G4VK93_SCHMA Loading...

mRNA m(6)A methyltransferase

AlphaFold DB , UniProt , Accession G4VK93, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 630 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.8	Very low	39.4	Very low	244 Å²	244	139.6 Å²	139.6	100%	1.202	83%	0.83	S	S	*	*				0	97.5	0	-79.2	-174.2	149.5	0	0	108.8
2	S	38.5	Very low	39.8	Very low	110 Å²	110	138.9 Å²	138.9	77%	0.769	82%	0.817	S	S	*	*			trans	-176	96.8	158.1	44.7	0	0	0	0	106.3	N4	S2-N4 PolarHBondContact O-N 3.29Å; S2-N4 VanDerWaalsContact O-N 3.14Å
3	H	39.3	Very low	40.3	Very low	192 Å²	192	141.5 Å²	141.5	89%	0.889	82%	0.816	S	S	*	*			trans	-68.9	105	175.1	-78.1	-81.3	0	0	0	108.4
4	N	37.7	Very low	41	Very low	149 Å²	149	138.1 Å²	138.1	80%	0.797	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-71.2	127.9	165.9	-88	-19.5	0	0	0	108.5	S2	S2-N4 PolarHBondContact O-N 3.29Å; S2-N4 VanDerWaalsContact O-N 3.14Å
5	P	44.9	Very low	42.6	Very low	117 Å²	117	133.7 Å²	133.7	76%	0.76	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-69.3	136.4	-176.1	27.5	-31.6	0	0	0	110.3
6	A	41.8	Very low	43.8	Very low	91 Å²	91	129.8 Å²	129.8	75%	0.752	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-61.3	136.8	179.9	0	0	0	0	0	110.7	T8	A6-T8 PolarHBondContact O-N 3.49Å
7	P	41.1	Very low	45	Very low	127 Å²	127	128.6 Å²	128.6	83%	0.825	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-69	127.7	-177.6	26.8	-31.2	0	0	0	110.3
8	T	37.2	Very low	46.7	Very low	127 Å²	127	126.9 Å²	126.9	78%	0.779	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-62.1	127.5	169.9	35.3	0	0	0	0	109.2	A6 V10	A6-T8 PolarHBondContact O-N 3.49Å; T8-V10 PolarHBondContact O-N 3.46Å
9	P	38.6	Very low	48	Very low	118 Å²	118	124.3 Å²	124.3	77%	0.766	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-68.1	119.5	-178.3	26.3	-30.2	0	0	0	108.7	T11	P9-T11 PolarHBondContact O-N 3.23Å; P9-T11 VanDerWaalsContact O-N 3.07Å
10	V	37.1	Very low	48.9	Very low	125 Å²	125	121.8 Å²	121.8	76%	0.758	71%	0.714	S	S	*	*			trans	-62.7	108.1	167.6	179.8	0	0	0	0	106.4	T8 I12	T8-V10 PolarHBondContact O-N 3.46Å; V10-I12 HydrophobicContact CG1-CG1 4.29Å; V10-I12 PolarHBondContact O-N 3.45Å
11	T	40	Very low	50.1	Low	136 Å²	136	122.2 Å²	122.2	83%	0.834	71%	0.71	S	S	*	*			trans	-64.4	89.1	167.8	2.9	0	0	0	0	107.1	P9 E13	P9-T11 PolarHBondContact O-N 3.23Å; P9-T11 VanDerWaalsContact O-N 3.07Å; T11-E13 PolarHBondContact O-N 3.25Å; T11-E13 VanDerWaalsContact O-N 3.16Å
12	I	43.9	Very low	51.6	Low	131 Å²	131	113 Å²	113	67%	0.672	67%	0.672	S	S	*	*			trans	-64.1	114.6	167.5	-62.1	174.5	0	0	0	105.3	V10 N14	V10-I12 HydrophobicContact CG1-CG1 4.29Å; V10-I12 PolarHBondContact O-N 3.45Å; I12-N14 VanDerWaalsContact C-N 3.34Å; I12-N14 PolarHBondContact O-N 3.36Å
13	E	46.6	Very low	53.1	Low	172 Å²	172	110.3 Å²	110.3	80%	0.804	66%	0.656	S	S	*	*			trans	-55.9	95.2	175.2	-75	-179.9	142.4	0	0	109.5	T11 S15	T11-E13 PolarHBondContact O-N 3.25Å; T11-E13 VanDerWaalsContact O-N 3.16Å; E13-S15 PolarHBondContact O-N 3.44Å
14	N	49.9	Very low	54.6	Low	94 Å²	94	107.2 Å²	107.2	50%	0.503	64%	0.64	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.5	22.1	171.9	-79	-28	0	0	0	112.6	I12 A16 L17 D18	I12-N14 VanDerWaalsContact C-N 3.34Å; I12-N14 PolarHBondContact O-N 3.36Å; N14-A16 PolarHBondContact O-N 3.4Å; N14-L17 PolarHBondContact O-N 3.33Å; N14-D18 PolarHBondContact O-N 3.11Å
15	S	64.5	Low	56.2	Low	73 Å²	73	102.9 Å²	102.9	51%	0.51	63%	0.625	S	S	.	*	H	α-helix	trans	-56.8	-29.8	-171.9	78.9	0	0	0	0	112.6	E13 S19	E13-S15 PolarHBondContact O-N 3.44Å; S15-S19 VanDerWaalsContact O-CB 3.23Å; S15-S19 WeakPolarHBondContact O-CB 3.4Å; S15-S19 PolarHBondContact O-N 3.08Å; S15-S19 PolarHBondContact O-OG 3.3Å
16	A	61.8	Low	57.6	Low	70 Å²	70	104.8 Å²	104.8	58%	0.579	62%	0.621	S	S	*	*	H	α-helix	trans	-70.5	-42.9	176.5	0	0	0	0	0	113	N14 S19 V20	N14-A16 PolarHBondContact O-N 3.4Å; A16-S19 PolarHBondContact O-N 3.47Å; A16-V20 VanDerWaalsContact O-CG2 3.3Å; A16-V20 WeakPolarHBondContact O-CG2 3.28Å; A16-V20 PolarHBondContact O-N 3.41Å; A16-V20 VanDerWaalsContact O-N 3.07Å
17	L	65.3	Low	59	Low	111 Å²	111	106.4 Å²	106.4	58%	0.581	61%	0.613	S	S	*	*	H	α-helix	trans	-69.9	-42.2	177.7	-83.3	164.6	0	0	0	111	N14 S19 V20 E21	N14-L17 PolarHBondContact O-N 3.33Å; L17-S19 VanDerWaalsContact C-N 3.27Å; L17-S19 PolarHBondContact O-N 3.09Å; L17-V20 WeakPolarHBondContact O-CB 3.45Å; L17-V20 PolarHBondContact O-N 3.27Å; L17-E21 PolarHBondContact O-N 3.08Å
18	D	74.6	Confident	60.3	Low	98 Å²	98	105.1 Å²	105.1	52%	0.524	60%	0.6	S	S	.	*	H	α-helix	trans	-61.6	-38.1	175.4	-65.5	-18	0	0	0	111.1	N14 V20 E21 A22	N14-D18 PolarHBondContact O-N 3.11Å; D18-V20 VanDerWaalsContact C-N 3.35Å; D18-V20 PolarHBondContact O-N 3.23Å; D18-E21 PolarHBondContact O-N 2.92Å; D18-A22 WeakPolarHBondContact O-CB 3.36Å; D18-A22 PolarHBondContact O-N 3.32Å
19	S	71.6	Confident	62.4	Low	76 Å²	76	101.5 Å²	101.5	53%	0.531	58%	0.58	S	S	.	*	H	α-helix	trans	-64.5	-37.7	174	-64.8	0	0	0	0	112.4	S15 A16 L17 A23	S15-S19 VanDerWaalsContact O-CB 3.23Å; S15-S19 WeakPolarHBondContact O-CB 3.4Å; S15-S19 PolarHBondContact O-N 3.08Å; S15-S19 PolarHBondContact O-OG 3.3Å; A16-S19 PolarHBondContact O-N 3.47Å; L17-S19 VanDerWaalsContact C-N 3.27Å; L17-S19 PolarHBondContact O-N 3.09Å; S19-A23 WeakPolarHBondContact O-CB 3.29Å; S19-A23 PolarHBondContact O-N 3.5Å
20	V	66.4	Low	64.1	Low	74 Å²	74	100.1 Å²	100.1	45%	0.448	57%	0.565	S	S	.	*	H	α-helix	trans	-70	-43.1	176.8	170.4	0	0	0	0	111.3	A16 L17 D18 A23 K24	A16-V20 VanDerWaalsContact O-CG2 3.3Å; A16-V20 WeakPolarHBondContact O-CG2 3.28Å; A16-V20 PolarHBondContact O-N 3.41Å; A16-V20 VanDerWaalsContact O-N 3.07Å; L17-V20 WeakPolarHBondContact O-CB 3.45Å; L17-V20 PolarHBondContact O-N 3.27Å; D18-V20 VanDerWaalsContact C-N 3.35Å; D18-V20 PolarHBondContact O-N 3.23Å; V20-A23 PolarHBondContact O-N 3.49Å; V20-K24 PolarHBondContact O-N 3.27Å
21	E	73.3	Confident	65.8	Low	132 Å²	132	103.4 Å²	103.4	62%	0.617	56%	0.564	S	S	*	*	H	α-helix	trans	-66.2	-40.4	175.5	-81.7	-172.9	158.4	0	0	112	L17 D18 A23 K24 A25	L17-E21 PolarHBondContact O-N 3.08Å; D18-E21 PolarHBondContact O-N 2.92Å; E21-A23 VanDerWaalsContact C-N 3.3Å; E21-A23 PolarHBondContact O-N 3.45Å; E21-K24 PolarHBondContact O-N 3.49Å; E21-A25 WeakPolarHBondContact O-CB 3.45Å; E21-A25 PolarHBondContact O-N 3.48Å
22	A	70.6	Confident	67.5	Low	51 Å²	51	103.7 Å²	103.7	42%	0.421	56%	0.556	S	S	.	*	H	α-helix	trans	-61.3	-37.8	173.3	0	0	0	0	0	112.2	D18 K26	D18-A22 WeakPolarHBondContact O-CB 3.36Å; D18-A22 PolarHBondContact O-N 3.32Å; A22-K26 WeakPolarHBondContact O-CG 3.49Å; A22-K26 PolarHBondContact O-N 3.09Å
23	A	69.4	Low	68.8	Low	52 Å²	52	105 Å²	105	43%	0.43	55%	0.552	S	S	.	*	H	α-helix	trans	-66.4	-43	174.8	0	0	0	0	0	112.1	S19 V20 E21 K26 Q27	S19-A23 WeakPolarHBondContact O-CB 3.29Å; S19-A23 PolarHBondContact O-N 3.5Å; V20-A23 PolarHBondContact O-N 3.49Å; E21-A23 VanDerWaalsContact C-N 3.3Å; E21-A23 PolarHBondContact O-N 3.45Å; A23-K26 PolarHBondContact O-N 2.97Å; A23-Q27 PolarHBondContact O-N 3.39Å; A23-Q27 VanDerWaalsContact O-N 3.08Å
24	K	70.7	Confident	70.3	Confident	127 Å²	127	100.9 Å²	100.9	55%	0.552	54%	0.536	S	S	*	.	H	α-helix	trans	-63.2	-43.2	174.8	-74.3	177.2	-179.3	174.3	0	111.9	V20 E21 Q27 N28	V20-K24 PolarHBondContact O-N 3.27Å; E21-K24 PolarHBondContact O-N 3.49Å; K24-Q27 WeakPolarHBondContact O-CB 3.39Å; K24-Q27 PolarHBondContact O-N 2.9Å; K24-N28 PolarHBondContact O-N 3.08Å
25	A	70.9	Confident	71.6	Confident	58 Å²	58	98.7 Å²	98.7	48%	0.479	53%	0.53	S	S	.	.	H	α-helix	trans	-62.4	-43.2	177.6	0	0	0	0	0	112	E21 Q27 N28 S29	E21-A25 WeakPolarHBondContact O-CB 3.45Å; E21-A25 PolarHBondContact O-N 3.48Å; A25-Q27 VanDerWaalsContact C-N 3.3Å; A25-Q27 PolarHBondContact O-N 2.93Å; A25-N28 PolarHBondContact O-N 3.36Å; A25-S29 PolarHBondContact O-N 3.28Å
26	K	75.1	Confident	72	Confident	157 Å²	157	97.6 Å²	97.6	68%	0.683	53%	0.526	S	S	*	.	H	α-helix	trans	-61	-37.9	173.6	-78.6	179	-179.9	177.1	0	112.4	A22 A23 L30	A22-K26 WeakPolarHBondContact O-CG 3.49Å; A22-K26 PolarHBondContact O-N 3.09Å; A23-K26 PolarHBondContact O-N 2.97Å; K26-L30 PolarHBondContact O-N 3.03Å
27	Q	70	Confident	72.5	Confident	125 Å²	125	101.2 Å²	101.2	58%	0.584	53%	0.525	S	S	*	.	H	α-helix	trans	-67.8	-41.9	178.1	-166.9	176.5	0.2	0	0	112.1	A23 K24 A25 L30 R31	A23-Q27 PolarHBondContact O-N 3.39Å; A23-Q27 VanDerWaalsContact O-N 3.08Å; K24-Q27 WeakPolarHBondContact O-CB 3.39Å; K24-Q27 PolarHBondContact O-N 2.9Å; A25-Q27 VanDerWaalsContact C-N 3.3Å; A25-Q27 PolarHBondContact O-N 2.93Å; Q27-L30 PolarHBondContact O-N 2.93Å; Q27-R31 WeakPolarHBondContact O-CB 3.45Å; Q27-R31 PolarHBondContact O-N 3.41Å
28	N	69.2	Low	72.8	Confident	100 Å²	100	104.9 Å²	104.9	54%	0.535	53%	0.531	S	S	.	.	H	α-helix	trans	-63.2	-44.5	175.3	-73.3	-13	0	0	0	111.5	K24 A25 L30 R31 E32	K24-N28 PolarHBondContact O-N 3.08Å; A25-N28 PolarHBondContact O-N 3.36Å; N28-L30 PolarHBondContact O-N 3.47Å; N28-R31 PolarHBondContact O-N 3.31Å; N28-R31 VanDerWaalsContact O-N 3.17Å; N28-E32 PolarHBondContact O-N 2.91Å
29	S	80.3	Confident	72.8	Confident	52 Å²	52	107.1 Å²	107.1	36%	0.364	54%	0.538	S	S	.	.	H	α-helix	trans	-62.1	-38.3	175.8	176.2	0	0	0	0	113.1	A25 R33	A25-S29 PolarHBondContact O-N 3.28Å; S29-R33 WeakPolarHBondContact O-CG 3.42Å; S29-R33 PolarHBondContact O-N 3.27Å; S29-R33 PolarHBondContact O-NE 3.32Å
30	L	74.5	Confident	72.5	Confident	88 Å²	88	109 Å²	109	46%	0.461	54%	0.542	S	S	.	.	H	α-helix	trans	-65	-42.6	173.9	-175	68.4	0	0	0	111.5	K26 Q27 N28 E32 R33 L34	K26-L30 PolarHBondContact O-N 3.03Å; Q27-L30 PolarHBondContact O-N 2.93Å; N28-L30 PolarHBondContact O-N 3.47Å; L30-E32 VanDerWaalsContact C-N 3.35Å; L30-E32 PolarHBondContact O-N 3.35Å; L30-R33 PolarHBondContact O-N 3.33Å; L30-L34 HydrophobicContact CG-CD1 4.2Å; L30-L34 WeakPolarHBondContact O-CG 3.5Å; L30-L34 PolarHBondContact O-N 3.39Å
31	R	72.5	Confident	72.2	Confident	194 Å²	194	110.7 Å²	110.7	73%	0.732	55%	0.548	S	S	*	.	H	α-helix	trans	-63.6	-40.5	179.7	-157	178.1	-173.2	178.6	1.1	111.7	Q27 N28 L34 A35	Q27-R31 WeakPolarHBondContact O-CB 3.45Å; Q27-R31 PolarHBondContact O-N 3.41Å; N28-R31 PolarHBondContact O-N 3.31Å; N28-R31 VanDerWaalsContact O-N 3.17Å; R31-L34 PolarHBondContact O-N 3.41Å; R31-A35 WeakPolarHBondContact O-CB 3.5Å; R31-A35 PolarHBondContact O-N 2.94Å
32	E	76.5	Confident	71.6	Confident	143 Å²	143	106.6 Å²	106.6	67%	0.668	54%	0.536	S	S	*	.	H	α-helix	trans	-63.8	-45.3	173	-78.1	179.2	167.4	0	0	112.3	N28 L30 L34 A35 A36	N28-E32 PolarHBondContact O-N 2.91Å; L30-E32 VanDerWaalsContact C-N 3.35Å; L30-E32 PolarHBondContact O-N 3.35Å; E32-L34 VanDerWaalsContact C-N 3.33Å; E32-L34 PolarHBondContact O-N 2.99Å; E32-A35 PolarHBondContact O-N 3.08Å; E32-A36 WeakPolarHBondContact O-CB 3.09Å; E32-A36 PolarHBondContact O-N 3.22Å
33	R	72.4	Confident	71	Confident	157 Å²	157	107.6 Å²	107.6	59%	0.592	54%	0.54	S	S	*	.	H	α-helix	trans	-61.7	-39.7	176.8	-74.7	-177.3	-65.9	-176.1	4.6	112.7	S29 L30 A36 R37	S29-R33 WeakPolarHBondContact O-CG 3.42Å; S29-R33 PolarHBondContact O-N 3.27Å; S29-R33 PolarHBondContact O-NE 3.32Å; L30-R33 PolarHBondContact O-N 3.33Å; R33-A36 PolarHBondContact O-N 3.28Å; R33-R37 WeakPolarHBondContact O-CB 3.34Å; R33-R37 PolarHBondContact O-N 3.28Å
34	L	76.6	Confident	70.2	Confident	87 Å²	87	110.2 Å²	110.2	46%	0.455	55%	0.551	S	S	.	*	H	α-helix	trans	-68.1	-37.3	175.2	-70.8	172.4	0	0	0	112.1	L30 R31 E32 R37 R38	L30-L34 HydrophobicContact CG-CD1 4.2Å; L30-L34 WeakPolarHBondContact O-CG 3.5Å; L30-L34 PolarHBondContact O-N 3.39Å; R31-L34 PolarHBondContact O-N 3.41Å; E32-L34 VanDerWaalsContact C-N 3.33Å; E32-L34 PolarHBondContact O-N 2.99Å; L34-R37 PolarHBondContact O-N 3.32Å; L34-R38 WeakPolarHBondContact O-CG 3.38Å; L34-R38 PolarHBondContact O-N 2.92Å
35	A	78.2	Confident	69	Low	47 Å²	47	108.9 Å²	108.9	39%	0.388	55%	0.553	S	S	.	*	H	α-helix	trans	-65.1	-44.1	174.5	0	0	0	0	0	111.6	R31 E32 R37 R38 Q39	R31-A35 WeakPolarHBondContact O-CB 3.5Å; R31-A35 PolarHBondContact O-N 2.94Å; E32-A35 PolarHBondContact O-N 3.08Å; A35-R37 PolarHBondContact O-N 3.48Å; A35-R38 PolarHBondContact O-N 3.3Å; A35-Q39 PolarHBondContact O-N 3.4Å
36	A	72.5	Confident	67.4	Low	51 Å²	51	113.6 Å²	113.6	42%	0.421	57%	0.565	S	S	.	*	H	α-helix	trans	-61.6	-42.1	174.9	0	0	0	0	0	111.9	E32 R33 R38 Q39 L40	E32-A36 WeakPolarHBondContact O-CB 3.09Å; E32-A36 PolarHBondContact O-N 3.22Å; R33-A36 PolarHBondContact O-N 3.28Å; A36-R38 PolarHBondContact O-N 3.12Å; A36-Q39 PolarHBondContact O-N 3.07Å; A36-L40 PolarHBondContact O-N 3.01Å
37	R	71.8	Confident	65.4	Low	145 Å²	145	111.2 Å²	111.2	55%	0.547	57%	0.568	S	S	.	*	H	α-helix	trans	-63.9	-38.8	175.9	-169.7	168.4	178.9	167	-3.8	112.1	R33 L34 A35 L40 L41 E233	R33-R37 WeakPolarHBondContact O-CB 3.34Å; R33-R37 PolarHBondContact O-N 3.28Å; L34-R37 PolarHBondContact O-N 3.32Å; A35-R37 PolarHBondContact O-N 3.48Å; R37-L40 PolarHBondContact O-N 3.4Å; R37-L41 HydrophobicContact CG-CD1 4.37Å; R37-L41 WeakPolarHBondContact O-CG 3.38Å; R37-L41 PolarHBondContact O-N 3.03Å; R37-E233 IonicContact NH2-OE1 3.87Å; R37-E233 PolarHBondContact NH2-OE1 3.44Å
38	R	72.6	Confident	63.7	Low	188 Å²	188	111.1 Å²	111.1	71%	0.709	58%	0.576	S	S	*	*	H	α-helix	trans	-63.9	-39.9	174.3	-75.4	174.9	-178.7	165.3	0.6	112.4	L34 A35 A36 L41 A42	L34-R38 WeakPolarHBondContact O-CG 3.38Å; L34-R38 PolarHBondContact O-N 2.92Å; A35-R38 PolarHBondContact O-N 3.3Å; A36-R38 PolarHBondContact O-N 3.12Å; R38-L41 PolarHBondContact O-N 2.96Å; R38-A42 WeakPolarHBondContact O-CB 3.24Å; R38-A42 PolarHBondContact O-N 2.82Å
39	Q	73.6	Confident	61.9	Low	146 Å²	146	115.9 Å²	115.9	68%	0.682	59%	0.592	S	S	*	*	H	α-helix	trans	-66.2	-39.6	176.5	-73.4	179	-11.6	0	0	112.1	A35 A36 A42 S43	A35-Q39 PolarHBondContact O-N 3.4Å; A36-Q39 PolarHBondContact O-N 3.07Å; Q39-A42 PolarHBondContact O-N 3.1Å; Q39-S43 PolarHBondContact O-N 2.9Å
40	L	65.8	Low	59.4	Low	115 Å²	115	119.8 Å²	119.8	60%	0.602	61%	0.614	S	S	*	*	H	α-helix	trans	-62.6	-41.4	173.7	-107.8	157.3	0	0	0	112.5	A36 R37 S43 V44	A36-L40 PolarHBondContact O-N 3.01Å; R37-L40 PolarHBondContact O-N 3.4Å; L40-S43 PolarHBondContact O-N 2.87Å; L40-S43 PolarHBondContact O-OG 3.35Å; L40-V44 WeakPolarHBondContact O-CG2 3.46Å; L40-V44 PolarHBondContact O-N 2.88Å
41	L	59	Low	57.2	Low	110 Å²	110	120.8 Å²	120.8	58%	0.576	63%	0.628	S	S	*	*	H	α-helix	trans	-69.1	-34.9	176.8	-71.1	167.7	0	0	0	112.4	R37 R38 V44 T45	R37-L41 HydrophobicContact CG-CD1 4.37Å; R37-L41 WeakPolarHBondContact O-CG 3.38Å; R37-L41 PolarHBondContact O-N 3.03Å; R38-L41 PolarHBondContact O-N 2.96Å; L41-V44 PolarHBondContact O-N 2.77Å; L41-T45 PolarHBondContact O-N 3.32Å; L41-T45 PolarHBondContact O-OG1 3.24Å
42	A	61.9	Low	55.1	Low	45 Å²	45	116.6 Å²	116.6	37%	0.372	63%	0.629	S	S	.	*	H	α-helix	trans	-67.3	-34.9	175.4	0	0	0	0	0	112.2	R38 Q39 T45 H46	R38-A42 WeakPolarHBondContact O-CB 3.24Å; R38-A42 PolarHBondContact O-N 2.82Å; Q39-A42 PolarHBondContact O-N 3.1Å; A42-T45 PolarHBondContact O-OG1 3.39Å; A42-T45 VanDerWaalsContact O-OG1 3.1Å; A42-H46 PolarHBondContact O-CD2 3.35Å; A42-H46 VanDerWaalsContact O-CD2 3.28Å
43	S	58.2	Low	52.7	Low	73 Å²	73	114.9 Å²	114.9	51%	0.51	63%	0.633	S	S	.	*	H	α-helix	trans	-72.8	-30.3	178	65.3	0	0	0	0	113	Q39 L40 T45	Q39-S43 PolarHBondContact O-N 2.9Å; L40-S43 PolarHBondContact O-N 2.87Å; L40-S43 PolarHBondContact O-OG 3.35Å; S43-T45 VanDerWaalsContact C-N 3.33Å; S43-T45 PolarHBondContact O-N 2.99Å
44	V	51.3	Low	50.7	Low	107 Å²	107	113.3 Å²	113.3	65%	0.648	65%	0.646	S	S	*	*	H	α-helix	trans	-70.4	-29.4	177.2	174.8	0	0	0	0	112.2	L40 L41 H46	L40-V44 WeakPolarHBondContact O-CG2 3.46Å; L40-V44 PolarHBondContact O-N 2.88Å; L41-V44 PolarHBondContact O-N 2.77Å; V44-H46 PolarHBondContact O-N 3.02Å
45	T	45.3	Very low	48.3	Very low	98 Å²	98	113.5 Å²	113.5	60%	0.601	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-7.1	-174.8	48.7	0	0	0	0	114.7	L41 A42 S43	L41-T45 PolarHBondContact O-N 3.32Å; L41-T45 PolarHBondContact O-OG1 3.24Å; A42-T45 PolarHBondContact O-OG1 3.39Å; A42-T45 VanDerWaalsContact O-OG1 3.1Å; S43-T45 VanDerWaalsContact C-N 3.33Å; S43-T45 PolarHBondContact O-N 2.99Å
46	H	38.1	Very low	45.8	Very low	158 Å²	158	118.7 Å²	118.7	73%	0.731	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	1.8	-178	-81.5	-56.3	0	0	0	116	A42 V44	A42-H46 PolarHBondContact O-CD2 3.35Å; A42-H46 VanDerWaalsContact O-CD2 3.28Å; V44-H46 PolarHBondContact O-N 3.02Å
47	S	33.6	Very low	43.7	Very low	106 Å²	106	123.2 Å²	123.2	74%	0.741	70%	0.696	S	S	*	*	S	Bend	trans	-93.5	5.6	-177.5	-69.4	0	0	0	0	116.3
48	T	34.5	Very low	41.5	Very low	123 Å²	123	122.6 Å²	122.6	76%	0.755	71%	0.709	S	S	*	*			trans	-139.2	75.1	-178.8	49.9	0	0	0	0	112.9
49	K	31	Very low	39.3	Very low	201 Å²	201	121.1 Å²	121.1	87%	0.874	72%	0.715	S	S	*	*			trans	-134.6	92	161.2	-80.2	-171.9	177.9	176.9	0	111
50	T	28.4	Very low	37.1	Very low	133 Å²	133	122 Å²	122	82%	0.816	72%	0.724	S	S	*	*			trans	-123.6	127	150.1	52.5	0	0	0	0	108.9
51	S	27.9	Very low	35.3	Very low	110 Å²	110	121.7 Å²	121.7	77%	0.769	73%	0.732	S	S	*	*			trans	78.8	128.3	147.7	-48.3	0	0	0	0	121.3
52	S	28	Very low	33.8	Very low	106 Å²	106	122.2 Å²	122.2	74%	0.741	75%	0.745	S	S	*	*			trans	76.5	94	149.6	45	0	0	0	0	120.8
53	S	25.8	Very low	32.2	Very low	107 Å²	107	125.9 Å²	125.9	75%	0.748	76%	0.763	S	S	*	*				47.3	111	117.2	59.4	0	0	0	0	119.8
54	S	30.2	Very low	30.6	Very low	124 Å²	124	126 Å²	126	87%	0.867	78%	0.776	S	S	*	*				-168.7	130	112.9	5	0	0	0	0	109.9
55	A	27.3	Very low	29.5	Very low	91 Å²	91	130.9 Å²	130.9	75%	0.752	79%	0.789	S	S	*	*			trans	-66.6	146.8	168.1	0	0	0	0	0	110
56	L	25.3	Very low	28.5	Very low	155 Å²	155	129.6 Å²	129.6	81%	0.812	80%	0.795	S	S	*	*			trans	177.4	132.3	134.6	-94	160.9	0	0	0	111.9
57	L	27.7	Very low	27.9	Very low	147 Å²	147	126.5 Å²	126.5	77%	0.77	79%	0.791	S	S	*	*			trans	81.3	92.2	150.1	-58	167.5	0	0	0	119.5	N59	L57-N59 PolarHBondContact O-N 2.88Å
58	T	26	Very low	27.5	Very low	132 Å²	132	128.8 Å²	128.8	81%	0.81	79%	0.793	S	S	*	*			trans	-66.8	110.7	154.6	49.7	0	0	0	0	110.8
59	N	26.5	Very low	27.1	Very low	156 Å²	156	129.6 Å²	129.6	83%	0.834	79%	0.793	S	S	*	*			trans	-107.5	98.9	163	-98.1	-10.6	0	0	0	109	L57 S61	L57-N59 PolarHBondContact O-N 2.88Å; N59-S61 PolarHBondContact O-N 2.86Å
60	N	26.9	Very low	26.8	Very low	165 Å²	165	130.3 Å²	130.3	88%	0.882	79%	0.79	S	S	*	*			trans	-82.5	97.1	167.1	-88.1	-16.4	0	0	0	108.6
61	S	28.1	Very low	26.8	Very low	108 Å²	108	130 Å²	130	76%	0.755	79%	0.791	S	S	*	*			trans	-98.2	101.4	164.4	55.5	0	0	0	0	109.2	N59 T63	N59-S61 PolarHBondContact O-N 2.86Å; S61-T63 PolarHBondContact O-N 2.92Å
62	S	27.9	Very low	26.8	Very low	121 Å²	121	134.1 Å²	134.1	85%	0.846	80%	0.795	S	S	*	*			trans	-65.9	110.4	170.3	51.8	0	0	0	0	110.4	G64	S62-G64 PolarHBondContact O-N 3.42Å
63	T	29.2	Very low	26.8	Very low	122 Å²	122	135.8 Å²	135.8	75%	0.748	80%	0.795	S	S	*	*			trans	-75.3	109.6	171.4	46.8	0	0	0	0	109.8	S61	S61-T63 PolarHBondContact O-N 2.92Å
64	G	24.5	Very low	27	Very low	77 Å²	77	136.4 Å²	136.4	79%	0.794	79%	0.794	S	S	*	*			trans	-66.8	126.4	173.9	0	0	0	0	0	111.8	S62 G66	S62-G64 PolarHBondContact O-N 3.42Å; G64-G66 PolarHBondContact O-N 3.42Å
65	F	27.2	Very low	26.9	Very low	208 Å²	208	137.5 Å²	137.5	91%	0.912	79%	0.791	S	S	*	*			trans	-72.8	110.1	167	-86.5	-93.1	0	0	0	109.1	S67	F65-S67 PolarHBondContact O-N 3.32Å
66	G	25	Very low	27.2	Very low	71 Å²	71	140.5 Å²	140.5	73%	0.732	79%	0.789	S	S	*	*			trans	-67.7	113.2	173.6	0	0	0	0	0	111.3	G64 I68	G64-G66 PolarHBondContact O-N 3.42Å; G66-I68 PolarHBondContact O-N 2.74Å
67	S	24.5	Very low	27.8	Very low	94 Å²	94	137.9 Å²	137.9	66%	0.657	78%	0.781	S	S	*	*			trans	-75.3	96.7	172.3	-173	0	0	0	0	110	F65 N69	F65-S67 PolarHBondContact O-N 3.32Å; S67-N69 VanDerWaalsContact C-N 3.33Å; S67-N69 PolarHBondContact O-N 2.76Å; S67-N69 VanDerWaalsContact O-N 3.12Å; S67-N69 PolarHBondContact OG-ND2 3.3Å
68	I	26	Very low	28.6	Very low	153 Å²	153	136 Å²	136	79%	0.785	78%	0.776	S	S	*	*			trans	-81.1	84.7	167.7	-60.9	174.8	0	0	0	107.9	G66 R70	G66-I68 PolarHBondContact O-N 2.74Å; I68-R70 PolarHBondContact O-N 2.62Å
69	N	25.4	Very low	29.5	Very low	140 Å²	140	134.7 Å²	134.7	75%	0.749	77%	0.768	S	S	*	*			trans	-87.2	94.4	163.4	-79	-36.1	0	0	0	108.2	S67	S67-N69 VanDerWaalsContact C-N 3.33Å; S67-N69 PolarHBondContact O-N 2.76Å; S67-N69 VanDerWaalsContact O-N 3.12Å; S67-N69 PolarHBondContact OG-ND2 3.3Å
70	R	26	Very low	30.4	Very low	217 Å²	217	129.7 Å²	129.7	82%	0.819	75%	0.745	S	S	*	*			trans	-101.3	113.2	159.3	-83.3	-169	-179.5	-151.7	1.5	108.3	I68 F72	I68-R70 PolarHBondContact O-N 2.62Å; R70-F72 PolarHBondContact O-N 3.36Å
71	P	27.1	Very low	31.5	Very low	126 Å²	126	126.1 Å²	126.1	82%	0.818	73%	0.729	S	S	*	*			trans	-73.5	115.5	178.5	29.2	-29.8	0	0	0	108.8	N73	P71-N73 PolarHBondContact O-N 3.48Å
72	F	27.3	Very low	32.4	Very low	196 Å²	196	126 Å²	126	86%	0.86	72%	0.719	S	S	*	*			trans	-70.2	110.7	168.6	-104.2	-93.7	0	0	0	108.5	R70 V74	R70-F72 PolarHBondContact O-N 3.36Å; F72-V74 PolarHBondContact O-N 2.85Å
73	N	28.1	Very low	33.3	Very low	141 Å²	141	125 Å²	125	75%	0.754	70%	0.701	S	S	*	*			trans	-75.7	98.3	176.2	-170.2	-7.3	0	0	0	109.2	P71 N75	P71-N73 PolarHBondContact O-N 3.48Å; N73-N75 PolarHBondContact O-N 3.26Å
74	V	30.6	Very low	34.3	Very low	120 Å²	120	123.3 Å²	123.3	73%	0.727	69%	0.687	S	S	*	*			trans	-84	91.1	176.3	-180	0	0	0	0	108.1	F72	F72-V74 PolarHBondContact O-N 2.85Å
75	N	29.1	Very low	35.7	Very low	147 Å²	147	121.9 Å²	121.9	79%	0.786	67%	0.668	S	S	*	*			trans	-153.1	43.3	169	-89	-35	0	0	0	112.2	N73	N73-N75 PolarHBondContact O-N 3.26Å
76	Q	32.9	Very low	36.6	Very low	155 Å²	155	116.7 Å²	116.7	72%	0.724	65%	0.649	S	S	*	*	S	Bend	trans	-127.8	136	160.9	-79.4	-169.2	-4.7	0	0	110.2	T78	Q76-T78 PolarHBondContact O-N 3.25Å; Q76-T78 VanDerWaalsContact O-N 3.1Å
77	P	38.4	Very low	37.9	Very low	99 Å²	99	119.2 Å²	119.2	64%	0.643	64%	0.64	S	S	*	*			trans	-63.4	117.3	-175.6	-12.6	26.3	0	0	0	109.1	V79 S80	P77-V79 PolarHBondContact O-N 3.08Å; P77-S80 PolarHBondContact O-N 3.34Å; P77-S80 VanDerWaalsContact O-N 3.17Å; P77-S80 PolarHBondContact O-OG 3.4Å
78	T	44	Very low	39.2	Very low	109 Å²	109	123 Å²	123	67%	0.669	64%	0.64	S	S	*	*	H	α-helix	trans	-54	-15.9	-177.4	37.8	0	0	0	0	114.4	Q76	Q76-T78 PolarHBondContact O-N 3.25Å; Q76-T78 VanDerWaalsContact O-N 3.1Å
79	V	44.1	Very low	40.2	Very low	103 Å²	103	123.1 Å²	123.1	62%	0.624	64%	0.635	S	S	*	*	H	α-helix	trans	-65.8	-40.4	177.8	-175.1	0	0	0	0	112.2	P77 V81 I82 E83	P77-V79 PolarHBondContact O-N 3.08Å; V79-V81 PolarHBondContact O-N 3.02Å; V79-I82 PolarHBondContact O-N 3.03Å; V79-E83 PolarHBondContact O-N 3.4Å; V79-E83 VanDerWaalsContact O-N 3.09Å
80	S	46.6	Very low	41.2	Very low	51 Å²	51	122.6 Å²	122.6	36%	0.357	63%	0.631	S	S	.	*	H	α-helix	trans	-72.4	-29.2	-175.3	69.2	0	0	0	0	113.2	P77 N84	P77-S80 PolarHBondContact O-N 3.34Å; P77-S80 VanDerWaalsContact O-N 3.17Å; P77-S80 PolarHBondContact O-OG 3.4Å; S80-N84 WeakPolarHBondContact O-CB 3.47Å; S80-N84 VanDerWaalsContact O-CG 3.3Å; S80-N84 PolarHBondContact O-N 3.4Å; S80-N84 PolarHBondContact O-ND2 3.48Å
81	V	49	Very low	42.3	Very low	90 Å²	90	116.3 Å²	116.3	55%	0.545	62%	0.621	S	S	.	*	H	α-helix	trans	-70	-40.8	177.6	-179.4	0	0	0	0	110.7	V79 A85	V79-V81 PolarHBondContact O-N 3.02Å; V81-A85 WeakPolarHBondContact O-CB 3.42Å; V81-A85 PolarHBondContact O-N 3.26Å
82	I	47.8	Very low	43.1	Very low	107 Å²	107	116.2 Å²	116.2	55%	0.549	61%	0.613	S	S	.	*	H	α-helix	trans	-69.2	-43.3	178.5	-64.7	172	0	0	0	110.3	V79 N84 A85 L86	V79-I82 PolarHBondContact O-N 3.03Å; I82-N84 PolarHBondContact O-N 3.47Å; I82-A85 PolarHBondContact O-N 3.01Å; I82-L86 HydrophobicContact CG2-CD1 3.98Å; I82-L86 PolarHBondContact O-N 3.16Å
83	E	46.4	Very low	43.6	Very low	99 Å²	99	112 Å²	112	46%	0.463	60%	0.599	S	S	.	*	H	α-helix	trans	-64.9	-40.8	179.7	-149.7	-165.2	144.1	0	0	112	V79 A85 L86 K87	V79-E83 PolarHBondContact O-N 3.4Å; V79-E83 VanDerWaalsContact O-N 3.09Å; E83-A85 VanDerWaalsContact C-N 3.32Å; E83-A85 PolarHBondContact O-N 2.99Å; E83-L86 PolarHBondContact O-N 3.33Å; E83-K87 WeakPolarHBondContact O-CB 3.25Å; E83-K87 PolarHBondContact O-N 2.68Å; E83-K87 IonicContact OE1-NZ 3.67Å; E83-K87 PolarHBondContact OE1-NZ 3.38Å
84	N	51.2	Low	43.8	Very low	86 Å²	86	113.3 Å²	113.3	46%	0.46	61%	0.606	S	S	.	*	H	α-helix	trans	-72.1	-24.5	175.9	-73.7	-24.6	0	0	0	113.3	S80 I82 R88	S80-N84 WeakPolarHBondContact O-CB 3.47Å; S80-N84 VanDerWaalsContact O-CG 3.3Å; S80-N84 PolarHBondContact O-N 3.4Å; S80-N84 PolarHBondContact O-ND2 3.48Å; I82-N84 PolarHBondContact O-N 3.47Å; N84-R88 WeakPolarHBondContact O-CG 3.3Å; N84-R88 PolarHBondContact O-N 3.42Å; N84-R88 PolarHBondContact O-NE 3.16Å; N84-R88 VanDerWaalsContact O-NE 3.14Å
85	A	52.7	Low	43.9	Very low	47 Å²	47	113.4 Å²	113.4	39%	0.388	60%	0.601	S	S	.	*	H	α-helix	trans	-75.3	-39.4	171.5	0	0	0	0	0	111.3	V81 I82 E83 R88 K89	V81-A85 WeakPolarHBondContact O-CB 3.42Å; V81-A85 PolarHBondContact O-N 3.26Å; I82-A85 PolarHBondContact O-N 3.01Å; E83-A85 VanDerWaalsContact C-N 3.32Å; E83-A85 PolarHBondContact O-N 2.99Å; A85-R88 PolarHBondContact O-N 3.25Å; A85-K89 PolarHBondContact O-N 3.41Å
86	L	46.5	Very low	43.9	Very low	100 Å²	100	112.2 Å²	112.2	52%	0.524	60%	0.6	S	S	.	*	H	α-helix	trans	-66.6	-43.9	174.6	-92.5	154.3	0	0	0	112	I82 E83 R88 K89 L90	I82-L86 HydrophobicContact CG2-CD1 3.98Å; I82-L86 PolarHBondContact O-N 3.16Å; E83-L86 PolarHBondContact O-N 3.33Å; L86-R88 VanDerWaalsContact C-N 3.32Å; L86-R88 PolarHBondContact O-N 3.42Å; L86-K89 PolarHBondContact O-N 3.06Å; L86-K89 VanDerWaalsContact O-N 3.14Å; L86-L90 WeakPolarHBondContact O-CB 3.34Å; L86-L90 WeakPolarHBondContact O-CD1 3.34Å; L86-L90 WeakPolarHBondContact O-CG 3.32Å; L86-L90 PolarHBondContact O-N 2.68Å
87	K	52.7	Low	43.8	Very low	124 Å²	124	110 Å²	110	54%	0.539	60%	0.602	S	S	.	*	H	α-helix	trans	-60.5	-38.9	175.2	-83.9	170.6	171.9	153.6	0	112.5	E83 L90 S91	E83-K87 WeakPolarHBondContact O-CB 3.25Å; E83-K87 PolarHBondContact O-N 2.68Å; E83-K87 IonicContact OE1-NZ 3.67Å; E83-K87 PolarHBondContact OE1-NZ 3.38Å; K87-L90 PolarHBondContact O-N 2.81Å; K87-S91 PolarHBondContact O-N 3.3Å
88	R	51.1	Low	43.4	Very low	172 Å²	172	111 Å²	111	65%	0.649	61%	0.606	S	S	*	*	H	α-helix	trans	-70.1	-30.5	174.9	-81.2	-175.8	-77.6	177	-5.8	113.6	N84 A85 L86 S91	N84-R88 WeakPolarHBondContact O-CG 3.3Å; N84-R88 PolarHBondContact O-N 3.42Å; N84-R88 PolarHBondContact O-NE 3.16Å; N84-R88 VanDerWaalsContact O-NE 3.14Å; A85-R88 PolarHBondContact O-N 3.25Å; L86-R88 VanDerWaalsContact C-N 3.32Å; L86-R88 PolarHBondContact O-N 3.42Å; R88-S91 PolarHBondContact O-OG 2.66Å; R88-S91 VanDerWaalsContact O-OG 3.1Å
89	K	47.9	Very low	42.7	Very low	157 Å²	157	111 Å²	111	68%	0.683	61%	0.61	S	S	*	*	H	α-helix	trans	-80.8	-23.7	176.4	-82.9	-77.7	-177.5	-178.7	0	113.2	A85 L86	A85-K89 PolarHBondContact O-N 3.41Å; L86-K89 PolarHBondContact O-N 3.06Å; L86-K89 VanDerWaalsContact O-N 3.14Å
90	L	45.7	Very low	42.1	Very low	129 Å²	129	111.7 Å²	111.7	68%	0.675	62%	0.619	S	S	*	*	H	α-helix	trans	-83.2	-21.6	178	-76.7	159.3	0	0	0	113.3	L86 K87 D92	L86-L90 WeakPolarHBondContact O-CB 3.34Å; L86-L90 WeakPolarHBondContact O-CD1 3.34Å; L86-L90 WeakPolarHBondContact O-CG 3.32Å; L86-L90 PolarHBondContact O-N 2.68Å; K87-L90 PolarHBondContact O-N 2.81Å; L90-D92 VanDerWaalsContact C-N 3.3Å
91	S	48.9	Very low	41.3	Very low	85 Å²	85	116 Å²	116	59%	0.594	64%	0.638	S	S	*	*	S	Bend	trans	-73.1	-22.2	173.6	58.2	0	0	0	0	113.8	K87 R88	K87-S91 PolarHBondContact O-N 3.3Å; R88-S91 PolarHBondContact O-OG 2.66Å; R88-S91 VanDerWaalsContact O-OG 3.1Å
92	D	44.2	Very low	40.4	Very low	124 Å²	124	117.9 Å²	117.9	66%	0.663	65%	0.65	S	S	*	*	S	Bend	trans	-94.8	-5.6	-170.3	-69	-0.1	0	0	0	113.5	L90	L90-D92 VanDerWaalsContact C-N 3.3Å
93	N	37.8	Very low	39.5	Very low	107 Å²	107	120.6 Å²	120.6	57%	0.572	67%	0.665	S	S	*	*			trans	-115.5	90.5	-178.3	-73	-12.6	0	0	0	110.7	I95	N93-I95 HydrophobicContact CB-CD1 4.3Å; N93-I95 HydrophobicContact CB-CG1 4.26Å; N93-I95 PolarHBondContact O-N 2.73Å
94	N	32.2	Very low	38.6	Very low	168 Å²	168	121.2 Å²	121.2	90%	0.898	68%	0.68	S	S	*	*			trans	-64.6	65.4	157.4	-89.2	-22.9	0	0	0	110.2
95	I	32.4	Very low	37.7	Very low	122 Å²	122	122.7 Å²	122.7	63%	0.626	69%	0.692	S	S	*	*			trans	-110.3	93.7	171.9	-59.6	177.5	0	0	0	107	N93	N93-I95 HydrophobicContact CB-CD1 4.3Å; N93-I95 HydrophobicContact CB-CG1 4.26Å; N93-I95 PolarHBondContact O-N 2.73Å
96	T	30.6	Very low	36.4	Very low	122 Å²	122	129.9 Å²	129.9	75%	0.748	71%	0.711	S	S	*	*			trans	-56.7	128.9	165.2	40.9	0	0	0	0	110.5
97	S	30.4	Very low	35.7	Very low	110 Å²	110	130 Å²	130	77%	0.769	72%	0.72	S	S	*	*			trans	53.2	99.3	159	63.2	0	0	0	0	117.6
98	V	29.2	Very low	34.4	Very low	120 Å²	120	132.2 Å²	132.2	73%	0.727	73%	0.732	S	S	*	*			trans	-114.4	103	153.8	-175.5	0	0	0	0	107.3	S100	V98-S100 PolarHBondContact O-N 3.46Å
99	S	30	Very low	33.6	Very low	108 Å²	108	128.1 Å²	128.1	76%	0.755	73%	0.73	S	S	*	*			trans	-58.1	118.5	172.5	-72.9	0	0	0	0	109.8	D101	S99-D101 VanDerWaalsContact C-N 3.33Å; S99-D101 PolarHBondContact O-N 3.24Å
100	S	31.6	Very low	32.6	Very low	117 Å²	117	128.3 Å²	128.3	82%	0.818	74%	0.738	S	S	*	*			trans	-92.7	64.8	176.6	-62.2	0	0	0	0	110.2	V98	V98-S100 PolarHBondContact O-N 3.46Å
101	D	29.1	Very low	31.8	Very low	141 Å²	141	129.1 Å²	129.1	75%	0.754	74%	0.742	S	S	*	*			trans	-106.6	94.2	167.3	-75.9	-23.1	0	0	0	108.1	S99	S99-D101 VanDerWaalsContact C-N 3.33Å; S99-D101 PolarHBondContact O-N 3.24Å
102	T	29.3	Very low	30.8	Very low	131 Å²	131	131.2 Å²	131.2	80%	0.804	75%	0.751	S	S	*	*			trans	154.4	96.8	147.1	37.8	0	0	0	0	110.4
103	L	29.5	Very low	30	Very low	164 Å²	164	129.9 Å²	129.9	86%	0.859	75%	0.752	S	S	*	*			trans	-177.5	62.6	146.6	-98.8	146.2	0	0	0	108.9	V105	L103-V105 VanDerWaalsContact C-N 3.34Å; L103-V105 HydrophobicContact CD2-CG2 4.14Å; L103-V105 PolarHBondContact O-N 3.19Å
104	S	28.2	Very low	29.6	Very low	112 Å²	112	133.3 Å²	133.3	78%	0.783	77%	0.769	S	S	*	*			trans	-81.6	81.4	164.9	46.4	0	0	0	0	109.2
105	V	31.6	Very low	29.2	Very low	116 Å²	116	130.7 Å²	130.7	70%	0.703	76%	0.764	S	S	*	*			trans	-85.9	112.6	164	178.2	0	0	0	0	107.4	L103 S107	L103-V105 VanDerWaalsContact C-N 3.34Å; L103-V105 HydrophobicContact CD2-CG2 4.14Å; L103-V105 PolarHBondContact O-N 3.19Å; V105-S107 PolarHBondContact O-N 3.29Å; V105-S107 VanDerWaalsContact O-N 3.12Å
106	Y	26.6	Very low	29	Very low	199 Å²	199	128 Å²	128	78%	0.78	77%	0.766	S	S	*	*			trans	-52	109.5	174.2	-88.5	-102.5	0	0	0	111.1	Q108	Y106-Q108 HydrophobicContact CD1-CG 4.43Å
107	S	30.7	Very low	28.9	Very low	103 Å²	103	130 Å²	130	72%	0.72	77%	0.772	S	S	*	*			trans	-126.2	82.5	159.4	52.8	0	0	0	0	107.9	V105 S109	V105-S107 PolarHBondContact O-N 3.29Å; V105-S107 VanDerWaalsContact O-N 3.12Å; S107-S109 PolarHBondContact O-N 3.42Å; S107-S109 VanDerWaalsContact O-N 3.14Å
108	Q	26.5	Very low	28.5	Very low	170 Å²	170	132.9 Å²	132.9	79%	0.794	78%	0.778	S	S	*	*			trans	-71.9	96.2	167.9	-73.5	-179.7	-2.4	0	0	108.6	Y106	Y106-Q108 HydrophobicContact CD1-CG 4.43Å
109	S	32.4	Very low	28.5	Very low	86 Å²	86	134.2 Å²	134.2	60%	0.601	78%	0.781	S	S	*	*			trans	-134.7	105.2	157.2	46.6	0	0	0	0	106.3	S107 I111	S107-S109 PolarHBondContact O-N 3.42Å; S107-S109 VanDerWaalsContact O-N 3.14Å; S109-I111 PolarHBondContact O-N 3.45Å
110	N	27.4	Very low	29	Very low	161 Å²	161	135 Å²	135	86%	0.861	78%	0.783	S	S	*	*			trans	-59.3	96.1	177.5	-71.9	-27.4	0	0	0	109.1
111	I	28.6	Very low	28.9	Very low	146 Å²	146	135 Å²	135	75%	0.749	78%	0.783	S	S	*	*			trans	-96.3	98.1	165.2	-61.2	177.5	0	0	0	106.1	S109 S113	S109-I111 PolarHBondContact O-N 3.45Å; I111-S113 PolarHBondContact O-N 3.05Å
112	T	29.4	Very low	28.7	Very low	128 Å²	128	133 Å²	133	79%	0.785	78%	0.78	S	S	*	*			trans	-63.2	104.6	169.8	-33.1	0	0	0	0	108	L114	T112-L114 PolarHBondContact O-N 3.25Å
113	S	26.7	Very low	28.7	Very low	97 Å²	97	133.7 Å²	133.7	68%	0.678	78%	0.779	S	S	*	*			trans	-68.2	105.3	176.7	49.9	0	0	0	0	110.5	I111 S115	I111-S113 PolarHBondContact O-N 3.05Å; S113-S115 PolarHBondContact O-N 3.5Å
114	L	28.3	Very low	28.4	Very low	178 Å²	178	133.2 Å²	133.2	93%	0.932	78%	0.777	S	S	*	*			trans	-95.4	78.8	163.8	-142.8	84.4	0	0	0	108.3	T112	T112-L114 PolarHBondContact O-N 3.25Å
115	S	25.4	Very low	28.4	Very low	113 Å²	113	133.6 Å²	133.6	79%	0.79	78%	0.778	S	S	*	*			trans	-87.5	112.6	169.1	46.4	0	0	0	0	108.7	S113	S113-S115 PolarHBondContact O-N 3.5Å
116	G	27.1	Very low	28.1	Very low	66 Å²	66	135 Å²	135	68%	0.68	78%	0.782	S	S	*	*			trans	-167.9	89	179.3	0	0	0	0	0	114
117	L	28.8	Very low	28.3	Very low	164 Å²	164	134.4 Å²	134.4	86%	0.859	79%	0.786	S	S	*	*			trans	78.3	80.9	144.3	-53.2	172.7	0	0	0	117.8
118	L	22.6	Very low	28.1	Very low	171 Å²	171	137.7 Å²	137.7	90%	0.895	79%	0.794	S	S	*	*			trans	-68.1	120.1	137.5	-76.1	156.1	0	0	0	108.3
119	N	29.6	Very low	28.1	Very low	148 Å²	148	132.8 Å²	132.8	79%	0.791	79%	0.788	S	S	*	*			trans	-141.1	122.8	153.6	-106.2	-12.6	0	0	0	108.4
120	P	38.7	Very low	27.9	Very low	124 Å²	124	138.5 Å²	138.5	81%	0.805	80%	0.802	S	S	*	*			trans	-89.9	130.4	178.1	34.1	-27.4	0	0	0	109.5
121	S	30	Very low	27.7	Very low	117 Å²	117	135.7 Å²	135.7	82%	0.818	79%	0.794	S	S	*	*			trans	-147.6	121.6	160.4	57.6	0	0	0	0	110.1
122	S	26.4	Very low	27.7	Very low	98 Å²	98	134.8 Å²	134.8	69%	0.685	80%	0.801	S	S	*	*			trans	-58.1	162	177.7	51.4	0	0	0	0	116.3
123	N	28	Very low	27.5	Very low	147 Å²	147	133.3 Å²	133.3	79%	0.786	80%	0.795	S	S	*	*			trans	96.8	107.6	148.9	-62.3	-21.5	0	0	0	118.7
124	N	24.2	Very low	27.5	Very low	154 Å²	154	135.9 Å²	135.9	82%	0.824	80%	0.801	S	S	*	*				34.3	115.6	129.1	-89.3	1.3	0	0	0	118.1
125	C	26.8	Very low	27.7	Very low	119 Å²	119	137 Å²	137	80%	0.804	80%	0.798	S	S	*	*				-155.6	122.2	120.3	52.4	0	0	0	0	110.8
126	D	25.3	Very low	27.6	Very low	146 Å²	146	136.5 Å²	136.5	78%	0.781	79%	0.794	S	S	*	*			trans	-57.5	128.5	157.3	-69.8	-55.8	0	0	0	109.1
127	H	32.3	Very low	27.8	Very low	186 Å²	186	141.8 Å²	141.8	86%	0.861	80%	0.802	S	S	*	*			trans	-153.9	119	146	-98.1	-62	0	0	0	111.6
128	I	25.9	Very low	27.6	Very low	173 Å²	173	141.5 Å²	141.5	89%	0.887	80%	0.801	S	S	*	*			trans	-48	140.4	168.7	-67.4	153.6	0	0	0	112.4
129	G	26.6	Very low	27.7	Very low	66 Å²	66	137.6 Å²	137.6	68%	0.68	79%	0.793	S	S	*	*			trans	150.5	100	145	0	0	0	0	0	119.1
130	K	28.4	Very low	27.7	Very low	206 Å²	206	136 Å²	136	90%	0.896	79%	0.793	S	S	*	*			trans	75.4	107.3	140.1	-71.4	179.3	175.6	177.3	0	120.7
131	C	22.3	Very low	26.9	Very low	102 Å²	102	138 Å²	138	69%	0.689	80%	0.797	S	S	*	*			trans	-40	138	143.4	177.1	0	0	0	0	114	C133	C131-C133 PolarHBondContact SG-N 3.12Å
132	S	29.9	Very low	27	Very low	128 Å²	128	139 Å²	139	90%	0.895	80%	0.798	S	S	*	*			trans	-135	89.4	152.2	-73.5	0	0	0	0	108.1
133	C	24.9	Very low	26.9	Very low	96 Å²	96	141.5 Å²	141.5	65%	0.649	80%	0.804	S	S	*	*			trans	-84.1	123.5	156.6	52.3	0	0	0	0	107.9	C131	C131-C133 PolarHBondContact SG-N 3.12Å
134	D	26.9	Very low	26.8	Very low	151 Å²	151	139.2 Å²	139.2	81%	0.807	81%	0.805	S	S	*	*			trans	172.7	114	146.3	-96.4	-20.8	0	0	0	110.4
135	K	31.4	Very low	27	Very low	203 Å²	203	141.4 Å²	141.4	88%	0.883	81%	0.808	S	S	*	*				172	116.5	115.5	-90.9	167.8	-172.7	-178.5	0	111.7
136	S	24.5	Very low	26.8	Very low	101 Å²	101	144.4 Å²	144.4	71%	0.706	81%	0.81	S	S	*	*			trans	-41.3	147.6	153.1	53.1	0	0	0	0	115
137	Q	31.2	Very low	27	Very low	178 Å²	178	142.1 Å²	142.1	83%	0.832	81%	0.805	S	S	*	*				165.2	110.3	125.1	-88.7	-179.2	16.8	0	0	109
138	N	24.7	Very low	26.6	Very low	158 Å²	158	139.8 Å²	139.8	85%	0.845	80%	0.799	S	S	*	*				83.5	115	88.8	-108.9	5.4	0	0	0	115.2
139	A	24.5	Very low	26.8	Very low	89 Å²	89	139.1 Å²	139.1	74%	0.736	79%	0.792	S	S	*	*			trans	54.9	120.4	141.6	0	0	0	0	0	120.6
140	S	28.1	Very low	26.8	Very low	113 Å²	113	140.5 Å²	140.5	79%	0.79	79%	0.791	S	S	*	*				170.7	134.9	99.8	57.3	0	0	0	0	112
141	N	22.8	Very low	26.6	Very low	167 Å²	167	141.1 Å²	141.1	89%	0.893	79%	0.789	S	S	*	*			trans	-43.4	136.1	165.8	-78.8	-25.1	0	0	0	113.5
142	V	31.1	Very low	26.9	Very low	138 Å²	138	142.7 Å²	142.7	84%	0.836	79%	0.791	S	S	*	*			trans	-143	138	146.5	-176.6	0	0	0	0	109.4
143	D	25.8	Very low	26.7	Very low	150 Å²	150	145 Å²	145	80%	0.802	79%	0.792	S	S	*	*			trans	-55	156.8	-164.7	-70.1	-67.2	0	0	0	119.8
144	A	24.9	Very low	26.8	Very low	99 Å²	99	147.8 Å²	147.8	82%	0.818	80%	0.8	S	S	*	*			trans	-42.9	129.1	164.2	0	0	0	0	0	113.8
145	K	28	Very low	26.6	Very low	201 Å²	201	147.6 Å²	147.6	87%	0.874	80%	0.799	S	S	*	*			trans	-119.1	110	152.3	-83.7	-175.2	174.9	179.4	0	108.6	S147	K145-S147 PolarHBondContact O-N 3.41Å
146	Q	23.9	Very low	26.4	Very low	182 Å²	182	146.6 Å²	146.6	85%	0.85	79%	0.794	S	S	*	*			trans	-46.8	123	161.4	-97	155.8	-45.1	0	0	110.3
147	S	28.4	Very low	26.3	Very low	97 Å²	97	146.9 Å²	146.9	68%	0.678	80%	0.797	S	S	*	*			trans	-108.8	91.6	162.8	50.8	0	0	0	0	108.6	K145 H149	K145-S147 PolarHBondContact O-N 3.41Å; S147-H149 PolarHBondContact O-N 3.46Å
148	D	25.2	Very low	26.1	Very low	137 Å²	137	143.4 Å²	143.4	73%	0.733	79%	0.792	S	S	*	*			trans	-65.7	104.3	166.3	-73.6	-34.8	0	0	0	109.1
149	H	29.7	Very low	26.3	Very low	160 Å²	160	143.1 Å²	143.1	74%	0.741	79%	0.791	S	S	*	*			trans	-104.3	78.4	164.6	-80.4	-58.9	0	0	0	109.3	S147 Y151	S147-H149 PolarHBondContact O-N 3.46Å; H149-Y151 PolarHBondContact O-N 2.71Å
150	S	26.9	Very low	26.5	Very low	94 Å²	94	145.6 Å²	145.6	66%	0.657	80%	0.796	S	S	*	*			trans	-68.4	105.8	165.4	57.7	0	0	0	0	109.5	N152	S150-N152 PolarHBondContact O-N 2.99Å
151	Y	24.5	Very low	26.4	Very low	219 Å²	219	148.6 Å²	148.6	86%	0.859	80%	0.798	S	S	*	*			trans	-74.6	101	166.2	-87.2	-90.7	0	0	0	108.9	H149 L153	H149-Y151 PolarHBondContact O-N 2.71Å; Y151-L153 PolarHBondContact O-N 2.89Å
152	N	27.2	Very low	26.5	Very low	135 Å²	135	150.4 Å²	150.4	72%	0.722	80%	0.797	S	S	*	*			trans	-70	115.5	170.9	-80.9	-43	0	0	0	109.8	S150 L154	S150-N152 PolarHBondContact O-N 2.99Å; N152-L154 PolarHBondContact O-N 2.9Å
153	L	26.5	Very low	26.1	Very low	176 Å²	176	149.3 Å²	149.3	92%	0.921	80%	0.796	S	S	*	*			trans	-60.3	108.8	164	-121.1	85.7	0	0	0	108.3	Y151 D155	Y151-L153 PolarHBondContact O-N 2.89Å; L153-D155 PolarHBondContact O-N 3.43Å
154	L	27	Very low	26.1	Very low	156 Å²	156	148.2 Å²	148.2	82%	0.817	80%	0.795	S	S	*	*			trans	-92	99.9	168.8	-89.4	154	0	0	0	108.6	N152 K156	N152-L154 PolarHBondContact O-N 2.9Å; L154-K156 PolarHBondContact O-N 3.29Å
155	D	22.7	Very low	26.1	Very low	146 Å²	146	149.1 Å²	149.1	78%	0.781	79%	0.793	S	S	*	*			trans	-62.1	115.2	166.4	-152.5	3.3	0	0	0	109.1	L153	L153-D155 PolarHBondContact O-N 3.43Å
156	K	26.9	Very low	26	Very low	182 Å²	182	149.3 Å²	149.3	79%	0.791	79%	0.793	S	S	*	*			trans	-138.5	93.9	166	-83.4	-165.7	177.5	-179.1	0	109.5	L154 S158	L154-K156 PolarHBondContact O-N 3.29Å; K156-S158 PolarHBondContact O-N 3.41Å
157	S	22.7	Very low	26	Very low	108 Å²	108	149.7 Å²	149.7	76%	0.755	80%	0.795	S	S	*	*			trans	-44.2	121	156.3	-39.9	0	0	0	0	110.4
158	S	27.7	Very low	25.9	Very low	105 Å²	105	150.1 Å²	150.1	73%	0.734	80%	0.798	S	S	*	*			trans	-127.6	110.4	165.9	61.8	0	0	0	0	108.7	K156 V160	K156-S158 PolarHBondContact O-N 3.41Å; S158-V160 PolarHBondContact O-N 3.33Å
159	D	28.6	Very low	25.9	Very low	152 Å²	152	148.9 Å²	148.9	81%	0.813	80%	0.8	S	S	*	*			trans	-53.9	123.7	177.8	-63.5	-64	0	0	0	111.8	E161	D159-E161 PolarHBondContact O-N 3.39Å; D159-E161 VanDerWaalsContact O-N 3.12Å
160	V	28.8	Very low	25.7	Very low	140 Å²	140	148.8 Å²	148.8	85%	0.848	80%	0.804	S	S	*	*			trans	-80.5	89.2	173.1	177.4	0	0	0	0	107.8	S158 K162	S158-V160 PolarHBondContact O-N 3.33Å; V160-K162 PolarHBondContact O-N 2.86Å
161	E	25.9	Very low	25.6	Very low	177 Å²	177	152.2 Å²	152.2	83%	0.827	81%	0.809	S	S	*	*			trans	-67.7	120.8	166.2	-89.2	-171.3	149.7	0	0	110.4	D159 S163	D159-E161 PolarHBondContact O-N 3.39Å; D159-E161 VanDerWaalsContact O-N 3.12Å; E161-S163 PolarHBondContact O-N 2.87Å; E161-S163 VanDerWaalsContact O-N 3.08Å
162	K	23.8	Very low	25.6	Very low	204 Å²	204	151 Å²	151	89%	0.887	81%	0.811	S	S	*	*			trans	-61	101.9	172.4	-75.8	171.4	175	171.8	0	110.1	V160	V160-K162 PolarHBondContact O-N 2.86Å
163	S	24.2	Very low	25.5	Very low	115 Å²	115	152.3 Å²	152.3	80%	0.804	82%	0.818	S	S	*	*			trans	-85.4	114.1	164.6	49.5	0	0	0	0	109.9	E161	E161-S163 PolarHBondContact O-N 2.87Å; E161-S163 VanDerWaalsContact O-N 3.08Å
164	T	24.1	Very low	25.5	Very low	127 Å²	127	153.1 Å²	153.1	78%	0.779	81%	0.814	S	S	*	*			trans	-64.8	134.9	174.1	24.7	0	0	0	0	110.9	K166	T164-K166 PolarHBondContact O-N 2.68Å
165	P	25.9	Very low	25.3	Very low	119 Å²	119	152.4 Å²	152.4	77%	0.773	82%	0.816	S	S	*	*			trans	-72.6	121.5	-177.9	27.3	-30.3	0	0	0	110.2	Q167	P165-Q167 PolarHBondContact O-N 3.45Å
166	K	25.3	Very low	25.4	Very low	204 Å²	204	151 Å²	151	89%	0.887	82%	0.817	S	S	*	*			trans	-60.1	115	172.3	-74	178.9	176	177.4	0	109.2	T164 S168	T164-K166 PolarHBondContact O-N 2.68Å; K166-S168 PolarHBondContact O-N 3.18Å
167	Q	23.8	Very low	25.4	Very low	190 Å²	190	151.1 Å²	151.1	89%	0.888	82%	0.821	S	S	*	*			trans	-58.7	102.6	167.1	-76.6	170.6	-30.8	0	0	109.2	P165 S169	P165-Q167 PolarHBondContact O-N 3.45Å; Q167-S169 PolarHBondContact O-N 2.78Å
168	S	26	Very low	25.5	Very low	107 Å²	107	150.6 Å²	150.6	75%	0.748	82%	0.823	S	S	*	*			trans	-83.6	102.9	162.4	55.8	0	0	0	0	108	K166 I170	K166-S168 PolarHBondContact O-N 3.18Å; S168-I170 PolarHBondContact O-N 3.18Å
169	S	25.2	Very low	25.4	Very low	111 Å²	111	153 Å²	153	78%	0.776	83%	0.826	S	S	*	*			trans	-53	103.3	175.9	-48.4	0	0	0	0	111.3	Q167 Q171	Q167-S169 PolarHBondContact O-N 2.78Å; S169-Q171 PolarHBondContact O-N 3.38Å
170	I	25.7	Very low	25.4	Very low	158 Å²	158	151.3 Å²	151.3	81%	0.81	82%	0.824	S	S	*	*			trans	-74.1	108.8	167.9	-64	175.3	0	0	0	106.6	S168 Q172	S168-I170 PolarHBondContact O-N 3.18Å; I170-Q172 PolarHBondContact O-N 3.44Å
171	Q	26.2	Very low	25.2	Very low	166 Å²	166	152.1 Å²	152.1	78%	0.776	82%	0.821	S	S	*	*			trans	-58.5	117.9	173.4	-73.1	172.9	-5.6	0	0	109.2	S169 L173	S169-Q171 PolarHBondContact O-N 3.38Å; Q171-L173 VanDerWaalsContact C-N 3.32Å; Q171-L173 PolarHBondContact O-N 3.17Å
172	Q	23.7	Very low	25.1	Very low	193 Å²	193	151.6 Å²	151.6	90%	0.902	82%	0.824	S	S	*	*			trans	-61.3	92.1	166.7	-78.2	176.4	-24.9	0	0	108.9	I170 K174	I170-Q172 PolarHBondContact O-N 3.44Å; Q172-K174 PolarHBondContact O-N 3.31Å
173	L	25.2	Very low	25.1	Very low	163 Å²	163	146.5 Å²	146.5	85%	0.853	81%	0.813	S	S	*	*			trans	-73.7	110.9	164.3	-92.1	148.7	0	0	0	107.7	Q171 T175	Q171-L173 VanDerWaalsContact C-N 3.32Å; Q171-L173 PolarHBondContact O-N 3.17Å; L173-T175 PolarHBondContact O-N 3.24Å
174	K	25.7	Very low	25.2	Very low	192 Å²	192	147 Å²	147	84%	0.835	80%	0.803	S	S	*	*			trans	-49	131.7	178.8	-66.6	173.9	177.5	178.5	0	110.4	Q172 S176	Q172-K174 PolarHBondContact O-N 3.31Å; K174-S176 PolarHBondContact O-N 3.31Å
175	T	22.9	Very low	25.4	Very low	141 Å²	141	150.7 Å²	150.7	87%	0.865	81%	0.811	S	S	*	*			trans	-52.9	95.7	165.6	44.6	0	0	0	0	109.4	L173 E177	L173-T175 PolarHBondContact O-N 3.24Å; T175-E177 PolarHBondContact O-N 3.35Å
176	S	25.3	Very low	25.4	Very low	116 Å²	116	151.8 Å²	151.8	81%	0.811	80%	0.804	S	S	*	*			trans	-76.3	119.2	167.5	48.2	0	0	0	0	108.2	K174	K174-S176 PolarHBondContact O-N 3.31Å
177	E	26.4	Very low	25.5	Very low	185 Å²	185	147.4 Å²	147.4	86%	0.864	80%	0.797	S	S	*	*			trans	-48.1	142	-179.7	-66.8	162.9	148.8	0	0	112.5	T175 I179	T175-E177 PolarHBondContact O-N 3.35Å; E177-I179 PolarHBondContact O-N 3.48Å; E177-I179 VanDerWaalsContact O-N 3.16Å
178	A	25.2	Very low	25.6	Very low	98 Å²	98	145.4 Å²	145.4	81%	0.81	79%	0.792	S	S	*	*			trans	-58.7	114.5	178.9	0	0	0	0	0	110.7	P180	A178-P180 WeakPolarHBondContact O-CD 3.36Å
179	I	25.4	Very low	25.7	Very low	155 Å²	155	149.9 Å²	149.9	80%	0.795	80%	0.798	S	S	*	*			trans	-67.3	120	165.2	-61.6	170.8	0	0	0	106.6	E177 I181	E177-I179 PolarHBondContact O-N 3.48Å; E177-I179 VanDerWaalsContact O-N 3.16Å; I179-I181 PolarHBondContact O-N 2.97Å
180	P	28.2	Very low	25.8	Very low	117 Å²	117	148.7 Å²	148.7	76%	0.76	79%	0.79	S	S	*	*			trans	-66.4	132.8	-178.6	-15.6	29.1	0	0	0	110.5	A178 D182	A178-P180 WeakPolarHBondContact O-CD 3.36Å; P180-D182 PolarHBondContact O-N 3.46Å
181	I	25.8	Very low	25.9	Very low	156 Å²	156	148.4 Å²	148.4	80%	0.8	79%	0.79	S	S	*	*			trans	-68.4	114.8	176.9	-64.4	165.8	0	0	0	108.1	I179 C183	I179-I181 PolarHBondContact O-N 2.97Å; I181-C183 PolarHBondContact O-N 3.48Å
182	D	23.3	Very low	26.1	Very low	166 Å²	166	149.1 Å²	149.1	89%	0.888	80%	0.797	S	S	*	*			trans	-67.5	105.9	174.7	-163.4	13.4	0	0	0	108.8	P180	P180-D182 PolarHBondContact O-N 3.46Å
183	C	23.5	Very low	26.2	Very low	97 Å²	97	147.9 Å²	147.9	66%	0.655	79%	0.789	S	S	*	*			trans	-116.4	126.7	-179.1	-119.7	0	0	0	0	108.4	I181	I181-C183 PolarHBondContact O-N 3.48Å
184	E	26.9	Very low	26.4	Very low	127 Å²	127	149.5 Å²	149.5	59%	0.593	78%	0.784	S	S	*	*			trans	91.7	91.1	155.2	-53.1	-167.9	153.6	0	0	118.3	K186	E184-K186 VanDerWaalsContact C-N 3.29Å; E184-K186 HydrophobicContact CB-CG 4.26Å; E184-K186 PolarHBondContact O-N 2.87Å; E184-K186 WeakPolarHBondContact OE1-CE 3.44Å; E184-K186 IonicContact OE1-NZ 3.82Å; E184-K186 PolarHBondContact OE1-NZ 3.26Å; E184-K186 VanDerWaalsContact OE2-CD 3.28Å; E184-K186 WeakPolarHBondContact OE2-CD 3.48Å; E184-K186 WeakPolarHBondContact OE2-CE 3.4Å; E184-K186 IonicContact OE2-NZ 2.71Å; E184-K186 PolarHBondContact OE2-NZ 3.37Å
185	Q	27	Very low	26.4	Very low	203 Å²	203	150.2 Å²	150.2	95%	0.949	79%	0.79	S	S	*	*			trans	-73.4	86.3	136.4	-74.2	-179.7	-2.8	0	0	108.9
186	K	27.2	Very low	26.4	Very low	142 Å²	142	148.4 Å²	148.4	62%	0.617	78%	0.782	S	S	*	*			trans	-93.3	128.3	162.6	-88.2	-179.9	-177.4	148.6	0	109.1	E184 N188	E184-K186 VanDerWaalsContact C-N 3.29Å; E184-K186 HydrophobicContact CB-CG 4.26Å; E184-K186 PolarHBondContact O-N 2.87Å; E184-K186 WeakPolarHBondContact OE1-CE 3.44Å; E184-K186 IonicContact OE1-NZ 3.82Å; E184-K186 PolarHBondContact OE1-NZ 3.26Å; E184-K186 VanDerWaalsContact OE2-CD 3.28Å; E184-K186 WeakPolarHBondContact OE2-CD 3.48Å; E184-K186 WeakPolarHBondContact OE2-CE 3.4Å; E184-K186 IonicContact OE2-NZ 2.71Å; E184-K186 PolarHBondContact OE2-NZ 3.37Å; K186-N188 PolarHBondContact O-N 3.07Å
187	P	27.5	Very low	26.5	Very low	113 Å²	113	151.5 Å²	151.5	73%	0.734	78%	0.784	S	S	*	*			trans	-70.5	131.4	178.5	26.7	-30.3	0	0	0	111.1	F189	P187-F189 PolarHBondContact O-N 2.71Å
188	N	26	Very low	26.7	Very low	147 Å²	147	150.6 Å²	150.6	79%	0.786	79%	0.785	S	S	*	*			trans	-48.4	109.9	175.9	-89.8	-33.4	0	0	0	113	K186	K186-N188 PolarHBondContact O-N 3.07Å
189	F	28.3	Very low	26.7	Very low	202 Å²	202	154.2 Å²	154.2	89%	0.886	79%	0.79	S	S	*	*			trans	-115.2	61.9	154.9	-89.4	-83.3	0	0	0	109.5	P187 N191	P187-F189 PolarHBondContact O-N 2.71Å; F189-N191 PolarHBondContact O-N 2.99Å
190	S	26.7	Very low	26.8	Very low	86 Å²	86	155.1 Å²	155.1	60%	0.601	79%	0.791	S	S	*	*			trans	-84.9	91.1	160.2	57.1	0	0	0	0	108
191	N	28.1	Very low	26.8	Very low	151 Å²	151	154.5 Å²	154.5	81%	0.807	79%	0.79	S	S	*	*			trans	-178.7	88.8	154.5	-90	-20.3	0	0	0	108.1	F189	F189-N191 PolarHBondContact O-N 2.99Å
192	I	29.4	Very low	27	Very low	181 Å²	181	155.2 Å²	155.2	93%	0.928	79%	0.794	S	S	*	*			trans	-178.5	78.7	146.7	-82.9	142.5	0	0	0	104
193	K	26.9	Very low	27.2	Very low	168 Å²	168	151.7 Å²	151.7	73%	0.73	78%	0.782	S	S	*	*			trans	-117.3	107.8	168	-168.4	177.1	-178.3	-178.4	0	106.6
194	R	27.9	Very low	27.6	Very low	196 Å²	196	154.4 Å²	154.4	74%	0.74	79%	0.79	S	S	*	*			trans	56	91.5	147.7	-56.7	176.9	-162.4	-168.8	0.9	116.1
195	Q	27	Very low	27.7	Very low	207 Å²	207	159.4 Å²	159.4	97%	0.967	80%	0.804	S	S	*	*			trans	-117	88.6	139.7	-88	-178.1	-10.5	0	0	106.9
196	C	23	Very low	28	Very low	104 Å²	104	157.7 Å²	157.7	70%	0.703	80%	0.801	S	S	*	*			trans	-136.1	64.2	172.9	52	0	0	0	0	107.3
197	E	27.4	Very low	28.2	Very low	180 Å²	180	161.2 Å²	161.2	84%	0.841	82%	0.816	S	S	*	*			trans	-142.5	97.9	167.1	-71.9	-175.6	179.2	0	0	106
198	N	29.7	Very low	28.3	Very low	167 Å²	167	166.7 Å²	166.7	89%	0.893	82%	0.822	S	S	*	*			trans	-171.9	66.5	151.3	-87.1	-17.7	0	0	0	106.6	E200	N198-E200 PolarHBondContact O-N 3.49Å
199	N	25.2	Very low	28.6	Very low	173 Å²	173	168.1 Å²	168.1	93%	0.925	83%	0.829	S	S	*	*			trans	-84.1	87.1	163.8	-83.3	-21.3	0	0	0	107.6
200	E	27.3	Very low	28.9	Very low	174 Å²	174	166.2 Å²	166.2	81%	0.813	83%	0.826	S	S	*	*			trans	-114.9	98.7	160.4	-81	-167.3	157.2	0	0	110.1	N198	N198-E200 PolarHBondContact O-N 3.49Å
201	S	28.4	Very low	29.3	Very low	105 Å²	105	168.4 Å²	168.4	73%	0.734	83%	0.831	S	S	*	*			trans	24	98.7	140.9	59.4	0	0	0	0	118
202	I	30.6	Very low	29.7	Very low	171 Å²	171	167.5 Å²	167.5	88%	0.877	83%	0.826	S	S	*	*			trans	-124.2	78.3	149.1	-59.4	179.6	0	0	0	106.8
203	S	28.1	Very low	30.1	Very low	92 Å²	92	169 Å²	169	64%	0.643	83%	0.826	S	S	*	*			trans	-85.3	138.6	163.2	57	0	0	0	0	109.4
204	D	30.9	Very low	30.7	Very low	154 Å²	154	165.9 Å²	165.9	82%	0.824	82%	0.824	S	S	*	*			trans	69.3	68.2	153.6	-55.1	-29.9	0	0	0	118.4
205	R	29.8	Very low	31.5	Very low	232 Å²	232	163 Å²	163	88%	0.875	82%	0.824	S	S	*	*			trans	-147.5	78.6	152.5	-136.6	179.8	-168.7	-173	4.2	112.1
206	N	32.8	Very low	32.6	Very low	167 Å²	167	161 Å²	161	89%	0.893	81%	0.814	S	S	*	*			trans	-163.2	66.6	153.4	-90.5	-27.7	0	0	0	111.4
207	K	30.6	Very low	33.7	Very low	215 Å²	215	162.5 Å²	162.5	94%	0.935	81%	0.81	S	S	*	*			trans	-93.4	90	152.2	-87.8	-176.1	177.6	175.1	0	108
208	R	30.3	Very low	34.7	Very low	228 Å²	228	159.6 Å²	159.6	86%	0.86	80%	0.797	S	S	*	*			trans	-139.9	117.6	155.2	-79.6	-167.1	177.1	178.8	-1.1	109.2	I210	R208-I210 PolarHBondContact O-N 3.18Å
209	L	33	Very low	35.7	Very low	177 Å²	177	159.4 Å²	159.4	93%	0.927	79%	0.785	S	S	*	*			trans	-46.8	119.5	164.1	-93.6	71	0	0	0	109.3
210	I	34.9	Very low	36.9	Very low	163 Å²	163	154.8 Å²	154.8	84%	0.836	76%	0.763	S	S	*	*			trans	-133.9	105.7	152.1	-60.8	-176.5	0	0	0	106.5	R208	R208-I210 PolarHBondContact O-N 3.18Å
211	N	33.3	Very low	38.2	Very low	132 Å²	132	150.7 Å²	150.7	71%	0.706	75%	0.746	S	S	*	*			trans	-57.7	149.4	166.3	-118.8	14.7	0	0	0	109.9
212	D	36.2	Very low	39.4	Very low	131 Å²	131	152.3 Å²	152.3	70%	0.701	74%	0.739	S	S	*	*	S	Bend	trans	70.1	86.5	155.1	-51.6	-32.1	0	0	0	117.3
213	K	39.7	Very low	40.6	Very low	214 Å²	214	150.5 Å²	150.5	93%	0.93	73%	0.727	S	S	*	*			trans	167.9	58	132.2	-88.6	164.3	-174.5	-177.7	0	111.2
214	C	37.6	Very low	42.2	Very low	102 Å²	102	149.5 Å²	149.5	69%	0.689	72%	0.717	S	S	*	*			trans	-114.8	78.7	171.8	-164.7	0	0	0	0	110.1
215	N	46.1	Very low	43.9	Very low	135 Å²	135	146.8 Å²	146.8	72%	0.722	70%	0.703	S	S	*	*	S	Bend	trans	-136.2	-6.3	162.6	-97	-15.8	0	0	0	113.4
216	H	48.6	Very low	45.8	Very low	164 Å²	164	142.1 Å²	142.1	76%	0.759	69%	0.691	S	S	*	*	S	Bend	trans	-99.3	-27.9	-178.3	-146.2	30.7	0	0	0	114.2	Q218	H216-Q218 PolarHBondContact O-N 3.41Å
217	H	47.1	Very low	47.9	Very low	136 Å²	136	140.4 Å²	140.4	63%	0.63	68%	0.677	S	S	*	*	H	α-helix	trans	-77.2	-20.6	-177.1	-148.1	49	0	0	0	113.8	Y219	H217-Y219 VanDerWaalsContact C-N 3.33Å
218	Q	48.5	Very low	50.3	Low	120 Å²	120	134.7 Å²	134.7	56%	0.561	66%	0.656	S	S	*	*	H	α-helix	trans	-77.9	-18.1	179.1	-154.3	171.2	22.1	0	0	113.2	H216 K222	H216-Q218 PolarHBondContact O-N 3.41Å; Q218-K222 WeakPolarHBondContact O-CG 3.37Å
219	Y	50.7	Low	52.6	Low	163 Å²	163	130 Å²	130	64%	0.639	64%	0.644	S	S	*	*	H	α-helix	trans	-78.2	-43	176.7	-88.3	-87.1	0	0	0	112	H217 I221 K222 E223	H217-Y219 VanDerWaalsContact C-N 3.33Å; Y219-I221 PolarHBondContact O-N 2.95Å; Y219-K222 PolarHBondContact O-N 2.81Å; Y219-E223 PolarHBondContact O-N 2.94Å
220	T	51.2	Low	55	Low	76 Å²	76	127.1 Å²	127.1	47%	0.466	62%	0.624	S	S	.	*	H	α-helix	trans	-67.5	-36.1	-177.2	9.1	0	0	0	0	113	K222 T224	T220-K222 VanDerWaalsContact C-N 3.35Å; T220-T224 PolarHBondContact O-N 2.96Å; T220-T224 PolarHBondContact O-OG1 2.56Å
221	I	53.1	Low	57.4	Low	88 Å²	88	123.6 Å²	123.6	45%	0.451	61%	0.607	S	S	.	*	H	α-helix	trans	-71.3	-30.5	177.1	-60.3	171.5	0	0	0	111.8	Y219 T224 N225	Y219-I221 PolarHBondContact O-N 2.95Å; I221-T224 PolarHBondContact O-OG1 3.24Å; I221-T224 VanDerWaalsContact O-OG1 3.08Å; I221-N225 PolarHBondContact O-N 3.42Å
222	K	54	Low	59.7	Low	139 Å²	139	121.7 Å²	121.7	60%	0.604	60%	0.596	S	S	*	*	H	α-helix	trans	-70.8	-38.8	177.1	-79.9	-178.3	177.7	-178.3	0	112	Q218 Y219 T220 H226	Q218-K222 WeakPolarHBondContact O-CG 3.37Å; Y219-K222 PolarHBondContact O-N 2.81Å; T220-K222 VanDerWaalsContact C-N 3.35Å; K222-H226 WeakPolarHBondContact O-CB 3.4Å; K222-H226 PolarHBondContact O-N 3.14Å; K222-H226 VanDerWaalsContact O-N 3.11Å
223	E	56.7	Low	62.1	Low	132 Å²	132	120.6 Å²	120.6	62%	0.617	59%	0.587	S	S	*	*	H	α-helix	trans	-64.6	-46.3	177.8	-74.3	176.1	172.6	0	0	111.3	Y219 N225 H226 E227	Y219-E223 PolarHBondContact O-N 2.94Å; E223-N225 PolarHBondContact O-N 2.79Å; E223-H226 PolarHBondContact O-N 3.21Å; E223-E227 PolarHBondContact O-N 2.96Å; E223-E227 VanDerWaalsContact O-N 3.09Å
224	T	62.1	Low	64.2	Low	71 Å²	71	114.5 Å²	114.5	44%	0.436	57%	0.565	S	S	.	*	H	α-helix	trans	-64.9	-37.2	178.8	54.3	0	0	0	0	113.2	T220 I221 E227 I228	T220-T224 PolarHBondContact O-N 2.96Å; T220-T224 PolarHBondContact O-OG1 2.56Å; I221-T224 PolarHBondContact O-OG1 3.24Å; I221-T224 VanDerWaalsContact O-OG1 3.08Å; T224-E227 PolarHBondContact O-N 2.99Å; T224-I228 VanDerWaalsContact O-CG1 3.29Å; T224-I228 WeakPolarHBondContact O-CG1 3.42Å; T224-I228 PolarHBondContact O-N 2.86Å; T224-I228 VanDerWaalsContact O-N 3.09Å
225	N	65.1	Low	66.4	Low	98 Å²	98	115.8 Å²	115.8	52%	0.524	56%	0.564	S	S	.	*	H	α-helix	trans	-69.1	-37.2	177.3	-86	-8.7	0	0	0	112.1	I221 E223 E227 I228 E229	I221-N225 PolarHBondContact O-N 3.42Å; E223-N225 PolarHBondContact O-N 2.79Å; N225-E227 VanDerWaalsContact C-N 3.31Å; N225-I228 PolarHBondContact O-N 3.48Å; N225-E229 VanDerWaalsContact O-CB 3.28Å; N225-E229 WeakPolarHBondContact O-CB 3.37Å; N225-E229 PolarHBondContact O-N 3.12Å
226	H	70.6	Confident	68	Low	133 Å²	133	116.6 Å²	116.6	62%	0.616	57%	0.567	S	S	*	*	H	α-helix	trans	-69.1	-32.3	178.3	-159.9	-54.8	0	0	0	111.9	K222 E223 F230	K222-H226 WeakPolarHBondContact O-CB 3.4Å; K222-H226 PolarHBondContact O-N 3.14Å; K222-H226 VanDerWaalsContact O-N 3.11Å; E223-H226 PolarHBondContact O-N 3.21Å; H226-F230 WeakPolarHBondContact O-CB 3.4Å; H226-F230 PolarHBondContact O-N 3.2Å; H226-F230 VanDerWaalsContact O-N 3.08Å
227	E	77.3	Confident	69.7	Low	132 Å²	132	111.8 Å²	111.8	62%	0.617	56%	0.562	S	S	*	*	H	α-helix	trans	-71	-44	175.6	-149.1	170.2	-152.6	0	0	111.3	E223 T224 N225 E229 F230 D231	E223-E227 PolarHBondContact O-N 2.96Å; E223-E227 VanDerWaalsContact O-N 3.09Å; T224-E227 PolarHBondContact O-N 2.99Å; N225-E227 VanDerWaalsContact C-N 3.31Å; E227-E229 PolarHBondContact O-N 3.41Å; E227-F230 PolarHBondContact O-N 3.41Å; E227-D231 PolarHBondContact O-N 3.49Å
228	I	80.4	Confident	71.5	Confident	94 Å²	94	108.2 Å²	108.2	48%	0.482	56%	0.556	S	S	.	*	H	α-helix	trans	-64.2	-40.7	174.7	-66.1	166.1	0	0	0	111.5	T224 N225 F230 D231 L232	T224-I228 VanDerWaalsContact O-CG1 3.29Å; T224-I228 WeakPolarHBondContact O-CG1 3.42Å; T224-I228 PolarHBondContact O-N 2.86Å; T224-I228 VanDerWaalsContact O-N 3.09Å; N225-I228 PolarHBondContact O-N 3.48Å; I228-F230 VanDerWaalsContact C-N 3.32Å; I228-D231 PolarHBondContact O-N 2.95Å; I228-L232 HydrophobicContact CG2-CD1 3.86Å; I228-L232 HydrophobicContact CG2-CG 4.31Å; I228-L232 WeakPolarHBondContact O-CB 3.28Å; I228-L232 WeakPolarHBondContact O-CG 3.31Å; I228-L232 PolarHBondContact O-N 2.93Å
229	E	78.8	Confident	73.4	Confident	131 Å²	131	106.4 Å²	106.4	61%	0.612	55%	0.548	S	S	*	.	H	α-helix	trans	-64.4	-39.1	177.7	-169.9	169.3	-164.5	0	0	111.3	N225 E227 E233	N225-E229 VanDerWaalsContact O-CB 3.28Å; N225-E229 WeakPolarHBondContact O-CB 3.37Å; N225-E229 PolarHBondContact O-N 3.12Å; E227-E229 PolarHBondContact O-N 3.41Å; E229-E233 WeakPolarHBondContact O-CB 3.35Å; E229-E233 PolarHBondContact O-N 3.19Å
230	F	83.5	Confident	75.3	Confident	116 Å²	116	102.6 Å²	102.6	51%	0.509	54%	0.542	S	S	.	.	H	α-helix	trans	-65.4	-43.9	174.5	-177	-102.3	0	0	0	112.6	H226 E227 I228 E233 N234	H226-F230 WeakPolarHBondContact O-CB 3.4Å; H226-F230 PolarHBondContact O-N 3.2Å; H226-F230 VanDerWaalsContact O-N 3.08Å; E227-F230 PolarHBondContact O-N 3.41Å; I228-F230 VanDerWaalsContact C-N 3.32Å; F230-E233 PolarHBondContact O-N 3.27Å; F230-N234 WeakPolarHBondContact CE1-ND2 3.35Å; F230-N234 WeakPolarHBondContact CZ-ND2 3.46Å; F230-N234 WeakPolarHBondContact O-CB 3.49Å; F230-N234 PolarHBondContact O-N 3.01Å; F230-N234 PolarHBondContact O-ND2 3.06Å
231	D	85.5	Confident	77.2	Confident	89 Å²	89	104.9 Å²	104.9	48%	0.476	56%	0.556	S	S	.	*	H	α-helix	trans	-67.9	-37.9	177.6	-79.4	-11	0	0	0	112.3	E227 I228 N234 L235	E227-D231 PolarHBondContact O-N 3.49Å; I228-D231 PolarHBondContact O-N 2.95Å; D231-N234 PolarHBondContact O-N 3.35Å; D231-L235 WeakPolarHBondContact O-CB 3.32Å; D231-L235 WeakPolarHBondContact O-CG 3.45Å; D231-L235 PolarHBondContact O-N 3.34Å
232	L	81.4	Confident	78.9	Confident	92 Å²	92	110.3 Å²	110.3	48%	0.482	57%	0.57	S	S	.	*	H	α-helix	trans	-65.7	-41.4	172.9	-77.4	171.7	0	0	0	111.8	I228 N234 L235 L236	I228-L232 HydrophobicContact CG2-CD1 3.86Å; I228-L232 HydrophobicContact CG2-CG 4.31Å; I228-L232 WeakPolarHBondContact O-CB 3.28Å; I228-L232 WeakPolarHBondContact O-CG 3.31Å; I228-L232 PolarHBondContact O-N 2.93Å; L232-N234 VanDerWaalsContact C-N 3.33Å; L232-L235 PolarHBondContact O-N 3.06Å; L232-L236 VanDerWaalsContact O-CB 3.3Å; L232-L236 WeakPolarHBondContact O-CB 3.45Å; L232-L236 VanDerWaalsContact O-CG 3.25Å; L232-L236 WeakPolarHBondContact O-CG 3.38Å; L232-L236 PolarHBondContact O-N 3.08Å
233	E	85.5	Confident	80.6	Confident	108 Å²	108	108.9 Å²	108.9	51%	0.505	57%	0.566	S	S	.	*	H	α-helix	trans	-64.6	-38.5	175.3	-171.1	164.9	-149.8	0	0	111.2	R37 E229 F230 G237	R37-E233 IonicContact NH2-OE1 3.87Å; R37-E233 PolarHBondContact NH2-OE1 3.44Å; E229-E233 WeakPolarHBondContact O-CB 3.35Å; E229-E233 PolarHBondContact O-N 3.19Å; F230-E233 PolarHBondContact O-N 3.27Å; E233-G237 WeakPolarHBondContact O-CA 3.33Å; E233-G237 PolarHBondContact O-N 2.69Å
234	N	85.4	Confident	82.2	Confident	86 Å²	86	109.4 Å²	109.4	46%	0.46	57%	0.566	S	S	.	*	H	α-helix	trans	-66.1	-41.9	173.5	-77.9	-25.2	0	0	0	112.7	F230 D231 L232 G237 A238	F230-N234 WeakPolarHBondContact CE1-ND2 3.35Å; F230-N234 WeakPolarHBondContact CZ-ND2 3.46Å; F230-N234 WeakPolarHBondContact O-CB 3.49Å; F230-N234 PolarHBondContact O-N 3.01Å; F230-N234 PolarHBondContact O-ND2 3.06Å; D231-N234 PolarHBondContact O-N 3.35Å; L232-N234 VanDerWaalsContact C-N 3.33Å; N234-G237 PolarHBondContact O-N 3.43Å; N234-A238 WeakPolarHBondContact O-CB 3.41Å; N234-A238 PolarHBondContact O-N 2.97Å
235	L	82	Confident	83.7	Confident	128 Å²	128	111.8 Å²	111.8	67%	0.67	57%	0.572	S	S	*	*	H	α-helix	trans	-67	-40.1	177.4	-83.8	161	0	0	0	112.3	D231 L232	D231-L235 WeakPolarHBondContact O-CB 3.32Å; D231-L235 WeakPolarHBondContact O-CG 3.45Å; D231-L235 PolarHBondContact O-N 3.34Å; L232-L235 PolarHBondContact O-N 3.06Å
236	L	79.9	Confident	84.9	Confident	152 Å²	152	109.9 Å²	109.9	80%	0.796	57%	0.567	S	S	*	*	H	α-helix	trans	-76.1	-26.2	176.8	-68.5	172.2	0	0	0	112.5	L232	L232-L236 VanDerWaalsContact O-CB 3.3Å; L232-L236 WeakPolarHBondContact O-CB 3.45Å; L232-L236 VanDerWaalsContact O-CG 3.25Å; L232-L236 WeakPolarHBondContact O-CG 3.38Å; L232-L236 PolarHBondContact O-N 3.08Å
237	G	84.7	Confident	85.9	Confident	64 Å²	64	108.6 Å²	108.6	66%	0.66	56%	0.559	S	S	*	*	H	α-helix	trans	-84.7	-13.2	174.4	0	0	0	0	0	114.1	E233 N234 E239	E233-G237 WeakPolarHBondContact O-CA 3.33Å; E233-G237 PolarHBondContact O-N 2.69Å; N234-G237 PolarHBondContact O-N 3.43Å; G237-E239 PolarHBondContact O-N 3.3Å
238	A	85.9	Confident	86.7	Confident	60 Å²	60	110.1 Å²	110.1	50%	0.496	56%	0.559	S	S	.	*	S	Bend	trans	-68.6	126.2	176.7	0	0	0	0	0	110.6	N234 T240	N234-A238 WeakPolarHBondContact O-CB 3.41Å; N234-A238 PolarHBondContact O-N 2.97Å; A238-T240 PolarHBondContact O-N 3.38Å
239	E	88.6	Confident	87.4	Confident	83 Å²	83	110 Å²	110	39%	0.388	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-62.2	125.9	178.2	-168.9	174.2	-161.2	0	0	109.9	G237 E243 K244	G237-E239 PolarHBondContact O-N 3.3Å; E239-E243 HydrophobicContact CG-CB 3.68Å; E239-E243 HydrophobicContact CG-CG 3.7Å; E239-K244 HydrophobicContact CG-CB 4.28Å; E239-K244 PolarHBondContact OE1-N 3.44Å
240	T	90.5	Very high	88	Confident	83 Å²	83	111.5 Å²	111.5	51%	0.509	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-66.9	152.9	176.8	67.4	0	0	0	0	110.4	A238 R242 E243 K244	A238-T240 PolarHBondContact O-N 3.38Å; T240-R242 PolarHBondContact O-N 3.42Å; T240-R242 VanDerWaalsContact O-N 3.12Å; T240-E243 WeakPolarHBondContact O-CB 3.49Å; T240-E243 PolarHBondContact O-N 2.91Å; T240-E243 WeakPolarHBondContact OG1-CB 3.44Å; T240-E243 PolarHBondContact OG1-N 3.42Å; T240-K244 PolarHBondContact O-N 2.91Å
241	T	89.5	Confident	88.5	Confident	124 Å²	124	111.4 Å²	111.4	76%	0.761	56%	0.56	S	S	*	*	H	α-helix	trans	-52.6	-38.2	176.6	-47.7	0	0	0	0	112.4	E245	T241-E245 PolarHBondContact O-N 3.18Å; T241-E245 VanDerWaalsContact O-N 3.08Å
242	R	88.6	Confident	89	Confident	201 Å²	201	111.4 Å²	111.4	76%	0.758	56%	0.557	S	S	*	*	H	α-helix	trans	-68	-37.6	177.2	-176.5	-179.7	177.9	176.5	2.4	112.9	T240 S246	T240-R242 PolarHBondContact O-N 3.42Å; T240-R242 VanDerWaalsContact O-N 3.12Å; R242-S246 WeakPolarHBondContact O-CB 3.42Å; R242-S246 PolarHBondContact O-N 3.05Å; R242-S246 PolarHBondContact O-OG 2.88Å
243	E	90.3	Very high	89.6	Confident	109 Å²	109	110.5 Å²	110.5	51%	0.509	56%	0.555	S	S	.	*	H	α-helix	trans	-68.5	-43.3	177.2	-172.3	174	-168.9	0	0	110.7	E239 T240 E245 S246 K247	E239-E243 HydrophobicContact CG-CB 3.68Å; E239-E243 HydrophobicContact CG-CG 3.7Å; T240-E243 WeakPolarHBondContact O-CB 3.49Å; T240-E243 PolarHBondContact O-N 2.91Å; T240-E243 WeakPolarHBondContact OG1-CB 3.44Å; T240-E243 PolarHBondContact OG1-N 3.42Å; E243-E245 VanDerWaalsContact C-N 3.33Å; E243-E245 PolarHBondContact O-N 3.09Å; E243-S246 WeakPolarHBondContact O-CB 3.29Å; E243-S246 PolarHBondContact O-N 3.21Å; E243-S246 VanDerWaalsContact O-N 3.14Å; E243-K247 WeakPolarHBondContact O-CB 3.38Å; E243-K247 PolarHBondContact O-N 2.94Å
244	K	91.3	Very high	89.9	Confident	143 Å²	143	110 Å²	110	62%	0.622	55%	0.554	S	S	*	*	H	α-helix	trans	-59.3	-41.6	175.3	-167.2	174.3	-176	175.7	0	112.5	E239 T240 R248	E239-K244 HydrophobicContact CG-CB 4.28Å; E239-K244 PolarHBondContact OE1-N 3.44Å; T240-K244 PolarHBondContact O-N 2.91Å; K244-R248 PolarHBondContact O-N 3.4Å
245	E	92.4	Very high	90.3	Very high	121 Å²	121	111.8 Å²	111.8	57%	0.565	56%	0.56	S	S	*	*	H	α-helix	trans	-67.1	-43.1	174.7	-170.9	175.3	-167.1	0	0	112	T241 E243 K247 R248 I249	T241-E245 PolarHBondContact O-N 3.18Å; T241-E245 VanDerWaalsContact O-N 3.08Å; E243-E245 VanDerWaalsContact C-N 3.33Å; E243-E245 PolarHBondContact O-N 3.09Å; E245-K247 VanDerWaalsContact C-N 3.29Å; E245-K247 PolarHBondContact O-N 2.79Å; E245-R248 PolarHBondContact O-N 3.1Å; E245-I249 HydrophobicContact CG-CD1 4.14Å; E245-I249 WeakPolarHBondContact O-CG1 3.36Å; E245-I249 PolarHBondContact O-N 3.11Å
246	S	91.4	Very high	90.7	Very high	59 Å²	59	111.4 Å²	111.4	41%	0.413	56%	0.558	S	S	.	*	H	α-helix	trans	-62.2	-36.9	176.6	-60.7	0	0	0	0	112.4	R242 E243 R250	R242-S246 WeakPolarHBondContact O-CB 3.42Å; R242-S246 PolarHBondContact O-N 3.05Å; R242-S246 PolarHBondContact O-OG 2.88Å; E243-S246 WeakPolarHBondContact O-CB 3.29Å; E243-S246 PolarHBondContact O-N 3.21Å; E243-S246 VanDerWaalsContact O-N 3.14Å; S246-R250 WeakPolarHBondContact O-CB 3.26Å; S246-R250 PolarHBondContact O-N 2.89Å
247	K	92	Very high	91.1	Very high	105 Å²	105	110.3 Å²	110.3	46%	0.457	55%	0.552	S	S	.	*	H	α-helix	trans	-66.8	-44.7	174.8	-174.7	179.2	175.3	-175.1	0	111.4	E243 E245 R250 E251	E243-K247 WeakPolarHBondContact O-CB 3.38Å; E243-K247 PolarHBondContact O-N 2.94Å; E245-K247 VanDerWaalsContact C-N 3.29Å; E245-K247 PolarHBondContact O-N 2.79Å; K247-R250 WeakPolarHBondContact O-CB 3.32Å; K247-R250 PolarHBondContact O-N 3.17Å; K247-E251 VanDerWaalsContact CE-OE1 3.3Å; K247-E251 WeakPolarHBondContact CE-OE1 3.36Å; K247-E251 WeakPolarHBondContact O-CG 3.46Å; K247-E251 PolarHBondContact O-N 3.21Å
248	R	93.3	Very high	91.3	Very high	164 Å²	164	113.1 Å²	113.1	62%	0.619	55%	0.552	S	S	*	*	H	α-helix	trans	-59.7	-48.5	175.8	-175.5	-177.4	175.5	173	6	112.1	K244 E245 R250 E251 E252	K244-R248 PolarHBondContact O-N 3.4Å; E245-R248 PolarHBondContact O-N 3.1Å; R248-R250 VanDerWaalsContact C-N 3.27Å; R248-R250 PolarHBondContact O-N 3.36Å; R248-E251 PolarHBondContact O-N 2.63Å; R248-E252 IonicContact CZ-OE1 3.6Å; R248-E252 IonicContact NE-OE1 3.79Å; R248-E252 PolarHBondContact NE-OE1 3.44Å; R248-E252 IonicContact NH2-OE1 2.89Å; R248-E252 WeakPolarHBondContact O-CG 3.43Å; R248-E252 PolarHBondContact O-N 3.1Å
249	I	94.2	Very high	91.3	Very high	92 Å²	92	117.7 Å²	117.7	47%	0.472	56%	0.556	S	S	.	*	H	α-helix	trans	-59.3	-41.2	176.9	-67	167.2	0	0	0	110.5	E245 E252 V253	E245-I249 HydrophobicContact CG-CD1 4.14Å; E245-I249 WeakPolarHBondContact O-CG1 3.36Å; E245-I249 PolarHBondContact O-N 3.11Å; I249-E252 PolarHBondContact O-N 2.91Å; I249-V253 HydrophobicContact CG2-CG2 4.33Å; I249-V253 WeakPolarHBondContact O-CB 3.3Å; I249-V253 VanDerWaalsContact O-CG2 3.28Å; I249-V253 WeakPolarHBondContact O-CG2 3.49Å; I249-V253 PolarHBondContact O-N 3.14Å
250	R	92.7	Very high	91.2	Very high	162 Å²	162	118.4 Å²	118.4	61%	0.611	56%	0.56	S	S	*	*	H	α-helix	trans	-63.2	-43.1	177.2	-174	-173.8	-59.9	-177.9	3	112.2	S246 K247 R248 V253 M254	S246-R250 WeakPolarHBondContact O-CB 3.26Å; S246-R250 PolarHBondContact O-N 2.89Å; K247-R250 WeakPolarHBondContact O-CB 3.32Å; K247-R250 PolarHBondContact O-N 3.17Å; R248-R250 VanDerWaalsContact C-N 3.27Å; R248-R250 PolarHBondContact O-N 3.36Å; R250-V253 PolarHBondContact O-N 3.26Å; R250-M254 WeakPolarHBondContact O-CB 3.39Å; R250-M254 VanDerWaalsContact O-CG 3.27Å; R250-M254 WeakPolarHBondContact O-CG 3.49Å; R250-M254 PolarHBondContact O-N 3.14Å
251	E	94.2	Very high	91.1	Very high	114 Å²	114	116.6 Å²	116.6	53%	0.533	55%	0.55	S	S	.	*	H	α-helix	trans	-62.8	-44.6	177	-73.3	171.5	-175.4	0	0	111	K247 R248 M254 E255	K247-E251 VanDerWaalsContact CE-OE1 3.3Å; K247-E251 WeakPolarHBondContact CE-OE1 3.36Å; K247-E251 WeakPolarHBondContact O-CG 3.46Å; K247-E251 PolarHBondContact O-N 3.21Å; R248-E251 PolarHBondContact O-N 2.63Å; E251-M254 PolarHBondContact O-N 2.81Å; E251-E255 PolarHBondContact O-N 3.37Å
252	E	94.8	Very high	90.9	Very high	90 Å²	90	116.4 Å²	116.4	42%	0.421	55%	0.549	S	S	.	.	H	α-helix	trans	-63.5	-43.2	176.8	-71	176.7	-167.3	0	0	112.2	R248 I249 E255 L256	R248-E252 IonicContact CZ-OE1 3.6Å; R248-E252 IonicContact NE-OE1 3.79Å; R248-E252 PolarHBondContact NE-OE1 3.44Å; R248-E252 IonicContact NH2-OE1 2.89Å; R248-E252 WeakPolarHBondContact O-CG 3.43Å; R248-E252 PolarHBondContact O-N 3.1Å; I249-E252 PolarHBondContact O-N 2.91Å; E252-E255 PolarHBondContact O-N 3.41Å; E252-L256 WeakPolarHBondContact O-CG 3.5Å; E252-L256 PolarHBondContact O-N 2.99Å
253	V	94.2	Very high	90.6	Very high	72 Å²	72	115 Å²	115	44%	0.436	55%	0.548	S	S	.	.	H	α-helix	trans	-64.1	-42.4	175.6	170.5	0	0	0	0	111.2	I249 R250 E255 L256 L257	I249-V253 HydrophobicContact CG2-CG2 4.33Å; I249-V253 WeakPolarHBondContact O-CB 3.3Å; I249-V253 VanDerWaalsContact O-CG2 3.28Å; I249-V253 WeakPolarHBondContact O-CG2 3.49Å; I249-V253 PolarHBondContact O-N 3.14Å; R250-V253 PolarHBondContact O-N 3.26Å; V253-E255 VanDerWaalsContact C-N 3.31Å; V253-E255 PolarHBondContact O-N 3.31Å; V253-L256 PolarHBondContact O-N 3.05Å; V253-L257 HydrophobicContact CG1-CD1 3.93Å; V253-L257 HydrophobicContact CG1-CG 4.34Å; V253-L257 WeakPolarHBondContact O-CG 3.42Å; V253-L257 PolarHBondContact O-N 3.29Å
254	M	91.2	Very high	90.3	Very high	97 Å²	97	114.3 Å²	114.3	48%	0.478	55%	0.545	S	S	.	.	H	α-helix	trans	-64.8	-36.8	176.5	-76	-61.6	-61.1	0	0	111.9	R250 E251 N258	R250-M254 WeakPolarHBondContact O-CB 3.39Å; R250-M254 VanDerWaalsContact O-CG 3.27Å; R250-M254 WeakPolarHBondContact O-CG 3.49Å; R250-M254 PolarHBondContact O-N 3.14Å; E251-M254 PolarHBondContact O-N 2.81Å; M254-N258 WeakPolarHBondContact O-CB 3.1Å; M254-N258 VanDerWaalsContact O-CG 3.29Å; M254-N258 PolarHBondContact O-N 3.49Å; M254-N258 PolarHBondContact O-ND2 3.42Å
255	E	94	Very high	89.9	Confident	125 Å²	125	114 Å²	114	58%	0.584	54%	0.54	S	S	*	.	H	α-helix	trans	-63.2	-45.3	173.1	-169.6	-174.7	159.3	0	0	111	E251 E252 V253 L257 N258 R259	E251-E255 PolarHBondContact O-N 3.37Å; E252-E255 PolarHBondContact O-N 3.41Å; V253-E255 VanDerWaalsContact C-N 3.31Å; V253-E255 PolarHBondContact O-N 3.31Å; E255-L257 PolarHBondContact O-N 2.97Å; E255-N258 PolarHBondContact O-N 3.4Å; E255-R259 WeakPolarHBondContact O-CB 3.48Å; E255-R259 PolarHBondContact O-N 3.05Å
256	L	90.3	Very high	89.2	Confident	119 Å²	119	115.3 Å²	115.3	62%	0.623	54%	0.544	S	S	*	.	H	α-helix	trans	-63.2	-41.1	177.9	-73.1	172.3	0	0	0	112.8	E252 V253 R259	E252-L256 WeakPolarHBondContact O-CG 3.5Å; E252-L256 PolarHBondContact O-N 2.99Å; V253-L256 PolarHBondContact O-N 3.05Å; L256-R259 PolarHBondContact O-N 3.44Å
257	L	88.8	Confident	88.6	Confident	130 Å²	130	116.7 Å²	116.7	68%	0.681	55%	0.546	S	S	*	.	H	α-helix	trans	-69.1	-35.2	178.2	-71.9	172.7	0	0	0	112.8	V253 E255 R259	V253-L257 HydrophobicContact CG1-CD1 3.93Å; V253-L257 HydrophobicContact CG1-CG 4.34Å; V253-L257 WeakPolarHBondContact O-CG 3.42Å; V253-L257 PolarHBondContact O-N 3.29Å; E255-L257 PolarHBondContact O-N 2.97Å; L257-R259 VanDerWaalsContact C-N 3.31Å
258	N	89.2	Confident	87.9	Confident	122 Å²	122	115.5 Å²	115.5	65%	0.652	55%	0.548	S	S	*	.	H	α-helix	trans	-82.1	-11.8	177.5	-70.6	-37.2	0	0	0	112.8	M254 E255 Q260	M254-N258 WeakPolarHBondContact O-CB 3.1Å; M254-N258 VanDerWaalsContact O-CG 3.29Å; M254-N258 PolarHBondContact O-N 3.49Å; M254-N258 PolarHBondContact O-ND2 3.42Å; E255-N258 PolarHBondContact O-N 3.4Å; N258-Q260 PolarHBondContact O-N 3.17Å; N258-Q260 VanDerWaalsContact O-N 3.15Å
259	R	87	Confident	86.9	Confident	157 Å²	157	113.9 Å²	113.9	59%	0.592	55%	0.548	S	S	*	.	S	Bend	trans	-76.3	104.2	177.6	-166.1	175.7	-161.4	146.6	4.1	109.1	E255 L256 L257 S261	E255-R259 WeakPolarHBondContact O-CB 3.48Å; E255-R259 PolarHBondContact O-N 3.05Å; L256-R259 PolarHBondContact O-N 3.44Å; L257-R259 VanDerWaalsContact C-N 3.31Å; R259-S261 PolarHBondContact O-N 2.96Å
260	Q	86.2	Confident	85.7	Confident	98 Å²	98	118.9 Å²	118.9	46%	0.458	56%	0.561	S	S	.	*			trans	-50.5	132.1	174.5	-74	-179.4	-16.5	0	0	111.6	N258 E264 R265	N258-Q260 PolarHBondContact O-N 3.17Å; N258-Q260 VanDerWaalsContact O-N 3.15Å; Q260-E264 WeakPolarHBondContact CA-OE2 3.27Å; Q260-R265 HydrophobicContact CB-CG 4.06Å
261	S	88.1	Confident	84.5	Confident	45 Å²	45	117 Å²	117	32%	0.315	56%	0.557	S	S	.	*			trans	-65.7	153.1	174.8	68.9	0	0	0	0	110.8	R259 K263 E264 R265	R259-S261 PolarHBondContact O-N 2.96Å; S261-K263 PolarHBondContact O-N 2.77Å; S261-E264 WeakPolarHBondContact CB-OE1 3.39Å; S261-E264 PolarHBondContact N-OE2 2.89Å; S261-E264 WeakPolarHBondContact O-CB 2.82Å; S261-E264 PolarHBondContact O-N 2.57Å; S261-E264 VanDerWaalsContact O-N 3.09Å; S261-E264 WeakPolarHBondContact OG-CB 3.47Å; S261-E264 VanDerWaalsContact OG-CG 3.28Å; S261-E264 WeakPolarHBondContact OG-CG 3.35Å; S261-E264 PolarHBondContact OG-N 3.02Å; S261-E264 VanDerWaalsContact OG-N 3.08Å; S261-E264 PolarHBondContact OG-OE1 3Å; S261-R265 PolarHBondContact O-N 3.47Å
262	T	84.4	Confident	83.2	Confident	119 Å²	119	119.1 Å²	119.1	73%	0.73	56%	0.56	S	S	*	*	H	α-helix	trans	-56.6	-34.6	173.7	-53.2	0	0	0	0	111.3	R265 F266	T262-R265 PolarHBondContact O-N 2.94Å; T262-F266 WeakPolarHBondContact O-CB 3.46Å; T262-F266 PolarHBondContact O-N 3.26Å
263	K	83.4	Confident	81.7	Confident	171 Å²	171	116.6 Å²	116.6	74%	0.743	55%	0.551	S	S	*	*	H	α-helix	trans	-63.6	-46.7	174.8	-174.7	-179.6	178.6	-177.4	0	111.6	S261 F266 L267	S261-K263 PolarHBondContact O-N 2.77Å; K263-F266 PolarHBondContact O-N 2.84Å; K263-L267 VanDerWaalsContact O-CB 3.31Å; K263-L267 WeakPolarHBondContact O-CB 3.27Å; K263-L267 PolarHBondContact O-N 3.15Å
264	E	83.2	Confident	79.9	Confident	96 Å²	96	120.6 Å²	120.6	45%	0.449	57%	0.565	S	S	.	*	H	α-helix	trans	-61.9	-42.4	175.4	-79.4	151.6	-129.2	0	0	112.3	Q260 S261 L267 T268	Q260-E264 WeakPolarHBondContact CA-OE2 3.27Å; S261-E264 WeakPolarHBondContact CB-OE1 3.39Å; S261-E264 PolarHBondContact N-OE2 2.89Å; S261-E264 WeakPolarHBondContact O-CB 2.82Å; S261-E264 PolarHBondContact O-N 2.57Å; S261-E264 VanDerWaalsContact O-N 3.09Å; S261-E264 WeakPolarHBondContact OG-CB 3.47Å; S261-E264 VanDerWaalsContact OG-CG 3.28Å; S261-E264 WeakPolarHBondContact OG-CG 3.35Å; S261-E264 PolarHBondContact OG-N 3.02Å; S261-E264 VanDerWaalsContact OG-N 3.08Å; S261-E264 PolarHBondContact OG-OE1 3Å; E264-L267 PolarHBondContact O-N 3.37Å; E264-T268 VanDerWaalsContact O-CB 3.3Å; E264-T268 WeakPolarHBondContact O-CB 3.48Å; E264-T268 PolarHBondContact O-N 2.84Å; E264-T268 PolarHBondContact O-OG1 3.5Å
265	R	82.3	Confident	78.3	Confident	136 Å²	136	119.8 Å²	119.8	51%	0.513	58%	0.581	S	S	.	*	H	α-helix	trans	-61.8	-47.2	176.2	-70.7	-178.3	-174.4	171.5	1.3	111.3	Q260 S261 T262 L267 T268 E269	Q260-R265 HydrophobicContact CB-CG 4.06Å; S261-R265 PolarHBondContact O-N 3.47Å; T262-R265 PolarHBondContact O-N 2.94Å; R265-L267 VanDerWaalsContact C-N 3.32Å; R265-L267 PolarHBondContact O-N 3.37Å; R265-T268 PolarHBondContact O-N 2.94Å; R265-E269 WeakPolarHBondContact O-CB 3.44Å; R265-E269 PolarHBondContact O-N 2.95Å
266	F	79.7	Confident	76.5	Confident	148 Å²	148	115.1 Å²	115.1	65%	0.649	57%	0.567	S	S	*	*	H	α-helix	trans	-61.6	-41	177.4	-173.8	-96.5	0	0	0	112	T262 K263 R270	T262-F266 WeakPolarHBondContact O-CB 3.46Å; T262-F266 PolarHBondContact O-N 3.26Å; K263-F266 PolarHBondContact O-N 2.84Å; F266-R270 WeakPolarHBondContact O-CB 3.36Å; F266-R270 PolarHBondContact O-N 3.07Å
267	L	77.3	Confident	74.9	Confident	88 Å²	88	113.7 Å²	113.7	46%	0.461	57%	0.567	S	S	.	*	H	α-helix	trans	-65.1	-46.9	176.2	-158.7	81.6	0	0	0	111.2	K263 E264 R265 E269 R270 F271	K263-L267 VanDerWaalsContact O-CB 3.31Å; K263-L267 WeakPolarHBondContact O-CB 3.27Å; K263-L267 PolarHBondContact O-N 3.15Å; E264-L267 PolarHBondContact O-N 3.37Å; R265-L267 VanDerWaalsContact C-N 3.32Å; R265-L267 PolarHBondContact O-N 3.37Å; L267-E269 VanDerWaalsContact C-N 3.32Å; L267-E269 PolarHBondContact O-N 3.22Å; L267-R270 WeakPolarHBondContact O-CB 3.39Å; L267-R270 PolarHBondContact O-N 3.21Å; L267-F271 HydrophobicContact CD1-CE2 4.04Å; L267-F271 HydrophobicContact CD2-CE2 4.14Å; L267-F271 HydrophobicContact CG-CD2 3.93Å; L267-F271 HydrophobicContact CG-CE2 3.71Å; L267-F271 WeakPolarHBondContact O-CD2 3.25Å; L267-F271 PolarHBondContact O-N 3.37Å
268	T	76.9	Confident	73.5	Confident	80 Å²	80	110.7 Å²	110.7	49%	0.491	55%	0.549	S	S	.	.	H	α-helix	trans	-61.2	-41.4	178.1	-55.1	0	0	0	0	111.3	E264 R265 F271 R272	E264-T268 VanDerWaalsContact O-CB 3.3Å; E264-T268 WeakPolarHBondContact O-CB 3.48Å; E264-T268 PolarHBondContact O-N 2.84Å; E264-T268 PolarHBondContact O-OG1 3.5Å; R265-T268 PolarHBondContact O-N 2.94Å; T268-F271 PolarHBondContact O-N 3.19Å; T268-R272 PolarHBondContact O-N 3.14Å
269	E	73.1	Confident	72.4	Confident	131 Å²	131	110.1 Å²	110.1	61%	0.612	55%	0.55	S	S	*	.	H	α-helix	trans	-66.1	-39.5	176.9	-160.3	63.8	-157.4	0	0	111.2	R265 L267 F271 R272	R265-E269 WeakPolarHBondContact O-CB 3.44Å; R265-E269 PolarHBondContact O-N 2.95Å; L267-E269 VanDerWaalsContact C-N 3.32Å; L267-E269 PolarHBondContact O-N 3.22Å; E269-F271 VanDerWaalsContact C-N 3.33Å; E269-F271 PolarHBondContact O-N 3.35Å; E269-R272 WeakPolarHBondContact O-CB 3.5Å; E269-R272 PolarHBondContact O-N 3Å
270	R	69.4	Low	71.6	Confident	197 Å²	197	104.3 Å²	104.3	74%	0.743	53%	0.53	S	S	*	.	H	α-helix	trans	-64.2	-35.2	174.9	-179	177.6	173.7	173.1	-1.5	112.9	F266 L267 R272	F266-R270 WeakPolarHBondContact O-CB 3.36Å; F266-R270 PolarHBondContact O-N 3.07Å; L267-R270 WeakPolarHBondContact O-CB 3.39Å; L267-R270 PolarHBondContact O-N 3.21Å; R270-R272 VanDerWaalsContact C-N 3.32Å
271	F	68	Low	71.4	Confident	123 Å²	123	105.8 Å²	105.8	54%	0.539	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.1	176.8	-77	-70.6	0	0	0	113.5	L267 T268 E269 T273 L550	L267-F271 HydrophobicContact CD1-CE2 4.04Å; L267-F271 HydrophobicContact CD2-CE2 4.14Å; L267-F271 HydrophobicContact CG-CD2 3.93Å; L267-F271 HydrophobicContact CG-CE2 3.71Å; L267-F271 WeakPolarHBondContact O-CD2 3.25Å; L267-F271 PolarHBondContact O-N 3.37Å; T268-F271 PolarHBondContact O-N 3.19Å; E269-F271 VanDerWaalsContact C-N 3.33Å; E269-F271 PolarHBondContact O-N 3.35Å; F271-T273 PolarHBondContact O-N 2.86Å; F271-L550 HydrophobicContact CD1-CD2 3.84Å; F271-L550 HydrophobicContact CE1-CD2 3.8Å
272	R	65.7	Low	71.3	Confident	158 Å²	158	109.5 Å²	109.5	60%	0.596	55%	0.547	S	S	*	.	S	Bend	trans	-74.6	125.7	176	-162.2	178.9	-179.7	96.9	1.8	109	T268 E269 R270 Q274	T268-R272 PolarHBondContact O-N 3.14Å; E269-R272 WeakPolarHBondContact O-CB 3.5Å; E269-R272 PolarHBondContact O-N 3Å; R270-R272 VanDerWaalsContact C-N 3.32Å; R272-Q274 PolarHBondContact O-N 3.38Å
273	T	63.3	Low	71.6	Confident	37 Å²	37	104.2 Å²	104.2	23%	0.227	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-57.5	126.6	174.7	47	0	0	0	0	110	F271 G275 G276 N547	F271-T273 PolarHBondContact O-N 2.86Å; T273-G275 PolarHBondContact O-N 2.71Å; T273-G276 WeakPolarHBondContact CB-O 3.48Å; T273-G276 PolarHBondContact O-N 2.71Å; T273-G276 VanDerWaalsContact O-N 3.12Å; T273-G276 PolarHBondContact OG1-O 2.93Å; T273-N547 WeakPolarHBondContact CG2-OD1 3.42Å
274	Q	56	Low	71.9	Confident	156 Å²	156	100.8 Å²	100.8	73%	0.729	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	122.3	173.3	-68.3	-167.7	-0.9	0	0	109.1	R272	R272-Q274 PolarHBondContact O-N 3.38Å
275	G	58	Low	72.3	Confident	79 Å²	79	101 Å²	101	81%	0.814	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.5	7.4	-173.4	0	0	0	0	0	115	T273	T273-G275 PolarHBondContact O-N 2.71Å
276	G	56.8	Low	72.6	Confident	27 Å²	27	95.7 Å²	95.7	28%	0.278	50%	0.498	S	S	.	.	S	Bend	trans	88	171.7	179.7	0	0	0	0	0	112.7	T273 Q278	T273-G276 WeakPolarHBondContact CB-O 3.48Å; T273-G276 PolarHBondContact O-N 2.71Å; T273-G276 VanDerWaalsContact O-N 3.12Å; T273-G276 PolarHBondContact OG1-O 2.93Å; G276-Q278 PolarHBondContact O-N 3.47Å
277	S	57.1	Low	73.2	Confident	90 Å²	90	89.1 Å²	89.1	63%	0.629	47%	0.47	S	S	*	.			trans	-67.9	104.3	179.5	62	0	0	0	0	108.9	V279	S277-V279 PolarHBondContact O-N 2.99Å
278	Q	58.4	Low	73.7	Confident	67 Å²	67	87.9 Å²	87.9	31%	0.313	46%	0.459	S	S	.	.			trans	-72.1	32.5	169.3	-64.9	-174.5	-0.3	0	0	111.6	G276 L418 P578	G276-Q278 PolarHBondContact O-N 3.47Å; Q278-L418 VanDerWaalsContact C-CD1 3.42Å; Q278-L418 HydrophobicContact CB-CD1 3.71Å; Q278-L418 HydrophobicContact CG-CD1 4.41Å; Q278-L418 WeakPolarHBondContact O-CD1 3.4Å; Q278-P578 PolarHBondContact OE1-O 3.04Å
279	V	66	Low	74.3	Confident	109 Å²	109	88.4 Å²	88.4	66%	0.661	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-96.7	120.2	-176.3	-178.4	0	0	0	0	107.5	S277 Q281	S277-V279 PolarHBondContact O-N 2.99Å; V279-Q281 PolarHBondContact O-N 3.22Å
280	Q	70.1	Confident	75.1	Confident	36 Å²	36	86.3 Å²	86.3	17%	0.168	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-72	126.5	170.6	-72.6	-176.6	14.9	0	0	109.9	L307 L418	Q280-L307 HydrophobicContact CB-CD1 3.5Å; Q280-L307 VanDerWaalsContact CB-CD1 3.5Å; Q280-L307 HydrophobicContact CB-CG 3.82Å; Q280-L307 HydrophobicContact CG-CD1 4.47Å; Q280-L418 HydrophobicContact CG-CB 4.04Å; Q280-L418 PolarHBondContact NE2-O 3.13Å
281	Q	82.1	Confident	76.2	Confident	129 Å²	129	77 Å²	77	60%	0.603	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-73.1	137.9	177.4	-64.1	-178.1	9.2	0	0	110.5	V279 K306 L307	V279-Q281 PolarHBondContact O-N 3.22Å; Q281-K306 HydrophobicContact CB-CD 4.42Å; Q281-K306 HydrophobicContact CB-CG 4.41Å; Q281-K306 WeakPolarHBondContact O-CA 3.27Å; Q281-K306 VanDerWaalsContact O-CB 3.32Å; Q281-K306 WeakPolarHBondContact O-CB 3.35Å; Q281-L307 PolarHBondContact O-N 2.96Å
282	F	87.2	Confident	77.2	Confident	123 Å²	123	74.3 Å²	74.3	54%	0.539	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	144.6	167.7	-55.7	-46	0	0	0	110.8	S284 L307 F309	F282-S284 PolarHBondContact O-N 3.45Å; F282-L307 HydrophobicContact CD1-CB 3.83Å; F282-L307 HydrophobicContact CD1-CD1 4.06Å; F282-L307 HydrophobicContact CE1-CB 4.41Å; F282-L307 HydrophobicContact CE1-CD1 3.86Å; F282-F309 HydrophobicContact CB-CE2 4.15Å; F282-F309 HydrophobicContact CD1-CE1 4.46Å; F282-F309 AromaticContact CD1-CE2 3.76Å; F282-F309 HydrophobicContact CD1-CE2 3.76Å; F282-F309 AromaticContact CD1-CZ 3.42Å; F282-F309 HydrophobicContact CD1-CZ 3.42Å; F282-F309 VanDerWaalsContact CD1-CZ 3.42Å; F282-F309 HydrophobicContact CD2-CZ 4.3Å; F282-F309 HydrophobicContact CE1-CE1 4.29Å; F282-F309 HydrophobicContact CE1-CE2 4.34Å; F282-F309 AromaticContact CE1-CZ 3.53Å; F282-F309 HydrophobicContact CE1-CZ 3.53Å; F282-F309 HydrophobicContact CE2-CZ 4.37Å; F282-F309 AromaticContact CG-CE2 3.9Å; F282-F309 HydrophobicContact CG-CE2 3.9Å; F282-F309 AromaticContact CG-CZ 3.86Å; F282-F309 HydrophobicContact CG-CZ 3.86Å; F282-F309 HydrophobicContact CZ-CZ 4.02Å
283	C	89.7	Confident	78.4	Confident	8 Å²	8	72.9 Å²	72.9	5%	0.054	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	132.7	170.5	-173.4	0	0	0	0	109.2	Y285 G286 K306 L307 H308	C283-Y285 PolarHBondContact O-N 3.01Å; C283-G286 PolarHBondContact O-N 3.47Å; C283-K306 HydrophobicContact CB-CB 3.95Å; C283-L307 WeakPolarHBondContact CB-O 3.47Å; C283-L307 PolarHBondContact N-O 3.35Å; C283-H308 WeakPolarHBondContact CB-CD2 3.42Å; C283-H308 VanDerWaalsContact CB-NE2 3.31Å; C283-H308 WeakPolarHBondContact CB-NE2 3.14Å; C283-H308 PolarHBondContact SG-NE2 3.13Å
284	S	90.7	Very high	79.7	Confident	99 Å²	99	72.9 Å²	72.9	69%	0.692	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.3	-15.3	178.3	51.1	0	0	0	0	113.5	F282	F282-S284 PolarHBondContact O-N 3.45Å
285	Y	90.7	Very high	81.2	Confident	99 Å²	99	67.2 Å²	67.2	39%	0.388	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-0	176.7	-54.7	-65.8	0	0	0	113.1	C283 T287 C291 V294	C283-Y285 PolarHBondContact O-N 3.01Å; Y285-T287 VanDerWaalsContact C-N 3.31Å; Y285-T287 PolarHBondContact O-N 2.89Å; Y285-C291 HydrophobicContact CD2-CB 4.11Å; Y285-C291 HydrophobicContact CG-CB 4.49Å; Y285-V294 HydrophobicContact CD1-CB 4.36Å; Y285-V294 HydrophobicContact CD1-CG2 3.87Å; Y285-V294 HydrophobicContact CE1-CB 4Å; Y285-V294 HydrophobicContact CE1-CG1 3.76Å; Y285-V294 HydrophobicContact CE1-CG2 3.75Å; Y285-V294 HydrophobicContact CE2-CB 4.36Å; Y285-V294 HydrophobicContact CE2-CG1 4.22Å; Y285-V294 HydrophobicContact CG-CG2 4.5Å; Y285-V294 WeakPolarHBondContact OH-CG1 3.28Å
286	G	89.4	Confident	82.6	Confident	26 Å²	26	67.6 Å²	67.6	27%	0.268	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	70.4	-78.5	177.6	0	0	0	0	0	113.2	C283 H308 F309	C283-G286 PolarHBondContact O-N 3.47Å; G286-H308 WeakPolarHBondContact O-CA 3.29Å; G286-F309 PolarHBondContact O-N 3.31Å
287	T	91.2	Very high	84.1	Confident	10 Å²	10	76.4 Å²	76.4	6%	0.061	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	152.1	-177.7	74.5	0	0	0	0	112.7	Y285 T289 E290 C291 F309 Y341	Y285-T287 VanDerWaalsContact C-N 3.31Å; Y285-T287 PolarHBondContact O-N 2.89Å; T287-T289 VanDerWaalsContact C-N 3.26Å; T287-T289 PolarHBondContact O-N 2.85Å; T287-T289 PolarHBondContact OG1-OG1 3.03Å; T287-E290 WeakPolarHBondContact CB-OE2 3.43Å; T287-E290 WeakPolarHBondContact CG2-OE2 3.38Å; T287-E290 PolarHBondContact N-OE2 2.94Å; T287-E290 PolarHBondContact O-N 3.46Å; T287-E290 WeakPolarHBondContact OG1-CB 3.4Å; T287-E290 VanDerWaalsContact OG1-CD 3.25Å; T287-E290 VanDerWaalsContact OG1-CG 3.28Å; T287-E290 WeakPolarHBondContact OG1-CG 3.38Å; T287-E290 PolarHBondContact OG1-N 3.23Å; T287-E290 PolarHBondContact OG1-OE2 3.09Å; T287-C291 PolarHBondContact O-N 2.85Å; T287-F309 WeakPolarHBondContact CA-O 3.34Å; T287-Y341 HydrophobicContact CG2-CE1 4.25Å
288	R	87.6	Confident	85.6	Confident	62 Å²	62	76.6 Å²	76.6	23%	0.234	40%	0.403	C	S	.	.	H	α-helix	trans	-62.6	-36.3	175.2	177.5	178.6	-91.4	-175.7	0	112.2	E290 C291 S292 H308 D344 T346 D347	R288-E290 VanDerWaalsContact C-N 3.32Å; R288-E290 PolarHBondContact O-N 3.32Å; R288-C291 PolarHBondContact O-N 2.96Å; R288-S292 WeakPolarHBondContact O-CB 3.37Å; R288-S292 PolarHBondContact O-N 3.03Å; R288-S292 PolarHBondContact O-OG 3.39Å; R288-H308 HydrophobicContact CB-CB 4.02Å; R288-D344 IonicContact NE-OD2 2.68Å; R288-T346 PolarHBondContact NH1-OG1 3.02Å; R288-T346 VanDerWaalsContact NH2-C 3.28Å; R288-T346 PolarHBondContact NH2-O 3.24Å; R288-T346 PolarHBondContact NH2-OG1 2.78Å; R288-T346 VanDerWaalsContact NH2-OG1 3.16Å; R288-D347 IonicContact CZ-OD1 3.32Å; R288-D347 IonicContact CZ-OD2 2.96Å; R288-D347 IonicContact NE-OD1 3.99Å; R288-D347 IonicContact NE-OD2 2.73Å; R288-D347 PolarHBondContact NE-OD2 3.4Å; R288-D347 IonicContact NH2-OD1 3.69Å; R288-D347 PolarHBondContact NH2-OD1 3.21Å; R288-D347 IonicContact NH2-OD2 3.66Å; R288-D347 PolarHBondContact NH2-OD2 2.83Å
289	T	88.9	Confident	86.7	Confident	90 Å²	90	76 Å²	76	55%	0.552	42%	0.415	S	S	*	.	H	α-helix	trans	-63.4	-40.9	179.7	67.6	0	0	0	0	111.2	T287 K293	T287-T289 VanDerWaalsContact C-N 3.26Å; T287-T289 PolarHBondContact O-N 2.85Å; T287-T289 PolarHBondContact OG1-OG1 3.03Å; T289-K293 VanDerWaalsContact O-CG 3.24Å; T289-K293 WeakPolarHBondContact O-CG 3.19Å; T289-K293 PolarHBondContact O-N 2.74Å
290	E	91.4	Very high	87.5	Confident	87 Å²	87	74.1 Å²	74.1	41%	0.407	40%	0.401	S	S	.	.	H	α-helix	trans	-70.2	-44.4	176.3	-72.2	163.4	147.9	0	0	111.7	T287 R288 S292 K293 V294	T287-E290 WeakPolarHBondContact CB-OE2 3.43Å; T287-E290 WeakPolarHBondContact CG2-OE2 3.38Å; T287-E290 PolarHBondContact N-OE2 2.94Å; T287-E290 PolarHBondContact O-N 3.46Å; T287-E290 WeakPolarHBondContact OG1-CB 3.4Å; T287-E290 VanDerWaalsContact OG1-CD 3.25Å; T287-E290 VanDerWaalsContact OG1-CG 3.28Å; T287-E290 WeakPolarHBondContact OG1-CG 3.38Å; T287-E290 PolarHBondContact OG1-N 3.23Å; T287-E290 PolarHBondContact OG1-OE2 3.09Å; R288-E290 VanDerWaalsContact C-N 3.32Å; R288-E290 PolarHBondContact O-N 3.32Å; E290-S292 VanDerWaalsContact C-N 3.29Å; E290-S292 PolarHBondContact O-N 3.04Å; E290-K293 PolarHBondContact O-N 3.12Å; E290-V294 WeakPolarHBondContact O-CG2 3.27Å; E290-V294 PolarHBondContact O-N 3.26Å
291	C	91.8	Very high	88	Confident	3 Å²	3	82.3 Å²	82.3	2%	0.02	44%	0.436	C	S	.	.	H	α-helix	trans	-55.2	-47	173.9	-177.1	0	0	0	0	111.3	Y285 T287 R288 V294 K295 H308	Y285-C291 HydrophobicContact CD2-CB 4.11Å; Y285-C291 HydrophobicContact CG-CB 4.49Å; T287-C291 PolarHBondContact O-N 2.85Å; R288-C291 PolarHBondContact O-N 2.96Å; C291-V294 PolarHBondContact O-N 3.4Å; C291-K295 WeakPolarHBondContact O-CB 3.47Å; C291-K295 WeakPolarHBondContact O-CG 3.44Å; C291-K295 PolarHBondContact O-N 2.91Å; C291-H308 WeakPolarHBondContact CB-NE2 3.46Å; C291-H308 PolarHBondContact SG-NE2 2.98Å; C291-H308 VanDerWaalsContact SG-NE2 3.42Å
292	S	89.2	Confident	88	Confident	66 Å²	66	84.2 Å²	84.2	46%	0.462	44%	0.442	S	S	.	.	H	α-helix	trans	-65.5	-40.4	-179.5	-55.8	0	0	0	0	112.1	R288 E290 K295 A296	R288-S292 WeakPolarHBondContact O-CB 3.37Å; R288-S292 PolarHBondContact O-N 3.03Å; R288-S292 PolarHBondContact O-OG 3.39Å; E290-S292 VanDerWaalsContact C-N 3.29Å; E290-S292 PolarHBondContact O-N 3.04Å; S292-K295 PolarHBondContact O-N 3.21Å; S292-A296 WeakPolarHBondContact O-CB 3.36Å; S292-A296 PolarHBondContact O-N 3.06Å
293	K	91.4	Very high	87.6	Confident	128 Å²	128	83.4 Å²	83.4	56%	0.557	44%	0.436	S	S	*	.	H	α-helix	trans	-61.3	-43.2	175.1	-75.9	168.7	-175.9	174.6	0	111.8	T289 E290 R297	T289-K293 VanDerWaalsContact O-CG 3.24Å; T289-K293 WeakPolarHBondContact O-CG 3.19Å; T289-K293 PolarHBondContact O-N 2.74Å; E290-K293 PolarHBondContact O-N 3.12Å; K293-R297 WeakPolarHBondContact O-CG 3.29Å; K293-R297 PolarHBondContact O-N 3.46Å
294	V	89.7	Confident	87.4	Confident	37 Å²	37	84 Å²	84	22%	0.224	44%	0.439	C	S	.	.	H	α-helix	trans	-69.6	-41.7	179	178	0	0	0	0	110.8	Y285 E290 C291 A296 R297 T298	Y285-V294 HydrophobicContact CD1-CB 4.36Å; Y285-V294 HydrophobicContact CD1-CG2 3.87Å; Y285-V294 HydrophobicContact CE1-CB 4Å; Y285-V294 HydrophobicContact CE1-CG1 3.76Å; Y285-V294 HydrophobicContact CE1-CG2 3.75Å; Y285-V294 HydrophobicContact CE2-CB 4.36Å; Y285-V294 HydrophobicContact CE2-CG1 4.22Å; Y285-V294 HydrophobicContact CG-CG2 4.5Å; Y285-V294 WeakPolarHBondContact OH-CG1 3.28Å; E290-V294 WeakPolarHBondContact O-CG2 3.27Å; E290-V294 PolarHBondContact O-N 3.26Å; C291-V294 PolarHBondContact O-N 3.4Å; V294-A296 VanDerWaalsContact C-N 3.33Å; V294-A296 PolarHBondContact O-N 3.14Å; V294-R297 WeakPolarHBondContact O-CA 3.46Å; V294-R297 WeakPolarHBondContact O-CB 3.47Å; V294-R297 PolarHBondContact O-N 3.09Å; V294-T298 HydrophobicContact CG1-CG2 4.11Å; V294-T298 WeakPolarHBondContact O-CG2 3.15Å; V294-T298 PolarHBondContact O-N 3.07Å; V294-T298 PolarHBondContact O-OG1 3.03Å
295	K	87.7	Confident	86.9	Confident	37 Å²	37	84.2 Å²	84.2	16%	0.161	44%	0.437	C	S	.	.	H	α-helix	trans	-60.2	-40.4	174.9	-75.3	-167.9	172.7	-146.2	0	113.2	C291 S292 R297 T298 G299 D300 K302	C291-K295 WeakPolarHBondContact O-CB 3.47Å; C291-K295 WeakPolarHBondContact O-CG 3.44Å; C291-K295 PolarHBondContact O-N 2.91Å; S292-K295 PolarHBondContact O-N 3.21Å; K295-R297 PolarHBondContact O-N 3.42Å; K295-T298 PolarHBondContact O-N 3.47Å; K295-T298 PolarHBondContact O-OG1 3.47Å; K295-G299 PolarHBondContact O-N 3.31Å; K295-D300 WeakPolarHBondContact CE-OD2 3.33Å; K295-D300 HydrophobicContact CG-CB 4.34Å; K295-D300 IonicContact NZ-OD2 3.08Å; K295-D300 PolarHBondContact NZ-OD2 3.48Å; K295-D300 VanDerWaalsContact NZ-OD2 3.08Å; K295-D300 PolarHBondContact O-N 3.39Å; K295-K302 PolarHBondContact NZ-O 3.1Å
296	A	87.5	Confident	86.6	Confident	86 Å²	86	83.2 Å²	83.2	71%	0.711	43%	0.434	S	S	*	.	H	α-helix	trans	-61	-32.6	174.1	0	0	0	0	0	112.4	S292 V294	S292-A296 WeakPolarHBondContact O-CB 3.36Å; S292-A296 PolarHBondContact O-N 3.06Å; V294-A296 VanDerWaalsContact C-N 3.33Å; V294-A296 PolarHBondContact O-N 3.14Å
297	R	88.9	Confident	86.4	Confident	212 Å²	212	82.3 Å²	82.3	80%	0.8	42%	0.424	S	S	*	.	H	α-helix	trans	-79.5	-38.4	176.8	-67.1	173.8	-174.4	-177.6	1	113.3	K293 V294 K295	K293-R297 WeakPolarHBondContact O-CG 3.29Å; K293-R297 PolarHBondContact O-N 3.46Å; V294-R297 WeakPolarHBondContact O-CA 3.46Å; V294-R297 WeakPolarHBondContact O-CB 3.47Å; V294-R297 PolarHBondContact O-N 3.09Å; K295-R297 PolarHBondContact O-N 3.42Å
298	T	88.2	Confident	86.3	Confident	95 Å²	95	82 Å²	82	58%	0.583	42%	0.421	S	S	*	.	H	α-helix	trans	-82.8	-15.7	-178.7	59.3	0	0	0	0	113.4	V294 K295 D300	V294-T298 HydrophobicContact CG1-CG2 4.11Å; V294-T298 WeakPolarHBondContact O-CG2 3.15Å; V294-T298 PolarHBondContact O-N 3.07Å; V294-T298 PolarHBondContact O-OG1 3.03Å; K295-T298 PolarHBondContact O-N 3.47Å; K295-T298 PolarHBondContact O-OG1 3.47Å; T298-D300 VanDerWaalsContact C-N 3.3Å
299	G	82.2	Confident	86.5	Confident	55 Å²	55	81.4 Å²	81.4	57%	0.567	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	10.3	-175.6	0	0	0	0	0	114	K295 K301	K295-G299 PolarHBondContact O-N 3.31Å; G299-K301 PolarHBondContact O-N 2.88Å; G299-K301 VanDerWaalsContact O-N 3.08Å
300	D	82.8	Confident	86.5	Confident	68 Å²	68	83.4 Å²	83.4	36%	0.364	42%	0.418	S	S	.	.			trans	-72	102.5	175.4	-179.6	22.3	0	0	0	110.5	K295 T298 K302	K295-D300 WeakPolarHBondContact CE-OD2 3.33Å; K295-D300 HydrophobicContact CG-CB 4.34Å; K295-D300 IonicContact NZ-OD2 3.08Å; K295-D300 PolarHBondContact NZ-OD2 3.48Å; K295-D300 VanDerWaalsContact NZ-OD2 3.08Å; K295-D300 PolarHBondContact O-N 3.39Å; T298-D300 VanDerWaalsContact C-N 3.3Å; D300-K302 VanDerWaalsContact C-N 3.31Å; D300-K302 WeakPolarHBondContact OD1-CB 3.5Å; D300-K302 PolarHBondContact OD1-N 3.33Å
301	K	79.2	Confident	86.6	Confident	209 Å²	209	83.2 Å²	83.2	91%	0.909	42%	0.416	S	S	*	.			trans	-79.9	-10.2	177.1	-64.6	-175.5	-179.1	-179.4	0	113.3	G299	G299-K301 PolarHBondContact O-N 2.88Å; G299-K301 VanDerWaalsContact O-N 3.08Å
302	K	82.4	Confident	86.4	Confident	168 Å²	168	85.3 Å²	85.3	73%	0.73	43%	0.426	S	S	*	.	S	Bend	trans	-69.7	140.2	178.9	-66.5	-175.5	178.3	-178.8	0	109	K295 D300	K295-K302 PolarHBondContact NZ-O 3.1Å; D300-K302 VanDerWaalsContact C-N 3.31Å; D300-K302 WeakPolarHBondContact OD1-CB 3.5Å; D300-K302 PolarHBondContact OD1-N 3.33Å
303	R	80	Confident	86.5	Confident	107 Å²	107	86 Å²	86	40%	0.404	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-68.3	145.1	173.4	-174.4	167.8	165.2	-146.7	-16.6	110.6	D347 N350	R303-D347 IonicContact CZ-OD1 3.45Å; R303-D347 IonicContact NE-OD1 3.08Å; R303-D347 PolarHBondContact NE-OD1 3.06Å; R303-D347 PolarHBondContact NH2-O 3.24Å; R303-D347 IonicContact NH2-OD1 3.84Å; R303-D347 PolarHBondContact NH2-OD1 3.35Å; R303-N350 VanDerWaalsContact CZ-CB 3.48Å; R303-N350 PolarHBondContact NH1-O 2.92Å; R303-N350 VanDerWaalsContact NH2-CB 3.31Å
304	C	83.9	Confident	86.5	Confident	19 Å²	19	82.6 Å²	82.6	13%	0.128	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-77.3	126.8	175.6	-171.9	0	0	0	0	109.6	H308	C304-H308 PolarHBondContact SG-CE1 3.25Å
305	T	80.5	Confident	86.6	Confident	105 Å²	105	87.5 Å²	87.5	64%	0.644	44%	0.442	S	S	*	.			trans	-93.7	-4	178.2	54	0	0	0	0	113
306	K	84.9	Confident	86.9	Confident	77 Å²	77	88.9 Å²	88.9	34%	0.335	45%	0.449	S	S	.	.	S	Bend	trans	-82.1	157	179.6	-62.1	-174.2	176.9	-171.3	0	111	Q281 C283 H308	Q281-K306 HydrophobicContact CB-CD 4.42Å; Q281-K306 HydrophobicContact CB-CG 4.41Å; Q281-K306 WeakPolarHBondContact O-CA 3.27Å; Q281-K306 VanDerWaalsContact O-CB 3.32Å; Q281-K306 WeakPolarHBondContact O-CB 3.35Å; C283-K306 HydrophobicContact CB-CB 3.95Å; K306-H308 PolarHBondContact O-CE1 3.16Å; K306-H308 VanDerWaalsContact O-CE1 3.29Å; K306-H308 PolarHBondContact O-ND1 3.07Å
307	L	84.3	Confident	87.2	Confident	8 Å²	8	85.7 Å²	85.7	4%	0.042	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	134	176.3	-79.7	176.1	0	0	0	111.4	Q280 Q281 F282 C283 I343 L420	Q280-L307 HydrophobicContact CB-CD1 3.5Å; Q280-L307 VanDerWaalsContact CB-CD1 3.5Å; Q280-L307 HydrophobicContact CB-CG 3.82Å; Q280-L307 HydrophobicContact CG-CD1 4.47Å; Q281-L307 PolarHBondContact O-N 2.96Å; F282-L307 HydrophobicContact CD1-CB 3.83Å; F282-L307 HydrophobicContact CD1-CD1 4.06Å; F282-L307 HydrophobicContact CE1-CB 4.41Å; F282-L307 HydrophobicContact CE1-CD1 3.86Å; C283-L307 WeakPolarHBondContact CB-O 3.47Å; C283-L307 PolarHBondContact N-O 3.35Å; L307-I343 HydrophobicContact CD2-CG2 3.92Å; L307-L420 HydrophobicContact CD1-CD1 4.16Å; L307-L420 HydrophobicContact CD2-CD1 4.4Å
308	H	90.2	Very high	87.4	Confident	2 Å²	2	79 Å²	79	1%	0.009	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	160.7	170.4	-59.8	93.7	0	0	0	110.3	C283 G286 R288 C291 C304 K306 D344 D347	C283-H308 WeakPolarHBondContact CB-CD2 3.42Å; C283-H308 VanDerWaalsContact CB-NE2 3.31Å; C283-H308 WeakPolarHBondContact CB-NE2 3.14Å; C283-H308 PolarHBondContact SG-NE2 3.13Å; G286-H308 WeakPolarHBondContact O-CA 3.29Å; R288-H308 HydrophobicContact CB-CB 4.02Å; C291-H308 WeakPolarHBondContact CB-NE2 3.46Å; C291-H308 PolarHBondContact SG-NE2 2.98Å; C291-H308 VanDerWaalsContact SG-NE2 3.42Å; C304-H308 PolarHBondContact SG-CE1 3.25Å; K306-H308 PolarHBondContact O-CE1 3.16Å; K306-H308 VanDerWaalsContact O-CE1 3.29Å; K306-H308 PolarHBondContact O-ND1 3.07Å; H308-D344 HydrophobicContact CB-CB 4.33Å; H308-D344 WeakPolarHBondContact O-CB 3.16Å; H308-D344 PolarHBondContact O-N 3.49Å; H308-D347 IonicContact CE1-OD2 3.46Å; H308-D347 PolarHBondContact CE1-OD2 2.95Å; H308-D347 IonicContact CG-OD2 3.98Å; H308-D347 IonicContact ND1-OD2 3.06Å; H308-D347 PolarHBondContact ND1-OD2 3.29Å
309	F	91.8	Very high	87.7	Confident	50 Å²	50	79.6 Å²	79.6	22%	0.219	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	149.8	173.7	-58.7	-83.4	0	0	0	110.9	F282 G286 T287 Y341 T342 I343	F282-F309 HydrophobicContact CB-CE2 4.15Å; F282-F309 HydrophobicContact CD1-CE1 4.46Å; F282-F309 AromaticContact CD1-CE2 3.76Å; F282-F309 HydrophobicContact CD1-CE2 3.76Å; F282-F309 AromaticContact CD1-CZ 3.42Å; F282-F309 HydrophobicContact CD1-CZ 3.42Å; F282-F309 VanDerWaalsContact CD1-CZ 3.42Å; F282-F309 HydrophobicContact CD2-CZ 4.3Å; F282-F309 HydrophobicContact CE1-CE1 4.29Å; F282-F309 HydrophobicContact CE1-CE2 4.34Å; F282-F309 AromaticContact CE1-CZ 3.53Å; F282-F309 HydrophobicContact CE1-CZ 3.53Å; F282-F309 HydrophobicContact CE2-CZ 4.37Å; F282-F309 AromaticContact CG-CE2 3.9Å; F282-F309 HydrophobicContact CG-CE2 3.9Å; F282-F309 AromaticContact CG-CZ 3.86Å; F282-F309 HydrophobicContact CG-CZ 3.86Å; F282-F309 HydrophobicContact CZ-CZ 4.02Å; G286-F309 PolarHBondContact O-N 3.31Å; T287-F309 WeakPolarHBondContact CA-O 3.34Å; F309-Y341 HydrophobicContact CB-CD1 3.96Å; F309-T342 CarbonylContact C-O 3.58Å; F309-T342 VanDerWaalsContact CA-O 3.29Å; F309-T342 WeakPolarHBondContact CA-O 3.47Å; F309-I343 HydrophobicContact CD1-CG1 4.41Å; F309-I343 HydrophobicContact CE1-CG1 4.16Å
310	R	89.6	Confident	88.3	Confident	132 Å²	132	81.8 Å²	81.8	50%	0.498	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	140.5	165.7	66	-179.5	169.9	104.2	1.4	109.2	Y341 T342 D344	R310-Y341 WeakPolarHBondContact O-CA 3.37Å; R310-T342 HydrophobicContact CG-CG2 3.39Å; R310-T342 PolarHBondContact N-O 3.15Å; R310-T342 VanDerWaalsContact NE-CG2 3.28Å; R310-T342 PolarHBondContact O-N 3.3Å; R310-D344 HydrophobicContact CB-CB 4.33Å
311	K	91.8	Very high	88.8	Confident	83 Å²	83	82.5 Å²	82.5	36%	0.361	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	138.7	174.4	-66.7	177.7	169.6	-175.5	0	109.9	I313 E319 V339 H340 Y341	K311-I313 HydrophobicContact CB-CD1 3.96Å; K311-I313 HydrophobicContact CB-CG1 4.01Å; K311-I313 HydrophobicContact CD-CD1 4.37Å; K311-E319 IonicContact NZ-OE2 2.7Å; K311-E319 PolarHBondContact NZ-OE2 3.01Å; K311-V339 HydrophobicContact CB-CG1 4.02Å; K311-V339 HydrophobicContact CD-CG1 3.95Å; K311-V339 HydrophobicContact CG-CG1 3.76Å; K311-H340 CarbonylContact C-O 3.54Å; K311-H340 WeakPolarHBondContact CA-O 3.41Å; K311-Y341 HydrophobicContact CG-CD1 4.1Å; K311-Y341 HydrophobicContact CG-CE1 3.53Å
312	I	89.3	Confident	89.4	Confident	48 Å²	48	73.8 Å²	73.8	25%	0.246	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	109.9	164.8	-59.9	164.4	0	0	0	105.8	H314 H340 T342	I312-H314 VanDerWaalsContact CG2-NE2 3.35Å; I312-H314 WeakPolarHBondContact CG2-NE2 3.48Å; I312-H340 HydrophobicContact CB-CB 4.04Å; I312-H340 HydrophobicContact CD1-CB 4.27Å; I312-H340 PolarHBondContact N-O 2.92Å; I312-T342 HydrophobicContact CD1-CG2 3.97Å; I312-T342 HydrophobicContact CG1-CG2 3.81Å
313	I	91.2	Very high	90	Very high	79 Å²	79	70.4 Å²	70.4	41%	0.405	37%	0.367	S	S	.	.			trans	-113.7	112.4	180	-55.8	-60	0	0	0	108	K311 T317 E319 V339	K311-I313 HydrophobicContact CB-CD1 3.96Å; K311-I313 HydrophobicContact CB-CG1 4.01Å; K311-I313 HydrophobicContact CD-CD1 4.37Å; I313-T317 HydrophobicContact CD1-CG2 3.95Å; I313-T317 HydrophobicContact CG2-CG2 4.48Å; I313-E319 HydrophobicContact CD1-CG 3.87Å; I313-V339 HydrophobicContact CD1-CG1 3.95Å; I313-V339 HydrophobicContact CD1-CG2 4.1Å
314	H	90.4	Very high	90.6	Very high	57 Å²	57	65.5 Å²	65.5	26%	0.264	35%	0.349	S	S	.	.			trans	-93.8	164	171.9	-66.2	-64.3	0	0	0	110.5	I312 H316 T317	I312-H314 VanDerWaalsContact CG2-NE2 3.35Å; I312-H314 WeakPolarHBondContact CG2-NE2 3.48Å; H314-H316 WeakPolarHBondContact CB-CE1 3.33Å; H314-H316 AromaticContact CG-CE1 3.94Å; H314-H316 PolarHBondContact O-N 3.02Å; H314-T317 WeakPolarHBondContact CB-OG1 3.46Å; H314-T317 PolarHBondContact N-OG1 3Å; H314-T317 VanDerWaalsContact O-CB 3.27Å; H314-T317 WeakPolarHBondContact O-CB 3.49Å; H314-T317 PolarHBondContact O-N 3.08Å; H314-T317 PolarHBondContact O-OG1 3.18Å
315	P	93	Very high	91	Very high	140 Å²	140	69.3 Å²	69.3	91%	0.909	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-25.3	-180	-27.4	35.6	0	0	0	115
316	H	92	Very high	91.4	Very high	67 Å²	67	70.1 Å²	70.1	31%	0.31	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-2.9	178.2	63.7	-91.9	0	0	0	113.3	H314 D334 C336	H314-H316 WeakPolarHBondContact CB-CE1 3.33Å; H314-H316 AromaticContact CG-CE1 3.94Å; H314-H316 PolarHBondContact O-N 3.02Å; H316-D334 PolarHBondContact CE1-O 3.06Å; H316-D334 PolarHBondContact ND1-O 3.4Å; H316-D334 PolarHBondContact NE2-O 3.5Å; H316-C336 PolarHBondContact CD2-O 3.33Å; H316-C336 PolarHBondContact NE2-N 2.96Å; H316-C336 PolarHBondContact NE2-O 2.91Å; H316-C336 VanDerWaalsContact NE2-O 3.07Å
317	T	94.1	Very high	91.4	Very high	19 Å²	19	72.2 Å²	72.2	12%	0.117	39%	0.385	C	S	.	.			trans	-75.7	130.1	177.8	-55.6	0	0	0	0	109.7	I313 H314 K337 V339	I313-T317 HydrophobicContact CD1-CG2 3.95Å; I313-T317 HydrophobicContact CG2-CG2 4.48Å; H314-T317 WeakPolarHBondContact CB-OG1 3.46Å; H314-T317 PolarHBondContact N-OG1 3Å; H314-T317 VanDerWaalsContact O-CB 3.27Å; H314-T317 WeakPolarHBondContact O-CB 3.49Å; H314-T317 PolarHBondContact O-N 3.08Å; H314-T317 PolarHBondContact O-OG1 3.18Å; T317-K337 WeakPolarHBondContact CA-O 3.27Å; T317-V339 HydrophobicContact CG2-CG2 4.09Å
318	D	94.3	Very high	91.1	Very high	70 Å²	70	78.8 Å²	78.8	37%	0.374	42%	0.42	S	S	.	.			trans	-115.4	107.1	176.8	-178.6	-7.9	0	0	0	109.2	S320 L321 K337	D318-S320 PolarHBondContact O-N 3.22Å; D318-S320 VanDerWaalsContact O-N 3.14Å; D318-S320 VanDerWaalsContact OD1-CB 3.27Å; D318-S320 WeakPolarHBondContact OD1-CB 3.5Å; D318-S320 PolarHBondContact OD1-N 3Å; D318-S320 PolarHBondContact OD1-OG 3.41Å; D318-S320 PolarHBondContact OD2-OG 2.85Å; D318-L321 HydrophobicContact CB-CD1 3.88Å; D318-L321 HydrophobicContact CB-CG 3.9Å; D318-L321 WeakPolarHBondContact O-CB 3.37Å; D318-L321 PolarHBondContact O-N 2.86Å; D318-L321 VanDerWaalsContact O-N 3.1Å; D318-K337 PolarHBondContact N-O 3.03Å
319	E	94	Very high	90.6	Very high	109 Å²	109	82.8 Å²	82.8	51%	0.509	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-62.2	-20	-179.7	-65.9	-163.9	-125	0	0	113.2	K311 I313 L321 G322 V339	K311-E319 IonicContact NZ-OE2 2.7Å; K311-E319 PolarHBondContact NZ-OE2 3.01Å; I313-E319 HydrophobicContact CD1-CG 3.87Å; E319-L321 VanDerWaalsContact C-N 3.31Å; E319-G322 PolarHBondContact O-N 3.45Å; E319-V339 HydrophobicContact CB-CG2 4.25Å; E319-V339 HydrophobicContact CG-CG2 3.91Å
320	S	95.1	Very high	90.4	Very high	101 Å²	101	81.2 Å²	81.2	71%	0.706	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-73.6	-23.3	177.2	76.3	0	0	0	0	113.2	D318 G322	D318-S320 PolarHBondContact O-N 3.22Å; D318-S320 VanDerWaalsContact O-N 3.14Å; D318-S320 VanDerWaalsContact OD1-CB 3.27Å; D318-S320 WeakPolarHBondContact OD1-CB 3.5Å; D318-S320 PolarHBondContact OD1-N 3Å; D318-S320 PolarHBondContact OD1-OG 3.41Å; D318-S320 PolarHBondContact OD2-OG 2.85Å; S320-G322 PolarHBondContact O-N 2.85Å
321	L	92.8	Very high	90.2	Very high	83 Å²	83	83.9 Å²	83.9	44%	0.435	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-74.3	-14.3	175.6	-62.4	179.9	0	0	0	112.6	D318 E319 K337 Y338	D318-L321 HydrophobicContact CB-CD1 3.88Å; D318-L321 HydrophobicContact CB-CG 3.9Å; D318-L321 WeakPolarHBondContact O-CB 3.37Å; D318-L321 PolarHBondContact O-N 2.86Å; D318-L321 VanDerWaalsContact O-N 3.1Å; E319-L321 VanDerWaalsContact C-N 3.31Å; L321-K337 HydrophobicContact CD1-CB 3.63Å; L321-K337 HydrophobicContact CD1-CD 4.29Å; L321-Y338 HydrophobicContact CB-CD1 3.87Å; L321-Y338 HydrophobicContact CB-CE1 3.86Å; L321-Y338 WeakPolarHBondContact O-CE1 3.35Å
322	G	92.9	Very high	89.8	Confident	26 Å²	26	86.1 Å²	86.1	27%	0.268	47%	0.466	S	S	.	.			trans	85.6	-161.8	-179.4	0	0	0	0	0	113.9	E319 S320 V339	E319-G322 PolarHBondContact O-N 3.45Å; S320-G322 PolarHBondContact O-N 2.85Å; G322-V339 PolarHBondContact O-N 3.33Å
323	D	93.4	Very high	89.6	Confident	97 Å²	97	86.3 Å²	86.3	52%	0.519	47%	0.47	S	S	.	.	B	Isolated β-bridge	trans	-84.4	146.7	-171.6	-56.4	-43	0	0	0	112.1	S325 Y341	D323-S325 PolarHBondContact O-N 3.09Å; D323-Y341 HydrophobicContact CB-CE2 4.14Å; D323-Y341 VanDerWaalsContact OD1-CE2 3.25Å; D323-Y341 WeakPolarHBondContact OD1-CE2 3.19Å; D323-Y341 VanDerWaalsContact OD1-CZ 3.31Å; D323-Y341 PolarHBondContact OD1-OH 2.71Å
324	C	93.4	Very high	89.4	Confident	4 Å²	4	88.8 Å²	88.8	3%	0.027	48%	0.484	C	S	.	.			trans	-65.7	123.8	176	-173.1	0	0	0	0	110.2	F326 L327 Y338 V339 H340	C324-F326 PolarHBondContact O-N 2.87Å; C324-F326 VanDerWaalsContact O-N 3.15Å; C324-F326 PolarHBondContact SG-N 2.85Å; C324-L327 PolarHBondContact O-N 2.99Å; C324-L327 VanDerWaalsContact O-N 3.13Å; C324-Y338 VanDerWaalsContact CA-CB 3.49Å; C324-V339 PolarHBondContact N-O 3.07Å; C324-H340 WeakPolarHBondContact CB-CE1 3.36Å; C324-H340 PolarHBondContact SG-CE1 2.63Å
325	S	91.5	Very high	89.5	Confident	98 Å²	98	90.7 Å²	90.7	69%	0.685	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.7	176.3	57.9	0	0	0	0	113.5	D323	D323-S325 PolarHBondContact O-N 3.09Å
326	F	89.3	Confident	89.5	Confident	122 Å²	122	84.7 Å²	84.7	54%	0.535	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	4.6	179.5	-60.2	-77.3	0	0	0	113.6	C324 N328 T329 C330	C324-F326 PolarHBondContact O-N 2.87Å; C324-F326 VanDerWaalsContact O-N 3.15Å; C324-F326 PolarHBondContact SG-N 2.85Å; F326-N328 PolarHBondContact O-N 3.46Å; F326-N328 VanDerWaalsContact O-N 3.09Å; F326-T329 PolarHBondContact O-N 2.92Å; F326-T329 PolarHBondContact O-OG1 3.26Å; F326-C330 HydrophobicContact CB-CB 3.9Å; F326-C330 PolarHBondContact O-N 3.34Å
327	L	85.3	Confident	89.6	Confident	122 Å²	122	87.7 Å²	87.7	64%	0.639	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	-115.9	173.8	-64.3	168.8	0	0	0	113	C324 H340	C324-L327 PolarHBondContact O-N 2.99Å; C324-L327 VanDerWaalsContact O-N 3.13Å; L327-H340 PolarHBondContact O-ND1 3.24Å; L327-H340 VanDerWaalsContact O-ND1 3.16Å
328	N	77.3	Confident	89.7	Confident	145 Å²	145	91.8 Å²	91.8	78%	0.775	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	1.6	-179.8	65.5	-46.2	0	0	0	114.1	F326	F326-N328 PolarHBondContact O-N 3.46Å; F326-N328 VanDerWaalsContact O-N 3.09Å
329	T	80.8	Confident	89.7	Confident	86 Å²	86	88.6 Å²	88.6	53%	0.528	47%	0.47	S	S	.	.			trans	-113.1	16.8	-178.1	61.3	0	0	0	0	113.2	F326 F331	F326-T329 PolarHBondContact O-N 2.92Å; F326-T329 PolarHBondContact O-OG1 3.26Å; T329-F331 PolarHBondContact O-N 2.82Å
330	C	86.8	Confident	89.6	Confident	18 Å²	18	83.8 Å²	83.8	12%	0.122	45%	0.448	C	S	.	.			trans	-67.1	124.7	175.8	-175.3	0	0	0	0	111.2	F326 H332 V333 H340	F326-C330 HydrophobicContact CB-CB 3.9Å; F326-C330 PolarHBondContact O-N 3.34Å; C330-H332 VanDerWaalsContact C-N 3.26Å; C330-H332 PolarHBondContact O-N 3.15Å; C330-V333 HydrophobicContact CB-CG2 4.21Å; C330-V333 VanDerWaalsContact O-CG2 3.32Å; C330-V333 WeakPolarHBondContact O-CG2 3.48Å; C330-H340 WeakPolarHBondContact CB-CE1 3.41Å
331	F	84.8	Confident	89.4	Confident	187 Å²	187	82.6 Å²	82.6	82%	0.82	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-10.6	179.3	-63	-78.6	0	0	0	114.2	T329	T329-F331 PolarHBondContact O-N 2.82Å
332	H	84.8	Confident	89.2	Confident	130 Å²	130	80.4 Å²	80.4	60%	0.602	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.4	38.8	-170.5	-63.5	-46.5	0	0	0	111.5	C330 D334 T335 C336	C330-H332 VanDerWaalsContact C-N 3.26Å; C330-H332 PolarHBondContact O-N 3.15Å; H332-D334 PolarHBondContact O-N 3.38Å; H332-T335 CarbonylContact O-C 3.54Å; H332-T335 PolarHBondContact O-N 2.92Å; H332-C336 WeakPolarHBondContact O-CA 3.42Å; H332-C336 WeakPolarHBondContact O-CB 3.42Å; H332-C336 PolarHBondContact O-N 3Å
333	V	85.1	Confident	88.8	Confident	52 Å²	52	81.1 Å²	81.1	32%	0.315	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-37.1	-177.1	-177.3	0	0	0	0	111.8	C330 T335	C330-V333 HydrophobicContact CB-CG2 4.21Å; C330-V333 VanDerWaalsContact O-CG2 3.32Å; C330-V333 WeakPolarHBondContact O-CG2 3.48Å; V333-T335 VanDerWaalsContact C-N 3.28Å; V333-T335 PolarHBondContact O-N 3.26Å
334	D	87.2	Confident	88.5	Confident	132 Å²	132	77.5 Å²	77.5	71%	0.706	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-11.4	-179	-58.6	-34.4	0	0	0	114.9	H316 H332	H316-D334 PolarHBondContact CE1-O 3.06Å; H316-D334 PolarHBondContact ND1-O 3.4Å; H316-D334 PolarHBondContact NE2-O 3.5Å; H332-D334 PolarHBondContact O-N 3.38Å
335	T	91.3	Very high	87.8	Confident	97 Å²	97	78.4 Å²	78.4	60%	0.595	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.7	1.4	177.8	63.8	0	0	0	0	113.3	H332 V333 K337	H332-T335 CarbonylContact O-C 3.54Å; H332-T335 PolarHBondContact O-N 2.92Å; V333-T335 VanDerWaalsContact C-N 3.28Å; V333-T335 PolarHBondContact O-N 3.26Å; T335-K337 PolarHBondContact O-N 3.34Å
336	C	93.3	Very high	86.9	Confident	14 Å²	14	76.6 Å²	76.6	10%	0.095	38%	0.384	C	S	.	.			trans	-76.7	117.9	-176.9	-172.5	0	0	0	0	110.7	H316 H332 Y338 H340	H316-C336 PolarHBondContact CD2-O 3.33Å; H316-C336 PolarHBondContact NE2-N 2.96Å; H316-C336 PolarHBondContact NE2-O 2.91Å; H316-C336 VanDerWaalsContact NE2-O 3.07Å; H332-C336 WeakPolarHBondContact O-CA 3.42Å; H332-C336 WeakPolarHBondContact O-CB 3.42Å; H332-C336 PolarHBondContact O-N 3Å; C336-Y338 PolarHBondContact O-N 3.5Å; C336-H340 WeakPolarHBondContact CB-NE2 3.37Å; C336-H340 PolarHBondContact SG-NE2 3Å
337	K	94.6	Very high	85.7	Confident	130 Å²	130	71 Å²	71	57%	0.565	36%	0.36	S	S	*	.			trans	-73.4	-11.9	179.9	-58.3	-176.3	179.5	-179	0	113.9	T317 D318 L321 T335	T317-K337 WeakPolarHBondContact CA-O 3.27Å; D318-K337 PolarHBondContact N-O 3.03Å; L321-K337 HydrophobicContact CD1-CB 3.63Å; L321-K337 HydrophobicContact CD1-CD 4.29Å; T335-K337 PolarHBondContact O-N 3.34Å
338	Y	95.6	Very high	84.6	Confident	105 Å²	105	65.2 Å²	65.2	41%	0.412	33%	0.33	S	S	.	.	S	Bend	trans	-88.3	159.9	-177	-61.3	-84.4	0	0	0	112.2	L321 C324 C336 H340	L321-Y338 HydrophobicContact CB-CD1 3.87Å; L321-Y338 HydrophobicContact CB-CE1 3.86Å; L321-Y338 WeakPolarHBondContact O-CE1 3.35Å; C324-Y338 VanDerWaalsContact CA-CB 3.49Å; C336-Y338 PolarHBondContact O-N 3.5Å; Y338-H340 PolarHBondContact O-CD2 2.8Å; Y338-H340 PolarHBondContact O-N 2.96Å
339	V	93.5	Very high	83.7	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.018	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-73.2	128.2	-179.9	-178.2	0	0	0	0	110.9	K311 I313 T317 E319 G322 C324 Y341	K311-V339 HydrophobicContact CB-CG1 4.02Å; K311-V339 HydrophobicContact CD-CG1 3.95Å; K311-V339 HydrophobicContact CG-CG1 3.76Å; I313-V339 HydrophobicContact CD1-CG1 3.95Å; I313-V339 HydrophobicContact CD1-CG2 4.1Å; T317-V339 HydrophobicContact CG2-CG2 4.09Å; E319-V339 HydrophobicContact CB-CG2 4.25Å; E319-V339 HydrophobicContact CG-CG2 3.91Å; G322-V339 PolarHBondContact O-N 3.33Å; C324-V339 PolarHBondContact N-O 3.07Å; V339-Y341 HydrophobicContact CB-CE2 4.48Å; V339-Y341 HydrophobicContact CG1-CE1 4.41Å; V339-Y341 HydrophobicContact CG1-CE2 3.93Å
340	H	93.4	Very high	82.4	Confident	8 Å²	8	57.9 Å²	57.9	4%	0.037	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	161.8	171.7	-75.7	-85.2	0	0	0	111.4	K311 I312 C324 L327 C330 C336 Y338	K311-H340 CarbonylContact C-O 3.54Å; K311-H340 WeakPolarHBondContact CA-O 3.41Å; I312-H340 HydrophobicContact CB-CB 4.04Å; I312-H340 HydrophobicContact CD1-CB 4.27Å; I312-H340 PolarHBondContact N-O 2.92Å; C324-H340 WeakPolarHBondContact CB-CE1 3.36Å; C324-H340 PolarHBondContact SG-CE1 2.63Å; L327-H340 PolarHBondContact O-ND1 3.24Å; L327-H340 VanDerWaalsContact O-ND1 3.16Å; C330-H340 WeakPolarHBondContact CB-CE1 3.41Å; C336-H340 WeakPolarHBondContact CB-NE2 3.37Å; C336-H340 PolarHBondContact SG-NE2 3Å; Y338-H340 PolarHBondContact O-CD2 2.8Å; Y338-H340 PolarHBondContact O-N 2.96Å
341	Y	91.3	Very high	80.8	Confident	75 Å²	75	59.2 Å²	59.2	29%	0.294	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	150.4	-177.1	-65.8	-89.1	0	0	0	111.5	T287 F309 R310 K311 D323 V339	T287-Y341 HydrophobicContact CG2-CE1 4.25Å; F309-Y341 HydrophobicContact CB-CD1 3.96Å; R310-Y341 WeakPolarHBondContact O-CA 3.37Å; K311-Y341 HydrophobicContact CG-CD1 4.1Å; K311-Y341 HydrophobicContact CG-CE1 3.53Å; D323-Y341 HydrophobicContact CB-CE2 4.14Å; D323-Y341 VanDerWaalsContact OD1-CE2 3.25Å; D323-Y341 WeakPolarHBondContact OD1-CE2 3.19Å; D323-Y341 VanDerWaalsContact OD1-CZ 3.31Å; D323-Y341 PolarHBondContact OD1-OH 2.71Å; V339-Y341 HydrophobicContact CB-CE2 4.48Å; V339-Y341 HydrophobicContact CG1-CE1 4.41Å; V339-Y341 HydrophobicContact CG1-CE2 3.93Å
342	T	87.4	Confident	79.1	Confident	37 Å²	37	54.4 Å²	54.4	23%	0.227	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	161.3	168.2	-178.3	0	0	0	0	109.6	F309 R310 I312 D344	F309-T342 CarbonylContact C-O 3.58Å; F309-T342 VanDerWaalsContact CA-O 3.29Å; F309-T342 WeakPolarHBondContact CA-O 3.47Å; R310-T342 HydrophobicContact CG-CG2 3.39Å; R310-T342 PolarHBondContact N-O 3.15Å; R310-T342 VanDerWaalsContact NE-CG2 3.28Å; R310-T342 PolarHBondContact O-N 3.3Å; I312-T342 HydrophobicContact CD1-CG2 3.97Å; I312-T342 HydrophobicContact CG1-CG2 3.81Å; T342-D344 PolarHBondContact O-N 3.36Å
343	I	85.7	Confident	77.1	Confident	42 Å²	42	50.1 Å²	50.1	22%	0.215	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	134.5	-178	-61.9	172	0	0	0	109.3	L307 F309 Y345	L307-I343 HydrophobicContact CD2-CG2 3.92Å; F309-I343 HydrophobicContact CD1-CG1 4.41Å; F309-I343 HydrophobicContact CE1-CG1 4.16Å; I343-Y345 HydrophobicContact CB-CE1 4.04Å; I343-Y345 HydrophobicContact CB-CE2 4.19Å; I343-Y345 HydrophobicContact CG2-CD1 3.96Å; I343-Y345 HydrophobicContact CG2-CE1 3.69Å; I343-Y345 HydrophobicContact CG2-CE2 4.48Å; I343-Y345 HydrophobicContact CG2-CG 4.46Å; I343-Y345 WeakPolarHBondContact O-CD2 3.31Å; I343-Y345 WeakPolarHBondContact O-CE2 3.34Å; I343-Y345 PolarHBondContact O-N 3.4Å
344	D	85.2	Confident	75	Confident	21 Å²	21	55.3 Å²	55.3	11%	0.112	28%	0.28	C	S	.	.			trans	-89	94.3	172.5	-174.2	0.8	0	0	0	110	R288 H308 R310 T342 T346	R288-D344 IonicContact NE-OD2 2.68Å; H308-D344 HydrophobicContact CB-CB 4.33Å; H308-D344 WeakPolarHBondContact O-CB 3.16Å; H308-D344 PolarHBondContact O-N 3.49Å; R310-D344 HydrophobicContact CB-CB 4.33Å; T342-D344 PolarHBondContact O-N 3.36Å; D344-T346 PolarHBondContact O-N 2.83Å; D344-T346 VanDerWaalsContact OD1-CB 3.32Å; D344-T346 WeakPolarHBondContact OD1-CB 3.43Å; D344-T346 VanDerWaalsContact OD1-CG2 3.26Å; D344-T346 WeakPolarHBondContact OD1-CG2 3.35Å; D344-T346 PolarHBondContact OD1-N 2.98Å; D344-T346 VanDerWaalsContact OD1-N 3.14Å; D344-T346 PolarHBondContact OD1-OG1 3.06Å; D344-T346 PolarHBondContact OD2-OG1 3.42Å
345	Y	79.9	Confident	72.5	Confident	23 Å²	23	51.8 Å²	51.8	9%	0.09	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-6	-178.7	-57	-75.9	0	0	0	114.5	I343 D347 S348 V349 L420 P422 P594	I343-Y345 HydrophobicContact CB-CE1 4.04Å; I343-Y345 HydrophobicContact CB-CE2 4.19Å; I343-Y345 HydrophobicContact CG2-CD1 3.96Å; I343-Y345 HydrophobicContact CG2-CE1 3.69Å; I343-Y345 HydrophobicContact CG2-CE2 4.48Å; I343-Y345 HydrophobicContact CG2-CG 4.46Å; I343-Y345 WeakPolarHBondContact O-CD2 3.31Å; I343-Y345 WeakPolarHBondContact O-CE2 3.34Å; I343-Y345 PolarHBondContact O-N 3.4Å; Y345-D347 PolarHBondContact O-N 3.12Å; Y345-S348 PolarHBondContact O-N 3.03Å; Y345-V349 PolarHBondContact O-N 3.02Å; Y345-L420 HydrophobicContact CD1-CB 4.45Å; Y345-L420 WeakPolarHBondContact CD1-O 3.11Å; Y345-L420 HydrophobicContact CE1-CB 4.44Å; Y345-P422 HydrophobicContact CD2-CB 3.62Å; Y345-P422 HydrophobicContact CE2-CB 4.15Å; Y345-P422 HydrophobicContact CG-CB 3.85Å; Y345-P422 HydrophobicContact CG-CG 4.45Å; Y345-P594 HydrophobicContact CE1-CB 4.19Å; Y345-P594 WeakPolarHBondContact OH-CB 3.26Å; Y345-P594 WeakPolarHBondContact OH-CG 3.45Å
346	T	73.2	Confident	69.5	Low	60 Å²	60	51.1 Å²	51.1	37%	0.368	29%	0.287	S	S	.	.	H	α-helix	trans	-61.7	-18.6	179.4	59	0	0	0	0	112.1	R288 D344 N350	R288-T346 PolarHBondContact NH1-OG1 3.02Å; R288-T346 VanDerWaalsContact NH2-C 3.28Å; R288-T346 PolarHBondContact NH2-O 3.24Å; R288-T346 PolarHBondContact NH2-OG1 2.78Å; R288-T346 VanDerWaalsContact NH2-OG1 3.16Å; D344-T346 PolarHBondContact O-N 2.83Å; D344-T346 VanDerWaalsContact OD1-CB 3.32Å; D344-T346 WeakPolarHBondContact OD1-CB 3.43Å; D344-T346 VanDerWaalsContact OD1-CG2 3.26Å; D344-T346 WeakPolarHBondContact OD1-CG2 3.35Å; D344-T346 PolarHBondContact OD1-N 2.98Å; D344-T346 VanDerWaalsContact OD1-N 3.14Å; D344-T346 PolarHBondContact OD1-OG1 3.06Å; D344-T346 PolarHBondContact OD2-OG1 3.42Å; T346-N350 WeakPolarHBondContact O-CB 3.28Å; T346-N350 PolarHBondContact O-N 3.06Å; T346-N350 PolarHBondContact O-ND2 3.43Å; T346-N350 VanDerWaalsContact O-ND2 3.12Å
347	D	64.1	Low	66.4	Low	4 Å²	4	54.5 Å²	54.5	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-70.3	-44	171.5	-92.2	-44.6	0	0	0	112.7	R288 R303 H308 Y345 N350 Q351	R288-D347 IonicContact CZ-OD1 3.32Å; R288-D347 IonicContact CZ-OD2 2.96Å; R288-D347 IonicContact NE-OD1 3.99Å; R288-D347 IonicContact NE-OD2 2.73Å; R288-D347 PolarHBondContact NE-OD2 3.4Å; R288-D347 IonicContact NH2-OD1 3.69Å; R288-D347 PolarHBondContact NH2-OD1 3.21Å; R288-D347 IonicContact NH2-OD2 3.66Å; R288-D347 PolarHBondContact NH2-OD2 2.83Å; R303-D347 IonicContact CZ-OD1 3.45Å; R303-D347 IonicContact NE-OD1 3.08Å; R303-D347 PolarHBondContact NE-OD1 3.06Å; R303-D347 PolarHBondContact NH2-O 3.24Å; R303-D347 IonicContact NH2-OD1 3.84Å; R303-D347 PolarHBondContact NH2-OD1 3.35Å; H308-D347 IonicContact CE1-OD2 3.46Å; H308-D347 PolarHBondContact CE1-OD2 2.95Å; H308-D347 IonicContact CG-OD2 3.98Å; H308-D347 IonicContact ND1-OD2 3.06Å; H308-D347 PolarHBondContact ND1-OD2 3.29Å; Y345-D347 PolarHBondContact O-N 3.12Å; D347-N350 PolarHBondContact O-N 3.45Å; D347-Q351 WeakPolarHBondContact O-CG 3.34Å; D347-Q351 PolarHBondContact O-N 3.17Å
348	S	61.4	Low	63.4	Low	1 Å²	1	52.4 Å²	52.4	1%	0.007	31%	0.314	C	S	.	.	H	α-helix	trans	-67.6	-41.4	-175.5	-55.7	0	0	0	0	111.9	Y345 Q351 I419 L420	Y345-S348 PolarHBondContact O-N 3.03Å; S348-Q351 PolarHBondContact O-N 2.86Å; S348-I419 VanDerWaalsContact O-CG2 3.27Å; S348-I419 WeakPolarHBondContact O-CG2 3.5Å; S348-L420 WeakPolarHBondContact CB-O 3.39Å; S348-L420 PolarHBondContact OG-N 2.78Å; S348-L420 PolarHBondContact OG-O 3.29Å
349	V	58.5	Low	60.4	Low	26 Å²	26	53.7 Å²	53.7	16%	0.158	33%	0.328	C	S	.	.	H	α-helix	trans	-64.6	-44.7	176.2	-172.4	0	0	0	0	111.5	Y345 Q351 Q352 V609	Y345-V349 PolarHBondContact O-N 3.02Å; V349-Q351 VanDerWaalsContact C-N 3.3Å; V349-Q351 PolarHBondContact O-N 3.3Å; V349-Q352 PolarHBondContact O-N 3.2Å; V349-V609 HydrophobicContact CB-CG1 4.21Å; V349-V609 HydrophobicContact CG1-CG1 3.88Å; V349-V609 HydrophobicContact CG2-CG1 3.26Å
350	N	53.3	Low	57.8	Low	51 Å²	51	63.9 Å²	63.9	27%	0.273	37%	0.366	S	S	.	.	H	α-helix	trans	-76.6	-15.6	-177.3	-70.1	-23.2	0	0	0	112.7	R303 T346 D347 Q352 L353	R303-N350 VanDerWaalsContact CZ-CB 3.48Å; R303-N350 PolarHBondContact NH1-O 2.92Å; R303-N350 VanDerWaalsContact NH2-CB 3.31Å; T346-N350 WeakPolarHBondContact O-CB 3.28Å; T346-N350 PolarHBondContact O-N 3.06Å; T346-N350 PolarHBondContact O-ND2 3.43Å; T346-N350 VanDerWaalsContact O-ND2 3.12Å; D347-N350 PolarHBondContact O-N 3.45Å; N350-Q352 PolarHBondContact O-N 3.44Å; N350-L353 PolarHBondContact O-N 3.37Å
351	Q	53.5	Low	55.5	Low	45 Å²	45	65.9 Å²	65.9	21%	0.21	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.5	175	-86.4	177.8	30.3	0	0	112.1	D347 S348 V349 S417 I419	D347-Q351 WeakPolarHBondContact O-CG 3.34Å; D347-Q351 PolarHBondContact O-N 3.17Å; S348-Q351 PolarHBondContact O-N 2.86Å; V349-Q351 VanDerWaalsContact C-N 3.3Å; V349-Q351 PolarHBondContact O-N 3.3Å; Q351-S417 PolarHBondContact OE1-OG 3.31Å; Q351-I419 HydrophobicContact CB-CD1 4.3Å
352	Q	49.2	Very low	53.6	Low	87 Å²	87	65.7 Å²	65.7	41%	0.407	38%	0.384	S	S	.	.	S	Bend	trans	-91.5	-16.3	175.3	-64	-162.4	-24.3	0	0	114.1	V349 N350 D354 I419 Y421 P611	V349-Q352 PolarHBondContact O-N 3.2Å; N350-Q352 PolarHBondContact O-N 3.44Å; Q352-D354 VanDerWaalsContact C-N 3.34Å; Q352-D354 PolarHBondContact O-N 2.78Å; Q352-I419 HydrophobicContact CG-CD1 3.53Å; Q352-Y421 PolarHBondContact NE2-OH 3.03Å; Q352-Y421 PolarHBondContact OE1-OH 2.6Å; Q352-Y421 VanDerWaalsContact OE1-OH 3.11Å; Q352-P611 HydrophobicContact CB-CG 4.41Å; Q352-P611 VanDerWaalsContact OE1-CG 3.23Å
353	L	43.5	Very low	52	Low	39 Å²	39	65.4 Å²	65.4	20%	0.204	38%	0.38	C	S	.	.			trans	-89.1	18	-171.4	-68.1	176.5	0	0	0	114.9	N350 G355 G356	N350-L353 PolarHBondContact O-N 3.37Å; L353-G355 CarbonylContact O-C 3.46Å; L353-G355 PolarHBondContact O-N 2.73Å; L353-G356 PolarHBondContact O-N 3.49Å
354	D	40.4	Very low	50.4	Low	161 Å²	161	68.1 Å²	68.1	86%	0.861	40%	0.396	S	S	*	.			trans	-63.7	5.7	172.2	-93.9	-6.7	0	0	0	113.7	Q352	Q352-D354 VanDerWaalsContact C-N 3.34Å; Q352-D354 PolarHBondContact O-N 2.78Å
355	G	34.3	Very low	48.5	Very low	59 Å²	59	72.1 Å²	72.1	61%	0.608	42%	0.417	S	S	*	.	S	Bend	trans	-107.4	69.1	158.2	0	0	0	0	0	112.9	L353 V357	L353-G355 CarbonylContact O-C 3.46Å; L353-G355 PolarHBondContact O-N 2.73Å; G355-V357 VanDerWaalsContact C-N 3.28Å; G355-V357 PolarHBondContact O-N 3.34Å
356	G	27.5	Very low	46.6	Very low	82 Å²	82	74.6 Å²	74.6	85%	0.845	43%	0.432	S	S	*	.	S	Bend	trans	53.7	7.9	148.4	0	0	0	0	0	121.9	L353	L353-G356 PolarHBondContact O-N 3.49Å
357	V	30.1	Very low	44.6	Very low	86 Å²	86	81.5 Å²	81.5	52%	0.521	46%	0.457	S	S	.	.			trans	-106.7	98.1	-177.9	-174.8	0	0	0	0	110.6	G355 N359	G355-V357 VanDerWaalsContact C-N 3.28Å; G355-V357 PolarHBondContact O-N 3.34Å; V357-N359 PolarHBondContact O-N 2.79Å
358	A	30.7	Very low	42.9	Very low	86 Å²	86	87.8 Å²	87.8	71%	0.711	49%	0.49	S	S	*	.			trans	-57.3	117.8	177	0	0	0	0	0	112.5	R360	A358-R360 PolarHBondContact O-N 2.94Å
359	N	32.1	Very low	41.2	Very low	131 Å²	131	99.1 Å²	99.1	70%	0.701	53%	0.533	S	S	*	.	S	Bend	trans	40.3	20.5	146.6	-117	3.8	0	0	0	121.1	V357	V357-N359 PolarHBondContact O-N 2.79Å
360	R	38.6	Very low	39.6	Very low	218 Å²	218	105.3 Å²	105.3	82%	0.823	56%	0.56	S	S	*	*			trans	-97.7	5.5	-179	-103.2	-178.5	170.5	158.1	-2	115.3	A358	A358-R360 PolarHBondContact O-N 2.94Å
361	N	45.2	Very low	38.2	Very low	50 Å²	50	108.6 Å²	108.6	27%	0.267	58%	0.582	S	S	.	*			trans	-92.8	-2.2	-170.8	-73	-13.8	0	0	0	115.4	L363 V614	N361-L363 PolarHBondContact O-N 3.45Å; N361-L363 VanDerWaalsContact O-N 3.15Å; N361-V614 HydrophobicContact CB-CG1 4.25Å; N361-V614 WeakPolarHBondContact O-CG1 3.07Å; N361-V614 WeakPolarHBondContact O-CG2 3.48Å
362	V	52.5	Low	36.8	Very low	71 Å²	71	112.9 Å²	112.9	43%	0.43	61%	0.606	S	S	.	*			trans	-75.8	106.8	172	-175.9	0	0	0	0	108.8	N364 Y607	V362-N364 HydrophobicContact CG1-CB 4.5Å; V362-N364 PolarHBondContact O-N 3.47Å; V362-Y607 HydrophobicContact CG1-CD2 3.92Å; V362-Y607 HydrophobicContact CG1-CE2 3.46Å; V362-Y607 VanDerWaalsContact CG1-CE2 3.46Å
363	L	54.2	Low	35.6	Very low	30 Å²	30	116.5 Å²	116.5	16%	0.157	63%	0.629	C	S	.	*			trans	-72	118	163.5	-75.9	158.8	0	0	0	107	N361 L608 V614 F617 K618	N361-L363 PolarHBondContact O-N 3.45Å; N361-L363 VanDerWaalsContact O-N 3.15Å; L363-L608 HydrophobicContact CD1-CD1 4.48Å; L363-V614 HydrophobicContact CD1-CG1 4.24Å; L363-F617 HydrophobicContact CD1-CD1 3.69Å; L363-F617 HydrophobicContact CD1-CE1 4.17Å; L363-F617 HydrophobicContact CD1-CG 4.45Å; L363-K618 HydrophobicContact CD1-CG 4.21Å; L363-K618 HydrophobicContact CD2-CG 4.39Å
364	N	50.9	Low	34.7	Very low	100 Å²	100	119.4 Å²	119.4	54%	0.535	65%	0.653	S	S	.	*			trans	-137.1	103.7	167.5	-167	-2.6	0	0	0	107.7	V362 N366	V362-N364 HydrophobicContact CG1-CB 4.5Å; V362-N364 PolarHBondContact O-N 3.47Å; N364-N366 VanDerWaalsContact C-N 3.27Å; N364-N366 PolarHBondContact O-N 3.4Å
365	N	45.3	Very low	33.8	Very low	104 Å²	104	117.6 Å²	117.6	56%	0.556	65%	0.652	S	S	*	*			trans	-90.9	47.4	-178.1	-88.1	-7	0	0	0	111.8	K367	N365-K367 PolarHBondContact O-N 2.87Å
366	N	39.9	Very low	33.5	Very low	76 Å²	76	121 Å²	121	41%	0.406	66%	0.661	S	S	.	*			trans	-92.3	90.8	169.7	-76.2	2.5	0	0	0	109.4	N364 N368 D604	N364-N366 VanDerWaalsContact C-N 3.27Å; N364-N366 PolarHBondContact O-N 3.4Å; N366-N368 PolarHBondContact O-N 3.44Å; N366-D604 PolarHBondContact ND2-OD2 3.15Å
367	K	31.7	Very low	33.2	Very low	204 Å²	204	122.8 Å²	122.8	89%	0.887	66%	0.656	S	S	*	*			trans	-68.3	84.2	163	-74.7	-177.2	-179.4	174.2	0	108.1	N365 R369	N365-K367 PolarHBondContact O-N 2.87Å; K367-R369 PolarHBondContact O-N 3.07Å
368	N	28.3	Very low	33.1	Very low	136 Å²	136	126.6 Å²	126.6	73%	0.727	67%	0.674	S	S	*	*			trans	-56.3	109.1	165.7	-89.9	-11.6	0	0	0	108.4	N366 Q370	N366-N368 PolarHBondContact O-N 3.44Å; N368-Q370 PolarHBondContact O-N 2.78Å
369	R	25.4	Very low	32.7	Very low	240 Å²	240	129.6 Å²	129.6	91%	0.906	68%	0.676	S	S	*	*			trans	-71.1	81.2	162.6	-71.8	-177.1	176.7	-168.8	-0.1	107.4	K367 T371	K367-R369 PolarHBondContact O-N 3.07Å; R369-T371 PolarHBondContact O-N 3.28Å
370	Q	25.3	Very low	32.3	Very low	155 Å²	155	129 Å²	129	72%	0.724	68%	0.677	S	S	*	*			trans	-77.7	112.5	157	-91	174.6	-7.5	0	0	107.5	N368 D372	N368-Q370 PolarHBondContact O-N 2.78Å; Q370-D372 VanDerWaalsContact C-N 3.31Å; Q370-D372 PolarHBondContact O-N 3.34Å
371	T	23.9	Very low	31.6	Very low	121 Å²	121	124 Å²	124	74%	0.742	68%	0.675	S	S	*	*			trans	-69.4	83.3	172.6	49	0	0	0	0	109.2	R369 N373	R369-T371 PolarHBondContact O-N 3.28Å; T371-N373 PolarHBondContact O-N 2.92Å
372	D	24.4	Very low	30.5	Very low	134 Å²	134	127.1 Å²	127.1	72%	0.717	70%	0.701	S	S	*	*			trans	-89.8	91.8	169	-72.6	-19.2	0	0	0	108.8	Q370 S374	Q370-D372 VanDerWaalsContact C-N 3.31Å; Q370-D372 PolarHBondContact O-N 3.34Å; D372-S374 PolarHBondContact O-N 3.18Å; D372-S374 VanDerWaalsContact O-N 3.07Å
373	N	23.4	Very low	29.3	Very low	163 Å²	163	129.3 Å²	129.3	87%	0.872	72%	0.72	S	S	*	*			trans	-64.9	97	162.9	-77.6	-23.1	0	0	0	108.4	T371	T371-N373 PolarHBondContact O-N 2.92Å
374	S	25.7	Very low	27.8	Very low	101 Å²	101	133.6 Å²	133.6	71%	0.706	75%	0.752	S	S	*	*			trans	-149.9	109.5	156.5	42.4	0	0	0	0	110.2	D372 T376	D372-S374 PolarHBondContact O-N 3.18Å; D372-S374 VanDerWaalsContact O-N 3.07Å; S374-T376 PolarHBondContact O-N 3.32Å
375	S	21.4	Very low	26.8	Very low	122 Å²	122	134.6 Å²	134.6	85%	0.853	77%	0.767	S	S	*	*			trans	-63.8	116.8	175.8	-45.2	0	0	0	0	110.1
376	T	26.4	Very low	25.9	Very low	130 Å²	130	135 Å²	135	80%	0.798	78%	0.778	S	S	*	*			trans	-153.9	115.3	146	-29.2	0	0	0	0	110.1	S374	S374-T376 PolarHBondContact O-N 3.32Å
377	T	22.6	Very low	25.2	Very low	121 Å²	121	137.7 Å²	137.7	74%	0.742	80%	0.797	S	S	*	*			trans	-56.2	130.9	168.5	45.8	0	0	0	0	110.9
378	N	26.7	Very low	24.9	Very low	166 Å²	166	133.5 Å²	133.5	89%	0.888	79%	0.793	S	S	*	*			trans	-152.4	138.2	146.5	-95.8	-28.2	0	0	0	111.7
379	I	23.2	Very low	24.6	Very low	149 Å²	149	132.6 Å²	132.6	76%	0.764	80%	0.798	S	S	*	*			trans	-98.6	130.9	-159.2	-81.2	169.7	0	0	0	109.1
380	V	22.4	Very low	24.8	Very low	118 Å²	118	126.3 Å²	126.3	72%	0.715	79%	0.791	S	S	*	*			trans	54.4	121.1	138.9	-163.2	0	0	0	0	118.1
381	S	24.6	Very low	24.9	Very low	112 Å²	112	128.2 Å²	128.2	78%	0.783	80%	0.799	S	S	*	*				176	122.8	109.5	-72.2	0	0	0	0	111.9
382	S	21.8	Very low	25	Very low	116 Å²	116	129.7 Å²	129.7	81%	0.811	80%	0.801	S	S	*	*			trans	-62.4	137	170.9	45.8	0	0	0	0	113.5
383	S	27.3	Very low	25	Very low	118 Å²	118	131 Å²	131	83%	0.825	81%	0.808	S	S	*	*			trans	-129.1	97	156.2	58.1	0	0	0	0	109.2
384	S	23.1	Very low	25.1	Very low	120 Å²	120	129.1 Å²	129.1	84%	0.839	80%	0.803	S	S	*	*			trans	-69.1	126.9	166	48	0	0	0	0	110.2
385	S	28.9	Very low	24.9	Very low	121 Å²	121	129.1 Å²	129.1	85%	0.846	80%	0.803	S	S	*	*			trans	-129.2	113.8	162.3	53.4	0	0	0	0	108.8
386	S	27.6	Very low	25.2	Very low	113 Å²	113	128 Å²	128	79%	0.79	80%	0.795	S	S	*	*			trans	-74.8	138.9	-168.1	43.9	0	0	0	0	114.2
387	V	24.4	Very low	25.2	Very low	132 Å²	132	129.8 Å²	129.8	80%	0.8	80%	0.798	S	S	*	*			trans	-32.4	127.8	162.9	-174.5	0	0	0	0	114
388	S	25.9	Very low	25.4	Very low	116 Å²	116	130.7 Å²	130.7	81%	0.811	80%	0.798	S	S	*	*			trans	-113.1	117.6	162.4	-65.6	0	0	0	0	109.2
389	S	23.3	Very low	25.4	Very low	117 Å²	117	128.1 Å²	128.1	82%	0.818	79%	0.793	S	S	*	*			trans	-70.5	120.4	-178.8	-52.7	0	0	0	0	111.5
390	S	29.1	Very low	25.6	Very low	108 Å²	108	128 Å²	128	76%	0.755	79%	0.793	S	S	*	*			trans	-114.8	114.7	163.9	57.4	0	0	0	0	109.4	I392	S390-I392 PolarHBondContact O-N 3.48Å
391	Q	27.5	Very low	25.7	Very low	194 Å²	194	129.9 Å²	129.9	91%	0.907	80%	0.799	S	S	*	*			trans	-57	124.3	-179.7	-67.4	167.4	-24.3	0	0	111.1	N393	Q391-N393 PolarHBondContact O-N 3.46Å
392	I	26.2	Very low	25.9	Very low	153 Å²	153	131.2 Å²	131.2	79%	0.785	80%	0.797	S	S	*	*			trans	-83.8	107.8	174	-65.6	170	0	0	0	107	S390 T394	S390-I392 PolarHBondContact O-N 3.48Å; I392-T394 HydrophobicContact CG2-CG2 4.31Å; I392-T394 PolarHBondContact O-N 2.85Å
393	N	23.8	Very low	26	Very low	160 Å²	160	129.1 Å²	129.1	86%	0.856	79%	0.794	S	S	*	*			trans	-76	112.1	171.3	-115.8	-11.2	0	0	0	108.9	Q391	Q391-N393 PolarHBondContact O-N 3.46Å
394	T	24.6	Very low	26.2	Very low	124 Å²	124	130 Å²	130	76%	0.761	79%	0.794	S	S	*	*			trans	-92.1	104	176.2	51.4	0	0	0	0	109.7	I392	I392-T394 HydrophobicContact CG2-CG2 4.31Å; I392-T394 PolarHBondContact O-N 2.85Å
395	S	22.1	Very low	26.1	Very low	101 Å²	101	136.1 Å²	136.1	71%	0.706	80%	0.799	S	S	*	*			trans	-161.2	136.6	161.2	52.9	0	0	0	0	110.3
396	S	27	Very low	25.9	Very low	98 Å²	98	134 Å²	134	69%	0.685	80%	0.796	S	S	*	*			trans	92.7	70	167.9	-43.4	0	0	0	0	116.5	N398	S396-N398 PolarHBondContact O-N 2.86Å
397	I	27.4	Very low	25.7	Very low	169 Å²	169	132.2 Å²	132.2	87%	0.867	80%	0.795	S	S	*	*			trans	-75.3	97.6	151.5	-66.4	170.6	0	0	0	106.1
398	N	27.2	Very low	25.6	Very low	139 Å²	139	130.6 Å²	130.6	74%	0.743	81%	0.805	S	S	*	*			trans	-87.4	113.8	170.9	-76.8	-15.1	0	0	0	108.7	S396 I400	S396-N398 PolarHBondContact O-N 2.86Å; N398-I400 PolarHBondContact O-N 3.09Å
399	S	26.2	Very low	25.5	Very low	112 Å²	112	128 Å²	128	78%	0.783	80%	0.797	S	S	*	*			trans	-59.5	124.3	169.4	-54	0	0	0	0	110.2
400	I	28	Very low	25.6	Very low	148 Å²	148	127.2 Å²	127.2	76%	0.759	80%	0.798	S	S	*	*			trans	-84.7	110.3	174.6	-63.2	170.4	0	0	0	106.9	N398	N398-I400 PolarHBondContact O-N 3.09Å
401	D	24.2	Very low	25.7	Very low	157 Å²	157	128.9 Å²	128.9	84%	0.84	80%	0.803	S	S	*	*			trans	-99.9	104.1	174.1	-168.4	16.5	0	0	0	108.2	G403	D401-G403 PolarHBondContact O-N 3Å
402	D	29.3	Very low	25.6	Very low	139 Å²	139	128.2 Å²	128.2	74%	0.743	80%	0.797	S	S	*	*			trans	-86.7	83	-179.5	-88	-32	0	0	0	110.5	V404	D402-V404 PolarHBondContact O-N 3.39Å
403	G	22.4	Very low	26	Very low	73 Å²	73	128.1 Å²	128.1	75%	0.753	80%	0.798	S	S	*	*			trans	-80.3	96.3	166.5	0	0	0	0	0	111.6	D401	D401-G403 PolarHBondContact O-N 3Å
404	V	31.5	Very low	26.5	Very low	137 Å²	137	127 Å²	127	83%	0.83	79%	0.792	S	S	*	*			trans	-99.5	104.5	172	177.8	0	0	0	0	110.6	D402	D402-V404 PolarHBondContact O-N 3.39Å
405	R	22.7	Very low	27.2	Very low	248 Å²	248	123.8 Å²	123.8	94%	0.936	78%	0.784	S	S	*	*			trans	-101.7	120.5	169.8	-173.1	-176.5	-174.3	-151.6	3.4	109.3
406	G	23.7	Very low	28.5	Very low	76 Å²	76	125 Å²	125	78%	0.784	79%	0.787	S	S	*	*			trans	97	138.6	149.4	0	0	0	0	0	118.3
407	G	23.8	Very low	29.7	Very low	76 Å²	76	123.8 Å²	123.8	78%	0.784	78%	0.778	S	S	*	*			trans	119.1	95.8	155.3	0	0	0	0	0	114.9	G409	G407-G409 PolarHBondContact O-N 3.31Å; G407-G409 VanDerWaalsContact O-N 3.08Å
408	G	22.5	Very low	31.5	Very low	98 Å²	98	118.2 Å²	118.2	100%	1.01	75%	0.75	S	S	*	*			trans	-58.3	109.7	170.7	0	0	0	0	0	111.6
409	G	22.7	Very low	33.6	Very low	61 Å²	61	113.3 Å²	113.3	63%	0.629	72%	0.723	S	S	*	*			trans	-132.2	130.4	168.1	0	0	0	0	0	107.6	G407 V411	G407-G409 PolarHBondContact O-N 3.31Å; G407-G409 VanDerWaalsContact O-N 3.08Å; G409-V411 PolarHBondContact O-N 3.02Å; G409-V411 VanDerWaalsContact O-N 3.17Å
410	A	26.7	Very low	36.2	Very low	101 Å²	101	109.3 Å²	109.3	84%	0.835	69%	0.693	S	S	*	*			trans	-42.2	122.2	179.9	0	0	0	0	0	110.8	K412	A410-K412 VanDerWaalsContact C-N 3.32Å; A410-K412 PolarHBondContact O-N 2.87Å
411	V	29.6	Very low	39	Very low	143 Å²	143	102.8 Å²	102.8	87%	0.867	66%	0.659	S	S	*	*			trans	-53.7	98.6	176.2	179.4	0	0	0	0	107.1	G409 D413	G409-V411 PolarHBondContact O-N 3.02Å; G409-V411 VanDerWaalsContact O-N 3.17Å; V411-D413 PolarHBondContact O-N 3.46Å
412	K	26.4	Very low	42.2	Very low	179 Å²	179	96 Å²	96	78%	0.778	62%	0.623	S	S	*	*			trans	-61.5	119.6	163.6	-75.9	-177.6	177.6	177.7	0	104.4	A410 N414	A410-K412 VanDerWaalsContact C-N 3.32Å; A410-K412 PolarHBondContact O-N 2.87Å; K412-N414 PolarHBondContact O-N 3.06Å
413	D	34.2	Very low	45.4	Very low	151 Å²	151	90.8 Å²	90.8	81%	0.807	60%	0.597	S	S	*	*			trans	-59.5	77.5	169.1	-171.1	20.6	0	0	0	107.7	V411 G415	V411-D413 PolarHBondContact O-N 3.46Å; D413-G415 PolarHBondContact O-N 2.88Å
414	N	34.6	Very low	48.9	Very low	138 Å²	138	87.4 Å²	87.4	74%	0.738	56%	0.562	S	S	*	*			trans	-73	68.7	163.9	-83.6	2.8	0	0	0	105	K412 T416	K412-N414 PolarHBondContact O-N 3.06Å; N414-T416 PolarHBondContact O-N 3.07Å
415	G	40	Very low	52.1	Low	56 Å²	56	83.3 Å²	83.3	58%	0.577	53%	0.531	S	S	*	.			trans	-57.5	97.6	164.7	0	0	0	0	0	105.8	D413 S417	D413-G415 PolarHBondContact O-N 2.88Å; G415-S417 PolarHBondContact O-N 3.33Å
416	T	48.3	Very low	55.6	Low	127 Å²	127	71.5 Å²	71.5	78%	0.779	49%	0.487	S	S	*	.			trans	-49.4	114.3	174.3	-46.3	0	0	0	0	105.6	N414 L418	N414-T416 PolarHBondContact O-N 3.07Å; T416-L418 PolarHBondContact O-N 2.79Å
417	S	52.6	Low	59.1	Low	71 Å²	71	69 Å²	69	50%	0.497	46%	0.456	S	S	.	.			trans	-51.5	113.6	-177.3	-163.4	0	0	0	0	106.7	Q351 G415 I419	Q351-S417 PolarHBondContact OE1-OG 3.31Å; G415-S417 PolarHBondContact O-N 3.33Å; S417-I419 WeakPolarHBondContact O-CG1 3.49Å; S417-I419 PolarHBondContact O-N 2.72Å
418	L	64.1	Low	62.4	Low	53 Å²	53	65.7 Å²	65.7	28%	0.277	42%	0.42	S	S	.	.			trans	-65.3	123.9	177.2	-68.6	166.7	0	0	0	105.3	Q278 Q280 T416	Q278-L418 VanDerWaalsContact C-CD1 3.42Å; Q278-L418 HydrophobicContact CB-CD1 3.71Å; Q278-L418 HydrophobicContact CG-CD1 4.41Å; Q278-L418 WeakPolarHBondContact O-CD1 3.4Å; Q280-L418 HydrophobicContact CG-CB 4.04Å; Q280-L418 PolarHBondContact NE2-O 3.13Å; T416-L418 PolarHBondContact O-N 2.79Å
419	I	72.8	Confident	65.8	Low	35 Å²	35	63 Å²	63	18%	0.179	38%	0.382	C	S	.	.			trans	-113	117.1	178.7	-61.8	-178.3	0	0	0	106.1	S348 Q351 Q352 S417 Y421	S348-I419 VanDerWaalsContact O-CG2 3.27Å; S348-I419 WeakPolarHBondContact O-CG2 3.5Å; Q351-I419 HydrophobicContact CB-CD1 4.3Å; Q352-I419 HydrophobicContact CG-CD1 3.53Å; S417-I419 WeakPolarHBondContact O-CG1 3.49Å; S417-I419 PolarHBondContact O-N 2.72Å; I419-Y421 HydrophobicContact CB-CE2 4.28Å; I419-Y421 HydrophobicContact CG2-CD2 4.26Å; I419-Y421 HydrophobicContact CG2-CE1 4.05Å; I419-Y421 HydrophobicContact CG2-CE2 3.66Å
420	L	80.2	Confident	69.3	Low	29 Å²	29	60.3 Å²	60.3	15%	0.152	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-95.7	118	176	-75.9	172.8	0	0	0	109.2	L307 Y345 S348 N595	L307-L420 HydrophobicContact CD1-CD1 4.16Å; L307-L420 HydrophobicContact CD2-CD1 4.4Å; Y345-L420 HydrophobicContact CD1-CB 4.45Å; Y345-L420 WeakPolarHBondContact CD1-O 3.11Å; Y345-L420 HydrophobicContact CE1-CB 4.44Å; S348-L420 WeakPolarHBondContact CB-O 3.39Å; S348-L420 PolarHBondContact OG-N 2.78Å; S348-L420 PolarHBondContact OG-O 3.29Å; L420-N595 HydrophobicContact CD2-CB 3.85Å
421	Y	87.8	Confident	72.4	Confident	10 Å²	10	61 Å²	61	4%	0.039	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-85.6	153.5	175.1	-69.2	-79.1	0	0	0	111.4	Q352 I419 Q424 N595 V609 D610	Q352-Y421 PolarHBondContact NE2-OH 3.03Å; Q352-Y421 PolarHBondContact OE1-OH 2.6Å; Q352-Y421 VanDerWaalsContact OE1-OH 3.11Å; I419-Y421 HydrophobicContact CB-CE2 4.28Å; I419-Y421 HydrophobicContact CG2-CD2 4.26Å; I419-Y421 HydrophobicContact CG2-CE1 4.05Å; I419-Y421 HydrophobicContact CG2-CE2 3.66Å; Y421-Q424 VanDerWaalsContact CB-NE2 3.33Å; Y421-N595 PolarHBondContact N-OD1 3.4Å; Y421-N595 PolarHBondContact O-N 3.23Å; Y421-V609 HydrophobicContact CD1-CB 4.43Å; Y421-V609 HydrophobicContact CD1-CG1 4.28Å; Y421-D610 HydrophobicContact CD1-CB 4.47Å; Y421-D610 HydrophobicContact CE1-CB 4.17Å; Y421-D610 HydrophobicContact CE2-CB 4.36Å
422	P	91.3	Very high	75.5	Confident	14 Å²	14	60.1 Å²	60.1	9%	0.091	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-60.2	169	163.1	31.1	-34.9	0	0	0	109.6	Y345 Q424 Y607 V609	Y345-P422 HydrophobicContact CD2-CB 3.62Å; Y345-P422 HydrophobicContact CE2-CB 4.15Å; Y345-P422 HydrophobicContact CG-CB 3.85Å; Y345-P422 HydrophobicContact CG-CG 4.45Å; P422-Q424 PolarHBondContact O-N 2.91Å; P422-Y607 HydrophobicContact CG-CE1 4.41Å; P422-V609 HydrophobicContact CG-CB 4.23Å; P422-V609 HydrophobicContact CG-CG1 4.27Å; P422-V609 HydrophobicContact CG-CG2 3.84Å
423	P	94.7	Very high	78.7	Confident	30 Å²	30	52.1 Å²	52.1	20%	0.195	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-52	134.8	168.8	-20.4	29.4	0	0	0	110.7	W425 L592 Q593 P594 Y607	P423-W425 HydrophobicContact CB-CE3 4.47Å; P423-W425 HydrophobicContact CB-CZ3 4.3Å; P423-W425 WeakPolarHBondContact O-CZ3 3.11Å; P423-L592 HydrophobicContact CB-CB 4.04Å; P423-Q593 WeakPolarHBondContact CA-O 3.5Å; P423-P594 HydrophobicContact CG-CG 4.39Å; P423-Y607 WeakPolarHBondContact O-CD1 3.34Å; P423-Y607 VanDerWaalsContact O-CE1 3.29Å; P423-Y607 WeakPolarHBondContact O-CE1 3.33Å
424	Q	96.7	Very high	81.6	Confident	3 Å²	3	47.3 Å²	47.3	1%	0.014	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	148	179.5	-71.4	174.6	96.8	0	0	109	Y421 P422 W596 I597 T598 Y607 L608 V609	Y421-Q424 VanDerWaalsContact CB-NE2 3.33Å; P422-Q424 PolarHBondContact O-N 2.91Å; Q424-W596 PolarHBondContact N-O 3.22Å; Q424-W596 VanDerWaalsContact N-O 3.09Å; Q424-I597 HydrophobicContact CB-CG1 4Å; Q424-I597 CarbonylContact O-C 3.58Å; Q424-I597 VanDerWaalsContact O-CA 3.31Å; Q424-I597 WeakPolarHBondContact O-CA 3.49Å; Q424-T598 PolarHBondContact O-N 3.13Å; Q424-Y607 CarbonylContact C-O 3.54Å; Q424-Y607 WeakPolarHBondContact CA-O 3.4Å; Q424-L608 HydrophobicContact CB-CD2 4.37Å; Q424-V609 HydrophobicContact CG-CB 4.3Å; Q424-V609 HydrophobicContact CG-CG2 4.3Å
425	W	97.8	Very high	84.5	Confident	51 Å²	51	41 Å²	41	19%	0.193	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	159.4	-176.7	65.2	85.3	0	0	0	114.1	P423 L592 T598 L603 D604 Y607	P423-W425 HydrophobicContact CB-CE3 4.47Å; P423-W425 HydrophobicContact CB-CZ3 4.3Å; P423-W425 WeakPolarHBondContact O-CZ3 3.11Å; W425-L592 HydrophobicContact CB-CD2 3.74Å; W425-L592 HydrophobicContact CD2-CD1 4Å; W425-L592 HydrophobicContact CD2-CD2 4.05Å; W425-L592 HydrophobicContact CE3-CD1 3.67Å; W425-L592 HydrophobicContact CE3-CD2 3.79Å; W425-L592 HydrophobicContact CE3-CG 4.33Å; W425-L592 HydrophobicContact CG-CD2 4.08Å; W425-L592 HydrophobicContact CH2-CD1 4.4Å; W425-L592 HydrophobicContact CZ3-CD1 3.9Å; W425-T598 CarbonylContact C-O 3.32Å; W425-T598 WeakPolarHBondContact CA-O 3.35Å; W425-T598 WeakPolarHBondContact CB-O 3.34Å; W425-L603 HydrophobicContact CB-CD1 3.89Å; W425-L603 HydrophobicContact CB-CD2 4.19Å; W425-L603 HydrophobicContact CG-CD1 4.49Å; W425-L603 HydrophobicContact CG-CD2 4.33Å; W425-D604 PolarHBondContact NE1-O 3.37Å; W425-Y607 HydrophobicContact CD2-CD1 4.41Å; W425-Y607 VanDerWaalsContact CE2-CB 3.45Å; W425-Y607 AromaticContact CE3-CD1 3.89Å; W425-Y607 HydrophobicContact CE3-CD1 3.89Å; W425-Y607 HydrophobicContact CE3-CG 4.44Å; W425-Y607 AromaticContact CH2-CD1 3.59Å; W425-Y607 HydrophobicContact CH2-CD1 3.59Å; W425-Y607 HydrophobicContact CH2-CE1 4.28Å; W425-Y607 AromaticContact CH2-CG 3.79Å; W425-Y607 HydrophobicContact CH2-CG 3.79Å; W425-Y607 HydrophobicContact CZ2-CD1 4.15Å; W425-Y607 AromaticContact CZ2-CG 3.91Å; W425-Y607 HydrophobicContact CZ2-CG 3.91Å; W425-Y607 AromaticContact CZ3-CD1 3.44Å; W425-Y607 HydrophobicContact CZ3-CD1 3.44Å; W425-Y607 VanDerWaalsContact CZ3-CD1 3.44Å; W425-Y607 HydrophobicContact CZ3-CE1 4.11Å; W425-Y607 HydrophobicContact CZ3-CG 4.07Å; W425-Y607 PolarHBondContact N-O 3.38Å; W425-Y607 CarbonylContact O-C 3.54Å; W425-Y607 PolarHBondContact O-N 2.89Å
426	I	97.4	Very high	87.2	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	118.5	176	-47.5	-174.9	0	0	0	108.6	C428 I433 L438 T598 L599 G600 L603 T606 L608 F617 L625	I426-C428 HydrophobicContact CG2-CB 4.21Å; I426-C428 PolarHBondContact O-N 2.95Å; I426-I433 HydrophobicContact CD1-CD1 4.21Å; I426-I433 HydrophobicContact CG2-CD1 4.09Å; I426-L438 HydrophobicContact CD1-CD2 3.75Å; I426-T598 PolarHBondContact N-O 2.95Å; I426-L599 HydrophobicContact CB-CD2 3.66Å; I426-L599 HydrophobicContact CD1-CD2 3.83Å; I426-L599 HydrophobicContact CG1-CD2 3.77Å; I426-G600 PolarHBondContact O-N 3.34Å; I426-L603 WeakPolarHBondContact O-CD1 3.36Å; I426-T606 HydrophobicContact CB-CG2 4.4Å; I426-T606 HydrophobicContact CG1-CG2 4.11Å; I426-T606 HydrophobicContact CG2-CG2 4.12Å; I426-L608 HydrophobicContact CD1-CD1 4.06Å; I426-L608 HydrophobicContact CD1-CD2 4.2Å; I426-L608 HydrophobicContact CG1-CD1 4.34Å; I426-L608 HydrophobicContact CG1-CD2 4.03Å; I426-L608 HydrophobicContact CG1-CG 4.34Å; I426-F617 HydrophobicContact CD1-CD2 4.05Å; I426-F617 HydrophobicContact CD1-CE2 4.06Å; I426-F617 HydrophobicContact CG2-CE2 4.09Å; I426-L625 HydrophobicContact CG2-CD1 3.37Å
427	N	96	Very high	89.4	Confident	24 Å²	24	35.5 Å²	35.5	13%	0.128	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	112.3	163.4	-173.5	-32	0	0	0	109.3	G600 N601 L603 G605 L625 I627	N427-G600 VanDerWaalsContact CA-O 3.25Å; N427-G600 WeakPolarHBondContact CA-O 3.42Å; N427-N601 PolarHBondContact ND2-O 2.82Å; N427-L603 HydrophobicContact CB-CB 4.2Å; N427-L603 WeakPolarHBondContact CB-O 3.47Å; N427-L603 PolarHBondContact ND2-O 3.09Å; N427-G605 WeakPolarHBondContact CB-O 3.44Å; N427-G605 PolarHBondContact N-O 3.17Å; N427-L625 WeakPolarHBondContact O-CD1 3.26Å; N427-I627 HydrophobicContact CB-CD1 4.06Å
428	C	95.1	Very high	91.5	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.034	16%	0.164	C	C	.	.			trans	-155.7	155.8	178.6	61.9	0	0	0	0	112.2	I426 I433 G600 N601 L625	I426-C428 HydrophobicContact CG2-CB 4.21Å; I426-C428 PolarHBondContact O-N 2.95Å; C428-I433 HydrophobicContact CB-CB 4.24Å; C428-I433 HydrophobicContact CB-CD1 4.01Å; C428-G600 PolarHBondContact N-O 2.86Å; C428-G600 VanDerWaalsContact N-O 3.13Å; C428-G600 CarbonylContact O-C 3.52Å; C428-N601 PolarHBondContact O-N 2.88Å; C428-L625 HydrophobicContact CB-CD1 3.81Å
429	D	93.5	Very high	93	Very high	41 Å²	41	30.5 Å²	30.5	22%	0.219	16%	0.161	C	C	.	.			trans	-78.2	116.8	153.8	-170.2	-26.9	0	0	0	108.8	R431 L432 I433	D429-R431 PolarHBondContact O-N 2.67Å; D429-R431 VanDerWaalsContact O-N 3.16Å; D429-R431 VanDerWaalsContact OD1-CB 3.3Å; D429-R431 WeakPolarHBondContact OD1-CB 3.3Å; D429-R431 WeakPolarHBondContact OD1-CG 3.35Å; D429-R431 IonicContact OD1-CZ 2.63Å; D429-R431 PolarHBondContact OD1-N 2.89Å; D429-R431 IonicContact OD1-NE 3.88Å; D429-R431 PolarHBondContact OD1-NE 3.48Å; D429-R431 IonicContact OD1-NH2 2.98Å; D429-R431 IonicContact OD2-CZ 2.7Å; D429-R431 VanDerWaalsContact OD2-CZ 3.28Å; D429-R431 IonicContact OD2-NE 3.8Å; D429-R431 PolarHBondContact OD2-NE 3.46Å; D429-R431 VanDerWaalsContact OD2-NE 3.08Å; D429-R431 IonicContact OD2-NH2 2.76Å; D429-R431 PolarHBondContact OD2-NH2 3.26Å; D429-L432 HydrophobicContact CB-CB 4.42Å; D429-L432 HydrophobicContact CB-CD1 4.05Å; D429-L432 HydrophobicContact CB-CG 4.11Å; D429-L432 PolarHBondContact O-N 3.19Å; D429-I433 PolarHBondContact O-N 3.25Å
430	I	95.5	Very high	94.1	Very high	6 Å²	6	33.1 Å²	33.1	3%	0.031	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-24	-176.3	-62.3	-174	0	0	0	111.8	L432 M435 L469 L585 F586 L599	I430-L432 PolarHBondContact O-N 3.25Å; I430-M435 HydrophobicContact CG2-CE 4.44Å; I430-M435 HydrophobicContact CG2-SD 4.07Å; I430-L469 HydrophobicContact CG2-CD2 4.29Å; I430-L585 HydrophobicContact CD1-CB 4.08Å; I430-L585 HydrophobicContact CD1-CD2 4.32Å; I430-F586 HydrophobicContact CB-CE1 4Å; I430-F586 HydrophobicContact CB-CZ 4.27Å; I430-F586 HydrophobicContact CD1-CB 4.44Å; I430-F586 HydrophobicContact CD1-CD1 3.63Å; I430-F586 HydrophobicContact CD1-CD2 4.14Å; I430-F586 HydrophobicContact CD1-CE1 3.77Å; I430-F586 HydrophobicContact CD1-CE2 4.26Å; I430-F586 HydrophobicContact CD1-CG 3.82Å; I430-F586 HydrophobicContact CD1-CZ 4.08Å; I430-F586 HydrophobicContact CG1-CD1 4.41Å; I430-F586 HydrophobicContact CG1-CE1 4.26Å; I430-F586 HydrophobicContact CG2-CE1 4.33Å; I430-F586 HydrophobicContact CG2-CZ 4.09Å; I430-L599 HydrophobicContact CD1-CB 3.9Å; I430-L599 HydrophobicContact CG1-CB 4.14Å
431	R	92.7	Very high	94.9	Very high	115 Å²	115	32.1 Å²	32.1	43%	0.434	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-25.5	176.1	-60.6	172.8	-72.1	-167.4	-2.3	112.9	D429 M461 E465	D429-R431 PolarHBondContact O-N 2.67Å; D429-R431 VanDerWaalsContact O-N 3.16Å; D429-R431 VanDerWaalsContact OD1-CB 3.3Å; D429-R431 WeakPolarHBondContact OD1-CB 3.3Å; D429-R431 WeakPolarHBondContact OD1-CG 3.35Å; D429-R431 IonicContact OD1-CZ 2.63Å; D429-R431 PolarHBondContact OD1-N 2.89Å; D429-R431 IonicContact OD1-NE 3.88Å; D429-R431 PolarHBondContact OD1-NE 3.48Å; D429-R431 IonicContact OD1-NH2 2.98Å; D429-R431 IonicContact OD2-CZ 2.7Å; D429-R431 VanDerWaalsContact OD2-CZ 3.28Å; D429-R431 IonicContact OD2-NE 3.8Å; D429-R431 PolarHBondContact OD2-NE 3.46Å; D429-R431 VanDerWaalsContact OD2-NE 3.08Å; D429-R431 IonicContact OD2-NH2 2.76Å; D429-R431 PolarHBondContact OD2-NH2 3.26Å; R431-M461 HydrophobicContact CG-CE 3.52Å; R431-M461 HydrophobicContact CG-SD 4.27Å; R431-E465 WeakPolarHBondContact CD-OE1 3.34Å; R431-E465 IonicContact CZ-OE1 3.36Å; R431-E465 IonicContact NE-OE1 3.8Å; R431-E465 IonicContact NH1-OE1 3.28Å; R431-E465 PolarHBondContact NH1-OE1 3.01Å
432	L	92.9	Very high	95.3	Very high	125 Å²	125	32.9 Å²	32.9	65%	0.654	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-21.4	-169.3	-56.2	-178.5	0	0	0	112.8	D429 I430	D429-L432 HydrophobicContact CB-CB 4.42Å; D429-L432 HydrophobicContact CB-CD1 4.05Å; D429-L432 HydrophobicContact CB-CG 4.11Å; D429-L432 PolarHBondContact O-N 3.19Å; I430-L432 PolarHBondContact O-N 3.25Å
433	I	94.5	Very high	95.6	Very high	11 Å²	11	32.2 Å²	32.2	6%	0.056	17%	0.169	C	C	.	.	S	Bend	trans	-78	127.3	-178.7	-166.6	173.2	0	0	0	111.1	I426 C428 D429 M435 Y621 L625	I426-I433 HydrophobicContact CD1-CD1 4.21Å; I426-I433 HydrophobicContact CG2-CD1 4.09Å; C428-I433 HydrophobicContact CB-CB 4.24Å; C428-I433 HydrophobicContact CB-CD1 4.01Å; D429-I433 PolarHBondContact O-N 3.25Å; I433-M435 HydrophobicContact CG2-CG 3.83Å; I433-M435 PolarHBondContact O-N 3.05Å; I433-Y621 HydrophobicContact CG1-CE2 4.3Å; I433-L625 HydrophobicContact CD1-CD1 4.22Å; I433-L625 HydrophobicContact CG1-CD2 4.49Å
434	N	95	Very high	95.8	Very high	49 Å²	49	30.8 Å²	30.8	26%	0.262	16%	0.16	S	C	.	.			trans	-65.7	100.4	162.8	-176.6	-11.7	0	0	0	109.8	S436 I437 H620 Y621	N434-S436 VanDerWaalsContact C-N 3.3Å; N434-S436 PolarHBondContact O-N 2.77Å; N434-S436 WeakPolarHBondContact OD1-CB 3.39Å; N434-S436 PolarHBondContact OD1-N 2.97Å; N434-S436 VanDerWaalsContact OD1-N 3.12Å; N434-S436 PolarHBondContact OD1-OG 3.35Å; N434-I437 WeakPolarHBondContact O-CG1 3.36Å; N434-H620 PolarHBondContact ND2-CE1 3.14Å; N434-H620 PolarHBondContact ND2-NE2 3.39Å; N434-Y621 WeakPolarHBondContact CB-OH 3.34Å; N434-Y621 PolarHBondContact N-OH 3.43Å
435	M	96	Very high	95.9	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.03	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-72.8	-18.2	-176.4	-73.3	-175.4	-76.5	0	0	113.9	I430 I433 I437 L438 D470 I471 L474 L585 L599	I430-M435 HydrophobicContact CG2-CE 4.44Å; I430-M435 HydrophobicContact CG2-SD 4.07Å; I433-M435 HydrophobicContact CG2-CG 3.83Å; I433-M435 PolarHBondContact O-N 3.05Å; M435-I437 PolarHBondContact O-N 3.49Å; M435-L438 WeakPolarHBondContact O-CB 3.26Å; M435-L438 WeakPolarHBondContact O-CG 3.15Å; M435-L438 PolarHBondContact O-N 2.92Å; M435-D470 HydrophobicContact CE-CB 4.27Å; M435-I471 HydrophobicContact CE-CD1 4.37Å; M435-L474 HydrophobicContact CB-CD1 4.35Å; M435-L474 HydrophobicContact CB-CD2 3.96Å; M435-L474 HydrophobicContact CB-CG 4.23Å; M435-L474 HydrophobicContact SD-CD1 3.87Å; M435-L585 HydrophobicContact SD-CD2 4.2Å; M435-L599 HydrophobicContact CG-CD1 4.26Å; M435-L599 HydrophobicContact SD-CD1 4.39Å
436	S	95.9	Very high	95.9	Very high	60 Å²	60	28.5 Å²	28.5	42%	0.42	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-60.1	-23.4	-179.2	70.2	0	0	0	0	113.5	N434 L438 G439	N434-S436 VanDerWaalsContact C-N 3.3Å; N434-S436 PolarHBondContact O-N 2.77Å; N434-S436 WeakPolarHBondContact OD1-CB 3.39Å; N434-S436 PolarHBondContact OD1-N 2.97Å; N434-S436 VanDerWaalsContact OD1-N 3.12Å; N434-S436 PolarHBondContact OD1-OG 3.35Å; S436-L438 PolarHBondContact O-N 2.93Å; S436-G439 PolarHBondContact O-N 3.46Å
437	I	95.5	Very high	95.9	Very high	7 Å²	7	29.9 Å²	29.9	4%	0.036	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-64.6	-19.3	177.1	71	165.6	0	0	0	113	N434 M435 G439 R616 F617 H620 Y621	N434-I437 WeakPolarHBondContact O-CG1 3.36Å; M435-I437 PolarHBondContact O-N 3.49Å; I437-G439 VanDerWaalsContact C-N 3.29Å; I437-R616 HydrophobicContact CB-CB 4.11Å; I437-R616 PolarHBondContact O-NE 3.05Å; I437-R616 PolarHBondContact O-NH2 3.41Å; I437-F617 HydrophobicContact CD1-CB 4.03Å; I437-F617 HydrophobicContact CD1-CD2 3.51Å; I437-F617 HydrophobicContact CD1-CE2 4.39Å; I437-F617 HydrophobicContact CD1-CG 4.18Å; I437-H620 HydrophobicContact CG2-CB 3.97Å; I437-Y621 HydrophobicContact CD1-CD2 3.98Å; I437-Y621 HydrophobicContact CD1-CE2 3.65Å
438	L	96.6	Very high	95.9	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-78.4	-19.4	-177.8	-57.8	178.4	0	0	0	112.1	I426 M435 S436 F441 L474 R581 L583 I597 L599 V613 R616	I426-L438 HydrophobicContact CD1-CD2 3.75Å; M435-L438 WeakPolarHBondContact O-CB 3.26Å; M435-L438 WeakPolarHBondContact O-CG 3.15Å; M435-L438 PolarHBondContact O-N 2.92Å; S436-L438 PolarHBondContact O-N 2.93Å; L438-F441 HydrophobicContact CB-CE2 3.62Å; L438-F441 HydrophobicContact CB-CZ 3.8Å; L438-L474 HydrophobicContact CB-CD2 4.37Å; L438-L474 HydrophobicContact CD1-CD2 4.38Å; L438-R581 PolarHBondContact O-NH1 2.55Å; L438-R581 PolarHBondContact O-NH2 2.9Å; L438-R581 VanDerWaalsContact O-NH2 3.09Å; L438-L583 HydrophobicContact CD1-CD1 4.13Å; L438-I597 HydrophobicContact CD2-CG2 4.42Å; L438-L599 HydrophobicContact CD1-CD1 3.69Å; L438-L599 HydrophobicContact CD1-CD2 4.07Å; L438-L599 HydrophobicContact CD1-CG 4.24Å; L438-V613 HydrophobicContact CD2-CG1 3.99Å; L438-R616 PolarHBondContact O-NH2 3.24Å
439	G	95.3	Very high	95.9	Very high	20 Å²	20	30.3 Å²	30.3	21%	0.206	16%	0.164	C	C	.	.			trans	77.2	-155.6	-172.1	0	0	0	0	0	111.7	S436 I437	S436-G439 PolarHBondContact O-N 3.46Å; I437-G439 VanDerWaalsContact C-N 3.29Å
440	K	96.2	Very high	96	Very high	90 Å²	90	28.8 Å²	28.8	39%	0.391	16%	0.155	S	C	.	.			trans	-99.2	146.9	-174.2	-56.2	-66.3	-177.4	164.4	0	112.8	C473 L474 D476 R581	K440-C473 WeakPolarHBondContact CD-O 3.34Å; K440-C473 VanDerWaalsContact CE-O 3.32Å; K440-C473 WeakPolarHBondContact CE-O 3.36Å; K440-C473 PolarHBondContact NZ-O 2.79Å; K440-L474 VanDerWaalsContact CA-O 3.26Å; K440-L474 WeakPolarHBondContact CA-O 3.35Å; K440-D476 WeakPolarHBondContact CE-OD1 3.12Å; K440-D476 WeakPolarHBondContact CE-OD2 3.46Å; K440-D476 IonicContact NZ-OD1 2.71Å; K440-D476 PolarHBondContact NZ-OD1 3.31Å; K440-D476 IonicContact NZ-OD2 2.71Å; K440-D476 PolarHBondContact NZ-OD2 3.34Å; K440-R581 PolarHBondContact O-NH1 3.07Å
441	F	96.9	Very high	95.8	Very high	7 Å²	7	30.6 Å²	30.6	3%	0.031	17%	0.165	C	C	.	.			trans	-123.2	147.8	178.6	-62.5	-88.9	0	0	0	111	L438 I444 L474 Q475 R581 K582 L583 I597	L438-F441 HydrophobicContact CB-CE2 3.62Å; L438-F441 HydrophobicContact CB-CZ 3.8Å; F441-I444 HydrophobicContact CB-CG1 4.23Å; F441-L474 HydrophobicContact CD2-CD2 4.15Å; F441-L474 HydrophobicContact CE2-CD2 3.97Å; F441-L474 PolarHBondContact N-O 3.23Å; F441-Q475 WeakPolarHBondContact O-CG 3.32Å; F441-R581 HydrophobicContact CD1-CB 3.97Å; F441-R581 HydrophobicContact CE1-CB 4.49Å; F441-K582 VanDerWaalsContact CD1-C 3.45Å; F441-K582 WeakPolarHBondContact CD1-O 3.48Å; F441-K582 WeakPolarHBondContact CE1-O 3.3Å; F441-L583 HydrophobicContact CB-CB 4.27Å; F441-L583 HydrophobicContact CD1-CB 3.66Å; F441-L583 HydrophobicContact CD2-CB 3.85Å; F441-L583 HydrophobicContact CD2-CD2 3.83Å; F441-L583 HydrophobicContact CD2-CG 4.43Å; F441-L583 HydrophobicContact CE1-CB 3.82Å; F441-L583 HydrophobicContact CE2-CB 4.03Å; F441-L583 HydrophobicContact CE2-CD1 4.35Å; F441-L583 HydrophobicContact CE2-CD2 3.77Å; F441-L583 HydrophobicContact CE2-CG 4.29Å; F441-L583 HydrophobicContact CG-CB 3.64Å; F441-L583 HydrophobicContact CG-CD2 4.46Å; F441-L583 HydrophobicContact CZ-CB 3.99Å; F441-L583 HydrophobicContact CZ-CD1 4.12Å; F441-L583 HydrophobicContact CZ-CD2 4.33Å; F441-L583 HydrophobicContact CZ-CG 4.39Å; F441-I597 HydrophobicContact CE1-CB 4.28Å; F441-I597 HydrophobicContact CE1-CD1 4.15Å; F441-I597 HydrophobicContact CE1-CG1 4.23Å; F441-I597 HydrophobicContact CZ-CB 4.35Å; F441-I597 HydrophobicContact CZ-CD1 4.02Å; F441-I597 HydrophobicContact CZ-CG1 4.44Å
442	A	96	Very high	95.3	Very high	27 Å²	27	27.4 Å²	27.4	22%	0.223	16%	0.156	C	C	.	.	S	Bend	trans	-81.4	-31.7	176	0	0	0	0	0	111.7	G478 Y479 T580 R581	A442-G478 CarbonylContact O-C 3.53Å; A442-G478 WeakPolarHBondContact O-CA 3.48Å; A442-Y479 PolarHBondContact O-N 2.75Å; A442-T580 VanDerWaalsContact CB-CB 3.5Å; A442-T580 HydrophobicContact CB-CG2 4.01Å; A442-R581 PolarHBondContact N-O 3.33Å
443	V	98.2	Very high	94.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	134.9	174.8	-169.2	0	0	0	0	110.5	Y479 F481 I573 K582 L583	V443-Y479 CarbonylContact C-O 3.51Å; V443-Y479 VanDerWaalsContact CA-O 3.28Å; V443-Y479 WeakPolarHBondContact CA-O 3.42Å; V443-F481 HydrophobicContact CG1-CD2 3.73Å; V443-F481 HydrophobicContact CG1-CE2 3.9Å; V443-I573 HydrophobicContact CB-CG2 4.03Å; V443-I573 HydrophobicContact CG1-CG2 3.66Å; V443-I573 HydrophobicContact CG2-CG2 4.23Å; V443-K582 HydrophobicContact CB-CG 4.26Å; V443-K582 WeakPolarHBondContact O-CA 3.46Å; V443-L583 PolarHBondContact O-N 2.88Å
444	I	98.7	Very high	94.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136	171.2	-59.6	173.4	0	0	0	108.3	F441 I471 L474 Q475 Y479 I480 F481 L583 L585	F441-I444 HydrophobicContact CB-CG1 4.23Å; I444-I471 HydrophobicContact CD1-CG2 4.45Å; I444-L474 HydrophobicContact CD1-CB 3.62Å; I444-L474 HydrophobicContact CD1-CD1 4.17Å; I444-Q475 HydrophobicContact CD1-CB 4.1Å; I444-Y479 PolarHBondContact N-O 3.06Å; I444-I480 HydrophobicContact CB-CB 4.48Å; I444-I480 HydrophobicContact CB-CD1 4.47Å; I444-I480 HydrophobicContact CB-CG1 4.1Å; I444-I480 HydrophobicContact CG2-CD1 4.21Å; I444-I480 HydrophobicContact CG2-CG1 4.17Å; I444-I480 CarbonylContact O-C 3.57Å; I444-I480 VanDerWaalsContact O-CA 3.24Å; I444-I480 WeakPolarHBondContact O-CA 3.46Å; I444-F481 PolarHBondContact O-N 3.08Å; I444-L583 CarbonylContact C-O 3.48Å; I444-L583 WeakPolarHBondContact CA-O 3.27Å; I444-L583 HydrophobicContact CG1-CB 4.34Å; I444-L583 HydrophobicContact CG1-CD2 4.4Å; I444-L585 HydrophobicContact CG2-CD1 3.94Å; I444-L585 HydrophobicContact CG2-CG 4.21Å
445	M	98.6	Very high	93.4	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.015	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	140.6	166	-168.8	-176.5	70	0	0	109	F481 I569 Y570 I573 L583 E584 L585 W596	M445-F481 CarbonylContact C-O 3.54Å; M445-F481 VanDerWaalsContact CA-O 3.32Å; M445-F481 WeakPolarHBondContact CA-O 3.2Å; M445-F481 HydrophobicContact CB-CB 4.41Å; M445-F481 HydrophobicContact CG-CB 4.07Å; M445-I569 HydrophobicContact SD-CG1 4.17Å; M445-I569 HydrophobicContact SD-CG2 3.78Å; M445-Y570 HydrophobicContact CE-CD1 4.38Å; M445-Y570 HydrophobicContact CE-CE1 3.45Å; M445-Y570 VanDerWaalsContact CE-CE1 3.45Å; M445-Y570 WeakPolarHBondContact CE-OH 3.3Å; M445-Y570 HydrophobicContact SD-CE1 4.2Å; M445-I573 HydrophobicContact CB-CD1 4.3Å; M445-I573 HydrophobicContact CG-CD1 4.36Å; M445-I573 HydrophobicContact SD-CD1 4.14Å; M445-L583 PolarHBondContact N-O 2.71Å; M445-E584 HydrophobicContact CE-CB 4.37Å; M445-E584 HydrophobicContact CE-CG 3.55Å; M445-E584 WeakPolarHBondContact CE-OE1 3.43Å; M445-E584 CarbonylContact O-C 3.56Å; M445-E584 WeakPolarHBondContact O-CA 3.41Å; M445-L585 PolarHBondContact O-N 2.71Å; M445-W596 HydrophobicContact CB-CH2 4Å; M445-W596 HydrophobicContact CB-CZ3 3.78Å
446	A	98.3	Very high	92.7	Very high	3 Å²	3	42 Å²	42	3%	0.025	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	134	176.3	0	0	0	0	0	110.8	P448 F481 L482 W483 L585 F586	A446-P448 HydrophobicContact CB-CG 4.35Å; A446-F481 PolarHBondContact N-O 3.09Å; A446-L482 HydrophobicContact CB-CD1 3.86Å; A446-W483 PolarHBondContact O-N 3.02Å; A446-L585 WeakPolarHBondContact CA-O 3.18Å; A446-L585 HydrophobicContact CB-CB 3.97Å; A446-L585 HydrophobicContact CB-CD1 4.36Å; A446-F586 HydrophobicContact CB-CD2 4.41Å
447	D	96.8	Very high	91.9	Very high	28 Å²	28	44.7 Å²	44.7	15%	0.15	24%	0.237	C	C	.	.			trans	-121.8	74	168.7	-174	27.1	0	0	0	110.8	W483 K565 L585 F586	D447-W483 HydrophobicContact CB-CB 4.23Å; D447-W483 HydrophobicContact CB-CG 4.4Å; D447-W483 WeakPolarHBondContact OD1-CB 3.46Å; D447-K565 WeakPolarHBondContact OD1-CE 2.99Å; D447-K565 IonicContact OD1-NZ 2.77Å; D447-K565 PolarHBondContact OD1-NZ 2.8Å; D447-K565 WeakPolarHBondContact OD2-CE 3.32Å; D447-K565 VanDerWaalsContact OD2-CG 3.3Å; D447-K565 WeakPolarHBondContact OD2-CG 3.49Å; D447-K565 IonicContact OD2-NZ 2.93Å; D447-K565 PolarHBondContact OD2-NZ 2.79Å; D447-L585 PolarHBondContact N-O 3.28Å; D447-F586 VanDerWaalsContact O-CB 3.24Å; D447-F586 WeakPolarHBondContact O-CB 3.21Å
448	P	96.5	Very high	91.3	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.032	25%	0.252	C	S	.	.			trans	-65.7	147.6	-172.4	-18.3	31.7	0	0	0	112.7	A446 W450 M466 L482 F586	A446-P448 HydrophobicContact CB-CG 4.35Å; P448-W450 HydrophobicContact CB-CD2 4.29Å; P448-W450 HydrophobicContact CB-CZ2 4.23Å; P448-W450 HydrophobicContact CG-CZ2 3.8Å; P448-W450 PolarHBondContact O-N 3.3Å; P448-M466 HydrophobicContact CB-CE 3.43Å; P448-M466 VanDerWaalsContact CB-CE 3.43Å; P448-M466 HydrophobicContact CB-SD 3.64Å; P448-M466 HydrophobicContact CG-CE 3.43Å; P448-M466 VanDerWaalsContact CG-CE 3.43Å; P448-M466 HydrophobicContact CG-SD 4.32Å; P448-L482 HydrophobicContact CG-CD1 3.78Å; P448-F586 HydrophobicContact CB-CD2 4.03Å; P448-F586 HydrophobicContact CB-CE2 3.88Å; P448-F586 HydrophobicContact CB-CZ 4.29Å; P448-F586 HydrophobicContact CG-CD2 4Å; P448-F586 HydrophobicContact CG-CE2 3.86Å
449	P	95	Very high	90.7	Very high	34 Å²	34	51.8 Å²	51.8	22%	0.221	28%	0.284	C	S	.	.			trans	-78.3	68.4	174.1	34.8	-36.3	0	0	0	109.9	D451 Y458 T460 M461 F586	P449-D451 PolarHBondContact O-N 3.31Å; P449-Y458 HydrophobicContact CB-CD2 4.38Å; P449-Y458 HydrophobicContact CB-CE2 4.36Å; P449-T460 CarbonylContact O-C 3.53Å; P449-T460 VanDerWaalsContact O-CA 3.22Å; P449-T460 WeakPolarHBondContact O-CA 3.32Å; P449-T460 WeakPolarHBondContact O-CB 3.29Å; P449-M461 HydrophobicContact CG-CB 4.29Å; P449-M461 PolarHBondContact O-N 2.87Å; P449-F586 VanDerWaalsContact CD-CD1 3.46Å; P449-F586 HydrophobicContact CG-CD1 4.32Å
450	W	94.3	Very high	90.5	Very high	9 Å²	9	53 Å²	53	3%	0.034	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-51.5	129.3	-179.4	-59.6	101.1	0	0	0	110.8	P448 I452 M466 L482 W483 V484 T485 A488 L491	P448-W450 HydrophobicContact CB-CD2 4.29Å; P448-W450 HydrophobicContact CB-CZ2 4.23Å; P448-W450 HydrophobicContact CG-CZ2 3.8Å; P448-W450 PolarHBondContact O-N 3.3Å; W450-I452 HydrophobicContact CB-CG2 4.5Å; W450-I452 PolarHBondContact O-N 3.34Å; W450-M466 HydrophobicContact CE3-CE 4.39Å; W450-M466 HydrophobicContact CE3-CG 3.89Å; W450-M466 HydrophobicContact CE3-SD 4.44Å; W450-M466 HydrophobicContact CH2-CE 3.58Å; W450-M466 HydrophobicContact CH2-CG 4.42Å; W450-M466 HydrophobicContact CZ2-CE 4.06Å; W450-M466 HydrophobicContact CZ3-CB 4Å; W450-M466 HydrophobicContact CZ3-CE 3.76Å; W450-M466 HydrophobicContact CZ3-CG 3.61Å; W450-M466 HydrophobicContact CZ3-SD 4.24Å; W450-L482 HydrophobicContact CZ2-CD1 4.08Å; W450-L482 HydrophobicContact CZ2-CD2 4.33Å; W450-L482 HydrophobicContact CZ2-CG 4.3Å; W450-W483 PolarHBondContact NE1-O 3.46Å; W450-V484 HydrophobicContact CZ2-CG1 3.9Å; W450-T485 HydrophobicContact CB-CG2 4.43Å; W450-A488 HydrophobicContact CB-CB 4.24Å; W450-A488 HydrophobicContact CD2-CB 3.53Å; W450-A488 HydrophobicContact CE3-CB 3.69Å; W450-A488 HydrophobicContact CG-CB 3.78Å; W450-A488 HydrophobicContact CZ3-CB 4.26Å; W450-L491 HydrophobicContact CE3-CD2 3.91Å; W450-L491 HydrophobicContact CZ3-CD2 3.57Å; W450-L491 HydrophobicContact CZ3-CG 3.96Å
451	D	91	Very high	90.4	Very high	44 Å²	44	49 Å²	49	24%	0.235	27%	0.271	C	S	.	.			trans	-60.1	129.6	163.6	-172.7	0.8	0	0	0	108.5	P449 H453 M461 R487	P449-D451 PolarHBondContact O-N 3.31Å; D451-H453 IonicContact OD1-CD2 3.57Å; D451-H453 PolarHBondContact OD1-N 3.43Å; D451-H453 IonicContact OD2-CD2 3.05Å; D451-M461 PolarHBondContact N-O 3.37Å; D451-M461 VanDerWaalsContact N-O 3.13Å; D451-R487 PolarHBondContact O-NE 2.98Å; D451-R487 PolarHBondContact O-NH2 2.84Å
452	I	84.1	Confident	90.2	Very high	48 Å²	48	50.7 Å²	50.7	25%	0.246	28%	0.284	C	S	.	.			trans	-120.2	12.2	177.6	61.1	170	0	0	0	112	W450 M454 L456 T485	W450-I452 HydrophobicContact CB-CG2 4.5Å; W450-I452 PolarHBondContact O-N 3.34Å; I452-M454 HydrophobicContact CD1-CB 4.2Å; I452-M454 HydrophobicContact CD1-CG 4.29Å; I452-M454 HydrophobicContact CD1-SD 4.07Å; I452-M454 HydrophobicContact CG1-CB 4.04Å; I452-M454 HydrophobicContact CG1-CG 4.24Å; I452-M454 PolarHBondContact O-N 2.99Å; I452-L456 HydrophobicContact CD1-CD1 3.96Å; I452-L456 HydrophobicContact CD1-CD2 4.19Å; I452-L456 HydrophobicContact CD1-CG 4.38Å; I452-L456 HydrophobicContact CG1-CD1 3.85Å; I452-L456 HydrophobicContact CG1-CG 4.47Å; I452-T485 HydrophobicContact CG2-CG2 4.15Å
453	H	81.7	Confident	90.2	Very high	142 Å²	142	51.4 Å²	51.4	66%	0.657	28%	0.284	S	S	*	.	S	Bend	trans	58.5	37	-177.6	-47.5	167.8	0	0	0	112.6	D451	D451-H453 IonicContact OD1-CD2 3.57Å; D451-H453 PolarHBondContact OD1-N 3.43Å; D451-H453 IonicContact OD2-CD2 3.05Å
454	M	80.5	Confident	90.1	Very high	100 Å²	100	55.7 Å²	55.7	49%	0.493	31%	0.307	S	S	.	.	S	Bend	trans	-132.6	154.8	173.7	-62.2	-174.5	63.7	0	0	109.4	I452 L456 T524	I452-M454 HydrophobicContact CD1-CB 4.2Å; I452-M454 HydrophobicContact CD1-CG 4.29Å; I452-M454 HydrophobicContact CD1-SD 4.07Å; I452-M454 HydrophobicContact CG1-CB 4.04Å; I452-M454 HydrophobicContact CG1-CG 4.24Å; I452-M454 PolarHBondContact O-N 2.99Å; M454-L456 PolarHBondContact O-N 3.19Å; M454-T524 HydrophobicContact CE-CG2 3.94Å; M454-T524 HydrophobicContact SD-CG2 4.33Å
455	E	79.3	Confident	89.9	Confident	202 Å²	202	58 Å²	58	94%	0.944	32%	0.317	S	S	*	.			trans	-70.3	120.2	170.7	-68.9	-179.3	-177.7	0	0	110
456	L	80.8	Confident	89.8	Confident	53 Å²	53	57.8 Å²	57.8	28%	0.277	32%	0.316	S	S	.	.			trans	-120.5	150.8	180	-70.3	174.9	0	0	0	110.2	I452 M454 Y458 T460	I452-L456 HydrophobicContact CD1-CD1 3.96Å; I452-L456 HydrophobicContact CD1-CD2 4.19Å; I452-L456 HydrophobicContact CD1-CG 4.38Å; I452-L456 HydrophobicContact CG1-CD1 3.85Å; I452-L456 HydrophobicContact CG1-CG 4.47Å; M454-L456 PolarHBondContact O-N 3.19Å; L456-Y458 HydrophobicContact CB-CE1 4.36Å; L456-Y458 HydrophobicContact CB-CE2 4.32Å; L456-Y458 HydrophobicContact CD1-CE2 3.84Å; L456-Y458 PolarHBondContact O-N 2.99Å; L456-T460 HydrophobicContact CD1-CG2 3.76Å
457	P	79.4	Confident	89.7	Confident	117 Å²	117	61.2 Å²	61.2	76%	0.76	33%	0.329	S	S	*	.	S	Bend	trans	-75.7	17.3	-179.5	32.3	-34.9	0	0	0	113.4
458	Y	82.2	Confident	89.7	Confident	89 Å²	89	67.9 Å²	67.9	35%	0.349	35%	0.352	S	S	.	.	S	Bend	trans	-150.7	157.7	-179.5	50.7	-95.9	0	0	0	110.6	P449 L456 S563	P449-Y458 HydrophobicContact CB-CD2 4.38Å; P449-Y458 HydrophobicContact CB-CE2 4.36Å; L456-Y458 HydrophobicContact CB-CE1 4.36Å; L456-Y458 HydrophobicContact CB-CE2 4.32Å; L456-Y458 HydrophobicContact CD1-CE2 3.84Å; L456-Y458 PolarHBondContact O-N 2.99Å; Y458-S563 PolarHBondContact OH-OG 2.87Å
459	G	85.5	Confident	89.7	Confident	66 Å²	66	68.2 Å²	68.2	68%	0.68	35%	0.353	S	S	*	.			trans	-66.8	136.8	175.8	0	0	0	0	0	111.9
460	T	91.1	Very high	89.8	Confident	47 Å²	47	70.3 Å²	70.3	29%	0.288	36%	0.362	S	S	.	.			trans	-101.3	167.1	175.6	56	0	0	0	0	111.4	P449 L456	P449-T460 CarbonylContact O-C 3.53Å; P449-T460 VanDerWaalsContact O-CA 3.22Å; P449-T460 WeakPolarHBondContact O-CA 3.32Å; P449-T460 WeakPolarHBondContact O-CB 3.29Å; L456-T460 HydrophobicContact CD1-CG2 3.76Å
461	M	92.9	Very high	90	Very high	5 Å²	5	70 Å²	70	3%	0.025	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-112.2	131.3	173.5	-169.2	170.4	-57.6	0	0	109.6	R431 P449 D451 E465 M466 L469 F586	R431-M461 HydrophobicContact CG-CE 3.52Å; R431-M461 HydrophobicContact CG-SD 4.27Å; P449-M461 HydrophobicContact CG-CB 4.29Å; P449-M461 PolarHBondContact O-N 2.87Å; D451-M461 PolarHBondContact N-O 3.37Å; D451-M461 VanDerWaalsContact N-O 3.13Å; M461-E465 HydrophobicContact CG-CB 3.38Å; M461-E465 HydrophobicContact CG-CG 4.38Å; M461-E465 HydrophobicContact SD-CB 3.89Å; M461-M466 HydrophobicContact CB-CG 4.3Å; M461-M466 HydrophobicContact CB-SD 4.03Å; M461-M466 HydrophobicContact CG-CG 3.95Å; M461-M466 HydrophobicContact CG-SD 3.83Å; M461-M466 HydrophobicContact SD-CG 4.01Å; M461-M466 HydrophobicContact SD-SD 3.29Å; M461-L469 HydrophobicContact CE-CD2 4.48Å; M461-L469 HydrophobicContact SD-CD1 4.12Å; M461-L469 HydrophobicContact SD-CD2 4.14Å; M461-L469 HydrophobicContact SD-CG 4.3Å; M461-F586 HydrophobicContact CE-CE1 3.58Å; M461-F586 HydrophobicContact CE-CZ 3.9Å
462	S	94.2	Very high	90.3	Very high	43 Å²	43	70 Å²	70	30%	0.301	36%	0.364	S	S	.	.			trans	-68.6	157.3	176.7	63.9	0	0	0	0	111.8	D464 E465 M466	S462-D464 PolarHBondContact O-N 2.92Å; S462-E465 WeakPolarHBondContact CB-OE2 3.2Å; S462-E465 PolarHBondContact N-OE2 3.04Å; S462-E465 PolarHBondContact O-N 3.48Å; S462-E465 VanDerWaalsContact O-N 3.13Å; S462-E465 WeakPolarHBondContact OG-CB 3.41Å; S462-E465 VanDerWaalsContact OG-CD 3.3Å; S462-E465 WeakPolarHBondContact OG-CG 3.47Å; S462-E465 PolarHBondContact OG-N 3.44Å; S462-E465 PolarHBondContact OG-OE2 3.31Å; S462-M466 PolarHBondContact O-N 2.9Å
463	D	95.1	Very high	90.9	Very high	42 Å²	42	69 Å²	69	23%	0.225	36%	0.361	C	S	.	.	H	α-helix	trans	-57.9	-37.6	-179.1	-66.4	-1.5	0	0	0	112	M466 R467 R487 L491	D463-M466 WeakPolarHBondContact O-CB 3.42Å; D463-M466 PolarHBondContact O-N 2.73Å; D463-R467 WeakPolarHBondContact O-CG 3.22Å; D463-R467 PolarHBondContact O-N 2.93Å; D463-R467 VanDerWaalsContact O-N 3.08Å; D463-R487 IonicContact OD1-CZ 2.83Å; D463-R487 IonicContact OD1-NH1 3.55Å; D463-R487 PolarHBondContact OD1-NH1 2.96Å; D463-R487 IonicContact OD1-NH2 3.97Å; D463-R487 PolarHBondContact OD1-NH2 3.21Å; D463-R487 IonicContact OD2-CZ 3.43Å; D463-R487 IonicContact OD2-NH1 2.82Å; D463-R487 PolarHBondContact OD2-NH1 3.11Å; D463-R487 IonicContact OD2-NH2 3.64Å; D463-L491 HydrophobicContact CB-CD1 4.2Å; D463-L491 HydrophobicContact CB-CD2 3.78Å; D463-L491 WeakPolarHBondContact OD1-CD2 3.3Å
464	D	95.5	Very high	91.7	Very high	90 Å²	90	62.2 Å²	62.2	48%	0.481	33%	0.329	S	S	.	.	H	α-helix	trans	-74.9	-33.4	179	-68.5	-20.4	0	0	0	113.1	S462 M466 R467 R468	S462-D464 PolarHBondContact O-N 2.92Å; D464-M466 VanDerWaalsContact C-N 3.33Å; D464-R467 IonicContact OD1-NH1 3.68Å; D464-R467 PolarHBondContact OD1-NH1 2.81Å; D464-R468 WeakPolarHBondContact O-CG 3.39Å; D464-R468 VanDerWaalsContact O-CZ 3.31Å; D464-R468 PolarHBondContact O-N 3.41Å; D464-R468 PolarHBondContact O-NH1 3.5Å
465	E	95.7	Very high	92.5	Very high	47 Å²	47	57.5 Å²	57.5	22%	0.22	31%	0.306	C	S	.	.	H	α-helix	trans	-63.8	-42.2	170.7	-75.1	169.2	119.8	0	0	110.8	R431 M461 S462 R467 R468 L469	R431-E465 WeakPolarHBondContact CD-OE1 3.34Å; R431-E465 IonicContact CZ-OE1 3.36Å; R431-E465 IonicContact NE-OE1 3.8Å; R431-E465 IonicContact NH1-OE1 3.28Å; R431-E465 PolarHBondContact NH1-OE1 3.01Å; M461-E465 HydrophobicContact CG-CB 3.38Å; M461-E465 HydrophobicContact CG-CG 4.38Å; M461-E465 HydrophobicContact SD-CB 3.89Å; S462-E465 WeakPolarHBondContact CB-OE2 3.2Å; S462-E465 PolarHBondContact N-OE2 3.04Å; S462-E465 PolarHBondContact O-N 3.48Å; S462-E465 VanDerWaalsContact O-N 3.13Å; S462-E465 WeakPolarHBondContact OG-CB 3.41Å; S462-E465 VanDerWaalsContact OG-CD 3.3Å; S462-E465 WeakPolarHBondContact OG-CG 3.47Å; S462-E465 PolarHBondContact OG-N 3.44Å; S462-E465 PolarHBondContact OG-OE2 3.31Å; E465-R467 PolarHBondContact O-N 3.09Å; E465-R468 PolarHBondContact O-N 2.94Å; E465-L469 PolarHBondContact O-N 3.27Å
466	M	96.5	Very high	93.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-57.9	-49.4	175.5	-72.8	-58.7	-52.2	0	0	111.3	P448 W450 M461 S462 D463 D464 R468 L469 W499	P448-M466 HydrophobicContact CB-CE 3.43Å; P448-M466 VanDerWaalsContact CB-CE 3.43Å; P448-M466 HydrophobicContact CB-SD 3.64Å; P448-M466 HydrophobicContact CG-CE 3.43Å; P448-M466 VanDerWaalsContact CG-CE 3.43Å; P448-M466 HydrophobicContact CG-SD 4.32Å; W450-M466 HydrophobicContact CE3-CE 4.39Å; W450-M466 HydrophobicContact CE3-CG 3.89Å; W450-M466 HydrophobicContact CE3-SD 4.44Å; W450-M466 HydrophobicContact CH2-CE 3.58Å; W450-M466 HydrophobicContact CH2-CG 4.42Å; W450-M466 HydrophobicContact CZ2-CE 4.06Å; W450-M466 HydrophobicContact CZ3-CB 4Å; W450-M466 HydrophobicContact CZ3-CE 3.76Å; W450-M466 HydrophobicContact CZ3-CG 3.61Å; W450-M466 HydrophobicContact CZ3-SD 4.24Å; M461-M466 HydrophobicContact CB-CG 4.3Å; M461-M466 HydrophobicContact CB-SD 4.03Å; M461-M466 HydrophobicContact CG-CG 3.95Å; M461-M466 HydrophobicContact CG-SD 3.83Å; M461-M466 HydrophobicContact SD-CG 4.01Å; M461-M466 HydrophobicContact SD-SD 3.29Å; S462-M466 PolarHBondContact O-N 2.9Å; D463-M466 WeakPolarHBondContact O-CB 3.42Å; D463-M466 PolarHBondContact O-N 2.73Å; D464-M466 VanDerWaalsContact C-N 3.33Å; M466-R468 PolarHBondContact O-N 3.34Å; M466-L469 HydrophobicContact CE-CD1 3.81Å; M466-L469 PolarHBondContact O-N 3.15Å; M466-L469 HydrophobicContact SD-CD1 4.01Å; M466-W499 HydrophobicContact CE-CH2 4.16Å; M466-W499 HydrophobicContact CE-CZ2 4.49Å; M466-W499 VanDerWaalsContact O-CZ2 3.32Å; M466-W499 WeakPolarHBondContact O-CZ2 3.47Å
467	R	96.7	Very high	94.1	Very high	75 Å²	75	53.7 Å²	53.7	28%	0.283	29%	0.293	S	S	.	.	H	α-helix	trans	-57.8	-33.3	178	-71.2	-179.1	-177.2	93.5	8.3	113.3	D463 D464 E465 L491 E494 L498	D463-R467 WeakPolarHBondContact O-CG 3.22Å; D463-R467 PolarHBondContact O-N 2.93Å; D463-R467 VanDerWaalsContact O-N 3.08Å; D464-R467 IonicContact OD1-NH1 3.68Å; D464-R467 PolarHBondContact OD1-NH1 2.81Å; E465-R467 PolarHBondContact O-N 3.09Å; R467-L491 HydrophobicContact CG-CD1 4.47Å; R467-E494 IonicContact CZ-OE1 3.18Å; R467-E494 IonicContact CZ-OE2 2.95Å; R467-E494 IonicContact NE-OE1 2.78Å; R467-E494 PolarHBondContact NE-OE1 2.91Å; R467-E494 IonicContact NE-OE2 3.42Å; R467-E494 PolarHBondContact NE-OE2 2.79Å; R467-E494 IonicContact NH2-OE1 2.83Å; R467-E494 IonicContact NH2-OE2 2.72Å; R467-E494 PolarHBondContact NH2-OE2 2.8Å; R467-L498 HydrophobicContact CB-CD1 4.16Å; R467-L498 HydrophobicContact CG-CD1 3.84Å
468	R	96.3	Very high	95	Very high	168 Å²	168	48.2 Å²	48.2	63%	0.634	26%	0.257	S	S	*	.	H	α-helix	trans	-84.2	-7	-175.8	-73.5	-170.8	-59	-94.9	-2.5	114.8	D464 E465 M466 D470	D464-R468 WeakPolarHBondContact O-CG 3.39Å; D464-R468 VanDerWaalsContact O-CZ 3.31Å; D464-R468 PolarHBondContact O-N 3.41Å; D464-R468 PolarHBondContact O-NH1 3.5Å; E465-R468 PolarHBondContact O-N 2.94Å; M466-R468 PolarHBondContact O-N 3.34Å; R468-D470 PolarHBondContact O-N 3.47Å
469	L	96.8	Very high	95.8	Very high	11 Å²	11	45 Å²	45	6%	0.058	25%	0.245	C	C	.	.			trans	-58.5	130.8	178.2	-66.9	177.3	0	0	0	110.9	I430 M461 E465 M466 I471 W499 F586	I430-L469 HydrophobicContact CG2-CD2 4.29Å; M461-L469 HydrophobicContact CE-CD2 4.48Å; M461-L469 HydrophobicContact SD-CD1 4.12Å; M461-L469 HydrophobicContact SD-CD2 4.14Å; M461-L469 HydrophobicContact SD-CG 4.3Å; E465-L469 PolarHBondContact O-N 3.27Å; M466-L469 HydrophobicContact CE-CD1 3.81Å; M466-L469 PolarHBondContact O-N 3.15Å; M466-L469 HydrophobicContact SD-CD1 4.01Å; L469-I471 HydrophobicContact CB-CD1 4.16Å; L469-I471 HydrophobicContact CB-CG1 3.96Å; L469-I471 PolarHBondContact O-N 3.37Å; L469-W499 HydrophobicContact CB-CZ2 4.27Å; L469-W499 HydrophobicContact CD1-CZ2 4.38Å; L469-W499 PolarHBondContact O-NE1 3.34Å; L469-F586 HydrophobicContact CD1-CE2 4.28Å; L469-F586 HydrophobicContact CD1-CZ 3.85Å
470	D	96.1	Very high	96.4	Very high	79 Å²	79	42 Å²	42	42%	0.422	21%	0.212	S	C	.	.			trans	-79.7	54.9	178.6	-171.7	16.9	0	0	0	112	M435 R468 P472 C473	M435-D470 HydrophobicContact CE-CB 4.27Å; R468-D470 PolarHBondContact O-N 3.47Å; D470-P472 VanDerWaalsContact C-CD 3.41Å; D470-C473 PolarHBondContact O-SG 2.96Å; D470-C473 PolarHBondContact OD1-N 2.98Å
471	I	98	Very high	96.8	Very high	2 Å²	2	40 Å²	40	1%	0.01	20%	0.2	C	C	.	.			trans	-63.4	-37.7	171.5	-53	-55.9	0	0	0	112.4	M435 I444 L469 C473 L474 I480 W499 Y501 L585	M435-I471 HydrophobicContact CE-CD1 4.37Å; I444-I471 HydrophobicContact CD1-CG2 4.45Å; L469-I471 HydrophobicContact CB-CD1 4.16Å; L469-I471 HydrophobicContact CB-CG1 3.96Å; L469-I471 PolarHBondContact O-N 3.37Å; I471-C473 PolarHBondContact O-N 3.05Å; I471-C473 VanDerWaalsContact O-N 3.09Å; I471-L474 HydrophobicContact CD1-CD1 4.44Å; I471-L474 WeakPolarHBondContact O-CB 3.35Å; I471-L474 PolarHBondContact O-N 3.01Å; I471-I480 HydrophobicContact CG2-CD1 4.02Å; I471-W499 HydrophobicContact CB-CB 4.25Å; I471-W499 HydrophobicContact CB-CD2 3.86Å; I471-W499 HydrophobicContact CB-CE3 4.23Å; I471-W499 HydrophobicContact CB-CG 3.87Å; I471-W499 HydrophobicContact CG1-CD2 3.77Å; I471-W499 HydrophobicContact CG1-CE3 4.04Å; I471-W499 HydrophobicContact CG1-CG 4.25Å; I471-W499 HydrophobicContact CG1-CH2 4.19Å; I471-W499 HydrophobicContact CG1-CZ2 3.92Å; I471-W499 HydrophobicContact CG1-CZ3 4.24Å; I471-W499 HydrophobicContact CG2-CB 4.45Å; I471-W499 HydrophobicContact CG2-CD2 4.32Å; I471-W499 HydrophobicContact CG2-CE3 4.24Å; I471-W499 HydrophobicContact CG2-CG 4.44Å; I471-Y501 HydrophobicContact CG2-CE2 4.02Å; I471-L585 HydrophobicContact CD1-CD1 3.35Å
472	P	97.8	Very high	97	Very high	45 Å²	45	39.7 Å²	39.7	29%	0.292	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-54.4	-31.8	-178.9	-30.5	38.1	0	0	0	114.9	D470 L474 W499 K540	D470-P472 VanDerWaalsContact C-CD 3.41Å; P472-L474 PolarHBondContact O-N 2.66Å; P472-W499 HydrophobicContact CG-CB 4.18Å; P472-K540 PolarHBondContact O-NZ 3.44Å
473	C	97.3	Very high	97.2	Very high	26 Å²	26	37.7 Å²	37.7	18%	0.176	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-65.5	-22.9	-179.3	80.6	0	0	0	0	113.5	K440 D470 I471	K440-C473 WeakPolarHBondContact CD-O 3.34Å; K440-C473 VanDerWaalsContact CE-O 3.32Å; K440-C473 WeakPolarHBondContact CE-O 3.36Å; K440-C473 PolarHBondContact NZ-O 2.79Å; D470-C473 PolarHBondContact O-SG 2.96Å; D470-C473 PolarHBondContact OD1-N 2.98Å; I471-C473 PolarHBondContact O-N 3.05Å; I471-C473 VanDerWaalsContact O-N 3.09Å
474	L	98	Very high	97.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-83.7	-14.1	-171.4	-69.4	167.2	0	0	0	114.3	M435 L438 K440 F441 I444 I471 P472 L583	M435-L474 HydrophobicContact CB-CD1 4.35Å; M435-L474 HydrophobicContact CB-CD2 3.96Å; M435-L474 HydrophobicContact CB-CG 4.23Å; M435-L474 HydrophobicContact SD-CD1 3.87Å; L438-L474 HydrophobicContact CB-CD2 4.37Å; L438-L474 HydrophobicContact CD1-CD2 4.38Å; K440-L474 VanDerWaalsContact CA-O 3.26Å; K440-L474 WeakPolarHBondContact CA-O 3.35Å; F441-L474 HydrophobicContact CD2-CD2 4.15Å; F441-L474 HydrophobicContact CE2-CD2 3.97Å; F441-L474 PolarHBondContact N-O 3.23Å; I444-L474 HydrophobicContact CD1-CB 3.62Å; I444-L474 HydrophobicContact CD1-CD1 4.17Å; I471-L474 HydrophobicContact CD1-CD1 4.44Å; I471-L474 WeakPolarHBondContact O-CB 3.35Å; I471-L474 PolarHBondContact O-N 3.01Å; P472-L474 PolarHBondContact O-N 2.66Å; L474-L583 HydrophobicContact CD1-CD2 3.55Å; L474-L583 HydrophobicContact CD2-CD2 3.81Å; L474-L583 HydrophobicContact CG-CD2 4.19Å
475	Q	97.2	Very high	97.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.			trans	-156.6	130.3	-169.9	-167.5	176.6	-48	0	0	113	F441 I444 G478 Y479 Y501 K540	F441-Q475 WeakPolarHBondContact O-CG 3.32Å; I444-Q475 HydrophobicContact CD1-CB 4.1Å; Q475-G478 PolarHBondContact NE2-O 2.88Å; Q475-G478 VanDerWaalsContact NE2-O 3.12Å; Q475-Y479 VanDerWaalsContact NE2-N 3.11Å; Q475-Y479 PolarHBondContact OE1-O 3.01Å; Q475-Y501 VanDerWaalsContact NE2-CE1 3.34Å; Q475-Y501 PolarHBondContact OE1-OH 3.1Å; Q475-K540 WeakPolarHBondContact O-CD 3.36Å; Q475-K540 VanDerWaalsContact O-CE 3.31Å; Q475-K540 WeakPolarHBondContact O-CE 3.43Å; Q475-K540 PolarHBondContact O-NZ 2.78Å
476	D	96.8	Very high	96.8	Very high	89 Å²	89	33 Å²	33	48%	0.476	17%	0.171	S	C	.	.	S	Bend	trans	-100.7	-47.5	173.4	-55.2	-35.7	0	0	0	110.3	K440	K440-D476 WeakPolarHBondContact CE-OD1 3.12Å; K440-D476 WeakPolarHBondContact CE-OD2 3.46Å; K440-D476 IonicContact NZ-OD1 2.71Å; K440-D476 PolarHBondContact NZ-OD1 3.31Å; K440-D476 IonicContact NZ-OD2 2.71Å; K440-D476 PolarHBondContact NZ-OD2 3.34Å
477	D	97.4	Very high	96.4	Very high	87 Å²	87	37 Å²	37	47%	0.465	19%	0.186	S	C	.	.	S	Bend	trans	-130.1	130.1	173.4	-58.7	-82.3	0	0	0	110.3	K540 G541 N542	D477-K540 CarbonylContact C-O 3.49Å; D477-K540 VanDerWaalsContact CA-O 3.29Å; D477-K540 WeakPolarHBondContact CA-O 3.42Å; D477-G541 VanDerWaalsContact OD1-CA 3.31Å; D477-G541 WeakPolarHBondContact OD1-CA 3.23Å; D477-N542 PolarHBondContact OD1-N 3.2Å
478	G	97.9	Very high	96.3	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.6	-160.8	178.1	0	0	0	0	0	114.9	A442 Q475 K540	A442-G478 CarbonylContact O-C 3.53Å; A442-G478 WeakPolarHBondContact O-CA 3.48Å; Q475-G478 PolarHBondContact NE2-O 2.88Å; Q475-G478 VanDerWaalsContact NE2-O 3.12Å; G478-K540 PolarHBondContact N-O 3.49Å; G478-K540 PolarHBondContact O-N 3.2Å
479	Y	98.6	Very high	96.2	Very high	23 Å²	23	27.6 Å²	27.6	9%	0.09	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	149.5	177.7	-68.9	-85.9	0	0	0	113	A442 V443 I444 Q475 V504 V537 G538 V539 P543 V546 L576	A442-Y479 PolarHBondContact O-N 2.75Å; V443-Y479 CarbonylContact C-O 3.51Å; V443-Y479 VanDerWaalsContact CA-O 3.28Å; V443-Y479 WeakPolarHBondContact CA-O 3.42Å; I444-Y479 PolarHBondContact N-O 3.06Å; Q475-Y479 VanDerWaalsContact NE2-N 3.11Å; Q475-Y479 PolarHBondContact OE1-O 3.01Å; Y479-V504 HydrophobicContact CE1-CG2 4.3Å; Y479-V537 HydrophobicContact CD1-CG1 4.27Å; Y479-G538 CarbonylContact C-O 3.5Å; Y479-G538 VanDerWaalsContact CA-O 3.27Å; Y479-G538 WeakPolarHBondContact CA-O 3.43Å; Y479-V539 HydrophobicContact CD1-CB 4.05Å; Y479-V539 HydrophobicContact CD1-CG2 4.06Å; Y479-V539 HydrophobicContact CE1-CB 3.77Å; Y479-V539 HydrophobicContact CE1-CG2 3.59Å; Y479-V539 HydrophobicContact CE2-CG2 4.48Å; Y479-P543 HydrophobicContact CD2-CB 4.49Å; Y479-P543 HydrophobicContact CD2-CG 4.09Å; Y479-P543 HydrophobicContact CE2-CB 4.07Å; Y479-P543 HydrophobicContact CE2-CG 3.45Å; Y479-P543 VanDerWaalsContact CE2-CG 3.45Å; Y479-V546 HydrophobicContact CD2-CG1 4.45Å; Y479-V546 HydrophobicContact CE2-CB 4.21Å; Y479-V546 HydrophobicContact CE2-CG1 3.92Å; Y479-V546 HydrophobicContact CE2-CG2 4.16Å; Y479-L576 HydrophobicContact CD2-CD2 4.27Å; Y479-L576 HydrophobicContact CG-CD2 4.25Å
480	I	98.8	Very high	96.2	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.9	168	-171	168.6	0	0	0	110.4	I444 I471 L496 W499 Y501 V537 G538	I444-I480 HydrophobicContact CB-CB 4.48Å; I444-I480 HydrophobicContact CB-CD1 4.47Å; I444-I480 HydrophobicContact CB-CG1 4.1Å; I444-I480 HydrophobicContact CG2-CD1 4.21Å; I444-I480 HydrophobicContact CG2-CG1 4.17Å; I444-I480 CarbonylContact O-C 3.57Å; I444-I480 VanDerWaalsContact O-CA 3.24Å; I444-I480 WeakPolarHBondContact O-CA 3.46Å; I471-I480 HydrophobicContact CG2-CD1 4.02Å; I480-L496 HydrophobicContact CG2-CD2 3.42Å; I480-L496 VanDerWaalsContact CG2-CD2 3.42Å; I480-W499 HydrophobicContact CD1-CE3 4.32Å; I480-W499 HydrophobicContact CD1-CZ3 4.32Å; I480-Y501 HydrophobicContact CB-CD1 4.03Å; I480-Y501 HydrophobicContact CB-CE1 3.59Å; I480-Y501 HydrophobicContact CD1-CE2 4.31Å; I480-Y501 HydrophobicContact CG2-CD1 3.28Å; I480-Y501 HydrophobicContact CG2-CD2 4.1Å; I480-Y501 HydrophobicContact CG2-CE1 3.4Å; I480-Y501 HydrophobicContact CG2-CE2 4.22Å; I480-Y501 HydrophobicContact CG2-CG 3.66Å; I480-V537 WeakPolarHBondContact O-CA 3.25Å; I480-G538 PolarHBondContact N-O 3.05Å; I480-G538 PolarHBondContact O-N 3.31Å
481	F	98.8	Very high	96.3	Very high	5 Å²	5	29.6 Å²	29.6	2%	0.022	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	110.8	173	-74.3	-103.4	0	0	0	108	V443 I444 M445 A446 V507 V537 I569 I573 L576	V443-F481 HydrophobicContact CG1-CD2 3.73Å; V443-F481 HydrophobicContact CG1-CE2 3.9Å; I444-F481 PolarHBondContact O-N 3.08Å; M445-F481 CarbonylContact C-O 3.54Å; M445-F481 VanDerWaalsContact CA-O 3.32Å; M445-F481 WeakPolarHBondContact CA-O 3.2Å; M445-F481 HydrophobicContact CB-CB 4.41Å; M445-F481 HydrophobicContact CG-CB 4.07Å; A446-F481 PolarHBondContact N-O 3.09Å; F481-V507 HydrophobicContact CE1-CG2 4.38Å; F481-V537 HydrophobicContact CD1-CG2 3.88Å; F481-V537 HydrophobicContact CE1-CG1 4.27Å; F481-V537 HydrophobicContact CE1-CG2 3.7Å; F481-V537 HydrophobicContact CE2-CG1 4.3Å; F481-V537 HydrophobicContact CZ-CG1 4.06Å; F481-V537 HydrophobicContact CZ-CG2 4.32Å; F481-I569 HydrophobicContact CD1-CD1 4.04Å; F481-I569 HydrophobicContact CE1-CD1 4.36Å; F481-I573 HydrophobicContact CB-CD1 4.19Å; F481-I573 HydrophobicContact CD1-CD1 4.21Å; F481-I573 HydrophobicContact CD1-CG1 4.23Å; F481-I573 HydrophobicContact CD2-CD1 3.85Å; F481-I573 HydrophobicContact CD2-CG1 3.88Å; F481-I573 HydrophobicContact CE1-CG1 4.12Å; F481-I573 HydrophobicContact CE2-CD1 4.28Å; F481-I573 HydrophobicContact CE2-CG1 3.78Å; F481-I573 HydrophobicContact CG-CD1 3.82Å; F481-I573 HydrophobicContact CG-CG1 4.11Å; F481-I573 HydrophobicContact CZ-CG1 3.9Å; F481-L576 HydrophobicContact CE2-CD2 3.89Å; F481-L576 HydrophobicContact CZ-CD2 3.76Å
482	L	98.8	Very high	96.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	106.6	-174.2	-179.7	65.6	0	0	0	110.3	A446 P448 W450 V484 L496 W499 C535 L536	A446-L482 HydrophobicContact CB-CD1 3.86Å; P448-L482 HydrophobicContact CG-CD1 3.78Å; W450-L482 HydrophobicContact CZ2-CD1 4.08Å; W450-L482 HydrophobicContact CZ2-CD2 4.33Å; W450-L482 HydrophobicContact CZ2-CG 4.3Å; L482-V484 HydrophobicContact CD2-CG1 4.2Å; L482-V484 HydrophobicContact CG-CG1 4.02Å; L482-V484 PolarHBondContact O-N 3.27Å; L482-L496 HydrophobicContact CB-CD2 4.47Å; L482-L496 HydrophobicContact CD2-CD2 4.2Å; L482-L496 HydrophobicContact CD2-CG 4.27Å; L482-W499 HydrophobicContact CD1-CZ3 4.41Å; L482-W499 HydrophobicContact CD2-CZ3 4.06Å; L482-C535 CarbonylContact O-C 3.59Å; L482-C535 WeakPolarHBondContact O-CA 3.43Å; L482-L536 PolarHBondContact N-O 2.92Å; L482-L536 PolarHBondContact O-N 2.86Å
483	W	98.5	Very high	96.3	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	131	171.3	-69.4	101.8	0	0	0	110.4	A446 D447 W450 W509 E533 H534 C535 K565 P566 I569	A446-W483 PolarHBondContact O-N 3.02Å; D447-W483 HydrophobicContact CB-CB 4.23Å; D447-W483 HydrophobicContact CB-CG 4.4Å; D447-W483 WeakPolarHBondContact OD1-CB 3.46Å; W450-W483 PolarHBondContact NE1-O 3.46Å; W483-W509 HydrophobicContact CH2-CB 3.98Å; W483-W509 HydrophobicContact CZ3-CB 3.88Å; W483-E533 HydrophobicContact CZ3-CB 4.43Å; W483-H534 WeakPolarHBondContact CA-O 3.31Å; W483-C535 HydrophobicContact CD2-CB 3.71Å; W483-C535 HydrophobicContact CE3-CB 3.56Å; W483-C535 HydrophobicContact CG-CB 4.39Å; W483-C535 HydrophobicContact CH2-CB 3.89Å; W483-C535 HydrophobicContact CZ2-CB 4.04Å; W483-C535 HydrophobicContact CZ3-CB 3.65Å; W483-K565 HydrophobicContact CD2-CD 3.97Å; W483-K565 HydrophobicContact CD2-CG 4.25Å; W483-K565 HydrophobicContact CE3-CD 4.08Å; W483-K565 HydrophobicContact CG-CD 4.29Å; W483-K565 HydrophobicContact CG-CG 4.33Å; W483-K565 HydrophobicContact CZ2-CB 4.49Å; W483-P566 HydrophobicContact CH2-CG 3.94Å; W483-P566 HydrophobicContact CZ2-CG 4.13Å; W483-I569 HydrophobicContact CZ2-CB 4.23Å; W483-I569 HydrophobicContact CZ2-CD1 4.23Å; W483-I569 HydrophobicContact CZ2-CG1 4.03Å
484	V	96.8	Very high	96.3	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.018	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144.8	179.3	-60.8	0	0	0	0	111	W450 L482 M489 H534 L536	W450-V484 HydrophobicContact CZ2-CG1 3.9Å; L482-V484 HydrophobicContact CD2-CG1 4.2Å; L482-V484 HydrophobicContact CG-CG1 4.02Å; L482-V484 PolarHBondContact O-N 3.27Å; V484-M489 HydrophobicContact CG2-CG 4.04Å; V484-H534 HydrophobicContact CG2-CB 3.68Å; V484-H534 PolarHBondContact N-O 3.44Å; V484-L536 HydrophobicContact CG1-CD1 3.93Å; V484-L536 HydrophobicContact CG1-CG 4.24Å; V484-L536 HydrophobicContact CG2-CD1 4.24Å; V484-L536 HydrophobicContact CG2-CD2 4.47Å; V484-L536 HydrophobicContact CG2-CG 3.99Å
485	T	91.1	Very high	96.4	Very high	43 Å²	43	31.8 Å²	31.8	26%	0.264	16%	0.161	S	C	.	.			trans	-79.7	166.2	168.3	67.3	0	0	0	0	110.1	W450 I452 R487 A488 M489	W450-T485 HydrophobicContact CB-CG2 4.43Å; I452-T485 HydrophobicContact CG2-CG2 4.15Å; T485-R487 PolarHBondContact O-N 2.94Å; T485-A488 PolarHBondContact O-N 3.43Å; T485-A488 VanDerWaalsContact O-N 3.08Å; T485-A488 WeakPolarHBondContact OG1-CB 3.28Å; T485-A488 PolarHBondContact OG1-N 3.37Å; T485-M489 VanDerWaalsContact O-CG 3.3Å; T485-M489 WeakPolarHBondContact O-CG 3.42Å; T485-M489 PolarHBondContact O-N 3.18Å
486	G	88.7	Confident	96.4	Very high	35 Å²	35	31.8 Å²	31.8	36%	0.361	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-35.4	174.8	0	0	0	0	0	113.3
487	R	89.2	Confident	96.5	Very high	83 Å²	83	35.4 Å²	35.4	31%	0.313	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-44.6	174.6	-171.8	-156.6	72.3	89.6	-4.7	111.6	D451 D463 T485 M489	D451-R487 PolarHBondContact O-NE 2.98Å; D451-R487 PolarHBondContact O-NH2 2.84Å; D463-R487 IonicContact OD1-CZ 2.83Å; D463-R487 IonicContact OD1-NH1 3.55Å; D463-R487 PolarHBondContact OD1-NH1 2.96Å; D463-R487 IonicContact OD1-NH2 3.97Å; D463-R487 PolarHBondContact OD1-NH2 3.21Å; D463-R487 IonicContact OD2-CZ 3.43Å; D463-R487 IonicContact OD2-NH1 2.82Å; D463-R487 PolarHBondContact OD2-NH1 3.11Å; D463-R487 IonicContact OD2-NH2 3.64Å; T485-R487 PolarHBondContact O-N 2.94Å; R487-M489 VanDerWaalsContact C-N 3.3Å; R487-M489 PolarHBondContact O-N 2.7Å
488	A	94	Very high	96.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	8.5	-170.2	0	0	0	0	0	113.9	W450 T485 L491 G492	W450-A488 HydrophobicContact CB-CB 4.24Å; W450-A488 HydrophobicContact CD2-CB 3.53Å; W450-A488 HydrophobicContact CE3-CB 3.69Å; W450-A488 HydrophobicContact CG-CB 3.78Å; W450-A488 HydrophobicContact CZ3-CB 4.26Å; T485-A488 PolarHBondContact O-N 3.43Å; T485-A488 VanDerWaalsContact O-N 3.08Å; T485-A488 WeakPolarHBondContact OG1-CB 3.28Å; T485-A488 PolarHBondContact OG1-N 3.37Å; A488-L491 PolarHBondContact O-N 3.3Å; A488-G492 PolarHBondContact O-N 3.2Å
489	M	94.4	Very high	96.6	Very high	45 Å²	45	36.3 Å²	36.3	22%	0.222	17%	0.171	C	C	.	.	H	α-helix	trans	-59.7	-51.7	-177.1	-66.6	-169.2	-59.5	0	0	112.5	V484 T485 R487 G492 R493	V484-M489 HydrophobicContact CG2-CG 4.04Å; T485-M489 VanDerWaalsContact O-CG 3.3Å; T485-M489 WeakPolarHBondContact O-CG 3.42Å; T485-M489 PolarHBondContact O-N 3.18Å; R487-M489 VanDerWaalsContact C-N 3.3Å; R487-M489 PolarHBondContact O-N 2.7Å; M489-G492 PolarHBondContact O-N 3.1Å; M489-R493 WeakPolarHBondContact O-CG 3.32Å; M489-R493 PolarHBondContact O-N 3.36Å
490	E	96.5	Very high	96.6	Very high	121 Å²	121	37.2 Å²	37.2	57%	0.565	19%	0.188	S	C	*	.	H	α-helix	trans	-69.7	-38.3	-178.6	-55.9	-45.7	143.3	0	0	111.9	G492 R493 E494	E490-G492 VanDerWaalsContact C-N 3.33Å; E490-G492 PolarHBondContact O-N 2.76Å; E490-R493 PolarHBondContact O-N 3.28Å; E490-R493 IonicContact OE1-CZ 3.28Å; E490-R493 IonicContact OE1-NH1 2.68Å; E490-R493 PolarHBondContact OE1-NH1 3.01Å; E490-R493 IonicContact OE2-NH1 3.75Å; E490-R493 PolarHBondContact OE2-NH1 3.35Å; E490-E494 WeakPolarHBondContact O-CB 3.35Å; E490-E494 PolarHBondContact O-N 2.93Å
491	L	97.1	Very high	96.6	Very high	12 Å²	12	37.6 Å²	37.6	6%	0.063	19%	0.189	C	C	.	.	H	α-helix	trans	-60.9	-41.6	172.6	178.2	65.8	0	0	0	111.7	W450 D463 R467 A488 E494 C495	W450-L491 HydrophobicContact CE3-CD2 3.91Å; W450-L491 HydrophobicContact CZ3-CD2 3.57Å; W450-L491 HydrophobicContact CZ3-CG 3.96Å; D463-L491 HydrophobicContact CB-CD1 4.2Å; D463-L491 HydrophobicContact CB-CD2 3.78Å; D463-L491 WeakPolarHBondContact OD1-CD2 3.3Å; R467-L491 HydrophobicContact CG-CD1 4.47Å; A488-L491 PolarHBondContact O-N 3.3Å; L491-E494 WeakPolarHBondContact O-CB 3.21Å; L491-E494 PolarHBondContact O-N 2.98Å; L491-C495 WeakPolarHBondContact O-CB 3.42Å; L491-C495 PolarHBondContact O-N 2.81Å; L491-C495 PolarHBondContact O-SG 3.37Å
492	G	98.2	Very high	96.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.3	-42.3	176.9	0	0	0	0	0	111.9	A488 M489 E490 E494 C495 L496	A488-G492 PolarHBondContact O-N 3.2Å; M489-G492 PolarHBondContact O-N 3.1Å; E490-G492 VanDerWaalsContact C-N 3.33Å; E490-G492 PolarHBondContact O-N 2.76Å; G492-E494 VanDerWaalsContact C-N 3.32Å; G492-E494 PolarHBondContact O-N 3.16Å; G492-C495 PolarHBondContact O-N 2.85Å; G492-L496 WeakPolarHBondContact O-CG 3.48Å; G492-L496 PolarHBondContact O-N 2.84Å
493	R	98.5	Very high	96.5	Very high	59 Å²	59	49.1 Å²	49.1	22%	0.223	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-38.3	173.4	-68.2	-176.5	-173.2	104	4.5	112.1	M489 E490 R497 E506 L536	M489-R493 WeakPolarHBondContact O-CG 3.32Å; M489-R493 PolarHBondContact O-N 3.36Å; E490-R493 PolarHBondContact O-N 3.28Å; E490-R493 IonicContact OE1-CZ 3.28Å; E490-R493 IonicContact OE1-NH1 2.68Å; E490-R493 PolarHBondContact OE1-NH1 3.01Å; E490-R493 IonicContact OE2-NH1 3.75Å; E490-R493 PolarHBondContact OE2-NH1 3.35Å; R493-R497 PolarHBondContact O-N 3.46Å; R493-E506 IonicContact NH2-OE2 3.63Å; R493-L536 HydrophobicContact CG-CD1 3.79Å
494	E	98.3	Very high	96.5	Very high	59 Å²	59	52.1 Å²	52.1	28%	0.276	26%	0.257	S	S	.	.	H	α-helix	trans	-62.2	-48.6	172.9	-169.9	-164	159.4	0	0	111.5	R467 E490 L491 G492 L496 R497 L498	R467-E494 IonicContact CZ-OE1 3.18Å; R467-E494 IonicContact CZ-OE2 2.95Å; R467-E494 IonicContact NE-OE1 2.78Å; R467-E494 PolarHBondContact NE-OE1 2.91Å; R467-E494 IonicContact NE-OE2 3.42Å; R467-E494 PolarHBondContact NE-OE2 2.79Å; R467-E494 IonicContact NH2-OE1 2.83Å; R467-E494 IonicContact NH2-OE2 2.72Å; R467-E494 PolarHBondContact NH2-OE2 2.8Å; E490-E494 WeakPolarHBondContact O-CB 3.35Å; E490-E494 PolarHBondContact O-N 2.93Å; L491-E494 WeakPolarHBondContact O-CB 3.21Å; L491-E494 PolarHBondContact O-N 2.98Å; G492-E494 VanDerWaalsContact C-N 3.32Å; G492-E494 PolarHBondContact O-N 3.16Å; E494-L496 PolarHBondContact O-N 3.12Å; E494-R497 WeakPolarHBondContact O-CB 3.35Å; E494-R497 PolarHBondContact O-N 3.08Å; E494-R497 VanDerWaalsContact O-N 3.14Å; E494-L498 HydrophobicContact CG-CD1 4.12Å; E494-L498 HydrophobicContact CG-CG 4.47Å; E494-L498 WeakPolarHBondContact O-CG 3.15Å; E494-L498 PolarHBondContact O-N 2.77Å
495	C	98.5	Very high	96.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58	-45.5	178.1	-69.4	0	0	0	0	111.7	L491 G492 R497 L498 W499	L491-C495 WeakPolarHBondContact O-CB 3.42Å; L491-C495 PolarHBondContact O-N 2.81Å; L491-C495 PolarHBondContact O-SG 3.37Å; G492-C495 PolarHBondContact O-N 2.85Å; C495-R497 VanDerWaalsContact C-N 3.3Å; C495-R497 PolarHBondContact O-N 2.93Å; C495-L498 PolarHBondContact O-N 3.34Å; C495-W499 HydrophobicContact CB-CD2 4.16Å; C495-W499 HydrophobicContact CB-CE3 4.09Å; C495-W499 HydrophobicContact CB-CH2 3.65Å; C495-W499 HydrophobicContact CB-CZ2 3.71Å; C495-W499 HydrophobicContact CB-CZ3 3.84Å; C495-W499 WeakPolarHBondContact O-CB 3.31Å; C495-W499 PolarHBondContact O-N 2.87Å
496	L	98.7	Very high	96.8	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-53.7	-48.3	175.4	-71.2	-179.4	0	0	0	111.4	I480 L482 G492 E494 W499 G500 Y501 R503 L536	I480-L496 HydrophobicContact CG2-CD2 3.42Å; I480-L496 VanDerWaalsContact CG2-CD2 3.42Å; L482-L496 HydrophobicContact CB-CD2 4.47Å; L482-L496 HydrophobicContact CD2-CD2 4.2Å; L482-L496 HydrophobicContact CD2-CG 4.27Å; G492-L496 WeakPolarHBondContact O-CG 3.48Å; G492-L496 PolarHBondContact O-N 2.84Å; E494-L496 PolarHBondContact O-N 3.12Å; L496-W499 PolarHBondContact O-N 2.96Å; L496-G500 PolarHBondContact O-N 3.42Å; L496-Y501 CarbonylContact C-O 3.55Å; L496-Y501 HydrophobicContact CD2-CG 4.44Å; L496-Y501 WeakPolarHBondContact O-CA 3.34Å; L496-Y501 WeakPolarHBondContact O-CB 3.22Å; L496-Y501 PolarHBondContact O-N 3.11Å; L496-R503 HydrophobicContact CD1-CB 4.23Å; L496-R503 HydrophobicContact CD1-CG 4.29Å; L496-L536 HydrophobicContact CD1-CB 3.86Å; L496-L536 HydrophobicContact CD1-CD1 4.23Å
497	R	98.3	Very high	97.3	Very high	165 Å²	165	54.5 Å²	54.5	62%	0.623	26%	0.259	S	S	*	.	H	α-helix	trans	-63	-46.3	178.9	-165.7	-169.1	-46.4	101.3	4.8	112	R493 E494 C495 W499 G500	R493-R497 PolarHBondContact O-N 3.46Å; E494-R497 WeakPolarHBondContact O-CB 3.35Å; E494-R497 PolarHBondContact O-N 3.08Å; E494-R497 VanDerWaalsContact O-N 3.14Å; C495-R497 VanDerWaalsContact C-N 3.3Å; C495-R497 PolarHBondContact O-N 2.93Å; R497-W499 PolarHBondContact O-N 2.83Å; R497-G500 PolarHBondContact O-N 3.29Å; R497-G500 VanDerWaalsContact O-N 3.08Å
498	L	98.1	Very high	97.7	Very high	97 Å²	97	52 Å²	52	51%	0.508	25%	0.251	S	S	.	.	H	α-helix	trans	-59.7	-37.8	177.6	-71.9	172.5	0	0	0	111.6	R467 E494 C495 G500	R467-L498 HydrophobicContact CB-CD1 4.16Å; R467-L498 HydrophobicContact CG-CD1 3.84Å; E494-L498 HydrophobicContact CG-CD1 4.12Å; E494-L498 HydrophobicContact CG-CG 4.47Å; E494-L498 WeakPolarHBondContact O-CG 3.15Å; E494-L498 PolarHBondContact O-N 2.77Å; C495-L498 PolarHBondContact O-N 3.34Å; L498-G500 PolarHBondContact O-N 2.92Å
499	W	98.5	Very high	97.8	Very high	9 Å²	9	52.2 Å²	52.2	3%	0.034	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	0.2	179	-56.7	-29.5	0	0	0	114	M466 L469 I471 P472 I480 L482 C495 L496 R497 Y501 K540	M466-W499 HydrophobicContact CE-CH2 4.16Å; M466-W499 HydrophobicContact CE-CZ2 4.49Å; M466-W499 VanDerWaalsContact O-CZ2 3.32Å; M466-W499 WeakPolarHBondContact O-CZ2 3.47Å; L469-W499 HydrophobicContact CB-CZ2 4.27Å; L469-W499 HydrophobicContact CD1-CZ2 4.38Å; L469-W499 PolarHBondContact O-NE1 3.34Å; I471-W499 HydrophobicContact CB-CB 4.25Å; I471-W499 HydrophobicContact CB-CD2 3.86Å; I471-W499 HydrophobicContact CB-CE3 4.23Å; I471-W499 HydrophobicContact CB-CG 3.87Å; I471-W499 HydrophobicContact CG1-CD2 3.77Å; I471-W499 HydrophobicContact CG1-CE3 4.04Å; I471-W499 HydrophobicContact CG1-CG 4.25Å; I471-W499 HydrophobicContact CG1-CH2 4.19Å; I471-W499 HydrophobicContact CG1-CZ2 3.92Å; I471-W499 HydrophobicContact CG1-CZ3 4.24Å; I471-W499 HydrophobicContact CG2-CB 4.45Å; I471-W499 HydrophobicContact CG2-CD2 4.32Å; I471-W499 HydrophobicContact CG2-CE3 4.24Å; I471-W499 HydrophobicContact CG2-CG 4.44Å; P472-W499 HydrophobicContact CG-CB 4.18Å; I480-W499 HydrophobicContact CD1-CE3 4.32Å; I480-W499 HydrophobicContact CD1-CZ3 4.32Å; L482-W499 HydrophobicContact CD1-CZ3 4.41Å; L482-W499 HydrophobicContact CD2-CZ3 4.06Å; C495-W499 HydrophobicContact CB-CD2 4.16Å; C495-W499 HydrophobicContact CB-CE3 4.09Å; C495-W499 HydrophobicContact CB-CH2 3.65Å; C495-W499 HydrophobicContact CB-CZ2 3.71Å; C495-W499 HydrophobicContact CB-CZ3 3.84Å; C495-W499 WeakPolarHBondContact O-CB 3.31Å; C495-W499 PolarHBondContact O-N 2.87Å; L496-W499 PolarHBondContact O-N 2.96Å; R497-W499 PolarHBondContact O-N 2.83Å; W499-Y501 HydrophobicContact CB-CD2 3.75Å; W499-Y501 HydrophobicContact CB-CE2 3.86Å; W499-K540 PolarHBondContact O-NZ 2.71Å
500	G	98.3	Very high	97.9	Very high	43 Å²	43	51.5 Å²	51.5	44%	0.443	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	21.8	176.5	0	0	0	0	0	114.8	L496 R497 L498 K540	L496-G500 PolarHBondContact O-N 3.42Å; R497-G500 PolarHBondContact O-N 3.29Å; R497-G500 VanDerWaalsContact O-N 3.08Å; L498-G500 PolarHBondContact O-N 2.92Å; G500-K540 WeakPolarHBondContact O-CG 3.32Å
501	Y	98.7	Very high	97.7	Very high	9 Å²	9	46.3 Å²	46.3	4%	0.035	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-99.8	140.8	175.9	-63.4	-96.6	0	0	0	111.7	I471 Q475 I480 L496 W499 V539 K540	I471-Y501 HydrophobicContact CG2-CE2 4.02Å; Q475-Y501 VanDerWaalsContact NE2-CE1 3.34Å; Q475-Y501 PolarHBondContact OE1-OH 3.1Å; I480-Y501 HydrophobicContact CB-CD1 4.03Å; I480-Y501 HydrophobicContact CB-CE1 3.59Å; I480-Y501 HydrophobicContact CD1-CE2 4.31Å; I480-Y501 HydrophobicContact CG2-CD1 3.28Å; I480-Y501 HydrophobicContact CG2-CD2 4.1Å; I480-Y501 HydrophobicContact CG2-CE1 3.4Å; I480-Y501 HydrophobicContact CG2-CE2 4.22Å; I480-Y501 HydrophobicContact CG2-CG 3.66Å; L496-Y501 CarbonylContact C-O 3.55Å; L496-Y501 HydrophobicContact CD2-CG 4.44Å; L496-Y501 WeakPolarHBondContact O-CA 3.34Å; L496-Y501 WeakPolarHBondContact O-CB 3.22Å; L496-Y501 PolarHBondContact O-N 3.11Å; W499-Y501 HydrophobicContact CB-CD2 3.75Å; W499-Y501 HydrophobicContact CB-CE2 3.86Å; Y501-V539 CarbonylContact C-O 3.56Å; Y501-V539 VanDerWaalsContact CA-O 3.3Å; Y501-V539 WeakPolarHBondContact CA-O 3.41Å; Y501-K540 HydrophobicContact CD1-CB 3.54Å; Y501-K540 HydrophobicContact CE1-CB 3.62Å; Y501-K540 HydrophobicContact CE1-CD 4.28Å; Y501-K540 HydrophobicContact CE2-CD 4.23Å; Y501-K540 HydrophobicContact CG-CB 4.17Å
502	E	98.4	Very high	97.6	Very high	136 Å²	136	45.9 Å²	45.9	64%	0.636	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	127.7	163	-177.6	-174.8	170.4	0	0	108.9	V504 G538 V539	E502-V504 PolarHBondContact O-N 3.39Å; E502-G538 CarbonylContact O-C 3.46Å; E502-G538 VanDerWaalsContact O-CA 3.27Å; E502-G538 WeakPolarHBondContact O-CA 3.23Å; E502-V539 HydrophobicContact CB-CG1 4.11Å; E502-V539 PolarHBondContact N-O 3.23Å; E502-V539 PolarHBondContact O-N 2.93Å
503	R	98.2	Very high	97.2	Very high	111 Å²	111	48.7 Å²	48.7	42%	0.419	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	117	174.5	-172.6	-148.1	69	83.9	2.4	109.6	L496 D505	L496-R503 HydrophobicContact CD1-CB 4.23Å; L496-R503 HydrophobicContact CD1-CG 4.29Å; R503-D505 PolarHBondContact NH1-O 2.83Å
504	V	97.5	Very high	96.8	Very high	63 Å²	63	53.9 Å²	53.9	38%	0.382	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-28.3	-178.4	-70.5	0	0	0	0	113.6	Y479 E502 V537 V539	Y479-V504 HydrophobicContact CE1-CG2 4.3Å; E502-V504 PolarHBondContact O-N 3.39Å; V504-V537 HydrophobicContact CG2-CB 4.38Å; V504-V537 HydrophobicContact CG2-CG1 3.98Å; V504-V537 WeakPolarHBondContact CG2-O 3.31Å; V504-V537 PolarHBondContact N-O 3.08Å; V504-V539 HydrophobicContact CG1-CB 3.91Å; V504-V539 HydrophobicContact CG1-CG1 3.35Å; V504-V539 HydrophobicContact CG2-CB 4.21Å
505	D	97.4	Very high	96.4	Very high	82 Å²	82	56.9 Å²	56.9	44%	0.439	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	178.7	-175	-138.4	-31.4	0	0	0	112.6	R503 V537	R503-D505 PolarHBondContact NH1-O 2.83Å; D505-V537 HydrophobicContact CB-CB 3.81Å; D505-V537 HydrophobicContact CB-CG1 4.45Å; D505-V537 HydrophobicContact CB-CG2 4.07Å; D505-V537 PolarHBondContact N-O 3.37Å; D505-V537 PolarHBondContact O-N 3.36Å
506	E	97.8	Very high	96	Very high	42 Å²	42	62 Å²	62	20%	0.196	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	115.2	177.4	-177.9	175.5	159	0	0	110.7	R493 I508 H534 C535 L536	R493-E506 IonicContact NH2-OE2 3.63Å; E506-I508 HydrophobicContact CG-CD1 3.92Å; E506-I508 VanDerWaalsContact OE1-CD1 3.24Å; E506-I508 WeakPolarHBondContact OE1-CD1 3.49Å; E506-H534 IonicContact OE1-CE1 2.85Å; E506-H534 PolarHBondContact OE1-CE1 3.2Å; E506-H534 IonicContact OE1-CG 3.76Å; E506-H534 IonicContact OE1-ND1 2.92Å; E506-H534 PolarHBondContact OE1-ND1 2.85Å; E506-C535 CarbonylContact C-O 3.59Å; E506-C535 WeakPolarHBondContact CA-O 3.36Å; E506-L536 HydrophobicContact CG-CD2 4.34Å
507	V	98.4	Very high	95.7	Very high	8 Å²	8	70.1 Å²	70.1	5%	0.048	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	129.7	172.7	178.1	0	0	0	0	109.6	F481 C535 V537 D553 I555 I569	F481-V507 HydrophobicContact CE1-CG2 4.38Å; V507-C535 HydrophobicContact CB-CB 4.11Å; V507-C535 PolarHBondContact N-O 3.28Å; V507-C535 PolarHBondContact O-N 3.24Å; V507-V537 HydrophobicContact CG2-CG2 4.03Å; V507-D553 CarbonylContact C-O 3.49Å; V507-D553 VanDerWaalsContact CA-O 3.25Å; V507-D553 WeakPolarHBondContact CA-O 3.28Å; V507-I555 HydrophobicContact CG1-CD1 3.86Å; V507-I555 HydrophobicContact CG1-CG1 4Å; V507-I569 HydrophobicContact CG1-CD1 4.39Å
508	I	97.9	Very high	95.3	Very high	29 Å²	29	67.5 Å²	67.5	15%	0.149	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	123.1	178.2	-59.2	-60.6	0	0	0	110.1	E506 V510 K532 D553 I554 I555	E506-I508 HydrophobicContact CG-CD1 3.92Å; E506-I508 VanDerWaalsContact OE1-CD1 3.24Å; E506-I508 WeakPolarHBondContact OE1-CD1 3.49Å; I508-V510 HydrophobicContact CG2-CG2 4.14Å; I508-K532 HydrophobicContact CG2-CB 3.98Å; I508-K532 HydrophobicContact CG2-CD 3.81Å; I508-K532 HydrophobicContact CG2-CG 4.41Å; I508-D553 PolarHBondContact N-O 2.78Å; I508-I554 WeakPolarHBondContact O-CA 3.46Å; I508-I555 PolarHBondContact O-N 2.95Å
509	W	97	Very high	94.5	Very high	5 Å²	5	64.4 Å²	64.4	2%	0.019	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	111.3	167.3	174.9	32.9	0	0	0	110.5	W483 K511 K532 E533 I555 S557 V559 H564 K565 P566	W483-W509 HydrophobicContact CH2-CB 3.98Å; W483-W509 HydrophobicContact CZ3-CB 3.88Å; W509-K511 HydrophobicContact CD2-CG 4Å; W509-K511 HydrophobicContact CE3-CG 4.34Å; W509-K511 HydrophobicContact CH2-CG 4.34Å; W509-K511 HydrophobicContact CZ2-CG 4Å; W509-K511 HydrophobicContact CZ3-CG 4.5Å; W509-K532 CarbonylContact O-C 3.47Å; W509-K532 WeakPolarHBondContact O-CA 3.42Å; W509-K532 VanDerWaalsContact O-CB 3.26Å; W509-K532 WeakPolarHBondContact O-CB 3.28Å; W509-E533 HydrophobicContact CB-CB 4.43Å; W509-E533 HydrophobicContact CE3-CB 4.01Å; W509-E533 HydrophobicContact CE3-CG 4.32Å; W509-E533 PolarHBondContact N-O 3.32Å; W509-E533 PolarHBondContact O-N 2.8Å; W509-I555 CarbonylContact C-O 3.26Å; W509-I555 WeakPolarHBondContact CA-O 3.28Å; W509-S557 PolarHBondContact NE1-O 3.25Å; W509-S557 PolarHBondContact NE1-OG 3.26Å; W509-V559 HydrophobicContact CH2-CG2 4.43Å; W509-V559 HydrophobicContact CZ2-CG2 4.12Å; W509-H564 WeakPolarHBondContact CH2-O 3.37Å; W509-K565 HydrophobicContact CE3-CD 4.15Å; W509-K565 HydrophobicContact CZ3-CD 3.92Å; W509-P566 HydrophobicContact CB-CG 4.34Å; W509-P566 HydrophobicContact CD2-CG 4.03Å; W509-P566 HydrophobicContact CG-CG 3.91Å
510	V	95.1	Very high	93.4	Very high	31 Å²	31	73.2 Å²	73.2	19%	0.188	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	121.5	171.4	180	0	0	0	0	109.4	I508 L518 I554 I555 V556 S557	I508-V510 HydrophobicContact CG2-CG2 4.14Å; V510-L518 HydrophobicContact CG1-CD2 3.3Å; V510-I554 HydrophobicContact CG2-CG2 4.06Å; V510-I555 PolarHBondContact N-O 3.16Å; V510-V556 HydrophobicContact CB-CG2 4.21Å; V510-S557 PolarHBondContact O-N 2.98Å
511	K	92.7	Very high	91.9	Very high	11 Å²	11	77.2 Å²	77.2	5%	0.048	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	117.3	-174	-70	180	171.9	-174.5	0	111.8	W509 I519 G531 E533 V559	W509-K511 HydrophobicContact CD2-CG 4Å; W509-K511 HydrophobicContact CE3-CG 4.34Å; W509-K511 HydrophobicContact CH2-CG 4.34Å; W509-K511 HydrophobicContact CZ2-CG 4Å; W509-K511 HydrophobicContact CZ3-CG 4.5Å; K511-I519 HydrophobicContact CB-CD1 4.28Å; K511-I519 PolarHBondContact O-N 2.87Å; K511-G531 PolarHBondContact N-O 2.83Å; K511-E533 WeakPolarHBondContact CE-OE1 3.41Å; K511-E533 IonicContact NZ-OE1 3.86Å; K511-E533 PolarHBondContact NZ-OE1 3.39Å; K511-V559 HydrophobicContact CB-CG2 3.58Å; K511-V559 HydrophobicContact CD-CG2 3.86Å; K511-V559 HydrophobicContact CG-CG2 3.7Å
512	T	94.5	Very high	90.2	Very high	4 Å²	4	80.7 Å²	80.7	3%	0.025	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	156.8	173.3	63.6	0	0	0	0	111.7	Q516 R517 V556 S557 E558 V559	T512-Q516 PolarHBondContact OG1-OE1 2.84Å; T512-R517 CarbonylContact C-O 3.59Å; T512-R517 WeakPolarHBondContact CA-O 3.19Å; T512-V556 HydrophobicContact CG2-CG1 3.61Å; T512-S557 PolarHBondContact N-O 3.32Å; T512-S557 VanDerWaalsContact OG1-C 3.25Å; T512-S557 PolarHBondContact OG1-O 2.85Å; T512-E558 WeakPolarHBondContact O-CA 3.48Å; T512-E558 PolarHBondContact OG1-N 2.77Å; T512-V559 PolarHBondContact O-N 2.75Å
513	N	90.9	Very high	88.4	Confident	58 Å²	58	77.5 Å²	77.5	31%	0.31	39%	0.388	S	S	.	.			trans	-87.9	-179.9	165.7	67.7	5.7	0	0	0	110.7	L515 Q516 R517 I519	N513-L515 PolarHBondContact O-N 2.8Å; N513-L515 WeakPolarHBondContact OD1-CA 3.46Å; N513-L515 WeakPolarHBondContact OD1-CB 3.38Å; N513-L515 PolarHBondContact OD1-N 2.85Å; N513-Q516 WeakPolarHBondContact O-CA 3.43Å; N513-Q516 PolarHBondContact O-N 3.45Å; N513-Q516 PolarHBondContact OD1-N 2.93Å; N513-R517 PolarHBondContact N-O 3.26Å; N513-R517 WeakPolarHBondContact OD1-CB 3.35Å; N513-R517 PolarHBondContact OD1-N 3.16Å; N513-R517 PolarHBondContact OD1-O 2.68Å; N513-I519 HydrophobicContact CB-CG1 4.19Å
514	Q	89	Confident	86.8	Confident	168 Å²	168	76.8 Å²	76.8	79%	0.785	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-18.1	175.2	-66.1	177.2	-16	0	0	114.4	Q516	Q514-Q516 VanDerWaalsContact C-N 3.28Å
515	L	90.4	Very high	85.2	Confident	123 Å²	123	74.6 Å²	74.6	64%	0.644	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	11.7	174.1	-58.1	179	0	0	0	112.2	N513 R517	N513-L515 PolarHBondContact O-N 2.8Å; N513-L515 WeakPolarHBondContact OD1-CA 3.46Å; N513-L515 WeakPolarHBondContact OD1-CB 3.38Å; N513-L515 PolarHBondContact OD1-N 2.85Å; L515-R517 HydrophobicContact CB-CG 4.27Å; L515-R517 PolarHBondContact O-N 3.08Å; L515-R517 VanDerWaalsContact O-N 3.09Å
516	Q	90.7	Very high	84	Confident	106 Å²	106	78.5 Å²	78.5	50%	0.495	40%	0.402	S	S	.	.	S	Bend	trans	54.7	26.6	-175.3	-62.5	-63.5	-29.2	0	0	113.4	T512 N513 Q514 E558	T512-Q516 PolarHBondContact OG1-OE1 2.84Å; N513-Q516 WeakPolarHBondContact O-CA 3.43Å; N513-Q516 PolarHBondContact O-N 3.45Å; N513-Q516 PolarHBondContact OD1-N 2.93Å; Q514-Q516 VanDerWaalsContact C-N 3.28Å; Q516-E558 PolarHBondContact NE2-OE1 2.7Å
517	R	91.4	Very high	83.3	Confident	173 Å²	173	87.7 Å²	87.7	65%	0.653	44%	0.435	S	S	*	.			trans	-97.5	145	174.8	-64.8	-176.7	177.7	172.5	-0.8	109.9	T512 N513 L515 I519	T512-R517 CarbonylContact C-O 3.59Å; T512-R517 WeakPolarHBondContact CA-O 3.19Å; N513-R517 PolarHBondContact N-O 3.26Å; N513-R517 WeakPolarHBondContact OD1-CB 3.35Å; N513-R517 PolarHBondContact OD1-N 3.16Å; N513-R517 PolarHBondContact OD1-O 2.68Å; L515-R517 HydrophobicContact CB-CG 4.27Å; L515-R517 PolarHBondContact O-N 3.08Å; L515-R517 VanDerWaalsContact O-N 3.09Å; R517-I519 PolarHBondContact O-N 3.49Å
518	L	89.8	Confident	82.6	Confident	110 Å²	110	94.1 Å²	94.1	58%	0.576	47%	0.468	S	S	*	.	B	Isolated β-bridge	trans	-56.8	131.6	172.3	-66	176.4	0	0	0	110.4	V510 R520	V510-L518 HydrophobicContact CG1-CD2 3.3Å; L518-R520 PolarHBondContact O-N 3.34Å
519	I	83	Confident	81.9	Confident	32 Å²	32	97 Å²	97	16%	0.164	48%	0.484	C	S	.	.			trans	-77	110.9	178.3	-53.1	178.8	0	0	0	109	K511 N513 R517 R523 V559	K511-I519 HydrophobicContact CB-CD1 4.28Å; K511-I519 PolarHBondContact O-N 2.87Å; N513-I519 HydrophobicContact CB-CG1 4.19Å; R517-I519 PolarHBondContact O-N 3.49Å; I519-R523 HydrophobicContact CG2-CG 4.49Å; I519-V559 HydrophobicContact CD1-CB 3.86Å; I519-V559 HydrophobicContact CD1-CG2 3.39Å
520	R	75.1	Confident	81.3	Confident	193 Å²	193	100.9 Å²	100.9	73%	0.728	50%	0.502	S	S	*	.			trans	-108.3	-13.7	-177.6	-60.7	179.5	83.2	174.4	5.4	114.4	L518 N529	L518-R520 PolarHBondContact O-N 3.34Å; R520-N529 PolarHBondContact O-ND2 3.17Å
521	T	66.1	Low	81	Confident	127 Å²	127	100.5 Å²	100.5	78%	0.779	50%	0.504	S	S	*	.	S	Bend	trans	-113.3	142.4	-169.1	-39.4	0	0	0	0	111.3
522	G	62.2	Low	81	Confident	82 Å²	82	104.5 Å²	104.5	85%	0.845	52%	0.522	S	S	*	.	S	Bend	trans	75.7	31.7	170.9	0	0	0	0	0	115.8
523	R	61.4	Low	80.9	Confident	70 Å²	70	106.1 Å²	106.1	26%	0.264	53%	0.529	S	S	.	.			trans	-125.3	133.7	-176.3	-52.4	-172.5	80.9	79.1	8.5	110	I519 G525 N529 H530	I519-R523 HydrophobicContact CG2-CG 4.49Å; R523-G525 PolarHBondContact O-N 2.86Å; R523-N529 PolarHBondContact O-OD1 3.24Å; R523-N529 VanDerWaalsContact O-OD1 3.14Å; R523-H530 VanDerWaalsContact CD-O 3.26Å; R523-H530 WeakPolarHBondContact CD-O 3.47Å; R523-H530 PolarHBondContact NE-O 3.2Å
524	T	64.4	Low	81.2	Confident	96 Å²	96	104.2 Å²	104.2	59%	0.589	52%	0.518	S	S	*	.			trans	-65.7	21.4	-166.5	48.5	0	0	0	0	116.3	M454 H526	M454-T524 HydrophobicContact CE-CG2 3.94Å; M454-T524 HydrophobicContact SD-CG2 4.33Å; T524-H526 PolarHBondContact O-N 3.23Å
525	G	63.9	Low	81.7	Confident	17 Å²	17	96.2 Å²	96.2	18%	0.175	48%	0.481	C	S	.	.			trans	-65.5	126.2	179.6	0	0	0	0	0	111.8	R523 L528 H530	R523-G525 PolarHBondContact O-N 2.86Å; G525-L528 VanDerWaalsContact CA-O 3.26Å; G525-L528 WeakPolarHBondContact CA-O 3.31Å; G525-H530 WeakPolarHBondContact CA-CD2 3.29Å
526	H	72.3	Confident	82.1	Confident	163 Å²	163	90.3 Å²	90.3	76%	0.755	45%	0.45	S	S	*	.	S	Bend	trans	-68.6	-40	179.8	-66.9	-77.8	0	0	0	112.6	T524	T524-H526 PolarHBondContact O-N 3.23Å
527	W	82.7	Confident	82.5	Confident	236 Å²	236	85.7 Å²	85.7	89%	0.894	43%	0.429	S	S	*	.	S	Bend	trans	-113.3	-41.3	179.4	-66.4	-88.5	0	0	0	112.9
528	L	85.1	Confident	82.8	Confident	143 Å²	143	77.4 Å²	77.4	75%	0.749	40%	0.398	S	S	*	.	S	Bend	trans	-134.5	140.5	178.6	-62.8	176	0	0	0	109	G525 H530	G525-L528 VanDerWaalsContact CA-O 3.26Å; G525-L528 WeakPolarHBondContact CA-O 3.31Å; L528-H530 PolarHBondContact O-N 3.19Å
529	N	83.3	Confident	83.2	Confident	88 Å²	88	73.1 Å²	73.1	47%	0.471	38%	0.376	S	S	.	.			trans	-62.3	127.3	176.6	-69	-29.4	0	0	0	110.8	R520 R523 G531	R520-N529 PolarHBondContact O-ND2 3.17Å; R523-N529 PolarHBondContact O-OD1 3.24Å; R523-N529 VanDerWaalsContact O-OD1 3.14Å; N529-G531 PolarHBondContact O-N 3.29Å
530	H	84.2	Confident	84	Confident	87 Å²	87	73.1 Å²	73.1	40%	0.403	38%	0.375	S	S	.	.			trans	-68.7	95.1	179.9	-67.1	-70.9	0	0	0	111.4	R523 G525 L528	R523-H530 VanDerWaalsContact CD-O 3.26Å; R523-H530 WeakPolarHBondContact CD-O 3.47Å; R523-H530 PolarHBondContact NE-O 3.2Å; G525-H530 WeakPolarHBondContact CA-CD2 3.29Å; L528-H530 PolarHBondContact O-N 3.19Å
531	G	89	Confident	85	Confident	23 Å²	23	66.5 Å²	66.5	24%	0.237	37%	0.366	C	S	.	.			trans	-90.1	-0.1	176.1	0	0	0	0	0	114.9	K511 N529	K511-G531 PolarHBondContact N-O 2.83Å; N529-G531 PolarHBondContact O-N 3.29Å
532	K	91.3	Very high	86.4	Confident	95 Å²	95	65.2 Å²	65.2	41%	0.413	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	159.9	-176.7	64.6	-177	174.4	74.2	0	113.3	I508 W509 H534	I508-K532 HydrophobicContact CG2-CB 3.98Å; I508-K532 HydrophobicContact CG2-CD 3.81Å; I508-K532 HydrophobicContact CG2-CG 4.41Å; W509-K532 CarbonylContact O-C 3.47Å; W509-K532 WeakPolarHBondContact O-CA 3.42Å; W509-K532 VanDerWaalsContact O-CB 3.26Å; W509-K532 WeakPolarHBondContact O-CB 3.28Å; K532-H534 PolarHBondContact NZ-CE1 2.81Å; K532-H534 PolarHBondContact NZ-NE2 2.87Å
533	E	93.7	Very high	87.9	Confident	38 Å²	38	62.3 Å²	62.3	18%	0.178	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	163.3	167.7	-77.7	-174.9	-167.7	0	0	111	W483 W509 K511 K565	W483-E533 HydrophobicContact CZ3-CB 4.43Å; W509-E533 HydrophobicContact CB-CB 4.43Å; W509-E533 HydrophobicContact CE3-CB 4.01Å; W509-E533 HydrophobicContact CE3-CG 4.32Å; W509-E533 PolarHBondContact N-O 3.32Å; W509-E533 PolarHBondContact O-N 2.8Å; K511-E533 WeakPolarHBondContact CE-OE1 3.41Å; K511-E533 IonicContact NZ-OE1 3.86Å; K511-E533 PolarHBondContact NZ-OE1 3.39Å; E533-K565 VanDerWaalsContact OE2-CD 3.26Å; E533-K565 WeakPolarHBondContact OE2-CD 3.49Å; E533-K565 WeakPolarHBondContact OE2-CE 3.42Å; E533-K565 IonicContact OE2-NZ 3.78Å
534	H	97.1	Very high	89.2	Confident	18 Å²	18	66.1 Å²	66.1	8%	0.083	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.1	-170	-62.1	-106.9	0	0	0	109.7	W483 V484 E506 K532	W483-H534 WeakPolarHBondContact CA-O 3.31Å; V484-H534 HydrophobicContact CG2-CB 3.68Å; V484-H534 PolarHBondContact N-O 3.44Å; E506-H534 IonicContact OE1-CE1 2.85Å; E506-H534 PolarHBondContact OE1-CE1 3.2Å; E506-H534 IonicContact OE1-CG 3.76Å; E506-H534 IonicContact OE1-ND1 2.92Å; E506-H534 PolarHBondContact OE1-ND1 2.85Å; K532-H534 PolarHBondContact NZ-CE1 2.81Å; K532-H534 PolarHBondContact NZ-NE2 2.87Å
535	C	98.6	Very high	90.1	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	107.7	170	177.4	0	0	0	0	108.8	L482 W483 E506 V507	L482-C535 CarbonylContact O-C 3.59Å; L482-C535 WeakPolarHBondContact O-CA 3.43Å; W483-C535 HydrophobicContact CD2-CB 3.71Å; W483-C535 HydrophobicContact CE3-CB 3.56Å; W483-C535 HydrophobicContact CG-CB 4.39Å; W483-C535 HydrophobicContact CH2-CB 3.89Å; W483-C535 HydrophobicContact CZ2-CB 4.04Å; W483-C535 HydrophobicContact CZ3-CB 3.65Å; E506-C535 CarbonylContact C-O 3.59Å; E506-C535 WeakPolarHBondContact CA-O 3.36Å; V507-C535 HydrophobicContact CB-CB 4.11Å; V507-C535 PolarHBondContact N-O 3.28Å; V507-C535 PolarHBondContact O-N 3.24Å
536	L	98.7	Very high	91.4	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	135.4	178.4	-55.5	177.7	0	0	0	109.7	L482 V484 R493 L496 E506	L482-L536 PolarHBondContact N-O 2.92Å; L482-L536 PolarHBondContact O-N 2.86Å; V484-L536 HydrophobicContact CG1-CD1 3.93Å; V484-L536 HydrophobicContact CG1-CG 4.24Å; V484-L536 HydrophobicContact CG2-CD1 4.24Å; V484-L536 HydrophobicContact CG2-CD2 4.47Å; V484-L536 HydrophobicContact CG2-CG 3.99Å; R493-L536 HydrophobicContact CG-CD1 3.79Å; L496-L536 HydrophobicContact CD1-CB 3.86Å; L496-L536 HydrophobicContact CD1-CD1 4.23Å; E506-L536 HydrophobicContact CG-CD2 4.34Å
537	V	98.7	Very high	92.2	Very high	8 Å²	8	56.2 Å²	56.2	5%	0.048	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	117.4	176	-171.9	0	0	0	0	109.2	Y479 I480 F481 V504 D505 V507	Y479-V537 HydrophobicContact CD1-CG1 4.27Å; I480-V537 WeakPolarHBondContact O-CA 3.25Å; F481-V537 HydrophobicContact CD1-CG2 3.88Å; F481-V537 HydrophobicContact CE1-CG1 4.27Å; F481-V537 HydrophobicContact CE1-CG2 3.7Å; F481-V537 HydrophobicContact CE2-CG1 4.3Å; F481-V537 HydrophobicContact CZ-CG1 4.06Å; F481-V537 HydrophobicContact CZ-CG2 4.32Å; V504-V537 HydrophobicContact CG2-CB 4.38Å; V504-V537 HydrophobicContact CG2-CG1 3.98Å; V504-V537 WeakPolarHBondContact CG2-O 3.31Å; V504-V537 PolarHBondContact N-O 3.08Å; D505-V537 HydrophobicContact CB-CB 3.81Å; D505-V537 HydrophobicContact CB-CG1 4.45Å; D505-V537 HydrophobicContact CB-CG2 4.07Å; D505-V537 PolarHBondContact N-O 3.37Å; D505-V537 PolarHBondContact O-N 3.36Å; V507-V537 HydrophobicContact CG2-CG2 4.03Å
538	G	98.6	Very high	92.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	143.9	175.3	0	0	0	0	0	111.8	Y479 I480 E502	Y479-G538 CarbonylContact C-O 3.5Å; Y479-G538 VanDerWaalsContact CA-O 3.27Å; Y479-G538 WeakPolarHBondContact CA-O 3.43Å; I480-G538 PolarHBondContact N-O 3.05Å; I480-G538 PolarHBondContact O-N 3.31Å; E502-G538 CarbonylContact O-C 3.46Å; E502-G538 VanDerWaalsContact O-CA 3.27Å; E502-G538 WeakPolarHBondContact O-CA 3.23Å
539	V	98.5	Very high	92.6	Very high	19 Å²	19	51.5 Å²	51.5	12%	0.115	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	143.5	167.8	74.7	0	0	0	0	109.5	Y479 Y501 E502 V504 P543	Y479-V539 HydrophobicContact CD1-CB 4.05Å; Y479-V539 HydrophobicContact CD1-CG2 4.06Å; Y479-V539 HydrophobicContact CE1-CB 3.77Å; Y479-V539 HydrophobicContact CE1-CG2 3.59Å; Y479-V539 HydrophobicContact CE2-CG2 4.48Å; Y501-V539 CarbonylContact C-O 3.56Å; Y501-V539 VanDerWaalsContact CA-O 3.3Å; Y501-V539 WeakPolarHBondContact CA-O 3.41Å; E502-V539 HydrophobicContact CB-CG1 4.11Å; E502-V539 PolarHBondContact N-O 3.23Å; E502-V539 PolarHBondContact O-N 2.93Å; V504-V539 HydrophobicContact CG1-CB 3.91Å; V504-V539 HydrophobicContact CG1-CG1 3.35Å; V504-V539 HydrophobicContact CG2-CB 4.21Å; V539-P543 HydrophobicContact CG2-CG 3.86Å
540	K	98.4	Very high	92.8	Very high	33 Å²	33	51 Å²	51	14%	0.143	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	137.2	170.6	-175.3	171.1	-177.7	-172.4	0	108.7	P472 Q475 D477 G478 W499 G500 Y501	P472-K540 PolarHBondContact O-NZ 3.44Å; Q475-K540 WeakPolarHBondContact O-CD 3.36Å; Q475-K540 VanDerWaalsContact O-CE 3.31Å; Q475-K540 WeakPolarHBondContact O-CE 3.43Å; Q475-K540 PolarHBondContact O-NZ 2.78Å; D477-K540 CarbonylContact C-O 3.49Å; D477-K540 VanDerWaalsContact CA-O 3.29Å; D477-K540 WeakPolarHBondContact CA-O 3.42Å; G478-K540 PolarHBondContact N-O 3.49Å; G478-K540 PolarHBondContact O-N 3.2Å; W499-K540 PolarHBondContact O-NZ 2.71Å; G500-K540 WeakPolarHBondContact O-CG 3.32Å; Y501-K540 HydrophobicContact CD1-CB 3.54Å; Y501-K540 HydrophobicContact CE1-CB 3.62Å; Y501-K540 HydrophobicContact CE1-CD 4.28Å; Y501-K540 HydrophobicContact CE2-CD 4.23Å; Y501-K540 HydrophobicContact CG-CB 4.17Å
541	G	97	Very high	93.2	Very high	53 Å²	53	49.9 Å²	49.9	55%	0.546	28%	0.278	S	S	.	.	S	Bend	trans	62.9	-144.5	-177.6	0	0	0	0	0	113.2	D477	D477-G541 VanDerWaalsContact OD1-CA 3.31Å; D477-G541 WeakPolarHBondContact OD1-CA 3.23Å
542	N	95.2	Very high	93.5	Very high	101 Å²	101	52.8 Å²	52.8	54%	0.54	29%	0.294	S	S	.	.			trans	-130	70.2	-176.2	-171.7	-1.2	0	0	0	111.3	D477 K544	D477-N542 PolarHBondContact OD1-N 3.2Å; N542-K544 PolarHBondContact ND2-NZ 2.95Å; N542-K544 VanDerWaalsContact O-CE 3.3Å; N542-K544 WeakPolarHBondContact O-CE 3.26Å; N542-K544 PolarHBondContact O-N 3.25Å; N542-K544 PolarHBondContact OD1-NZ 3.21Å
543	P	93.8	Very high	93.7	Very high	20 Å²	20	51.8 Å²	51.8	13%	0.13	29%	0.294	C	S	.	.			trans	-58.5	137.8	-175.9	22.2	-32.1	0	0	0	112.6	Y479 V539 V546	Y479-P543 HydrophobicContact CD2-CB 4.49Å; Y479-P543 HydrophobicContact CD2-CG 4.09Å; Y479-P543 HydrophobicContact CE2-CB 4.07Å; Y479-P543 HydrophobicContact CE2-CG 3.45Å; Y479-P543 VanDerWaalsContact CE2-CG 3.45Å; V539-P543 HydrophobicContact CG2-CG 3.86Å; P543-V546 HydrophobicContact CB-CG1 4.15Å
544	K	87.7	Confident	93.9	Very high	151 Å²	151	54 Å²	54	66%	0.657	31%	0.306	S	S	*	.			trans	-106.4	154.9	-177.7	-55.4	-56	178.8	-169.1	0	111.5	N542 V546	N542-K544 PolarHBondContact ND2-NZ 2.95Å; N542-K544 VanDerWaalsContact O-CE 3.3Å; N542-K544 WeakPolarHBondContact O-CE 3.26Å; N542-K544 PolarHBondContact O-N 3.25Å; N542-K544 PolarHBondContact OD1-NZ 3.21Å; K544-V546 VanDerWaalsContact C-N 3.31Å; K544-V546 PolarHBondContact O-N 3.4Å
545	G	84.9	Confident	94	Very high	13 Å²	13	53.6 Å²	53.6	13%	0.134	30%	0.304	C	S	.	.	S	Bend	trans	68.7	26.2	176.4	0	0	0	0	0	114.4
546	V	89.7	Confident	93.9	Very high	28 Å²	28	57.6 Å²	57.6	17%	0.17	33%	0.328	C	S	.	.			trans	-97.9	138.2	-177.9	-64.1	0	0	0	0	111.9	Y479 P543 K544 R548 L576	Y479-V546 HydrophobicContact CD2-CG1 4.45Å; Y479-V546 HydrophobicContact CE2-CB 4.21Å; Y479-V546 HydrophobicContact CE2-CG1 3.92Å; Y479-V546 HydrophobicContact CE2-CG2 4.16Å; P543-V546 HydrophobicContact CB-CG1 4.15Å; K544-V546 VanDerWaalsContact C-N 3.31Å; K544-V546 PolarHBondContact O-N 3.4Å; V546-R548 HydrophobicContact CG2-CG 4.16Å; V546-R548 PolarHBondContact O-N 2.85Å; V546-L576 WeakPolarHBondContact CA-O 3.48Å
547	N	89.3	Confident	93.6	Very high	27 Å²	27	57.9 Å²	57.9	14%	0.144	33%	0.33	C	S	.	.			trans	-94.5	86.1	-176.7	-61.2	-31.9	0	0	0	111.1	T273 L550 R575 L576 P578	T273-N547 WeakPolarHBondContact CG2-OD1 3.42Å; N547-L550 HydrophobicContact CB-CD1 3.41Å; N547-L550 VanDerWaalsContact CB-CD1 3.41Å; N547-L550 HydrophobicContact CB-CG 3.93Å; N547-R575 WeakPolarHBondContact CB-O 3.07Å; N547-R575 PolarHBondContact ND2-O 3.3Å; N547-L576 PolarHBondContact N-O 2.96Å; N547-P578 VanDerWaalsContact ND2-CG 3.34Å; N547-P578 WeakPolarHBondContact ND2-CG 3.15Å
548	R	89.2	Confident	93.4	Very high	201 Å²	201	61 Å²	61	76%	0.758	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	139.7	-178.7	-62.9	174.8	63	-166.4	0.4	111.5	V546	V546-R548 HydrophobicContact CG2-CG 4.16Å; V546-R548 PolarHBondContact O-N 2.85Å
549	G	87.6	Confident	93	Very high	78 Å²	78	63.5 Å²	63.5	80%	0.804	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	23.3	173	0	0	0	0	0	115.5
550	L	87.6	Confident	92.6	Very high	77 Å²	77	66.4 Å²	66.4	40%	0.403	37%	0.368	S	S	.	.	S	Bend	trans	-84.2	-36.9	174.1	-69.4	-172	0	0	0	113.6	F271 N547 R575	F271-L550 HydrophobicContact CD1-CD2 3.84Å; F271-L550 HydrophobicContact CE1-CD2 3.8Å; N547-L550 HydrophobicContact CB-CD1 3.41Å; N547-L550 VanDerWaalsContact CB-CD1 3.41Å; N547-L550 HydrophobicContact CB-CG 3.93Å; L550-R575 HydrophobicContact CD1-CB 4.43Å
551	D	93	Very high	92	Very high	64 Å²	64	71 Å²	71	34%	0.342	39%	0.391	S	S	.	.	S	Bend	trans	-114.5	161.3	-175	-80	-75.5	0	0	0	111.5	I572 R575	D551-I572 HydrophobicContact CB-CG1 4.3Å; D551-I572 HydrophobicContact CB-CG2 4.1Å; D551-R575 VanDerWaalsContact CG-NH2 3.35Å; D551-R575 IonicContact OD1-CZ 3.02Å; D551-R575 IonicContact OD1-NE 3.37Å; D551-R575 PolarHBondContact OD1-NE 2.92Å; D551-R575 IonicContact OD1-NH2 2.94Å; D551-R575 PolarHBondContact OD1-NH2 2.83Å; D551-R575 IonicContact OD2-CZ 3.69Å; D551-R575 IonicContact OD2-NE 3.77Å; D551-R575 PolarHBondContact OD2-NE 3.14Å; D551-R575 IonicContact OD2-NH2 3.67Å; D551-R575 PolarHBondContact OD2-NH2 3.05Å
552	C	94.1	Very high	91.2	Very high	84 Å²	84	73.6 Å²	73.6	57%	0.568	40%	0.395	S	S	*	.			trans	-88.7	165.6	168.7	62.2	0	0	0	0	111.7	I554	C552-I554 VanDerWaalsContact C-N 3.32Å
553	D	96.9	Very high	90.6	Very high	75 Å²	75	70.6 Å²	70.6	40%	0.401	38%	0.383	S	S	.	.	S	Bend	trans	-88.7	9.9	-178.5	62.2	-27	0	0	0	113.4	V507 I508	V507-D553 CarbonylContact C-O 3.49Å; V507-D553 VanDerWaalsContact CA-O 3.25Å; V507-D553 WeakPolarHBondContact CA-O 3.28Å; I508-D553 PolarHBondContact N-O 2.78Å
554	I	98.1	Very high	90.5	Very high	85 Å²	85	70.4 Å²	70.4	44%	0.436	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.6	-177.9	-59.9	174.3	0	0	0	110.3	I508 V510 C552 V556	I508-I554 WeakPolarHBondContact O-CA 3.46Å; V510-I554 HydrophobicContact CG2-CG2 4.06Å; C552-I554 VanDerWaalsContact C-N 3.32Å; I554-V556 HydrophobicContact CG2-CG2 4.03Å
555	I	97.6	Very high	90.8	Very high	8 Å²	8	64.2 Å²	64.2	4%	0.041	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.9	169.5	-58.7	173.3	0	0	0	108.1	V507 I508 W509 V510 P566 E568 I569 I572	V507-I555 HydrophobicContact CG1-CD1 3.86Å; V507-I555 HydrophobicContact CG1-CG1 4Å; I508-I555 PolarHBondContact O-N 2.95Å; W509-I555 CarbonylContact C-O 3.26Å; W509-I555 WeakPolarHBondContact CA-O 3.28Å; V510-I555 PolarHBondContact N-O 3.16Å; I555-P566 HydrophobicContact CD1-CG 4.04Å; I555-P566 HydrophobicContact CG2-CB 3.76Å; I555-P566 HydrophobicContact CG2-CG 3.96Å; I555-E568 HydrophobicContact CD1-CB 4.45Å; I555-E568 HydrophobicContact CG2-CB 4.03Å; I555-E568 HydrophobicContact CG2-CG 4.38Å; I555-I569 HydrophobicContact CD1-CB 4.23Å; I555-I569 HydrophobicContact CD1-CD1 4.04Å; I555-I572 HydrophobicContact CD1-CD1 3.86Å; I555-I572 HydrophobicContact CG1-CD1 3.88Å
556	V	96.2	Very high	91.3	Very high	84 Å²	84	63.6 Å²	63.6	51%	0.509	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	113	171.4	-174.7	0	0	0	0	107.5	V510 T512 I554	V510-V556 HydrophobicContact CB-CG2 4.21Å; T512-V556 HydrophobicContact CG2-CG1 3.61Å; I554-V556 HydrophobicContact CG2-CG2 4.03Å
557	S	94.4	Very high	91.5	Very high	6 Å²	6	65.4 Å²	65.4	4%	0.042	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	160.3	-178.9	68	0	0	0	0	113.2	W509 V510 T512 P566 E568	W509-S557 PolarHBondContact NE1-O 3.25Å; W509-S557 PolarHBondContact NE1-OG 3.26Å; V510-S557 PolarHBondContact O-N 2.98Å; T512-S557 PolarHBondContact N-O 3.32Å; T512-S557 VanDerWaalsContact OG1-C 3.25Å; T512-S557 PolarHBondContact OG1-O 2.85Å; S557-P566 WeakPolarHBondContact OG-CB 3.31Å; S557-E568 WeakPolarHBondContact CB-OE1 3.3Å
558	E	93	Very high	91.8	Very high	73 Å²	73	68.3 Å²	68.3	34%	0.341	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	139.6	-177.8	-60.8	-172.5	179.9	0	0	111.6	T512 Q516	T512-E558 WeakPolarHBondContact O-CA 3.48Å; T512-E558 PolarHBondContact OG1-N 2.77Å; Q516-E558 PolarHBondContact NE2-OE1 2.7Å
559	V	91.5	Very high	92.2	Very high	53 Å²	53	58.8 Å²	58.8	32%	0.321	33%	0.332	S	S	.	.			trans	-73.2	132.6	171.2	177.9	0	0	0	0	110.2	W509 K511 T512 I519	W509-V559 HydrophobicContact CH2-CG2 4.43Å; W509-V559 HydrophobicContact CZ2-CG2 4.12Å; K511-V559 HydrophobicContact CB-CG2 3.58Å; K511-V559 HydrophobicContact CD-CG2 3.86Å; K511-V559 HydrophobicContact CG-CG2 3.7Å; T512-V559 PolarHBondContact O-N 2.75Å; I519-V559 HydrophobicContact CD1-CB 3.86Å; I519-V559 HydrophobicContact CD1-CG2 3.39Å
560	R	89.9	Confident	92.6	Very high	81 Å²	81	55.7 Å²	55.7	31%	0.306	30%	0.296	S	S	.	.			trans	-109.5	-144.5	179.1	-50.4	175	-141.9	164.6	-14.8	110.5	H564 D567	R560-H564 HydrophobicContact CB-CB 4.1Å; R560-H564 PolarHBondContact NH1-CD2 3.48Å; R560-H564 PolarHBondContact NH1-CE1 2.8Å; R560-H564 VanDerWaalsContact NH1-CE1 3.29Å; R560-H564 PolarHBondContact NH1-NE2 2.83Å; R560-D567 IonicContact CZ-OD1 3.29Å; R560-D567 IonicContact CZ-OD2 3.4Å; R560-D567 IonicContact NH1-OD1 3.44Å; R560-D567 PolarHBondContact NH1-OD1 3.36Å; R560-D567 IonicContact NH1-OD2 3.46Å; R560-D567 PolarHBondContact NH1-OD2 2.83Å; R560-D567 IonicContact NH2-OD1 2.71Å; R560-D567 IonicContact NH2-OD2 3.72Å; R560-D567 PolarHBondContact NH2-OD2 2.99Å
561	E	85.1	Confident	92.9	Very high	130 Å²	130	53.2 Å²	53.2	61%	0.607	29%	0.29	S	S	*	.	S	Bend	trans	-57.3	162	175.4	-56.2	83.9	-179.9	0	0	112.3	S563 H564	E561-S563 PolarHBondContact O-N 3.47Å; E561-H564 HydrophobicContact CB-CB 4.48Å; E561-H564 WeakPolarHBondContact O-CB 3.21Å; E561-H564 PolarHBondContact O-N 3.13Å; E561-H564 IonicContact OE2-CE1 2.67Å; E561-H564 IonicContact OE2-CG 2.79Å; E561-H564 IonicContact OE2-ND1 2.73Å; E561-H564 PolarHBondContact OE2-ND1 2.9Å
562	T	80.6	Confident	93	Very high	106 Å²	106	51.1 Å²	51.1	65%	0.65	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	126.4	-178	-55.1	0	0	0	0	111.8	H564 R588	T562-H564 PolarHBondContact O-N 2.79Å; T562-R588 PolarHBondContact O-NH1 3.29Å
563	S	82.7	Confident	93.2	Very high	39 Å²	39	47.1 Å²	47.1	27%	0.273	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	16.6	-179.1	-52.7	0	0	0	0	115	Y458 E561 K565 R588	Y458-S563 PolarHBondContact OH-OG 2.87Å; E561-S563 PolarHBondContact O-N 3.47Å; S563-K565 PolarHBondContact O-N 2.84Å; S563-R588 PolarHBondContact O-NH2 2.63Å
564	H	91	Very high	93	Very high	15 Å²	15	46.7 Å²	46.7	7%	0.069	25%	0.247	C	C	.	.			trans	-78.3	108.3	175.5	-164.3	163.8	0	0	0	110.4	W509 R560 E561 T562 D567 H590	W509-H564 WeakPolarHBondContact CH2-O 3.37Å; R560-H564 HydrophobicContact CB-CB 4.1Å; R560-H564 PolarHBondContact NH1-CD2 3.48Å; R560-H564 PolarHBondContact NH1-CE1 2.8Å; R560-H564 VanDerWaalsContact NH1-CE1 3.29Å; R560-H564 PolarHBondContact NH1-NE2 2.83Å; E561-H564 HydrophobicContact CB-CB 4.48Å; E561-H564 WeakPolarHBondContact O-CB 3.21Å; E561-H564 PolarHBondContact O-N 3.13Å; E561-H564 IonicContact OE2-CE1 2.67Å; E561-H564 IonicContact OE2-CG 2.79Å; E561-H564 IonicContact OE2-ND1 2.73Å; E561-H564 PolarHBondContact OE2-ND1 2.9Å; T562-H564 PolarHBondContact O-N 2.79Å; H564-D567 IonicContact NE2-OD1 3.84Å; H564-H590 AromaticContact CD2-CD2 3.54Å; H564-H590 AromaticContact CD2-NE2 3.53Å; H564-H590 AromaticContact CE1-CD2 3.51Å; H564-H590 AromaticContact CE1-CG 3.88Å; H564-H590 AromaticContact CE1-NE2 3.96Å; H564-H590 AromaticContact CG-NE2 3.9Å; H564-H590 AromaticContact NE2-CD2 3.08Å; H564-H590 PolarHBondContact NE2-CD2 3.29Å; H564-H590 AromaticContact NE2-CG 3.87Å; H564-H590 AromaticContact NE2-NE2 3.59Å
565	K	94.4	Very high	92.7	Very high	21 Å²	21	47.9 Å²	47.9	9%	0.091	25%	0.246	C	C	.	.			trans	-73.3	158.4	177.3	-60.2	-58	-168.3	-68.8	0	111.6	D447 W483 W509 E533 S563	D447-K565 WeakPolarHBondContact OD1-CE 2.99Å; D447-K565 IonicContact OD1-NZ 2.77Å; D447-K565 PolarHBondContact OD1-NZ 2.8Å; D447-K565 WeakPolarHBondContact OD2-CE 3.32Å; D447-K565 VanDerWaalsContact OD2-CG 3.3Å; D447-K565 WeakPolarHBondContact OD2-CG 3.49Å; D447-K565 IonicContact OD2-NZ 2.93Å; D447-K565 PolarHBondContact OD2-NZ 2.79Å; W483-K565 HydrophobicContact CD2-CD 3.97Å; W483-K565 HydrophobicContact CD2-CG 4.25Å; W483-K565 HydrophobicContact CE3-CD 4.08Å; W483-K565 HydrophobicContact CG-CD 4.29Å; W483-K565 HydrophobicContact CG-CG 4.33Å; W483-K565 HydrophobicContact CZ2-CB 4.49Å; W509-K565 HydrophobicContact CE3-CD 4.15Å; W509-K565 HydrophobicContact CZ3-CD 3.92Å; E533-K565 VanDerWaalsContact OE2-CD 3.26Å; E533-K565 WeakPolarHBondContact OE2-CD 3.49Å; E533-K565 WeakPolarHBondContact OE2-CE 3.42Å; E533-K565 IonicContact OE2-NZ 3.78Å; S563-K565 PolarHBondContact O-N 2.84Å
566	P	95.7	Very high	92.5	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	25%	0.251	C	S	.	.			trans	-62.2	139	178.7	22.1	-33.5	0	0	0	113.2	W483 W509 I555 S557 E568 I569	W483-P566 HydrophobicContact CH2-CG 3.94Å; W483-P566 HydrophobicContact CZ2-CG 4.13Å; W509-P566 HydrophobicContact CB-CG 4.34Å; W509-P566 HydrophobicContact CD2-CG 4.03Å; W509-P566 HydrophobicContact CG-CG 3.91Å; I555-P566 HydrophobicContact CD1-CG 4.04Å; I555-P566 HydrophobicContact CG2-CB 3.76Å; I555-P566 HydrophobicContact CG2-CG 3.96Å; S557-P566 WeakPolarHBondContact OG-CB 3.31Å; P566-E568 WeakPolarHBondContact CA-OE2 3.35Å; P566-E568 WeakPolarHBondContact CB-OE2 3.32Å; P566-E568 PolarHBondContact O-N 3.41Å; P566-I569 WeakPolarHBondContact O-CG2 3.48Å
567	D	94.2	Very high	92.3	Very high	66 Å²	66	45 Å²	45	35%	0.353	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-19.6	175	-54.4	-35.3	0	0	0	112.2	R560 H564 I569 Y570	R560-D567 IonicContact CZ-OD1 3.29Å; R560-D567 IonicContact CZ-OD2 3.4Å; R560-D567 IonicContact NH1-OD1 3.44Å; R560-D567 PolarHBondContact NH1-OD1 3.36Å; R560-D567 IonicContact NH1-OD2 3.46Å; R560-D567 PolarHBondContact NH1-OD2 2.83Å; R560-D567 IonicContact NH2-OD1 2.71Å; R560-D567 IonicContact NH2-OD2 3.72Å; R560-D567 PolarHBondContact NH2-OD2 2.99Å; H564-D567 IonicContact NE2-OD1 3.84Å; D567-I569 PolarHBondContact O-N 2.67Å; D567-Y570 HydrophobicContact CB-CD2 4.22Å; D567-Y570 HydrophobicContact CB-CE2 4.49Å; D567-Y570 WeakPolarHBondContact O-CD2 3.27Å; D567-Y570 PolarHBondContact O-N 2.85Å
568	E	95.2	Very high	91.9	Very high	88 Å²	88	46.1 Å²	46.1	41%	0.411	24%	0.235	S	C	.	.	H	α-helix	trans	-55.7	-27.4	178.7	-65.9	86	164.7	0	0	111.8	I555 S557 P566 Y570 G571 I572	I555-E568 HydrophobicContact CD1-CB 4.45Å; I555-E568 HydrophobicContact CG2-CB 4.03Å; I555-E568 HydrophobicContact CG2-CG 4.38Å; S557-E568 WeakPolarHBondContact CB-OE1 3.3Å; P566-E568 WeakPolarHBondContact CA-OE2 3.35Å; P566-E568 WeakPolarHBondContact CB-OE2 3.32Å; P566-E568 PolarHBondContact O-N 3.41Å; E568-Y570 VanDerWaalsContact C-N 3.31Å; E568-Y570 PolarHBondContact O-N 3.23Å; E568-G571 PolarHBondContact O-N 3.43Å; E568-I572 WeakPolarHBondContact O-CG1 3.4Å; E568-I572 PolarHBondContact O-N 3.15Å; E568-I572 VanDerWaalsContact O-N 3.1Å
569	I	97.5	Very high	91.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.8	-37.9	177.5	-163.3	63.2	0	0	0	112.5	M445 F481 W483 V507 I555 P566 D567 G571 I572 I573	M445-I569 HydrophobicContact SD-CG1 4.17Å; M445-I569 HydrophobicContact SD-CG2 3.78Å; F481-I569 HydrophobicContact CD1-CD1 4.04Å; F481-I569 HydrophobicContact CE1-CD1 4.36Å; W483-I569 HydrophobicContact CZ2-CB 4.23Å; W483-I569 HydrophobicContact CZ2-CD1 4.23Å; W483-I569 HydrophobicContact CZ2-CG1 4.03Å; V507-I569 HydrophobicContact CG1-CD1 4.39Å; I555-I569 HydrophobicContact CD1-CB 4.23Å; I555-I569 HydrophobicContact CD1-CD1 4.04Å; P566-I569 WeakPolarHBondContact O-CG2 3.48Å; D567-I569 PolarHBondContact O-N 2.67Å; I569-G571 VanDerWaalsContact C-N 3.3Å; I569-G571 PolarHBondContact O-N 3.08Å; I569-I572 PolarHBondContact O-N 3.13Å; I569-I573 HydrophobicContact CG1-CD1 4Å; I569-I573 WeakPolarHBondContact O-CB 3.24Å; I569-I573 VanDerWaalsContact O-CG1 3.31Å; I569-I573 WeakPolarHBondContact O-CG1 3.44Å; I569-I573 PolarHBondContact O-N 2.96Å
570	Y	96.6	Very high	91.4	Very high	13 Å²	13	42.4 Å²	42.4	5%	0.051	22%	0.221	C	C	.	.	H	α-helix	trans	-66	-38	179.1	-57.5	-74.1	0	0	0	110.9	M445 D567 E568 I573 E574 E584 N591 Q593 W596	M445-Y570 HydrophobicContact CE-CD1 4.38Å; M445-Y570 HydrophobicContact CE-CE1 3.45Å; M445-Y570 VanDerWaalsContact CE-CE1 3.45Å; M445-Y570 WeakPolarHBondContact CE-OH 3.3Å; M445-Y570 HydrophobicContact SD-CE1 4.2Å; D567-Y570 HydrophobicContact CB-CD2 4.22Å; D567-Y570 HydrophobicContact CB-CE2 4.49Å; D567-Y570 WeakPolarHBondContact O-CD2 3.27Å; D567-Y570 PolarHBondContact O-N 2.85Å; E568-Y570 VanDerWaalsContact C-N 3.31Å; E568-Y570 PolarHBondContact O-N 3.23Å; Y570-I573 PolarHBondContact O-N 3.42Å; Y570-E574 WeakPolarHBondContact O-CB 3.37Å; Y570-E574 PolarHBondContact O-N 3.48Å; Y570-E584 PolarHBondContact OH-OE1 2.97Å; Y570-E584 VanDerWaalsContact OH-OE1 3.1Å; Y570-N591 VanDerWaalsContact OH-CB 3.28Å; Y570-N591 WeakPolarHBondContact OH-CB 3.22Å; Y570-N591 PolarHBondContact OH-ND2 3.36Å; Y570-Q593 HydrophobicContact CD1-CG 3.46Å; Y570-Q593 VanDerWaalsContact CD1-CG 3.46Å; Y570-Q593 HydrophobicContact CD2-CG 4.16Å; Y570-Q593 HydrophobicContact CE1-CG 3.82Å; Y570-Q593 HydrophobicContact CG-CG 3.66Å; Y570-W596 HydrophobicContact CD1-CH2 4.14Å; Y570-W596 AromaticContact CD1-CZ2 3.88Å; Y570-W596 HydrophobicContact CD1-CZ2 3.88Å
571	G	92.7	Very high	91.5	Very high	26 Å²	26	42 Å²	42	27%	0.268	22%	0.219	S	C	.	.	H	α-helix	trans	-65.2	-42.1	175.8	0	0	0	0	0	112.6	E568 I569 E574 R575	E568-G571 PolarHBondContact O-N 3.43Å; I569-G571 VanDerWaalsContact C-N 3.3Å; I569-G571 PolarHBondContact O-N 3.08Å; G571-E574 PolarHBondContact O-N 3.24Å; G571-R575 WeakPolarHBondContact O-CG 3.17Å; G571-R575 PolarHBondContact O-N 3.14Å; G571-R575 PolarHBondContact O-NH1 3.06Å
572	I	95.9	Very high	92.1	Very high	20 Å²	20	35.8 Å²	35.8	10%	0.103	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-48.1	175.3	-66.9	167.7	0	0	0	110.1	D551 I555 E568 I569 E574 R575 L576	D551-I572 HydrophobicContact CB-CG1 4.3Å; D551-I572 HydrophobicContact CB-CG2 4.1Å; I555-I572 HydrophobicContact CD1-CD1 3.86Å; I555-I572 HydrophobicContact CG1-CD1 3.88Å; E568-I572 WeakPolarHBondContact O-CG1 3.4Å; E568-I572 PolarHBondContact O-N 3.15Å; E568-I572 VanDerWaalsContact O-N 3.1Å; I569-I572 PolarHBondContact O-N 3.13Å; I572-E574 PolarHBondContact O-N 2.92Å; I572-R575 PolarHBondContact O-N 3.21Å; I572-L576 WeakPolarHBondContact O-CB 3.24Å; I572-L576 PolarHBondContact O-N 3.25Å
573	I	96.9	Very high	92.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.1	-42.2	179.9	-70.8	171.8	0	0	0	111.4	V443 M445 F481 I569 Y570 L576 S577 K582 W596	V443-I573 HydrophobicContact CB-CG2 4.03Å; V443-I573 HydrophobicContact CG1-CG2 3.66Å; V443-I573 HydrophobicContact CG2-CG2 4.23Å; M445-I573 HydrophobicContact CB-CD1 4.3Å; M445-I573 HydrophobicContact CG-CD1 4.36Å; M445-I573 HydrophobicContact SD-CD1 4.14Å; F481-I573 HydrophobicContact CB-CD1 4.19Å; F481-I573 HydrophobicContact CD1-CD1 4.21Å; F481-I573 HydrophobicContact CD1-CG1 4.23Å; F481-I573 HydrophobicContact CD2-CD1 3.85Å; F481-I573 HydrophobicContact CD2-CG1 3.88Å; F481-I573 HydrophobicContact CE1-CG1 4.12Å; F481-I573 HydrophobicContact CE2-CD1 4.28Å; F481-I573 HydrophobicContact CE2-CG1 3.78Å; F481-I573 HydrophobicContact CG-CD1 3.82Å; F481-I573 HydrophobicContact CG-CG1 4.11Å; F481-I573 HydrophobicContact CZ-CG1 3.9Å; I569-I573 HydrophobicContact CG1-CD1 4Å; I569-I573 WeakPolarHBondContact O-CB 3.24Å; I569-I573 VanDerWaalsContact O-CG1 3.31Å; I569-I573 WeakPolarHBondContact O-CG1 3.44Å; I569-I573 PolarHBondContact O-N 2.96Å; Y570-I573 PolarHBondContact O-N 3.42Å; I573-L576 PolarHBondContact O-N 3.29Å; I573-S577 PolarHBondContact O-N 2.82Å; I573-K582 HydrophobicContact CG2-CD 3.78Å; I573-W596 HydrophobicContact CB-CH2 4.49Å; I573-W596 HydrophobicContact CB-CZ2 4.26Å; I573-W596 HydrophobicContact CD1-CH2 3.86Å; I573-W596 HydrophobicContact CD1-CZ2 4.4Å; I573-W596 HydrophobicContact CG2-CH2 3.91Å; I573-W596 HydrophobicContact CG2-CZ2 3.7Å
574	E	93.1	Very high	93.7	Very high	65 Å²	65	29 Å²	29	30%	0.304	15%	0.147	S	C	.	.	H	α-helix	trans	-64	-40.5	176.8	-172.9	59.9	-148.8	0	0	111.6	Y570 G571 I572 S577 P578 G579 K582	Y570-E574 WeakPolarHBondContact O-CB 3.37Å; Y570-E574 PolarHBondContact O-N 3.48Å; G571-E574 PolarHBondContact O-N 3.24Å; I572-E574 PolarHBondContact O-N 2.92Å; E574-S577 CarbonylContact O-C 3.51Å; E574-S577 VanDerWaalsContact O-C 3.26Å; E574-S577 PolarHBondContact O-N 2.98Å; E574-P578 WeakPolarHBondContact O-CA 3.41Å; E574-P578 WeakPolarHBondContact O-CD 3.38Å; E574-P578 WeakPolarHBondContact O-CG 3.32Å; E574-P578 WeakPolarHBondContact OE1-CA 3.48Å; E574-G579 PolarHBondContact OE1-N 3.31Å; E574-K582 IonicContact OE1-NZ 3.74Å; E574-K582 WeakPolarHBondContact OE2-CE 3.47Å; E574-K582 IonicContact OE2-NZ 3.73Å; E574-K582 PolarHBondContact OE2-NZ 3.3Å
575	R	91.4	Very high	94	Very high	111 Å²	111	28.3 Å²	28.3	42%	0.419	14%	0.144	S	C	.	.	H	α-helix	trans	-67.9	-37.3	175.9	-74	-173.4	-62.8	-85.2	6.1	112.6	N547 L550 D551 G571 I572	N547-R575 WeakPolarHBondContact CB-O 3.07Å; N547-R575 PolarHBondContact ND2-O 3.3Å; L550-R575 HydrophobicContact CD1-CB 4.43Å; D551-R575 VanDerWaalsContact CG-NH2 3.35Å; D551-R575 IonicContact OD1-CZ 3.02Å; D551-R575 IonicContact OD1-NE 3.37Å; D551-R575 PolarHBondContact OD1-NE 2.92Å; D551-R575 IonicContact OD1-NH2 2.94Å; D551-R575 PolarHBondContact OD1-NH2 2.83Å; D551-R575 IonicContact OD2-CZ 3.69Å; D551-R575 IonicContact OD2-NE 3.77Å; D551-R575 PolarHBondContact OD2-NE 3.14Å; D551-R575 IonicContact OD2-NH2 3.67Å; D551-R575 PolarHBondContact OD2-NH2 3.05Å; G571-R575 WeakPolarHBondContact O-CG 3.17Å; G571-R575 PolarHBondContact O-N 3.14Å; G571-R575 PolarHBondContact O-NH1 3.06Å; I572-R575 PolarHBondContact O-N 3.21Å
576	L	93.9	Very high	94.2	Very high	27 Å²	27	29 Å²	29	14%	0.141	15%	0.147	C	C	.	.	H	α-helix	trans	-63.8	-43.7	175.7	178.4	67.9	0	0	0	111.9	Y479 F481 V546 N547 I572 I573	Y479-L576 HydrophobicContact CD2-CD2 4.27Å; Y479-L576 HydrophobicContact CG-CD2 4.25Å; F481-L576 HydrophobicContact CE2-CD2 3.89Å; F481-L576 HydrophobicContact CZ-CD2 3.76Å; V546-L576 WeakPolarHBondContact CA-O 3.48Å; N547-L576 PolarHBondContact N-O 2.96Å; I572-L576 WeakPolarHBondContact O-CB 3.24Å; I572-L576 PolarHBondContact O-N 3.25Å; I573-L576 PolarHBondContact O-N 3.29Å
577	S	92.1	Very high	94.2	Very high	3 Å²	3	29 Å²	29	2%	0.021	15%	0.147	C	C	.	.	S	Bend	trans	-136.3	78.8	-178	-167.4	0	0	0	0	111.1	I573 E574 T580 K582	I573-S577 PolarHBondContact O-N 2.82Å; E574-S577 CarbonylContact O-C 3.51Å; E574-S577 VanDerWaalsContact O-C 3.26Å; E574-S577 PolarHBondContact O-N 2.98Å; S577-T580 PolarHBondContact O-OG1 2.93Å; S577-T580 WeakPolarHBondContact OG-CB 3.33Å; S577-T580 WeakPolarHBondContact OG-CG2 3.4Å; S577-T580 PolarHBondContact OG-OG1 3.18Å; S577-K582 WeakPolarHBondContact O-CE 3.4Å; S577-K582 PolarHBondContact O-NZ 3.32Å
578	P	87.5	Confident	94.2	Very high	30 Å²	30	27.8 Å²	27.8	20%	0.195	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	140.4	-173.4	-19.5	31.8	0	0	0	113.1	Q278 N547 E574 T580	Q278-P578 PolarHBondContact OE1-O 3.04Å; N547-P578 VanDerWaalsContact ND2-CG 3.34Å; N547-P578 WeakPolarHBondContact ND2-CG 3.15Å; E574-P578 WeakPolarHBondContact O-CA 3.41Å; E574-P578 WeakPolarHBondContact O-CD 3.38Å; E574-P578 WeakPolarHBondContact O-CG 3.32Å; E574-P578 WeakPolarHBondContact OE1-CA 3.48Å; P578-T580 PolarHBondContact O-N 3.43Å
579	G	82.9	Confident	94.2	Very high	17 Å²	17	27 Å²	27	18%	0.175	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	0.4	171.6	0	0	0	0	0	115.8	E574 N595	E574-G579 PolarHBondContact OE1-N 3.31Å; G579-N595 PolarHBondContact O-ND2 3.47Å
580	T	89.9	Confident	93.9	Very high	32 Å²	32	30.7 Å²	30.7	20%	0.196	16%	0.157	C	C	.	.			trans	-80.8	157.7	178	64	0	0	0	0	112.1	A442 S577 P578 K582 N595	A442-T580 VanDerWaalsContact CB-CB 3.5Å; A442-T580 HydrophobicContact CB-CG2 4.01Å; S577-T580 PolarHBondContact O-OG1 2.93Å; S577-T580 WeakPolarHBondContact OG-CB 3.33Å; S577-T580 WeakPolarHBondContact OG-CG2 3.4Å; S577-T580 PolarHBondContact OG-OG1 3.18Å; P578-T580 PolarHBondContact O-N 3.43Å; T580-K582 PolarHBondContact O-N 2.9Å; T580-K582 PolarHBondContact O-NZ 3.22Å; T580-K582 VanDerWaalsContact O-NZ 3.07Å; T580-K582 PolarHBondContact OG1-NZ 3.07Å; T580-N595 PolarHBondContact O-ND2 3.05Å
581	R	92	Very high	93.8	Very high	71 Å²	71	30.4 Å²	30.4	27%	0.268	16%	0.157	S	C	.	.			trans	-67.8	128.7	174.9	-62.1	176.8	82.8	-133.4	8.4	109.8	L438 K440 F441 A442 D610 V613	L438-R581 PolarHBondContact O-NH1 2.55Å; L438-R581 PolarHBondContact O-NH2 2.9Å; L438-R581 VanDerWaalsContact O-NH2 3.09Å; K440-R581 PolarHBondContact O-NH1 3.07Å; F441-R581 HydrophobicContact CD1-CB 3.97Å; F441-R581 HydrophobicContact CE1-CB 4.49Å; A442-R581 PolarHBondContact N-O 3.33Å; R581-D610 IonicContact CZ-OD2 2.75Å; R581-D610 IonicContact NE-OD2 2.55Å; R581-D610 IonicContact NH2-OD2 3.68Å; R581-D610 PolarHBondContact NH2-OD2 2.94Å; R581-V613 VanDerWaalsContact NH2-CG2 3.26Å
582	K	97.1	Very high	93.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	149.2	-178.7	-60.3	175.4	-178.3	75.8	0	111.1	F441 V443 I573 E574 S577 T580 N595 W596 I597	F441-K582 VanDerWaalsContact CD1-C 3.45Å; F441-K582 WeakPolarHBondContact CD1-O 3.48Å; F441-K582 WeakPolarHBondContact CE1-O 3.3Å; V443-K582 HydrophobicContact CB-CG 4.26Å; V443-K582 WeakPolarHBondContact O-CA 3.46Å; I573-K582 HydrophobicContact CG2-CD 3.78Å; E574-K582 IonicContact OE1-NZ 3.74Å; E574-K582 WeakPolarHBondContact OE2-CE 3.47Å; E574-K582 IonicContact OE2-NZ 3.73Å; E574-K582 PolarHBondContact OE2-NZ 3.3Å; S577-K582 WeakPolarHBondContact O-CE 3.4Å; S577-K582 PolarHBondContact O-NZ 3.32Å; T580-K582 PolarHBondContact O-N 2.9Å; T580-K582 PolarHBondContact O-NZ 3.22Å; T580-K582 VanDerWaalsContact O-NZ 3.07Å; T580-K582 PolarHBondContact OG1-NZ 3.07Å; K582-N595 PolarHBondContact N-O 3.38Å; K582-W596 HydrophobicContact CB-CD2 3.36Å; K582-W596 VanDerWaalsContact CB-CE2 3.47Å; K582-W596 HydrophobicContact CB-CE3 3.65Å; K582-W596 HydrophobicContact CB-CG 3.8Å; K582-W596 HydrophobicContact CB-CH2 4.14Å; K582-W596 HydrophobicContact CB-CZ2 3.89Å; K582-W596 HydrophobicContact CB-CZ3 4.01Å; K582-W596 HydrophobicContact CD-CD2 4.22Å; K582-W596 HydrophobicContact CD-CH2 4.27Å; K582-W596 HydrophobicContact CD-CZ2 3.45Å; K582-W596 VanDerWaalsContact CD-CZ2 3.45Å; K582-W596 HydrophobicContact CG-CD2 4.41Å; K582-W596 HydrophobicContact CG-CZ2 4.22Å; K582-W596 WeakPolarHBondContact O-CA 3.36Å; K582-I597 PolarHBondContact O-N 3.43Å
583	L	98.5	Very high	93.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.9	179.4	175.6	66	0	0	0	109.3	L438 F441 V443 I444 M445 L474 L585 W596 I597 L599	L438-L583 HydrophobicContact CD1-CD1 4.13Å; F441-L583 HydrophobicContact CB-CB 4.27Å; F441-L583 HydrophobicContact CD1-CB 3.66Å; F441-L583 HydrophobicContact CD2-CB 3.85Å; F441-L583 HydrophobicContact CD2-CD2 3.83Å; F441-L583 HydrophobicContact CD2-CG 4.43Å; F441-L583 HydrophobicContact CE1-CB 3.82Å; F441-L583 HydrophobicContact CE2-CB 4.03Å; F441-L583 HydrophobicContact CE2-CD1 4.35Å; F441-L583 HydrophobicContact CE2-CD2 3.77Å; F441-L583 HydrophobicContact CE2-CG 4.29Å; F441-L583 HydrophobicContact CG-CB 3.64Å; F441-L583 HydrophobicContact CG-CD2 4.46Å; F441-L583 HydrophobicContact CZ-CB 3.99Å; F441-L583 HydrophobicContact CZ-CD1 4.12Å; F441-L583 HydrophobicContact CZ-CD2 4.33Å; F441-L583 HydrophobicContact CZ-CG 4.39Å; V443-L583 PolarHBondContact O-N 2.88Å; I444-L583 CarbonylContact C-O 3.48Å; I444-L583 WeakPolarHBondContact CA-O 3.27Å; I444-L583 HydrophobicContact CG1-CB 4.34Å; I444-L583 HydrophobicContact CG1-CD2 4.4Å; M445-L583 PolarHBondContact N-O 2.71Å; L474-L583 HydrophobicContact CD1-CD2 3.55Å; L474-L583 HydrophobicContact CD2-CD2 3.81Å; L474-L583 HydrophobicContact CG-CD2 4.19Å; L583-L585 HydrophobicContact CD1-CD2 4.26Å; L583-L585 HydrophobicContact CD2-CD2 3.86Å; L583-L585 HydrophobicContact CD2-CG 4.33Å; L583-L585 HydrophobicContact CG-CD2 3.99Å; L583-L585 HydrophobicContact CG-CG 4.32Å; L583-W596 WeakPolarHBondContact O-CZ3 3.5Å; L583-I597 CarbonylContact C-O 3.6Å; L583-I597 WeakPolarHBondContact CA-O 3.25Å; L583-I597 HydrophobicContact CD1-CB 4.17Å; L583-I597 HydrophobicContact CD1-CG2 4.22Å; L583-I597 VanDerWaalsContact CD1-O 3.28Å; L583-I597 WeakPolarHBondContact CD1-O 3.36Å; L583-L599 HydrophobicContact CD1-CD1 4.33Å; L583-L599 HydrophobicContact CD1-CG 4.02Å
584	E	98.6	Very high	93.5	Very high	3 Å²	3	35.3 Å²	35.3	1%	0.014	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.8	167.5	-177.9	175	-171.3	0	0	110.3	M445 Y570 N591 W596 I597 T598 L599	M445-E584 HydrophobicContact CE-CB 4.37Å; M445-E584 HydrophobicContact CE-CG 3.55Å; M445-E584 WeakPolarHBondContact CE-OE1 3.43Å; M445-E584 CarbonylContact O-C 3.56Å; M445-E584 WeakPolarHBondContact O-CA 3.41Å; Y570-E584 PolarHBondContact OH-OE1 2.97Å; Y570-E584 VanDerWaalsContact OH-OE1 3.1Å; E584-N591 VanDerWaalsContact OE1-CB 3.26Å; E584-N591 WeakPolarHBondContact OE1-CB 3.42Å; E584-N591 VanDerWaalsContact OE2-CB 3.23Å; E584-N591 WeakPolarHBondContact OE2-CB 3.16Å; E584-W596 HydrophobicContact CB-CE3 3.8Å; E584-W596 HydrophobicContact CB-CZ3 3.98Å; E584-I597 PolarHBondContact N-O 2.83Å; E584-T598 HydrophobicContact CB-CG2 4.15Å; E584-T598 HydrophobicContact CG-CG2 4.26Å; E584-T598 CarbonylContact O-C 3.53Å; E584-T598 WeakPolarHBondContact O-CA 3.2Å; E584-L599 PolarHBondContact O-N 2.72Å
585	L	98.4	Very high	93.3	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	138.9	175.2	-58.4	177.6	0	0	0	109.4	I430 M435 I444 M445 A446 D447 I471 L583 G587 L599	I430-L585 HydrophobicContact CD1-CB 4.08Å; I430-L585 HydrophobicContact CD1-CD2 4.32Å; M435-L585 HydrophobicContact SD-CD2 4.2Å; I444-L585 HydrophobicContact CG2-CD1 3.94Å; I444-L585 HydrophobicContact CG2-CG 4.21Å; M445-L585 PolarHBondContact O-N 2.71Å; A446-L585 WeakPolarHBondContact CA-O 3.18Å; A446-L585 HydrophobicContact CB-CB 3.97Å; A446-L585 HydrophobicContact CB-CD1 4.36Å; D447-L585 PolarHBondContact N-O 3.28Å; I471-L585 HydrophobicContact CD1-CD1 3.35Å; L583-L585 HydrophobicContact CD1-CD2 4.26Å; L583-L585 HydrophobicContact CD2-CD2 3.86Å; L583-L585 HydrophobicContact CD2-CG 4.33Å; L583-L585 HydrophobicContact CG-CD2 3.99Å; L583-L585 HydrophobicContact CG-CG 4.32Å; L585-G587 PolarHBondContact O-N 3.24Å; L585-L599 HydrophobicContact CD2-CB 4.28Å; L585-L599 HydrophobicContact CD2-CD1 3.66Å; L585-L599 HydrophobicContact CD2-CG 4.18Å
586	F	97.2	Very high	93.6	Very high	34 Å²	34	27.5 Å²	27.5	15%	0.149	15%	0.146	C	C	.	.	S	Bend	trans	66.2	23.5	-177.2	-47.8	-81.7	0	0	0	113.4	I430 A446 D447 P448 P449 M461 L469 L599	I430-F586 HydrophobicContact CB-CE1 4Å; I430-F586 HydrophobicContact CB-CZ 4.27Å; I430-F586 HydrophobicContact CD1-CB 4.44Å; I430-F586 HydrophobicContact CD1-CD1 3.63Å; I430-F586 HydrophobicContact CD1-CD2 4.14Å; I430-F586 HydrophobicContact CD1-CE1 3.77Å; I430-F586 HydrophobicContact CD1-CE2 4.26Å; I430-F586 HydrophobicContact CD1-CG 3.82Å; I430-F586 HydrophobicContact CD1-CZ 4.08Å; I430-F586 HydrophobicContact CG1-CD1 4.41Å; I430-F586 HydrophobicContact CG1-CE1 4.26Å; I430-F586 HydrophobicContact CG2-CE1 4.33Å; I430-F586 HydrophobicContact CG2-CZ 4.09Å; A446-F586 HydrophobicContact CB-CD2 4.41Å; D447-F586 VanDerWaalsContact O-CB 3.24Å; D447-F586 WeakPolarHBondContact O-CB 3.21Å; P448-F586 HydrophobicContact CB-CD2 4.03Å; P448-F586 HydrophobicContact CB-CE2 3.88Å; P448-F586 HydrophobicContact CB-CZ 4.29Å; P448-F586 HydrophobicContact CG-CD2 4Å; P448-F586 HydrophobicContact CG-CE2 3.86Å; P449-F586 VanDerWaalsContact CD-CD1 3.46Å; P449-F586 HydrophobicContact CG-CD1 4.32Å; M461-F586 HydrophobicContact CE-CE1 3.58Å; M461-F586 HydrophobicContact CE-CZ 3.9Å; L469-F586 HydrophobicContact CD1-CE2 4.28Å; L469-F586 HydrophobicContact CD1-CZ 3.85Å; F586-L599 CarbonylContact C-O 3.51Å; F586-L599 WeakPolarHBondContact CA-O 3.45Å; F586-L599 PolarHBondContact N-O 3.12Å
587	G	96.3	Very high	93.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.01	14%	0.14	C	C	.	.			trans	-76.9	158.4	-179.7	0	0	0	0	0	113.3	L585 L599	L585-G587 PolarHBondContact O-N 3.24Å; G587-L599 PolarHBondContact N-O 3.26Å
588	R	94.9	Very high	94.1	Very high	42 Å²	42	26.3 Å²	26.3	16%	0.158	14%	0.139	C	C	.	.			trans	-119	172.4	-178.5	-65.5	177.7	-69.1	-174.2	-6.1	110.2	T562 S563 H590 N591 Q602	T562-R588 PolarHBondContact O-NH1 3.29Å; S563-R588 PolarHBondContact O-NH2 2.63Å; R588-H590 VanDerWaalsContact C-N 3.25Å; R588-H590 PolarHBondContact NE-CE1 2.71Å; R588-H590 PolarHBondContact NE-NE2 3.08Å; R588-H590 PolarHBondContact NH2-NE2 3.31Å; R588-H590 PolarHBondContact O-N 2.98Å; R588-H590 VanDerWaalsContact O-N 3.15Å; R588-N591 WeakPolarHBondContact CB-OD1 3.49Å; R588-N591 PolarHBondContact N-OD1 3.2Å; R588-N591 VanDerWaalsContact O-CB 3.32Å; R588-N591 WeakPolarHBondContact O-CB 2.97Å; R588-N591 PolarHBondContact O-N 2.76Å; R588-Q602 HydrophobicContact CG-CB 4.43Å; R588-Q602 VanDerWaalsContact CG-OE1 3.24Å
589	P	94	Very high	94.6	Very high	72 Å²	72	24.9 Å²	24.9	47%	0.468	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-55.6	-33.7	-177.9	-30.5	37.2	0	0	0	115.4	N591 L592 Q602 L603	P589-N591 PolarHBondContact O-N 3.47Å; P589-L592 VanDerWaalsContact O-CG 3.31Å; P589-L592 WeakPolarHBondContact O-CG 3.41Å; P589-L592 PolarHBondContact O-N 2.91Å; P589-Q602 WeakPolarHBondContact CD-O 3.43Å; P589-Q602 WeakPolarHBondContact CG-O 3.47Å; P589-L603 HydrophobicContact CG-CD2 4.49Å
590	H	91.7	Very high	95.2	Very high	77 Å²	77	24.1 Å²	24.1	36%	0.356	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-74.2	-10.2	176.9	58.3	-97.9	0	0	0	113.7	H564 R588	H564-H590 AromaticContact CD2-CD2 3.54Å; H564-H590 AromaticContact CD2-NE2 3.53Å; H564-H590 AromaticContact CE1-CD2 3.51Å; H564-H590 AromaticContact CE1-CG 3.88Å; H564-H590 AromaticContact CE1-NE2 3.96Å; H564-H590 AromaticContact CG-NE2 3.9Å; H564-H590 AromaticContact NE2-CD2 3.08Å; H564-H590 PolarHBondContact NE2-CD2 3.29Å; H564-H590 AromaticContact NE2-CG 3.87Å; H564-H590 AromaticContact NE2-NE2 3.59Å; R588-H590 VanDerWaalsContact C-N 3.25Å; R588-H590 PolarHBondContact NE-CE1 2.71Å; R588-H590 PolarHBondContact NE-NE2 3.08Å; R588-H590 PolarHBondContact NH2-NE2 3.31Å; R588-H590 PolarHBondContact O-N 2.98Å; R588-H590 VanDerWaalsContact O-N 3.15Å
591	N	95.2	Very high	95.4	Very high	7 Å²	7	28.1 Å²	28.1	4%	0.037	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-90.1	-7.3	178.5	-56	125.9	0	0	0	113.2	Y570 E584 R588 P589 Q593	Y570-N591 VanDerWaalsContact OH-CB 3.28Å; Y570-N591 WeakPolarHBondContact OH-CB 3.22Å; Y570-N591 PolarHBondContact OH-ND2 3.36Å; E584-N591 VanDerWaalsContact OE1-CB 3.26Å; E584-N591 WeakPolarHBondContact OE1-CB 3.42Å; E584-N591 VanDerWaalsContact OE2-CB 3.23Å; E584-N591 WeakPolarHBondContact OE2-CB 3.16Å; R588-N591 WeakPolarHBondContact CB-OD1 3.49Å; R588-N591 PolarHBondContact N-OD1 3.2Å; R588-N591 VanDerWaalsContact O-CB 3.32Å; R588-N591 WeakPolarHBondContact O-CB 2.97Å; R588-N591 PolarHBondContact O-N 2.76Å; P589-N591 PolarHBondContact O-N 3.47Å; N591-Q593 WeakPolarHBondContact O-CG 3.43Å; N591-Q593 PolarHBondContact O-N 3.47Å
592	L	95.5	Very high	95.5	Very high	45 Å²	45	30.3 Å²	30.3	24%	0.236	16%	0.156	C	C	.	.			trans	-61.2	111.5	-175.7	-65.3	-179.5	0	0	0	111.9	P423 W425 P589 T598 L603	P423-L592 HydrophobicContact CB-CB 4.04Å; W425-L592 HydrophobicContact CB-CD2 3.74Å; W425-L592 HydrophobicContact CD2-CD1 4Å; W425-L592 HydrophobicContact CD2-CD2 4.05Å; W425-L592 HydrophobicContact CE3-CD1 3.67Å; W425-L592 HydrophobicContact CE3-CD2 3.79Å; W425-L592 HydrophobicContact CE3-CG 4.33Å; W425-L592 HydrophobicContact CG-CD2 4.08Å; W425-L592 HydrophobicContact CH2-CD1 4.4Å; W425-L592 HydrophobicContact CZ3-CD1 3.9Å; P589-L592 VanDerWaalsContact O-CG 3.31Å; P589-L592 WeakPolarHBondContact O-CG 3.41Å; P589-L592 PolarHBondContact O-N 2.91Å; L592-T598 HydrophobicContact CD2-CG2 4.29Å; L592-L603 HydrophobicContact CD2-CD2 3.92Å; L592-L603 HydrophobicContact CG-CD2 4.46Å
593	Q	93.4	Very high	95.4	Very high	52 Å²	52	30.6 Å²	30.6	24%	0.243	16%	0.157	C	C	.	.			trans	-112.8	146.7	178.3	-66	-52.4	-39	0	0	112.3	P423 Y570 N591 W596	P423-Q593 WeakPolarHBondContact CA-O 3.5Å; Y570-Q593 HydrophobicContact CD1-CG 3.46Å; Y570-Q593 VanDerWaalsContact CD1-CG 3.46Å; Y570-Q593 HydrophobicContact CD2-CG 4.16Å; Y570-Q593 HydrophobicContact CE1-CG 3.82Å; Y570-Q593 HydrophobicContact CG-CG 3.66Å; N591-Q593 WeakPolarHBondContact O-CG 3.43Å; N591-Q593 PolarHBondContact O-N 3.47Å; Q593-W596 HydrophobicContact CB-CB 4.15Å; Q593-W596 HydrophobicContact CB-CD2 4.37Å; Q593-W596 HydrophobicContact CB-CG 3.72Å; Q593-W596 WeakPolarHBondContact O-CB 3.3Å; Q593-W596 PolarHBondContact O-N 3.06Å
594	P	89.7	Confident	95.1	Very high	51 Å²	51	35.7 Å²	35.7	33%	0.331	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	140.4	171.3	-26.6	36.5	0	0	0	112.8	Y345 P423 W596	Y345-P594 HydrophobicContact CE1-CB 4.19Å; Y345-P594 WeakPolarHBondContact OH-CB 3.26Å; Y345-P594 WeakPolarHBondContact OH-CG 3.45Å; P423-P594 HydrophobicContact CG-CG 4.39Å; P594-W596 VanDerWaalsContact O-CD1 3.26Å; P594-W596 PolarHBondContact O-N 2.82Å
595	N	89.7	Confident	94.9	Very high	8 Å²	8	36.3 Å²	36.3	4%	0.043	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	10.7	-177.5	-153.6	42	0	0	0	115.1	L420 Y421 G579 T580 K582	L420-N595 HydrophobicContact CD2-CB 3.85Å; Y421-N595 PolarHBondContact N-OD1 3.4Å; Y421-N595 PolarHBondContact O-N 3.23Å; G579-N595 PolarHBondContact O-ND2 3.47Å; T580-N595 PolarHBondContact O-ND2 3.05Å; K582-N595 PolarHBondContact N-O 3.38Å
596	W	96.5	Very high	94.7	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.015	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	148.8	169.6	-68.4	65.6	0	0	0	110.8	Q424 M445 Y570 I573 K582 L583 E584 Q593 P594	Q424-W596 PolarHBondContact N-O 3.22Å; Q424-W596 VanDerWaalsContact N-O 3.09Å; M445-W596 HydrophobicContact CB-CH2 4Å; M445-W596 HydrophobicContact CB-CZ3 3.78Å; Y570-W596 HydrophobicContact CD1-CH2 4.14Å; Y570-W596 AromaticContact CD1-CZ2 3.88Å; Y570-W596 HydrophobicContact CD1-CZ2 3.88Å; I573-W596 HydrophobicContact CB-CH2 4.49Å; I573-W596 HydrophobicContact CB-CZ2 4.26Å; I573-W596 HydrophobicContact CD1-CH2 3.86Å; I573-W596 HydrophobicContact CD1-CZ2 4.4Å; I573-W596 HydrophobicContact CG2-CH2 3.91Å; I573-W596 HydrophobicContact CG2-CZ2 3.7Å; K582-W596 HydrophobicContact CB-CD2 3.36Å; K582-W596 VanDerWaalsContact CB-CE2 3.47Å; K582-W596 HydrophobicContact CB-CE3 3.65Å; K582-W596 HydrophobicContact CB-CG 3.8Å; K582-W596 HydrophobicContact CB-CH2 4.14Å; K582-W596 HydrophobicContact CB-CZ2 3.89Å; K582-W596 HydrophobicContact CB-CZ3 4.01Å; K582-W596 HydrophobicContact CD-CD2 4.22Å; K582-W596 HydrophobicContact CD-CH2 4.27Å; K582-W596 HydrophobicContact CD-CZ2 3.45Å; K582-W596 VanDerWaalsContact CD-CZ2 3.45Å; K582-W596 HydrophobicContact CG-CD2 4.41Å; K582-W596 HydrophobicContact CG-CZ2 4.22Å; K582-W596 WeakPolarHBondContact O-CA 3.36Å; L583-W596 WeakPolarHBondContact O-CZ3 3.5Å; E584-W596 HydrophobicContact CB-CE3 3.8Å; E584-W596 HydrophobicContact CB-CZ3 3.98Å; Q593-W596 HydrophobicContact CB-CB 4.15Å; Q593-W596 HydrophobicContact CB-CD2 4.37Å; Q593-W596 HydrophobicContact CB-CG 3.72Å; Q593-W596 WeakPolarHBondContact O-CB 3.3Å; Q593-W596 PolarHBondContact O-N 3.06Å; P594-W596 VanDerWaalsContact O-CD1 3.26Å; P594-W596 PolarHBondContact O-N 2.82Å
597	I	97.8	Very high	94.6	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	129.2	157.2	-58.9	-173.1	0	0	0	107	Q424 L438 F441 K582 L583 E584 L599 V613	Q424-I597 HydrophobicContact CB-CG1 4Å; Q424-I597 CarbonylContact O-C 3.58Å; Q424-I597 VanDerWaalsContact O-CA 3.31Å; Q424-I597 WeakPolarHBondContact O-CA 3.49Å; L438-I597 HydrophobicContact CD2-CG2 4.42Å; F441-I597 HydrophobicContact CE1-CB 4.28Å; F441-I597 HydrophobicContact CE1-CD1 4.15Å; F441-I597 HydrophobicContact CE1-CG1 4.23Å; F441-I597 HydrophobicContact CZ-CB 4.35Å; F441-I597 HydrophobicContact CZ-CD1 4.02Å; F441-I597 HydrophobicContact CZ-CG1 4.44Å; K582-I597 PolarHBondContact O-N 3.43Å; L583-I597 CarbonylContact C-O 3.6Å; L583-I597 WeakPolarHBondContact CA-O 3.25Å; L583-I597 HydrophobicContact CD1-CB 4.17Å; L583-I597 HydrophobicContact CD1-CG2 4.22Å; L583-I597 VanDerWaalsContact CD1-O 3.28Å; L583-I597 WeakPolarHBondContact CD1-O 3.36Å; E584-I597 PolarHBondContact N-O 2.83Å; I597-L599 HydrophobicContact CG2-CD2 4.31Å; I597-V613 HydrophobicContact CD1-CG1 4.38Å; I597-V613 HydrophobicContact CD1-CG2 4.21Å
598	T	98.4	Very high	94.6	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.1	178.8	-54.7	0	0	0	0	110.3	Q424 W425 I426 E584 L592 L603	Q424-T598 PolarHBondContact O-N 3.13Å; W425-T598 CarbonylContact C-O 3.32Å; W425-T598 WeakPolarHBondContact CA-O 3.35Å; W425-T598 WeakPolarHBondContact CB-O 3.34Å; I426-T598 PolarHBondContact N-O 2.95Å; E584-T598 HydrophobicContact CB-CG2 4.15Å; E584-T598 HydrophobicContact CG-CG2 4.26Å; E584-T598 CarbonylContact O-C 3.53Å; E584-T598 WeakPolarHBondContact O-CA 3.2Å; L592-T598 HydrophobicContact CD2-CG2 4.29Å; T598-L603 HydrophobicContact CG2-CD1 4.27Å; T598-L603 HydrophobicContact CG2-CD2 4.43Å; T598-L603 WeakPolarHBondContact O-CD1 3.42Å
599	L	98.2	Very high	94.4	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	137.4	173.9	-54.4	-174.2	0	0	0	110.2	I426 I430 M435 L438 L583 E584 L585 F586 G587 I597	I426-L599 HydrophobicContact CB-CD2 3.66Å; I426-L599 HydrophobicContact CD1-CD2 3.83Å; I426-L599 HydrophobicContact CG1-CD2 3.77Å; I430-L599 HydrophobicContact CD1-CB 3.9Å; I430-L599 HydrophobicContact CG1-CB 4.14Å; M435-L599 HydrophobicContact CG-CD1 4.26Å; M435-L599 HydrophobicContact SD-CD1 4.39Å; L438-L599 HydrophobicContact CD1-CD1 3.69Å; L438-L599 HydrophobicContact CD1-CD2 4.07Å; L438-L599 HydrophobicContact CD1-CG 4.24Å; L583-L599 HydrophobicContact CD1-CD1 4.33Å; L583-L599 HydrophobicContact CD1-CG 4.02Å; E584-L599 PolarHBondContact O-N 2.72Å; L585-L599 HydrophobicContact CD2-CB 4.28Å; L585-L599 HydrophobicContact CD2-CD1 3.66Å; L585-L599 HydrophobicContact CD2-CG 4.18Å; F586-L599 CarbonylContact C-O 3.51Å; F586-L599 WeakPolarHBondContact CA-O 3.45Å; F586-L599 PolarHBondContact N-O 3.12Å; G587-L599 PolarHBondContact N-O 3.26Å; I597-L599 HydrophobicContact CG2-CD2 4.31Å
600	G	96.6	Very high	94.3	Very high	1 Å²	1	33 Å²	33	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174	158.1	178.6	0	0	0	0	0	112.3	I426 N427 C428	I426-G600 PolarHBondContact O-N 3.34Å; N427-G600 VanDerWaalsContact CA-O 3.25Å; N427-G600 WeakPolarHBondContact CA-O 3.42Å; C428-G600 PolarHBondContact N-O 2.86Å; C428-G600 VanDerWaalsContact N-O 3.13Å; C428-G600 CarbonylContact O-C 3.52Å
601	N	94.1	Very high	94.2	Very high	116 Å²	116	30.5 Å²	30.5	62%	0.62	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-4.3	-174.7	62.3	-11.1	0	0	0	114	N427 C428	N427-N601 PolarHBondContact ND2-O 2.82Å; C428-N601 PolarHBondContact O-N 2.88Å
602	Q	93.3	Very high	94	Very high	117 Å²	117	32 Å²	32	55%	0.547	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	9.9	-179.9	-58.4	-172.3	-62	0	0	113.3	R588 P589	R588-Q602 HydrophobicContact CG-CB 4.43Å; R588-Q602 VanDerWaalsContact CG-OE1 3.24Å; P589-Q602 WeakPolarHBondContact CD-O 3.43Å; P589-Q602 WeakPolarHBondContact CG-O 3.47Å
603	L	95.3	Very high	94	Very high	6 Å²	6	29.8 Å²	29.8	3%	0.031	16%	0.164	C	C	.	.	S	Bend	trans	-84	153.3	-179.2	-67.1	163	0	0	0	111.5	W425 I426 N427 P589 L592 T598 G605	W425-L603 HydrophobicContact CB-CD1 3.89Å; W425-L603 HydrophobicContact CB-CD2 4.19Å; W425-L603 HydrophobicContact CG-CD1 4.49Å; W425-L603 HydrophobicContact CG-CD2 4.33Å; I426-L603 WeakPolarHBondContact O-CD1 3.36Å; N427-L603 HydrophobicContact CB-CB 4.2Å; N427-L603 WeakPolarHBondContact CB-O 3.47Å; N427-L603 PolarHBondContact ND2-O 3.09Å; P589-L603 HydrophobicContact CG-CD2 4.49Å; L592-L603 HydrophobicContact CD2-CD2 3.92Å; L592-L603 HydrophobicContact CG-CD2 4.46Å; T598-L603 HydrophobicContact CG2-CD1 4.27Å; T598-L603 HydrophobicContact CG2-CD2 4.43Å; T598-L603 WeakPolarHBondContact O-CD1 3.42Å; L603-G605 PolarHBondContact O-N 3.3Å; L603-G605 VanDerWaalsContact O-N 3.13Å
604	D	92.9	Very high	94	Very high	108 Å²	108	27.4 Å²	27.4	58%	0.578	15%	0.153	S	C	*	.	S	Bend	trans	-81.6	95	176.5	-171.5	27.4	0	0	0	110.6	N366 W425	N366-D604 PolarHBondContact ND2-OD2 3.15Å; W425-D604 PolarHBondContact NE1-O 3.37Å
605	G	93.8	Very high	94.3	Very high	16 Å²	16	31.7 Å²	31.7	17%	0.165	17%	0.168	C	C	.	.	S	Bend	trans	61	-150.3	177.2	0	0	0	0	0	114.6	N427 L603	N427-G605 WeakPolarHBondContact CB-O 3.44Å; N427-G605 PolarHBondContact N-O 3.17Å; L603-G605 PolarHBondContact O-N 3.3Å; L603-G605 VanDerWaalsContact O-N 3.13Å
606	T	94.9	Very high	94.6	Very high	9 Å²	9	35.5 Å²	35.5	6%	0.055	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.7	178	-57.4	0	0	0	0	109.3	I426 L608 F617	I426-T606 HydrophobicContact CB-CG2 4.4Å; I426-T606 HydrophobicContact CG1-CG2 4.11Å; I426-T606 HydrophobicContact CG2-CG2 4.12Å; T606-L608 HydrophobicContact CG2-CD1 4.01Å; T606-L608 HydrophobicContact CG2-CG 4.05Å; T606-F617 HydrophobicContact CG2-CE1 4.28Å; T606-F617 HydrophobicContact CG2-CE2 4.16Å; T606-F617 HydrophobicContact CG2-CZ 3.9Å
607	Y	95.2	Very high	94.5	Very high	56 Å²	56	35.6 Å²	35.6	22%	0.22	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	107.6	176.6	-179	-102.2	0	0	0	110.1	V362 P422 P423 Q424 W425 V609	V362-Y607 HydrophobicContact CG1-CD2 3.92Å; V362-Y607 HydrophobicContact CG1-CE2 3.46Å; V362-Y607 VanDerWaalsContact CG1-CE2 3.46Å; P422-Y607 HydrophobicContact CG-CE1 4.41Å; P423-Y607 WeakPolarHBondContact O-CD1 3.34Å; P423-Y607 VanDerWaalsContact O-CE1 3.29Å; P423-Y607 WeakPolarHBondContact O-CE1 3.33Å; Q424-Y607 CarbonylContact C-O 3.54Å; Q424-Y607 WeakPolarHBondContact CA-O 3.4Å; W425-Y607 HydrophobicContact CD2-CD1 4.41Å; W425-Y607 VanDerWaalsContact CE2-CB 3.45Å; W425-Y607 AromaticContact CE3-CD1 3.89Å; W425-Y607 HydrophobicContact CE3-CD1 3.89Å; W425-Y607 HydrophobicContact CE3-CG 4.44Å; W425-Y607 AromaticContact CH2-CD1 3.59Å; W425-Y607 HydrophobicContact CH2-CD1 3.59Å; W425-Y607 HydrophobicContact CH2-CE1 4.28Å; W425-Y607 AromaticContact CH2-CG 3.79Å; W425-Y607 HydrophobicContact CH2-CG 3.79Å; W425-Y607 HydrophobicContact CZ2-CD1 4.15Å; W425-Y607 AromaticContact CZ2-CG 3.91Å; W425-Y607 HydrophobicContact CZ2-CG 3.91Å; W425-Y607 AromaticContact CZ3-CD1 3.44Å; W425-Y607 HydrophobicContact CZ3-CD1 3.44Å; W425-Y607 VanDerWaalsContact CZ3-CD1 3.44Å; W425-Y607 HydrophobicContact CZ3-CE1 4.11Å; W425-Y607 HydrophobicContact CZ3-CG 4.07Å; W425-Y607 PolarHBondContact N-O 3.38Å; W425-Y607 CarbonylContact O-C 3.54Å; W425-Y607 PolarHBondContact O-N 2.89Å; Y607-V609 HydrophobicContact CD1-CG2 4.24Å; Y607-V609 HydrophobicContact CE1-CG2 3.49Å; Y607-V609 VanDerWaalsContact CE1-CG2 3.49Å; Y607-V609 HydrophobicContact CE2-CG2 4.26Å
608	L	94.9	Very high	94.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.198	C	C	.	.			trans	-128	139.6	-179.3	-66.4	171.3	0	0	0	109.5	L363 Q424 I426 T606 V613 V614 F617	L363-L608 HydrophobicContact CD1-CD1 4.48Å; Q424-L608 HydrophobicContact CB-CD2 4.37Å; I426-L608 HydrophobicContact CD1-CD1 4.06Å; I426-L608 HydrophobicContact CD1-CD2 4.2Å; I426-L608 HydrophobicContact CG1-CD1 4.34Å; I426-L608 HydrophobicContact CG1-CD2 4.03Å; I426-L608 HydrophobicContact CG1-CG 4.34Å; T606-L608 HydrophobicContact CG2-CD1 4.01Å; T606-L608 HydrophobicContact CG2-CG 4.05Å; L608-V613 HydrophobicContact CD1-CG1 4.08Å; L608-V613 HydrophobicContact CD2-CG1 4.07Å; L608-V614 HydrophobicContact CB-CG2 3.64Å; L608-F617 HydrophobicContact CD1-CB 3.89Å; L608-F617 HydrophobicContact CD1-CD1 4.45Å; L608-F617 HydrophobicContact CD1-CD2 3.83Å; L608-F617 HydrophobicContact CD1-CG 3.8Å
609	V	91.6	Very high	94.1	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.042	24%	0.236	C	C	.	.			trans	-126.8	-31.2	-174.4	-174.5	0	0	0	0	111.6	V349 Y421 P422 Q424 Y607 P611	V349-V609 HydrophobicContact CB-CG1 4.21Å; V349-V609 HydrophobicContact CG1-CG1 3.88Å; V349-V609 HydrophobicContact CG2-CG1 3.26Å; Y421-V609 HydrophobicContact CD1-CB 4.43Å; Y421-V609 HydrophobicContact CD1-CG1 4.28Å; P422-V609 HydrophobicContact CG-CB 4.23Å; P422-V609 HydrophobicContact CG-CG1 4.27Å; P422-V609 HydrophobicContact CG-CG2 3.84Å; Q424-V609 HydrophobicContact CG-CB 4.3Å; Q424-V609 HydrophobicContact CG-CG2 4.3Å; Y607-V609 HydrophobicContact CD1-CG2 4.24Å; Y607-V609 HydrophobicContact CE1-CG2 3.49Å; Y607-V609 VanDerWaalsContact CE1-CG2 3.49Å; Y607-V609 HydrophobicContact CE2-CG2 4.26Å; V609-P611 WeakPolarHBondContact O-CD 3.43Å; V609-P611 VanDerWaalsContact O-N 3.1Å
610	D	91.2	Very high	93.8	Very high	9 Å²	9	52.4 Å²	52.4	5%	0.048	26%	0.257	C	S	.	.			trans	-58.6	108	171.6	-179.8	-21.5	0	0	0	109.3	Y421 R581 A612 V613 V614	Y421-D610 HydrophobicContact CD1-CB 4.47Å; Y421-D610 HydrophobicContact CE1-CB 4.17Å; Y421-D610 HydrophobicContact CE2-CB 4.36Å; R581-D610 IonicContact CZ-OD2 2.75Å; R581-D610 IonicContact NE-OD2 2.55Å; R581-D610 IonicContact NH2-OD2 3.68Å; R581-D610 PolarHBondContact NH2-OD2 2.94Å; D610-A612 PolarHBondContact O-N 2.9Å; D610-A612 PolarHBondContact OD1-N 3.42Å; D610-A612 VanDerWaalsContact OD1-N 3.09Å; D610-V613 HydrophobicContact CB-CB 4.06Å; D610-V613 HydrophobicContact CB-CG2 3.89Å; D610-V613 PolarHBondContact O-N 3.28Å; D610-V613 PolarHBondContact OD1-N 2.9Å; D610-V613 WeakPolarHBondContact OD2-CG2 3.26Å; D610-V614 WeakPolarHBondContact O-CG2 3.49Å; D610-V614 PolarHBondContact O-N 3.22Å
611	P	89.9	Confident	93.7	Very high	23 Å²	23	54.2 Å²	54.2	15%	0.149	26%	0.263	C	S	.	.	H	α-helix	trans	-53	-38.8	-176.3	-26.6	34.7	0	0	0	113.6	Q352 V609 V614 E615	Q352-P611 HydrophobicContact CB-CG 4.41Å; Q352-P611 VanDerWaalsContact OE1-CG 3.23Å; V609-P611 WeakPolarHBondContact O-CD 3.43Å; V609-P611 VanDerWaalsContact O-N 3.1Å; P611-V614 PolarHBondContact O-N 2.86Å; P611-E615 WeakPolarHBondContact O-CB 3.3Å; P611-E615 PolarHBondContact O-N 2.8Å
612	A	91.2	Very high	93.4	Very high	38 Å²	38	53.5 Å²	53.5	31%	0.314	27%	0.265	S	S	.	.	H	α-helix	trans	-69.8	-36.6	-178.8	0	0	0	0	0	111.3	D610 R616	D610-A612 PolarHBondContact O-N 2.9Å; D610-A612 PolarHBondContact OD1-N 3.42Å; D610-A612 VanDerWaalsContact OD1-N 3.09Å; A612-R616 WeakPolarHBondContact O-CG 3.44Å; A612-R616 VanDerWaalsContact O-CZ 3.3Å; A612-R616 PolarHBondContact O-N 3.3Å; A612-R616 PolarHBondContact O-NH1 3.22Å
613	V	94.4	Very high	93.1	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-72.3	-42.3	174.4	-177.4	0	0	0	0	110.5	L438 R581 I597 L608 D610 E615 R616 F617	L438-V613 HydrophobicContact CD2-CG1 3.99Å; R581-V613 VanDerWaalsContact NH2-CG2 3.26Å; I597-V613 HydrophobicContact CD1-CG1 4.38Å; I597-V613 HydrophobicContact CD1-CG2 4.21Å; L608-V613 HydrophobicContact CD1-CG1 4.08Å; L608-V613 HydrophobicContact CD2-CG1 4.07Å; D610-V613 HydrophobicContact CB-CB 4.06Å; D610-V613 HydrophobicContact CB-CG2 3.89Å; D610-V613 PolarHBondContact O-N 3.28Å; D610-V613 PolarHBondContact OD1-N 2.9Å; D610-V613 WeakPolarHBondContact OD2-CG2 3.26Å; V613-E615 VanDerWaalsContact C-N 3.33Å; V613-E615 PolarHBondContact O-N 3.14Å; V613-R616 PolarHBondContact O-N 3.06Å; V613-F617 VanDerWaalsContact O-CB 3.27Å; V613-F617 WeakPolarHBondContact O-CB 3.2Å; V613-F617 PolarHBondContact O-N 3.39Å
614	V	94.4	Very high	92.5	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.012	28%	0.283	C	S	.	.	H	α-helix	trans	-58	-45.4	176.9	170.4	0	0	0	0	111.2	N361 L363 L608 D610 P611 F617 K618	N361-V614 HydrophobicContact CB-CG1 4.25Å; N361-V614 WeakPolarHBondContact O-CG1 3.07Å; N361-V614 WeakPolarHBondContact O-CG2 3.48Å; L363-V614 HydrophobicContact CD1-CG1 4.24Å; L608-V614 HydrophobicContact CB-CG2 3.64Å; D610-V614 WeakPolarHBondContact O-CG2 3.49Å; D610-V614 PolarHBondContact O-N 3.22Å; P611-V614 PolarHBondContact O-N 2.86Å; V614-F617 PolarHBondContact O-N 3.23Å; V614-K618 HydrophobicContact CG1-CD 4.02Å; V614-K618 HydrophobicContact CG1-CG 4.46Å; V614-K618 WeakPolarHBondContact O-CB 3.46Å; V614-K618 WeakPolarHBondContact O-CG 3.5Å; V614-K618 PolarHBondContact O-N 3.4Å
615	E	95.2	Very high	92.1	Very high	140 Å²	140	52 Å²	52	65%	0.654	26%	0.264	S	S	*	.	H	α-helix	trans	-60.9	-50.6	178.4	-176.3	-178.2	-177.4	0	0	111.4	P611 V613 F617 K618 K619	P611-E615 WeakPolarHBondContact O-CB 3.3Å; P611-E615 PolarHBondContact O-N 2.8Å; V613-E615 VanDerWaalsContact C-N 3.33Å; V613-E615 PolarHBondContact O-N 3.14Å; E615-F617 VanDerWaalsContact C-N 3.33Å; E615-F617 PolarHBondContact O-N 2.72Å; E615-K618 PolarHBondContact O-N 3.32Å; E615-K619 WeakPolarHBondContact O-CB 3.24Å; E615-K619 PolarHBondContact O-N 3.31Å
616	R	96.1	Very high	90.8	Very high	89 Å²	89	57.8 Å²	57.8	34%	0.336	29%	0.291	S	S	.	.	H	α-helix	trans	-63.4	-39.5	178.4	-69	-170.9	-58.1	-90.3	-2.2	112	I437 L438 A612 V613 K619 H620	I437-R616 HydrophobicContact CB-CB 4.11Å; I437-R616 PolarHBondContact O-NE 3.05Å; I437-R616 PolarHBondContact O-NH2 3.41Å; L438-R616 PolarHBondContact O-NH2 3.24Å; A612-R616 WeakPolarHBondContact O-CG 3.44Å; A612-R616 VanDerWaalsContact O-CZ 3.3Å; A612-R616 PolarHBondContact O-N 3.3Å; A612-R616 PolarHBondContact O-NH1 3.22Å; V613-R616 PolarHBondContact O-N 3.06Å; R616-K619 PolarHBondContact O-N 3.18Å; R616-H620 WeakPolarHBondContact O-CB 3.5Å; R616-H620 PolarHBondContact O-N 3.19Å
617	F	95.1	Very high	89.1	Confident	5 Å²	5	62 Å²	62	2%	0.022	31%	0.312	C	S	.	.	H	α-helix	trans	-61.9	-51.3	176.1	-174.8	-84.2	0	0	0	111.4	L363 I426 I437 T606 L608 V613 V614 E615 K619 H620 Y621 L625	L363-F617 HydrophobicContact CD1-CD1 3.69Å; L363-F617 HydrophobicContact CD1-CE1 4.17Å; L363-F617 HydrophobicContact CD1-CG 4.45Å; I426-F617 HydrophobicContact CD1-CD2 4.05Å; I426-F617 HydrophobicContact CD1-CE2 4.06Å; I426-F617 HydrophobicContact CG2-CE2 4.09Å; I437-F617 HydrophobicContact CD1-CB 4.03Å; I437-F617 HydrophobicContact CD1-CD2 3.51Å; I437-F617 HydrophobicContact CD1-CE2 4.39Å; I437-F617 HydrophobicContact CD1-CG 4.18Å; T606-F617 HydrophobicContact CG2-CE1 4.28Å; T606-F617 HydrophobicContact CG2-CE2 4.16Å; T606-F617 HydrophobicContact CG2-CZ 3.9Å; L608-F617 HydrophobicContact CD1-CB 3.89Å; L608-F617 HydrophobicContact CD1-CD1 4.45Å; L608-F617 HydrophobicContact CD1-CD2 3.83Å; L608-F617 HydrophobicContact CD1-CG 3.8Å; V613-F617 VanDerWaalsContact O-CB 3.27Å; V613-F617 WeakPolarHBondContact O-CB 3.2Å; V613-F617 PolarHBondContact O-N 3.39Å; V614-F617 PolarHBondContact O-N 3.23Å; E615-F617 VanDerWaalsContact C-N 3.33Å; E615-F617 PolarHBondContact O-N 2.72Å; F617-K619 VanDerWaalsContact C-N 3.28Å; F617-K619 PolarHBondContact O-N 3.33Å; F617-H620 PolarHBondContact O-N 3.19Å; F617-Y621 AromaticContact CD2-CD2 3.95Å; F617-Y621 HydrophobicContact CD2-CD2 3.95Å; F617-Y621 AromaticContact CE2-CD2 3.85Å; F617-Y621 HydrophobicContact CE2-CD2 3.85Å; F617-Y621 HydrophobicContact CE2-CE2 4.49Å; F617-Y621 HydrophobicContact CG-CD2 4.41Å; F617-Y621 HydrophobicContact CZ-CD2 4.25Å; F617-Y621 WeakPolarHBondContact O-CA 3.41Å; F617-Y621 PolarHBondContact O-N 3.08Å; F617-L625 HydrophobicContact CE2-CD1 4.08Å; F617-L625 HydrophobicContact CE2-CG 4.19Å; F617-L625 HydrophobicContact CZ-CD1 4.19Å; F617-L625 HydrophobicContact CZ-CG 4Å
618	K	93.5	Very high	86.6	Confident	81 Å²	81	68.5 Å²	68.5	35%	0.352	34%	0.342	S	S	.	.	H	α-helix	trans	-62.7	-35.3	178.9	-74	178.5	177.9	175.3	0	112.4	L363 V614 E615 P622	L363-K618 HydrophobicContact CD1-CG 4.21Å; L363-K618 HydrophobicContact CD2-CG 4.39Å; V614-K618 HydrophobicContact CG1-CD 4.02Å; V614-K618 HydrophobicContact CG1-CG 4.46Å; V614-K618 WeakPolarHBondContact O-CB 3.46Å; V614-K618 WeakPolarHBondContact O-CG 3.5Å; V614-K618 PolarHBondContact O-N 3.4Å; E615-K618 PolarHBondContact O-N 3.32Å; K618-P622 VanDerWaalsContact O-CA 3.29Å; K618-P622 WeakPolarHBondContact O-CA 3.26Å
619	K	93.8	Very high	84.1	Confident	182 Å²	182	73.6 Å²	73.6	79%	0.791	37%	0.373	S	S	*	.	H	α-helix	trans	-66.2	-40.3	176.3	-176.4	177.7	179.5	178.5	0	112.2	E615 R616 F617	E615-K619 WeakPolarHBondContact O-CB 3.24Å; E615-K619 PolarHBondContact O-N 3.31Å; R616-K619 PolarHBondContact O-N 3.18Å; F617-K619 VanDerWaalsContact C-N 3.28Å; F617-K619 PolarHBondContact O-N 3.33Å
620	H	93.3	Very high	81.3	Confident	96 Å²	96	86.6 Å²	86.6	44%	0.444	43%	0.429	S	S	.	.	H	α-helix	trans	-87.4	-32.8	-176.1	-142.3	73.9	0	0	0	113.1	N434 I437 R616 F617 P622	N434-H620 PolarHBondContact ND2-CE1 3.14Å; N434-H620 PolarHBondContact ND2-NE2 3.39Å; I437-H620 HydrophobicContact CG2-CB 3.97Å; R616-H620 WeakPolarHBondContact O-CB 3.5Å; R616-H620 PolarHBondContact O-N 3.19Å; F617-H620 PolarHBondContact O-N 3.19Å; H620-P622 VanDerWaalsContact C-CD 3.47Å; H620-P622 WeakPolarHBondContact O-CD 3.37Å
621	Y	93.3	Very high	80.8	Confident	38 Å²	38	90.5 Å²	90.5	15%	0.149	45%	0.448	C	S	.	.			trans	-126.6	66.8	-178.4	-55.7	-67.3	0	0	0	110.8	I433 N434 I437 F617 N623 G624 L625	I433-Y621 HydrophobicContact CG1-CE2 4.3Å; N434-Y621 WeakPolarHBondContact CB-OH 3.34Å; N434-Y621 PolarHBondContact N-OH 3.43Å; I437-Y621 HydrophobicContact CD1-CD2 3.98Å; I437-Y621 HydrophobicContact CD1-CE2 3.65Å; F617-Y621 AromaticContact CD2-CD2 3.95Å; F617-Y621 HydrophobicContact CD2-CD2 3.95Å; F617-Y621 AromaticContact CE2-CD2 3.85Å; F617-Y621 HydrophobicContact CE2-CD2 3.85Å; F617-Y621 HydrophobicContact CE2-CE2 4.49Å; F617-Y621 HydrophobicContact CG-CD2 4.41Å; F617-Y621 HydrophobicContact CZ-CD2 4.25Å; F617-Y621 WeakPolarHBondContact O-CA 3.41Å; F617-Y621 PolarHBondContact O-N 3.08Å; Y621-N623 PolarHBondContact O-N 3.38Å; Y621-G624 PolarHBondContact O-N 3.12Å; Y621-L625 HydrophobicContact CD1-CD2 3.65Å; Y621-L625 HydrophobicContact CD2-CD2 4Å; Y621-L625 HydrophobicContact CE1-CD2 3.58Å; Y621-L625 HydrophobicContact CE2-CD2 3.92Å; Y621-L625 HydrophobicContact CG-CD2 3.86Å; Y621-L625 HydrophobicContact CG-CG 4.45Å
622	P	89	Confident	80.3	Confident	101 Å²	101	94 Å²	94	66%	0.656	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-28.9	-175.6	25	-34.7	0	0	0	113.2	K618 H620 G624	K618-P622 VanDerWaalsContact O-CA 3.29Å; K618-P622 WeakPolarHBondContact O-CA 3.26Å; H620-P622 VanDerWaalsContact C-CD 3.47Å; H620-P622 WeakPolarHBondContact O-CD 3.37Å; P622-G624 VanDerWaalsContact C-N 3.35Å
623	N	86.5	Confident	79.7	Confident	150 Å²	150	97.1 Å²	97.1	80%	0.802	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	7.6	177.7	-60.3	-31.2	0	0	0	112.9	Y621	Y621-N623 PolarHBondContact O-N 3.38Å
624	G	82.7	Confident	78.8	Confident	15 Å²	15	102.8 Å²	102.8	16%	0.155	50%	0.5	C	S	.	.			trans	80	-179.4	-165.3	0	0	0	0	0	112.3	Y621 P622	Y621-G624 PolarHBondContact O-N 3.12Å; P622-G624 VanDerWaalsContact C-N 3.35Å
625	L	83.9	Confident	77.9	Confident	34 Å²	34	109.1 Å²	109.1	18%	0.178	53%	0.53	C	S	.	.			trans	-76.8	127.2	169.2	-69.2	167.3	0	0	0	108.2	I426 N427 C428 I433 F617 Y621 I627	I426-L625 HydrophobicContact CG2-CD1 3.37Å; N427-L625 WeakPolarHBondContact O-CD1 3.26Å; C428-L625 HydrophobicContact CB-CD1 3.81Å; I433-L625 HydrophobicContact CD1-CD1 4.22Å; I433-L625 HydrophobicContact CG1-CD2 4.49Å; F617-L625 HydrophobicContact CE2-CD1 4.08Å; F617-L625 HydrophobicContact CE2-CG 4.19Å; F617-L625 HydrophobicContact CZ-CD1 4.19Å; F617-L625 HydrophobicContact CZ-CG 4Å; Y621-L625 HydrophobicContact CD1-CD2 3.65Å; Y621-L625 HydrophobicContact CD2-CD2 4Å; Y621-L625 HydrophobicContact CE1-CD2 3.58Å; Y621-L625 HydrophobicContact CE2-CD2 3.92Å; Y621-L625 HydrophobicContact CG-CD2 3.86Å; Y621-L625 HydrophobicContact CG-CG 4.45Å; L625-I627 VanDerWaalsContact C-N 3.26Å; L625-I627 HydrophobicContact CB-CG1 4.16Å; L625-I627 PolarHBondContact O-N 3.49Å
626	D	66.6	Low	76.7	Confident	138 Å²	138	107.1 Å²	107.1	74%	0.738	52%	0.522	S	S	*	.			trans	-70.4	84.9	171.9	-88.1	-37.6	0	0	0	109	K628	D626-K628 PolarHBondContact O-N 3.21Å
627	I	59.2	Low	75.3	Confident	97 Å²	97	108.4 Å²	108.4	50%	0.497	54%	0.535	S	S	.	.			trans	-79.1	40.2	176.3	-45.6	164.9	0	0	0	109.9	N427 L625 V629	N427-I627 HydrophobicContact CB-CD1 4.06Å; L625-I627 VanDerWaalsContact C-N 3.26Å; L625-I627 HydrophobicContact CB-CG1 4.16Å; L625-I627 PolarHBondContact O-N 3.49Å; I627-V629 VanDerWaalsContact C-N 3.32Å; I627-V629 PolarHBondContact O-N 3.43Å
628	K	42.7	Very low	73.8	Confident	193 Å²	193	116.3 Å²	116.3	84%	0.839	57%	0.574	S	S	*	*			trans	-91.7	71.2	167.8	-75.6	-171	179.9	176.5	0	108.8	D626	D626-K628 PolarHBondContact O-N 3.21Å
629	V	43.7	Very low	72.2	Confident	107 Å²	107	119.3 Å²	119.3	65%	0.648	59%	0.593	S	S	*	*			trans	-118.2	111.4	160.1	-171.9	0	0	0	0	106.2	I627	I627-V629 VanDerWaalsContact C-N 3.32Å; I627-V629 PolarHBondContact O-N 3.43Å
630	K	31.4	Very low	70.2	Confident	280 Å²	280	113.5 Å²	113.5	100%	1.217	58%	0.575	S	S	*	*			trans	-61.4	0	-179.3	-82.1	-179.4	173.5	179.5	0	111.9

Retrieved 630 of 630 residues in 122.7 ms (Link to these results)

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