A0A3Q0KS24_SCHMA Loading...

Translation initiation factor eIF2B subunit delta AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KS24, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 541 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.8	Very low	40.7	Very low	247 Å²	247	157.1 Å²	157.1	100%	1.217	85%	0.85	S	S	*	*				0	133.2	0	-84.9	162.1	148.5	0	0	107.5
2	K	33.3	Very low	43.3	Very low	197 Å²	197	154.2 Å²	154.2	86%	0.857	82%	0.824	S	S	*	*			trans	-65.5	135.2	-175.3	-65.3	172.3	175.4	177.3	0	109.7
3	D	35.4	Very low	46	Very low	164 Å²	164	148.2 Å²	148.2	88%	0.877	80%	0.802	S	S	*	*			trans	-138.7	93.7	149.3	-85.6	-36.5	0	0	0	108.2
4	S	35.6	Very low	48.3	Very low	112 Å²	112	150.7 Å²	150.7	78%	0.783	80%	0.801	S	S	*	*			trans	-82.4	109.2	170.1	48	0	0	0	0	108.6
5	V	38.7	Very low	50.5	Low	131 Å²	131	145.4 Å²	145.4	79%	0.794	79%	0.787	S	S	*	*			trans	-107.7	105.1	165.6	178.3	0	0	0	0	108.1	K7	V5-K7 PolarHBondContact O-N 3.05Å
6	S	38.1	Very low	52.7	Low	107 Å²	107	143.1 Å²	143.1	75%	0.748	77%	0.77	S	S	*	*			trans	-58.8	116.3	173.4	46.9	0	0	0	0	111.5
7	K	37.4	Very low	54.7	Low	185 Å²	185	139.9 Å²	139.9	80%	0.804	75%	0.752	S	S	*	*			trans	-96.9	100.1	161.9	-76.1	-175.7	177	179.3	0	108.2	V5 D9	V5-K7 PolarHBondContact O-N 3.05Å; K7-D9 PolarHBondContact O-N 2.98Å
8	E	39.6	Very low	56.6	Low	185 Å²	185	139.6 Å²	139.6	86%	0.864	74%	0.742	S	S	*	*			trans	-75.1	97.7	164.9	-76.9	-177.6	154.5	0	0	108.4	N10	E8-N10 PolarHBondContact O-N 3.16Å
9	D	44.5	Very low	58.2	Low	146 Å²	146	135.4 Å²	135.4	78%	0.781	73%	0.73	S	S	*	*			trans	-72.2	97.3	172.6	-78.4	-30.5	0	0	0	109.5	K7 A11	K7-D9 PolarHBondContact O-N 2.98Å; D9-A11 VanDerWaalsContact C-N 3.27Å; D9-A11 PolarHBondContact O-N 2.78Å
10	N	50.2	Low	59.7	Low	161 Å²	161	133.2 Å²	133.2	86%	0.861	71%	0.714	S	S	*	*			trans	-69.8	80.7	176.2	-147.2	-12.7	0	0	0	109.6	E8 K12	E8-N10 PolarHBondContact O-N 3.16Å; N10-K12 PolarHBondContact O-N 3.41Å
11	A	56.8	Low	61.2	Low	93 Å²	93	136 Å²	136	77%	0.769	72%	0.715	S	S	*	*			trans	-69.9	98.6	-176.4	0	0	0	0	0	111.1	D9 S13	D9-A11 VanDerWaalsContact C-N 3.27Å; D9-A11 PolarHBondContact O-N 2.78Å; A11-S13 PolarHBondContact O-N 2.84Å
12	K	72.3	Confident	63.8	Low	122 Å²	122	132 Å²	132	53%	0.53	69%	0.686	S	S	.	*			trans	-55.8	129.1	174.3	-69.5	-179	179.3	177.3	0	110.9	N10	N10-K12 PolarHBondContact O-N 3.41Å
13	S	78.3	Confident	66.5	Low	77 Å²	77	125.5 Å²	125.5	54%	0.538	67%	0.669	S	S	.	*			trans	-59.5	146	179.7	170.7	0	0	0	0	112.1	A11 A15 Q16 L17	A11-S13 PolarHBondContact O-N 2.84Å; S13-A15 PolarHBondContact O-N 3.46Å; S13-Q16 WeakPolarHBondContact O-CA 3.09Å; S13-Q16 WeakPolarHBondContact O-CB 3.41Å; S13-Q16 PolarHBondContact O-N 3.29Å; S13-L17 PolarHBondContact O-N 3.25Å
14	K	77.7	Confident	69.1	Low	183 Å²	183	121.9 Å²	121.9	80%	0.796	65%	0.649	S	S	*	*	H	α-helix	trans	-51.1	-31.6	178.4	-172.6	176.7	-178.7	177.1	0	113.4	K18	K14-K18 PolarHBondContact O-N 3.12Å
15	A	81.9	Confident	71.7	Confident	71 Å²	71	121.7 Å²	121.7	59%	0.587	64%	0.636	S	S	*	*	H	α-helix	trans	-65.5	-39.7	175.5	0	0	0	0	0	112.1	S13 K18 A19	S13-A15 PolarHBondContact O-N 3.46Å; A15-K18 PolarHBondContact O-N 3.43Å; A15-A19 PolarHBondContact O-N 2.76Å
16	Q	84.9	Confident	74.2	Confident	109 Å²	109	122.2 Å²	122.2	51%	0.509	63%	0.629	S	S	.	*	H	α-helix	trans	-66.6	-42.9	179.5	-142.9	171.6	8	0	0	110.9	S13 K18 A19 E20	S13-Q16 WeakPolarHBondContact O-CA 3.09Å; S13-Q16 WeakPolarHBondContact O-CB 3.41Å; S13-Q16 PolarHBondContact O-N 3.29Å; Q16-K18 VanDerWaalsContact C-N 3.31Å; Q16-K18 PolarHBondContact O-N 3.26Å; Q16-A19 PolarHBondContact O-N 3.35Å; Q16-E20 WeakPolarHBondContact O-CB 3.4Å; Q16-E20 PolarHBondContact O-N 2.83Å
17	L	87	Confident	76.7	Confident	88 Å²	88	120 Å²	120	46%	0.461	62%	0.618	S	S	.	*	H	α-helix	trans	-63	-34.7	174.5	-69.3	171.7	0	0	0	113	S13 R21	S13-L17 PolarHBondContact O-N 3.25Å; L17-R21 WeakPolarHBondContact O-CG 3.34Å; L17-R21 PolarHBondContact O-N 2.8Å
18	K	88.3	Confident	79.3	Confident	134 Å²	134	116.8 Å²	116.8	58%	0.583	61%	0.605	S	S	*	*	H	α-helix	trans	-72.9	-37.6	177.6	-166.4	175.4	-178.3	179.4	0	111.7	K14 A15 Q16 R22	K14-K18 PolarHBondContact O-N 3.12Å; A15-K18 PolarHBondContact O-N 3.43Å; Q16-K18 VanDerWaalsContact C-N 3.31Å; Q16-K18 PolarHBondContact O-N 3.26Å; K18-R22 PolarHBondContact O-N 3.23Å; K18-R22 VanDerWaalsContact O-N 3.16Å
19	A	87.8	Confident	81.6	Confident	61 Å²	61	116.4 Å²	116.4	50%	0.504	60%	0.596	S	S	.	*	H	α-helix	trans	-65	-44.4	173.6	0	0	0	0	0	111.2	A15 Q16 R21 R22 A23	A15-A19 PolarHBondContact O-N 2.76Å; Q16-A19 PolarHBondContact O-N 3.35Å; A19-R21 PolarHBondContact O-N 3.32Å; A19-R22 PolarHBondContact O-N 2.96Å; A19-A23 PolarHBondContact O-N 3.42Å
20	E	88.5	Confident	83.5	Confident	91 Å²	91	112.4 Å²	112.4	43%	0.425	58%	0.583	S	S	.	*	H	α-helix	trans	-62	-42.9	177.5	-168	169.7	-173	0	0	111.8	Q16 R22 A23 I24	Q16-E20 WeakPolarHBondContact O-CB 3.4Å; Q16-E20 PolarHBondContact O-N 2.83Å; E20-R22 VanDerWaalsContact C-N 3.34Å; E20-R22 PolarHBondContact O-N 2.85Å; E20-A23 PolarHBondContact O-N 2.91Å; E20-I24 HydrophobicContact CG-CD1 4.29Å; E20-I24 VanDerWaalsContact O-CG1 3.3Å; E20-I24 WeakPolarHBondContact O-CG1 3.47Å; E20-I24 PolarHBondContact O-N 3.44Å
21	R	91.3	Very high	85.1	Confident	193 Å²	193	107.7 Å²	107.7	73%	0.728	57%	0.567	S	S	*	*	H	α-helix	trans	-62	-37.2	173.9	-78.9	-178.4	179.9	-172.6	0.7	113.5	L17 A19 Q25	L17-R21 WeakPolarHBondContact O-CG 3.34Å; L17-R21 PolarHBondContact O-N 2.8Å; A19-R21 PolarHBondContact O-N 3.32Å; R21-Q25 PolarHBondContact O-N 3.32Å; R21-Q25 VanDerWaalsContact O-N 3.16Å
22	R	91.4	Very high	86.4	Confident	163 Å²	163	110.6 Å²	110.6	62%	0.615	56%	0.562	S	S	*	*	H	α-helix	trans	-68.3	-44.3	176.3	-79.1	-178.5	176.5	178.2	-3	111.3	K18 A19 E20 I24 Q25 E26	K18-R22 PolarHBondContact O-N 3.23Å; K18-R22 VanDerWaalsContact O-N 3.16Å; A19-R22 PolarHBondContact O-N 2.96Å; E20-R22 VanDerWaalsContact C-N 3.34Å; E20-R22 PolarHBondContact O-N 2.85Å; R22-I24 VanDerWaalsContact C-N 3.32Å; R22-I24 PolarHBondContact O-N 3.17Å; R22-Q25 PolarHBondContact O-N 2.85Å; R22-E26 WeakPolarHBondContact O-CB 3.34Å; R22-E26 PolarHBondContact O-N 3.37Å
23	A	90.5	Very high	86.7	Confident	59 Å²	59	108.1 Å²	108.1	49%	0.488	56%	0.564	S	S	.	*	H	α-helix	trans	-59.6	-42	176.8	0	0	0	0	0	112	A19 E20 E26 A27	A19-A23 PolarHBondContact O-N 3.42Å; E20-A23 PolarHBondContact O-N 2.91Å; A23-E26 PolarHBondContact O-N 3.15Å; A23-A27 WeakPolarHBondContact O-CB 3.18Å; A23-A27 PolarHBondContact O-N 3.04Å
24	I	89.6	Confident	86.7	Confident	88 Å²	88	108 Å²	108	45%	0.451	57%	0.569	S	S	.	*	H	α-helix	trans	-63.4	-43.6	176.2	-66.6	164.8	0	0	0	111.3	E20 R22 E26 Q28	E20-I24 HydrophobicContact CG-CD1 4.29Å; E20-I24 VanDerWaalsContact O-CG1 3.3Å; E20-I24 WeakPolarHBondContact O-CG1 3.47Å; E20-I24 PolarHBondContact O-N 3.44Å; R22-I24 VanDerWaalsContact C-N 3.32Å; R22-I24 PolarHBondContact O-N 3.17Å; I24-E26 VanDerWaalsContact C-N 3.34Å; I24-E26 PolarHBondContact O-N 3.28Å; I24-Q28 WeakPolarHBondContact O-CB 3.46Å; I24-Q28 VanDerWaalsContact O-CG 3.31Å; I24-Q28 WeakPolarHBondContact O-CG 3.49Å; I24-Q28 PolarHBondContact O-N 3.33Å
25	Q	91.5	Very high	86.1	Confident	109 Å²	109	103.2 Å²	103.2	51%	0.509	56%	0.558	S	S	.	*	H	α-helix	trans	-65.7	-36.8	178.2	-81.1	-172.2	-2.3	0	0	112.7	R21 R22 Q28 R29	R21-Q25 PolarHBondContact O-N 3.32Å; R21-Q25 VanDerWaalsContact O-N 3.16Å; R22-Q25 PolarHBondContact O-N 2.85Å; Q25-Q28 PolarHBondContact O-N 3.3Å; Q25-R29 WeakPolarHBondContact O-CG 3.18Å; Q25-R29 PolarHBondContact O-N 3.36Å; Q25-R29 VanDerWaalsContact O-N 3.1Å
26	E	90.7	Very high	84.7	Confident	142 Å²	142	108.8 Å²	108.8	66%	0.664	57%	0.569	S	S	*	*	H	α-helix	trans	-72.5	-41.5	180	-162.3	161.2	-158.2	0	0	111.3	R22 A23 I24 Q28 R29 A30	R22-E26 WeakPolarHBondContact O-CB 3.34Å; R22-E26 PolarHBondContact O-N 3.37Å; A23-E26 PolarHBondContact O-N 3.15Å; I24-E26 VanDerWaalsContact C-N 3.34Å; I24-E26 PolarHBondContact O-N 3.28Å; E26-Q28 VanDerWaalsContact C-N 3.32Å; E26-Q28 PolarHBondContact O-N 2.87Å; E26-R29 PolarHBondContact O-N 3Å; E26-R29 VanDerWaalsContact O-N 3.16Å; E26-A30 PolarHBondContact O-N 2.88Å
27	A	89.6	Confident	82.5	Confident	61 Å²	61	106.6 Å²	106.6	50%	0.504	58%	0.575	S	S	.	*	H	α-helix	trans	-60	-40	171.4	0	0	0	0	0	112.3	A23 A30 A31	A23-A27 WeakPolarHBondContact O-CB 3.18Å; A23-A27 PolarHBondContact O-N 3.04Å; A27-A30 PolarHBondContact O-N 3.2Å; A27-A31 WeakPolarHBondContact O-CB 3.39Å; A27-A31 PolarHBondContact O-N 3.42Å
28	Q	92.3	Very high	80.2	Confident	117 Å²	117	108.3 Å²	108.3	55%	0.547	59%	0.59	S	S	.	*	H	α-helix	trans	-65.9	-36.2	175.2	-76.7	179.9	0.5	0	0	112.9	I24 Q25 E26 K32	I24-Q28 WeakPolarHBondContact O-CB 3.46Å; I24-Q28 VanDerWaalsContact O-CG 3.31Å; I24-Q28 WeakPolarHBondContact O-CG 3.49Å; I24-Q28 PolarHBondContact O-N 3.33Å; Q25-Q28 PolarHBondContact O-N 3.3Å; E26-Q28 VanDerWaalsContact C-N 3.32Å; E26-Q28 PolarHBondContact O-N 2.87Å; Q28-K32 WeakPolarHBondContact O-CB 3.45Å; Q28-K32 WeakPolarHBondContact O-CG 3.1Å; Q28-K32 PolarHBondContact O-N 3.1Å
29	R	87.3	Confident	77.4	Confident	176 Å²	176	109.8 Å²	109.8	66%	0.664	60%	0.604	S	S	*	*	H	α-helix	trans	-68.2	-42.7	174.5	-72.2	-178.4	-142.7	-178.1	5.7	111.3	Q25 E26 K32 A33	Q25-R29 WeakPolarHBondContact O-CG 3.18Å; Q25-R29 PolarHBondContact O-N 3.36Å; Q25-R29 VanDerWaalsContact O-N 3.1Å; E26-R29 PolarHBondContact O-N 3Å; E26-R29 VanDerWaalsContact O-N 3.16Å; R29-K32 PolarHBondContact O-N 2.92Å; R29-A33 PolarHBondContact O-N 3.15Å
30	A	86	Confident	74.6	Confident	62 Å²	62	116.3 Å²	116.3	51%	0.512	62%	0.621	S	S	.	*	H	α-helix	trans	-62.4	-44.1	176.1	0	0	0	0	0	111.9	E26 A27 K32 A33 A34	E26-A30 PolarHBondContact O-N 2.88Å; A27-A30 PolarHBondContact O-N 3.2Å; A30-K32 PolarHBondContact O-N 3.46Å; A30-A33 PolarHBondContact O-N 3.18Å; A30-A34 PolarHBondContact O-N 2.75Å
31	A	84.2	Confident	72.2	Confident	63 Å²	63	117.8 Å²	117.8	52%	0.521	64%	0.639	S	S	.	*	H	α-helix	trans	-63.2	-41	176.2	0	0	0	0	0	112.4	A27 A33 A34 S35	A27-A31 WeakPolarHBondContact O-CB 3.39Å; A27-A31 PolarHBondContact O-N 3.42Å; A31-A33 VanDerWaalsContact C-N 3.35Å; A31-A33 PolarHBondContact O-N 2.84Å; A31-A34 PolarHBondContact O-N 2.66Å; A31-S35 WeakPolarHBondContact O-CB 3.48Å; A31-S35 PolarHBondContact O-N 2.92Å; A31-S35 PolarHBondContact O-OG 3.24Å
32	K	82.7	Confident	69.1	Low	153 Å²	153	118.1 Å²	118.1	67%	0.665	65%	0.645	S	S	*	*	H	α-helix	trans	-64	-38.7	174.3	-80.5	-177.9	179.2	178.8	0	112.2	Q28 R29 A30 S35	Q28-K32 WeakPolarHBondContact O-CB 3.45Å; Q28-K32 WeakPolarHBondContact O-CG 3.1Å; Q28-K32 PolarHBondContact O-N 3.1Å; R29-K32 PolarHBondContact O-N 2.92Å; A30-K32 PolarHBondContact O-N 3.46Å; K32-S35 PolarHBondContact O-N 3.34Å; K32-S35 PolarHBondContact O-OG 2.98Å
33	A	79	Confident	66	Low	70 Å²	70	116.9 Å²	116.9	58%	0.579	66%	0.655	S	S	*	*	H	α-helix	trans	-65.8	-43.4	175.7	0	0	0	0	0	111.7	R29 A30 A31 S35 K36	R29-A33 PolarHBondContact O-N 3.15Å; A30-A33 PolarHBondContact O-N 3.18Å; A31-A33 VanDerWaalsContact C-N 3.35Å; A31-A33 PolarHBondContact O-N 2.84Å; A33-S35 VanDerWaalsContact C-N 3.35Å; A33-S35 PolarHBondContact O-N 3.27Å; A33-K36 PolarHBondContact O-N 3.48Å
34	A	78.1	Confident	63	Low	76 Å²	76	120.4 Å²	120.4	63%	0.628	67%	0.671	S	S	*	*	H	α-helix	trans	-64.8	-36.5	176.5	0	0	0	0	0	112.6	A30 A31 K36 G37	A30-A34 PolarHBondContact O-N 2.75Å; A31-A34 PolarHBondContact O-N 2.66Å; A34-K36 PolarHBondContact O-N 2.89Å; A34-K36 VanDerWaalsContact O-N 3.17Å; A34-G37 PolarHBondContact O-N 2.96Å
35	S	65.5	Low	59.9	Low	81 Å²	81	125 Å²	125	57%	0.566	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-70.2	-9.1	-178.4	70.4	0	0	0	0	115.1	A31 K32 A33 G37	A31-S35 WeakPolarHBondContact O-CB 3.48Å; A31-S35 PolarHBondContact O-N 2.92Å; A31-S35 PolarHBondContact O-OG 3.24Å; K32-S35 PolarHBondContact O-N 3.34Å; K32-S35 PolarHBondContact O-OG 2.98Å; A33-S35 VanDerWaalsContact C-N 3.35Å; A33-S35 PolarHBondContact O-N 3.27Å; S35-G37 PolarHBondContact O-N 3.4Å
36	K	52.5	Low	56.5	Low	189 Å²	189	126.1 Å²	126.1	82%	0.822	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-78.1	-5.2	173.6	-76.2	-172.6	175.2	-175.6	0	113.6	A33 A34	A33-K36 PolarHBondContact O-N 3.48Å; A34-K36 PolarHBondContact O-N 2.89Å; A34-K36 VanDerWaalsContact O-N 3.17Å
37	G	39	Very low	53.4	Low	63 Å²	63	127.3 Å²	127.3	65%	0.649	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-98.8	-2.2	-171.8	0	0	0	0	0	117.5	A34 S35	A34-G37 PolarHBondContact O-N 2.96Å; S35-G37 PolarHBondContact O-N 3.4Å
38	T	37.5	Very low	50.1	Low	124 Å²	124	131.7 Å²	131.7	76%	0.761	73%	0.73	S	S	*	*			trans	-141.4	116	-173.6	37.7	0	0	0	0	113.8	K40	T38-K40 PolarHBondContact O-N 2.83Å
39	D	30.8	Very low	46.8	Very low	164 Å²	164	132.6 Å²	132.6	88%	0.877	74%	0.744	S	S	*	*			trans	-60.1	122.3	173.1	-76.4	-45.9	0	0	0	112.3
40	K	29.1	Very low	43.6	Very low	198 Å²	198	131 Å²	131	86%	0.861	75%	0.754	S	S	*	*			trans	-173.8	153.4	143.2	-103.8	167.3	-174.2	-175.6	0	111.7	T38	T38-K40 PolarHBondContact O-N 2.83Å
41	P	37.3	Very low	40.7	Very low	123 Å²	123	133.4 Å²	133.4	80%	0.799	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-84.6	138.2	-152.3	32.9	-33.8	0	0	0	113.6
42	K	26.8	Very low	37.8	Very low	199 Å²	199	135.8 Å²	135.8	87%	0.865	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-81.9	116.9	-178.3	-82.3	176.8	174	173.7	0	112.3
43	V	25.3	Very low	34.9	Very low	137 Å²	137	133.5 Å²	133.5	83%	0.83	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-73	125.5	152.5	174.2	0	0	0	0	107.9	Q45	V43-Q45 PolarHBondContact O-N 2.53Å
44	T	27.6	Very low	32.3	Very low	134 Å²	134	139.4 Å²	139.4	82%	0.822	80%	0.801	S	S	*	*			trans	-88.4	105.9	-171.2	-23.4	0	0	0	0	109.5
45	Q	24.6	Very low	29.7	Very low	183 Å²	183	140.9 Å²	140.9	86%	0.855	81%	0.807	S	S	*	*			trans	-95.9	129.3	163.9	-79.8	-176.9	-4.3	0	0	109.8	V43	V43-Q45 PolarHBondContact O-N 2.53Å
46	T	20.6	Very low	27.7	Very low	133 Å²	133	142.3 Å²	142.3	82%	0.816	82%	0.816	S	S	*	*			trans	-70.3	121.5	-177.1	35.5	0	0	0	0	111.4
47	L	24.9	Very low	26.2	Very low	167 Å²	167	142.1 Å²	142.1	87%	0.874	82%	0.821	S	S	*	*			trans	-131.5	110.2	162.6	-84.8	165.8	0	0	0	109.1
48	N	20.2	Very low	25.3	Very low	154 Å²	154	144.8 Å²	144.8	82%	0.824	82%	0.824	S	S	*	*			trans	-56.1	127	167.7	-71.6	-30.1	0	0	0	110.5
49	T	23.8	Very low	24.7	Very low	135 Å²	135	146.6 Å²	146.6	83%	0.828	83%	0.828	S	S	*	*			trans	-176.3	114.3	142.9	20.3	0	0	0	0	108.4	P51	T49-P51 WeakPolarHBondContact O-CD 3.27Å
50	V	20.3	Very low	24.3	Very low	144 Å²	144	145.4 Å²	145.4	87%	0.873	82%	0.821	S	S	*	*			trans	-70.4	124.1	174.7	-178.7	0	0	0	0	107.8
51	P	25.1	Very low	24	Very low	111 Å²	111	140.4 Å²	140.4	72%	0.721	82%	0.817	S	S	*	*				-136.8	134.7	126.6	31.4	-16	0	0	0	112.7	T49 S53	T49-P51 WeakPolarHBondContact O-CD 3.27Å; P51-S53 PolarHBondContact O-N 3.35Å
52	S	22.7	Very low	23.4	Very low	114 Å²	114	140 Å²	140	80%	0.797	82%	0.815	S	S	*	*			trans	-43.1	111.7	165.7	43.7	0	0	0	0	114.4
53	S	23.2	Very low	23.1	Very low	104 Å²	104	138.6 Å²	138.6	73%	0.727	82%	0.816	S	S	*	*			trans	-177.1	97.1	142.6	56	0	0	0	0	108.5	P51 S55	P51-S53 PolarHBondContact O-N 3.35Å; S53-S55 PolarHBondContact O-N 3.18Å
54	L	24.2	Very low	23.1	Very low	195 Å²	195	138.5 Å²	138.5	100%	1.021	82%	0.816	S	S	*	*			trans	-73.7	89.5	173.7	-86.5	129.6	0	0	0	109.3
55	S	22.6	Very low	22.9	Very low	107 Å²	107	140.8 Å²	140.8	75%	0.748	82%	0.818	S	S	*	*			trans	-82.5	115.2	164.6	53.2	0	0	0	0	109.4	S53	S53-S55 PolarHBondContact O-N 3.18Å
56	S	23.9	Very low	23.3	Very low	110 Å²	110	137.6 Å²	137.6	77%	0.769	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-51	125.8	176.7	51.2	0	0	0	0	113.2
57	M	21.7	Very low	23.5	Very low	186 Å²	186	139.2 Å²	139.2	92%	0.916	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-82.6	118.7	166.8	-84.1	-176.2	161.8	0	0	110.3
58	T	20	Very low	23.3	Very low	118 Å²	118	139.7 Å²	139.7	72%	0.724	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-68.4	121.4	172.1	-44.1	0	0	0	0	110.1
59	I	23.8	Very low	23.5	Very low	162 Å²	162	140 Å²	140	83%	0.831	82%	0.815	S	S	*	*			trans	-100.1	111.4	165.2	-59.4	178	0	0	0	106.7	A61	I59-A61 PolarHBondContact O-N 3.14Å
60	N	22.7	Very low	23.3	Very low	140 Å²	140	140.2 Å²	140.2	75%	0.749	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-66.1	124.6	173.4	-80.9	-16.2	0	0	0	109.6
61	A	22.3	Very low	23.4	Very low	93 Å²	93	136.5 Å²	136.5	77%	0.769	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-77	125	169.6	0	0	0	0	0	109.8	I59	I59-A61 PolarHBondContact O-N 3.14Å
62	P	25.2	Very low	23.3	Very low	115 Å²	115	137.8 Å²	137.8	75%	0.747	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-79.6	125.1	167.3	-4.5	22.5	0	0	0	109.6	T64	P62-T64 PolarHBondContact O-N 3.09Å
63	N	20.5	Very low	23.2	Very low	168 Å²	168	140.3 Å²	140.3	90%	0.898	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-62.3	119	165.5	-90.4	-20	0	0	0	109.8
64	T	25.6	Very low	23.2	Very low	135 Å²	135	143.7 Å²	143.7	83%	0.828	82%	0.823	S	S	*	*			trans	-140.9	123.1	155.5	-25.3	0	0	0	0	109.7	P62	P62-T64 PolarHBondContact O-N 3.09Å
65	Q	23.6	Very low	23.1	Very low	183 Å²	183	143.2 Å²	143.2	86%	0.855	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-66.4	162.7	-179.1	-86.2	176.9	-25.2	0	0	113
66	P	31.7	Very low	23.1	Very low	116 Å²	116	147.5 Å²	147.5	75%	0.753	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-90	124.7	-157.1	33.7	-29.3	0	0	0	111.8
67	N	24.7	Very low	23	Very low	167 Å²	167	148.6 Å²	148.6	89%	0.893	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-95.5	116.6	157.7	-89.4	-5.4	0	0	0	108.6
68	Q	20.9	Very low	23.1	Very low	177 Å²	177	147.1 Å²	147.1	83%	0.827	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-59.3	127.2	161.4	-64.4	170.6	-0.1	0	0	107.6
69	D	24.6	Very low	23.2	Very low	159 Å²	159	147 Å²	147	85%	0.85	82%	0.818	S	S	*	*			trans	-163.1	131.5	137.7	-97.5	-26.1	0	0	0	110.8
70	T	20.7	Very low	23.1	Very low	141 Å²	141	149 Å²	149	87%	0.865	82%	0.821	S	S	*	*			trans	-63.7	139.5	177.4	45.1	0	0	0	0	112.3
71	G	21.5	Very low	23.2	Very low	66 Å²	66	152 Å²	152	68%	0.68	83%	0.828	S	S	*	*			trans	157.2	96.4	162.4	0	0	0	0	0	116.2
72	T	23.4	Very low	23.2	Very low	137 Å²	137	154.9 Å²	154.9	84%	0.84	83%	0.83	S	S	*	*			trans	50.2	107.5	144.8	52.1	0	0	0	0	119.6	E74	T72-E74 PolarHBondContact O-N 3.2Å; T72-E74 VanDerWaalsContact O-N 3.11Å
73	N	21.5	Very low	23.1	Very low	167 Å²	167	158.5 Å²	158.5	89%	0.893	84%	0.837	S	S	*	*			trans	-48.8	104.8	160.4	-91.8	-31.6	0	0	0	112.2
74	E	22.3	Very low	23.2	Very low	175 Å²	175	160.2 Å²	160.2	82%	0.818	84%	0.837	S	S	*	*			trans	-112.9	107.9	154	-76	-169.4	163.1	0	0	108.8	T72 K76	T72-E74 PolarHBondContact O-N 3.2Å; T72-E74 VanDerWaalsContact O-N 3.11Å; E74-K76 PolarHBondContact O-N 3.47Å
75	Q	23	Very low	23	Very low	185 Å²	185	158.2 Å²	158.2	86%	0.864	83%	0.833	S	S	*	*			trans	-62.6	102.3	172.4	-74.8	172.7	-6.6	0	0	108.9	T77	Q75-T77 PolarHBondContact O-N 3.09Å
76	K	22.2	Very low	22.9	Very low	197 Å²	197	155.4 Å²	155.4	86%	0.857	83%	0.833	S	S	*	*			trans	-68.5	96.5	171.1	-77	179.7	176.9	175.4	0	110.1	E74 I78	E74-K76 PolarHBondContact O-N 3.47Å; K76-I78 PolarHBondContact O-N 3.31Å
77	T	20.6	Very low	22.4	Very low	134 Å²	134	155.6 Å²	155.6	82%	0.822	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-60.7	121.6	160	23.7	0	0	0	0	110.3	Q75	Q75-T77 PolarHBondContact O-N 3.09Å
78	I	23.6	Very low	22.4	Very low	155 Å²	155	154.6 Å²	154.6	80%	0.795	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-77	137.8	174	-60.6	170	0	0	0	108.4	K76	K76-I78 PolarHBondContact O-N 3.31Å
79	P	23.3	Very low	22.5	Very low	115 Å²	115	153 Å²	153	75%	0.747	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-82.1	134.6	-162.8	-2.7	21	0	0	0	112.9
80	F	21.4	Very low	22.5	Very low	203 Å²	203	152 Å²	152	89%	0.89	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-60.2	127.3	168.4	-96.6	-104.7	0	0	0	110.6
81	K	23.9	Very low	22.7	Very low	204 Å²	204	153.5 Å²	153.5	89%	0.887	82%	0.819	S	S	*	*			trans	-109.2	126.6	170.5	-159.9	175.8	-176.3	179.2	0	109.1
82	D	23.9	Very low	23.1	Very low	154 Å²	154	155 Å²	155	82%	0.824	82%	0.818	S	S	*	*			trans	-54.8	138.8	-164.8	-68.8	-56.3	0	0	0	116.4
83	Q	22.9	Very low	23.5	Very low	191 Å²	191	157.1 Å²	157.1	89%	0.893	82%	0.819	S	S	*	*			trans	-64.9	124.3	168.6	-68.9	169.9	4.5	0	0	110.2
84	K	21.3	Very low	24	Very low	204 Å²	204	154.5 Å²	154.5	89%	0.887	81%	0.805	S	S	*	*			trans	-125.6	117.3	160.5	-99	-176.4	176.7	179.8	0	110.4
85	A	21.7	Very low	24.6	Very low	92 Å²	92	154.7 Å²	154.7	76%	0.76	81%	0.812	S	S	*	*			trans	62.6	104.1	150	0	0	0	0	0	118.8
86	C	22.3	Very low	25.4	Very low	125 Å²	125	154.9 Å²	154.9	85%	0.845	80%	0.804	S	S	*	*			trans	-146.2	129.5	131.7	-95.7	0	0	0	0	108.8
87	T	20.6	Very low	26.5	Very low	120 Å²	120	150.6 Å²	150.6	74%	0.736	79%	0.79	S	S	*	*			trans	-86.4	161.4	-159.7	33.2	0	0	0	0	114.4
88	D	24.4	Very low	27.6	Very low	145 Å²	145	147.5 Å²	147.5	78%	0.775	77%	0.769	S	S	*	*			trans	70.5	94.3	153.9	-52.5	-25.6	0	0	0	119.9
89	I	23.6	Very low	28.9	Very low	144 Å²	144	141.5 Å²	141.5	74%	0.738	74%	0.737	S	S	*	*			trans	-81.8	107	169	-62.1	167.4	0	0	0	108.1	Q91	I89-Q91 HydrophobicContact CG2-CB 4.48Å; I89-Q91 HydrophobicContact CG2-CG 3.86Å
90	V	24.2	Very low	30	Very low	137 Å²	137	137 Å²	137	83%	0.83	71%	0.708	S	S	*	*			trans	-96.6	99.4	155.6	-178.6	0	0	0	0	106.8	S92	V90-S92 VanDerWaalsContact C-N 3.3Å; V90-S92 PolarHBondContact O-N 3.35Å
91	Q	25.5	Very low	31.1	Very low	173 Å²	173	130.5 Å²	130.5	81%	0.808	69%	0.688	S	S	*	*			trans	-66.6	88.8	172.4	-97.3	173.9	-23.2	0	0	109.2	I89 Q93	I89-Q91 HydrophobicContact CG2-CB 4.48Å; I89-Q91 HydrophobicContact CG2-CG 3.86Å; Q91-Q93 PolarHBondContact O-N 2.97Å
92	S	29	Very low	32.4	Very low	97 Å²	97	123.5 Å²	123.5	68%	0.678	66%	0.66	S	S	*	*			trans	-64.5	117.5	163.6	168.1	0	0	0	0	108.3	V90 N94	V90-S92 VanDerWaalsContact C-N 3.3Å; V90-S92 PolarHBondContact O-N 3.35Å; S92-N94 PolarHBondContact O-N 3.22Å
93	Q	31.5	Very low	33.7	Very low	182 Å²	182	125.6 Å²	125.6	85%	0.85	66%	0.662	S	S	*	*	S	Bend	trans	-66.4	83.8	173.3	-70.4	-178.1	-9.6	0	0	109.5	Q91	Q91-Q93 PolarHBondContact O-N 2.97Å
94	N	32.4	Very low	35.3	Very low	113 Å²	113	120.3 Å²	120.3	60%	0.604	64%	0.639	S	S	*	*	S	Bend	trans	-179	125.3	154	-86.5	-32.2	0	0	0	104.8	S92 R96	S92-N94 PolarHBondContact O-N 3.22Å; N94-R96 PolarHBondContact O-N 3.45Å
95	N	35.2	Very low	37	Very low	179 Å²	179	113.2 Å²	113.2	96%	0.957	62%	0.618	S	S	*	*			trans	-65	38.8	-175.9	-91	-14.2	0	0	0	114.7
96	R	41	Very low	38.9	Very low	188 Å²	188	118.2 Å²	118.2	71%	0.709	63%	0.626	S	S	*	*			trans	-96.4	102.9	175.4	-67.4	-175.4	178	142.1	-0.5	107.9	N94 D98 I183	N94-R96 PolarHBondContact O-N 3.45Å; R96-D98 PolarHBondContact O-N 3.39Å; R96-I183 HydrophobicContact CB-CD1 4.26Å
97	L	44.7	Very low	41.2	Very low	107 Å²	107	114.1 Å²	114.1	56%	0.56	60%	0.595	S	S	*	*			trans	-67.6	122.1	173.1	-67.8	167.8	0	0	0	108.6	F99	L97-F99 HydrophobicContact CB-CD2 4.38Å; L97-F99 HydrophobicContact CB-CE1 4.39Å; L97-F99 HydrophobicContact CB-CE2 3.72Å; L97-F99 HydrophobicContact CB-CZ 3.72Å; L97-F99 HydrophobicContact CD1-CZ 3.99Å; L97-F99 WeakPolarHBondContact O-CD2 3.3Å; L97-F99 WeakPolarHBondContact O-CE2 3.47Å; L97-F99 PolarHBondContact O-N 3.06Å; L97-F99 VanDerWaalsContact O-N 3.16Å
98	D	44.1	Very low	43.7	Very low	69 Å²	69	111.7 Å²	111.7	37%	0.369	58%	0.582	S	S	.	*			trans	-78.3	96.1	174.6	-178.8	10.1	0	0	0	109.8	R96 S100 S101	R96-D98 PolarHBondContact O-N 3.39Å; D98-S100 PolarHBondContact O-N 2.94Å; D98-S100 VanDerWaalsContact OD1-CB 3.26Å; D98-S100 WeakPolarHBondContact OD1-CB 3.38Å; D98-S100 PolarHBondContact OD1-N 3.2Å; D98-S100 PolarHBondContact OD1-OG 3.2Å; D98-S100 PolarHBondContact OD2-OG 2.7Å; D98-S101 PolarHBondContact O-OG 3.4Å
99	F	51.2	Low	46	Very low	30 Å²	30	114.8 Å²	114.8	13%	0.132	59%	0.588	C	S	.	*	T	Hydrogen-bonded Turn	trans	-74.6	-8.2	178.7	-65.2	-80.6	0	0	0	113.3	L97 H146 P147	L97-F99 HydrophobicContact CB-CD2 4.38Å; L97-F99 HydrophobicContact CB-CE1 4.39Å; L97-F99 HydrophobicContact CB-CE2 3.72Å; L97-F99 HydrophobicContact CB-CZ 3.72Å; L97-F99 HydrophobicContact CD1-CZ 3.99Å; L97-F99 WeakPolarHBondContact O-CD2 3.3Å; L97-F99 WeakPolarHBondContact O-CE2 3.47Å; L97-F99 PolarHBondContact O-N 3.06Å; L97-F99 VanDerWaalsContact O-N 3.16Å; F99-H146 AromaticContact CE2-CD2 3.49Å; F99-H146 VanDerWaalsContact CE2-CD2 3.49Å; F99-H146 WeakPolarHBondContact CE2-CD2 3.38Å; F99-H146 AromaticContact CZ-CD2 3.83Å; F99-P147 VanDerWaalsContact CZ-CD 3.47Å; F99-P147 HydrophobicContact CZ-CG 4.32Å
100	S	45.6	Very low	48.8	Very low	20 Å²	20	111.9 Å²	111.9	14%	0.14	58%	0.581	C	S	.	*	T	Hydrogen-bonded Turn	trans	-75.4	-26	-174.7	76	0	0	0	0	113.3	D98 K185	D98-S100 PolarHBondContact O-N 2.94Å; D98-S100 VanDerWaalsContact OD1-CB 3.26Å; D98-S100 WeakPolarHBondContact OD1-CB 3.38Å; D98-S100 PolarHBondContact OD1-N 3.2Å; D98-S100 PolarHBondContact OD1-OG 3.2Å; D98-S100 PolarHBondContact OD2-OG 2.7Å; S100-K185 WeakPolarHBondContact O-CE 3.36Å
101	S	44.4	Very low	51.7	Low	67 Å²	67	106.7 Å²	106.7	47%	0.469	55%	0.546	S	S	.	.	S	Bend	trans	-87.6	-15.4	-177.6	58.7	0	0	0	0	114.1	D98 K103	D98-S101 PolarHBondContact O-OG 3.4Å; S101-K103 PolarHBondContact O-N 2.89Å
102	L	51	Low	54.6	Low	56 Å²	56	103.8 Å²	103.8	29%	0.293	54%	0.535	S	S	.	.	S	Bend	trans	-80.4	109.3	177.2	-65.3	175.3	0	0	0	109.1	I104 S143	L102-I104 PolarHBondContact O-N 3.28Å; L102-S143 WeakPolarHBondContact CD1-O 3.4Å
103	K	51	Low	57.5	Low	199 Å²	199	101.5 Å²	101.5	87%	0.865	51%	0.514	S	S	*	.			trans	-46	121	167.7	-75.2	-175.8	178.5	179	0	108.2	S101 A105	S101-K103 PolarHBondContact O-N 2.89Å; K103-A105 PolarHBondContact O-N 3.33Å
104	I	56.3	Low	60.2	Low	80 Å²	80	93 Å²	93	41%	0.41	47%	0.474	S	S	.	.			trans	-55.1	105.8	176.5	-60.7	170.5	0	0	0	106.2	L102 E106 P208 A212	L102-I104 PolarHBondContact O-N 3.28Å; I104-E106 PolarHBondContact O-N 3.04Å; I104-P208 HydrophobicContact CD1-CB 4.5Å; I104-A212 HydrophobicContact CD1-CB 4.41Å; I104-A212 HydrophobicContact CG2-CB 3.61Å
105	A	56.6	Low	62.7	Low	55 Å²	55	92.7 Å²	92.7	46%	0.455	48%	0.481	S	S	.	.			trans	-57.9	132.9	178.2	0	0	0	0	0	107.7	K103 L107	K103-A105 PolarHBondContact O-N 3.33Å; A105-L107 WeakPolarHBondContact O-CD1 3.46Å; A105-L107 PolarHBondContact O-N 2.92Å
106	E	63.2	Low	65.2	Low	197 Å²	197	84.5 Å²	84.5	92%	0.921	44%	0.437	S	S	*	.			trans	-63.2	102.4	175.2	-74.9	-170.2	163.8	0	0	108.4	I104	I104-E106 PolarHBondContact O-N 3.04Å
107	L	69.6	Low	67.5	Low	38 Å²	38	77.9 Å²	77.9	20%	0.199	41%	0.412	C	S	.	.			trans	-67	142.7	175.1	-75.7	106.2	0	0	0	109.5	A105 L137 I145 F216 L219	A105-L107 WeakPolarHBondContact O-CD1 3.46Å; A105-L107 PolarHBondContact O-N 2.92Å; L107-L137 HydrophobicContact CD2-CD1 4.05Å; L107-L137 HydrophobicContact CD2-CD2 4.18Å; L107-I145 HydrophobicContact CD1-CD1 4.35Å; L107-F216 HydrophobicContact CD2-CB 3.82Å; L107-F216 HydrophobicContact CD2-CD2 3.95Å; L107-F216 HydrophobicContact CD2-CG 4.4Å; L107-L219 HydrophobicContact CB-CD1 3.95Å; L107-L219 HydrophobicContact CD2-CD1 3.71Å; L107-L219 HydrophobicContact CG-CD1 4.48Å
108	P	72.9	Confident	69.8	Low	70 Å²	70	74.4 Å²	74.4	46%	0.455	40%	0.396	S	S	.	.			trans	-59.1	152.9	174.8	27.6	-34.3	0	0	0	110.3	L137 L219	P108-L137 HydrophobicContact CG-CD2 3.51Å; P108-L219 HydrophobicContact CG-CD1 4.1Å; P108-L219 WeakPolarHBondContact O-CD1 3.46Å; P108-L219 VanDerWaalsContact O-CD2 3.31Å; P108-L219 WeakPolarHBondContact O-CD2 3.47Å
109	K	74.2	Confident	71.9	Confident	210 Å²	210	78.5 Å²	78.5	91%	0.913	41%	0.412	S	S	*	.	S	Bend	trans	-76.9	-25.3	-177.1	-66.9	-177.9	179.7	177.4	0	113.9
110	S	80.7	Confident	73.7	Confident	82 Å²	82	82.1 Å²	82.1	57%	0.573	43%	0.432	S	S	*	.	S	Bend	trans	-157.8	153.8	-175.5	58.1	0	0	0	0	111
111	R	85.3	Confident	75.9	Confident	29 Å²	29	81.8 Å²	81.8	11%	0.109	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-79.4	162	173.2	-80.4	178.4	67.6	174.1	10.6	112.5	Q113 P127 D128 V131 D157 L219 C220	R111-Q113 PolarHBondContact O-N 3.07Å; R111-Q113 PolarHBondContact O-NE2 2.84Å; R111-P127 HydrophobicContact CB-CB 3.85Å; R111-P127 HydrophobicContact CG-CB 4.47Å; R111-D128 PolarHBondContact NH2-O 2.74Å; R111-V131 PolarHBondContact NH2-O 2.92Å; R111-D157 IonicContact CZ-OD1 3.02Å; R111-D157 IonicContact NH1-OD1 2.86Å; R111-D157 PolarHBondContact NH1-OD1 3.07Å; R111-D157 IonicContact NH1-OD2 2.87Å; R111-D157 IonicContact NH2-OD1 2.96Å; R111-D157 IonicContact NH2-OD2 3.87Å; R111-L219 WeakPolarHBondContact CD-O 3.49Å; R111-C220 PolarHBondContact NH1-O 3.01Å; R111-C220 VanDerWaalsContact NH1-O 3.17Å
112	I	86	Confident	78	Confident	111 Å²	111	83.6 Å²	83.6	57%	0.569	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-59.5	124.3	166.4	-59.7	173.4	0	0	0	107.9	D128 V131	I112-D128 PolarHBondContact O-N 2.9Å; I112-V131 HydrophobicContact CD1-CG1 4.49Å
113	Q	90	Very high	79.8	Confident	50 Å²	50	86.6 Å²	86.6	23%	0.234	44%	0.44	C	S	.	.	B	Isolated β-bridge	trans	-84.4	153.5	-179.2	-59.6	-60.7	-62	0	0	110.7	R111 S115 D125 Q126	R111-Q113 PolarHBondContact O-N 3.07Å; R111-Q113 PolarHBondContact O-NE2 2.84Å; Q113-S115 PolarHBondContact O-N 2.79Å; Q113-D125 PolarHBondContact NE2-OD1 2.78Å; Q113-D125 PolarHBondContact OE1-OD1 3.46Å; Q113-D125 VanDerWaalsContact OE1-OD1 3.1Å; Q113-Q126 WeakPolarHBondContact CA-O 3.34Å; Q113-Q126 PolarHBondContact OE1-O 2.77Å
114	E	87.9	Confident	81.7	Confident	4 Å²	4	77.8 Å²	77.8	2%	0.019	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-56	135.8	168.6	-175.1	58.9	-107.2	0	0	110.3	R117 Q126 R130 W491 R492	E114-R117 HydrophobicContact CB-CG 3.79Å; E114-R117 HydrophobicContact CG-CG 4.09Å; E114-R117 VanDerWaalsContact O-CD 3.29Å; E114-R117 WeakPolarHBondContact O-CD 3.19Å; E114-R117 VanDerWaalsContact O-CG 3.27Å; E114-R117 WeakPolarHBondContact O-CG 3.38Å; E114-R117 PolarHBondContact O-NE 3.49Å; E114-Q126 HydrophobicContact CB-CG 4.25Å; E114-Q126 PolarHBondContact N-O 2.78Å; E114-R130 IonicContact OE1-NH2 3.65Å; E114-W491 HydrophobicContact CG-CH2 4.28Å; E114-R492 WeakPolarHBondContact OE1-CD 3.41Å; E114-R492 IonicContact OE1-NE 3.36Å; E114-R492 PolarHBondContact OE1-NE 3.22Å; E114-R492 IonicContact OE2-CZ 3.3Å; E114-R492 VanDerWaalsContact OE2-CZ 3.26Å; E114-R492 IonicContact OE2-NE 3.56Å; E114-R492 PolarHBondContact OE2-NE 3.42Å; E114-R492 IonicContact OE2-NH2 2.82Å; E114-R492 PolarHBondContact OE2-NH2 2.81Å
115	S	86	Confident	83.3	Confident	106 Å²	106	77 Å²	77	74%	0.741	40%	0.399	S	S	*	.	S	Bend	trans	-76.5	-35.3	-178.5	60.5	0	0	0	0	111	Q113 R117	Q113-S115 PolarHBondContact O-N 2.79Å; S115-R117 PolarHBondContact O-N 2.94Å
116	C	87	Confident	84.8	Confident	7 Å²	7	74.6 Å²	74.6	5%	0.047	38%	0.378	C	S	.	.	S	Bend	trans	-102.9	75.3	-171.7	-158.9	0	0	0	0	111	W491 R492 R498	C116-W491 HydrophobicContact CB-CE3 4.48Å; C116-W491 HydrophobicContact CB-CH2 4.16Å; C116-W491 HydrophobicContact CB-CZ3 3.72Å; C116-W491 WeakPolarHBondContact O-CH2 3.49Å; C116-W491 VanDerWaalsContact O-CZ3 3.3Å; C116-W491 WeakPolarHBondContact O-CZ3 3.44Å; C116-R492 HydrophobicContact CB-CG 4.38Å; C116-R498 WeakPolarHBondContact SG-CD 2.86Å; C116-R498 PolarHBondContact SG-NE 3.22Å; C116-R498 PolarHBondContact SG-NH1 3.4Å
117	R	90.4	Very high	86	Confident	48 Å²	48	65.8 Å²	65.8	18%	0.181	34%	0.338	C	S	.	.			trans	-108.1	146.8	-174.7	-61.8	-172.3	-74.1	148.8	4.1	113.6	E114 S115 H119 K122 L124 Q126	E114-R117 HydrophobicContact CB-CG 3.79Å; E114-R117 HydrophobicContact CG-CG 4.09Å; E114-R117 VanDerWaalsContact O-CD 3.29Å; E114-R117 WeakPolarHBondContact O-CD 3.19Å; E114-R117 VanDerWaalsContact O-CG 3.27Å; E114-R117 WeakPolarHBondContact O-CG 3.38Å; E114-R117 PolarHBondContact O-NE 3.49Å; S115-R117 PolarHBondContact O-N 2.94Å; R117-H119 PolarHBondContact O-N 2.96Å; R117-K122 HydrophobicContact CB-CG 4.24Å; R117-K122 PolarHBondContact NH1-O 2.89Å; R117-L124 PolarHBondContact NH1-O 2.83Å; R117-Q126 VanDerWaalsContact CG-OE1 3.31Å
118	V	91.5	Very high	86.8	Confident	35 Å²	35	64.7 Å²	64.7	21%	0.212	33%	0.333	C	S	.	.			trans	-63	129.1	171.9	175.1	0	0	0	0	109.8	L120 F121 K122 R498 L500	V118-L120 VanDerWaalsContact C-N 3.33Å; V118-L120 PolarHBondContact O-N 2.89Å; V118-F121 HydrophobicContact CG1-CD2 4.04Å; V118-F121 PolarHBondContact O-N 3.36Å; V118-K122 PolarHBondContact O-N 3.42Å; V118-R498 HydrophobicContact CG2-CB 3.62Å; V118-L500 HydrophobicContact CB-CD1 4.41Å; V118-L500 HydrophobicContact CG2-CB 3.94Å; V118-L500 HydrophobicContact CG2-CD1 4.49Å
119	H	89.2	Confident	87.5	Confident	154 Å²	154	62.9 Å²	62.9	71%	0.713	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-55.6	-44.8	-169.5	-172.1	88	0	0	0	113.4	R117 F121 K122	R117-H119 PolarHBondContact O-N 2.96Å; H119-F121 PolarHBondContact O-N 2.84Å; H119-K122 PolarHBondContact O-N 3.31Å
120	L	88.5	Confident	87.9	Confident	106 Å²	106	57.4 Å²	57.4	56%	0.555	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-66.6	-17.4	-174.7	-171.1	55.6	0	0	0	114.2	V118 H123 F443	V118-L120 VanDerWaalsContact C-N 3.33Å; V118-L120 PolarHBondContact O-N 2.89Å; L120-H123 PolarHBondContact O-CE1 3.02Å; L120-H123 VanDerWaalsContact O-CE1 3.26Å; L120-H123 PolarHBondContact O-ND1 3.37Å; L120-F443 HydrophobicContact CD1-CD1 4.45Å; L120-F443 HydrophobicContact CD1-CE1 4.41Å; L120-F443 HydrophobicContact CD2-CD1 4.01Å; L120-F443 HydrophobicContact CD2-CE1 3.21Å; L120-F443 HydrophobicContact CD2-CZ 3.83Å; L120-F443 HydrophobicContact CG-CD1 3.8Å; L120-F443 HydrophobicContact CG-CE1 3.51Å
121	F	91.4	Very high	88	Confident	14 Å²	14	55.3 Å²	55.3	6%	0.061	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-117.5	14.4	-177.5	-62.2	-85.1	0	0	0	113.1	V118 H119 H123 L124 F443 L448 L500 L502	V118-F121 HydrophobicContact CG1-CD2 4.04Å; V118-F121 PolarHBondContact O-N 3.36Å; H119-F121 PolarHBondContact O-N 2.84Å; F121-H123 PolarHBondContact O-N 2.97Å; F121-L124 HydrophobicContact CB-CD1 4.4Å; F121-L124 HydrophobicContact CD1-CD1 3.79Å; F121-L124 WeakPolarHBondContact O-CB 3.31Å; F121-L124 PolarHBondContact O-N 2.82Å; F121-F443 AromaticContact CD1-CD1 3.97Å; F121-F443 HydrophobicContact CD1-CD1 3.97Å; F121-F443 HydrophobicContact CD1-CE1 4.42Å; F121-F443 AromaticContact CE1-CD1 3.27Å; F121-F443 HydrophobicContact CE1-CD1 3.27Å; F121-F443 AromaticContact CE1-CE1 3.51Å; F121-F443 HydrophobicContact CE1-CE1 3.51Å; F121-F443 HydrophobicContact CE1-CG 4.13Å; F121-F443 HydrophobicContact CE2-CD1 4.19Å; F121-F443 AromaticContact CE2-CE1 3.69Å; F121-F443 HydrophobicContact CE2-CE1 3.69Å; F121-F443 AromaticContact CZ-CD1 3.42Å; F121-F443 HydrophobicContact CZ-CD1 3.42Å; F121-F443 VanDerWaalsContact CZ-CD1 3.42Å; F121-F443 AromaticContact CZ-CE1 3.07Å; F121-F443 HydrophobicContact CZ-CE1 3.07Å; F121-F443 HydrophobicContact CZ-CG 4.47Å; F121-F443 AromaticContact CZ-CZ 3.95Å; F121-F443 HydrophobicContact CZ-CZ 3.95Å; F121-L448 HydrophobicContact CB-CD1 4.23Å; F121-L448 HydrophobicContact CB-CD2 4.5Å; F121-L500 HydrophobicContact CB-CD1 4.38Å; F121-L500 HydrophobicContact CD2-CD1 3.63Å; F121-L500 HydrophobicContact CD2-CD2 3.82Å; F121-L500 HydrophobicContact CD2-CG 4.4Å; F121-L500 HydrophobicContact CE2-CD1 4.03Å; F121-L500 HydrophobicContact CE2-CD2 3.37Å; F121-L500 HydrophobicContact CE2-CG 4.35Å; F121-L500 HydrophobicContact CG-CD1 4.04Å; F121-L500 HydrophobicContact CZ-CD2 4.03Å; F121-L502 HydrophobicContact CD1-CD2 4.11Å; F121-L502 HydrophobicContact CE1-CD1 4.29Å; F121-L502 HydrophobicContact CE1-CD2 3.85Å; F121-L502 HydrophobicContact CZ-CD1 4.04Å; F121-L502 HydrophobicContact CZ-CD2 4.29Å
122	K	89.5	Confident	87.8	Confident	104 Å²	104	58.3 Å²	58.3	45%	0.452	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.1	-177.5	-78.8	-175.2	175.5	-169.3	0	114.3	R117 V118 H119 L124	R117-K122 HydrophobicContact CB-CG 4.24Å; R117-K122 PolarHBondContact NH1-O 2.89Å; V118-K122 PolarHBondContact O-N 3.42Å; H119-K122 PolarHBondContact O-N 3.31Å; K122-L124 VanDerWaalsContact C-N 3.3Å
123	H	89.6	Confident	87.5	Confident	119 Å²	119	53.4 Å²	53.4	55%	0.551	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-19.3	176.3	62.7	-69.6	0	0	0	112.8	L120 F121 F443	L120-H123 PolarHBondContact O-CE1 3.02Å; L120-H123 VanDerWaalsContact O-CE1 3.26Å; L120-H123 PolarHBondContact O-ND1 3.37Å; F121-H123 PolarHBondContact O-N 2.97Å; H123-F443 PolarHBondContact CE1-O 3.36Å; H123-F443 PolarHBondContact NE2-O 2.98Å
124	L	90.7	Very high	87	Confident	14 Å²	14	53.1 Å²	53.1	7%	0.073	27%	0.268	C	S	.	.	S	Bend	trans	-80.4	147.6	172.9	-60.3	-178.2	0	0	0	110.6	R117 F121 K122 Q126 N446 L448	R117-L124 PolarHBondContact NH1-O 2.83Å; F121-L124 HydrophobicContact CB-CD1 4.4Å; F121-L124 HydrophobicContact CD1-CD1 3.79Å; F121-L124 WeakPolarHBondContact O-CB 3.31Å; F121-L124 PolarHBondContact O-N 2.82Å; K122-L124 VanDerWaalsContact C-N 3.3Å; L124-Q126 PolarHBondContact O-N 3.05Å; L124-N446 HydrophobicContact CD1-CB 3.76Å; L124-L448 HydrophobicContact CB-CD1 3.68Å; L124-L448 HydrophobicContact CB-CG 4.04Å; L124-L448 HydrophobicContact CD1-CD1 4.41Å; L124-L448 HydrophobicContact CD1-CD2 4.27Å; L124-L448 HydrophobicContact CD1-CG 4.18Å
125	D	88.3	Confident	86.4	Confident	64 Å²	64	57 Å²	57	34%	0.342	30%	0.295	S	S	.	.			trans	-71.5	123.7	176.2	-167.7	34.8	0	0	0	109.7	Q113	Q113-D125 PolarHBondContact NE2-OD1 2.78Å; Q113-D125 PolarHBondContact OE1-OD1 3.46Å; Q113-D125 VanDerWaalsContact OE1-OD1 3.1Å
126	Q	89.4	Confident	85.6	Confident	4 Å²	4	56 Å²	56	2%	0.019	29%	0.287	C	S	.	.			trans	-135.8	81.1	176	-169	169.4	34.3	0	0	109	Q113 E114 R117 L124 L448 G449	Q113-Q126 WeakPolarHBondContact CA-O 3.34Å; Q113-Q126 PolarHBondContact OE1-O 2.77Å; E114-Q126 HydrophobicContact CB-CG 4.25Å; E114-Q126 PolarHBondContact N-O 2.78Å; R117-Q126 VanDerWaalsContact CG-OE1 3.31Å; L124-Q126 PolarHBondContact O-N 3.05Å; Q126-L448 HydrophobicContact CB-CB 3.86Å; Q126-L448 HydrophobicContact CB-CD1 3.74Å; Q126-L448 HydrophobicContact CB-CG 4.44Å; Q126-L448 HydrophobicContact CG-CB 3.77Å; Q126-L448 HydrophobicContact CG-CD1 4.24Å; Q126-G449 PolarHBondContact NE2-O 3.15Å
127	P	87.8	Confident	84.9	Confident	13 Å²	13	57.3 Å²	57.3	8%	0.084	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-65.1	141	-179.9	26.3	-33.8	0	0	0	111.2	R111 K129	R111-P127 HydrophobicContact CB-CB 3.85Å; R111-P127 HydrophobicContact CG-CB 4.47Å; P127-K129 PolarHBondContact O-N 3.09Å
128	D	87.4	Confident	83.8	Confident	15 Å²	15	58 Å²	58	8%	0.08	32%	0.316	C	S	.	.			trans	-70.4	111.2	173.6	-171	-17.3	0	0	0	110.3	R111 I112 R130 V131	R111-D128 PolarHBondContact NH2-O 2.74Å; I112-D128 PolarHBondContact O-N 2.9Å; D128-R130 PolarHBondContact O-N 3.27Å; D128-R130 WeakPolarHBondContact OD1-CB 3.48Å; D128-R130 WeakPolarHBondContact OD1-CG 3.46Å; D128-R130 IonicContact OD1-CZ 3.82Å; D128-R130 PolarHBondContact OD1-N 3.07Å; D128-R130 IonicContact OD1-NE 3.37Å; D128-R130 PolarHBondContact OD1-NE 3.38Å; D128-R130 IonicContact OD1-NH2 3.78Å; D128-R130 IonicContact OD2-CZ 3.36Å; D128-R130 IonicContact OD2-NE 2.73Å; D128-R130 PolarHBondContact OD2-NE 3.44Å; D128-R130 IonicContact OD2-NH2 2.71Å; D128-R130 PolarHBondContact OD2-NH2 3.31Å; D128-V131 HydrophobicContact CB-CG2 4.17Å; D128-V131 PolarHBondContact O-N 2.92Å; D128-V131 VanDerWaalsContact O-N 3.15Å
129	K	85.9	Confident	82.7	Confident	32 Å²	32	57.7 Å²	57.7	14%	0.139	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-8.7	-179.7	-68.8	-72.5	-176.5	176.3	0	113.8	P127 V131 D157 D450 R459	P127-K129 PolarHBondContact O-N 3.09Å; K129-V131 VanDerWaalsContact C-N 3.31Å; K129-D157 PolarHBondContact NZ-O 2.95Å; K129-D157 IonicContact NZ-OD1 3.22Å; K129-D157 PolarHBondContact NZ-OD1 2.86Å; K129-D450 HydrophobicContact CB-CB 4.5Å; K129-D450 HydrophobicContact CG-CB 4.04Å; K129-R459 PolarHBondContact O-NH1 3.25Å
130	R	83.5	Confident	81.4	Confident	95 Å²	95	52.8 Å²	52.8	36%	0.358	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-20.2	172.1	-57.4	171.2	-64.3	174.9	-0	111.7	E114 D128 Y465 R492	E114-R130 IonicContact OE1-NH2 3.65Å; D128-R130 PolarHBondContact O-N 3.27Å; D128-R130 WeakPolarHBondContact OD1-CB 3.48Å; D128-R130 WeakPolarHBondContact OD1-CG 3.46Å; D128-R130 IonicContact OD1-CZ 3.82Å; D128-R130 PolarHBondContact OD1-N 3.07Å; D128-R130 IonicContact OD1-NE 3.37Å; D128-R130 PolarHBondContact OD1-NE 3.38Å; D128-R130 IonicContact OD1-NH2 3.78Å; D128-R130 IonicContact OD2-CZ 3.36Å; D128-R130 IonicContact OD2-NE 2.73Å; D128-R130 PolarHBondContact OD2-NE 3.44Å; D128-R130 IonicContact OD2-NH2 2.71Å; D128-R130 PolarHBondContact OD2-NH2 3.31Å; R130-Y465 HydrophobicContact CG-CG 4.19Å; R130-R492 VanDerWaalsContact CZ-CD 3.49Å; R130-R492 VanDerWaalsContact NH1-CD 3.25Å
131	V	83	Confident	80.1	Confident	38 Å²	38	54.8 Å²	54.8	23%	0.23	32%	0.321	C	S	.	.	S	Bend	trans	-88.8	117.5	177	-177.6	0	0	0	0	109.7	R111 I112 D128 K129 V133 C136	R111-V131 PolarHBondContact NH2-O 2.92Å; I112-V131 HydrophobicContact CD1-CG1 4.49Å; D128-V131 HydrophobicContact CB-CG2 4.17Å; D128-V131 PolarHBondContact O-N 2.92Å; D128-V131 VanDerWaalsContact O-N 3.15Å; K129-V131 VanDerWaalsContact C-N 3.31Å; V131-V133 PolarHBondContact O-N 3.24Å; V131-C136 WeakPolarHBondContact CG1-SG 3.22Å
132	N	81.6	Confident	78.9	Confident	91 Å²	91	63.2 Å²	63.2	49%	0.487	35%	0.352	S	S	.	.			trans	-73.8	119.2	177.2	-177.9	-51.7	0	0	0	110.7	I134 S135 C136	N132-I134 PolarHBondContact OD1-N 2.92Å; N132-S135 WeakPolarHBondContact CB-OG 3.35Å; N132-S135 PolarHBondContact O-OG 3.01Å; N132-S135 VanDerWaalsContact O-OG 3.07Å; N132-S135 PolarHBondContact OD1-N 3.49Å; N132-C136 PolarHBondContact O-N 3.48Å; N132-C136 PolarHBondContact O-SG 2.99Å; N132-C136 VanDerWaalsContact O-SG 3.37Å
133	V	78.9	Confident	78.1	Confident	9 Å²	9	58.9 Å²	58.9	6%	0.055	34%	0.335	C	S	.	.	H	α-helix	trans	-64.1	-43.6	-176.8	-176.9	0	0	0	0	112.1	V131 C136 L137	V131-V133 PolarHBondContact O-N 3.24Å; V133-C136 PolarHBondContact O-N 3.37Å; V133-L137 HydrophobicContact CG1-CD1 3.72Å; V133-L137 HydrophobicContact CG1-CG 4.29Å; V133-L137 VanDerWaalsContact O-CG 3.25Å; V133-L137 WeakPolarHBondContact O-CG 3.36Å; V133-L137 PolarHBondContact O-N 3.35Å
134	I	78.9	Confident	77.8	Confident	44 Å²	44	54 Å²	54	23%	0.226	31%	0.314	C	S	.	.	H	α-helix	trans	-67.1	-42.6	-173.9	-63.5	-175.7	0	0	0	110.6	N132 L137 G138 L139 V154	N132-I134 PolarHBondContact OD1-N 2.92Å; I134-L137 PolarHBondContact O-N 3.39Å; I134-G138 PolarHBondContact O-N 3.01Å; I134-L139 HydrophobicContact CG2-CB 4.24Å; I134-V154 HydrophobicContact CD1-CG2 3.23Å; I134-V154 HydrophobicContact CG1-CG2 4.43Å
135	S	75.4	Confident	77.7	Confident	84 Å²	84	53.4 Å²	53.4	59%	0.587	31%	0.311	S	S	*	.	H	α-helix	trans	-65.6	-40	177.2	66.9	0	0	0	0	111.7	N132 L137 G138	N132-S135 WeakPolarHBondContact CB-OG 3.35Å; N132-S135 PolarHBondContact O-OG 3.01Å; N132-S135 VanDerWaalsContact O-OG 3.07Å; N132-S135 PolarHBondContact OD1-N 3.49Å; S135-L137 VanDerWaalsContact C-N 3.3Å; S135-L137 PolarHBondContact O-N 3.33Å; S135-G138 PolarHBondContact O-N 3.44Å
136	C	70.5	Confident	77.8	Confident	86 Å²	86	51.3 Å²	51.3	58%	0.581	30%	0.299	S	S	*	.	H	α-helix	trans	-64.3	-33.1	176.3	-75.8	0	0	0	0	113.5	V131 N132 V133 G138	V131-C136 WeakPolarHBondContact CG1-SG 3.22Å; N132-C136 PolarHBondContact O-N 3.48Å; N132-C136 PolarHBondContact O-SG 2.99Å; N132-C136 VanDerWaalsContact O-SG 3.37Å; V133-C136 PolarHBondContact O-N 3.37Å; C136-G138 VanDerWaalsContact C-N 3.26Å; C136-G138 PolarHBondContact O-N 2.94Å
137	L	72	Confident	77.9	Confident	35 Å²	35	54 Å²	54	18%	0.183	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-7	178.1	-67	173.6	0	0	0	113.1	L107 P108 V133 I134 S135 L139 F216 L219	L107-L137 HydrophobicContact CD2-CD1 4.05Å; L107-L137 HydrophobicContact CD2-CD2 4.18Å; P108-L137 HydrophobicContact CG-CD2 3.51Å; V133-L137 HydrophobicContact CG1-CD1 3.72Å; V133-L137 HydrophobicContact CG1-CG 4.29Å; V133-L137 VanDerWaalsContact O-CG 3.25Å; V133-L137 WeakPolarHBondContact O-CG 3.36Å; V133-L137 PolarHBondContact O-N 3.35Å; I134-L137 PolarHBondContact O-N 3.39Å; S135-L137 VanDerWaalsContact C-N 3.3Å; S135-L137 PolarHBondContact O-N 3.33Å; L137-L139 HydrophobicContact CB-CD1 3.73Å; L137-L139 HydrophobicContact CB-CD2 4.34Å; L137-L139 HydrophobicContact CB-CG 3.6Å; L137-L139 HydrophobicContact CD1-CD1 3.74Å; L137-L139 HydrophobicContact CG-CD1 4.4Å; L137-L139 PolarHBondContact O-N 2.89Å; L137-F216 HydrophobicContact CD1-CD2 3.7Å; L137-F216 HydrophobicContact CD1-CE2 3.68Å; L137-L219 HydrophobicContact CD2-CD1 4.43Å
138	G	67.8	Low	78.2	Confident	63 Å²	63	54 Å²	54	65%	0.649	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	27	-179.2	0	0	0	0	0	113.2	I134 S135 C136 G140	I134-G138 PolarHBondContact O-N 3.01Å; S135-G138 PolarHBondContact O-N 3.44Å; C136-G138 VanDerWaalsContact C-N 3.26Å; C136-G138 PolarHBondContact O-N 2.94Å; G138-G140 PolarHBondContact O-N 2.82Å
139	L	67.8	Low	78.5	Confident	28 Å²	28	53.3 Å²	53.3	15%	0.147	31%	0.314	C	S	.	.			trans	-74.4	75.9	-179.6	-59	170.6	0	0	0	108.7	I134 L137 I145 L150 F216	I134-L139 HydrophobicContact CG2-CB 4.24Å; L137-L139 HydrophobicContact CB-CD1 3.73Å; L137-L139 HydrophobicContact CB-CD2 4.34Å; L137-L139 HydrophobicContact CB-CG 3.6Å; L137-L139 HydrophobicContact CD1-CD1 3.74Å; L137-L139 HydrophobicContact CG-CD1 4.4Å; L137-L139 PolarHBondContact O-N 2.89Å; L139-I145 HydrophobicContact CD2-CG1 4.39Å; L139-L150 HydrophobicContact CD1-CD2 3.68Å; L139-F216 HydrophobicContact CD1-CD2 4.19Å; L139-F216 HydrophobicContact CD1-CE2 3.72Å
140	G	61.1	Low	78.8	Confident	50 Å²	50	53.4 Å²	53.4	52%	0.515	32%	0.315	S	S	.	.			trans	-78.2	-154.3	173.3	0	0	0	0	0	112.2	G138 R142 S143	G138-G140 PolarHBondContact O-N 2.82Å; G140-R142 PolarHBondContact O-N 3.49Å; G140-S143 PolarHBondContact O-N 3.09Å
141	T	61.9	Low	79.3	Confident	149 Å²	149	52.9 Å²	52.9	91%	0.914	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-15.1	179	47	0	0	0	0	114.6
142	R	66.6	Low	79.9	Confident	191 Å²	191	51.3 Å²	51.3	72%	0.721	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	48.6	177.2	-62.9	-173.1	178.4	-172.2	-0.8	112.5	G140	G140-R142 PolarHBondContact O-N 3.49Å
143	S	72.8	Confident	80.4	Confident	12 Å²	12	47 Å²	47	8%	0.084	29%	0.29	C	S	.	.			trans	-65.7	133.5	172.3	170	0	0	0	0	111.1	L102 G140 I145	L102-S143 WeakPolarHBondContact CD1-O 3.4Å; G140-S143 PolarHBondContact O-N 3.09Å; S143-I145 PolarHBondContact O-N 3.03Å; S143-I145 WeakPolarHBondContact OG-CA 3.44Å; S143-I145 WeakPolarHBondContact OG-CB 3.45Å; S143-I145 PolarHBondContact OG-N 3Å; S143-I145 PolarHBondContact OG-O 2.97Å
144	S	81.5	Confident	81	Confident	17 Å²	17	48.3 Å²	48.3	12%	0.119	30%	0.298	C	S	.	.	S	Bend	trans	-73.9	-8.9	168.2	63	0	0	0	0	112.9
145	I	88.7	Confident	81.6	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	30%	0.296	C	S	.	.	S	Bend	trans	-95.1	128.4	175.8	-54.2	-58.8	0	0	0	109.1	L107 L139 S143 F149 L150 F216	L107-I145 HydrophobicContact CD1-CD1 4.35Å; L139-I145 HydrophobicContact CD2-CG1 4.39Å; S143-I145 PolarHBondContact O-N 3.03Å; S143-I145 WeakPolarHBondContact OG-CA 3.44Å; S143-I145 WeakPolarHBondContact OG-CB 3.45Å; S143-I145 PolarHBondContact OG-N 3Å; S143-I145 PolarHBondContact OG-O 2.97Å; I145-F149 HydrophobicContact CG2-CB 3.71Å; I145-L150 HydrophobicContact CB-CD2 3.91Å; I145-L150 HydrophobicContact CB-CG 4.35Å; I145-L150 HydrophobicContact CG2-CD2 3.83Å; I145-L150 HydrophobicContact CG2-CG 4.08Å; I145-F216 HydrophobicContact CD1-CB 3.95Å; I145-F216 HydrophobicContact CD1-CG 4.38Å; I145-F216 HydrophobicContact CG1-CB 4.28Å; I145-F216 HydrophobicContact CG1-CD2 4.32Å; I145-F216 HydrophobicContact CG1-CG 4.19Å; I145-F216 HydrophobicContact CG2-CD1 3.88Å; I145-F216 HydrophobicContact CG2-CE1 4.22Å; I145-F216 HydrophobicContact CG2-CG 4.14Å
146	H	91	Very high	82.4	Confident	21 Å²	21	44.1 Å²	44.1	10%	0.097	27%	0.269	C	S	.	.			trans	-59.5	140.7	178.8	-177.9	-92.6	0	0	0	111.9	F99 S148 F149 L150 L178 S181 H213	F99-H146 AromaticContact CE2-CD2 3.49Å; F99-H146 VanDerWaalsContact CE2-CD2 3.49Å; F99-H146 WeakPolarHBondContact CE2-CD2 3.38Å; F99-H146 AromaticContact CZ-CD2 3.83Å; H146-S148 VanDerWaalsContact C-N 3.27Å; H146-S148 VanDerWaalsContact ND1-CB 3.28Å; H146-S148 WeakPolarHBondContact ND1-CB 3.29Å; H146-S148 PolarHBondContact ND1-N 3.47Å; H146-S148 VanDerWaalsContact ND1-N 3.19Å; H146-S148 PolarHBondContact O-N 3.41Å; H146-S148 VanDerWaalsContact O-N 3.14Å; H146-F149 WeakPolarHBondContact O-CB 3.28Å; H146-F149 PolarHBondContact O-N 3.13Å; H146-L150 PolarHBondContact O-N 3.36Å; H146-L150 VanDerWaalsContact O-N 3.08Å; H146-L178 HydrophobicContact CB-CD1 3.63Å; H146-S181 PolarHBondContact CD2-OG 2.85Å; H146-S181 PolarHBondContact NE2-OG 3.12Å; H146-H213 WeakPolarHBondContact CB-NE2 3.41Å; H146-H213 PolarHBondContact N-NE2 3.12Å
147	P	91.3	Very high	83.3	Confident	60 Å²	60	41.2 Å²	41.2	39%	0.39	25%	0.248	S	C	.	.	H	α-helix	trans	-51.6	-39.8	-177	-30.1	34.6	0	0	0	114.9	F99 F149 L150 T151	F99-P147 VanDerWaalsContact CZ-CD 3.47Å; F99-P147 HydrophobicContact CZ-CG 4.32Å; P147-F149 VanDerWaalsContact C-N 3.3Å; P147-F149 PolarHBondContact O-N 2.97Å; P147-L150 WeakPolarHBondContact O-CB 3.46Å; P147-L150 PolarHBondContact O-N 2.92Å; P147-L150 VanDerWaalsContact O-N 3.13Å; P147-T151 PolarHBondContact O-N 2.99Å; P147-T151 PolarHBondContact O-OG1 3.18Å
148	S	94.4	Very high	84	Confident	14 Å²	14	42.9 Å²	42.9	10%	0.098	26%	0.255	C	S	.	.	H	α-helix	trans	-58.8	-41.5	176.6	-168.9	0	0	0	0	112.6	H146 T151 L152 S174 E177	H146-S148 VanDerWaalsContact C-N 3.27Å; H146-S148 VanDerWaalsContact ND1-CB 3.28Å; H146-S148 WeakPolarHBondContact ND1-CB 3.29Å; H146-S148 PolarHBondContact ND1-N 3.47Å; H146-S148 VanDerWaalsContact ND1-N 3.19Å; H146-S148 PolarHBondContact O-N 3.41Å; H146-S148 VanDerWaalsContact O-N 3.14Å; S148-T151 PolarHBondContact O-N 2.96Å; S148-L152 WeakPolarHBondContact O-CB 3.31Å; S148-L152 PolarHBondContact O-N 3.01Å; S148-S174 WeakPolarHBondContact OG-CA 3.36Å; S148-S174 WeakPolarHBondContact OG-CB 3.42Å; S148-S174 PolarHBondContact OG-OG 2.97Å; S148-E177 WeakPolarHBondContact CB-OE2 3.39Å; S148-E177 PolarHBondContact OG-OE2 3.49Å
149	F	94.6	Very high	85	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-71.4	-35.6	176.4	-86.4	-93.5	0	0	0	111.7	I145 H146 P147 L152 G153 F171 S174 L178 H213 F216 L217	I145-F149 HydrophobicContact CG2-CB 3.71Å; H146-F149 WeakPolarHBondContact O-CB 3.28Å; H146-F149 PolarHBondContact O-N 3.13Å; P147-F149 VanDerWaalsContact C-N 3.3Å; P147-F149 PolarHBondContact O-N 2.97Å; F149-L152 PolarHBondContact O-N 3.4Å; F149-G153 PolarHBondContact O-N 3.4Å; F149-F171 HydrophobicContact CE1-CD2 4.22Å; F149-F171 HydrophobicContact CE1-CE2 4.1Å; F149-F171 HydrophobicContact CZ-CE2 4.33Å; F149-S174 WeakPolarHBondContact CE2-O 3.41Å; F149-L178 HydrophobicContact CD2-CB 4.35Å; F149-L178 HydrophobicContact CD2-CD2 4.35Å; F149-L178 HydrophobicContact CE2-CB 3.85Å; F149-L178 HydrophobicContact CE2-CD2 3.7Å; F149-L178 HydrophobicContact CE2-CG 4.34Å; F149-L178 HydrophobicContact CZ-CD2 4.33Å; F149-H213 HydrophobicContact CD1-CB 3.68Å; F149-H213 HydrophobicContact CD2-CB 4.25Å; F149-H213 AromaticContact CD2-CD2 3.45Å; F149-H213 VanDerWaalsContact CD2-CD2 3.45Å; F149-H213 WeakPolarHBondContact CD2-CD2 3.26Å; F149-H213 HydrophobicContact CE1-CB 3.67Å; F149-H213 HydrophobicContact CE2-CB 4.23Å; F149-H213 HydrophobicContact CG-CB 3.98Å; F149-H213 AromaticContact CG-CD2 3.47Å; F149-H213 VanDerWaalsContact CG-CD2 3.47Å; F149-H213 WeakPolarHBondContact CG-CD2 3.18Å; F149-H213 HydrophobicContact CZ-CB 3.95Å; F149-F216 VanDerWaalsContact O-CE1 3.3Å; F149-F216 WeakPolarHBondContact O-CE1 3.47Å; F149-L217 HydrophobicContact CD1-CD1 3.76Å; F149-L217 HydrophobicContact CD1-CD2 4.24Å; F149-L217 HydrophobicContact CD1-CG 3.91Å; F149-L217 HydrophobicContact CE1-CD1 3.68Å; F149-L217 HydrophobicContact CE1-CG 4.29Å
150	L	92.2	Very high	85.9	Confident	34 Å²	34	44.7 Å²	44.7	18%	0.178	24%	0.242	C	C	.	.	H	α-helix	trans	-58.3	-49.4	172.1	-64.7	176.8	0	0	0	110.7	L139 I145 H146 P147 L152 G153 V154 F216	L139-L150 HydrophobicContact CD1-CD2 3.68Å; I145-L150 HydrophobicContact CB-CD2 3.91Å; I145-L150 HydrophobicContact CB-CG 4.35Å; I145-L150 HydrophobicContact CG2-CD2 3.83Å; I145-L150 HydrophobicContact CG2-CG 4.08Å; H146-L150 PolarHBondContact O-N 3.36Å; H146-L150 VanDerWaalsContact O-N 3.08Å; P147-L150 WeakPolarHBondContact O-CB 3.46Å; P147-L150 PolarHBondContact O-N 2.92Å; P147-L150 VanDerWaalsContact O-N 3.13Å; L150-L152 VanDerWaalsContact C-N 3.35Å; L150-L152 PolarHBondContact O-N 3.17Å; L150-G153 PolarHBondContact O-N 3.23Å; L150-V154 WeakPolarHBondContact O-CG2 2.97Å; L150-V154 PolarHBondContact O-N 3.44Å; L150-F216 HydrophobicContact CD2-CE1 4.38Å; L150-F216 HydrophobicContact CD2-CE2 4.29Å; L150-F216 HydrophobicContact CD2-CZ 3.9Å
151	T	93	Very high	87.4	Confident	83 Å²	83	43.8 Å²	43.8	51%	0.509	23%	0.225	S	C	.	.	H	α-helix	trans	-59.4	-45	175.8	-59.1	0	0	0	0	111.5	P147 S148 G153 V154 N155	P147-T151 PolarHBondContact O-N 2.99Å; P147-T151 PolarHBondContact O-OG1 3.18Å; S148-T151 PolarHBondContact O-N 2.96Å; T151-G153 VanDerWaalsContact C-N 3.33Å; T151-G153 PolarHBondContact O-N 3.37Å; T151-V154 PolarHBondContact O-N 2.75Å; T151-N155 WeakPolarHBondContact O-CB 3.02Å; T151-N155 PolarHBondContact O-N 3.49Å; T151-N155 PolarHBondContact O-ND2 3.22Å
152	L	95.4	Very high	88.5	Confident	6 Å²	6	42.2 Å²	42.2	3%	0.031	20%	0.202	C	C	.	.	H	α-helix	trans	-61	-42	176.5	-175	61.5	0	0	0	112	S148 F149 L150 N155 F156 I161 A170 F171 L217	S148-L152 WeakPolarHBondContact O-CB 3.31Å; S148-L152 PolarHBondContact O-N 3.01Å; F149-L152 PolarHBondContact O-N 3.4Å; L150-L152 VanDerWaalsContact C-N 3.35Å; L150-L152 PolarHBondContact O-N 3.17Å; L152-N155 PolarHBondContact O-N 2.9Å; L152-F156 HydrophobicContact CD1-CD1 3.91Å; L152-F156 HydrophobicContact CD1-CE1 3.36Å; L152-F156 HydrophobicContact CD1-CE2 4.22Å; L152-F156 HydrophobicContact CD1-CZ 3.54Å; L152-F156 HydrophobicContact CD2-CE2 4.33Å; L152-F156 HydrophobicContact CD2-CZ 4.2Å; L152-F156 HydrophobicContact CG-CD1 4.42Å; L152-F156 HydrophobicContact CG-CD2 4.42Å; L152-F156 HydrophobicContact CG-CE1 4.08Å; L152-F156 HydrophobicContact CG-CE2 4.07Å; L152-F156 HydrophobicContact CG-CZ 3.89Å; L152-F156 WeakPolarHBondContact O-CB 3.36Å; L152-F156 WeakPolarHBondContact O-CG 3.25Å; L152-F156 PolarHBondContact O-N 3.28Å; L152-I161 HydrophobicContact CD1-CD1 3.93Å; L152-A170 HydrophobicContact CD1-CB 3.59Å; L152-F171 HydrophobicContact CD2-CB 4.3Å; L152-L217 HydrophobicContact CB-CD2 4.22Å; L152-L217 HydrophobicContact CD2-CD1 3.79Å; L152-L217 HydrophobicContact CD2-CD2 4.02Å; L152-L217 HydrophobicContact CG-CD2 3.93Å
153	G	92.9	Very high	89.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.5	-45.5	177.3	0	0	0	0	0	112.7	F149 L150 T151 F156 D157 C220	F149-G153 PolarHBondContact O-N 3.4Å; L150-G153 PolarHBondContact O-N 3.23Å; T151-G153 VanDerWaalsContact C-N 3.33Å; T151-G153 PolarHBondContact O-N 3.37Å; G153-F156 PolarHBondContact O-N 3.23Å; G153-D157 WeakPolarHBondContact O-CB 3.21Å; G153-D157 PolarHBondContact O-N 2.94Å; G153-C220 VanDerWaalsContact CA-SG 3.53Å; G153-C220 WeakPolarHBondContact O-CB 3.46Å
154	V	90.6	Very high	90.5	Very high	37 Å²	37	34.4 Å²	34.4	22%	0.224	18%	0.181	C	C	.	.	H	α-helix	trans	-60.1	-48.5	172.5	178.1	0	0	0	0	110.6	I134 L150 T151 F156 D157 E158	I134-V154 HydrophobicContact CD1-CG2 3.23Å; I134-V154 HydrophobicContact CG1-CG2 4.43Å; L150-V154 WeakPolarHBondContact O-CG2 2.97Å; L150-V154 PolarHBondContact O-N 3.44Å; T151-V154 PolarHBondContact O-N 2.75Å; V154-F156 PolarHBondContact O-N 3.04Å; V154-D157 PolarHBondContact O-N 2.9Å; V154-E158 HydrophobicContact CG1-CG 4.26Å; V154-E158 WeakPolarHBondContact CG1-OE1 3.36Å; V154-E158 WeakPolarHBondContact O-CB 3.35Å; V154-E158 PolarHBondContact O-N 2.97Å
155	N	92.9	Very high	91.1	Very high	34 Å²	34	34 Å²	34	18%	0.182	18%	0.178	C	C	.	.	H	α-helix	trans	-63.1	-32.2	-178.2	-70	-21	0	0	0	112.4	T151 L152 D159 R160 I161	T151-N155 WeakPolarHBondContact O-CB 3.02Å; T151-N155 PolarHBondContact O-N 3.49Å; T151-N155 PolarHBondContact O-ND2 3.22Å; L152-N155 PolarHBondContact O-N 2.9Å; N155-D159 PolarHBondContact O-N 3.16Å; N155-R160 HydrophobicContact CB-CB 4.3Å; N155-R160 PolarHBondContact O-N 3.11Å; N155-R160 WeakPolarHBondContact OD1-CD 3.39Å; N155-R160 PolarHBondContact OD1-NH1 3.18Å; N155-I161 HydrophobicContact CB-CD1 3.72Å; N155-I161 HydrophobicContact CB-CG1 4.05Å
156	F	92.2	Very high	91.5	Very high	5 Å²	5	38.2 Å²	38.2	2%	0.022	20%	0.198	C	C	.	.	H	α-helix	trans	-74.7	-44.3	173.9	-78	5.3	0	0	0	112.4	L152 G153 V154 D159 I161 K167 L217 R221 I227	L152-F156 HydrophobicContact CD1-CD1 3.91Å; L152-F156 HydrophobicContact CD1-CE1 3.36Å; L152-F156 HydrophobicContact CD1-CE2 4.22Å; L152-F156 HydrophobicContact CD1-CZ 3.54Å; L152-F156 HydrophobicContact CD2-CE2 4.33Å; L152-F156 HydrophobicContact CD2-CZ 4.2Å; L152-F156 HydrophobicContact CG-CD1 4.42Å; L152-F156 HydrophobicContact CG-CD2 4.42Å; L152-F156 HydrophobicContact CG-CE1 4.08Å; L152-F156 HydrophobicContact CG-CE2 4.07Å; L152-F156 HydrophobicContact CG-CZ 3.89Å; L152-F156 WeakPolarHBondContact O-CB 3.36Å; L152-F156 WeakPolarHBondContact O-CG 3.25Å; L152-F156 PolarHBondContact O-N 3.28Å; G153-F156 PolarHBondContact O-N 3.23Å; V154-F156 PolarHBondContact O-N 3.04Å; F156-D159 PolarHBondContact O-N 3.49Å; F156-I161 HydrophobicContact CD1-CD1 4.21Å; F156-I161 HydrophobicContact CE1-CB 4.46Å; F156-I161 HydrophobicContact CE1-CD1 4Å; F156-K167 HydrophobicContact CE1-CB 4.13Å; F156-K167 HydrophobicContact CE1-CG 3.95Å; F156-K167 HydrophobicContact CZ-CB 4.12Å; F156-K167 HydrophobicContact CZ-CG 4.36Å; F156-L217 HydrophobicContact CD2-CD2 4.21Å; F156-L217 HydrophobicContact CE2-CD1 4.35Å; F156-L217 HydrophobicContact CE2-CD2 4.42Å; F156-R221 HydrophobicContact CB-CB 4.3Å; F156-R221 VanDerWaalsContact O-CD 3.26Å; F156-R221 WeakPolarHBondContact O-CD 3.39Å; F156-R221 PolarHBondContact O-NH1 3.21Å; F156-I227 HydrophobicContact CE2-CD1 3.58Å; F156-I227 HydrophobicContact CZ-CD1 3.66Å
157	D	89.1	Confident	91.7	Very high	25 Å²	25	37.6 Å²	37.6	13%	0.134	20%	0.195	C	C	.	.	H	α-helix	trans	-65.9	-38.8	-180	-171.7	45.5	0	0	0	111.9	R111 K129 G153 V154 D159 C220	R111-D157 IonicContact CZ-OD1 3.02Å; R111-D157 IonicContact NH1-OD1 2.86Å; R111-D157 PolarHBondContact NH1-OD1 3.07Å; R111-D157 IonicContact NH1-OD2 2.87Å; R111-D157 IonicContact NH2-OD1 2.96Å; R111-D157 IonicContact NH2-OD2 3.87Å; K129-D157 PolarHBondContact NZ-O 2.95Å; K129-D157 IonicContact NZ-OD1 3.22Å; K129-D157 PolarHBondContact NZ-OD1 2.86Å; G153-D157 WeakPolarHBondContact O-CB 3.21Å; G153-D157 PolarHBondContact O-N 2.94Å; V154-D157 PolarHBondContact O-N 2.9Å; D157-D159 VanDerWaalsContact C-N 3.3Å; D157-D159 PolarHBondContact O-N 3.19Å; D157-C220 HydrophobicContact CB-CB 4.29Å; D157-C220 VanDerWaalsContact OD1-O 3.14Å
158	E	86.6	Confident	92	Very high	70 Å²	70	34.7 Å²	34.7	33%	0.327	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	9.7	178.4	-64.7	-174.3	-165.7	0	0	113.8	V154 R160	V154-E158 HydrophobicContact CG1-CG 4.26Å; V154-E158 WeakPolarHBondContact CG1-OE1 3.36Å; V154-E158 WeakPolarHBondContact O-CB 3.35Å; V154-E158 PolarHBondContact O-N 2.97Å; E158-R160 HydrophobicContact CB-CG 4.04Å; E158-R160 PolarHBondContact O-N 2.88Å; E158-R160 VanDerWaalsContact O-N 3.15Å; E158-R160 IonicContact OE1-NH2 3.83Å; E158-R160 IonicContact OE2-CZ 2.69Å; E158-R160 IonicContact OE2-NE 3.25Å; E158-R160 PolarHBondContact OE2-NE 3.25Å; E158-R160 IonicContact OE2-NH2 2.68Å; E158-R160 PolarHBondContact OE2-NH2 3.05Å
159	D	87.8	Confident	92.1	Very high	24 Å²	24	35 Å²	35	13%	0.128	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	32.7	177.4	-84.3	36	0	0	0	114.2	N155 F156 D157 W162 R221 K356	N155-D159 PolarHBondContact O-N 3.16Å; F156-D159 PolarHBondContact O-N 3.49Å; D157-D159 VanDerWaalsContact C-N 3.3Å; D157-D159 PolarHBondContact O-N 3.19Å; D159-W162 PolarHBondContact O-NE1 2.93Å; D159-R221 IonicContact OD1-CZ 3.33Å; D159-R221 IonicContact OD1-NE 3.74Å; D159-R221 IonicContact OD1-NH1 2.71Å; D159-R221 PolarHBondContact OD1-NH1 3.07Å; D159-R221 IonicContact OD1-NH2 3.63Å; D159-R221 PolarHBondContact OD1-NH2 2.88Å; D159-R221 IonicContact OD2-CZ 2.64Å; D159-R221 IonicContact OD2-NH1 2.83Å; D159-R221 PolarHBondContact OD2-NH1 2.84Å; D159-R221 IonicContact OD2-NH2 2.75Å; D159-R221 PolarHBondContact OD2-NH2 3.37Å; D159-K356 IonicContact OD2-NZ 3Å; D159-K356 PolarHBondContact OD2-NZ 3.19Å
160	R	88.3	Confident	92.3	Very high	106 Å²	106	36.1 Å²	36.1	40%	0.4	19%	0.186	S	C	.	.			trans	-77.8	-22.3	179.7	-61.8	-177.8	-170.3	175.9	-3.7	113.6	N155 E158	N155-R160 HydrophobicContact CB-CB 4.3Å; N155-R160 PolarHBondContact O-N 3.11Å; N155-R160 WeakPolarHBondContact OD1-CD 3.39Å; N155-R160 PolarHBondContact OD1-NH1 3.18Å; E158-R160 HydrophobicContact CB-CG 4.04Å; E158-R160 PolarHBondContact O-N 2.88Å; E158-R160 VanDerWaalsContact O-N 3.15Å; E158-R160 IonicContact OE1-NH2 3.83Å; E158-R160 IonicContact OE2-CZ 2.69Å; E158-R160 IonicContact OE2-NE 3.25Å; E158-R160 PolarHBondContact OE2-NE 3.25Å; E158-R160 IonicContact OE2-NH2 2.68Å; E158-R160 PolarHBondContact OE2-NH2 3.05Å
161	I	90.8	Very high	92.6	Very high	31 Å²	31	34.5 Å²	34.5	16%	0.159	18%	0.177	C	C	.	.	S	Bend	trans	-108.1	116.1	177.6	-59.5	168.8	0	0	0	108.9	L152 N155 F156 E166 K167 A170	L152-I161 HydrophobicContact CD1-CD1 3.93Å; N155-I161 HydrophobicContact CB-CD1 3.72Å; N155-I161 HydrophobicContact CB-CG1 4.05Å; F156-I161 HydrophobicContact CD1-CD1 4.21Å; F156-I161 HydrophobicContact CE1-CB 4.46Å; F156-I161 HydrophobicContact CE1-CD1 4Å; I161-E166 HydrophobicContact CG2-CB 3.78Å; I161-K167 HydrophobicContact CG2-CG 3.94Å; I161-K167 WeakPolarHBondContact O-CE 3.4Å; I161-A170 HydrophobicContact CD1-CB 3.86Å
162	W	84.9	Confident	92.8	Very high	115 Å²	115	30.6 Å²	30.6	44%	0.436	15%	0.153	S	C	.	.			trans	-103.1	145.5	-179.3	-53.3	-63.5	0	0	0	112.3	D159 E166	D159-W162 PolarHBondContact O-NE1 2.93Å; W162-E166 WeakPolarHBondContact O-CB 3.28Å; W162-E166 WeakPolarHBondContact O-CG 3.44Å
163	G	89.8	Confident	92.9	Very high	29 Å²	29	32.2 Å²	32.2	30%	0.299	17%	0.165	S	C	.	.	S	Bend	trans	88.9	147	176.5	0	0	0	0	0	114.4	N165 K167	G163-N165 PolarHBondContact O-N 3Å; G163-K167 WeakPolarHBondContact O-CB 3.16Å; G163-K167 VanDerWaalsContact O-CG 3.28Å; G163-K167 WeakPolarHBondContact O-CG 3.28Å; G163-K167 PolarHBondContact O-N 3.38Å; G163-K167 VanDerWaalsContact O-N 3.16Å
164	S	92.5	Very high	93.2	Very high	10 Å²	10	32.5 Å²	32.5	7%	0.07	17%	0.167	C	C	.	.	H	α-helix	trans	-69.4	-30.7	-176.4	53	0	0	0	0	113.5	C168 T226 K433	S164-C168 WeakPolarHBondContact O-CB 3.44Å; S164-C168 PolarHBondContact O-N 2.82Å; S164-T226 PolarHBondContact O-OG1 3.1Å; S164-K433 VanDerWaalsContact OG-CE 3.27Å; S164-K433 WeakPolarHBondContact OG-CE 3.21Å; S164-K433 PolarHBondContact OG-NZ 2.73Å
165	N	94.8	Very high	93.5	Very high	8 Å²	8	30.8 Å²	30.8	4%	0.043	16%	0.157	C	C	.	.	H	α-helix	trans	-71.6	-51.6	176.4	-69.8	15.1	0	0	0	111.1	G163 K167 C168 L169 E430 Y432 K433	G163-N165 PolarHBondContact O-N 3Å; N165-K167 VanDerWaalsContact C-N 3.34Å; N165-K167 PolarHBondContact O-N 2.98Å; N165-C168 CarbonylContact O-C 3.53Å; N165-C168 WeakPolarHBondContact O-CB 3.3Å; N165-C168 PolarHBondContact O-N 2.78Å; N165-L169 WeakPolarHBondContact O-CG 3.38Å; N165-L169 PolarHBondContact O-N 2.69Å; N165-E430 PolarHBondContact ND2-OE1 2.93Å; N165-Y432 PolarHBondContact OD1-OH 2.95Å; N165-K433 WeakPolarHBondContact OD1-CE 3.38Å; N165-K433 PolarHBondContact OD1-NZ 3.24Å
166	E	95.7	Very high	93.6	Very high	91 Å²	91	30 Å²	30	43%	0.425	15%	0.152	S	C	.	.	H	α-helix	trans	-61.6	-42.5	-178.7	-61.6	-56	140.4	0	0	111.7	I161 W162 C168 L169 A170	I161-E166 HydrophobicContact CG2-CB 3.78Å; W162-E166 WeakPolarHBondContact O-CB 3.28Å; W162-E166 WeakPolarHBondContact O-CG 3.44Å; E166-C168 VanDerWaalsContact C-N 3.29Å; E166-C168 PolarHBondContact O-N 3.48Å; E166-L169 PolarHBondContact O-N 3.21Å; E166-A170 WeakPolarHBondContact O-CB 3.27Å; E166-A170 PolarHBondContact O-N 3.11Å
167	K	95.7	Very high	93.8	Very high	7 Å²	7	34 Å²	34	3%	0.03	17%	0.171	C	C	.	.	H	α-helix	trans	-56.5	-44.3	173	-74.5	179.7	179	-175.9	0	111.7	F156 I161 G163 N165 F171 R221 I227	F156-K167 HydrophobicContact CE1-CB 4.13Å; F156-K167 HydrophobicContact CE1-CG 3.95Å; F156-K167 HydrophobicContact CZ-CB 4.12Å; F156-K167 HydrophobicContact CZ-CG 4.36Å; I161-K167 HydrophobicContact CG2-CG 3.94Å; I161-K167 WeakPolarHBondContact O-CE 3.4Å; G163-K167 WeakPolarHBondContact O-CB 3.16Å; G163-K167 VanDerWaalsContact O-CG 3.28Å; G163-K167 WeakPolarHBondContact O-CG 3.28Å; G163-K167 PolarHBondContact O-N 3.38Å; G163-K167 VanDerWaalsContact O-N 3.16Å; N165-K167 VanDerWaalsContact C-N 3.34Å; N165-K167 PolarHBondContact O-N 2.98Å; K167-F171 WeakPolarHBondContact O-CB 3.34Å; K167-F171 PolarHBondContact O-N 3.03Å; K167-R221 VanDerWaalsContact NZ-NH1 3.2Å; K167-I227 HydrophobicContact CB-CD1 4.26Å
168	C	97.1	Very high	94.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-68.4	-41.5	178.2	-168	0	0	0	0	112.4	S164 N165 E166 F171 L172 Y432	S164-C168 WeakPolarHBondContact O-CB 3.44Å; S164-C168 PolarHBondContact O-N 2.82Å; N165-C168 CarbonylContact O-C 3.53Å; N165-C168 WeakPolarHBondContact O-CB 3.3Å; N165-C168 PolarHBondContact O-N 2.78Å; E166-C168 VanDerWaalsContact C-N 3.29Å; E166-C168 PolarHBondContact O-N 3.48Å; C168-F171 WeakPolarHBondContact O-CB 3.45Å; C168-F171 PolarHBondContact O-N 3Å; C168-L172 VanDerWaalsContact O-CG 3.29Å; C168-L172 WeakPolarHBondContact O-CG 3.42Å; C168-L172 PolarHBondContact O-N 2.85Å; C168-Y432 HydrophobicContact CB-CE2 4.39Å
169	L	97.8	Very high	94.4	Very high	19 Å²	19	29.5 Å²	29.5	10%	0.099	15%	0.149	C	C	.	.	H	α-helix	trans	-63.9	-42.8	178.1	-71.9	172.2	0	0	0	111.4	N165 E166 L172 S173 R262 I266 Y267	N165-L169 WeakPolarHBondContact O-CG 3.38Å; N165-L169 PolarHBondContact O-N 2.69Å; E166-L169 PolarHBondContact O-N 3.21Å; L169-L172 PolarHBondContact O-N 2.97Å; L169-S173 PolarHBondContact O-N 2.91Å; L169-S173 PolarHBondContact O-OG 2.88Å; L169-S173 VanDerWaalsContact O-OG 3.14Å; L169-R262 HydrophobicContact CD2-CG 3.69Å; L169-I266 HydrophobicContact CD2-CD1 3.71Å; L169-I266 HydrophobicContact CD2-CG2 4.31Å; L169-I266 HydrophobicContact CG-CD1 4.23Å; L169-Y267 HydrophobicContact CD1-CE1 4.25Å; L169-Y267 HydrophobicContact CD2-CE1 4.33Å
170	A	97.8	Very high	94.6	Very high	25 Å²	25	35.1 Å²	35.1	21%	0.207	17%	0.168	C	C	.	.	H	α-helix	trans	-62.6	-43.2	175.1	0	0	0	0	0	111.5	L152 I161 E166 S173 S174	L152-A170 HydrophobicContact CD1-CB 3.59Å; I161-A170 HydrophobicContact CD1-CB 3.86Å; E166-A170 WeakPolarHBondContact O-CB 3.27Å; E166-A170 PolarHBondContact O-N 3.11Å; A170-S173 PolarHBondContact O-N 2.88Å; A170-S174 PolarHBondContact O-N 2.73Å; A170-S174 PolarHBondContact O-OG 2.81Å
171	F	98.1	Very high	94.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-57.9	-48.4	172.9	170.2	-106.3	0	0	0	112.6	F149 L152 K167 C168 S173 S174 C175 V214 L217 I227 A230 L234	F149-F171 HydrophobicContact CE1-CD2 4.22Å; F149-F171 HydrophobicContact CE1-CE2 4.1Å; F149-F171 HydrophobicContact CZ-CE2 4.33Å; L152-F171 HydrophobicContact CD2-CB 4.3Å; K167-F171 WeakPolarHBondContact O-CB 3.34Å; K167-F171 PolarHBondContact O-N 3.03Å; C168-F171 WeakPolarHBondContact O-CB 3.45Å; C168-F171 PolarHBondContact O-N 3Å; F171-S173 PolarHBondContact O-N 3.45Å; F171-S174 PolarHBondContact O-N 2.9Å; F171-C175 VanDerWaalsContact CZ-SG 3.55Å; F171-C175 PolarHBondContact O-N 3.48Å; F171-C175 PolarHBondContact O-SG 3.27Å; F171-C175 VanDerWaalsContact O-SG 3.4Å; F171-V214 HydrophobicContact CE2-CG2 4.03Å; F171-V214 HydrophobicContact CZ-CG2 4.22Å; F171-L217 HydrophobicContact CD2-CD1 3.79Å; F171-L217 HydrophobicContact CE2-CD1 4.21Å; F171-I227 HydrophobicContact CB-CD1 4.25Å; F171-I227 HydrophobicContact CB-CG1 4.1Å; F171-I227 HydrophobicContact CB-CG2 4.48Å; F171-I227 HydrophobicContact CD1-CG2 3.91Å; F171-I227 HydrophobicContact CD2-CG2 3.98Å; F171-I227 HydrophobicContact CE1-CG2 4.08Å; F171-I227 HydrophobicContact CE2-CG2 4.15Å; F171-I227 HydrophobicContact CG-CG1 4.33Å; F171-I227 HydrophobicContact CG-CG2 3.84Å; F171-I227 HydrophobicContact CZ-CG2 4.2Å; F171-A230 HydrophobicContact CD1-CB 4.4Å; F171-A230 HydrophobicContact CE1-CB 4.26Å; F171-L234 HydrophobicContact CE1-CD1 4.21Å; F171-L234 HydrophobicContact CZ-CD1 4.46Å
172	L	98	Very high	94.5	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-62.9	-41.1	179	-67.7	171.8	0	0	0	111.9	C168 L169 C175 E176 A230 I258 F261 R262 I266	C168-L172 VanDerWaalsContact O-CG 3.29Å; C168-L172 WeakPolarHBondContact O-CG 3.42Å; C168-L172 PolarHBondContact O-N 2.85Å; L169-L172 PolarHBondContact O-N 2.97Å; L172-C175 WeakPolarHBondContact O-CB 3.5Å; L172-C175 PolarHBondContact O-N 3.22Å; L172-E176 WeakPolarHBondContact O-CG 3.44Å; L172-E176 PolarHBondContact O-N 3.44Å; L172-A230 HydrophobicContact CD2-CB 4.26Å; L172-I258 HydrophobicContact CB-CG2 4.23Å; L172-I258 HydrophobicContact CD2-CG2 4.2Å; L172-F261 HydrophobicContact CD1-CD1 3.83Å; L172-F261 HydrophobicContact CD1-CE1 4.18Å; L172-F261 HydrophobicContact CD2-CD1 4.35Å; L172-R262 HydrophobicContact CD1-CB 4.27Å; L172-R262 HydrophobicContact CD1-CG 4.49Å; L172-I266 HydrophobicContact CD1-CD1 4.02Å
173	S	97.9	Very high	94.4	Very high	39 Å²	39	28 Å²	28	27%	0.273	15%	0.148	S	C	.	.	H	α-helix	trans	-63.2	-42.1	175.2	-63.9	0	0	0	0	112.1	L169 A170 F171 C175 E176 E177 R262	L169-S173 PolarHBondContact O-N 2.91Å; L169-S173 PolarHBondContact O-OG 2.88Å; L169-S173 VanDerWaalsContact O-OG 3.14Å; A170-S173 PolarHBondContact O-N 2.88Å; F171-S173 PolarHBondContact O-N 3.45Å; S173-C175 VanDerWaalsContact C-N 3.34Å; S173-C175 PolarHBondContact O-N 3.33Å; S173-E176 PolarHBondContact O-N 3.38Å; S173-E177 PolarHBondContact O-N 3.05Å; S173-R262 PolarHBondContact OG-NH1 3.5Å; S173-R262 VanDerWaalsContact OG-NH1 3.14Å
174	S	97.8	Very high	93.5	Very high	7 Å²	7	29.9 Å²	29.9	5%	0.049	16%	0.155	C	C	.	.	H	α-helix	trans	-64.7	-35.7	173.7	-66.4	0	0	0	0	112.9	S148 F149 A170 F171 E177 L178	S148-S174 WeakPolarHBondContact OG-CA 3.36Å; S148-S174 WeakPolarHBondContact OG-CB 3.42Å; S148-S174 PolarHBondContact OG-OG 2.97Å; F149-S174 WeakPolarHBondContact CE2-O 3.41Å; A170-S174 PolarHBondContact O-N 2.73Å; A170-S174 PolarHBondContact O-OG 2.81Å; F171-S174 PolarHBondContact O-N 2.9Å; S174-E177 PolarHBondContact O-N 3.11Å; S174-L178 WeakPolarHBondContact O-CB 3.35Å; S174-L178 PolarHBondContact O-N 3.48Å
175	C	97	Very high	92.2	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.007	17%	0.173	C	C	.	.	H	α-helix	trans	-61.1	-45.6	171.3	-73.5	0	0	0	0	111.6	F171 L172 S173 E177 L178 I179 I258	F171-C175 VanDerWaalsContact CZ-SG 3.55Å; F171-C175 PolarHBondContact O-N 3.48Å; F171-C175 PolarHBondContact O-SG 3.27Å; F171-C175 VanDerWaalsContact O-SG 3.4Å; L172-C175 WeakPolarHBondContact O-CB 3.5Å; L172-C175 PolarHBondContact O-N 3.22Å; S173-C175 VanDerWaalsContact C-N 3.34Å; S173-C175 PolarHBondContact O-N 3.33Å; C175-E177 PolarHBondContact O-N 2.82Å; C175-L178 WeakPolarHBondContact O-CB 3.46Å; C175-L178 PolarHBondContact O-N 2.93Å; C175-I179 WeakPolarHBondContact O-CD1 3.35Å; C175-I179 WeakPolarHBondContact O-CG1 3.43Å; C175-I179 PolarHBondContact O-N 3.18Å; C175-I258 HydrophobicContact CB-CD1 4.25Å
176	E	96.8	Very high	90.3	Very high	16 Å²	16	36.9 Å²	36.9	8%	0.075	19%	0.192	C	C	.	.	H	α-helix	trans	-63.3	-42.3	178.4	-66.5	-178	-176.3	0	0	112.7	L172 S173 L178 I179 R180 L255 I258 R262	L172-E176 WeakPolarHBondContact O-CG 3.44Å; L172-E176 PolarHBondContact O-N 3.44Å; S173-E176 PolarHBondContact O-N 3.38Å; E176-L178 VanDerWaalsContact C-N 3.35Å; E176-I179 PolarHBondContact O-N 3.42Å; E176-R180 VanDerWaalsContact CB-NH1 3.28Å; E176-R180 WeakPolarHBondContact O-CB 3.42Å; E176-R180 VanDerWaalsContact O-CG 3.28Å; E176-R180 WeakPolarHBondContact O-CG 3.42Å; E176-R180 PolarHBondContact O-N 3.01Å; E176-R180 IonicContact OE2-CZ 3.64Å; E176-R180 IonicContact OE2-NH1 2.75Å; E176-R180 PolarHBondContact OE2-NH1 3.3Å; E176-R180 IonicContact OE2-NH2 3.97Å; E176-R180 PolarHBondContact OE2-NH2 3.31Å; E176-L255 HydrophobicContact CB-CD2 4.1Å; E176-L255 HydrophobicContact CG-CD2 4.11Å; E176-I258 HydrophobicContact CG-CB 4.43Å; E176-I258 HydrophobicContact CG-CD1 4.3Å; E176-I258 HydrophobicContact CG-CG2 3.72Å; E176-I258 WeakPolarHBondContact OE1-CG2 3.44Å; E176-R262 IonicContact OE1-CZ 3.97Å; E176-R262 IonicContact OE1-NE 3.46Å; E176-R262 IonicContact OE1-NH2 3.55Å; E176-R262 PolarHBondContact OE1-NH2 2.88Å; E176-R262 IonicContact OE2-NH2 2.78Å
177	E	95.6	Very high	88	Confident	89 Å²	89	38.1 Å²	38.1	42%	0.416	21%	0.208	S	C	.	.	H	α-helix	trans	-62.3	-43.1	175.3	-73.8	169.7	-158.1	0	0	111.6	S148 S173 S174 C175 I179 R180 S181	S148-E177 WeakPolarHBondContact CB-OE2 3.39Å; S148-E177 PolarHBondContact OG-OE2 3.49Å; S173-E177 PolarHBondContact O-N 3.05Å; S174-E177 PolarHBondContact O-N 3.11Å; C175-E177 PolarHBondContact O-N 2.82Å; E177-I179 PolarHBondContact O-N 3.42Å; E177-R180 PolarHBondContact O-N 2.89Å; E177-S181 WeakPolarHBondContact O-CB 3.33Å; E177-S181 PolarHBondContact O-N 3.33Å; E177-S181 PolarHBondContact O-OG 3.24Å
178	L	94.7	Very high	85.7	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-58	-48.2	174.6	175.7	66.4	0	0	0	111	H146 F149 S174 C175 E176 S181 F182 F206 V209 L210	H146-L178 HydrophobicContact CB-CD1 3.63Å; F149-L178 HydrophobicContact CD2-CB 4.35Å; F149-L178 HydrophobicContact CD2-CD2 4.35Å; F149-L178 HydrophobicContact CE2-CB 3.85Å; F149-L178 HydrophobicContact CE2-CD2 3.7Å; F149-L178 HydrophobicContact CE2-CG 4.34Å; F149-L178 HydrophobicContact CZ-CD2 4.33Å; S174-L178 WeakPolarHBondContact O-CB 3.35Å; S174-L178 PolarHBondContact O-N 3.48Å; C175-L178 WeakPolarHBondContact O-CB 3.46Å; C175-L178 PolarHBondContact O-N 2.93Å; E176-L178 VanDerWaalsContact C-N 3.35Å; L178-S181 PolarHBondContact O-N 3.35Å; L178-S181 PolarHBondContact O-OG 3.05Å; L178-F182 WeakPolarHBondContact O-CB 3.25Å; L178-F182 PolarHBondContact O-N 2.95Å; L178-F182 VanDerWaalsContact O-N 3.11Å; L178-F206 HydrophobicContact CD2-CE2 4Å; L178-F206 HydrophobicContact CD2-CZ 4.03Å; L178-F206 HydrophobicContact CG-CE2 3.97Å; L178-F206 HydrophobicContact CG-CZ 4.35Å; L178-V209 HydrophobicContact CD1-CG1 4.36Å; L178-V209 HydrophobicContact CD2-CG1 4.5Å; L178-L210 HydrophobicContact CD2-CD1 4.45Å
179	I	93.2	Very high	83.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.5	-43.6	-179.9	-63.9	153.4	0	0	0	111.5	C175 E176 E177 S181 F182 F202 F206 R251 F254 L255 I258	C175-I179 WeakPolarHBondContact O-CD1 3.35Å; C175-I179 WeakPolarHBondContact O-CG1 3.43Å; C175-I179 PolarHBondContact O-N 3.18Å; E176-I179 PolarHBondContact O-N 3.42Å; E177-I179 PolarHBondContact O-N 3.42Å; I179-S181 PolarHBondContact O-N 2.95Å; I179-F182 WeakPolarHBondContact O-CB 3.39Å; I179-F182 PolarHBondContact O-N 2.91Å; I179-F182 VanDerWaalsContact O-N 3.11Å; I179-F202 HydrophobicContact CG2-CE2 4.43Å; I179-F202 HydrophobicContact CG2-CZ 4.1Å; I179-F206 HydrophobicContact CD1-CZ 4.23Å; I179-F206 HydrophobicContact CG1-CE1 4.1Å; I179-F206 HydrophobicContact CG1-CE2 3.71Å; I179-F206 HydrophobicContact CG1-CZ 3.38Å; I179-R251 HydrophobicContact CG2-CG 3.59Å; I179-F254 HydrophobicContact CD1-CD1 3.45Å; I179-F254 VanDerWaalsContact CD1-CD1 3.45Å; I179-F254 HydrophobicContact CD1-CE1 3.44Å; I179-F254 VanDerWaalsContact CD1-CE1 3.44Å; I179-F254 HydrophobicContact CG1-CD1 4Å; I179-F254 HydrophobicContact CG1-CE1 4.02Å; I179-L255 HydrophobicContact CB-CD2 3.96Å; I179-L255 HydrophobicContact CB-CG 4.48Å; I179-L255 HydrophobicContact CD1-CD2 3.93Å; I179-L255 HydrophobicContact CG2-CD1 4.19Å; I179-L255 HydrophobicContact CG2-CD2 3.85Å; I179-L255 HydrophobicContact CG2-CG 3.8Å; I179-I258 HydrophobicContact CD1-CD1 3.27Å
180	R	92.4	Very high	80.5	Confident	142 Å²	142	51 Å²	51	54%	0.536	28%	0.279	S	S	.	.	H	α-helix	trans	-65.1	-29.2	178.9	-71.1	178.3	-168.3	113.2	5.8	112.8	E176 E177 L255	E176-R180 VanDerWaalsContact CB-NH1 3.28Å; E176-R180 WeakPolarHBondContact O-CB 3.42Å; E176-R180 VanDerWaalsContact O-CG 3.28Å; E176-R180 WeakPolarHBondContact O-CG 3.42Å; E176-R180 PolarHBondContact O-N 3.01Å; E176-R180 IonicContact OE2-CZ 3.64Å; E176-R180 IonicContact OE2-NH1 2.75Å; E176-R180 PolarHBondContact OE2-NH1 3.3Å; E176-R180 IonicContact OE2-NH2 3.97Å; E176-R180 PolarHBondContact OE2-NH2 3.31Å; E177-R180 PolarHBondContact O-N 2.89Å; R180-L255 HydrophobicContact CG-CD1 4.33Å
181	S	89.7	Confident	77.8	Confident	28 Å²	28	56.3 Å²	56.3	20%	0.196	30%	0.303	C	S	.	.	H	α-helix	trans	-85.2	-9.7	175.7	75.4	0	0	0	0	113.7	H146 E177 L178 I179 I183	H146-S181 PolarHBondContact CD2-OG 2.85Å; H146-S181 PolarHBondContact NE2-OG 3.12Å; E177-S181 WeakPolarHBondContact O-CB 3.33Å; E177-S181 PolarHBondContact O-N 3.33Å; E177-S181 PolarHBondContact O-OG 3.24Å; L178-S181 PolarHBondContact O-N 3.35Å; L178-S181 PolarHBondContact O-OG 3.05Å; I179-S181 PolarHBondContact O-N 2.95Å; S181-I183 PolarHBondContact O-N 2.94Å
182	F	87.8	Confident	75.1	Confident	14 Å²	14	63.6 Å²	63.6	6%	0.061	34%	0.341	C	S	.	.			trans	-80.6	121.1	-172.1	-167.1	-117.6	0	0	0	111	L178 I179 F202 F206 V209 W247	L178-F182 WeakPolarHBondContact O-CB 3.25Å; L178-F182 PolarHBondContact O-N 2.95Å; L178-F182 VanDerWaalsContact O-N 3.11Å; I179-F182 WeakPolarHBondContact O-CB 3.39Å; I179-F182 PolarHBondContact O-N 2.91Å; I179-F182 VanDerWaalsContact O-N 3.11Å; F182-F202 HydrophobicContact CD1-CD2 4.26Å; F182-F202 AromaticContact CD1-CE2 3.91Å; F182-F202 HydrophobicContact CD1-CE2 3.91Å; F182-F202 HydrophobicContact CE1-CE2 4.47Å; F182-F206 HydrophobicContact CD1-CB 4.34Å; F182-F206 AromaticContact CD1-CD2 3.8Å; F182-F206 HydrophobicContact CD1-CD2 3.8Å; F182-F206 HydrophobicContact CD2-CD2 4.34Å; F182-F206 HydrophobicContact CE1-CB 3.84Å; F182-F206 HydrophobicContact CE1-CD2 4.01Å; F182-F206 HydrophobicContact CE1-CG 4.44Å; F182-F206 AromaticContact CG-CD2 3.97Å; F182-F206 HydrophobicContact CG-CD2 3.97Å; F182-F206 HydrophobicContact CZ-CB 4.33Å; F182-F206 HydrophobicContact CZ-CD2 4.4Å; F182-V209 HydrophobicContact CE2-CB 4.49Å; F182-V209 HydrophobicContact CE2-CG1 4.46Å; F182-V209 HydrophobicContact CE2-CG2 3.97Å; F182-V209 HydrophobicContact CZ-CG2 4.33Å; F182-W247 HydrophobicContact CD1-CH2 4.16Å; F182-W247 AromaticContact CD1-CZ2 3.64Å; F182-W247 HydrophobicContact CD1-CZ2 3.64Å; F182-W247 AromaticContact CE1-CH2 3.59Å; F182-W247 HydrophobicContact CE1-CH2 3.59Å; F182-W247 AromaticContact CE1-CZ2 3.57Å; F182-W247 HydrophobicContact CE1-CZ2 3.57Å
183	I	81.4	Confident	72.5	Confident	61 Å²	61	66 Å²	66	31%	0.313	36%	0.358	S	S	.	.			trans	-109	140	-175.3	-58.9	172.7	0	0	0	108.8	R96 S181	R96-I183 HydrophobicContact CB-CD1 4.26Å; S181-I183 PolarHBondContact O-N 2.94Å
184	P	72.2	Confident	69.7	Low	68 Å²	68	73.8 Å²	73.8	44%	0.442	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-62.5	138	172.8	24.2	-32	0	0	0	110.8	S186 W247	P184-S186 PolarHBondContact O-N 3.18Å; P184-W247 HydrophobicContact CB-CD2 4.22Å; P184-W247 HydrophobicContact CB-CH2 4.42Å; P184-W247 HydrophobicContact CB-CZ2 4.11Å
185	K	65.3	Low	67.1	Low	102 Å²	102	77.1 Å²	77.1	44%	0.443	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-61.8	128.9	173.6	-69.3	178	179.7	176.6	0	109.1	S100	S100-K185 WeakPolarHBondContact O-CE 3.36Å
186	S	53.5	Low	64.4	Low	64 Å²	64	79.5 Å²	79.5	45%	0.448	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-61.9	140.7	178.9	78.9	0	0	0	0	110.6	P184 I188	P184-S186 PolarHBondContact O-N 3.18Å; S186-I188 PolarHBondContact O-N 2.78Å
187	P	49.1	Very low	62.1	Low	116 Å²	116	82.8 Å²	82.8	75%	0.753	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-59.2	-19	-179.8	-23.9	32	0	0	0	114.5	E189 G190	P187-E189 VanDerWaalsContact C-N 3.31Å; P187-E189 PolarHBondContact O-N 3.17Å; P187-G190 PolarHBondContact O-N 3.48Å; P187-G190 VanDerWaalsContact O-N 3.08Å
188	I	46.1	Very low	59.7	Low	135 Å²	135	83.2 Å²	83.2	69%	0.692	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-69.4	-28.2	-170	-56.9	174.9	0	0	0	111.7	S186 G190	S186-I188 PolarHBondContact O-N 2.78Å; I188-G190 PolarHBondContact O-N 2.8Å
189	E	45.1	Very low	57.8	Low	131 Å²	131	86.9 Å²	86.9	61%	0.612	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-73.1	-16.8	175	-66.5	-173	163.7	0	0	112.9	P187	P187-E189 VanDerWaalsContact C-N 3.31Å; P187-E189 PolarHBondContact O-N 3.17Å
190	G	41.4	Very low	56.5	Low	32 Å²	32	90.3 Å²	90.3	33%	0.33	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-83.3	-4.6	-177.4	0	0	0	0	0	115.7	P187 I188 N192	P187-G190 PolarHBondContact O-N 3.48Å; P187-G190 VanDerWaalsContact O-N 3.08Å; I188-G190 PolarHBondContact O-N 2.8Å; G190-N192 PolarHBondContact O-N 2.86Å
191	I	41.3	Very low	55.9	Low	136 Å²	136	85.1 Å²	85.1	70%	0.697	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-67.3	-23.7	-179.5	-62.7	176.7	0	0	0	111.5
192	N	41.4	Very low	55.7	Low	153 Å²	153	84 Å²	84	82%	0.818	49%	0.492	S	S	*	.	S	Bend	trans	-107	-3.9	-177.5	-65.7	-26.8	0	0	0	114.8	G190	G190-N192 PolarHBondContact O-N 2.86Å
193	S	43.4	Very low	55.6	Low	51 Å²	51	83.9 Å²	83.9	36%	0.357	49%	0.493	S	S	.	.	S	Bend	trans	-114.5	123.1	169.4	67	0	0	0	0	108.9	T195	S193-T195 PolarHBondContact O-N 2.94Å; S193-T195 PolarHBondContact OG-OG1 3.2Å
194	H	38.8	Very low	55.7	Low	202 Å²	202	85.8 Å²	85.8	94%	0.935	50%	0.496	S	S	*	.	S	Bend	trans	-66.2	24.5	173.7	-59.3	-72.7	0	0	0	113.6	G196	H194-G196 VanDerWaalsContact C-N 3.28Å; H194-G196 PolarHBondContact O-N 3.06Å
195	T	43.1	Very low	56.4	Low	77 Å²	77	83.1 Å²	83.1	47%	0.472	48%	0.479	S	S	.	.			trans	-96.1	44.8	169.5	56.4	0	0	0	0	110.1	S193	S193-T195 PolarHBondContact O-N 2.94Å; S193-T195 PolarHBondContact OG-OG1 3.2Å
196	G	40.4	Very low	57.5	Low	51 Å²	51	78.3 Å²	78.3	53%	0.526	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	143	177.1	0	0	0	0	0	111.8	H194 N198	H194-G196 VanDerWaalsContact C-N 3.28Å; H194-G196 PolarHBondContact O-N 3.06Å; G196-N198 VanDerWaalsContact C-N 3.28Å; G196-N198 PolarHBondContact O-N 3.07Å
197	A	47.4	Very low	59.3	Low	85 Å²	85	76.2 Å²	76.2	70%	0.702	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	-43.3	179.8	0	0	0	0	0	117.5	D199 A200	A197-D199 PolarHBondContact O-N 3.32Å; A197-A200 VanDerWaalsContact O-CB 3.3Å; A197-A200 WeakPolarHBondContact O-CB 3.4Å; A197-A200 PolarHBondContact O-N 3.39Å
198	N	45.2	Very low	61.2	Low	98 Å²	98	74.1 Å²	74.1	52%	0.524	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-72.3	-28	-169.6	-80.4	-36.3	0	0	0	115.4	G196 A200 R204	G196-N198 VanDerWaalsContact C-N 3.28Å; G196-N198 PolarHBondContact O-N 3.07Å; N198-A200 VanDerWaalsContact C-N 3.27Å; N198-R204 WeakPolarHBondContact O-CD 3.23Å; N198-R204 PolarHBondContact OD1-NH1 3.13Å
199	D	55.6	Low	63.4	Low	79 Å²	79	68.8 Å²	68.8	42%	0.422	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-80.6	-8.2	176.3	-72.8	-25.2	0	0	0	112.8	A197 L201 S205	A197-D199 PolarHBondContact O-N 3.32Å; D199-L201 PolarHBondContact O-N 3.27Å; D199-S205 PolarHBondContact O-OG 3.07Å
200	A	65.8	Low	65.7	Low	71 Å²	71	62.6 Å²	62.6	59%	0.587	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-74.8	-12.4	179.9	0	0	0	0	0	113.3	A197 N198 W247	A197-A200 VanDerWaalsContact O-CB 3.3Å; A197-A200 WeakPolarHBondContact O-CB 3.4Å; A197-A200 PolarHBondContact O-N 3.39Å; N198-A200 VanDerWaalsContact C-N 3.27Å; A200-W247 VanDerWaalsContact O-CZ3 3.24Å; A200-W247 WeakPolarHBondContact O-CZ3 3.39Å
201	L	79.3	Confident	68.1	Low	34 Å²	34	63.9 Å²	63.9	18%	0.178	38%	0.375	C	S	.	.	S	Bend	trans	-82.9	137.1	-179.1	-65.4	174.8	0	0	0	112.3	D199 C203 R204 S205	D199-L201 PolarHBondContact O-N 3.27Å; L201-C203 PolarHBondContact O-N 2.89Å; L201-R204 HydrophobicContact CB-CG 4.44Å; L201-R204 PolarHBondContact O-N 3.17Å; L201-S205 PolarHBondContact O-N 3.3Å; L201-S205 VanDerWaalsContact O-N 3.14Å
202	F	85.7	Confident	70.5	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.018	35%	0.345	C	S	.	.	H	α-helix	trans	-56	-52.2	-176	177.2	-91	0	0	0	112.5	I179 F182 R204 S205 F206 L238 W247 C250 R251 F254	I179-F202 HydrophobicContact CG2-CE2 4.43Å; I179-F202 HydrophobicContact CG2-CZ 4.1Å; F182-F202 HydrophobicContact CD1-CD2 4.26Å; F182-F202 AromaticContact CD1-CE2 3.91Å; F182-F202 HydrophobicContact CD1-CE2 3.91Å; F182-F202 HydrophobicContact CE1-CE2 4.47Å; F202-R204 VanDerWaalsContact C-N 3.3Å; F202-R204 PolarHBondContact O-N 2.86Å; F202-S205 PolarHBondContact O-N 2.96Å; F202-F206 HydrophobicContact CD1-CB 4.39Å; F202-F206 HydrophobicContact CE1-CB 4.08Å; F202-F206 HydrophobicContact CE1-CD1 4.21Å; F202-F206 HydrophobicContact CE1-CG 4.14Å; F202-F206 HydrophobicContact CE2-CB 4.3Å; F202-F206 HydrophobicContact CE2-CD2 4.44Å; F202-F206 HydrophobicContact CE2-CG 4.37Å; F202-F206 HydrophobicContact CZ-CB 4.02Å; F202-F206 HydrophobicContact CZ-CD1 4.15Å; F202-F206 HydrophobicContact CZ-CD2 4.14Å; F202-F206 AromaticContact CZ-CG 3.83Å; F202-F206 HydrophobicContact CZ-CG 3.83Å; F202-F206 WeakPolarHBondContact O-CB 3.43Å; F202-F206 PolarHBondContact O-N 2.69Å; F202-L238 HydrophobicContact CD1-CD2 4.48Å; F202-L238 HydrophobicContact CE1-CD2 4.07Å; F202-W247 HydrophobicContact CB-CD2 3.88Å; F202-W247 HydrophobicContact CB-CE3 3.53Å; F202-W247 HydrophobicContact CB-CH2 4.07Å; F202-W247 HydrophobicContact CB-CZ2 4.36Å; F202-W247 HydrophobicContact CB-CZ3 3.7Å; F202-W247 HydrophobicContact CD2-CD2 4.09Å; F202-W247 AromaticContact CD2-CE2 3.64Å; F202-W247 HydrophobicContact CD2-CE3 4.41Å; F202-W247 AromaticContact CD2-CH2 3.95Å; F202-W247 HydrophobicContact CD2-CH2 3.95Å; F202-W247 AromaticContact CD2-CZ2 3.54Å; F202-W247 HydrophobicContact CD2-CZ2 3.54Å; F202-W247 HydrophobicContact CD2-CZ3 4.4Å; F202-W247 HydrophobicContact CE2-CZ2 4.34Å; F202-W247 HydrophobicContact CG-CD2 4.5Å; F202-W247 HydrophobicContact CG-CE3 4.49Å; F202-W247 HydrophobicContact CG-CH2 4.42Å; F202-W247 HydrophobicContact CG-CZ2 4.39Å; F202-C250 HydrophobicContact CB-CB 4.13Å; F202-C250 VanDerWaalsContact CD1-SG 3.53Å; F202-C250 HydrophobicContact CG-CB 4.49Å; F202-R251 HydrophobicContact CD2-CB 4.28Å; F202-R251 HydrophobicContact CE2-CB 4.09Å; F202-R251 HydrophobicContact CE2-CG 4.12Å; F202-F254 HydrophobicContact CE1-CB 4.19Å; F202-F254 AromaticContact CE1-CD1 4Å; F202-F254 HydrophobicContact CE1-CD1 4Å; F202-F254 HydrophobicContact CE1-CG 4.18Å; F202-F254 HydrophobicContact CZ-CD1 4.16Å
203	C	86.2	Confident	72.9	Confident	11 Å²	11	50.5 Å²	50.5	7%	0.074	31%	0.306	C	S	.	.	H	α-helix	trans	-59.2	-40.9	-175.6	-65	0	0	0	0	112.6	L201 G207 L238 L241 D242	L201-C203 PolarHBondContact O-N 2.89Å; C203-G207 PolarHBondContact O-N 3.04Å; C203-L238 PolarHBondContact SG-O 3.16Å; C203-L241 VanDerWaalsContact SG-C 3.6Å; C203-D242 HydrophobicContact CB-CB 4.5Å
204	R	83.2	Confident	75.4	Confident	102 Å²	102	48.1 Å²	48.1	39%	0.385	29%	0.289	S	S	.	.	H	α-helix	trans	-72.8	-37.6	-178	-64.6	-177.1	-177.5	173.9	1.2	112.5	N198 L201 F202 P208 D242	N198-R204 WeakPolarHBondContact O-CD 3.23Å; N198-R204 PolarHBondContact OD1-NH1 3.13Å; L201-R204 HydrophobicContact CB-CG 4.44Å; L201-R204 PolarHBondContact O-N 3.17Å; F202-R204 VanDerWaalsContact C-N 3.3Å; F202-R204 PolarHBondContact O-N 2.86Å; R204-P208 WeakPolarHBondContact O-CD 3.35Å; R204-D242 IonicContact NE-OD1 3.5Å; R204-D242 PolarHBondContact NE-OD1 2.88Å; R204-D242 IonicContact NE-OD2 3.91Å; R204-D242 IonicContact NH2-OD2 3.66Å
205	S	86.2	Confident	77.9	Confident	12 Å²	12	41.4 Å²	41.4	8%	0.084	26%	0.26	C	S	.	.	H	α-helix	trans	-76.1	-40.3	176.4	-87.5	0	0	0	0	112.6	D199 L201 F202 V209	D199-S205 PolarHBondContact O-OG 3.07Å; L201-S205 PolarHBondContact O-N 3.3Å; L201-S205 VanDerWaalsContact O-N 3.14Å; F202-S205 PolarHBondContact O-N 2.96Å; S205-V209 WeakPolarHBondContact O-CG2 3.41Å
206	F	90.2	Very high	80.3	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-80.6	-35.7	-174.4	-174.9	-101.1	0	0	0	113.6	L178 I179 F182 F202 V209 L210 L238 F254	L178-F206 HydrophobicContact CD2-CE2 4Å; L178-F206 HydrophobicContact CD2-CZ 4.03Å; L178-F206 HydrophobicContact CG-CE2 3.97Å; L178-F206 HydrophobicContact CG-CZ 4.35Å; I179-F206 HydrophobicContact CD1-CZ 4.23Å; I179-F206 HydrophobicContact CG1-CE1 4.1Å; I179-F206 HydrophobicContact CG1-CE2 3.71Å; I179-F206 HydrophobicContact CG1-CZ 3.38Å; F182-F206 HydrophobicContact CD1-CB 4.34Å; F182-F206 AromaticContact CD1-CD2 3.8Å; F182-F206 HydrophobicContact CD1-CD2 3.8Å; F182-F206 HydrophobicContact CD2-CD2 4.34Å; F182-F206 HydrophobicContact CE1-CB 3.84Å; F182-F206 HydrophobicContact CE1-CD2 4.01Å; F182-F206 HydrophobicContact CE1-CG 4.44Å; F182-F206 AromaticContact CG-CD2 3.97Å; F182-F206 HydrophobicContact CG-CD2 3.97Å; F182-F206 HydrophobicContact CZ-CB 4.33Å; F182-F206 HydrophobicContact CZ-CD2 4.4Å; F202-F206 HydrophobicContact CD1-CB 4.39Å; F202-F206 HydrophobicContact CE1-CB 4.08Å; F202-F206 HydrophobicContact CE1-CD1 4.21Å; F202-F206 HydrophobicContact CE1-CG 4.14Å; F202-F206 HydrophobicContact CE2-CB 4.3Å; F202-F206 HydrophobicContact CE2-CD2 4.44Å; F202-F206 HydrophobicContact CE2-CG 4.37Å; F202-F206 HydrophobicContact CZ-CB 4.02Å; F202-F206 HydrophobicContact CZ-CD1 4.15Å; F202-F206 HydrophobicContact CZ-CD2 4.14Å; F202-F206 AromaticContact CZ-CG 3.83Å; F202-F206 HydrophobicContact CZ-CG 3.83Å; F202-F206 WeakPolarHBondContact O-CB 3.43Å; F202-F206 PolarHBondContact O-N 2.69Å; F206-V209 WeakPolarHBondContact O-CB 3.41Å; F206-V209 PolarHBondContact O-N 3.13Å; F206-V209 VanDerWaalsContact O-N 3.09Å; F206-L210 HydrophobicContact CD1-CB 4.3Å; F206-L210 HydrophobicContact CE1-CB 3.84Å; F206-L210 HydrophobicContact CE1-CD1 4.46Å; F206-L210 HydrophobicContact CE1-CD2 4.01Å; F206-L210 HydrophobicContact CE1-CG 4.31Å; F206-L210 HydrophobicContact CZ-CB 4.21Å; F206-L210 HydrophobicContact CZ-CD1 4.43Å; F206-L210 PolarHBondContact O-N 3.1Å; F206-L238 HydrophobicContact CD1-CD1 4.17Å; F206-L238 HydrophobicContact CD1-CD2 4.01Å; F206-F254 HydrophobicContact CD1-CE1 4.07Å; F206-F254 HydrophobicContact CE1-CD1 4.33Å; F206-F254 AromaticContact CE1-CE1 3.47Å; F206-F254 HydrophobicContact CE1-CE1 3.47Å; F206-F254 VanDerWaalsContact CE1-CE1 3.47Å; F206-F254 HydrophobicContact CE1-CZ 4.06Å; F206-F254 HydrophobicContact CZ-CE1 4.2Å
207	G	90.5	Very high	82.8	Confident	21 Å²	21	35.3 Å²	35.3	22%	0.216	21%	0.213	C	C	.	.	H	α-helix	trans	-52.8	-51.5	-177.7	0	0	0	0	0	114.4	C203 V209 L210 Q211	C203-G207 PolarHBondContact O-N 3.04Å; G207-V209 VanDerWaalsContact C-N 3.32Å; G207-V209 PolarHBondContact O-N 2.52Å; G207-L210 PolarHBondContact O-N 3.23Å; G207-Q211 PolarHBondContact O-N 3.14Å
208	P	89.4	Confident	84.9	Confident	72 Å²	72	34.3 Å²	34.3	47%	0.468	19%	0.194	S	C	.	.	H	α-helix	trans	-61.7	-37.8	175.5	-24.6	35.1	0	0	0	113.2	I104 R204 Q211 A212	I104-P208 HydrophobicContact CD1-CB 4.5Å; R204-P208 WeakPolarHBondContact O-CD 3.35Å; P208-Q211 PolarHBondContact O-N 3.23Å; P208-A212 PolarHBondContact O-N 2.75Å
209	V	90.7	Very high	87	Confident	22 Å²	22	30.5 Å²	30.5	13%	0.133	17%	0.173	C	C	.	.	H	α-helix	trans	-63.4	-50.1	177.5	177	0	0	0	0	109.8	L178 F182 S205 F206 G207 Q211 A212 H213	L178-V209 HydrophobicContact CD1-CG1 4.36Å; L178-V209 HydrophobicContact CD2-CG1 4.5Å; F182-V209 HydrophobicContact CE2-CB 4.49Å; F182-V209 HydrophobicContact CE2-CG1 4.46Å; F182-V209 HydrophobicContact CE2-CG2 3.97Å; F182-V209 HydrophobicContact CZ-CG2 4.33Å; S205-V209 WeakPolarHBondContact O-CG2 3.41Å; F206-V209 WeakPolarHBondContact O-CB 3.41Å; F206-V209 PolarHBondContact O-N 3.13Å; F206-V209 VanDerWaalsContact O-N 3.09Å; G207-V209 VanDerWaalsContact C-N 3.32Å; G207-V209 PolarHBondContact O-N 2.52Å; V209-Q211 VanDerWaalsContact C-N 3.31Å; V209-Q211 PolarHBondContact O-N 3.35Å; V209-A212 WeakPolarHBondContact O-CB 3.49Å; V209-A212 PolarHBondContact O-N 2.86Å; V209-A212 VanDerWaalsContact O-N 3.15Å; V209-H213 PolarHBondContact O-N 2.79Å; V209-H213 PolarHBondContact O-ND1 2.96Å
210	L	93.5	Very high	88.6	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-58.9	-42.1	177.1	-178.6	64.2	0	0	0	111.9	L178 F206 G207 A212 H213 V214 Y231 L234 L238	L178-L210 HydrophobicContact CD2-CD1 4.45Å; F206-L210 HydrophobicContact CD1-CB 4.3Å; F206-L210 HydrophobicContact CE1-CB 3.84Å; F206-L210 HydrophobicContact CE1-CD1 4.46Å; F206-L210 HydrophobicContact CE1-CD2 4.01Å; F206-L210 HydrophobicContact CE1-CG 4.31Å; F206-L210 HydrophobicContact CZ-CB 4.21Å; F206-L210 HydrophobicContact CZ-CD1 4.43Å; F206-L210 PolarHBondContact O-N 3.1Å; G207-L210 PolarHBondContact O-N 3.23Å; L210-A212 VanDerWaalsContact C-N 3.33Å; L210-A212 PolarHBondContact O-N 2.68Å; L210-H213 PolarHBondContact O-N 3.46Å; L210-V214 HydrophobicContact CD1-CG2 4.48Å; L210-V214 WeakPolarHBondContact O-CG2 3.45Å; L210-V214 PolarHBondContact O-N 3.38Å; L210-Y231 HydrophobicContact CD2-CD2 4.09Å; L210-Y231 HydrophobicContact CD2-CE2 3.74Å; L210-Y231 HydrophobicContact CG-CD2 4.38Å; L210-Y231 HydrophobicContact CG-CE2 3.85Å; L210-L234 HydrophobicContact CD2-CB 4.39Å; L210-L238 HydrophobicContact CD2-CD1 4.37Å
211	Q	93.1	Very high	89.8	Confident	59 Å²	59	23.7 Å²	23.7	28%	0.276	13%	0.126	S	C	.	.	H	α-helix	trans	-60.9	-40.5	176.9	-177.8	68.1	77.8	0	0	112.1	G207 P208 V209 H213 V214 N215 Y231	G207-Q211 PolarHBondContact O-N 3.14Å; P208-Q211 PolarHBondContact O-N 3.23Å; V209-Q211 VanDerWaalsContact C-N 3.31Å; V209-Q211 PolarHBondContact O-N 3.35Å; Q211-H213 VanDerWaalsContact C-N 3.33Å; Q211-H213 PolarHBondContact O-N 2.81Å; Q211-V214 PolarHBondContact O-N 3.46Å; Q211-N215 PolarHBondContact NE2-OD1 3.38Å; Q211-N215 WeakPolarHBondContact O-CB 3.43Å; Q211-N215 PolarHBondContact O-N 3.32Å; Q211-N215 PolarHBondContact O-ND2 2.9Å; Q211-N215 PolarHBondContact O-OD1 3.25Å; Q211-Y231 PolarHBondContact OE1-OH 3.34Å
212	A	90.5	Very high	90.4	Very high	7 Å²	7	23.8 Å²	23.8	6%	0.058	13%	0.129	C	C	.	.	H	α-helix	trans	-61.8	-40.8	176.5	0	0	0	0	0	112.2	I104 P208 V209 L210 N215 F216	I104-A212 HydrophobicContact CD1-CB 4.41Å; I104-A212 HydrophobicContact CG2-CB 3.61Å; P208-A212 PolarHBondContact O-N 2.75Å; V209-A212 WeakPolarHBondContact O-CB 3.49Å; V209-A212 PolarHBondContact O-N 2.86Å; V209-A212 VanDerWaalsContact O-N 3.15Å; L210-A212 VanDerWaalsContact C-N 3.33Å; L210-A212 PolarHBondContact O-N 2.68Å; A212-N215 PolarHBondContact O-N 3.13Å; A212-F216 PolarHBondContact O-N 3.25Å
213	H	93.6	Very high	90.7	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-68	-39	177.5	-71	78.7	0	0	0	112.5	H146 F149 V209 L210 Q211 F216 L217	H146-H213 WeakPolarHBondContact CB-NE2 3.41Å; H146-H213 PolarHBondContact N-NE2 3.12Å; F149-H213 HydrophobicContact CD1-CB 3.68Å; F149-H213 HydrophobicContact CD2-CB 4.25Å; F149-H213 AromaticContact CD2-CD2 3.45Å; F149-H213 VanDerWaalsContact CD2-CD2 3.45Å; F149-H213 WeakPolarHBondContact CD2-CD2 3.26Å; F149-H213 HydrophobicContact CE1-CB 3.67Å; F149-H213 HydrophobicContact CE2-CB 4.23Å; F149-H213 HydrophobicContact CG-CB 3.98Å; F149-H213 AromaticContact CG-CD2 3.47Å; F149-H213 VanDerWaalsContact CG-CD2 3.47Å; F149-H213 WeakPolarHBondContact CG-CD2 3.18Å; F149-H213 HydrophobicContact CZ-CB 3.95Å; V209-H213 PolarHBondContact O-N 2.79Å; V209-H213 PolarHBondContact O-ND1 2.96Å; L210-H213 PolarHBondContact O-N 3.46Å; Q211-H213 VanDerWaalsContact C-N 3.33Å; Q211-H213 PolarHBondContact O-N 2.81Å; H213-F216 WeakPolarHBondContact O-CB 3.44Å; H213-F216 PolarHBondContact O-N 3.07Å; H213-L217 WeakPolarHBondContact O-CG 3.38Å; H213-L217 PolarHBondContact O-N 3.47Å
214	V	94.7	Very high	91	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	13%	0.128	C	C	.	.	H	α-helix	trans	-65.9	-40.8	174.3	172.7	0	0	0	0	111.3	F171 L210 Q211 F216 L217 Q218 L223 Y231	F171-V214 HydrophobicContact CE2-CG2 4.03Å; F171-V214 HydrophobicContact CZ-CG2 4.22Å; L210-V214 HydrophobicContact CD1-CG2 4.48Å; L210-V214 WeakPolarHBondContact O-CG2 3.45Å; L210-V214 PolarHBondContact O-N 3.38Å; Q211-V214 PolarHBondContact O-N 3.46Å; V214-F216 VanDerWaalsContact C-N 3.32Å; V214-F216 PolarHBondContact O-N 2.71Å; V214-L217 PolarHBondContact O-N 2.65Å; V214-Q218 PolarHBondContact O-N 2.91Å; V214-L223 HydrophobicContact CG1-CD1 3.69Å; V214-Y231 HydrophobicContact CG1-CD1 4.14Å; V214-Y231 HydrophobicContact CG1-CE1 4.07Å; V214-Y231 HydrophobicContact CG1-CG 4.47Å; V214-Y231 HydrophobicContact CG2-CD2 3.76Å; V214-Y231 HydrophobicContact CG2-CE1 4.48Å; V214-Y231 HydrophobicContact CG2-CE2 3.75Å; V214-Y231 HydrophobicContact CG2-CG 4.17Å
215	N	92	Very high	91.4	Very high	61 Å²	61	18.8 Å²	18.8	33%	0.326	11%	0.11	S	C	.	.	H	α-helix	trans	-62.7	-40.3	175.2	-67.4	-6.9	0	0	0	111.4	Q211 A212 Q218 L219	Q211-N215 PolarHBondContact NE2-OD1 3.38Å; Q211-N215 WeakPolarHBondContact O-CB 3.43Å; Q211-N215 PolarHBondContact O-N 3.32Å; Q211-N215 PolarHBondContact O-ND2 2.9Å; Q211-N215 PolarHBondContact O-OD1 3.25Å; A212-N215 PolarHBondContact O-N 3.13Å; N215-Q218 WeakPolarHBondContact O-CB 3.38Å; N215-Q218 PolarHBondContact O-N 3.26Å; N215-L219 WeakPolarHBondContact O-CG 3.26Å; N215-L219 PolarHBondContact O-N 3.24Å; N215-L219 VanDerWaalsContact O-N 3.15Å
216	F	92.2	Very high	91.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-58.8	-47.1	172.8	168.2	-100.7	0	0	0	111.8	L107 L137 L139 I145 F149 L150 A212 H213 V214 Q218 L219 C220	L107-F216 HydrophobicContact CD2-CB 3.82Å; L107-F216 HydrophobicContact CD2-CD2 3.95Å; L107-F216 HydrophobicContact CD2-CG 4.4Å; L137-F216 HydrophobicContact CD1-CD2 3.7Å; L137-F216 HydrophobicContact CD1-CE2 3.68Å; L139-F216 HydrophobicContact CD1-CD2 4.19Å; L139-F216 HydrophobicContact CD1-CE2 3.72Å; I145-F216 HydrophobicContact CD1-CB 3.95Å; I145-F216 HydrophobicContact CD1-CG 4.38Å; I145-F216 HydrophobicContact CG1-CB 4.28Å; I145-F216 HydrophobicContact CG1-CD2 4.32Å; I145-F216 HydrophobicContact CG1-CG 4.19Å; I145-F216 HydrophobicContact CG2-CD1 3.88Å; I145-F216 HydrophobicContact CG2-CE1 4.22Å; I145-F216 HydrophobicContact CG2-CG 4.14Å; F149-F216 VanDerWaalsContact O-CE1 3.3Å; F149-F216 WeakPolarHBondContact O-CE1 3.47Å; L150-F216 HydrophobicContact CD2-CE1 4.38Å; L150-F216 HydrophobicContact CD2-CE2 4.29Å; L150-F216 HydrophobicContact CD2-CZ 3.9Å; A212-F216 PolarHBondContact O-N 3.25Å; H213-F216 WeakPolarHBondContact O-CB 3.44Å; H213-F216 PolarHBondContact O-N 3.07Å; V214-F216 VanDerWaalsContact C-N 3.32Å; V214-F216 PolarHBondContact O-N 2.71Å; F216-Q218 VanDerWaalsContact C-N 3.33Å; F216-Q218 PolarHBondContact O-N 3.01Å; F216-L219 WeakPolarHBondContact O-CB 3.38Å; F216-L219 PolarHBondContact O-N 3.17Å; F216-L219 VanDerWaalsContact O-N 3.11Å; F216-C220 VanDerWaalsContact CZ-SG 3.59Å; F216-C220 PolarHBondContact O-N 2.82Å; F216-C220 VanDerWaalsContact O-N 3.14Å
217	L	93.6	Very high	92.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.3	-39.1	177.3	-68	-180	0	0	0	112.5	F149 L152 F156 F171 H213 V214 L219 C220 R221 L223	F149-L217 HydrophobicContact CD1-CD1 3.76Å; F149-L217 HydrophobicContact CD1-CD2 4.24Å; F149-L217 HydrophobicContact CD1-CG 3.91Å; F149-L217 HydrophobicContact CE1-CD1 3.68Å; F149-L217 HydrophobicContact CE1-CG 4.29Å; L152-L217 HydrophobicContact CB-CD2 4.22Å; L152-L217 HydrophobicContact CD2-CD1 3.79Å; L152-L217 HydrophobicContact CD2-CD2 4.02Å; L152-L217 HydrophobicContact CG-CD2 3.93Å; F156-L217 HydrophobicContact CD2-CD2 4.21Å; F156-L217 HydrophobicContact CE2-CD1 4.35Å; F156-L217 HydrophobicContact CE2-CD2 4.42Å; F171-L217 HydrophobicContact CD2-CD1 3.79Å; F171-L217 HydrophobicContact CE2-CD1 4.21Å; H213-L217 WeakPolarHBondContact O-CG 3.38Å; H213-L217 PolarHBondContact O-N 3.47Å; V214-L217 PolarHBondContact O-N 2.65Å; L217-L219 PolarHBondContact O-N 2.85Å; L217-C220 WeakPolarHBondContact O-CB 3.45Å; L217-C220 PolarHBondContact O-N 3.38Å; L217-C220 VanDerWaalsContact O-N 3.1Å; L217-R221 PolarHBondContact O-N 2.75Å; L217-L223 HydrophobicContact CB-CD2 3.68Å
218	Q	91.8	Very high	92.4	Very high	65 Å²	65	20.6 Å²	20.6	30%	0.304	11%	0.109	S	C	.	.	H	α-helix	trans	-58.7	-34.4	174.4	-78.2	175.5	-32.8	0	0	112.7	V214 N215 F216 R221 L223 Y228	V214-Q218 PolarHBondContact O-N 2.91Å; N215-Q218 WeakPolarHBondContact O-CB 3.38Å; N215-Q218 PolarHBondContact O-N 3.26Å; F216-Q218 VanDerWaalsContact C-N 3.33Å; F216-Q218 PolarHBondContact O-N 3.01Å; Q218-R221 WeakPolarHBondContact CA-O 3.4Å; Q218-R221 CarbonylContact O-C 3.46Å; Q218-L223 HydrophobicContact CG-CD1 3.51Å; Q218-L223 HydrophobicContact CG-CD2 4.31Å; Q218-L223 HydrophobicContact CG-CG 3.54Å; Q218-Y228 PolarHBondContact NE2-OH 2.84Å
219	L	89.4	Confident	92.6	Very high	18 Å²	18	18.3 Å²	18.3	9%	0.094	9%	0.093	C	C	.	.	H	α-helix	trans	-70.8	-39.4	174.4	-66.5	170.5	0	0	0	111.8	L107 P108 R111 L137 N215 F216 L217	L107-L219 HydrophobicContact CB-CD1 3.95Å; L107-L219 HydrophobicContact CD2-CD1 3.71Å; L107-L219 HydrophobicContact CG-CD1 4.48Å; P108-L219 HydrophobicContact CG-CD1 4.1Å; P108-L219 WeakPolarHBondContact O-CD1 3.46Å; P108-L219 VanDerWaalsContact O-CD2 3.31Å; P108-L219 WeakPolarHBondContact O-CD2 3.47Å; R111-L219 WeakPolarHBondContact CD-O 3.49Å; L137-L219 HydrophobicContact CD2-CD1 4.43Å; N215-L219 WeakPolarHBondContact O-CG 3.26Å; N215-L219 PolarHBondContact O-N 3.24Å; N215-L219 VanDerWaalsContact O-N 3.15Å; F216-L219 WeakPolarHBondContact O-CB 3.38Å; F216-L219 PolarHBondContact O-N 3.17Å; F216-L219 VanDerWaalsContact O-N 3.11Å; L217-L219 PolarHBondContact O-N 2.85Å
220	C	90.1	Very high	92.8	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.007	9%	0.087	C	C	.	.	H	α-helix	trans	-62.3	-46.1	175.9	-65.7	0	0	0	0	111.2	R111 G153 D157 F216 L217	R111-C220 PolarHBondContact NH1-O 3.01Å; R111-C220 VanDerWaalsContact NH1-O 3.17Å; G153-C220 VanDerWaalsContact CA-SG 3.53Å; G153-C220 WeakPolarHBondContact O-CB 3.46Å; D157-C220 HydrophobicContact CB-CB 4.29Å; D157-C220 VanDerWaalsContact OD1-O 3.14Å; F216-C220 VanDerWaalsContact CZ-SG 3.59Å; F216-C220 PolarHBondContact O-N 2.82Å; F216-C220 VanDerWaalsContact O-N 3.14Å; L217-C220 WeakPolarHBondContact O-CB 3.45Å; L217-C220 PolarHBondContact O-N 3.38Å; L217-C220 VanDerWaalsContact O-N 3.1Å
221	R	90.8	Very high	93	Very high	5 Å²	5	17.7 Å²	17.7	2%	0.019	9%	0.088	C	C	.	.	S	Bend	trans	-162.7	145.1	179.6	-173.1	174.9	-178.9	158.6	24.9	110.4	F156 D159 K167 L217 Q218 L223 E447 E503	F156-R221 HydrophobicContact CB-CB 4.3Å; F156-R221 VanDerWaalsContact O-CD 3.26Å; F156-R221 WeakPolarHBondContact O-CD 3.39Å; F156-R221 PolarHBondContact O-NH1 3.21Å; D159-R221 IonicContact OD1-CZ 3.33Å; D159-R221 IonicContact OD1-NE 3.74Å; D159-R221 IonicContact OD1-NH1 2.71Å; D159-R221 PolarHBondContact OD1-NH1 3.07Å; D159-R221 IonicContact OD1-NH2 3.63Å; D159-R221 PolarHBondContact OD1-NH2 2.88Å; D159-R221 IonicContact OD2-CZ 2.64Å; D159-R221 IonicContact OD2-NH1 2.83Å; D159-R221 PolarHBondContact OD2-NH1 2.84Å; D159-R221 IonicContact OD2-NH2 2.75Å; D159-R221 PolarHBondContact OD2-NH2 3.37Å; K167-R221 VanDerWaalsContact NZ-NH1 3.2Å; L217-R221 PolarHBondContact O-N 2.75Å; Q218-R221 WeakPolarHBondContact CA-O 3.4Å; Q218-R221 CarbonylContact O-C 3.46Å; R221-L223 PolarHBondContact O-N 3.36Å; R221-E447 IonicContact CZ-OE1 2.61Å; R221-E447 IonicContact CZ-OE2 3.1Å; R221-E447 IonicContact NE-OE1 2.74Å; R221-E447 PolarHBondContact NE-OE1 3.29Å; R221-E447 IonicContact NE-OE2 2.71Å; R221-E447 PolarHBondContact NE-OE2 3.11Å; R221-E447 IonicContact NH2-OE1 3.77Å; R221-E447 PolarHBondContact NH2-OE1 2.96Å; R221-E447 IonicContact NH2-OE2 2.93Å; R221-E503 IonicContact NH2-OE2 2.64Å
222	P	90.3	Very high	93	Very high	37 Å²	37	19.2 Å²	19.2	24%	0.24	10%	0.096	C	C	.	.	P	Polyproline II helix	trans	-50.4	128	169.5	-27.7	35.7	0	0	0	111.6
223	L	92.4	Very high	93.2	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.021	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-67.7	141.5	-176.4	-58.6	176.8	0	0	0	111	V214 L217 Q218 R221 I227 Y228	V214-L223 HydrophobicContact CG1-CD1 3.69Å; L217-L223 HydrophobicContact CB-CD2 3.68Å; Q218-L223 HydrophobicContact CG-CD1 3.51Å; Q218-L223 HydrophobicContact CG-CD2 4.31Å; Q218-L223 HydrophobicContact CG-CG 3.54Å; R221-L223 PolarHBondContact O-N 3.36Å; L223-I227 HydrophobicContact CB-CB 4.38Å; L223-I227 HydrophobicContact CB-CG2 4.38Å; L223-I227 HydrophobicContact CD1-CG2 4.13Å; L223-I227 HydrophobicContact CD2-CD1 4.46Å; L223-I227 HydrophobicContact CD2-CG2 4.17Å; L223-I227 HydrophobicContact CG-CG2 4.46Å; L223-Y228 HydrophobicContact CB-CD2 3.89Å; L223-Y228 HydrophobicContact CB-CE2 3.54Å; L223-Y228 HydrophobicContact CD1-CE1 4.17Å; L223-Y228 VanDerWaalsContact O-CE2 3.26Å; L223-Y228 WeakPolarHBondContact O-CE2 3.23Å
224	S	92.5	Very high	93.3	Very high	7 Å²	7	21.4 Å²	21.4	5%	0.049	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-66.8	154.5	170.7	59.5	0	0	0	0	111.1	T226 I227 Y228 H396	S224-T226 PolarHBondContact O-N 2.75Å; S224-T226 PolarHBondContact OG-OG1 3.1Å; S224-I227 PolarHBondContact O-N 3.21Å; S224-I227 WeakPolarHBondContact OG-CG1 3.21Å; S224-Y228 WeakPolarHBondContact O-CD2 3.27Å; S224-Y228 PolarHBondContact O-N 3.42Å; S224-H396 VanDerWaalsContact CB-NE2 3.35Å; S224-H396 WeakPolarHBondContact CB-NE2 3.42Å
225	V	92.9	Very high	93.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-53.2	-37.8	175	174.3	0	0	0	0	111.6	I227 Y228 N229 A397 W435	V225-I227 PolarHBondContact O-N 2.8Å; V225-Y228 PolarHBondContact O-N 2.97Å; V225-N229 WeakPolarHBondContact O-CB 3.4Å; V225-N229 PolarHBondContact O-N 2.8Å; V225-A397 HydrophobicContact CB-CB 3.89Å; V225-A397 HydrophobicContact CG1-CB 4Å; V225-A397 HydrophobicContact CG2-CB 3.69Å; V225-W435 HydrophobicContact CG1-CB 3.74Å; V225-W435 HydrophobicContact CG1-CD2 4.16Å; V225-W435 HydrophobicContact CG1-CG 3.69Å; V225-W435 HydrophobicContact CG2-CD2 3.65Å; V225-W435 HydrophobicContact CG2-CE3 3.57Å; V225-W435 HydrophobicContact CG2-CG 4.1Å; V225-W435 HydrophobicContact CG2-CH2 4.44Å; V225-W435 HydrophobicContact CG2-CZ2 4.46Å; V225-W435 HydrophobicContact CG2-CZ3 4.01Å
226	T	95.4	Very high	93.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.2	-43.1	176.5	49.7	0	0	0	0	112.9	S164 S224 A230 Y432 K433	S164-T226 PolarHBondContact O-OG1 3.1Å; S224-T226 PolarHBondContact O-N 2.75Å; S224-T226 PolarHBondContact OG-OG1 3.1Å; T226-A230 WeakPolarHBondContact O-CB 3.43Å; T226-A230 PolarHBondContact O-N 2.85Å; T226-Y432 HydrophobicContact CG2-CD2 4.23Å; T226-Y432 HydrophobicContact CG2-CE2 3.48Å; T226-Y432 VanDerWaalsContact CG2-CE2 3.48Å; T226-K433 HydrophobicContact CG2-CG 3.71Å
227	I	96.5	Very high	93.3	Very high	1 Å²	1	26 Å²	26	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-70.8	-41.2	177.9	-64.3	171.9	0	0	0	110.2	F156 K167 F171 L223 S224 V225 N229 A230 Y231	F156-I227 HydrophobicContact CE2-CD1 3.58Å; F156-I227 HydrophobicContact CZ-CD1 3.66Å; K167-I227 HydrophobicContact CB-CD1 4.26Å; F171-I227 HydrophobicContact CB-CD1 4.25Å; F171-I227 HydrophobicContact CB-CG1 4.1Å; F171-I227 HydrophobicContact CB-CG2 4.48Å; F171-I227 HydrophobicContact CD1-CG2 3.91Å; F171-I227 HydrophobicContact CD2-CG2 3.98Å; F171-I227 HydrophobicContact CE1-CG2 4.08Å; F171-I227 HydrophobicContact CE2-CG2 4.15Å; F171-I227 HydrophobicContact CG-CG1 4.33Å; F171-I227 HydrophobicContact CG-CG2 3.84Å; F171-I227 HydrophobicContact CZ-CG2 4.2Å; L223-I227 HydrophobicContact CB-CB 4.38Å; L223-I227 HydrophobicContact CB-CG2 4.38Å; L223-I227 HydrophobicContact CD1-CG2 4.13Å; L223-I227 HydrophobicContact CD2-CD1 4.46Å; L223-I227 HydrophobicContact CD2-CG2 4.17Å; L223-I227 HydrophobicContact CG-CG2 4.46Å; S224-I227 PolarHBondContact O-N 3.21Å; S224-I227 WeakPolarHBondContact OG-CG1 3.21Å; V225-I227 PolarHBondContact O-N 2.8Å; I227-N229 VanDerWaalsContact C-N 3.35Å; I227-N229 PolarHBondContact O-N 2.89Å; I227-A230 PolarHBondContact O-N 3.43Å; I227-Y231 WeakPolarHBondContact O-CB 3.42Å; I227-Y231 PolarHBondContact O-N 3.39Å
228	Y	94.4	Very high	93.2	Very high	70 Å²	70	26.7 Å²	26.7	28%	0.275	13%	0.125	S	C	.	.	H	α-helix	trans	-57.5	-48.1	174.1	-83.1	-68.1	0	0	0	111.8	Q218 L223 S224 V225 Y231 Q232	Q218-Y228 PolarHBondContact NE2-OH 2.84Å; L223-Y228 HydrophobicContact CB-CD2 3.89Å; L223-Y228 HydrophobicContact CB-CE2 3.54Å; L223-Y228 HydrophobicContact CD1-CE1 4.17Å; L223-Y228 VanDerWaalsContact O-CE2 3.26Å; L223-Y228 WeakPolarHBondContact O-CE2 3.23Å; S224-Y228 WeakPolarHBondContact O-CD2 3.27Å; S224-Y228 PolarHBondContact O-N 3.42Å; V225-Y228 PolarHBondContact O-N 2.97Å; Y228-Y231 PolarHBondContact O-N 2.96Å; Y228-Q232 WeakPolarHBondContact O-CG 3.46Å; Y228-Q232 PolarHBondContact O-N 2.96Å
229	N	93.9	Very high	93.1	Very high	25 Å²	25	28.9 Å²	28.9	13%	0.134	14%	0.143	C	C	.	.	H	α-helix	trans	-66.8	-40.2	-179.2	-73.8	-15.2	0	0	0	112.3	V225 I227 Q232 Y233 Y432 F434	V225-N229 WeakPolarHBondContact O-CB 3.4Å; V225-N229 PolarHBondContact O-N 2.8Å; I227-N229 VanDerWaalsContact C-N 3.35Å; I227-N229 PolarHBondContact O-N 2.89Å; N229-Q232 PolarHBondContact O-N 3.5Å; N229-Y233 PolarHBondContact O-N 3.44Å; N229-Y233 VanDerWaalsContact O-N 3.08Å; N229-Y432 PolarHBondContact ND2-O 2.92Å; N229-F434 PolarHBondContact ND2-O 3.26Å
230	A	96.2	Very high	93.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.3	-45.2	172.5	0	0	0	0	0	111	F171 L172 T226 I227 Q232 Y233 L234 F261	F171-A230 HydrophobicContact CD1-CB 4.4Å; F171-A230 HydrophobicContact CE1-CB 4.26Å; L172-A230 HydrophobicContact CD2-CB 4.26Å; T226-A230 WeakPolarHBondContact O-CB 3.43Å; T226-A230 PolarHBondContact O-N 2.85Å; I227-A230 PolarHBondContact O-N 3.43Å; A230-Q232 PolarHBondContact O-N 3.49Å; A230-Y233 WeakPolarHBondContact O-CB 3.23Å; A230-Y233 PolarHBondContact O-N 3.08Å; A230-L234 WeakPolarHBondContact O-CG 3.46Å; A230-L234 PolarHBondContact O-N 2.61Å; A230-F261 HydrophobicContact CB-CE1 3.8Å; A230-F261 HydrophobicContact CB-CZ 3.91Å
231	Y	96.2	Very high	93.1	Very high	10 Å²	10	34.1 Å²	34.1	4%	0.039	16%	0.162	C	C	.	.	H	α-helix	trans	-62.6	-39.8	178.7	178	-126.4	0	0	0	112.8	L210 Q211 V214 I227 Y228 L234 K235	L210-Y231 HydrophobicContact CD2-CD2 4.09Å; L210-Y231 HydrophobicContact CD2-CE2 3.74Å; L210-Y231 HydrophobicContact CG-CD2 4.38Å; L210-Y231 HydrophobicContact CG-CE2 3.85Å; Q211-Y231 PolarHBondContact OE1-OH 3.34Å; V214-Y231 HydrophobicContact CG1-CD1 4.14Å; V214-Y231 HydrophobicContact CG1-CE1 4.07Å; V214-Y231 HydrophobicContact CG1-CG 4.47Å; V214-Y231 HydrophobicContact CG2-CD2 3.76Å; V214-Y231 HydrophobicContact CG2-CE1 4.48Å; V214-Y231 HydrophobicContact CG2-CE2 3.75Å; V214-Y231 HydrophobicContact CG2-CG 4.17Å; I227-Y231 WeakPolarHBondContact O-CB 3.42Å; I227-Y231 PolarHBondContact O-N 3.39Å; Y228-Y231 PolarHBondContact O-N 2.96Å; Y231-L234 PolarHBondContact O-N 3.07Å; Y231-K235 HydrophobicContact CD1-CD 4.34Å; Y231-K235 HydrophobicContact CD2-CG 4.45Å; Y231-K235 HydrophobicContact CE1-CD 3.75Å; Y231-K235 HydrophobicContact CE1-CG 4.41Å; Y231-K235 HydrophobicContact CE2-CD 4.18Å; Y231-K235 HydrophobicContact CE2-CG 3.95Å; Y231-K235 VanDerWaalsContact CZ-CE 3.44Å; Y231-K235 PolarHBondContact O-N 3.26Å; Y231-K235 WeakPolarHBondContact OH-CE 3.23Å; Y231-K235 PolarHBondContact OH-NZ 3.33Å; Y231-K235 VanDerWaalsContact OH-NZ 3.11Å
232	Q	93.7	Very high	93	Very high	91 Å²	91	37 Å²	37	43%	0.425	18%	0.177	S	C	.	.	H	α-helix	trans	-63.8	-41.8	174.2	-69.6	-62.2	-9.5	0	0	111.9	Y228 N229 A230 L234 K235 Q236	Y228-Q232 WeakPolarHBondContact O-CG 3.46Å; Y228-Q232 PolarHBondContact O-N 2.96Å; N229-Q232 PolarHBondContact O-N 3.5Å; A230-Q232 PolarHBondContact O-N 3.49Å; Q232-L234 VanDerWaalsContact C-N 3.32Å; Q232-L234 PolarHBondContact O-N 2.76Å; Q232-K235 PolarHBondContact O-N 2.84Å; Q232-Q236 WeakPolarHBondContact O-CG 3.44Å; Q232-Q236 PolarHBondContact O-N 3.22Å
233	Y	94.4	Very high	92.8	Very high	53 Å²	53	40 Å²	40	21%	0.208	20%	0.199	C	C	.	.	H	α-helix	trans	-59.2	-42.9	173.2	171.3	-94.6	0	0	0	111.8	N229 A230 Q236 T237 A257 F261	N229-Y233 PolarHBondContact O-N 3.44Å; N229-Y233 VanDerWaalsContact O-N 3.08Å; A230-Y233 WeakPolarHBondContact O-CB 3.23Å; A230-Y233 PolarHBondContact O-N 3.08Å; Y233-Q236 PolarHBondContact O-N 2.9Å; Y233-T237 WeakPolarHBondContact O-CB 3.47Å; Y233-T237 PolarHBondContact O-N 3.37Å; Y233-T237 PolarHBondContact O-OG1 3Å; Y233-A257 HydrophobicContact CE1-CB 4.45Å; Y233-A257 WeakPolarHBondContact CE1-O 3.26Å; Y233-A257 PolarHBondContact OH-O 2.77Å; Y233-F261 HydrophobicContact CD1-CB 3.98Å; Y233-F261 AromaticContact CD1-CD2 3.49Å; Y233-F261 HydrophobicContact CD1-CD2 3.49Å; Y233-F261 VanDerWaalsContact CD1-CD2 3.49Å; Y233-F261 HydrophobicContact CD1-CE2 4.22Å; Y233-F261 AromaticContact CD1-CG 3.91Å; Y233-F261 HydrophobicContact CD1-CG 3.91Å; Y233-F261 AromaticContact CD2-CD2 4Å; Y233-F261 HydrophobicContact CD2-CD2 4Å; Y233-F261 HydrophobicContact CD2-CE2 4.48Å; Y233-F261 HydrophobicContact CE1-CB 3.57Å; Y233-F261 AromaticContact CE1-CD2 3.83Å; Y233-F261 HydrophobicContact CE1-CD2 3.83Å; Y233-F261 HydrophobicContact CE1-CG 4.02Å; Y233-F261 HydrophobicContact CE2-CD2 4.27Å; Y233-F261 AromaticContact CG-CD2 3.58Å; Y233-F261 HydrophobicContact CG-CD2 3.58Å; Y233-F261 AromaticContact CG-CE2 3.98Å; Y233-F261 HydrophobicContact CG-CE2 3.98Å; Y233-F261 HydrophobicContact CG-CG 4.44Å
234	L	95.1	Very high	92.5	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-64.6	-41.9	176.2	-64	-177.8	0	0	0	112.2	F171 L210 A230 Y231 Q232 Q236 T237 L238 F254 I258	F171-L234 HydrophobicContact CE1-CD1 4.21Å; F171-L234 HydrophobicContact CZ-CD1 4.46Å; L210-L234 HydrophobicContact CD2-CB 4.39Å; A230-L234 WeakPolarHBondContact O-CG 3.46Å; A230-L234 PolarHBondContact O-N 2.61Å; Y231-L234 PolarHBondContact O-N 3.07Å; Q232-L234 VanDerWaalsContact C-N 3.32Å; Q232-L234 PolarHBondContact O-N 2.76Å; L234-Q236 PolarHBondContact O-N 2.93Å; L234-T237 WeakPolarHBondContact O-CB 3.49Å; L234-T237 PolarHBondContact O-N 3.28Å; L234-L238 WeakPolarHBondContact O-CG 3.24Å; L234-L238 PolarHBondContact O-N 2.82Å; L234-F254 HydrophobicContact CB-CE2 4.31Å; L234-F254 HydrophobicContact CB-CZ 4.05Å; L234-F254 HydrophobicContact CD2-CE2 4.19Å; L234-F254 HydrophobicContact CD2-CZ 4.06Å; L234-F254 HydrophobicContact CG-CZ 4.45Å; L234-I258 HydrophobicContact CD2-CD1 4.22Å; L234-I258 HydrophobicContact CD2-CG1 3.48Å; L234-I258 VanDerWaalsContact CD2-CG1 3.48Å
235	K	94.1	Very high	92	Very high	73 Å²	73	49.4 Å²	49.4	32%	0.317	25%	0.245	S	C	.	.	H	α-helix	trans	-59	-46.1	174.7	-81.8	-177.2	139.1	162.3	0	112.3	Y231 Q232 T237 L238 T239	Y231-K235 HydrophobicContact CD1-CD 4.34Å; Y231-K235 HydrophobicContact CD2-CG 4.45Å; Y231-K235 HydrophobicContact CE1-CD 3.75Å; Y231-K235 HydrophobicContact CE1-CG 4.41Å; Y231-K235 HydrophobicContact CE2-CD 4.18Å; Y231-K235 HydrophobicContact CE2-CG 3.95Å; Y231-K235 VanDerWaalsContact CZ-CE 3.44Å; Y231-K235 PolarHBondContact O-N 3.26Å; Y231-K235 WeakPolarHBondContact OH-CE 3.23Å; Y231-K235 PolarHBondContact OH-NZ 3.33Å; Y231-K235 VanDerWaalsContact OH-NZ 3.11Å; Q232-K235 PolarHBondContact O-N 2.84Å; K235-T237 VanDerWaalsContact C-N 3.3Å; K235-T237 PolarHBondContact O-N 3.06Å; K235-L238 PolarHBondContact O-N 3.41Å; K235-T239 PolarHBondContact O-N 3.48Å; K235-T239 PolarHBondContact O-OG1 3.19Å
236	Q	91.6	Very high	91.7	Very high	82 Å²	82	53.3 Å²	53.3	38%	0.383	27%	0.266	S	S	.	.	H	α-helix	trans	-62.7	-40.4	177.2	-70.5	167.4	-5.9	0	0	111.4	Q232 Y233 L234 L238 T239 R240 V538	Q232-Q236 WeakPolarHBondContact O-CG 3.44Å; Q232-Q236 PolarHBondContact O-N 3.22Å; Y233-Q236 PolarHBondContact O-N 2.9Å; L234-Q236 PolarHBondContact O-N 2.93Å; Q236-L238 VanDerWaalsContact C-N 3.34Å; Q236-L238 PolarHBondContact O-N 3.07Å; Q236-T239 PolarHBondContact O-N 2.71Å; Q236-R240 PolarHBondContact O-N 2.82Å; Q236-V538 HydrophobicContact CG-CG1 4.32Å
237	T	93.1	Very high	91.4	Very high	4 Å²	4	54.9 Å²	54.9	3%	0.025	27%	0.272	C	S	.	.	H	α-helix	trans	-61.9	-42.2	175.7	-53.9	0	0	0	0	111.1	Y233 L234 K235 T239 R240 L241 F254 A257	Y233-T237 WeakPolarHBondContact O-CB 3.47Å; Y233-T237 PolarHBondContact O-N 3.37Å; Y233-T237 PolarHBondContact O-OG1 3Å; L234-T237 WeakPolarHBondContact O-CB 3.49Å; L234-T237 PolarHBondContact O-N 3.28Å; K235-T237 VanDerWaalsContact C-N 3.3Å; K235-T237 PolarHBondContact O-N 3.06Å; T237-T239 PolarHBondContact O-N 2.74Å; T237-R240 PolarHBondContact O-N 3.14Å; T237-L241 HydrophobicContact CG2-CD1 3.94Å; T237-L241 HydrophobicContact CG2-CG 4.43Å; T237-L241 WeakPolarHBondContact O-CB 3.43Å; T237-L241 WeakPolarHBondContact O-CG 3.39Å; T237-L241 PolarHBondContact O-N 3.14Å; T237-F254 HydrophobicContact CG2-CD2 3.69Å; T237-F254 HydrophobicContact CG2-CE2 4.07Å; T237-A257 HydrophobicContact CG2-CB 3.6Å
238	L	92.2	Very high	91.1	Very high	13 Å²	13	58.6 Å²	58.6	7%	0.068	29%	0.292	C	S	.	.	H	α-helix	trans	-62.2	-40.9	174.9	-69.3	172.4	0	0	0	112.3	F202 C203 F206 L210 L234 K235 Q236 L241 D242 F254	F202-L238 HydrophobicContact CD1-CD2 4.48Å; F202-L238 HydrophobicContact CE1-CD2 4.07Å; C203-L238 PolarHBondContact SG-O 3.16Å; F206-L238 HydrophobicContact CD1-CD1 4.17Å; F206-L238 HydrophobicContact CD1-CD2 4.01Å; L210-L238 HydrophobicContact CD2-CD1 4.37Å; L234-L238 WeakPolarHBondContact O-CG 3.24Å; L234-L238 PolarHBondContact O-N 2.82Å; K235-L238 PolarHBondContact O-N 3.41Å; Q236-L238 VanDerWaalsContact C-N 3.34Å; Q236-L238 PolarHBondContact O-N 3.07Å; L238-L241 PolarHBondContact O-N 2.94Å; L238-D242 PolarHBondContact O-N 3.36Å; L238-F254 HydrophobicContact CD1-CE2 4.49Å; L238-F254 HydrophobicContact CD1-CZ 4.3Å; L238-F254 HydrophobicContact CD2-CD1 4.42Å; L238-F254 HydrophobicContact CD2-CD2 3.83Å; L238-F254 HydrophobicContact CD2-CE1 4.19Å; L238-F254 HydrophobicContact CD2-CE2 3.58Å; L238-F254 HydrophobicContact CD2-CG 4.26Å; L238-F254 HydrophobicContact CD2-CZ 3.78Å; L238-F254 HydrophobicContact CG-CD2 4.27Å; L238-F254 HydrophobicContact CG-CE2 3.61Å; L238-F254 HydrophobicContact CG-CZ 3.87Å
239	T	90.9	Very high	90.9	Very high	111 Å²	111	61.2 Å²	61.2	68%	0.681	31%	0.307	S	S	*	.	H	α-helix	trans	-64.2	-41.1	175.9	-57.5	0	0	0	0	111.9	K235 Q236 T237 L241 D242	K235-T239 PolarHBondContact O-N 3.48Å; K235-T239 PolarHBondContact O-OG1 3.19Å; Q236-T239 PolarHBondContact O-N 2.71Å; T237-T239 PolarHBondContact O-N 2.74Å; T239-L241 VanDerWaalsContact C-N 3.32Å; T239-L241 PolarHBondContact O-N 3.46Å; T239-D242 WeakPolarHBondContact O-CB 3.46Å; T239-D242 PolarHBondContact O-N 2.77Å
240	R	89.4	Confident	90.7	Very high	117 Å²	117	60.1 Å²	60.1	44%	0.442	30%	0.301	S	S	.	.	H	α-helix	trans	-64.2	-38.3	177.4	-174.8	176.2	64.8	-173.3	1.1	112.1	Q236 T237 D242 S243	Q236-R240 PolarHBondContact O-N 2.82Å; T237-R240 PolarHBondContact O-N 3.14Å; R240-D242 VanDerWaalsContact C-N 3.32Å; R240-D242 PolarHBondContact O-N 3.25Å; R240-S243 PolarHBondContact O-OG 3.36Å
241	L	89.7	Confident	90.5	Very high	13 Å²	13	63 Å²	63	7%	0.068	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-82.7	-0.9	-179.5	-64.4	176.2	0	0	0	113.9	C203 T237 L238 T239 S243 V244 S253 F254	C203-L241 VanDerWaalsContact SG-C 3.6Å; T237-L241 HydrophobicContact CG2-CD1 3.94Å; T237-L241 HydrophobicContact CG2-CG 4.43Å; T237-L241 WeakPolarHBondContact O-CB 3.43Å; T237-L241 WeakPolarHBondContact O-CG 3.39Å; T237-L241 PolarHBondContact O-N 3.14Å; L238-L241 PolarHBondContact O-N 2.94Å; T239-L241 VanDerWaalsContact C-N 3.32Å; T239-L241 PolarHBondContact O-N 3.46Å; L241-S243 PolarHBondContact O-N 2.66Å; L241-S243 VanDerWaalsContact O-N 3.1Å; L241-V244 HydrophobicContact CD2-CG2 4.15Å; L241-V244 PolarHBondContact O-N 2.73Å; L241-S253 WeakPolarHBondContact CD2-OG 3.3Å; L241-F254 HydrophobicContact CD1-CB 3.92Å; L241-F254 HydrophobicContact CD1-CD2 4.22Å
242	D	87.7	Confident	90.4	Very high	64 Å²	64	66.1 Å²	66.1	34%	0.342	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-63.8	-15.8	178.5	-162.8	55.7	0	0	0	113.1	C203 R204 L238 T239 R240	C203-D242 HydrophobicContact CB-CB 4.5Å; R204-D242 IonicContact NE-OD1 3.5Å; R204-D242 PolarHBondContact NE-OD1 2.88Å; R204-D242 IonicContact NE-OD2 3.91Å; R204-D242 IonicContact NH2-OD2 3.66Å; L238-D242 PolarHBondContact O-N 3.36Å; T239-D242 WeakPolarHBondContact O-CB 3.46Å; T239-D242 PolarHBondContact O-N 2.77Å; R240-D242 VanDerWaalsContact C-N 3.32Å; R240-D242 PolarHBondContact O-N 3.25Å
243	S	85.7	Confident	90.4	Very high	100 Å²	100	63.9 Å²	63.9	70%	0.699	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-81.9	-13.9	174.6	58.8	0	0	0	0	114.4	R240 L241	R240-S243 PolarHBondContact O-OG 3.36Å; L241-S243 PolarHBondContact O-N 2.66Å; L241-S243 VanDerWaalsContact O-N 3.1Å
244	V	86.2	Confident	90.5	Very high	36 Å²	36	61.4 Å²	61.4	22%	0.218	31%	0.314	C	S	.	.			trans	-87	114.5	-178.6	-176.8	0	0	0	0	109	L241 E249 C250	L241-V244 HydrophobicContact CD2-CG2 4.15Å; L241-V244 PolarHBondContact O-N 2.73Å; V244-E249 HydrophobicContact CG1-CB 4.32Å; V244-E249 HydrophobicContact CG1-CG 4.27Å; V244-C250 HydrophobicContact CB-CB 4.22Å; V244-C250 HydrophobicContact CG1-CB 3.98Å
245	E	82.4	Confident	90.5	Very high	173 Å²	173	62.5 Å²	62.5	81%	0.808	32%	0.32	S	S	*	.			trans	-79.1	-31.5	-178.7	-64.1	-173.8	172.9	0	0	112.7	W247	E245-W247 PolarHBondContact O-N 2.86Å
246	D	87.8	Confident	90.6	Very high	83 Å²	83	62.6 Å²	62.6	44%	0.444	33%	0.329	S	S	.	.			trans	-73.1	125.1	-179	-173.1	78	0	0	0	111.7	D248 E249 C250	D246-D248 PolarHBondContact OD2-N 3.21Å; D246-D248 VanDerWaalsContact OD2-N 3.16Å; D246-E249 HydrophobicContact CB-CB 3.9Å; D246-E249 VanDerWaalsContact OD2-CB 3.32Å; D246-E249 WeakPolarHBondContact OD2-CB 3.36Å; D246-E249 PolarHBondContact OD2-N 2.88Å; D246-C250 WeakPolarHBondContact O-CB 3.49Å; D246-C250 PolarHBondContact O-N 2.65Å
247	W	88.9	Confident	90.8	Very high	32 Å²	32	58.9 Å²	58.9	12%	0.121	31%	0.313	C	S	.	.	H	α-helix	trans	-68	-44.6	-174.1	-175.5	-92.4	0	0	0	112.5	F182 P184 A200 F202 E245 R251	F182-W247 HydrophobicContact CD1-CH2 4.16Å; F182-W247 AromaticContact CD1-CZ2 3.64Å; F182-W247 HydrophobicContact CD1-CZ2 3.64Å; F182-W247 AromaticContact CE1-CH2 3.59Å; F182-W247 HydrophobicContact CE1-CH2 3.59Å; F182-W247 AromaticContact CE1-CZ2 3.57Å; F182-W247 HydrophobicContact CE1-CZ2 3.57Å; P184-W247 HydrophobicContact CB-CD2 4.22Å; P184-W247 HydrophobicContact CB-CH2 4.42Å; P184-W247 HydrophobicContact CB-CZ2 4.11Å; A200-W247 VanDerWaalsContact O-CZ3 3.24Å; A200-W247 WeakPolarHBondContact O-CZ3 3.39Å; F202-W247 HydrophobicContact CB-CD2 3.88Å; F202-W247 HydrophobicContact CB-CE3 3.53Å; F202-W247 HydrophobicContact CB-CH2 4.07Å; F202-W247 HydrophobicContact CB-CZ2 4.36Å; F202-W247 HydrophobicContact CB-CZ3 3.7Å; F202-W247 HydrophobicContact CD2-CD2 4.09Å; F202-W247 AromaticContact CD2-CE2 3.64Å; F202-W247 HydrophobicContact CD2-CE3 4.41Å; F202-W247 AromaticContact CD2-CH2 3.95Å; F202-W247 HydrophobicContact CD2-CH2 3.95Å; F202-W247 AromaticContact CD2-CZ2 3.54Å; F202-W247 HydrophobicContact CD2-CZ2 3.54Å; F202-W247 HydrophobicContact CD2-CZ3 4.4Å; F202-W247 HydrophobicContact CE2-CZ2 4.34Å; F202-W247 HydrophobicContact CG-CD2 4.5Å; F202-W247 HydrophobicContact CG-CE3 4.49Å; F202-W247 HydrophobicContact CG-CH2 4.42Å; F202-W247 HydrophobicContact CG-CZ2 4.39Å; E245-W247 PolarHBondContact O-N 2.86Å; W247-R251 VanDerWaalsContact O-CB 3.29Å; W247-R251 WeakPolarHBondContact O-CB 3.25Å; W247-R251 PolarHBondContact O-N 2.94Å
248	D	89.2	Confident	91	Very high	80 Å²	80	58.7 Å²	58.7	43%	0.428	31%	0.311	S	S	.	.	H	α-helix	trans	-72	-42.3	-176.2	-76.6	-49.6	0	0	0	110.5	D246 R251 D252	D246-D248 PolarHBondContact OD2-N 3.21Å; D246-D248 VanDerWaalsContact OD2-N 3.16Å; D248-R251 PolarHBondContact O-N 3.21Å; D248-R251 IonicContact OD1-CZ 3.24Å; D248-R251 IonicContact OD1-NH1 2.82Å; D248-R251 PolarHBondContact OD1-NH1 3.28Å; D248-R251 IonicContact OD1-NH2 3.76Å; D248-R251 PolarHBondContact OD1-NH2 3.15Å; D248-D252 WeakPolarHBondContact O-CB 3.25Å; D248-D252 PolarHBondContact O-N 3.29Å
249	E	90.1	Very high	91.3	Very high	125 Å²	125	61.6 Å²	61.6	58%	0.584	33%	0.33	S	S	*	.	H	α-helix	trans	-60.7	-46.9	173.9	-172.4	178.2	-179.6	0	0	111.4	V244 D246 R251 D252 S253	V244-E249 HydrophobicContact CG1-CB 4.32Å; V244-E249 HydrophobicContact CG1-CG 4.27Å; D246-E249 HydrophobicContact CB-CB 3.9Å; D246-E249 VanDerWaalsContact OD2-CB 3.32Å; D246-E249 WeakPolarHBondContact OD2-CB 3.36Å; D246-E249 PolarHBondContact OD2-N 2.88Å; E249-R251 PolarHBondContact O-N 3.17Å; E249-D252 PolarHBondContact O-N 2.99Å; E249-S253 VanDerWaalsContact O-CB 3.29Å; E249-S253 WeakPolarHBondContact O-CB 3.48Å; E249-S253 PolarHBondContact O-N 2.62Å
250	C	90.7	Very high	91.5	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.007	32%	0.321	C	S	.	.	H	α-helix	trans	-62.6	-43.5	177.6	-176.2	0	0	0	0	111.6	F202 V244 D246 F254	F202-C250 HydrophobicContact CB-CB 4.13Å; F202-C250 VanDerWaalsContact CD1-SG 3.53Å; F202-C250 HydrophobicContact CG-CB 4.49Å; V244-C250 HydrophobicContact CB-CB 4.22Å; V244-C250 HydrophobicContact CG1-CB 3.98Å; D246-C250 WeakPolarHBondContact O-CB 3.49Å; D246-C250 PolarHBondContact O-N 2.65Å; C250-F254 WeakPolarHBondContact O-CB 3.39Å; C250-F254 PolarHBondContact O-N 3.24Å
251	R	92.1	Very high	91.9	Very high	60 Å²	60	56.2 Å²	56.2	23%	0.226	30%	0.302	C	S	.	.	H	α-helix	trans	-60.9	-48.1	177.3	-177.8	-165	66.3	-139.1	-13.4	111.1	I179 F202 W247 D248 E249 F254 L255	I179-R251 HydrophobicContact CG2-CG 3.59Å; F202-R251 HydrophobicContact CD2-CB 4.28Å; F202-R251 HydrophobicContact CE2-CB 4.09Å; F202-R251 HydrophobicContact CE2-CG 4.12Å; W247-R251 VanDerWaalsContact O-CB 3.29Å; W247-R251 WeakPolarHBondContact O-CB 3.25Å; W247-R251 PolarHBondContact O-N 2.94Å; D248-R251 PolarHBondContact O-N 3.21Å; D248-R251 IonicContact OD1-CZ 3.24Å; D248-R251 IonicContact OD1-NH1 2.82Å; D248-R251 PolarHBondContact OD1-NH1 3.28Å; D248-R251 IonicContact OD1-NH2 3.76Å; D248-R251 PolarHBondContact OD1-NH2 3.15Å; E249-R251 PolarHBondContact O-N 3.17Å; R251-F254 PolarHBondContact O-N 2.75Å; R251-L255 HydrophobicContact CG-CD1 4.36Å; R251-L255 WeakPolarHBondContact O-CG 3.22Å; R251-L255 PolarHBondContact O-N 3.38Å
252	D	94	Very high	92.2	Very high	76 Å²	76	57.4 Å²	57.4	41%	0.406	31%	0.305	S	S	.	.	H	α-helix	trans	-71.8	-34.4	-175.2	-67.6	-6.6	0	0	0	111.2	D248 E249 S256	D248-D252 WeakPolarHBondContact O-CB 3.25Å; D248-D252 PolarHBondContact O-N 3.29Å; E249-D252 PolarHBondContact O-N 2.99Å; D252-S256 WeakPolarHBondContact O-CB 3.4Å; D252-S256 PolarHBondContact O-N 3.06Å; D252-S256 PolarHBondContact O-OG 2.99Å
253	S	93.9	Very high	92.7	Very high	45 Å²	45	60.7 Å²	60.7	32%	0.315	31%	0.313	S	S	.	.	H	α-helix	trans	-63.5	-42.4	169.4	179.5	0	0	0	0	111.8	L241 E249 S256 A257	L241-S253 WeakPolarHBondContact CD2-OG 3.3Å; E249-S253 VanDerWaalsContact O-CB 3.29Å; E249-S253 WeakPolarHBondContact O-CB 3.48Å; E249-S253 PolarHBondContact O-N 2.62Å; S253-S256 WeakPolarHBondContact O-CB 3.34Å; S253-S256 PolarHBondContact O-N 3.32Å; S253-A257 PolarHBondContact O-N 3.28Å
254	F	94.9	Very high	93.1	Very high	1 Å²	1	57.4 Å²	57.4	0%	0.004	30%	0.295	C	S	.	.	H	α-helix	trans	-66.4	-40.9	178.4	-170.3	-116.3	0	0	0	112.3	I179 F202 F206 L234 T237 L238 L241 C250 R251 A257 I258	I179-F254 HydrophobicContact CD1-CD1 3.45Å; I179-F254 VanDerWaalsContact CD1-CD1 3.45Å; I179-F254 HydrophobicContact CD1-CE1 3.44Å; I179-F254 VanDerWaalsContact CD1-CE1 3.44Å; I179-F254 HydrophobicContact CG1-CD1 4Å; I179-F254 HydrophobicContact CG1-CE1 4.02Å; F202-F254 HydrophobicContact CE1-CB 4.19Å; F202-F254 AromaticContact CE1-CD1 4Å; F202-F254 HydrophobicContact CE1-CD1 4Å; F202-F254 HydrophobicContact CE1-CG 4.18Å; F202-F254 HydrophobicContact CZ-CD1 4.16Å; F206-F254 HydrophobicContact CD1-CE1 4.07Å; F206-F254 HydrophobicContact CE1-CD1 4.33Å; F206-F254 AromaticContact CE1-CE1 3.47Å; F206-F254 HydrophobicContact CE1-CE1 3.47Å; F206-F254 VanDerWaalsContact CE1-CE1 3.47Å; F206-F254 HydrophobicContact CE1-CZ 4.06Å; F206-F254 HydrophobicContact CZ-CE1 4.2Å; L234-F254 HydrophobicContact CB-CE2 4.31Å; L234-F254 HydrophobicContact CB-CZ 4.05Å; L234-F254 HydrophobicContact CD2-CE2 4.19Å; L234-F254 HydrophobicContact CD2-CZ 4.06Å; L234-F254 HydrophobicContact CG-CZ 4.45Å; T237-F254 HydrophobicContact CG2-CD2 3.69Å; T237-F254 HydrophobicContact CG2-CE2 4.07Å; L238-F254 HydrophobicContact CD1-CE2 4.49Å; L238-F254 HydrophobicContact CD1-CZ 4.3Å; L238-F254 HydrophobicContact CD2-CD1 4.42Å; L238-F254 HydrophobicContact CD2-CD2 3.83Å; L238-F254 HydrophobicContact CD2-CE1 4.19Å; L238-F254 HydrophobicContact CD2-CE2 3.58Å; L238-F254 HydrophobicContact CD2-CG 4.26Å; L238-F254 HydrophobicContact CD2-CZ 3.78Å; L238-F254 HydrophobicContact CG-CD2 4.27Å; L238-F254 HydrophobicContact CG-CE2 3.61Å; L238-F254 HydrophobicContact CG-CZ 3.87Å; L241-F254 HydrophobicContact CD1-CB 3.92Å; L241-F254 HydrophobicContact CD1-CD2 4.22Å; C250-F254 WeakPolarHBondContact O-CB 3.39Å; C250-F254 PolarHBondContact O-N 3.24Å; R251-F254 PolarHBondContact O-N 2.75Å; F254-A257 PolarHBondContact O-N 3.29Å; F254-I258 HydrophobicContact CD1-CD1 4.44Å; F254-I258 HydrophobicContact CE1-CD1 4.22Å; F254-I258 PolarHBondContact O-N 3.46Å
255	L	96.3	Very high	93.6	Very high	24 Å²	24	57.2 Å²	57.2	13%	0.126	30%	0.295	C	S	.	.	H	α-helix	trans	-61.3	-43.6	171.2	-76	171.9	0	0	0	111.7	E176 I179 R180 R251 A257 I258 V259	E176-L255 HydrophobicContact CB-CD2 4.1Å; E176-L255 HydrophobicContact CG-CD2 4.11Å; I179-L255 HydrophobicContact CB-CD2 3.96Å; I179-L255 HydrophobicContact CB-CG 4.48Å; I179-L255 HydrophobicContact CD1-CD2 3.93Å; I179-L255 HydrophobicContact CG2-CD1 4.19Å; I179-L255 HydrophobicContact CG2-CD2 3.85Å; I179-L255 HydrophobicContact CG2-CG 3.8Å; R180-L255 HydrophobicContact CG-CD1 4.33Å; R251-L255 HydrophobicContact CG-CD1 4.36Å; R251-L255 WeakPolarHBondContact O-CG 3.22Å; R251-L255 PolarHBondContact O-N 3.38Å; L255-A257 VanDerWaalsContact C-N 3.29Å; L255-A257 PolarHBondContact O-N 3.02Å; L255-I258 WeakPolarHBondContact O-CB 3.42Å; L255-I258 PolarHBondContact O-N 3.32Å; L255-I258 VanDerWaalsContact O-N 3.15Å; L255-V259 WeakPolarHBondContact O-CG2 3.33Å; L255-V259 PolarHBondContact O-N 2.98Å
256	S	96.7	Very high	94.3	Very high	74 Å²	74	49.1 Å²	49.1	52%	0.517	26%	0.257	S	S	.	.	H	α-helix	trans	-60.4	-39.8	176.8	-62	0	0	0	0	111.6	D252 S253 I258 V259 E260	D252-S256 WeakPolarHBondContact O-CB 3.4Å; D252-S256 PolarHBondContact O-N 3.06Å; D252-S256 PolarHBondContact O-OG 2.99Å; S253-S256 WeakPolarHBondContact O-CB 3.34Å; S253-S256 PolarHBondContact O-N 3.32Å; S256-I258 VanDerWaalsContact C-N 3.34Å; S256-I258 PolarHBondContact O-N 2.82Å; S256-V259 PolarHBondContact O-N 2.89Å; S256-E260 WeakPolarHBondContact O-CB 3.49Å; S256-E260 PolarHBondContact O-N 3.22Å
257	A	95.8	Very high	94.7	Very high	4 Å²	4	50.1 Å²	50.1	3%	0.033	26%	0.256	C	S	.	.	H	α-helix	trans	-64.4	-34.8	175.9	0	0	0	0	0	113.1	Y233 T237 S253 F254 L255 F261	Y233-A257 HydrophobicContact CE1-CB 4.45Å; Y233-A257 WeakPolarHBondContact CE1-O 3.26Å; Y233-A257 PolarHBondContact OH-O 2.77Å; T237-A257 HydrophobicContact CG2-CB 3.6Å; S253-A257 PolarHBondContact O-N 3.28Å; F254-A257 PolarHBondContact O-N 3.29Å; L255-A257 VanDerWaalsContact C-N 3.29Å; L255-A257 PolarHBondContact O-N 3.02Å; A257-F261 WeakPolarHBondContact O-CB 3.26Å; A257-F261 PolarHBondContact O-N 2.96Å
258	I	97.3	Very high	95.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66	-45.9	173.3	-70.7	165.1	0	0	0	110.9	L172 C175 E176 I179 L234 F254 L255 S256 E260 F261 R262	L172-I258 HydrophobicContact CB-CG2 4.23Å; L172-I258 HydrophobicContact CD2-CG2 4.2Å; C175-I258 HydrophobicContact CB-CD1 4.25Å; E176-I258 HydrophobicContact CG-CB 4.43Å; E176-I258 HydrophobicContact CG-CD1 4.3Å; E176-I258 HydrophobicContact CG-CG2 3.72Å; E176-I258 WeakPolarHBondContact OE1-CG2 3.44Å; I179-I258 HydrophobicContact CD1-CD1 3.27Å; L234-I258 HydrophobicContact CD2-CD1 4.22Å; L234-I258 HydrophobicContact CD2-CG1 3.48Å; L234-I258 VanDerWaalsContact CD2-CG1 3.48Å; F254-I258 HydrophobicContact CD1-CD1 4.44Å; F254-I258 HydrophobicContact CE1-CD1 4.22Å; F254-I258 PolarHBondContact O-N 3.46Å; L255-I258 WeakPolarHBondContact O-CB 3.42Å; L255-I258 PolarHBondContact O-N 3.32Å; L255-I258 VanDerWaalsContact O-N 3.15Å; S256-I258 VanDerWaalsContact C-N 3.34Å; S256-I258 PolarHBondContact O-N 2.82Å; I258-E260 VanDerWaalsContact C-N 3.32Å; I258-E260 PolarHBondContact O-N 3.23Å; I258-F261 PolarHBondContact O-N 3.41Å; I258-R262 WeakPolarHBondContact O-CB 3.35Å; I258-R262 PolarHBondContact O-N 3.32Å
259	V	97.4	Very high	95.5	Very high	75 Å²	75	48.7 Å²	48.7	46%	0.455	25%	0.25	S	S	.	.	H	α-helix	trans	-62.3	-42.6	177.8	173.9	0	0	0	0	110.5	L255 S256 R262 R263	L255-V259 WeakPolarHBondContact O-CG2 3.33Å; L255-V259 PolarHBondContact O-N 2.98Å; S256-V259 PolarHBondContact O-N 2.89Å; V259-R262 PolarHBondContact O-N 3.01Å; V259-R263 VanDerWaalsContact O-CB 3.31Å; V259-R263 WeakPolarHBondContact O-CB 3.24Å; V259-R263 PolarHBondContact O-N 3.41Å
260	E	96	Very high	95.8	Very high	107 Å²	107	42.8 Å²	42.8	50%	0.5	22%	0.223	S	C	.	.	H	α-helix	trans	-61	-47.9	175.8	-173.2	-177	179.7	0	0	111.7	S256 I258 R262 R263 G264	S256-E260 WeakPolarHBondContact O-CB 3.49Å; S256-E260 PolarHBondContact O-N 3.22Å; I258-E260 VanDerWaalsContact C-N 3.32Å; I258-E260 PolarHBondContact O-N 3.23Å; E260-R262 VanDerWaalsContact C-N 3.34Å; E260-R262 PolarHBondContact O-N 3.38Å; E260-R263 PolarHBondContact O-N 2.97Å; E260-G264 PolarHBondContact O-N 2.97Å
261	F	96.5	Very high	96.2	Very high	8 Å²	8	45.6 Å²	45.6	4%	0.035	24%	0.238	C	C	.	.	H	α-helix	trans	-58.5	-47.1	177.2	-177.7	-88.6	0	0	0	111.5	L172 A230 Y233 A257 I258 S265 I266 Y432	L172-F261 HydrophobicContact CD1-CD1 3.83Å; L172-F261 HydrophobicContact CD1-CE1 4.18Å; L172-F261 HydrophobicContact CD2-CD1 4.35Å; A230-F261 HydrophobicContact CB-CE1 3.8Å; A230-F261 HydrophobicContact CB-CZ 3.91Å; Y233-F261 HydrophobicContact CD1-CB 3.98Å; Y233-F261 AromaticContact CD1-CD2 3.49Å; Y233-F261 HydrophobicContact CD1-CD2 3.49Å; Y233-F261 VanDerWaalsContact CD1-CD2 3.49Å; Y233-F261 HydrophobicContact CD1-CE2 4.22Å; Y233-F261 AromaticContact CD1-CG 3.91Å; Y233-F261 HydrophobicContact CD1-CG 3.91Å; Y233-F261 AromaticContact CD2-CD2 4Å; Y233-F261 HydrophobicContact CD2-CD2 4Å; Y233-F261 HydrophobicContact CD2-CE2 4.48Å; Y233-F261 HydrophobicContact CE1-CB 3.57Å; Y233-F261 AromaticContact CE1-CD2 3.83Å; Y233-F261 HydrophobicContact CE1-CD2 3.83Å; Y233-F261 HydrophobicContact CE1-CG 4.02Å; Y233-F261 HydrophobicContact CE2-CD2 4.27Å; Y233-F261 AromaticContact CG-CD2 3.58Å; Y233-F261 HydrophobicContact CG-CD2 3.58Å; Y233-F261 AromaticContact CG-CE2 3.98Å; Y233-F261 HydrophobicContact CG-CE2 3.98Å; Y233-F261 HydrophobicContact CG-CG 4.44Å; A257-F261 WeakPolarHBondContact O-CB 3.26Å; A257-F261 PolarHBondContact O-N 2.96Å; I258-F261 PolarHBondContact O-N 3.41Å; F261-S265 WeakPolarHBondContact O-CA 3.41Å; F261-S265 WeakPolarHBondContact O-CB 3.22Å; F261-S265 PolarHBondContact O-N 3.45Å; F261-S265 PolarHBondContact O-OG 3.43Å; F261-I266 HydrophobicContact CE1-CD1 4.49Å; F261-Y432 HydrophobicContact CE1-CD2 4.35Å; F261-Y432 AromaticContact CZ-CD2 3.97Å; F261-Y432 HydrophobicContact CZ-CD2 3.97Å; F261-Y432 HydrophobicContact CZ-CG 4.42Å
262	R	97.3	Very high	96.4	Very high	37 Å²	37	46.9 Å²	46.9	14%	0.14	25%	0.246	C	C	.	.	I	π-helix	trans	-59.6	-48.2	178.4	-169.9	-168.3	-52.3	-135.2	-8.5	111.6	L169 L172 S173 E176 I258 V259 E260 I266 Y267	L169-R262 HydrophobicContact CD2-CG 3.69Å; L172-R262 HydrophobicContact CD1-CB 4.27Å; L172-R262 HydrophobicContact CD1-CG 4.49Å; S173-R262 PolarHBondContact OG-NH1 3.5Å; S173-R262 VanDerWaalsContact OG-NH1 3.14Å; E176-R262 IonicContact OE1-CZ 3.97Å; E176-R262 IonicContact OE1-NE 3.46Å; E176-R262 IonicContact OE1-NH2 3.55Å; E176-R262 PolarHBondContact OE1-NH2 2.88Å; E176-R262 IonicContact OE2-NH2 2.78Å; I258-R262 WeakPolarHBondContact O-CB 3.35Å; I258-R262 PolarHBondContact O-N 3.32Å; V259-R262 PolarHBondContact O-N 3.01Å; E260-R262 VanDerWaalsContact C-N 3.34Å; E260-R262 PolarHBondContact O-N 3.38Å; R262-I266 WeakPolarHBondContact O-CB 3.12Å; R262-I266 PolarHBondContact O-N 3.47Å; R262-Y267 HydrophobicContact CG-CD2 4.31Å; R262-Y267 HydrophobicContact CG-CE2 3.7Å; R262-Y267 PolarHBondContact O-N 2.88Å
263	R	97.3	Very high	96.6	Very high	133 Å²	133	43.3 Å²	43.3	50%	0.502	23%	0.227	S	C	.	.	I	π-helix	trans	-67.1	-51.8	-179	-175	-173.4	65.3	86.3	5.2	111.7	V259 E260 Y267 L268	V259-R263 VanDerWaalsContact O-CB 3.31Å; V259-R263 WeakPolarHBondContact O-CB 3.24Å; V259-R263 PolarHBondContact O-N 3.41Å; E260-R263 PolarHBondContact O-N 2.97Å; R263-Y267 PolarHBondContact O-N 3.28Å; R263-L268 HydrophobicContact CG-CD1 4.19Å; R263-L268 HydrophobicContact CG-CG 4.32Å; R263-L268 WeakPolarHBondContact O-CB 3.46Å; R263-L268 WeakPolarHBondContact O-CG 3.32Å; R263-L268 PolarHBondContact O-N 3.18Å
264	G	95.2	Very high	96.8	Very high	31 Å²	31	41.2 Å²	41.2	32%	0.32	21%	0.213	S	C	.	.	I	π-helix	trans	-73.8	-53.1	-174.3	0	0	0	0	0	113	E260 A269	E260-G264 PolarHBondContact O-N 2.97Å; G264-A269 PolarHBondContact O-N 2.69Å
265	S	95	Very high	96.8	Very high	32 Å²	32	44.5 Å²	44.5	22%	0.224	23%	0.23	C	C	.	.	I	π-helix	trans	-81.6	-21.2	-170.4	-55.8	0	0	0	0	114.2	F261 A269 Y432	F261-S265 WeakPolarHBondContact O-CA 3.41Å; F261-S265 WeakPolarHBondContact O-CB 3.22Å; F261-S265 PolarHBondContact O-N 3.45Å; F261-S265 PolarHBondContact O-OG 3.43Å; S265-A269 WeakPolarHBondContact O-CB 3.01Å; S265-Y432 WeakPolarHBondContact O-CD1 3.38Å
266	I	97	Very high	96.7	Very high	4 Å²	4	47 Å²	47	2%	0.021	24%	0.238	C	C	.	.	I	π-helix	trans	-114.2	-60.6	-175.6	-49.7	179.6	0	0	0	111	L169 L172 F261 R262 G270 Y432	L169-I266 HydrophobicContact CD2-CD1 3.71Å; L169-I266 HydrophobicContact CD2-CG2 4.31Å; L169-I266 HydrophobicContact CG-CD1 4.23Å; L172-I266 HydrophobicContact CD1-CD1 4.02Å; F261-I266 HydrophobicContact CE1-CD1 4.49Å; R262-I266 WeakPolarHBondContact O-CB 3.12Å; R262-I266 PolarHBondContact O-N 3.47Å; I266-G270 PolarHBondContact O-N 3.07Å; I266-Y432 HydrophobicContact CD1-CE2 4.42Å; I266-Y432 HydrophobicContact CG1-CE1 3.96Å; I266-Y432 HydrophobicContact CG1-CE2 4.28Å
267	Y	97.4	Very high	96.6	Very high	104 Å²	104	43.5 Å²	43.5	41%	0.408	21%	0.213	S	C	.	.	I	π-helix	trans	-73.4	-60.4	-172.8	-62	-43.9	0	0	0	112.9	L169 R262 R263 A269 G270 D271	L169-Y267 HydrophobicContact CD1-CE1 4.25Å; L169-Y267 HydrophobicContact CD2-CE1 4.33Å; R262-Y267 HydrophobicContact CG-CD2 4.31Å; R262-Y267 HydrophobicContact CG-CE2 3.7Å; R262-Y267 PolarHBondContact O-N 2.88Å; R263-Y267 PolarHBondContact O-N 3.28Å; Y267-A269 VanDerWaalsContact C-N 3.34Å; Y267-A269 PolarHBondContact O-N 3.39Å; Y267-G270 PolarHBondContact O-N 2.77Å; Y267-G270 VanDerWaalsContact O-N 3.11Å; Y267-D271 PolarHBondContact O-N 3.17Å
268	L	97.6	Very high	96.6	Very high	79 Å²	79	43.6 Å²	43.6	41%	0.414	21%	0.214	S	C	.	.	I	π-helix	trans	-62.7	-42.3	-179.4	-69.1	179.9	0	0	0	111.7	R263 G270 D271 E272	R263-L268 HydrophobicContact CG-CD1 4.19Å; R263-L268 HydrophobicContact CG-CG 4.32Å; R263-L268 WeakPolarHBondContact O-CB 3.46Å; R263-L268 WeakPolarHBondContact O-CG 3.32Å; R263-L268 PolarHBondContact O-N 3.18Å; L268-G270 VanDerWaalsContact C-N 3.28Å; L268-G270 PolarHBondContact O-N 2.88Å; L268-D271 PolarHBondContact O-N 3.24Å; L268-E272 WeakPolarHBondContact O-CB 3.31Å; L268-E272 WeakPolarHBondContact O-CG 3.35Å; L268-E272 PolarHBondContact O-N 2.82Å
269	A	97.1	Very high	96.2	Very high	3 Å²	3	48.6 Å²	48.6	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-56.8	-44.6	173.9	0	0	0	0	0	111.8	G264 S265 Y267 E272 I273 E430 E518	G264-A269 PolarHBondContact O-N 2.69Å; S265-A269 WeakPolarHBondContact O-CB 3.01Å; Y267-A269 VanDerWaalsContact C-N 3.34Å; Y267-A269 PolarHBondContact O-N 3.39Å; A269-E272 PolarHBondContact O-N 2.91Å; A269-I273 WeakPolarHBondContact O-CD1 3.46Å; A269-I273 VanDerWaalsContact O-CG1 3.23Å; A269-I273 WeakPolarHBondContact O-CG1 3.27Å; A269-I273 PolarHBondContact O-N 3.26Å; A269-E430 HydrophobicContact CB-CB 4.29Å; A269-E430 HydrophobicContact CB-CG 4.11Å; A269-E518 HydrophobicContact CB-CB 3.88Å; A269-E518 HydrophobicContact CB-CG 3.79Å
270	G	97.4	Very high	96	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-67.3	-35.5	178	0	0	0	0	0	113.8	I266 Y267 L268 I273 V274 L295 R298	I266-G270 PolarHBondContact O-N 3.07Å; Y267-G270 PolarHBondContact O-N 2.77Å; Y267-G270 VanDerWaalsContact O-N 3.11Å; L268-G270 VanDerWaalsContact C-N 3.28Å; L268-G270 PolarHBondContact O-N 2.88Å; G270-I273 PolarHBondContact O-N 3.15Å; G270-V274 VanDerWaalsContact O-CG2 3.24Å; G270-V274 WeakPolarHBondContact O-CG2 3.13Å; G270-V274 PolarHBondContact O-N 3.18Å; G270-L295 WeakPolarHBondContact O-CD1 3.45Å; G270-R298 VanDerWaalsContact CA-NH2 3.3Å
271	D	97.5	Very high	95.9	Very high	60 Å²	60	43 Å²	43	32%	0.321	21%	0.211	S	C	.	.	H	α-helix	trans	-67.6	-43	176.5	-67	-11.7	0	0	0	111.2	Y267 L268 I273 V274 D275 R298	Y267-D271 PolarHBondContact O-N 3.17Å; L268-D271 PolarHBondContact O-N 3.24Å; D271-I273 VanDerWaalsContact C-N 3.32Å; D271-I273 PolarHBondContact O-N 3.08Å; D271-V274 WeakPolarHBondContact O-CB 3.19Å; D271-V274 PolarHBondContact O-N 2.95Å; D271-V274 VanDerWaalsContact O-N 3.13Å; D271-D275 PolarHBondContact O-N 3.4Å; D271-R298 IonicContact OD1-CZ 3.54Å; D271-R298 IonicContact OD1-NH1 3.92Å; D271-R298 PolarHBondContact OD1-NH1 3.48Å; D271-R298 IonicContact OD1-NH2 2.75Å
272	E	97.5	Very high	95.6	Very high	88 Å²	88	51 Å²	51	41%	0.411	24%	0.241	S	C	.	.	H	α-helix	trans	-61	-36.8	173.7	-80.2	-65.9	146.2	0	0	113	L268 A269 R276 E518	L268-E272 WeakPolarHBondContact O-CB 3.31Å; L268-E272 WeakPolarHBondContact O-CG 3.35Å; L268-E272 PolarHBondContact O-N 2.82Å; A269-E272 PolarHBondContact O-N 2.91Å; E272-R276 WeakPolarHBondContact O-CG 3.38Å; E272-R276 PolarHBondContact O-N 2.89Å; E272-R276 PolarHBondContact O-NH1 3.39Å; E272-R276 IonicContact OE2-CZ 3.63Å; E272-R276 VanDerWaalsContact OE2-CZ 3.27Å; E272-R276 IonicContact OE2-NH1 3.43Å; E272-R276 PolarHBondContact OE2-NH1 3.31Å; E272-R276 IonicContact OE2-NH2 3.98Å; E272-R276 PolarHBondContact OE2-NH2 3.29Å; E272-E518 HydrophobicContact CB-CB 3.87Å
273	I	98	Very high	95.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-69.1	-42.9	173.4	-68.9	161.8	0	0	0	110.5	A269 G270 D271 D275 R276 T277 L295 C428 A429 E430 V516 T517	A269-I273 WeakPolarHBondContact O-CD1 3.46Å; A269-I273 VanDerWaalsContact O-CG1 3.23Å; A269-I273 WeakPolarHBondContact O-CG1 3.27Å; A269-I273 PolarHBondContact O-N 3.26Å; G270-I273 PolarHBondContact O-N 3.15Å; D271-I273 VanDerWaalsContact C-N 3.32Å; D271-I273 PolarHBondContact O-N 3.08Å; I273-D275 PolarHBondContact O-N 3.45Å; I273-R276 PolarHBondContact O-N 3.44Å; I273-T277 WeakPolarHBondContact O-CB 2.83Å; I273-T277 PolarHBondContact O-N 3.06Å; I273-T277 PolarHBondContact O-OG1 2.87Å; I273-L295 HydrophobicContact CB-CD1 4.3Å; I273-L295 HydrophobicContact CB-CD2 4.48Å; I273-L295 HydrophobicContact CD1-CD2 4.04Å; I273-L295 HydrophobicContact CG2-CD1 4.23Å; I273-L295 HydrophobicContact CG2-CD2 3.93Å; I273-L295 HydrophobicContact CG2-CG 4.26Å; I273-C428 HydrophobicContact CG2-CB 3.9Å; I273-A429 WeakPolarHBondContact CD1-O 3.27Å; I273-E430 HydrophobicContact CD1-CB 4.32Å; I273-E430 HydrophobicContact CD1-CG 3.87Å; I273-V516 HydrophobicContact CG2-CB 4.43Å; I273-V516 HydrophobicContact CG2-CG1 4.08Å; I273-T517 VanDerWaalsContact CG1-C 3.43Å
274	V	97.5	Very high	94.8	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.012	26%	0.255	C	S	.	.	H	α-helix	trans	-56.9	-51.4	177.9	165.3	0	0	0	0	110.2	G270 D271 R276 T277 V278 L295 R298 V299 R302	G270-V274 VanDerWaalsContact O-CG2 3.24Å; G270-V274 WeakPolarHBondContact O-CG2 3.13Å; G270-V274 PolarHBondContact O-N 3.18Å; D271-V274 WeakPolarHBondContact O-CB 3.19Å; D271-V274 PolarHBondContact O-N 2.95Å; D271-V274 VanDerWaalsContact O-N 3.13Å; V274-R276 VanDerWaalsContact C-N 3.32Å; V274-R276 PolarHBondContact O-N 3Å; V274-T277 PolarHBondContact O-N 2.77Å; V274-V278 HydrophobicContact CG1-CG2 4.12Å; V274-V278 VanDerWaalsContact O-CB 3.31Å; V274-V278 WeakPolarHBondContact O-CB 3.48Å; V274-V278 WeakPolarHBondContact O-CG2 3.34Å; V274-V278 PolarHBondContact O-N 2.92Å; V274-L295 HydrophobicContact CG2-CD1 4.08Å; V274-R298 HydrophobicContact CG2-CB 3.69Å; V274-V299 HydrophobicContact CB-CG2 4.49Å; V274-V299 HydrophobicContact CG2-CG2 3.97Å; V274-R302 HydrophobicContact CG1-CB 3.57Å; V274-R302 HydrophobicContact CG1-CG 3.73Å
275	D	94.5	Very high	94.8	Very high	70 Å²	70	48 Å²	48	37%	0.374	25%	0.246	S	C	.	.	H	α-helix	trans	-65.1	-35.5	-176.7	-69.3	-22.9	0	0	0	112.6	D271 I273 N279 R302	D271-D275 PolarHBondContact O-N 3.4Å; I273-D275 PolarHBondContact O-N 3.45Å; D275-N279 PolarHBondContact O-ND2 3.01Å; D275-R302 IonicContact OD1-CZ 3.21Å; D275-R302 IonicContact OD1-NH1 2.53Å; D275-R302 PolarHBondContact OD1-NH1 2.85Å; D275-R302 IonicContact OD2-NH1 2.74Å
276	R	94.8	Very high	94.9	Very high	75 Å²	75	47 Å²	47	28%	0.283	24%	0.239	S	C	.	.	H	α-helix	trans	-68.5	-49.3	173.8	-75.7	-177	-173.6	75.8	3.7	112.6	E272 I273 V274 V278 N279 V516	E272-R276 WeakPolarHBondContact O-CG 3.38Å; E272-R276 PolarHBondContact O-N 2.89Å; E272-R276 PolarHBondContact O-NH1 3.39Å; E272-R276 IonicContact OE2-CZ 3.63Å; E272-R276 VanDerWaalsContact OE2-CZ 3.27Å; E272-R276 IonicContact OE2-NH1 3.43Å; E272-R276 PolarHBondContact OE2-NH1 3.31Å; E272-R276 IonicContact OE2-NH2 3.98Å; E272-R276 PolarHBondContact OE2-NH2 3.29Å; I273-R276 PolarHBondContact O-N 3.44Å; V274-R276 VanDerWaalsContact C-N 3.32Å; V274-R276 PolarHBondContact O-N 3Å; R276-V278 VanDerWaalsContact C-N 3.31Å; R276-V278 PolarHBondContact O-N 3.17Å; R276-N279 PolarHBondContact O-N 2.96Å; R276-V516 HydrophobicContact CB-CG1 3.69Å
277	T	95.6	Very high	94.9	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-68.4	-33.2	-176.3	-54.3	0	0	0	0	111.7	I273 V274 N279 L280 V299 I392 C428 V516	I273-T277 WeakPolarHBondContact O-CB 2.83Å; I273-T277 PolarHBondContact O-N 3.06Å; I273-T277 PolarHBondContact O-OG1 2.87Å; V274-T277 PolarHBondContact O-N 2.77Å; T277-N279 PolarHBondContact O-N 3.43Å; T277-L280 WeakPolarHBondContact O-CB 3.32Å; T277-L280 PolarHBondContact O-N 2.87Å; T277-V299 HydrophobicContact CG2-CG1 3.52Å; T277-V299 HydrophobicContact CG2-CG2 4.2Å; T277-I392 HydrophobicContact CG2-CD1 4.02Å; T277-I392 HydrophobicContact CG2-CG2 4.48Å; T277-C428 PolarHBondContact OG1-SG 2.9Å; T277-C428 VanDerWaalsContact OG1-SG 3.39Å; T277-V516 WeakPolarHBondContact OG1-CG1 3.36Å
278	V	93.9	Very high	95	Very high	6 Å²	6	41.9 Å²	41.9	4%	0.036	22%	0.219	C	C	.	.	H	α-helix	trans	-54.6	-36	174.2	164.4	0	0	0	0	111.3	V274 R276 L280 R302 A303 R344	V274-V278 HydrophobicContact CG1-CG2 4.12Å; V274-V278 VanDerWaalsContact O-CB 3.31Å; V274-V278 WeakPolarHBondContact O-CB 3.48Å; V274-V278 WeakPolarHBondContact O-CG2 3.34Å; V274-V278 PolarHBondContact O-N 2.92Å; R276-V278 VanDerWaalsContact C-N 3.31Å; R276-V278 PolarHBondContact O-N 3.17Å; V278-L280 VanDerWaalsContact C-N 3.26Å; V278-L280 PolarHBondContact O-N 3.02Å; V278-R302 HydrophobicContact CG2-CB 3.87Å; V278-R302 HydrophobicContact CG2-CG 3.73Å; V278-A303 HydrophobicContact CG1-CB 4.3Å; V278-A303 HydrophobicContact CG2-CB 4.02Å; V278-R344 PolarHBondContact O-NH1 3.33Å
279	N	90.6	Very high	95	Very high	105 Å²	105	38.2 Å²	38.2	56%	0.561	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-14.1	179	-65.2	-38.3	0	0	0	113.9	D275 R276 T277	D275-N279 PolarHBondContact O-ND2 3.01Å; R276-N279 PolarHBondContact O-N 2.96Å; T277-N279 PolarHBondContact O-N 3.43Å
280	L	92	Very high	95	Very high	63 Å²	63	39.1 Å²	39.1	33%	0.33	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-23.1	177.7	-57.5	179.1	0	0	0	112.8	T277 V278 R282 I426 V516	T277-L280 WeakPolarHBondContact O-CB 3.32Å; T277-L280 PolarHBondContact O-N 2.87Å; V278-L280 VanDerWaalsContact C-N 3.26Å; V278-L280 PolarHBondContact O-N 3.02Å; L280-R282 PolarHBondContact O-N 3.5Å; L280-I426 HydrophobicContact CD1-CD1 4.48Å; L280-I426 HydrophobicContact CD1-CG1 4.44Å; L280-I426 HydrophobicContact CD1-CG2 4.13Å; L280-V516 HydrophobicContact CD1-CG2 3.82Å
281	I	93.6	Very high	95	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-81.9	116.5	-178.4	-58.4	170.6	0	0	0	109.7	E285 V287 V299 L300 A303 R344 F346 L390 I392	I281-E285 WeakPolarHBondContact CA-OE2 3.42Å; I281-V287 HydrophobicContact CG2-CG2 4.09Å; I281-V299 HydrophobicContact CD1-CG1 3.95Å; I281-L300 HydrophobicContact CD1-CD2 4.2Å; I281-A303 HydrophobicContact CD1-CB 3.81Å; I281-R344 WeakPolarHBondContact O-CD 3.16Å; I281-R344 PolarHBondContact O-NE 2.82Å; I281-F346 HydrophobicContact CG2-CB 4.35Å; I281-F346 HydrophobicContact CG2-CD1 4.08Å; I281-F346 HydrophobicContact CG2-CD2 4.37Å; I281-F346 HydrophobicContact CG2-CE1 4.48Å; I281-F346 HydrophobicContact CG2-CG 4.01Å; I281-L390 HydrophobicContact CG1-CD2 4.02Å; I281-I392 HydrophobicContact CD1-CD1 3.77Å; I281-I392 HydrophobicContact CG1-CD1 3.87Å
282	R	90.6	Very high	94.9	Very high	176 Å²	176	39 Å²	39	66%	0.664	20%	0.199	S	C	*	.	P	Polyproline II helix	trans	-90.8	151.6	179.4	-54.5	175.9	177.8	-175.4	-0.7	111.3	L280 E285	L280-R282 PolarHBondContact O-N 3.5Å; R282-E285 HydrophobicContact CB-CG 3.89Å; R282-E285 WeakPolarHBondContact CB-OE1 3.43Å; R282-E285 WeakPolarHBondContact CD-OE1 3.04Å; R282-E285 WeakPolarHBondContact CG-OE1 3.16Å; R282-E285 VanDerWaalsContact N-CD 3.34Å; R282-E285 PolarHBondContact N-OE2 3.5Å; R282-E285 WeakPolarHBondContact O-CB 3.3Å; R282-E285 WeakPolarHBondContact O-CG 3.36Å; R282-E285 PolarHBondContact O-N 3.34Å
283	P	89.1	Confident	94.9	Very high	52 Å²	52	35.9 Å²	35.9	34%	0.338	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	139.2	170.1	-21	32.5	0	0	0	111.4	E285 R344 V345	P283-E285 VanDerWaalsContact C-N 3.33Å; P283-R344 HydrophobicContact CG-CG 4.4Å; P283-V345 CarbonylContact C-O 3.53Å; P283-V345 WeakPolarHBondContact CA-O 3.42Å
284	G	89.4	Confident	94.7	Very high	58 Å²	58	37.2 Å²	37.2	60%	0.598	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	85	-5.4	-179.2	0	0	0	0	0	115.1	V345	G284-V345 PolarHBondContact N-O 2.95Å
285	E	94.3	Very high	94.7	Very high	29 Å²	29	37.2 Å²	37.2	14%	0.136	20%	0.196	C	C	.	.			trans	-69.7	147.5	-179.8	-74.9	-175	162.1	0	0	112.9	I281 R282 P283 F346 S347 S389	I281-E285 WeakPolarHBondContact CA-OE2 3.42Å; R282-E285 HydrophobicContact CB-CG 3.89Å; R282-E285 WeakPolarHBondContact CB-OE1 3.43Å; R282-E285 WeakPolarHBondContact CD-OE1 3.04Å; R282-E285 WeakPolarHBondContact CG-OE1 3.16Å; R282-E285 VanDerWaalsContact N-CD 3.34Å; R282-E285 PolarHBondContact N-OE2 3.5Å; R282-E285 WeakPolarHBondContact O-CB 3.3Å; R282-E285 WeakPolarHBondContact O-CG 3.36Å; R282-E285 PolarHBondContact O-N 3.34Å; P283-E285 VanDerWaalsContact C-N 3.33Å; E285-F346 WeakPolarHBondContact O-CA 3.29Å; E285-F346 WeakPolarHBondContact O-CB 2.97Å; E285-S347 PolarHBondContact O-N 2.94Å; E285-S389 VanDerWaalsContact CA-OG 3.29Å; E285-S389 WeakPolarHBondContact CA-OG 3.34Å; E285-S389 WeakPolarHBondContact CB-OG 3.25Å; E285-S389 WeakPolarHBondContact CG-OG 3.34Å
286	C	97	Very high	94.9	Very high	11 Å²	11	34 Å²	34	7%	0.074	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	105.5	165.4	-170.7	0	0	0	0	108.4	S347 K387 S389 L390	C286-S347 WeakPolarHBondContact CA-O 3.43Å; C286-S347 PolarHBondContact SG-OG 3.22Å; C286-K387 VanDerWaalsContact CB-O 3.22Å; C286-K387 WeakPolarHBondContact CB-O 3.15Å; C286-S389 PolarHBondContact N-OG 2.87Å; C286-S389 PolarHBondContact O-N 3.03Å; C286-S389 PolarHBondContact O-OG 2.86Å; C286-L390 PolarHBondContact O-N 3.02Å
287	V	98.1	Very high	95	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	115.8	-177.2	-175.5	0	0	0	0	109.7	I281 I289 L300 F346 S347 V348 L349 L390 I392	I281-V287 HydrophobicContact CG2-CG2 4.09Å; V287-I289 HydrophobicContact CG1-CG2 4.26Å; V287-L300 HydrophobicContact CB-CD2 4.45Å; V287-L300 HydrophobicContact CG1-CD2 4.03Å; V287-F346 HydrophobicContact CG2-CD2 3.98Å; V287-S347 PolarHBondContact N-O 3Å; V287-V348 CarbonylContact O-C 3.57Å; V287-V348 VanDerWaalsContact O-CA 3.28Å; V287-V348 WeakPolarHBondContact O-CA 3.36Å; V287-L349 PolarHBondContact O-N 3.47Å; V287-L390 CarbonylContact C-O 3.56Å; V287-L390 WeakPolarHBondContact CA-O 3.46Å; V287-L390 HydrophobicContact CG2-CD2 4.42Å; V287-I392 HydrophobicContact CG1-CB 4.18Å; V287-I392 HydrophobicContact CG1-CD1 3.71Å; V287-I392 HydrophobicContact CG1-CG1 3.77Å
288	C	98.4	Very high	95.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	133.8	173.8	-176.9	0	0	0	0	110.9	L349 V351 I388 L390 V391 I392	C288-L349 WeakPolarHBondContact CA-O 3.25Å; C288-V351 VanDerWaalsContact SG-CG2 3.57Å; C288-I388 HydrophobicContact CB-CB 4.32Å; C288-I388 HydrophobicContact CB-CD1 3.84Å; C288-I388 HydrophobicContact CB-CG1 3.94Å; C288-I388 HydrophobicContact CB-CG2 3.45Å; C288-I388 VanDerWaalsContact CB-CG2 3.45Å; C288-L390 PolarHBondContact N-O 3.46Å; C288-V391 HydrophobicContact CB-CG1 4.47Å; C288-V391 HydrophobicContact CB-CG2 4.29Å; C288-V391 WeakPolarHBondContact O-CA 3.33Å; C288-I392 PolarHBondContact O-N 3.33Å
289	I	98.2	Very high	95.2	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	160.7	174.8	65.4	175.8	0	0	0	110.2	V287 V296 L300 V348 L349 V350 V351 M362 L366 I392	V287-I289 HydrophobicContact CG1-CG2 4.26Å; I289-V296 HydrophobicContact CG2-CG1 3.79Å; I289-L300 HydrophobicContact CD1-CD1 3.99Å; I289-L300 HydrophobicContact CG2-CD1 4.11Å; I289-V348 HydrophobicContact CD1-CG1 3.81Å; I289-V348 HydrophobicContact CG1-CG1 3.98Å; I289-V348 HydrophobicContact CG2-CG1 4.46Å; I289-L349 PolarHBondContact N-O 3.24Å; I289-V350 HydrophobicContact CD1-CG1 4.42Å; I289-V350 HydrophobicContact CD1-CG2 4.06Å; I289-V350 HydrophobicContact CG1-CB 4.41Å; I289-V350 HydrophobicContact CG1-CG1 4.39Å; I289-V350 HydrophobicContact CG1-CG2 4.27Å; I289-V351 WeakPolarHBondContact O-CB 3.34Å; I289-V351 PolarHBondContact O-N 3.27Å; I289-M362 HydrophobicContact CD1-CE 4.09Å; I289-M362 HydrophobicContact CD1-CG 3.29Å; I289-M362 HydrophobicContact CD1-SD 3.89Å; I289-L366 HydrophobicContact CD1-CD1 4.05Å; I289-I392 HydrophobicContact CG2-CB 4.48Å; I289-I392 WeakPolarHBondContact CG2-O 3.38Å
290	F	97.9	Very high	95.5	Very high	22 Å²	22	28.3 Å²	28.3	10%	0.096	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.4	178	-179.3	-118.8	0	0	0	111.7	V351 S353 I378 L393 R407 M408 T410 V413	F290-V351 WeakPolarHBondContact CA-O 3.5Å; F290-V351 HydrophobicContact CD2-CB 4.08Å; F290-V351 HydrophobicContact CD2-CG1 3.97Å; F290-V351 WeakPolarHBondContact CD2-O 3.48Å; F290-V351 HydrophobicContact CE2-CG1 4.44Å; F290-S353 WeakPolarHBondContact CZ-OG 3.41Å; F290-I378 HydrophobicContact CE2-CD1 4.01Å; F290-I378 HydrophobicContact CZ-CD1 4.32Å; F290-L393 HydrophobicContact CB-CD2 3.88Å; F290-R407 HydrophobicContact CE1-CB 4.11Å; F290-M408 VanDerWaalsContact CE1-O 3.32Å; F290-M408 WeakPolarHBondContact CE1-O 3.48Å; F290-M408 WeakPolarHBondContact CZ-O 3.27Å; F290-T410 WeakPolarHBondContact CD1-OG1 3.36Å; F290-V413 HydrophobicContact CB-CB 4.41Å; F290-V413 HydrophobicContact CB-CG1 4.37Å; F290-V413 HydrophobicContact CB-CG2 4.06Å; F290-V413 HydrophobicContact CD2-CG2 3.59Å; F290-V413 HydrophobicContact CE2-CG2 4.18Å; F290-V413 HydrophobicContact CG-CG2 3.83Å
291	G	95.7	Very high	95.7	Very high	3 Å²	3	27.1 Å²	27.1	3%	0.031	14%	0.142	C	C	.	.	S	Bend	trans	60.8	-140.7	177.3	0	0	0	0	0	113.3	V351 M362	G291-V351 PolarHBondContact N-O 2.91Å; G291-M362 WeakPolarHBondContact O-CB 3.12Å
292	Y	96.4	Very high	95.6	Very high	54 Å²	54	31.8 Å²	31.8	21%	0.212	16%	0.159	C	C	.	.			trans	-119.7	130.9	176.7	-176.9	-100.7	0	0	0	112	E358 Q361 M362 R365	Y292-E358 WeakPolarHBondContact CB-O 3.39Å; Y292-Q361 HydrophobicContact CD2-CB 4.11Å; Y292-Q361 HydrophobicContact CD2-CG 3.92Å; Y292-Q361 HydrophobicContact CE2-CG 3.9Å; Y292-Q361 HydrophobicContact CG-CG 4.48Å; Y292-M362 HydrophobicContact CD2-CB 3.97Å; Y292-M362 HydrophobicContact CD2-CE 4.12Å; Y292-R365 PolarHBondContact OH-NH1 2.95Å
293	S	96.5	Very high	95.8	Very high	23 Å²	23	23.4 Å²	23.4	16%	0.161	13%	0.128	C	C	.	.			trans	-136.3	122.3	167.8	167.7	0	0	0	0	109	L295 V296 A297 M362	S293-L295 PolarHBondContact O-N 2.95Å; S293-V296 PolarHBondContact O-N 3.26Å; S293-V296 WeakPolarHBondContact OG-CG2 3.41Å; S293-V296 PolarHBondContact OG-N 2.96Å; S293-A297 WeakPolarHBondContact O-CB 3.17Å; S293-A297 PolarHBondContact O-N 3.29Å; S293-M362 WeakPolarHBondContact O-CE 3.32Å
294	S	95.5	Very high	95.9	Very high	28 Å²	28	22.5 Å²	22.5	20%	0.196	12%	0.118	C	C	.	.	H	α-helix	trans	-61.2	-34.8	179	56.5	0	0	0	0	112	R298	S294-R298 WeakPolarHBondContact O-CG 3.29Å; S294-R298 PolarHBondContact O-N 2.68Å
295	L	96.6	Very high	95.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-68.8	-48.1	176.5	-175.3	61.3	0	0	0	111.7	G270 I273 V274 S293 A297 R298 V299 C428	G270-L295 WeakPolarHBondContact O-CD1 3.45Å; I273-L295 HydrophobicContact CB-CD1 4.3Å; I273-L295 HydrophobicContact CB-CD2 4.48Å; I273-L295 HydrophobicContact CD1-CD2 4.04Å; I273-L295 HydrophobicContact CG2-CD1 4.23Å; I273-L295 HydrophobicContact CG2-CD2 3.93Å; I273-L295 HydrophobicContact CG2-CG 4.26Å; V274-L295 HydrophobicContact CG2-CD1 4.08Å; S293-L295 PolarHBondContact O-N 2.95Å; L295-A297 VanDerWaalsContact C-N 3.32Å; L295-A297 PolarHBondContact O-N 3.3Å; L295-R298 PolarHBondContact O-N 2.63Å; L295-R298 VanDerWaalsContact O-N 3.17Å; L295-V299 WeakPolarHBondContact O-CG2 3.4Å; L295-V299 PolarHBondContact O-N 2.64Å; L295-C428 HydrophobicContact CD2-CB 3.77Å; L295-C428 HydrophobicContact CG-CB 4.25Å
296	V	97.8	Very high	95.4	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.018	12%	0.121	C	C	.	.	H	α-helix	trans	-65.3	-37.4	179	177.6	0	0	0	0	111.1	I289 S293 R298 V299 L300 I392	I289-V296 HydrophobicContact CG2-CG1 3.79Å; S293-V296 PolarHBondContact O-N 3.26Å; S293-V296 WeakPolarHBondContact OG-CG2 3.41Å; S293-V296 PolarHBondContact OG-N 2.96Å; V296-R298 VanDerWaalsContact C-N 3.31Å; V296-R298 PolarHBondContact O-N 3.43Å; V296-V299 WeakPolarHBondContact O-CB 3.42Å; V296-V299 PolarHBondContact O-N 2.88Å; V296-L300 HydrophobicContact CG1-CD1 4.16Å; V296-L300 HydrophobicContact CG1-CG 4.38Å; V296-L300 WeakPolarHBondContact O-CG 3.43Å; V296-L300 PolarHBondContact O-N 2.55Å; V296-I392 HydrophobicContact CG1-CB 4.44Å; V296-I392 HydrophobicContact CG1-CG2 3.9Å; V296-I392 HydrophobicContact CG2-CG2 3.99Å
297	A	97.5	Very high	94.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.2	-44.8	173.7	0	0	0	0	0	111.6	S293 L295 V299 L300 E301 M362	S293-A297 WeakPolarHBondContact O-CB 3.17Å; S293-A297 PolarHBondContact O-N 3.29Å; L295-A297 VanDerWaalsContact C-N 3.32Å; L295-A297 PolarHBondContact O-N 3.3Å; A297-V299 PolarHBondContact O-N 3.34Å; A297-L300 PolarHBondContact O-N 2.91Å; A297-E301 WeakPolarHBondContact O-CB 3.34Å; A297-E301 VanDerWaalsContact O-CG 3.25Å; A297-E301 WeakPolarHBondContact O-CG 3.3Å; A297-E301 PolarHBondContact O-N 2.9Å; A297-M362 HydrophobicContact CB-CE 3.87Å; A297-M362 HydrophobicContact CB-SD 3.79Å
298	R	97.2	Very high	92.4	Very high	67 Å²	67	31.1 Å²	31.1	25%	0.253	15%	0.152	S	C	.	.	H	α-helix	trans	-63.8	-38.9	175.6	-70.9	-166	-60.3	166.1	3.8	112.6	G270 D271 V274 S294 L295 V296 R302	G270-R298 VanDerWaalsContact CA-NH2 3.3Å; D271-R298 IonicContact OD1-CZ 3.54Å; D271-R298 IonicContact OD1-NH1 3.92Å; D271-R298 PolarHBondContact OD1-NH1 3.48Å; D271-R298 IonicContact OD1-NH2 2.75Å; V274-R298 HydrophobicContact CG2-CB 3.69Å; S294-R298 WeakPolarHBondContact O-CG 3.29Å; S294-R298 PolarHBondContact O-N 2.68Å; L295-R298 PolarHBondContact O-N 2.63Å; L295-R298 VanDerWaalsContact O-N 3.17Å; V296-R298 VanDerWaalsContact C-N 3.31Å; V296-R298 PolarHBondContact O-N 3.43Å; R298-R302 VanDerWaalsContact O-CB 3.25Å; R298-R302 WeakPolarHBondContact O-CB 3.26Å; R298-R302 PolarHBondContact O-N 2.97Å
299	V	97.1	Very high	90.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-56.6	-52.5	174.9	170	0	0	0	0	110.2	V274 T277 I281 L295 V296 A297 R302 A303 I392	V274-V299 HydrophobicContact CB-CG2 4.49Å; V274-V299 HydrophobicContact CG2-CG2 3.97Å; T277-V299 HydrophobicContact CG2-CG1 3.52Å; T277-V299 HydrophobicContact CG2-CG2 4.2Å; I281-V299 HydrophobicContact CD1-CG1 3.95Å; L295-V299 WeakPolarHBondContact O-CG2 3.4Å; L295-V299 PolarHBondContact O-N 2.64Å; V296-V299 WeakPolarHBondContact O-CB 3.42Å; V296-V299 PolarHBondContact O-N 2.88Å; A297-V299 PolarHBondContact O-N 3.34Å; V299-R302 PolarHBondContact O-N 3.39Å; V299-A303 WeakPolarHBondContact O-CB 3.48Å; V299-A303 PolarHBondContact O-N 3.35Å; V299-I392 HydrophobicContact CG1-CD1 4.43Å
300	L	96.8	Very high	88.3	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.9	-42.8	-176.7	-61.9	173.2	0	0	0	111.7	I281 V287 I289 V296 A297 A303 W304 F346 V348 L366 I371	I281-L300 HydrophobicContact CD1-CD2 4.2Å; V287-L300 HydrophobicContact CB-CD2 4.45Å; V287-L300 HydrophobicContact CG1-CD2 4.03Å; I289-L300 HydrophobicContact CD1-CD1 3.99Å; I289-L300 HydrophobicContact CG2-CD1 4.11Å; V296-L300 HydrophobicContact CG1-CD1 4.16Å; V296-L300 HydrophobicContact CG1-CG 4.38Å; V296-L300 WeakPolarHBondContact O-CG 3.43Å; V296-L300 PolarHBondContact O-N 2.55Å; A297-L300 PolarHBondContact O-N 2.91Å; L300-A303 PolarHBondContact O-N 3.39Å; L300-W304 WeakPolarHBondContact O-CB 3.17Å; L300-W304 PolarHBondContact O-N 3.27Å; L300-F346 HydrophobicContact CD2-CE2 3.89Å; L300-F346 HydrophobicContact CD2-CZ 4.34Å; L300-V348 HydrophobicContact CD1-CG1 4.13Å; L300-V348 HydrophobicContact CD1-CG2 4.17Å; L300-V348 HydrophobicContact CD2-CG2 4.18Å; L300-L366 HydrophobicContact CB-CD2 3.8Å; L300-L366 HydrophobicContact CD1-CD1 3.96Å; L300-L366 HydrophobicContact CD1-CD2 3.83Å; L300-L366 HydrophobicContact CG-CD2 4.49Å; L300-I371 HydrophobicContact CB-CD1 4.33Å
301	E	95.1	Very high	85.4	Confident	38 Å²	38	45.6 Å²	45.6	18%	0.178	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-44.4	176	-73.8	171.3	162.4	0	0	112.2	A297 K305 R365 A369	A297-E301 WeakPolarHBondContact O-CB 3.34Å; A297-E301 VanDerWaalsContact O-CG 3.25Å; A297-E301 WeakPolarHBondContact O-CG 3.3Å; A297-E301 PolarHBondContact O-N 2.9Å; E301-K305 WeakPolarHBondContact O-CG 3.5Å; E301-K305 PolarHBondContact O-N 2.88Å; E301-R365 WeakPolarHBondContact OE1-CG 3.38Å; E301-R365 IonicContact OE1-CZ 3.24Å; E301-R365 IonicContact OE1-NE 2.62Å; E301-R365 PolarHBondContact OE1-NE 3.3Å; E301-R365 IonicContact OE1-NH2 3.03Å; E301-R365 IonicContact OE2-CZ 3.52Å; E301-R365 IonicContact OE2-NE 3.32Å; E301-R365 PolarHBondContact OE2-NE 3.46Å; E301-R365 IonicContact OE2-NH2 2.65Å; E301-R365 PolarHBondContact OE2-NH2 3.46Å; E301-A369 HydrophobicContact CG-CB 4.27Å
302	R	93.5	Very high	82.8	Confident	100 Å²	100	50.5 Å²	50.5	38%	0.377	27%	0.272	S	S	.	.	H	α-helix	trans	-68.1	-41.6	176.9	-178.9	65.5	65.9	80	-3.2	110.9	V274 D275 V278 R298 V299 W304 K305 S306	V274-R302 HydrophobicContact CG1-CB 3.57Å; V274-R302 HydrophobicContact CG1-CG 3.73Å; D275-R302 IonicContact OD1-CZ 3.21Å; D275-R302 IonicContact OD1-NH1 2.53Å; D275-R302 PolarHBondContact OD1-NH1 2.85Å; D275-R302 IonicContact OD2-NH1 2.74Å; V278-R302 HydrophobicContact CG2-CB 3.87Å; V278-R302 HydrophobicContact CG2-CG 3.73Å; R298-R302 VanDerWaalsContact O-CB 3.25Å; R298-R302 WeakPolarHBondContact O-CB 3.26Å; R298-R302 PolarHBondContact O-N 2.97Å; V299-R302 PolarHBondContact O-N 3.39Å; R302-W304 VanDerWaalsContact C-N 3.29Å; R302-W304 PolarHBondContact O-N 3.44Å; R302-K305 PolarHBondContact O-N 3.29Å; R302-S306 VanDerWaalsContact O-CB 3.31Å; R302-S306 WeakPolarHBondContact O-CB 3.41Å; R302-S306 PolarHBondContact O-N 3.24Å; R302-S306 PolarHBondContact O-OG 3.02Å
303	A	93.2	Very high	80.1	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.9	-36.8	179.6	0	0	0	0	0	112.3	V278 I281 V299 L300 F346	V278-A303 HydrophobicContact CG1-CB 4.3Å; V278-A303 HydrophobicContact CG2-CB 4.02Å; I281-A303 HydrophobicContact CD1-CB 3.81Å; V299-A303 WeakPolarHBondContact O-CB 3.48Å; V299-A303 PolarHBondContact O-N 3.35Å; L300-A303 PolarHBondContact O-N 3.39Å; A303-F346 HydrophobicContact CB-CE1 3.94Å; A303-F346 HydrophobicContact CB-CZ 4.09Å
304	W	92.4	Very high	77.3	Confident	33 Å²	33	61.9 Å²	61.9	13%	0.125	33%	0.329	C	S	.	.	H	α-helix	trans	-69.2	-38.8	176.6	-175.9	-112.1	0	0	0	113.1	L300 R302 T342 F346 A369 G370 I371 P372	L300-W304 WeakPolarHBondContact O-CB 3.17Å; L300-W304 PolarHBondContact O-N 3.27Å; R302-W304 VanDerWaalsContact C-N 3.29Å; R302-W304 PolarHBondContact O-N 3.44Å; W304-T342 WeakPolarHBondContact O-CG2 3.34Å; W304-F346 HydrophobicContact CB-CE1 4.25Å; W304-F346 HydrophobicContact CB-CZ 4.36Å; W304-F346 HydrophobicContact CE3-CD1 4.26Å; W304-F346 AromaticContact CE3-CE1 3.99Å; W304-F346 HydrophobicContact CE3-CE1 3.99Å; W304-F346 HydrophobicContact CE3-CZ 4.49Å; W304-A369 PolarHBondContact NE1-O 3.47Å; W304-G370 WeakPolarHBondContact CZ2-O 3.34Å; W304-I371 HydrophobicContact CB-CD1 3.88Å; W304-I371 HydrophobicContact CB-CG1 3.78Å; W304-I371 HydrophobicContact CD2-CG1 3.82Å; W304-I371 HydrophobicContact CE3-CG1 4.33Å; W304-I371 HydrophobicContact CG-CD1 4.19Å; W304-I371 HydrophobicContact CG-CG1 3.54Å; W304-P372 HydrophobicContact CH2-CG 4.09Å; W304-P372 HydrophobicContact CZ3-CG 4.44Å
305	K	89.6	Confident	74.7	Confident	143 Å²	143	66.4 Å²	66.4	62%	0.622	36%	0.355	S	S	*	.	H	α-helix	trans	-78.9	-26.7	180	-69.4	174.3	-178.1	179.1	0	113.5	E301 R302	E301-K305 WeakPolarHBondContact O-CG 3.5Å; E301-K305 PolarHBondContact O-N 2.88Å; R302-K305 PolarHBondContact O-N 3.29Å
306	S	83.7	Confident	72.3	Confident	27 Å²	27	70.7 Å²	70.7	19%	0.189	38%	0.378	C	S	.	.	S	Bend	trans	-78.1	139.5	-173.3	-58.5	0	0	0	0	111.5	R302	R302-S306 VanDerWaalsContact O-CB 3.31Å; R302-S306 WeakPolarHBondContact O-CB 3.41Å; R302-S306 PolarHBondContact O-N 3.24Å; R302-S306 PolarHBondContact O-OG 3.02Å
307	P	71.4	Confident	70.2	Confident	82 Å²	82	74.6 Å²	74.6	53%	0.532	41%	0.41	S	S	.	.			trans	-65.6	148.5	169.6	27.6	-32.2	0	0	0	110.3	N309	P307-N309 PolarHBondContact O-N 3.47Å
308	C	60.8	Low	67.9	Low	28 Å²	28	80.4 Å²	80.4	19%	0.189	44%	0.441	C	S	.	.			trans	-73.5	110.2	175.8	-163.7	0	0	0	0	109	T310 N343	C308-T310 PolarHBondContact O-N 3.33Å; C308-T310 VanDerWaalsContact O-N 3.1Å; C308-T310 PolarHBondContact SG-OG1 2.7Å; C308-N343 HydrophobicContact CB-CB 4.17Å
309	N	56.4	Low	65.8	Low	131 Å²	131	80.6 Å²	80.6	70%	0.701	45%	0.45	S	S	*	.			trans	-71.9	7.9	177.2	-80.1	-11.2	0	0	0	114.1	P307 S311	P307-N309 PolarHBondContact O-N 3.47Å; N309-S311 VanDerWaalsContact C-N 3.35Å; N309-S311 PolarHBondContact O-N 2.89Å
310	T	52.3	Low	63.7	Low	87 Å²	87	85.8 Å²	85.8	53%	0.534	48%	0.478	S	S	.	.			trans	-74.3	89.1	-177.8	-45.2	0	0	0	0	109.5	C308 V312	C308-T310 PolarHBondContact O-N 3.33Å; C308-T310 VanDerWaalsContact O-N 3.1Å; C308-T310 PolarHBondContact SG-OG1 2.7Å; T310-V312 HydrophobicContact CG2-CB 3.9Å; T310-V312 HydrophobicContact CG2-CG2 3.48Å; T310-V312 VanDerWaalsContact CG2-CG2 3.48Å; T310-V312 PolarHBondContact O-N 3Å
311	S	37.3	Very low	61.7	Low	110 Å²	110	92.2 Å²	92.2	77%	0.769	51%	0.506	S	S	*	.			trans	-73.1	55.9	161.6	76.2	0	0	0	0	109.8	N309 N313	N309-S311 VanDerWaalsContact C-N 3.35Å; N309-S311 PolarHBondContact O-N 2.89Å; S311-N313 PolarHBondContact O-N 3.2Å
312	V	42.4	Very low	59.6	Low	106 Å²	106	94.5 Å²	94.5	64%	0.642	52%	0.519	S	S	*	.			trans	-89.8	93.3	161.5	176.6	0	0	0	0	104.4	T310 Q314	T310-V312 HydrophobicContact CG2-CB 3.9Å; T310-V312 HydrophobicContact CG2-CG2 3.48Å; T310-V312 VanDerWaalsContact CG2-CG2 3.48Å; T310-V312 PolarHBondContact O-N 3Å; V312-Q314 PolarHBondContact O-N 2.64Å
313	N	38.6	Very low	57.7	Low	147 Å²	147	90.1 Å²	90.1	79%	0.786	50%	0.504	S	S	*	.			trans	-51.1	122.6	159	-72.8	-40	0	0	0	106.8	S311	S311-N313 PolarHBondContact O-N 3.2Å
314	Q	38	Very low	55.8	Low	169 Å²	169	92.9 Å²	92.9	79%	0.79	52%	0.523	S	S	*	.	S	Bend	trans	106.3	119.1	176.4	-62.6	-177.1	-19.4	0	0	115.8	V312	V312-Q314 PolarHBondContact O-N 2.64Å
315	V	40.7	Very low	53.8	Low	122 Å²	122	97.3 Å²	97.3	74%	0.739	54%	0.543	S	S	*	.			trans	70	131.2	155.4	-117.3	0	0	0	0	115.4
316	D	46.9	Very low	51.9	Low	92 Å²	92	94 Å²	94	49%	0.492	53%	0.531	S	S	.	.			cis	-154.4	135.8	42.2	-68.3	-62.4	0	0	0	113.1	N318 V319	D316-N318 HydrophobicContact CB-CB 4.23Å; D316-N318 PolarHBondContact O-N 2.93Å; D316-V319 HydrophobicContact CB-CG2 4.39Å; D316-V319 PolarHBondContact O-N 3.21Å
317	A	52.9	Low	50.1	Low	84 Å²	84	98 Å²	98	69%	0.694	55%	0.545	S	S	*	.	H	α-helix	trans	-55.8	-17.3	167.5	0	0	0	0	0	113.5	F321	A317-F321 PolarHBondContact O-N 3.23Å; A317-F321 VanDerWaalsContact O-N 3.16Å
318	N	49.9	Very low	48.7	Very low	122 Å²	122	98.3 Å²	98.3	65%	0.652	55%	0.546	S	S	*	.	H	α-helix	trans	-72.1	-30	176.5	-74.6	-20.9	0	0	0	113.6	D316 F321 L322	D316-N318 HydrophobicContact CB-CB 4.23Å; D316-N318 PolarHBondContact O-N 2.93Å; N318-F321 PolarHBondContact O-N 2.93Å; N318-L322 PolarHBondContact O-N 3.05Å
319	V	53.8	Low	47.8	Very low	71 Å²	71	102 Å²	102	43%	0.43	57%	0.57	S	S	.	*	H	α-helix	trans	-71.5	-40.6	177.3	179.1	0	0	0	0	109.9	D316 F321 L322 A323	D316-V319 HydrophobicContact CB-CG2 4.39Å; D316-V319 PolarHBondContact O-N 3.21Å; V319-F321 VanDerWaalsContact C-N 3.31Å; V319-F321 PolarHBondContact O-N 2.75Å; V319-L322 PolarHBondContact O-N 2.82Å; V319-A323 WeakPolarHBondContact O-CB 3.46Å; V319-A323 PolarHBondContact O-N 2.75Å
320	D	52.7	Low	47	Very low	110 Å²	110	101.7 Å²	101.7	59%	0.588	56%	0.563	S	S	*	*	H	α-helix	trans	-63.7	-37.3	173.6	-76.2	-21.2	0	0	0	111.7	S324	D320-S324 WeakPolarHBondContact O-CB 3.48Å; D320-S324 PolarHBondContact O-N 2.86Å
321	F	53.2	Low	46.2	Very low	135 Å²	135	102.8 Å²	102.8	59%	0.592	57%	0.569	S	S	*	*	H	α-helix	trans	-66.5	-42.9	174.6	-176.8	-99.7	0	0	0	112.7	A317 N318 V319 S324 K325	A317-F321 PolarHBondContact O-N 3.23Å; A317-F321 VanDerWaalsContact O-N 3.16Å; N318-F321 PolarHBondContact O-N 2.93Å; V319-F321 VanDerWaalsContact C-N 3.31Å; V319-F321 PolarHBondContact O-N 2.75Å; F321-S324 WeakPolarHBondContact O-CB 3.29Å; F321-S324 PolarHBondContact O-N 2.83Å; F321-K325 WeakPolarHBondContact O-CB 3.41Å; F321-K325 PolarHBondContact O-N 3.05Å
322	L	51.5	Low	46.1	Very low	85 Å²	85	104.8 Å²	104.8	45%	0.445	57%	0.571	S	S	.	*	H	α-helix	trans	-68.6	-41.3	176.8	-157.3	89.7	0	0	0	111.2	N318 V319 S324 K325 M326	N318-L322 PolarHBondContact O-N 3.05Å; V319-L322 PolarHBondContact O-N 2.82Å; L322-S324 VanDerWaalsContact C-N 3.32Å; L322-K325 PolarHBondContact O-N 3.43Å; L322-M326 WeakPolarHBondContact O-CB 3.15Å; L322-M326 WeakPolarHBondContact O-CG 3.41Å; L322-M326 PolarHBondContact O-N 2.93Å
323	A	54.4	Low	45.8	Very low	9 Å²	9	104.4 Å²	104.4	7%	0.074	57%	0.57	C	S	.	*	H	α-helix	trans	-60.8	-43.2	173.8	0	0	0	0	0	110.9	V319 K327 V345	V319-A323 WeakPolarHBondContact O-CB 3.46Å; V319-A323 PolarHBondContact O-N 2.75Å; A323-K327 WeakPolarHBondContact O-CB 3.45Å; A323-K327 WeakPolarHBondContact O-CD 3.39Å; A323-K327 WeakPolarHBondContact O-CG 3.42Å; A323-K327 PolarHBondContact O-N 2.89Å; A323-V345 HydrophobicContact CB-CG2 3.75Å
324	S	52.2	Low	45.8	Very low	58 Å²	58	107.6 Å²	107.6	41%	0.406	58%	0.576	S	S	.	*	H	α-helix	trans	-58.5	-52.7	171.9	161.2	0	0	0	0	111	D320 F321 L322 M326 K327 T328	D320-S324 WeakPolarHBondContact O-CB 3.48Å; D320-S324 PolarHBondContact O-N 2.86Å; F321-S324 WeakPolarHBondContact O-CB 3.29Å; F321-S324 PolarHBondContact O-N 2.83Å; L322-S324 VanDerWaalsContact C-N 3.32Å; S324-M326 PolarHBondContact O-N 3.3Å; S324-K327 CarbonylContact O-C 3.52Å; S324-K327 WeakPolarHBondContact O-CA 3.28Å; S324-K327 WeakPolarHBondContact O-CB 3.29Å; S324-K327 PolarHBondContact O-N 2.91Å; S324-K327 VanDerWaalsContact O-N 3.12Å; S324-T328 WeakPolarHBondContact O-CG2 3.36Å; S324-T328 PolarHBondContact O-N 3.43Å; S324-T328 PolarHBondContact O-OG1 2.76Å
325	K	50.7	Low	45.8	Very low	125 Å²	125	104.8 Å²	104.8	54%	0.543	58%	0.575	S	S	.	*	H	α-helix	trans	-60.9	-45.2	-178.8	-168.3	174.2	-178	179	0	112	F321 L322 T328 C329	F321-K325 WeakPolarHBondContact O-CB 3.41Å; F321-K325 PolarHBondContact O-N 3.05Å; L322-K325 PolarHBondContact O-N 3.43Å; K325-T328 WeakPolarHBondContact CA-OG1 3.32Å; K325-T328 PolarHBondContact O-N 2.62Å; K325-T328 PolarHBondContact O-OG1 3.29Å; K325-C329 PolarHBondContact O-N 3.02Å; K325-C329 VanDerWaalsContact O-N 3.17Å; K325-C329 PolarHBondContact O-SG 3.46Å
326	M	50	Low	46	Very low	74 Å²	74	104.3 Å²	104.3	37%	0.365	57%	0.569	S	S	.	*	H	α-helix	trans	-65.6	-36.5	175.1	-75.9	-173.7	156.5	0	0	112.3	L322 S324 V345	L322-M326 WeakPolarHBondContact O-CB 3.15Å; L322-M326 WeakPolarHBondContact O-CG 3.41Å; L322-M326 PolarHBondContact O-N 2.93Å; S324-M326 PolarHBondContact O-N 3.3Å; M326-V345 HydrophobicContact CB-CG1 4.45Å; M326-V345 HydrophobicContact SD-CG1 3.51Å; M326-V345 VanDerWaalsContact SD-CG1 3.51Å
327	K	47.2	Very low	45.8	Very low	110 Å²	110	104.9 Å²	104.9	48%	0.478	58%	0.578	S	S	.	*	H	α-helix	trans	-66.9	-39.1	172.1	-76.7	170	-177	177.1	0	112	A323 S324 C329 F330	A323-K327 WeakPolarHBondContact O-CB 3.45Å; A323-K327 WeakPolarHBondContact O-CD 3.39Å; A323-K327 WeakPolarHBondContact O-CG 3.42Å; A323-K327 PolarHBondContact O-N 2.89Å; S324-K327 CarbonylContact O-C 3.52Å; S324-K327 WeakPolarHBondContact O-CA 3.28Å; S324-K327 WeakPolarHBondContact O-CB 3.29Å; S324-K327 PolarHBondContact O-N 2.91Å; S324-K327 VanDerWaalsContact O-N 3.12Å; K327-C329 VanDerWaalsContact C-N 3.33Å; K327-C329 PolarHBondContact O-N 3.29Å; K327-F330 VanDerWaalsContact O-CB 3.27Å; K327-F330 WeakPolarHBondContact O-CB 3.38Å; K327-F330 PolarHBondContact O-N 3.06Å
328	T	40.5	Very low	45.4	Very low	90 Å²	90	105.5 Å²	105.5	55%	0.552	58%	0.577	S	S	*	*	H	α-helix	trans	-71.9	-23.1	-179.1	54.9	0	0	0	0	113.8	S324 K325 F330 V331	S324-T328 WeakPolarHBondContact O-CG2 3.36Å; S324-T328 PolarHBondContact O-N 3.43Å; S324-T328 PolarHBondContact O-OG1 2.76Å; K325-T328 WeakPolarHBondContact CA-OG1 3.32Å; K325-T328 PolarHBondContact O-N 2.62Å; K325-T328 PolarHBondContact O-OG1 3.29Å; T328-F330 PolarHBondContact O-N 2.95Å; T328-V331 WeakPolarHBondContact O-CG2 3.33Å
329	C	41.8	Very low	45.2	Very low	104 Å²	104	104.6 Å²	104.6	70%	0.703	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-10.8	169.5	-63.7	0	0	0	0	112.5	K325 K327 V331	K325-C329 PolarHBondContact O-N 3.02Å; K325-C329 VanDerWaalsContact O-N 3.17Å; K325-C329 PolarHBondContact O-SG 3.46Å; K327-C329 VanDerWaalsContact C-N 3.33Å; K327-C329 PolarHBondContact O-N 3.29Å; C329-V331 PolarHBondContact O-N 3.47Å
330	F	40.2	Very low	44.6	Very low	126 Å²	126	109.5 Å²	109.5	55%	0.553	59%	0.587	S	S	*	*			trans	-94.5	71.2	176.6	-129.2	-91.1	0	0	0	110.3	K327 T328	K327-F330 VanDerWaalsContact O-CB 3.27Å; K327-F330 WeakPolarHBondContact O-CB 3.38Å; K327-F330 PolarHBondContact O-N 3.06Å; T328-F330 PolarHBondContact O-N 2.95Å
331	V	35.8	Very low	44.4	Very low	109 Å²	109	111.1 Å²	111.1	66%	0.661	60%	0.596	S	S	*	*			trans	-82.1	122.5	174.5	172.7	0	0	0	0	109.2	T328 C329	T328-V331 WeakPolarHBondContact O-CG2 3.33Å; C329-V331 PolarHBondContact O-N 3.47Å
332	N	33.8	Very low	44.4	Very low	152 Å²	152	105.5 Å²	105.5	81%	0.813	57%	0.573	S	S	*	*			trans	82.3	31.9	158.3	-61.2	-15.5	0	0	0	121.3
333	T	37.4	Very low	44.8	Very low	99 Å²	99	106.2 Å²	106.2	61%	0.607	58%	0.577	S	S	*	*	S	Bend	trans	-97.7	123.6	149.8	53.3	0	0	0	0	108.7	S335	T333-S335 PolarHBondContact O-N 3.31Å
334	K	37.7	Very low	45.8	Very low	213 Å²	213	106.2 Å²	106.2	93%	0.926	58%	0.575	S	S	*	*			trans	-43.5	108.6	177.1	-72.8	-179.1	177.2	179.2	0	108.5	D336	K334-D336 PolarHBondContact O-N 3.27Å
335	S	39.3	Very low	47.4	Very low	110 Å²	110	104.1 Å²	104.1	77%	0.769	56%	0.56	S	S	*	*			trans	-65.6	107.6	-177.8	41.8	0	0	0	0	107.9	T333 P337	T333-S335 PolarHBondContact O-N 3.31Å; S335-P337 VanDerWaalsContact O-CD 3.3Å; S335-P337 WeakPolarHBondContact O-CD 3.34Å
336	D	43.1	Very low	49.5	Very low	112 Å²	112	98.2 Å²	98.2	60%	0.599	53%	0.534	S	S	*	.			trans	-58.9	116.5	165.5	-157	-21.6	0	0	0	106.6	K334 S338 N339	K334-D336 PolarHBondContact O-N 3.27Å; D336-S338 PolarHBondContact O-N 3.38Å; D336-S338 PolarHBondContact OD1-OG 3.31Å; D336-N339 PolarHBondContact O-N 3.47Å; D336-N339 VanDerWaalsContact O-N 3.15Å
337	P	42.7	Very low	51.7	Low	105 Å²	105	95.9 Å²	95.9	68%	0.682	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-7.1	-171.4	22	-32.2	0	0	0	113.8	S335	S335-P337 VanDerWaalsContact O-CD 3.3Å; S335-P337 WeakPolarHBondContact O-CD 3.34Å
338	S	46.3	Very low	54.1	Low	97 Å²	97	90.7 Å²	90.7	68%	0.678	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-19.7	175.3	59.1	0	0	0	0	114.7	D336 K340	D336-S338 PolarHBondContact O-N 3.38Å; D336-S338 PolarHBondContact OD1-OG 3.31Å; S338-K340 PolarHBondContact O-N 3.15Å
339	N	45.4	Very low	56.8	Low	102 Å²	102	86.4 Å²	86.4	55%	0.545	48%	0.476	S	S	.	.			trans	-96.4	27.5	-169	-153.1	13.2	0	0	0	115	D336 N341	D336-N339 PolarHBondContact O-N 3.47Å; D336-N339 VanDerWaalsContact O-N 3.15Å; N339-N341 PolarHBondContact O-N 3.02Å
340	K	40.9	Very low	59.5	Low	174 Å²	174	81.5 Å²	81.5	76%	0.757	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-2.3	-167	-97.8	-177	176.8	180	0	117.1	S338	S338-K340 PolarHBondContact O-N 3.15Å
341	N	48.5	Very low	62.3	Low	144 Å²	144	75.5 Å²	75.5	77%	0.77	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.1	34.8	-169.4	-98.3	9.2	0	0	0	115.7	N339 N343	N339-N341 PolarHBondContact O-N 3.02Å; N341-N343 PolarHBondContact O-N 3.33Å
342	T	53.4	Low	65.2	Low	17 Å²	17	70.3 Å²	70.3	10%	0.104	39%	0.385	C	S	.	.			trans	-77.3	104.9	170.1	56.7	0	0	0	0	110	W304	W304-T342 WeakPolarHBondContact O-CG2 3.34Å
343	N	59.9	Low	68.1	Low	100 Å²	100	64.2 Å²	64.2	54%	0.535	36%	0.355	S	S	.	.			trans	-91.3	-12.9	-176.4	-124.1	26.3	0	0	0	113.6	C308 N341 V345	C308-N343 HydrophobicContact CB-CB 4.17Å; N341-N343 PolarHBondContact O-N 3.33Å; N343-V345 PolarHBondContact O-N 2.7Å
344	R	74.1	Confident	70.7	Confident	10 Å²	10	64.4 Å²	64.4	4%	0.038	34%	0.344	C	S	.	.			trans	-98.1	91.7	-179.9	-167	176.2	-70.3	163.6	-8	110.8	V278 I281 P283 F346	V278-R344 PolarHBondContact O-NH1 3.33Å; I281-R344 WeakPolarHBondContact O-CD 3.16Å; I281-R344 PolarHBondContact O-NE 2.82Å; P283-R344 HydrophobicContact CG-CG 4.4Å; R344-F346 HydrophobicContact CG-CD1 4.19Å
345	V	86.3	Confident	73.2	Confident	13 Å²	13	55 Å²	55	8%	0.079	31%	0.305	C	S	.	.			trans	-90	120	176.4	-175.1	0	0	0	0	108.9	P283 G284 A323 M326 N343	P283-V345 CarbonylContact C-O 3.53Å; P283-V345 WeakPolarHBondContact CA-O 3.42Å; G284-V345 PolarHBondContact N-O 2.95Å; A323-V345 HydrophobicContact CB-CG2 3.75Å; M326-V345 HydrophobicContact CB-CG1 4.45Å; M326-V345 HydrophobicContact SD-CG1 3.51Å; M326-V345 VanDerWaalsContact SD-CG1 3.51Å; N343-V345 PolarHBondContact O-N 2.7Å
346	F	94.7	Very high	75.7	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.009	27%	0.273	C	S	.	.			trans	-144.1	165.9	172.7	66.4	-87	0	0	0	108.9	I281 E285 V287 L300 A303 W304 R344 V348 I371	I281-F346 HydrophobicContact CG2-CB 4.35Å; I281-F346 HydrophobicContact CG2-CD1 4.08Å; I281-F346 HydrophobicContact CG2-CD2 4.37Å; I281-F346 HydrophobicContact CG2-CE1 4.48Å; I281-F346 HydrophobicContact CG2-CG 4.01Å; E285-F346 WeakPolarHBondContact O-CA 3.29Å; E285-F346 WeakPolarHBondContact O-CB 2.97Å; V287-F346 HydrophobicContact CG2-CD2 3.98Å; L300-F346 HydrophobicContact CD2-CE2 3.89Å; L300-F346 HydrophobicContact CD2-CZ 4.34Å; A303-F346 HydrophobicContact CB-CE1 3.94Å; A303-F346 HydrophobicContact CB-CZ 4.09Å; W304-F346 HydrophobicContact CB-CE1 4.25Å; W304-F346 HydrophobicContact CB-CZ 4.36Å; W304-F346 HydrophobicContact CE3-CD1 4.26Å; W304-F346 AromaticContact CE3-CE1 3.99Å; W304-F346 HydrophobicContact CE3-CE1 3.99Å; W304-F346 HydrophobicContact CE3-CZ 4.49Å; R344-F346 HydrophobicContact CG-CD1 4.19Å; F346-V348 HydrophobicContact CD2-CG2 4.04Å; F346-V348 HydrophobicContact CE2-CG2 3.63Å; F346-I371 HydrophobicContact CE2-CG2 4.22Å
347	S	96.1	Very high	78	Confident	24 Å²	24	46.2 Å²	46.2	17%	0.168	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	157.3	174.5	68	0	0	0	0	111	E285 C286 V287 P372	E285-S347 PolarHBondContact O-N 2.94Å; C286-S347 WeakPolarHBondContact CA-O 3.43Å; C286-S347 PolarHBondContact SG-OG 3.22Å; V287-S347 PolarHBondContact N-O 3Å; S347-P372 WeakPolarHBondContact CA-O 3.4Å
348	V	98.1	Very high	80.4	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.6	179.2	-177.1	0	0	0	0	110.2	V287 I289 L300 F346 V350 L366 I371 P372 C373 E374	V287-V348 CarbonylContact O-C 3.57Å; V287-V348 VanDerWaalsContact O-CA 3.28Å; V287-V348 WeakPolarHBondContact O-CA 3.36Å; I289-V348 HydrophobicContact CD1-CG1 3.81Å; I289-V348 HydrophobicContact CG1-CG1 3.98Å; I289-V348 HydrophobicContact CG2-CG1 4.46Å; L300-V348 HydrophobicContact CD1-CG1 4.13Å; L300-V348 HydrophobicContact CD1-CG2 4.17Å; L300-V348 HydrophobicContact CD2-CG2 4.18Å; F346-V348 HydrophobicContact CD2-CG2 4.04Å; F346-V348 HydrophobicContact CE2-CG2 3.63Å; V348-V350 HydrophobicContact CG1-CG2 4.03Å; V348-L366 HydrophobicContact CB-CD1 4.27Å; V348-L366 HydrophobicContact CG1-CD1 3.81Å; V348-L366 HydrophobicContact CG2-CD1 4.45Å; V348-I371 HydrophobicContact CG2-CG2 3.72Å; V348-P372 PolarHBondContact N-O 3.18Å; V348-C373 CarbonylContact O-C 3.56Å; V348-C373 VanDerWaalsContact O-CA 3.28Å; V348-C373 WeakPolarHBondContact O-CA 3.43Å; V348-E374 PolarHBondContact O-N 2.94Å
349	L	98.3	Very high	82.8	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	108.7	166.9	-179.3	66.1	0	0	0	108.9	V287 C288 I289 V351 E374 T376 L381 V384 I388	V287-L349 PolarHBondContact O-N 3.47Å; C288-L349 WeakPolarHBondContact CA-O 3.25Å; I289-L349 PolarHBondContact N-O 3.24Å; L349-V351 HydrophobicContact CD2-CG2 4.49Å; L349-V351 HydrophobicContact CG-CG2 4.36Å; L349-E374 HydrophobicContact CD1-CB 3.89Å; L349-T376 HydrophobicContact CD1-CG2 3.88Å; L349-T376 HydrophobicContact CD2-CG2 4.49Å; L349-T376 HydrophobicContact CG-CG2 4.27Å; L349-L381 HydrophobicContact CD2-CD1 4.05Å; L349-V384 HydrophobicContact CD1-CG2 4.47Å; L349-V384 HydrophobicContact CD2-CG2 4.03Å; L349-I388 HydrophobicContact CD2-CD1 3.83Å; L349-I388 HydrophobicContact CD2-CG1 3.81Å
350	V	98.4	Very high	85.1	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	109.2	176.6	-171.6	0	0	0	0	108.9	I289 V348 M362 L363 L366 E374 Y375 T376	I289-V350 HydrophobicContact CD1-CG1 4.42Å; I289-V350 HydrophobicContact CD1-CG2 4.06Å; I289-V350 HydrophobicContact CG1-CB 4.41Å; I289-V350 HydrophobicContact CG1-CG1 4.39Å; I289-V350 HydrophobicContact CG1-CG2 4.27Å; V348-V350 HydrophobicContact CG1-CG2 4.03Å; V350-M362 HydrophobicContact CG1-CB 4.35Å; V350-M362 HydrophobicContact CG1-CG 4.36Å; V350-L363 HydrophobicContact CG2-CD1 4.31Å; V350-L366 HydrophobicContact CG2-CD1 4.1Å; V350-E374 PolarHBondContact N-O 3.11Å; V350-Y375 HydrophobicContact CB-CD2 4.21Å; V350-Y375 HydrophobicContact CG1-CD2 4.13Å; V350-Y375 WeakPolarHBondContact O-CA 3.37Å; V350-T376 PolarHBondContact O-N 3.04Å
351	V	98.1	Very high	87.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	130.9	173.5	-172.9	0	0	0	0	109.3	C288 I289 F290 G291 L349 T376 I378 L381 V413	C288-V351 VanDerWaalsContact SG-CG2 3.57Å; I289-V351 WeakPolarHBondContact O-CB 3.34Å; I289-V351 PolarHBondContact O-N 3.27Å; F290-V351 WeakPolarHBondContact CA-O 3.5Å; F290-V351 HydrophobicContact CD2-CB 4.08Å; F290-V351 HydrophobicContact CD2-CG1 3.97Å; F290-V351 WeakPolarHBondContact CD2-O 3.48Å; F290-V351 HydrophobicContact CE2-CG1 4.44Å; G291-V351 PolarHBondContact N-O 2.91Å; L349-V351 HydrophobicContact CD2-CG2 4.49Å; L349-V351 HydrophobicContact CG-CG2 4.36Å; V351-T376 WeakPolarHBondContact CA-O 3.34Å; V351-T376 HydrophobicContact CB-CG2 4.49Å; V351-T376 HydrophobicContact CG1-CG2 4.49Å; V351-T376 HydrophobicContact CG2-CG2 3.98Å; V351-I378 HydrophobicContact CG1-CB 4Å; V351-I378 HydrophobicContact CG1-CG1 4.25Å; V351-L381 HydrophobicContact CG1-CD2 4.32Å; V351-L381 HydrophobicContact CG2-CD1 3.71Å; V351-L381 HydrophobicContact CG2-CD2 4.3Å; V351-V413 HydrophobicContact CB-CG2 4.34Å; V351-V413 HydrophobicContact CG1-CG2 3.88Å
352	D	96	Very high	90.1	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	159	-178.9	-153.2	0.3	0	0	0	112.5	F357 E358 G359 R360 Y375 T376 H377 I378	D352-F357 VanDerWaalsContact OD1-C 3.23Å; D352-F357 VanDerWaalsContact OD1-CA 3.25Å; D352-F357 WeakPolarHBondContact OD1-CA 3.49Å; D352-F357 VanDerWaalsContact OD2-CA 3.22Å; D352-F357 WeakPolarHBondContact OD2-CA 3.15Å; D352-E358 PolarHBondContact OD1-N 3.45Å; D352-E358 VanDerWaalsContact OD1-N 3.17Å; D352-G359 PolarHBondContact OD1-N 2.79Å; D352-G359 VanDerWaalsContact OD2-CA 3.25Å; D352-G359 WeakPolarHBondContact OD2-CA 3.41Å; D352-G359 PolarHBondContact OD2-N 2.68Å; D352-R360 PolarHBondContact OD2-N 2.84Å; D352-Y375 HydrophobicContact CB-CE2 3.52Å; D352-Y375 WeakPolarHBondContact CB-OH 3.32Å; D352-Y375 PolarHBondContact OD2-OH 3.28Å; D352-T376 PolarHBondContact N-O 2.81Å; D352-H377 CarbonylContact O-C 3.12Å; D352-H377 WeakPolarHBondContact O-CA 3.47Å; D352-I378 PolarHBondContact O-N 3.39Å
353	S	94.7	Very high	92.2	Very high	24 Å²	24	26.4 Å²	26.4	17%	0.168	13%	0.126	C	C	.	.			trans	-143.7	156.5	-179.4	68.5	0	0	0	0	112.9	F290 F357	F290-S353 WeakPolarHBondContact CZ-OG 3.41Å; S353-F357 WeakPolarHBondContact O-CA 3.33Å; S353-F357 PolarHBondContact O-N 3.27Å; S353-F357 VanDerWaalsContact O-N 3.07Å
354	R	92.5	Very high	93.9	Very high	102 Å²	102	25.1 Å²	25.1	39%	0.385	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	157.5	168.7	-84.3	179.4	44.1	-164.5	-14.5	111.8	F357 I454 P474	R354-F357 HydrophobicContact CB-CZ 4.48Å; R354-F357 HydrophobicContact CG-CD2 4.47Å; R354-F357 HydrophobicContact CG-CE1 3.77Å; R354-F357 HydrophobicContact CG-CE2 3.59Å; R354-F357 HydrophobicContact CG-CZ 3.18Å; R354-I454 PolarHBondContact NH2-O 2.78Å; R354-P474 PolarHBondContact NH1-O 3.37Å
355	P	90.7	Very high	95	Very high	15 Å²	15	27.7 Å²	27.7	10%	0.097	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89.3	-16.5	-0.9	32.8	-32.2	0	0	0	114.3	D453 P458	P355-D453 HydrophobicContact CB-CB 4.11Å; P355-D453 WeakPolarHBondContact CB-O 3.41Å; P355-D453 HydrophobicContact CG-CB 3.84Å; P355-P458 WeakPolarHBondContact O-CD 3.47Å
356	K	90.7	Very high	95.5	Very high	23 Å²	23	27.1 Å²	27.1	10%	0.1	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-18.4	-168.6	-68.2	179	-173.9	171.8	0	115.2	D159 E358 P458 F472 E503	D159-K356 IonicContact OD2-NZ 3Å; D159-K356 PolarHBondContact OD2-NZ 3.19Å; K356-E358 HydrophobicContact CB-CG 3.86Å; K356-E358 PolarHBondContact O-N 2.99Å; K356-P458 HydrophobicContact CB-CG 4.49Å; K356-P458 HydrophobicContact CG-CG 3.94Å; K356-F472 WeakPolarHBondContact O-CD1 3.46Å; K356-F472 WeakPolarHBondContact O-CE1 3.49Å; K356-E503 IonicContact NZ-OE1 3.89Å; K356-E503 PolarHBondContact NZ-OE1 3.47Å; K356-E503 IonicContact NZ-OE2 3.8Å; K356-E503 PolarHBondContact NZ-OE2 2.9Å
357	F	92.8	Very high	95.6	Very high	16 Å²	16	31.6 Å²	31.6	7%	0.07	15%	0.152	C	C	.	.			trans	45.8	46.4	-178.2	-64	-70.7	0	0	0	113.4	D352 S353 R354 G359 R360 F472	D352-F357 VanDerWaalsContact OD1-C 3.23Å; D352-F357 VanDerWaalsContact OD1-CA 3.25Å; D352-F357 WeakPolarHBondContact OD1-CA 3.49Å; D352-F357 VanDerWaalsContact OD2-CA 3.22Å; D352-F357 WeakPolarHBondContact OD2-CA 3.15Å; S353-F357 WeakPolarHBondContact O-CA 3.33Å; S353-F357 PolarHBondContact O-N 3.27Å; S353-F357 VanDerWaalsContact O-N 3.07Å; R354-F357 HydrophobicContact CB-CZ 4.48Å; R354-F357 HydrophobicContact CG-CD2 4.47Å; R354-F357 HydrophobicContact CG-CE1 3.77Å; R354-F357 HydrophobicContact CG-CE2 3.59Å; R354-F357 HydrophobicContact CG-CZ 3.18Å; F357-G359 PolarHBondContact O-N 3.41Å; F357-R360 HydrophobicContact CB-CG 4.09Å; F357-R360 WeakPolarHBondContact O-CB 3.45Å; F357-R360 PolarHBondContact O-N 2.93Å; F357-F472 HydrophobicContact CB-CD1 4.09Å; F357-F472 HydrophobicContact CB-CE1 4.01Å; F357-F472 HydrophobicContact CD2-CB 4.47Å; F357-F472 AromaticContact CD2-CD1 3.86Å; F357-F472 HydrophobicContact CD2-CD1 3.86Å; F357-F472 HydrophobicContact CD2-CG 4.47Å; F357-F472 HydrophobicContact CG-CD1 4.49Å
358	E	93.2	Very high	95.6	Very high	27 Å²	27	39 Å²	39	13%	0.126	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.6	-176.5	-63.3	-175.9	149.1	0	0	111.2	Y292 D352 K356 R360 Q361 M362 R407	Y292-E358 WeakPolarHBondContact CB-O 3.39Å; D352-E358 PolarHBondContact OD1-N 3.45Å; D352-E358 VanDerWaalsContact OD1-N 3.17Å; K356-E358 HydrophobicContact CB-CG 3.86Å; K356-E358 PolarHBondContact O-N 2.99Å; E358-R360 PolarHBondContact O-N 2.91Å; E358-Q361 WeakPolarHBondContact O-CB 3.47Å; E358-Q361 PolarHBondContact O-N 3.42Å; E358-Q361 VanDerWaalsContact O-N 3.11Å; E358-M362 PolarHBondContact O-N 3.28Å; E358-R407 IonicContact OE1-CZ 3.58Å; E358-R407 VanDerWaalsContact OE1-CZ 3.3Å; E358-R407 IonicContact OE1-NE 2.77Å; E358-R407 PolarHBondContact OE1-NE 3.3Å; E358-R407 IonicContact OE1-NH2 3.62Å; E358-R407 PolarHBondContact OE1-NH2 2.96Å; E358-R407 IonicContact OE2-NE 3.3Å; E358-R407 PolarHBondContact OE2-NE 3.42Å
359	G	95.9	Very high	95.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.4	-26.1	177.1	0	0	0	0	0	114.1	D352 F357 Q361 M362 L363	D352-G359 PolarHBondContact OD1-N 2.79Å; D352-G359 VanDerWaalsContact OD2-CA 3.25Å; D352-G359 WeakPolarHBondContact OD2-CA 3.41Å; D352-G359 PolarHBondContact OD2-N 2.68Å; F357-G359 PolarHBondContact O-N 3.41Å; G359-Q361 VanDerWaalsContact C-N 3.28Å; G359-Q361 PolarHBondContact O-N 2.89Å; G359-M362 WeakPolarHBondContact O-CB 3.29Å; G359-M362 PolarHBondContact O-N 2.79Å; G359-L363 WeakPolarHBondContact O-CB 3.39Å; G359-L363 PolarHBondContact O-N 2.79Å
360	R	94.5	Very high	95	Very high	75 Å²	75	41.3 Å²	41.3	28%	0.283	20%	0.203	S	C	.	.	H	α-helix	trans	-60.4	-38.1	172.9	-66.2	178.3	179.5	-176.1	-4.5	112.6	D352 F357 E358 T364 Y375 G471 G476	D352-R360 PolarHBondContact OD2-N 2.84Å; F357-R360 HydrophobicContact CB-CG 4.09Å; F357-R360 WeakPolarHBondContact O-CB 3.45Å; F357-R360 PolarHBondContact O-N 2.93Å; E358-R360 PolarHBondContact O-N 2.91Å; R360-T364 PolarHBondContact O-N 3.16Å; R360-T364 PolarHBondContact O-OG1 3.27Å; R360-Y375 HydrophobicContact CG-CE2 4.2Å; R360-G471 PolarHBondContact NH1-O 3.03Å; R360-G471 PolarHBondContact NH2-O 3.4Å; R360-G476 PolarHBondContact NH2-O 2.94Å
361	Q	95.3	Very high	94.8	Very high	82 Å²	82	41.4 Å²	41.4	38%	0.383	20%	0.203	S	C	.	.	H	α-helix	trans	-66.5	-43.1	176.3	-175.4	179.5	5.1	0	0	110.6	Y292 E358 G359 T364 R365	Y292-Q361 HydrophobicContact CD2-CB 4.11Å; Y292-Q361 HydrophobicContact CD2-CG 3.92Å; Y292-Q361 HydrophobicContact CE2-CG 3.9Å; Y292-Q361 HydrophobicContact CG-CG 4.48Å; E358-Q361 WeakPolarHBondContact O-CB 3.47Å; E358-Q361 PolarHBondContact O-N 3.42Å; E358-Q361 VanDerWaalsContact O-N 3.11Å; G359-Q361 VanDerWaalsContact C-N 3.28Å; G359-Q361 PolarHBondContact O-N 2.89Å; Q361-T364 PolarHBondContact O-N 3.39Å; Q361-R365 WeakPolarHBondContact O-CB 3.42Å; Q361-R365 PolarHBondContact O-N 3.48Å; Q361-R365 VanDerWaalsContact O-N 3.07Å
362	M	97.3	Very high	94.7	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-60.5	-49.4	175.5	-178.7	61.2	81	0	0	111.2	I289 G291 Y292 S293 A297 V350 E358 G359 T364 R365 L366	I289-M362 HydrophobicContact CD1-CE 4.09Å; I289-M362 HydrophobicContact CD1-CG 3.29Å; I289-M362 HydrophobicContact CD1-SD 3.89Å; G291-M362 WeakPolarHBondContact O-CB 3.12Å; Y292-M362 HydrophobicContact CD2-CB 3.97Å; Y292-M362 HydrophobicContact CD2-CE 4.12Å; S293-M362 WeakPolarHBondContact O-CE 3.32Å; A297-M362 HydrophobicContact CB-CE 3.87Å; A297-M362 HydrophobicContact CB-SD 3.79Å; V350-M362 HydrophobicContact CG1-CB 4.35Å; V350-M362 HydrophobicContact CG1-CG 4.36Å; E358-M362 PolarHBondContact O-N 3.28Å; G359-M362 WeakPolarHBondContact O-CB 3.29Å; G359-M362 PolarHBondContact O-N 2.79Å; M362-T364 VanDerWaalsContact C-N 3.34Å; M362-T364 PolarHBondContact O-N 2.89Å; M362-R365 WeakPolarHBondContact O-CB 3.46Å; M362-R365 PolarHBondContact O-N 3.34Å; M362-R365 VanDerWaalsContact O-N 3.09Å; M362-L366 HydrophobicContact CG-CD1 3.9Å; M362-L366 HydrophobicContact CG-CG 4.31Å; M362-L366 WeakPolarHBondContact O-CG 3.46Å; M362-L366 PolarHBondContact O-N 2.99Å; M362-L366 HydrophobicContact SD-CD1 4.02Å; M362-L366 HydrophobicContact SD-CD2 4.28Å; M362-L366 HydrophobicContact SD-CG 4.01Å
363	L	97.5	Very high	94.7	Very high	36 Å²	36	44.9 Å²	44.9	19%	0.188	23%	0.226	C	C	.	.	H	α-helix	trans	-55.8	-48.5	177.5	-178.4	67.8	0	0	0	111.5	V350 G359 R365 L366 L367 C373 Y375	V350-L363 HydrophobicContact CG2-CD1 4.31Å; G359-L363 WeakPolarHBondContact O-CB 3.39Å; G359-L363 PolarHBondContact O-N 2.79Å; L363-R365 VanDerWaalsContact C-N 3.26Å; L363-R365 PolarHBondContact O-N 2.95Å; L363-L366 PolarHBondContact O-N 3.24Å; L363-L367 HydrophobicContact CD1-CD1 4.09Å; L363-L367 HydrophobicContact CD1-CG 4.13Å; L363-L367 HydrophobicContact CD2-CD1 4.49Å; L363-L367 HydrophobicContact CG-CD1 3.88Å; L363-L367 HydrophobicContact CG-CG 4.29Å; L363-L367 WeakPolarHBondContact O-CB 3.33Å; L363-L367 VanDerWaalsContact O-CG 3.28Å; L363-L367 WeakPolarHBondContact O-CG 3.45Å; L363-L367 PolarHBondContact O-N 2.71Å; L363-C373 HydrophobicContact CD1-CB 3.58Å; L363-Y375 HydrophobicContact CB-CD2 4.42Å; L363-Y375 HydrophobicContact CD2-CD2 3.93Å; L363-Y375 HydrophobicContact CD2-CG 4.03Å
364	T	97.2	Very high	94.8	Very high	73 Å²	73	48.5 Å²	48.5	45%	0.448	24%	0.24	S	C	.	.	H	α-helix	trans	-57.7	-41.6	177.9	-58.9	0	0	0	0	111.5	R360 Q361 M362 K368	R360-T364 PolarHBondContact O-N 3.16Å; R360-T364 PolarHBondContact O-OG1 3.27Å; Q361-T364 PolarHBondContact O-N 3.39Å; M362-T364 VanDerWaalsContact C-N 3.34Å; M362-T364 PolarHBondContact O-N 2.89Å; T364-K368 HydrophobicContact CG2-CD 4.5Å; T364-K368 VanDerWaalsContact O-CG 3.3Å; T364-K368 WeakPolarHBondContact O-CG 3.42Å; T364-K368 PolarHBondContact O-N 3.38Å
365	R	97	Very high	95	Very high	65 Å²	65	47.7 Å²	47.7	25%	0.245	24%	0.238	C	C	.	.	H	α-helix	trans	-67.6	-44.6	179.4	-177.6	167.9	176.1	176.2	-3.2	112.1	Y292 E301 Q361 M362 L363 K368 A369	Y292-R365 PolarHBondContact OH-NH1 2.95Å; E301-R365 WeakPolarHBondContact OE1-CG 3.38Å; E301-R365 IonicContact OE1-CZ 3.24Å; E301-R365 IonicContact OE1-NE 2.62Å; E301-R365 PolarHBondContact OE1-NE 3.3Å; E301-R365 IonicContact OE1-NH2 3.03Å; E301-R365 IonicContact OE2-CZ 3.52Å; E301-R365 IonicContact OE2-NE 3.32Å; E301-R365 PolarHBondContact OE2-NE 3.46Å; E301-R365 IonicContact OE2-NH2 2.65Å; E301-R365 PolarHBondContact OE2-NH2 3.46Å; Q361-R365 WeakPolarHBondContact O-CB 3.42Å; Q361-R365 PolarHBondContact O-N 3.48Å; Q361-R365 VanDerWaalsContact O-N 3.07Å; M362-R365 WeakPolarHBondContact O-CB 3.46Å; M362-R365 PolarHBondContact O-N 3.34Å; M362-R365 VanDerWaalsContact O-N 3.09Å; L363-R365 VanDerWaalsContact C-N 3.26Å; L363-R365 PolarHBondContact O-N 2.95Å; R365-K368 PolarHBondContact O-N 3.11Å; R365-A369 PolarHBondContact O-N 3.35Å
366	L	97.1	Very high	95.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-69.7	-39.1	179.9	-62.5	176.4	0	0	0	112.8	I289 L300 V348 V350 M362 L363 K368 A369 G370 I371 C373	I289-L366 HydrophobicContact CD1-CD1 4.05Å; L300-L366 HydrophobicContact CB-CD2 3.8Å; L300-L366 HydrophobicContact CD1-CD1 3.96Å; L300-L366 HydrophobicContact CD1-CD2 3.83Å; L300-L366 HydrophobicContact CG-CD2 4.49Å; V348-L366 HydrophobicContact CB-CD1 4.27Å; V348-L366 HydrophobicContact CG1-CD1 3.81Å; V348-L366 HydrophobicContact CG2-CD1 4.45Å; V350-L366 HydrophobicContact CG2-CD1 4.1Å; M362-L366 HydrophobicContact CG-CD1 3.9Å; M362-L366 HydrophobicContact CG-CG 4.31Å; M362-L366 WeakPolarHBondContact O-CG 3.46Å; M362-L366 PolarHBondContact O-N 2.99Å; M362-L366 HydrophobicContact SD-CD1 4.02Å; M362-L366 HydrophobicContact SD-CD2 4.28Å; M362-L366 HydrophobicContact SD-CG 4.01Å; L363-L366 PolarHBondContact O-N 3.24Å; L366-K368 VanDerWaalsContact C-N 3.34Å; L366-K368 PolarHBondContact O-N 3.4Å; L366-A369 CarbonylContact O-C 3.51Å; L366-A369 WeakPolarHBondContact O-CB 3.35Å; L366-A369 PolarHBondContact O-N 3.22Å; L366-A369 VanDerWaalsContact O-N 3.09Å; L366-G370 PolarHBondContact O-N 2.93Å; L366-I371 HydrophobicContact CB-CB 4.37Å; L366-I371 HydrophobicContact CD2-CD1 3.75Å; L366-I371 PolarHBondContact O-N 3.33Å; L366-I371 VanDerWaalsContact O-N 3.09Å; L366-C373 WeakPolarHBondContact CB-SG 3.33Å
367	L	96.3	Very high	95.5	Very high	97 Å²	97	50.8 Å²	50.8	51%	0.508	25%	0.252	S	S	.	.	H	α-helix	trans	-63.5	-38.8	175.6	-71.1	176.8	0	0	0	112	L363 A369 G370 C373	L363-L367 HydrophobicContact CD1-CD1 4.09Å; L363-L367 HydrophobicContact CD1-CG 4.13Å; L363-L367 HydrophobicContact CD2-CD1 4.49Å; L363-L367 HydrophobicContact CG-CD1 3.88Å; L363-L367 HydrophobicContact CG-CG 4.29Å; L363-L367 WeakPolarHBondContact O-CB 3.33Å; L363-L367 VanDerWaalsContact O-CG 3.28Å; L363-L367 WeakPolarHBondContact O-CG 3.45Å; L363-L367 PolarHBondContact O-N 2.71Å; L367-A369 PolarHBondContact O-N 2.94Å; L367-G370 PolarHBondContact O-N 3.31Å; L367-C373 HydrophobicContact CD2-CB 4.32Å
368	K	95.4	Very high	95.7	Very high	179 Å²	179	51 Å²	51	78%	0.778	25%	0.254	S	S	*	.	H	α-helix	trans	-61.7	-31.9	172.9	-76.6	175.6	-179.5	-177.9	0	112.6	T364 R365 L366 G370	T364-K368 HydrophobicContact CG2-CD 4.5Å; T364-K368 VanDerWaalsContact O-CG 3.3Å; T364-K368 WeakPolarHBondContact O-CG 3.42Å; T364-K368 PolarHBondContact O-N 3.38Å; R365-K368 PolarHBondContact O-N 3.11Å; L366-K368 VanDerWaalsContact C-N 3.34Å; L366-K368 PolarHBondContact O-N 3.4Å; K368-G370 VanDerWaalsContact C-N 3.26Å
369	A	92.4	Very high	95.8	Very high	30 Å²	30	52.6 Å²	52.6	25%	0.248	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-7.8	174	0	0	0	0	0	113.4	E301 W304 R365 L366 L367 I371	E301-A369 HydrophobicContact CG-CB 4.27Å; W304-A369 PolarHBondContact NE1-O 3.47Å; R365-A369 PolarHBondContact O-N 3.35Å; L366-A369 CarbonylContact O-C 3.51Å; L366-A369 WeakPolarHBondContact O-CB 3.35Å; L366-A369 PolarHBondContact O-N 3.22Å; L366-A369 VanDerWaalsContact O-N 3.09Å; L367-A369 PolarHBondContact O-N 2.94Å; A369-I371 HydrophobicContact CB-CD1 4.04Å; A369-I371 HydrophobicContact CB-CG1 4.13Å
370	G	91.9	Very high	95.8	Very high	21 Å²	21	54.6 Å²	54.6	22%	0.216	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	18.3	-178	0	0	0	0	0	114.3	W304 L366 L367 K368	W304-G370 WeakPolarHBondContact CZ2-O 3.34Å; L366-G370 PolarHBondContact O-N 2.93Å; L367-G370 PolarHBondContact O-N 3.31Å; K368-G370 VanDerWaalsContact C-N 3.26Å
371	I	94.1	Very high	95.9	Very high	2 Å²	2	51 Å²	51	1%	0.01	28%	0.281	C	S	.	.			trans	-80.3	128.3	-178.9	-61.1	168.6	0	0	0	109.2	L300 W304 F346 V348 L366 A369 C373	L300-I371 HydrophobicContact CB-CD1 4.33Å; W304-I371 HydrophobicContact CB-CD1 3.88Å; W304-I371 HydrophobicContact CB-CG1 3.78Å; W304-I371 HydrophobicContact CD2-CG1 3.82Å; W304-I371 HydrophobicContact CE3-CG1 4.33Å; W304-I371 HydrophobicContact CG-CD1 4.19Å; W304-I371 HydrophobicContact CG-CG1 3.54Å; F346-I371 HydrophobicContact CE2-CG2 4.22Å; V348-I371 HydrophobicContact CG2-CG2 3.72Å; L366-I371 HydrophobicContact CB-CB 4.37Å; L366-I371 HydrophobicContact CD2-CD1 3.75Å; L366-I371 PolarHBondContact O-N 3.33Å; L366-I371 VanDerWaalsContact O-N 3.09Å; A369-I371 HydrophobicContact CB-CD1 4.04Å; A369-I371 HydrophobicContact CB-CG1 4.13Å; I371-C373 PolarHBondContact O-N 3.1Å; I371-C373 VanDerWaalsContact O-N 3.14Å; I371-C373 PolarHBondContact O-SG 2.97Å
372	P	95.5	Very high	96	Very high	44 Å²	44	49.7 Å²	49.7	29%	0.286	28%	0.28	S	S	.	.			trans	-59.7	116.8	174.3	-22.5	33.1	0	0	0	110.9	W304 S347 V348	W304-P372 HydrophobicContact CH2-CG 4.09Å; W304-P372 HydrophobicContact CZ3-CG 4.44Å; S347-P372 WeakPolarHBondContact CA-O 3.4Å; V348-P372 PolarHBondContact N-O 3.18Å
373	C	96.4	Very high	96	Very high	30 Å²	30	54.5 Å²	54.5	20%	0.203	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	137.4	-175.5	-67	0	0	0	0	111.2	V348 L363 L366 L367 I371	V348-C373 CarbonylContact O-C 3.56Å; V348-C373 VanDerWaalsContact O-CA 3.28Å; V348-C373 WeakPolarHBondContact O-CA 3.43Å; L363-C373 HydrophobicContact CD1-CB 3.58Å; L366-C373 WeakPolarHBondContact CB-SG 3.33Å; L367-C373 HydrophobicContact CD2-CB 4.32Å; I371-C373 PolarHBondContact O-N 3.1Å; I371-C373 VanDerWaalsContact O-N 3.14Å; I371-C373 PolarHBondContact O-SG 2.97Å
374	E	97	Very high	96	Very high	99 Å²	99	54.9 Å²	54.9	46%	0.463	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	147.4	163.2	-68.1	-170	-129.7	0	0	109.4	V348 L349 V350 K387	V348-E374 PolarHBondContact O-N 2.94Å; L349-E374 HydrophobicContact CD1-CB 3.89Å; V350-E374 PolarHBondContact N-O 3.11Å; E374-K387 IonicContact OE1-NZ 2.86Å; E374-K387 PolarHBondContact OE1-NZ 3.49Å; E374-K387 IonicContact OE2-NZ 2.83Å; E374-K387 PolarHBondContact OE2-NZ 2.77Å
375	Y	97.4	Very high	95.9	Very high	86 Å²	86	51.4 Å²	51.4	34%	0.337	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	130.4	-177.4	175.8	-89.3	0	0	0	109.9	V350 D352 R360 L363	V350-Y375 HydrophobicContact CB-CD2 4.21Å; V350-Y375 HydrophobicContact CG1-CD2 4.13Å; V350-Y375 WeakPolarHBondContact O-CA 3.37Å; D352-Y375 HydrophobicContact CB-CE2 3.52Å; D352-Y375 WeakPolarHBondContact CB-OH 3.32Å; D352-Y375 PolarHBondContact OD2-OH 3.28Å; R360-Y375 HydrophobicContact CG-CE2 4.2Å; L363-Y375 HydrophobicContact CB-CD2 4.42Å; L363-Y375 HydrophobicContact CD2-CD2 3.93Å; L363-Y375 HydrophobicContact CD2-CG 4.03Å
376	T	96.4	Very high	95.9	Very high	18 Å²	18	54.3 Å²	54.3	11%	0.11	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	150.3	-179.9	-165.6	0	0	0	0	111.9	L349 V350 V351 D352 V384	L349-T376 HydrophobicContact CD1-CG2 3.88Å; L349-T376 HydrophobicContact CD2-CG2 4.49Å; L349-T376 HydrophobicContact CG-CG2 4.27Å; V350-T376 PolarHBondContact O-N 3.04Å; V351-T376 WeakPolarHBondContact CA-O 3.34Å; V351-T376 HydrophobicContact CB-CG2 4.49Å; V351-T376 HydrophobicContact CG1-CG2 4.49Å; V351-T376 HydrophobicContact CG2-CG2 3.98Å; D352-T376 PolarHBondContact N-O 2.81Å; T376-V384 HydrophobicContact CG2-CG2 4.12Å
377	H	95.2	Very high	95.8	Very high	84 Å²	84	58 Å²	58	39%	0.389	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	146.4	169.5	-177.5	-103.1	0	0	0	109.9	D352 G379 A380 L381	D352-H377 CarbonylContact O-C 3.12Å; D352-H377 WeakPolarHBondContact O-CA 3.47Å; H377-G379 PolarHBondContact ND1-N 2.93Å; H377-G379 VanDerWaalsContact ND1-N 3.12Å; H377-G379 PolarHBondContact O-N 3.33Å; H377-A380 PolarHBondContact O-N 3.25Å; H377-L381 PolarHBondContact O-N 3.37Å
378	I	96.1	Very high	95.9	Very high	21 Å²	21	53.6 Å²	53.6	11%	0.108	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-52.4	-34.9	-180	-166.6	168.9	0	0	0	113.3	F290 V351 D352 A380 L381 Q412 V413	F290-I378 HydrophobicContact CE2-CD1 4.01Å; F290-I378 HydrophobicContact CZ-CD1 4.32Å; V351-I378 HydrophobicContact CG1-CB 4Å; V351-I378 HydrophobicContact CG1-CG1 4.25Å; D352-I378 PolarHBondContact O-N 3.39Å; I378-A380 VanDerWaalsContact C-N 3.29Å; I378-A380 PolarHBondContact O-N 3.17Å; I378-L381 VanDerWaalsContact O-CB 3.23Å; I378-L381 WeakPolarHBondContact O-CB 3.43Å; I378-L381 PolarHBondContact O-N 3.19Å; I378-Q412 HydrophobicContact CD1-CB 4.11Å; I378-V413 HydrophobicContact CD1-CG2 3.94Å; I378-V413 HydrophobicContact CG1-CG2 4.16Å
379	G	95.4	Very high	96	Very high	61 Å²	61	47.1 Å²	47.1	63%	0.629	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-67.8	-22.5	176.7	0	0	0	0	0	115	H377	H377-G379 PolarHBondContact ND1-N 2.93Å; H377-G379 VanDerWaalsContact ND1-N 3.12Å; H377-G379 PolarHBondContact O-N 3.33Å
380	A	96.4	Very high	96.2	Very high	41 Å²	41	46.1 Å²	46.1	34%	0.339	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-98	-3	176.1	0	0	0	0	0	112.7	H377 I378 P382 S383	H377-A380 PolarHBondContact O-N 3.25Å; I378-A380 VanDerWaalsContact C-N 3.29Å; I378-A380 PolarHBondContact O-N 3.17Å; A380-P382 VanDerWaalsContact C-CD 3.49Å; A380-S383 PolarHBondContact O-N 3.13Å
381	L	97.6	Very high	96.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-53.9	-45.1	179.6	177.8	60.8	0	0	0	113.1	L349 V351 H377 I378 S383 V384 A385 I388 V413 I416	L349-L381 HydrophobicContact CD2-CD1 4.05Å; V351-L381 HydrophobicContact CG1-CD2 4.32Å; V351-L381 HydrophobicContact CG2-CD1 3.71Å; V351-L381 HydrophobicContact CG2-CD2 4.3Å; H377-L381 PolarHBondContact O-N 3.37Å; I378-L381 VanDerWaalsContact O-CB 3.23Å; I378-L381 WeakPolarHBondContact O-CB 3.43Å; I378-L381 PolarHBondContact O-N 3.19Å; L381-S383 PolarHBondContact O-N 3.14Å; L381-S383 VanDerWaalsContact O-N 3.16Å; L381-V384 HydrophobicContact CD1-CG2 4.42Å; L381-V384 CarbonylContact O-C 3.48Å; L381-V384 WeakPolarHBondContact O-CG2 3.25Å; L381-V384 PolarHBondContact O-N 2.78Å; L381-A385 WeakPolarHBondContact O-CB 3.47Å; L381-A385 PolarHBondContact O-N 3.22Å; L381-I388 HydrophobicContact CD1-CD1 3.82Å; L381-V413 HydrophobicContact CD2-CB 4.13Å; L381-V413 HydrophobicContact CD2-CG1 3.99Å; L381-V413 HydrophobicContact CD2-CG2 3.92Å; L381-I416 HydrophobicContact CD2-CB 4.09Å; L381-I416 HydrophobicContact CD2-CD1 4.13Å; L381-I416 HydrophobicContact CD2-CG2 4.05Å; L381-I416 HydrophobicContact CG-CB 4.49Å; L381-I416 HydrophobicContact CG-CG2 3.89Å
382	P	97.5	Very high	96.7	Very high	55 Å²	55	45 Å²	45	36%	0.357	27%	0.266	S	S	.	.	H	α-helix	trans	-56	-36	-179.3	-27.2	36.3	0	0	0	113.8	A380 V384 I416 I420	A380-P382 VanDerWaalsContact C-CD 3.49Å; P382-V384 VanDerWaalsContact C-N 3.28Å; P382-V384 PolarHBondContact O-N 3.08Å; P382-I416 HydrophobicContact CB-CG2 4.43Å; P382-I416 HydrophobicContact CG-CD1 4.15Å; P382-I416 HydrophobicContact CG-CG2 4.13Å; P382-I420 HydrophobicContact CB-CD1 3.92Å
383	S	96.8	Very high	96.9	Very high	103 Å²	103	43.2 Å²	43.2	72%	0.72	25%	0.254	S	S	*	.	H	α-helix	trans	-69.8	-24.2	-179	-52.7	0	0	0	0	113.6	A380 L381	A380-S383 PolarHBondContact O-N 3.13Å; L381-S383 PolarHBondContact O-N 3.14Å; L381-S383 VanDerWaalsContact O-N 3.16Å
384	V	96	Very high	96.8	Very high	44 Å²	44	42.7 Å²	42.7	27%	0.267	25%	0.254	S	S	.	.	H	α-helix	trans	-113.1	-1.1	-178.5	-60.8	0	0	0	0	112.9	L349 T376 L381 P382 N386 K387	L349-V384 HydrophobicContact CD1-CG2 4.47Å; L349-V384 HydrophobicContact CD2-CG2 4.03Å; T376-V384 HydrophobicContact CG2-CG2 4.12Å; L381-V384 HydrophobicContact CD1-CG2 4.42Å; L381-V384 CarbonylContact O-C 3.48Å; L381-V384 WeakPolarHBondContact O-CG2 3.25Å; L381-V384 PolarHBondContact O-N 2.78Å; P382-V384 VanDerWaalsContact C-N 3.28Å; P382-V384 PolarHBondContact O-N 3.08Å; V384-N386 VanDerWaalsContact C-N 3.3Å; V384-N386 PolarHBondContact O-N 3.17Å; V384-K387 WeakPolarHBondContact O-CG 3.46Å
385	A	96	Very high	96.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-65.9	-29.1	-171.9	0	0	0	0	0	113.5	L381 K387 I388 I416 I420 S421	L381-A385 WeakPolarHBondContact O-CB 3.47Å; L381-A385 PolarHBondContact O-N 3.22Å; A385-K387 PolarHBondContact O-N 2.72Å; A385-I388 HydrophobicContact CB-CD1 4.11Å; A385-I388 WeakPolarHBondContact O-CB 3.28Å; A385-I388 WeakPolarHBondContact O-CG1 3.41Å; A385-I388 PolarHBondContact O-N 3.17Å; A385-I416 HydrophobicContact CB-CG2 4.07Å; A385-I420 HydrophobicContact CB-CB 3.97Å; A385-I420 HydrophobicContact CB-CD1 3.95Å; A385-I420 HydrophobicContact CB-CG2 3.85Å; A385-S421 VanDerWaalsContact O-CB 3.26Å; A385-S421 WeakPolarHBondContact O-CB 3.44Å
386	N	96.6	Very high	96.7	Very high	126 Å²	126	35 Å²	35	67%	0.674	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-53.2	-24.9	-177.4	-72.5	-36	0	0	0	115.1	V384 I420	V384-N386 VanDerWaalsContact C-N 3.3Å; V384-N386 PolarHBondContact O-N 3.17Å; N386-I420 WeakPolarHBondContact OD1-CG2 3.39Å
387	K	95.3	Very high	96.6	Very high	77 Å²	77	34.1 Å²	34.1	34%	0.335	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-88.9	-12.9	-179.4	74.7	-164.3	177.4	179	0	114.2	C286 E374 V384 A385 S389	C286-K387 VanDerWaalsContact CB-O 3.22Å; C286-K387 WeakPolarHBondContact CB-O 3.15Å; E374-K387 IonicContact OE1-NZ 2.86Å; E374-K387 PolarHBondContact OE1-NZ 3.49Å; E374-K387 IonicContact OE2-NZ 2.83Å; E374-K387 PolarHBondContact OE2-NZ 2.77Å; V384-K387 WeakPolarHBondContact O-CG 3.46Å; A385-K387 PolarHBondContact O-N 2.72Å; K387-S389 PolarHBondContact O-N 2.82Å
388	I	97.8	Very high	96.6	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.026	20%	0.198	C	C	.	.			trans	-69.6	122.2	-175.2	-60.3	168.6	0	0	0	108.3	C288 L349 L381 A385 V391 A417 S421 A423	C288-I388 HydrophobicContact CB-CB 4.32Å; C288-I388 HydrophobicContact CB-CD1 3.84Å; C288-I388 HydrophobicContact CB-CG1 3.94Å; C288-I388 HydrophobicContact CB-CG2 3.45Å; C288-I388 VanDerWaalsContact CB-CG2 3.45Å; L349-I388 HydrophobicContact CD2-CD1 3.83Å; L349-I388 HydrophobicContact CD2-CG1 3.81Å; L381-I388 HydrophobicContact CD1-CD1 3.82Å; A385-I388 HydrophobicContact CB-CD1 4.11Å; A385-I388 WeakPolarHBondContact O-CB 3.28Å; A385-I388 WeakPolarHBondContact O-CG1 3.41Å; A385-I388 PolarHBondContact O-N 3.17Å; I388-V391 HydrophobicContact CG2-CG2 3.95Å; I388-A417 HydrophobicContact CD1-CB 4.41Å; I388-S421 WeakPolarHBondContact O-CB 3.48Å; I388-S421 PolarHBondContact O-OG 3.23Å; I388-A423 HydrophobicContact CG2-CB 3.88Å
389	S	97.3	Very high	96.5	Very high	43 Å²	43	29.2 Å²	29.2	30%	0.301	19%	0.194	S	C	.	.			trans	-103.9	-23	177.7	61.8	0	0	0	0	113	E285 C286 K387 P424	E285-S389 VanDerWaalsContact CA-OG 3.29Å; E285-S389 WeakPolarHBondContact CA-OG 3.34Å; E285-S389 WeakPolarHBondContact CB-OG 3.25Å; E285-S389 WeakPolarHBondContact CG-OG 3.34Å; C286-S389 PolarHBondContact N-OG 2.87Å; C286-S389 PolarHBondContact O-N 3.03Å; C286-S389 PolarHBondContact O-OG 2.86Å; K387-S389 PolarHBondContact O-N 2.82Å; S389-P424 WeakPolarHBondContact O-CD 3.49Å
390	L	98.1	Very high	96.5	Very high	8 Å²	8	27.7 Å²	27.7	4%	0.042	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	136.3	-178.5	179.1	64	0	0	0	109.5	I281 C286 V287 C288 I392 P424 I426	I281-L390 HydrophobicContact CG1-CD2 4.02Å; C286-L390 PolarHBondContact O-N 3.02Å; V287-L390 CarbonylContact C-O 3.56Å; V287-L390 WeakPolarHBondContact CA-O 3.46Å; V287-L390 HydrophobicContact CG2-CD2 4.42Å; C288-L390 PolarHBondContact N-O 3.46Å; L390-I392 HydrophobicContact CD2-CD1 3.93Å; L390-I392 HydrophobicContact CD2-CG1 4.04Å; L390-I392 HydrophobicContact CG-CD1 4.47Å; L390-I392 HydrophobicContact CG-CG1 4.04Å; L390-P424 HydrophobicContact CD1-CG 3.94Å; L390-I426 HydrophobicContact CD1-CG1 3.81Å
391	V	98.4	Very high	96.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.4	172.2	-169.7	0	0	0	0	108.9	C288 I388 L393 A417 A423 P424 T425 I426	C288-V391 HydrophobicContact CB-CG1 4.47Å; C288-V391 HydrophobicContact CB-CG2 4.29Å; C288-V391 WeakPolarHBondContact O-CA 3.33Å; I388-V391 HydrophobicContact CG2-CG2 3.95Å; V391-L393 HydrophobicContact CG1-CD1 4.06Å; V391-L393 HydrophobicContact CG1-CD2 3.89Å; V391-L393 HydrophobicContact CG1-CG 3.8Å; V391-A417 HydrophobicContact CG2-CB 3.43Å; V391-A417 VanDerWaalsContact CG2-CB 3.43Å; V391-A423 HydrophobicContact CG2-CB 4.13Å; V391-P424 PolarHBondContact N-O 3.35Å; V391-T425 HydrophobicContact CB-CG2 4.28Å; V391-T425 HydrophobicContact CG1-CG2 4.28Å; V391-I426 PolarHBondContact O-N 2.74Å
392	I	98.4	Very high	96.1	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	117.8	174.4	-57	-178.3	0	0	0	109.2	T277 I281 V287 C288 I289 V296 V299 L390 I426	T277-I392 HydrophobicContact CG2-CD1 4.02Å; T277-I392 HydrophobicContact CG2-CG2 4.48Å; I281-I392 HydrophobicContact CD1-CD1 3.77Å; I281-I392 HydrophobicContact CG1-CD1 3.87Å; V287-I392 HydrophobicContact CG1-CB 4.18Å; V287-I392 HydrophobicContact CG1-CD1 3.71Å; V287-I392 HydrophobicContact CG1-CG1 3.77Å; C288-I392 PolarHBondContact O-N 3.33Å; I289-I392 HydrophobicContact CG2-CB 4.48Å; I289-I392 WeakPolarHBondContact CG2-O 3.38Å; V296-I392 HydrophobicContact CG1-CB 4.44Å; V296-I392 HydrophobicContact CG1-CG2 3.9Å; V296-I392 HydrophobicContact CG2-CG2 3.99Å; V299-I392 HydrophobicContact CG1-CD1 4.43Å; L390-I392 HydrophobicContact CD2-CD1 3.93Å; L390-I392 HydrophobicContact CD2-CG1 4.04Å; L390-I392 HydrophobicContact CG-CD1 4.47Å; L390-I392 HydrophobicContact CG-CG1 4.04Å; I392-I426 WeakPolarHBondContact CA-O 3.48Å
393	L	98	Very high	96	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	149	-177.4	-56.9	172.5	0	0	0	110.4	F290 V391 T410 A414 T425 I426 V427 C428 L507	F290-L393 HydrophobicContact CB-CD2 3.88Å; V391-L393 HydrophobicContact CG1-CD1 4.06Å; V391-L393 HydrophobicContact CG1-CD2 3.89Å; V391-L393 HydrophobicContact CG1-CG 3.8Å; L393-T410 HydrophobicContact CB-CG2 4.43Å; L393-T410 HydrophobicContact CD1-CG2 3.77Å; L393-T410 HydrophobicContact CD2-CG2 4.48Å; L393-T410 HydrophobicContact CG-CG2 4.44Å; L393-A414 HydrophobicContact CD1-CB 4.13Å; L393-T425 HydrophobicContact CD1-CG2 3.62Å; L393-T425 HydrophobicContact CG-CG2 4.28Å; L393-I426 PolarHBondContact N-O 2.8Å; L393-V427 HydrophobicContact CB-CG2 4.46Å; L393-V427 CarbonylContact O-C 3.54Å; L393-V427 WeakPolarHBondContact O-CA 3.42Å; L393-C428 PolarHBondContact O-N 3.22Å; L393-L507 HydrophobicContact CD1-CD2 4.18Å
394	G	96.3	Very high	95.9	Very high	20 Å²	20	23.9 Å²	23.9	21%	0.206	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	149.8	165.4	0	0	0	0	0	110.6
395	A	95.5	Very high	95.9	Very high	6 Å²	6	22 Å²	22	5%	0.05	12%	0.12	C	C	.	.			trans	-100.5	142.5	170.7	0	0	0	0	0	112	V404 V427 C428 A429 K433	A395-V404 HydrophobicContact CB-CG1 3.73Å; A395-V427 HydrophobicContact CB-CG1 3.83Å; A395-C428 PolarHBondContact N-O 3.49Å; A395-A429 HydrophobicContact CB-CB 3.8Å; A395-K433 PolarHBondContact O-NZ 3.19Å
396	H	95.1	Very high	95.8	Very high	17 Å²	17	22 Å²	22	8%	0.079	12%	0.12	C	C	.	.	S	Bend	trans	-75.1	-44.6	160.3	-169.2	98.6	0	0	0	110.3	S224 L405 Y504	S224-H396 VanDerWaalsContact CB-NE2 3.35Å; S224-H396 WeakPolarHBondContact CB-NE2 3.42Å; H396-L405 WeakPolarHBondContact CA-O 3.28Å; H396-L405 VanDerWaalsContact CB-O 3.29Å; H396-L405 WeakPolarHBondContact CB-O 3.36Å; H396-L405 PolarHBondContact N-O 3.5Å; H396-Y504 HydrophobicContact CB-CD1 4.31Å; H396-Y504 HydrophobicContact CB-CE1 4.22Å; H396-Y504 AromaticContact CE1-CE1 3.62Å; H396-Y504 AromaticContact CE1-CZ 3.54Å; H396-Y504 PolarHBondContact CE1-OH 2.9Å; H396-Y504 VanDerWaalsContact CE1-OH 3.22Å; H396-Y504 AromaticContact CG-CE1 3.66Å; H396-Y504 AromaticContact ND1-CE1 3.26Å; H396-Y504 VanDerWaalsContact ND1-CE1 3.26Å; H396-Y504 WeakPolarHBondContact ND1-CE1 3.38Å; H396-Y504 AromaticContact ND1-CZ 3.71Å
397	A	95.1	Very high	95.7	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	159.2	175.2	0	0	0	0	0	112.1	V225 L405 K433	V225-A397 HydrophobicContact CB-CB 3.89Å; V225-A397 HydrophobicContact CG1-CB 4Å; V225-A397 HydrophobicContact CG2-CB 3.69Å; A397-L405 HydrophobicContact CB-CB 4.06Å; A397-L405 HydrophobicContact CB-CD2 4.25Å; A397-L405 PolarHBondContact N-O 3.47Å; A397-L405 PolarHBondContact O-N 2.89Å; A397-K433 VanDerWaalsContact CA-O 3.3Å; A397-K433 WeakPolarHBondContact CA-O 3.49Å
398	L	95.1	Very high	95.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120	171.5	-89.9	147.2	0	0	0	109.1	V404 A429 K433 F434 W435 V515 V527	L398-V404 HydrophobicContact CD2-CG2 3.59Å; L398-V404 HydrophobicContact CG-CG2 4.35Å; L398-A429 HydrophobicContact CD1-CB 3.45Å; L398-A429 VanDerWaalsContact CD1-CB 3.45Å; L398-K433 PolarHBondContact N-O 3.42Å; L398-K433 VanDerWaalsContact N-O 3.1Å; L398-F434 HydrophobicContact CB-CD1 3.82Å; L398-F434 HydrophobicContact CB-CE1 4.06Å; L398-F434 HydrophobicContact CB-CG 4.29Å; L398-F434 HydrophobicContact CD1-CD1 3.85Å; L398-F434 HydrophobicContact CD1-CE1 3.29Å; L398-F434 HydrophobicContact CD1-CZ 3.94Å; L398-F434 HydrophobicContact CG-CD1 4.49Å; L398-F434 HydrophobicContact CG-CE1 4.28Å; L398-F434 CarbonylContact O-C 3.58Å; L398-F434 WeakPolarHBondContact O-CA 3.17Å; L398-W435 PolarHBondContact O-N 3.43Å; L398-V515 HydrophobicContact CD1-CG1 3.57Å; L398-V515 HydrophobicContact CD2-CG1 4.39Å; L398-V515 HydrophobicContact CD2-CG2 3.93Å; L398-V527 HydrophobicContact CB-CG2 4.35Å; L398-V527 HydrophobicContact CD2-CG2 4.03Å
399	L	95	Very high	95.5	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.01	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	155.8	-175.7	-56.4	-173.8	0	0	0	111.2	N401 G402 Y403 W435 R437 H439 V506 V527	L399-N401 WeakPolarHBondContact CB-OD1 3.44Å; L399-N401 PolarHBondContact O-N 3.01Å; L399-G402 PolarHBondContact O-N 2.82Å; L399-Y403 PolarHBondContact N-O 3.1Å; L399-W435 HydrophobicContact CD2-CB 4.21Å; L399-W435 HydrophobicContact CD2-CD2 4.34Å; L399-W435 HydrophobicContact CD2-CE3 3.45Å; L399-W435 VanDerWaalsContact CD2-CE3 3.45Å; L399-W435 HydrophobicContact CD2-CZ3 4.19Å; L399-R437 WeakPolarHBondContact CB-O 3.26Å; L399-H439 HydrophobicContact CD1-CB 3.91Å; L399-H439 VanDerWaalsContact CD1-O 3.29Å; L399-H439 WeakPolarHBondContact CD1-O 3.45Å; L399-V506 HydrophobicContact CD1-CG1 4.36Å; L399-V527 WeakPolarHBondContact O-CG1 3.41Å
400	S	93.5	Very high	95.5	Very high	28 Å²	28	15.8 Å²	15.8	20%	0.196	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.6	-177.1	59.9	0	0	0	0	113.8	G402 W435 E436 R437 A438 P528	S400-G402 VanDerWaalsContact C-N 3.27Å; S400-G402 PolarHBondContact O-N 2.68Å; S400-W435 PolarHBondContact N-O 2.99Å; S400-W435 VanDerWaalsContact N-O 3.07Å; S400-E436 WeakPolarHBondContact CB-O 3.33Å; S400-E436 PolarHBondContact OG-O 2.96Å; S400-R437 PolarHBondContact N-O 3.22Å; S400-R437 VanDerWaalsContact N-O 3.17Å; S400-R437 PolarHBondContact OG-O 2.96Å; S400-A438 WeakPolarHBondContact OG-CB 3.5Å; S400-P528 WeakPolarHBondContact O-CD 3.45Å; S400-P528 WeakPolarHBondContact O-CG 3.48Å
401	N	92.8	Very high	95.3	Very high	55 Å²	55	16 Å²	16	29%	0.294	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	5.3	171	61.6	-5.3	0	0	0	114	L399 Y403 A438 H439	L399-N401 WeakPolarHBondContact CB-OD1 3.44Å; L399-N401 PolarHBondContact O-N 3.01Å; N401-Y403 VanDerWaalsContact C-N 3.34Å; N401-Y403 HydrophobicContact CB-CD2 4.32Å; N401-Y403 VanDerWaalsContact CG-CD2 3.5Å; N401-Y403 WeakPolarHBondContact ND2-CD2 2.97Å; N401-Y403 PolarHBondContact OD1-N 3.45Å; N401-A438 HydrophobicContact CB-CB 3.88Å; N401-H439 PolarHBondContact ND2-O 2.83Å
402	G	93.4	Very high	95.2	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.01	11%	0.106	C	C	.	.	S	Bend	trans	85.7	-0.6	178.1	0	0	0	0	0	115	L399 S400 T524	L399-G402 PolarHBondContact O-N 2.82Å; S400-G402 VanDerWaalsContact C-N 3.27Å; S400-G402 PolarHBondContact O-N 2.68Å; G402-T524 WeakPolarHBondContact CA-O 3.42Å; G402-T524 WeakPolarHBondContact O-CB 3.42Å; G402-T524 WeakPolarHBondContact O-CG2 3.31Å
403	Y	95.3	Very high	95.2	Very high	63 Å²	63	20.1 Å²	20.1	25%	0.247	11%	0.106	C	C	.	.			trans	-71.3	145.5	174.4	-82	-109	0	0	0	111.1	L399 N401 S440 V506 P508 P509	L399-Y403 PolarHBondContact N-O 3.1Å; N401-Y403 VanDerWaalsContact C-N 3.34Å; N401-Y403 HydrophobicContact CB-CD2 4.32Å; N401-Y403 VanDerWaalsContact CG-CD2 3.5Å; N401-Y403 WeakPolarHBondContact ND2-CD2 2.97Å; N401-Y403 PolarHBondContact OD1-N 3.45Å; Y403-S440 WeakPolarHBondContact CE1-O 3.49Å; Y403-V506 HydrophobicContact CD1-CB 4.36Å; Y403-V506 HydrophobicContact CD1-CG1 3.45Å; Y403-V506 VanDerWaalsContact CD1-CG1 3.45Å; Y403-V506 HydrophobicContact CE1-CG1 4.48Å; Y403-V506 HydrophobicContact CG-CG1 3.97Å; Y403-P508 HydrophobicContact CD1-CB 4.33Å; Y403-P508 HydrophobicContact CE1-CB 3.82Å; Y403-P509 HydrophobicContact CD2-CG 4.18Å; Y403-P509 HydrophobicContact CE2-CG 4.13Å
404	V	95.4	Very high	95.2	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	119.8	179.3	178.1	0	0	0	0	108.9	A395 L398 G406 V427 L507 V512	A395-V404 HydrophobicContact CB-CG1 3.73Å; L398-V404 HydrophobicContact CD2-CG2 3.59Å; L398-V404 HydrophobicContact CG-CG2 4.35Å; V404-G406 PolarHBondContact O-N 3.39Å; V404-V427 HydrophobicContact CG1-CG1 3.9Å; V404-V427 HydrophobicContact CG1-CG2 4.47Å; V404-V427 HydrophobicContact CG2-CG1 4.29Å; V404-V427 HydrophobicContact CG2-CG2 4.31Å; V404-L507 HydrophobicContact CB-CB 4.05Å; V404-L507 HydrophobicContact CB-CD2 4.21Å; V404-L507 HydrophobicContact CB-CG 4.37Å; V404-L507 HydrophobicContact CG1-CD2 4.48Å; V404-L507 PolarHBondContact N-O 3.49Å; V404-L507 PolarHBondContact O-N 3.38Å; V404-V512 HydrophobicContact CG2-CG2 3.95Å
405	L	95	Very high	95.3	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.021	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	116	171	-168.5	71.1	0	0	0	108.6	H396 A397 Y504 V506	H396-L405 WeakPolarHBondContact CA-O 3.28Å; H396-L405 VanDerWaalsContact CB-O 3.29Å; H396-L405 WeakPolarHBondContact CB-O 3.36Å; H396-L405 PolarHBondContact N-O 3.5Å; A397-L405 HydrophobicContact CB-CB 4.06Å; A397-L405 HydrophobicContact CB-CD2 4.25Å; A397-L405 PolarHBondContact N-O 3.47Å; A397-L405 PolarHBondContact O-N 2.89Å; L405-Y504 HydrophobicContact CD1-CG 4.4Å; L405-Y504 HydrophobicContact CD2-CG 4.36Å; L405-Y504 HydrophobicContact CG-CG 4.27Å; L405-V506 HydrophobicContact CD1-CG2 4.02Å
406	G	94.4	Very high	95.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	177.3	178.6	0	0	0	0	0	111.8	V404 Y504 D505	V404-G406 PolarHBondContact O-N 3.39Å; G406-Y504 CarbonylContact O-C 3.52Å; G406-Y504 WeakPolarHBondContact O-CA 3.26Å; G406-Y504 WeakPolarHBondContact O-CB 3.42Å; G406-Y504 WeakPolarHBondContact O-CD1 3.46Å; G406-D505 PolarHBondContact N-O 3.38Å; G406-D505 PolarHBondContact O-N 3.01Å
407	R	94.4	Very high	95.5	Very high	42 Å²	42	23.1 Å²	23.1	16%	0.158	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	150.6	169	-77.1	-61.4	-155.6	-177.2	8.3	110.5	F290 E358 G409 T410 E503	F290-R407 HydrophobicContact CE1-CB 4.11Å; E358-R407 IonicContact OE1-CZ 3.58Å; E358-R407 VanDerWaalsContact OE1-CZ 3.3Å; E358-R407 IonicContact OE1-NE 2.77Å; E358-R407 PolarHBondContact OE1-NE 3.3Å; E358-R407 IonicContact OE1-NH2 3.62Å; E358-R407 PolarHBondContact OE1-NH2 2.96Å; E358-R407 IonicContact OE2-NE 3.3Å; E358-R407 PolarHBondContact OE2-NE 3.42Å; R407-G409 PolarHBondContact O-N 3.26Å; R407-G409 VanDerWaalsContact O-N 3.13Å; R407-T410 PolarHBondContact N-OG1 3.05Å; R407-T410 VanDerWaalsContact N-OG1 3.12Å; R407-T410 VanDerWaalsContact O-CB 3.27Å; R407-T410 WeakPolarHBondContact O-CB 3.41Å; R407-T410 PolarHBondContact O-N 3.24Å; R407-T410 PolarHBondContact O-OG1 3.48Å; R407-E503 IonicContact CZ-OE2 2.68Å; R407-E503 IonicContact NH1-OE2 2.63Å; R407-E503 PolarHBondContact NH1-OE2 3.47Å
408	M	94.2	Very high	95.6	Very high	70 Å²	70	24.4 Å²	24.4	35%	0.345	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	120.2	177.5	-175.7	60.5	-169.9	0	0	111.6	F290 L502 E503 D505	F290-M408 VanDerWaalsContact CE1-O 3.32Å; F290-M408 WeakPolarHBondContact CE1-O 3.48Å; F290-M408 WeakPolarHBondContact CZ-O 3.27Å; M408-L502 VanDerWaalsContact CB-O 3.29Å; M408-L502 WeakPolarHBondContact CB-O 3.27Å; M408-L502 HydrophobicContact SD-CB 4.21Å; M408-E503 PolarHBondContact N-O 3.34Å; M408-D505 HydrophobicContact SD-CB 3.83Å
409	G	95.1	Very high	95.7	Very high	3 Å²	3	27.7 Å²	27.7	3%	0.031	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	106.1	-13.2	-173.9	0	0	0	0	0	114.7	R407 A411 Q412 V413	R407-G409 PolarHBondContact O-N 3.26Å; R407-G409 VanDerWaalsContact O-N 3.13Å; G409-A411 VanDerWaalsContact C-N 3.31Å; G409-A411 PolarHBondContact O-N 3.47Å; G409-Q412 WeakPolarHBondContact O-CB 3.45Å; G409-Q412 PolarHBondContact O-N 3.03Å; G409-Q412 VanDerWaalsContact O-N 3.14Å; G409-V413 WeakPolarHBondContact O-CG2 3.48Å; G409-V413 PolarHBondContact O-N 3.19Å
410	T	96.2	Very high	95.8	Very high	6 Å²	6	30.4 Å²	30.4	4%	0.037	16%	0.164	C	C	.	.	H	α-helix	trans	-58.6	-42.2	177.7	-56.8	0	0	0	0	111.5	F290 L393 R407 A414	F290-T410 WeakPolarHBondContact CD1-OG1 3.36Å; L393-T410 HydrophobicContact CB-CG2 4.43Å; L393-T410 HydrophobicContact CD1-CG2 3.77Å; L393-T410 HydrophobicContact CD2-CG2 4.48Å; L393-T410 HydrophobicContact CG-CG2 4.44Å; R407-T410 PolarHBondContact N-OG1 3.05Å; R407-T410 VanDerWaalsContact N-OG1 3.12Å; R407-T410 VanDerWaalsContact O-CB 3.27Å; R407-T410 WeakPolarHBondContact O-CB 3.41Å; R407-T410 PolarHBondContact O-N 3.24Å; R407-T410 PolarHBondContact O-OG1 3.48Å; T410-A414 PolarHBondContact O-N 3.24Å
411	A	95.9	Very high	95.9	Very high	11 Å²	11	30.4 Å²	30.4	9%	0.091	16%	0.164	C	C	.	.	H	α-helix	trans	-70.2	-35.4	178.4	0	0	0	0	0	111.8	G409 A414 N415 D505 L507	G409-A411 VanDerWaalsContact C-N 3.31Å; G409-A411 PolarHBondContact O-N 3.47Å; A411-A414 PolarHBondContact O-N 3.11Å; A411-N415 WeakPolarHBondContact O-CB 2.91Å; A411-N415 PolarHBondContact O-N 3.04Å; A411-D505 WeakPolarHBondContact CB-OD2 3.5Å; A411-D505 PolarHBondContact N-OD2 3.47Å; A411-L507 HydrophobicContact CB-CB 4.15Å; A411-L507 HydrophobicContact CB-CD1 4.37Å
412	Q	96.1	Very high	96	Very high	89 Å²	89	35 Å²	35	42%	0.416	18%	0.183	S	C	.	.	H	α-helix	trans	-63.7	-45.4	176.1	-60.8	179.1	19	0	0	111.7	I378 G409 N415 I416	I378-Q412 HydrophobicContact CD1-CB 4.11Å; G409-Q412 WeakPolarHBondContact O-CB 3.45Å; G409-Q412 PolarHBondContact O-N 3.03Å; G409-Q412 VanDerWaalsContact O-N 3.14Å; Q412-N415 PolarHBondContact O-N 3.26Å; Q412-I416 WeakPolarHBondContact O-CB 3.44Å; Q412-I416 WeakPolarHBondContact O-CD1 3.47Å; Q412-I416 VanDerWaalsContact O-CG1 3.23Å; Q412-I416 WeakPolarHBondContact O-CG1 3.43Å; Q412-I416 PolarHBondContact O-N 3.17Å
413	V	97.9	Very high	96.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.6	-48.8	177.4	173.6	0	0	0	0	111	F290 V351 I378 L381 G409 N415 I416 A417	F290-V413 HydrophobicContact CB-CB 4.41Å; F290-V413 HydrophobicContact CB-CG1 4.37Å; F290-V413 HydrophobicContact CB-CG2 4.06Å; F290-V413 HydrophobicContact CD2-CG2 3.59Å; F290-V413 HydrophobicContact CE2-CG2 4.18Å; F290-V413 HydrophobicContact CG-CG2 3.83Å; V351-V413 HydrophobicContact CB-CG2 4.34Å; V351-V413 HydrophobicContact CG1-CG2 3.88Å; I378-V413 HydrophobicContact CD1-CG2 3.94Å; I378-V413 HydrophobicContact CG1-CG2 4.16Å; L381-V413 HydrophobicContact CD2-CB 4.13Å; L381-V413 HydrophobicContact CD2-CG1 3.99Å; L381-V413 HydrophobicContact CD2-CG2 3.92Å; G409-V413 WeakPolarHBondContact O-CG2 3.48Å; G409-V413 PolarHBondContact O-N 3.19Å; V413-N415 VanDerWaalsContact C-N 3.34Å; V413-N415 PolarHBondContact O-N 3.47Å; V413-I416 PolarHBondContact O-N 3.26Å; V413-A417 WeakPolarHBondContact O-CB 3.32Å; V413-A417 PolarHBondContact O-N 3.18Å
414	A	97.8	Very high	96.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-43.2	177.8	0	0	0	0	0	111.9	L393 T410 A411 A418 T425 L507 L511	L393-A414 HydrophobicContact CD1-CB 4.13Å; T410-A414 PolarHBondContact O-N 3.24Å; A411-A414 PolarHBondContact O-N 3.11Å; A414-A418 WeakPolarHBondContact O-CB 3.32Å; A414-A418 PolarHBondContact O-N 2.94Å; A414-T425 HydrophobicContact CB-CG2 4.22Å; A414-L507 HydrophobicContact CB-CD1 3.45Å; A414-L507 VanDerWaalsContact CB-CD1 3.45Å; A414-L507 HydrophobicContact CB-CD2 4.34Å; A414-L511 HydrophobicContact CB-CB 4.5Å
415	N	97.3	Very high	96.4	Very high	77 Å²	77	34.8 Å²	34.8	41%	0.412	19%	0.19	S	C	.	.	H	α-helix	trans	-64.6	-44.7	179.6	-173.2	51.4	0	0	0	112.4	A411 Q412 V413 A418 S419 L511	A411-N415 WeakPolarHBondContact O-CB 2.91Å; A411-N415 PolarHBondContact O-N 3.04Å; Q412-N415 PolarHBondContact O-N 3.26Å; V413-N415 VanDerWaalsContact C-N 3.34Å; V413-N415 PolarHBondContact O-N 3.47Å; N415-A418 PolarHBondContact O-N 3.26Å; N415-S419 VanDerWaalsContact O-CB 3.23Å; N415-S419 WeakPolarHBondContact O-CB 3.37Å; N415-S419 PolarHBondContact O-N 3.42Å; N415-S419 PolarHBondContact O-OG 2.81Å; N415-L511 HydrophobicContact CB-CD1 3.81Å
416	I	97.8	Very high	96.6	Very high	33 Å²	33	35.2 Å²	35.2	17%	0.169	19%	0.192	C	C	.	.	H	α-helix	trans	-65.2	-45.3	179.2	-68.5	164	0	0	0	110.3	L381 P382 A385 Q412 V413 S419 I420	L381-I416 HydrophobicContact CD2-CB 4.09Å; L381-I416 HydrophobicContact CD2-CD1 4.13Å; L381-I416 HydrophobicContact CD2-CG2 4.05Å; L381-I416 HydrophobicContact CG-CB 4.49Å; L381-I416 HydrophobicContact CG-CG2 3.89Å; P382-I416 HydrophobicContact CB-CG2 4.43Å; P382-I416 HydrophobicContact CG-CD1 4.15Å; P382-I416 HydrophobicContact CG-CG2 4.13Å; A385-I416 HydrophobicContact CB-CG2 4.07Å; Q412-I416 WeakPolarHBondContact O-CB 3.44Å; Q412-I416 WeakPolarHBondContact O-CD1 3.47Å; Q412-I416 VanDerWaalsContact O-CG1 3.23Å; Q412-I416 WeakPolarHBondContact O-CG1 3.43Å; Q412-I416 PolarHBondContact O-N 3.17Å; V413-I416 PolarHBondContact O-N 3.26Å; I416-S419 PolarHBondContact O-N 3.18Å; I416-I420 HydrophobicContact CG2-CD1 3.79Å; I416-I420 HydrophobicContact CG2-CG1 4.5Å; I416-I420 WeakPolarHBondContact O-CB 3.48Å; I416-I420 WeakPolarHBondContact O-CG1 3.44Å; I416-I420 PolarHBondContact O-N 3.29Å
417	A	97.3	Very high	96.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-45.6	177.2	0	0	0	0	0	111.9	I388 V391 V413 S419 S421 H422	I388-A417 HydrophobicContact CD1-CB 4.41Å; V391-A417 HydrophobicContact CG2-CB 3.43Å; V391-A417 VanDerWaalsContact CG2-CB 3.43Å; V413-A417 WeakPolarHBondContact O-CB 3.32Å; V413-A417 PolarHBondContact O-N 3.18Å; A417-S419 VanDerWaalsContact C-N 3.32Å; A417-S419 PolarHBondContact O-N 3.33Å; A417-S421 PolarHBondContact O-N 3.29Å; A417-S421 PolarHBondContact O-OG 3.09Å; A417-H422 PolarHBondContact O-N 2.88Å; A417-H422 VanDerWaalsContact O-N 3.09Å
418	A	97	Very high	97	Very high	27 Å²	27	33.2 Å²	33.2	22%	0.223	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-36.2	177.2	0	0	0	0	0	112.8	A414 N415 H422 L511	A414-A418 WeakPolarHBondContact O-CB 3.32Å; A414-A418 PolarHBondContact O-N 2.94Å; N415-A418 PolarHBondContact O-N 3.26Å; A418-H422 WeakPolarHBondContact O-CA 3.35Å; A418-H422 PolarHBondContact O-N 3.44Å; A418-H422 PolarHBondContact O-ND1 2.75Å; A418-L511 HydrophobicContact CB-CD2 3.94Å
419	S	97	Very high	97.1	Very high	70 Å²	70	29.9 Å²	29.9	49%	0.49	17%	0.168	S	C	.	.	H	α-helix	trans	-77.6	-38.2	-177.6	-59.7	0	0	0	0	113.3	N415 I416 A417 H422	N415-S419 VanDerWaalsContact O-CB 3.23Å; N415-S419 WeakPolarHBondContact O-CB 3.37Å; N415-S419 PolarHBondContact O-N 3.42Å; N415-S419 PolarHBondContact O-OG 2.81Å; I416-S419 PolarHBondContact O-N 3.18Å; A417-S419 VanDerWaalsContact C-N 3.32Å; A417-S419 PolarHBondContact O-N 3.33Å; S419-H422 PolarHBondContact O-CE1 3.04Å
420	I	97.2	Very high	97.2	Very high	59 Å²	59	29.8 Å²	29.8	30%	0.303	17%	0.167	S	C	.	.	H	α-helix	trans	-96.3	-49.8	-172.1	-63.3	179.3	0	0	0	111.8	P382 A385 N386 I416	P382-I420 HydrophobicContact CB-CD1 3.92Å; A385-I420 HydrophobicContact CB-CB 3.97Å; A385-I420 HydrophobicContact CB-CD1 3.95Å; A385-I420 HydrophobicContact CB-CG2 3.85Å; N386-I420 WeakPolarHBondContact OD1-CG2 3.39Å; I416-I420 HydrophobicContact CG2-CD1 3.79Å; I416-I420 HydrophobicContact CG2-CG1 4.5Å; I416-I420 WeakPolarHBondContact O-CB 3.48Å; I416-I420 WeakPolarHBondContact O-CG1 3.44Å; I416-I420 PolarHBondContact O-N 3.29Å
421	S	96	Very high	97.1	Very high	27 Å²	27	30.4 Å²	30.4	19%	0.189	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-5.6	-175.5	72.8	0	0	0	0	113.8	A385 I388 A417 A423	A385-S421 VanDerWaalsContact O-CB 3.26Å; A385-S421 WeakPolarHBondContact O-CB 3.44Å; I388-S421 WeakPolarHBondContact O-CB 3.48Å; I388-S421 PolarHBondContact O-OG 3.23Å; A417-S421 PolarHBondContact O-N 3.29Å; A417-S421 PolarHBondContact O-OG 3.09Å; S421-A423 PolarHBondContact O-N 3.02Å; S421-A423 VanDerWaalsContact O-N 3.07Å; S421-A423 WeakPolarHBondContact OG-CB 3.34Å; S421-A423 PolarHBondContact OG-N 3.37Å
422	H	96.4	Very high	97.1	Very high	152 Å²	152	29.9 Å²	29.9	70%	0.704	17%	0.167	S	C	*	.			trans	53.5	26.2	-174.6	-52.3	-53.3	0	0	0	113	A417 A418 S419	A417-H422 PolarHBondContact O-N 2.88Å; A417-H422 VanDerWaalsContact O-N 3.09Å; A418-H422 WeakPolarHBondContact O-CA 3.35Å; A418-H422 PolarHBondContact O-N 3.44Å; A418-H422 PolarHBondContact O-ND1 2.75Å; S419-H422 PolarHBondContact O-CE1 3.04Å
423	A	97	Very high	97.1	Very high	7 Å²	7	26 Å²	26	6%	0.058	15%	0.148	C	C	.	.			trans	-68.7	135.2	-179.1	0	0	0	0	0	110.8	I388 V391 S421	I388-A423 HydrophobicContact CG2-CB 3.88Å; V391-A423 HydrophobicContact CG2-CB 4.13Å; S421-A423 PolarHBondContact O-N 3.02Å; S421-A423 VanDerWaalsContact O-N 3.07Å; S421-A423 WeakPolarHBondContact OG-CB 3.34Å; S421-A423 PolarHBondContact OG-N 3.37Å
424	P	97.4	Very high	97	Very high	53 Å²	53	26.1 Å²	26.1	34%	0.344	15%	0.149	S	C	.	.			trans	-63.9	142.2	172.1	26.9	-33.9	0	0	0	110.7	S389 L390 V391 T513	S389-P424 WeakPolarHBondContact O-CD 3.49Å; L390-P424 HydrophobicContact CD1-CG 3.94Å; V391-P424 PolarHBondContact N-O 3.35Å; P424-T513 VanDerWaalsContact CA-OG1 3.27Å; P424-T513 WeakPolarHBondContact CA-OG1 3.29Å; P424-T513 HydrophobicContact CB-CG2 3.92Å; P424-T513 WeakPolarHBondContact CB-OG1 3.32Å
425	T	98.1	Very high	96.7	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117.1	176.8	-62.5	0	0	0	0	110.3	V391 L393 A414 V427 L511 T513 A514	V391-T425 HydrophobicContact CB-CG2 4.28Å; V391-T425 HydrophobicContact CG1-CG2 4.28Å; L393-T425 HydrophobicContact CD1-CG2 3.62Å; L393-T425 HydrophobicContact CG-CG2 4.28Å; A414-T425 HydrophobicContact CB-CG2 4.22Å; T425-V427 HydrophobicContact CG2-CG2 4.44Å; T425-L511 VanDerWaalsContact CB-O 3.27Å; T425-L511 WeakPolarHBondContact CB-O 3.44Å; T425-T513 PolarHBondContact N-OG1 2.97Å; T425-T513 WeakPolarHBondContact O-CB 3.35Å; T425-T513 PolarHBondContact O-N 3.49Å; T425-A514 PolarHBondContact O-N 3.36Å
426	I	98.2	Very high	96.4	Very high	13 Å²	13	29.6 Å²	29.6	7%	0.067	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.1	177.8	-55.3	-59.5	0	0	0	109.1	L280 L390 V391 I392 L393 A514 V516	L280-I426 HydrophobicContact CD1-CD1 4.48Å; L280-I426 HydrophobicContact CD1-CG1 4.44Å; L280-I426 HydrophobicContact CD1-CG2 4.13Å; L390-I426 HydrophobicContact CD1-CG1 3.81Å; V391-I426 PolarHBondContact O-N 2.74Å; I392-I426 WeakPolarHBondContact CA-O 3.48Å; L393-I426 PolarHBondContact N-O 2.8Å; I426-A514 WeakPolarHBondContact CA-O 3.13Å; I426-A514 HydrophobicContact CD1-CB 4.04Å; I426-V516 HydrophobicContact CG2-CG2 3.56Å
427	V	98.2	Very high	95.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	121.7	177.8	176.5	0	0	0	0	109.4	L393 A395 V404 T425 L507 V512 A514 V515 V516	L393-V427 HydrophobicContact CB-CG2 4.46Å; L393-V427 CarbonylContact O-C 3.54Å; L393-V427 WeakPolarHBondContact O-CA 3.42Å; A395-V427 HydrophobicContact CB-CG1 3.83Å; V404-V427 HydrophobicContact CG1-CG1 3.9Å; V404-V427 HydrophobicContact CG1-CG2 4.47Å; V404-V427 HydrophobicContact CG2-CG1 4.29Å; V404-V427 HydrophobicContact CG2-CG2 4.31Å; T425-V427 HydrophobicContact CG2-CG2 4.44Å; V427-L507 HydrophobicContact CG2-CD2 4.14Å; V427-V512 HydrophobicContact CB-CG1 4.37Å; V427-V512 HydrophobicContact CG2-CG1 3.89Å; V427-V512 HydrophobicContact CG2-CG2 4.1Å; V427-A514 PolarHBondContact N-O 3.05Å; V427-V515 HydrophobicContact CB-CG2 4.45Å; V427-V515 CarbonylContact O-C 3.51Å; V427-V515 VanDerWaalsContact O-CA 3.26Å; V427-V515 WeakPolarHBondContact O-CA 3.37Å; V427-V516 PolarHBondContact O-N 3.41Å
428	C	98	Very high	95.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	120.4	175.8	-63	0	0	0	0	109.9	I273 T277 L295 L393 A395	I273-C428 HydrophobicContact CG2-CB 3.9Å; T277-C428 PolarHBondContact OG1-SG 2.9Å; T277-C428 VanDerWaalsContact OG1-SG 3.39Å; L295-C428 HydrophobicContact CD2-CB 3.77Å; L295-C428 HydrophobicContact CG-CB 4.25Å; L393-C428 PolarHBondContact O-N 3.22Å; A395-C428 PolarHBondContact N-O 3.49Å
429	A	96.6	Very high	94.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.			trans	-155.5	135.3	-179.7	0	0	0	0	0	112.2	I273 A395 L398 K433 V515 V516 T517	I273-A429 WeakPolarHBondContact CD1-O 3.27Å; A395-A429 HydrophobicContact CB-CB 3.8Å; L398-A429 HydrophobicContact CD1-CB 3.45Å; L398-A429 VanDerWaalsContact CD1-CB 3.45Å; A429-K433 HydrophobicContact CB-CD 4.5Å; A429-V515 HydrophobicContact CB-CG1 4.5Å; A429-V516 PolarHBondContact N-O 3.49Å; A429-V516 VanDerWaalsContact N-O 3.11Å; A429-T517 WeakPolarHBondContact O-CA 3.25Å; A429-T517 WeakPolarHBondContact O-CG2 3.43Å
430	E	96.8	Very high	94.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.			trans	-72	145.4	172.1	-54.2	86.3	158.3	0	0	110.7	N165 A269 I273 Y432 K433 E518	N165-E430 PolarHBondContact ND2-OE1 2.93Å; A269-E430 HydrophobicContact CB-CB 4.29Å; A269-E430 HydrophobicContact CB-CG 4.11Å; I273-E430 HydrophobicContact CD1-CB 4.32Å; I273-E430 HydrophobicContact CD1-CG 3.87Å; E430-Y432 HydrophobicContact CB-CD1 3.44Å; E430-Y432 VanDerWaalsContact CB-CD1 3.44Å; E430-Y432 HydrophobicContact CB-CE1 3.55Å; E430-Y432 HydrophobicContact CG-CD1 4.29Å; E430-Y432 HydrophobicContact CG-CE1 3.95Å; E430-Y432 PolarHBondContact O-N 3.46Å; E430-Y432 VanDerWaalsContact O-N 3.1Å; E430-K433 WeakPolarHBondContact O-CB 3.35Å; E430-K433 PolarHBondContact O-N 3.47Å; E430-K433 IonicContact OE1-NZ 3.02Å; E430-K433 WeakPolarHBondContact OE2-CD 3.19Å; E430-K433 WeakPolarHBondContact OE2-CE 3.26Å; E430-K433 IonicContact OE2-NZ 3.01Å; E430-K433 PolarHBondContact OE2-NZ 3.35Å; E430-E518 WeakPolarHBondContact CA-OE2 3.1Å
431	T	95.6	Very high	93.5	Very high	19 Å²	19	36.1 Å²	36.1	12%	0.117	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-64.1	-21.2	-176	65	0	0	0	0	114.1	K433 F434 T517 E518 K519 V530	T431-K433 PolarHBondContact O-N 3.46Å; T431-F434 HydrophobicContact CG2-CE1 4.49Å; T431-F434 HydrophobicContact CG2-CZ 4.39Å; T431-F434 VanDerWaalsContact O-CB 3.27Å; T431-F434 WeakPolarHBondContact O-CB 3.32Å; T431-F434 WeakPolarHBondContact O-CD1 3.29Å; T431-F434 WeakPolarHBondContact O-CG 3.33Å; T431-F434 PolarHBondContact O-N 3.28Å; T431-T517 HydrophobicContact CG2-CG2 4.42Å; T431-E518 VanDerWaalsContact CB-OE1 3.24Å; T431-E518 WeakPolarHBondContact CB-OE1 3.43Å; T431-E518 VanDerWaalsContact CG2-OE1 3.26Å; T431-E518 WeakPolarHBondContact CG2-OE1 3.24Å; T431-E518 PolarHBondContact N-OE1 3.17Å; T431-E518 PolarHBondContact N-OE2 3.3Å; T431-E518 PolarHBondContact OG1-OE1 3.46Å; T431-K519 HydrophobicContact CG2-CG 3.78Å; T431-V530 HydrophobicContact CG2-CG1 3.73Å
432	Y	95.3	Very high	92.7	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-70	-9.4	174.7	89.7	-76.2	0	0	0	113.6	N165 C168 T226 N229 F261 S265 I266 E430 F434	N165-Y432 PolarHBondContact OD1-OH 2.95Å; C168-Y432 HydrophobicContact CB-CE2 4.39Å; T226-Y432 HydrophobicContact CG2-CD2 4.23Å; T226-Y432 HydrophobicContact CG2-CE2 3.48Å; T226-Y432 VanDerWaalsContact CG2-CE2 3.48Å; N229-Y432 PolarHBondContact ND2-O 2.92Å; F261-Y432 HydrophobicContact CE1-CD2 4.35Å; F261-Y432 AromaticContact CZ-CD2 3.97Å; F261-Y432 HydrophobicContact CZ-CD2 3.97Å; F261-Y432 HydrophobicContact CZ-CG 4.42Å; S265-Y432 WeakPolarHBondContact O-CD1 3.38Å; I266-Y432 HydrophobicContact CD1-CE2 4.42Å; I266-Y432 HydrophobicContact CG1-CE1 3.96Å; I266-Y432 HydrophobicContact CG1-CE2 4.28Å; E430-Y432 HydrophobicContact CB-CD1 3.44Å; E430-Y432 VanDerWaalsContact CB-CD1 3.44Å; E430-Y432 HydrophobicContact CB-CE1 3.55Å; E430-Y432 HydrophobicContact CG-CD1 4.29Å; E430-Y432 HydrophobicContact CG-CE1 3.95Å; E430-Y432 PolarHBondContact O-N 3.46Å; E430-Y432 VanDerWaalsContact O-N 3.1Å; Y432-F434 VanDerWaalsContact C-N 3.31Å
433	K	96.1	Very high	92	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.026	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-84.6	-3.1	170.2	-66.3	179.8	174.6	167.9	0	113.6	S164 N165 T226 A395 A397 L398 A429 E430 T431	S164-K433 VanDerWaalsContact OG-CE 3.27Å; S164-K433 WeakPolarHBondContact OG-CE 3.21Å; S164-K433 PolarHBondContact OG-NZ 2.73Å; N165-K433 WeakPolarHBondContact OD1-CE 3.38Å; N165-K433 PolarHBondContact OD1-NZ 3.24Å; T226-K433 HydrophobicContact CG2-CG 3.71Å; A395-K433 PolarHBondContact O-NZ 3.19Å; A397-K433 VanDerWaalsContact CA-O 3.3Å; A397-K433 WeakPolarHBondContact CA-O 3.49Å; L398-K433 PolarHBondContact N-O 3.42Å; L398-K433 VanDerWaalsContact N-O 3.1Å; A429-K433 HydrophobicContact CB-CD 4.5Å; E430-K433 WeakPolarHBondContact O-CB 3.35Å; E430-K433 PolarHBondContact O-N 3.47Å; E430-K433 IonicContact OE1-NZ 3.02Å; E430-K433 WeakPolarHBondContact OE2-CD 3.19Å; E430-K433 WeakPolarHBondContact OE2-CE 3.26Å; E430-K433 IonicContact OE2-NZ 3.01Å; E430-K433 PolarHBondContact OE2-NZ 3.35Å; T431-K433 PolarHBondContact O-N 3.46Å
434	F	95.4	Very high	91.4	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.018	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	139.5	-179.5	-71.4	26.6	0	0	0	109.1	N229 L398 T431 Y432 T517 V527 V530 L531	N229-F434 PolarHBondContact ND2-O 3.26Å; L398-F434 HydrophobicContact CB-CD1 3.82Å; L398-F434 HydrophobicContact CB-CE1 4.06Å; L398-F434 HydrophobicContact CB-CG 4.29Å; L398-F434 HydrophobicContact CD1-CD1 3.85Å; L398-F434 HydrophobicContact CD1-CE1 3.29Å; L398-F434 HydrophobicContact CD1-CZ 3.94Å; L398-F434 HydrophobicContact CG-CD1 4.49Å; L398-F434 HydrophobicContact CG-CE1 4.28Å; L398-F434 CarbonylContact O-C 3.58Å; L398-F434 WeakPolarHBondContact O-CA 3.17Å; T431-F434 HydrophobicContact CG2-CE1 4.49Å; T431-F434 HydrophobicContact CG2-CZ 4.39Å; T431-F434 VanDerWaalsContact O-CB 3.27Å; T431-F434 WeakPolarHBondContact O-CB 3.32Å; T431-F434 WeakPolarHBondContact O-CD1 3.29Å; T431-F434 WeakPolarHBondContact O-CG 3.33Å; T431-F434 PolarHBondContact O-N 3.28Å; Y432-F434 VanDerWaalsContact C-N 3.31Å; F434-T517 HydrophobicContact CE1-CG2 4.09Å; F434-T517 HydrophobicContact CZ-CG2 3.77Å; F434-V527 HydrophobicContact CD2-CB 4.3Å; F434-V527 HydrophobicContact CD2-CG1 3.68Å; F434-V527 HydrophobicContact CD2-CG2 4.32Å; F434-V527 HydrophobicContact CE2-CB 4.19Å; F434-V527 HydrophobicContact CE2-CG1 4.07Å; F434-V527 HydrophobicContact CE2-CG2 3.88Å; F434-V527 HydrophobicContact CG-CG1 4.26Å; F434-V527 HydrophobicContact CZ-CG2 4.25Å; F434-V530 HydrophobicContact CD2-CB 3.85Å; F434-V530 HydrophobicContact CD2-CG1 3.73Å; F434-V530 HydrophobicContact CE2-CB 3.63Å; F434-V530 HydrophobicContact CE2-CG1 3.64Å; F434-V530 HydrophobicContact CE2-CG2 3.92Å; F434-L531 HydrophobicContact CB-CD2 3.63Å; F434-L531 HydrophobicContact CB-CG 4.12Å; F434-L531 HydrophobicContact CD2-CG 4.47Å
435	W	92.4	Very high	90.8	Very high	21 Å²	21	36.2 Å²	36.2	8%	0.08	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.9	-173.8	-157.4	23.1	0	0	0	110.8	V225 L398 L399 S400 R437 H439 Y445	V225-W435 HydrophobicContact CG1-CB 3.74Å; V225-W435 HydrophobicContact CG1-CD2 4.16Å; V225-W435 HydrophobicContact CG1-CG 3.69Å; V225-W435 HydrophobicContact CG2-CD2 3.65Å; V225-W435 HydrophobicContact CG2-CE3 3.57Å; V225-W435 HydrophobicContact CG2-CG 4.1Å; V225-W435 HydrophobicContact CG2-CH2 4.44Å; V225-W435 HydrophobicContact CG2-CZ2 4.46Å; V225-W435 HydrophobicContact CG2-CZ3 4.01Å; L398-W435 PolarHBondContact O-N 3.43Å; L399-W435 HydrophobicContact CD2-CB 4.21Å; L399-W435 HydrophobicContact CD2-CD2 4.34Å; L399-W435 HydrophobicContact CD2-CE3 3.45Å; L399-W435 VanDerWaalsContact CD2-CE3 3.45Å; L399-W435 HydrophobicContact CD2-CZ3 4.19Å; S400-W435 PolarHBondContact N-O 2.99Å; S400-W435 VanDerWaalsContact N-O 3.07Å; W435-R437 VanDerWaalsContact C-N 3.26Å; W435-R437 HydrophobicContact CD2-CB 4.08Å; W435-R437 HydrophobicContact CD2-CG 4.29Å; W435-R437 HydrophobicContact CE3-CB 4.24Å; W435-R437 HydrophobicContact CH2-CG 4.46Å; W435-R437 HydrophobicContact CZ2-CB 4.41Å; W435-R437 VanDerWaalsContact CZ2-CD 3.43Å; W435-R437 HydrophobicContact CZ2-CG 3.98Å; W435-R437 HydrophobicContact CZ3-CB 4.44Å; W435-R437 PolarHBondContact O-N 3.15Å; W435-H439 AromaticContact CZ3-CD2 3.91Å; W435-Y445 AromaticContact CH2-CD1 3.84Å; W435-Y445 HydrophobicContact CH2-CD1 3.84Å; W435-Y445 HydrophobicContact CH2-CD2 4.09Å; W435-Y445 AromaticContact CH2-CE1 3.52Å; W435-Y445 HydrophobicContact CH2-CE1 3.52Å; W435-Y445 AromaticContact CH2-CE2 3.81Å; W435-Y445 HydrophobicContact CH2-CE2 3.81Å; W435-Y445 HydrophobicContact CH2-CG 4.1Å; W435-Y445 AromaticContact CH2-CZ 3.51Å; W435-Y445 AromaticContact CZ3-CD1 3.68Å; W435-Y445 HydrophobicContact CZ3-CD1 3.68Å; W435-Y445 AromaticContact CZ3-CE1 3.53Å; W435-Y445 HydrophobicContact CZ3-CE1 3.53Å; W435-Y445 HydrophobicContact CZ3-CG 4.27Å
436	E	90.3	Very high	90.4	Very high	129 Å²	129	36.7 Å²	36.7	60%	0.603	18%	0.184	S	C	*	.	S	Bend	trans	-71.1	-22.5	-176.7	-173.1	166.2	-152.5	0	0	113.1	S400 Q535	S400-E436 WeakPolarHBondContact CB-O 3.33Å; S400-E436 PolarHBondContact OG-O 2.96Å; E436-Q535 PolarHBondContact OE1-NE2 3.48Å
437	R	87.9	Confident	90.1	Very high	131 Å²	131	36.8 Å²	36.8	49%	0.494	18%	0.184	S	C	.	.			trans	-69.7	146.8	177	-61.7	-164.4	-176.5	172.3	-4	111.5	L399 S400 W435 H439	L399-R437 WeakPolarHBondContact CB-O 3.26Å; S400-R437 PolarHBondContact N-O 3.22Å; S400-R437 VanDerWaalsContact N-O 3.17Å; S400-R437 PolarHBondContact OG-O 2.96Å; W435-R437 VanDerWaalsContact C-N 3.26Å; W435-R437 HydrophobicContact CD2-CB 4.08Å; W435-R437 HydrophobicContact CD2-CG 4.29Å; W435-R437 HydrophobicContact CE3-CB 4.24Å; W435-R437 HydrophobicContact CH2-CG 4.46Å; W435-R437 HydrophobicContact CZ2-CB 4.41Å; W435-R437 VanDerWaalsContact CZ2-CD 3.43Å; W435-R437 HydrophobicContact CZ2-CG 3.98Å; W435-R437 HydrophobicContact CZ3-CB 4.44Å; W435-R437 PolarHBondContact O-N 3.15Å; R437-H439 WeakPolarHBondContact CD-NE2 3.49Å
438	A	86.1	Confident	89.8	Confident	55 Å²	55	37.2 Å²	37.2	46%	0.455	19%	0.187	S	C	.	.			trans	-119.5	77.2	179.2	0	0	0	0	0	109.8	S400 N401	S400-A438 WeakPolarHBondContact OG-CB 3.5Å; N401-A438 HydrophobicContact CB-CB 3.88Å
439	H	85.5	Confident	89.4	Confident	29 Å²	29	37.5 Å²	37.5	13%	0.134	19%	0.189	C	C	.	.			trans	-84.2	134.5	172.6	-62.6	-57.5	0	0	0	110.1	L399 N401 W435 R437 E444	L399-H439 HydrophobicContact CD1-CB 3.91Å; L399-H439 VanDerWaalsContact CD1-O 3.29Å; L399-H439 WeakPolarHBondContact CD1-O 3.45Å; N401-H439 PolarHBondContact ND2-O 2.83Å; W435-H439 AromaticContact CZ3-CD2 3.91Å; R437-H439 WeakPolarHBondContact CD-NE2 3.49Å; H439-E444 WeakPolarHBondContact CA-OE2 3.45Å; H439-E444 HydrophobicContact CB-CB 4.47Å; H439-E444 IonicContact CE1-OE2 2.77Å; H439-E444 IonicContact CG-OE2 3.26Å; H439-E444 IonicContact ND1-OE2 3.57Å; H439-E444 PolarHBondContact ND1-OE2 3.22Å
440	S	82.3	Confident	89.2	Confident	58 Å²	58	38 Å²	38	41%	0.406	19%	0.192	S	C	.	.			trans	-90.3	-22.6	-178.2	66	0	0	0	0	112.8	Y403 E444	Y403-S440 WeakPolarHBondContact CE1-O 3.49Å; S440-E444 PolarHBondContact OG-OE1 2.96Å
441	D	83.6	Confident	88.9	Confident	52 Å²	52	38.2 Å²	38.2	28%	0.278	19%	0.193	S	C	.	.	S	Bend	trans	-145.3	172.9	-174.4	65.6	28.4	0	0	0	112.3	F443 E444	D441-F443 HydrophobicContact CB-CD2 4.12Å; D441-F443 WeakPolarHBondContact OD1-CA 3.46Å; D441-F443 WeakPolarHBondContact OD1-CB 3.42Å; D441-F443 PolarHBondContact OD1-N 3.47Å; D441-E444 WeakPolarHBondContact OD1-CG 3.49Å; D441-E444 PolarHBondContact OD1-N 3.39Å
442	A	78.9	Confident	88.7	Confident	17 Å²	17	37.3 Å²	37.3	14%	0.14	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-4.7	172.4	0	0	0	0	0	113	N446 V506	A442-N446 WeakPolarHBondContact O-CB 3.47Å; A442-V506 HydrophobicContact CB-CG2 4.18Å
443	F	83.2	Confident	88.5	Confident	82 Å²	82	37.8 Å²	37.8	36%	0.36	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-46.4	178.6	-67.4	-78	0	0	0	110.2	L120 F121 H123 D441 Y445	L120-F443 HydrophobicContact CD1-CD1 4.45Å; L120-F443 HydrophobicContact CD1-CE1 4.41Å; L120-F443 HydrophobicContact CD2-CD1 4.01Å; L120-F443 HydrophobicContact CD2-CE1 3.21Å; L120-F443 HydrophobicContact CD2-CZ 3.83Å; L120-F443 HydrophobicContact CG-CD1 3.8Å; L120-F443 HydrophobicContact CG-CE1 3.51Å; F121-F443 AromaticContact CD1-CD1 3.97Å; F121-F443 HydrophobicContact CD1-CD1 3.97Å; F121-F443 HydrophobicContact CD1-CE1 4.42Å; F121-F443 AromaticContact CE1-CD1 3.27Å; F121-F443 HydrophobicContact CE1-CD1 3.27Å; F121-F443 AromaticContact CE1-CE1 3.51Å; F121-F443 HydrophobicContact CE1-CE1 3.51Å; F121-F443 HydrophobicContact CE1-CG 4.13Å; F121-F443 HydrophobicContact CE2-CD1 4.19Å; F121-F443 AromaticContact CE2-CE1 3.69Å; F121-F443 HydrophobicContact CE2-CE1 3.69Å; F121-F443 AromaticContact CZ-CD1 3.42Å; F121-F443 HydrophobicContact CZ-CD1 3.42Å; F121-F443 VanDerWaalsContact CZ-CD1 3.42Å; F121-F443 AromaticContact CZ-CE1 3.07Å; F121-F443 HydrophobicContact CZ-CE1 3.07Å; F121-F443 HydrophobicContact CZ-CG 4.47Å; F121-F443 AromaticContact CZ-CZ 3.95Å; F121-F443 HydrophobicContact CZ-CZ 3.95Å; H123-F443 PolarHBondContact CE1-O 3.36Å; H123-F443 PolarHBondContact NE2-O 2.98Å; D441-F443 HydrophobicContact CB-CD2 4.12Å; D441-F443 WeakPolarHBondContact OD1-CA 3.46Å; D441-F443 WeakPolarHBondContact OD1-CB 3.42Å; D441-F443 PolarHBondContact OD1-N 3.47Å; F443-Y445 VanDerWaalsContact C-N 3.34Å; F443-Y445 PolarHBondContact O-N 3.06Å
444	E	83.2	Confident	88.2	Confident	92 Å²	92	39.7 Å²	39.7	43%	0.43	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-40.8	-178.2	-70	173.8	-148.6	0	0	112.5	H439 S440 D441	H439-E444 WeakPolarHBondContact CA-OE2 3.45Å; H439-E444 HydrophobicContact CB-CB 4.47Å; H439-E444 IonicContact CE1-OE2 2.77Å; H439-E444 IonicContact CG-OE2 3.26Å; H439-E444 IonicContact ND1-OE2 3.57Å; H439-E444 PolarHBondContact ND1-OE2 3.22Å; S440-E444 PolarHBondContact OG-OE1 2.96Å; D441-E444 WeakPolarHBondContact OD1-CG 3.49Å; D441-E444 PolarHBondContact OD1-N 3.39Å
445	Y	84.7	Confident	87.8	Confident	50 Å²	50	40.6 Å²	40.6	20%	0.196	20%	0.204	C	C	.	.	S	Bend	trans	-148.5	116.2	-177.3	-178.3	-96.7	0	0	0	111.5	W435 F443	W435-Y445 AromaticContact CH2-CD1 3.84Å; W435-Y445 HydrophobicContact CH2-CD1 3.84Å; W435-Y445 HydrophobicContact CH2-CD2 4.09Å; W435-Y445 AromaticContact CH2-CE1 3.52Å; W435-Y445 HydrophobicContact CH2-CE1 3.52Å; W435-Y445 AromaticContact CH2-CE2 3.81Å; W435-Y445 HydrophobicContact CH2-CE2 3.81Å; W435-Y445 HydrophobicContact CH2-CG 4.1Å; W435-Y445 AromaticContact CH2-CZ 3.51Å; W435-Y445 AromaticContact CZ3-CD1 3.68Å; W435-Y445 HydrophobicContact CZ3-CD1 3.68Å; W435-Y445 AromaticContact CZ3-CE1 3.53Å; W435-Y445 HydrophobicContact CZ3-CE1 3.53Å; W435-Y445 HydrophobicContact CZ3-CG 4.27Å; F443-Y445 VanDerWaalsContact C-N 3.34Å; F443-Y445 PolarHBondContact O-N 3.06Å
446	N	90.7	Very high	87.5	Confident	12 Å²	12	40.2 Å²	40.2	6%	0.064	20%	0.202	C	C	.	.			trans	-153.5	163.8	170.4	-150.1	-32.8	0	0	0	110.5	L124 A442 L502 Y504	L124-N446 HydrophobicContact CD1-CB 3.76Å; A442-N446 WeakPolarHBondContact O-CB 3.47Å; N446-L502 HydrophobicContact CB-CD2 4.09Å; N446-L502 WeakPolarHBondContact ND2-CD2 3.47Å; N446-Y504 PolarHBondContact ND2-O 3.37Å; N446-Y504 PolarHBondContact OD1-N 3.08Å; N446-Y504 VanDerWaalsContact OD1-N 3.08Å
447	E	90.8	Very high	87.5	Confident	15 Å²	15	34.1 Å²	34.1	7%	0.07	17%	0.174	C	C	.	.			trans	-97.2	124.1	168.3	-174.8	-166.1	150.6	0	0	108.4	R221 E503 Y504	R221-E447 IonicContact CZ-OE1 2.61Å; R221-E447 IonicContact CZ-OE2 3.1Å; R221-E447 IonicContact NE-OE1 2.74Å; R221-E447 PolarHBondContact NE-OE1 3.29Å; R221-E447 IonicContact NE-OE2 2.71Å; R221-E447 PolarHBondContact NE-OE2 3.11Å; R221-E447 IonicContact NH2-OE1 3.77Å; R221-E447 PolarHBondContact NH2-OE1 2.96Å; R221-E447 IonicContact NH2-OE2 2.93Å; E447-E503 HydrophobicContact CB-CB 4.06Å; E447-E503 HydrophobicContact CB-CG 4.31Å; E447-E503 HydrophobicContact CG-CB 4.44Å; E447-E503 HydrophobicContact CG-CG 4.17Å; E447-E503 WeakPolarHBondContact O-CB 3.3Å; E447-E503 PolarHBondContact O-N 3.27Å; E447-Y504 HydrophobicContact CB-CD2 3.86Å; E447-Y504 HydrophobicContact CB-CE2 3.55Å; E447-Y504 HydrophobicContact CG-CE2 4.44Å; E447-Y504 VanDerWaalsContact OE2-CE2 3.25Å; E447-Y504 WeakPolarHBondContact OE2-CE2 3.47Å; E447-Y504 PolarHBondContact OE2-OH 3.26Å
448	L	91.8	Very high	87.6	Confident	9 Å²	9	28.8 Å²	28.8	5%	0.047	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-89.2	113.4	173.5	-64.8	179.3	0	0	0	109.1	F121 L124 Q126 L500 H501 L502	F121-L448 HydrophobicContact CB-CD1 4.23Å; F121-L448 HydrophobicContact CB-CD2 4.5Å; L124-L448 HydrophobicContact CB-CD1 3.68Å; L124-L448 HydrophobicContact CB-CG 4.04Å; L124-L448 HydrophobicContact CD1-CD1 4.41Å; L124-L448 HydrophobicContact CD1-CD2 4.27Å; L124-L448 HydrophobicContact CD1-CG 4.18Å; Q126-L448 HydrophobicContact CB-CB 3.86Å; Q126-L448 HydrophobicContact CB-CD1 3.74Å; Q126-L448 HydrophobicContact CB-CG 4.44Å; Q126-L448 HydrophobicContact CG-CB 3.77Å; Q126-L448 HydrophobicContact CG-CD1 4.24Å; L448-L500 HydrophobicContact CD2-CD1 3.9Å; L448-H501 CarbonylContact C-O 3.57Å; L448-H501 WeakPolarHBondContact CA-O 3.29Å; L448-L502 HydrophobicContact CD2-CD2 3.52Å; L448-L502 HydrophobicContact CD2-CG 4.47Å
449	G	90.8	Very high	87.5	Confident	5 Å²	5	29.1 Å²	29.1	5%	0.052	15%	0.146	C	C	.	.			trans	-71.4	177.7	175.2	0	0	0	0	0	112	Q126 P451 H501	Q126-G449 PolarHBondContact NE2-O 3.15Å; G449-P451 WeakPolarHBondContact O-CD 3.43Å; G449-H501 PolarHBondContact N-O 2.86Å
450	D	91.3	Very high	87.4	Confident	12 Å²	12	28.7 Å²	28.7	6%	0.064	15%	0.149	C	C	.	.			trans	-64.8	119	174.3	-170.3	-16.9	0	0	0	109.3	K129 D452 D453 R456 H501	K129-D450 HydrophobicContact CB-CB 4.5Å; K129-D450 HydrophobicContact CG-CB 4.04Å; D450-D452 PolarHBondContact O-N 3.4Å; D450-D452 WeakPolarHBondContact OD1-CB 3.3Å; D450-D452 PolarHBondContact OD1-N 3.31Å; D450-D453 WeakPolarHBondContact O-CB 3.42Å; D450-D453 PolarHBondContact O-N 2.92Å; D450-R456 IonicContact OD2-CZ 3.9Å; D450-R456 IonicContact OD2-NH1 3.94Å; D450-R456 IonicContact OD2-NH2 3.81Å; D450-R456 PolarHBondContact OD2-NH2 3.14Å; D450-H501 PolarHBondContact O-ND1 2.86Å
451	P	91.7	Very high	87.3	Confident	4 Å²	4	30.9 Å²	30.9	3%	0.026	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.1	178.1	-8.5	16.2	0	0	0	112.9	G449 D453 I454 W491 L499	G449-P451 WeakPolarHBondContact O-CD 3.43Å; P451-D453 PolarHBondContact O-N 3Å; P451-I454 WeakPolarHBondContact O-CB 3.24Å; P451-I454 WeakPolarHBondContact O-CG1 3.39Å; P451-I454 PolarHBondContact O-N 2.87Å; P451-W491 HydrophobicContact CB-CH2 3.77Å; P451-W491 HydrophobicContact CB-CZ2 3.47Å; P451-W491 VanDerWaalsContact CB-CZ2 3.47Å; P451-W491 HydrophobicContact CG-CH2 3.82Å; P451-W491 HydrophobicContact CG-CZ2 3.71Å; P451-L499 HydrophobicContact CB-CB 3.61Å; P451-L499 HydrophobicContact CB-CD1 4.46Å
452	D	90.4	Very high	87.2	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.1	177.1	-70.4	-43.1	0	0	0	111.5	D450 I454 W455 R456 W491 R492	D450-D452 PolarHBondContact O-N 3.4Å; D450-D452 WeakPolarHBondContact OD1-CB 3.3Å; D450-D452 PolarHBondContact OD1-N 3.31Å; D452-I454 PolarHBondContact O-N 2.98Å; D452-I454 VanDerWaalsContact O-N 3.17Å; D452-W455 PolarHBondContact O-N 3.01Å; D452-W455 PolarHBondContact OD1-NE1 3.18Å; D452-R456 WeakPolarHBondContact O-CG 3.46Å; D452-R456 PolarHBondContact O-N 2.66Å; D452-R456 PolarHBondContact O-NH1 3.1Å; D452-W491 PolarHBondContact OD1-NE1 3.18Å; D452-R492 IonicContact OD1-CZ 3.49Å; D452-R492 IonicContact OD1-NH1 3.61Å; D452-R492 PolarHBondContact OD1-NH1 2.95Å; D452-R492 IonicContact OD1-NH2 2.66Å; D452-R492 IonicContact OD2-CZ 3.19Å; D452-R492 VanDerWaalsContact OD2-CZ 3.24Å; D452-R492 IonicContact OD2-NH1 2.72Å; D452-R492 PolarHBondContact OD2-NH1 3.33Å; D452-R492 IonicContact OD2-NH2 3.25Å; D452-R492 PolarHBondContact OD2-NH2 3.01Å
453	D	90.6	Very high	87.2	Confident	11 Å²	11	34.6 Å²	34.6	6%	0.059	19%	0.186	C	C	.	.	H	α-helix	trans	-66.2	-23.5	-175.5	-72.4	-7.4	0	0	0	110.2	P355 D450 P451 R456 G457 H501	P355-D453 HydrophobicContact CB-CB 4.11Å; P355-D453 WeakPolarHBondContact CB-O 3.41Å; P355-D453 HydrophobicContact CG-CB 3.84Å; D450-D453 WeakPolarHBondContact O-CB 3.42Å; D450-D453 PolarHBondContact O-N 2.92Å; P451-D453 PolarHBondContact O-N 3Å; D453-R456 IonicContact OD1-CZ 2.82Å; D453-R456 VanDerWaalsContact OD1-CZ 3.32Å; D453-R456 IonicContact OD1-NH1 3.89Å; D453-R456 PolarHBondContact OD1-NH1 3.49Å; D453-R456 IonicContact OD1-NH2 3.63Å; D453-R456 PolarHBondContact OD1-NH2 3.33Å; D453-G457 WeakPolarHBondContact CA-O 3.21Å; D453-G457 WeakPolarHBondContact O-CA 3.38Å; D453-G457 PolarHBondContact O-N 2.95Å; D453-H501 IonicContact OD2-CE1 3.27Å; D453-H501 IonicContact OD2-ND1 2.77Å
454	I	90	Very high	87.3	Confident	46 Å²	46	33.4 Å²	33.4	24%	0.236	18%	0.184	C	C	.	.	H	α-helix	trans	-63	-44	178.3	-57.4	178.9	0	0	0	111	R354 P451 D452 L499 L500 H501	R354-I454 PolarHBondContact NH2-O 2.78Å; P451-I454 WeakPolarHBondContact O-CB 3.24Å; P451-I454 WeakPolarHBondContact O-CG1 3.39Å; P451-I454 PolarHBondContact O-N 2.87Å; D452-I454 PolarHBondContact O-N 2.98Å; D452-I454 VanDerWaalsContact O-N 3.17Å; I454-L499 HydrophobicContact CD1-CB 4.01Å; I454-L500 WeakPolarHBondContact CD1-O 3.45Å; I454-H501 HydrophobicContact CD1-CB 4.11Å; I454-H501 HydrophobicContact CG1-CB 4.13Å
455	W	87.2	Confident	87.3	Confident	23 Å²	23	32.4 Å²	32.4	9%	0.087	18%	0.177	C	C	.	.	H	α-helix	trans	-98.9	-29.1	-174.3	71.7	-96.8	0	0	0	113.3	D452 K466 P474 L488 W491	D452-W455 PolarHBondContact O-N 3.01Å; D452-W455 PolarHBondContact OD1-NE1 3.18Å; W455-K466 HydrophobicContact CH2-CB 4.15Å; W455-K466 HydrophobicContact CH2-CG 4.47Å; W455-P474 VanDerWaalsContact O-CD 3.25Å; W455-P474 WeakPolarHBondContact O-CD 3.47Å; W455-P474 WeakPolarHBondContact O-CG 3.48Å; W455-L488 HydrophobicContact CB-CB 3.85Å; W455-L488 HydrophobicContact CB-CD1 4.03Å; W455-L488 HydrophobicContact CB-CG 4.45Å; W455-L488 HydrophobicContact CD2-CB 4.35Å; W455-L488 HydrophobicContact CG-CB 3.86Å; W455-W491 AromaticContact NE1-CD1 3.89Å; W455-W491 AromaticContact NE1-NE1 4Å
456	R	86.9	Confident	87.2	Confident	12 Å²	12	33.6 Å²	33.6	5%	0.045	18%	0.183	C	C	.	.	H	α-helix	trans	-102.4	-16.2	179.8	86.3	-162.5	-177.6	-59.2	10.7	114.4	D450 D452 D453 Y465	D450-R456 IonicContact OD2-CZ 3.9Å; D450-R456 IonicContact OD2-NH1 3.94Å; D450-R456 IonicContact OD2-NH2 3.81Å; D450-R456 PolarHBondContact OD2-NH2 3.14Å; D452-R456 WeakPolarHBondContact O-CG 3.46Å; D452-R456 PolarHBondContact O-N 2.66Å; D452-R456 PolarHBondContact O-NH1 3.1Å; D453-R456 IonicContact OD1-CZ 2.82Å; D453-R456 VanDerWaalsContact OD1-CZ 3.32Å; D453-R456 IonicContact OD1-NH1 3.89Å; D453-R456 PolarHBondContact OD1-NH1 3.49Å; D453-R456 IonicContact OD1-NH2 3.63Å; D453-R456 PolarHBondContact OD1-NH2 3.33Å; R456-Y465 WeakPolarHBondContact CD-O 3.47Å; R456-Y465 PolarHBondContact NE-O 3.4Å
457	G	88.9	Confident	86.9	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.01	21%	0.206	C	C	.	.			trans	81	-178.8	-162.4	0	0	0	0	0	112.2	D453 F472	D453-G457 WeakPolarHBondContact CA-O 3.21Å; D453-G457 WeakPolarHBondContact O-CA 3.38Å; D453-G457 PolarHBondContact O-N 2.95Å; G457-F472 VanDerWaalsContact CA-O 3.3Å; G457-F472 WeakPolarHBondContact CA-O 3.48Å
458	P	90	Very high	86.6	Confident	19 Å²	19	39.4 Å²	39.4	12%	0.123	21%	0.213	C	C	.	.			trans	-61.5	139.1	179.5	-19.1	33.1	0	0	0	110.9	P355 K356 G460 G468 I469 F472	P355-P458 WeakPolarHBondContact O-CD 3.47Å; K356-P458 HydrophobicContact CB-CG 4.49Å; K356-P458 HydrophobicContact CG-CG 3.94Å; P458-G460 VanDerWaalsContact C-N 3.32Å; P458-G460 PolarHBondContact O-N 2.96Å; P458-G468 CarbonylContact O-C 3.59Å; P458-G468 VanDerWaalsContact O-CA 3.29Å; P458-G468 WeakPolarHBondContact O-CA 3.17Å; P458-I469 HydrophobicContact CB-CD1 4.15Å; P458-I469 WeakPolarHBondContact O-CG1 3.42Å; P458-I469 PolarHBondContact O-N 2.96Å; P458-F472 HydrophobicContact CG-CB 4.47Å; P458-F472 HydrophobicContact CG-CD1 4.45Å
459	R	85.4	Confident	86.3	Confident	62 Å²	62	41.7 Å²	41.7	23%	0.234	23%	0.225	C	C	.	.			trans	-62.9	-33	-179	-163.4	173.8	169.7	-177.8	-2.6	114.5	K129 S462 P463	K129-R459 PolarHBondContact O-NH1 3.25Å; R459-S462 PolarHBondContact NE-O 3.15Å; R459-S462 PolarHBondContact NH2-O 3.43Å; R459-P463 PolarHBondContact NH2-O 3.4Å
460	G	82.9	Confident	86	Confident	20 Å²	20	46 Å²	46	21%	0.206	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	-140.4	-165.1	0	0	0	0	0	111.5	P458	P458-G460 VanDerWaalsContact C-N 3.32Å; P458-G460 PolarHBondContact O-N 2.96Å
461	T	80	Confident	85.7	Confident	105 Å²	105	45.7 Å²	45.7	64%	0.644	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	11.2	-177.4	61.6	0	0	0	0	113.6
462	S	81.5	Confident	85.4	Confident	27 Å²	27	48 Å²	48	19%	0.189	26%	0.261	C	S	.	.			trans	-68.7	128.1	-177.8	175	0	0	0	0	111	R459 D464	R459-S462 PolarHBondContact NE-O 3.15Å; R459-S462 PolarHBondContact NH2-O 3.43Å; S462-D464 PolarHBondContact O-N 2.88Å; S462-D464 PolarHBondContact OG-N 3.07Å; S462-D464 PolarHBondContact OG-O 3.37Å
463	P	79.7	Confident	85	Confident	119 Å²	119	48.1 Å²	48.1	77%	0.773	26%	0.263	S	S	*	.	S	Bend	trans	-68.6	-27.3	172.8	29	-34.2	0	0	0	111.8	R459 Y465	R459-P463 PolarHBondContact NH2-O 3.4Å; P463-Y465 PolarHBondContact O-N 3.16Å
464	D	84.7	Confident	84.3	Confident	58 Å²	58	49.7 Å²	49.7	31%	0.31	27%	0.274	S	S	.	.	S	Bend	trans	-77.8	117.9	173.9	-176	-2.1	0	0	0	109.8	S462 K466 K467	S462-D464 PolarHBondContact O-N 2.88Å; S462-D464 PolarHBondContact OG-N 3.07Å; S462-D464 PolarHBondContact OG-O 3.37Å; D464-K466 PolarHBondContact O-N 2.95Å; D464-K466 WeakPolarHBondContact OD1-CB 3.05Å; D464-K466 PolarHBondContact OD1-N 3.32Å; D464-K467 HydrophobicContact CB-CB 4.44Å; D464-K467 HydrophobicContact CB-CD 4.17Å; D464-K467 HydrophobicContact CB-CG 4.22Å; D464-K467 PolarHBondContact O-N 3.33Å; D464-K467 WeakPolarHBondContact OD2-CE 3.18Å
465	Y	82.6	Confident	83.6	Confident	70 Å²	70	51.3 Å²	51.3	28%	0.275	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-18	179.5	75.8	-87	0	0	0	112.7	R130 R456 P463 K467	R130-Y465 HydrophobicContact CG-CG 4.19Å; R456-Y465 WeakPolarHBondContact CD-O 3.47Å; R456-Y465 PolarHBondContact NE-O 3.4Å; P463-Y465 PolarHBondContact O-N 3.16Å; Y465-K467 VanDerWaalsContact C-N 3.34Å
466	K	83.6	Confident	82.8	Confident	75 Å²	75	50.7 Å²	50.7	33%	0.326	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-15.2	177.9	-62.8	-165.9	178.7	-154.9	0	113.3	W455 D464 S489	W455-K466 HydrophobicContact CH2-CB 4.15Å; W455-K466 HydrophobicContact CH2-CG 4.47Å; D464-K466 PolarHBondContact O-N 2.95Å; D464-K466 WeakPolarHBondContact OD1-CB 3.05Å; D464-K466 PolarHBondContact OD1-N 3.32Å; K466-S489 PolarHBondContact NZ-OG 3.34Å
467	K	83.6	Confident	82.1	Confident	128 Å²	128	55 Å²	55	56%	0.557	31%	0.31	S	S	*	.			trans	-99.4	121.5	-177.2	-66.4	-178.3	-176.3	-178.7	0	110.8	D464 Y465	D464-K467 HydrophobicContact CB-CB 4.44Å; D464-K467 HydrophobicContact CB-CD 4.17Å; D464-K467 HydrophobicContact CB-CG 4.22Å; D464-K467 PolarHBondContact O-N 3.33Å; D464-K467 WeakPolarHBondContact OD2-CE 3.18Å; Y465-K467 VanDerWaalsContact C-N 3.34Å
468	G	84.7	Confident	81.2	Confident	21 Å²	21	59.4 Å²	59.4	22%	0.216	34%	0.338	C	S	.	.			trans	-93	177.7	170.8	0	0	0	0	0	112.7	P458	P458-G468 CarbonylContact O-C 3.59Å; P458-G468 VanDerWaalsContact O-CA 3.29Å; P458-G468 WeakPolarHBondContact O-CA 3.17Å
469	I	86.1	Confident	80	Confident	58 Å²	58	63.3 Å²	63.3	30%	0.297	36%	0.358	S	S	.	.			trans	-69.3	127.9	171.5	-59.3	169.2	0	0	0	108.9	P458 G471 F472	P458-I469 HydrophobicContact CB-CD1 4.15Å; P458-I469 WeakPolarHBondContact O-CG1 3.42Å; P458-I469 PolarHBondContact O-N 2.96Å; I469-G471 PolarHBondContact O-N 3.33Å; I469-F472 HydrophobicContact CB-CD2 3.79Å; I469-F472 HydrophobicContact CB-CE2 4.4Å; I469-F472 HydrophobicContact CB-CG 4.38Å; I469-F472 HydrophobicContact CG2-CD2 3.49Å; I469-F472 VanDerWaalsContact CG2-CD2 3.49Å; I469-F472 HydrophobicContact CG2-CE2 3.69Å; I469-F472 PolarHBondContact O-N 3.01Å; I469-F472 VanDerWaalsContact O-N 3.07Å
470	P	83.9	Confident	78.7	Confident	95 Å²	95	70.3 Å²	70.3	62%	0.617	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	131.5	177	-27.1	34.8	0	0	0	112
471	G	84.3	Confident	77.4	Confident	6 Å²	6	77.8 Å²	77.8	6%	0.062	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	-3.7	-178.1	0	0	0	0	0	115.5	R360 I469 G476 L477	R360-G471 PolarHBondContact NH1-O 3.03Å; R360-G471 PolarHBondContact NH2-O 3.4Å; I469-G471 PolarHBondContact O-N 3.33Å; G471-G476 CarbonylContact O-C 3.58Å; G471-G476 VanDerWaalsContact O-CA 3.3Å; G471-G476 WeakPolarHBondContact O-CA 3.48Å; G471-L477 WeakPolarHBondContact CA-O 3.37Å
472	F	86.5	Confident	76	Confident	51 Å²	51	81 Å²	81	22%	0.224	43%	0.426	C	S	.	.			trans	-109.9	3.8	176.3	-66	-102.7	0	0	0	113.4	K356 F357 G457 P458 I469	K356-F472 WeakPolarHBondContact O-CD1 3.46Å; K356-F472 WeakPolarHBondContact O-CE1 3.49Å; F357-F472 HydrophobicContact CB-CD1 4.09Å; F357-F472 HydrophobicContact CB-CE1 4.01Å; F357-F472 HydrophobicContact CD2-CB 4.47Å; F357-F472 AromaticContact CD2-CD1 3.86Å; F357-F472 HydrophobicContact CD2-CD1 3.86Å; F357-F472 HydrophobicContact CD2-CG 4.47Å; F357-F472 HydrophobicContact CG-CD1 4.49Å; G457-F472 VanDerWaalsContact CA-O 3.3Å; G457-F472 WeakPolarHBondContact CA-O 3.48Å; P458-F472 HydrophobicContact CG-CB 4.47Å; P458-F472 HydrophobicContact CG-CD1 4.45Å; I469-F472 HydrophobicContact CB-CD2 3.79Å; I469-F472 HydrophobicContact CB-CE2 4.4Å; I469-F472 HydrophobicContact CB-CG 4.38Å; I469-F472 HydrophobicContact CG2-CD2 3.49Å; I469-F472 VanDerWaalsContact CG2-CD2 3.49Å; I469-F472 HydrophobicContact CG2-CE2 3.69Å; I469-F472 PolarHBondContact O-N 3.01Å; I469-F472 VanDerWaalsContact O-N 3.07Å
473	G	82	Confident	74.6	Confident	4 Å²	4	82.1 Å²	82.1	4%	0.041	43%	0.434	C	S	.	.	S	Bend	trans	-64.4	-173.6	175.9	0	0	0	0	0	113.6	T475 G476	G473-T475 PolarHBondContact O-N 3.23Å; G473-G476 PolarHBondContact O-N 2.71Å
474	P	76.3	Confident	73.2	Confident	44 Å²	44	83.1 Å²	83.1	29%	0.286	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-35	-173.9	-28.5	35.1	0	0	0	114.9	R354 W455 T485	R354-P474 PolarHBondContact NH1-O 3.37Å; W455-P474 VanDerWaalsContact O-CD 3.25Å; W455-P474 WeakPolarHBondContact O-CD 3.47Å; W455-P474 WeakPolarHBondContact O-CG 3.48Å; P474-T485 HydrophobicContact CG-CG2 4.2Å
475	T	74.2	Confident	71.8	Confident	80 Å²	80	83 Å²	83	49%	0.491	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-15.4	180	60.6	0	0	0	0	112.7	G473 L477	G473-T475 PolarHBondContact O-N 3.23Å; T475-L477 PolarHBondContact O-N 3.07Å; T475-L477 PolarHBondContact OG1-N 3.26Å
476	G	70.8	Confident	70.7	Confident	9 Å²	9	85.2 Å²	85.2	9%	0.093	46%	0.46	C	S	.	.	S	Bend	trans	63.8	11.6	-170.6	0	0	0	0	0	114	R360 G471 G473	R360-G476 PolarHBondContact NH2-O 2.94Å; G471-G476 CarbonylContact O-C 3.58Å; G471-G476 VanDerWaalsContact O-CA 3.3Å; G471-G476 WeakPolarHBondContact O-CA 3.48Å; G473-G476 PolarHBondContact O-N 2.71Å
477	L	72.1	Confident	70.1	Confident	104 Å²	104	86.5 Å²	86.5	55%	0.545	47%	0.471	S	S	.	.	S	Bend	trans	-102.8	152	177.2	-65.3	172.8	0	0	0	109.6	G471 T475 D479	G471-L477 WeakPolarHBondContact CA-O 3.37Å; T475-L477 PolarHBondContact O-N 3.07Å; T475-L477 PolarHBondContact OG1-N 3.26Å; L477-D479 PolarHBondContact O-N 3Å
478	P	70.3	Confident	70.1	Confident	92 Å²	92	83.5 Å²	83.5	60%	0.597	46%	0.461	S	S	*	.			trans	-54.3	136.7	169.2	-18.7	29.9	0	0	0	108.9	R480	P478-R480 PolarHBondContact O-N 3.26Å
479	D	64.6	Low	70.1	Confident	102 Å²	102	82.8 Å²	82.8	55%	0.545	45%	0.452	S	S	.	.			trans	-54.2	107.3	179.9	-62.6	-28.7	0	0	0	108.5	L477	L477-D479 PolarHBondContact O-N 3Å
480	R	58	Low	70.1	Confident	208 Å²	208	86.3 Å²	86.3	79%	0.785	47%	0.467	S	S	*	.			trans	-68.5	138.6	164.5	-72	-173.7	175.4	-170	-1	105.3	P478 E482 S483	P478-R480 PolarHBondContact O-N 3.26Å; R480-E482 PolarHBondContact O-N 2.9Å; R480-S483 PolarHBondContact O-N 3.38Å
481	I	55.8	Low	70.4	Confident	177 Å²	177	81.9 Å²	81.9	91%	0.908	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	-12.8	-169.8	-66.2	166.8	0	0	0	114.5
482	E	50.7	Low	70.6	Confident	173 Å²	173	83.1 Å²	83.1	81%	0.808	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.9	17.5	-176.1	-62.3	176.8	162.7	0	0	114.5	R480 T484	R480-E482 PolarHBondContact O-N 2.9Å; E482-T484 PolarHBondContact O-N 3.5Å
483	S	51.4	Low	70.8	Confident	50 Å²	50	84.9 Å²	84.9	35%	0.35	46%	0.459	S	S	.	.			trans	-70.1	102.5	176.3	74.1	0	0	0	0	109.8	R480 T485	R480-S483 PolarHBondContact O-N 3.38Å; S483-T485 PolarHBondContact O-N 3.14Å
484	T	51	Low	71.2	Confident	141 Å²	141	88.3 Å²	88.3	87%	0.865	48%	0.477	S	S	*	.			trans	-64.7	65.5	167.3	55	0	0	0	0	109.5	E482 T486	E482-T484 PolarHBondContact O-N 3.5Å; T484-T486 PolarHBondContact O-N 3.39Å
485	T	55.9	Low	71.8	Confident	54 Å²	54	92.7 Å²	92.7	33%	0.331	50%	0.498	S	S	.	.			trans	-62.8	131.1	165.8	52.1	0	0	0	0	106.4	P474 S483 D487	P474-T485 HydrophobicContact CG-CG2 4.2Å; S483-T485 PolarHBondContact O-N 3.14Å; T485-D487 PolarHBondContact O-N 3.34Å
486	T	59	Low	72.5	Confident	118 Å²	118	94.6 Å²	94.6	72%	0.724	51%	0.514	S	S	*	.			trans	-46.1	109.4	173.7	17.7	0	0	0	0	108.9	T484 L488	T484-T486 PolarHBondContact O-N 3.39Å; T486-L488 PolarHBondContact O-N 3.45Å
487	D	70.6	Confident	73.5	Confident	101 Å²	101	96.5 Å²	96.5	54%	0.54	52%	0.522	S	S	.	.			trans	-72.4	85.6	-179.7	-175.7	9.9	0	0	0	108	T485 S489	T485-D487 PolarHBondContact O-N 3.34Å; D487-S489 PolarHBondContact O-N 3.03Å; D487-S489 WeakPolarHBondContact OD1-CA 3.46Å; D487-S489 WeakPolarHBondContact OD1-CB 3.46Å; D487-S489 PolarHBondContact OD1-N 3.3Å; D487-S489 PolarHBondContact OD1-OG 3.42Å; D487-S489 PolarHBondContact OD2-OG 2.59Å; D487-S489 VanDerWaalsContact OD2-OG 3.06Å
488	L	83.6	Confident	74.4	Confident	66 Å²	66	96.1 Å²	96.1	35%	0.346	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-77.3	10.1	171.8	-67.6	176.3	0	0	0	110.9	W455 T486 E490 W491 L497	W455-L488 HydrophobicContact CB-CB 3.85Å; W455-L488 HydrophobicContact CB-CD1 4.03Å; W455-L488 HydrophobicContact CB-CG 4.45Å; W455-L488 HydrophobicContact CD2-CB 4.35Å; W455-L488 HydrophobicContact CG-CB 3.86Å; T486-L488 PolarHBondContact O-N 3.45Å; L488-E490 PolarHBondContact O-N 3.05Å; L488-W491 VanDerWaalsContact O-CB 3.24Å; L488-W491 WeakPolarHBondContact O-CB 3.47Å; L488-W491 PolarHBondContact O-N 2.77Å; L488-L497 HydrophobicContact CD2-CD2 4.13Å
489	S	84.2	Confident	75.5	Confident	6 Å²	6	92.6 Å²	92.6	4%	0.042	49%	0.49	C	S	.	.	G	3₁₀ helix	trans	-57.8	-25.9	-178.1	68.3	0	0	0	0	113.6	K466 D487 W491	K466-S489 PolarHBondContact NZ-OG 3.34Å; D487-S489 PolarHBondContact O-N 3.03Å; D487-S489 WeakPolarHBondContact OD1-CA 3.46Å; D487-S489 WeakPolarHBondContact OD1-CB 3.46Å; D487-S489 PolarHBondContact OD1-N 3.3Å; D487-S489 PolarHBondContact OD1-OG 3.42Å; D487-S489 PolarHBondContact OD2-OG 2.59Å; D487-S489 VanDerWaalsContact OD2-OG 3.06Å; S489-W491 VanDerWaalsContact C-N 3.34Å
490	E	86.4	Confident	76.8	Confident	131 Å²	131	90.7 Å²	90.7	61%	0.612	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-90.2	12.7	177.2	-57.5	-166.9	168.4	0	0	113.7	L488 R492 S493	L488-E490 PolarHBondContact O-N 3.05Å; E490-R492 PolarHBondContact O-N 3.48Å; E490-S493 PolarHBondContact O-N 3.37Å; E490-S493 PolarHBondContact O-OG 3.04Å
491	W	90.2	Very high	78.5	Confident	3 Å²	3	81.5 Å²	81.5	1%	0.011	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-26.4	-178.5	71.9	-89.3	0	0	0	114	E114 C116 P451 D452 W455 L488 S489 N494 L497 L499	E114-W491 HydrophobicContact CG-CH2 4.28Å; C116-W491 HydrophobicContact CB-CE3 4.48Å; C116-W491 HydrophobicContact CB-CH2 4.16Å; C116-W491 HydrophobicContact CB-CZ3 3.72Å; C116-W491 WeakPolarHBondContact O-CH2 3.49Å; C116-W491 VanDerWaalsContact O-CZ3 3.3Å; C116-W491 WeakPolarHBondContact O-CZ3 3.44Å; P451-W491 HydrophobicContact CB-CH2 3.77Å; P451-W491 HydrophobicContact CB-CZ2 3.47Å; P451-W491 VanDerWaalsContact CB-CZ2 3.47Å; P451-W491 HydrophobicContact CG-CH2 3.82Å; P451-W491 HydrophobicContact CG-CZ2 3.71Å; D452-W491 PolarHBondContact OD1-NE1 3.18Å; W455-W491 AromaticContact NE1-CD1 3.89Å; W455-W491 AromaticContact NE1-NE1 4Å; L488-W491 VanDerWaalsContact O-CB 3.24Å; L488-W491 WeakPolarHBondContact O-CB 3.47Å; L488-W491 PolarHBondContact O-N 2.77Å; S489-W491 VanDerWaalsContact C-N 3.34Å; W491-N494 PolarHBondContact O-N 3.29Å; W491-L497 HydrophobicContact CB-CD2 3.56Å; W491-L497 HydrophobicContact CB-CG 4.16Å; W491-L499 HydrophobicContact CB-CD1 4.26Å; W491-L499 HydrophobicContact CB-CG 4.48Å; W491-L499 HydrophobicContact CD2-CB 4.31Å; W491-L499 HydrophobicContact CD2-CD1 3.59Å; W491-L499 HydrophobicContact CD2-CG 3.7Å; W491-L499 HydrophobicContact CE3-CB 4.16Å; W491-L499 HydrophobicContact CE3-CD1 4.22Å; W491-L499 HydrophobicContact CE3-CG 3.8Å; W491-L499 HydrophobicContact CG-CD1 3.6Å; W491-L499 HydrophobicContact CG-CG 4.03Å; W491-L499 HydrophobicContact CH2-CB 4.27Å; W491-L499 HydrophobicContact CZ2-CB 4.42Å; W491-L499 HydrophobicContact CZ2-CD1 4.4Å; W491-L499 HydrophobicContact CZ3-CB 4.13Å; W491-L499 HydrophobicContact CZ3-CG 4.29Å
492	R	89.4	Confident	80.3	Confident	32 Å²	32	74.2 Å²	74.2	12%	0.121	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-28.7	178.8	-67.7	-178	175.8	82.2	-5.2	114.1	E114 C116 R130 D452 E490 N494	E114-R492 WeakPolarHBondContact OE1-CD 3.41Å; E114-R492 IonicContact OE1-NE 3.36Å; E114-R492 PolarHBondContact OE1-NE 3.22Å; E114-R492 IonicContact OE2-CZ 3.3Å; E114-R492 VanDerWaalsContact OE2-CZ 3.26Å; E114-R492 IonicContact OE2-NE 3.56Å; E114-R492 PolarHBondContact OE2-NE 3.42Å; E114-R492 IonicContact OE2-NH2 2.82Å; E114-R492 PolarHBondContact OE2-NH2 2.81Å; C116-R492 HydrophobicContact CB-CG 4.38Å; R130-R492 VanDerWaalsContact CZ-CD 3.49Å; R130-R492 VanDerWaalsContact NH1-CD 3.25Å; D452-R492 IonicContact OD1-CZ 3.49Å; D452-R492 IonicContact OD1-NH1 3.61Å; D452-R492 PolarHBondContact OD1-NH1 2.95Å; D452-R492 IonicContact OD1-NH2 2.66Å; D452-R492 IonicContact OD2-CZ 3.19Å; D452-R492 VanDerWaalsContact OD2-CZ 3.24Å; D452-R492 IonicContact OD2-NH1 2.72Å; D452-R492 PolarHBondContact OD2-NH1 3.33Å; D452-R492 IonicContact OD2-NH2 3.25Å; D452-R492 PolarHBondContact OD2-NH2 3.01Å; E490-R492 PolarHBondContact O-N 3.48Å; R492-N494 VanDerWaalsContact C-N 3.26Å
493	S	90.3	Very high	82.3	Confident	87 Å²	87	66.3 Å²	66.3	61%	0.608	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-16.8	174.5	63.3	0	0	0	0	111.7	E490 N495	E490-S493 PolarHBondContact O-N 3.37Å; E490-S493 PolarHBondContact O-OG 3.04Å; S493-N495 PolarHBondContact O-N 3.11Å
494	N	90.2	Very high	84.3	Confident	76 Å²	76	64.3 Å²	64.3	41%	0.406	36%	0.356	S	S	.	.			trans	-83.7	106.8	178.6	-170.9	-23.8	0	0	0	111.6	W491 R492 S496 L497 R498	W491-N494 PolarHBondContact O-N 3.29Å; R492-N494 VanDerWaalsContact C-N 3.26Å; N494-S496 PolarHBondContact O-N 3.34Å; N494-S496 VanDerWaalsContact O-N 3.07Å; N494-S496 WeakPolarHBondContact OD1-CB 3.41Å; N494-S496 PolarHBondContact OD1-N 3.03Å; N494-L497 HydrophobicContact CB-CB 4.08Å; N494-L497 PolarHBondContact O-N 2.95Å; N494-R498 PolarHBondContact O-NH1 3.01Å
495	N	88.1	Confident	86.3	Confident	137 Å²	137	58.8 Å²	58.8	73%	0.733	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.2	178.9	-73	-15.5	0	0	0	114.3	S493 R498	S493-N495 PolarHBondContact O-N 3.11Å; N495-R498 VanDerWaalsContact C-NH1 3.32Å; N495-R498 VanDerWaalsContact O-CZ 3.3Å; N495-R498 PolarHBondContact O-NH1 3.02Å; N495-R498 PolarHBondContact O-NH2 3.31Å
496	S	90.7	Very high	88.1	Confident	119 Å²	119	56.9 Å²	56.9	83%	0.832	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-9.1	-178.8	-56.1	0	0	0	0	114.2	N494	N494-S496 PolarHBondContact O-N 3.34Å; N494-S496 VanDerWaalsContact O-N 3.07Å; N494-S496 WeakPolarHBondContact OD1-CB 3.41Å; N494-S496 PolarHBondContact OD1-N 3.03Å
497	L	91.1	Very high	89.8	Confident	50 Å²	50	51.2 Å²	51.2	26%	0.262	28%	0.275	S	S	.	.			trans	-112.5	129.7	-176.8	-179.1	58.4	0	0	0	111.6	L488 W491 N494 L499	L488-L497 HydrophobicContact CD2-CD2 4.13Å; W491-L497 HydrophobicContact CB-CD2 3.56Å; W491-L497 HydrophobicContact CB-CG 4.16Å; N494-L497 HydrophobicContact CB-CB 4.08Å; N494-L497 PolarHBondContact O-N 2.95Å; L497-L499 HydrophobicContact CD1-CD2 4.17Å; L497-L499 HydrophobicContact CG-CD2 4.43Å
498	R	91.7	Very high	91	Very high	96 Å²	96	48 Å²	48	36%	0.362	26%	0.259	S	S	.	.			trans	-132.1	133.4	173.2	-58.6	-66.7	176.3	-82.2	-6.2	109	C116 V118 N494 N495	C116-R498 WeakPolarHBondContact SG-CD 2.86Å; C116-R498 PolarHBondContact SG-NE 3.22Å; C116-R498 PolarHBondContact SG-NH1 3.4Å; V118-R498 HydrophobicContact CG2-CB 3.62Å; N494-R498 PolarHBondContact O-NH1 3.01Å; N495-R498 VanDerWaalsContact C-NH1 3.32Å; N495-R498 VanDerWaalsContact O-CZ 3.3Å; N495-R498 PolarHBondContact O-NH1 3.02Å; N495-R498 PolarHBondContact O-NH2 3.31Å
499	L	92.1	Very high	91.6	Very high	18 Å²	18	46.4 Å²	46.4	9%	0.094	25%	0.253	C	S	.	.			trans	-102.1	137	179.1	-65	-170.2	0	0	0	110.2	P451 I454 W491 L497	P451-L499 HydrophobicContact CB-CB 3.61Å; P451-L499 HydrophobicContact CB-CD1 4.46Å; I454-L499 HydrophobicContact CD1-CB 4.01Å; W491-L499 HydrophobicContact CB-CD1 4.26Å; W491-L499 HydrophobicContact CB-CG 4.48Å; W491-L499 HydrophobicContact CD2-CB 4.31Å; W491-L499 HydrophobicContact CD2-CD1 3.59Å; W491-L499 HydrophobicContact CD2-CG 3.7Å; W491-L499 HydrophobicContact CE3-CB 4.16Å; W491-L499 HydrophobicContact CE3-CD1 4.22Å; W491-L499 HydrophobicContact CE3-CG 3.8Å; W491-L499 HydrophobicContact CG-CD1 3.6Å; W491-L499 HydrophobicContact CG-CG 4.03Å; W491-L499 HydrophobicContact CH2-CB 4.27Å; W491-L499 HydrophobicContact CZ2-CB 4.42Å; W491-L499 HydrophobicContact CZ2-CD1 4.4Å; W491-L499 HydrophobicContact CZ3-CB 4.13Å; W491-L499 HydrophobicContact CZ3-CG 4.29Å; L497-L499 HydrophobicContact CD1-CD2 4.17Å; L497-L499 HydrophobicContact CG-CD2 4.43Å
500	L	92.5	Very high	92.1	Very high	62 Å²	62	52.1 Å²	52.1	33%	0.325	29%	0.288	S	S	.	.			trans	-121.2	118.5	178.7	-177.3	63.5	0	0	0	110.4	V118 F121 L448 I454 L502	V118-L500 HydrophobicContact CB-CD1 4.41Å; V118-L500 HydrophobicContact CG2-CB 3.94Å; V118-L500 HydrophobicContact CG2-CD1 4.49Å; F121-L500 HydrophobicContact CB-CD1 4.38Å; F121-L500 HydrophobicContact CD2-CD1 3.63Å; F121-L500 HydrophobicContact CD2-CD2 3.82Å; F121-L500 HydrophobicContact CD2-CG 4.4Å; F121-L500 HydrophobicContact CE2-CD1 4.03Å; F121-L500 HydrophobicContact CE2-CD2 3.37Å; F121-L500 HydrophobicContact CE2-CG 4.35Å; F121-L500 HydrophobicContact CG-CD1 4.04Å; F121-L500 HydrophobicContact CZ-CD2 4.03Å; L448-L500 HydrophobicContact CD2-CD1 3.9Å; I454-L500 WeakPolarHBondContact CD1-O 3.45Å; L500-L502 HydrophobicContact CD1-CD2 4.26Å; L500-L502 HydrophobicContact CD1-CG 4.23Å; L500-L502 HydrophobicContact CD2-CD1 4.11Å; L500-L502 HydrophobicContact CD2-CG 4.27Å; L500-L502 HydrophobicContact CG-CD1 4.48Å; L500-L502 HydrophobicContact CG-CG 4.11Å
501	H	93.1	Very high	92.6	Very high	14 Å²	14	47.5 Å²	47.5	7%	0.065	27%	0.267	C	S	.	.			trans	-121.5	99.4	174.8	-175	-166.1	0	0	0	109	L448 G449 D450 D453 I454 E503	L448-H501 CarbonylContact C-O 3.57Å; L448-H501 WeakPolarHBondContact CA-O 3.29Å; G449-H501 PolarHBondContact N-O 2.86Å; D450-H501 PolarHBondContact O-ND1 2.86Å; D453-H501 IonicContact OD2-CE1 3.27Å; D453-H501 IonicContact OD2-ND1 2.77Å; I454-H501 HydrophobicContact CD1-CB 4.11Å; I454-H501 HydrophobicContact CG1-CB 4.13Å; H501-E503 IonicContact CE1-OE1 3.57Å; H501-E503 PolarHBondContact CE1-OE1 3.05Å; H501-E503 IonicContact NE2-OE1 3.75Å
502	L	93.8	Very high	92.9	Very high	24 Å²	24	48 Å²	48	13%	0.126	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-89.5	131.9	172.8	-65	166.9	0	0	0	108.9	F121 M408 N446 L448 L500	F121-L502 HydrophobicContact CD1-CD2 4.11Å; F121-L502 HydrophobicContact CE1-CD1 4.29Å; F121-L502 HydrophobicContact CE1-CD2 3.85Å; F121-L502 HydrophobicContact CZ-CD1 4.04Å; F121-L502 HydrophobicContact CZ-CD2 4.29Å; M408-L502 VanDerWaalsContact CB-O 3.29Å; M408-L502 WeakPolarHBondContact CB-O 3.27Å; M408-L502 HydrophobicContact SD-CB 4.21Å; N446-L502 HydrophobicContact CB-CD2 4.09Å; N446-L502 WeakPolarHBondContact ND2-CD2 3.47Å; L448-L502 HydrophobicContact CD2-CD2 3.52Å; L448-L502 HydrophobicContact CD2-CG 4.47Å; L500-L502 HydrophobicContact CD1-CD2 4.26Å; L500-L502 HydrophobicContact CD1-CG 4.23Å; L500-L502 HydrophobicContact CD2-CD1 4.11Å; L500-L502 HydrophobicContact CD2-CG 4.27Å; L500-L502 HydrophobicContact CG-CD1 4.48Å; L500-L502 HydrophobicContact CG-CG 4.11Å
503	E	93	Very high	93.3	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.037	29%	0.289	C	S	.	.			trans	-86.3	-30.4	178.6	-74.2	-76.4	154	0	0	113	R221 K356 R407 M408 E447 H501	R221-E503 IonicContact NH2-OE2 2.64Å; K356-E503 IonicContact NZ-OE1 3.89Å; K356-E503 PolarHBondContact NZ-OE1 3.47Å; K356-E503 IonicContact NZ-OE2 3.8Å; K356-E503 PolarHBondContact NZ-OE2 2.9Å; R407-E503 IonicContact CZ-OE2 2.68Å; R407-E503 IonicContact NH1-OE2 2.63Å; R407-E503 PolarHBondContact NH1-OE2 3.47Å; M408-E503 PolarHBondContact N-O 3.34Å; E447-E503 HydrophobicContact CB-CB 4.06Å; E447-E503 HydrophobicContact CB-CG 4.31Å; E447-E503 HydrophobicContact CG-CB 4.44Å; E447-E503 HydrophobicContact CG-CG 4.17Å; E447-E503 WeakPolarHBondContact O-CB 3.3Å; E447-E503 PolarHBondContact O-N 3.27Å; H501-E503 IonicContact CE1-OE1 3.57Å; H501-E503 PolarHBondContact CE1-OE1 3.05Å; H501-E503 IonicContact NE2-OE1 3.75Å
504	Y	94.4	Very high	93.6	Very high	7 Å²	7	47 Å²	47	3%	0.027	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	156.1	-176.9	-53.5	-67.5	0	0	0	112.5	H396 L405 G406 N446 E447	H396-Y504 HydrophobicContact CB-CD1 4.31Å; H396-Y504 HydrophobicContact CB-CE1 4.22Å; H396-Y504 AromaticContact CE1-CE1 3.62Å; H396-Y504 AromaticContact CE1-CZ 3.54Å; H396-Y504 PolarHBondContact CE1-OH 2.9Å; H396-Y504 VanDerWaalsContact CE1-OH 3.22Å; H396-Y504 AromaticContact CG-CE1 3.66Å; H396-Y504 AromaticContact ND1-CE1 3.26Å; H396-Y504 VanDerWaalsContact ND1-CE1 3.26Å; H396-Y504 WeakPolarHBondContact ND1-CE1 3.38Å; H396-Y504 AromaticContact ND1-CZ 3.71Å; L405-Y504 HydrophobicContact CD1-CG 4.4Å; L405-Y504 HydrophobicContact CD2-CG 4.36Å; L405-Y504 HydrophobicContact CG-CG 4.27Å; G406-Y504 CarbonylContact O-C 3.52Å; G406-Y504 WeakPolarHBondContact O-CA 3.26Å; G406-Y504 WeakPolarHBondContact O-CB 3.42Å; G406-Y504 WeakPolarHBondContact O-CD1 3.46Å; N446-Y504 PolarHBondContact ND2-O 3.37Å; N446-Y504 PolarHBondContact OD1-N 3.08Å; N446-Y504 VanDerWaalsContact OD1-N 3.08Å; E447-Y504 HydrophobicContact CB-CD2 3.86Å; E447-Y504 HydrophobicContact CB-CE2 3.55Å; E447-Y504 HydrophobicContact CG-CE2 4.44Å; E447-Y504 VanDerWaalsContact OE2-CE2 3.25Å; E447-Y504 WeakPolarHBondContact OE2-CE2 3.47Å; E447-Y504 PolarHBondContact OE2-OH 3.26Å
505	D	92.3	Very high	93.9	Very high	26 Å²	26	43.4 Å²	43.4	14%	0.139	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	155.4	174.2	-175.1	15.2	0	0	0	108.3	G406 M408 A411	G406-D505 PolarHBondContact N-O 3.38Å; G406-D505 PolarHBondContact O-N 3.01Å; M408-D505 HydrophobicContact SD-CB 3.83Å; A411-D505 WeakPolarHBondContact CB-OD2 3.5Å; A411-D505 PolarHBondContact N-OD2 3.47Å
506	V	93.8	Very high	94.4	Very high	13 Å²	13	36.9 Å²	36.9	8%	0.079	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	109.5	-174.7	-158.2	0	0	0	0	109.1	L399 Y403 L405 A442 P508	L399-V506 HydrophobicContact CD1-CG1 4.36Å; Y403-V506 HydrophobicContact CD1-CB 4.36Å; Y403-V506 HydrophobicContact CD1-CG1 3.45Å; Y403-V506 VanDerWaalsContact CD1-CG1 3.45Å; Y403-V506 HydrophobicContact CE1-CG1 4.48Å; Y403-V506 HydrophobicContact CG-CG1 3.97Å; L405-V506 HydrophobicContact CD1-CG2 4.02Å; A442-V506 HydrophobicContact CB-CG2 4.18Å; V506-P508 WeakPolarHBondContact O-CD 3.43Å
507	L	94.9	Very high	94.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	117	178.2	166.6	67.4	0	0	0	109.4	L393 V404 A411 A414 V427 L511 V512	L393-L507 HydrophobicContact CD1-CD2 4.18Å; V404-L507 HydrophobicContact CB-CB 4.05Å; V404-L507 HydrophobicContact CB-CD2 4.21Å; V404-L507 HydrophobicContact CB-CG 4.37Å; V404-L507 HydrophobicContact CG1-CD2 4.48Å; V404-L507 PolarHBondContact N-O 3.49Å; V404-L507 PolarHBondContact O-N 3.38Å; A411-L507 HydrophobicContact CB-CB 4.15Å; A411-L507 HydrophobicContact CB-CD1 4.37Å; A414-L507 HydrophobicContact CB-CD1 3.45Å; A414-L507 VanDerWaalsContact CB-CD1 3.45Å; A414-L507 HydrophobicContact CB-CD2 4.34Å; V427-L507 HydrophobicContact CG2-CD2 4.14Å; L507-L511 HydrophobicContact CD1-CB 3.57Å; L507-L511 HydrophobicContact CD1-CD1 3.88Å; L507-L511 HydrophobicContact CD1-CG 4.37Å; L507-V512 HydrophobicContact CD1-CG2 4.49Å; L507-V512 HydrophobicContact CD2-CG2 3.58Å; L507-V512 HydrophobicContact CG-CG2 3.75Å
508	P	95.2	Very high	94.9	Very high	32 Å²	32	30.3 Å²	30.3	21%	0.208	17%	0.166	C	C	.	.			trans	-66.2	147.6	179.7	26	-35.8	0	0	0	111.9	Y403 V506 T510 L511	Y403-P508 HydrophobicContact CD1-CB 4.33Å; Y403-P508 HydrophobicContact CE1-CB 3.82Å; V506-P508 WeakPolarHBondContact O-CD 3.43Å; P508-T510 PolarHBondContact O-N 3.48Å; P508-T510 VanDerWaalsContact O-N 3.13Å; P508-L511 HydrophobicContact CG-CD1 3.79Å; P508-L511 HydrophobicContact CG-CG 4.03Å; P508-L511 PolarHBondContact O-N 3.16Å; P508-L511 VanDerWaalsContact O-N 3.07Å
509	P	95.4	Very high	95	Very high	34 Å²	34	32.8 Å²	32.8	22%	0.221	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-61.2	-24.4	-178.3	23	-33.4	0	0	0	113.4	Y403 L511 V512 T524	Y403-P509 HydrophobicContact CD2-CG 4.18Å; Y403-P509 HydrophobicContact CE2-CG 4.13Å; P509-L511 PolarHBondContact O-N 2.73Å; P509-V512 PolarHBondContact O-N 3.1Å; P509-V512 VanDerWaalsContact O-N 3.13Å; P509-T524 HydrophobicContact CB-CG2 4.25Å; P509-T524 VanDerWaalsContact CB-OG1 3.26Å; P509-T524 WeakPolarHBondContact CB-OG1 3.26Å
510	T	95.3	Very high	95.1	Very high	126 Å²	126	32.6 Å²	32.6	77%	0.773	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-64.4	-23.4	176.9	51.1	0	0	0	0	113.6	P508	P508-T510 PolarHBondContact O-N 3.48Å; P508-T510 VanDerWaalsContact O-N 3.13Å
511	L	96.5	Very high	95.3	Very high	34 Å²	34	33.1 Å²	33.1	18%	0.178	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-94	-6.9	176.8	-67	179.3	0	0	0	112.5	A414 N415 A418 T425 L507 P508 P509	A414-L511 HydrophobicContact CB-CB 4.5Å; N415-L511 HydrophobicContact CB-CD1 3.81Å; A418-L511 HydrophobicContact CB-CD2 3.94Å; T425-L511 VanDerWaalsContact CB-O 3.27Å; T425-L511 WeakPolarHBondContact CB-O 3.44Å; L507-L511 HydrophobicContact CD1-CB 3.57Å; L507-L511 HydrophobicContact CD1-CD1 3.88Å; L507-L511 HydrophobicContact CD1-CG 4.37Å; P508-L511 HydrophobicContact CG-CD1 3.79Å; P508-L511 HydrophobicContact CG-CG 4.03Å; P508-L511 PolarHBondContact O-N 3.16Å; P508-L511 VanDerWaalsContact O-N 3.07Å; P509-L511 PolarHBondContact O-N 2.73Å
512	V	97.5	Very high	95.3	Very high	13 Å²	13	34.3 Å²	34.3	8%	0.079	19%	0.194	C	C	.	.			trans	-99.7	115.2	-179.4	-178.6	0	0	0	0	109.2	V404 V427 L507 P509 V515 T524	V404-V512 HydrophobicContact CG2-CG2 3.95Å; V427-V512 HydrophobicContact CB-CG1 4.37Å; V427-V512 HydrophobicContact CG2-CG1 3.89Å; V427-V512 HydrophobicContact CG2-CG2 4.1Å; L507-V512 HydrophobicContact CD1-CG2 4.49Å; L507-V512 HydrophobicContact CD2-CG2 3.58Å; L507-V512 HydrophobicContact CG-CG2 3.75Å; P509-V512 PolarHBondContact O-N 3.1Å; P509-V512 VanDerWaalsContact O-N 3.13Å; V512-V515 HydrophobicContact CG1-CG2 4.03Å; V512-T524 HydrophobicContact CB-CG2 3.71Å; V512-T524 HydrophobicContact CG1-CG2 3.6Å; V512-T524 HydrophobicContact CG2-CG2 4.22Å
513	T	96.8	Very high	95.4	Very high	85 Å²	85	36.2 Å²	36.2	52%	0.521	21%	0.208	S	C	.	.	S	Bend	trans	-71.5	-46.2	176.8	-52.2	0	0	0	0	111	P424 T425	P424-T513 VanDerWaalsContact CA-OG1 3.27Å; P424-T513 WeakPolarHBondContact CA-OG1 3.29Å; P424-T513 HydrophobicContact CB-CG2 3.92Å; P424-T513 WeakPolarHBondContact CB-OG1 3.32Å; T425-T513 PolarHBondContact N-OG1 2.97Å; T425-T513 WeakPolarHBondContact O-CB 3.35Å; T425-T513 PolarHBondContact O-N 3.49Å
514	A	97	Very high	95.5	Very high	12 Å²	12	36.4 Å²	36.4	10%	0.099	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	156	175	0	0	0	0	0	111.7	T425 I426 V427 T521	T425-A514 PolarHBondContact O-N 3.36Å; I426-A514 WeakPolarHBondContact CA-O 3.13Å; I426-A514 HydrophobicContact CD1-CB 4.04Å; V427-A514 PolarHBondContact N-O 3.05Å; A514-T521 HydrophobicContact CB-CG2 3.57Å
515	V	97.7	Very high	95.4	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	120.9	170.6	-175.8	0	0	0	0	108.4	L398 V427 A429 V512 T517 L522 T524	L398-V515 HydrophobicContact CD1-CG1 3.57Å; L398-V515 HydrophobicContact CD2-CG1 4.39Å; L398-V515 HydrophobicContact CD2-CG2 3.93Å; V427-V515 HydrophobicContact CB-CG2 4.45Å; V427-V515 CarbonylContact O-C 3.51Å; V427-V515 VanDerWaalsContact O-CA 3.26Å; V427-V515 WeakPolarHBondContact O-CA 3.37Å; A429-V515 HydrophobicContact CB-CG1 4.5Å; V512-V515 HydrophobicContact CG1-CG2 4.03Å; V515-T517 HydrophobicContact CG1-CG2 3.82Å; V515-L522 PolarHBondContact N-O 2.86Å; V515-L522 PolarHBondContact O-N 3.04Å; V515-T524 HydrophobicContact CG2-CG2 3.71Å
516	V	98.1	Very high	95.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	119.3	173.4	-173.6	0	0	0	0	108.8	I273 R276 T277 L280 I426 V427 A429 T521	I273-V516 HydrophobicContact CG2-CB 4.43Å; I273-V516 HydrophobicContact CG2-CG1 4.08Å; R276-V516 HydrophobicContact CB-CG1 3.69Å; T277-V516 WeakPolarHBondContact OG1-CG1 3.36Å; L280-V516 HydrophobicContact CD1-CG2 3.82Å; I426-V516 HydrophobicContact CG2-CG2 3.56Å; V427-V516 PolarHBondContact O-N 3.41Å; A429-V516 PolarHBondContact N-O 3.49Å; A429-V516 VanDerWaalsContact N-O 3.11Å; V516-T521 HydrophobicContact CG2-CG2 4.27Å
517	T	96.9	Very high	95.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	170.4	177.3	71.7	0	0	0	0	109.5	I273 A429 T431 F434 V515 K519 G520 L522	I273-T517 VanDerWaalsContact CG1-C 3.43Å; A429-T517 WeakPolarHBondContact O-CA 3.25Å; A429-T517 WeakPolarHBondContact O-CG2 3.43Å; T431-T517 HydrophobicContact CG2-CG2 4.42Å; F434-T517 HydrophobicContact CE1-CG2 4.09Å; F434-T517 HydrophobicContact CZ-CG2 3.77Å; V515-T517 HydrophobicContact CG1-CG2 3.82Å; T517-K519 PolarHBondContact O-N 3.48Å; T517-K519 PolarHBondContact OG1-N 3.2Å; T517-K519 VanDerWaalsContact OG1-N 3.1Å; T517-G520 PolarHBondContact N-O 3.03Å; T517-G520 PolarHBondContact O-N 2.84Å; T517-G520 PolarHBondContact OG1-N 3.04Å; T517-G520 PolarHBondContact OG1-O 3.28Å; T517-L522 HydrophobicContact CG2-CD1 4.4Å
518	E	95.3	Very high	95.3	Very high	31 Å²	31	43.1 Å²	43.1	15%	0.145	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-16	170.4	73.3	-82.5	-164.4	0	0	113.2	A269 E272 E430 T431 G520	A269-E518 HydrophobicContact CB-CB 3.88Å; A269-E518 HydrophobicContact CB-CG 3.79Å; E272-E518 HydrophobicContact CB-CB 3.87Å; E430-E518 WeakPolarHBondContact CA-OE2 3.1Å; T431-E518 VanDerWaalsContact CB-OE1 3.24Å; T431-E518 WeakPolarHBondContact CB-OE1 3.43Å; T431-E518 VanDerWaalsContact CG2-OE1 3.26Å; T431-E518 WeakPolarHBondContact CG2-OE1 3.24Å; T431-E518 PolarHBondContact N-OE1 3.17Å; T431-E518 PolarHBondContact N-OE2 3.3Å; T431-E518 PolarHBondContact OG1-OE1 3.46Å; E518-G520 VanDerWaalsContact C-N 3.34Å
519	K	93	Very high	95.2	Very high	148 Å²	148	45.7 Å²	45.7	64%	0.643	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-8.3	173.6	-59.2	-59.8	-177.3	-176.1	0	113	T431 T517 L522	T431-K519 HydrophobicContact CG2-CG 3.78Å; T517-K519 PolarHBondContact O-N 3.48Å; T517-K519 PolarHBondContact OG1-N 3.2Å; T517-K519 VanDerWaalsContact OG1-N 3.1Å; K519-L522 HydrophobicContact CB-CD1 4.44Å
520	G	94.6	Very high	95.1	Very high	13 Å²	13	45.1 Å²	45.1	13%	0.134	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	127.7	-177.6	-177.3	0	0	0	0	0	113.1	T517 E518	T517-G520 PolarHBondContact N-O 3.03Å; T517-G520 PolarHBondContact O-N 2.84Å; T517-G520 PolarHBondContact OG1-N 3.04Å; T517-G520 PolarHBondContact OG1-O 3.28Å; E518-G520 VanDerWaalsContact C-N 3.34Å
521	T	96.1	Very high	94.9	Very high	74 Å²	74	40 Å²	40	45%	0.454	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	109	172.7	-54.4	0	0	0	0	108.4	A514 V516	A514-T521 HydrophobicContact CB-CG2 3.57Å; V516-T521 HydrophobicContact CG2-CG2 4.27Å
522	L	95.1	Very high	94.6	Very high	39 Å²	39	46.6 Å²	46.6	20%	0.204	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	146.3	-171.3	-58.9	175.3	0	0	0	110.4	V515 T517 K519 V530	V515-L522 PolarHBondContact N-O 2.86Å; V515-L522 PolarHBondContact O-N 3.04Å; T517-L522 HydrophobicContact CG2-CD1 4.4Å; K519-L522 HydrophobicContact CB-CD1 4.44Å; L522-V530 HydrophobicContact CD1-CG2 3.75Å
523	P	95.8	Very high	94.1	Very high	64 Å²	64	50.5 Å²	50.5	42%	0.416	28%	0.279	S	S	.	.			trans	-68.6	157	164	31.4	-34.1	0	0	0	110.1	T525 S526	P523-T525 PolarHBondContact O-N 3.47Å; P523-T525 VanDerWaalsContact O-N 3.17Å; P523-S526 WeakPolarHBondContact CD-OG 3.3Å; P523-S526 WeakPolarHBondContact CG-OG 3.34Å; P523-S526 WeakPolarHBondContact O-CB 3.43Å; P523-S526 PolarHBondContact O-N 2.94Å
524	T	93.4	Very high	93.4	Very high	11 Å²	11	50 Å²	50	7%	0.067	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-58.8	-27.2	176	47.5	0	0	0	0	113	G402 P509 V512 V515 S526 V527	G402-T524 WeakPolarHBondContact CA-O 3.42Å; G402-T524 WeakPolarHBondContact O-CB 3.42Å; G402-T524 WeakPolarHBondContact O-CG2 3.31Å; P509-T524 HydrophobicContact CB-CG2 4.25Å; P509-T524 VanDerWaalsContact CB-OG1 3.26Å; P509-T524 WeakPolarHBondContact CB-OG1 3.26Å; V512-T524 HydrophobicContact CB-CG2 3.71Å; V512-T524 HydrophobicContact CG1-CG2 3.6Å; V512-T524 HydrophobicContact CG2-CG2 4.22Å; V515-T524 HydrophobicContact CG2-CG2 3.71Å; T524-S526 PolarHBondContact O-N 2.97Å; T524-V527 VanDerWaalsContact O-CG2 3.25Å; T524-V527 WeakPolarHBondContact O-CG2 3.42Å; T524-V527 PolarHBondContact O-N 3.17Å
525	T	92.8	Very high	92.6	Very high	111 Å²	111	53.6 Å²	53.6	68%	0.681	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-67.5	-15.2	175.7	55.1	0	0	0	0	114	P523 P528	P523-T525 PolarHBondContact O-N 3.47Å; P523-T525 VanDerWaalsContact O-N 3.17Å; T525-P528 WeakPolarHBondContact O-CD 3.47Å
526	S	93.5	Very high	91.8	Very high	31 Å²	31	55.6 Å²	55.6	22%	0.217	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-83	-8.1	176.5	-62.1	0	0	0	0	113.9	P523 T524 V529 V530	P523-S526 WeakPolarHBondContact CD-OG 3.3Å; P523-S526 WeakPolarHBondContact CG-OG 3.34Å; P523-S526 WeakPolarHBondContact O-CB 3.43Å; P523-S526 PolarHBondContact O-N 2.94Å; T524-S526 PolarHBondContact O-N 2.97Å; S526-V529 WeakPolarHBondContact O-CB 3.21Å; S526-V529 PolarHBondContact O-N 3.16Å; S526-V530 PolarHBondContact O-N 3.01Å; S526-V530 VanDerWaalsContact O-N 3.17Å
527	V	93.6	Very high	90.5	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.018	33%	0.326	C	S	.	.	H	α-helix	trans	-53.8	-46.2	-178.6	173.3	0	0	0	0	113	L398 L399 F434 T524 V529 V530 L531	L398-V527 HydrophobicContact CB-CG2 4.35Å; L398-V527 HydrophobicContact CD2-CG2 4.03Å; L399-V527 WeakPolarHBondContact O-CG1 3.41Å; F434-V527 HydrophobicContact CD2-CB 4.3Å; F434-V527 HydrophobicContact CD2-CG1 3.68Å; F434-V527 HydrophobicContact CD2-CG2 4.32Å; F434-V527 HydrophobicContact CE2-CB 4.19Å; F434-V527 HydrophobicContact CE2-CG1 4.07Å; F434-V527 HydrophobicContact CE2-CG2 3.88Å; F434-V527 HydrophobicContact CG-CG1 4.26Å; F434-V527 HydrophobicContact CZ-CG2 4.25Å; T524-V527 VanDerWaalsContact O-CG2 3.25Å; T524-V527 WeakPolarHBondContact O-CG2 3.42Å; T524-V527 PolarHBondContact O-N 3.17Å; V527-V529 VanDerWaalsContact C-N 3.27Å; V527-V529 PolarHBondContact O-N 3.38Å; V527-V530 PolarHBondContact O-N 3.41Å; V527-L531 HydrophobicContact CG1-CD1 4.03Å; V527-L531 HydrophobicContact CG1-CG 4.42Å; V527-L531 WeakPolarHBondContact O-CG 3.32Å; V527-L531 PolarHBondContact O-N 3.28Å
528	P	92.8	Very high	89	Confident	43 Å²	43	61.8 Å²	61.8	28%	0.279	34%	0.342	S	S	.	.	H	α-helix	trans	-57.2	-37.2	175	-28.1	36.1	0	0	0	114.2	S400 T525 L531 R532	S400-P528 WeakPolarHBondContact O-CD 3.45Å; S400-P528 WeakPolarHBondContact O-CG 3.48Å; T525-P528 WeakPolarHBondContact O-CD 3.47Å; P528-L531 PolarHBondContact O-N 3.32Å; P528-R532 VanDerWaalsContact O-CG 3.32Å; P528-R532 WeakPolarHBondContact O-CG 3.5Å; P528-R532 PolarHBondContact O-N 2.97Å
529	V	92.6	Very high	87.1	Confident	85 Å²	85	65.5 Å²	65.5	52%	0.515	37%	0.367	S	S	.	.	H	α-helix	trans	-66.9	-45.3	-179.4	-179	0	0	0	0	109.6	S526 V527 L531 R532 V533	S526-V529 WeakPolarHBondContact O-CB 3.21Å; S526-V529 PolarHBondContact O-N 3.16Å; V527-V529 VanDerWaalsContact C-N 3.27Å; V527-V529 PolarHBondContact O-N 3.38Å; V529-L531 VanDerWaalsContact C-N 3.34Å; V529-L531 PolarHBondContact O-N 3.4Å; V529-R532 PolarHBondContact O-N 3.2Å; V529-V533 WeakPolarHBondContact O-CG2 3.37Å; V529-V533 PolarHBondContact O-N 3.4Å
530	V	92.2	Very high	84.6	Confident	22 Å²	22	65.1 Å²	65.1	13%	0.133	37%	0.372	C	S	.	.	H	α-helix	trans	-61.8	-42.4	176.9	179.2	0	0	0	0	111.2	T431 F434 L522 S526 V527 V533 K534	T431-V530 HydrophobicContact CG2-CG1 3.73Å; F434-V530 HydrophobicContact CD2-CB 3.85Å; F434-V530 HydrophobicContact CD2-CG1 3.73Å; F434-V530 HydrophobicContact CE2-CB 3.63Å; F434-V530 HydrophobicContact CE2-CG1 3.64Å; F434-V530 HydrophobicContact CE2-CG2 3.92Å; L522-V530 HydrophobicContact CD1-CG2 3.75Å; S526-V530 PolarHBondContact O-N 3.01Å; S526-V530 VanDerWaalsContact O-N 3.17Å; V527-V530 PolarHBondContact O-N 3.41Å; V530-V533 PolarHBondContact O-N 3.48Å; V530-K534 WeakPolarHBondContact O-CB 3.44Å; V530-K534 PolarHBondContact O-N 2.94Å
531	L	91.5	Very high	82	Confident	18 Å²	18	71.3 Å²	71.3	9%	0.094	41%	0.407	C	S	.	.	H	α-helix	trans	-61.8	-43.4	176.2	-75.1	172.2	0	0	0	112.3	F434 V527 P528 V529 K534 Q535	F434-L531 HydrophobicContact CB-CD2 3.63Å; F434-L531 HydrophobicContact CB-CG 4.12Å; F434-L531 HydrophobicContact CD2-CG 4.47Å; V527-L531 HydrophobicContact CG1-CD1 4.03Å; V527-L531 HydrophobicContact CG1-CG 4.42Å; V527-L531 WeakPolarHBondContact O-CG 3.32Å; V527-L531 PolarHBondContact O-N 3.28Å; P528-L531 PolarHBondContact O-N 3.32Å; V529-L531 VanDerWaalsContact C-N 3.34Å; V529-L531 PolarHBondContact O-N 3.4Å; L531-K534 WeakPolarHBondContact O-CB 3.41Å; L531-K534 PolarHBondContact O-N 3.16Å; L531-Q535 WeakPolarHBondContact O-CG 3.3Å; L531-Q535 PolarHBondContact O-N 2.92Å
532	R	89.7	Confident	81.3	Confident	174 Å²	174	71.2 Å²	71.2	66%	0.657	40%	0.404	S	S	*	.	H	α-helix	trans	-64.9	-42.9	177	-73.7	176.5	-171	172.2	3.6	112.4	P528 V529 K534 Q535 A536	P528-R532 VanDerWaalsContact O-CG 3.32Å; P528-R532 WeakPolarHBondContact O-CG 3.5Å; P528-R532 PolarHBondContact O-N 2.97Å; V529-R532 PolarHBondContact O-N 3.2Å; R532-K534 VanDerWaalsContact C-N 3.27Å; R532-K534 PolarHBondContact O-N 2.89Å; R532-Q535 PolarHBondContact O-N 3.23Å; R532-A536 WeakPolarHBondContact O-CB 3.37Å; R532-A536 PolarHBondContact O-N 3Å
533	V	87.6	Confident	80.6	Confident	94 Å²	94	72.8 Å²	72.8	57%	0.57	42%	0.415	S	S	*	.	H	α-helix	trans	-60.9	-41	176.3	171.4	0	0	0	0	110.4	V529 V530 A536 S537	V529-V533 WeakPolarHBondContact O-CG2 3.37Å; V529-V533 PolarHBondContact O-N 3.4Å; V530-V533 PolarHBondContact O-N 3.48Å; V533-A536 PolarHBondContact O-N 2.95Å; V533-S537 PolarHBondContact O-N 2.94Å; V533-S537 PolarHBondContact O-OG 3.36Å
534	K	82.7	Confident	79.7	Confident	74 Å²	74	73.3 Å²	73.3	32%	0.322	42%	0.415	S	S	.	.	H	α-helix	trans	-61.8	-46.9	174.7	-173.4	179.8	179.1	-179	0	111.7	V530 L531 R532 A536 S537 V538	V530-K534 WeakPolarHBondContact O-CB 3.44Å; V530-K534 PolarHBondContact O-N 2.94Å; L531-K534 WeakPolarHBondContact O-CB 3.41Å; L531-K534 PolarHBondContact O-N 3.16Å; R532-K534 VanDerWaalsContact C-N 3.27Å; R532-K534 PolarHBondContact O-N 2.89Å; K534-A536 VanDerWaalsContact C-N 3.35Å; K534-A536 PolarHBondContact O-N 3.38Å; K534-S537 PolarHBondContact O-N 3.46Å; K534-S537 PolarHBondContact O-OG 3.4Å; K534-V538 WeakPolarHBondContact O-CG2 3.31Å; K534-V538 PolarHBondContact O-N 3.24Å
535	Q	80.9	Confident	78.9	Confident	89 Å²	89	77 Å²	77	42%	0.416	44%	0.435	S	S	.	.	H	α-helix	trans	-61.3	-42.2	176.9	-71.8	171.2	-16.8	0	0	111.9	E436 L531 R532 S537 V538 T539	E436-Q535 PolarHBondContact OE1-NE2 3.48Å; L531-Q535 WeakPolarHBondContact O-CG 3.3Å; L531-Q535 PolarHBondContact O-N 2.92Å; R532-Q535 PolarHBondContact O-N 3.23Å; Q535-S537 VanDerWaalsContact C-N 3.35Å; Q535-S537 PolarHBondContact O-N 3.38Å; Q535-V538 WeakPolarHBondContact O-CB 3.48Å; Q535-V538 PolarHBondContact O-N 3.48Å; Q535-V538 VanDerWaalsContact O-N 3.15Å; Q535-T539 PolarHBondContact O-N 2.87Å; Q535-T539 PolarHBondContact O-OG1 3.24Å
536	A	80.1	Confident	78	Confident	44 Å²	44	74.9 Å²	74.9	36%	0.364	42%	0.42	S	S	.	.	H	α-helix	trans	-65.5	-35.7	178.2	0	0	0	0	0	113	R532 V533 K534 V538 T539 N540	R532-A536 WeakPolarHBondContact O-CB 3.37Å; R532-A536 PolarHBondContact O-N 3Å; V533-A536 PolarHBondContact O-N 2.95Å; K534-A536 VanDerWaalsContact C-N 3.35Å; K534-A536 PolarHBondContact O-N 3.38Å; A536-V538 PolarHBondContact O-N 3.34Å; A536-T539 WeakPolarHBondContact CA-OG1 3.42Å; A536-T539 PolarHBondContact O-N 3.04Å; A536-T539 PolarHBondContact O-OG1 3.05Å; A536-N540 PolarHBondContact O-N 3.42Å
537	S	71.2	Confident	77	Confident	73 Å²	73	77.8 Å²	77.8	51%	0.51	43%	0.433	S	S	.	.	H	α-helix	trans	-66.2	-22.4	175.4	67.4	0	0	0	0	113.3	V533 K534 Q535	V533-S537 PolarHBondContact O-N 2.94Å; V533-S537 PolarHBondContact O-OG 3.36Å; K534-S537 PolarHBondContact O-N 3.46Å; K534-S537 PolarHBondContact O-OG 3.4Å; Q535-S537 VanDerWaalsContact C-N 3.35Å; Q535-S537 PolarHBondContact O-N 3.38Å
538	V	64.1	Low	75.8	Confident	57 Å²	57	83.1 Å²	83.1	35%	0.345	46%	0.463	S	S	.	.	H	α-helix	trans	-83.6	-33.8	176.4	176	0	0	0	0	111.5	Q236 K534 Q535 A536	Q236-V538 HydrophobicContact CG-CG1 4.32Å; K534-V538 WeakPolarHBondContact O-CG2 3.31Å; K534-V538 PolarHBondContact O-N 3.24Å; Q535-V538 WeakPolarHBondContact O-CB 3.48Å; Q535-V538 PolarHBondContact O-N 3.48Å; Q535-V538 VanDerWaalsContact O-N 3.15Å; A536-V538 PolarHBondContact O-N 3.34Å
539	T	55.9	Low	74.5	Confident	108 Å²	108	86.2 Å²	86.2	66%	0.663	48%	0.477	S	S	*	.	H	α-helix	trans	-79.5	-18.7	-179.5	44.7	0	0	0	0	114.6	Q535 A536	Q535-T539 PolarHBondContact O-N 2.87Å; Q535-T539 PolarHBondContact O-OG1 3.24Å; A536-T539 WeakPolarHBondContact CA-OG1 3.42Å; A536-T539 PolarHBondContact O-N 3.04Å; A536-T539 PolarHBondContact O-OG1 3.05Å
540	N	41.5	Very low	73	Confident	140 Å²	140	86.3 Å²	86.3	75%	0.749	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	9.1	-176.1	-75.1	-10	0	0	0	114.2	A536	A536-N540 PolarHBondContact O-N 3.42Å
541	V	38.8	Very low	71.3	Confident	143 Å²	143	92.2 Å²	92.2	87%	0.867	51%	0.505	S	S	*	.			trans	-126.4	0	175.4	-173.7	0	0	0	0	107.9

Retrieved 541 of 541 residues in 227.2 ms (Link to these results)

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