A0A087Y3E3_POEFO Loading...

alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase

AlphaFold DB , UniProt , Accession A0A087Y3E3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 429 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.3	Low	50.5	Low	216 Å²	216	136.5 Å²	136.5	100%	1.064	69%	0.692	S	S	*	*				0	-20.8	0	-73.9	-166.5	-82.9	0	0	115
2	A	48.1	Very low	51.7	Low	80 Å²	80	131.5 Å²	131.5	66%	0.661	67%	0.673	S	S	*	*	H	α-helix	trans	-71.1	-28.2	-179.8	0	0	0	0	0	115.9	V6	A2-V6 WeakPolarHBondContact O-CG2 3.47Å
3	R	43.2	Very low	52.6	Low	228 Å²	228	129.3 Å²	129.3	86%	0.86	66%	0.663	S	S	*	*	H	α-helix	trans	-77.5	-19.3	-177.6	-79.1	-176.1	176.2	-177.3	-1	115.3
4	Q	47.2	Very low	53.4	Low	160 Å²	160	126.6 Å²	126.6	75%	0.748	66%	0.655	S	S	*	*	H	α-helix	trans	-85.2	-33.5	176.7	-90.1	172.1	-28.1	0	0	112.2	K7 L8	Q4-K7 PolarHBondContact O-N 2.92Å; Q4-L8 PolarHBondContact O-N 2.71Å
5	A	48.8	Very low	53.9	Low	64 Å²	64	123.5 Å²	123.5	53%	0.529	64%	0.639	S	S	.	*	H	α-helix	trans	-65.2	-38.8	176.3	0	0	0	0	0	112.4	K7 L8 F9	A5-K7 PolarHBondContact O-N 2.73Å; A5-L8 PolarHBondContact O-N 2.73Å; A5-F9 WeakPolarHBondContact O-CB 3.46Å; A5-F9 PolarHBondContact O-N 3.06Å
6	V	52.1	Low	54.3	Low	94 Å²	94	122.3 Å²	122.3	57%	0.57	63%	0.633	S	S	*	*	H	α-helix	trans	-66.9	-37.9	178.7	178	0	0	0	0	111.9	A2 F9 S10	A2-V6 WeakPolarHBondContact O-CG2 3.47Å; V6-F9 PolarHBondContact O-N 3.23Å; V6-S10 PolarHBondContact O-N 2.98Å; V6-S10 PolarHBondContact O-OG 2.7Å
7	K	47.9	Very low	54.4	Low	168 Å²	168	123.5 Å²	123.5	73%	0.73	63%	0.633	S	S	*	*	H	α-helix	trans	-70.2	-35.8	177.6	-72.9	-173.7	176.3	-173.6	0	112.8	Q4 A5 F11	Q4-K7 PolarHBondContact O-N 2.92Å; A5-K7 PolarHBondContact O-N 2.73Å; K7-F11 WeakPolarHBondContact O-CB 3.44Å; K7-F11 PolarHBondContact O-N 2.93Å
8	L	51.8	Low	54.5	Low	129 Å²	129	120.4 Å²	120.4	68%	0.675	62%	0.624	S	S	*	*	H	α-helix	trans	-70	-38.9	176.5	-154.5	77.7	0	0	0	111.2	Q4 A5 F11 V12	Q4-L8 PolarHBondContact O-N 2.71Å; A5-L8 PolarHBondContact O-N 2.73Å; L8-F11 PolarHBondContact O-N 3.06Å; L8-V12 WeakPolarHBondContact O-CG2 3.34Å; L8-V12 PolarHBondContact O-N 2.82Å; L8-V12 VanDerWaalsContact O-N 3.15Å
9	F	53.5	Low	54.7	Low	149 Å²	149	118.6 Å²	118.6	65%	0.654	61%	0.614	S	S	*	*	H	α-helix	trans	-68.1	-42	178.7	-152	-96.9	0	0	0	112.3	A5 V6 F11 V12 L13	A5-F9 WeakPolarHBondContact O-CB 3.46Å; A5-F9 PolarHBondContact O-N 3.06Å; V6-F9 PolarHBondContact O-N 3.23Å; F9-F11 VanDerWaalsContact C-N 3.34Å; F9-F11 PolarHBondContact O-N 3.22Å; F9-V12 PolarHBondContact O-N 3.46Å; F9-L13 HydrophobicContact CD1-CD1 3.84Å; F9-L13 HydrophobicContact CE1-CD1 3.67Å; F9-L13 PolarHBondContact O-N 3.48Å; F9-L13 VanDerWaalsContact O-N 3.13Å
10	S	54.8	Low	54.9	Low	71 Å²	71	116.9 Å²	116.9	50%	0.497	61%	0.609	S	S	.	*	H	α-helix	trans	-64.9	-34.7	174.7	-65	0	0	0	0	113	V6 V14	V6-S10 PolarHBondContact O-N 2.98Å; V6-S10 PolarHBondContact O-OG 2.7Å; S10-V14 VanDerWaalsContact O-CG2 3.29Å; S10-V14 WeakPolarHBondContact O-CG2 3.41Å; S10-V14 PolarHBondContact O-N 2.72Å
11	F	55.5	Low	54.6	Low	142 Å²	142	116 Å²	116	62%	0.623	61%	0.605	S	S	*	*	H	α-helix	trans	-71.6	-38.3	179.3	-159.2	-104.2	0	0	0	112.3	K7 L8 F9 V14 I15	K7-F11 WeakPolarHBondContact O-CB 3.44Å; K7-F11 PolarHBondContact O-N 2.93Å; L8-F11 PolarHBondContact O-N 3.06Å; F9-F11 VanDerWaalsContact C-N 3.34Å; F9-F11 PolarHBondContact O-N 3.22Å; F11-V14 PolarHBondContact O-N 2.74Å; F11-I15 HydrophobicContact CD1-CD1 3.69Å; F11-I15 HydrophobicContact CE1-CD1 3.59Å; F11-I15 HydrophobicContact CZ-CD1 4.47Å; F11-I15 WeakPolarHBondContact O-CG1 3.33Å; F11-I15 PolarHBondContact O-N 3.21Å; F11-I15 VanDerWaalsContact O-N 3.16Å
12	V	65.8	Low	54.4	Low	77 Å²	77	111.9 Å²	111.9	47%	0.467	58%	0.581	S	S	.	*	H	α-helix	trans	-67.5	-37.6	176.1	173.2	0	0	0	0	111.5	L8 F9 I15 L16	L8-V12 WeakPolarHBondContact O-CG2 3.34Å; L8-V12 PolarHBondContact O-N 2.82Å; L8-V12 VanDerWaalsContact O-N 3.15Å; F9-V12 PolarHBondContact O-N 3.46Å; V12-I15 PolarHBondContact O-N 2.87Å; V12-L16 HydrophobicContact CG1-CD1 3.87Å; V12-L16 PolarHBondContact O-N 2.75Å
13	L	62.4	Low	54.3	Low	103 Å²	103	113.3 Å²	113.3	54%	0.539	58%	0.576	S	S	.	*	H	α-helix	trans	-66	-39.7	176.4	-119.2	126.9	0	0	0	112.6	F9 L16 F17	F9-L13 HydrophobicContact CD1-CD1 3.84Å; F9-L13 HydrophobicContact CE1-CD1 3.67Å; F9-L13 PolarHBondContact O-N 3.48Å; F9-L13 VanDerWaalsContact O-N 3.13Å; L13-L16 PolarHBondContact O-N 3.44Å; L13-F17 WeakPolarHBondContact O-CB 3.35Å; L13-F17 PolarHBondContact O-N 2.79Å
14	V	64.5	Low	54.2	Low	91 Å²	91	108.7 Å²	108.7	55%	0.552	57%	0.566	S	S	*	*	H	α-helix	trans	-66.2	-37.8	176.3	172.5	0	0	0	0	111.4	S10 F11 S18	S10-V14 VanDerWaalsContact O-CG2 3.29Å; S10-V14 WeakPolarHBondContact O-CG2 3.41Å; S10-V14 PolarHBondContact O-N 2.72Å; F11-V14 PolarHBondContact O-N 2.74Å; V14-S18 WeakPolarHBondContact O-CB 3.31Å; V14-S18 PolarHBondContact O-N 3.35Å; V14-S18 PolarHBondContact O-OG 3.41Å
15	I	61.1	Low	54.2	Low	81 Å²	81	105 Å²	105	42%	0.415	56%	0.558	S	S	.	*	H	α-helix	trans	-68.5	-44.5	177.1	-68.6	170.9	0	0	0	111.2	F11 V12 F17 S18 I19	F11-I15 HydrophobicContact CD1-CD1 3.69Å; F11-I15 HydrophobicContact CE1-CD1 3.59Å; F11-I15 HydrophobicContact CZ-CD1 4.47Å; F11-I15 WeakPolarHBondContact O-CG1 3.33Å; F11-I15 PolarHBondContact O-N 3.21Å; F11-I15 VanDerWaalsContact O-N 3.16Å; V12-I15 PolarHBondContact O-N 2.87Å; I15-F17 PolarHBondContact O-N 3.04Å; I15-S18 PolarHBondContact O-N 3.5Å; I15-I19 HydrophobicContact CG2-CD1 3.85Å; I15-I19 VanDerWaalsContact O-CG1 3.32Å; I15-I19 WeakPolarHBondContact O-CG1 3.27Å; I15-I19 PolarHBondContact O-N 3.24Å
16	L	60.1	Low	53.9	Low	104 Å²	104	108.9 Å²	108.9	55%	0.545	57%	0.565	S	S	.	*	H	α-helix	trans	-63.4	-42.2	177.6	-81.7	161.1	0	0	0	111.8	V12 L13 S18 I19 V20	V12-L16 HydrophobicContact CG1-CD1 3.87Å; V12-L16 PolarHBondContact O-N 2.75Å; L13-L16 PolarHBondContact O-N 3.44Å; L16-S18 VanDerWaalsContact C-N 3.33Å; L16-S18 PolarHBondContact O-N 2.7Å; L16-I19 PolarHBondContact O-N 3.17Å; L16-V20 WeakPolarHBondContact O-CG2 3.29Å; L16-V20 PolarHBondContact O-N 2.92Å
17	F	56.1	Low	53.2	Low	143 Å²	143	106.9 Å²	106.9	63%	0.627	56%	0.563	S	S	*	*	H	α-helix	trans	-64.9	-36.6	176.4	-156.1	-102.2	0	0	0	112.4	L13 I15 V20 L21	L13-F17 WeakPolarHBondContact O-CB 3.35Å; L13-F17 PolarHBondContact O-N 2.79Å; I15-F17 PolarHBondContact O-N 3.04Å; F17-V20 PolarHBondContact O-N 3.28Å; F17-L21 HydrophobicContact CD1-CD1 3.61Å; F17-L21 HydrophobicContact CD1-CG 4.4Å; F17-L21 HydrophobicContact CE1-CD1 3.62Å; F17-L21 HydrophobicContact CE1-CG 4.32Å; F17-L21 WeakPolarHBondContact O-CB 3.18Å; F17-L21 PolarHBondContact O-N 3.23Å
18	S	56.9	Low	52.8	Low	67 Å²	67	105.8 Å²	105.8	47%	0.469	57%	0.565	S	S	.	*	H	α-helix	trans	-68.4	-35.4	176.4	-56.1	0	0	0	0	112.8	V14 I15 L16 F22	V14-S18 WeakPolarHBondContact O-CB 3.31Å; V14-S18 PolarHBondContact O-N 3.35Å; V14-S18 PolarHBondContact O-OG 3.41Å; I15-S18 PolarHBondContact O-N 3.5Å; L16-S18 VanDerWaalsContact C-N 3.33Å; L16-S18 PolarHBondContact O-N 2.7Å; S18-F22 WeakPolarHBondContact O-CB 3.2Å; S18-F22 PolarHBondContact O-N 3.45Å; S18-F22 VanDerWaalsContact O-N 3.07Å
19	I	57.2	Low	51.9	Low	86 Å²	86	107.7 Å²	107.7	44%	0.441	58%	0.576	S	S	.	*	H	α-helix	trans	-71.2	-40.8	176.9	-68.3	166.9	0	0	0	110.6	I15 L16 F22 I23	I15-I19 HydrophobicContact CG2-CD1 3.85Å; I15-I19 VanDerWaalsContact O-CG1 3.32Å; I15-I19 WeakPolarHBondContact O-CG1 3.27Å; I15-I19 PolarHBondContact O-N 3.24Å; L16-I19 PolarHBondContact O-N 3.17Å; I19-F22 PolarHBondContact O-N 3.43Å; I19-I23 HydrophobicContact CG2-CD1 3.86Å; I19-I23 VanDerWaalsContact O-CG1 3.29Å; I19-I23 WeakPolarHBondContact O-CG1 3.3Å; I19-I23 PolarHBondContact O-N 2.98Å
20	V	59.5	Low	50.7	Low	84 Å²	84	106.2 Å²	106.2	51%	0.509	58%	0.581	S	S	.	*	H	α-helix	trans	-65.8	-41.2	176.9	173	0	0	0	0	111.3	L16 F17 F22 I23 M24	L16-V20 WeakPolarHBondContact O-CG2 3.29Å; L16-V20 PolarHBondContact O-N 2.92Å; F17-V20 PolarHBondContact O-N 3.28Å; V20-F22 VanDerWaalsContact C-N 3.34Å; V20-F22 PolarHBondContact O-N 2.85Å; V20-I23 PolarHBondContact O-N 3.26Å; V20-M24 HydrophobicContact CG1-CG 4.3Å; V20-M24 WeakPolarHBondContact O-CB 3.41Å; V20-M24 WeakPolarHBondContact O-CG 3.44Å; V20-M24 PolarHBondContact O-N 2.91Å
21	L	48.2	Very low	49.8	Very low	100 Å²	100	108.1 Å²	108.1	52%	0.524	59%	0.594	S	S	.	*	H	α-helix	trans	-63.5	-37	173.5	-81.9	164.9	0	0	0	112.6	F17 M24 S25	F17-L21 HydrophobicContact CD1-CD1 3.61Å; F17-L21 HydrophobicContact CD1-CG 4.4Å; F17-L21 HydrophobicContact CE1-CD1 3.62Å; F17-L21 HydrophobicContact CE1-CG 4.32Å; F17-L21 WeakPolarHBondContact O-CB 3.18Å; F17-L21 PolarHBondContact O-N 3.23Å; L21-M24 PolarHBondContact O-N 3.2Å; L21-S25 WeakPolarHBondContact O-CB 3.41Å; L21-S25 PolarHBondContact O-N 3.11Å
22	F	48.1	Very low	48.6	Very low	129 Å²	129	108.7 Å²	108.7	57%	0.566	60%	0.604	S	S	*	*	H	α-helix	trans	-68.2	-37.7	175.4	-176.2	-98.8	0	0	0	112.6	S18 I19 V20 Q26	S18-F22 WeakPolarHBondContact O-CB 3.2Å; S18-F22 PolarHBondContact O-N 3.45Å; S18-F22 VanDerWaalsContact O-N 3.07Å; I19-F22 PolarHBondContact O-N 3.43Å; V20-F22 VanDerWaalsContact C-N 3.34Å; V20-F22 PolarHBondContact O-N 2.85Å; F22-Q26 WeakPolarHBondContact O-CG 3.41Å
23	I	46.6	Very low	46.8	Very low	109 Å²	109	111.4 Å²	111.4	56%	0.559	62%	0.62	S	S	*	*	H	α-helix	trans	-70	-40.4	175.3	-67.2	168.3	0	0	0	110.4	I19 V20 S25 Q26	I19-I23 HydrophobicContact CG2-CD1 3.86Å; I19-I23 VanDerWaalsContact O-CG1 3.29Å; I19-I23 WeakPolarHBondContact O-CG1 3.3Å; I19-I23 PolarHBondContact O-N 2.98Å; V20-I23 PolarHBondContact O-N 3.26Å; I23-S25 VanDerWaalsContact C-N 3.34Å; I23-S25 PolarHBondContact O-N 3.09Å; I23-Q26 PolarHBondContact O-N 3.28Å
24	M	41.2	Very low	45.3	Very low	132 Å²	132	112 Å²	112	65%	0.65	63%	0.633	S	S	*	*	H	α-helix	trans	-69.6	-28.7	177.2	-69	-97.5	66.8	0	0	112.7	V20 L21 Q26 G27	V20-M24 HydrophobicContact CG1-CG 4.3Å; V20-M24 WeakPolarHBondContact O-CB 3.41Å; V20-M24 WeakPolarHBondContact O-CG 3.44Å; V20-M24 PolarHBondContact O-N 2.91Å; L21-M24 PolarHBondContact O-N 3.2Å; M24-Q26 VanDerWaalsContact C-N 3.26Å; M24-Q26 PolarHBondContact O-N 3.04Å; M24-G27 PolarHBondContact O-N 3.44Å
25	S	45.6	Very low	43.5	Very low	83 Å²	83	115 Å²	115	58%	0.58	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-6.2	175.2	106.1	0	0	0	0	114.1	L21 I23	L21-S25 WeakPolarHBondContact O-CB 3.41Å; L21-S25 PolarHBondContact O-N 3.11Å; I23-S25 VanDerWaalsContact C-N 3.34Å; I23-S25 PolarHBondContact O-N 3.09Å
26	Q	42.8	Very low	42	Very low	144 Å²	144	116.1 Å²	116.1	67%	0.673	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-7.6	173.8	-66.4	-91.8	-33	0	0	112	F22 I23 M24	F22-Q26 WeakPolarHBondContact O-CG 3.41Å; I23-Q26 PolarHBondContact O-N 3.28Å; M24-Q26 VanDerWaalsContact C-N 3.26Å; M24-Q26 PolarHBondContact O-N 3.04Å
27	G	38	Very low	40.2	Very low	52 Å²	52	120.8 Å²	120.8	54%	0.536	68%	0.676	S	S	.	*	S	Bend	trans	-95.5	-2.9	-170.7	0	0	0	0	0	116.7	M24	M24-G27 PolarHBondContact O-N 3.44Å
28	N	40.3	Very low	38.9	Very low	145 Å²	145	118.9 Å²	118.9	78%	0.775	68%	0.678	S	S	*	*			trans	-148.7	100.1	179.7	-88.2	-33.5	0	0	0	111.4
29	L	31.8	Very low	37.3	Very low	170 Å²	170	127.3 Å²	127.3	89%	0.89	70%	0.7	S	S	*	*			trans	-159.5	139.4	147.7	-101.7	139.3	0	0	0	111
30	P	28.9	Very low	35.9	Very low	118 Å²	118	133 Å²	133	77%	0.766	72%	0.717	S	S	*	*			trans	-81	153.1	-165.7	-5.5	24.4	0	0	0	113.5	N32	P30-N32 PolarHBondContact O-N 3.31Å
31	S	35.8	Very low	34.2	Very low	111 Å²	111	139.8 Å²	139.8	78%	0.776	73%	0.734	S	S	*	*	S	Bend	trans	-69.1	103.9	170.6	48.2	0	0	0	0	112.1
32	N	30.7	Very low	33.1	Very low	154 Å²	154	145.2 Å²	145.2	82%	0.824	75%	0.747	S	S	*	*			trans	146.9	98	144.8	-84.9	-17.2	0	0	0	111.4	P30	P30-N32 PolarHBondContact O-N 3.31Å
33	V	27.9	Very low	32	Very low	133 Å²	133	145.6 Å²	145.6	81%	0.806	75%	0.754	S	S	*	*			trans	-151.2	121.3	145.7	-177.7	0	0	0	0	108.9	L35	V33-L35 HydrophobicContact CG1-CD1 4.12Å
34	S	30.6	Very low	31.1	Very low	117 Å²	117	144.4 Å²	144.4	82%	0.818	76%	0.761	S	S	*	*			trans	-76.8	120.7	166.6	136.1	0	0	0	0	109.3
35	L	25.5	Very low	30.2	Very low	153 Å²	153	146.7 Å²	146.7	80%	0.801	77%	0.772	S	S	*	*			trans	-153.3	127.9	159.1	-108.8	133.3	0	0	0	111	V33	V33-L35 HydrophobicContact CG1-CD1 4.12Å
36	S	29.3	Very low	29.3	Very low	105 Å²	105	148.3 Å²	148.3	73%	0.734	78%	0.783	S	S	*	*			trans	-70.3	127.6	-174.1	44.3	0	0	0	0	113.4
37	K	22.9	Very low	28.5	Very low	202 Å²	202	146 Å²	146	88%	0.878	79%	0.788	S	S	*	*			trans	176.4	124.2	150	-100.6	166.2	-170.1	-179.4	0	110.4	R39	K37-R39 PolarHBondContact O-N 2.66Å
38	P	29.1	Very low	28	Very low	103 Å²	103	150.5 Å²	150.5	67%	0.669	81%	0.805	S	S	*	*			trans	-88.3	104.7	175.2	32.1	-28	0	0	0	111	Y40	P38-Y40 HydrophobicContact CB-CE2 4.13Å; P38-Y40 HydrophobicContact CG-CE2 4.33Å
39	R	24.2	Very low	27.3	Very low	243 Å²	243	152.8 Å²	152.8	92%	0.917	81%	0.808	S	S	*	*			trans	-81.6	104.9	155.9	-95.3	-176.2	177.9	172.5	0	107.9	K37 R41	K37-R39 PolarHBondContact O-N 2.66Å; R39-R41 PolarHBondContact O-N 3.34Å; R39-R41 VanDerWaalsContact O-N 3.12Å
40	Y	26.3	Very low	27	Very low	205 Å²	205	153.5 Å²	153.5	80%	0.804	81%	0.806	S	S	*	*			trans	-68.6	104.7	169.3	-69.9	-83.5	0	0	0	109.5	P38	P38-Y40 HydrophobicContact CB-CE2 4.13Å; P38-Y40 HydrophobicContact CG-CE2 4.33Å
41	R	24.1	Very low	26.9	Very low	227 Å²	227	157.7 Å²	157.7	86%	0.857	81%	0.813	S	S	*	*			trans	-96.8	113.4	174.2	-164.1	171.8	172.4	178.4	-3.3	108.6	R39 I43	R39-R41 PolarHBondContact O-N 3.34Å; R39-R41 VanDerWaalsContact O-N 3.12Å; R41-I43 PolarHBondContact O-N 3.45Å
42	W	24.6	Very low	26.4	Very low	214 Å²	214	162.2 Å²	162.2	81%	0.811	82%	0.819	S	S	*	*			trans	-61.6	119.8	171	-73.2	78.3	0	0	0	109.8	F259	W42-F259 HydrophobicContact CH2-CE2 4.46Å
43	I	25.4	Very low	26.1	Very low	137 Å²	137	158.5 Å²	158.5	70%	0.703	82%	0.817	S	S	*	*			trans	-116.7	89.4	160.7	-59.1	-179.9	0	0	0	106.5	R41 M45	R41-I43 PolarHBondContact O-N 3.45Å; I43-M45 HydrophobicContact CG2-CG 3.85Å; I43-M45 PolarHBondContact O-N 3.48Å
44	A	27.1	Very low	26	Very low	85 Å²	85	159.8 Å²	159.8	70%	0.702	82%	0.819	S	S	*	*			trans	-76.7	105.6	156.2	0	0	0	0	0	106.8	S46	A44-S46 VanDerWaalsContact C-N 3.29Å; A44-S46 PolarHBondContact O-N 3.37Å; A44-S46 VanDerWaalsContact O-N 3.07Å
45	M	23.8	Very low	25.6	Very low	179 Å²	179	159 Å²	159	88%	0.882	81%	0.813	S	S	*	*			trans	-77.2	88	164.2	-73.6	-163.8	-73.9	0	0	108.2	I43	I43-M45 HydrophobicContact CG2-CG 3.85Å; I43-M45 PolarHBondContact O-N 3.48Å
46	S	26.5	Very low	25.6	Very low	118 Å²	118	160.6 Å²	160.6	83%	0.825	81%	0.814	S	S	*	*			trans	-96.4	101	160.9	-176	0	0	0	0	108	A44	A44-S46 VanDerWaalsContact C-N 3.29Å; A44-S46 PolarHBondContact O-N 3.37Å; A44-S46 VanDerWaalsContact O-N 3.07Å
47	A	24.8	Very low	25.4	Very low	94 Å²	94	165.9 Å²	165.9	78%	0.777	82%	0.819	S	S	*	*			trans	-154.7	76.2	164.3	0	0	0	0	0	109.3
48	V	27.9	Very low	25.6	Very low	147 Å²	147	165 Å²	165	89%	0.891	82%	0.815	S	S	*	*			trans	-124.7	107	156.9	-179.2	0	0	0	0	107
49	K	25.4	Very low	25.4	Very low	193 Å²	193	167.3 Å²	167.3	84%	0.839	82%	0.822	S	S	*	*			trans	-58.7	139.7	177.7	-82.6	176.6	171.5	177.8	0	110.6	F51	K49-F51 PolarHBondContact O-N 2.94Å
50	H	26.5	Very low	25.6	Very low	185 Å²	185	162.5 Å²	162.5	86%	0.856	81%	0.81	S	S	*	*			trans	-49.8	130.4	166.3	-90.8	-21.9	0	0	0	112.1
51	F	25.5	Very low	25.7	Very low	206 Å²	206	163.2 Å²	163.2	90%	0.904	81%	0.811	S	S	*	*			trans	-123.9	116.8	153.9	-105.2	-90	0	0	0	108.5	K49	K49-F51 PolarHBondContact O-N 2.94Å
52	K	26.1	Very low	25.8	Very low	206 Å²	206	160 Å²	160	90%	0.896	81%	0.81	S	S	*	*			trans	-83.5	133.2	164.7	-79.9	-177.5	173.8	-179.8	0	107.8
53	G	25.1	Very low	26	Very low	76 Å²	76	160.9 Å²	160.9	78%	0.784	81%	0.814	S	S	*	*			trans	-175.4	112.8	169.4	0	0	0	0	0	110
54	L	24.9	Very low	26	Very low	161 Å²	161	162.2 Å²	162.2	84%	0.843	82%	0.817	S	S	*	*			trans	-62.4	147.3	174.6	-88.5	80.3	0	0	0	111.4
55	S	22.3	Very low	26.1	Very low	101 Å²	101	166.1 Å²	166.1	71%	0.706	82%	0.824	S	S	*	*			trans	-159.5	127.2	130.3	-173.9	0	0	0	0	110.1
56	F	26.3	Very low	26.4	Very low	185 Å²	185	166.3 Å²	166.3	81%	0.811	82%	0.823	S	S	*	*			trans	-70.9	126	169.1	-85.7	-101.8	0	0	0	109.1
57	Y	24.1	Very low	26.5	Very low	216 Å²	216	163.5 Å²	163.5	85%	0.847	81%	0.812	S	S	*	*			trans	-133.7	111.1	154.9	-96.8	-87.7	0	0	0	109.3
58	K	27.1	Very low	26.5	Very low	183 Å²	183	167 Å²	167	80%	0.796	82%	0.818	S	S	*	*			trans	-58.9	129.9	157.2	-132.3	-179.3	-179.3	-171.4	0	106.4
59	N	26	Very low	26.8	Very low	153 Å²	153	166.5 Å²	166.5	82%	0.818	82%	0.815	S	S	*	*			trans	-140.7	105.5	161.2	-134.5	13.1	0	0	0	110.3
60	E	27.6	Very low	27	Very low	142 Å²	142	161.8 Å²	161.8	66%	0.664	80%	0.803	S	S	*	*			trans	-75.6	145.6	159.7	-69.9	-174.2	-179.9	0	0	109.1
61	R	28.2	Very low	27.3	Very low	220 Å²	220	161.2 Å²	161.2	83%	0.83	81%	0.805	S	S	*	*			trans	62.9	122.9	163.1	-62.9	-178.6	-166.3	-142	0.6	118.1
62	L	25.6	Very low	27.5	Very low	159 Å²	159	158.2 Å²	158.2	83%	0.832	80%	0.798	S	S	*	*			trans	-162.4	81.8	136.1	-98.8	165.5	0	0	0	108.1
63	W	29	Very low	27.8	Very low	232 Å²	232	153.2 Å²	153.2	88%	0.879	78%	0.781	S	S	*	*			trans	-116.3	93.8	157.4	-72.6	115.2	0	0	0	107
64	Q	26.1	Very low	28.4	Very low	165 Å²	165	152.6 Å²	152.6	77%	0.771	77%	0.768	S	S	*	*			trans	-142.1	103.4	157.7	-85.1	-167.8	-27	0	0	107.3
65	I	28.9	Very low	29.3	Very low	168 Å²	168	150.2 Å²	150.2	86%	0.862	76%	0.76	S	S	*	*			trans	-126.5	92.3	151.1	-59.9	178.7	0	0	0	104
66	E	30.3	Very low	30	Very low	183 Å²	183	154.9 Å²	154.9	86%	0.855	76%	0.763	S	S	*	*			trans	-74.4	120.4	158.8	-80	-178.6	164.9	0	0	107.4
67	G	28.6	Very low	30.9	Very low	58 Å²	58	150.7 Å²	150.7	60%	0.598	75%	0.749	S	S	*	*			trans	-143.1	97.3	167.9	0	0	0	0	0	107.5	V69	G67-V69 PolarHBondContact O-N 3.33Å; G67-V69 VanDerWaalsContact O-N 3.08Å
68	N	25.6	Very low	31.9	Very low	167 Å²	167	143.7 Å²	143.7	89%	0.893	73%	0.731	S	S	*	*			trans	-59.9	107.4	170.4	-84.3	-19.9	0	0	0	109.1
69	V	32.6	Very low	32.6	Very low	138 Å²	138	140.2 Å²	140.2	84%	0.836	72%	0.721	S	S	*	*			trans	-90.9	100.7	167.2	179.9	0	0	0	0	107.6	G67 L71	G67-V69 PolarHBondContact O-N 3.33Å; G67-V69 VanDerWaalsContact O-N 3.08Å; V69-L71 PolarHBondContact O-N 3.39Å
70	T	30.2	Very low	33.3	Very low	94 Å²	94	138.3 Å²	138.3	58%	0.577	71%	0.708	S	S	*	*			trans	-66.7	123.9	169.3	42.9	0	0	0	0	110.2	L72	T70-L72 PolarHBondContact O-N 3.36Å
71	L	33.5	Very low	34.2	Very low	172 Å²	172	137.6 Å²	137.6	90%	0.901	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	11.2	-175.9	-156.2	76.6	0	0	0	115.4	V69	V69-L71 PolarHBondContact O-N 3.39Å
72	L	30.4	Very low	35.1	Very low	144 Å²	144	131.8 Å²	131.8	75%	0.754	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	-10	-175.2	-85.3	153.5	0	0	0	114.5	T70	T70-L72 PolarHBondContact O-N 3.36Å
73	N	30.9	Very low	36	Very low	100 Å²	100	129.9 Å²	129.9	54%	0.535	68%	0.678	S	S	.	*	S	Bend	trans	-96.5	-14.9	-179.3	-75.1	-6.4	0	0	0	114.8	T75 R76 D77	N73-T75 VanDerWaalsContact C-N 3.29Å; N73-T75 PolarHBondContact O-N 2.83Å; N73-R76 PolarHBondContact O-N 2.93Å; N73-D77 PolarHBondContact O-N 3.19Å
74	A	39.2	Very low	36.9	Very low	64 Å²	64	124.1 Å²	124.1	53%	0.529	66%	0.662	S	S	.	*	H	α-helix	trans	-66	-27.5	-174.4	0	0	0	0	0	113.9	S78	A74-S78 WeakPolarHBondContact O-CB 3.48Å; A74-S78 PolarHBondContact O-N 3.46Å; A74-S78 PolarHBondContact O-OG 3.45Å
75	T	42.2	Very low	37.9	Very low	110 Å²	110	119.8 Å²	119.8	68%	0.675	64%	0.644	S	S	*	*	H	α-helix	trans	-78.9	-32.6	178.8	42.1	0	0	0	0	112.7	N73 L79	N73-T75 VanDerWaalsContact C-N 3.29Å; N73-T75 PolarHBondContact O-N 2.83Å; T75-L79 PolarHBondContact O-N 2.69Å
76	R	38.2	Very low	38.7	Very low	200 Å²	200	118.4 Å²	118.4	76%	0.755	63%	0.634	S	S	*	*	H	α-helix	trans	-78	-38.8	179.9	-155.3	174.1	-174.9	164.3	1.2	111.8	N73 L79 M80	N73-R76 PolarHBondContact O-N 2.93Å; R76-L79 PolarHBondContact O-N 3.46Å; R76-M80 WeakPolarHBondContact O-CB 3.42Å; R76-M80 PolarHBondContact O-N 3.48Å
77	D	45.1	Very low	39.4	Very low	96 Å²	96	116.9 Å²	116.9	51%	0.513	63%	0.629	S	S	.	*	H	α-helix	trans	-67.3	-37.2	174.2	-73.1	-19.7	0	0	0	111.6	N73 L79 M80 M81	N73-D77 PolarHBondContact O-N 3.19Å; D77-L79 PolarHBondContact O-N 2.69Å; D77-M80 PolarHBondContact O-N 3.22Å; D77-M81 WeakPolarHBondContact O-CB 3.44Å; D77-M81 WeakPolarHBondContact O-CG 3.1Å; D77-M81 PolarHBondContact O-N 3.34Å
78	S	44.6	Very low	40.5	Very low	70 Å²	70	116.9 Å²	116.9	49%	0.49	62%	0.615	S	S	.	*	H	α-helix	trans	-65.1	-38.5	175.4	-62.6	0	0	0	0	112.5	A74 M81 I82	A74-S78 WeakPolarHBondContact O-CB 3.48Å; A74-S78 PolarHBondContact O-N 3.46Å; A74-S78 PolarHBondContact O-OG 3.45Å; S78-M81 PolarHBondContact O-N 3.41Å; S78-I82 WeakPolarHBondContact O-CD1 3.36Å; S78-I82 VanDerWaalsContact O-CG1 3.27Å; S78-I82 WeakPolarHBondContact O-CG1 3.34Å; S78-I82 PolarHBondContact O-N 3.15Å; S78-I82 VanDerWaalsContact O-N 3.15Å
79	L	41.4	Very low	41.6	Very low	109 Å²	109	117 Å²	117	57%	0.571	61%	0.608	S	S	*	*	H	α-helix	trans	-69.8	-41.1	177.2	-144.9	82.6	0	0	0	111.6	T75 R76 D77 M81 I82 E83	T75-L79 PolarHBondContact O-N 2.69Å; R76-L79 PolarHBondContact O-N 3.46Å; D77-L79 PolarHBondContact O-N 2.69Å; L79-M81 VanDerWaalsContact C-N 3.32Å; L79-M81 PolarHBondContact O-N 3.07Å; L79-I82 PolarHBondContact O-N 3.03Å; L79-E83 PolarHBondContact O-N 2.77Å
80	M	41.2	Very low	42.5	Very low	113 Å²	113	115.6 Å²	115.6	56%	0.557	60%	0.604	S	S	*	*	H	α-helix	trans	-66	-34.3	176.6	-161.1	174.5	168.1	0	0	111.8	R76 D77 M84	R76-M80 WeakPolarHBondContact O-CB 3.42Å; R76-M80 PolarHBondContact O-N 3.48Å; D77-M80 PolarHBondContact O-N 3.22Å; M80-M84 VanDerWaalsContact O-CB 3.31Å; M80-M84 WeakPolarHBondContact O-CB 3.26Å; M80-M84 WeakPolarHBondContact O-CG 3.47Å; M80-M84 PolarHBondContact O-N 2.73Å
81	M	45.8	Very low	44	Very low	128 Å²	128	120.1 Å²	120.1	63%	0.631	61%	0.61	S	S	*	*	H	α-helix	trans	-68	-34.8	172.4	-69.6	-73.6	172	0	0	112.6	D77 S78 L79 D85	D77-M81 WeakPolarHBondContact O-CB 3.44Å; D77-M81 WeakPolarHBondContact O-CG 3.1Å; D77-M81 PolarHBondContact O-N 3.34Å; S78-M81 PolarHBondContact O-N 3.41Å; L79-M81 VanDerWaalsContact C-N 3.32Å; L79-M81 PolarHBondContact O-N 3.07Å; M81-D85 WeakPolarHBondContact O-CB 3.39Å; M81-D85 PolarHBondContact O-N 3.4Å
82	I	48.8	Very low	45.7	Very low	98 Å²	98	117 Å²	117	50%	0.503	60%	0.598	S	S	.	*	H	α-helix	trans	-71.3	-41.4	175.8	-67.5	163.5	0	0	0	110.9	S78 L79 D85 Q86	S78-I82 WeakPolarHBondContact O-CD1 3.36Å; S78-I82 VanDerWaalsContact O-CG1 3.27Å; S78-I82 WeakPolarHBondContact O-CG1 3.34Å; S78-I82 PolarHBondContact O-N 3.15Å; S78-I82 VanDerWaalsContact O-N 3.15Å; L79-I82 PolarHBondContact O-N 3.03Å; I82-D85 PolarHBondContact O-N 3.27Å; I82-Q86 WeakPolarHBondContact O-CG 3.4Å; I82-Q86 PolarHBondContact O-N 2.99Å
83	E	43.4	Very low	48.2	Very low	119 Å²	119	113.1 Å²	113.1	56%	0.556	58%	0.576	S	S	*	*	H	α-helix	trans	-67	-38.8	174.8	-75.4	-180	158.8	0	0	112	L79 Q86 M87	L79-E83 PolarHBondContact O-N 2.77Å; E83-Q86 PolarHBondContact O-N 3.02Å; E83-M87 PolarHBondContact O-N 2.96Å
84	M	48	Very low	51	Low	110 Å²	110	116.5 Å²	116.5	54%	0.542	58%	0.582	S	S	.	*	H	α-helix	trans	-65.2	-38.8	172	-75.7	-178.7	70.4	0	0	112.1	M80 Q86 M87 N88	M80-M84 VanDerWaalsContact O-CB 3.31Å; M80-M84 WeakPolarHBondContact O-CB 3.26Å; M80-M84 WeakPolarHBondContact O-CG 3.47Å; M80-M84 PolarHBondContact O-N 2.73Å; M84-Q86 VanDerWaalsContact C-N 3.34Å; M84-M87 PolarHBondContact O-N 3Å; M84-N88 WeakPolarHBondContact O-CB 3.41Å; M84-N88 PolarHBondContact O-N 3.13Å
85	D	47	Very low	53.7	Low	74 Å²	74	116 Å²	116	40%	0.396	57%	0.574	S	S	.	*	H	α-helix	trans	-70	-30.4	176.9	-160.3	57.3	0	0	0	112.3	M81 I82 R159	M81-D85 WeakPolarHBondContact O-CB 3.39Å; M81-D85 PolarHBondContact O-N 3.4Å; I82-D85 PolarHBondContact O-N 3.27Å; D85-R159 IonicContact OD1-NH1 2.96Å
86	Q	46.6	Very low	56.2	Low	139 Å²	139	113.2 Å²	113.2	65%	0.65	55%	0.554	S	S	*	*	H	α-helix	trans	-73.4	-38	171.1	-74.6	-174.9	-12.4	0	0	112.9	I82 E83 M84	I82-Q86 WeakPolarHBondContact O-CG 3.4Å; I82-Q86 PolarHBondContact O-N 2.99Å; E83-Q86 PolarHBondContact O-N 3.02Å; M84-Q86 VanDerWaalsContact C-N 3.34Å
87	M	45.2	Very low	58.9	Low	151 Å²	151	109.1 Å²	109.1	74%	0.744	55%	0.554	S	S	*	*	H	α-helix	trans	-71.9	-23.9	174	-84.1	-175.3	82.9	0	0	113.8	E83 M84	E83-M87 PolarHBondContact O-N 2.96Å; M84-M87 PolarHBondContact O-N 3Å
88	N	49.7	Very low	61.4	Low	59 Å²	59	108.2 Å²	108.2	32%	0.316	55%	0.548	S	S	.	.	G	3₁₀ helix	trans	-86.4	-6.6	-177.4	-121.1	-0.7	0	0	0	114.8	M84 S90 R159	M84-N88 WeakPolarHBondContact O-CB 3.41Å; M84-N88 PolarHBondContact O-N 3.13Å; N88-S90 PolarHBondContact O-N 3.48Å; N88-S90 VanDerWaalsContact O-N 3.15Å; N88-R159 PolarHBondContact ND2-NH2 3.38Å
89	K	50	Low	63.9	Low	170 Å²	170	106.3 Å²	106.3	74%	0.739	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-69.5	-5.7	-179.8	-83	176.3	-177.9	174.7	0	114.6
90	S	51.9	Low	66.6	Low	107 Å²	107	103.3 Å²	103.3	75%	0.748	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-115.8	-0.1	-176	66.3	0	0	0	0	115.6	N88	N88-S90 PolarHBondContact O-N 3.48Å; N88-S90 VanDerWaalsContact O-N 3.15Å
91	R	60.8	Low	69.2	Low	190 Å²	190	99.9 Å²	99.9	72%	0.717	50%	0.496	S	S	*	.			trans	-97.4	118	176.7	-69.8	-173.9	-179.2	-169.2	1.3	110.3	E93	R91-E93 PolarHBondContact O-N 3.31Å
92	V	69.2	Low	71.6	Confident	106 Å²	106	102.8 Å²	102.8	64%	0.642	50%	0.5	S	S	*	.			trans	-61.6	107.5	166.2	179.7	0	0	0	0	107.2	Y94	V92-Y94 HydrophobicContact CB-CE2 4.11Å; V92-Y94 HydrophobicContact CG1-CD2 4.44Å; V92-Y94 HydrophobicContact CG1-CE1 4.22Å; V92-Y94 HydrophobicContact CG1-CE2 3.85Å; V92-Y94 WeakPolarHBondContact O-CD2 3.25Å; V92-Y94 WeakPolarHBondContact O-CE2 3.44Å
93	E	82.2	Confident	73.9	Confident	62 Å²	62	104.9 Å²	104.9	29%	0.29	50%	0.503	S	S	.	.			trans	-76	129.9	174.3	-67.5	-176.4	-173.6	0	0	108.9	R91 M158 R159	R91-E93 PolarHBondContact O-N 3.31Å; E93-M158 HydrophobicContact CB-CB 4.12Å; E93-M158 HydrophobicContact CB-CG 3.72Å; E93-M158 WeakPolarHBondContact O-CG 3.45Å; E93-R159 IonicContact OE1-NE 2.59Å; E93-R159 PolarHBondContact OE1-NE 2.95Å; E93-R159 IonicContact OE1-NH2 3.79Å; E93-R159 WeakPolarHBondContact OE2-CA 3.39Å; E93-R159 VanDerWaalsContact OE2-CB 3.27Å; E93-R159 WeakPolarHBondContact OE2-CB 3.24Å; E93-R159 PolarHBondContact OE2-N 3.16Å
94	Y	90.9	Very high	76.5	Confident	171 Å²	171	102 Å²	102	67%	0.671	49%	0.489	S	S	*	.			trans	-104.6	157.8	174.1	-67.9	-84.2	0	0	0	109.8	V92 I96 N162	V92-Y94 HydrophobicContact CB-CE2 4.11Å; V92-Y94 HydrophobicContact CG1-CD2 4.44Å; V92-Y94 HydrophobicContact CG1-CE1 4.22Å; V92-Y94 HydrophobicContact CG1-CE2 3.85Å; V92-Y94 WeakPolarHBondContact O-CD2 3.25Å; V92-Y94 WeakPolarHBondContact O-CE2 3.44Å; Y94-I96 PolarHBondContact O-N 3.38Å; Y94-N162 PolarHBondContact O-ND2 3.29Å; Y94-N162 PolarHBondContact O-OD1 2.87Å
95	P	94.9	Very high	78.8	Confident	54 Å²	54	105.9 Å²	105.9	35%	0.351	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-62.3	132.3	174.3	26	-33	0	0	0	109.8	M158 N162 Y178	P95-M158 HydrophobicContact CB-SD 4.02Å; P95-M158 VanDerWaalsContact N-SD 3.44Å; P95-N162 WeakPolarHBondContact CA-OD1 3.37Å; P95-Y178 HydrophobicContact CB-CD2 3.93Å; P95-Y178 HydrophobicContact CB-CG 3.89Å; P95-Y178 HydrophobicContact CG-CD1 4.36Å; P95-Y178 HydrophobicContact CG-CG 4.2Å
96	I	95	Very high	81.2	Confident	51 Å²	51	107.9 Å²	107.9	26%	0.262	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-62.8	155.2	173.8	61.4	168.3	0	0	0	110.9	Y94 M98 I99 N162	Y94-I96 PolarHBondContact O-N 3.38Å; I96-M98 PolarHBondContact O-N 2.88Å; I96-I99 HydrophobicContact CD1-CD1 4.01Å; I96-I99 HydrophobicContact CD1-CG1 4.48Å; I96-N162 WeakPolarHBondContact CD1-O 3.09Å; I96-N162 HydrophobicContact CG2-CB 4Å; I96-N162 PolarHBondContact N-OD1 3.01Å
97	P	95.7	Very high	83.7	Confident	115 Å²	115	101.7 Å²	101.7	75%	0.747	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-53.2	142	169.1	-25.5	34.9	0	0	0	111.6	I99	P97-I99 PolarHBondContact O-N 2.59Å; P97-I99 VanDerWaalsContact O-N 3.14Å
98	M	96.5	Very high	86.1	Confident	77 Å²	77	95.1 Å²	95.1	38%	0.379	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-59.9	120.3	179.5	-171.2	-175.4	-53.6	0	0	110.5	I96 H100 A177	I96-M98 PolarHBondContact O-N 2.88Å; M98-H100 VanDerWaalsContact SD-CE1 3.55Å; M98-A177 HydrophobicContact CE-CB 3.76Å
99	I	97.4	Very high	88.3	Confident	29 Å²	29	97.9 Å²	97.9	15%	0.149	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-80.8	131.4	171.7	-60.5	172	0	0	0	107.8	I96 P97 F104 H166 M174 D175	I96-I99 HydrophobicContact CD1-CD1 4.01Å; I96-I99 HydrophobicContact CD1-CG1 4.48Å; P97-I99 PolarHBondContact O-N 2.59Å; P97-I99 VanDerWaalsContact O-N 3.14Å; I99-F104 HydrophobicContact CG2-CE2 3.66Å; I99-F104 HydrophobicContact CG2-CZ 3.99Å; I99-H166 HydrophobicContact CD1-CB 4.44Å; I99-M174 HydrophobicContact CB-CG 4.14Å; I99-M174 HydrophobicContact CG2-CE 3.95Å; I99-M174 HydrophobicContact CG2-CG 4Å; I99-M174 HydrophobicContact CG2-SD 4.18Å; I99-M174 WeakPolarHBondContact O-CG 3.38Å; I99-D175 PolarHBondContact O-N 3.44Å
100	H	97.8	Very high	90.5	Very high	46 Å²	46	92.7 Å²	92.7	21%	0.213	43%	0.434	C	S	.	.			trans	-104.1	134.3	-178.8	-63.9	-72.4	0	0	0	113.1	M98 R102 Y103 D175	M98-H100 VanDerWaalsContact SD-CE1 3.55Å; H100-R102 HydrophobicContact CB-CG 3.91Å; H100-R102 PolarHBondContact O-N 3.35Å; H100-R102 VanDerWaalsContact O-N 3.16Å; H100-Y103 HydrophobicContact CB-CD2 3.93Å; H100-Y103 HydrophobicContact CB-CE1 4.43Å; H100-Y103 HydrophobicContact CB-CE2 3.75Å; H100-Y103 HydrophobicContact CB-CG 4.36Å; H100-Y103 AromaticContact CD2-CE2 3.69Å; H100-Y103 AromaticContact CD2-CZ 3.72Å; H100-Y103 PolarHBondContact CD2-OH 3.07Å; H100-Y103 WeakPolarHBondContact O-CB 3.18Å; H100-Y103 PolarHBondContact O-N 3.06Å; H100-Y103 VanDerWaalsContact O-N 3.12Å; H100-D175 WeakPolarHBondContact CA-OD1 3.46Å; H100-D175 WeakPolarHBondContact CB-OD1 3.37Å; H100-D175 IonicContact CE1-OD1 3.5Å; H100-D175 IonicContact CG-OD1 3.85Å; H100-D175 IonicContact ND1-OD1 3.67Å; H100-D175 PolarHBondContact ND1-OD1 2.99Å
101	K	96.7	Very high	92.6	Very high	41 Å²	41	94.8 Å²	94.8	18%	0.178	44%	0.443	C	S	.	.	G	3₁₀ helix	trans	-59.6	-31.3	178.6	-67.1	161.9	-159.5	171.2	0	112.1	Y103 F104 N168 N169 M174 D175 W351 A352	K101-Y103 PolarHBondContact O-N 2.91Å; K101-F104 PolarHBondContact O-N 3.07Å; K101-N168 HydrophobicContact CD-CB 4.31Å; K101-N168 HydrophobicContact CG-CB 4.34Å; K101-N169 PolarHBondContact NZ-ND2 2.54Å; K101-M174 HydrophobicContact CB-SD 4.2Å; K101-M174 WeakPolarHBondContact CE-O 3.35Å; K101-M174 HydrophobicContact CG-CG 4Å; K101-M174 HydrophobicContact CG-SD 3.42Å; K101-M174 WeakPolarHBondContact CG-SD 3.45Å; K101-D175 WeakPolarHBondContact CB-OD2 3.13Å; K101-D175 HydrophobicContact CD-CB 4.49Å; K101-D175 WeakPolarHBondContact CD-OD2 3.27Å; K101-D175 WeakPolarHBondContact CE-OD2 3.39Å; K101-D175 WeakPolarHBondContact CG-OD2 3.23Å; K101-D175 PolarHBondContact N-OD2 3.45Å; K101-W351 HydrophobicContact CB-CH2 4.26Å; K101-W351 HydrophobicContact CB-CZ2 3.99Å; K101-W351 HydrophobicContact CG-CH2 4.03Å; K101-W351 HydrophobicContact CG-CZ2 4.27Å; K101-A352 HydrophobicContact CB-CB 4.45Å; K101-A352 HydrophobicContact CD-CB 4.03Å; K101-A352 HydrophobicContact CG-CB 4.42Å
102	R	96.2	Very high	94.2	Very high	190 Å²	190	87.9 Å²	87.9	72%	0.717	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-59.2	-18.2	179.4	74.6	-172.7	174.5	-179.6	-2.8	114	H100 F104	H100-R102 HydrophobicContact CB-CG 3.91Å; H100-R102 PolarHBondContact O-N 3.35Å; H100-R102 VanDerWaalsContact O-N 3.16Å; R102-F104 PolarHBondContact O-N 3.46Å
103	Y	97.2	Very high	95.4	Very high	142 Å²	142	83.7 Å²	83.7	56%	0.557	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-77.9	-8.6	176.9	-58	-28.1	0	0	0	113.3	H100 K101	H100-Y103 HydrophobicContact CB-CD2 3.93Å; H100-Y103 HydrophobicContact CB-CE1 4.43Å; H100-Y103 HydrophobicContact CB-CE2 3.75Å; H100-Y103 HydrophobicContact CB-CG 4.36Å; H100-Y103 AromaticContact CD2-CE2 3.69Å; H100-Y103 AromaticContact CD2-CZ 3.72Å; H100-Y103 PolarHBondContact CD2-OH 3.07Å; H100-Y103 WeakPolarHBondContact O-CB 3.18Å; H100-Y103 PolarHBondContact O-N 3.06Å; H100-Y103 VanDerWaalsContact O-N 3.12Å; K101-Y103 PolarHBondContact O-N 2.91Å
104	F	97.7	Very high	95.9	Very high	58 Å²	58	84.6 Å²	84.6	25%	0.254	40%	0.398	S	S	.	.			trans	-123.9	133.8	-174.8	-49.8	-83.7	0	0	0	112.3	I99 K101 R102 K106 P108 W110 M174 W351	I99-F104 HydrophobicContact CG2-CE2 3.66Å; I99-F104 HydrophobicContact CG2-CZ 3.99Å; K101-F104 PolarHBondContact O-N 3.07Å; R102-F104 PolarHBondContact O-N 3.46Å; F104-K106 WeakPolarHBondContact CB-O 3.24Å; F104-P108 HydrophobicContact CB-CG 4.09Å; F104-P108 HydrophobicContact CD1-CB 4.04Å; F104-P108 HydrophobicContact CD1-CG 3.53Å; F104-P108 HydrophobicContact CD2-CG 3.75Å; F104-P108 HydrophobicContact CE1-CB 3.96Å; F104-P108 HydrophobicContact CE1-CG 3.73Å; F104-P108 HydrophobicContact CE2-CG 3.95Å; F104-P108 HydrophobicContact CG-CB 4.5Å; F104-P108 HydrophobicContact CG-CG 3.52Å; F104-P108 HydrophobicContact CZ-CB 4.38Å; F104-P108 HydrophobicContact CZ-CG 3.94Å; F104-W110 HydrophobicContact CE1-CH2 4.25Å; F104-W110 AromaticContact CZ-CH2 3.91Å; F104-W110 HydrophobicContact CZ-CH2 3.91Å; F104-W110 HydrophobicContact CZ-CZ2 4.09Å; F104-M174 HydrophobicContact CD2-SD 4.42Å; F104-M174 HydrophobicContact CE2-CE 4.18Å; F104-M174 HydrophobicContact CE2-SD 4.24Å; F104-W351 HydrophobicContact CB-CZ2 3.79Å; F104-W351 HydrophobicContact CD2-CZ2 4.29Å; F104-W351 HydrophobicContact CG-CZ2 4.46Å; F104-W351 PolarHBondContact O-NE1 3.17Å
105	K	97.2	Very high	96.2	Very high	192 Å²	192	81.1 Å²	81.1	84%	0.835	39%	0.39	S	S	*	.	S	Bend	trans	-86.4	-15.6	176.3	-63.8	-177.3	179.4	178.2	0	113.6	R348 G349	K105-R348 CarbonylContact O-C 3.25Å; K105-G349 WeakPolarHBondContact O-CA 3.48Å
106	K	97.3	Very high	96.3	Very high	116 Å²	116	79.5 Å²	79.5	50%	0.504	38%	0.377	S	S	.	.	S	Bend	trans	-149.2	172.9	178.6	60.7	176.8	-177.2	177.8	0	109.4	F104 P108 L346 W351	F104-K106 WeakPolarHBondContact CB-O 3.24Å; K106-P108 WeakPolarHBondContact O-CD 3.16Å; K106-L346 WeakPolarHBondContact CB-O 3.41Å; K106-W351 VanDerWaalsContact C-CG 3.4Å
107	L	97.3	Very high	96.4	Very high	8 Å²	8	78.2 Å²	78.2	4%	0.042	37%	0.371	C	S	.	.			trans	-54.2	121	176.2	-176.9	72	0	0	0	110.3	Q109 L346 W351	L107-Q109 PolarHBondContact O-NE2 3.15Å; L107-L346 HydrophobicContact CB-CB 3.99Å; L107-L346 HydrophobicContact CB-CD2 4.29Å; L107-L346 HydrophobicContact CD1-CD2 4.47Å; L107-L346 HydrophobicContact CD2-CB 4.33Å; L107-L346 HydrophobicContact CD2-CD1 3.98Å; L107-L346 HydrophobicContact CD2-CD2 4.11Å; L107-L346 HydrophobicContact CD2-CG 4.36Å; L107-L346 PolarHBondContact N-O 3.39Å; L107-W351 HydrophobicContact CB-CE3 4.11Å; L107-W351 HydrophobicContact CD1-CE3 3.76Å; L107-W351 HydrophobicContact CD1-CZ3 3.81Å
108	P	97.1	Very high	96.4	Very high	13 Å²	13	76.5 Å²	76.5	8%	0.084	36%	0.355	C	S	.	.			trans	-58.1	148.7	174.4	-21.6	33.1	0	0	0	110.8	F104 K106 W110 M174 W351	F104-P108 HydrophobicContact CB-CG 4.09Å; F104-P108 HydrophobicContact CD1-CB 4.04Å; F104-P108 HydrophobicContact CD1-CG 3.53Å; F104-P108 HydrophobicContact CD2-CG 3.75Å; F104-P108 HydrophobicContact CE1-CB 3.96Å; F104-P108 HydrophobicContact CE1-CG 3.73Å; F104-P108 HydrophobicContact CE2-CG 3.95Å; F104-P108 HydrophobicContact CG-CB 4.5Å; F104-P108 HydrophobicContact CG-CG 3.52Å; F104-P108 HydrophobicContact CZ-CB 4.38Å; F104-P108 HydrophobicContact CZ-CG 3.94Å; K106-P108 WeakPolarHBondContact O-CD 3.16Å; P108-W110 HydrophobicContact CB-CD2 4.45Å; P108-W110 HydrophobicContact CB-CH2 4.31Å; P108-W110 HydrophobicContact CB-CZ2 3.55Å; P108-W110 HydrophobicContact CG-CZ2 4.12Å; P108-M174 HydrophobicContact CG-CE 4.38Å; P108-W351 HydrophobicContact CG-CH2 4.29Å
109	Q	95.6	Very high	96.3	Very high	117 Å²	117	76.1 Å²	76.1	55%	0.547	36%	0.355	S	S	.	.			trans	-114.5	118.2	173.3	-62.4	-59.2	-76.1	0	0	108.3	L107	L107-Q109 PolarHBondContact O-NE2 3.15Å
110	W	96.1	Very high	95.9	Very high	62 Å²	62	78.8 Å²	78.8	24%	0.235	38%	0.381	C	S	.	.			trans	-104.5	151.7	178.6	-49.1	107.4	0	0	0	109.9	F104 P108 F112 E113 H166 F167	F104-W110 HydrophobicContact CE1-CH2 4.25Å; F104-W110 AromaticContact CZ-CH2 3.91Å; F104-W110 HydrophobicContact CZ-CH2 3.91Å; F104-W110 HydrophobicContact CZ-CZ2 4.09Å; P108-W110 HydrophobicContact CB-CD2 4.45Å; P108-W110 HydrophobicContact CB-CH2 4.31Å; P108-W110 HydrophobicContact CB-CZ2 3.55Å; P108-W110 HydrophobicContact CG-CZ2 4.12Å; W110-F112 HydrophobicContact CB-CD1 4.16Å; W110-F112 HydrophobicContact CB-CD2 4.31Å; W110-F112 HydrophobicContact CB-CE1 3.92Å; W110-F112 HydrophobicContact CB-CE2 4.08Å; W110-F112 HydrophobicContact CB-CG 4.35Å; W110-F112 HydrophobicContact CB-CZ 3.87Å; W110-F112 HydrophobicContact CD2-CZ 4.49Å; W110-F112 HydrophobicContact CG-CE2 4.36Å; W110-F112 HydrophobicContact CG-CZ 4.12Å; W110-F112 PolarHBondContact O-N 3.45Å; W110-F112 VanDerWaalsContact O-N 3.13Å; W110-E113 VanDerWaalsContact O-CB 3.29Å; W110-E113 WeakPolarHBondContact O-CB 3.39Å; W110-E113 PolarHBondContact O-N 3.21Å; W110-E113 VanDerWaalsContact O-N 3.08Å; W110-H166 HydrophobicContact CD2-CB 4.28Å; W110-H166 AromaticContact CE3-CD2 3.96Å; W110-H166 AromaticContact CH2-CD2 3.9Å; W110-H166 HydrophobicContact CZ2-CB 4.12Å; W110-H166 AromaticContact CZ3-CD2 3.87Å; W110-H166 PolarHBondContact NE1-O 3.4Å; W110-F167 AromaticContact CD1-CD1 3.96Å; W110-F167 AromaticContact CD1-CE1 3.51Å; W110-F167 HydrophobicContact CG-CE1 4.48Å
111	T	95.8	Very high	95.3	Very high	150 Å²	150	81.8 Å²	81.8	92%	0.92	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.1	176.6	50.4	0	0	0	0	112.8
112	F	95.3	Very high	94.6	Very high	46 Å²	46	82 Å²	82	20%	0.202	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	23.8	177.4	54.7	-90.3	0	0	0	113	W110 D114 I115 R163 H166 F167 R334	W110-F112 HydrophobicContact CB-CD1 4.16Å; W110-F112 HydrophobicContact CB-CD2 4.31Å; W110-F112 HydrophobicContact CB-CE1 3.92Å; W110-F112 HydrophobicContact CB-CE2 4.08Å; W110-F112 HydrophobicContact CB-CG 4.35Å; W110-F112 HydrophobicContact CB-CZ 3.87Å; W110-F112 HydrophobicContact CD2-CZ 4.49Å; W110-F112 HydrophobicContact CG-CE2 4.36Å; W110-F112 HydrophobicContact CG-CZ 4.12Å; W110-F112 PolarHBondContact O-N 3.45Å; W110-F112 VanDerWaalsContact O-N 3.13Å; F112-D114 PolarHBondContact O-N 3.21Å; F112-D114 VanDerWaalsContact O-N 3.08Å; F112-I115 HydrophobicContact CB-CB 4.31Å; F112-I115 HydrophobicContact CB-CD1 3.68Å; F112-I115 HydrophobicContact CB-CG1 4.03Å; F112-I115 PolarHBondContact O-N 3.45Å; F112-R163 HydrophobicContact CD2-CG 4.08Å; F112-R163 HydrophobicContact CE2-CG 4.02Å; F112-H166 HydrophobicContact CE2-CB 4.18Å; F112-H166 HydrophobicContact CZ-CB 4.09Å; F112-H166 AromaticContact CZ-CD2 3.87Å; F112-H166 AromaticContact CZ-CG 3.75Å; F112-F167 HydrophobicContact CD2-CE2 4.3Å; F112-F167 AromaticContact CD2-CZ 3.76Å; F112-F167 HydrophobicContact CD2-CZ 3.76Å; F112-F167 AromaticContact CE2-CE2 3.92Å; F112-F167 HydrophobicContact CE2-CE2 3.92Å; F112-F167 AromaticContact CE2-CZ 3.59Å; F112-F167 HydrophobicContact CE2-CZ 3.59Å; F112-R334 PolarHBondContact O-NH2 3.28Å
113	E	93.2	Very high	93.6	Very high	17 Å²	17	83.7 Å²	83.7	8%	0.079	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.8	-178.6	-173.6	59.7	-138.4	0	0	113.5	W110 F167 R334 R337 N338	W110-E113 VanDerWaalsContact O-CB 3.29Å; W110-E113 WeakPolarHBondContact O-CB 3.39Å; W110-E113 PolarHBondContact O-N 3.21Å; W110-E113 VanDerWaalsContact O-N 3.08Å; E113-F167 WeakPolarHBondContact OE2-CE1 3.21Å; E113-R334 PolarHBondContact O-NH2 2.84Å; E113-R337 IonicContact OE1-NH2 2.67Å; E113-R337 PolarHBondContact OE1-NH2 3.13Å; E113-N338 PolarHBondContact O-ND2 3.05Å; E113-N338 VanDerWaalsContact O-ND2 3.09Å; E113-N338 PolarHBondContact OE1-ND2 3.47Å
114	D	93.4	Very high	92.7	Very high	82 Å²	82	82.9 Å²	82.9	44%	0.439	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	16.7	-176.5	-156.1	34.8	0	0	0	113.3	F112 Y116 R339	F112-D114 PolarHBondContact O-N 3.21Å; F112-D114 VanDerWaalsContact O-N 3.08Å; D114-Y116 WeakPolarHBondContact O-CD2 3.4Å; D114-Y116 VanDerWaalsContact O-CE2 3.32Å; D114-Y116 WeakPolarHBondContact O-CE2 3.41Å; D114-Y116 WeakPolarHBondContact OD1-CE2 3.34Å; D114-Y116 VanDerWaalsContact OD1-CZ 3.28Å; D114-Y116 PolarHBondContact OD1-OH 3.26Å; D114-R339 IonicContact OD1-CZ 3.48Å; D114-R339 IonicContact OD1-NE 3.24Å; D114-R339 PolarHBondContact OD1-NE 2.77Å; D114-R339 IonicContact OD1-NH2 3.93Å; D114-R339 PolarHBondContact OD1-NH2 2.94Å; D114-R339 VanDerWaalsContact OD1-NH2 3.08Å; D114-R339 IonicContact OD2-CZ 3.83Å; D114-R339 VanDerWaalsContact OD2-CZ 3.24Å; D114-R339 IonicContact OD2-NE 3.52Å; D114-R339 IonicContact OD2-NH2 3.7Å; D114-R339 PolarHBondContact OD2-NH2 3.28Å
115	I	96.6	Very high	91.9	Very high	98 Å²	98	81.8 Å²	81.8	50%	0.503	43%	0.427	S	S	.	.			trans	-92.2	125.8	170.4	-56.7	-174.6	0	0	0	108.8	F112 R163 R334	F112-I115 HydrophobicContact CB-CB 4.31Å; F112-I115 HydrophobicContact CB-CD1 3.68Å; F112-I115 HydrophobicContact CB-CG1 4.03Å; F112-I115 PolarHBondContact O-N 3.45Å; I115-R163 PolarHBondContact O-NH1 3.18Å; I115-R334 PolarHBondContact O-NH1 2.9Å
116	Y	97.4	Very high	91.3	Very high	19 Å²	19	82.2 Å²	82.2	8%	0.075	43%	0.429	C	S	.	.			trans	-129.7	154.3	-179.7	-49.7	-74.4	0	0	0	111.2	D114 L118 L144 I147 D331 R334 N338	D114-Y116 WeakPolarHBondContact O-CD2 3.4Å; D114-Y116 VanDerWaalsContact O-CE2 3.32Å; D114-Y116 WeakPolarHBondContact O-CE2 3.41Å; D114-Y116 WeakPolarHBondContact OD1-CE2 3.34Å; D114-Y116 VanDerWaalsContact OD1-CZ 3.28Å; D114-Y116 PolarHBondContact OD1-OH 3.26Å; Y116-L118 PolarHBondContact O-N 2.88Å; Y116-L144 HydrophobicContact CD2-CD1 3.75Å; Y116-L144 HydrophobicContact CE2-CD1 4.12Å; Y116-I147 VanDerWaalsContact CB-CD1 3.48Å; Y116-I147 HydrophobicContact CD1-CD1 4.47Å; Y116-I147 HydrophobicContact CD2-CD1 4.45Å; Y116-I147 HydrophobicContact CG-CD1 3.91Å; Y116-D331 HydrophobicContact CD1-CB 4.01Å; Y116-R334 HydrophobicContact CD1-CB 4.29Å; Y116-R334 HydrophobicContact CE1-CB 3.81Å; Y116-N338 WeakPolarHBondContact OH-CB 3.47Å; Y116-N338 PolarHBondContact OH-ND2 3.19Å
117	N	96.6	Very high	91.1	Very high	25 Å²	25	76.8 Å²	76.8	13%	0.134	41%	0.405	C	S	.	.			trans	-67.4	125.5	164.3	-77.2	-26.7	0	0	0	111.2	R148 E160 H329 D331	N117-R148 HydrophobicContact CB-CB 4.01Å; N117-R148 WeakPolarHBondContact O-CB 3.33Å; N117-R148 PolarHBondContact O-N 2.95Å; N117-E160 PolarHBondContact ND2-OE2 3.39Å; N117-E160 PolarHBondContact OD1-OE2 3.42Å; N117-H329 PolarHBondContact ND2-CE1 3.46Å; N117-H329 VanDerWaalsContact ND2-CE1 3.32Å; N117-H329 PolarHBondContact ND2-NE2 3.34Å; N117-D331 WeakPolarHBondContact CB-OD2 3.35Å; N117-D331 PolarHBondContact N-OD2 2.8Å
118	L	96.4	Very high	90.8	Very high	78 Å²	78	80.6 Å²	80.6	41%	0.408	44%	0.438	S	S	.	.	B	Isolated β-bridge	trans	-111.8	145.6	174.3	-54.7	-179	0	0	0	109.7	Y116 L144 N146 I147 R148	Y116-L118 PolarHBondContact O-N 2.88Å; L118-L144 HydrophobicContact CD2-CD1 4.41Å; L118-N146 CarbonylContact C-O 3.53Å; L118-N146 WeakPolarHBondContact CA-O 3.33Å; L118-I147 HydrophobicContact CD2-CD1 4.1Å; L118-R148 PolarHBondContact O-NH2 2.9Å
119	D	94.3	Very high	90.5	Very high	70 Å²	70	86.8 Å²	86.8	37%	0.374	47%	0.466	S	S	.	.			trans	-91.5	176.3	168.9	-69.8	-31	0	0	0	110.5	N146 R148	D119-N146 PolarHBondContact N-O 2.87Å; D119-N146 PolarHBondContact O-ND2 3.27Å; D119-N146 VanDerWaalsContact O-ND2 3.12Å; D119-R148 IonicContact OD1-CZ 3.44Å; D119-R148 VanDerWaalsContact OD1-CZ 3.3Å; D119-R148 IonicContact OD1-NE 3.55Å; D119-R148 PolarHBondContact OD1-NE 3.25Å; D119-R148 IonicContact OD1-NH2 3.96Å; D119-R148 PolarHBondContact OD1-NH2 2.95Å; D119-R148 WeakPolarHBondContact OD2-CA 3.43Å
120	A	89.8	Confident	90.5	Very high	84 Å²	84	81.4 Å²	81.4	69%	0.694	44%	0.441	S	S	*	.	S	Bend	trans	-54.4	142.1	171.2	0	0	0	0	0	109.8
121	P	85.1	Confident	90.5	Very high	109 Å²	109	78.9 Å²	78.9	71%	0.708	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-49.4	133.8	178.5	-28.2	35	0	0	0	111.3
122	P	82	Confident	90.4	Very high	47 Å²	47	75.4 Å²	75.4	31%	0.305	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-61.8	148.1	177.8	27.2	-34.9	0	0	0	109.4	P145	P122-P145 HydrophobicContact CG-CB 3.93Å
123	R	74.9	Confident	90.4	Very high	224 Å²	224	77.3 Å²	77.3	85%	0.845	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-59.2	141.6	171.3	-66.6	-177.2	-178.2	-177.9	-0.4	109.1	T125	R123-T125 PolarHBondContact O-N 2.88Å
124	P	78	Confident	90.4	Very high	125 Å²	125	77.4 Å²	77.4	81%	0.812	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-50.5	130	171.9	-26.9	34.8	0	0	0	110.1
125	T	81.3	Confident	90.5	Very high	36 Å²	36	82.1 Å²	82.1	22%	0.221	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-68	143.4	175.6	-177.5	0	0	0	0	109.5	R123 C127 S130 D371	R123-T125 PolarHBondContact O-N 2.88Å; T125-C127 VanDerWaalsContact C-N 3.28Å; T125-C127 WeakPolarHBondContact OG1-CB 3.42Å; T125-C127 PolarHBondContact OG1-N 3.25Å; T125-C127 VanDerWaalsContact OG1-N 3.09Å; T125-S130 VanDerWaalsContact CG2-CB 3.47Å; T125-D371 WeakPolarHBondContact CB-OD1 3.43Å; T125-D371 PolarHBondContact OG1-OD1 2.74Å
126	K	84.4	Confident	90.6	Very high	201 Å²	201	78.2 Å²	78.2	87%	0.874	42%	0.417	S	S	*	.	S	Bend	trans	-84.6	-9.4	170.4	-66.1	-173.9	177	-174.3	0	111.8	A128	K126-A128 PolarHBondContact O-N 2.93Å
127	C	92.3	Very high	90.6	Very high	2 Å²	2	84.9 Å²	84.9	1%	0.014	45%	0.448	C	S	.	.			trans	-80.9	111	179.6	-178.5	0	0	0	0	110.4	T125 Q129 S130 N133 C205 D371	T125-C127 VanDerWaalsContact C-N 3.28Å; T125-C127 WeakPolarHBondContact OG1-CB 3.42Å; T125-C127 PolarHBondContact OG1-N 3.25Å; T125-C127 VanDerWaalsContact OG1-N 3.09Å; C127-Q129 PolarHBondContact O-N 3.11Å; C127-S130 VanDerWaalsContact O-CB 3.29Å; C127-S130 WeakPolarHBondContact O-CB 3.47Å; C127-S130 PolarHBondContact O-N 3.47Å; C127-S130 PolarHBondContact SG-N 2.95Å; C127-N133 PolarHBondContact O-ND2 3.24Å; C127-N133 VanDerWaalsContact O-ND2 3.1Å; C127-C205 VanDerWaalsContact CA-SG 3.59Å; C127-C205 HydrophobicContact CB-CB 3.77Å; C127-C205 WeakPolarHBondContact CB-SG 3.29Å; C127-C205 WeakPolarHBondContact SG-CB 3.22Å; C127-C205 CovalentContact SG-SG 2.02Å; C127-C205 PolarHBondContact SG-SG 2.88Å; C127-D371 HydrophobicContact CB-CB 3.82Å; C127-D371 VanDerWaalsContact SG-CB 3.56Å
128	A	90.4	Very high	90.6	Very high	88 Å²	88	88.2 Å²	88.2	73%	0.727	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-35.5	177.3	0	0	0	0	0	112.2	K126 S130 N133	K126-A128 PolarHBondContact O-N 2.93Å; A128-S130 VanDerWaalsContact C-N 3.26Å; A128-S130 PolarHBondContact O-N 3.34Å; A128-N133 PolarHBondContact O-ND2 2.92Å
129	Q	92.7	Very high	90.7	Very high	143 Å²	143	84.7 Å²	84.7	67%	0.668	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	9.1	-179.3	-66.2	-180	-21.3	0	0	113.9	C127 L131 I372	C127-Q129 PolarHBondContact O-N 3.11Å; Q129-L131 PolarHBondContact O-N 2.91Å; Q129-I372 HydrophobicContact CB-CD1 3.94Å; Q129-I372 HydrophobicContact CB-CG1 4.38Å
130	S	95.4	Very high	90.8	Very high	4 Å²	4	86.9 Å²	86.9	3%	0.028	46%	0.456	C	S	.	.			trans	-60.4	137.9	-179.4	-169.5	0	0	0	0	110.8	T125 C127 A128 R132 N133 D371	T125-S130 VanDerWaalsContact CG2-CB 3.47Å; C127-S130 VanDerWaalsContact O-CB 3.29Å; C127-S130 WeakPolarHBondContact O-CB 3.47Å; C127-S130 PolarHBondContact O-N 3.47Å; C127-S130 PolarHBondContact SG-N 2.95Å; A128-S130 VanDerWaalsContact C-N 3.26Å; A128-S130 PolarHBondContact O-N 3.34Å; S130-R132 PolarHBondContact O-N 2.64Å; S130-R132 PolarHBondContact OG-N 2.99Å; S130-N133 WeakPolarHBondContact O-CB 3.46Å; S130-N133 PolarHBondContact O-N 3.16Å; S130-D371 CarbonylContact C-O 3.54Å; S130-D371 WeakPolarHBondContact CA-O 3.22Å; S130-D371 WeakPolarHBondContact CB-OD1 3.38Å; S130-D371 PolarHBondContact OG-OD1 2.75Å
131	L	95.6	Very high	91.2	Very high	9 Å²	9	90.1 Å²	90.1	5%	0.047	45%	0.454	C	S	.	.	G	3₁₀ helix	trans	-53.6	-24.8	171.3	67.5	91.1	0	0	0	112.6	Q129 N133 S134 F139 F143 L367 D371 V373 I422	Q129-L131 PolarHBondContact O-N 2.91Å; L131-N133 PolarHBondContact O-N 3.05Å; L131-S134 VanDerWaalsContact O-CB 3.22Å; L131-S134 WeakPolarHBondContact O-CB 3.26Å; L131-S134 PolarHBondContact O-N 2.81Å; L131-S134 VanDerWaalsContact O-N 3.1Å; L131-F139 HydrophobicContact CD1-CE1 4.24Å; L131-F139 HydrophobicContact CD1-CZ 3.97Å; L131-F143 HydrophobicContact CD1-CE1 4.38Å; L131-F143 HydrophobicContact CD1-CE2 4.12Å; L131-F143 HydrophobicContact CD1-CZ 3.84Å; L131-L367 WeakPolarHBondContact CD1-O 3.47Å; L131-L367 HydrophobicContact CD2-CB 4.47Å; L131-L367 HydrophobicContact CD2-CD2 3.76Å; L131-D371 PolarHBondContact N-O 3.06Å; L131-V373 HydrophobicContact CD2-CG2 4.01Å; L131-I422 HydrophobicContact CB-CG2 4.24Å
132	R	93.8	Very high	91.8	Very high	77 Å²	77	85.7 Å²	85.7	29%	0.291	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-67.6	-17.5	176.9	-61.9	179.9	-179.1	176.6	0.4	113.1	S130 F143 H368	S130-R132 PolarHBondContact O-N 2.64Å; S130-R132 PolarHBondContact OG-N 2.99Å; R132-F143 HydrophobicContact CG-CE1 4.27Å; R132-H368 PolarHBondContact NH2-O 3.47Å
133	N	94.1	Very high	92.5	Very high	86 Å²	86	84.1 Å²	84.1	46%	0.46	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-96.3	12.3	175	-55.5	-25.4	0	0	0	111.9	C127 A128 S130 L131 E135	C127-N133 PolarHBondContact O-ND2 3.24Å; C127-N133 VanDerWaalsContact O-ND2 3.1Å; A128-N133 PolarHBondContact O-ND2 2.92Å; S130-N133 WeakPolarHBondContact O-CB 3.46Å; S130-N133 PolarHBondContact O-N 3.16Å; L131-N133 PolarHBondContact O-N 3.05Å; N133-E135 PolarHBondContact O-N 3.22Å
134	S	94.9	Very high	93.6	Very high	19 Å²	19	75 Å²	75	13%	0.133	38%	0.383	C	S	.	.			trans	-56.7	136.1	177.9	-179	0	0	0	0	111.3	L131 D136 Q140	L131-S134 VanDerWaalsContact O-CB 3.22Å; L131-S134 WeakPolarHBondContact O-CB 3.26Å; L131-S134 PolarHBondContact O-N 2.81Å; L131-S134 VanDerWaalsContact O-N 3.1Å; S134-D136 VanDerWaalsContact C-N 3.31Å; S134-D136 PolarHBondContact OG-N 3.25Å; S134-Q140 WeakPolarHBondContact O-CG 3.46Å; S134-Q140 PolarHBondContact O-NE2 2.75Å
135	E	94.8	Very high	94.4	Very high	180 Å²	180	72 Å²	72	84%	0.841	36%	0.363	S	S	*	.			trans	-88	2	175.5	-61.5	180	167.8	0	0	112.7	N133 E137	N133-E135 PolarHBondContact O-N 3.22Å; E135-E137 PolarHBondContact O-N 3.21Å
136	D	97.7	Very high	95.1	Very high	17 Å²	17	71.9 Å²	71.9	9%	0.091	36%	0.361	C	S	.	.			trans	-75.3	111.4	178.9	-174.7	-94.5	0	0	0	110.8	S134 D138 F139 Q140 W416 K420	S134-D136 VanDerWaalsContact C-N 3.31Å; S134-D136 PolarHBondContact OG-N 3.25Å; D136-D138 VanDerWaalsContact C-N 3.32Å; D136-D138 PolarHBondContact O-N 2.94Å; D136-D138 PolarHBondContact OD1-N 3.26Å; D136-F139 HydrophobicContact CB-CB 4.03Å; D136-F139 PolarHBondContact O-N 3.41Å; D136-F139 WeakPolarHBondContact OD1-CB 3.45Å; D136-F139 PolarHBondContact OD1-N 3.36Å; D136-Q140 WeakPolarHBondContact O-CG 3.43Å; D136-Q140 PolarHBondContact O-N 2.81Å; D136-W416 WeakPolarHBondContact OD1-CZ2 3.3Å; D136-K420 WeakPolarHBondContact OD2-CD 3.45Å; D136-K420 WeakPolarHBondContact OD2-CE 3.36Å; D136-K420 IonicContact OD2-NZ 2.74Å; D136-K420 PolarHBondContact OD2-NZ 2.99Å
137	E	97.6	Very high	95.7	Very high	158 Å²	158	62.6 Å²	62.6	74%	0.738	32%	0.321	S	S	*	.	H	α-helix	trans	-59.4	-39.2	-174.9	-64	-177.7	177.5	0	0	113.1	E135 Q140 K141	E135-E137 PolarHBondContact O-N 3.21Å; E137-Q140 PolarHBondContact O-N 3.48Å; E137-K141 WeakPolarHBondContact O-CB 3.34Å; E137-K141 PolarHBondContact O-N 3.02Å
138	D	97.4	Very high	96	Very high	96 Å²	96	64.6 Å²	64.6	51%	0.513	33%	0.328	S	S	.	.	H	α-helix	trans	-65	-43.5	178.5	-76.1	-33.7	0	0	0	110.6	D136 A142 W416	D136-D138 VanDerWaalsContact C-N 3.32Å; D136-D138 PolarHBondContact O-N 2.94Å; D136-D138 PolarHBondContact OD1-N 3.26Å; D138-A142 VanDerWaalsContact O-CB 3.31Å; D138-A142 WeakPolarHBondContact O-CB 3.43Å; D138-A142 PolarHBondContact O-N 2.9Å; D138-W416 HydrophobicContact CB-CZ2 3.93Å
139	F	98.1	Very high	96.3	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.018	30%	0.299	C	S	.	.	H	α-helix	trans	-63.2	-47.3	173.5	-175.7	-106.4	0	0	0	112	L131 D136 K141 A142 F143 F340 W416 L417 I422	L131-F139 HydrophobicContact CD1-CE1 4.24Å; L131-F139 HydrophobicContact CD1-CZ 3.97Å; D136-F139 HydrophobicContact CB-CB 4.03Å; D136-F139 PolarHBondContact O-N 3.41Å; D136-F139 WeakPolarHBondContact OD1-CB 3.45Å; D136-F139 PolarHBondContact OD1-N 3.36Å; F139-K141 VanDerWaalsContact C-N 3.28Å; F139-K141 PolarHBondContact O-N 3.36Å; F139-A142 PolarHBondContact O-N 3.49Å; F139-A142 VanDerWaalsContact O-N 3.14Å; F139-F143 HydrophobicContact CD1-CB 4.26Å; F139-F143 HydrophobicContact CD2-CB 4.4Å; F139-F143 HydrophobicContact CE1-CB 3.95Å; F139-F143 HydrophobicContact CE1-CD1 4.31Å; F139-F143 HydrophobicContact CE1-CD2 4.11Å; F139-F143 AromaticContact CE1-CG 3.88Å; F139-F143 HydrophobicContact CE1-CG 3.88Å; F139-F143 HydrophobicContact CE2-CB 4.1Å; F139-F143 AromaticContact CE2-CD2 3.8Å; F139-F143 HydrophobicContact CE2-CD2 3.8Å; F139-F143 HydrophobicContact CE2-CG 4.2Å; F139-F143 HydrophobicContact CG-CB 4.49Å; F139-F143 HydrophobicContact CZ-CB 3.87Å; F139-F143 HydrophobicContact CZ-CD1 4.34Å; F139-F143 AromaticContact CZ-CD2 3.37Å; F139-F143 HydrophobicContact CZ-CD2 3.37Å; F139-F143 AromaticContact CZ-CE2 3.91Å; F139-F143 HydrophobicContact CZ-CE2 3.91Å; F139-F143 AromaticContact CZ-CG 3.61Å; F139-F143 HydrophobicContact CZ-CG 3.61Å; F139-F143 WeakPolarHBondContact O-CB 3.4Å; F139-F143 PolarHBondContact O-N 3.01Å; F139-F340 HydrophobicContact CD2-CE1 4.14Å; F139-F340 HydrophobicContact CE2-CE1 4.28Å; F139-F340 HydrophobicContact CE2-CZ 4.47Å; F139-W416 HydrophobicContact CB-CH2 3.83Å; F139-W416 HydrophobicContact CD2-CH2 4.27Å; F139-W416 HydrophobicContact CD2-CZ3 4.34Å; F139-L417 HydrophobicContact CD2-CD2 4.13Å; F139-L417 HydrophobicContact CE2-CD2 4.16Å; F139-I422 HydrophobicContact CB-CD1 3.65Å; F139-I422 HydrophobicContact CD1-CD1 4.1Å; F139-I422 HydrophobicContact CD1-CG1 4.41Å; F139-I422 HydrophobicContact CD2-CD1 3.62Å; F139-I422 HydrophobicContact CD2-CG1 4.48Å; F139-I422 HydrophobicContact CD2-CG2 4.28Å; F139-I422 HydrophobicContact CE1-CG2 4.24Å; F139-I422 HydrophobicContact CE2-CD1 4.27Å; F139-I422 HydrophobicContact CE2-CG2 3.81Å; F139-I422 HydrophobicContact CG-CD1 3.51Å; F139-I422 HydrophobicContact CG-CG1 4.28Å; F139-I422 HydrophobicContact CZ-CG2 3.78Å
140	Q	96.9	Very high	96.6	Very high	116 Å²	116	56.4 Å²	56.4	54%	0.542	28%	0.275	S	S	.	.	H	α-helix	trans	-58.7	-40.3	178.8	-73.1	-177.8	-10.7	0	0	112.2	S134 D136 E137	S134-Q140 WeakPolarHBondContact O-CG 3.46Å; S134-Q140 PolarHBondContact O-NE2 2.75Å; D136-Q140 WeakPolarHBondContact O-CG 3.43Å; D136-Q140 PolarHBondContact O-N 2.81Å; E137-Q140 PolarHBondContact O-N 3.48Å
141	K	96.9	Very high	96.7	Very high	152 Å²	152	56.3 Å²	56.3	66%	0.661	27%	0.274	S	S	*	.	H	α-helix	trans	-69.7	-34.3	177.5	-175.8	177.4	179.3	178.6	0	112.8	E137 F139 R339	E137-K141 WeakPolarHBondContact O-CB 3.34Å; E137-K141 PolarHBondContact O-N 3.02Å; F139-K141 VanDerWaalsContact C-N 3.28Å; F139-K141 PolarHBondContact O-N 3.36Å; K141-R339 PolarHBondContact O-NH1 3.16Å
142	A	97.6	Very high	96.7	Very high	15 Å²	15	57.1 Å²	57.1	12%	0.124	28%	0.277	C	S	.	.	H	α-helix	trans	-83.4	-37.1	-178.7	0	0	0	0	0	112.8	D138 F139 Y335 F340	D138-A142 VanDerWaalsContact O-CB 3.31Å; D138-A142 WeakPolarHBondContact O-CB 3.43Å; D138-A142 PolarHBondContact O-N 2.9Å; F139-A142 PolarHBondContact O-N 3.49Å; F139-A142 VanDerWaalsContact O-N 3.14Å; A142-Y335 WeakPolarHBondContact O-CE2 3.49Å; A142-F340 HydrophobicContact CB-CD1 4.45Å; A142-F340 HydrophobicContact CB-CE1 3.75Å; A142-F340 HydrophobicContact CB-CE2 4.09Å; A142-F340 HydrophobicContact CB-CZ 3.54Å
143	F	97.8	Very high	96.9	Very high	15 Å²	15	57.2 Å²	57.2	7%	0.066	28%	0.28	C	S	.	.			trans	-80.4	123.5	-171	-171.6	-100.3	0	0	0	112	L131 R132 F139 P145 Y335 F340 L367 H368	L131-F143 HydrophobicContact CD1-CE1 4.38Å; L131-F143 HydrophobicContact CD1-CE2 4.12Å; L131-F143 HydrophobicContact CD1-CZ 3.84Å; R132-F143 HydrophobicContact CG-CE1 4.27Å; F139-F143 HydrophobicContact CD1-CB 4.26Å; F139-F143 HydrophobicContact CD2-CB 4.4Å; F139-F143 HydrophobicContact CE1-CB 3.95Å; F139-F143 HydrophobicContact CE1-CD1 4.31Å; F139-F143 HydrophobicContact CE1-CD2 4.11Å; F139-F143 AromaticContact CE1-CG 3.88Å; F139-F143 HydrophobicContact CE1-CG 3.88Å; F139-F143 HydrophobicContact CE2-CB 4.1Å; F139-F143 AromaticContact CE2-CD2 3.8Å; F139-F143 HydrophobicContact CE2-CD2 3.8Å; F139-F143 HydrophobicContact CE2-CG 4.2Å; F139-F143 HydrophobicContact CG-CB 4.49Å; F139-F143 HydrophobicContact CZ-CB 3.87Å; F139-F143 HydrophobicContact CZ-CD1 4.34Å; F139-F143 AromaticContact CZ-CD2 3.37Å; F139-F143 HydrophobicContact CZ-CD2 3.37Å; F139-F143 AromaticContact CZ-CE2 3.91Å; F139-F143 HydrophobicContact CZ-CE2 3.91Å; F139-F143 AromaticContact CZ-CG 3.61Å; F139-F143 HydrophobicContact CZ-CG 3.61Å; F139-F143 WeakPolarHBondContact O-CB 3.4Å; F139-F143 PolarHBondContact O-N 3.01Å; F143-P145 HydrophobicContact CD1-CB 4.26Å; F143-P145 HydrophobicContact CE1-CB 3.9Å; F143-P145 WeakPolarHBondContact O-CD 3.17Å; F143-Y335 WeakPolarHBondContact CA-OH 3.04Å; F143-Y335 WeakPolarHBondContact CD2-OH 3.48Å; F143-F340 HydrophobicContact CB-CZ 4.38Å; F143-L367 HydrophobicContact CE2-CB 4.36Å; F143-H368 AromaticContact CD2-CE1 3.83Å; F143-H368 AromaticContact CD2-NE2 3.89Å; F143-H368 AromaticContact CE2-CD2 3.96Å; F143-H368 AromaticContact CE2-CE1 3.27Å; F143-H368 WeakPolarHBondContact CE2-CE1 3.3Å; F143-H368 AromaticContact CE2-ND1 3.77Å; F143-H368 AromaticContact CE2-NE2 3.42Å; F143-H368 WeakPolarHBondContact CE2-NE2 3.49Å; F143-H368 AromaticContact CZ-CD2 3.94Å; F143-H368 AromaticContact CZ-NE2 3.83Å
144	L	97.3	Very high	96.9	Very high	32 Å²	32	58.2 Å²	58.2	17%	0.168	29%	0.285	C	S	.	.			trans	-105.6	96.3	177.7	-65.1	-178.5	0	0	0	109.5	Y116 L118 N146 I147 Y335	Y116-L144 HydrophobicContact CD2-CD1 3.75Å; Y116-L144 HydrophobicContact CE2-CD1 4.12Å; L118-L144 HydrophobicContact CD2-CD1 4.41Å; L144-N146 PolarHBondContact O-N 3.32Å; L144-N146 VanDerWaalsContact O-N 3.08Å; L144-I147 HydrophobicContact CB-CB 3.99Å; L144-I147 HydrophobicContact CD1-CD1 4.44Å; L144-I147 VanDerWaalsContact O-CG2 3.24Å; L144-I147 WeakPolarHBondContact O-CG2 3.11Å; L144-I147 PolarHBondContact O-N 2.93Å; L144-I147 VanDerWaalsContact O-N 3.07Å; L144-Y335 HydrophobicContact CB-CD2 4.33Å; L144-Y335 HydrophobicContact CB-CE2 3.85Å; L144-Y335 HydrophobicContact CD1-CD2 3.83Å; L144-Y335 HydrophobicContact CD1-CE2 4.09Å; L144-Y335 HydrophobicContact CG-CD2 4.1Å; L144-Y335 HydrophobicContact CG-CE2 3.82Å; L144-Y335 PolarHBondContact N-OH 3.14Å
145	P	95.3	Very high	96.9	Very high	61 Å²	61	58 Å²	58	40%	0.396	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.8	-171.2	26.4	-36	0	0	0	113.7	P122 F143	P122-P145 HydrophobicContact CG-CB 3.93Å; F143-P145 HydrophobicContact CD1-CB 4.26Å; F143-P145 HydrophobicContact CE1-CB 3.9Å; F143-P145 WeakPolarHBondContact O-CD 3.17Å
146	N	95.9	Very high	96.9	Very high	35 Å²	35	49.5 Å²	49.5	19%	0.187	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	19.1	178.5	68.2	-33.7	0	0	0	113.6	L118 D119 L144 R148	L118-N146 CarbonylContact C-O 3.53Å; L118-N146 WeakPolarHBondContact CA-O 3.33Å; D119-N146 PolarHBondContact N-O 2.87Å; D119-N146 PolarHBondContact O-ND2 3.27Å; D119-N146 VanDerWaalsContact O-ND2 3.12Å; L144-N146 PolarHBondContact O-N 3.32Å; L144-N146 VanDerWaalsContact O-N 3.08Å; N146-R148 PolarHBondContact O-N 3.36Å
147	I	97.9	Very high	96.7	Very high	6 Å²	6	52.5 Å²	52.5	3%	0.031	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-57.5	132	172.4	-173.6	65.4	0	0	0	110.4	Y116 L118 L144 M149 F332 Y335 H368	Y116-I147 VanDerWaalsContact CB-CD1 3.48Å; Y116-I147 HydrophobicContact CD1-CD1 4.47Å; Y116-I147 HydrophobicContact CD2-CD1 4.45Å; Y116-I147 HydrophobicContact CG-CD1 3.91Å; L118-I147 HydrophobicContact CD2-CD1 4.1Å; L144-I147 HydrophobicContact CB-CB 3.99Å; L144-I147 HydrophobicContact CD1-CD1 4.44Å; L144-I147 VanDerWaalsContact O-CG2 3.24Å; L144-I147 WeakPolarHBondContact O-CG2 3.11Å; L144-I147 PolarHBondContact O-N 2.93Å; L144-I147 VanDerWaalsContact O-N 3.07Å; I147-M149 PolarHBondContact O-N 3.04Å; I147-F332 HydrophobicContact CG1-CD2 4.03Å; I147-F332 HydrophobicContact CG2-CD2 3.78Å; I147-F332 HydrophobicContact CG2-CE2 4.02Å; I147-Y335 HydrophobicContact CD1-CG 4.33Å; I147-Y335 HydrophobicContact CG1-CD1 4.04Å; I147-Y335 HydrophobicContact CG1-CG 4.04Å; I147-Y335 HydrophobicContact CG2-CD1 4.24Å; I147-Y335 HydrophobicContact CG2-CE1 4.06Å; I147-H368 WeakPolarHBondContact CG2-CD2 3.5Å; I147-H368 WeakPolarHBondContact CG2-NE2 3.46Å
148	R	97.4	Very high	96.7	Very high	44 Å²	44	46.8 Å²	46.8	17%	0.166	23%	0.233	C	C	.	.			trans	-67.9	108.5	176.4	177.2	172.9	-72.1	151.2	12.7	110.2	N117 L118 D119 N146 N155 H329	N117-R148 HydrophobicContact CB-CB 4.01Å; N117-R148 WeakPolarHBondContact O-CB 3.33Å; N117-R148 PolarHBondContact O-N 2.95Å; L118-R148 PolarHBondContact O-NH2 2.9Å; D119-R148 IonicContact OD1-CZ 3.44Å; D119-R148 VanDerWaalsContact OD1-CZ 3.3Å; D119-R148 IonicContact OD1-NE 3.55Å; D119-R148 PolarHBondContact OD1-NE 3.25Å; D119-R148 IonicContact OD1-NH2 3.96Å; D119-R148 PolarHBondContact OD1-NH2 2.95Å; D119-R148 WeakPolarHBondContact OD2-CA 3.43Å; N146-R148 PolarHBondContact O-N 3.36Å; R148-N155 WeakPolarHBondContact CD-ND2 3.46Å; R148-H329 HydrophobicContact CG-CB 4.5Å; R148-H329 WeakPolarHBondContact O-CB 3.35Å
149	M	97.8	Very high	96.6	Very high	21 Å²	21	47.3 Å²	47.3	10%	0.103	23%	0.227	C	C	.	.			trans	-78.1	-34.3	-176.9	-66	178.1	68.5	0	0	113.8	I147 L328 H329 F332 T365 H368	I147-M149 PolarHBondContact O-N 3.04Å; M149-L328 CarbonylContact O-C 3.6Å; M149-L328 WeakPolarHBondContact O-CA 3.46Å; M149-H329 PolarHBondContact O-N 2.84Å; M149-F332 HydrophobicContact CB-CD2 4.5Å; M149-F332 HydrophobicContact CE-CZ 4.21Å; M149-F332 HydrophobicContact CG-CD2 4.01Å; M149-F332 HydrophobicContact CG-CE2 3.97Å; M149-F332 HydrophobicContact CG-CZ 4.46Å; M149-T365 HydrophobicContact CE-CG2 3.72Å; M149-H368 HydrophobicContact CE-CB 3.84Å; M149-H368 HydrophobicContact CG-CB 4.27Å; M149-H368 HydrophobicContact SD-CB 3.39Å; M149-H368 WeakPolarHBondContact SD-CB 3.25Å
150	F	98.1	Very high	96.5	Very high	38 Å²	38	48.1 Å²	48.1	17%	0.167	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-120.1	137.5	-166.4	-52.9	-59.8	0	0	0	113.6	N155 L195 V285 Y326 V327 L328	F150-N155 PolarHBondContact O-ND2 3.24Å; F150-L195 HydrophobicContact CE2-CB 4.44Å; F150-L195 HydrophobicContact CZ-CB 4.28Å; F150-L195 HydrophobicContact CZ-CD2 3.9Å; F150-L195 HydrophobicContact CZ-CG 4.46Å; F150-V285 HydrophobicContact CE1-CG1 4.46Å; F150-Y326 AromaticContact CD1-CD1 3.9Å; F150-Y326 HydrophobicContact CD1-CD1 3.9Å; F150-Y326 HydrophobicContact CD1-CG 4.26Å; F150-Y326 AromaticContact CD2-CD1 3.84Å; F150-Y326 HydrophobicContact CD2-CD1 3.84Å; F150-Y326 HydrophobicContact CD2-CE1 4.39Å; F150-Y326 AromaticContact CE1-CD1 3.85Å; F150-Y326 HydrophobicContact CE1-CD1 3.85Å; F150-Y326 HydrophobicContact CE1-CG 4.1Å; F150-Y326 AromaticContact CE2-CD1 3.79Å; F150-Y326 HydrophobicContact CE2-CD1 3.79Å; F150-Y326 HydrophobicContact CE2-CE1 4.17Å; F150-Y326 AromaticContact CG-CD1 3.9Å; F150-Y326 HydrophobicContact CG-CD1 3.9Å; F150-Y326 AromaticContact CZ-CD1 3.8Å; F150-Y326 HydrophobicContact CZ-CD1 3.8Å; F150-Y326 HydrophobicContact CZ-CE1 4.42Å; F150-Y326 HydrophobicContact CZ-CG 4.38Å; F150-V327 CarbonylContact C-O 3.52Å; F150-V327 VanDerWaalsContact CA-O 3.24Å; F150-V327 WeakPolarHBondContact CA-O 3.21Å; F150-L328 HydrophobicContact CD1-CD2 3.98Å; F150-L328 HydrophobicContact CE1-CD2 3.81Å
151	L	97.7	Very high	96.5	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	21%	0.206	C	C	.	.			trans	-86	132.4	174.2	-176.9	62.9	0	0	0	110.1	I156 L185 I188 V327 H329	L151-I156 HydrophobicContact CD1-CB 4.33Å; L151-L185 HydrophobicContact CD2-CD2 3.63Å; L151-I188 HydrophobicContact CD2-CD1 4.11Å; L151-I188 HydrophobicContact CG-CD1 4.38Å; L151-I188 VanDerWaalsContact O-CG2 3.32Å; L151-I188 WeakPolarHBondContact O-CG2 3.15Å; L151-V327 HydrophobicContact CB-CB 4.4Å; L151-V327 HydrophobicContact CB-CG1 4.3Å; L151-V327 HydrophobicContact CD2-CG1 4.29Å; L151-V327 PolarHBondContact N-O 3.11Å; L151-H329 HydrophobicContact CB-CB 4.41Å
152	H	96.6	Very high	96.5	Very high	26 Å²	26	36.7 Å²	36.7	12%	0.12	18%	0.181	C	C	.	.			trans	-151.4	164.1	168.4	60.2	91.6	0	0	0	110.7	D154 N155 I188 K190	H152-D154 IonicContact CE1-OD2 3.8Å; H152-D154 IonicContact ND1-OD2 3.37Å; H152-D154 PolarHBondContact ND1-OD2 3.2Å; H152-D154 PolarHBondContact O-N 3.02Å; H152-N155 PolarHBondContact CD2-ND2 2.83Å; H152-N155 PolarHBondContact N-ND2 3.48Å; H152-N155 PolarHBondContact N-OD1 2.79Å; H152-N155 PolarHBondContact NE2-ND2 2.92Å; H152-N155 PolarHBondContact O-N 2.72Å; H152-N155 PolarHBondContact O-OD1 3Å; H152-I188 CarbonylContact C-O 3.56Å; H152-I188 WeakPolarHBondContact CA-O 3.28Å; H152-K190 HydrophobicContact CB-CB 4.19Å
153	K	96.8	Very high	96.5	Very high	79 Å²	79	37.5 Å²	37.5	34%	0.343	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-26.8	-171.9	68.6	-175	-175.7	-178.1	0	115.2	K186 I188	K153-K186 HydrophobicContact CB-CD 4.26Å; K153-K186 PolarHBondContact O-NZ 2.68Å; K153-I188 WeakPolarHBondContact CB-O 3.36Å; K153-I188 PolarHBondContact N-O 3.25Å
154	D	95.1	Very high	96.5	Very high	107 Å²	107	36.8 Å²	36.8	57%	0.572	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-16.3	-177.2	-37.1	-61.3	0	0	0	112.7	H152	H152-D154 IonicContact CE1-OD2 3.8Å; H152-D154 IonicContact ND1-OD2 3.37Å; H152-D154 PolarHBondContact ND1-OD2 3.2Å; H152-D154 PolarHBondContact O-N 3.02Å
155	N	93.6	Very high	96.6	Very high	13 Å²	13	35.6 Å²	35.6	7%	0.07	17%	0.172	C	C	.	.	S	Bend	trans	-107.1	12	-179.4	72.6	22.5	0	0	0	114	R148 F150 H152	R148-N155 WeakPolarHBondContact CD-ND2 3.46Å; F150-N155 PolarHBondContact O-ND2 3.24Å; H152-N155 PolarHBondContact CD2-ND2 2.83Å; H152-N155 PolarHBondContact N-ND2 3.48Å; H152-N155 PolarHBondContact N-OD1 2.79Å; H152-N155 PolarHBondContact NE2-ND2 2.92Å; H152-N155 PolarHBondContact O-N 2.72Å; H152-N155 PolarHBondContact O-OD1 3Å
156	I	95.1	Very high	96.7	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	16%	0.162	C	C	.	.			trans	-125.9	127.1	173.3	-170.2	74.1	0	0	0	110.4	L151 E160 L164 F173 M182 L185 K186	L151-I156 HydrophobicContact CD1-CB 4.33Å; I156-E160 HydrophobicContact CD1-CB 3.85Å; I156-L164 HydrophobicContact CD1-CD1 4.18Å; I156-F173 HydrophobicContact CD1-CE2 4.12Å; I156-F173 HydrophobicContact CD1-CZ 4.45Å; I156-M182 HydrophobicContact CG1-CE 4.08Å; I156-M182 HydrophobicContact CG1-SD 4Å; I156-M182 HydrophobicContact CG2-CE 4.38Å; I156-M182 HydrophobicContact CG2-SD 4.42Å; I156-L185 HydrophobicContact CD1-CD1 4.33Å; I156-L185 HydrophobicContact CG1-CD1 3.92Å; I156-L185 HydrophobicContact CG2-CB 4.14Å; I156-K186 HydrophobicContact CG2-CD 4.44Å; I156-K186 PolarHBondContact O-NZ 3.37Å
157	N	94.8	Very high	96.8	Very high	81 Å²	81	33 Å²	33	43%	0.433	15%	0.153	S	C	.	.			trans	-138.2	-173.9	176.9	62.9	29.5	0	0	0	109.8	R159 E160 W161	N157-R159 WeakPolarHBondContact OD1-CB 3.25Å; N157-R159 PolarHBondContact OD1-N 3.45Å; N157-R159 VanDerWaalsContact OD1-N 3.14Å; N157-E160 PolarHBondContact O-N 2.76Å; N157-E160 WeakPolarHBondContact OD1-CB 3.35Å; N157-E160 WeakPolarHBondContact OD1-CG 3.42Å; N157-E160 PolarHBondContact OD1-N 3.01Å; N157-W161 WeakPolarHBondContact O-CB 3.17Å; N157-W161 PolarHBondContact O-N 3.05Å
158	M	96.2	Very high	96.8	Very high	37 Å²	37	32.8 Å²	32.8	18%	0.182	15%	0.152	C	C	.	.	H	α-helix	trans	-64.7	-41.3	-178.2	-170	61.2	71	0	0	112.7	E93 P95 E160 W161 N162 Y178	E93-M158 HydrophobicContact CB-CB 4.12Å; E93-M158 HydrophobicContact CB-CG 3.72Å; E93-M158 WeakPolarHBondContact O-CG 3.45Å; P95-M158 HydrophobicContact CB-SD 4.02Å; P95-M158 VanDerWaalsContact N-SD 3.44Å; M158-E160 VanDerWaalsContact C-N 3.29Å; M158-E160 PolarHBondContact O-N 3.1Å; M158-W161 WeakPolarHBondContact O-CB 3.43Å; M158-W161 PolarHBondContact O-N 3.14Å; M158-N162 WeakPolarHBondContact O-CB 3.43Å; M158-N162 VanDerWaalsContact O-CG 3.3Å; M158-N162 PolarHBondContact O-N 3.1Å; M158-Y178 HydrophobicContact CE-CD2 4.41Å; M158-Y178 HydrophobicContact CE-CE1 4.41Å; M158-Y178 HydrophobicContact CE-CE2 3.54Å; M158-Y178 WeakPolarHBondContact CE-OH 3.44Å; M158-Y178 HydrophobicContact SD-CD2 4.4Å; M158-Y178 HydrophobicContact SD-CE2 3.88Å
159	R	95.6	Very high	96.7	Very high	107 Å²	107	32 Å²	32	40%	0.404	15%	0.151	S	C	.	.	H	α-helix	trans	-56.6	-46.9	175.5	-174.6	179.4	-75.9	-174.2	-1.4	111.1	D85 N88 E93 N157 N162 R163	D85-R159 IonicContact OD1-NH1 2.96Å; N88-R159 PolarHBondContact ND2-NH2 3.38Å; E93-R159 IonicContact OE1-NE 2.59Å; E93-R159 PolarHBondContact OE1-NE 2.95Å; E93-R159 IonicContact OE1-NH2 3.79Å; E93-R159 WeakPolarHBondContact OE2-CA 3.39Å; E93-R159 VanDerWaalsContact OE2-CB 3.27Å; E93-R159 WeakPolarHBondContact OE2-CB 3.24Å; E93-R159 PolarHBondContact OE2-N 3.16Å; N157-R159 WeakPolarHBondContact OD1-CB 3.25Å; N157-R159 PolarHBondContact OD1-N 3.45Å; N157-R159 VanDerWaalsContact OD1-N 3.14Å; R159-N162 PolarHBondContact O-N 3.17Å; R159-R163 WeakPolarHBondContact O-CB 3.35Å; R159-R163 PolarHBondContact O-N 2.97Å
160	E	96	Very high	96.7	Very high	22 Å²	22	31.1 Å²	31.1	10%	0.103	15%	0.147	C	C	.	.	H	α-helix	trans	-69.7	-37.6	179.8	-72.2	-62.3	102.3	0	0	112.8	N117 I156 N157 M158 R163 L164	N117-E160 PolarHBondContact ND2-OE2 3.39Å; N117-E160 PolarHBondContact OD1-OE2 3.42Å; I156-E160 HydrophobicContact CD1-CB 3.85Å; N157-E160 PolarHBondContact O-N 2.76Å; N157-E160 WeakPolarHBondContact OD1-CB 3.35Å; N157-E160 WeakPolarHBondContact OD1-CG 3.42Å; N157-E160 PolarHBondContact OD1-N 3.01Å; M158-E160 VanDerWaalsContact C-N 3.29Å; M158-E160 PolarHBondContact O-N 3.1Å; E160-R163 PolarHBondContact O-N 3.47Å; E160-R163 IonicContact OE1-CZ 2.8Å; E160-R163 IonicContact OE1-NE 2.7Å; E160-R163 PolarHBondContact OE1-NE 3.45Å; E160-R163 VanDerWaalsContact OE1-NE 3.08Å; E160-R163 IonicContact OE1-NH2 3.53Å; E160-R163 IonicContact OE2-CZ 3.28Å; E160-R163 IonicContact OE2-NE 3.02Å; E160-R163 IonicContact OE2-NH2 3.57Å; E160-R163 PolarHBondContact OE2-NH2 2.02Å; E160-L164 VanDerWaalsContact O-CB 3.24Å; E160-L164 WeakPolarHBondContact O-CB 3.29Å; E160-L164 VanDerWaalsContact O-CG 3.31Å; E160-L164 WeakPolarHBondContact O-CG 3.33Å; E160-L164 PolarHBondContact O-N 2.81Å
161	W	97.5	Very high	96.7	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.015	14%	0.139	C	C	.	.	H	α-helix	trans	-56.6	-55.1	169.4	171.3	-93.9	0	0	0	110.5	N157 M158 R163 L164 S165 F173 Y178 V181	N157-W161 WeakPolarHBondContact O-CB 3.17Å; N157-W161 PolarHBondContact O-N 3.05Å; M158-W161 WeakPolarHBondContact O-CB 3.43Å; M158-W161 PolarHBondContact O-N 3.14Å; W161-R163 VanDerWaalsContact C-N 3.31Å; W161-R163 PolarHBondContact O-N 2.84Å; W161-L164 PolarHBondContact O-N 3.34Å; W161-L164 VanDerWaalsContact O-N 3.16Å; W161-S165 PolarHBondContact NE1-OG 3.48Å; W161-S165 WeakPolarHBondContact O-CB 3.5Å; W161-S165 PolarHBondContact O-N 3.34Å; W161-S165 PolarHBondContact O-OG 2.77Å; W161-F173 HydrophobicContact CD2-CD2 4.34Å; W161-F173 HydrophobicContact CE3-CB 4.42Å; W161-F173 AromaticContact CE3-CD2 3.64Å; W161-F173 HydrophobicContact CE3-CD2 3.64Å; W161-F173 HydrophobicContact CE3-CE2 4.05Å; W161-F173 HydrophobicContact CE3-CG 4.04Å; W161-F173 HydrophobicContact CH2-CB 3.86Å; W161-F173 HydrophobicContact CH2-CG 4.18Å; W161-F173 HydrophobicContact CZ2-CB 4.42Å; W161-F173 HydrophobicContact CZ3-CB 3.87Å; W161-F173 HydrophobicContact CZ3-CD1 4.13Å; W161-F173 AromaticContact CZ3-CD2 3.77Å; W161-F173 HydrophobicContact CZ3-CD2 3.77Å; W161-F173 HydrophobicContact CZ3-CE2 4.35Å; W161-F173 AromaticContact CZ3-CG 3.66Å; W161-F173 HydrophobicContact CZ3-CG 3.66Å; W161-Y178 AromaticContact CD1-CD2 3.71Å; W161-Y178 AromaticContact CD2-CD2 3.62Å; W161-Y178 HydrophobicContact CD2-CD2 3.62Å; W161-Y178 HydrophobicContact CD2-CE2 4.33Å; W161-Y178 AromaticContact CE2-CD2 3.56Å; W161-Y178 HydrophobicContact CE3-CD2 4.24Å; W161-Y178 AromaticContact CG-CD2 3.77Å; W161-Y178 HydrophobicContact CG-CD2 3.77Å; W161-Y178 HydrophobicContact CG-CE2 4.17Å; W161-Y178 HydrophobicContact CZ2-CD2 4.14Å; W161-Y178 HydrophobicContact CZ2-CG 4.39Å; W161-Y178 AromaticContact NE1-CD2 3.59Å; W161-V181 HydrophobicContact CH2-CB 3.93Å; W161-V181 HydrophobicContact CH2-CG1 4.4Å; W161-V181 HydrophobicContact CH2-CG2 4.45Å; W161-V181 HydrophobicContact CZ3-CB 3.79Å; W161-V181 HydrophobicContact CZ3-CG1 3.84Å
162	N	97.4	Very high	96.7	Very high	24 Å²	24	29.3 Å²	29.3	13%	0.128	14%	0.14	C	C	.	.	H	α-helix	trans	-57.8	-43	-178.3	-74	-17	0	0	0	112	Y94 P95 I96 M158 R159 H166	Y94-N162 PolarHBondContact O-ND2 3.29Å; Y94-N162 PolarHBondContact O-OD1 2.87Å; P95-N162 WeakPolarHBondContact CA-OD1 3.37Å; I96-N162 WeakPolarHBondContact CD1-O 3.09Å; I96-N162 HydrophobicContact CG2-CB 4Å; I96-N162 PolarHBondContact N-OD1 3.01Å; M158-N162 WeakPolarHBondContact O-CB 3.43Å; M158-N162 VanDerWaalsContact O-CG 3.3Å; M158-N162 PolarHBondContact O-N 3.1Å; R159-N162 PolarHBondContact O-N 3.17Å; N162-H166 PolarHBondContact O-CE1 3.22Å; N162-H166 VanDerWaalsContact O-CE1 3.32Å; N162-H166 PolarHBondContact O-ND1 3.11Å
163	R	97.4	Very high	96.8	Very high	32 Å²	32	28.1 Å²	28.1	12%	0.121	13%	0.134	C	C	.	.	H	α-helix	trans	-63.9	-51.7	174.9	-172.2	-178.2	65.1	79	2.5	111.4	F112 I115 R159 E160 W161 S165 H166 F167 D331 R334	F112-R163 HydrophobicContact CD2-CG 4.08Å; F112-R163 HydrophobicContact CE2-CG 4.02Å; I115-R163 PolarHBondContact O-NH1 3.18Å; R159-R163 WeakPolarHBondContact O-CB 3.35Å; R159-R163 PolarHBondContact O-N 2.97Å; E160-R163 PolarHBondContact O-N 3.47Å; E160-R163 IonicContact OE1-CZ 2.8Å; E160-R163 IonicContact OE1-NE 2.7Å; E160-R163 PolarHBondContact OE1-NE 3.45Å; E160-R163 VanDerWaalsContact OE1-NE 3.08Å; E160-R163 IonicContact OE1-NH2 3.53Å; E160-R163 IonicContact OE2-CZ 3.28Å; E160-R163 IonicContact OE2-NE 3.02Å; E160-R163 IonicContact OE2-NH2 3.57Å; E160-R163 PolarHBondContact OE2-NH2 2.02Å; W161-R163 VanDerWaalsContact C-N 3.31Å; W161-R163 PolarHBondContact O-N 2.84Å; R163-S165 VanDerWaalsContact C-N 3.29Å; R163-S165 PolarHBondContact O-N 3.44Å; R163-H166 WeakPolarHBondContact O-CB 3.41Å; R163-H166 PolarHBondContact O-N 2.92Å; R163-H166 PolarHBondContact O-ND1 3.18Å; R163-F167 WeakPolarHBondContact O-CE2 3.15Å; R163-D331 IonicContact CZ-OD1 3.42Å; R163-D331 IonicContact CZ-OD2 2.79Å; R163-D331 IonicContact NH1-OD1 2.91Å; R163-D331 PolarHBondContact NH1-OD1 3.33Å; R163-D331 IonicContact NH1-OD2 2.91Å; R163-D331 IonicContact NH2-OD1 2.71Å; R163-D331 PolarHBondContact NH2-OD1 3.16Å; R163-D331 IonicContact NH2-OD2 3.38Å; R163-D331 PolarHBondContact NH2-OD2 3.36Å; R163-R334 VanDerWaalsContact NH1-NH1 3.16Å
164	L	97.9	Very high	96.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-70.3	-22.3	-175.5	-70.5	175.2	0	0	0	113.3	I156 E160 W161 H166 F167 G172 F173 Q330 D331	I156-L164 HydrophobicContact CD1-CD1 4.18Å; E160-L164 VanDerWaalsContact O-CB 3.24Å; E160-L164 WeakPolarHBondContact O-CB 3.29Å; E160-L164 VanDerWaalsContact O-CG 3.31Å; E160-L164 WeakPolarHBondContact O-CG 3.33Å; E160-L164 PolarHBondContact O-N 2.81Å; W161-L164 PolarHBondContact O-N 3.34Å; W161-L164 VanDerWaalsContact O-N 3.16Å; L164-H166 PolarHBondContact O-N 2.83Å; L164-H166 VanDerWaalsContact O-N 3.15Å; L164-F167 HydrophobicContact CD2-CD2 4.27Å; L164-F167 PolarHBondContact O-N 2.87Å; L164-F167 VanDerWaalsContact O-N 3.11Å; L164-G172 CarbonylContact O-C 3.57Å; L164-G172 WeakPolarHBondContact O-CA 3.34Å; L164-F173 HydrophobicContact CB-CD2 3.53Å; L164-F173 HydrophobicContact CB-CE2 3.53Å; L164-F173 HydrophobicContact CD1-CE2 3.67Å; L164-F173 HydrophobicContact CD1-CZ 4.22Å; L164-F173 HydrophobicContact CG-CE2 4.26Å; L164-F173 PolarHBondContact O-N 3.13Å; L164-Q330 HydrophobicContact CD1-CB 4.09Å; L164-Q330 HydrophobicContact CD1-CG 4.47Å; L164-Q330 HydrophobicContact CD2-CB 3.94Å; L164-D331 WeakPolarHBondContact CD2-OD1 3.42Å
165	S	97.9	Very high	96.9	Very high	6 Å²	6	22.1 Å²	22.1	4%	0.042	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.8	173.1	-70.8	0	0	0	0	113.8	W161 R163 F167 M174	W161-S165 PolarHBondContact NE1-OG 3.48Å; W161-S165 WeakPolarHBondContact O-CB 3.5Å; W161-S165 PolarHBondContact O-N 3.34Å; W161-S165 PolarHBondContact O-OG 2.77Å; R163-S165 VanDerWaalsContact C-N 3.29Å; R163-S165 PolarHBondContact O-N 3.44Å; S165-F167 VanDerWaalsContact C-N 3.31Å; S165-M174 WeakPolarHBondContact O-CA 3.49Å; S165-M174 WeakPolarHBondContact O-CB 3.24Å
166	H	98.1	Very high	97.1	Very high	40 Å²	40	21.8 Å²	21.8	19%	0.185	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-11.8	173.7	-69	78.7	0	0	0	114	I99 W110 F112 N162 R163 L164 M174	I99-H166 HydrophobicContact CD1-CB 4.44Å; W110-H166 HydrophobicContact CD2-CB 4.28Å; W110-H166 AromaticContact CE3-CD2 3.96Å; W110-H166 AromaticContact CH2-CD2 3.9Å; W110-H166 HydrophobicContact CZ2-CB 4.12Å; W110-H166 AromaticContact CZ3-CD2 3.87Å; W110-H166 PolarHBondContact NE1-O 3.4Å; F112-H166 HydrophobicContact CE2-CB 4.18Å; F112-H166 HydrophobicContact CZ-CB 4.09Å; F112-H166 AromaticContact CZ-CD2 3.87Å; F112-H166 AromaticContact CZ-CG 3.75Å; N162-H166 PolarHBondContact O-CE1 3.22Å; N162-H166 VanDerWaalsContact O-CE1 3.32Å; N162-H166 PolarHBondContact O-ND1 3.11Å; R163-H166 WeakPolarHBondContact O-CB 3.41Å; R163-H166 PolarHBondContact O-N 2.92Å; R163-H166 PolarHBondContact O-ND1 3.18Å; L164-H166 PolarHBondContact O-N 2.83Å; L164-H166 VanDerWaalsContact O-N 3.15Å; H166-M174 WeakPolarHBondContact O-CE 3.33Å
167	F	98.3	Very high	97.2	Very high	3 Å²	3	22.2 Å²	22.2	1%	0.013	11%	0.107	C	C	.	.	S	Bend	trans	-111.9	140	-176.6	-50.2	-79.6	0	0	0	111.7	W110 F112 E113 R163 L164 S165 F171 G172 F173 M174 R334	W110-F167 AromaticContact CD1-CD1 3.96Å; W110-F167 AromaticContact CD1-CE1 3.51Å; W110-F167 HydrophobicContact CG-CE1 4.48Å; F112-F167 HydrophobicContact CD2-CE2 4.3Å; F112-F167 AromaticContact CD2-CZ 3.76Å; F112-F167 HydrophobicContact CD2-CZ 3.76Å; F112-F167 AromaticContact CE2-CE2 3.92Å; F112-F167 HydrophobicContact CE2-CE2 3.92Å; F112-F167 AromaticContact CE2-CZ 3.59Å; F112-F167 HydrophobicContact CE2-CZ 3.59Å; E113-F167 WeakPolarHBondContact OE2-CE1 3.21Å; R163-F167 WeakPolarHBondContact O-CE2 3.15Å; L164-F167 HydrophobicContact CD2-CD2 4.27Å; L164-F167 PolarHBondContact O-N 2.87Å; L164-F167 VanDerWaalsContact O-N 3.11Å; S165-F167 VanDerWaalsContact C-N 3.31Å; F167-F171 HydrophobicContact CB-CB 4.13Å; F167-F171 WeakPolarHBondContact CB-O 3.45Å; F167-G172 CarbonylContact O-C 3.57Å; F167-G172 VanDerWaalsContact O-C 3.25Å; F167-G172 VanDerWaalsContact O-CA 3.31Å; F167-G172 WeakPolarHBondContact O-CA 3.31Å; F167-F173 PolarHBondContact O-N 2.88Å; F167-M174 WeakPolarHBondContact O-CB 3.49Å; F167-M174 PolarHBondContact O-N 3.1Å; F167-R334 VanDerWaalsContact CE1-NH2 3.29Å
168	N	97.5	Very high	97.3	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-68.4	149.1	176.5	68.7	-61.1	0	0	0	111.9	K101 F171 G172 M174 R337 W351 A352	K101-N168 HydrophobicContact CD-CB 4.31Å; K101-N168 HydrophobicContact CG-CB 4.34Å; N168-F171 VanDerWaalsContact O-CA 3.29Å; N168-F171 WeakPolarHBondContact O-CA 3.02Å; N168-F171 WeakPolarHBondContact O-CB 3Å; N168-F171 WeakPolarHBondContact O-CD2 3.31Å; N168-F171 PolarHBondContact O-N 3.05Å; N168-G172 PolarHBondContact O-N 3.48Å; N168-M174 HydrophobicContact CB-SD 4.48Å; N168-R337 PolarHBondContact OD1-NH1 3.2Å; N168-W351 HydrophobicContact CB-CH2 4.01Å; N168-W351 HydrophobicContact CB-CZ3 3.66Å; N168-W351 VanDerWaalsContact CG-CZ3 3.5Å; N168-A352 PolarHBondContact ND2-O 3.16Å
169	N	95.6	Very high	97.3	Very high	26 Å²	26	26.5 Å²	26.5	14%	0.139	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	140	174.2	-33.7	-24.4	0	0	0	110.5	K101 F171 G172 M174 M176 E289	K101-N169 PolarHBondContact NZ-ND2 2.54Å; N169-F171 VanDerWaalsContact C-N 3.3Å; N169-G172 PolarHBondContact OD1-O 3.07Å; N169-M174 PolarHBondContact OD1-O 3.38Å; N169-M176 HydrophobicContact CB-CE 4.07Å; N169-M176 WeakPolarHBondContact ND2-CE 3.33Å; N169-M176 WeakPolarHBondContact OD1-CE 3.39Å; N169-E289 WeakPolarHBondContact CB-O 3.29Å
170	P	97.6	Very high	97.3	Very high	4 Å²	4	25.9 Å²	25.9	3%	0.026	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	cis	-83	-0.2	2.5	1.6	16.1	0	0	0	114.3	G172 E289 L333	P170-G172 PolarHBondContact O-N 3.17Å; P170-E289 HydrophobicContact CG-CG 4.42Å; P170-L333 HydrophobicContact CB-CD1 3.67Å
171	F	98.4	Very high	97.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-78	-6.4	-167.6	-51.8	-66.1	0	0	0	113	F167 N168 N169 L333 R334 R337 R355 F361	F167-F171 HydrophobicContact CB-CB 4.13Å; F167-F171 WeakPolarHBondContact CB-O 3.45Å; N168-F171 VanDerWaalsContact O-CA 3.29Å; N168-F171 WeakPolarHBondContact O-CA 3.02Å; N168-F171 WeakPolarHBondContact O-CB 3Å; N168-F171 WeakPolarHBondContact O-CD2 3.31Å; N168-F171 PolarHBondContact O-N 3.05Å; N169-F171 VanDerWaalsContact C-N 3.3Å; F171-L333 HydrophobicContact CD1-CB 4.03Å; F171-L333 HydrophobicContact CE1-CB 4.31Å; F171-L333 WeakPolarHBondContact CE1-O 3.49Å; F171-R334 HydrophobicContact CB-CG 3.54Å; F171-R334 HydrophobicContact CD1-CG 4.19Å; F171-R334 HydrophobicContact CG-CG 4.29Å; F171-R334 WeakPolarHBondContact O-CD 3.14Å; F171-R334 WeakPolarHBondContact O-CG 3.45Å; F171-R337 HydrophobicContact CD1-CB 4.42Å; F171-R337 HydrophobicContact CE1-CB 3.73Å; F171-R337 HydrophobicContact CE1-CG 4.28Å; F171-R337 VanDerWaalsContact CG-NH1 3.34Å; F171-R337 HydrophobicContact CZ-CB 4.12Å; F171-R337 HydrophobicContact CZ-CG 4.2Å; F171-R355 HydrophobicContact CE2-CB 4.14Å; F171-R355 HydrophobicContact CZ-CB 3.72Å; F171-F361 HydrophobicContact CE1-CZ 4.22Å
172	G	97.9	Very high	97.4	Very high	2 Å²	2	25 Å²	25	2%	0.021	12%	0.123	C	C	.	.	S	Bend	trans	-179.4	-154.7	-178	0	0	0	0	0	111.4	L164 F167 N168 N169 P170	L164-G172 CarbonylContact O-C 3.57Å; L164-G172 WeakPolarHBondContact O-CA 3.34Å; F167-G172 CarbonylContact O-C 3.57Å; F167-G172 VanDerWaalsContact O-C 3.25Å; F167-G172 VanDerWaalsContact O-CA 3.31Å; F167-G172 WeakPolarHBondContact O-CA 3.31Å; N168-G172 PolarHBondContact O-N 3.48Å; N169-G172 PolarHBondContact OD1-O 3.07Å; P170-G172 PolarHBondContact O-N 3.17Å
173	F	98	Very high	97.4	Very high	1 Å²	1	26.7 Å²	26.7	0%	0.004	14%	0.135	C	C	.	.			trans	-120.3	19.4	-172.2	-49.4	-62.5	0	0	0	114.1	I156 W161 L164 F167 M176 V181 L185 F294 Q330	I156-F173 HydrophobicContact CD1-CE2 4.12Å; I156-F173 HydrophobicContact CD1-CZ 4.45Å; W161-F173 HydrophobicContact CD2-CD2 4.34Å; W161-F173 HydrophobicContact CE3-CB 4.42Å; W161-F173 AromaticContact CE3-CD2 3.64Å; W161-F173 HydrophobicContact CE3-CD2 3.64Å; W161-F173 HydrophobicContact CE3-CE2 4.05Å; W161-F173 HydrophobicContact CE3-CG 4.04Å; W161-F173 HydrophobicContact CH2-CB 3.86Å; W161-F173 HydrophobicContact CH2-CG 4.18Å; W161-F173 HydrophobicContact CZ2-CB 4.42Å; W161-F173 HydrophobicContact CZ3-CB 3.87Å; W161-F173 HydrophobicContact CZ3-CD1 4.13Å; W161-F173 AromaticContact CZ3-CD2 3.77Å; W161-F173 HydrophobicContact CZ3-CD2 3.77Å; W161-F173 HydrophobicContact CZ3-CE2 4.35Å; W161-F173 AromaticContact CZ3-CG 3.66Å; W161-F173 HydrophobicContact CZ3-CG 3.66Å; L164-F173 HydrophobicContact CB-CD2 3.53Å; L164-F173 HydrophobicContact CB-CE2 3.53Å; L164-F173 HydrophobicContact CD1-CE2 3.67Å; L164-F173 HydrophobicContact CD1-CZ 4.22Å; L164-F173 HydrophobicContact CG-CE2 4.26Å; L164-F173 PolarHBondContact O-N 3.13Å; F167-F173 PolarHBondContact O-N 2.88Å; F173-M176 HydrophobicContact CB-CB 4.45Å; F173-M176 HydrophobicContact CD1-SD 4.47Å; F173-M176 VanDerWaalsContact O-CB 3.32Å; F173-M176 WeakPolarHBondContact O-CB 3.42Å; F173-M176 PolarHBondContact O-N 3.1Å; F173-V181 HydrophobicContact CD1-CG1 4.05Å; F173-V181 HydrophobicContact CE1-CG1 4.14Å; F173-L185 HydrophobicContact CE1-CD1 3.93Å; F173-L185 HydrophobicContact CE2-CD1 4.2Å; F173-L185 HydrophobicContact CZ-CD1 3.57Å; F173-F294 HydrophobicContact CD1-CE2 4.49Å; F173-F294 HydrophobicContact CD1-CZ 4.26Å; F173-F294 HydrophobicContact CE1-CE2 4.49Å; F173-F294 AromaticContact CE1-CZ 3.83Å; F173-F294 HydrophobicContact CE1-CZ 3.83Å; F173-Q330 HydrophobicContact CE1-CG 4.2Å; F173-Q330 HydrophobicContact CZ-CG 4.08Å
174	M	97.9	Very high	97.4	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-60.1	140.2	175.8	-171.5	-171.2	-65.2	0	0	111.5	I99 K101 F104 P108 S165 H166 F167 N168 N169 M176 W351	I99-M174 HydrophobicContact CB-CG 4.14Å; I99-M174 HydrophobicContact CG2-CE 3.95Å; I99-M174 HydrophobicContact CG2-CG 4Å; I99-M174 HydrophobicContact CG2-SD 4.18Å; I99-M174 WeakPolarHBondContact O-CG 3.38Å; K101-M174 HydrophobicContact CB-SD 4.2Å; K101-M174 WeakPolarHBondContact CE-O 3.35Å; K101-M174 HydrophobicContact CG-CG 4Å; K101-M174 HydrophobicContact CG-SD 3.42Å; K101-M174 WeakPolarHBondContact CG-SD 3.45Å; F104-M174 HydrophobicContact CD2-SD 4.42Å; F104-M174 HydrophobicContact CE2-CE 4.18Å; F104-M174 HydrophobicContact CE2-SD 4.24Å; P108-M174 HydrophobicContact CG-CE 4.38Å; S165-M174 WeakPolarHBondContact O-CA 3.49Å; S165-M174 WeakPolarHBondContact O-CB 3.24Å; H166-M174 WeakPolarHBondContact O-CE 3.33Å; F167-M174 WeakPolarHBondContact O-CB 3.49Å; F167-M174 PolarHBondContact O-N 3.1Å; N168-M174 HydrophobicContact CB-SD 4.48Å; N169-M174 PolarHBondContact OD1-O 3.38Å; M174-M176 VanDerWaalsContact C-N 3.25Å; M174-W351 HydrophobicContact SD-CH2 4.03Å
175	D	97.1	Very high	97.4	Very high	58 Å²	58	25.3 Å²	25.3	31%	0.31	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	27.8	-167.4	-72.8	-47.8	0	0	0	114.5	I99 H100 K101	I99-D175 PolarHBondContact O-N 3.44Å; H100-D175 WeakPolarHBondContact CA-OD1 3.46Å; H100-D175 WeakPolarHBondContact CB-OD1 3.37Å; H100-D175 IonicContact CE1-OD1 3.5Å; H100-D175 IonicContact CG-OD1 3.85Å; H100-D175 IonicContact ND1-OD1 3.67Å; H100-D175 PolarHBondContact ND1-OD1 2.99Å; K101-D175 WeakPolarHBondContact CB-OD2 3.13Å; K101-D175 HydrophobicContact CD-CB 4.49Å; K101-D175 WeakPolarHBondContact CD-OD2 3.27Å; K101-D175 WeakPolarHBondContact CE-OD2 3.39Å; K101-D175 WeakPolarHBondContact CG-OD2 3.23Å; K101-D175 PolarHBondContact N-OD2 3.45Å
176	M	96.8	Very high	97.4	Very high	6 Å²	6	29.5 Å²	29.5	3%	0.03	15%	0.148	C	C	.	.			trans	-125.9	139.2	171.8	-55.1	-164.1	-178.4	0	0	112.2	N169 F173 M174 V181 M291 F294	N169-M176 HydrophobicContact CB-CE 4.07Å; N169-M176 WeakPolarHBondContact ND2-CE 3.33Å; N169-M176 WeakPolarHBondContact OD1-CE 3.39Å; F173-M176 HydrophobicContact CB-CB 4.45Å; F173-M176 HydrophobicContact CD1-SD 4.47Å; F173-M176 VanDerWaalsContact O-CB 3.32Å; F173-M176 WeakPolarHBondContact O-CB 3.42Å; F173-M176 PolarHBondContact O-N 3.1Å; M174-M176 VanDerWaalsContact C-N 3.25Å; M176-V181 HydrophobicContact CB-CG2 3.8Å; M176-V181 HydrophobicContact CG-CG2 4.36Å; M176-V181 HydrophobicContact SD-CG2 3.65Å; M176-M291 HydrophobicContact CB-CE 4.28Å; M176-M291 HydrophobicContact CG-CE 4.34Å; M176-M291 HydrophobicContact SD-CE 4.36Å; M176-F294 HydrophobicContact CE-CD2 4Å; M176-F294 HydrophobicContact CE-CE2 3.66Å; M176-F294 HydrophobicContact SD-CD2 3.82Å; M176-F294 HydrophobicContact SD-CE2 3.59Å; M176-F294 VanDerWaalsContact SD-CE2 3.59Å
177	A	96.9	Very high	97.3	Very high	11 Å²	11	29.5 Å²	29.5	9%	0.091	15%	0.149	C	C	.	.			trans	-79	141.8	176.7	0	0	0	0	0	111.2	M98 E179 D180 V181	M98-A177 HydrophobicContact CE-CB 3.76Å; A177-E179 HydrophobicContact CB-CG 4.21Å; A177-D180 HydrophobicContact CB-CB 4.27Å; A177-D180 PolarHBondContact O-N 3.02Å; A177-V181 PolarHBondContact O-N 3.12Å
178	Y	97.4	Very high	97.2	Very high	72 Å²	72	29.8 Å²	29.8	28%	0.282	15%	0.15	S	C	.	.	H	α-helix	trans	-62.5	-46.4	-179.4	172.4	-91.9	0	0	0	111.2	P95 M158 W161 D180 V181 M182 P183	P95-Y178 HydrophobicContact CB-CD2 3.93Å; P95-Y178 HydrophobicContact CB-CG 3.89Å; P95-Y178 HydrophobicContact CG-CD1 4.36Å; P95-Y178 HydrophobicContact CG-CG 4.2Å; M158-Y178 HydrophobicContact CE-CD2 4.41Å; M158-Y178 HydrophobicContact CE-CE1 4.41Å; M158-Y178 HydrophobicContact CE-CE2 3.54Å; M158-Y178 WeakPolarHBondContact CE-OH 3.44Å; M158-Y178 HydrophobicContact SD-CD2 4.4Å; M158-Y178 HydrophobicContact SD-CE2 3.88Å; W161-Y178 AromaticContact CD1-CD2 3.71Å; W161-Y178 AromaticContact CD2-CD2 3.62Å; W161-Y178 HydrophobicContact CD2-CD2 3.62Å; W161-Y178 HydrophobicContact CD2-CE2 4.33Å; W161-Y178 AromaticContact CE2-CD2 3.56Å; W161-Y178 HydrophobicContact CE3-CD2 4.24Å; W161-Y178 AromaticContact CG-CD2 3.77Å; W161-Y178 HydrophobicContact CG-CD2 3.77Å; W161-Y178 HydrophobicContact CG-CE2 4.17Å; W161-Y178 HydrophobicContact CZ2-CD2 4.14Å; W161-Y178 HydrophobicContact CZ2-CG 4.39Å; W161-Y178 AromaticContact NE1-CD2 3.59Å; Y178-D180 PolarHBondContact O-N 3.01Å; Y178-V181 PolarHBondContact O-N 3.46Å; Y178-M182 HydrophobicContact CD1-CB 4.44Å; Y178-M182 HydrophobicContact CD2-CB 3.76Å; Y178-M182 HydrophobicContact CD2-CG 4.19Å; Y178-M182 HydrophobicContact CE1-CB 4.22Å; Y178-M182 HydrophobicContact CE1-CG 4.43Å; Y178-M182 HydrophobicContact CE2-CB 3.52Å; Y178-M182 HydrophobicContact CE2-CG 3.45Å; Y178-M182 VanDerWaalsContact CE2-CG 3.45Å; Y178-M182 HydrophobicContact CE2-SD 4.47Å; Y178-M182 HydrophobicContact CG-CB 4.22Å; Y178-M182 VanDerWaalsContact O-CB 3.31Å; Y178-M182 WeakPolarHBondContact O-CB 3.47Å; Y178-M182 PolarHBondContact O-N 3.47Å; Y178-P183 WeakPolarHBondContact O-CD 3.46Å
179	E	96.6	Very high	97.1	Very high	137 Å²	137	31.4 Å²	31.4	64%	0.64	16%	0.162	S	C	*	.	H	α-helix	trans	-60.8	-25.3	179.4	59.9	-87.4	-158.6	0	0	113.5	A177 P183	A177-E179 HydrophobicContact CB-CG 4.21Å; E179-P183 WeakPolarHBondContact O-CD 3.47Å; E179-P183 VanDerWaalsContact O-CG 3.31Å; E179-P183 WeakPolarHBondContact O-CG 3.42Å
180	D	96.1	Very high	97.1	Very high	93 Å²	93	36.4 Å²	36.4	50%	0.497	18%	0.183	S	C	.	.	H	α-helix	trans	-86.2	-38	177.7	-75	-27.1	0	0	0	112.6	A177 Y178 M291	A177-D180 HydrophobicContact CB-CB 4.27Å; A177-D180 PolarHBondContact O-N 3.02Å; Y178-D180 PolarHBondContact O-N 3.01Å; D180-M291 HydrophobicContact CB-CE 3.81Å; D180-M291 HydrophobicContact CB-SD 4.34Å
181	V	97.5	Very high	97	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-100.6	-48.4	-168	180	0	0	0	0	112.3	W161 F173 M176 A177 Y178 V184 L185 M291 F294	W161-V181 HydrophobicContact CH2-CB 3.93Å; W161-V181 HydrophobicContact CH2-CG1 4.4Å; W161-V181 HydrophobicContact CH2-CG2 4.45Å; W161-V181 HydrophobicContact CZ3-CB 3.79Å; W161-V181 HydrophobicContact CZ3-CG1 3.84Å; F173-V181 HydrophobicContact CD1-CG1 4.05Å; F173-V181 HydrophobicContact CE1-CG1 4.14Å; M176-V181 HydrophobicContact CB-CG2 3.8Å; M176-V181 HydrophobicContact CG-CG2 4.36Å; M176-V181 HydrophobicContact SD-CG2 3.65Å; A177-V181 PolarHBondContact O-N 3.12Å; Y178-V181 PolarHBondContact O-N 3.46Å; V181-V184 WeakPolarHBondContact O-CA 3.41Å; V181-V184 WeakPolarHBondContact O-CB 3.33Å; V181-V184 PolarHBondContact O-N 3.24Å; V181-L185 HydrophobicContact CG1-CD1 3.98Å; V181-L185 HydrophobicContact CG1-CD2 4.26Å; V181-L185 HydrophobicContact CG1-CG 3.91Å; V181-L185 WeakPolarHBondContact O-CG 3.48Å; V181-L185 PolarHBondContact O-N 2.78Å; V181-M291 HydrophobicContact CG2-CE 3.69Å; V181-M291 HydrophobicContact CG2-SD 4.4Å; V181-F294 HydrophobicContact CG1-CD1 4.07Å; V181-F294 HydrophobicContact CG1-CD2 4.11Å; V181-F294 HydrophobicContact CG1-CE1 4.06Å; V181-F294 HydrophobicContact CG1-CE2 4.07Å; V181-F294 HydrophobicContact CG1-CG 4.12Å; V181-F294 HydrophobicContact CG1-CZ 4.05Å; V181-F294 HydrophobicContact CG2-CD2 4.25Å
182	M	97.4	Very high	96.9	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.034	23%	0.225	C	C	.	.	H	α-helix	trans	-59.1	-40	-173.8	-171.4	58.8	157.8	0	0	112.9	I156 Y178 V184 L185 K186	I156-M182 HydrophobicContact CG1-CE 4.08Å; I156-M182 HydrophobicContact CG1-SD 4Å; I156-M182 HydrophobicContact CG2-CE 4.38Å; I156-M182 HydrophobicContact CG2-SD 4.42Å; Y178-M182 HydrophobicContact CD1-CB 4.44Å; Y178-M182 HydrophobicContact CD2-CB 3.76Å; Y178-M182 HydrophobicContact CD2-CG 4.19Å; Y178-M182 HydrophobicContact CE1-CB 4.22Å; Y178-M182 HydrophobicContact CE1-CG 4.43Å; Y178-M182 HydrophobicContact CE2-CB 3.52Å; Y178-M182 HydrophobicContact CE2-CG 3.45Å; Y178-M182 VanDerWaalsContact CE2-CG 3.45Å; Y178-M182 HydrophobicContact CE2-SD 4.47Å; Y178-M182 HydrophobicContact CG-CB 4.22Å; Y178-M182 VanDerWaalsContact O-CB 3.31Å; Y178-M182 WeakPolarHBondContact O-CB 3.47Å; Y178-M182 PolarHBondContact O-N 3.47Å; M182-V184 PolarHBondContact O-N 2.78Å; M182-L185 PolarHBondContact O-N 2.92Å; M182-L185 VanDerWaalsContact O-N 3.16Å; M182-L185 HydrophobicContact SD-CB 4.17Å; M182-L185 HydrophobicContact SD-CD1 4.11Å; M182-K186 HydrophobicContact CE-CD 4.36Å; M182-K186 WeakPolarHBondContact O-CG 3.38Å; M182-K186 PolarHBondContact O-N 3.25Å; M182-K186 HydrophobicContact SD-CG 4.49Å
183	P	97.5	Very high	96.7	Very high	60 Å²	60	48.2 Å²	48.2	39%	0.39	24%	0.236	S	C	.	.	H	α-helix	trans	-59.6	-30.9	173.4	-27.1	37.8	0	0	0	113.6	Y178 E179 L187	Y178-P183 WeakPolarHBondContact O-CD 3.46Å; E179-P183 WeakPolarHBondContact O-CD 3.47Å; E179-P183 VanDerWaalsContact O-CG 3.31Å; E179-P183 WeakPolarHBondContact O-CG 3.42Å; P183-L187 WeakPolarHBondContact O-CG 3.4Å
184	V	97.6	Very high	96.5	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.024	26%	0.255	C	S	.	.	H	α-helix	trans	-74.5	-43.9	175.1	-175.8	0	0	0	0	110.6	V181 M182 K186 L187 F294 L297 K298	V181-V184 WeakPolarHBondContact O-CA 3.41Å; V181-V184 WeakPolarHBondContact O-CB 3.33Å; V181-V184 PolarHBondContact O-N 3.24Å; M182-V184 PolarHBondContact O-N 2.78Å; V184-K186 PolarHBondContact O-N 3.11Å; V184-L187 WeakPolarHBondContact O-CB 3.34Å; V184-L187 PolarHBondContact O-N 2.77Å; V184-F294 HydrophobicContact CG1-CB 4.46Å; V184-F294 HydrophobicContact CG1-CD1 4.46Å; V184-F294 WeakPolarHBondContact CG1-O 3.35Å; V184-L297 HydrophobicContact CG1-CB 3.86Å; V184-K298 HydrophobicContact CG1-CB 4.2Å; V184-K298 HydrophobicContact CG2-CB 3.9Å; V184-K298 HydrophobicContact CG2-CD 4.14Å; V184-K298 HydrophobicContact CG2-CG 4.27Å
185	L	97.6	Very high	96.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.3	-37.4	176.9	-60.7	-174.2	0	0	0	111.7	L151 I156 F173 V181 M182 L187 I188 F294	L151-L185 HydrophobicContact CD2-CD2 3.63Å; I156-L185 HydrophobicContact CD1-CD1 4.33Å; I156-L185 HydrophobicContact CG1-CD1 3.92Å; I156-L185 HydrophobicContact CG2-CB 4.14Å; F173-L185 HydrophobicContact CE1-CD1 3.93Å; F173-L185 HydrophobicContact CE2-CD1 4.2Å; F173-L185 HydrophobicContact CZ-CD1 3.57Å; V181-L185 HydrophobicContact CG1-CD1 3.98Å; V181-L185 HydrophobicContact CG1-CD2 4.26Å; V181-L185 HydrophobicContact CG1-CG 3.91Å; V181-L185 WeakPolarHBondContact O-CG 3.48Å; V181-L185 PolarHBondContact O-N 2.78Å; M182-L185 PolarHBondContact O-N 2.92Å; M182-L185 VanDerWaalsContact O-N 3.16Å; M182-L185 HydrophobicContact SD-CB 4.17Å; M182-L185 HydrophobicContact SD-CD1 4.11Å; L185-L187 PolarHBondContact O-N 3.48Å; L185-I188 HydrophobicContact CD2-CD1 4.02Å; L185-I188 PolarHBondContact O-N 3.22Å; L185-F294 HydrophobicContact CD2-CD1 4.06Å; L185-F294 HydrophobicContact CD2-CE1 3.47Å; L185-F294 VanDerWaalsContact CD2-CE1 3.47Å; L185-F294 HydrophobicContact CD2-CZ 4.34Å
186	K	97.4	Very high	96.2	Very high	94 Å²	94	49.9 Å²	49.9	41%	0.409	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-11.5	175.9	-68.6	-50.9	-162.9	-175.9	0	114.9	K153 I156 M182 V184	K153-K186 HydrophobicContact CB-CD 4.26Å; K153-K186 PolarHBondContact O-NZ 2.68Å; I156-K186 HydrophobicContact CG2-CD 4.44Å; I156-K186 PolarHBondContact O-NZ 3.37Å; M182-K186 HydrophobicContact CE-CD 4.36Å; M182-K186 WeakPolarHBondContact O-CG 3.38Å; M182-K186 PolarHBondContact O-N 3.25Å; M182-K186 HydrophobicContact SD-CG 4.49Å; V184-K186 PolarHBondContact O-N 3.11Å
187	L	96.6	Very high	96	Very high	39 Å²	39	56.5 Å²	56.5	20%	0.204	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-17.5	172.2	-60.3	168	0	0	0	112.9	P183 V184 L185 S189 K298 I301 R302	P183-L187 WeakPolarHBondContact O-CG 3.4Å; V184-L187 WeakPolarHBondContact O-CB 3.34Å; V184-L187 PolarHBondContact O-N 2.77Å; L185-L187 PolarHBondContact O-N 3.48Å; L187-S189 PolarHBondContact O-N 3.09Å; L187-K298 HydrophobicContact CD1-CG 4.47Å; L187-I301 HydrophobicContact CB-CD1 4.02Å; L187-I301 HydrophobicContact CB-CG2 4.12Å; L187-R302 HydrophobicContact CD1-CG 3.92Å; L187-R302 VanDerWaalsContact CD1-NE 3.27Å
188	I	97.1	Very high	95.5	Very high	9 Å²	9	60.8 Å²	60.8	5%	0.046	30%	0.299	C	S	.	.			trans	-76	100.3	-175.8	-54.6	170.8	0	0	0	108.5	L151 H152 K153 L185 L297 I301 V327	L151-I188 HydrophobicContact CD2-CD1 4.11Å; L151-I188 HydrophobicContact CG-CD1 4.38Å; L151-I188 VanDerWaalsContact O-CG2 3.32Å; L151-I188 WeakPolarHBondContact O-CG2 3.15Å; H152-I188 CarbonylContact C-O 3.56Å; H152-I188 WeakPolarHBondContact CA-O 3.28Å; K153-I188 WeakPolarHBondContact CB-O 3.36Å; K153-I188 PolarHBondContact N-O 3.25Å; L185-I188 HydrophobicContact CD2-CD1 4.02Å; L185-I188 PolarHBondContact O-N 3.22Å; I188-L297 HydrophobicContact CD1-CD1 4.17Å; I188-I301 HydrophobicContact CG1-CD1 4.23Å; I188-V327 HydrophobicContact CD1-CG1 4.43Å; I188-V327 HydrophobicContact CD1-CG2 4.27Å; I188-V327 HydrophobicContact CG2-CB 4.41Å; I188-V327 HydrophobicContact CG2-CG2 4Å
189	S	95.1	Very high	94.8	Very high	36 Å²	36	62.8 Å²	62.8	25%	0.252	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-69.5	149.6	175.2	-63.7	0	0	0	0	111.6	L187 P191 E322	L187-S189 PolarHBondContact O-N 3.09Å; S189-P191 WeakPolarHBondContact O-CD 3.01Å; S189-E322 WeakPolarHBondContact CB-OE1 3.37Å; S189-E322 PolarHBondContact OG-OE1 3.42Å
190	K	95.8	Very high	94.3	Very high	131 Å²	131	62.3 Å²	62.3	57%	0.57	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-62.9	127.7	168.8	-175	177.8	177.8	176.4	0	109.1	H152 K192	H152-K190 HydrophobicContact CB-CB 4.19Å; K190-K192 PolarHBondContact O-N 3.12Å
191	P	94.8	Very high	93.6	Very high	21 Å²	21	62.1 Å²	62.1	14%	0.136	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-56.7	136.5	174.2	-25.3	35.4	0	0	0	110.9	S189 F325 Y326	S189-P191 WeakPolarHBondContact O-CD 3.01Å; P191-F325 WeakPolarHBondContact CG-O 3.48Å; P191-Y326 HydrophobicContact CB-CD1 3.97Å; P191-Y326 HydrophobicContact CB-CE1 3.48Å; P191-Y326 VanDerWaalsContact CB-CE1 3.48Å; P191-Y326 HydrophobicContact CG-CD1 3.51Å; P191-Y326 HydrophobicContact CG-CE1 3.58Å; P191-Y326 HydrophobicContact CG-CG 4.1Å
192	K	95.6	Very high	93	Very high	177 Å²	177	64.1 Å²	64.1	77%	0.77	36%	0.359	S	S	*	.	S	Bend	trans	-84.9	-32.7	-179.9	-63.6	-176.6	-179.3	175.6	0	111.7	K190 S323	K190-K192 PolarHBondContact O-N 3.12Å; K192-S323 PolarHBondContact N-O 2.8Å
193	E	94.1	Very high	92.5	Very high	56 Å²	56	68.8 Å²	68.8	26%	0.262	38%	0.384	S	S	.	.	S	Bend	trans	-84.7	147.5	173.4	-63.3	-179.2	-127.5	0	0	109.5	K283 S323 R324 Y326	E193-K283 IonicContact OE1-NZ 2.98Å; E193-K283 IonicContact OE2-NZ 2.78Å; E193-K283 PolarHBondContact OE2-NZ 3.07Å; E193-S323 PolarHBondContact N-O 2.76Å; E193-S323 VanDerWaalsContact N-O 3.08Å; E193-R324 HydrophobicContact CB-CB 4.48Å; E193-Y326 PolarHBondContact O-OH 3.39Å
194	P	93.1	Very high	92	Very high	61 Å²	61	68 Å²	68	40%	0.396	39%	0.386	S	S	.	.			trans	-69.9	156.1	165.7	32.4	-35.2	0	0	0	109.6	L196 R197 Y326	P194-L196 VanDerWaalsContact C-N 3.34Å; P194-L196 PolarHBondContact O-N 3.26Å; P194-R197 HydrophobicContact CG-CG 3.52Å; P194-Y326 PolarHBondContact O-OH 2.82Å; P194-Y326 VanDerWaalsContact O-OH 3.05Å
195	L	95.3	Very high	91.9	Very high	16 Å²	16	68.2 Å²	68.2	8%	0.084	39%	0.388	C	S	.	.	S	Bend	trans	-57.4	-51.6	178.6	-179.9	66.4	0	0	0	110.1	F150 F233 V253 K283 V285 Y326 T365 A369	F150-L195 HydrophobicContact CE2-CB 4.44Å; F150-L195 HydrophobicContact CZ-CB 4.28Å; F150-L195 HydrophobicContact CZ-CD2 3.9Å; F150-L195 HydrophobicContact CZ-CG 4.46Å; L195-F233 HydrophobicContact CD2-CE1 4.41Å; L195-F233 HydrophobicContact CD2-CZ 4.5Å; L195-V253 HydrophobicContact CD1-CG1 4.24Å; L195-V253 HydrophobicContact CD1-CG2 4.19Å; L195-K283 HydrophobicContact CD1-CB 3.97Å; L195-K283 HydrophobicContact CD1-CG 4.27Å; L195-V285 HydrophobicContact CD1-CG2 3.98Å; L195-Y326 VanDerWaalsContact CA-OH 3.32Å; L195-Y326 WeakPolarHBondContact CA-OH 3.45Å; L195-Y326 HydrophobicContact CB-CE1 4.21Å; L195-Y326 HydrophobicContact CD1-CD2 4Å; L195-Y326 HydrophobicContact CD1-CE1 4.5Å; L195-Y326 HydrophobicContact CD1-CE2 3.87Å; L195-Y326 HydrophobicContact CD1-CG 4.4Å; L195-Y326 PolarHBondContact N-OH 2.63Å; L195-Y326 VanDerWaalsContact N-OH 3.11Å; L195-T365 HydrophobicContact CD2-CG2 4.02Å; L195-A369 HydrophobicContact CD2-CB 3.8Å
196	L	95.1	Very high	91.8	Very high	18 Å²	18	69 Å²	69	9%	0.094	39%	0.392	C	S	.	.			trans	-126.7	151.6	177.3	-51.1	-175.2	0	0	0	109.9	P194 I206 Y231 F233 V253 A369 C370	P194-L196 VanDerWaalsContact C-N 3.34Å; P194-L196 PolarHBondContact O-N 3.26Å; L196-I206 HydrophobicContact CB-CD1 4.47Å; L196-I206 HydrophobicContact CD1-CG2 3.84Å; L196-Y231 HydrophobicContact CB-CD2 4.33Å; L196-Y231 HydrophobicContact CB-CE2 3.98Å; L196-Y231 HydrophobicContact CD1-CD2 4.04Å; L196-Y231 HydrophobicContact CD1-CE2 4.48Å; L196-Y231 HydrophobicContact CD1-CG 4.29Å; L196-Y231 HydrophobicContact CD2-CD1 3.56Å; L196-Y231 HydrophobicContact CD2-CD2 4.03Å; L196-Y231 HydrophobicContact CD2-CE1 3.88Å; L196-Y231 HydrophobicContact CD2-CE2 4.33Å; L196-Y231 HydrophobicContact CD2-CG 3.62Å; L196-Y231 HydrophobicContact CG-CD2 4.37Å; L196-Y231 HydrophobicContact CG-CG 4.44Å; L196-F233 HydrophobicContact CD1-CE2 4.21Å; L196-F233 HydrophobicContact CD1-CZ 4.03Å; L196-F233 HydrophobicContact CD2-CE2 4.33Å; L196-F233 HydrophobicContact CD2-CZ 4.05Å; L196-F233 HydrophobicContact CG-CZ 4.44Å; L196-V253 HydrophobicContact CD2-CG2 3.94Å; L196-A369 HydrophobicContact CD1-CB 3.69Å; L196-A369 HydrophobicContact CG-CB 4.12Å; L196-C370 WeakPolarHBondContact CD1-SG 3.42Å
197	R	90.8	Very high	91.8	Very high	145 Å²	145	66.7 Å²	66.7	55%	0.547	38%	0.383	S	S	.	.			trans	-117.5	144.9	169	-65.9	-175.5	178.8	172.5	0.6	109.7	P194 K199 Y231	P194-R197 HydrophobicContact CG-CG 3.52Å; R197-K199 PolarHBondContact O-N 2.83Å; R197-Y231 PolarHBondContact N-OH 2.74Å; R197-Y231 WeakPolarHBondContact O-CE2 3.24Å; R197-Y231 PolarHBondContact O-OH 3.37Å
198	P	86.4	Confident	91.9	Very high	100 Å²	100	64.8 Å²	64.8	65%	0.649	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-55	136.4	168.2	-23.7	34.1	0	0	0	110.2	P200 I206	P198-P200 WeakPolarHBondContact O-CD 3.5Å; P198-I206 HydrophobicContact CG-CD1 4.41Å
199	K	84.6	Confident	92	Very high	114 Å²	114	64.4 Å²	64.4	50%	0.496	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-71.1	123.7	177.4	-178.3	175	176.3	-174.1	0	109.7	R197 G201 G202 D230	R197-K199 PolarHBondContact O-N 2.83Å; K199-G201 PolarHBondContact O-N 2.79Å; K199-G202 PolarHBondContact O-N 3.28Å; K199-D230 HydrophobicContact CD-CB 4.5Å; K199-D230 WeakPolarHBondContact CD-OD1 3.43Å; K199-D230 IonicContact NZ-OD1 3.08Å; K199-D230 PolarHBondContact NZ-OD1 3.46Å; K199-D230 VanDerWaalsContact NZ-OD1 3.11Å
200	P	84.4	Confident	92.2	Very high	127 Å²	127	62.7 Å²	62.7	83%	0.825	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	133	174.7	-23.1	33.9	0	0	0	110.9	P198 G202	P198-P200 WeakPolarHBondContact O-CD 3.5Å; P200-G202 PolarHBondContact O-N 3.03Å
201	G	82.5	Confident	92.3	Very high	90 Å²	90	56.5 Å²	56.5	93%	0.928	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	9.7	-179.4	0	0	0	0	0	115.5	K199	K199-G201 PolarHBondContact O-N 2.79Å
202	G	83.6	Confident	92.5	Very high	41 Å²	41	55.8 Å²	55.8	42%	0.423	33%	0.328	S	S	.	.	S	Bend	trans	-74.9	-179.8	170.9	0	0	0	0	0	113.2	K199 P200 G204	K199-G202 PolarHBondContact O-N 3.28Å; P200-G202 PolarHBondContact O-N 3.03Å; G202-G204 PolarHBondContact O-N 3.19Å; G202-G204 VanDerWaalsContact O-N 3.16Å
203	D	88.4	Confident	92.6	Very high	106 Å²	106	48.5 Å²	48.5	57%	0.567	30%	0.299	S	S	*	.			trans	-73.2	3.5	177	64	-3.7	0	0	0	114.2	C205 H207	D203-C205 WeakPolarHBondContact OD1-CB 3.19Å; D203-C205 PolarHBondContact OD1-N 3.22Å; D203-H207 IonicContact OD1-CD2 3.54Å; D203-H207 IonicContact OD1-NE2 3.83Å; D203-H207 PolarHBondContact OD1-NE2 3.44Å; D203-H207 IonicContact OD2-CD2 3.34Å; D203-H207 IonicContact OD2-CE1 2.81Å; D203-H207 IonicContact OD2-NE2 2.66Å; D203-H207 PolarHBondContact OD2-NE2 2.94Å
204	G	87.2	Confident	92.8	Very high	42 Å²	42	46.9 Å²	46.9	43%	0.433	30%	0.295	S	S	.	.	S	Bend	trans	89	0.6	-176.7	0	0	0	0	0	114.5	G202	G202-G204 PolarHBondContact O-N 3.19Å; G202-G204 VanDerWaalsContact O-N 3.16Å
205	C	93.7	Very high	93	Very high	9 Å²	9	44.2 Å²	44.2	6%	0.061	28%	0.278	C	S	.	.			trans	-104.7	152.6	174.2	-60.6	0	0	0	0	111.6	C127 D203 D371 I372	C127-C205 VanDerWaalsContact CA-SG 3.59Å; C127-C205 HydrophobicContact CB-CB 3.77Å; C127-C205 WeakPolarHBondContact CB-SG 3.29Å; C127-C205 WeakPolarHBondContact SG-CB 3.22Å; C127-C205 CovalentContact SG-SG 2.02Å; C127-C205 PolarHBondContact SG-SG 2.88Å; D203-C205 WeakPolarHBondContact OD1-CB 3.19Å; D203-C205 PolarHBondContact OD1-N 3.22Å; C205-D371 HydrophobicContact CB-CB 4.29Å; C205-I372 HydrophobicContact CB-CD1 4.09Å
206	I	95.9	Very high	93.1	Very high	17 Å²	17	43.5 Å²	43.5	9%	0.087	28%	0.275	C	S	.	.			trans	-99.2	108.7	167	-59.5	-180	0	0	0	108.9	L196 P198 Y231 C370 D371 I372	L196-I206 HydrophobicContact CB-CD1 4.47Å; L196-I206 HydrophobicContact CD1-CG2 3.84Å; P198-I206 HydrophobicContact CG-CD1 4.41Å; I206-Y231 HydrophobicContact CG2-CD2 3.62Å; I206-Y231 HydrophobicContact CG2-CE2 3.85Å; I206-C370 HydrophobicContact CG2-CB 4.34Å; I206-D371 PolarHBondContact N-OD2 3.08Å; I206-D371 PolarHBondContact O-N 2.82Å; I206-I372 PolarHBondContact O-N 3.14Å; I206-I372 VanDerWaalsContact O-N 3.16Å
207	H	97.6	Very high	93.3	Very high	45 Å²	45	42.7 Å²	42.7	21%	0.208	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.1	179	-62.8	-95.9	0	0	0	111.2	D203 D230 Y231 I372	D203-H207 IonicContact OD1-CD2 3.54Å; D203-H207 IonicContact OD1-NE2 3.83Å; D203-H207 PolarHBondContact OD1-NE2 3.44Å; D203-H207 IonicContact OD2-CD2 3.34Å; D203-H207 IonicContact OD2-CE1 2.81Å; D203-H207 IonicContact OD2-NE2 2.66Å; D203-H207 PolarHBondContact OD2-NE2 2.94Å; H207-D230 IonicContact CD2-OD2 3.96Å; H207-D230 PolarHBondContact CD2-OD2 2.85Å; H207-D230 IonicContact CG-OD2 3.87Å; H207-D230 PolarHBondContact N-OD2 3.26Å; H207-D230 WeakPolarHBondContact O-CB 3.47Å; H207-D230 PolarHBondContact O-N 3.31Å; H207-Y231 PolarHBondContact O-N 2.72Å; H207-Y231 VanDerWaalsContact O-N 3.15Å; H207-I372 WeakPolarHBondContact CE1-CD1 3.44Å
208	C	98.8	Very high	93.6	Very high	0 Å²	0	38 Å²	38	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.8	-175.9	-66.2	0	0	0	0	112.9	H229 Y231 F233 C370 I372 V373 S374	C208-H229 PolarHBondContact O-CD2 2.61Å; C208-Y231 WeakPolarHBondContact CA-O 3.33Å; C208-F233 HydrophobicContact CB-CD2 4.28Å; C208-F233 HydrophobicContact CB-CE2 4.06Å; C208-C370 HydrophobicContact CB-CB 3.66Å; C208-C370 WeakPolarHBondContact CB-SG 3.11Å; C208-C370 WeakPolarHBondContact SG-CB 3.17Å; C208-C370 CovalentContact SG-SG 2.01Å; C208-C370 PolarHBondContact SG-SG 2.98Å; C208-I372 PolarHBondContact N-O 3.42Å; C208-V373 WeakPolarHBondContact O-CA 3.27Å; C208-S374 PolarHBondContact O-N 2.97Å
209	A	98.9	Very high	94.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	130.9	165	0	0	0	0	0	109.6	I226 H229 Y231 V232 F233 S374 Y376	A209-I226 HydrophobicContact CB-CG2 4.15Å; A209-H229 HydrophobicContact CB-CB 3.98Å; A209-H229 PolarHBondContact N-CD2 3.02Å; A209-Y231 PolarHBondContact N-O 3Å; A209-V232 HydrophobicContact CB-CG2 4.45Å; A209-V232 CarbonylContact O-C 3.58Å; A209-V232 WeakPolarHBondContact O-CA 3.44Å; A209-F233 PolarHBondContact O-N 3.46Å; A209-S374 CarbonylContact C-O 3.59Å; A209-S374 WeakPolarHBondContact CA-O 3.43Å; A209-Y376 HydrophobicContact CB-CD2 4.1Å; A209-Y376 HydrophobicContact CB-CE2 3.78Å
210	V	98.9	Very high	94.8	Very high	0 Å²	0	31 Å²	31	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	118	170.7	-172.8	0	0	0	0	108.5	F233 M235 T362 V363 A366 V373 S374 Y376 F378	V210-F233 HydrophobicContact CB-CB 4.43Å; V210-F233 HydrophobicContact CG1-CB 4.25Å; V210-F233 HydrophobicContact CG2-CB 4.17Å; V210-F233 HydrophobicContact CG2-CG 4.5Å; V210-M235 HydrophobicContact CG1-CE 3.74Å; V210-T362 HydrophobicContact CG1-CG2 3.79Å; V210-V363 HydrophobicContact CG1-CG2 4.13Å; V210-A366 HydrophobicContact CG2-CB 3.43Å; V210-A366 VanDerWaalsContact CG2-CB 3.43Å; V210-V373 HydrophobicContact CG2-CG1 3.89Å; V210-S374 PolarHBondContact N-O 3.46Å; V210-Y376 PolarHBondContact O-N 3.03Å; V210-F378 HydrophobicContact CB-CE2 4.26Å; V210-F378 HydrophobicContact CG1-CE2 3.79Å; V210-F378 HydrophobicContact CG1-CZ 3.66Å
211	V	98.9	Very high	95.4	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	100.5	-173.2	-168.4	0	0	0	0	110.1	L217 I226 V232 F233 R234 M235 Y376	V211-L217 HydrophobicContact CG1-CD1 3.73Å; V211-I226 HydrophobicContact CG1-CD1 4.45Å; V211-I226 HydrophobicContact CG2-CD1 4.14Å; V211-I226 HydrophobicContact CG2-CG1 4.34Å; V211-I226 HydrophobicContact CG2-CG2 3.68Å; V211-V232 HydrophobicContact CG2-CG1 3.89Å; V211-F233 PolarHBondContact N-O 2.94Å; V211-R234 HydrophobicContact CB-CG 4.33Å; V211-M235 VanDerWaalsContact O-CE 3.28Å; V211-M235 WeakPolarHBondContact O-CE 3.5Å; V211-Y376 CarbonylContact C-O 3.57Å; V211-Y376 WeakPolarHBondContact CA-O 3.4Å
212	G	98.6	Very high	96.2	Very high	5 Å²	5	28.2 Å²	28.2	5%	0.052	18%	0.182	C	C	.	.			trans	-73.7	175.1	166.8	0	0	0	0	0	112.2	Y376 G377	G212-Y376 PolarHBondContact N-O 3.4Å; G212-G377 CarbonylContact C-O 3.45Å; G212-G377 VanDerWaalsContact C-O 3.23Å; G212-G377 WeakPolarHBondContact CA-O 3.41Å
213	T	98.1	Very high	96.9	Very high	24 Å²	24	26.3 Å²	26.3	15%	0.147	16%	0.163	C	C	.	.			trans	-103.9	6.9	-171.4	58.7	0	0	0	0	114.7	G377 Y389 Y390	T213-G377 PolarHBondContact N-O 3.04Å; T213-Y389 CarbonylContact O-C 3.23Å; T213-Y389 WeakPolarHBondContact O-CA 3.24Å; T213-Y390 HydrophobicContact CG2-CE1 4.23Å; T213-Y390 WeakPolarHBondContact O-CD1 3.31Å; T213-Y390 PolarHBondContact O-N 3.01Å
214	A	97.8	Very high	97.4	Very high	23 Å²	23	25.3 Å²	25.3	19%	0.19	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-65.7	150.6	-173.6	0	0	0	0	0	113.1	I216 L217 G377 C388	A214-I216 HydrophobicContact CB-CG2 4.24Å; A214-I216 PolarHBondContact O-N 3.13Å; A214-L217 PolarHBondContact O-N 2.9Å; A214-G377 WeakPolarHBondContact CB-O 3.46Å; A214-G377 PolarHBondContact N-O 3.15Å; A214-C388 WeakPolarHBondContact CA-O 3.36Å
215	G	97.7	Very high	98	Very high	4 Å²	4	26.6 Å²	26.6	4%	0.041	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-59.4	-14.9	-177.7	0	0	0	0	0	116.2	L217 N218 Y386 S387 C388	G215-L217 PolarHBondContact O-N 3.22Å; G215-N218 WeakPolarHBondContact O-CB 3.32Å; G215-N218 PolarHBondContact O-N 3.05Å; G215-Y386 VanDerWaalsContact C-CB 3.48Å; G215-S387 WeakPolarHBondContact CA-O 3.37Å; G215-S387 PolarHBondContact N-O 3.16Å; G215-S387 VanDerWaalsContact N-O 3.15Å; G215-C388 PolarHBondContact N-O 3.07Å
216	I	97.9	Very high	98.2	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.01	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-59.7	-15.8	176	-165.7	171.4	0	0	0	112.9	A214 T380 Y386 Y426 R428	A214-I216 HydrophobicContact CB-CG2 4.24Å; A214-I216 PolarHBondContact O-N 3.13Å; I216-T380 HydrophobicContact CD1-CG2 3.88Å; I216-Y386 HydrophobicContact CB-CD1 4.49Å; I216-Y386 HydrophobicContact CB-CD2 3.69Å; I216-Y386 HydrophobicContact CB-CE2 3.97Å; I216-Y386 HydrophobicContact CB-CG 4Å; I216-Y386 HydrophobicContact CD1-CD2 4.37Å; I216-Y386 HydrophobicContact CD1-CE2 3.84Å; I216-Y386 HydrophobicContact CG1-CD2 3.92Å; I216-Y386 HydrophobicContact CG1-CE1 4.37Å; I216-Y386 HydrophobicContact CG1-CE2 3.63Å; I216-Y386 HydrophobicContact CG1-CG 4.41Å; I216-Y426 HydrophobicContact CD1-CD1 4.47Å; I216-Y426 HydrophobicContact CD1-CE1 4.39Å; I216-Y426 HydrophobicContact CG1-CD1 4.43Å; I216-Y426 HydrophobicContact CG1-CE1 4Å; I216-R428 HydrophobicContact CD1-CG 4.28Å; I216-R428 HydrophobicContact CG1-CG 3.93Å; I216-R428 PolarHBondContact O-NE 3.38Å; I216-R428 PolarHBondContact O-NH2 3.39Å
217	L	98.4	Very high	98.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-84.1	-17.9	174.4	-63.5	179.3	0	0	0	114.3	V211 A214 G215 G219 S220 D246 V247 Y390 Y426	V211-L217 HydrophobicContact CG1-CD1 3.73Å; A214-L217 PolarHBondContact O-N 2.9Å; G215-L217 PolarHBondContact O-N 3.22Å; L217-G219 PolarHBondContact O-N 3.43Å; L217-G219 VanDerWaalsContact O-N 3.13Å; L217-S220 WeakPolarHBondContact O-CB 3.32Å; L217-S220 PolarHBondContact O-N 3.04Å; L217-S220 PolarHBondContact O-OG 3.46Å; L217-D246 VanDerWaalsContact O-CB 3.24Å; L217-D246 WeakPolarHBondContact O-CB 3.41Å; L217-V247 HydrophobicContact CB-CG1 4.08Å; L217-V247 HydrophobicContact CD1-CG1 3.96Å; L217-Y390 HydrophobicContact CB-CD1 4.24Å; L217-Y390 HydrophobicContact CB-CG 4.25Å; L217-Y390 HydrophobicContact CD1-CD1 4.16Å; L217-Y426 HydrophobicContact CD2-CD1 4.01Å; L217-Y426 HydrophobicContact CD2-CE1 4.07Å
218	N	97.7	Very high	98.4	Very high	46 Å²	46	28.2 Å²	28.2	25%	0.246	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	113	-177.3	177.1	33.6	0	0	0	112.3	G215 S220 R393 R428	G215-N218 WeakPolarHBondContact O-CB 3.32Å; G215-N218 PolarHBondContact O-N 3.05Å; N218-S220 VanDerWaalsContact C-N 3.34Å; N218-R393 PolarHBondContact ND2-O 3.17Å; N218-R428 VanDerWaalsContact C-NH2 3.35Å; N218-R428 PolarHBondContact O-NH1 3.29Å; N218-R428 PolarHBondContact O-NH2 3.01Å
219	G	97.1	Very high	98.4	Very high	51 Å²	51	29.1 Å²	29.1	53%	0.526	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	24	-173.4	0	0	0	0	0	114.1	L217 D246	L217-G219 PolarHBondContact O-N 3.43Å; L217-G219 VanDerWaalsContact O-N 3.13Å; G219-D246 WeakPolarHBondContact CA-OD1 3.3Å; G219-D246 PolarHBondContact N-OD1 3.18Å; G219-D246 PolarHBondContact N-OD2 2.7Å
220	S	98.1	Very high	98.3	Very high	16 Å²	16	30.1 Å²	30.1	11%	0.112	19%	0.193	C	C	.	.			trans	-83	-24.2	178.6	66.4	0	0	0	0	113.5	L217 N218 M222 D246 Y426	L217-S220 WeakPolarHBondContact O-CB 3.32Å; L217-S220 PolarHBondContact O-N 3.04Å; L217-S220 PolarHBondContact O-OG 3.46Å; N218-S220 VanDerWaalsContact C-N 3.34Å; S220-M222 PolarHBondContact O-N 3.28Å; S220-M222 PolarHBondContact OG-N 3.5Å; S220-D246 PolarHBondContact N-OD1 3.23Å; S220-D246 PolarHBondContact OG-O 3.31Å; S220-Y426 VanDerWaalsContact CB-OH 3.25Å; S220-Y426 WeakPolarHBondContact CB-OH 3.31Å
221	K	98.2	Very high	98.3	Very high	135 Å²	135	32.2 Å²	32.2	59%	0.587	20%	0.201	S	C	*	.			trans	58	23.5	-175.3	-51.8	-169.6	173.7	-130.8	0	115	G223 E245 D246	K221-G223 PolarHBondContact O-N 3.04Å; K221-E245 CarbonylContact C-O 3.55Å; K221-E245 WeakPolarHBondContact CA-O 3.47Å; K221-E245 HydrophobicContact CB-CG 4.39Å; K221-E245 WeakPolarHBondContact CD-OE1 3.34Å; K221-E245 VanDerWaalsContact CE-OE1 3.27Å; K221-E245 WeakPolarHBondContact CE-OE1 3.46Å; K221-E245 HydrophobicContact CG-CG 4.18Å; K221-E245 IonicContact NZ-OE1 2.73Å; K221-E245 PolarHBondContact NZ-OE1 3.47Å; K221-D246 PolarHBondContact N-OD1 2.97Å
222	M	98.7	Very high	98.3	Very high	25 Å²	25	32.1 Å²	32.1	12%	0.123	20%	0.201	C	C	.	.			trans	-79.5	-1.5	-177.3	-61.8	-55.3	-66.1	0	0	113.6	S220 A224 E225 I226 E245 Y376 Y426	S220-M222 PolarHBondContact O-N 3.28Å; S220-M222 PolarHBondContact OG-N 3.5Å; M222-A224 VanDerWaalsContact C-N 3.35Å; M222-A224 PolarHBondContact O-N 2.62Å; M222-E225 HydrophobicContact CE-CB 4.22Å; M222-E225 HydrophobicContact CE-CG 4.34Å; M222-E225 WeakPolarHBondContact CE-OE2 3.31Å; M222-E225 PolarHBondContact O-N 3.08Å; M222-E225 VanDerWaalsContact O-N 3.14Å; M222-I226 HydrophobicContact CB-CD1 4.04Å; M222-I226 HydrophobicContact CB-CG1 4.43Å; M222-I226 WeakPolarHBondContact O-CG1 3.46Å; M222-I226 PolarHBondContact O-N 3.09Å; M222-E245 PolarHBondContact N-O 3.02Å; M222-Y376 HydrophobicContact CB-CD1 4.29Å; M222-Y376 HydrophobicContact CE-CD1 4.28Å; M222-Y376 HydrophobicContact CE-CE1 3.66Å; M222-Y426 HydrophobicContact CE-CD2 3.72Å; M222-Y426 HydrophobicContact CE-CE2 3.91Å; M222-Y426 HydrophobicContact CG-CD2 3.97Å; M222-Y426 HydrophobicContact CG-CE1 4.26Å; M222-Y426 HydrophobicContact CG-CE2 3.58Å; M222-Y426 HydrophobicContact CG-CG 4.48Å; M222-Y426 HydrophobicContact SD-CD2 3.91Å; M222-Y426 HydrophobicContact SD-CE2 3.44Å; M222-Y426 WeakPolarHBondContact SD-CE2 3.41Å
223	G	98.8	Very high	98.3	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-58.9	-42.6	-171.8	0	0	0	0	0	113.9	K221 E225 I226 D227 E245 D246	K221-G223 PolarHBondContact O-N 3.04Å; G223-E225 PolarHBondContact O-N 3.26Å; G223-I226 PolarHBondContact O-N 3.16Å; G223-D227 WeakPolarHBondContact O-CB 3.37Å; G223-D227 PolarHBondContact O-N 3.26Å; G223-E245 WeakPolarHBondContact CA-O 3.36Å; G223-E245 PolarHBondContact N-O 2.72Å; G223-D246 PolarHBondContact N-O 3.08Å
224	A	98.8	Very high	98.3	Very high	84 Å²	84	30.8 Å²	30.8	69%	0.694	19%	0.191	S	C	*	.	H	α-helix	trans	-64.8	-39.7	177.4	0	0	0	0	0	112.7	M222 A228	M222-A224 VanDerWaalsContact C-N 3.35Å; M222-A224 PolarHBondContact O-N 2.62Å; A224-A228 WeakPolarHBondContact O-CB 3.42Å; A224-A228 PolarHBondContact O-N 3.19Å; A224-A228 VanDerWaalsContact O-N 3.11Å
225	E	98.8	Very high	98.4	Very high	69 Å²	69	29.8 Å²	29.8	32%	0.322	18%	0.183	S	C	.	.	H	α-helix	trans	-68.1	-42.4	176	-178.1	175.8	153.8	0	0	111.1	M222 G223 D227 A228 H229 Y376 K424	M222-E225 HydrophobicContact CE-CB 4.22Å; M222-E225 HydrophobicContact CE-CG 4.34Å; M222-E225 WeakPolarHBondContact CE-OE2 3.31Å; M222-E225 PolarHBondContact O-N 3.08Å; M222-E225 VanDerWaalsContact O-N 3.14Å; G223-E225 PolarHBondContact O-N 3.26Å; E225-D227 PolarHBondContact O-N 2.91Å; E225-A228 WeakPolarHBondContact O-CB 3.1Å; E225-A228 PolarHBondContact O-N 3.18Å; E225-H229 PolarHBondContact O-CE1 3.34Å; E225-H229 VanDerWaalsContact O-CE1 3.25Å; E225-H229 PolarHBondContact O-ND1 2.76Å; E225-Y376 PolarHBondContact OE1-OH 2.67Å; E225-K424 IonicContact OE1-NZ 2.7Å; E225-K424 PolarHBondContact OE1-NZ 3.16Å
226	I	98.9	Very high	98.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-57	-51.2	175.5	-72	165	0	0	0	109.9	A209 V211 M222 G223 A228 H229 V232 Y376	A209-I226 HydrophobicContact CB-CG2 4.15Å; V211-I226 HydrophobicContact CG1-CD1 4.45Å; V211-I226 HydrophobicContact CG2-CD1 4.14Å; V211-I226 HydrophobicContact CG2-CG1 4.34Å; V211-I226 HydrophobicContact CG2-CG2 3.68Å; M222-I226 HydrophobicContact CB-CD1 4.04Å; M222-I226 HydrophobicContact CB-CG1 4.43Å; M222-I226 WeakPolarHBondContact O-CG1 3.46Å; M222-I226 PolarHBondContact O-N 3.09Å; G223-I226 PolarHBondContact O-N 3.16Å; I226-A228 PolarHBondContact O-N 3.15Å; I226-H229 PolarHBondContact O-N 3.4Å; I226-H229 PolarHBondContact O-ND1 3.18Å; I226-V232 HydrophobicContact CG2-CG1 3.9Å; I226-V232 HydrophobicContact CG2-CG2 4.19Å; I226-Y376 HydrophobicContact CD1-CD1 4.2Å; I226-Y376 HydrophobicContact CD1-CD2 4.4Å; I226-Y376 HydrophobicContact CD1-CG 4Å; I226-Y376 HydrophobicContact CG1-CD1 3.96Å; I226-Y376 HydrophobicContact CG1-CD2 3.8Å; I226-Y376 HydrophobicContact CG1-CE1 4.13Å; I226-Y376 HydrophobicContact CG1-CE2 3.95Å; I226-Y376 HydrophobicContact CG1-CG 3.81Å
227	D	98.8	Very high	98.2	Very high	31 Å²	31	31.5 Å²	31.5	17%	0.166	19%	0.192	C	C	.	.	H	α-helix	trans	-71.9	-11.3	-177.8	-71.7	-21.8	0	0	0	113.5	G223 E225 H229 G248 N249 R250	G223-D227 WeakPolarHBondContact O-CB 3.37Å; G223-D227 PolarHBondContact O-N 3.26Å; E225-D227 PolarHBondContact O-N 2.91Å; D227-H229 VanDerWaalsContact C-N 3.31Å; D227-G248 WeakPolarHBondContact OD2-CA 3.42Å; D227-N249 PolarHBondContact OD1-N 2.9Å; D227-N249 PolarHBondContact OD2-N 3.16Å; D227-N249 PolarHBondContact OD2-OD1 2.8Å; D227-R250 HydrophobicContact CB-CG 4.35Å; D227-R250 PolarHBondContact O-NH1 2.68Å; D227-R250 WeakPolarHBondContact OD1-CB 3.34Å; D227-R250 PolarHBondContact OD1-N 2.91Å
228	A	98.1	Very high	98.2	Very high	75 Å²	75	31.7 Å²	31.7	62%	0.62	19%	0.194	S	C	*	.	H	α-helix	trans	-75.9	-17.5	173.1	0	0	0	0	0	113.4	A224 E225 I226	A224-A228 WeakPolarHBondContact O-CB 3.42Å; A224-A228 PolarHBondContact O-N 3.19Å; A224-A228 VanDerWaalsContact O-N 3.11Å; E225-A228 WeakPolarHBondContact O-CB 3.1Å; E225-A228 PolarHBondContact O-N 3.18Å; I226-A228 PolarHBondContact O-N 3.15Å
229	H	98.3	Very high	98.2	Very high	19 Å²	19	29.5 Å²	29.5	9%	0.088	18%	0.182	C	C	.	.	S	Bend	trans	-70.1	156.5	177.5	-65.5	66.7	0	0	0	111	C208 A209 E225 I226 D227 Y231 R250 S374 Y376	C208-H229 PolarHBondContact O-CD2 2.61Å; A209-H229 HydrophobicContact CB-CB 3.98Å; A209-H229 PolarHBondContact N-CD2 3.02Å; E225-H229 PolarHBondContact O-CE1 3.34Å; E225-H229 VanDerWaalsContact O-CE1 3.25Å; E225-H229 PolarHBondContact O-ND1 2.76Å; I226-H229 PolarHBondContact O-N 3.4Å; I226-H229 PolarHBondContact O-ND1 3.18Å; D227-H229 VanDerWaalsContact C-N 3.31Å; H229-Y231 VanDerWaalsContact C-N 3.33Å; H229-Y231 PolarHBondContact O-N 2.83Å; H229-R250 PolarHBondContact O-NH1 2.94Å; H229-S374 VanDerWaalsContact NE2-CB 3.34Å; H229-S374 WeakPolarHBondContact NE2-CB 3.46Å; H229-S374 PolarHBondContact NE2-OG 3.11Å; H229-Y376 PolarHBondContact CE1-OH 2.97Å; H229-Y376 VanDerWaalsContact CE1-OH 3.22Å
230	D	97.5	Very high	98.2	Very high	20 Å²	20	28.5 Å²	28.5	11%	0.107	16%	0.164	C	C	.	.	S	Bend	trans	-64.7	-42.9	178.1	-59.1	-42.8	0	0	0	110.8	K199 H207 R250	K199-D230 HydrophobicContact CD-CB 4.5Å; K199-D230 WeakPolarHBondContact CD-OD1 3.43Å; K199-D230 IonicContact NZ-OD1 3.08Å; K199-D230 PolarHBondContact NZ-OD1 3.46Å; K199-D230 VanDerWaalsContact NZ-OD1 3.11Å; H207-D230 IonicContact CD2-OD2 3.96Å; H207-D230 PolarHBondContact CD2-OD2 2.85Å; H207-D230 IonicContact CG-OD2 3.87Å; H207-D230 PolarHBondContact N-OD2 3.26Å; H207-D230 WeakPolarHBondContact O-CB 3.47Å; H207-D230 PolarHBondContact O-N 3.31Å; D230-R250 PolarHBondContact O-NH2 3.17Å
231	Y	98.6	Very high	98.2	Very high	45 Å²	45	32.7 Å²	32.7	18%	0.176	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138	-179.1	-63.3	-79.3	0	0	0	112.4	L196 R197 I206 H207 C208 A209 H229 S252	L196-Y231 HydrophobicContact CB-CD2 4.33Å; L196-Y231 HydrophobicContact CB-CE2 3.98Å; L196-Y231 HydrophobicContact CD1-CD2 4.04Å; L196-Y231 HydrophobicContact CD1-CE2 4.48Å; L196-Y231 HydrophobicContact CD1-CG 4.29Å; L196-Y231 HydrophobicContact CD2-CD1 3.56Å; L196-Y231 HydrophobicContact CD2-CD2 4.03Å; L196-Y231 HydrophobicContact CD2-CE1 3.88Å; L196-Y231 HydrophobicContact CD2-CE2 4.33Å; L196-Y231 HydrophobicContact CD2-CG 3.62Å; L196-Y231 HydrophobicContact CG-CD2 4.37Å; L196-Y231 HydrophobicContact CG-CG 4.44Å; R197-Y231 PolarHBondContact N-OH 2.74Å; R197-Y231 WeakPolarHBondContact O-CE2 3.24Å; R197-Y231 PolarHBondContact O-OH 3.37Å; I206-Y231 HydrophobicContact CG2-CD2 3.62Å; I206-Y231 HydrophobicContact CG2-CE2 3.85Å; H207-Y231 PolarHBondContact O-N 2.72Å; H207-Y231 VanDerWaalsContact O-N 3.15Å; C208-Y231 WeakPolarHBondContact CA-O 3.33Å; A209-Y231 PolarHBondContact N-O 3Å; H229-Y231 VanDerWaalsContact C-N 3.33Å; H229-Y231 PolarHBondContact O-N 2.83Å; Y231-S252 WeakPolarHBondContact CA-OG 3.27Å
232	V	98.9	Very high	98.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119.1	176.3	-175.3	0	0	0	0	110	A209 V211 I226 R234 R250 S252 V253	A209-V232 HydrophobicContact CB-CG2 4.45Å; A209-V232 CarbonylContact O-C 3.58Å; A209-V232 WeakPolarHBondContact O-CA 3.44Å; V211-V232 HydrophobicContact CG2-CG1 3.89Å; I226-V232 HydrophobicContact CG2-CG1 3.9Å; I226-V232 HydrophobicContact CG2-CG2 4.19Å; V232-R234 HydrophobicContact CG1-CG 4.21Å; V232-R250 WeakPolarHBondContact CG1-O 3.39Å; V232-R250 HydrophobicContact CG2-CB 4.15Å; V232-S252 PolarHBondContact N-OG 3.21Å; V232-S252 VanDerWaalsContact N-OG 3.16Å; V232-S252 PolarHBondContact O-N 3.18Å; V232-V253 PolarHBondContact O-N 3.47Å
233	F	98.9	Very high	98.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.1	175.3	-71.1	-110.4	0	0	0	109.5	L195 L196 C208 A209 V210 V211 V253 T362 T365 A366	L195-F233 HydrophobicContact CD2-CE1 4.41Å; L195-F233 HydrophobicContact CD2-CZ 4.5Å; L196-F233 HydrophobicContact CD1-CE2 4.21Å; L196-F233 HydrophobicContact CD1-CZ 4.03Å; L196-F233 HydrophobicContact CD2-CE2 4.33Å; L196-F233 HydrophobicContact CD2-CZ 4.05Å; L196-F233 HydrophobicContact CG-CZ 4.44Å; C208-F233 HydrophobicContact CB-CD2 4.28Å; C208-F233 HydrophobicContact CB-CE2 4.06Å; A209-F233 PolarHBondContact O-N 3.46Å; V210-F233 HydrophobicContact CB-CB 4.43Å; V210-F233 HydrophobicContact CG1-CB 4.25Å; V210-F233 HydrophobicContact CG2-CB 4.17Å; V210-F233 HydrophobicContact CG2-CG 4.5Å; V211-F233 PolarHBondContact N-O 2.94Å; F233-V253 CarbonylContact C-O 3.56Å; F233-V253 WeakPolarHBondContact CA-O 3.47Å; F233-V253 HydrophobicContact CD1-CB 3.55Å; F233-V253 HydrophobicContact CD1-CG1 3.67Å; F233-V253 HydrophobicContact CD1-CG2 4.05Å; F233-V253 HydrophobicContact CD2-CB 4.48Å; F233-V253 HydrophobicContact CD2-CG2 4.49Å; F233-V253 HydrophobicContact CE1-CB 3.68Å; F233-V253 HydrophobicContact CE1-CG1 3.68Å; F233-V253 HydrophobicContact CE1-CG2 3.69Å; F233-V253 HydrophobicContact CE2-CG2 4.15Å; F233-V253 HydrophobicContact CG-CB 3.98Å; F233-V253 HydrophobicContact CG-CG2 4.43Å; F233-V253 HydrophobicContact CZ-CB 4.2Å; F233-V253 HydrophobicContact CZ-CG2 3.74Å; F233-T362 HydrophobicContact CB-CG2 3.94Å; F233-T362 HydrophobicContact CD1-CG2 4.27Å; F233-T365 HydrophobicContact CE1-CG2 4.1Å; F233-A366 HydrophobicContact CD1-CB 4.41Å; F233-A366 HydrophobicContact CD2-CB 4.3Å; F233-A366 HydrophobicContact CE1-CB 4.34Å; F233-A366 HydrophobicContact CE2-CB 4.25Å; F233-A366 HydrophobicContact CG-CB 4.4Å; F233-A366 HydrophobicContact CZ-CB 4.27Å
234	R	98.9	Very high	98.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	165	173.1	-60.4	-169.7	-168.8	-91.5	-3.7	110.6	V211 V232 A238 V247 G248 R250 T251 V253 Y254 V255	V211-R234 HydrophobicContact CB-CG 4.33Å; V232-R234 HydrophobicContact CG1-CG 4.21Å; R234-A238 HydrophobicContact CB-CB 3.88Å; R234-A238 HydrophobicContact CG-CB 4.46Å; R234-V247 VanDerWaalsContact CZ-O 3.23Å; R234-V247 PolarHBondContact NH1-O 2.9Å; R234-V247 PolarHBondContact NH2-O 3.04Å; R234-G248 PolarHBondContact NH2-O 3.22Å; R234-R250 PolarHBondContact NE-O 2.93Å; R234-R250 PolarHBondContact NH2-O 3.2Å; R234-T251 HydrophobicContact CB-CG2 3.93Å; R234-T251 WeakPolarHBondContact CD-OG1 3.48Å; R234-T251 HydrophobicContact CG-CG2 3.9Å; R234-T251 PolarHBondContact NE-OG1 3.04Å; R234-T251 VanDerWaalsContact NE-OG1 3.1Å; R234-V253 PolarHBondContact N-O 3.06Å; R234-Y254 HydrophobicContact CB-CD2 4.25Å; R234-Y254 CarbonylContact O-C 2.95Å; R234-Y254 WeakPolarHBondContact O-CA 3.25Å; R234-V255 PolarHBondContact O-N 3.38Å
235	M	98.5	Very high	98.1	Very high	3 Å²	3	33 Å²	33	2%	0.015	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	158	-179.3	67.2	-146	90.3	0	0	112.7	V210 V211 G237 V255 G359 T362 F378	V210-M235 HydrophobicContact CG1-CE 3.74Å; V211-M235 VanDerWaalsContact O-CE 3.28Å; V211-M235 WeakPolarHBondContact O-CE 3.5Å; M235-G237 PolarHBondContact O-N 2.91Å; M235-V255 WeakPolarHBondContact CA-O 3.33Å; M235-V255 HydrophobicContact CB-CB 4.19Å; M235-V255 VanDerWaalsContact CB-O 3.25Å; M235-V255 WeakPolarHBondContact CB-O 2.96Å; M235-G359 WeakPolarHBondContact SD-CA 3.03Å; M235-T362 HydrophobicContact CE-CG2 3.53Å; M235-T362 VanDerWaalsContact SD-CB 3.54Å; M235-T362 HydrophobicContact SD-CG2 4Å; M235-T362 PolarHBondContact SD-OG1 3.32Å; M235-F378 HydrophobicContact CE-CZ 3.98Å
236	N	96.9	Very high	98.1	Very high	38 Å²	38	29.9 Å²	29.9	20%	0.203	17%	0.166	C	C	.	.	S	Bend	trans	52	-135	174.5	-55.6	-26	0	0	0	112.5	A238 Y254 V255 S260 S264 Y273 N358	N236-A238 PolarHBondContact O-N 2.86Å; N236-Y254 WeakPolarHBondContact O-CE2 3.39Å; N236-Y254 PolarHBondContact O-OH 2.62Å; N236-V255 PolarHBondContact N-O 3.4Å; N236-S260 WeakPolarHBondContact OD1-CB 3Å; N236-S260 PolarHBondContact OD1-OG 2.97Å; N236-S264 VanDerWaalsContact C-OG 3.31Å; N236-Y273 PolarHBondContact O-OH 3.46Å; N236-N358 PolarHBondContact OD1-ND2 3.23Å
237	G	95.8	Very high	98.1	Very high	3 Å²	3	29.9 Å²	29.9	3%	0.031	17%	0.166	C	C	.	.	S	Bend	trans	-78.8	60.8	-179.5	0	0	0	0	0	113.1	M235 V239 S264	M235-G237 PolarHBondContact O-N 2.91Å; G237-V239 VanDerWaalsContact C-N 3.32Å; G237-V239 PolarHBondContact O-N 3.11Å; G237-S264 WeakPolarHBondContact CA-OG 3.37Å; G237-S264 PolarHBondContact N-OG 2.58Å
238	A	97.4	Very high	98.1	Very high	5 Å²	5	28.4 Å²	28.4	4%	0.041	16%	0.158	C	C	.	.			trans	-74.8	82.3	174.9	0	0	0	0	0	110.4	R234 N236 I240 Y254 Y273 P277 Y390	R234-A238 HydrophobicContact CB-CB 3.88Å; R234-A238 HydrophobicContact CG-CB 4.46Å; N236-A238 PolarHBondContact O-N 2.86Å; A238-I240 PolarHBondContact O-N 3.06Å; A238-Y254 HydrophobicContact CB-CE2 4.49Å; A238-Y273 WeakPolarHBondContact O-CE2 3.49Å; A238-P277 HydrophobicContact CB-CG 4.48Å; A238-Y390 WeakPolarHBondContact CA-OH 3.22Å
239	V	97.9	Very high	98.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.			trans	-70.1	121.8	174.2	-165.7	0	0	0	0	109.5	G237 Y243 F268 Y271 Y273 Y390 A391	G237-V239 VanDerWaalsContact C-N 3.32Å; G237-V239 PolarHBondContact O-N 3.11Å; V239-Y243 HydrophobicContact CB-CD2 4.35Å; V239-Y243 HydrophobicContact CB-CE2 4.5Å; V239-Y243 HydrophobicContact CG1-CD2 3.74Å; V239-Y243 HydrophobicContact CG1-CE2 3.68Å; V239-F268 HydrophobicContact CG2-CB 3.85Å; V239-F268 HydrophobicContact CG2-CD1 4.12Å; V239-F268 HydrophobicContact CG2-CG 4.13Å; V239-Y271 VanDerWaalsContact CG1-O 3.24Å; V239-Y271 WeakPolarHBondContact CG1-O 3.36Å; V239-Y273 HydrophobicContact CG2-CD2 4.1Å; V239-Y390 HydrophobicContact CB-CE2 4.13Å; V239-Y390 PolarHBondContact N-OH 3.4Å; V239-Y390 WeakPolarHBondContact O-CE2 3.42Å; V239-Y390 VanDerWaalsContact O-CZ 3.29Å; V239-Y390 PolarHBondContact O-OH 3.37Å; V239-A391 HydrophobicContact CB-CB 4.3Å; V239-A391 HydrophobicContact CG2-CB 3.87Å
240	I	98.3	Very high	98.1	Very high	30 Å²	30	32.5 Å²	32.5	15%	0.154	16%	0.163	C	C	.	.			trans	-110.8	-52	-178.1	-65.4	171	0	0	0	110.4	A238 G242 Y243 E244 N249 P277	A238-I240 PolarHBondContact O-N 3.06Å; I240-G242 PolarHBondContact O-N 3.29Å; I240-G242 VanDerWaalsContact O-N 3.16Å; I240-Y243 WeakPolarHBondContact O-CA 2.95Å; I240-Y243 PolarHBondContact O-N 2.01Å; I240-E244 HydrophobicContact CG2-CG 4.17Å; I240-E244 PolarHBondContact O-N 2.96Å; I240-N249 HydrophobicContact CG2-CB 4.37Å; I240-P277 HydrophobicContact CD1-CB 4.48Å; I240-P277 HydrophobicContact CD1-CG 4.29Å
241	E	96.9	Very high	98.2	Very high	104 Å²	104	31.6 Å²	31.6	49%	0.486	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	118.6	-176.1	-171.3	178	165.4	0	0	111.6	Y243 E244 K274	E241-Y243 VanDerWaalsContact O-CD2 3.31Å; E241-Y243 WeakPolarHBondContact O-CD2 3.47Å; E241-E244 VanDerWaalsContact CA-OE1 3.29Å; E241-E244 WeakPolarHBondContact CA-OE1 3.4Å; E241-K274 IonicContact OE1-NZ 3.68Å; E241-K274 PolarHBondContact OE1-NZ 3Å; E241-K274 VanDerWaalsContact OE2-CE 3.29Å; E241-K274 WeakPolarHBondContact OE2-CE 3.42Å; E241-K274 IonicContact OE2-NZ 3.54Å; E241-K274 PolarHBondContact OE2-NZ 3.16Å
242	G	97.1	Very high	98.2	Very high	38 Å²	38	30.5 Å²	30.5	39%	0.392	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	-1.6	-177	0	0	0	0	0	115.1	I240 E244 R393	I240-G242 PolarHBondContact O-N 3.29Å; I240-G242 VanDerWaalsContact O-N 3.16Å; G242-E244 WeakPolarHBondContact CA-OE2 3.44Å; G242-E244 VanDerWaalsContact N-CD 3.29Å; G242-E244 PolarHBondContact N-OE1 3.11Å; G242-E244 PolarHBondContact N-OE2 2.88Å; G242-R393 PolarHBondContact O-NH1 3.46Å; G242-R393 PolarHBondContact O-NH2 3.18Å
243	Y	98.3	Very high	98.2	Very high	20 Å²	20	30.5 Å²	30.5	8%	0.078	16%	0.158	C	C	.	.			trans	-120.3	8.8	-179	-61.5	-93.7	0	0	0	113.6	V239 I240 E241 E245 D246 V247 Y390 A391 R393	V239-Y243 HydrophobicContact CB-CD2 4.35Å; V239-Y243 HydrophobicContact CB-CE2 4.5Å; V239-Y243 HydrophobicContact CG1-CD2 3.74Å; V239-Y243 HydrophobicContact CG1-CE2 3.68Å; I240-Y243 WeakPolarHBondContact O-CA 2.95Å; I240-Y243 PolarHBondContact O-N 2.01Å; E241-Y243 VanDerWaalsContact O-CD2 3.31Å; E241-Y243 WeakPolarHBondContact O-CD2 3.47Å; Y243-E245 VanDerWaalsContact C-N 3.31Å; Y243-E245 PolarHBondContact O-N 3.15Å; Y243-D246 WeakPolarHBondContact O-CB 3.43Å; Y243-D246 PolarHBondContact O-N 3.11Å; Y243-V247 WeakPolarHBondContact O-CG2 3.47Å; Y243-V247 PolarHBondContact O-N 3.16Å; Y243-Y390 AromaticContact CD1-CD2 3.88Å; Y243-Y390 HydrophobicContact CD1-CD2 3.88Å; Y243-Y390 HydrophobicContact CD1-CE2 4.23Å; Y243-Y390 HydrophobicContact CE1-CD2 4.44Å; Y243-Y390 HydrophobicContact CG-CD2 4.27Å; Y243-Y390 HydrophobicContact CG-CE2 4.16Å; Y243-A391 VanDerWaalsContact CE1-CA 3.5Å; Y243-A391 HydrophobicContact CE1-CB 4.41Å; Y243-A391 PolarHBondContact OH-O 2.9Å; Y243-R393 HydrophobicContact CD1-CG 4.47Å; Y243-R393 HydrophobicContact CE1-CG 3.55Å; Y243-R393 VanDerWaalsContact CE1-NE 3.35Å
244	E	98.6	Very high	98.2	Very high	76 Å²	76	30.5 Å²	30.5	36%	0.355	16%	0.158	S	C	.	.	H	α-helix	trans	-60.8	-36.1	-168.8	-59	85.5	167.5	0	0	112.8	I240 E241 G242 D246 G248 N249	I240-E244 HydrophobicContact CG2-CG 4.17Å; I240-E244 PolarHBondContact O-N 2.96Å; E241-E244 VanDerWaalsContact CA-OE1 3.29Å; E241-E244 WeakPolarHBondContact CA-OE1 3.4Å; G242-E244 WeakPolarHBondContact CA-OE2 3.44Å; G242-E244 VanDerWaalsContact N-CD 3.29Å; G242-E244 PolarHBondContact N-OE1 3.11Å; G242-E244 PolarHBondContact N-OE2 2.88Å; E244-D246 PolarHBondContact O-N 3.5Å; E244-G248 VanDerWaalsContact O-CA 3.24Å; E244-G248 WeakPolarHBondContact O-CA 3.26Å; E244-G248 PolarHBondContact O-N 3Å; E244-N249 HydrophobicContact CB-CB 4.49Å; E244-N249 HydrophobicContact CG-CB 4.07Å
245	E	98.6	Very high	98.2	Very high	116 Å²	116	30.5 Å²	30.5	54%	0.542	16%	0.158	S	C	.	.	H	α-helix	trans	-58.3	-35.8	175.6	-167.7	-177.1	-171.6	0	0	111.3	K221 M222 G223 Y243	K221-E245 CarbonylContact C-O 3.55Å; K221-E245 WeakPolarHBondContact CA-O 3.47Å; K221-E245 HydrophobicContact CB-CG 4.39Å; K221-E245 WeakPolarHBondContact CD-OE1 3.34Å; K221-E245 VanDerWaalsContact CE-OE1 3.27Å; K221-E245 WeakPolarHBondContact CE-OE1 3.46Å; K221-E245 HydrophobicContact CG-CG 4.18Å; K221-E245 IonicContact NZ-OE1 2.73Å; K221-E245 PolarHBondContact NZ-OE1 3.47Å; M222-E245 PolarHBondContact N-O 3.02Å; G223-E245 WeakPolarHBondContact CA-O 3.36Å; G223-E245 PolarHBondContact N-O 2.72Å; Y243-E245 VanDerWaalsContact C-N 3.31Å; Y243-E245 PolarHBondContact O-N 3.15Å
246	D	98.8	Very high	98.2	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-88.7	-40	-176.9	-73.7	-36.8	0	0	0	113.3	L217 G219 S220 K221 G223 Y243 E244 R393	L217-D246 VanDerWaalsContact O-CB 3.24Å; L217-D246 WeakPolarHBondContact O-CB 3.41Å; G219-D246 WeakPolarHBondContact CA-OD1 3.3Å; G219-D246 PolarHBondContact N-OD1 3.18Å; G219-D246 PolarHBondContact N-OD2 2.7Å; S220-D246 PolarHBondContact N-OD1 3.23Å; S220-D246 PolarHBondContact OG-O 3.31Å; K221-D246 PolarHBondContact N-OD1 2.97Å; G223-D246 PolarHBondContact N-O 3.08Å; Y243-D246 WeakPolarHBondContact O-CB 3.43Å; Y243-D246 PolarHBondContact O-N 3.11Å; E244-D246 PolarHBondContact O-N 3.5Å; D246-R393 IonicContact OD2-NH2 3.91Å
247	V	98.8	Very high	98.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-119.1	-3.2	-167.1	-49.7	0	0	0	0	114.1	L217 R234 Y243 Y390	L217-V247 HydrophobicContact CB-CG1 4.08Å; L217-V247 HydrophobicContact CD1-CG1 3.96Å; R234-V247 VanDerWaalsContact CZ-O 3.23Å; R234-V247 PolarHBondContact NH1-O 2.9Å; R234-V247 PolarHBondContact NH2-O 3.04Å; Y243-V247 WeakPolarHBondContact O-CG2 3.47Å; Y243-V247 PolarHBondContact O-N 3.16Å; V247-Y390 HydrophobicContact CG1-CD1 4.14Å; V247-Y390 HydrophobicContact CG1-CD2 3.94Å; V247-Y390 HydrophobicContact CG1-CE1 4.02Å; V247-Y390 HydrophobicContact CG1-CE2 3.85Å; V247-Y390 HydrophobicContact CG1-CG 4.12Å; V247-Y390 HydrophobicContact CG2-CE2 4.45Å
248	G	98.7	Very high	98.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.147	C	C	.	.			trans	74.9	175.8	-175.3	0	0	0	0	0	112.1	D227 R234 E244	D227-G248 WeakPolarHBondContact OD2-CA 3.42Å; R234-G248 PolarHBondContact NH2-O 3.22Å; E244-G248 VanDerWaalsContact O-CA 3.24Å; E244-G248 WeakPolarHBondContact O-CA 3.26Å; E244-G248 PolarHBondContact O-N 3Å
249	N	98.3	Very high	98.3	Very high	96 Å²	96	32.5 Å²	32.5	51%	0.513	16%	0.163	S	C	.	.	S	Bend	trans	-118.1	-6	-178.4	69.7	18.4	0	0	0	114.4	D227 I240 E244	D227-N249 PolarHBondContact OD1-N 2.9Å; D227-N249 PolarHBondContact OD2-N 3.16Å; D227-N249 PolarHBondContact OD2-OD1 2.8Å; I240-N249 HydrophobicContact CG2-CB 4.37Å; E244-N249 HydrophobicContact CB-CB 4.49Å; E244-N249 HydrophobicContact CG-CB 4.07Å
250	R	98.4	Very high	98.2	Very high	84 Å²	84	32.9 Å²	32.9	32%	0.317	17%	0.166	S	C	.	.			trans	-89.8	144.8	-180	-62.9	175.6	60.6	-146.3	-10.8	112.2	D227 H229 D230 V232 R234	D227-R250 HydrophobicContact CB-CG 4.35Å; D227-R250 PolarHBondContact O-NH1 2.68Å; D227-R250 WeakPolarHBondContact OD1-CB 3.34Å; D227-R250 PolarHBondContact OD1-N 2.91Å; H229-R250 PolarHBondContact O-NH1 2.94Å; D230-R250 PolarHBondContact O-NH2 3.17Å; V232-R250 WeakPolarHBondContact CG1-O 3.39Å; V232-R250 HydrophobicContact CG2-CB 4.15Å; R234-R250 PolarHBondContact NE-O 2.93Å; R234-R250 PolarHBondContact NH2-O 3.2Å
251	T	98.8	Very high	98.2	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.012	16%	0.159	C	C	.	.			trans	-140.4	116.8	166	-47.7	0	0	0	0	111.3	R234 P277 D279 I282	R234-T251 HydrophobicContact CB-CG2 3.93Å; R234-T251 WeakPolarHBondContact CD-OG1 3.48Å; R234-T251 HydrophobicContact CG-CG2 3.9Å; R234-T251 PolarHBondContact NE-OG1 3.04Å; R234-T251 VanDerWaalsContact NE-OG1 3.1Å; T251-P277 HydrophobicContact CG2-CB 3.68Å; T251-P277 HydrophobicContact CG2-CG 4.15Å; T251-P277 WeakPolarHBondContact OG1-CB 3.27Å; T251-D279 WeakPolarHBondContact CB-OD2 3.39Å; T251-D279 PolarHBondContact N-OD1 2.97Å; T251-D279 WeakPolarHBondContact O-CB 3.49Å; T251-D279 VanDerWaalsContact O-CG 3.26Å; T251-I282 HydrophobicContact CG2-CD1 3.91Å
252	S	98.7	Very high	98.1	Very high	22 Å²	22	28.2 Å²	28.2	15%	0.154	15%	0.147	C	C	.	.	S	Bend	trans	-96.1	-36.8	176.5	-45	0	0	0	0	112.7	Y231 V232 K283	Y231-S252 WeakPolarHBondContact CA-OG 3.27Å; V232-S252 PolarHBondContact N-OG 3.21Å; V232-S252 VanDerWaalsContact N-OG 3.16Å; V232-S252 PolarHBondContact O-N 3.18Å; S252-K283 PolarHBondContact O-N 3.33Å
253	V	98.9	Very high	98.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	126	-179.4	-173.8	0	0	0	0	109.3	L195 L196 V232 F233 R234 V255 K283 V285	L195-V253 HydrophobicContact CD1-CG1 4.24Å; L195-V253 HydrophobicContact CD1-CG2 4.19Å; L196-V253 HydrophobicContact CD2-CG2 3.94Å; V232-V253 PolarHBondContact O-N 3.47Å; F233-V253 CarbonylContact C-O 3.56Å; F233-V253 WeakPolarHBondContact CA-O 3.47Å; F233-V253 HydrophobicContact CD1-CB 3.55Å; F233-V253 HydrophobicContact CD1-CG1 3.67Å; F233-V253 HydrophobicContact CD1-CG2 4.05Å; F233-V253 HydrophobicContact CD2-CB 4.48Å; F233-V253 HydrophobicContact CD2-CG2 4.49Å; F233-V253 HydrophobicContact CE1-CB 3.68Å; F233-V253 HydrophobicContact CE1-CG1 3.68Å; F233-V253 HydrophobicContact CE1-CG2 3.69Å; F233-V253 HydrophobicContact CE2-CG2 4.15Å; F233-V253 HydrophobicContact CG-CB 3.98Å; F233-V253 HydrophobicContact CG-CG2 4.43Å; F233-V253 HydrophobicContact CZ-CB 4.2Å; F233-V253 HydrophobicContact CZ-CG2 3.74Å; R234-V253 PolarHBondContact N-O 3.06Å; V253-V255 HydrophobicContact CG1-CG2 4.3Å; V253-K283 CarbonylContact C-O 3.47Å; V253-K283 VanDerWaalsContact CA-O 3.3Å; V253-K283 WeakPolarHBondContact CA-O 3.2Å; V253-K283 HydrophobicContact CG1-CB 4.49Å; V253-K283 HydrophobicContact CG2-CB 4.22Å; V253-V285 HydrophobicContact CG1-CG2 3.57Å
254	Y	98.9	Very high	98	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	115.6	175	-179.4	-108.1	0	0	0	111	R234 N236 A238 H256 I261 Y273 A276 P277 K283 Y284 V285	R234-Y254 HydrophobicContact CB-CD2 4.25Å; R234-Y254 CarbonylContact O-C 2.95Å; R234-Y254 WeakPolarHBondContact O-CA 3.25Å; N236-Y254 WeakPolarHBondContact O-CE2 3.39Å; N236-Y254 PolarHBondContact O-OH 2.62Å; A238-Y254 HydrophobicContact CB-CE2 4.49Å; Y254-H256 HydrophobicContact CD1-CB 4.21Å; Y254-H256 AromaticContact CD1-CD2 3.9Å; Y254-H256 HydrophobicContact CE1-CB 3.63Å; Y254-H256 AromaticContact CE1-CD2 3.96Å; Y254-H256 AromaticContact CE1-CG 3.95Å; Y254-I261 HydrophobicContact CE1-CD1 4.15Å; Y254-I261 HydrophobicContact CE1-CG1 4.16Å; Y254-Y273 PolarHBondContact OH-OH 2.91Å; Y254-Y273 VanDerWaalsContact OH-OH 3.11Å; Y254-A276 HydrophobicContact CD1-CB 4.11Å; Y254-A276 HydrophobicContact CE1-CB 3.7Å; Y254-P277 HydrophobicContact CD2-CG 3.73Å; Y254-P277 HydrophobicContact CE2-CG 4.06Å; Y254-P277 HydrophobicContact CG-CG 4.33Å; Y254-K283 PolarHBondContact N-O 3.46Å; Y254-Y284 AromaticContact CD1-CD1 3.87Å; Y254-Y284 HydrophobicContact CD1-CD1 3.87Å; Y254-Y284 HydrophobicContact CD1-CE1 4.01Å; Y254-Y284 HydrophobicContact CG-CD1 4.42Å; Y254-Y284 HydrophobicContact CG-CE1 4.49Å; Y254-V285 PolarHBondContact O-N 2.91Å
255	V	98.9	Very high	97.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	128.4	-178.3	-170.7	0	0	0	0	110.6	R234 M235 N236 V253 V285 I287 T362	R234-V255 PolarHBondContact O-N 3.38Å; M235-V255 WeakPolarHBondContact CA-O 3.33Å; M235-V255 HydrophobicContact CB-CB 4.19Å; M235-V255 VanDerWaalsContact CB-O 3.25Å; M235-V255 WeakPolarHBondContact CB-O 2.96Å; N236-V255 PolarHBondContact N-O 3.4Å; V253-V255 HydrophobicContact CG1-CG2 4.3Å; V255-V285 CarbonylContact C-O 3.54Å; V255-V285 VanDerWaalsContact CA-O 3.27Å; V255-V285 WeakPolarHBondContact CA-O 3.42Å; V255-V285 HydrophobicContact CG1-CB 4.47Å; V255-V285 HydrophobicContact CG1-CG1 4.46Å; V255-V285 HydrophobicContact CG2-CB 4.12Å; V255-I287 HydrophobicContact CG1-CD1 3.86Å; V255-I287 HydrophobicContact CG1-CG1 4.03Å; V255-T362 HydrophobicContact CB-CG2 4.22Å; V255-T362 VanDerWaalsContact CB-OG1 3.29Å; V255-T362 WeakPolarHBondContact CB-OG1 3.34Å; V255-T362 WeakPolarHBondContact CG1-OG1 3.5Å; V255-T362 HydrophobicContact CG2-CG2 3.59Å
256	H	98.6	Very high	97.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	168.4	-176.4	75.5	87.6	0	0	0	113.4	Y254 I261 V285 M286 I287 Y316	Y254-H256 HydrophobicContact CD1-CB 4.21Å; Y254-H256 AromaticContact CD1-CD2 3.9Å; Y254-H256 HydrophobicContact CE1-CB 3.63Å; Y254-H256 AromaticContact CE1-CD2 3.96Å; Y254-H256 AromaticContact CE1-CG 3.95Å; H256-I261 HydrophobicContact CB-CB 4.14Å; H256-V285 PolarHBondContact N-O 3.13Å; H256-M286 CarbonylContact O-C 3.59Å; H256-M286 VanDerWaalsContact O-CA 3.31Å; H256-M286 WeakPolarHBondContact O-CA 3.17Å; H256-I287 PolarHBondContact O-N 3.23Å; H256-Y316 AromaticContact CE1-CZ 3.87Å; H256-Y316 PolarHBondContact CE1-OH 3.36Å; H256-Y316 AromaticContact NE2-CE1 3.49Å; H256-Y316 WeakPolarHBondContact NE2-CE1 3.3Å; H256-Y316 AromaticContact NE2-CZ 3.67Å; H256-Y316 PolarHBondContact NE2-OH 3.48Å
257	T	98.6	Very high	97.4	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	16%	0.16	C	C	.	.			trans	-111.4	169	162.1	74.5	0	0	0	0	107.8	F259 S260 I261 I287 E289	T257-F259 PolarHBondContact O-N 3.28Å; T257-F259 PolarHBondContact OG1-N 2.99Å; T257-S260 PolarHBondContact N-OG 2.71Å; T257-S260 PolarHBondContact O-N 2.86Å; T257-S260 PolarHBondContact OG1-N 2.91Å; T257-I261 VanDerWaalsContact O-CG2 3.29Å; T257-I261 WeakPolarHBondContact O-CG2 3.48Å; T257-I261 PolarHBondContact O-N 2.87Å; T257-I261 VanDerWaalsContact O-N 3.1Å; T257-I287 HydrophobicContact CG2-CB 3.83Å; T257-I287 HydrophobicContact CG2-CD1 4.44Å; T257-I287 HydrophobicContact CG2-CG2 4.44Å; T257-E289 WeakPolarHBondContact CB-OE2 3.47Å; T257-E289 HydrophobicContact CG2-CG 3.67Å; T257-E289 VanDerWaalsContact CG2-OE2 3.24Å; T257-E289 WeakPolarHBondContact CG2-OE2 3.24Å; T257-E289 PolarHBondContact OG1-OE2 3.36Å
258	S	97.1	Very high	97.3	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.007	16%	0.162	C	C	.	.	H	α-helix	trans	-59.7	-31.5	171.5	59	0	0	0	0	112	S262 R292 D293	S258-S262 WeakPolarHBondContact O-CB 3.29Å; S258-S262 PolarHBondContact O-OG 3.39Å; S258-R292 WeakPolarHBondContact OG-CG 3.29Å; S258-R292 PolarHBondContact OG-NE 3.09Å; S258-D293 VanDerWaalsContact CB-OD1 3.24Å; S258-D293 WeakPolarHBondContact CB-OD1 3.43Å; S258-D293 PolarHBondContact N-OD1 2.98Å; S258-D293 PolarHBondContact OG-OD1 2.79Å; S258-D293 PolarHBondContact OG-OD2 3.36Å
259	F	96.7	Very high	97.2	Very high	89 Å²	89	41.1 Å²	41.1	39%	0.39	19%	0.194	S	C	.	.	H	α-helix	trans	-74.3	-50.2	174.3	177.5	-100.8	0	0	0	112.1	W42 T257 I261 S262 S263	W42-F259 HydrophobicContact CH2-CE2 4.46Å; T257-F259 PolarHBondContact O-N 3.28Å; T257-F259 PolarHBondContact OG1-N 2.99Å; F259-I261 VanDerWaalsContact C-N 3.32Å; F259-I261 PolarHBondContact O-N 3.06Å; F259-S262 PolarHBondContact O-N 2.83Å; F259-S262 PolarHBondContact O-OG 3.47Å; F259-S262 VanDerWaalsContact O-OG 3.07Å; F259-S263 VanDerWaalsContact O-CB 3.28Å; F259-S263 WeakPolarHBondContact O-CB 3.42Å; F259-S263 PolarHBondContact O-N 2.84Å; F259-S263 PolarHBondContact O-OG 3Å
260	S	97.3	Very high	97	Very high	7 Å²	7	43.7 Å²	43.7	5%	0.049	20%	0.201	C	C	.	.	H	α-helix	trans	-65.5	-37.2	-174.1	72.4	0	0	0	0	112.2	N236 T257 S262 S264	N236-S260 WeakPolarHBondContact OD1-CB 3Å; N236-S260 PolarHBondContact OD1-OG 2.97Å; T257-S260 PolarHBondContact N-OG 2.71Å; T257-S260 PolarHBondContact O-N 2.86Å; T257-S260 PolarHBondContact OG1-N 2.91Å; S260-S262 VanDerWaalsContact C-N 3.35Å; S260-S262 PolarHBondContact O-N 2.99Å; S260-S264 WeakPolarHBondContact O-CB 3.25Å; S260-S264 PolarHBondContact O-N 2.8Å; S260-S264 PolarHBondContact O-OG 2.91Å
261	I	96.9	Very high	96.9	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-66.8	-36.4	177.6	-161.3	172.7	0	0	0	112.2	Y254 H256 T257 F259 A276 W296 Y315 Y316	Y254-I261 HydrophobicContact CE1-CD1 4.15Å; Y254-I261 HydrophobicContact CE1-CG1 4.16Å; H256-I261 HydrophobicContact CB-CB 4.14Å; T257-I261 VanDerWaalsContact O-CG2 3.29Å; T257-I261 WeakPolarHBondContact O-CG2 3.48Å; T257-I261 PolarHBondContact O-N 2.87Å; T257-I261 VanDerWaalsContact O-N 3.1Å; F259-I261 VanDerWaalsContact C-N 3.32Å; F259-I261 PolarHBondContact O-N 3.06Å; I261-A276 HydrophobicContact CD1-CB 4.08Å; I261-A276 HydrophobicContact CG1-CB 4.19Å; I261-W296 HydrophobicContact CG2-CH2 3.72Å; I261-W296 HydrophobicContact CG2-CZ2 3.59Å; I261-Y315 HydrophobicContact CG1-CD1 4.48Å; I261-Y316 HydrophobicContact CD1-CD1 4.3Å; I261-Y316 HydrophobicContact CD1-CE1 3.89Å; I261-Y316 HydrophobicContact CD1-CE2 4.42Å
262	S	95.4	Very high	96.7	Very high	36 Å²	36	42.5 Å²	42.5	25%	0.252	21%	0.205	S	C	.	.	H	α-helix	trans	-82.1	-43	-179.5	57.6	0	0	0	0	113.2	S258 F259 S260 S264 L265	S258-S262 WeakPolarHBondContact O-CB 3.29Å; S258-S262 PolarHBondContact O-OG 3.39Å; F259-S262 PolarHBondContact O-N 2.83Å; F259-S262 PolarHBondContact O-OG 3.47Å; F259-S262 VanDerWaalsContact O-OG 3.07Å; S260-S262 VanDerWaalsContact C-N 3.35Å; S260-S262 PolarHBondContact O-N 2.99Å; S262-S264 VanDerWaalsContact C-N 3.32Å; S262-S264 PolarHBondContact O-N 3.03Å; S262-L265 PolarHBondContact O-N 3.42Å
263	S	96.4	Very high	96.6	Very high	22 Å²	22	41.9 Å²	41.9	15%	0.154	20%	0.199	C	C	.	.	H	α-helix	trans	-67.8	-33.8	178.4	71.2	0	0	0	0	111.9	F259 L265 Y266 I267	F259-S263 VanDerWaalsContact O-CB 3.28Å; F259-S263 WeakPolarHBondContact O-CB 3.42Å; F259-S263 PolarHBondContact O-N 2.84Å; F259-S263 PolarHBondContact O-OG 3Å; S263-L265 VanDerWaalsContact C-N 3.27Å; S263-L265 PolarHBondContact O-N 3.1Å; S263-Y266 PolarHBondContact O-N 3.46Å; S263-I267 WeakPolarHBondContact O-CB 3.1Å; S263-I267 VanDerWaalsContact O-CG1 3.31Å; S263-I267 WeakPolarHBondContact O-CG1 3.17Å; S263-I267 PolarHBondContact O-N 3.48Å
264	S	96.9	Very high	96.4	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-38.2	179.8	-64.4	0	0	0	0	111.8	N236 G237 S260 S262 Y266 I267 F268	N236-S264 VanDerWaalsContact C-OG 3.31Å; G237-S264 WeakPolarHBondContact CA-OG 3.37Å; G237-S264 PolarHBondContact N-OG 2.58Å; S260-S264 WeakPolarHBondContact O-CB 3.25Å; S260-S264 PolarHBondContact O-N 2.8Å; S260-S264 PolarHBondContact O-OG 2.91Å; S262-S264 VanDerWaalsContact C-N 3.32Å; S262-S264 PolarHBondContact O-N 3.03Å; S264-Y266 VanDerWaalsContact C-N 3.25Å; S264-Y266 PolarHBondContact O-N 2.93Å; S264-I267 PolarHBondContact O-N 2.86Å; S264-F268 WeakPolarHBondContact O-CB 3.2Å; S264-F268 PolarHBondContact O-N 3.33Å
265	L	95	Very high	96.1	Very high	58 Å²	58	50 Å²	50	30%	0.304	24%	0.238	S	C	.	.	H	α-helix	trans	-58.7	-37.9	173.9	-177.7	60.8	0	0	0	112.1	S262 S263 K269 Y273 K274 Y315	S262-L265 PolarHBondContact O-N 3.42Å; S263-L265 VanDerWaalsContact C-N 3.27Å; S263-L265 PolarHBondContact O-N 3.1Å; L265-K269 VanDerWaalsContact O-CB 3.31Å; L265-K269 WeakPolarHBondContact O-CB 3.34Å; L265-Y273 HydrophobicContact CD1-CD1 4.48Å; L265-K274 WeakPolarHBondContact CD1-O 3.3Å; L265-Y315 HydrophobicContact CD2-CE1 4.03Å
266	Y	94.4	Very high	96	Very high	202 Å²	202	50.1 Å²	50.1	79%	0.792	24%	0.24	S	C	*	.	H	α-helix	trans	-78.5	-48.9	178.8	179.3	-97.5	0	0	0	112.4	S263 S264	S263-Y266 PolarHBondContact O-N 3.46Å; S264-Y266 VanDerWaalsContact C-N 3.25Å; S264-Y266 PolarHBondContact O-N 2.93Å
267	I	94.8	Very high	96	Very high	76 Å²	76	50.5 Å²	50.5	39%	0.39	24%	0.242	S	C	.	.	H	α-helix	trans	-68.8	-42.7	-172.7	-65.9	167.9	0	0	0	111.1	S263 S264	S263-I267 WeakPolarHBondContact O-CB 3.1Å; S263-I267 VanDerWaalsContact O-CG1 3.31Å; S263-I267 WeakPolarHBondContact O-CG1 3.17Å; S263-I267 PolarHBondContact O-N 3.48Å; S264-I267 PolarHBondContact O-N 2.86Å
268	F	96.6	Very high	95.9	Very high	8 Å²	8	54.8 Å²	54.8	4%	0.035	26%	0.261	C	S	.	.	S	Bend	trans	-101.2	3.5	-171.8	-58.8	-77.7	0	0	0	114.1	V239 S264 K270 Y271 G272 Y273 Y389	V239-F268 HydrophobicContact CG2-CB 3.85Å; V239-F268 HydrophobicContact CG2-CD1 4.12Å; V239-F268 HydrophobicContact CG2-CG 4.13Å; S264-F268 WeakPolarHBondContact O-CB 3.2Å; S264-F268 PolarHBondContact O-N 3.33Å; F268-K270 PolarHBondContact O-N 3.07Å; F268-Y271 HydrophobicContact CB-CD2 4.4Å; F268-Y271 AromaticContact CD1-CD2 3.79Å; F268-Y271 HydrophobicContact CD1-CD2 3.79Å; F268-Y271 HydrophobicContact CD1-CE2 4.24Å; F268-Y271 WeakPolarHBondContact O-CA 3.4Å; F268-Y271 PolarHBondContact O-N 3.46Å; F268-G272 PolarHBondContact O-N 3.38Å; F268-Y273 HydrophobicContact CB-CG 4.08Å; F268-Y273 WeakPolarHBondContact O-CB 3.46Å; F268-Y273 PolarHBondContact O-N 3.09Å; F268-Y273 VanDerWaalsContact O-N 3.13Å; F268-Y389 AromaticContact CE1-CD1 3.97Å; F268-Y389 HydrophobicContact CE1-CD1 3.97Å; F268-Y389 AromaticContact CE1-CD2 3.78Å; F268-Y389 HydrophobicContact CE1-CD2 3.78Å; F268-Y389 HydrophobicContact CE1-CE1 4.3Å; F268-Y389 HydrophobicContact CE1-CE2 4.12Å; F268-Y389 AromaticContact CE1-CG 3.68Å; F268-Y389 HydrophobicContact CE1-CG 3.68Å; F268-Y389 AromaticContact CZ-CD1 3.82Å; F268-Y389 HydrophobicContact CZ-CD1 3.82Å; F268-Y389 HydrophobicContact CZ-CD2 4Å; F268-Y389 AromaticContact CZ-CE1 3.71Å; F268-Y389 HydrophobicContact CZ-CE1 3.71Å; F268-Y389 AromaticContact CZ-CE2 3.89Å; F268-Y389 HydrophobicContact CZ-CE2 3.89Å; F268-Y389 AromaticContact CZ-CG 3.95Å; F268-Y389 HydrophobicContact CZ-CG 3.95Å; F268-Y389 AromaticContact CZ-CZ 3.74Å
269	K	95.8	Very high	96	Very high	156 Å²	156	57.1 Å²	57.1	68%	0.678	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-51.1	-44.5	175.2	-168.1	172.3	178.2	178.9	0	112.4	L265 Y271 G272	L265-K269 VanDerWaalsContact O-CB 3.31Å; L265-K269 WeakPolarHBondContact O-CB 3.34Å; K269-Y271 PolarHBondContact O-N 2.7Å; K269-Y271 VanDerWaalsContact O-N 3.17Å; K269-G272 PolarHBondContact O-N 2.78Å
270	K	94.8	Very high	95.9	Very high	150 Å²	150	61.8 Å²	61.8	65%	0.652	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-65	-15.1	-180	64.7	177.3	175.1	160.9	0	113.9	F268	F268-K270 PolarHBondContact O-N 3.07Å
271	Y	96.1	Very high	95.8	Very high	33 Å²	33	62.9 Å²	62.9	13%	0.129	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-104.1	9	176.1	-54.9	-66.9	0	0	0	112.7	V239 F268 K269 A391 E392	V239-Y271 VanDerWaalsContact CG1-O 3.24Å; V239-Y271 WeakPolarHBondContact CG1-O 3.36Å; F268-Y271 HydrophobicContact CB-CD2 4.4Å; F268-Y271 AromaticContact CD1-CD2 3.79Å; F268-Y271 HydrophobicContact CD1-CD2 3.79Å; F268-Y271 HydrophobicContact CD1-CE2 4.24Å; F268-Y271 WeakPolarHBondContact O-CA 3.4Å; F268-Y271 PolarHBondContact O-N 3.46Å; K269-Y271 PolarHBondContact O-N 2.7Å; K269-Y271 VanDerWaalsContact O-N 3.17Å; Y271-A391 HydrophobicContact CD1-CB 4.34Å; Y271-A391 WeakPolarHBondContact CD1-O 3.48Å; Y271-A391 HydrophobicContact CD2-CB 4.08Å; Y271-A391 WeakPolarHBondContact CE1-O 3.47Å; Y271-A391 HydrophobicContact CG-CB 3.86Å; Y271-E392 HydrophobicContact CE1-CG 4.22Å; Y271-E392 HydrophobicContact CE2-CG 4.2Å; Y271-E392 WeakPolarHBondContact OH-CG 3.44Å
272	G	94.6	Very high	95.9	Very high	28 Å²	28	63 Å²	63	29%	0.289	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.2	3.4	178.8	0	0	0	0	0	115	F268 K269 K274	F268-G272 PolarHBondContact O-N 3.38Å; K269-G272 PolarHBondContact O-N 2.78Å; G272-K274 PolarHBondContact O-N 2.87Å; G272-K274 VanDerWaalsContact O-N 3.09Å
273	Y	96.4	Very high	96	Very high	8 Å²	8	62.3 Å²	62.3	3%	0.031	30%	0.302	C	S	.	.			trans	-71.7	106.9	176.3	-165.4	-85.3	0	0	0	111.1	N236 A238 V239 Y254 L265 F268 S275 A276	N236-Y273 PolarHBondContact O-OH 3.46Å; A238-Y273 WeakPolarHBondContact O-CE2 3.49Å; V239-Y273 HydrophobicContact CG2-CD2 4.1Å; Y254-Y273 PolarHBondContact OH-OH 2.91Å; Y254-Y273 VanDerWaalsContact OH-OH 3.11Å; L265-Y273 HydrophobicContact CD1-CD1 4.48Å; F268-Y273 HydrophobicContact CB-CG 4.08Å; F268-Y273 WeakPolarHBondContact O-CB 3.46Å; F268-Y273 PolarHBondContact O-N 3.09Å; F268-Y273 VanDerWaalsContact O-N 3.13Å; Y273-S275 VanDerWaalsContact CE1-O 3.3Å; Y273-S275 WeakPolarHBondContact CE1-O 3.13Å; Y273-A276 WeakPolarHBondContact OH-CA 3.31Å
274	K	93.4	Very high	96.1	Very high	142 Å²	142	61.3 Å²	61.3	62%	0.617	30%	0.295	S	S	*	.			trans	-96.2	-33	-178.8	-67.1	170	-173.9	159.7	0	113.4	E241 L265 G272	E241-K274 IonicContact OE1-NZ 3.68Å; E241-K274 PolarHBondContact OE1-NZ 3Å; E241-K274 VanDerWaalsContact OE2-CE 3.29Å; E241-K274 WeakPolarHBondContact OE2-CE 3.42Å; E241-K274 IonicContact OE2-NZ 3.54Å; E241-K274 PolarHBondContact OE2-NZ 3.16Å; L265-K274 WeakPolarHBondContact CD1-O 3.3Å; G272-K274 PolarHBondContact O-N 2.87Å; G272-K274 VanDerWaalsContact O-N 3.09Å
275	S	94.4	Very high	96.2	Very high	29 Å²	29	61.1 Å²	61.1	20%	0.203	29%	0.294	C	S	.	.	S	Bend	trans	-162.4	173.9	-178.6	65.6	0	0	0	0	110.3	Y273 H278 S317	Y273-S275 VanDerWaalsContact CE1-O 3.3Å; Y273-S275 WeakPolarHBondContact CE1-O 3.13Å; S275-H278 PolarHBondContact OG-ND1 3.28Å; S275-S317 WeakPolarHBondContact CB-OG 3.31Å; S275-S317 PolarHBondContact OG-OG 3.31Å
276	A	96.5	Very high	96.4	Very high	3 Å²	3	58.4 Å²	58.4	3%	0.025	28%	0.28	C	S	.	.	S	Bend	trans	-57.8	154.6	163.7	0	0	0	0	0	111.1	Y254 I261 Y273 H278 Y315	Y254-A276 HydrophobicContact CD1-CB 4.11Å; Y254-A276 HydrophobicContact CE1-CB 3.7Å; I261-A276 HydrophobicContact CD1-CB 4.08Å; I261-A276 HydrophobicContact CG1-CB 4.19Å; Y273-A276 WeakPolarHBondContact OH-CA 3.31Å; A276-H278 PolarHBondContact O-ND1 3.07Å; A276-Y315 VanDerWaalsContact CB-O 3.31Å; A276-Y315 WeakPolarHBondContact CB-O 3.47Å
277	P	97.8	Very high	96.6	Very high	7 Å²	7	48.8 Å²	48.8	5%	0.045	24%	0.242	C	C	.	.			trans	-52.6	142	167.2	-24.8	34.9	0	0	0	110.6	A238 I240 T251 Y254 I282 Y284	A238-P277 HydrophobicContact CB-CG 4.48Å; I240-P277 HydrophobicContact CD1-CB 4.48Å; I240-P277 HydrophobicContact CD1-CG 4.29Å; T251-P277 HydrophobicContact CG2-CB 3.68Å; T251-P277 HydrophobicContact CG2-CG 4.15Å; T251-P277 WeakPolarHBondContact OG1-CB 3.27Å; Y254-P277 HydrophobicContact CD2-CG 3.73Å; Y254-P277 HydrophobicContact CE2-CG 4.06Å; Y254-P277 HydrophobicContact CG-CG 4.33Å; P277-I282 HydrophobicContact CB-CD1 3.94Å; P277-I282 VanDerWaalsContact O-CD1 3.27Å; P277-I282 WeakPolarHBondContact O-CD1 3.29Å; P277-Y284 PolarHBondContact O-OH 3.47Å
278	H	97.3	Very high	96.7	Very high	91 Å²	91	45.2 Å²	45.2	42%	0.421	22%	0.224	S	C	.	.			trans	-149.7	35.1	-167.1	57	-85.9	0	0	0	112	S275 A276 Q319	S275-H278 PolarHBondContact OG-ND1 3.28Å; A276-H278 PolarHBondContact O-ND1 3.07Å; H278-Q319 HydrophobicContact CB-CB 4.48Å; H278-Q319 HydrophobicContact CB-CG 3.83Å; H278-Q319 VanDerWaalsContact O-CG 3.3Å; H278-Q319 WeakPolarHBondContact O-CG 3.33Å
279	D	97.8	Very high	96.6	Very high	50 Å²	50	46.9 Å²	46.9	27%	0.267	23%	0.232	S	C	.	.			trans	-53.1	150	171.3	-55.5	-135.2	0	0	0	110.8	T251 G281 I282	T251-D279 WeakPolarHBondContact CB-OD2 3.39Å; T251-D279 PolarHBondContact N-OD1 2.97Å; T251-D279 WeakPolarHBondContact O-CB 3.49Å; T251-D279 VanDerWaalsContact O-CG 3.26Å; D279-G281 PolarHBondContact O-N 3.01Å; D279-I282 VanDerWaalsContact O-CB 3.26Å; D279-I282 WeakPolarHBondContact O-CB 3.31Å; D279-I282 VanDerWaalsContact O-CG2 3.25Å; D279-I282 WeakPolarHBondContact O-CG2 3.29Å; D279-I282 PolarHBondContact O-N 3.46Å
280	E	95.5	Very high	96.6	Very high	188 Å²	188	40 Å²	40	88%	0.879	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	133.5	173.6	-171.6	179.3	178.4	0	0	110.2	I282	E280-I282 VanDerWaalsContact C-N 3.29Å; E280-I282 PolarHBondContact O-N 2.96Å
281	G	95.6	Very high	96.6	Very high	30 Å²	30	35.2 Å²	35.2	31%	0.309	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	-8.2	179.3	0	0	0	0	0	115.3	D279 K283	D279-G281 PolarHBondContact O-N 3.01Å; G281-K283 WeakPolarHBondContact O-CE 3.38Å; G281-K283 PolarHBondContact O-NZ 3.08Å; G281-K283 VanDerWaalsContact O-NZ 3.07Å
282	I	98.1	Very high	96.6	Very high	2 Å²	2	39 Å²	39	1%	0.01	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-51.1	140.2	-171.8	-166.2	172.8	0	0	0	113.2	T251 P277 D279 E280 Y284 Q319 R324	T251-I282 HydrophobicContact CG2-CD1 3.91Å; P277-I282 HydrophobicContact CB-CD1 3.94Å; P277-I282 VanDerWaalsContact O-CD1 3.27Å; P277-I282 WeakPolarHBondContact O-CD1 3.29Å; D279-I282 VanDerWaalsContact O-CB 3.26Å; D279-I282 WeakPolarHBondContact O-CB 3.31Å; D279-I282 VanDerWaalsContact O-CG2 3.25Å; D279-I282 WeakPolarHBondContact O-CG2 3.29Å; D279-I282 PolarHBondContact O-N 3.46Å; E280-I282 VanDerWaalsContact C-N 3.29Å; E280-I282 PolarHBondContact O-N 2.96Å; I282-Y284 HydrophobicContact CD1-CE1 4.04Å; I282-Y284 HydrophobicContact CG2-CD2 4.37Å; I282-Y284 HydrophobicContact CG2-CE1 4.34Å; I282-Y284 HydrophobicContact CG2-CE2 3.62Å; I282-Q319 HydrophobicContact CG2-CB 3.84Å; I282-Q319 HydrophobicContact CG2-CG 4.32Å; I282-R324 PolarHBondContact O-NE 2.88Å
283	K	98.6	Very high	96.8	Very high	22 Å²	22	37.6 Å²	37.6	10%	0.096	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.7	174.5	-48.7	-54.1	-178.5	-150.9	0	109.6	E193 L195 S252 V253 Y254 G281 R324 Y326	E193-K283 IonicContact OE1-NZ 2.98Å; E193-K283 IonicContact OE2-NZ 2.78Å; E193-K283 PolarHBondContact OE2-NZ 3.07Å; L195-K283 HydrophobicContact CD1-CB 3.97Å; L195-K283 HydrophobicContact CD1-CG 4.27Å; S252-K283 PolarHBondContact O-N 3.33Å; V253-K283 CarbonylContact C-O 3.47Å; V253-K283 VanDerWaalsContact CA-O 3.3Å; V253-K283 WeakPolarHBondContact CA-O 3.2Å; V253-K283 HydrophobicContact CG1-CB 4.49Å; V253-K283 HydrophobicContact CG2-CB 4.22Å; Y254-K283 PolarHBondContact N-O 3.46Å; G281-K283 WeakPolarHBondContact O-CE 3.38Å; G281-K283 PolarHBondContact O-NZ 3.08Å; G281-K283 VanDerWaalsContact O-NZ 3.07Å; K283-R324 HydrophobicContact CD-CB 3.67Å; K283-R324 HydrophobicContact CD-CG 4.43Å; K283-Y326 HydrophobicContact CB-CD2 4.38Å; K283-Y326 HydrophobicContact CB-CE2 4.03Å; K283-Y326 HydrophobicContact CD-CE2 4.13Å; K283-Y326 HydrophobicContact CG-CE2 4.32Å
284	Y	98.7	Very high	96.8	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.5	173.5	-65.4	-68.9	0	0	0	109.6	Y254 P277 I282 Y316 Q319 Y326	Y254-Y284 AromaticContact CD1-CD1 3.87Å; Y254-Y284 HydrophobicContact CD1-CD1 3.87Å; Y254-Y284 HydrophobicContact CD1-CE1 4.01Å; Y254-Y284 HydrophobicContact CG-CD1 4.42Å; Y254-Y284 HydrophobicContact CG-CE1 4.49Å; P277-Y284 PolarHBondContact O-OH 3.47Å; I282-Y284 HydrophobicContact CD1-CE1 4.04Å; I282-Y284 HydrophobicContact CG2-CD2 4.37Å; I282-Y284 HydrophobicContact CG2-CE1 4.34Å; I282-Y284 HydrophobicContact CG2-CE2 3.62Å; Y284-Y316 AromaticContact CD1-CD1 3.67Å; Y284-Y316 HydrophobicContact CD1-CD1 3.67Å; Y284-Y316 AromaticContact CD1-CE1 3.84Å; Y284-Y316 HydrophobicContact CD1-CE1 3.84Å; Y284-Y316 AromaticContact CD2-CD1 3.62Å; Y284-Y316 HydrophobicContact CD2-CD1 3.62Å; Y284-Y316 HydrophobicContact CD2-CE1 4.11Å; Y284-Y316 AromaticContact CE1-CD1 3.65Å; Y284-Y316 HydrophobicContact CE1-CD1 3.65Å; Y284-Y316 HydrophobicContact CE1-CE1 4.25Å; Y284-Y316 AromaticContact CE2-CD1 3.59Å; Y284-Y316 HydrophobicContact CE2-CD1 3.59Å; Y284-Y316 HydrophobicContact CE2-CE1 4.49Å; Y284-Y316 HydrophobicContact CE2-CG 4.31Å; Y284-Y316 AromaticContact CG-CD1 3.64Å; Y284-Y316 HydrophobicContact CG-CD1 3.64Å; Y284-Y316 AromaticContact CG-CE1 3.74Å; Y284-Y316 HydrophobicContact CG-CE1 3.74Å; Y284-Y316 AromaticContact CZ-CD1 3.59Å; Y284-Y316 PolarHBondContact OH-O 3.08Å; Y284-Q319 HydrophobicContact CE2-CB 3.98Å; Y284-Y326 PolarHBondContact O-N 3.27Å
285	V	98.8	Very high	96.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	112.4	178.4	-178.8	0	0	0	0	108.7	F150 L195 V253 Y254 V255 H256 Y326 L328	F150-V285 HydrophobicContact CE1-CG1 4.46Å; L195-V285 HydrophobicContact CD1-CG2 3.98Å; V253-V285 HydrophobicContact CG1-CG2 3.57Å; Y254-V285 PolarHBondContact O-N 2.91Å; V255-V285 CarbonylContact C-O 3.54Å; V255-V285 VanDerWaalsContact CA-O 3.27Å; V255-V285 WeakPolarHBondContact CA-O 3.42Å; V255-V285 HydrophobicContact CG1-CB 4.47Å; V255-V285 HydrophobicContact CG1-CG1 4.46Å; V255-V285 HydrophobicContact CG2-CB 4.12Å; H256-V285 PolarHBondContact N-O 3.13Å; V285-Y326 CarbonylContact C-O 3.6Å; V285-Y326 WeakPolarHBondContact CA-O 3.29Å; V285-Y326 HydrophobicContact CG2-CD2 4.35Å; V285-Y326 HydrophobicContact CG2-CG 4.45Å; V285-L328 HydrophobicContact CG1-CD1 4.38Å; V285-L328 HydrophobicContact CG1-CD2 3.57Å; V285-L328 HydrophobicContact CG1-CG 3.72Å
286	M	98.7	Very high	97	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	135.7	-177	-173.7	167.2	167.8	0	0	111.9	H256 D293 W296 L297 F325 Y326 V327 L328	H256-M286 CarbonylContact O-C 3.59Å; H256-M286 VanDerWaalsContact O-CA 3.31Å; H256-M286 WeakPolarHBondContact O-CA 3.17Å; M286-D293 HydrophobicContact CE-CB 3.61Å; M286-D293 WeakPolarHBondContact CE-O 3.48Å; M286-W296 HydrophobicContact CE-CB 4.15Å; M286-W296 HydrophobicContact CE-CG 4.12Å; M286-L297 HydrophobicContact CE-CD1 4.49Å; M286-L297 HydrophobicContact CE-CD2 4.42Å; M286-L297 HydrophobicContact CE-CG 3.97Å; M286-L297 HydrophobicContact SD-CD2 3.67Å; M286-L297 HydrophobicContact SD-CG 3.89Å; M286-F325 HydrophobicContact CB-CE1 4.27Å; M286-F325 HydrophobicContact CB-CE2 4.46Å; M286-F325 HydrophobicContact CB-CZ 3.69Å; M286-F325 HydrophobicContact CG-CZ 4.45Å; M286-F325 HydrophobicContact SD-CZ 3.94Å; M286-Y326 PolarHBondContact N-O 2.71Å; M286-V327 WeakPolarHBondContact O-CA 3.27Å; M286-L328 PolarHBondContact O-N 3.29Å
287	I	98.8	Very high	96.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.18	C	C	.	.			trans	-97.9	114.1	173.6	-52.6	170.6	0	0	0	108.7	V255 H256 T257 E289 L328 L333 N358 F361	V255-I287 HydrophobicContact CG1-CD1 3.86Å; V255-I287 HydrophobicContact CG1-CG1 4.03Å; H256-I287 PolarHBondContact O-N 3.23Å; T257-I287 HydrophobicContact CG2-CB 3.83Å; T257-I287 HydrophobicContact CG2-CD1 4.44Å; T257-I287 HydrophobicContact CG2-CG2 4.44Å; I287-E289 HydrophobicContact CG2-CG 4.21Å; I287-E289 PolarHBondContact O-N 2.67Å; I287-L328 HydrophobicContact CG1-CD1 3.97Å; I287-L333 HydrophobicContact CG2-CD1 4.01Å; I287-L333 HydrophobicContact CG2-CD2 4.19Å; I287-N358 HydrophobicContact CD1-CB 4.13Å; I287-F361 HydrophobicContact CD1-CB 3.93Å; I287-F361 HydrophobicContact CD1-CD2 4.06Å; I287-F361 HydrophobicContact CD1-CG 4.35Å
288	P	97.4	Very high	96.8	Very high	1 Å²	1	42 Å²	42	1%	0.006	20%	0.199	C	C	.	.			trans	-79.6	82.6	-179.4	31.8	-34.6	0	0	0	111.9	F294 V327 L328	P288-F294 HydrophobicContact CB-CE1 4.03Å; P288-F294 HydrophobicContact CB-CZ 3.87Å; P288-V327 HydrophobicContact CB-CG1 4.33Å; P288-V327 HydrophobicContact CG-CG1 3.9Å; P288-L328 WeakPolarHBondContact CD-O 3.31Å; P288-L328 WeakPolarHBondContact CG-O 3.28Å
289	E	94.3	Very high	96.6	Very high	43 Å²	43	39 Å²	39	20%	0.201	19%	0.191	C	C	.	.			trans	-72.6	-26.4	-176.2	-78.2	-177.5	142.7	0	0	115.5	N169 P170 T257 I287 R292 D293 R355	N169-E289 WeakPolarHBondContact CB-O 3.29Å; P170-E289 HydrophobicContact CG-CG 4.42Å; T257-E289 WeakPolarHBondContact CB-OE2 3.47Å; T257-E289 HydrophobicContact CG2-CG 3.67Å; T257-E289 VanDerWaalsContact CG2-OE2 3.24Å; T257-E289 WeakPolarHBondContact CG2-OE2 3.24Å; T257-E289 PolarHBondContact OG1-OE2 3.36Å; I287-E289 HydrophobicContact CG2-CG 4.21Å; I287-E289 PolarHBondContact O-N 2.67Å; E289-R292 IonicContact OE2-NH2 2.91Å; E289-R292 PolarHBondContact OE2-NH2 2.85Å; E289-D293 WeakPolarHBondContact CB-OD2 3.32Å; E289-R355 IonicContact OE1-CZ 3.38Å; E289-R355 IonicContact OE1-NE 3.53Å; E289-R355 PolarHBondContact OE1-NE 3.12Å; E289-R355 IonicContact OE1-NH1 3.08Å; E289-R355 PolarHBondContact OE1-NH1 3.37Å; E289-R355 IonicContact OE1-NH2 2.62Å; E289-R355 PolarHBondContact OE1-NH2 3.4Å
290	G	94.7	Very high	96.4	Very high	11 Å²	11	36.7 Å²	36.7	11%	0.113	18%	0.178	C	C	.	.	S	Bend	trans	-177.6	-173.7	-172.2	0	0	0	0	0	113.4	R292 D293 F294	G290-R292 PolarHBondContact O-N 3.42Å; G290-R292 VanDerWaalsContact O-N 3.16Å; G290-D293 PolarHBondContact N-OD2 3.3Å; G290-D293 WeakPolarHBondContact O-CA 3.29Å; G290-D293 WeakPolarHBondContact O-CB 3.36Å; G290-D293 PolarHBondContact O-N 3.36Å; G290-F294 WeakPolarHBondContact O-CD2 3.33Å; G290-F294 PolarHBondContact O-N 3.18Å
291	M	95.9	Very high	96.3	Very high	50 Å²	50	29 Å²	29	25%	0.246	14%	0.142	C	C	.	.	H	α-helix	trans	-57.4	-32.8	-177.9	-175.1	56.9	72.8	0	0	113.2	M176 D180 V181 D293 F294 K295	M176-M291 HydrophobicContact CB-CE 4.28Å; M176-M291 HydrophobicContact CG-CE 4.34Å; M176-M291 HydrophobicContact SD-CE 4.36Å; D180-M291 HydrophobicContact CB-CE 3.81Å; D180-M291 HydrophobicContact CB-SD 4.34Å; V181-M291 HydrophobicContact CG2-CE 3.69Å; V181-M291 HydrophobicContact CG2-SD 4.4Å; M291-D293 VanDerWaalsContact C-N 3.27Å; M291-D293 PolarHBondContact O-N 3.39Å; M291-F294 PolarHBondContact O-N 2.85Å; M291-K295 HydrophobicContact CG-CD 4.36Å; M291-K295 WeakPolarHBondContact O-CG 3.21Å; M291-K295 PolarHBondContact O-N 3.49Å
292	R	95.9	Very high	95.9	Very high	112 Å²	112	34.5 Å²	34.5	42%	0.423	15%	0.154	S	C	.	.	H	α-helix	trans	-58.5	-40.5	173.9	-179.5	-165.3	59.8	-132	-12.4	111.8	S258 E289 G290 K295 W296	S258-R292 WeakPolarHBondContact OG-CG 3.29Å; S258-R292 PolarHBondContact OG-NE 3.09Å; E289-R292 IonicContact OE2-NH2 2.91Å; E289-R292 PolarHBondContact OE2-NH2 2.85Å; G290-R292 PolarHBondContact O-N 3.42Å; G290-R292 VanDerWaalsContact O-N 3.16Å; R292-K295 PolarHBondContact O-N 3.18Å; R292-W296 WeakPolarHBondContact O-CB 3.47Å; R292-W296 PolarHBondContact O-N 3.08Å
293	D	97.6	Very high	94.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-70.9	-37.4	-179.8	-62.9	-81	0	0	0	111.7	S258 M286 E289 G290 M291 W296 L297	S258-D293 VanDerWaalsContact CB-OD1 3.24Å; S258-D293 WeakPolarHBondContact CB-OD1 3.43Å; S258-D293 PolarHBondContact N-OD1 2.98Å; S258-D293 PolarHBondContact OG-OD1 2.79Å; S258-D293 PolarHBondContact OG-OD2 3.36Å; M286-D293 HydrophobicContact CE-CB 3.61Å; M286-D293 WeakPolarHBondContact CE-O 3.48Å; E289-D293 WeakPolarHBondContact CB-OD2 3.32Å; G290-D293 PolarHBondContact N-OD2 3.3Å; G290-D293 WeakPolarHBondContact O-CA 3.29Å; G290-D293 WeakPolarHBondContact O-CB 3.36Å; G290-D293 PolarHBondContact O-N 3.36Å; M291-D293 VanDerWaalsContact C-N 3.27Å; M291-D293 PolarHBondContact O-N 3.39Å; D293-W296 WeakPolarHBondContact O-CB 3.39Å; D293-W296 PolarHBondContact O-N 2.91Å; D293-L297 WeakPolarHBondContact O-CG 3.44Å; D293-L297 PolarHBondContact O-N 3.44Å
294	F	97.2	Very high	92.7	Very high	3 Å²	3	42.1 Å²	42.1	1%	0.013	19%	0.193	C	C	.	.	H	α-helix	trans	-68.2	-39.6	172.4	-65.7	-63.7	0	0	0	112.6	F173 M176 V181 V184 L185 P288 G290 M291 W296 L297 K298	F173-F294 HydrophobicContact CD1-CE2 4.49Å; F173-F294 HydrophobicContact CD1-CZ 4.26Å; F173-F294 HydrophobicContact CE1-CE2 4.49Å; F173-F294 AromaticContact CE1-CZ 3.83Å; F173-F294 HydrophobicContact CE1-CZ 3.83Å; M176-F294 HydrophobicContact CE-CD2 4Å; M176-F294 HydrophobicContact CE-CE2 3.66Å; M176-F294 HydrophobicContact SD-CD2 3.82Å; M176-F294 HydrophobicContact SD-CE2 3.59Å; M176-F294 VanDerWaalsContact SD-CE2 3.59Å; V181-F294 HydrophobicContact CG1-CD1 4.07Å; V181-F294 HydrophobicContact CG1-CD2 4.11Å; V181-F294 HydrophobicContact CG1-CE1 4.06Å; V181-F294 HydrophobicContact CG1-CE2 4.07Å; V181-F294 HydrophobicContact CG1-CG 4.12Å; V181-F294 HydrophobicContact CG1-CZ 4.05Å; V181-F294 HydrophobicContact CG2-CD2 4.25Å; V184-F294 HydrophobicContact CG1-CB 4.46Å; V184-F294 HydrophobicContact CG1-CD1 4.46Å; V184-F294 WeakPolarHBondContact CG1-O 3.35Å; L185-F294 HydrophobicContact CD2-CD1 4.06Å; L185-F294 HydrophobicContact CD2-CE1 3.47Å; L185-F294 VanDerWaalsContact CD2-CE1 3.47Å; L185-F294 HydrophobicContact CD2-CZ 4.34Å; P288-F294 HydrophobicContact CB-CE1 4.03Å; P288-F294 HydrophobicContact CB-CZ 3.87Å; G290-F294 WeakPolarHBondContact O-CD2 3.33Å; G290-F294 PolarHBondContact O-N 3.18Å; M291-F294 PolarHBondContact O-N 2.85Å; F294-W296 VanDerWaalsContact C-N 3.32Å; F294-W296 PolarHBondContact O-N 3.5Å; F294-L297 HydrophobicContact CD1-CD1 4.19Å; F294-L297 PolarHBondContact O-N 2.55Å; F294-K298 PolarHBondContact O-N 3.47Å
295	K	95.7	Very high	90.4	Very high	141 Å²	141	48.4 Å²	48.4	61%	0.613	22%	0.222	S	C	*	.	H	α-helix	trans	-61.1	-42.1	172	-72	176.7	178.6	-177	0	111.6	M291 R292 K298 A299	M291-K295 HydrophobicContact CG-CD 4.36Å; M291-K295 WeakPolarHBondContact O-CG 3.21Å; M291-K295 PolarHBondContact O-N 3.49Å; R292-K295 PolarHBondContact O-N 3.18Å; K295-K298 PolarHBondContact O-N 2.77Å; K295-A299 PolarHBondContact O-N 3.46Å; K295-A299 VanDerWaalsContact O-N 3.11Å
296	W	95.6	Very high	88.2	Confident	34 Å²	34	57 Å²	57	13%	0.129	26%	0.262	C	S	.	.	H	α-helix	trans	-60.4	-48.9	173.9	-177.9	-80.7	0	0	0	111.8	I261 M286 R292 D293 F294 K298 A299 L300 P312 Y315 Y316	I261-W296 HydrophobicContact CG2-CH2 3.72Å; I261-W296 HydrophobicContact CG2-CZ2 3.59Å; M286-W296 HydrophobicContact CE-CB 4.15Å; M286-W296 HydrophobicContact CE-CG 4.12Å; R292-W296 WeakPolarHBondContact O-CB 3.47Å; R292-W296 PolarHBondContact O-N 3.08Å; D293-W296 WeakPolarHBondContact O-CB 3.39Å; D293-W296 PolarHBondContact O-N 2.91Å; F294-W296 VanDerWaalsContact C-N 3.32Å; F294-W296 PolarHBondContact O-N 3.5Å; W296-K298 PolarHBondContact O-N 3.13Å; W296-A299 PolarHBondContact O-N 3.46Å; W296-L300 WeakPolarHBondContact O-CB 3.36Å; W296-L300 PolarHBondContact O-N 2.97Å; W296-P312 HydrophobicContact CD2-CB 3.83Å; W296-P312 HydrophobicContact CD2-CG 3.93Å; W296-P312 HydrophobicContact CE3-CB 4.29Å; W296-P312 HydrophobicContact CE3-CG 4.11Å; W296-P312 HydrophobicContact CG-CB 4.32Å; W296-P312 HydrophobicContact CG-CG 4.3Å; W296-P312 HydrophobicContact CH2-CB 4.25Å; W296-P312 HydrophobicContact CZ2-CB 3.75Å; W296-P312 HydrophobicContact CZ3-CB 4.49Å; W296-Y315 HydrophobicContact CH2-CD1 4.35Å; W296-Y315 AromaticContact CH2-CD2 3.3Å; W296-Y315 HydrophobicContact CH2-CD2 3.3Å; W296-Y315 AromaticContact CH2-CE2 3.56Å; W296-Y315 HydrophobicContact CH2-CE2 3.56Å; W296-Y315 AromaticContact CH2-CG 3.72Å; W296-Y315 HydrophobicContact CH2-CG 3.72Å; W296-Y315 AromaticContact CZ2-CD2 3.95Å; W296-Y315 HydrophobicContact CZ2-CD2 3.95Å; W296-Y315 HydrophobicContact CZ2-CG 4.19Å; W296-Y315 HydrophobicContact CZ3-CD2 4.23Å; W296-Y315 HydrophobicContact CZ3-CE2 4.06Å; W296-Y316 HydrophobicContact CZ2-CE2 4.16Å; W296-Y316 PolarHBondContact NE1-OH 3.04Å
297	L	96.2	Very high	86.1	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.2	-45.9	177.3	-76.7	168.2	0	0	0	111.9	V184 I188 M286 D293 F294 A299 L300 I301 F325 V327	V184-L297 HydrophobicContact CG1-CB 3.86Å; I188-L297 HydrophobicContact CD1-CD1 4.17Å; M286-L297 HydrophobicContact CE-CD1 4.49Å; M286-L297 HydrophobicContact CE-CD2 4.42Å; M286-L297 HydrophobicContact CE-CG 3.97Å; M286-L297 HydrophobicContact SD-CD2 3.67Å; M286-L297 HydrophobicContact SD-CG 3.89Å; D293-L297 WeakPolarHBondContact O-CG 3.44Å; D293-L297 PolarHBondContact O-N 3.44Å; F294-L297 HydrophobicContact CD1-CD1 4.19Å; F294-L297 PolarHBondContact O-N 2.55Å; L297-A299 VanDerWaalsContact C-N 3.35Å; L297-A299 PolarHBondContact O-N 2.98Å; L297-L300 PolarHBondContact O-N 2.97Å; L297-I301 WeakPolarHBondContact O-CB 3.4Å; L297-I301 VanDerWaalsContact O-CG1 3.26Å; L297-I301 WeakPolarHBondContact O-CG1 3.35Å; L297-I301 PolarHBondContact O-N 3.42Å; L297-F325 HydrophobicContact CD2-CE1 3.67Å; L297-F325 HydrophobicContact CD2-CZ 4.03Å; L297-V327 HydrophobicContact CD1-CG1 4.37Å; L297-V327 HydrophobicContact CD1-CG2 4.36Å; L297-V327 HydrophobicContact CD2-CG2 3.82Å
298	K	95	Very high	84.3	Confident	102 Å²	102	66.6 Å²	66.6	44%	0.443	31%	0.31	S	S	.	.	H	α-helix	trans	-56.7	-49.1	177.3	-172.7	179.1	178.2	178.4	0	111.4	V184 L187 F294 K295 W296 R302	V184-K298 HydrophobicContact CG1-CB 4.2Å; V184-K298 HydrophobicContact CG2-CB 3.9Å; V184-K298 HydrophobicContact CG2-CD 4.14Å; V184-K298 HydrophobicContact CG2-CG 4.27Å; L187-K298 HydrophobicContact CD1-CG 4.47Å; F294-K298 PolarHBondContact O-N 3.47Å; K295-K298 PolarHBondContact O-N 2.77Å; W296-K298 PolarHBondContact O-N 3.13Å; K298-R302 WeakPolarHBondContact O-CB 3.5Å; K298-R302 PolarHBondContact O-N 3.37Å
299	A	93.2	Very high	82.7	Confident	30 Å²	30	75.6 Å²	75.6	25%	0.248	35%	0.349	C	S	.	.	H	α-helix	trans	-69.6	-35.4	179.9	0	0	0	0	0	112.8	K295 W296 L297 E303 P312	K295-A299 PolarHBondContact O-N 3.46Å; K295-A299 VanDerWaalsContact O-N 3.11Å; W296-A299 PolarHBondContact O-N 3.46Å; L297-A299 VanDerWaalsContact C-N 3.35Å; L297-A299 PolarHBondContact O-N 2.98Å; A299-E303 PolarHBondContact O-N 3.01Å; A299-P312 HydrophobicContact CB-CG 3.78Å
300	L	93.3	Very high	81.5	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-65.6	-45.3	177.4	179.2	58.4	0	0	0	111.7	W296 L297 P312 R313 Y316 Y320 F325	W296-L300 WeakPolarHBondContact O-CB 3.36Å; W296-L300 PolarHBondContact O-N 2.97Å; L297-L300 PolarHBondContact O-N 2.97Å; L300-P312 HydrophobicContact CB-CB 3.93Å; L300-P312 HydrophobicContact CB-CG 4.45Å; L300-P312 HydrophobicContact CD1-CB 4.05Å; L300-R313 HydrophobicContact CD1-CG 3.58Å; L300-R313 PolarHBondContact O-NE 3.07Å; L300-R313 PolarHBondContact O-NH2 3Å; L300-R313 VanDerWaalsContact O-NH2 3.12Å; L300-Y316 HydrophobicContact CD1-CD2 4.12Å; L300-Y316 HydrophobicContact CD1-CE2 3.71Å; L300-Y316 HydrophobicContact CD2-CE2 3.95Å; L300-Y316 HydrophobicContact CG-CE2 4.5Å; L300-Y320 HydrophobicContact CD1-CD1 4.18Å; L300-Y320 HydrophobicContact CD1-CD2 3.69Å; L300-Y320 HydrophobicContact CD1-CE1 4.23Å; L300-Y320 HydrophobicContact CD1-CE2 3.74Å; L300-Y320 HydrophobicContact CD1-CG 3.92Å; L300-Y320 HydrophobicContact CD2-CD2 4.01Å; L300-Y320 HydrophobicContact CD2-CE2 3.6Å; L300-Y320 HydrophobicContact CG-CD2 4.02Å; L300-Y320 HydrophobicContact CG-CE1 4.41Å; L300-Y320 HydrophobicContact CG-CE2 3.54Å; L300-F325 HydrophobicContact CD2-CD2 4.41Å; L300-F325 HydrophobicContact CD2-CE1 4.26Å; L300-F325 HydrophobicContact CD2-CE2 3.7Å; L300-F325 HydrophobicContact CD2-CZ 3.6Å
301	I	92.4	Very high	81.2	Confident	26 Å²	26	80.2 Å²	80.2	13%	0.133	37%	0.374	C	S	.	.	H	α-helix	trans	-77	-51.4	-176.4	-62.5	164.7	0	0	0	111.1	L187 I188 L297 E303 R313	L187-I301 HydrophobicContact CB-CD1 4.02Å; L187-I301 HydrophobicContact CB-CG2 4.12Å; I188-I301 HydrophobicContact CG1-CD1 4.23Å; L297-I301 WeakPolarHBondContact O-CB 3.4Å; L297-I301 VanDerWaalsContact O-CG1 3.26Å; L297-I301 WeakPolarHBondContact O-CG1 3.35Å; L297-I301 PolarHBondContact O-N 3.42Å; I301-E303 VanDerWaalsContact C-N 3.31Å; I301-E303 PolarHBondContact O-N 2.97Å; I301-R313 PolarHBondContact O-NH2 3.11Å
302	R	87.6	Confident	81.1	Confident	146 Å²	146	78.3 Å²	78.3	55%	0.551	37%	0.365	S	S	*	.	H	α-helix	trans	-75.3	-16.6	-172.8	-68.6	-167.4	174.7	-171.1	-0.1	114.9	L187 K298	L187-R302 HydrophobicContact CD1-CG 3.92Å; L187-R302 VanDerWaalsContact CD1-NE 3.27Å; K298-R302 WeakPolarHBondContact O-CB 3.5Å; K298-R302 PolarHBondContact O-N 3.37Å
303	E	70.6	Confident	80.9	Confident	88 Å²	88	76.6 Å²	76.6	41%	0.411	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	87	-173.3	-170.3	167.9	-171.2	0	0	111.8	A299 I301 Q305 R313	A299-E303 PolarHBondContact O-N 3.01Å; I301-E303 VanDerWaalsContact C-N 3.31Å; I301-E303 PolarHBondContact O-N 2.97Å; E303-Q305 PolarHBondContact O-N 2.86Å; E303-Q305 VanDerWaalsContact O-N 3.12Å; E303-R313 IonicContact OE2-CZ 3.94Å; E303-R313 IonicContact OE2-NH1 2.77Å; E303-R313 PolarHBondContact OE2-NH1 3.32Å
304	D	58.3	Low	80.6	Confident	96 Å²	96	80.3 Å²	80.3	51%	0.513	38%	0.382	S	S	.	.			trans	-69.7	109.8	175.8	-165.2	-3.4	0	0	0	110.4	E306	D304-E306 PolarHBondContact O-N 2.94Å; D304-E306 PolarHBondContact OD1-N 2.89Å
305	Q	51.9	Low	80.5	Confident	133 Å²	133	83 Å²	83	62%	0.621	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-19.7	-177.5	-70.6	-73.6	-16.9	0	0	112.6	E303 S307	E303-Q305 PolarHBondContact O-N 2.86Å; E303-Q305 VanDerWaalsContact O-N 3.12Å; Q305-S307 VanDerWaalsContact C-N 3.34Å; Q305-S307 PolarHBondContact O-N 2.87Å
306	E	52.3	Low	80.5	Confident	180 Å²	180	76.3 Å²	76.3	84%	0.841	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-10.4	-170.9	-70.8	-174	158.7	0	0	114.2	D304	D304-E306 PolarHBondContact O-N 2.94Å; D304-E306 PolarHBondContact OD1-N 2.89Å
307	S	54.7	Low	80.4	Confident	47 Å²	47	77 Å²	77	33%	0.329	37%	0.373	S	S	.	.			trans	-155.8	77.8	-179.1	158.3	0	0	0	0	113.2	Q305 K309 N310 S311	Q305-S307 VanDerWaalsContact C-N 3.34Å; Q305-S307 PolarHBondContact O-N 2.87Å; S307-K309 PolarHBondContact O-N 3.28Å; S307-K309 VanDerWaalsContact O-N 3.15Å; S307-N310 PolarHBondContact O-N 3.22Å; S307-S311 PolarHBondContact O-N 3.3Å
308	K	61.2	Low	80.3	Confident	155 Å²	155	80.4 Å²	80.4	67%	0.674	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-56.1	-30	172.7	-70	-174.4	178.7	179.7	0	113.4	N310	K308-N310 PolarHBondContact O-N 3Å
309	K	62.2	Low	80.3	Confident	190 Å²	190	78 Å²	78	83%	0.826	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-74	-22.5	-173.9	-153.4	173.9	-175.6	176.3	0	114.6	S307	S307-K309 PolarHBondContact O-N 3.28Å; S307-K309 VanDerWaalsContact O-N 3.15Å
310	N	70.8	Confident	80.4	Confident	132 Å²	132	77.9 Å²	77.9	71%	0.706	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-119	15	178.8	-62.3	-39.7	0	0	0	113	S307 K308	S307-N310 PolarHBondContact O-N 3.22Å; K308-N310 PolarHBondContact O-N 3Å
311	S	87.9	Confident	80.5	Confident	19 Å²	19	80.9 Å²	80.9	13%	0.133	41%	0.408	C	S	.	.			trans	-65.5	136.4	-179.6	174.5	0	0	0	0	111.4	S307 R313 T314	S307-S311 PolarHBondContact O-N 3.3Å; S311-R313 PolarHBondContact O-N 3.1Å; S311-R313 VanDerWaalsContact O-N 3.07Å; S311-R313 PolarHBondContact OG-N 3.38Å; S311-T314 WeakPolarHBondContact O-CB 3.34Å; S311-T314 WeakPolarHBondContact O-CG2 3.36Å; S311-T314 PolarHBondContact O-N 2.6Å; S311-T314 PolarHBondContact O-OG1 2.93Å
312	P	92.8	Very high	80.6	Confident	10 Å²	10	83.3 Å²	83.3	7%	0.065	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-47.5	-33.3	168.7	-34.6	40.5	0	0	0	114.4	W296 A299 L300 T314 Y315 Y316	W296-P312 HydrophobicContact CD2-CB 3.83Å; W296-P312 HydrophobicContact CD2-CG 3.93Å; W296-P312 HydrophobicContact CE3-CB 4.29Å; W296-P312 HydrophobicContact CE3-CG 4.11Å; W296-P312 HydrophobicContact CG-CB 4.32Å; W296-P312 HydrophobicContact CG-CG 4.3Å; W296-P312 HydrophobicContact CH2-CB 4.25Å; W296-P312 HydrophobicContact CZ2-CB 3.75Å; W296-P312 HydrophobicContact CZ3-CB 4.49Å; A299-P312 HydrophobicContact CB-CG 3.78Å; L300-P312 HydrophobicContact CB-CB 3.93Å; L300-P312 HydrophobicContact CB-CG 4.45Å; L300-P312 HydrophobicContact CD1-CB 4.05Å; P312-T314 PolarHBondContact O-N 2.97Å; P312-Y315 WeakPolarHBondContact O-CD2 3.11Å; P312-Y315 PolarHBondContact O-N 3.07Å; P312-Y315 VanDerWaalsContact O-N 3.13Å; P312-Y316 WeakPolarHBondContact O-CD2 3.29Å; P312-Y316 WeakPolarHBondContact O-CE2 3.27Å
313	R	92.2	Very high	81	Confident	77 Å²	77	78 Å²	78	29%	0.291	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-60.6	-27.3	-178.5	-70.6	-174.5	178.2	-154	4.1	113.2	L300 I301 E303 S311 Y315 Y316 Y320	L300-R313 HydrophobicContact CD1-CG 3.58Å; L300-R313 PolarHBondContact O-NE 3.07Å; L300-R313 PolarHBondContact O-NH2 3Å; L300-R313 VanDerWaalsContact O-NH2 3.12Å; I301-R313 PolarHBondContact O-NH2 3.11Å; E303-R313 IonicContact OE2-CZ 3.94Å; E303-R313 IonicContact OE2-NH1 2.77Å; E303-R313 PolarHBondContact OE2-NH1 3.32Å; S311-R313 PolarHBondContact O-N 3.1Å; S311-R313 VanDerWaalsContact O-N 3.07Å; S311-R313 PolarHBondContact OG-N 3.38Å; R313-Y315 PolarHBondContact O-N 2.71Å; R313-Y316 PolarHBondContact O-N 2.78Å; R313-Y316 VanDerWaalsContact O-N 3.16Å; R313-Y320 HydrophobicContact CG-CD1 4.39Å
314	T	92.1	Very high	82.3	Confident	77 Å²	77	75.3 Å²	75.3	47%	0.472	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-63.8	-20.6	179.1	63.2	0	0	0	0	113.2	S311 P312	S311-T314 WeakPolarHBondContact O-CB 3.34Å; S311-T314 WeakPolarHBondContact O-CG2 3.36Å; S311-T314 PolarHBondContact O-N 2.6Å; S311-T314 PolarHBondContact O-OG1 2.93Å; P312-T314 PolarHBondContact O-N 2.97Å
315	Y	94.3	Very high	84.1	Confident	61 Å²	61	71.3 Å²	71.3	24%	0.239	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-82.1	-11.4	178.7	-68.3	-93.4	0	0	0	114.2	I261 L265 A276 W296 P312 R313	I261-Y315 HydrophobicContact CG1-CD1 4.48Å; L265-Y315 HydrophobicContact CD2-CE1 4.03Å; A276-Y315 VanDerWaalsContact CB-O 3.31Å; A276-Y315 WeakPolarHBondContact CB-O 3.47Å; W296-Y315 HydrophobicContact CH2-CD1 4.35Å; W296-Y315 AromaticContact CH2-CD2 3.3Å; W296-Y315 HydrophobicContact CH2-CD2 3.3Å; W296-Y315 AromaticContact CH2-CE2 3.56Å; W296-Y315 HydrophobicContact CH2-CE2 3.56Å; W296-Y315 AromaticContact CH2-CG 3.72Å; W296-Y315 HydrophobicContact CH2-CG 3.72Å; W296-Y315 AromaticContact CZ2-CD2 3.95Å; W296-Y315 HydrophobicContact CZ2-CD2 3.95Å; W296-Y315 HydrophobicContact CZ2-CG 4.19Å; W296-Y315 HydrophobicContact CZ3-CD2 4.23Å; W296-Y315 HydrophobicContact CZ3-CE2 4.06Å; P312-Y315 WeakPolarHBondContact O-CD2 3.11Å; P312-Y315 PolarHBondContact O-N 3.07Å; P312-Y315 VanDerWaalsContact O-N 3.13Å; R313-Y315 PolarHBondContact O-N 2.71Å
316	Y	95.3	Very high	86.4	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-103.6	8.1	-175.5	-61	-86.9	0	0	0	113.3	H256 I261 Y284 W296 L300 P312 R313 G318 Q319 F325	H256-Y316 AromaticContact CE1-CZ 3.87Å; H256-Y316 PolarHBondContact CE1-OH 3.36Å; H256-Y316 AromaticContact NE2-CE1 3.49Å; H256-Y316 WeakPolarHBondContact NE2-CE1 3.3Å; H256-Y316 AromaticContact NE2-CZ 3.67Å; H256-Y316 PolarHBondContact NE2-OH 3.48Å; I261-Y316 HydrophobicContact CD1-CD1 4.3Å; I261-Y316 HydrophobicContact CD1-CE1 3.89Å; I261-Y316 HydrophobicContact CD1-CE2 4.42Å; Y284-Y316 AromaticContact CD1-CD1 3.67Å; Y284-Y316 HydrophobicContact CD1-CD1 3.67Å; Y284-Y316 AromaticContact CD1-CE1 3.84Å; Y284-Y316 HydrophobicContact CD1-CE1 3.84Å; Y284-Y316 AromaticContact CD2-CD1 3.62Å; Y284-Y316 HydrophobicContact CD2-CD1 3.62Å; Y284-Y316 HydrophobicContact CD2-CE1 4.11Å; Y284-Y316 AromaticContact CE1-CD1 3.65Å; Y284-Y316 HydrophobicContact CE1-CD1 3.65Å; Y284-Y316 HydrophobicContact CE1-CE1 4.25Å; Y284-Y316 AromaticContact CE2-CD1 3.59Å; Y284-Y316 HydrophobicContact CE2-CD1 3.59Å; Y284-Y316 HydrophobicContact CE2-CE1 4.49Å; Y284-Y316 HydrophobicContact CE2-CG 4.31Å; Y284-Y316 AromaticContact CG-CD1 3.64Å; Y284-Y316 HydrophobicContact CG-CD1 3.64Å; Y284-Y316 AromaticContact CG-CE1 3.74Å; Y284-Y316 HydrophobicContact CG-CE1 3.74Å; Y284-Y316 AromaticContact CZ-CD1 3.59Å; Y284-Y316 PolarHBondContact OH-O 3.08Å; W296-Y316 HydrophobicContact CZ2-CE2 4.16Å; W296-Y316 PolarHBondContact NE1-OH 3.04Å; L300-Y316 HydrophobicContact CD1-CD2 4.12Å; L300-Y316 HydrophobicContact CD1-CE2 3.71Å; L300-Y316 HydrophobicContact CD2-CE2 3.95Å; L300-Y316 HydrophobicContact CG-CE2 4.5Å; P312-Y316 WeakPolarHBondContact O-CD2 3.29Å; P312-Y316 WeakPolarHBondContact O-CE2 3.27Å; R313-Y316 PolarHBondContact O-N 2.78Å; R313-Y316 VanDerWaalsContact O-N 3.16Å; Y316-G318 PolarHBondContact O-N 3.21Å; Y316-G318 VanDerWaalsContact O-N 3.08Å; Y316-Q319 WeakPolarHBondContact O-CB 3.3Å; Y316-Q319 PolarHBondContact O-N 3.01Å; Y316-F325 HydrophobicContact CE1-CE2 4.09Å
317	S	94.2	Very high	88.6	Confident	47 Å²	47	56.8 Å²	56.8	33%	0.329	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	41.4	177.7	-53.4	0	0	0	0	114	S275 Q319	S275-S317 WeakPolarHBondContact CB-OG 3.31Å; S275-S317 PolarHBondContact OG-OG 3.31Å; S317-Q319 PolarHBondContact O-N 3.36Å
318	G	93.6	Very high	90.7	Very high	72 Å²	72	54.5 Å²	54.5	74%	0.742	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	-5.3	-179.5	0	0	0	0	0	115.7	Y316	Y316-G318 PolarHBondContact O-N 3.21Å; Y316-G318 VanDerWaalsContact O-N 3.08Å
319	Q	96.3	Very high	92.5	Very high	51 Å²	51	47.1 Å²	47.1	24%	0.238	25%	0.252	C	S	.	.			trans	-87.4	-4.2	-176.9	-67.9	-60.1	-34.6	0	0	114.8	H278 I282 Y284 Y316 S317 N321 R324	H278-Q319 HydrophobicContact CB-CB 4.48Å; H278-Q319 HydrophobicContact CB-CG 3.83Å; H278-Q319 VanDerWaalsContact O-CG 3.3Å; H278-Q319 WeakPolarHBondContact O-CG 3.33Å; I282-Q319 HydrophobicContact CG2-CB 3.84Å; I282-Q319 HydrophobicContact CG2-CG 4.32Å; Y284-Q319 HydrophobicContact CE2-CB 3.98Å; Y316-Q319 WeakPolarHBondContact O-CB 3.3Å; Y316-Q319 PolarHBondContact O-N 3.01Å; S317-Q319 PolarHBondContact O-N 3.36Å; Q319-N321 PolarHBondContact O-N 3Å; Q319-R324 PolarHBondContact O-NH2 3.22Å
320	Y	95.3	Very high	94.2	Very high	29 Å²	29	38.1 Å²	38.1	11%	0.114	21%	0.213	C	C	.	.			trans	-58.9	124	175.3	172.6	-99.1	0	0	0	110.2	L300 R313 F325	L300-Y320 HydrophobicContact CD1-CD1 4.18Å; L300-Y320 HydrophobicContact CD1-CD2 3.69Å; L300-Y320 HydrophobicContact CD1-CE1 4.23Å; L300-Y320 HydrophobicContact CD1-CE2 3.74Å; L300-Y320 HydrophobicContact CD1-CG 3.92Å; L300-Y320 HydrophobicContact CD2-CD2 4.01Å; L300-Y320 HydrophobicContact CD2-CE2 3.6Å; L300-Y320 HydrophobicContact CG-CD2 4.02Å; L300-Y320 HydrophobicContact CG-CE1 4.41Å; L300-Y320 HydrophobicContact CG-CE2 3.54Å; R313-Y320 HydrophobicContact CG-CD1 4.39Å; Y320-F325 HydrophobicContact CD2-CB 4.5Å; Y320-F325 AromaticContact CD2-CD2 3.76Å; Y320-F325 HydrophobicContact CD2-CD2 3.76Å; Y320-F325 HydrophobicContact CD2-CE2 4.32Å; Y320-F325 HydrophobicContact CD2-CG 4.28Å; Y320-F325 HydrophobicContact CE2-CB 3.97Å; Y320-F325 HydrophobicContact CE2-CD1 4.31Å; Y320-F325 AromaticContact CE2-CD2 3.57Å; Y320-F325 HydrophobicContact CE2-CD2 3.57Å; Y320-F325 HydrophobicContact CE2-CE2 4.13Å; Y320-F325 AromaticContact CE2-CG 3.69Å; Y320-F325 HydrophobicContact CE2-CG 3.69Å
321	N	95.6	Very high	95.5	Very high	63 Å²	63	31.9 Å²	31.9	34%	0.337	18%	0.179	S	C	.	.			trans	-145.5	121.1	175	176.8	-24.1	0	0	0	108.2	Q319 S323 R324 F325	Q319-N321 PolarHBondContact O-N 3Å; N321-S323 PolarHBondContact O-N 3.43Å; N321-S323 VanDerWaalsContact OD1-CB 3.28Å; N321-S323 WeakPolarHBondContact OD1-CB 3.24Å; N321-S323 PolarHBondContact OD1-N 3.27Å; N321-S323 PolarHBondContact OD1-OG 3.47Å; N321-R324 HydrophobicContact CB-CG 3.79Å; N321-R324 CarbonylContact O-C 3.45Å; N321-R324 WeakPolarHBondContact O-CG 3.41Å; N321-R324 PolarHBondContact O-N 2.93Å; N321-F325 PolarHBondContact O-N 3.29Å; N321-F325 VanDerWaalsContact O-N 3.15Å
322	E	94.5	Very high	96	Very high	77 Å²	77	31 Å²	31	36%	0.36	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-57.4	-31.7	-176.7	-172.1	-179.2	174.4	0	0	112.7	S189 R324 F325	S189-E322 WeakPolarHBondContact CB-OE1 3.37Å; S189-E322 PolarHBondContact OG-OE1 3.42Å; E322-R324 PolarHBondContact O-N 3.36Å; E322-R324 VanDerWaalsContact O-N 3.11Å; E322-F325 PolarHBondContact O-N 3.47Å
323	S	95.9	Very high	96.3	Very high	33 Å²	33	30.5 Å²	30.5	23%	0.231	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-65.9	-15.8	179.4	-59.8	0	0	0	0	113.5	K192 E193 N321	K192-S323 PolarHBondContact N-O 2.8Å; E193-S323 PolarHBondContact N-O 2.76Å; E193-S323 VanDerWaalsContact N-O 3.08Å; N321-S323 PolarHBondContact O-N 3.43Å; N321-S323 VanDerWaalsContact OD1-CB 3.28Å; N321-S323 WeakPolarHBondContact OD1-CB 3.24Å; N321-S323 PolarHBondContact OD1-N 3.27Å; N321-S323 PolarHBondContact OD1-OG 3.47Å
324	R	96.1	Very high	96.6	Very high	32 Å²	32	26.8 Å²	26.8	12%	0.121	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-137.2	23.9	-175.8	64	177	-169	-163.6	5.4	113	E193 I282 K283 Q319 N321 E322 Y326	E193-R324 HydrophobicContact CB-CB 4.48Å; I282-R324 PolarHBondContact O-NE 2.88Å; K283-R324 HydrophobicContact CD-CB 3.67Å; K283-R324 HydrophobicContact CD-CG 4.43Å; Q319-R324 PolarHBondContact O-NH2 3.22Å; N321-R324 HydrophobicContact CB-CG 3.79Å; N321-R324 CarbonylContact O-C 3.45Å; N321-R324 WeakPolarHBondContact O-CG 3.41Å; N321-R324 PolarHBondContact O-N 2.93Å; E322-R324 PolarHBondContact O-N 3.36Å; E322-R324 VanDerWaalsContact O-N 3.11Å; R324-Y326 VanDerWaalsContact O-CE2 3.32Å; R324-Y326 WeakPolarHBondContact O-CE2 3.35Å
325	F	97.9	Very high	96.9	Very high	13 Å²	13	23.1 Å²	23.1	6%	0.057	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.2	174	-177.7	-89.2	0	0	0	109.6	P191 M286 L297 L300 Y316 Y320 N321 E322 V327	P191-F325 WeakPolarHBondContact CG-O 3.48Å; M286-F325 HydrophobicContact CB-CE1 4.27Å; M286-F325 HydrophobicContact CB-CE2 4.46Å; M286-F325 HydrophobicContact CB-CZ 3.69Å; M286-F325 HydrophobicContact CG-CZ 4.45Å; M286-F325 HydrophobicContact SD-CZ 3.94Å; L297-F325 HydrophobicContact CD2-CE1 3.67Å; L297-F325 HydrophobicContact CD2-CZ 4.03Å; L300-F325 HydrophobicContact CD2-CD2 4.41Å; L300-F325 HydrophobicContact CD2-CE1 4.26Å; L300-F325 HydrophobicContact CD2-CE2 3.7Å; L300-F325 HydrophobicContact CD2-CZ 3.6Å; Y316-F325 HydrophobicContact CE1-CE2 4.09Å; Y320-F325 HydrophobicContact CD2-CB 4.5Å; Y320-F325 AromaticContact CD2-CD2 3.76Å; Y320-F325 HydrophobicContact CD2-CD2 3.76Å; Y320-F325 HydrophobicContact CD2-CE2 4.32Å; Y320-F325 HydrophobicContact CD2-CG 4.28Å; Y320-F325 HydrophobicContact CE2-CB 3.97Å; Y320-F325 HydrophobicContact CE2-CD1 4.31Å; Y320-F325 AromaticContact CE2-CD2 3.57Å; Y320-F325 HydrophobicContact CE2-CD2 3.57Å; Y320-F325 HydrophobicContact CE2-CE2 4.13Å; Y320-F325 AromaticContact CE2-CG 3.69Å; Y320-F325 HydrophobicContact CE2-CG 3.69Å; N321-F325 PolarHBondContact O-N 3.29Å; N321-F325 VanDerWaalsContact O-N 3.15Å; E322-F325 PolarHBondContact O-N 3.47Å; F325-V327 HydrophobicContact CD1-CG2 4.29Å; F325-V327 HydrophobicContact CE1-CG2 3.72Å
326	Y	98.7	Very high	97.1	Very high	5 Å²	5	20.2 Å²	20.2	2%	0.02	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	145.9	-172.8	-58.4	-99.9	0	0	0	110.4	F150 P191 E193 P194 L195 K283 Y284 V285 M286 R324	F150-Y326 AromaticContact CD1-CD1 3.9Å; F150-Y326 HydrophobicContact CD1-CD1 3.9Å; F150-Y326 HydrophobicContact CD1-CG 4.26Å; F150-Y326 AromaticContact CD2-CD1 3.84Å; F150-Y326 HydrophobicContact CD2-CD1 3.84Å; F150-Y326 HydrophobicContact CD2-CE1 4.39Å; F150-Y326 AromaticContact CE1-CD1 3.85Å; F150-Y326 HydrophobicContact CE1-CD1 3.85Å; F150-Y326 HydrophobicContact CE1-CG 4.1Å; F150-Y326 AromaticContact CE2-CD1 3.79Å; F150-Y326 HydrophobicContact CE2-CD1 3.79Å; F150-Y326 HydrophobicContact CE2-CE1 4.17Å; F150-Y326 AromaticContact CG-CD1 3.9Å; F150-Y326 HydrophobicContact CG-CD1 3.9Å; F150-Y326 AromaticContact CZ-CD1 3.8Å; F150-Y326 HydrophobicContact CZ-CD1 3.8Å; F150-Y326 HydrophobicContact CZ-CE1 4.42Å; F150-Y326 HydrophobicContact CZ-CG 4.38Å; P191-Y326 HydrophobicContact CB-CD1 3.97Å; P191-Y326 HydrophobicContact CB-CE1 3.48Å; P191-Y326 VanDerWaalsContact CB-CE1 3.48Å; P191-Y326 HydrophobicContact CG-CD1 3.51Å; P191-Y326 HydrophobicContact CG-CE1 3.58Å; P191-Y326 HydrophobicContact CG-CG 4.1Å; E193-Y326 PolarHBondContact O-OH 3.39Å; P194-Y326 PolarHBondContact O-OH 2.82Å; P194-Y326 VanDerWaalsContact O-OH 3.05Å; L195-Y326 VanDerWaalsContact CA-OH 3.32Å; L195-Y326 WeakPolarHBondContact CA-OH 3.45Å; L195-Y326 HydrophobicContact CB-CE1 4.21Å; L195-Y326 HydrophobicContact CD1-CD2 4Å; L195-Y326 HydrophobicContact CD1-CE1 4.5Å; L195-Y326 HydrophobicContact CD1-CE2 3.87Å; L195-Y326 HydrophobicContact CD1-CG 4.4Å; L195-Y326 PolarHBondContact N-OH 2.63Å; L195-Y326 VanDerWaalsContact N-OH 3.11Å; K283-Y326 HydrophobicContact CB-CD2 4.38Å; K283-Y326 HydrophobicContact CB-CE2 4.03Å; K283-Y326 HydrophobicContact CD-CE2 4.13Å; K283-Y326 HydrophobicContact CG-CE2 4.32Å; Y284-Y326 PolarHBondContact O-N 3.27Å; V285-Y326 CarbonylContact C-O 3.6Å; V285-Y326 WeakPolarHBondContact CA-O 3.29Å; V285-Y326 HydrophobicContact CG2-CD2 4.35Å; V285-Y326 HydrophobicContact CG2-CG 4.45Å; M286-Y326 PolarHBondContact N-O 2.71Å; R324-Y326 VanDerWaalsContact O-CE2 3.32Å; R324-Y326 WeakPolarHBondContact O-CE2 3.35Å
327	V	98.8	Very high	97.3	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.012	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.8	171.8	-177.8	0	0	0	0	107.8	F150 L151 I188 M286 P288 L297 F325	F150-V327 CarbonylContact C-O 3.52Å; F150-V327 VanDerWaalsContact CA-O 3.24Å; F150-V327 WeakPolarHBondContact CA-O 3.21Å; L151-V327 HydrophobicContact CB-CB 4.4Å; L151-V327 HydrophobicContact CB-CG1 4.3Å; L151-V327 HydrophobicContact CD2-CG1 4.29Å; L151-V327 PolarHBondContact N-O 3.11Å; I188-V327 HydrophobicContact CD1-CG1 4.43Å; I188-V327 HydrophobicContact CD1-CG2 4.27Å; I188-V327 HydrophobicContact CG2-CB 4.41Å; I188-V327 HydrophobicContact CG2-CG2 4Å; M286-V327 WeakPolarHBondContact O-CA 3.27Å; P288-V327 HydrophobicContact CB-CG1 4.33Å; P288-V327 HydrophobicContact CG-CG1 3.9Å; L297-V327 HydrophobicContact CD1-CG1 4.37Å; L297-V327 HydrophobicContact CD1-CG2 4.36Å; L297-V327 HydrophobicContact CD2-CG2 3.82Å; F325-V327 HydrophobicContact CD1-CG2 4.29Å; F325-V327 HydrophobicContact CE1-CG2 3.72Å
328	L	98.8	Very high	97.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-66.7	136.4	178.3	-67.5	-170.2	0	0	0	111.2	M149 F150 V285 M286 I287 P288 F332 L333 F361	M149-L328 CarbonylContact O-C 3.6Å; M149-L328 WeakPolarHBondContact O-CA 3.46Å; F150-L328 HydrophobicContact CD1-CD2 3.98Å; F150-L328 HydrophobicContact CE1-CD2 3.81Å; V285-L328 HydrophobicContact CG1-CD1 4.38Å; V285-L328 HydrophobicContact CG1-CD2 3.57Å; V285-L328 HydrophobicContact CG1-CG 3.72Å; M286-L328 PolarHBondContact O-N 3.29Å; I287-L328 HydrophobicContact CG1-CD1 3.97Å; P288-L328 WeakPolarHBondContact CD-O 3.31Å; P288-L328 WeakPolarHBondContact CG-O 3.28Å; L328-F332 HydrophobicContact CD1-CD1 4.11Å; L328-F332 HydrophobicContact CD1-CE1 4.13Å; L328-F332 HydrophobicContact CD2-CD1 4.1Å; L328-F332 HydrophobicContact CD2-CE1 4.23Å; L328-L333 HydrophobicContact CB-CD2 4Å; L328-L333 HydrophobicContact CB-CG 4.38Å; L328-L333 HydrophobicContact CD1-CD2 3.79Å; L328-F361 HydrophobicContact CD1-CB 4.34Å
329	H	98.6	Very high	97.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.091	C	C	.	.			trans	-75.1	141.2	178.7	-167.6	-79.7	0	0	0	111.3	N117 R148 M149 L151 D331 F332 L333	N117-H329 PolarHBondContact ND2-CE1 3.46Å; N117-H329 VanDerWaalsContact ND2-CE1 3.32Å; N117-H329 PolarHBondContact ND2-NE2 3.34Å; R148-H329 HydrophobicContact CG-CB 4.5Å; R148-H329 WeakPolarHBondContact O-CB 3.35Å; M149-H329 PolarHBondContact O-N 2.84Å; L151-H329 HydrophobicContact CB-CB 4.41Å; H329-D331 VanDerWaalsContact C-N 3.29Å; H329-D331 IonicContact CE1-OD2 3.3Å; H329-D331 PolarHBondContact CE1-OD2 2.85Å; H329-D331 WeakPolarHBondContact ND1-CB 3.42Å; H329-D331 PolarHBondContact ND1-N 3.12Å; H329-D331 IonicContact ND1-OD2 2.9Å; H329-D331 PolarHBondContact O-N 3.42Å; H329-F332 HydrophobicContact CB-CB 4.43Å; H329-F332 WeakPolarHBondContact O-CB 3.33Å; H329-F332 PolarHBondContact O-N 2.7Å; H329-L333 WeakPolarHBondContact O-CG 3.11Å; H329-L333 PolarHBondContact O-N 3.02Å; H329-L333 VanDerWaalsContact O-N 3.13Å
330	Q	98.5	Very high	97.8	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-55.2	-43.6	-179.2	-75.4	68.1	21.2	0	0	111.6	L164 F173 F332 L333 R334	L164-Q330 HydrophobicContact CD1-CB 4.09Å; L164-Q330 HydrophobicContact CD1-CG 4.47Å; L164-Q330 HydrophobicContact CD2-CB 3.94Å; F173-Q330 HydrophobicContact CE1-CG 4.2Å; F173-Q330 HydrophobicContact CZ-CG 4.08Å; Q330-F332 PolarHBondContact O-N 3.48Å; Q330-L333 WeakPolarHBondContact O-CB 3.33Å; Q330-L333 PolarHBondContact O-N 2.87Å; Q330-R334 WeakPolarHBondContact O-CG 3.4Å; Q330-R334 PolarHBondContact O-N 3.44Å
331	D	98.5	Very high	97.9	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.5	-34.8	174.7	-74	-26.8	0	0	0	114.2	Y116 N117 R163 L164 H329 L333 R334 Y335	Y116-D331 HydrophobicContact CD1-CB 4.01Å; N117-D331 WeakPolarHBondContact CB-OD2 3.35Å; N117-D331 PolarHBondContact N-OD2 2.8Å; R163-D331 IonicContact CZ-OD1 3.42Å; R163-D331 IonicContact CZ-OD2 2.79Å; R163-D331 IonicContact NH1-OD1 2.91Å; R163-D331 PolarHBondContact NH1-OD1 3.33Å; R163-D331 IonicContact NH1-OD2 2.91Å; R163-D331 IonicContact NH2-OD1 2.71Å; R163-D331 PolarHBondContact NH2-OD1 3.16Å; R163-D331 IonicContact NH2-OD2 3.38Å; R163-D331 PolarHBondContact NH2-OD2 3.36Å; L164-D331 WeakPolarHBondContact CD2-OD1 3.42Å; H329-D331 VanDerWaalsContact C-N 3.29Å; H329-D331 IonicContact CE1-OD2 3.3Å; H329-D331 PolarHBondContact CE1-OD2 2.85Å; H329-D331 WeakPolarHBondContact ND1-CB 3.42Å; H329-D331 PolarHBondContact ND1-N 3.12Å; H329-D331 IonicContact ND1-OD2 2.9Å; H329-D331 PolarHBondContact O-N 3.42Å; D331-L333 VanDerWaalsContact C-N 3.3Å; D331-L333 PolarHBondContact O-N 2.71Å; D331-R334 WeakPolarHBondContact O-CB 3.21Å; D331-R334 PolarHBondContact O-N 2.99Å; D331-R334 IonicContact OD1-CZ 2.7Å; D331-R334 IonicContact OD1-NH1 3.11Å; D331-R334 PolarHBondContact OD1-NH1 3.01Å; D331-Y335 WeakPolarHBondContact O-CB 3.45Å; D331-Y335 PolarHBondContact O-N 3.11Å
332	F	98.8	Very high	98	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.2	-42.1	173.2	-179.2	-111.3	0	0	0	110.5	I147 M149 L328 H329 Q330 R334 Y335 V336 F364 H368	I147-F332 HydrophobicContact CG1-CD2 4.03Å; I147-F332 HydrophobicContact CG2-CD2 3.78Å; I147-F332 HydrophobicContact CG2-CE2 4.02Å; M149-F332 HydrophobicContact CB-CD2 4.5Å; M149-F332 HydrophobicContact CE-CZ 4.21Å; M149-F332 HydrophobicContact CG-CD2 4.01Å; M149-F332 HydrophobicContact CG-CE2 3.97Å; M149-F332 HydrophobicContact CG-CZ 4.46Å; L328-F332 HydrophobicContact CD1-CD1 4.11Å; L328-F332 HydrophobicContact CD1-CE1 4.13Å; L328-F332 HydrophobicContact CD2-CD1 4.1Å; L328-F332 HydrophobicContact CD2-CE1 4.23Å; H329-F332 HydrophobicContact CB-CB 4.43Å; H329-F332 WeakPolarHBondContact O-CB 3.33Å; H329-F332 PolarHBondContact O-N 2.7Å; Q330-F332 PolarHBondContact O-N 3.48Å; F332-R334 PolarHBondContact O-N 3.06Å; F332-Y335 AromaticContact CD2-CD1 3.93Å; F332-Y335 HydrophobicContact CD2-CD1 3.93Å; F332-Y335 HydrophobicContact CD2-CE1 4.33Å; F332-Y335 HydrophobicContact CE2-CD1 4.11Å; F332-Y335 HydrophobicContact CE2-CE1 4.08Å; F332-Y335 WeakPolarHBondContact O-CB 3.5Å; F332-Y335 PolarHBondContact O-N 3.05Å; F332-V336 HydrophobicContact CE1-CG2 4.41Å; F332-V336 HydrophobicContact CE2-CG2 4.47Å; F332-V336 HydrophobicContact CZ-CG2 4.28Å; F332-V336 WeakPolarHBondContact O-CG2 3.47Å; F332-V336 PolarHBondContact O-N 3.11Å; F332-F364 HydrophobicContact CZ-CB 4.02Å; F332-H368 AromaticContact CE2-CG 3.96Å; F332-H368 AromaticContact CE2-ND1 3.85Å
333	L	98.8	Very high	98.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.2	-40	176.4	-54.5	175.9	0	0	0	111.5	P170 F171 I287 L328 H329 Q330 D331 R337 F361	P170-L333 HydrophobicContact CB-CD1 3.67Å; F171-L333 HydrophobicContact CD1-CB 4.03Å; F171-L333 HydrophobicContact CE1-CB 4.31Å; F171-L333 WeakPolarHBondContact CE1-O 3.49Å; I287-L333 HydrophobicContact CG2-CD1 4.01Å; I287-L333 HydrophobicContact CG2-CD2 4.19Å; L328-L333 HydrophobicContact CB-CD2 4Å; L328-L333 HydrophobicContact CB-CG 4.38Å; L328-L333 HydrophobicContact CD1-CD2 3.79Å; H329-L333 WeakPolarHBondContact O-CG 3.11Å; H329-L333 PolarHBondContact O-N 3.02Å; H329-L333 VanDerWaalsContact O-N 3.13Å; Q330-L333 WeakPolarHBondContact O-CB 3.33Å; Q330-L333 PolarHBondContact O-N 2.87Å; D331-L333 VanDerWaalsContact C-N 3.3Å; D331-L333 PolarHBondContact O-N 2.71Å; L333-R337 PolarHBondContact O-N 3.31Å; L333-F361 HydrophobicContact CB-CE1 3.89Å; L333-F361 HydrophobicContact CB-CZ 4.14Å; L333-F361 HydrophobicContact CD2-CD1 3.39Å; L333-F361 HydrophobicContact CD2-CD2 4.28Å; L333-F361 HydrophobicContact CD2-CE1 3.41Å; L333-F361 VanDerWaalsContact CD2-CE1 3.41Å; L333-F361 HydrophobicContact CD2-CE2 4.28Å; L333-F361 HydrophobicContact CD2-CG 3.85Å; L333-F361 HydrophobicContact CD2-CZ 3.86Å; L333-F361 HydrophobicContact CG-CE1 4.25Å
334	R	98.4	Very high	98.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62	-48.1	173.9	-76.5	175.6	64.4	-131.1	0.9	111.2	F112 E113 I115 Y116 R163 F167 F171 Q330 D331 F332 V336 R337 N338	F112-R334 PolarHBondContact O-NH2 3.28Å; E113-R334 PolarHBondContact O-NH2 2.84Å; I115-R334 PolarHBondContact O-NH1 2.9Å; Y116-R334 HydrophobicContact CD1-CB 4.29Å; Y116-R334 HydrophobicContact CE1-CB 3.81Å; R163-R334 VanDerWaalsContact NH1-NH1 3.16Å; F167-R334 VanDerWaalsContact CE1-NH2 3.29Å; F171-R334 HydrophobicContact CB-CG 3.54Å; F171-R334 HydrophobicContact CD1-CG 4.19Å; F171-R334 HydrophobicContact CG-CG 4.29Å; F171-R334 WeakPolarHBondContact O-CD 3.14Å; F171-R334 WeakPolarHBondContact O-CG 3.45Å; Q330-R334 WeakPolarHBondContact O-CG 3.4Å; Q330-R334 PolarHBondContact O-N 3.44Å; D331-R334 WeakPolarHBondContact O-CB 3.21Å; D331-R334 PolarHBondContact O-N 2.99Å; D331-R334 IonicContact OD1-CZ 2.7Å; D331-R334 IonicContact OD1-NH1 3.11Å; D331-R334 PolarHBondContact OD1-NH1 3.01Å; F332-R334 PolarHBondContact O-N 3.06Å; R334-V336 PolarHBondContact O-N 3.4Å; R334-R337 PolarHBondContact O-N 2.89Å; R334-N338 VanDerWaalsContact O-CB 3.24Å; R334-N338 WeakPolarHBondContact O-CB 3.4Å; R334-N338 VanDerWaalsContact O-CG 3.27Å; R334-N338 PolarHBondContact O-N 2.59Å
335	Y	98.8	Very high	98.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-54.5	-51.6	178.7	152.1	-104.5	0	0	0	111	A142 F143 L144 I147 D331 F332 R337 N338 R339 F340 F364 H368	A142-Y335 WeakPolarHBondContact O-CE2 3.49Å; F143-Y335 WeakPolarHBondContact CA-OH 3.04Å; F143-Y335 WeakPolarHBondContact CD2-OH 3.48Å; L144-Y335 HydrophobicContact CB-CD2 4.33Å; L144-Y335 HydrophobicContact CB-CE2 3.85Å; L144-Y335 HydrophobicContact CD1-CD2 3.83Å; L144-Y335 HydrophobicContact CD1-CE2 4.09Å; L144-Y335 HydrophobicContact CG-CD2 4.1Å; L144-Y335 HydrophobicContact CG-CE2 3.82Å; L144-Y335 PolarHBondContact N-OH 3.14Å; I147-Y335 HydrophobicContact CD1-CG 4.33Å; I147-Y335 HydrophobicContact CG1-CD1 4.04Å; I147-Y335 HydrophobicContact CG1-CG 4.04Å; I147-Y335 HydrophobicContact CG2-CD1 4.24Å; I147-Y335 HydrophobicContact CG2-CE1 4.06Å; D331-Y335 WeakPolarHBondContact O-CB 3.45Å; D331-Y335 PolarHBondContact O-N 3.11Å; F332-Y335 AromaticContact CD2-CD1 3.93Å; F332-Y335 HydrophobicContact CD2-CD1 3.93Å; F332-Y335 HydrophobicContact CD2-CE1 4.33Å; F332-Y335 HydrophobicContact CE2-CD1 4.11Å; F332-Y335 HydrophobicContact CE2-CE1 4.08Å; F332-Y335 WeakPolarHBondContact O-CB 3.5Å; F332-Y335 PolarHBondContact O-N 3.05Å; Y335-R337 VanDerWaalsContact C-N 3.35Å; Y335-R337 PolarHBondContact O-N 2.83Å; Y335-N338 PolarHBondContact O-N 3.07Å; Y335-R339 HydrophobicContact CD2-CB 4.23Å; Y335-R339 HydrophobicContact CD2-CG 3.87Å; Y335-R339 HydrophobicContact CE2-CB 4.32Å; Y335-R339 HydrophobicContact CE2-CG 4.26Å; Y335-R339 VanDerWaalsContact O-CB 3.31Å; Y335-R339 WeakPolarHBondContact O-CB 3.24Å; Y335-R339 PolarHBondContact O-N 3.12Å; Y335-F340 HydrophobicContact CE1-CE2 4.37Å; Y335-F340 AromaticContact CE2-CE2 3.76Å; Y335-F340 HydrophobicContact CE2-CE2 3.76Å; Y335-F340 AromaticContact CZ-CE2 3.61Å; Y335-F364 HydrophobicContact CE1-CD1 4.48Å; Y335-H368 AromaticContact CE1-CE1 3.42Å; Y335-H368 VanDerWaalsContact CE1-CE1 3.42Å; Y335-H368 WeakPolarHBondContact CE1-CE1 3.41Å; Y335-H368 AromaticContact CE1-NE2 3.34Å; Y335-H368 VanDerWaalsContact CE1-NE2 3.34Å; Y335-H368 WeakPolarHBondContact CE1-NE2 3.46Å; Y335-H368 AromaticContact CZ-CE1 3.73Å; Y335-H368 AromaticContact CZ-NE2 3.46Å; Y335-H368 PolarHBondContact OH-CE1 3Å; Y335-H368 PolarHBondContact OH-NE2 3.21Å
336	V	98.8	Very high	98.2	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-57.9	-46.5	177.7	173.2	0	0	0	0	111.3	F332 R334 F340 L341 P356 F361 F364	F332-V336 HydrophobicContact CE1-CG2 4.41Å; F332-V336 HydrophobicContact CE2-CG2 4.47Å; F332-V336 HydrophobicContact CZ-CG2 4.28Å; F332-V336 WeakPolarHBondContact O-CG2 3.47Å; F332-V336 PolarHBondContact O-N 3.11Å; R334-V336 PolarHBondContact O-N 3.4Å; V336-F340 WeakPolarHBondContact O-CB 3.32Å; V336-F340 PolarHBondContact O-N 3.02Å; V336-L341 HydrophobicContact CG1-CD1 4.22Å; V336-L341 PolarHBondContact O-N 3.07Å; V336-L341 VanDerWaalsContact O-N 3.11Å; V336-P356 HydrophobicContact CG1-CG 4.25Å; V336-F361 HydrophobicContact CB-CD1 4.18Å; V336-F361 HydrophobicContact CB-CE1 3.96Å; V336-F361 HydrophobicContact CG1-CD1 4.07Å; V336-F361 HydrophobicContact CG1-CE1 4.01Å; V336-F361 HydrophobicContact CG2-CD1 4.33Å; V336-F364 HydrophobicContact CB-CD2 4.48Å; V336-F364 HydrophobicContact CB-CG 4.37Å; V336-F364 HydrophobicContact CG1-CB 4.43Å; V336-F364 HydrophobicContact CG1-CD2 3.55Å; V336-F364 HydrophobicContact CG1-CE2 3.92Å; V336-F364 HydrophobicContact CG1-CG 3.91Å; V336-F364 HydrophobicContact CG2-CB 3.58Å; V336-F364 HydrophobicContact CG2-CD1 3.9Å; V336-F364 HydrophobicContact CG2-CD2 4.14Å; V336-F364 HydrophobicContact CG2-CG 3.59Å
337	R	98.4	Very high	98.2	Very high	3 Å²	3	23.6 Å²	23.6	1%	0.011	12%	0.115	C	C	.	.	H	α-helix	trans	-62.5	-51.8	176.2	-179.8	-167.3	67	-173.9	5.1	111.5	E113 N168 F171 L333 R334 Y335 L341 K342 L346 P356	E113-R337 IonicContact OE1-NH2 2.67Å; E113-R337 PolarHBondContact OE1-NH2 3.13Å; N168-R337 PolarHBondContact OD1-NH1 3.2Å; F171-R337 HydrophobicContact CD1-CB 4.42Å; F171-R337 HydrophobicContact CE1-CB 3.73Å; F171-R337 HydrophobicContact CE1-CG 4.28Å; F171-R337 VanDerWaalsContact CG-NH1 3.34Å; F171-R337 HydrophobicContact CZ-CB 4.12Å; F171-R337 HydrophobicContact CZ-CG 4.2Å; L333-R337 PolarHBondContact O-N 3.31Å; R334-R337 PolarHBondContact O-N 2.89Å; Y335-R337 VanDerWaalsContact C-N 3.35Å; Y335-R337 PolarHBondContact O-N 2.83Å; R337-L341 CarbonylContact O-C 3.6Å; R337-L341 PolarHBondContact O-N 3Å; R337-K342 VanDerWaalsContact O-CA 3.24Å; R337-K342 WeakPolarHBondContact O-CA 2.93Å; R337-K342 WeakPolarHBondContact O-CB 3.42Å; R337-K342 PolarHBondContact O-N 2.79Å; R337-L346 HydrophobicContact CG-CD1 4.46Å; R337-P356 HydrophobicContact CB-CG 4.27Å
338	N	97.9	Very high	98	Very high	22 Å²	22	30 Å²	30	12%	0.118	14%	0.139	C	C	.	.	H	α-helix	trans	-74.6	-35.8	-166.5	-73.6	-0.5	0	0	0	112.3	E113 Y116 R334 Y335	E113-N338 PolarHBondContact O-ND2 3.05Å; E113-N338 VanDerWaalsContact O-ND2 3.09Å; E113-N338 PolarHBondContact OE1-ND2 3.47Å; Y116-N338 WeakPolarHBondContact OH-CB 3.47Å; Y116-N338 PolarHBondContact OH-ND2 3.19Å; R334-N338 VanDerWaalsContact O-CB 3.24Å; R334-N338 WeakPolarHBondContact O-CB 3.4Å; R334-N338 VanDerWaalsContact O-CG 3.27Å; R334-N338 PolarHBondContact O-N 2.59Å; Y335-N338 PolarHBondContact O-N 3.07Å
339	R	98.1	Very high	97.9	Very high	77 Å²	77	33.4 Å²	33.4	29%	0.291	17%	0.174	S	C	.	.	H	α-helix	trans	-96.3	-24.7	-173	-62.6	-95.2	178.9	153.2	6.5	113.4	D114 K141 Y335	D114-R339 IonicContact OD1-CZ 3.48Å; D114-R339 IonicContact OD1-NE 3.24Å; D114-R339 PolarHBondContact OD1-NE 2.77Å; D114-R339 IonicContact OD1-NH2 3.93Å; D114-R339 PolarHBondContact OD1-NH2 2.94Å; D114-R339 VanDerWaalsContact OD1-NH2 3.08Å; D114-R339 IonicContact OD2-CZ 3.83Å; D114-R339 VanDerWaalsContact OD2-CZ 3.24Å; D114-R339 IonicContact OD2-NE 3.52Å; D114-R339 IonicContact OD2-NH2 3.7Å; D114-R339 PolarHBondContact OD2-NH2 3.28Å; K141-R339 PolarHBondContact O-NH1 3.16Å; Y335-R339 HydrophobicContact CD2-CB 4.23Å; Y335-R339 HydrophobicContact CD2-CG 3.87Å; Y335-R339 HydrophobicContact CE2-CB 4.32Å; Y335-R339 HydrophobicContact CE2-CG 4.26Å; Y335-R339 VanDerWaalsContact O-CB 3.31Å; Y335-R339 WeakPolarHBondContact O-CB 3.24Å; Y335-R339 PolarHBondContact O-N 3.12Å
340	F	98.5	Very high	97.7	Very high	19 Å²	19	36.9 Å²	36.9	8%	0.083	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-34.1	-175.2	-63.1	-89.8	0	0	0	114.6	F139 A142 F143 Y335 V336 F364 L413	F139-F340 HydrophobicContact CD2-CE1 4.14Å; F139-F340 HydrophobicContact CE2-CE1 4.28Å; F139-F340 HydrophobicContact CE2-CZ 4.47Å; A142-F340 HydrophobicContact CB-CD1 4.45Å; A142-F340 HydrophobicContact CB-CE1 3.75Å; A142-F340 HydrophobicContact CB-CE2 4.09Å; A142-F340 HydrophobicContact CB-CZ 3.54Å; F143-F340 HydrophobicContact CB-CZ 4.38Å; Y335-F340 HydrophobicContact CE1-CE2 4.37Å; Y335-F340 AromaticContact CE2-CE2 3.76Å; Y335-F340 HydrophobicContact CE2-CE2 3.76Å; Y335-F340 AromaticContact CZ-CE2 3.61Å; V336-F340 WeakPolarHBondContact O-CB 3.32Å; V336-F340 PolarHBondContact O-N 3.02Å; F340-F364 HydrophobicContact CB-CE1 4.17Å; F340-F364 HydrophobicContact CB-CE2 4.17Å; F340-F364 HydrophobicContact CB-CZ 3.48Å; F340-F364 VanDerWaalsContact CB-CZ 3.48Å; F340-F364 AromaticContact CD1-CE1 3.81Å; F340-F364 HydrophobicContact CD1-CE1 3.81Å; F340-F364 AromaticContact CD1-CZ 3.56Å; F340-F364 HydrophobicContact CD1-CZ 3.56Å; F340-F364 HydrophobicContact CD2-CD1 4.37Å; F340-F364 AromaticContact CD2-CE1 3.38Å; F340-F364 HydrophobicContact CD2-CE1 3.38Å; F340-F364 AromaticContact CD2-CZ 3.64Å; F340-F364 HydrophobicContact CD2-CZ 3.64Å; F340-F364 AromaticContact CE1-CE1 3.97Å; F340-F364 HydrophobicContact CE1-CE1 3.97Å; F340-F364 HydrophobicContact CE1-CZ 4.16Å; F340-F364 HydrophobicContact CE2-CD1 4.49Å; F340-F364 AromaticContact CE2-CE1 3.59Å; F340-F364 HydrophobicContact CE2-CE1 3.59Å; F340-F364 HydrophobicContact CE2-CZ 4.25Å; F340-F364 AromaticContact CG-CE1 3.5Å; F340-F364 HydrophobicContact CG-CE1 3.5Å; F340-F364 HydrophobicContact CG-CE2 4.36Å; F340-F364 AromaticContact CG-CZ 3.26Å; F340-F364 HydrophobicContact CG-CZ 3.26Å; F340-F364 AromaticContact CZ-CE1 3.87Å; F340-F364 HydrophobicContact CZ-CE1 3.87Å; F340-F364 HydrophobicContact CZ-CZ 4.47Å; F340-L413 HydrophobicContact CB-CD2 3.97Å; F340-L413 HydrophobicContact CD1-CD1 4.28Å
341	L	98.4	Very high	97.7	Very high	9 Å²	9	37 Å²	37	5%	0.047	19%	0.188	C	C	.	.			trans	-129.5	44.5	-169.4	-68.6	172.4	0	0	0	113.1	V336 R337 S343 P356 A360 F364 M409 E410 L413	V336-L341 HydrophobicContact CG1-CD1 4.22Å; V336-L341 PolarHBondContact O-N 3.07Å; V336-L341 VanDerWaalsContact O-N 3.11Å; R337-L341 CarbonylContact O-C 3.6Å; R337-L341 PolarHBondContact O-N 3Å; L341-S343 VanDerWaalsContact C-N 3.34Å; L341-S343 PolarHBondContact O-N 3.4Å; L341-P356 HydrophobicContact CB-CG 3.96Å; L341-P356 HydrophobicContact CD1-CB 3.76Å; L341-P356 HydrophobicContact CD1-CG 3.95Å; L341-A360 HydrophobicContact CD1-CB 3.57Å; L341-F364 HydrophobicContact CD1-CE2 4.47Å; L341-M409 VanDerWaalsContact C-SD 3.56Å; L341-M409 HydrophobicContact CD2-CG 3.96Å; L341-M409 HydrophobicContact CD2-SD 4.43Å; L341-E410 HydrophobicContact CD1-CG 3.97Å; L341-E410 HydrophobicContact CD2-CB 4.47Å; L341-E410 HydrophobicContact CD2-CG 3.74Å; L341-L413 HydrophobicContact CD1-CD2 4.2Å; L341-L413 HydrophobicContact CD2-CB 4.24Å; L341-L413 HydrophobicContact CD2-CD2 3.58Å; L341-L413 HydrophobicContact CG-CD2 3.76Å
342	K	97.2	Very high	97.6	Very high	96 Å²	96	38.3 Å²	38.3	42%	0.417	20%	0.198	S	C	.	.			trans	-81.1	77.1	-177.8	-165	175.4	-177	176.2	0	111	R337 L346 M409	R337-K342 VanDerWaalsContact O-CA 3.24Å; R337-K342 WeakPolarHBondContact O-CA 2.93Å; R337-K342 WeakPolarHBondContact O-CB 3.42Å; R337-K342 PolarHBondContact O-N 2.79Å; K342-L346 HydrophobicContact CG-CD1 3.97Å; K342-M409 VanDerWaalsContact N-CE 3.27Å
343	S	97.9	Very high	97.5	Very high	5 Å²	5	42.6 Å²	42.6	4%	0.035	22%	0.221	C	C	.	.			trans	-62.1	141.9	-176.8	176.9	0	0	0	0	113.4	L341 N345 L346 D406	L341-S343 VanDerWaalsContact C-N 3.34Å; L341-S343 PolarHBondContact O-N 3.4Å; S343-N345 PolarHBondContact O-N 3.19Å; S343-N345 VanDerWaalsContact O-N 3.13Å; S343-N345 WeakPolarHBondContact OG-CB 3.16Å; S343-N345 PolarHBondContact OG-N 3.34Å; S343-N345 VanDerWaalsContact OG-N 3.1Å; S343-N345 PolarHBondContact OG-ND2 3.4Å; S343-L346 VanDerWaalsContact O-CB 3.27Å; S343-L346 WeakPolarHBondContact O-CB 3.21Å; S343-L346 WeakPolarHBondContact O-CD1 3.31Å; S343-L346 VanDerWaalsContact O-CG 3.23Å; S343-L346 WeakPolarHBondContact O-CG 3.49Å; S343-L346 PolarHBondContact O-N 3.45Å; S343-D406 WeakPolarHBondContact CB-OD2 3.43Å; S343-D406 PolarHBondContact OG-OD2 3.26Å
344	N	96.8	Very high	97.4	Very high	129 Å²	129	42.9 Å²	42.9	69%	0.69	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-62.2	-17.2	171.1	-74.7	-32	0	0	0	113.4	L346 N347	N344-L346 PolarHBondContact O-N 2.92Å; N344-N347 WeakPolarHBondContact O-CB 3.46Å; N344-N347 PolarHBondContact O-N 3.28Å
345	N	96.9	Very high	97.4	Very high	24 Å²	24	43.7 Å²	43.7	13%	0.128	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-62.5	-18.1	173	-70.7	-37.3	0	0	0	112.9	S343 N347 R348 Y350 V354	S343-N345 PolarHBondContact O-N 3.19Å; S343-N345 VanDerWaalsContact O-N 3.13Å; S343-N345 WeakPolarHBondContact OG-CB 3.16Å; S343-N345 PolarHBondContact OG-N 3.34Å; S343-N345 VanDerWaalsContact OG-N 3.1Å; S343-N345 PolarHBondContact OG-ND2 3.4Å; N345-N347 PolarHBondContact O-N 3.16Å; N345-R348 WeakPolarHBondContact O-CB 3.42Å; N345-R348 PolarHBondContact O-N 2.77Å; N345-R348 VanDerWaalsContact O-N 3.09Å; N345-Y350 HydrophobicContact CB-CE2 3.9Å; N345-Y350 PolarHBondContact OD1-OH 3.31Å; N345-V354 HydrophobicContact CB-CG1 4.14Å; N345-V354 HydrophobicContact CB-CG2 3.79Å
346	L	97.3	Very high	97.4	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.031	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-63.7	-17.1	172.4	-65.7	167.6	0	0	0	113	K106 L107 R337 K342 S343 N344 R348 W351 V354	K106-L346 WeakPolarHBondContact CB-O 3.41Å; L107-L346 HydrophobicContact CB-CB 3.99Å; L107-L346 HydrophobicContact CB-CD2 4.29Å; L107-L346 HydrophobicContact CD1-CD2 4.47Å; L107-L346 HydrophobicContact CD2-CB 4.33Å; L107-L346 HydrophobicContact CD2-CD1 3.98Å; L107-L346 HydrophobicContact CD2-CD2 4.11Å; L107-L346 HydrophobicContact CD2-CG 4.36Å; L107-L346 PolarHBondContact N-O 3.39Å; R337-L346 HydrophobicContact CG-CD1 4.46Å; K342-L346 HydrophobicContact CG-CD1 3.97Å; S343-L346 VanDerWaalsContact O-CB 3.27Å; S343-L346 WeakPolarHBondContact O-CB 3.21Å; S343-L346 WeakPolarHBondContact O-CD1 3.31Å; S343-L346 VanDerWaalsContact O-CG 3.23Å; S343-L346 WeakPolarHBondContact O-CG 3.49Å; S343-L346 PolarHBondContact O-N 3.45Å; N344-L346 PolarHBondContact O-N 2.92Å; L346-R348 VanDerWaalsContact C-N 3.35Å; L346-W351 VanDerWaalsContact O-CB 3.26Å; L346-W351 WeakPolarHBondContact O-CB 3.44Å; L346-V354 HydrophobicContact CD2-CB 3.85Å; L346-V354 HydrophobicContact CD2-CG1 3.89Å; L346-V354 HydrophobicContact CG-CG1 4.12Å
347	N	97.3	Very high	97.4	Very high	103 Å²	103	44.7 Å²	44.7	55%	0.551	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-88.6	2.9	175.2	-66.9	-50	0	0	0	113.9	N344 N345	N344-N347 WeakPolarHBondContact O-CB 3.46Å; N344-N347 PolarHBondContact O-N 3.28Å; N345-N347 PolarHBondContact O-N 3.16Å
348	R	95.9	Very high	97.4	Very high	137 Å²	137	45.2 Å²	45.2	52%	0.517	23%	0.234	S	C	.	.	S	Bend	trans	-105.6	164.9	-174.7	-60.5	-179.4	173.3	-157.8	-2.1	111.9	K105 N345 L346 Y350 W351	K105-R348 CarbonylContact O-C 3.25Å; N345-R348 WeakPolarHBondContact O-CB 3.42Å; N345-R348 PolarHBondContact O-N 2.77Å; N345-R348 VanDerWaalsContact O-N 3.09Å; L346-R348 VanDerWaalsContact C-N 3.35Å; R348-Y350 HydrophobicContact CB-CD1 4.06Å; R348-Y350 HydrophobicContact CB-CE1 3.75Å; R348-Y350 VanDerWaalsContact CD-CZ 3.45Å; R348-Y350 WeakPolarHBondContact CD-OH 3.49Å; R348-Y350 HydrophobicContact CG-CE1 4.35Å; R348-Y350 PolarHBondContact NH1-OH 3.02Å; R348-Y350 PolarHBondContact O-N 2.93Å; R348-W351 VanDerWaalsContact O-CB 3.27Å; R348-W351 WeakPolarHBondContact O-CB 3.32Å; R348-W351 PolarHBondContact O-N 2.58Å
349	G	95.1	Very high	97.4	Very high	71 Å²	71	44.6 Å²	44.6	73%	0.732	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.8	-178.7	0	0	0	0	0	115.5	K105	K105-G349 WeakPolarHBondContact O-CA 3.48Å
350	Y	95.7	Very high	97.4	Very high	73 Å²	73	40.9 Å²	40.9	29%	0.286	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	17.2	175.1	59.4	-95	0	0	0	113.4	N345 R348 A352 I353 V354 S403	N345-Y350 HydrophobicContact CB-CE2 3.9Å; N345-Y350 PolarHBondContact OD1-OH 3.31Å; R348-Y350 HydrophobicContact CB-CD1 4.06Å; R348-Y350 HydrophobicContact CB-CE1 3.75Å; R348-Y350 VanDerWaalsContact CD-CZ 3.45Å; R348-Y350 WeakPolarHBondContact CD-OH 3.49Å; R348-Y350 HydrophobicContact CG-CE1 4.35Å; R348-Y350 PolarHBondContact NH1-OH 3.02Å; R348-Y350 PolarHBondContact O-N 2.93Å; Y350-A352 PolarHBondContact O-N 2.88Å; Y350-I353 HydrophobicContact CD2-CG1 4.44Å; Y350-I353 WeakPolarHBondContact O-CG1 3.41Å; Y350-I353 PolarHBondContact O-N 3.18Å; Y350-V354 HydrophobicContact CD2-CG2 3.88Å; Y350-V354 HydrophobicContact CE2-CG2 4.04Å; Y350-S403 WeakPolarHBondContact CE2-O 3.17Å
351	W	97.3	Very high	97.5	Very high	4 Å²	4	40 Å²	40	2%	0.015	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-46.5	-36	-178.9	67.5	-87.7	0	0	0	114	K101 F104 K106 L107 P108 N168 M174 L346 R348 I353 V354	K101-W351 HydrophobicContact CB-CH2 4.26Å; K101-W351 HydrophobicContact CB-CZ2 3.99Å; K101-W351 HydrophobicContact CG-CH2 4.03Å; K101-W351 HydrophobicContact CG-CZ2 4.27Å; F104-W351 HydrophobicContact CB-CZ2 3.79Å; F104-W351 HydrophobicContact CD2-CZ2 4.29Å; F104-W351 HydrophobicContact CG-CZ2 4.46Å; F104-W351 PolarHBondContact O-NE1 3.17Å; K106-W351 VanDerWaalsContact C-CG 3.4Å; L107-W351 HydrophobicContact CB-CE3 4.11Å; L107-W351 HydrophobicContact CD1-CE3 3.76Å; L107-W351 HydrophobicContact CD1-CZ3 3.81Å; P108-W351 HydrophobicContact CG-CH2 4.29Å; N168-W351 HydrophobicContact CB-CH2 4.01Å; N168-W351 HydrophobicContact CB-CZ3 3.66Å; N168-W351 VanDerWaalsContact CG-CZ3 3.5Å; M174-W351 HydrophobicContact SD-CH2 4.03Å; L346-W351 VanDerWaalsContact O-CB 3.26Å; L346-W351 WeakPolarHBondContact O-CB 3.44Å; R348-W351 VanDerWaalsContact O-CB 3.27Å; R348-W351 WeakPolarHBondContact O-CB 3.32Å; R348-W351 PolarHBondContact O-N 2.58Å; W351-I353 PolarHBondContact O-N 3.13Å; W351-V354 WeakPolarHBondContact O-CB 3.14Å; W351-V354 PolarHBondContact O-N 3.21Å
352	A	97.1	Very high	97.5	Very high	26 Å²	26	39.6 Å²	39.6	22%	0.215	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-64	-23.7	-172.9	0	0	0	0	0	114.5	K101 N168 Y350	K101-A352 HydrophobicContact CB-CB 4.45Å; K101-A352 HydrophobicContact CD-CB 4.03Å; K101-A352 HydrophobicContact CG-CB 4.42Å; N168-A352 PolarHBondContact ND2-O 3.16Å; Y350-A352 PolarHBondContact O-N 2.88Å
353	I	95.9	Very high	97.6	Very high	91 Å²	91	35 Å²	35	47%	0.467	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-95.3	-11.2	176.8	62.7	168.8	0	0	0	112.6	Y350 W351 R355 N404	Y350-I353 HydrophobicContact CD2-CG1 4.44Å; Y350-I353 WeakPolarHBondContact O-CG1 3.41Å; Y350-I353 PolarHBondContact O-N 3.18Å; W351-I353 PolarHBondContact O-N 3.13Å; I353-R355 PolarHBondContact O-N 3.08Å; I353-N404 HydrophobicContact CB-CB 4.17Å; I353-N404 HydrophobicContact CD1-CB 4.04Å; I353-N404 HydrophobicContact CG1-CB 4.12Å; I353-N404 VanDerWaalsContact O-CB 3.3Å; I353-N404 WeakPolarHBondContact O-CB 3.46Å
354	V	98	Very high	97.6	Very high	6 Å²	6	34.8 Å²	34.8	4%	0.036	19%	0.192	C	C	.	.			trans	-70.8	121.4	-175.8	-179.5	0	0	0	0	109.8	N345 L346 Y350 W351 N404	N345-V354 HydrophobicContact CB-CG1 4.14Å; N345-V354 HydrophobicContact CB-CG2 3.79Å; L346-V354 HydrophobicContact CD2-CB 3.85Å; L346-V354 HydrophobicContact CD2-CG1 3.89Å; L346-V354 HydrophobicContact CG-CG1 4.12Å; Y350-V354 HydrophobicContact CD2-CG2 3.88Å; Y350-V354 HydrophobicContact CE2-CG2 4.04Å; W351-V354 WeakPolarHBondContact O-CB 3.14Å; W351-V354 PolarHBondContact O-N 3.21Å; V354-N404 CarbonylContact C-O 3.57Å; V354-N404 WeakPolarHBondContact CA-O 3.32Å
355	R	97.9	Very high	97.7	Very high	17 Å²	17	28.6 Å²	28.6	6%	0.064	16%	0.159	C	C	.	.			trans	-151.8	155.3	177.7	58.7	176.7	-100.6	119	-1.2	111.3	F171 E289 I353 N358 N404 H405	F171-R355 HydrophobicContact CE2-CB 4.14Å; F171-R355 HydrophobicContact CZ-CB 3.72Å; E289-R355 IonicContact OE1-CZ 3.38Å; E289-R355 IonicContact OE1-NE 3.53Å; E289-R355 PolarHBondContact OE1-NE 3.12Å; E289-R355 IonicContact OE1-NH1 3.08Å; E289-R355 PolarHBondContact OE1-NH1 3.37Å; E289-R355 IonicContact OE1-NH2 2.62Å; E289-R355 PolarHBondContact OE1-NH2 3.4Å; I353-R355 PolarHBondContact O-N 3.08Å; R355-N358 PolarHBondContact NH2-OD1 3.02Å; R355-N404 PolarHBondContact N-O 3.43Å; R355-H405 PolarHBondContact O-ND1 2.87Å
356	P	98.6	Very high	97.8	Very high	4 Å²	4	27.5 Å²	27.5	3%	0.026	15%	0.153	C	C	.	.			trans	-53.9	152.2	161.2	-25.3	35.1	0	0	0	112.2	V336 R337 L341 A360 F361 E410	V336-P356 HydrophobicContact CG1-CG 4.25Å; R337-P356 HydrophobicContact CB-CG 4.27Å; L341-P356 HydrophobicContact CB-CG 3.96Å; L341-P356 HydrophobicContact CD1-CB 3.76Å; L341-P356 HydrophobicContact CD1-CG 3.95Å; P356-A360 HydrophobicContact CB-CB 3.75Å; P356-F361 HydrophobicContact CB-CD2 4.38Å; P356-F361 HydrophobicContact CB-CE1 4.17Å; P356-F361 HydrophobicContact CB-CE2 3.89Å; P356-F361 HydrophobicContact CB-CZ 3.79Å; P356-F361 HydrophobicContact CG-CE1 4.14Å; P356-F361 HydrophobicContact CG-CE2 4.38Å; P356-F361 HydrophobicContact CG-CZ 3.81Å; P356-F361 WeakPolarHBondContact O-CE2 3.1Å; P356-E410 WeakPolarHBondContact CA-OE1 3.1Å
357	T	98.6	Very high	97.9	Very high	17 Å²	17	27.2 Å²	27.2	10%	0.104	15%	0.151	C	C	.	.			trans	-66.8	161.3	174.2	67	0	0	0	0	111.2	G359 A360 F361 H405 Y407 E410	T357-G359 PolarHBondContact O-N 3.5Å; T357-G359 WeakPolarHBondContact OG1-CA 3Å; T357-G359 PolarHBondContact OG1-N 3.38Å; T357-A360 PolarHBondContact O-N 3.49Å; T357-A360 VanDerWaalsContact O-N 3.1Å; T357-A360 PolarHBondContact OG1-N 3.31Å; T357-F361 VanDerWaalsContact O-CD2 3.3Å; T357-F361 WeakPolarHBondContact O-CD2 3.13Å; T357-F361 PolarHBondContact O-N 3.38Å; T357-F361 VanDerWaalsContact O-N 3.11Å; T357-H405 HydrophobicContact CG2-CB 3.91Å; T357-Y407 HydrophobicContact CG2-CD1 4.3Å; T357-Y407 HydrophobicContact CG2-CE1 3.82Å; T357-E410 WeakPolarHBondContact CB-OE2 3.49Å; T357-E410 WeakPolarHBondContact CG2-OE1 3.44Å; T357-E410 WeakPolarHBondContact CG2-OE2 3.37Å; T357-E410 PolarHBondContact N-OE1 3.26Å; T357-E410 PolarHBondContact OG1-OE1 2.99Å; T357-E410 PolarHBondContact OG1-OE2 3.29Å
358	N	98.6	Very high	97.9	Very high	13 Å²	13	22.8 Å²	22.8	7%	0.07	13%	0.127	C	C	.	.	H	α-helix	trans	-57.3	-30.4	166.8	-65.3	-4.7	0	0	0	111.1	N236 I287 R355 F361 T362	N236-N358 PolarHBondContact OD1-ND2 3.23Å; I287-N358 HydrophobicContact CD1-CB 4.13Å; R355-N358 PolarHBondContact NH2-OD1 3.02Å; N358-F361 PolarHBondContact O-N 3.3Å; N358-T362 WeakPolarHBondContact O-CB 3.41Å; N358-T362 PolarHBondContact O-N 3.26Å; N358-T362 PolarHBondContact O-OG1 2.9Å
359	G	98.6	Very high	97.9	Very high	9 Å²	9	17.2 Å²	17.2	9%	0.093	11%	0.111	C	C	.	.	H	α-helix	trans	-47.6	-62	166.7	0	0	0	0	0	112.5	M235 T357 F361 T362 V363	M235-G359 WeakPolarHBondContact SD-CA 3.03Å; T357-G359 PolarHBondContact O-N 3.5Å; T357-G359 WeakPolarHBondContact OG1-CA 3Å; T357-G359 PolarHBondContact OG1-N 3.38Å; G359-F361 PolarHBondContact O-N 2.94Å; G359-T362 WeakPolarHBondContact O-CB 3.33Å; G359-T362 PolarHBondContact O-N 3.43Å; G359-T362 VanDerWaalsContact O-N 3.12Å; G359-V363 PolarHBondContact O-N 3.15Å
360	A	98.8	Very high	98	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.8	-48.1	-179.4	0	0	0	0	0	112.4	L341 P356 T357 T362 V363 F364 E410 W414	L341-A360 HydrophobicContact CD1-CB 3.57Å; P356-A360 HydrophobicContact CB-CB 3.75Å; T357-A360 PolarHBondContact O-N 3.49Å; T357-A360 VanDerWaalsContact O-N 3.1Å; T357-A360 PolarHBondContact OG1-N 3.31Å; A360-T362 PolarHBondContact O-N 3.08Å; A360-V363 PolarHBondContact O-N 2.67Å; A360-F364 WeakPolarHBondContact O-CD2 3.38Å; A360-F364 PolarHBondContact O-N 3.32Å; A360-E410 HydrophobicContact CB-CG 4.38Å; A360-W414 HydrophobicContact CB-CH2 3.77Å; A360-W414 HydrophobicContact CB-CZ2 3.8Å
361	F	98.9	Very high	98	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.8	-31.8	177.7	-68.6	-56.4	0	0	0	112.9	F171 I287 L328 L333 V336 P356 T357 N358 G359 T365	F171-F361 HydrophobicContact CE1-CZ 4.22Å; I287-F361 HydrophobicContact CD1-CB 3.93Å; I287-F361 HydrophobicContact CD1-CD2 4.06Å; I287-F361 HydrophobicContact CD1-CG 4.35Å; L328-F361 HydrophobicContact CD1-CB 4.34Å; L333-F361 HydrophobicContact CB-CE1 3.89Å; L333-F361 HydrophobicContact CB-CZ 4.14Å; L333-F361 HydrophobicContact CD2-CD1 3.39Å; L333-F361 HydrophobicContact CD2-CD2 4.28Å; L333-F361 HydrophobicContact CD2-CE1 3.41Å; L333-F361 VanDerWaalsContact CD2-CE1 3.41Å; L333-F361 HydrophobicContact CD2-CE2 4.28Å; L333-F361 HydrophobicContact CD2-CG 3.85Å; L333-F361 HydrophobicContact CD2-CZ 3.86Å; L333-F361 HydrophobicContact CG-CE1 4.25Å; V336-F361 HydrophobicContact CB-CD1 4.18Å; V336-F361 HydrophobicContact CB-CE1 3.96Å; V336-F361 HydrophobicContact CG1-CD1 4.07Å; V336-F361 HydrophobicContact CG1-CE1 4.01Å; V336-F361 HydrophobicContact CG2-CD1 4.33Å; P356-F361 HydrophobicContact CB-CD2 4.38Å; P356-F361 HydrophobicContact CB-CE1 4.17Å; P356-F361 HydrophobicContact CB-CE2 3.89Å; P356-F361 HydrophobicContact CB-CZ 3.79Å; P356-F361 HydrophobicContact CG-CE1 4.14Å; P356-F361 HydrophobicContact CG-CE2 4.38Å; P356-F361 HydrophobicContact CG-CZ 3.81Å; P356-F361 WeakPolarHBondContact O-CE2 3.1Å; T357-F361 VanDerWaalsContact O-CD2 3.3Å; T357-F361 WeakPolarHBondContact O-CD2 3.13Å; T357-F361 PolarHBondContact O-N 3.38Å; T357-F361 VanDerWaalsContact O-N 3.11Å; N358-F361 PolarHBondContact O-N 3.3Å; G359-F361 PolarHBondContact O-N 2.94Å; F361-T365 WeakPolarHBondContact O-CB 3.34Å; F361-T365 PolarHBondContact O-N 3.15Å; F361-T365 PolarHBondContact O-OG1 2.72Å
362	T	98.9	Very high	98.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-70.9	-43.6	176	-54.1	0	0	0	0	111.7	V210 F233 M235 V255 N358 G359 A360 F364 T365 A366	V210-T362 HydrophobicContact CG1-CG2 3.79Å; F233-T362 HydrophobicContact CB-CG2 3.94Å; F233-T362 HydrophobicContact CD1-CG2 4.27Å; M235-T362 HydrophobicContact CE-CG2 3.53Å; M235-T362 VanDerWaalsContact SD-CB 3.54Å; M235-T362 HydrophobicContact SD-CG2 4Å; M235-T362 PolarHBondContact SD-OG1 3.32Å; V255-T362 HydrophobicContact CB-CG2 4.22Å; V255-T362 VanDerWaalsContact CB-OG1 3.29Å; V255-T362 WeakPolarHBondContact CB-OG1 3.34Å; V255-T362 WeakPolarHBondContact CG1-OG1 3.5Å; V255-T362 HydrophobicContact CG2-CG2 3.59Å; N358-T362 WeakPolarHBondContact O-CB 3.41Å; N358-T362 PolarHBondContact O-N 3.26Å; N358-T362 PolarHBondContact O-OG1 2.9Å; G359-T362 WeakPolarHBondContact O-CB 3.33Å; G359-T362 PolarHBondContact O-N 3.43Å; G359-T362 VanDerWaalsContact O-N 3.12Å; A360-T362 PolarHBondContact O-N 3.08Å; T362-F364 VanDerWaalsContact C-N 3.34Å; T362-F364 PolarHBondContact O-N 2.86Å; T362-T365 WeakPolarHBondContact O-CB 3.26Å; T362-T365 PolarHBondContact O-N 3.35Å; T362-A366 PolarHBondContact O-N 3.16Å
363	V	98.9	Very high	98.2	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-57.2	-49.3	173.4	174.4	0	0	0	0	110.2	V210 G359 A360 T365 A366 L367 F378 W414	V210-V363 HydrophobicContact CG1-CG2 4.13Å; G359-V363 PolarHBondContact O-N 3.15Å; A360-V363 PolarHBondContact O-N 2.67Å; V363-T365 VanDerWaalsContact C-N 3.31Å; V363-T365 PolarHBondContact O-N 3.31Å; V363-A366 WeakPolarHBondContact O-CB 3.24Å; V363-A366 PolarHBondContact O-N 2.79Å; V363-A366 VanDerWaalsContact O-N 3.11Å; V363-L367 HydrophobicContact CG1-CD1 4.12Å; V363-L367 HydrophobicContact CG1-CG 4.24Å; V363-L367 WeakPolarHBondContact O-CG 3.45Å; V363-L367 PolarHBondContact O-N 3.32Å; V363-F378 HydrophobicContact CG2-CD1 4.25Å; V363-F378 HydrophobicContact CG2-CE1 3.42Å; V363-F378 VanDerWaalsContact CG2-CE1 3.42Å; V363-F378 HydrophobicContact CG2-CE2 4.09Å; V363-F378 HydrophobicContact CG2-CZ 3.34Å; V363-W414 HydrophobicContact CB-CH2 4.04Å; V363-W414 HydrophobicContact CB-CZ3 3.94Å; V363-W414 HydrophobicContact CG1-CE3 4.19Å; V363-W414 HydrophobicContact CG1-CH2 4.24Å; V363-W414 HydrophobicContact CG1-CZ3 3.62Å; V363-W414 HydrophobicContact CG2-CH2 4.19Å; V363-W414 HydrophobicContact CG2-CZ3 4.19Å
364	F	98.9	Very high	98.3	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-65.9	-32.8	179.4	-84.4	-84.6	0	0	0	113.3	F332 Y335 V336 F340 L341 A360 T362 A366 L367 H368 L413 W414	F332-F364 HydrophobicContact CZ-CB 4.02Å; Y335-F364 HydrophobicContact CE1-CD1 4.48Å; V336-F364 HydrophobicContact CB-CD2 4.48Å; V336-F364 HydrophobicContact CB-CG 4.37Å; V336-F364 HydrophobicContact CG1-CB 4.43Å; V336-F364 HydrophobicContact CG1-CD2 3.55Å; V336-F364 HydrophobicContact CG1-CE2 3.92Å; V336-F364 HydrophobicContact CG1-CG 3.91Å; V336-F364 HydrophobicContact CG2-CB 3.58Å; V336-F364 HydrophobicContact CG2-CD1 3.9Å; V336-F364 HydrophobicContact CG2-CD2 4.14Å; V336-F364 HydrophobicContact CG2-CG 3.59Å; F340-F364 HydrophobicContact CB-CE1 4.17Å; F340-F364 HydrophobicContact CB-CE2 4.17Å; F340-F364 HydrophobicContact CB-CZ 3.48Å; F340-F364 VanDerWaalsContact CB-CZ 3.48Å; F340-F364 AromaticContact CD1-CE1 3.81Å; F340-F364 HydrophobicContact CD1-CE1 3.81Å; F340-F364 AromaticContact CD1-CZ 3.56Å; F340-F364 HydrophobicContact CD1-CZ 3.56Å; F340-F364 HydrophobicContact CD2-CD1 4.37Å; F340-F364 AromaticContact CD2-CE1 3.38Å; F340-F364 HydrophobicContact CD2-CE1 3.38Å; F340-F364 AromaticContact CD2-CZ 3.64Å; F340-F364 HydrophobicContact CD2-CZ 3.64Å; F340-F364 AromaticContact CE1-CE1 3.97Å; F340-F364 HydrophobicContact CE1-CE1 3.97Å; F340-F364 HydrophobicContact CE1-CZ 4.16Å; F340-F364 HydrophobicContact CE2-CD1 4.49Å; F340-F364 AromaticContact CE2-CE1 3.59Å; F340-F364 HydrophobicContact CE2-CE1 3.59Å; F340-F364 HydrophobicContact CE2-CZ 4.25Å; F340-F364 AromaticContact CG-CE1 3.5Å; F340-F364 HydrophobicContact CG-CE1 3.5Å; F340-F364 HydrophobicContact CG-CE2 4.36Å; F340-F364 AromaticContact CG-CZ 3.26Å; F340-F364 HydrophobicContact CG-CZ 3.26Å; F340-F364 AromaticContact CZ-CE1 3.87Å; F340-F364 HydrophobicContact CZ-CE1 3.87Å; F340-F364 HydrophobicContact CZ-CZ 4.47Å; L341-F364 HydrophobicContact CD1-CE2 4.47Å; A360-F364 WeakPolarHBondContact O-CD2 3.38Å; A360-F364 PolarHBondContact O-N 3.32Å; T362-F364 VanDerWaalsContact C-N 3.34Å; T362-F364 PolarHBondContact O-N 2.86Å; F364-A366 VanDerWaalsContact C-N 3.33Å; F364-L367 HydrophobicContact CD1-CD1 3.96Å; F364-L367 HydrophobicContact CE1-CD1 3.98Å; F364-L367 HydrophobicContact CG-CD1 4.34Å; F364-L367 HydrophobicContact CZ-CD1 4.39Å; F364-L367 PolarHBondContact O-N 3.23Å; F364-H368 PolarHBondContact O-N 2.83Å; F364-H368 PolarHBondContact O-ND1 2.84Å; F364-L413 HydrophobicContact CE2-CD2 3.86Å; F364-L413 HydrophobicContact CZ-CD2 3.98Å; F364-W414 HydrophobicContact CE2-CH2 4.27Å; F364-W414 HydrophobicContact CE2-CZ3 4.22Å
365	T	98.8	Very high	98.3	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61.2	-44.7	171.8	-58.6	0	0	0	0	110.4	M149 L195 F233 F361 T362 V363 H368 A369	M149-T365 HydrophobicContact CE-CG2 3.72Å; L195-T365 HydrophobicContact CD2-CG2 4.02Å; F233-T365 HydrophobicContact CE1-CG2 4.1Å; F361-T365 WeakPolarHBondContact O-CB 3.34Å; F361-T365 PolarHBondContact O-N 3.15Å; F361-T365 PolarHBondContact O-OG1 2.72Å; T362-T365 WeakPolarHBondContact O-CB 3.26Å; T362-T365 PolarHBondContact O-N 3.35Å; V363-T365 VanDerWaalsContact C-N 3.31Å; V363-T365 PolarHBondContact O-N 3.31Å; T365-H368 PolarHBondContact O-N 3.01Å; T365-A369 WeakPolarHBondContact O-CB 3.49Å; T365-A369 PolarHBondContact O-N 3.5Å; T365-A369 VanDerWaalsContact O-N 3.16Å
366	A	98.8	Very high	98.4	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-65.9	-42.6	175.7	0	0	0	0	0	112.3	V210 F233 T362 V363 F364 H368 A369 C370 V373	V210-A366 HydrophobicContact CG2-CB 3.43Å; V210-A366 VanDerWaalsContact CG2-CB 3.43Å; F233-A366 HydrophobicContact CD1-CB 4.41Å; F233-A366 HydrophobicContact CD2-CB 4.3Å; F233-A366 HydrophobicContact CE1-CB 4.34Å; F233-A366 HydrophobicContact CE2-CB 4.25Å; F233-A366 HydrophobicContact CG-CB 4.4Å; F233-A366 HydrophobicContact CZ-CB 4.27Å; T362-A366 PolarHBondContact O-N 3.16Å; V363-A366 WeakPolarHBondContact O-CB 3.24Å; V363-A366 PolarHBondContact O-N 2.79Å; V363-A366 VanDerWaalsContact O-N 3.11Å; F364-A366 VanDerWaalsContact C-N 3.33Å; A366-H368 PolarHBondContact O-N 2.8Å; A366-H368 VanDerWaalsContact O-N 3.15Å; A366-A369 PolarHBondContact O-N 2.86Å; A366-C370 VanDerWaalsContact O-CB 3.25Å; A366-C370 WeakPolarHBondContact O-CB 3.32Å; A366-C370 PolarHBondContact O-N 3.07Å; A366-C370 PolarHBondContact O-SG 3Å; A366-V373 HydrophobicContact CB-CG1 4.28Å; A366-V373 HydrophobicContact CB-CG2 4.22Å
367	L	98.5	Very high	98.4	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-57.5	-30.2	177.1	-70.4	176.6	0	0	0	113.1	L131 F143 V363 F364 V373 L417 I422 I423	L131-L367 WeakPolarHBondContact CD1-O 3.47Å; L131-L367 HydrophobicContact CD2-CB 4.47Å; L131-L367 HydrophobicContact CD2-CD2 3.76Å; F143-L367 HydrophobicContact CE2-CB 4.36Å; V363-L367 HydrophobicContact CG1-CD1 4.12Å; V363-L367 HydrophobicContact CG1-CG 4.24Å; V363-L367 WeakPolarHBondContact O-CG 3.45Å; V363-L367 PolarHBondContact O-N 3.32Å; F364-L367 HydrophobicContact CD1-CD1 3.96Å; F364-L367 HydrophobicContact CE1-CD1 3.98Å; F364-L367 HydrophobicContact CG-CD1 4.34Å; F364-L367 HydrophobicContact CZ-CD1 4.39Å; F364-L367 PolarHBondContact O-N 3.23Å; L367-V373 HydrophobicContact CD2-CB 4.34Å; L367-V373 HydrophobicContact CD2-CG2 4.18Å; L367-L417 HydrophobicContact CD1-CD1 4.36Å; L367-I422 HydrophobicContact CD2-CG2 4.34Å; L367-I423 HydrophobicContact CD2-CG2 3.57Å
368	H	97.8	Very high	98.4	Very high	10 Å²	10	6.1 Å²	6.1	5%	0.046	4%	0.038	C	C	.	.	H	α-helix	trans	-91.3	-19.3	179.1	-68.5	67.4	0	0	0	112.8	R132 F143 I147 M149 F332 Y335 F364 T365 A366	R132-H368 PolarHBondContact NH2-O 3.47Å; F143-H368 AromaticContact CD2-CE1 3.83Å; F143-H368 AromaticContact CD2-NE2 3.89Å; F143-H368 AromaticContact CE2-CD2 3.96Å; F143-H368 AromaticContact CE2-CE1 3.27Å; F143-H368 WeakPolarHBondContact CE2-CE1 3.3Å; F143-H368 AromaticContact CE2-ND1 3.77Å; F143-H368 AromaticContact CE2-NE2 3.42Å; F143-H368 WeakPolarHBondContact CE2-NE2 3.49Å; F143-H368 AromaticContact CZ-CD2 3.94Å; F143-H368 AromaticContact CZ-NE2 3.83Å; I147-H368 WeakPolarHBondContact CG2-CD2 3.5Å; I147-H368 WeakPolarHBondContact CG2-NE2 3.46Å; M149-H368 HydrophobicContact CE-CB 3.84Å; M149-H368 HydrophobicContact CG-CB 4.27Å; M149-H368 HydrophobicContact SD-CB 3.39Å; M149-H368 WeakPolarHBondContact SD-CB 3.25Å; F332-H368 AromaticContact CE2-CG 3.96Å; F332-H368 AromaticContact CE2-ND1 3.85Å; Y335-H368 AromaticContact CE1-CE1 3.42Å; Y335-H368 VanDerWaalsContact CE1-CE1 3.42Å; Y335-H368 WeakPolarHBondContact CE1-CE1 3.41Å; Y335-H368 AromaticContact CE1-NE2 3.34Å; Y335-H368 VanDerWaalsContact CE1-NE2 3.34Å; Y335-H368 WeakPolarHBondContact CE1-NE2 3.46Å; Y335-H368 AromaticContact CZ-CE1 3.73Å; Y335-H368 AromaticContact CZ-NE2 3.46Å; Y335-H368 PolarHBondContact OH-CE1 3Å; Y335-H368 PolarHBondContact OH-NE2 3.21Å; F364-H368 PolarHBondContact O-N 2.83Å; F364-H368 PolarHBondContact O-ND1 2.84Å; T365-H368 PolarHBondContact O-N 3.01Å; A366-H368 PolarHBondContact O-N 2.8Å; A366-H368 VanDerWaalsContact O-N 3.15Å
369	A	96.5	Very high	98.3	Very high	21 Å²	21	6.5 Å²	6.5	17%	0.174	4%	0.039	C	C	.	.	H	α-helix	trans	-98.9	-26.7	-177.2	0	0	0	0	0	114	L195 L196 T365 A366	L195-A369 HydrophobicContact CD2-CB 3.8Å; L196-A369 HydrophobicContact CD1-CB 3.69Å; L196-A369 HydrophobicContact CG-CB 4.12Å; T365-A369 WeakPolarHBondContact O-CB 3.49Å; T365-A369 PolarHBondContact O-N 3.5Å; T365-A369 VanDerWaalsContact O-N 3.16Å; A366-A369 PolarHBondContact O-N 2.86Å
370	C	96.9	Very high	98.3	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.007	4%	0.036	C	C	.	.			trans	-112.5	163.4	-170.2	-49.7	0	0	0	0	111.7	L196 I206 C208 A366 V373	L196-C370 WeakPolarHBondContact CD1-SG 3.42Å; I206-C370 HydrophobicContact CG2-CB 4.34Å; C208-C370 HydrophobicContact CB-CB 3.66Å; C208-C370 WeakPolarHBondContact CB-SG 3.11Å; C208-C370 WeakPolarHBondContact SG-CB 3.17Å; C208-C370 CovalentContact SG-SG 2.01Å; C208-C370 PolarHBondContact SG-SG 2.98Å; A366-C370 VanDerWaalsContact O-CB 3.25Å; A366-C370 WeakPolarHBondContact O-CB 3.32Å; A366-C370 PolarHBondContact O-N 3.07Å; A366-C370 PolarHBondContact O-SG 3Å; C370-V373 HydrophobicContact CB-CG2 3.83Å
371	D	96.8	Very high	98.1	Very high	11 Å²	11	11.1 Å²	11.1	6%	0.059	6%	0.059	C	C	.	.	S	Bend	trans	-91	-42	171.5	-67.2	-66.1	0	0	0	111.2	T125 C127 S130 L131 C205 I206	T125-D371 WeakPolarHBondContact CB-OD1 3.43Å; T125-D371 PolarHBondContact OG1-OD1 2.74Å; C127-D371 HydrophobicContact CB-CB 3.82Å; C127-D371 VanDerWaalsContact SG-CB 3.56Å; S130-D371 CarbonylContact C-O 3.54Å; S130-D371 WeakPolarHBondContact CA-O 3.22Å; S130-D371 WeakPolarHBondContact CB-OD1 3.38Å; S130-D371 PolarHBondContact OG-OD1 2.75Å; L131-D371 PolarHBondContact N-O 3.06Å; C205-D371 HydrophobicContact CB-CB 4.29Å; I206-D371 PolarHBondContact N-OD2 3.08Å; I206-D371 PolarHBondContact O-N 2.82Å
372	I	97.9	Very high	97.9	Very high	37 Å²	37	12.4 Å²	12.4	19%	0.19	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.6	-177.4	-62.5	162.6	0	0	0	108.4	Q129 C205 I206 H207 C208	Q129-I372 HydrophobicContact CB-CD1 3.94Å; Q129-I372 HydrophobicContact CB-CG1 4.38Å; C205-I372 HydrophobicContact CB-CD1 4.09Å; I206-I372 PolarHBondContact O-N 3.14Å; I206-I372 VanDerWaalsContact O-N 3.16Å; H207-I372 WeakPolarHBondContact CE1-CD1 3.44Å; C208-I372 PolarHBondContact N-O 3.42Å
373	V	98.8	Very high	97.7	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.006	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	125.3	-175	179	0	0	0	0	110.9	L131 C208 V210 A366 L367 C370 I423 K424	L131-V373 HydrophobicContact CD2-CG2 4.01Å; C208-V373 WeakPolarHBondContact O-CA 3.27Å; V210-V373 HydrophobicContact CG2-CG1 3.89Å; A366-V373 HydrophobicContact CB-CG1 4.28Å; A366-V373 HydrophobicContact CB-CG2 4.22Å; L367-V373 HydrophobicContact CD2-CB 4.34Å; L367-V373 HydrophobicContact CD2-CG2 4.18Å; C370-V373 HydrophobicContact CB-CG2 3.83Å; V373-I423 HydrophobicContact CB-CG2 4.14Å; V373-I423 HydrophobicContact CG1-CG2 4.23Å; V373-I423 CarbonylContact O-C 3.55Å; V373-I423 VanDerWaalsContact O-CA 3.3Å; V373-I423 WeakPolarHBondContact O-CA 3.42Å; V373-I423 WeakPolarHBondContact O-CB 3.45Å; V373-K424 PolarHBondContact O-N 2.96Å
374	S	98.9	Very high	97.6	Very high	7 Å²	7	21.7 Å²	21.7	5%	0.049	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.8	170.1	-59.8	0	0	0	0	110	C208 A209 V210 H229 Y376 K424	C208-S374 PolarHBondContact O-N 2.97Å; A209-S374 CarbonylContact C-O 3.59Å; A209-S374 WeakPolarHBondContact CA-O 3.43Å; V210-S374 PolarHBondContact N-O 3.46Å; H229-S374 VanDerWaalsContact NE2-CB 3.34Å; H229-S374 WeakPolarHBondContact NE2-CB 3.46Å; H229-S374 PolarHBondContact NE2-OG 3.11Å; S374-Y376 WeakPolarHBondContact CB-OH 3.24Å; S374-K424 CarbonylContact C-O 3.12Å; S374-K424 VanDerWaalsContact CA-O 3.26Å; S374-K424 WeakPolarHBondContact CA-O 3.31Å
375	A	98.9	Very high	97.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.1	-178.8	0	0	0	0	0	111.2	F378 I423 K424 L425 Y426	A375-F378 HydrophobicContact CB-CD2 3.89Å; A375-F378 HydrophobicContact CB-CE2 4.17Å; A375-I423 HydrophobicContact CB-CD1 4.24Å; A375-K424 PolarHBondContact N-O 3.23Å; A375-L425 HydrophobicContact CB-CD1 3.96Å; A375-Y426 WeakPolarHBondContact O-CB 3.41Å; A375-Y426 PolarHBondContact O-N 3.23Å
376	Y	98.9	Very high	97.2	Very high	3 Å²	3	29.3 Å²	29.3	1%	0.012	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	142.2	-178	-58.5	-88.8	0	0	0	109.8	A209 V210 V211 G212 M222 E225 I226 H229 S374 F378 Y426	A209-Y376 HydrophobicContact CB-CD2 4.1Å; A209-Y376 HydrophobicContact CB-CE2 3.78Å; V210-Y376 PolarHBondContact O-N 3.03Å; V211-Y376 CarbonylContact C-O 3.57Å; V211-Y376 WeakPolarHBondContact CA-O 3.4Å; G212-Y376 PolarHBondContact N-O 3.4Å; M222-Y376 HydrophobicContact CB-CD1 4.29Å; M222-Y376 HydrophobicContact CE-CD1 4.28Å; M222-Y376 HydrophobicContact CE-CE1 3.66Å; E225-Y376 PolarHBondContact OE1-OH 2.67Å; I226-Y376 HydrophobicContact CD1-CD1 4.2Å; I226-Y376 HydrophobicContact CD1-CD2 4.4Å; I226-Y376 HydrophobicContact CD1-CG 4Å; I226-Y376 HydrophobicContact CG1-CD1 3.96Å; I226-Y376 HydrophobicContact CG1-CD2 3.8Å; I226-Y376 HydrophobicContact CG1-CE1 4.13Å; I226-Y376 HydrophobicContact CG1-CE2 3.95Å; I226-Y376 HydrophobicContact CG1-CG 3.81Å; H229-Y376 PolarHBondContact CE1-OH 2.97Å; H229-Y376 VanDerWaalsContact CE1-OH 3.22Å; S374-Y376 WeakPolarHBondContact CB-OH 3.24Å; Y376-F378 VanDerWaalsContact C-N 3.34Å; Y376-F378 WeakPolarHBondContact O-CD2 3.32Å; Y376-F378 WeakPolarHBondContact O-CE2 3.31Å; Y376-F378 PolarHBondContact O-N 3.19Å; Y376-Y426 HydrophobicContact CD1-CG 4.05Å
377	G	98.3	Very high	97.1	Very high	3 Å²	3	30 Å²	30	3%	0.031	14%	0.143	C	C	.	.	S	Bend	trans	69.3	29.5	174.8	0	0	0	0	0	114.7	G212 T213 A214	G212-G377 CarbonylContact C-O 3.45Å; G212-G377 VanDerWaalsContact C-O 3.23Å; G212-G377 WeakPolarHBondContact CA-O 3.41Å; T213-G377 PolarHBondContact N-O 3.04Å; A214-G377 WeakPolarHBondContact CB-O 3.46Å; A214-G377 PolarHBondContact N-O 3.15Å
378	F	98.5	Very high	97	Very high	12 Å²	12	31.3 Å²	31.3	5%	0.053	15%	0.151	C	C	.	.			trans	-100.4	161.9	171.4	-74.1	-95.1	0	0	0	111	V210 M235 V363 A375 Y376 T380 W414 L425	V210-F378 HydrophobicContact CB-CE2 4.26Å; V210-F378 HydrophobicContact CG1-CE2 3.79Å; V210-F378 HydrophobicContact CG1-CZ 3.66Å; M235-F378 HydrophobicContact CE-CZ 3.98Å; V363-F378 HydrophobicContact CG2-CD1 4.25Å; V363-F378 HydrophobicContact CG2-CE1 3.42Å; V363-F378 VanDerWaalsContact CG2-CE1 3.42Å; V363-F378 HydrophobicContact CG2-CE2 4.09Å; V363-F378 HydrophobicContact CG2-CZ 3.34Å; A375-F378 HydrophobicContact CB-CD2 3.89Å; A375-F378 HydrophobicContact CB-CE2 4.17Å; Y376-F378 VanDerWaalsContact C-N 3.34Å; Y376-F378 WeakPolarHBondContact O-CD2 3.32Å; Y376-F378 WeakPolarHBondContact O-CE2 3.31Å; Y376-F378 PolarHBondContact O-N 3.19Å; F378-T380 PolarHBondContact O-N 3.03Å; F378-W414 AromaticContact CD1-NE1 3.83Å; F378-L425 HydrophobicContact CB-CD1 4.16Å
379	I	97.6	Very high	96.9	Very high	21 Å²	21	34.5 Å²	34.5	11%	0.108	16%	0.164	C	C	.	.			trans	-65.3	131	178.6	-172.2	172.1	0	0	0	110.6	Y383 F401 K411	I379-Y383 HydrophobicContact CD1-CD1 4.24Å; I379-Y383 HydrophobicContact CD1-CD2 4.31Å; I379-Y383 HydrophobicContact CD1-CG 4.03Å; I379-Y383 HydrophobicContact CG1-CD1 4.24Å; I379-Y383 HydrophobicContact CG1-CG 3.93Å; I379-F401 HydrophobicContact CD1-CE1 3.79Å; I379-F401 HydrophobicContact CD1-CZ 3.75Å; I379-K411 HydrophobicContact CG1-CB 4.31Å; I379-K411 HydrophobicContact CG1-CD 4.43Å; I379-K411 HydrophobicContact CG1-CG 4.23Å; I379-K411 HydrophobicContact CG2-CB 3.69Å; I379-K411 HydrophobicContact CG2-CG 4.25Å
380	T	97.3	Very high	97	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.018	16%	0.156	C	C	.	.			trans	-120.9	175.1	178.3	55.2	0	0	0	0	110.7	I216 F378 D382 Y383 K411 L425 Q427	I216-T380 HydrophobicContact CD1-CG2 3.88Å; F378-T380 PolarHBondContact O-N 3.03Å; T380-D382 PolarHBondContact O-N 3.32Å; T380-D382 PolarHBondContact OG1-OD1 2.89Å; T380-Y383 WeakPolarHBondContact O-CB 3.45Å; T380-Y383 WeakPolarHBondContact O-CD1 3.32Å; T380-Y383 PolarHBondContact O-N 2.94Å; T380-K411 WeakPolarHBondContact O-CD 3.45Å; T380-L425 HydrophobicContact CG2-CD2 4.42Å; T380-Q427 HydrophobicContact CG2-CG 3.95Å
381	E	95.5	Very high	97	Very high	103 Å²	103	33.6 Å²	33.6	48%	0.481	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-38.1	177.4	-73.6	-55.9	142.3	0	0	113	Y383 K411	E381-Y383 PolarHBondContact O-N 3.44Å; E381-K411 WeakPolarHBondContact OE1-CE 3.47Å; E381-K411 IonicContact OE1-NZ 2.71Å; E381-K411 PolarHBondContact OE1-NZ 2.8Å; E381-K411 IonicContact OE2-NZ 3.06Å; E381-K411 PolarHBondContact OE2-NZ 3.05Å
382	D	95.1	Very high	96.9	Very high	28 Å²	28	34 Å²	34	15%	0.15	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	22.2	-176.4	69.2	-20.5	0	0	0	114.1	T380 K384 K385 Y386	T380-D382 PolarHBondContact O-N 3.32Å; T380-D382 PolarHBondContact OG1-OD1 2.89Å; D382-K384 PolarHBondContact O-N 2.8Å; D382-K385 HydrophobicContact CB-CD 3.85Å; D382-K385 HydrophobicContact CB-CG 4.18Å; D382-K385 VanDerWaalsContact O-CB 3.29Å; D382-K385 WeakPolarHBondContact O-CB 3.37Å; D382-K385 WeakPolarHBondContact O-CG 3.36Å; D382-K385 PolarHBondContact O-N 3.23Å; D382-K385 IonicContact OD2-NZ 2.92Å; D382-K385 PolarHBondContact OD2-NZ 3.25Å; D382-Y386 PolarHBondContact OD2-OH 3.32Å
383	Y	95.3	Very high	96.5	Very high	42 Å²	42	36.6 Å²	36.6	17%	0.165	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-49.4	-30.8	-180	76.1	-84.2	0	0	0	114.1	I379 T380 E381 K385 Y386 V399 F401	I379-Y383 HydrophobicContact CD1-CD1 4.24Å; I379-Y383 HydrophobicContact CD1-CD2 4.31Å; I379-Y383 HydrophobicContact CD1-CG 4.03Å; I379-Y383 HydrophobicContact CG1-CD1 4.24Å; I379-Y383 HydrophobicContact CG1-CG 3.93Å; T380-Y383 WeakPolarHBondContact O-CB 3.45Å; T380-Y383 WeakPolarHBondContact O-CD1 3.32Å; T380-Y383 PolarHBondContact O-N 2.94Å; E381-Y383 PolarHBondContact O-N 3.44Å; Y383-K385 PolarHBondContact O-N 3.44Å; Y383-Y386 PolarHBondContact O-N 3.28Å; Y383-V399 HydrophobicContact CD2-CB 3.95Å; Y383-V399 HydrophobicContact CD2-CG2 3.75Å; Y383-V399 HydrophobicContact CE2-CB 4.13Å; Y383-V399 HydrophobicContact CE2-CG2 4.41Å; Y383-F401 HydrophobicContact CE1-CZ 4.29Å; Y383-F401 HydrophobicContact CE2-CE1 4.01Å; Y383-F401 AromaticContact CE2-CZ 3.84Å; Y383-F401 HydrophobicContact CE2-CZ 3.84Å; Y383-F401 AromaticContact CZ-CZ 3.66Å
384	K	95.4	Very high	96	Very high	153 Å²	153	45.2 Å²	45.2	67%	0.665	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-62.8	-21.2	177.3	-65.4	-179.5	-178.4	172.2	0	113.2	D382 Y386 K396	D382-K384 PolarHBondContact O-N 2.8Å; K384-Y386 VanDerWaalsContact C-N 3.29Å; K384-K396 PolarHBondContact O-NZ 3.37Å
385	K	95.1	Very high	95.5	Very high	128 Å²	128	49.2 Å²	49.2	56%	0.557	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-71.8	-22.8	174.2	-63.5	-178.2	-168.4	157.2	0	112.4	D382 Y383 K396	D382-K385 HydrophobicContact CB-CD 3.85Å; D382-K385 HydrophobicContact CB-CG 4.18Å; D382-K385 VanDerWaalsContact O-CB 3.29Å; D382-K385 WeakPolarHBondContact O-CB 3.37Å; D382-K385 WeakPolarHBondContact O-CG 3.36Å; D382-K385 PolarHBondContact O-N 3.23Å; D382-K385 IonicContact OD2-NZ 2.92Å; D382-K385 PolarHBondContact OD2-NZ 3.25Å; Y383-K385 PolarHBondContact O-N 3.44Å; K385-K396 PolarHBondContact O-NZ 3.5Å
386	Y	95.1	Very high	95.1	Very high	31 Å²	31	54.6 Å²	54.6	12%	0.122	25%	0.249	C	C	.	.	S	Bend	trans	-109.8	160.4	-175.6	-45.4	-66.4	0	0	0	113.7	G215 I216 D382 Y383 K384 K396 R428	G215-Y386 VanDerWaalsContact C-CB 3.48Å; I216-Y386 HydrophobicContact CB-CD1 4.49Å; I216-Y386 HydrophobicContact CB-CD2 3.69Å; I216-Y386 HydrophobicContact CB-CE2 3.97Å; I216-Y386 HydrophobicContact CB-CG 4Å; I216-Y386 HydrophobicContact CD1-CD2 4.37Å; I216-Y386 HydrophobicContact CD1-CE2 3.84Å; I216-Y386 HydrophobicContact CG1-CD2 3.92Å; I216-Y386 HydrophobicContact CG1-CE1 4.37Å; I216-Y386 HydrophobicContact CG1-CE2 3.63Å; I216-Y386 HydrophobicContact CG1-CG 4.41Å; D382-Y386 PolarHBondContact OD2-OH 3.32Å; Y383-Y386 PolarHBondContact O-N 3.28Å; K384-Y386 VanDerWaalsContact C-N 3.29Å; Y386-K396 PolarHBondContact O-NZ 3.39Å; Y386-R428 WeakPolarHBondContact OH-CB 3.36Å; Y386-R428 VanDerWaalsContact OH-CD 3.31Å; Y386-R428 WeakPolarHBondContact OH-CD 3.35Å
387	S	96.2	Very high	94.9	Very high	15 Å²	15	56.3 Å²	56.3	11%	0.105	26%	0.259	C	S	.	.			trans	-68.2	166.6	171.8	-56.9	0	0	0	0	110.9	G215 Y389 L395 T397	G215-S387 WeakPolarHBondContact CA-O 3.37Å; G215-S387 PolarHBondContact N-O 3.16Å; G215-S387 VanDerWaalsContact N-O 3.15Å; S387-Y389 VanDerWaalsContact C-N 3.3Å; S387-Y389 PolarHBondContact O-N 2.86Å; S387-L395 WeakPolarHBondContact CB-O 3.44Å; S387-L395 PolarHBondContact OG-O 2.92Å; S387-T397 WeakPolarHBondContact CA-O 3.22Å
388	C	95.6	Very high	94.6	Very high	27 Å²	27	62.2 Å²	62.2	18%	0.182	29%	0.29	C	S	.	.	S	Bend	trans	-57.3	-47.2	176	-167.7	0	0	0	0	111	A214 G215 T397	A214-C388 WeakPolarHBondContact CA-O 3.36Å; G215-C388 PolarHBondContact N-O 3.07Å; C388-T397 VanDerWaalsContact CB-OG1 3.25Å; C388-T397 WeakPolarHBondContact CB-OG1 3.2Å; C388-T397 PolarHBondContact N-O 2.89Å; C388-T397 PolarHBondContact N-OG1 3.17Å
389	Y	97.3	Very high	94.3	Very high	77 Å²	77	63.6 Å²	63.6	30%	0.302	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-119.7	146.9	178.8	-56.9	-74.9	0	0	0	112.8	T213 F268 S387 A391 E392	T213-Y389 CarbonylContact O-C 3.23Å; T213-Y389 WeakPolarHBondContact O-CA 3.24Å; F268-Y389 AromaticContact CE1-CD1 3.97Å; F268-Y389 HydrophobicContact CE1-CD1 3.97Å; F268-Y389 AromaticContact CE1-CD2 3.78Å; F268-Y389 HydrophobicContact CE1-CD2 3.78Å; F268-Y389 HydrophobicContact CE1-CE1 4.3Å; F268-Y389 HydrophobicContact CE1-CE2 4.12Å; F268-Y389 AromaticContact CE1-CG 3.68Å; F268-Y389 HydrophobicContact CE1-CG 3.68Å; F268-Y389 AromaticContact CZ-CD1 3.82Å; F268-Y389 HydrophobicContact CZ-CD1 3.82Å; F268-Y389 HydrophobicContact CZ-CD2 4Å; F268-Y389 AromaticContact CZ-CE1 3.71Å; F268-Y389 HydrophobicContact CZ-CE1 3.71Å; F268-Y389 AromaticContact CZ-CE2 3.89Å; F268-Y389 HydrophobicContact CZ-CE2 3.89Å; F268-Y389 AromaticContact CZ-CG 3.95Å; F268-Y389 HydrophobicContact CZ-CG 3.95Å; F268-Y389 AromaticContact CZ-CZ 3.74Å; S387-Y389 VanDerWaalsContact C-N 3.3Å; S387-Y389 PolarHBondContact O-N 2.86Å; Y389-A391 PolarHBondContact O-N 3.26Å; Y389-E392 PolarHBondContact N-OE2 3.06Å; Y389-E392 WeakPolarHBondContact O-CB 3.43Å; Y389-E392 PolarHBondContact O-N 3.07Å; Y389-E392 VanDerWaalsContact O-N 3.11Å
390	Y	97.8	Very high	94	Very high	2 Å²	2	67 Å²	67	1%	0.008	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-25	174.8	64.7	-109.1	0	0	0	112.6	T213 L217 A238 V239 Y243 V247 E392	T213-Y390 HydrophobicContact CG2-CE1 4.23Å; T213-Y390 WeakPolarHBondContact O-CD1 3.31Å; T213-Y390 PolarHBondContact O-N 3.01Å; L217-Y390 HydrophobicContact CB-CD1 4.24Å; L217-Y390 HydrophobicContact CB-CG 4.25Å; L217-Y390 HydrophobicContact CD1-CD1 4.16Å; A238-Y390 WeakPolarHBondContact CA-OH 3.22Å; V239-Y390 HydrophobicContact CB-CE2 4.13Å; V239-Y390 PolarHBondContact N-OH 3.4Å; V239-Y390 WeakPolarHBondContact O-CE2 3.42Å; V239-Y390 VanDerWaalsContact O-CZ 3.29Å; V239-Y390 PolarHBondContact O-OH 3.37Å; Y243-Y390 AromaticContact CD1-CD2 3.88Å; Y243-Y390 HydrophobicContact CD1-CD2 3.88Å; Y243-Y390 HydrophobicContact CD1-CE2 4.23Å; Y243-Y390 HydrophobicContact CE1-CD2 4.44Å; Y243-Y390 HydrophobicContact CG-CD2 4.27Å; Y243-Y390 HydrophobicContact CG-CE2 4.16Å; V247-Y390 HydrophobicContact CG1-CD1 4.14Å; V247-Y390 HydrophobicContact CG1-CD2 3.94Å; V247-Y390 HydrophobicContact CG1-CE1 4.02Å; V247-Y390 HydrophobicContact CG1-CE2 3.85Å; V247-Y390 HydrophobicContact CG1-CG 4.12Å; V247-Y390 HydrophobicContact CG2-CE2 4.45Å; Y390-E392 PolarHBondContact O-N 2.69Å
391	A	96.9	Very high	93.9	Very high	2 Å²	2	70.6 Å²	70.6	2%	0.017	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.6	176.6	0	0	0	0	0	113	V239 Y243 Y271 Y389 R393	V239-A391 HydrophobicContact CB-CB 4.3Å; V239-A391 HydrophobicContact CG2-CB 3.87Å; Y243-A391 VanDerWaalsContact CE1-CA 3.5Å; Y243-A391 HydrophobicContact CE1-CB 4.41Å; Y243-A391 PolarHBondContact OH-O 2.9Å; Y271-A391 HydrophobicContact CD1-CB 4.34Å; Y271-A391 WeakPolarHBondContact CD1-O 3.48Å; Y271-A391 HydrophobicContact CD2-CB 4.08Å; Y271-A391 WeakPolarHBondContact CE1-O 3.47Å; Y271-A391 HydrophobicContact CG-CB 3.86Å; Y389-A391 PolarHBondContact O-N 3.26Å; A391-R393 VanDerWaalsContact C-N 3.26Å; A391-R393 PolarHBondContact O-N 2.96Å
392	E	95.3	Very high	93.8	Very high	20 Å²	20	72 Å²	72	9%	0.093	33%	0.334	C	S	.	.			trans	-87.6	52.3	-176.9	-65	175.7	139.4	0	0	111.8	Y271 Y389 Y390 H394 L395 T397	Y271-E392 HydrophobicContact CE1-CG 4.22Å; Y271-E392 HydrophobicContact CE2-CG 4.2Å; Y271-E392 WeakPolarHBondContact OH-CG 3.44Å; Y389-E392 PolarHBondContact N-OE2 3.06Å; Y389-E392 WeakPolarHBondContact O-CB 3.43Å; Y389-E392 PolarHBondContact O-N 3.07Å; Y389-E392 VanDerWaalsContact O-N 3.11Å; Y390-E392 PolarHBondContact O-N 2.69Å; E392-H394 VanDerWaalsContact C-N 3.26Å; E392-H394 PolarHBondContact O-N 2.94Å; E392-H394 VanDerWaalsContact O-N 3.07Å; E392-L395 HydrophobicContact CB-CB 4.26Å; E392-L395 PolarHBondContact O-N 3.29Å; E392-T397 WeakPolarHBondContact OE1-CG2 3.31Å; E392-T397 PolarHBondContact OE2-OG1 3.36Å
393	R	89	Confident	93.7	Very high	91 Å²	91	73.6 Å²	73.6	34%	0.343	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-42.3	-169.4	-65.6	-166.4	154.1	151.3	-1.3	115.4	N218 G242 Y243 D246 A391	N218-R393 PolarHBondContact ND2-O 3.17Å; G242-R393 PolarHBondContact O-NH1 3.46Å; G242-R393 PolarHBondContact O-NH2 3.18Å; Y243-R393 HydrophobicContact CD1-CG 4.47Å; Y243-R393 HydrophobicContact CE1-CG 3.55Å; Y243-R393 VanDerWaalsContact CE1-NE 3.35Å; D246-R393 IonicContact OD2-NH2 3.91Å; A391-R393 VanDerWaalsContact C-N 3.26Å; A391-R393 PolarHBondContact O-N 2.96Å
394	H	87.6	Confident	93.6	Very high	181 Å²	181	73.7 Å²	73.7	84%	0.838	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	9.6	-173.2	-51.5	-59.9	0	0	0	112.7	E392	E392-H394 VanDerWaalsContact C-N 3.26Å; E392-H394 PolarHBondContact O-N 2.94Å; E392-H394 VanDerWaalsContact O-N 3.07Å
395	L	89.8	Confident	93.7	Very high	91 Å²	91	67.7 Å²	67.7	48%	0.476	33%	0.325	S	S	.	.			trans	-125.3	125.1	-176.6	-64.8	174.7	0	0	0	109.5	S387 E392 T397	S387-L395 WeakPolarHBondContact CB-O 3.44Å; S387-L395 PolarHBondContact OG-O 2.92Å; E392-L395 HydrophobicContact CB-CB 4.26Å; E392-L395 PolarHBondContact O-N 3.29Å; L395-T397 HydrophobicContact CB-CG2 4.39Å; L395-T397 PolarHBondContact O-N 3.37Å
396	K	89.8	Confident	93.8	Very high	114 Å²	114	63.7 Å²	63.7	50%	0.496	31%	0.31	S	S	.	.			trans	-90.8	90.3	173.3	-176.7	57.5	177.6	172.4	0	110.4	K384 K385 Y386	K384-K396 PolarHBondContact O-NZ 3.37Å; K385-K396 PolarHBondContact O-NZ 3.5Å; Y386-K396 PolarHBondContact O-NZ 3.39Å
397	T	93.6	Very high	93.9	Very high	39 Å²	39	64.2 Å²	64.2	24%	0.239	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-94.6	151.2	174.8	64.2	0	0	0	0	110.7	S387 C388 E392 L395	S387-T397 WeakPolarHBondContact CA-O 3.22Å; C388-T397 VanDerWaalsContact CB-OG1 3.25Å; C388-T397 WeakPolarHBondContact CB-OG1 3.2Å; C388-T397 PolarHBondContact N-O 2.89Å; C388-T397 PolarHBondContact N-OG1 3.17Å; E392-T397 WeakPolarHBondContact OE1-CG2 3.31Å; E392-T397 PolarHBondContact OE2-OG1 3.36Å; L395-T397 HydrophobicContact CB-CG2 4.39Å; L395-T397 PolarHBondContact O-N 3.37Å
398	N	93.6	Very high	94	Very high	127 Å²	127	66.4 Å²	66.4	68%	0.679	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-88.2	142.6	175.8	-69	-41.6	0	0	0	110.6	I400	N398-I400 PolarHBondContact O-N 2.93Å
399	V	91.5	Very high	94.1	Very high	40 Å²	40	67.8 Å²	67.8	24%	0.242	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-66.8	122.2	168.4	-173	0	0	0	0	108.7	Y383 F401	Y383-V399 HydrophobicContact CD2-CB 3.95Å; Y383-V399 HydrophobicContact CD2-CG2 3.75Å; Y383-V399 HydrophobicContact CE2-CB 4.13Å; Y383-V399 HydrophobicContact CE2-CG2 4.41Å; V399-F401 HydrophobicContact CB-CE1 4.24Å; V399-F401 HydrophobicContact CG1-CD1 3.93Å; V399-F401 HydrophobicContact CG1-CE1 3.65Å
400	I	91.5	Very high	94.2	Very high	93 Å²	93	64.4 Å²	64.4	48%	0.477	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-94.7	121.2	179.3	-58.4	175	0	0	0	108.8	N398 Y402	N398-I400 PolarHBondContact O-N 2.93Å; I400-Y402 HydrophobicContact CB-CD2 4.37Å; I400-Y402 HydrophobicContact CB-CE2 3.84Å; I400-Y402 HydrophobicContact CG2-CD1 4.21Å; I400-Y402 HydrophobicContact CG2-CD2 4.06Å; I400-Y402 HydrophobicContact CG2-CE1 3.89Å; I400-Y402 HydrophobicContact CG2-CE2 3.73Å; I400-Y402 HydrophobicContact CG2-CG 4.29Å; I400-Y402 PolarHBondContact O-N 3.07Å
401	F	94.8	Very high	94.2	Very high	78 Å²	78	65.2 Å²	65.2	34%	0.342	32%	0.317	S	S	.	.			trans	-89.3	88.4	176.4	-70.4	5.5	0	0	0	110.4	I379 Y383 V399 Y407 I408	I379-F401 HydrophobicContact CD1-CE1 3.79Å; I379-F401 HydrophobicContact CD1-CZ 3.75Å; Y383-F401 HydrophobicContact CE1-CZ 4.29Å; Y383-F401 HydrophobicContact CE2-CE1 4.01Å; Y383-F401 AromaticContact CE2-CZ 3.84Å; Y383-F401 HydrophobicContact CE2-CZ 3.84Å; Y383-F401 AromaticContact CZ-CZ 3.66Å; V399-F401 HydrophobicContact CB-CE1 4.24Å; V399-F401 HydrophobicContact CG1-CD1 3.93Å; V399-F401 HydrophobicContact CG1-CE1 3.65Å; F401-Y407 HydrophobicContact CB-CD2 3.88Å; F401-Y407 HydrophobicContact CB-CE2 4.38Å; F401-Y407 AromaticContact CD1-CD2 3.76Å; F401-Y407 HydrophobicContact CD1-CD2 3.76Å; F401-Y407 HydrophobicContact CD1-CE2 4.48Å; F401-Y407 AromaticContact CD1-CG 3.81Å; F401-Y407 HydrophobicContact CD1-CG 3.81Å; F401-Y407 HydrophobicContact CE1-CG 4.11Å; F401-Y407 AromaticContact CG-CD2 3.85Å; F401-Y407 HydrophobicContact CG-CD2 3.85Å; F401-Y407 HydrophobicContact CG-CG 4.23Å; F401-I408 HydrophobicContact CD2-CG1 4.35Å; F401-I408 HydrophobicContact CE2-CD1 3.5Å; F401-I408 VanDerWaalsContact CE2-CD1 3.5Å; F401-I408 HydrophobicContact CE2-CG1 3.64Å; F401-I408 HydrophobicContact CZ-CD1 3.93Å; F401-I408 HydrophobicContact CZ-CG1 4.44Å
402	Y	93	Very high	94.3	Very high	134 Å²	134	68.8 Å²	68.8	53%	0.525	34%	0.336	S	S	.	.			trans	-66.4	140.2	172.1	-62.4	-81	0	0	0	111.5	I400 N404 H405	I400-Y402 HydrophobicContact CB-CD2 4.37Å; I400-Y402 HydrophobicContact CB-CE2 3.84Å; I400-Y402 HydrophobicContact CG2-CD1 4.21Å; I400-Y402 HydrophobicContact CG2-CD2 4.06Å; I400-Y402 HydrophobicContact CG2-CE1 3.89Å; I400-Y402 HydrophobicContact CG2-CE2 3.73Å; I400-Y402 HydrophobicContact CG2-CG 4.29Å; I400-Y402 PolarHBondContact O-N 3.07Å; Y402-N404 WeakPolarHBondContact CB-OD1 3.27Å; Y402-N404 PolarHBondContact O-N 3.14Å; Y402-H405 PolarHBondContact O-N 2.87Å; Y402-H405 VanDerWaalsContact O-N 3.12Å; Y402-H405 VanDerWaalsContact O-O 3.05Å
403	S	92.9	Very high	94.4	Very high	60 Å²	60	68.7 Å²	68.7	42%	0.42	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-14.7	-173.3	55.7	0	0	0	0	114.9	Y350 H405	Y350-S403 WeakPolarHBondContact CE2-O 3.17Å; S403-H405 PolarHBondContact O-N 2.94Å
404	N	93.8	Very high	94.9	Very high	45 Å²	45	64.4 Å²	64.4	24%	0.241	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-11	173.9	66	-38.7	0	0	0	112.6	I353 V354 R355 Y402	I353-N404 HydrophobicContact CB-CB 4.17Å; I353-N404 HydrophobicContact CD1-CB 4.04Å; I353-N404 HydrophobicContact CG1-CB 4.12Å; I353-N404 VanDerWaalsContact O-CB 3.3Å; I353-N404 WeakPolarHBondContact O-CB 3.46Å; V354-N404 CarbonylContact C-O 3.57Å; V354-N404 WeakPolarHBondContact CA-O 3.32Å; R355-N404 PolarHBondContact N-O 3.43Å; Y402-N404 WeakPolarHBondContact CB-OD1 3.27Å; Y402-N404 PolarHBondContact O-N 3.14Å
405	H	96.9	Very high	95.4	Very high	27 Å²	27	59.3 Å²	59.3	13%	0.125	30%	0.295	C	S	.	.	S	Bend	trans	-130.4	156.9	177.9	-55.1	-59.1	0	0	0	111	R355 T357 Y402 S403 Y407	R355-H405 PolarHBondContact O-ND1 2.87Å; T357-H405 HydrophobicContact CG2-CB 3.91Å; Y402-H405 PolarHBondContact O-N 2.87Å; Y402-H405 VanDerWaalsContact O-N 3.12Å; Y402-H405 VanDerWaalsContact O-O 3.05Å; S403-H405 PolarHBondContact O-N 2.94Å; H405-Y407 HydrophobicContact CB-CD2 4.04Å; H405-Y407 HydrophobicContact CB-CE1 4.49Å; H405-Y407 HydrophobicContact CB-CE2 3.59Å; H405-Y407 AromaticContact CD2-CZ 3.87Å; H405-Y407 PolarHBondContact CD2-OH 2.87Å; H405-Y407 VanDerWaalsContact CD2-OH 3.31Å
406	D	98	Very high	95.8	Very high	43 Å²	43	58.1 Å²	58.1	23%	0.23	28%	0.284	C	S	.	.			trans	-113.8	80.1	172.5	-163.1	-28.8	0	0	0	109.9	S343 I408 M409 E410	S343-D406 WeakPolarHBondContact CB-OD2 3.43Å; S343-D406 PolarHBondContact OG-OD2 3.26Å; D406-I408 PolarHBondContact O-N 2.71Å; D406-M409 HydrophobicContact CB-CB 3.87Å; D406-M409 VanDerWaalsContact CG-CB 3.46Å; D406-M409 PolarHBondContact O-N 2.96Å; D406-M409 VanDerWaalsContact O-N 3.16Å; D406-M409 WeakPolarHBondContact OD1-CB 3.13Å; D406-M409 PolarHBondContact OD1-N 3.45Å; D406-E410 PolarHBondContact O-N 3.5Å
407	Y	97.3	Very high	96.3	Very high	42 Å²	42	52.7 Å²	52.7	17%	0.165	26%	0.26	C	S	.	.	H	α-helix	trans	-61.6	-29.5	-175.9	-64.8	-87.4	0	0	0	113.2	T357 F401 H405 K411	T357-Y407 HydrophobicContact CG2-CD1 4.3Å; T357-Y407 HydrophobicContact CG2-CE1 3.82Å; F401-Y407 HydrophobicContact CB-CD2 3.88Å; F401-Y407 HydrophobicContact CB-CE2 4.38Å; F401-Y407 AromaticContact CD1-CD2 3.76Å; F401-Y407 HydrophobicContact CD1-CD2 3.76Å; F401-Y407 HydrophobicContact CD1-CE2 4.48Å; F401-Y407 AromaticContact CD1-CG 3.81Å; F401-Y407 HydrophobicContact CD1-CG 3.81Å; F401-Y407 HydrophobicContact CE1-CG 4.11Å; F401-Y407 AromaticContact CG-CD2 3.85Å; F401-Y407 HydrophobicContact CG-CD2 3.85Å; F401-Y407 HydrophobicContact CG-CG 4.23Å; H405-Y407 HydrophobicContact CB-CD2 4.04Å; H405-Y407 HydrophobicContact CB-CE1 4.49Å; H405-Y407 HydrophobicContact CB-CE2 3.59Å; H405-Y407 AromaticContact CD2-CZ 3.87Å; H405-Y407 PolarHBondContact CD2-OH 2.87Å; H405-Y407 VanDerWaalsContact CD2-OH 3.31Å; Y407-K411 VanDerWaalsContact O-CB 3.26Å; Y407-K411 WeakPolarHBondContact O-CB 3.41Å; Y407-K411 PolarHBondContact O-N 3.19Å
408	I	97.8	Very high	96.5	Very high	62 Å²	62	53.5 Å²	53.5	32%	0.318	26%	0.261	S	S	.	.	H	α-helix	trans	-72.2	-43.3	176.4	-65.7	-58.2	0	0	0	110.2	F401 D406 E410 K411 N412	F401-I408 HydrophobicContact CD2-CG1 4.35Å; F401-I408 HydrophobicContact CE2-CD1 3.5Å; F401-I408 VanDerWaalsContact CE2-CD1 3.5Å; F401-I408 HydrophobicContact CE2-CG1 3.64Å; F401-I408 HydrophobicContact CZ-CD1 3.93Å; F401-I408 HydrophobicContact CZ-CG1 4.44Å; D406-I408 PolarHBondContact O-N 2.71Å; I408-E410 VanDerWaalsContact C-N 3.33Å; I408-E410 PolarHBondContact O-N 2.98Å; I408-K411 PolarHBondContact O-N 2.97Å; I408-N412 WeakPolarHBondContact O-CB 3.45Å; I408-N412 PolarHBondContact O-N 2.96Å; I408-N412 PolarHBondContact O-ND2 3.25Å; I408-N412 PolarHBondContact O-OD1 3.32Å
409	M	98.3	Very high	96.7	Very high	55 Å²	55	51.6 Å²	51.6	27%	0.271	25%	0.251	S	S	.	.	H	α-helix	trans	-60.2	-44.3	174.3	-169.9	176.4	-165.8	0	0	111.6	L341 K342 D406 N412 L413	L341-M409 VanDerWaalsContact C-SD 3.56Å; L341-M409 HydrophobicContact CD2-CG 3.96Å; L341-M409 HydrophobicContact CD2-SD 4.43Å; K342-M409 VanDerWaalsContact N-CE 3.27Å; D406-M409 HydrophobicContact CB-CB 3.87Å; D406-M409 VanDerWaalsContact CG-CB 3.46Å; D406-M409 PolarHBondContact O-N 2.96Å; D406-M409 VanDerWaalsContact O-N 3.16Å; D406-M409 WeakPolarHBondContact OD1-CB 3.13Å; D406-M409 PolarHBondContact OD1-N 3.45Å; M409-N412 PolarHBondContact O-N 3.47Å; M409-L413 WeakPolarHBondContact O-CB 3.49Å; M409-L413 PolarHBondContact O-N 2.9Å
410	E	98.6	Very high	97	Very high	6 Å²	6	54 Å²	54	3%	0.028	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-49	175.4	-73.8	-175.2	-156.5	0	0	112	L341 P356 T357 A360 D406 I408 N412 L413 W414	L341-E410 HydrophobicContact CD1-CG 3.97Å; L341-E410 HydrophobicContact CD2-CB 4.47Å; L341-E410 HydrophobicContact CD2-CG 3.74Å; P356-E410 WeakPolarHBondContact CA-OE1 3.1Å; T357-E410 WeakPolarHBondContact CB-OE2 3.49Å; T357-E410 WeakPolarHBondContact CG2-OE1 3.44Å; T357-E410 WeakPolarHBondContact CG2-OE2 3.37Å; T357-E410 PolarHBondContact N-OE1 3.26Å; T357-E410 PolarHBondContact OG1-OE1 2.99Å; T357-E410 PolarHBondContact OG1-OE2 3.29Å; A360-E410 HydrophobicContact CB-CG 4.38Å; D406-E410 PolarHBondContact O-N 3.5Å; I408-E410 VanDerWaalsContact C-N 3.33Å; I408-E410 PolarHBondContact O-N 2.98Å; E410-N412 VanDerWaalsContact C-N 3.3Å; E410-N412 PolarHBondContact O-N 3.25Å; E410-L413 WeakPolarHBondContact O-CB 3.41Å; E410-L413 PolarHBondContact O-N 2.88Å; E410-L413 VanDerWaalsContact O-N 3.11Å; E410-W414 HydrophobicContact CB-CZ2 4Å; E410-W414 HydrophobicContact CG-CZ2 4.17Å; E410-W414 PolarHBondContact O-N 2.93Å; E410-W414 PolarHBondContact O-NE1 2.94Å
411	K	98.3	Very high	97.3	Very high	19 Å²	19	58.8 Å²	58.8	8%	0.083	28%	0.276	C	S	.	.	H	α-helix	trans	-52	-49.2	175.2	-175.1	-163	60.6	146.7	0	111.7	I379 T380 E381 Y407 I408 L413 W414 K415	I379-K411 HydrophobicContact CG1-CB 4.31Å; I379-K411 HydrophobicContact CG1-CD 4.43Å; I379-K411 HydrophobicContact CG1-CG 4.23Å; I379-K411 HydrophobicContact CG2-CB 3.69Å; I379-K411 HydrophobicContact CG2-CG 4.25Å; T380-K411 WeakPolarHBondContact O-CD 3.45Å; E381-K411 WeakPolarHBondContact OE1-CE 3.47Å; E381-K411 IonicContact OE1-NZ 2.71Å; E381-K411 PolarHBondContact OE1-NZ 2.8Å; E381-K411 IonicContact OE2-NZ 3.06Å; E381-K411 PolarHBondContact OE2-NZ 3.05Å; Y407-K411 VanDerWaalsContact O-CB 3.26Å; Y407-K411 WeakPolarHBondContact O-CB 3.41Å; Y407-K411 PolarHBondContact O-N 3.19Å; I408-K411 PolarHBondContact O-N 2.97Å; K411-L413 VanDerWaalsContact C-N 3.32Å; K411-L413 PolarHBondContact O-N 2.99Å; K411-W414 PolarHBondContact O-N 2.9Å; K411-K415 PolarHBondContact O-N 3.44Å; K411-K415 VanDerWaalsContact O-N 3.09Å
412	N	98.6	Very high	97.5	Very high	78 Å²	78	55.4 Å²	55.4	42%	0.417	26%	0.261	S	S	.	.	H	α-helix	trans	-65.2	-37.7	-178.9	-66.4	-8.1	0	0	0	111.4	I408 M409 E410 K415 W416	I408-N412 WeakPolarHBondContact O-CB 3.45Å; I408-N412 PolarHBondContact O-N 2.96Å; I408-N412 PolarHBondContact O-ND2 3.25Å; I408-N412 PolarHBondContact O-OD1 3.32Å; M409-N412 PolarHBondContact O-N 3.47Å; E410-N412 VanDerWaalsContact C-N 3.3Å; E410-N412 PolarHBondContact O-N 3.25Å; N412-K415 PolarHBondContact O-N 3.47Å; N412-W416 WeakPolarHBondContact O-CB 3.07Å; N412-W416 PolarHBondContact O-N 3.12Å
413	L	98.8	Very high	97.8	Very high	17 Å²	17	49.4 Å²	49.4	9%	0.089	24%	0.238	C	C	.	.	H	α-helix	trans	-64.8	-43.7	175.4	179.4	65.9	0	0	0	112	F340 L341 F364 M409 E410 K411 K415 W416 L417	F340-L413 HydrophobicContact CB-CD2 3.97Å; F340-L413 HydrophobicContact CD1-CD1 4.28Å; L341-L413 HydrophobicContact CD1-CD2 4.2Å; L341-L413 HydrophobicContact CD2-CB 4.24Å; L341-L413 HydrophobicContact CD2-CD2 3.58Å; L341-L413 HydrophobicContact CG-CD2 3.76Å; F364-L413 HydrophobicContact CE2-CD2 3.86Å; F364-L413 HydrophobicContact CZ-CD2 3.98Å; M409-L413 WeakPolarHBondContact O-CB 3.49Å; M409-L413 PolarHBondContact O-N 2.9Å; E410-L413 WeakPolarHBondContact O-CB 3.41Å; E410-L413 PolarHBondContact O-N 2.88Å; E410-L413 VanDerWaalsContact O-N 3.11Å; K411-L413 VanDerWaalsContact C-N 3.32Å; K411-L413 PolarHBondContact O-N 2.99Å; L413-K415 VanDerWaalsContact C-N 3.3Å; L413-K415 PolarHBondContact O-N 2.92Å; L413-W416 HydrophobicContact CD1-CE3 3.8Å; L413-W416 HydrophobicContact CD1-CZ3 4.18Å; L413-W416 PolarHBondContact O-N 3.29Å; L413-L417 HydrophobicContact CD1-CD1 4.36Å; L413-L417 HydrophobicContact CD1-CG 4.21Å; L413-L417 HydrophobicContact CG-CD1 4.11Å; L413-L417 HydrophobicContact CG-CG 4.39Å; L413-L417 WeakPolarHBondContact O-CG 3.48Å; L413-L417 PolarHBondContact O-N 3.42Å
414	W	98.8	Very high	98	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-60.7	-43	177	-50.2	141.1	0	0	0	111.5	A360 V363 F364 F378 E410 K411 L417 H418 L425	A360-W414 HydrophobicContact CB-CH2 3.77Å; A360-W414 HydrophobicContact CB-CZ2 3.8Å; V363-W414 HydrophobicContact CB-CH2 4.04Å; V363-W414 HydrophobicContact CB-CZ3 3.94Å; V363-W414 HydrophobicContact CG1-CE3 4.19Å; V363-W414 HydrophobicContact CG1-CH2 4.24Å; V363-W414 HydrophobicContact CG1-CZ3 3.62Å; V363-W414 HydrophobicContact CG2-CH2 4.19Å; V363-W414 HydrophobicContact CG2-CZ3 4.19Å; F364-W414 HydrophobicContact CE2-CH2 4.27Å; F364-W414 HydrophobicContact CE2-CZ3 4.22Å; F378-W414 AromaticContact CD1-NE1 3.83Å; E410-W414 HydrophobicContact CB-CZ2 4Å; E410-W414 HydrophobicContact CG-CZ2 4.17Å; E410-W414 PolarHBondContact O-N 2.93Å; E410-W414 PolarHBondContact O-NE1 2.94Å; K411-W414 PolarHBondContact O-N 2.9Å; W414-L417 HydrophobicContact CE3-CD1 4Å; W414-L417 HydrophobicContact CZ3-CD1 4.11Å; W414-H418 WeakPolarHBondContact O-CB 3.35Å; W414-H418 PolarHBondContact O-N 3.37Å; W414-L425 HydrophobicContact CB-CD1 4.25Å; W414-L425 HydrophobicContact CB-CD2 3.88Å
415	K	98.6	Very high	98.3	Very high	74 Å²	74	49.8 Å²	49.8	32%	0.322	23%	0.23	S	C	.	.	H	α-helix	trans	-61.7	-47.1	174.4	176.1	164.5	173.6	45.5	0	111.6	K411 N412 L413 H418 D419	K411-K415 PolarHBondContact O-N 3.44Å; K411-K415 VanDerWaalsContact O-N 3.09Å; N412-K415 PolarHBondContact O-N 3.47Å; L413-K415 VanDerWaalsContact C-N 3.3Å; L413-K415 PolarHBondContact O-N 2.92Å; K415-H418 WeakPolarHBondContact O-CB 3.42Å; K415-H418 PolarHBondContact O-N 3.11Å; K415-D419 WeakPolarHBondContact CE-OD2 3.26Å; K415-D419 WeakPolarHBondContact CG-OD2 3.33Å; K415-D419 VanDerWaalsContact NZ-CG 3.32Å; K415-D419 IonicContact NZ-OD1 2.73Å; K415-D419 PolarHBondContact NZ-OD1 2.95Å; K415-D419 IonicContact NZ-OD2 3.44Å; K415-D419 PolarHBondContact NZ-OD2 2.93Å; K415-D419 WeakPolarHBondContact O-CB 3.42Å; K415-D419 PolarHBondContact O-N 3.46Å
416	W	98.6	Very high	98.4	Very high	67 Å²	67	50.2 Å²	50.2	25%	0.254	23%	0.231	S	C	.	.	H	α-helix	trans	-61.5	-47.7	179.2	174.1	84.3	0	0	0	112.2	D136 D138 F139 N412 L413 H418 D419 K420 I422	D136-W416 WeakPolarHBondContact OD1-CZ2 3.3Å; D138-W416 HydrophobicContact CB-CZ2 3.93Å; F139-W416 HydrophobicContact CB-CH2 3.83Å; F139-W416 HydrophobicContact CD2-CH2 4.27Å; F139-W416 HydrophobicContact CD2-CZ3 4.34Å; N412-W416 WeakPolarHBondContact O-CB 3.07Å; N412-W416 PolarHBondContact O-N 3.12Å; L413-W416 HydrophobicContact CD1-CE3 3.8Å; L413-W416 HydrophobicContact CD1-CZ3 4.18Å; L413-W416 PolarHBondContact O-N 3.29Å; W416-H418 PolarHBondContact O-N 3Å; W416-D419 PolarHBondContact O-N 3.26Å; W416-K420 HydrophobicContact CD2-CG 4.41Å; W416-K420 HydrophobicContact CZ2-CG 4.41Å; W416-K420 WeakPolarHBondContact O-CB 3.43Å; W416-K420 VanDerWaalsContact O-CG 3.3Å; W416-K420 WeakPolarHBondContact O-CG 3.36Å; W416-K420 PolarHBondContact O-N 3.37Å; W416-I422 HydrophobicContact CH2-CD1 4.24Å; W416-I422 HydrophobicContact CZ3-CD1 4.26Å
417	L	98.7	Very high	98.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.7	-36.2	175.8	-71.2	172	0	0	0	111.8	F139 L367 L413 W414 K421 I422 I423	F139-L417 HydrophobicContact CD2-CD2 4.13Å; F139-L417 HydrophobicContact CE2-CD2 4.16Å; L367-L417 HydrophobicContact CD1-CD1 4.36Å; L413-L417 HydrophobicContact CD1-CD1 4.36Å; L413-L417 HydrophobicContact CD1-CG 4.21Å; L413-L417 HydrophobicContact CG-CD1 4.11Å; L413-L417 HydrophobicContact CG-CG 4.39Å; L413-L417 WeakPolarHBondContact O-CG 3.48Å; L413-L417 PolarHBondContact O-N 3.42Å; W414-L417 HydrophobicContact CE3-CD1 4Å; W414-L417 HydrophobicContact CZ3-CD1 4.11Å; L417-K421 PolarHBondContact O-N 3.39Å; L417-I422 HydrophobicContact CB-CB 4.42Å; L417-I422 HydrophobicContact CD2-CB 4Å; L417-I422 HydrophobicContact CD2-CD1 3.79Å; L417-I422 HydrophobicContact CD2-CG2 3.77Å; L417-I422 WeakPolarHBondContact O-CB 3.42Å; L417-I422 PolarHBondContact O-N 3.37Å; L417-I423 HydrophobicContact CB-CD1 3.81Å; L417-I423 HydrophobicContact CB-CG1 3.74Å; L417-I423 HydrophobicContact CB-CG2 4.39Å; L417-I423 HydrophobicContact CD1-CD1 4.19Å; L417-I423 PolarHBondContact O-N 3.44Å
418	H	98.5	Very high	98	Very high	55 Å²	55	53 Å²	53	26%	0.255	24%	0.241	S	C	.	.	H	α-helix	trans	-69.9	-49.5	176.8	179.1	58.1	0	0	0	113	W414 K415 W416 K420 K421 I423 L425 Q427	W414-H418 WeakPolarHBondContact O-CB 3.35Å; W414-H418 PolarHBondContact O-N 3.37Å; K415-H418 WeakPolarHBondContact O-CB 3.42Å; K415-H418 PolarHBondContact O-N 3.11Å; W416-H418 PolarHBondContact O-N 3Å; H418-K420 PolarHBondContact O-N 2.96Å; H418-K421 PolarHBondContact O-N 3.15Å; H418-I423 WeakPolarHBondContact CA-O 3.28Å; H418-I423 HydrophobicContact CB-CG1 4.42Å; H418-I423 PolarHBondContact ND1-O 3.36Å; H418-L425 HydrophobicContact CB-CB 3.72Å; H418-L425 PolarHBondContact ND1-N 2.61Å; H418-L425 VanDerWaalsContact ND1-N 3.11Å; H418-Q427 PolarHBondContact CD2-NE2 3.33Å; H418-Q427 VanDerWaalsContact CD2-NE2 3.28Å; H418-Q427 PolarHBondContact NE2-NE2 3.15Å
419	D	98.3	Very high	96.7	Very high	87 Å²	87	59.6 Å²	59.6	47%	0.465	29%	0.285	S	S	.	.	H	α-helix	trans	-61.2	-31	179.8	-65.6	-15.7	0	0	0	111	K415 W416 K421	K415-D419 WeakPolarHBondContact CE-OD2 3.26Å; K415-D419 WeakPolarHBondContact CG-OD2 3.33Å; K415-D419 VanDerWaalsContact NZ-CG 3.32Å; K415-D419 IonicContact NZ-OD1 2.73Å; K415-D419 PolarHBondContact NZ-OD1 2.95Å; K415-D419 IonicContact NZ-OD2 3.44Å; K415-D419 PolarHBondContact NZ-OD2 2.93Å; K415-D419 WeakPolarHBondContact O-CB 3.42Å; K415-D419 PolarHBondContact O-N 3.46Å; W416-D419 PolarHBondContact O-N 3.26Å; D419-K421 VanDerWaalsContact C-N 3.32Å
420	K	97.9	Very high	96.6	Very high	91 Å²	91	59.8 Å²	59.8	40%	0.396	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	6.3	174.5	-62.1	-57.1	-171	134.9	0	114.7	D136 W416 H418 I422	D136-K420 WeakPolarHBondContact OD2-CD 3.45Å; D136-K420 WeakPolarHBondContact OD2-CE 3.36Å; D136-K420 IonicContact OD2-NZ 2.74Å; D136-K420 PolarHBondContact OD2-NZ 2.99Å; W416-K420 HydrophobicContact CD2-CG 4.41Å; W416-K420 HydrophobicContact CZ2-CG 4.41Å; W416-K420 WeakPolarHBondContact O-CB 3.43Å; W416-K420 VanDerWaalsContact O-CG 3.3Å; W416-K420 WeakPolarHBondContact O-CG 3.36Å; W416-K420 PolarHBondContact O-N 3.37Å; H418-K420 PolarHBondContact O-N 2.96Å; K420-I422 HydrophobicContact CB-CD1 3.79Å; K420-I422 HydrophobicContact CB-CG1 4.18Å; K420-I422 PolarHBondContact O-N 3.33Å; K420-I422 VanDerWaalsContact O-N 3.17Å
421	K	97.7	Very high	96.5	Very high	194 Å²	194	62.6 Å²	62.6	84%	0.843	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	23.7	178.9	-52.2	175.8	-178.9	174.1	0	114.2	L417 H418 D419	L417-K421 PolarHBondContact O-N 3.39Å; H418-K421 PolarHBondContact O-N 3.15Å; D419-K421 VanDerWaalsContact C-N 3.32Å
422	I	98.4	Very high	96.4	Very high	6 Å²	6	65.1 Å²	65.1	3%	0.031	31%	0.311	C	S	.	.	S	Bend	trans	-80	-34.4	175.1	-63.1	158.2	0	0	0	110.1	L131 F139 L367 W416 L417 K420	L131-I422 HydrophobicContact CB-CG2 4.24Å; F139-I422 HydrophobicContact CB-CD1 3.65Å; F139-I422 HydrophobicContact CD1-CD1 4.1Å; F139-I422 HydrophobicContact CD1-CG1 4.41Å; F139-I422 HydrophobicContact CD2-CD1 3.62Å; F139-I422 HydrophobicContact CD2-CG1 4.48Å; F139-I422 HydrophobicContact CD2-CG2 4.28Å; F139-I422 HydrophobicContact CE1-CG2 4.24Å; F139-I422 HydrophobicContact CE2-CD1 4.27Å; F139-I422 HydrophobicContact CE2-CG2 3.81Å; F139-I422 HydrophobicContact CG-CD1 3.51Å; F139-I422 HydrophobicContact CG-CG1 4.28Å; F139-I422 HydrophobicContact CZ-CG2 3.78Å; L367-I422 HydrophobicContact CD2-CG2 4.34Å; W416-I422 HydrophobicContact CH2-CD1 4.24Å; W416-I422 HydrophobicContact CZ3-CD1 4.26Å; L417-I422 HydrophobicContact CB-CB 4.42Å; L417-I422 HydrophobicContact CD2-CB 4Å; L417-I422 HydrophobicContact CD2-CD1 3.79Å; L417-I422 HydrophobicContact CD2-CG2 3.77Å; L417-I422 WeakPolarHBondContact O-CB 3.42Å; L417-I422 PolarHBondContact O-N 3.37Å; K420-I422 HydrophobicContact CB-CD1 3.79Å; K420-I422 HydrophobicContact CB-CG1 4.18Å; K420-I422 PolarHBondContact O-N 3.33Å; K420-I422 VanDerWaalsContact O-N 3.17Å
423	I	98.6	Very high	96.3	Very high	8 Å²	8	64.3 Å²	64.3	4%	0.041	31%	0.305	C	S	.	.	S	Bend	trans	-132.4	160.2	170.6	72.3	-179.8	0	0	0	111	L367 V373 A375 L417 H418	L367-I423 HydrophobicContact CD2-CG2 3.57Å; V373-I423 HydrophobicContact CB-CG2 4.14Å; V373-I423 HydrophobicContact CG1-CG2 4.23Å; V373-I423 CarbonylContact O-C 3.55Å; V373-I423 VanDerWaalsContact O-CA 3.3Å; V373-I423 WeakPolarHBondContact O-CA 3.42Å; V373-I423 WeakPolarHBondContact O-CB 3.45Å; A375-I423 HydrophobicContact CB-CD1 4.24Å; L417-I423 HydrophobicContact CB-CD1 3.81Å; L417-I423 HydrophobicContact CB-CG1 3.74Å; L417-I423 HydrophobicContact CB-CG2 4.39Å; L417-I423 HydrophobicContact CD1-CD1 4.19Å; L417-I423 PolarHBondContact O-N 3.44Å; H418-I423 WeakPolarHBondContact CA-O 3.28Å; H418-I423 HydrophobicContact CB-CG1 4.42Å; H418-I423 PolarHBondContact ND1-O 3.36Å
424	K	98.7	Very high	96.1	Very high	106 Å²	106	67.3 Å²	67.3	46%	0.461	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	111.5	161.8	-175.4	-173.8	178.1	-169.6	0	109	E225 V373 S374 A375	E225-K424 IonicContact OE1-NZ 2.7Å; E225-K424 PolarHBondContact OE1-NZ 3.16Å; V373-K424 PolarHBondContact O-N 2.96Å; S374-K424 CarbonylContact C-O 3.12Å; S374-K424 VanDerWaalsContact CA-O 3.26Å; S374-K424 WeakPolarHBondContact CA-O 3.31Å; A375-K424 PolarHBondContact N-O 3.23Å
425	L	98.8	Very high	95.9	Very high	8 Å²	8	71.7 Å²	71.7	4%	0.042	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	123.2	174.1	180	65.6	0	0	0	109.7	A375 F378 T380 W414 H418 Q427	A375-L425 HydrophobicContact CB-CD1 3.96Å; F378-L425 HydrophobicContact CB-CD1 4.16Å; T380-L425 HydrophobicContact CG2-CD2 4.42Å; W414-L425 HydrophobicContact CB-CD1 4.25Å; W414-L425 HydrophobicContact CB-CD2 3.88Å; H418-L425 HydrophobicContact CB-CB 3.72Å; H418-L425 PolarHBondContact ND1-N 2.61Å; H418-L425 VanDerWaalsContact ND1-N 3.11Å; L425-Q427 HydrophobicContact CD2-CG 4.13Å; L425-Q427 HydrophobicContact CG-CG 4.07Å; L425-Q427 PolarHBondContact O-N 3.12Å
426	Y	98.6	Very high	95.8	Very high	36 Å²	36	71.5 Å²	71.5	14%	0.141	34%	0.34	C	S	.	.			trans	-67.6	123.5	170.1	175	-106.2	0	0	0	110.3	I216 L217 S220 M222 A375 Y376 R428	I216-Y426 HydrophobicContact CD1-CD1 4.47Å; I216-Y426 HydrophobicContact CD1-CE1 4.39Å; I216-Y426 HydrophobicContact CG1-CD1 4.43Å; I216-Y426 HydrophobicContact CG1-CE1 4Å; L217-Y426 HydrophobicContact CD2-CD1 4.01Å; L217-Y426 HydrophobicContact CD2-CE1 4.07Å; S220-Y426 VanDerWaalsContact CB-OH 3.25Å; S220-Y426 WeakPolarHBondContact CB-OH 3.31Å; M222-Y426 HydrophobicContact CE-CD2 3.72Å; M222-Y426 HydrophobicContact CE-CE2 3.91Å; M222-Y426 HydrophobicContact CG-CD2 3.97Å; M222-Y426 HydrophobicContact CG-CE1 4.26Å; M222-Y426 HydrophobicContact CG-CE2 3.58Å; M222-Y426 HydrophobicContact CG-CG 4.48Å; M222-Y426 HydrophobicContact SD-CD2 3.91Å; M222-Y426 HydrophobicContact SD-CE2 3.44Å; M222-Y426 WeakPolarHBondContact SD-CE2 3.41Å; A375-Y426 WeakPolarHBondContact O-CB 3.41Å; A375-Y426 PolarHBondContact O-N 3.23Å; Y376-Y426 HydrophobicContact CD1-CG 4.05Å; Y426-R428 HydrophobicContact CE1-CG 4.15Å; Y426-R428 WeakPolarHBondContact OH-CG 3.48Å; Y426-R428 PolarHBondContact OH-NE 3.37Å
427	Q	97.1	Very high	95.5	Very high	74 Å²	74	71.8 Å²	71.8	35%	0.346	35%	0.347	S	S	.	.			trans	-133.2	148.3	176.2	-61.3	176.7	87.2	0	0	107.5	T380 H418 L425	T380-Q427 HydrophobicContact CG2-CG 3.95Å; H418-Q427 PolarHBondContact CD2-NE2 3.33Å; H418-Q427 VanDerWaalsContact CD2-NE2 3.28Å; H418-Q427 PolarHBondContact NE2-NE2 3.15Å; L425-Q427 HydrophobicContact CD2-CG 4.13Å; L425-Q427 HydrophobicContact CG-CG 4.07Å; L425-Q427 PolarHBondContact O-N 3.12Å
428	R	90.3	Very high	95.3	Very high	68 Å²	68	77.8 Å²	77.8	26%	0.257	38%	0.376	S	S	.	.			trans	-91.7	140.1	172.4	-72.7	-177.6	179.9	-162.4	6.5	109.4	I216 N218 Y386 Y426	I216-R428 HydrophobicContact CD1-CG 4.28Å; I216-R428 HydrophobicContact CG1-CG 3.93Å; I216-R428 PolarHBondContact O-NE 3.38Å; I216-R428 PolarHBondContact O-NH2 3.39Å; N218-R428 VanDerWaalsContact C-NH2 3.35Å; N218-R428 PolarHBondContact O-NH1 3.29Å; N218-R428 PolarHBondContact O-NH2 3.01Å; Y386-R428 WeakPolarHBondContact OH-CB 3.36Å; Y386-R428 VanDerWaalsContact OH-CD 3.31Å; Y386-R428 WeakPolarHBondContact OH-CD 3.35Å; Y426-R428 HydrophobicContact CE1-CG 4.15Å; Y426-R428 WeakPolarHBondContact OH-CG 3.48Å; Y426-R428 PolarHBondContact OH-NE 3.37Å
429	T	70.5	Confident	95	Very high	201 Å²	201	79.9 Å²	79.9	100%	1.233	39%	0.387	S	S	*	.			trans	-74.2	0	171.5	50.8	0	0	0	0	111.3

Retrieved 429 of 429 residues in 126.6 ms (Link to these results)

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