A0A5K4F514_SCHMA Loading...

GT23 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F514, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 599 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.9	Very low	40	Very low	237 Å²	237	142 Å²	142	100%	1.167	74%	0.735	S	S	*	*				0	85.8	0	-93	174.5	160.3	0	0	108.5	V3	M1-V3 PolarHBondContact O-N 3.28Å; M1-V3 VanDerWaalsContact O-N 3.15Å
2	V	33.9	Very low	40.5	Very low	137 Å²	137	136.3 Å²	136.3	83%	0.83	71%	0.711	S	S	*	*			trans	-82.1	97.8	177	179.2	0	0	0	0	106.6	T4	V2-T4 VanDerWaalsContact C-N 3.31Å; V2-T4 PolarHBondContact O-N 3.13Å
3	V	38	Very low	41.2	Very low	125 Å²	125	139.6 Å²	139.6	76%	0.758	71%	0.709	S	S	*	*			trans	-62.3	97.4	169.2	178.4	0	0	0	0	106.2	M1 S5	M1-V3 PolarHBondContact O-N 3.28Å; M1-V3 VanDerWaalsContact O-N 3.15Å; V3-S5 VanDerWaalsContact C-N 3.31Å; V3-S5 PolarHBondContact O-N 3.33Å
4	T	36	Very low	42	Very low	126 Å²	126	134.8 Å²	134.8	77%	0.773	69%	0.691	S	S	*	*			trans	-59.7	100.4	170.9	34.9	0	0	0	0	107.8	V2	V2-T4 VanDerWaalsContact C-N 3.31Å; V2-T4 PolarHBondContact O-N 3.13Å
5	S	36.9	Very low	42.8	Very low	76 Å²	76	133.9 Å²	133.9	53%	0.531	69%	0.688	S	S	.	*			trans	-49.2	135.7	-178	-178.5	0	0	0	0	111.4	V3 K7	V3-S5 VanDerWaalsContact C-N 3.31Å; V3-S5 PolarHBondContact O-N 3.33Å; S5-K7 PolarHBondContact O-N 3.34Å
6	F	39.4	Very low	44	Very low	170 Å²	170	132 Å²	132	75%	0.746	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-52.5	12.3	171.6	-89.3	-98	0	0	0	116	N8 L9	F6-N8 VanDerWaalsContact C-N 3.32Å; F6-N8 PolarHBondContact O-N 2.99Å; F6-L9 HydrophobicContact CD1-CD1 3.73Å; F6-L9 HydrophobicContact CE1-CD1 4.05Å; F6-L9 PolarHBondContact O-N 3.25Å
7	K	41	Very low	45.3	Very low	157 Å²	157	129.5 Å²	129.5	68%	0.683	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-68.7	-22.6	-178.6	-80.9	-176.9	174.4	-176.5	0	114.3	S5 L9	S5-K7 PolarHBondContact O-N 3.34Å; K7-L9 VanDerWaalsContact C-N 3.31Å; K7-L9 PolarHBondContact O-N 2.98Å
8	N	44.6	Very low	46.6	Very low	137 Å²	137	126.7 Å²	126.7	73%	0.733	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-78.6	-9.8	178	-74.9	-9.2	0	0	0	114.5	F6 F10	F6-N8 VanDerWaalsContact C-N 3.32Å; F6-N8 PolarHBondContact O-N 2.99Å; N8-F10 VanDerWaalsContact C-N 3.26Å; N8-F10 PolarHBondContact O-N 3.39Å
9	L	40	Very low	47.8	Very low	108 Å²	108	122.6 Å²	122.6	57%	0.565	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-74.1	-15.5	175.9	-105.8	126.2	0	0	0	113.6	F6 K7 H11 V12	F6-L9 HydrophobicContact CD1-CD1 3.73Å; F6-L9 HydrophobicContact CE1-CD1 4.05Å; F6-L9 PolarHBondContact O-N 3.25Å; K7-L9 VanDerWaalsContact C-N 3.31Å; K7-L9 PolarHBondContact O-N 2.98Å; L9-H11 PolarHBondContact O-N 3.03Å; L9-V12 PolarHBondContact O-N 3.37Å
10	F	43.1	Very low	49.1	Very low	143 Å²	143	120.5 Å²	120.5	63%	0.627	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-68.5	-21	178	-80.1	-80.7	0	0	0	113.6	N8 P14	N8-F10 VanDerWaalsContact C-N 3.26Å; N8-F10 PolarHBondContact O-N 3.39Å; F10-P14 WeakPolarHBondContact O-CD 3.39Å
11	H	50.4	Low	50.2	Low	146 Å²	146	117.1 Å²	117.1	68%	0.676	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-80.8	-15.1	177.6	-75.5	-59.9	0	0	0	114.4	L9	L9-H11 PolarHBondContact O-N 3.03Å
12	V	45.5	Very low	51.9	Low	73 Å²	73	111.3 Å²	111.3	44%	0.442	60%	0.601	S	S	.	*	H	α-helix	trans	-88.6	-32.5	-178.7	-171.6	0	0	0	0	112	L9 L15 I16	L9-V12 PolarHBondContact O-N 3.37Å; V12-L15 PolarHBondContact O-N 3.27Å; V12-I16 HydrophobicContact CG1-CD1 3.8Å; V12-I16 HydrophobicContact CG1-CG1 4.17Å; V12-I16 PolarHBondContact O-N 3.48Å; V12-I16 VanDerWaalsContact O-N 3.12Å
13	R	49.5	Very low	53.6	Low	180 Å²	180	110.8 Å²	110.8	68%	0.679	58%	0.584	S	S	*	*	H	α-helix	trans	-57	-43.9	179	-91.2	-177.1	170.4	175.2	-2.9	114.2	L15 I16 T17	R13-L15 VanDerWaalsContact C-N 3.31Å; R13-L15 PolarHBondContact O-N 3.09Å; R13-I16 PolarHBondContact O-N 3.12Å; R13-T17 WeakPolarHBondContact O-CB 3.2Å; R13-T17 WeakPolarHBondContact O-CG2 3.26Å; R13-T17 PolarHBondContact O-N 3.25Å; R13-T17 PolarHBondContact O-OG1 3.05Å
14	P	53.2	Low	55.4	Low	72 Å²	72	109 Å²	109	47%	0.468	57%	0.569	S	S	.	*	H	α-helix	trans	-62.6	-36.5	177.7	-22.1	32.1	0	0	0	112.9	F10 T17 T18	F10-P14 WeakPolarHBondContact O-CD 3.39Å; P14-T17 WeakPolarHBondContact CA-OG1 3.35Å; P14-T17 PolarHBondContact O-OG1 2.86Å; P14-T18 WeakPolarHBondContact O-CB 3.29Å; P14-T18 WeakPolarHBondContact O-CG2 3.49Å; P14-T18 PolarHBondContact O-N 2.9Å; P14-T18 PolarHBondContact O-OG1 3.46Å
15	L	53.5	Low	57.1	Low	122 Å²	122	106.7 Å²	106.7	64%	0.639	56%	0.557	S	S	*	*	H	α-helix	trans	-69.8	-43.5	179.4	-88.8	154	0	0	0	112.1	V12 R13 T18 A19	V12-L15 PolarHBondContact O-N 3.27Å; R13-L15 VanDerWaalsContact C-N 3.31Å; R13-L15 PolarHBondContact O-N 3.09Å; L15-T18 WeakPolarHBondContact CA-OG1 3.48Å; L15-T18 PolarHBondContact O-OG1 2.93Å; L15-A19 WeakPolarHBondContact O-CB 3.33Å; L15-A19 PolarHBondContact O-N 3.49Å
16	I	62.1	Low	58.7	Low	103 Å²	103	106.4 Å²	106.4	53%	0.528	55%	0.552	S	S	.	*	H	α-helix	trans	-66	-43.7	177.5	-63.9	173.7	0	0	0	110.3	V12 R13 A19 V20	V12-I16 HydrophobicContact CG1-CD1 3.8Å; V12-I16 HydrophobicContact CG1-CG1 4.17Å; V12-I16 PolarHBondContact O-N 3.48Å; V12-I16 VanDerWaalsContact O-N 3.12Å; R13-I16 PolarHBondContact O-N 3.12Å; I16-A19 PolarHBondContact O-N 3.3Å; I16-V20 HydrophobicContact CG2-CG2 4.41Å; I16-V20 VanDerWaalsContact O-CG2 3.28Å; I16-V20 WeakPolarHBondContact O-CG2 3.43Å; I16-V20 PolarHBondContact O-N 3.21Å
17	T	66	Low	60.2	Low	89 Å²	89	102.9 Å²	102.9	55%	0.546	54%	0.54	S	S	.	.	H	α-helix	trans	-66.1	-39.8	-179.8	47.1	0	0	0	0	112.5	R13 P14 V20 A21	R13-T17 WeakPolarHBondContact O-CB 3.2Å; R13-T17 WeakPolarHBondContact O-CG2 3.26Å; R13-T17 PolarHBondContact O-N 3.25Å; R13-T17 PolarHBondContact O-OG1 3.05Å; P14-T17 WeakPolarHBondContact CA-OG1 3.35Å; P14-T17 PolarHBondContact O-OG1 2.86Å; T17-V20 PolarHBondContact O-N 3.21Å; T17-A21 WeakPolarHBondContact O-CB 3.47Å; T17-A21 PolarHBondContact O-N 3.47Å
18	T	68.4	Low	61.5	Low	79 Å²	79	99.7 Å²	99.7	49%	0.485	53%	0.53	S	S	.	.	H	α-helix	trans	-66.9	-40.6	174	41.7	0	0	0	0	112.6	P14 L15 A21 L22	P14-T18 WeakPolarHBondContact O-CB 3.29Å; P14-T18 WeakPolarHBondContact O-CG2 3.49Å; P14-T18 PolarHBondContact O-N 2.9Å; P14-T18 PolarHBondContact O-OG1 3.46Å; L15-T18 WeakPolarHBondContact CA-OG1 3.48Å; L15-T18 PolarHBondContact O-OG1 2.93Å; T18-A21 PolarHBondContact O-N 3.05Å; T18-L22 WeakPolarHBondContact O-CB 3.45Å; T18-L22 PolarHBondContact O-N 3.13Å
19	A	69.8	Low	62.7	Low	49 Å²	49	100.7 Å²	100.7	41%	0.405	52%	0.524	S	S	.	.	H	α-helix	trans	-62.9	-42.4	175.7	0	0	0	0	0	112.3	L15 I16 W23	L15-A19 WeakPolarHBondContact O-CB 3.33Å; L15-A19 PolarHBondContact O-N 3.49Å; I16-A19 PolarHBondContact O-N 3.3Å; A19-W23 WeakPolarHBondContact O-CB 3.38Å; A19-W23 PolarHBondContact O-N 3.37Å
20	V	73.6	Confident	63.7	Low	81 Å²	81	98 Å²	98	49%	0.491	51%	0.51	S	S	.	.	H	α-helix	trans	-65.9	-42.4	175.7	172.7	0	0	0	0	111	I16 T17 W23 I24	I16-V20 HydrophobicContact CG2-CG2 4.41Å; I16-V20 VanDerWaalsContact O-CG2 3.28Å; I16-V20 WeakPolarHBondContact O-CG2 3.43Å; I16-V20 PolarHBondContact O-N 3.21Å; T17-V20 PolarHBondContact O-N 3.21Å; V20-W23 WeakPolarHBondContact O-CB 3.34Å; V20-W23 PolarHBondContact O-N 3.15Å; V20-I24 HydrophobicContact CG1-CD1 3.91Å; V20-I24 HydrophobicContact CG1-CG1 4.48Å; V20-I24 WeakPolarHBondContact O-CG1 3.37Å; V20-I24 PolarHBondContact O-N 3.18Å
21	A	72	Confident	64.8	Low	49 Å²	49	93.3 Å²	93.3	41%	0.405	50%	0.495	S	S	.	.	H	α-helix	trans	-63.4	-42.7	177.6	0	0	0	0	0	112.4	T17 T18 W23 I24 C25	T17-A21 WeakPolarHBondContact O-CB 3.47Å; T17-A21 PolarHBondContact O-N 3.47Å; T18-A21 PolarHBondContact O-N 3.05Å; A21-W23 VanDerWaalsContact C-N 3.34Å; A21-I24 PolarHBondContact O-N 3.24Å; A21-C25 PolarHBondContact O-N 2.65Å; A21-C25 PolarHBondContact O-SG 3.37Å
22	L	72.2	Confident	65.3	Low	116 Å²	116	93.6 Å²	93.6	61%	0.607	49%	0.494	S	S	*	.	H	α-helix	trans	-60.3	-43.7	173.4	-86.8	159.7	0	0	0	111.4	T18 I24 C25 V26	T18-L22 WeakPolarHBondContact O-CB 3.45Å; T18-L22 PolarHBondContact O-N 3.13Å; L22-I24 PolarHBondContact O-N 3.43Å; L22-C25 PolarHBondContact O-N 2.94Å; L22-V26 WeakPolarHBondContact O-CG2 3.38Å; L22-V26 PolarHBondContact O-N 3.42Å
23	W	71.4	Confident	66	Low	126 Å²	126	94 Å²	94	48%	0.477	49%	0.494	S	S	.	.	H	α-helix	trans	-61.3	-43	175.8	-104.2	91.3	0	0	0	112.8	A19 V20 A21 V26 I27 I54	A19-W23 WeakPolarHBondContact O-CB 3.38Å; A19-W23 PolarHBondContact O-N 3.37Å; V20-W23 WeakPolarHBondContact O-CB 3.34Å; V20-W23 PolarHBondContact O-N 3.15Å; A21-W23 VanDerWaalsContact C-N 3.34Å; W23-V26 PolarHBondContact O-N 2.9Å; W23-I27 HydrophobicContact CE3-CD1 4.06Å; W23-I27 HydrophobicContact CE3-CG1 4.33Å; W23-I27 WeakPolarHBondContact O-CG1 3.35Å; W23-I27 PolarHBondContact O-N 3.41Å; W23-I54 HydrophobicContact CH2-CG1 4.42Å; W23-I54 HydrophobicContact CH2-CG2 4.35Å
24	I	74.4	Confident	66.4	Low	87 Å²	87	87.9 Å²	87.9	45%	0.446	47%	0.473	S	S	.	.	H	α-helix	trans	-63	-43.3	175.4	-68.5	166.9	0	0	0	110.5	V20 A21 L22 V26 I27 I28	V20-I24 HydrophobicContact CG1-CD1 3.91Å; V20-I24 HydrophobicContact CG1-CG1 4.48Å; V20-I24 WeakPolarHBondContact O-CG1 3.37Å; V20-I24 PolarHBondContact O-N 3.18Å; A21-I24 PolarHBondContact O-N 3.24Å; L22-I24 PolarHBondContact O-N 3.43Å; I24-V26 VanDerWaalsContact C-N 3.32Å; I24-V26 PolarHBondContact O-N 3.19Å; I24-I27 PolarHBondContact O-N 3.39Å; I24-I28 HydrophobicContact CG2-CD1 3.67Å; I24-I28 HydrophobicContact CG2-CG1 4.29Å; I24-I28 VanDerWaalsContact O-CG1 3.29Å; I24-I28 WeakPolarHBondContact O-CG1 3.28Å; I24-I28 PolarHBondContact O-N 2.93Å
25	C	71.4	Confident	66.7	Low	78 Å²	78	92.8 Å²	92.8	53%	0.527	49%	0.487	S	S	.	.	H	α-helix	trans	-62	-40.4	177.6	-67	0	0	0	0	112	A21 L22 I28 Y29	A21-C25 PolarHBondContact O-N 2.65Å; A21-C25 PolarHBondContact O-SG 3.37Å; L22-C25 PolarHBondContact O-N 2.94Å; C25-I28 PolarHBondContact O-N 3.46Å; C25-Y29 VanDerWaalsContact O-CB 3.31Å; C25-Y29 WeakPolarHBondContact O-CB 3.33Å; C25-Y29 PolarHBondContact O-N 3.23Å
26	V	70.5	Confident	67	Low	70 Å²	70	93.1 Å²	93.1	42%	0.424	49%	0.489	S	S	.	.	H	α-helix	trans	-63.1	-46.2	174.6	169.9	0	0	0	0	110.5	L22 W23 I24 I28 Y29 L30	L22-V26 WeakPolarHBondContact O-CG2 3.38Å; L22-V26 PolarHBondContact O-N 3.42Å; W23-V26 PolarHBondContact O-N 2.9Å; I24-V26 VanDerWaalsContact C-N 3.32Å; I24-V26 PolarHBondContact O-N 3.19Å; V26-I28 VanDerWaalsContact C-N 3.35Å; V26-I28 PolarHBondContact O-N 3.24Å; V26-Y29 PolarHBondContact O-N 3.01Å; V26-L30 HydrophobicContact CG1-CD1 3.45Å; V26-L30 VanDerWaalsContact CG1-CD1 3.45Å; V26-L30 HydrophobicContact CG1-CG 4.27Å; V26-L30 VanDerWaalsContact O-CB 3.24Å; V26-L30 WeakPolarHBondContact O-CB 3.38Å; V26-L30 WeakPolarHBondContact O-CD1 3.31Å; V26-L30 WeakPolarHBondContact O-CG 3.38Å; V26-L30 PolarHBondContact O-N 3.37Å
27	I	71.1	Confident	66.8	Low	95 Å²	95	90.7 Å²	90.7	49%	0.487	48%	0.477	S	S	.	.	H	α-helix	trans	-60.8	-43.1	176.9	-69.2	167.7	0	0	0	111.4	W23 I24 L30 S31	W23-I27 HydrophobicContact CE3-CD1 4.06Å; W23-I27 HydrophobicContact CE3-CG1 4.33Å; W23-I27 WeakPolarHBondContact O-CG1 3.35Å; W23-I27 PolarHBondContact O-N 3.41Å; I24-I27 PolarHBondContact O-N 3.39Å; I27-L30 PolarHBondContact O-N 3.27Å; I27-S31 WeakPolarHBondContact O-CB 3.36Å; I27-S31 PolarHBondContact O-N 2.98Å; I27-S31 PolarHBondContact O-OG 3.28Å
28	I	69.9	Low	66.7	Low	90 Å²	90	95.7 Å²	95.7	46%	0.462	49%	0.494	S	S	.	.	H	α-helix	trans	-65.2	-49	178.7	-68.8	168.7	0	0	0	110.9	I24 C25 V26 L30 S31 F32	I24-I28 HydrophobicContact CG2-CD1 3.67Å; I24-I28 HydrophobicContact CG2-CG1 4.29Å; I24-I28 VanDerWaalsContact O-CG1 3.29Å; I24-I28 WeakPolarHBondContact O-CG1 3.28Å; I24-I28 PolarHBondContact O-N 2.93Å; C25-I28 PolarHBondContact O-N 3.46Å; V26-I28 VanDerWaalsContact C-N 3.35Å; V26-I28 PolarHBondContact O-N 3.24Å; I28-L30 VanDerWaalsContact C-N 3.25Å; I28-L30 PolarHBondContact O-N 3.28Å; I28-S31 WeakPolarHBondContact CA-OG 3.39Å; I28-S31 PolarHBondContact O-N 2.99Å; I28-S31 PolarHBondContact O-OG 3.3Å; I28-F32 HydrophobicContact CG2-CD2 4.43Å; I28-F32 PolarHBondContact O-N 3.48Å
29	Y	67.8	Low	66.7	Low	159 Å²	159	94.1 Å²	94.1	62%	0.624	49%	0.486	S	S	*	.	H	α-helix	trans	-60.3	-39	179	178.5	-99.9	0	0	0	111.8	C25 V26 N33	C25-Y29 VanDerWaalsContact O-CB 3.31Å; C25-Y29 WeakPolarHBondContact O-CB 3.33Å; C25-Y29 PolarHBondContact O-N 3.23Å; V26-Y29 PolarHBondContact O-N 3.01Å; Y29-N33 WeakPolarHBondContact CE1-ND2 3.44Å; Y29-N33 VanDerWaalsContact CZ-ND2 3.33Å; Y29-N33 PolarHBondContact O-N 3.03Å; Y29-N33 PolarHBondContact O-ND2 3.21Å
30	L	62.4	Low	66.6	Low	52 Å²	52	95.9 Å²	95.9	27%	0.272	50%	0.496	S	S	.	.	H	α-helix	trans	-73.4	-43.9	-180	-70.7	170.5	0	0	0	112.1	V26 I27 I28 F32 N33 F34 L50	V26-L30 HydrophobicContact CG1-CD1 3.45Å; V26-L30 VanDerWaalsContact CG1-CD1 3.45Å; V26-L30 HydrophobicContact CG1-CG 4.27Å; V26-L30 VanDerWaalsContact O-CB 3.24Å; V26-L30 WeakPolarHBondContact O-CB 3.38Å; V26-L30 WeakPolarHBondContact O-CD1 3.31Å; V26-L30 WeakPolarHBondContact O-CG 3.38Å; V26-L30 PolarHBondContact O-N 3.37Å; I27-L30 PolarHBondContact O-N 3.27Å; I28-L30 VanDerWaalsContact C-N 3.25Å; I28-L30 PolarHBondContact O-N 3.28Å; L30-F32 VanDerWaalsContact C-N 3.3Å; L30-F32 PolarHBondContact O-N 3.06Å; L30-N33 PolarHBondContact O-N 2.92Å; L30-F34 WeakPolarHBondContact O-CB 3.29Å; L30-F34 PolarHBondContact O-N 3.43Å; L30-L50 HydrophobicContact CB-CD1 4.04Å; L30-L50 HydrophobicContact CD1-CD1 4.04Å; L30-L50 HydrophobicContact CD1-CD2 3.8Å; L30-L50 HydrophobicContact CD1-CG 3.88Å; L30-L50 HydrophobicContact CD2-CD1 3.85Å; L30-L50 HydrophobicContact CD2-CG 4.08Å; L30-L50 HydrophobicContact CG-CD1 4.19Å; L30-L50 HydrophobicContact CG-CG 4.46Å
31	S	65.3	Low	66.5	Low	44 Å²	44	98.1 Å²	98.1	31%	0.308	51%	0.505	S	S	.	.	H	α-helix	trans	-60.2	-40.3	175.4	44.1	0	0	0	0	111.7	I27 I28 N33 F34 F35	I27-S31 WeakPolarHBondContact O-CB 3.36Å; I27-S31 PolarHBondContact O-N 2.98Å; I27-S31 PolarHBondContact O-OG 3.28Å; I28-S31 WeakPolarHBondContact CA-OG 3.39Å; I28-S31 PolarHBondContact O-N 2.99Å; I28-S31 PolarHBondContact O-OG 3.3Å; S31-N33 PolarHBondContact O-N 3.25Å; S31-F34 PolarHBondContact O-N 3.4Å; S31-F35 WeakPolarHBondContact O-CD2 3.12Å; S31-F35 PolarHBondContact O-N 3.16Å; S31-F35 VanDerWaalsContact O-N 3.16Å
32	F	61.8	Low	66.2	Low	151 Å²	151	100.7 Å²	100.7	66%	0.662	51%	0.509	S	S	*	.	H	α-helix	trans	-60.1	-41.6	174.8	-112.7	-86.3	0	0	0	113.6	I28 L30	I28-F32 HydrophobicContact CG2-CD2 4.43Å; I28-F32 PolarHBondContact O-N 3.48Å; L30-F32 VanDerWaalsContact C-N 3.3Å; L30-F32 PolarHBondContact O-N 3.06Å
33	N	59.8	Low	65.6	Low	81 Å²	81	98.9 Å²	98.9	43%	0.433	50%	0.497	S	S	.	.	H	α-helix	trans	-74.7	-29.7	177.9	-76.6	-57	0	0	0	112.5	Y29 L30 S31	Y29-N33 WeakPolarHBondContact CE1-ND2 3.44Å; Y29-N33 VanDerWaalsContact CZ-ND2 3.33Å; Y29-N33 PolarHBondContact O-N 3.03Å; Y29-N33 PolarHBondContact O-ND2 3.21Å; L30-N33 PolarHBondContact O-N 2.92Å; S31-N33 PolarHBondContact O-N 3.25Å
34	F	57.5	Low	65.5	Low	53 Å²	53	96.7 Å²	96.7	23%	0.232	50%	0.501	C	S	.	.	H	α-helix	trans	-70.6	-40.9	-178.7	-140.6	-88	0	0	0	112.9	L30 S31 N36 L37 Q43 A46 C47 L50	L30-F34 WeakPolarHBondContact O-CB 3.29Å; L30-F34 PolarHBondContact O-N 3.43Å; S31-F34 PolarHBondContact O-N 3.4Å; F34-N36 PolarHBondContact O-N 3.35Å; F34-L37 PolarHBondContact O-N 2.93Å; F34-Q43 HydrophobicContact CE1-CB 4.12Å; F34-Q43 HydrophobicContact CE1-CG 4.47Å; F34-Q43 WeakPolarHBondContact CZ-O 3.39Å; F34-A46 HydrophobicContact CD2-CB 4.37Å; F34-A46 HydrophobicContact CE2-CB 3.94Å; F34-C47 HydrophobicContact CE2-CB 4.02Å; F34-C47 HydrophobicContact CZ-CB 3.62Å; F34-L50 HydrophobicContact CD2-CD1 4.18Å; F34-L50 HydrophobicContact CE2-CD1 4.27Å
35	F	59.7	Low	65.1	Low	175 Å²	175	96.2 Å²	96.2	77%	0.768	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-9.1	-178.2	-76.6	-67.6	0	0	0	114.2	S31	S31-F35 WeakPolarHBondContact O-CD2 3.12Å; S31-F35 PolarHBondContact O-N 3.16Å; S31-F35 VanDerWaalsContact O-N 3.16Å
36	N	60	Low	64.9	Low	128 Å²	128	94 Å²	94	68%	0.684	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	10	178.6	-82.1	-14.6	0	0	0	114.2	F34	F34-N36 PolarHBondContact O-N 3.35Å
37	L	57.9	Low	64.6	Low	52 Å²	52	93.8 Å²	93.8	27%	0.272	49%	0.494	S	S	.	.			trans	-91.6	122.6	179	-67.8	168.9	0	0	0	111.2	F34 S39 Q42 Q43 A46	F34-L37 PolarHBondContact O-N 2.93Å; L37-S39 PolarHBondContact O-N 3.41Å; L37-Q42 HydrophobicContact CB-CB 4.38Å; L37-Q42 HydrophobicContact CD2-CB 4.24Å; L37-Q43 HydrophobicContact CB-CG 3.74Å; L37-Q43 HydrophobicContact CD1-CG 4.42Å; L37-Q43 PolarHBondContact O-NE2 3.47Å; L37-A46 HydrophobicContact CD1-CB 3.74Å
38	E	63.2	Low	64.6	Low	195 Å²	195	94.5 Å²	94.5	91%	0.911	50%	0.495	S	S	*	.			trans	-76.8	-14.8	-171	-68.5	-177.2	159.4	0	0	114.8
39	S	69.2	Low	64.6	Low	45 Å²	45	93.2 Å²	93.2	32%	0.315	49%	0.494	S	S	.	.	S	Bend	trans	-128	145	-176.8	66.6	0	0	0	0	113.3	L37 D41 Q42 Q43	L37-S39 PolarHBondContact O-N 3.41Å; S39-D41 PolarHBondContact O-N 2.98Å; S39-Q42 PolarHBondContact O-N 2.71Å; S39-Q42 WeakPolarHBondContact OG-CB 3.34Å; S39-Q42 VanDerWaalsContact OG-CG 3.28Å; S39-Q42 WeakPolarHBondContact OG-CG 3.48Å; S39-Q42 PolarHBondContact OG-N 2.88Å; S39-Q42 PolarHBondContact OG-OE1 2.68Å; S39-Q43 WeakPolarHBondContact O-CG 3.45Å; S39-Q43 PolarHBondContact O-N 3.39Å
40	S	68.3	Low	64.6	Low	86 Å²	86	87.3 Å²	87.3	60%	0.601	47%	0.473	S	S	*	.	H	α-helix	trans	-59.2	-33.2	177.4	58.1	0	0	0	0	112.7	Q43 S44	S40-Q43 PolarHBondContact O-N 2.89Å; S40-S44 WeakPolarHBondContact O-CB 3.39Å; S40-S44 PolarHBondContact O-N 3.02Å
41	D	71.2	Confident	65.2	Low	129 Å²	129	89 Å²	89	69%	0.69	48%	0.482	S	S	*	.	H	α-helix	trans	-72.1	-41.1	-180	-71.2	-14	0	0	0	111.8	S39 Q43 S44 S45	S39-D41 PolarHBondContact O-N 2.98Å; D41-Q43 VanDerWaalsContact C-N 3.35Å; D41-S44 PolarHBondContact O-N 3.4Å; D41-S45 WeakPolarHBondContact O-CB 3.47Å; D41-S45 PolarHBondContact O-N 3.38Å
42	Q	64.6	Low	65.5	Low	103 Å²	103	91.7 Å²	91.7	48%	0.481	49%	0.493	S	S	.	.	H	α-helix	trans	-64.1	-41.2	172.8	-79.6	173.6	-34.1	0	0	111.5	L37 S39 S45 A46	L37-Q42 HydrophobicContact CB-CB 4.38Å; L37-Q42 HydrophobicContact CD2-CB 4.24Å; S39-Q42 PolarHBondContact O-N 2.71Å; S39-Q42 WeakPolarHBondContact OG-CB 3.34Å; S39-Q42 VanDerWaalsContact OG-CG 3.28Å; S39-Q42 WeakPolarHBondContact OG-CG 3.48Å; S39-Q42 PolarHBondContact OG-N 2.88Å; S39-Q42 PolarHBondContact OG-OE1 2.68Å; Q42-S45 PolarHBondContact O-N 2.97Å; Q42-A46 VanDerWaalsContact O-CB 3.25Å; Q42-A46 WeakPolarHBondContact O-CB 3.44Å; Q42-A46 PolarHBondContact O-N 3.47Å
43	Q	61.1	Low	65.9	Low	77 Å²	77	89.6 Å²	89.6	36%	0.36	49%	0.487	S	S	.	.	H	α-helix	trans	-61.2	-44.6	175.1	-70.7	176.1	4.1	0	0	111.3	F34 L37 S39 S40 D41 A46 C47	F34-Q43 HydrophobicContact CE1-CB 4.12Å; F34-Q43 HydrophobicContact CE1-CG 4.47Å; F34-Q43 WeakPolarHBondContact CZ-O 3.39Å; L37-Q43 HydrophobicContact CB-CG 3.74Å; L37-Q43 HydrophobicContact CD1-CG 4.42Å; L37-Q43 PolarHBondContact O-NE2 3.47Å; S39-Q43 WeakPolarHBondContact O-CG 3.45Å; S39-Q43 PolarHBondContact O-N 3.39Å; S40-Q43 PolarHBondContact O-N 2.89Å; D41-Q43 VanDerWaalsContact C-N 3.35Å; Q43-A46 PolarHBondContact O-N 2.91Å; Q43-C47 WeakPolarHBondContact O-CB 3.39Å; Q43-C47 PolarHBondContact O-N 2.88Å
44	S	68.4	Low	66.5	Low	81 Å²	81	88.7 Å²	88.7	57%	0.566	48%	0.482	S	S	*	.	H	α-helix	trans	-62.7	-46.2	176.6	-107	0	0	0	0	112.6	S40 D41 C47 Q48	S40-S44 WeakPolarHBondContact O-CB 3.39Å; S40-S44 PolarHBondContact O-N 3.02Å; D41-S44 PolarHBondContact O-N 3.4Å; S44-C47 WeakPolarHBondContact O-CB 3.49Å; S44-C47 PolarHBondContact O-N 3.38Å; S44-Q48 PolarHBondContact O-N 3.49Å
45	S	66.5	Low	67.3	Low	76 Å²	76	89.6 Å²	89.6	53%	0.531	49%	0.492	S	S	.	.	H	α-helix	trans	-64.4	-41.1	178.6	-179.2	0	0	0	0	112.4	D41 Q42 C47 Q48 S49	D41-S45 WeakPolarHBondContact O-CB 3.47Å; D41-S45 PolarHBondContact O-N 3.38Å; Q42-S45 PolarHBondContact O-N 2.97Å; S45-C47 VanDerWaalsContact C-N 3.34Å; S45-Q48 PolarHBondContact O-N 3.03Å; S45-S49 PolarHBondContact O-N 3.26Å; S45-S49 PolarHBondContact O-OG 2.93Å
46	A	66	Low	67.7	Low	31 Å²	31	83 Å²	83	26%	0.256	47%	0.474	S	S	.	.	H	α-helix	trans	-62.2	-42.9	172.5	0	0	0	0	0	110.9	F34 L37 Q42 Q43 Q48 S49 L50	F34-A46 HydrophobicContact CD2-CB 4.37Å; F34-A46 HydrophobicContact CE2-CB 3.94Å; L37-A46 HydrophobicContact CD1-CB 3.74Å; Q42-A46 VanDerWaalsContact O-CB 3.25Å; Q42-A46 WeakPolarHBondContact O-CB 3.44Å; Q42-A46 PolarHBondContact O-N 3.47Å; Q43-A46 PolarHBondContact O-N 2.91Å; A46-Q48 VanDerWaalsContact C-N 3.33Å; A46-Q48 PolarHBondContact O-N 3.16Å; A46-S49 PolarHBondContact O-N 3.12Å; A46-L50 WeakPolarHBondContact O-CB 3.46Å; A46-L50 PolarHBondContact O-N 2.75Å
47	C	66	Low	68	Low	67 Å²	67	81 Å²	81	45%	0.453	46%	0.463	S	S	.	.	H	α-helix	trans	-59.5	-44.7	177	-143.4	0	0	0	0	111.9	F34 Q43 S44 S45 L50 L51	F34-C47 HydrophobicContact CE2-CB 4.02Å; F34-C47 HydrophobicContact CZ-CB 3.62Å; Q43-C47 WeakPolarHBondContact O-CB 3.39Å; Q43-C47 PolarHBondContact O-N 2.88Å; S44-C47 WeakPolarHBondContact O-CB 3.49Å; S44-C47 PolarHBondContact O-N 3.38Å; S45-C47 VanDerWaalsContact C-N 3.34Å; C47-L50 PolarHBondContact O-N 3.44Å; C47-L51 WeakPolarHBondContact O-CB 3.4Å; C47-L51 PolarHBondContact O-N 2.97Å
48	Q	70.9	Confident	69	Low	110 Å²	110	85 Å²	85	51%	0.514	48%	0.477	S	S	.	.	H	α-helix	trans	-66.6	-45.7	-178	-156.5	67	16.9	0	0	111.3	S44 S45 A46 L50 L51 D52	S44-Q48 PolarHBondContact O-N 3.49Å; S45-Q48 PolarHBondContact O-N 3.03Å; A46-Q48 VanDerWaalsContact C-N 3.33Å; A46-Q48 PolarHBondContact O-N 3.16Å; Q48-L50 PolarHBondContact O-N 3.35Å; Q48-L51 WeakPolarHBondContact O-CB 3.45Å; Q48-L51 PolarHBondContact O-N 2.92Å; Q48-D52 VanDerWaalsContact O-CG 3.31Å; Q48-D52 PolarHBondContact O-N 3.35Å
49	S	68.4	Low	69.7	Low	62 Å²	62	79 Å²	79	43%	0.434	46%	0.455	S	S	.	.	H	α-helix	trans	-59.5	-37.8	176.1	-58	0	0	0	0	111.9	S45 A46 D52 I53	S45-S49 PolarHBondContact O-N 3.26Å; S45-S49 PolarHBondContact O-OG 2.93Å; A46-S49 PolarHBondContact O-N 3.12Å; S49-D52 PolarHBondContact O-N 3Å; S49-I53 VanDerWaalsContact O-CG1 3.31Å; S49-I53 WeakPolarHBondContact O-CG1 3.17Å; S49-I53 PolarHBondContact O-N 3.41Å; S49-I53 VanDerWaalsContact O-N 3.09Å
50	L	67.5	Low	69.6	Low	35 Å²	35	84 Å²	84	18%	0.183	47%	0.473	C	S	.	.	H	α-helix	trans	-73.9	-38.4	-179.7	-155.5	169.6	0	0	0	111.1	L30 F34 A46 C47 Q48 D52 I53 I54	L30-L50 HydrophobicContact CB-CD1 4.04Å; L30-L50 HydrophobicContact CD1-CD1 4.04Å; L30-L50 HydrophobicContact CD1-CD2 3.8Å; L30-L50 HydrophobicContact CD1-CG 3.88Å; L30-L50 HydrophobicContact CD2-CD1 3.85Å; L30-L50 HydrophobicContact CD2-CG 4.08Å; L30-L50 HydrophobicContact CG-CD1 4.19Å; L30-L50 HydrophobicContact CG-CG 4.46Å; F34-L50 HydrophobicContact CD2-CD1 4.18Å; F34-L50 HydrophobicContact CE2-CD1 4.27Å; A46-L50 WeakPolarHBondContact O-CB 3.46Å; A46-L50 PolarHBondContact O-N 2.75Å; C47-L50 PolarHBondContact O-N 3.44Å; Q48-L50 PolarHBondContact O-N 3.35Å; L50-D52 VanDerWaalsContact C-N 3.33Å; L50-I53 PolarHBondContact O-N 3.28Å; L50-I54 HydrophobicContact CD2-CD1 3.42Å; L50-I54 VanDerWaalsContact CD2-CD1 3.42Å; L50-I54 HydrophobicContact CD2-CG1 4.07Å; L50-I54 WeakPolarHBondContact O-CG1 3.38Å; L50-I54 PolarHBondContact O-N 2.93Å
51	L	76.1	Confident	69.8	Low	89 Å²	89	84.3 Å²	84.3	47%	0.466	47%	0.471	S	S	.	.	H	α-helix	trans	-61.5	-41.3	171.3	-171	69.8	0	0	0	111.3	C47 Q48 I54 T55	C47-L51 WeakPolarHBondContact O-CB 3.4Å; C47-L51 PolarHBondContact O-N 2.97Å; Q48-L51 WeakPolarHBondContact O-CB 3.45Å; Q48-L51 PolarHBondContact O-N 2.92Å; L51-I54 PolarHBondContact O-N 2.92Å; L51-T55 VanDerWaalsContact O-CB 3.26Å; L51-T55 WeakPolarHBondContact O-CB 3.5Å; L51-T55 PolarHBondContact O-N 2.87Å; L51-T55 PolarHBondContact O-OG1 3.48Å
52	D	71.7	Confident	70.4	Confident	99 Å²	99	82.2 Å²	82.2	53%	0.529	46%	0.46	S	S	.	.	H	α-helix	trans	-64.3	-43.2	177.3	-69.3	-22.9	0	0	0	111.6	Q48 S49 L50 T55 G56	Q48-D52 VanDerWaalsContact O-CG 3.31Å; Q48-D52 PolarHBondContact O-N 3.35Å; S49-D52 PolarHBondContact O-N 3Å; L50-D52 VanDerWaalsContact C-N 3.33Å; D52-T55 PolarHBondContact O-N 2.9Å; D52-G56 PolarHBondContact O-N 3.43Å
53	I	69.6	Low	70.6	Confident	108 Å²	108	81.8 Å²	81.8	55%	0.554	46%	0.46	S	S	*	.	H	α-helix	trans	-62	-48.5	175.1	-69.1	165.8	0	0	0	110.9	S49 L50 T55 G56 L57	S49-I53 VanDerWaalsContact O-CG1 3.31Å; S49-I53 WeakPolarHBondContact O-CG1 3.17Å; S49-I53 PolarHBondContact O-N 3.41Å; S49-I53 VanDerWaalsContact O-N 3.09Å; L50-I53 PolarHBondContact O-N 3.28Å; I53-T55 VanDerWaalsContact C-N 3.3Å; I53-T55 PolarHBondContact O-N 3.02Å; I53-G56 PolarHBondContact O-N 3.02Å; I53-L57 HydrophobicContact CG2-CD1 3.98Å; I53-L57 WeakPolarHBondContact O-CB 3.16Å; I53-L57 WeakPolarHBondContact O-CG 3.38Å; I53-L57 PolarHBondContact O-N 3.48Å
54	I	71.9	Confident	70.7	Confident	62 Å²	62	79.9 Å²	79.9	32%	0.318	46%	0.461	S	S	.	.	H	α-helix	trans	-61.4	-42.3	178.7	-72.5	172.7	0	0	0	110.5	W23 L50 L51 L57 K58	W23-I54 HydrophobicContact CH2-CG1 4.42Å; W23-I54 HydrophobicContact CH2-CG2 4.35Å; L50-I54 HydrophobicContact CD2-CD1 3.42Å; L50-I54 VanDerWaalsContact CD2-CD1 3.42Å; L50-I54 HydrophobicContact CD2-CG1 4.07Å; L50-I54 WeakPolarHBondContact O-CG1 3.38Å; L50-I54 PolarHBondContact O-N 2.93Å; L51-I54 PolarHBondContact O-N 2.92Å; I54-L57 PolarHBondContact O-N 2.91Å; I54-K58 WeakPolarHBondContact O-CB 3.25Å; I54-K58 PolarHBondContact O-N 3.19Å
55	T	75.3	Confident	71	Confident	71 Å²	71	78.3 Å²	78.3	44%	0.436	45%	0.45	S	S	.	.	H	α-helix	trans	-66.3	-40.9	179.4	-55.2	0	0	0	0	111	L51 D52 I53 K58 T59	L51-T55 VanDerWaalsContact O-CB 3.26Å; L51-T55 WeakPolarHBondContact O-CB 3.5Å; L51-T55 PolarHBondContact O-N 2.87Å; L51-T55 PolarHBondContact O-OG1 3.48Å; D52-T55 PolarHBondContact O-N 2.9Å; I53-T55 VanDerWaalsContact C-N 3.3Å; I53-T55 PolarHBondContact O-N 3.02Å; T55-K58 PolarHBondContact O-N 3.44Å; T55-T59 WeakPolarHBondContact O-CB 3.24Å; T55-T59 PolarHBondContact O-N 2.95Å; T55-T59 PolarHBondContact O-OG1 3.41Å
56	G	68.2	Low	71.4	Confident	38 Å²	38	76.7 Å²	76.7	39%	0.392	44%	0.441	S	S	.	.	H	α-helix	trans	-61.8	-46	173.6	0	0	0	0	0	112.6	D52 I53 T59 Q60	D52-G56 PolarHBondContact O-N 3.43Å; I53-G56 PolarHBondContact O-N 3.02Å; G56-T59 PolarHBondContact O-N 3.43Å; G56-Q60 PolarHBondContact O-N 2.88Å
57	L	65.5	Low	71.5	Confident	86 Å²	86	79.9 Å²	79.9	45%	0.45	45%	0.454	S	S	.	.	H	α-helix	trans	-63.1	-44.7	176.3	-75.7	170	0	0	0	112.1	I53 I54 T59 Q60 V61	I53-L57 HydrophobicContact CG2-CD1 3.98Å; I53-L57 WeakPolarHBondContact O-CB 3.16Å; I53-L57 WeakPolarHBondContact O-CG 3.38Å; I53-L57 PolarHBondContact O-N 3.48Å; I54-L57 PolarHBondContact O-N 2.91Å; L57-T59 VanDerWaalsContact C-N 3.31Å; L57-T59 PolarHBondContact O-N 3.43Å; L57-Q60 PolarHBondContact O-N 3.23Å; L57-V61 WeakPolarHBondContact O-CG2 3.32Å; L57-V61 PolarHBondContact O-N 2.95Å
58	K	80.2	Confident	71.5	Confident	134 Å²	134	81.7 Å²	81.7	58%	0.583	46%	0.458	S	S	*	.	H	α-helix	trans	-57.9	-46.5	175.3	-176.7	-173	173.2	-160.7	0	110.8	I54 T55 Q60 V61 D62	I54-K58 WeakPolarHBondContact O-CB 3.25Å; I54-K58 PolarHBondContact O-N 3.19Å; T55-K58 PolarHBondContact O-N 3.44Å; K58-Q60 VanDerWaalsContact C-N 3.3Å; K58-Q60 PolarHBondContact O-N 2.95Å; K58-V61 PolarHBondContact O-N 3.5Å; K58-V61 VanDerWaalsContact O-N 3.16Å; K58-D62 WeakPolarHBondContact O-CB 3.1Å; K58-D62 PolarHBondContact O-N 3.06Å
59	T	76.3	Confident	71.6	Confident	71 Å²	71	84.7 Å²	84.7	44%	0.436	47%	0.465	S	S	.	.	H	α-helix	trans	-59.3	-41.5	178.4	-52.6	0	0	0	0	111.3	T55 G56 L57 D62 I63	T55-T59 WeakPolarHBondContact O-CB 3.24Å; T55-T59 PolarHBondContact O-N 2.95Å; T55-T59 PolarHBondContact O-OG1 3.41Å; G56-T59 PolarHBondContact O-N 3.43Å; L57-T59 VanDerWaalsContact C-N 3.31Å; L57-T59 PolarHBondContact O-N 3.43Å; T59-D62 PolarHBondContact O-N 3.35Å; T59-I63 HydrophobicContact CG2-CD1 4.07Å; T59-I63 VanDerWaalsContact O-CG1 3.25Å; T59-I63 WeakPolarHBondContact O-CG1 3.31Å; T59-I63 PolarHBondContact O-N 3.43Å
60	Q	68.4	Low	71.6	Confident	150 Å²	150	87.3 Å²	87.3	70%	0.701	47%	0.473	S	S	*	.	H	α-helix	trans	-66.5	-40.3	175.4	-72.5	-146	-5.5	0	0	113.4	G56 L57 K58 D62 I63 G64	G56-Q60 PolarHBondContact O-N 2.88Å; L57-Q60 PolarHBondContact O-N 3.23Å; K58-Q60 VanDerWaalsContact C-N 3.3Å; K58-Q60 PolarHBondContact O-N 2.95Å; Q60-D62 VanDerWaalsContact C-N 3.32Å; Q60-I63 PolarHBondContact O-N 3.17Å; Q60-G64 PolarHBondContact O-N 3.26Å
61	V	72.4	Confident	71.6	Confident	91 Å²	91	91.4 Å²	91.4	55%	0.552	49%	0.489	S	S	*	.	H	α-helix	trans	-64.6	-39.2	175.6	171.6	0	0	0	0	111	L57 K58 G64 S65	L57-V61 WeakPolarHBondContact O-CG2 3.32Å; L57-V61 PolarHBondContact O-N 2.95Å; K58-V61 PolarHBondContact O-N 3.5Å; K58-V61 VanDerWaalsContact O-N 3.16Å; V61-G64 PolarHBondContact O-N 3.38Å; V61-S65 VanDerWaalsContact O-CB 3.25Å; V61-S65 WeakPolarHBondContact O-CB 3.33Å; V61-S65 PolarHBondContact O-N 2.92Å; V61-S65 PolarHBondContact O-OG 3.32Å
62	D	83.4	Confident	71.2	Confident	86 Å²	86	90.9 Å²	90.9	46%	0.46	49%	0.486	S	S	.	.	H	α-helix	trans	-66.5	-43.8	176.9	-73	-24.6	0	0	0	111.2	K58 T59 Q60 S65 A66	K58-D62 WeakPolarHBondContact O-CB 3.1Å; K58-D62 PolarHBondContact O-N 3.06Å; T59-D62 PolarHBondContact O-N 3.35Å; Q60-D62 VanDerWaalsContact C-N 3.32Å; D62-S65 PolarHBondContact O-N 2.92Å; D62-A66 WeakPolarHBondContact O-CB 3.33Å; D62-A66 PolarHBondContact O-N 3.48Å
63	I	69.6	Low	71	Confident	94 Å²	94	90.5 Å²	90.5	48%	0.482	49%	0.488	S	S	.	.	H	α-helix	trans	-60.5	-47.9	172.8	-70.2	165.6	0	0	0	110.8	T59 Q60 S65 A66 N67	T59-I63 HydrophobicContact CG2-CD1 4.07Å; T59-I63 VanDerWaalsContact O-CG1 3.25Å; T59-I63 WeakPolarHBondContact O-CG1 3.31Å; T59-I63 PolarHBondContact O-N 3.43Å; Q60-I63 PolarHBondContact O-N 3.17Å; I63-S65 VanDerWaalsContact C-N 3.31Å; I63-S65 PolarHBondContact O-N 3.38Å; I63-A66 PolarHBondContact O-N 3.18Å; I63-N67 WeakPolarHBondContact O-CB 3.34Å; I63-N67 VanDerWaalsContact O-CG 3.28Å; I63-N67 PolarHBondContact O-N 3.47Å; I63-N67 PolarHBondContact O-ND2 3.22Å
64	G	62.3	Low	70.7	Confident	37 Å²	37	88.1 Å²	88.1	38%	0.381	48%	0.481	S	S	.	.	H	α-helix	trans	-60.1	-41.4	177.6	0	0	0	0	0	112.2	Q60 V61 N67 L68	Q60-G64 PolarHBondContact O-N 3.26Å; V61-G64 PolarHBondContact O-N 3.38Å; G64-N67 PolarHBondContact O-N 3.01Å; G64-L68 WeakPolarHBondContact O-CB 3.38Å; G64-L68 PolarHBondContact O-N 2.78Å
65	S	75.8	Confident	69.9	Low	48 Å²	48	91 Å²	91	34%	0.336	49%	0.489	S	S	.	.	H	α-helix	trans	-69.5	-35.4	177.5	-61.7	0	0	0	0	112.8	V61 D62 I63 R69	V61-S65 VanDerWaalsContact O-CB 3.25Å; V61-S65 WeakPolarHBondContact O-CB 3.33Å; V61-S65 PolarHBondContact O-N 2.92Å; V61-S65 PolarHBondContact O-OG 3.32Å; D62-S65 PolarHBondContact O-N 2.92Å; I63-S65 VanDerWaalsContact C-N 3.31Å; I63-S65 PolarHBondContact O-N 3.38Å; S65-R69 WeakPolarHBondContact O-CB 3.28Å; S65-R69 PolarHBondContact O-N 3.46Å
66	A	74.3	Confident	69.2	Low	42 Å²	42	92.1 Å²	92.1	35%	0.347	49%	0.492	S	S	.	.	H	α-helix	trans	-67.7	-46.7	173.7	0	0	0	0	0	111	D62 I63 L68 R69 I70	D62-A66 WeakPolarHBondContact O-CB 3.33Å; D62-A66 PolarHBondContact O-N 3.48Å; I63-A66 PolarHBondContact O-N 3.18Å; A66-L68 VanDerWaalsContact C-N 3.34Å; A66-L68 PolarHBondContact O-N 3.47Å; A66-R69 WeakPolarHBondContact O-CB 3.4Å; A66-R69 PolarHBondContact O-N 3.27Å; A66-R69 VanDerWaalsContact O-N 3.16Å; A66-I70 WeakPolarHBondContact O-CG1 3.47Å; A66-I70 PolarHBondContact O-N 2.62Å
67	N	66.9	Low	68.6	Low	98 Å²	98	93.2 Å²	93.2	52%	0.524	50%	0.497	S	S	.	.	H	α-helix	trans	-61	-41.9	175.9	-72.5	-16.6	0	0	0	111.8	I63 G64 R69 I70 F71	I63-N67 WeakPolarHBondContact O-CB 3.34Å; I63-N67 VanDerWaalsContact O-CG 3.28Å; I63-N67 PolarHBondContact O-N 3.47Å; I63-N67 PolarHBondContact O-ND2 3.22Å; G64-N67 PolarHBondContact O-N 3.01Å; N67-R69 VanDerWaalsContact C-N 3.34Å; N67-I70 PolarHBondContact O-N 3.11Å; N67-F71 WeakPolarHBondContact O-CB 3.3Å; N67-F71 PolarHBondContact O-N 3.21Å
68	L	66.4	Low	67.6	Low	104 Å²	104	97.1 Å²	97.1	55%	0.545	51%	0.51	S	S	.	.	H	α-helix	trans	-65.5	-38.3	175.8	-168.9	70	0	0	0	111.6	G64 A66 F71 L72	G64-L68 WeakPolarHBondContact O-CB 3.38Å; G64-L68 PolarHBondContact O-N 2.78Å; A66-L68 VanDerWaalsContact C-N 3.34Å; A66-L68 PolarHBondContact O-N 3.47Å; L68-F71 PolarHBondContact O-N 2.89Å; L68-L72 HydrophobicContact CG-CD1 4.08Å; L68-L72 WeakPolarHBondContact O-CB 3.31Å; L68-L72 VanDerWaalsContact O-CG 3.25Å; L68-L72 WeakPolarHBondContact O-CG 3.4Å; L68-L72 PolarHBondContact O-N 2.74Å
69	R	72.9	Confident	65.7	Low	174 Å²	174	95.8 Å²	95.8	66%	0.657	51%	0.51	S	S	*	.	H	α-helix	trans	-63	-48.9	172.4	-96.6	-176.1	-90.3	-170.3	-7.2	111.6	S65 A66 N67 F71 L72 T73	S65-R69 WeakPolarHBondContact O-CB 3.28Å; S65-R69 PolarHBondContact O-N 3.46Å; A66-R69 WeakPolarHBondContact O-CB 3.4Å; A66-R69 PolarHBondContact O-N 3.27Å; A66-R69 VanDerWaalsContact O-N 3.16Å; N67-R69 VanDerWaalsContact C-N 3.34Å; R69-F71 VanDerWaalsContact C-N 3.28Å; R69-F71 PolarHBondContact O-N 3.28Å; R69-L72 PolarHBondContact O-N 3.19Å; R69-T73 WeakPolarHBondContact O-CB 3.26Å; R69-T73 PolarHBondContact O-N 2.95Å; R69-T73 PolarHBondContact O-OG1 3.42Å
70	I	68.6	Low	64.2	Low	116 Å²	116	101.5 Å²	101.5	60%	0.595	53%	0.529	S	S	*	.	H	α-helix	trans	-57	-45.5	176.4	-67.8	165.1	0	0	0	110.2	A66 N67 T73 S74	A66-I70 WeakPolarHBondContact O-CG1 3.47Å; A66-I70 PolarHBondContact O-N 2.62Å; N67-I70 PolarHBondContact O-N 3.11Å; I70-T73 PolarHBondContact O-N 3.32Å; I70-S74 WeakPolarHBondContact O-CB 3.28Å; I70-S74 PolarHBondContact O-N 2.96Å; I70-S74 PolarHBondContact O-OG 3.27Å
71	F	67.5	Low	62.9	Low	122 Å²	122	102.8 Å²	102.8	54%	0.535	54%	0.535	S	S	.	.	H	α-helix	trans	-60.1	-50.8	175.9	178.7	-98	0	0	0	111.6	N67 L68 R69 T73 S74 Y75	N67-F71 WeakPolarHBondContact O-CB 3.3Å; N67-F71 PolarHBondContact O-N 3.21Å; L68-F71 PolarHBondContact O-N 2.89Å; R69-F71 VanDerWaalsContact C-N 3.28Å; R69-F71 PolarHBondContact O-N 3.28Å; F71-T73 PolarHBondContact O-N 3.03Å; F71-S74 PolarHBondContact O-N 3.4Å; F71-S74 PolarHBondContact O-OG 2.97Å; F71-Y75 VanDerWaalsContact O-CB 3.27Å; F71-Y75 WeakPolarHBondContact O-CB 3.48Å; F71-Y75 PolarHBondContact O-N 3.18Å
72	L	67.3	Low	61.3	Low	77 Å²	77	104.9 Å²	104.9	40%	0.403	54%	0.538	S	S	.	.	H	α-helix	trans	-64.6	-36.7	179.4	-74.9	168.9	0	0	0	112.6	L68 R69 Y75 N76	L68-L72 HydrophobicContact CG-CD1 4.08Å; L68-L72 WeakPolarHBondContact O-CB 3.31Å; L68-L72 VanDerWaalsContact O-CG 3.25Å; L68-L72 WeakPolarHBondContact O-CG 3.4Å; L68-L72 PolarHBondContact O-N 2.74Å; R69-L72 PolarHBondContact O-N 3.19Å; L72-Y75 PolarHBondContact O-N 2.95Å; L72-N76 VanDerWaalsContact O-CB 3.24Å; L72-N76 WeakPolarHBondContact O-CB 3.36Å; L72-N76 VanDerWaalsContact O-CG 3.27Å; L72-N76 PolarHBondContact O-N 3.1Å; L72-N76 PolarHBondContact O-ND2 2.77Å
73	T	68.7	Low	58.8	Low	92 Å²	92	109 Å²	109	56%	0.564	56%	0.56	S	S	*	*	H	α-helix	trans	-68.2	-41.9	174.8	-54.2	0	0	0	0	110.2	R69 I70 F71 Y75 N76 A77	R69-T73 WeakPolarHBondContact O-CB 3.26Å; R69-T73 PolarHBondContact O-N 2.95Å; R69-T73 PolarHBondContact O-OG1 3.42Å; I70-T73 PolarHBondContact O-N 3.32Å; F71-T73 PolarHBondContact O-N 3.03Å; T73-Y75 VanDerWaalsContact C-N 3.29Å; T73-Y75 PolarHBondContact O-N 3.03Å; T73-N76 PolarHBondContact O-N 3.45Å; T73-A77 WeakPolarHBondContact O-CB 3.27Å; T73-A77 PolarHBondContact O-N 3.24Å
74	S	63	Low	57.1	Low	57 Å²	57	110.7 Å²	110.7	40%	0.399	58%	0.575	S	S	.	*	H	α-helix	trans	-64	-35.1	173.7	79.1	0	0	0	0	112.4	I70 F71 K78	I70-S74 WeakPolarHBondContact O-CB 3.28Å; I70-S74 PolarHBondContact O-N 2.96Å; I70-S74 PolarHBondContact O-OG 3.27Å; F71-S74 PolarHBondContact O-N 3.4Å; F71-S74 PolarHBondContact O-OG 2.97Å; S74-K78 WeakPolarHBondContact O-CB 3.41Å; S74-K78 WeakPolarHBondContact O-CG 3.15Å; S74-K78 PolarHBondContact O-N 2.83Å; S74-K78 VanDerWaalsContact O-N 3.14Å
75	Y	55.8	Low	56	Low	124 Å²	124	113.3 Å²	113.3	49%	0.486	58%	0.579	S	S	.	*	H	α-helix	trans	-72.4	-44.8	177.9	-170.5	-93.5	0	0	0	111.6	F71 L72 T73 K78 N79	F71-Y75 VanDerWaalsContact O-CB 3.27Å; F71-Y75 WeakPolarHBondContact O-CB 3.48Å; F71-Y75 PolarHBondContact O-N 3.18Å; L72-Y75 PolarHBondContact O-N 2.95Å; T73-Y75 VanDerWaalsContact C-N 3.29Å; T73-Y75 PolarHBondContact O-N 3.03Å; Y75-K78 PolarHBondContact O-N 3.38Å; Y75-N79 WeakPolarHBondContact CE1-ND2 3.35Å; Y75-N79 PolarHBondContact O-N 2.8Å; Y75-N79 VanDerWaalsContact O-N 3.08Å
76	N	60.5	Low	54.2	Low	93 Å²	93	117.4 Å²	117.4	50%	0.497	60%	0.602	S	S	.	*	H	α-helix	trans	-74.2	-34.6	179.2	-74.5	-27	0	0	0	112.8	L72 T73 N79 K80	L72-N76 VanDerWaalsContact O-CB 3.24Å; L72-N76 WeakPolarHBondContact O-CB 3.36Å; L72-N76 VanDerWaalsContact O-CG 3.27Å; L72-N76 PolarHBondContact O-N 3.1Å; L72-N76 PolarHBondContact O-ND2 2.77Å; T73-N76 PolarHBondContact O-N 3.45Å; N76-N79 PolarHBondContact O-N 3.1Å; N76-K80 PolarHBondContact O-N 3.09Å
77	A	55.1	Low	52.5	Low	61 Å²	61	121.9 Å²	121.9	50%	0.504	62%	0.62	S	S	.	*	H	α-helix	trans	-63.7	-43.6	172.3	0	0	0	0	0	110.4	T73 N79 K80	T73-A77 WeakPolarHBondContact O-CB 3.27Å; T73-A77 PolarHBondContact O-N 3.24Å; A77-N79 PolarHBondContact O-N 3.46Å; A77-K80 PolarHBondContact O-N 3.16Å
78	K	44.3	Very low	51.4	Low	168 Å²	168	125 Å²	125	73%	0.73	63%	0.625	S	S	*	*	H	α-helix	trans	-62.3	-37.8	174.9	-85.5	-178.4	170.7	-176.5	0	113.7	S74 Y75 K80	S74-K78 WeakPolarHBondContact O-CB 3.41Å; S74-K78 WeakPolarHBondContact O-CG 3.15Å; S74-K78 PolarHBondContact O-N 2.83Å; S74-K78 VanDerWaalsContact O-N 3.14Å; Y75-K78 PolarHBondContact O-N 3.38Å; K78-K80 VanDerWaalsContact C-N 3.31Å; K78-K80 PolarHBondContact O-N 2.56Å
79	N	40.4	Very low	50.5	Low	106 Å²	106	123.7 Å²	123.7	57%	0.567	62%	0.621	S	S	*	*	H	α-helix	trans	-75.6	-14.4	-178.7	-79.2	-21.3	0	0	0	114.7	Y75 N76 A77	Y75-N79 WeakPolarHBondContact CE1-ND2 3.35Å; Y75-N79 PolarHBondContact O-N 2.8Å; Y75-N79 VanDerWaalsContact O-N 3.08Å; N76-N79 PolarHBondContact O-N 3.1Å; A77-N79 PolarHBondContact O-N 3.46Å
80	K	45.6	Very low	49.7	Very low	192 Å²	192	115.9 Å²	115.9	84%	0.835	60%	0.595	S	S	*	*	H	α-helix	trans	-90.8	-21.9	-176	-92.1	-171.6	175	-176.2	0	114.9	N76 A77 K78	N76-K80 PolarHBondContact O-N 3.09Å; A77-K80 PolarHBondContact O-N 3.16Å; K78-K80 VanDerWaalsContact C-N 3.31Å; K78-K80 PolarHBondContact O-N 2.56Å
81	E	39.3	Very low	49.3	Very low	177 Å²	177	114 Å²	114	83%	0.827	59%	0.585	S	S	*	*	H	α-helix	trans	-110.6	-23.6	-170.7	-80	-177.8	164.1	0	0	116.1
82	E	39.1	Very low	49.6	Very low	134 Å²	134	111.3 Å²	111.3	63%	0.626	57%	0.574	S	S	*	*			trans	-142.3	97.8	-173.5	-71.6	-179.6	152.3	0	0	113.4	T84 I85	E82-T84 PolarHBondContact O-N 3.46Å; E82-I85 WeakPolarHBondContact OE2-CD1 3.33Å
83	N	31.5	Very low	50.2	Low	172 Å²	172	109.8 Å²	109.8	92%	0.92	58%	0.576	S	S	*	*	S	Bend	trans	-78	21.7	172.3	-122	-13.5	0	0	0	113.2
84	T	34.3	Very low	50.8	Low	131 Å²	131	108.6 Å²	108.6	80%	0.804	57%	0.565	S	S	*	*			trans	-157.8	67	-179.1	23.1	0	0	0	0	111.5	E82	E82-T84 PolarHBondContact O-N 3.46Å
85	I	38	Very low	51.8	Low	91 Å²	91	110.1 Å²	110.1	47%	0.467	58%	0.576	S	S	.	*			trans	-131.7	109.3	155.3	-61.3	-176.9	0	0	0	108.3	E82 D87 R88	E82-I85 WeakPolarHBondContact OE2-CD1 3.33Å; I85-D87 PolarHBondContact O-N 3.29Å; I85-R88 HydrophobicContact CG2-CG 4.46Å
86	V	38.7	Very low	53.4	Low	134 Å²	134	107.2 Å²	107.2	81%	0.812	56%	0.564	S	S	*	*			trans	-46.7	125.3	166.1	176.8	0	0	0	0	108.8	R88	V86-R88 PolarHBondContact O-N 3.34Å
87	D	39.5	Very low	54.8	Low	136 Å²	136	103.2 Å²	103.2	73%	0.727	54%	0.543	S	S	*	.			trans	-38.1	106	175.2	-101.6	-34.9	0	0	0	111.5	I85 V89	I85-D87 PolarHBondContact O-N 3.29Å; D87-V89 HydrophobicContact CB-CB 4.22Å; D87-V89 HydrophobicContact CB-CG2 3.81Å; D87-V89 PolarHBondContact O-N 2.93Å; D87-V89 WeakPolarHBondContact OD1-CG2 3.31Å
88	R	44	Very low	56.4	Low	165 Å²	165	103 Å²	103	62%	0.623	53%	0.532	S	S	*	.			trans	-71.3	22.8	170.9	-66.3	-179.6	169.9	173.9	-3.1	112.3	I85 V86 G90 K599	I85-R88 HydrophobicContact CG2-CG 4.46Å; V86-R88 PolarHBondContact O-N 3.34Å; R88-G90 PolarHBondContact O-N 3.21Å; R88-K599 PolarHBondContact NH2-OXT 3.07Å
89	V	47.6	Very low	58.7	Low	76 Å²	76	100 Å²	100	46%	0.461	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	112.7	-178.8	178.3	0	0	0	0	107.3	D87 D168	D87-V89 HydrophobicContact CB-CB 4.22Å; D87-V89 HydrophobicContact CB-CG2 3.81Å; D87-V89 PolarHBondContact O-N 2.93Å; D87-V89 WeakPolarHBondContact OD1-CG2 3.31Å; V89-D168 HydrophobicContact CG1-CB 4.33Å; V89-D168 WeakPolarHBondContact CG1-O 3.37Å
90	G	54.8	Low	61.2	Low	10 Å²	10	96.1 Å²	96.1	10%	0.103	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	118.2	-16	171.5	0	0	0	0	0	116.8	R88 H92 D168	R88-G90 PolarHBondContact O-N 3.21Å; G90-H92 PolarHBondContact O-N 2.93Å; G90-H92 VanDerWaalsContact O-N 3.12Å; G90-D168 WeakPolarHBondContact CA-O 3.35Å; G90-D168 PolarHBondContact N-O 3.22Å
91	I	60.6	Low	63.4	Low	75 Å²	75	88.2 Å²	88.2	39%	0.385	47%	0.466	S	S	.	.			trans	-88.7	83.5	-178.2	-56	-178.3	0	0	0	110	Y177 Y598	I91-Y177 HydrophobicContact CD1-CE2 4.35Å; I91-Y177 HydrophobicContact CG1-CE2 4.38Å; I91-Y598 HydrophobicContact CG2-CD1 4.41Å
92	H	73.2	Confident	65.9	Low	67 Å²	67	83.7 Å²	83.7	31%	0.31	44%	0.442	S	S	.	.			trans	-81.3	140.8	171.3	-67.1	-54.2	0	0	0	112.3	G90 Y96 V170 R314	G90-H92 PolarHBondContact O-N 2.93Å; G90-H92 VanDerWaalsContact O-N 3.12Å; H92-Y96 HydrophobicContact CB-CD1 3.25Å; H92-Y96 HydrophobicContact CB-CD2 4.26Å; H92-Y96 HydrophobicContact CB-CE1 3.76Å; H92-Y96 HydrophobicContact CB-CG 3.55Å; H92-Y96 AromaticContact CD2-CD1 3.75Å; H92-Y96 AromaticContact CD2-CE1 3.3Å; H92-Y96 WeakPolarHBondContact CD2-CE1 3.46Å; H92-Y96 AromaticContact CD2-CE2 3.77Å; H92-Y96 AromaticContact CD2-CZ 3.27Å; H92-Y96 AromaticContact CG-CD1 3.57Å; H92-Y96 AromaticContact CG-CD2 3.94Å; H92-Y96 AromaticContact CG-CE1 3.65Å; H92-Y96 AromaticContact CG-CE2 3.98Å; H92-Y96 AromaticContact CG-CG 3.72Å; H92-Y96 AromaticContact CG-CZ 3.82Å; H92-Y96 AromaticContact NE2-CE2 3.83Å; H92-Y96 AromaticContact NE2-CZ 3.63Å; H92-V170 WeakPolarHBondContact CD2-CG2 3.49Å; H92-V170 VanDerWaalsContact NE2-CG2 3.34Å; H92-V170 WeakPolarHBondContact NE2-CG2 3.44Å; H92-R314 PolarHBondContact O-NE 3.02Å; H92-R314 PolarHBondContact O-NH2 2.85Å
93	G	80.4	Confident	68.6	Low	44 Å²	44	79 Å²	79	45%	0.454	43%	0.426	S	S	.	.			trans	-71.8	174	179.3	0	0	0	0	0	114	S95 Y96 E97	G93-S95 VanDerWaalsContact C-N 3.33Å; G93-S95 PolarHBondContact O-N 3.05Å; G93-Y96 PolarHBondContact O-N 3.48Å; G93-E97 PolarHBondContact O-N 3.4Å
94	M	80.7	Confident	71.4	Confident	67 Å²	67	71.2 Å²	71.2	33%	0.33	38%	0.384	S	S	.	.	H	α-helix	trans	-53.6	-45.4	-178.6	-176.2	-174.1	-62.5	0	0	113.3	Y96 E97 I98 K310 T313 R314	M94-Y96 VanDerWaalsContact C-N 3.32Å; M94-Y96 PolarHBondContact O-N 2.95Å; M94-E97 PolarHBondContact O-N 3.28Å; M94-I98 HydrophobicContact CG-CD1 3.68Å; M94-I98 HydrophobicContact CG-CG1 4.27Å; M94-I98 WeakPolarHBondContact O-CG1 3.34Å; M94-I98 PolarHBondContact O-N 3.48Å; M94-I98 HydrophobicContact SD-CD1 4.17Å; M94-K310 HydrophobicContact CE-CB 3.94Å; M94-K310 HydrophobicContact CE-CG 4.4Å; M94-K310 WeakPolarHBondContact CE-O 3.4Å; M94-T313 HydrophobicContact CG-CG2 4.3Å; M94-T313 HydrophobicContact SD-CG2 4.08Å; M94-R314 HydrophobicContact CB-CB 4.16Å; M94-R314 HydrophobicContact CB-CG 4.45Å; M94-R314 HydrophobicContact CG-CB 4.29Å
95	S	85.5	Confident	74.1	Confident	90 Å²	90	67.6 Å²	67.6	63%	0.629	36%	0.358	S	S	*	.	H	α-helix	trans	-60.4	-40.9	-177.1	-49.4	0	0	0	0	112.6	G93 I98 L99	G93-S95 VanDerWaalsContact C-N 3.33Å; G93-S95 PolarHBondContact O-N 3.05Å; S95-I98 PolarHBondContact O-N 3.28Å; S95-L99 WeakPolarHBondContact O-CB 3.35Å; S95-L99 VanDerWaalsContact O-CG 3.26Å; S95-L99 WeakPolarHBondContact O-CG 3.36Å; S95-L99 PolarHBondContact O-N 2.96Å
96	Y	89.5	Confident	76.7	Confident	62 Å²	62	66.6 Å²	66.6	24%	0.243	35%	0.349	C	S	.	.	H	α-helix	trans	-60.7	-47.4	176.5	169.3	-83.5	0	0	0	110.9	H92 G93 M94 I98 L99 R100 I164	H92-Y96 HydrophobicContact CB-CD1 3.25Å; H92-Y96 HydrophobicContact CB-CD2 4.26Å; H92-Y96 HydrophobicContact CB-CE1 3.76Å; H92-Y96 HydrophobicContact CB-CG 3.55Å; H92-Y96 AromaticContact CD2-CD1 3.75Å; H92-Y96 AromaticContact CD2-CE1 3.3Å; H92-Y96 WeakPolarHBondContact CD2-CE1 3.46Å; H92-Y96 AromaticContact CD2-CE2 3.77Å; H92-Y96 AromaticContact CD2-CZ 3.27Å; H92-Y96 AromaticContact CG-CD1 3.57Å; H92-Y96 AromaticContact CG-CD2 3.94Å; H92-Y96 AromaticContact CG-CE1 3.65Å; H92-Y96 AromaticContact CG-CE2 3.98Å; H92-Y96 AromaticContact CG-CG 3.72Å; H92-Y96 AromaticContact CG-CZ 3.82Å; H92-Y96 AromaticContact NE2-CE2 3.83Å; H92-Y96 AromaticContact NE2-CZ 3.63Å; G93-Y96 PolarHBondContact O-N 3.48Å; M94-Y96 VanDerWaalsContact C-N 3.32Å; M94-Y96 PolarHBondContact O-N 2.95Å; Y96-I98 PolarHBondContact O-N 3.04Å; Y96-L99 PolarHBondContact O-N 3.02Å; Y96-R100 VanDerWaalsContact O-CB 3.32Å; Y96-R100 WeakPolarHBondContact O-CB 3.45Å; Y96-R100 PolarHBondContact O-N 3.26Å; Y96-I164 HydrophobicContact CE2-CG2 4.19Å; Y96-I164 WeakPolarHBondContact OH-CG2 3.5Å; Y96-I164 PolarHBondContact OH-O 3.43Å
97	E	89.6	Confident	79.1	Confident	9 Å²	9	60.3 Å²	60.3	4%	0.042	31%	0.311	C	S	.	.	H	α-helix	trans	-66.9	-38.1	-178	-72.3	-63.5	167.3	0	0	112.6	G93 M94 R100 R101 R174 R314	G93-E97 PolarHBondContact O-N 3.4Å; M94-E97 PolarHBondContact O-N 3.28Å; E97-R100 IonicContact OE2-CZ 3.2Å; E97-R100 IonicContact OE2-NE 3.24Å; E97-R100 PolarHBondContact OE2-NE 2.89Å; E97-R100 IonicContact OE2-NH2 3.83Å; E97-R100 PolarHBondContact OE2-NH2 2.99Å; E97-R101 WeakPolarHBondContact O-CB 3.44Å; E97-R101 WeakPolarHBondContact O-CG 3.48Å; E97-R101 PolarHBondContact O-N 3.37Å; E97-R101 IonicContact OE2-NH1 3.36Å; E97-R174 IonicContact OE1-CZ 3.44Å; E97-R174 IonicContact OE1-NE 3.04Å; E97-R174 PolarHBondContact OE1-NE 2.85Å; E97-R174 IonicContact OE1-NH2 3.77Å; E97-R174 PolarHBondContact OE1-NH2 3.03Å; E97-R174 IonicContact OE2-CZ 3.36Å; E97-R174 IonicContact OE2-NE 2.71Å; E97-R174 IonicContact OE2-NH2 3.52Å; E97-R174 PolarHBondContact OE2-NH2 3.22Å; E97-R314 VanDerWaalsContact CB-O 3.3Å; E97-R314 WeakPolarHBondContact CB-O 3.38Å; E97-R314 HydrophobicContact CG-CG 4.4Å; E97-R314 WeakPolarHBondContact CG-O 3.36Å
98	I	88.9	Confident	81.4	Confident	56 Å²	56	55.6 Å²	55.6	29%	0.287	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-49.7	173.7	-68.8	172.4	0	0	0	110.5	M94 S95 Y96 R102 T313	M94-I98 HydrophobicContact CG-CD1 3.68Å; M94-I98 HydrophobicContact CG-CG1 4.27Å; M94-I98 WeakPolarHBondContact O-CG1 3.34Å; M94-I98 PolarHBondContact O-N 3.48Å; M94-I98 HydrophobicContact SD-CD1 4.17Å; S95-I98 PolarHBondContact O-N 3.28Å; Y96-I98 PolarHBondContact O-N 3.04Å; I98-R102 WeakPolarHBondContact O-CB 3.26Å; I98-R102 PolarHBondContact O-N 2.98Å; I98-T313 HydrophobicContact CD1-CG2 4.09Å; I98-T313 HydrophobicContact CG1-CG2 4.43Å
99	L	92.1	Very high	83.6	Confident	107 Å²	107	48 Å²	48	56%	0.56	26%	0.255	S	S	*	.	H	α-helix	trans	-64.7	-42.3	-178.9	-69.7	175.6	0	0	0	111.8	S95 Y96 R102 A103	S95-L99 WeakPolarHBondContact O-CB 3.35Å; S95-L99 VanDerWaalsContact O-CG 3.26Å; S95-L99 WeakPolarHBondContact O-CG 3.36Å; S95-L99 PolarHBondContact O-N 2.96Å; Y96-L99 PolarHBondContact O-N 3.02Å; L99-R102 PolarHBondContact O-N 3.02Å; L99-A103 WeakPolarHBondContact O-CB 3.46Å; L99-A103 PolarHBondContact O-N 3.49Å
100	R	92.6	Very high	85.6	Confident	23 Å²	23	47.7 Å²	47.7	9%	0.087	25%	0.25	C	C	.	.	H	α-helix	trans	-61	-50.1	178	-174.1	-166.7	65.2	79.9	1.1	111.8	Y96 E97 R102 A103 L104 I161 I164	Y96-R100 VanDerWaalsContact O-CB 3.32Å; Y96-R100 WeakPolarHBondContact O-CB 3.45Å; Y96-R100 PolarHBondContact O-N 3.26Å; E97-R100 IonicContact OE2-CZ 3.2Å; E97-R100 IonicContact OE2-NE 3.24Å; E97-R100 PolarHBondContact OE2-NE 2.89Å; E97-R100 IonicContact OE2-NH2 3.83Å; E97-R100 PolarHBondContact OE2-NH2 2.99Å; R100-R102 VanDerWaalsContact C-N 3.32Å; R100-R102 PolarHBondContact O-N 2.94Å; R100-A103 PolarHBondContact O-N 2.97Å; R100-L104 PolarHBondContact O-N 2.77Å; R100-I161 HydrophobicContact CG-CG2 4.25Å; R100-I164 HydrophobicContact CG-CG2 4.35Å
101	R	91.5	Very high	87.2	Confident	26 Å²	26	50 Å²	50	10%	0.098	26%	0.257	C	S	.	.	H	α-helix	trans	-63.6	-38	178.6	-74.4	-173.9	-66.7	-101.6	-6.7	112.1	E97 L104 Q105 T313 R314 D507	E97-R101 WeakPolarHBondContact O-CB 3.44Å; E97-R101 WeakPolarHBondContact O-CG 3.48Å; E97-R101 PolarHBondContact O-N 3.37Å; E97-R101 IonicContact OE2-NH1 3.36Å; R101-L104 WeakPolarHBondContact O-CB 3.48Å; R101-L104 PolarHBondContact O-N 3.04Å; R101-Q105 PolarHBondContact O-N 3.06Å; R101-T313 PolarHBondContact NH2-O 3.04Å; R101-R314 PolarHBondContact NH1-O 2.66Å; R101-R314 PolarHBondContact NH2-O 3.35Å; R101-D507 IonicContact NH1-OD2 3.86Å
102	R	93	Very high	88.4	Confident	83 Å²	83	47.3 Å²	47.3	31%	0.313	24%	0.242	S	C	.	.	H	α-helix	trans	-64.6	-44	174.8	-174.4	-178.4	-64	164.7	-0.4	111.9	I98 L99 R100 L104 Q105 Y106	I98-R102 WeakPolarHBondContact O-CB 3.26Å; I98-R102 PolarHBondContact O-N 2.98Å; L99-R102 PolarHBondContact O-N 3.02Å; R100-R102 VanDerWaalsContact C-N 3.32Å; R100-R102 PolarHBondContact O-N 2.94Å; R102-L104 VanDerWaalsContact C-N 3.27Å; R102-L104 PolarHBondContact O-N 3.2Å; R102-Q105 WeakPolarHBondContact O-CB 3.39Å; R102-Q105 PolarHBondContact O-N 3.41Å; R102-Y106 WeakPolarHBondContact CD-OH 3.42Å; R102-Y106 HydrophobicContact CG-CD1 4.41Å; R102-Y106 HydrophobicContact CG-CD2 4.45Å; R102-Y106 HydrophobicContact CG-CE1 3.79Å; R102-Y106 HydrophobicContact CG-CE2 3.86Å; R102-Y106 WeakPolarHBondContact O-CD1 3.45Å; R102-Y106 PolarHBondContact O-N 2.99Å
103	A	94.1	Very high	89.1	Confident	36 Å²	36	45.9 Å²	45.9	30%	0.298	24%	0.239	S	C	.	.	H	α-helix	trans	-60.5	-40.4	174.8	0	0	0	0	0	111.2	L99 R100 Q105 Y106 A107 I161	L99-A103 WeakPolarHBondContact O-CB 3.46Å; L99-A103 PolarHBondContact O-N 3.49Å; R100-A103 PolarHBondContact O-N 2.97Å; A103-Q105 PolarHBondContact O-N 3.23Å; A103-Y106 PolarHBondContact O-N 3.48Å; A103-A107 PolarHBondContact O-N 2.62Å; A103-I161 HydrophobicContact CB-CD1 3.94Å; A103-I161 HydrophobicContact CB-CG1 4.49Å; A103-I161 HydrophobicContact CB-CG2 4.07Å
104	L	91.3	Very high	89.5	Confident	7 Å²	7	44.4 Å²	44.4	4%	0.037	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-43.4	175.8	-165.7	73.8	0	0	0	111.5	R100 R101 R102 Y106 A107 R108 H158 I161 D162 Q510	R100-L104 PolarHBondContact O-N 2.77Å; R101-L104 WeakPolarHBondContact O-CB 3.48Å; R101-L104 PolarHBondContact O-N 3.04Å; R102-L104 VanDerWaalsContact C-N 3.27Å; R102-L104 PolarHBondContact O-N 3.2Å; L104-Y106 VanDerWaalsContact C-N 3.35Å; L104-A107 PolarHBondContact O-N 2.89Å; L104-R108 PolarHBondContact O-N 2.81Å; L104-H158 WeakPolarHBondContact CD1-CE1 3.21Å; L104-H158 WeakPolarHBondContact CD1-ND1 3.09Å; L104-I161 HydrophobicContact CB-CG2 3.88Å; L104-I161 HydrophobicContact CD1-CB 4.07Å; L104-I161 HydrophobicContact CD1-CG2 3.87Å; L104-D162 HydrophobicContact CD1-CB 4.35Å; L104-Q510 HydrophobicContact CD2-CB 4.39Å; L104-Q510 HydrophobicContact CD2-CG 4.31Å
105	Q	90.3	Very high	89.7	Confident	56 Å²	56	44.5 Å²	44.5	26%	0.262	23%	0.226	S	C	.	.	H	α-helix	trans	-60.4	-45.2	174.6	-177.3	62.2	23.1	0	0	111	R101 R102 A103 A107 R108 E109	R101-Q105 PolarHBondContact O-N 3.06Å; R102-Q105 WeakPolarHBondContact O-CB 3.39Å; R102-Q105 PolarHBondContact O-N 3.41Å; A103-Q105 PolarHBondContact O-N 3.23Å; Q105-A107 PolarHBondContact O-N 2.93Å; Q105-R108 WeakPolarHBondContact O-CB 3.33Å; Q105-R108 PolarHBondContact O-N 3.37Å; Q105-R108 VanDerWaalsContact O-N 3.13Å; Q105-E109 HydrophobicContact CG-CG 4.24Å; Q105-E109 PolarHBondContact NE2-OE1 3.13Å; Q105-E109 WeakPolarHBondContact O-CG 3.39Å; Q105-E109 PolarHBondContact O-N 2.84Å
106	Y	92.1	Very high	89.6	Confident	70 Å²	70	43.7 Å²	43.7	28%	0.275	21%	0.212	S	C	.	.	H	α-helix	trans	-62	-41.9	178.6	-66	-10.3	0	0	0	112.4	R102 A103 L104 R108 E109 I110 I532 I533 F573	R102-Y106 WeakPolarHBondContact CD-OH 3.42Å; R102-Y106 HydrophobicContact CG-CD1 4.41Å; R102-Y106 HydrophobicContact CG-CD2 4.45Å; R102-Y106 HydrophobicContact CG-CE1 3.79Å; R102-Y106 HydrophobicContact CG-CE2 3.86Å; R102-Y106 WeakPolarHBondContact O-CD1 3.45Å; R102-Y106 PolarHBondContact O-N 2.99Å; A103-Y106 PolarHBondContact O-N 3.48Å; L104-Y106 VanDerWaalsContact C-N 3.35Å; Y106-R108 PolarHBondContact O-N 3.38Å; Y106-E109 PolarHBondContact O-N 2.98Å; Y106-I110 WeakPolarHBondContact O-CG1 3.26Å; Y106-I110 PolarHBondContact O-N 3.19Å; Y106-I532 WeakPolarHBondContact OH-CD1 3.28Å; Y106-I533 WeakPolarHBondContact OH-CD1 3.35Å; Y106-F573 HydrophobicContact CD1-CB 3.97Å; Y106-F573 HydrophobicContact CE1-CB 4.08Å; Y106-F573 HydrophobicContact CE1-CD2 4.29Å; Y106-F573 WeakPolarHBondContact CE1-O 3.33Å
107	A	90.4	Very high	89.5	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-57.9	-38.8	174.9	0	0	0	0	0	111.9	A103 L104 Q105 S154 L157 H158 I161	A103-A107 PolarHBondContact O-N 2.62Å; L104-A107 PolarHBondContact O-N 2.89Å; Q105-A107 PolarHBondContact O-N 2.93Å; A107-S154 PolarHBondContact O-OG 2.66Å; A107-L157 HydrophobicContact CB-CD2 4.27Å; A107-L157 HydrophobicContact CB-CG 4.26Å; A107-H158 HydrophobicContact CB-CB 4.26Å; A107-I161 HydrophobicContact CB-CD1 4.12Å
108	R	87.8	Confident	89.3	Confident	38 Å²	38	44.9 Å²	44.9	14%	0.143	22%	0.222	C	C	.	.	H	α-helix	trans	-71.5	-39.5	175	-69.1	175.3	171.7	-167.7	-5.3	113	L104 Q105 Y106 I110 K111 Y112 H158 Q510	L104-R108 PolarHBondContact O-N 2.81Å; Q105-R108 WeakPolarHBondContact O-CB 3.33Å; Q105-R108 PolarHBondContact O-N 3.37Å; Q105-R108 VanDerWaalsContact O-N 3.13Å; Y106-R108 PolarHBondContact O-N 3.38Å; R108-I110 PolarHBondContact O-N 3.11Å; R108-K111 VanDerWaalsContact O-CB 3.32Å; R108-K111 WeakPolarHBondContact O-CB 3.48Å; R108-K111 PolarHBondContact O-N 3.43Å; R108-K111 VanDerWaalsContact O-N 3.08Å; R108-Y112 HydrophobicContact CB-CE2 4.37Å; R108-Y112 WeakPolarHBondContact O-CD2 3.26Å; R108-Y112 PolarHBondContact O-N 3.46Å; R108-H158 PolarHBondContact NE-CE1 3.14Å; R108-Q510 VanDerWaalsContact CZ-O 3.29Å; R108-Q510 PolarHBondContact NH1-O 3.3Å; R108-Q510 PolarHBondContact NH2-O 3.45Å
109	E	89.4	Confident	89.1	Confident	5 Å²	5	45.1 Å²	45.1	2%	0.023	23%	0.229	C	C	.	.	H	α-helix	trans	-65.9	-26.5	177.8	-70.8	-65.1	159.6	0	0	112.7	Q105 Y106 Y112 S113 N551 F573	Q105-E109 HydrophobicContact CG-CG 4.24Å; Q105-E109 PolarHBondContact NE2-OE1 3.13Å; Q105-E109 WeakPolarHBondContact O-CG 3.39Å; Q105-E109 PolarHBondContact O-N 2.84Å; Y106-E109 PolarHBondContact O-N 2.98Å; E109-Y112 PolarHBondContact O-N 3.34Å; E109-S113 WeakPolarHBondContact O-CB 3.46Å; E109-S113 PolarHBondContact O-N 3.29Å; E109-S113 PolarHBondContact O-OG 3.49Å; E109-N551 PolarHBondContact OE1-ND2 3.47Å; E109-N551 VanDerWaalsContact OE1-ND2 3.15Å; E109-F573 HydrophobicContact CB-CB 3.96Å; E109-F573 HydrophobicContact CG-CB 3.87Å
110	I	90.9	Very high	88.7	Confident	69 Å²	69	42.9 Å²	42.9	35%	0.354	22%	0.22	S	C	.	.	H	α-helix	trans	-58.8	-49.8	168.7	-66.5	166.3	0	0	0	109.9	Y106 R108 Y112 S113 L114 L157	Y106-I110 WeakPolarHBondContact O-CG1 3.26Å; Y106-I110 PolarHBondContact O-N 3.19Å; R108-I110 PolarHBondContact O-N 3.11Å; I110-Y112 VanDerWaalsContact C-N 3.3Å; I110-Y112 PolarHBondContact O-N 3.21Å; I110-S113 PolarHBondContact O-N 3.18Å; I110-S113 VanDerWaalsContact O-N 3.13Å; I110-L114 HydrophobicContact CG2-CD1 4.01Å; I110-L114 HydrophobicContact CG2-CG 4.32Å; I110-L114 VanDerWaalsContact O-CG 3.3Å; I110-L114 WeakPolarHBondContact O-CG 2.94Å; I110-L114 PolarHBondContact O-N 3.5Å; I110-L157 HydrophobicContact CD1-CD2 4.48Å
111	K	86.7	Confident	88.2	Confident	59 Å²	59	42 Å²	42	26%	0.257	22%	0.217	S	C	.	.	H	α-helix	trans	-53	-47.2	176.9	175.8	-169.2	164.8	-168.7	0	111.3	R108 L114 E379 S382	R108-K111 VanDerWaalsContact O-CB 3.32Å; R108-K111 WeakPolarHBondContact O-CB 3.48Å; R108-K111 PolarHBondContact O-N 3.43Å; R108-K111 VanDerWaalsContact O-N 3.08Å; K111-L114 PolarHBondContact O-N 3.39Å; K111-E379 IonicContact NZ-OE2 3.1Å; K111-E379 PolarHBondContact NZ-OE2 3.08Å; K111-S382 WeakPolarHBondContact CE-OG 3.3Å; K111-S382 PolarHBondContact NZ-OG 2.95Å
112	Y	86.3	Confident	87.9	Confident	18 Å²	18	45.6 Å²	45.6	7%	0.071	24%	0.235	C	C	.	.	H	α-helix	trans	-68.7	-35.5	-179.4	-57.9	-46.3	0	0	0	113	R108 E109 I110 L114 V115 R513 W553 N554	R108-Y112 HydrophobicContact CB-CE2 4.37Å; R108-Y112 WeakPolarHBondContact O-CD2 3.26Å; R108-Y112 PolarHBondContact O-N 3.46Å; E109-Y112 PolarHBondContact O-N 3.34Å; I110-Y112 VanDerWaalsContact C-N 3.3Å; I110-Y112 PolarHBondContact O-N 3.21Å; Y112-L114 VanDerWaalsContact C-N 3.31Å; Y112-L114 PolarHBondContact O-N 3.39Å; Y112-V115 WeakPolarHBondContact O-CB 3.46Å; Y112-V115 PolarHBondContact O-N 2.85Å; Y112-R513 PolarHBondContact OH-NH1 2.92Å; Y112-W553 HydrophobicContact CD2-CE3 4.33Å; Y112-W553 AromaticContact CE2-CE3 3.96Å; Y112-W553 HydrophobicContact CE2-CE3 3.96Å; Y112-W553 HydrophobicContact CE2-CZ3 4.12Å; Y112-N554 CarbonylContact O-C 3.57Å; Y112-N554 VanDerWaalsContact O-C 3.25Å
113	S	88.1	Confident	87.5	Confident	37 Å²	37	48.2 Å²	48.2	26%	0.259	25%	0.248	S	C	.	.	H	α-helix	trans	-68.7	-31.4	177.5	-57.4	0	0	0	0	112	E109 I110 V115 Q116	E109-S113 WeakPolarHBondContact O-CB 3.46Å; E109-S113 PolarHBondContact O-N 3.29Å; E109-S113 PolarHBondContact O-OG 3.49Å; I110-S113 PolarHBondContact O-N 3.18Å; I110-S113 VanDerWaalsContact O-N 3.13Å; S113-V115 PolarHBondContact O-N 3.01Å; S113-Q116 VanDerWaalsContact O-CB 3.26Å; S113-Q116 WeakPolarHBondContact O-CB 3.46Å; S113-Q116 VanDerWaalsContact O-CG 3.26Å; S113-Q116 WeakPolarHBondContact O-CG 3.26Å; S113-Q116 PolarHBondContact O-N 3.03Å
114	L	88.9	Confident	87.1	Confident	14 Å²	14	47.6 Å²	47.6	7%	0.073	24%	0.24	C	C	.	.	H	α-helix	trans	-66.2	-19.5	179	-69.9	171.6	0	0	0	113.7	I110 K111 Y112 Q116 L117 L150 Q151	I110-L114 HydrophobicContact CG2-CD1 4.01Å; I110-L114 HydrophobicContact CG2-CG 4.32Å; I110-L114 VanDerWaalsContact O-CG 3.3Å; I110-L114 WeakPolarHBondContact O-CG 2.94Å; I110-L114 PolarHBondContact O-N 3.5Å; K111-L114 PolarHBondContact O-N 3.39Å; Y112-L114 VanDerWaalsContact C-N 3.31Å; Y112-L114 PolarHBondContact O-N 3.39Å; L114-Q116 PolarHBondContact O-N 2.8Å; L114-L117 HydrophobicContact CD2-CD1 4.01Å; L114-L117 WeakPolarHBondContact O-CB 3.3Å; L114-L117 PolarHBondContact O-N 3.3Å; L114-L117 VanDerWaalsContact O-N 3.11Å; L114-L150 HydrophobicContact CD1-CB 3.72Å; L114-L150 HydrophobicContact CD2-CB 3.67Å; L114-L150 HydrophobicContact CD2-CD1 3.63Å; L114-L150 HydrophobicContact CD2-CG 4.31Å; L114-L150 HydrophobicContact CG-CB 4.36Å; L114-Q151 HydrophobicContact CD1-CB 4.41Å; L114-Q151 HydrophobicContact CD1-CG 3.65Å
115	V	84.7	Confident	86.7	Confident	69 Å²	69	53.2 Å²	53.2	42%	0.418	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.6	172.1	-179.1	0	0	0	0	111.3	Y112 S113 L117 D118	Y112-V115 WeakPolarHBondContact O-CB 3.46Å; Y112-V115 PolarHBondContact O-N 2.85Å; S113-V115 PolarHBondContact O-N 3.01Å; V115-L117 PolarHBondContact O-N 3.46Å; V115-D118 VanDerWaalsContact O-CB 3.31Å; V115-D118 WeakPolarHBondContact O-CB 3.43Å; V115-D118 PolarHBondContact O-N 3.33Å
116	Q	84.1	Confident	86.4	Confident	72 Å²	72	55.4 Å²	55.4	34%	0.336	28%	0.281	S	S	.	.	H	α-helix	trans	-64.4	-23.8	176.7	-61.5	174.8	22.7	0	0	112.9	S113 L114 D118 S119 N554	S113-Q116 VanDerWaalsContact O-CB 3.26Å; S113-Q116 WeakPolarHBondContact O-CB 3.46Å; S113-Q116 VanDerWaalsContact O-CG 3.26Å; S113-Q116 WeakPolarHBondContact O-CG 3.26Å; S113-Q116 PolarHBondContact O-N 3.03Å; L114-Q116 PolarHBondContact O-N 2.8Å; Q116-D118 PolarHBondContact O-N 2.81Å; Q116-S119 WeakPolarHBondContact O-CB 3.35Å; Q116-S119 PolarHBondContact O-N 2.89Å; Q116-N554 PolarHBondContact NE2-O 2.89Å
117	L	87.1	Confident	86.1	Confident	42 Å²	42	55.8 Å²	55.8	22%	0.22	29%	0.287	C	S	.	.	H	α-helix	trans	-67.4	-24.6	174.3	-62.6	179.8	0	0	0	112	L114 V115 S119 V120 N121 V143 K147	L114-L117 HydrophobicContact CD2-CD1 4.01Å; L114-L117 WeakPolarHBondContact O-CB 3.3Å; L114-L117 PolarHBondContact O-N 3.3Å; L114-L117 VanDerWaalsContact O-N 3.11Å; V115-L117 PolarHBondContact O-N 3.46Å; L117-S119 VanDerWaalsContact C-N 3.31Å; L117-S119 PolarHBondContact O-N 3.43Å; L117-V120 WeakPolarHBondContact O-CB 3.29Å; L117-V120 PolarHBondContact O-N 2.87Å; L117-N121 PolarHBondContact O-N 3.29Å; L117-N121 VanDerWaalsContact O-N 3.12Å; L117-V143 HydrophobicContact CB-CG1 4.21Å; L117-K147 HydrophobicContact CB-CD 4.44Å; L117-K147 HydrophobicContact CD1-CB 3.74Å; L117-K147 HydrophobicContact CD1-CG 4.06Å
118	D	85.6	Confident	85.7	Confident	54 Å²	54	65.5 Å²	65.5	29%	0.289	33%	0.329	S	S	.	.	H	α-helix	trans	-67	-35.8	174.4	-63.4	-39.6	0	0	0	111.4	V115 Q116 V120 N121 E122 K147	V115-D118 VanDerWaalsContact O-CB 3.31Å; V115-D118 WeakPolarHBondContact O-CB 3.43Å; V115-D118 PolarHBondContact O-N 3.33Å; Q116-D118 PolarHBondContact O-N 2.81Å; D118-V120 VanDerWaalsContact C-N 3.27Å; D118-V120 PolarHBondContact O-N 3.45Å; D118-N121 WeakPolarHBondContact O-CB 3.24Å; D118-N121 PolarHBondContact O-N 3.22Å; D118-N121 VanDerWaalsContact O-N 3.16Å; D118-E122 PolarHBondContact O-N 3Å; D118-K147 IonicContact OD1-NZ 3.4Å; D118-K147 PolarHBondContact OD1-NZ 2.9Å; D118-K147 IonicContact OD2-NZ 3.48Å; D118-K147 PolarHBondContact OD2-NZ 3.47Å
119	S	83.4	Confident	85.5	Confident	61 Å²	61	67.1 Å²	67.1	43%	0.427	34%	0.341	S	S	.	.	H	α-helix	trans	-63.2	-35	173.5	-174.8	0	0	0	0	112.2	Q116 L117 E122 K123	Q116-S119 WeakPolarHBondContact O-CB 3.35Å; Q116-S119 PolarHBondContact O-N 2.89Å; L117-S119 VanDerWaalsContact C-N 3.31Å; L117-S119 PolarHBondContact O-N 3.43Å; S119-E122 PolarHBondContact O-N 3.18Å; S119-K123 VanDerWaalsContact O-CG 3.31Å; S119-K123 WeakPolarHBondContact O-CG 3.48Å; S119-K123 PolarHBondContact O-N 2.87Å
120	V	83.7	Confident	85.1	Confident	61 Å²	61	76.8 Å²	76.8	37%	0.37	38%	0.378	S	S	.	.	H	α-helix	trans	-64.3	-45	174.2	-179.9	0	0	0	0	109.9	L117 D118 E122 K123 I124	L117-V120 WeakPolarHBondContact O-CB 3.29Å; L117-V120 PolarHBondContact O-N 2.87Å; D118-V120 VanDerWaalsContact C-N 3.27Å; D118-V120 PolarHBondContact O-N 3.45Å; V120-E122 PolarHBondContact O-N 3.38Å; V120-K123 PolarHBondContact O-N 3.1Å; V120-I124 HydrophobicContact CG1-CD1 4.06Å; V120-I124 WeakPolarHBondContact O-CG1 3.31Å; V120-I124 PolarHBondContact O-N 3.05Å
121	N	83.3	Confident	84.9	Confident	4 Å²	4	77.9 Å²	77.9	2%	0.021	39%	0.392	C	S	.	.	H	α-helix	trans	-63.2	-39.4	177.7	-75.2	-31.7	0	0	0	113.1	L117 D118 I124 K125 E144	L117-N121 PolarHBondContact O-N 3.29Å; L117-N121 VanDerWaalsContact O-N 3.12Å; D118-N121 WeakPolarHBondContact O-CB 3.24Å; D118-N121 PolarHBondContact O-N 3.22Å; D118-N121 VanDerWaalsContact O-N 3.16Å; N121-I124 PolarHBondContact O-N 3.12Å; N121-K125 WeakPolarHBondContact O-CG 3.26Å; N121-K125 PolarHBondContact O-N 3.16Å; N121-E144 PolarHBondContact ND2-OE1 3.15Å
122	E	85.8	Confident	84.9	Confident	101 Å²	101	78.3 Å²	78.3	47%	0.472	40%	0.397	S	S	.	.	H	α-helix	trans	-64.7	-43.1	174.1	-70.2	-48.7	122.3	0	0	111.9	D118 S119 V120 I124 K125 T126	D118-E122 PolarHBondContact O-N 3Å; S119-E122 PolarHBondContact O-N 3.18Å; V120-E122 PolarHBondContact O-N 3.38Å; E122-I124 VanDerWaalsContact C-N 3.32Å; E122-I124 PolarHBondContact O-N 3.44Å; E122-K125 WeakPolarHBondContact O-CB 3.43Å; E122-K125 PolarHBondContact O-N 3.04Å; E122-K125 VanDerWaalsContact O-N 3.15Å; E122-K125 WeakPolarHBondContact OE1-CE 3.49Å; E122-K125 IonicContact OE1-NZ 3.81Å; E122-K125 PolarHBondContact OE1-NZ 3.26Å; E122-K125 IonicContact OE2-NZ 3.84Å; E122-T126 PolarHBondContact O-N 2.75Å
123	K	84.6	Confident	84.8	Confident	139 Å²	139	80.9 Å²	80.9	60%	0.604	41%	0.411	S	S	*	.	H	α-helix	trans	-60.5	-41.5	175.4	-72.8	171.6	-176.4	175.7	0	111.7	S119 V120 K125 T126	S119-K123 VanDerWaalsContact O-CG 3.31Å; S119-K123 WeakPolarHBondContact O-CG 3.48Å; S119-K123 PolarHBondContact O-N 2.87Å; V120-K123 PolarHBondContact O-N 3.1Å; K123-K125 VanDerWaalsContact C-N 3.3Å; K123-K125 PolarHBondContact O-N 3.09Å; K123-T126 PolarHBondContact O-N 3.38Å; K123-T126 VanDerWaalsContact O-N 3.13Å; K123-T126 PolarHBondContact O-OG1 3.38Å
124	I	84.3	Confident	84.7	Confident	23 Å²	23	87.8 Å²	87.8	12%	0.118	43%	0.432	C	S	.	.	H	α-helix	trans	-58.6	-41.1	176.1	-71.3	166.8	0	0	0	111.4	V120 N121 E122 T126 I127 L136 V139	V120-I124 HydrophobicContact CG1-CD1 4.06Å; V120-I124 WeakPolarHBondContact O-CG1 3.31Å; V120-I124 PolarHBondContact O-N 3.05Å; N121-I124 PolarHBondContact O-N 3.12Å; E122-I124 VanDerWaalsContact C-N 3.32Å; E122-I124 PolarHBondContact O-N 3.44Å; I124-T126 PolarHBondContact O-N 2.85Å; I124-I127 PolarHBondContact O-N 2.79Å; I124-L136 HydrophobicContact CG2-CB 4.05Å; I124-L136 HydrophobicContact CG2-CD2 4.22Å; I124-V139 HydrophobicContact CD1-CG1 3.97Å
125	K	83.3	Confident	84.7	Confident	124 Å²	124	90 Å²	90	54%	0.539	45%	0.447	S	S	.	.	H	α-helix	trans	-62.2	-26.4	178.5	-70.3	171.8	-177.7	173.3	0	113.4	N121 E122 K123 I127	N121-K125 WeakPolarHBondContact O-CG 3.26Å; N121-K125 PolarHBondContact O-N 3.16Å; E122-K125 WeakPolarHBondContact O-CB 3.43Å; E122-K125 PolarHBondContact O-N 3.04Å; E122-K125 VanDerWaalsContact O-N 3.15Å; E122-K125 WeakPolarHBondContact OE1-CE 3.49Å; E122-K125 IonicContact OE1-NZ 3.81Å; E122-K125 PolarHBondContact OE1-NZ 3.26Å; E122-K125 IonicContact OE2-NZ 3.84Å; K123-K125 VanDerWaalsContact C-N 3.3Å; K123-K125 PolarHBondContact O-N 3.09Å; K125-I127 VanDerWaalsContact C-N 3.29Å; K125-I127 PolarHBondContact O-N 2.9Å
126	T	85	Confident	84.9	Confident	102 Å²	102	88.2 Å²	88.2	63%	0.626	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-14.2	-179.6	68.9	0	0	0	0	113.9	E122 K123 I124 K128	E122-T126 PolarHBondContact O-N 2.75Å; K123-T126 PolarHBondContact O-N 3.38Å; K123-T126 VanDerWaalsContact O-N 3.13Å; K123-T126 PolarHBondContact O-OG1 3.38Å; I124-T126 PolarHBondContact O-N 2.85Å; T126-K128 PolarHBondContact O-N 2.87Å
127	I	85.5	Confident	85.1	Confident	78 Å²	78	91.6 Å²	91.6	40%	0.4	45%	0.448	S	S	.	.			trans	-78.6	106.3	-175.9	-56.7	171.6	0	0	0	110.1	I124 K125 N129 L132 L136	I124-I127 PolarHBondContact O-N 2.79Å; K125-I127 VanDerWaalsContact C-N 3.29Å; K125-I127 PolarHBondContact O-N 2.9Å; I127-N129 HydrophobicContact CG2-CB 4.38Å; I127-N129 PolarHBondContact O-N 3.02Å; I127-L132 HydrophobicContact CG2-CD1 4.28Å; I127-L136 HydrophobicContact CB-CD1 3.78Å; I127-L136 HydrophobicContact CD1-CD1 4.1Å; I127-L136 HydrophobicContact CD1-CD2 3.95Å; I127-L136 HydrophobicContact CG2-CD1 3.67Å
128	K	80.7	Confident	85.2	Confident	205 Å²	205	94.5 Å²	94.5	89%	0.891	46%	0.461	S	S	*	.			trans	-96.5	60.1	179.5	-62.1	-177.1	-177.2	179.3	0	112.3	T126	T126-K128 PolarHBondContact O-N 2.87Å
129	N	84.9	Confident	85.4	Confident	72 Å²	72	95.3 Å²	95.3	39%	0.385	47%	0.468	S	S	.	.			trans	-121.1	114.3	173.6	-174.5	-12.6	0	0	0	110.6	I127 S131 L132 I133	I127-N129 HydrophobicContact CG2-CB 4.38Å; I127-N129 PolarHBondContact O-N 3.02Å; N129-S131 VanDerWaalsContact C-N 3.28Å; N129-S131 PolarHBondContact O-N 2.98Å; N129-S131 PolarHBondContact OD1-N 2.94Å; N129-S131 VanDerWaalsContact OD1-N 3.13Å; N129-S131 PolarHBondContact OD1-OG 3.34Å; N129-L132 HydrophobicContact CB-CB 4.22Å; N129-L132 HydrophobicContact CB-CD1 3.97Å; N129-L132 HydrophobicContact CB-CG 4.1Å; N129-L132 PolarHBondContact O-N 2.87Å; N129-I133 PolarHBondContact O-N 3.45Å
130	Y	80	Confident	85.7	Confident	208 Å²	208	96.2 Å²	96.2	82%	0.816	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-58	-36.6	-176.9	-78.3	-84.5	0	0	0	113.5	L132 I133	Y130-L132 PolarHBondContact O-N 2.86Å; Y130-I133 HydrophobicContact CD1-CD1 3.53Å; Y130-I133 HydrophobicContact CE1-CD1 4.17Å; Y130-I133 HydrophobicContact CG-CD1 4.15Å; Y130-I133 PolarHBondContact O-N 3.08Å
131	S	87.2	Confident	86.1	Confident	92 Å²	92	97.8 Å²	97.8	64%	0.643	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-69	-22.9	178.8	69	0	0	0	0	112.9	N129	N129-S131 VanDerWaalsContact C-N 3.28Å; N129-S131 PolarHBondContact O-N 2.98Å; N129-S131 PolarHBondContact OD1-N 2.94Å; N129-S131 VanDerWaalsContact OD1-N 3.13Å; N129-S131 PolarHBondContact OD1-OG 3.34Å
132	L	86.6	Confident	86.4	Confident	68 Å²	68	101 Å²	101	36%	0.356	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-93.2	-6.8	-179.5	-62.5	-179.6	0	0	0	113.2	I127 N129 Y130 R134 P135 L136	I127-L132 HydrophobicContact CG2-CD1 4.28Å; N129-L132 HydrophobicContact CB-CB 4.22Å; N129-L132 HydrophobicContact CB-CD1 3.97Å; N129-L132 HydrophobicContact CB-CG 4.1Å; N129-L132 PolarHBondContact O-N 2.87Å; Y130-L132 PolarHBondContact O-N 2.86Å; L132-R134 VanDerWaalsContact C-N 3.32Å; L132-R134 PolarHBondContact O-N 3.45Å; L132-P135 WeakPolarHBondContact O-CD 3.22Å; L132-L136 HydrophobicContact CB-CD1 3.73Å; L132-L136 HydrophobicContact CB-CG 4.03Å; L132-L136 VanDerWaalsContact O-CB 3.26Å; L132-L136 WeakPolarHBondContact O-CB 3.36Å; L132-L136 WeakPolarHBondContact O-CG 3.21Å; L132-L136 PolarHBondContact O-N 2.96Å
133	I	84.1	Confident	86.6	Confident	72 Å²	72	97.4 Å²	97.4	37%	0.369	48%	0.481	S	S	.	.	H	α-helix	trans	-54.6	-46.9	-174.4	-71.2	173.9	0	0	0	111.8	N129 Y130 K137	N129-I133 PolarHBondContact O-N 3.45Å; Y130-I133 HydrophobicContact CD1-CD1 3.53Å; Y130-I133 HydrophobicContact CE1-CD1 4.17Å; Y130-I133 HydrophobicContact CG-CD1 4.15Å; Y130-I133 PolarHBondContact O-N 3.08Å; I133-K137 HydrophobicContact CG2-CD 4.26Å; I133-K137 WeakPolarHBondContact O-CB 3.31Å; I133-K137 VanDerWaalsContact O-CG 3.29Å; I133-K137 WeakPolarHBondContact O-CG 3.49Å; I133-K137 PolarHBondContact O-N 3.45Å; I133-K137 VanDerWaalsContact O-N 3.09Å
134	R	86	Confident	86.9	Confident	183 Å²	183	94.4 Å²	94.4	69%	0.691	47%	0.469	S	S	*	.	H	α-helix	trans	-69.2	-53.9	-179.3	174.2	179.7	-179.5	172.7	3.8	111.9	L132 L136 K137 E138	L132-R134 VanDerWaalsContact C-N 3.32Å; L132-R134 PolarHBondContact O-N 3.45Å; R134-L136 VanDerWaalsContact C-N 3.28Å; R134-L136 PolarHBondContact O-N 3.16Å; R134-K137 WeakPolarHBondContact O-CB 3.43Å; R134-K137 PolarHBondContact O-N 3.5Å; R134-K137 VanDerWaalsContact O-N 3.12Å; R134-E138 WeakPolarHBondContact CG-OE1 3.28Å; R134-E138 IonicContact CZ-OE1 3.23Å; R134-E138 IonicContact NE-OE1 3.85Å; R134-E138 PolarHBondContact NE-OE1 2.86Å; R134-E138 IonicContact NH2-OE1 2.73Å; R134-E138 PolarHBondContact O-N 3.43Å
135	P	89.9	Confident	87.3	Confident	61 Å²	61	98.8 Å²	98.8	40%	0.396	49%	0.489	S	S	.	.	H	α-helix	trans	-52.9	-42.3	174.6	-28.6	33.6	0	0	0	113.8	L132 K137 E138 V139	L132-P135 WeakPolarHBondContact O-CD 3.22Å; P135-K137 PolarHBondContact O-N 3.39Å; P135-E138 PolarHBondContact O-N 2.84Å; P135-V139 WeakPolarHBondContact O-CG2 3.06Å; P135-V139 PolarHBondContact O-N 3.43Å
136	L	88.7	Confident	87.6	Confident	31 Å²	31	97 Å²	97	16%	0.162	49%	0.485	C	S	.	.	H	α-helix	trans	-68.7	-34	179.9	-69.9	173.3	0	0	0	112.9	I124 I127 L132 R134 K140	I124-L136 HydrophobicContact CG2-CB 4.05Å; I124-L136 HydrophobicContact CG2-CD2 4.22Å; I127-L136 HydrophobicContact CB-CD1 3.78Å; I127-L136 HydrophobicContact CD1-CD1 4.1Å; I127-L136 HydrophobicContact CD1-CD2 3.95Å; I127-L136 HydrophobicContact CG2-CD1 3.67Å; L132-L136 HydrophobicContact CB-CD1 3.73Å; L132-L136 HydrophobicContact CB-CG 4.03Å; L132-L136 VanDerWaalsContact O-CB 3.26Å; L132-L136 WeakPolarHBondContact O-CB 3.36Å; L132-L136 WeakPolarHBondContact O-CG 3.21Å; L132-L136 PolarHBondContact O-N 2.96Å; R134-L136 VanDerWaalsContact C-N 3.28Å; R134-L136 PolarHBondContact O-N 3.16Å; L136-K140 WeakPolarHBondContact O-CB 3.46Å; L136-K140 PolarHBondContact O-N 3.21Å
137	K	87.4	Confident	87.9	Confident	143 Å²	143	93.2 Å²	93.2	62%	0.622	46%	0.46	S	S	*	.	H	α-helix	trans	-64.3	-43.2	171.2	-78.4	177.2	179.2	-175.9	0	111.4	I133 R134 P135 K140 V141	I133-K137 HydrophobicContact CG2-CD 4.26Å; I133-K137 WeakPolarHBondContact O-CB 3.31Å; I133-K137 VanDerWaalsContact O-CG 3.29Å; I133-K137 WeakPolarHBondContact O-CG 3.49Å; I133-K137 PolarHBondContact O-N 3.45Å; I133-K137 VanDerWaalsContact O-N 3.09Å; R134-K137 WeakPolarHBondContact O-CB 3.43Å; R134-K137 PolarHBondContact O-N 3.5Å; R134-K137 VanDerWaalsContact O-N 3.12Å; P135-K137 PolarHBondContact O-N 3.39Å; K137-K140 PolarHBondContact O-N 3.12Å; K137-V141 WeakPolarHBondContact O-CG2 3.25Å; K137-V141 PolarHBondContact O-N 2.91Å
138	E	90.2	Very high	88.3	Confident	103 Å²	103	92.3 Å²	92.3	48%	0.481	46%	0.46	S	S	.	.	H	α-helix	trans	-63.3	-46.4	177.4	-69.1	170.3	-170.1	0	0	110.9	R134 P135 K140 V141 S142	R134-E138 WeakPolarHBondContact CG-OE1 3.28Å; R134-E138 IonicContact CZ-OE1 3.23Å; R134-E138 IonicContact NE-OE1 3.85Å; R134-E138 PolarHBondContact NE-OE1 2.86Å; R134-E138 IonicContact NH2-OE1 2.73Å; R134-E138 PolarHBondContact O-N 3.43Å; P135-E138 PolarHBondContact O-N 2.84Å; E138-K140 PolarHBondContact O-N 2.91Å; E138-V141 PolarHBondContact O-N 3.25Å; E138-S142 PolarHBondContact O-N 3.2Å; E138-S142 PolarHBondContact O-OG 3.35Å
139	V	89.5	Confident	88.9	Confident	71 Å²	71	87.3 Å²	87.3	43%	0.43	44%	0.44	S	S	.	.	H	α-helix	trans	-58.2	-45.9	174.3	171.3	0	0	0	0	111.5	I124 P135 V141 S142 V143	I124-V139 HydrophobicContact CD1-CG1 3.97Å; P135-V139 WeakPolarHBondContact O-CG2 3.06Å; P135-V139 PolarHBondContact O-N 3.43Å; V139-V141 VanDerWaalsContact C-N 3.33Å; V139-V141 PolarHBondContact O-N 3.4Å; V139-S142 PolarHBondContact O-N 3.3Å; V139-V143 HydrophobicContact CG1-CG2 4.27Å; V139-V143 WeakPolarHBondContact O-CG2 3.35Å; V139-V143 PolarHBondContact O-N 2.67Å
140	K	88.7	Confident	89.3	Confident	80 Å²	80	86.9 Å²	86.9	35%	0.348	44%	0.437	S	S	.	.	H	α-helix	trans	-58	-45.9	178.1	-177.4	-177	177.2	-169.8	0	111.5	L136 K137 E138 S142 V143 E144	L136-K140 WeakPolarHBondContact O-CB 3.46Å; L136-K140 PolarHBondContact O-N 3.21Å; K137-K140 PolarHBondContact O-N 3.12Å; E138-K140 PolarHBondContact O-N 2.91Å; K140-S142 VanDerWaalsContact C-N 3.34Å; K140-S142 PolarHBondContact O-N 3.36Å; K140-V143 PolarHBondContact O-N 3.42Å; K140-E144 WeakPolarHBondContact O-CG 3.34Å; K140-E144 PolarHBondContact O-N 3Å
141	V	91.9	Very high	89.8	Confident	93 Å²	93	80.8 Å²	80.8	56%	0.564	42%	0.416	S	S	*	.	H	α-helix	trans	-60.7	-44.5	177.3	171.3	0	0	0	0	110.8	K137 E138 V139 V143 E144 Q145	K137-V141 WeakPolarHBondContact O-CG2 3.25Å; K137-V141 PolarHBondContact O-N 2.91Å; E138-V141 PolarHBondContact O-N 3.25Å; V139-V141 VanDerWaalsContact C-N 3.33Å; V139-V141 PolarHBondContact O-N 3.4Å; V141-V143 PolarHBondContact O-N 3.48Å; V141-E144 PolarHBondContact O-N 3.27Å; V141-Q145 WeakPolarHBondContact O-CB 3.44Å; V141-Q145 PolarHBondContact O-N 2.9Å
142	S	90.9	Very high	90.1	Very high	73 Å²	73	80.3 Å²	80.3	51%	0.51	41%	0.407	S	S	.	.	H	α-helix	trans	-62.7	-39.7	177.1	-59.8	0	0	0	0	113	E138 V139 K140 Q145 L146	E138-S142 PolarHBondContact O-N 3.2Å; E138-S142 PolarHBondContact O-OG 3.35Å; V139-S142 PolarHBondContact O-N 3.3Å; K140-S142 VanDerWaalsContact C-N 3.34Å; K140-S142 PolarHBondContact O-N 3.36Å; S142-Q145 PolarHBondContact O-N 3.1Å; S142-L146 WeakPolarHBondContact O-CB 3.43Å; S142-L146 PolarHBondContact O-N 3.16Å
143	V	89.1	Confident	90.4	Very high	25 Å²	25	82.2 Å²	82.2	15%	0.152	42%	0.416	C	S	.	.	H	α-helix	trans	-65.3	-45.3	177.2	170.8	0	0	0	0	111.1	L117 V139 K140 V141 L146 K147	L117-V143 HydrophobicContact CB-CG1 4.21Å; V139-V143 HydrophobicContact CG1-CG2 4.27Å; V139-V143 WeakPolarHBondContact O-CG2 3.35Å; V139-V143 PolarHBondContact O-N 2.67Å; K140-V143 PolarHBondContact O-N 3.42Å; V141-V143 PolarHBondContact O-N 3.48Å; V143-L146 PolarHBondContact O-N 2.6Å; V143-K147 WeakPolarHBondContact O-CB 3.45Å; V143-K147 PolarHBondContact O-N 2.95Å
144	E	91.3	Very high	90.8	Very high	76 Å²	76	79.1 Å²	79.1	36%	0.355	40%	0.401	S	S	.	.	H	α-helix	trans	-64.4	-40.9	177.1	-69	-67.1	178.3	0	0	112.1	N121 K140 V141 K147 S148	N121-E144 PolarHBondContact ND2-OE1 3.15Å; K140-E144 WeakPolarHBondContact O-CG 3.34Å; K140-E144 PolarHBondContact O-N 3Å; V141-E144 PolarHBondContact O-N 3.27Å; E144-K147 PolarHBondContact O-N 3.31Å; E144-S148 WeakPolarHBondContact O-CB 3.48Å; E144-S148 PolarHBondContact O-N 2.64Å
145	Q	92.9	Very high	91.2	Very high	114 Å²	114	72.1 Å²	72.1	53%	0.533	38%	0.377	S	S	.	.	H	α-helix	trans	-62.6	-44.9	176.2	-176.4	177.7	-5.5	0	0	111.5	V141 S142 S148 Q149	V141-Q145 WeakPolarHBondContact O-CB 3.44Å; V141-Q145 PolarHBondContact O-N 2.9Å; S142-Q145 PolarHBondContact O-N 3.1Å; Q145-S148 PolarHBondContact O-N 3.2Å; Q145-Q149 WeakPolarHBondContact O-CG 3.47Å; Q145-Q149 PolarHBondContact O-N 2.67Å
146	L	90.2	Very high	91.4	Very high	87 Å²	87	72.2 Å²	72.2	46%	0.455	37%	0.372	S	S	.	.	H	α-helix	trans	-63.2	-43.8	176.2	178.5	62.1	0	0	0	111.4	S142 V143 S148 Q149 L150	S142-L146 WeakPolarHBondContact O-CB 3.43Å; S142-L146 PolarHBondContact O-N 3.16Å; V143-L146 PolarHBondContact O-N 2.6Å; L146-S148 PolarHBondContact O-N 3.41Å; L146-Q149 PolarHBondContact O-N 2.97Å; L146-L150 HydrophobicContact CD1-CD1 3.9Å; L146-L150 HydrophobicContact CD1-CG 4.05Å; L146-L150 HydrophobicContact CG-CD1 3.88Å; L146-L150 HydrophobicContact CG-CG 4.4Å; L146-L150 WeakPolarHBondContact O-CB 3.42Å; L146-L150 VanDerWaalsContact O-CG 3.3Å; L146-L150 WeakPolarHBondContact O-CG 3.5Å; L146-L150 PolarHBondContact O-N 3.32Å
147	K	91.1	Very high	91.7	Very high	23 Å²	23	74.2 Å²	74.2	10%	0.1	38%	0.383	C	S	.	.	H	α-helix	trans	-56.5	-50.5	176.1	-174.7	-173.2	-178	-170	0	110.6	L117 D118 V143 E144 Q149 L150 Q151	L117-K147 HydrophobicContact CB-CD 4.44Å; L117-K147 HydrophobicContact CD1-CB 3.74Å; L117-K147 HydrophobicContact CD1-CG 4.06Å; D118-K147 IonicContact OD1-NZ 3.4Å; D118-K147 PolarHBondContact OD1-NZ 2.9Å; D118-K147 IonicContact OD2-NZ 3.48Å; D118-K147 PolarHBondContact OD2-NZ 3.47Å; V143-K147 WeakPolarHBondContact O-CB 3.45Å; V143-K147 PolarHBondContact O-N 2.95Å; E144-K147 PolarHBondContact O-N 3.31Å; K147-Q149 PolarHBondContact O-N 3.17Å; K147-L150 PolarHBondContact O-N 3.46Å; K147-Q151 HydrophobicContact CG-CG 4.48Å; K147-Q151 WeakPolarHBondContact O-CB 3.06Å; K147-Q151 VanDerWaalsContact O-CG 3.28Å; K147-Q151 WeakPolarHBondContact O-CG 3.46Å; K147-Q151 PolarHBondContact O-N 3.12Å
148	S	93.2	Very high	92	Very high	58 Å²	58	68.4 Å²	68.4	41%	0.406	36%	0.357	S	S	.	.	H	α-helix	trans	-58	-47.6	178.3	-173.3	0	0	0	0	111.7	E144 Q145 L146 L150 Q151 D152	E144-S148 WeakPolarHBondContact O-CB 3.48Å; E144-S148 PolarHBondContact O-N 2.64Å; Q145-S148 PolarHBondContact O-N 3.2Å; L146-S148 PolarHBondContact O-N 3.41Å; S148-L150 VanDerWaalsContact C-N 3.35Å; S148-L150 PolarHBondContact O-N 3.43Å; S148-Q151 PolarHBondContact O-N 3.07Å; S148-D152 PolarHBondContact O-N 3.38Å
149	Q	93.7	Very high	92.2	Very high	100 Å²	100	63.5 Å²	63.5	47%	0.467	34%	0.335	S	S	.	.	H	α-helix	trans	-61.7	-41.9	178.7	-74.2	-179.7	-22.4	0	0	112.4	Q145 L146 K147 D152 I153	Q145-Q149 WeakPolarHBondContact O-CG 3.47Å; Q145-Q149 PolarHBondContact O-N 2.67Å; L146-Q149 PolarHBondContact O-N 2.97Å; K147-Q149 PolarHBondContact O-N 3.17Å; Q149-D152 PolarHBondContact O-N 3.31Å; Q149-I153 VanDerWaalsContact O-CG1 3.26Å; Q149-I153 WeakPolarHBondContact O-CG1 3.41Å; Q149-I153 PolarHBondContact O-N 3.21Å
150	L	92.1	Very high	92.5	Very high	63 Å²	63	63.7 Å²	63.7	33%	0.33	33%	0.333	S	S	.	.	H	α-helix	trans	-70.4	-34.2	178.6	-67.8	172.7	0	0	0	112.2	L114 L146 K147 S148 S154	L114-L150 HydrophobicContact CD1-CB 3.72Å; L114-L150 HydrophobicContact CD2-CB 3.67Å; L114-L150 HydrophobicContact CD2-CD1 3.63Å; L114-L150 HydrophobicContact CD2-CG 4.31Å; L114-L150 HydrophobicContact CG-CB 4.36Å; L146-L150 HydrophobicContact CD1-CD1 3.9Å; L146-L150 HydrophobicContact CD1-CG 4.05Å; L146-L150 HydrophobicContact CG-CD1 3.88Å; L146-L150 HydrophobicContact CG-CG 4.4Å; L146-L150 WeakPolarHBondContact O-CB 3.42Å; L146-L150 VanDerWaalsContact O-CG 3.3Å; L146-L150 WeakPolarHBondContact O-CG 3.5Å; L146-L150 PolarHBondContact O-N 3.32Å; K147-L150 PolarHBondContact O-N 3.46Å; S148-L150 VanDerWaalsContact C-N 3.35Å; S148-L150 PolarHBondContact O-N 3.43Å; L150-S154 WeakPolarHBondContact O-CB 3.48Å; L150-S154 PolarHBondContact O-N 2.77Å
151	Q	91.7	Very high	92.7	Very high	80 Å²	80	60.7 Å²	60.7	37%	0.374	32%	0.321	S	S	.	.	H	α-helix	trans	-62.8	-45.6	172.2	-74.9	175.2	-40.8	0	0	110.8	L114 K147 S148 S154 L155	L114-Q151 HydrophobicContact CD1-CB 4.41Å; L114-Q151 HydrophobicContact CD1-CG 3.65Å; K147-Q151 HydrophobicContact CG-CG 4.48Å; K147-Q151 WeakPolarHBondContact O-CB 3.06Å; K147-Q151 VanDerWaalsContact O-CG 3.28Å; K147-Q151 WeakPolarHBondContact O-CG 3.46Å; K147-Q151 PolarHBondContact O-N 3.12Å; S148-Q151 PolarHBondContact O-N 3.07Å; Q151-S154 PolarHBondContact O-N 2.88Å; Q151-L155 WeakPolarHBondContact O-CB 3.03Å; Q151-L155 PolarHBondContact O-N 2.89Å
152	D	93	Very high	92.8	Very high	82 Å²	82	57.8 Å²	57.8	44%	0.439	30%	0.302	S	S	.	.	H	α-helix	trans	-62.6	-45.9	176.9	-71.9	-22.1	0	0	0	111.6	S148 Q149 S154 L155 H156	S148-D152 PolarHBondContact O-N 3.38Å; Q149-D152 PolarHBondContact O-N 3.31Å; D152-S154 PolarHBondContact O-N 2.9Å; D152-L155 PolarHBondContact O-N 2.75Å; D152-H156 PolarHBondContact O-N 2.81Å; D152-H156 PolarHBondContact O-ND1 3.36Å
153	I	92.9	Very high	92.9	Very high	108 Å²	108	54.5 Å²	54.5	55%	0.554	28%	0.28	S	S	*	.	H	α-helix	trans	-60.8	-45.6	176.7	-68.8	165.5	0	0	0	110.7	Q149 L155 H156 L157	Q149-I153 VanDerWaalsContact O-CG1 3.26Å; Q149-I153 WeakPolarHBondContact O-CG1 3.41Å; Q149-I153 PolarHBondContact O-N 3.21Å; I153-L155 VanDerWaalsContact C-N 3.34Å; I153-L155 PolarHBondContact O-N 3.4Å; I153-H156 PolarHBondContact O-N 3.36Å; I153-L157 WeakPolarHBondContact O-CB 3.41Å; I153-L157 PolarHBondContact O-N 3.07Å
154	S	92.9	Very high	93	Very high	7 Å²	7	57.3 Å²	57.3	5%	0.049	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-42.7	177.8	170.2	0	0	0	0	111.8	A107 L150 Q151 D152 H158	A107-S154 PolarHBondContact O-OG 2.66Å; L150-S154 WeakPolarHBondContact O-CB 3.48Å; L150-S154 PolarHBondContact O-N 2.77Å; Q151-S154 PolarHBondContact O-N 2.88Å; D152-S154 PolarHBondContact O-N 2.9Å; S154-H158 WeakPolarHBondContact O-CB 3.34Å; S154-H158 PolarHBondContact O-N 3.13Å
155	L	93.9	Very high	92.9	Very high	36 Å²	36	53.8 Å²	53.8	19%	0.188	28%	0.277	C	S	.	.	H	α-helix	trans	-61.7	-49	178	-177.3	62.8	0	0	0	112	Q151 D152 I153 H158 V159 F386 A389	Q151-L155 WeakPolarHBondContact O-CB 3.03Å; Q151-L155 PolarHBondContact O-N 2.89Å; D152-L155 PolarHBondContact O-N 2.75Å; I153-L155 VanDerWaalsContact C-N 3.34Å; I153-L155 PolarHBondContact O-N 3.4Å; L155-H158 WeakPolarHBondContact O-CB 3.26Å; L155-H158 PolarHBondContact O-N 2.84Å; L155-V159 WeakPolarHBondContact O-CG2 3.48Å; L155-V159 PolarHBondContact O-N 3.34Å; L155-V159 VanDerWaalsContact O-N 3.09Å; L155-F386 HydrophobicContact CD1-CB 3.94Å; L155-F386 HydrophobicContact CD1-CD2 4.48Å; L155-A389 HydrophobicContact CD2-CB 3.9Å; L155-A389 HydrophobicContact CG-CB 4.05Å
156	H	94.9	Very high	92.8	Very high	63 Å²	63	49.1 Å²	49.1	29%	0.292	26%	0.255	S	S	.	.	H	α-helix	trans	-73.8	-33.5	-178	-66.1	79.5	0	0	0	111.9	D152 I153 H158 V159 D160 M393	D152-H156 PolarHBondContact O-N 2.81Å; D152-H156 PolarHBondContact O-ND1 3.36Å; I153-H156 PolarHBondContact O-N 3.36Å; H156-H158 VanDerWaalsContact C-N 3.3Å; H156-H158 PolarHBondContact O-N 3.02Å; H156-V159 WeakPolarHBondContact O-CB 3.41Å; H156-V159 PolarHBondContact O-N 2.76Å; H156-D160 PolarHBondContact O-N 3.31Å; H156-M393 HydrophobicContact CB-SD 4.01Å; H156-M393 PolarHBondContact CD2-SD 3.43Å
157	L	94.7	Very high	92.8	Very high	74 Å²	74	46 Å²	46	39%	0.387	24%	0.239	S	C	.	.	H	α-helix	trans	-61.3	-40.5	169.4	-179.7	62.7	0	0	0	111.3	A107 I110 I153 V159 D160 I161	A107-L157 HydrophobicContact CB-CD2 4.27Å; A107-L157 HydrophobicContact CB-CG 4.26Å; I110-L157 HydrophobicContact CD1-CD2 4.48Å; I153-L157 WeakPolarHBondContact O-CB 3.41Å; I153-L157 PolarHBondContact O-N 3.07Å; L157-V159 VanDerWaalsContact C-N 3.32Å; L157-V159 PolarHBondContact O-N 2.9Å; L157-D160 PolarHBondContact O-N 3.08Å; L157-I161 HydrophobicContact CD1-CD1 3.8Å; L157-I161 HydrophobicContact CD1-CG1 4.16Å; L157-I161 HydrophobicContact CD2-CD1 4.44Å; L157-I161 HydrophobicContact CG-CD1 3.75Å; L157-I161 HydrophobicContact CG-CG1 4.47Å; L157-I161 VanDerWaalsContact O-CG1 3.29Å; L157-I161 WeakPolarHBondContact O-CG1 3.14Å; L157-I161 PolarHBondContact O-N 3.34Å
158	H	94	Very high	92.6	Very high	20 Å²	20	48.5 Å²	48.5	9%	0.093	25%	0.253	C	S	.	.	H	α-helix	trans	-60.9	-42.1	175	-175.3	55.6	0	0	0	111.5	L104 A107 R108 S154 L155 H156 D162 F386	L104-H158 WeakPolarHBondContact CD1-CE1 3.21Å; L104-H158 WeakPolarHBondContact CD1-ND1 3.09Å; A107-H158 HydrophobicContact CB-CB 4.26Å; R108-H158 PolarHBondContact NE-CE1 3.14Å; S154-H158 WeakPolarHBondContact O-CB 3.34Å; S154-H158 PolarHBondContact O-N 3.13Å; L155-H158 WeakPolarHBondContact O-CB 3.26Å; L155-H158 PolarHBondContact O-N 2.84Å; H156-H158 VanDerWaalsContact C-N 3.3Å; H156-H158 PolarHBondContact O-N 3.02Å; H158-D162 WeakPolarHBondContact O-CB 3.4Å; H158-D162 PolarHBondContact O-N 3.21Å; H158-F386 AromaticContact CD2-CD2 3.29Å; H158-F386 WeakPolarHBondContact CD2-CD2 3.36Å; H158-F386 AromaticContact CD2-CE2 3.25Å; H158-F386 WeakPolarHBondContact CD2-CE2 3.41Å; H158-F386 AromaticContact CD2-CG 3.96Å; H158-F386 AromaticContact CD2-CZ 3.94Å; H158-F386 AromaticContact NE2-CE2 3.74Å; H158-F386 AromaticContact NE2-CZ 3.93Å
159	V	94.2	Very high	92.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60	-48.6	174.9	172.7	0	0	0	0	112.1	L155 H156 L157 D162 G163 F386 A389 K390 M393 W400	L155-V159 WeakPolarHBondContact O-CG2 3.48Å; L155-V159 PolarHBondContact O-N 3.34Å; L155-V159 VanDerWaalsContact O-N 3.09Å; H156-V159 WeakPolarHBondContact O-CB 3.41Å; H156-V159 PolarHBondContact O-N 2.76Å; L157-V159 VanDerWaalsContact C-N 3.32Å; L157-V159 PolarHBondContact O-N 2.9Å; V159-D162 PolarHBondContact O-N 3.13Å; V159-G163 PolarHBondContact O-N 2.85Å; V159-F386 HydrophobicContact CB-CE2 4.36Å; V159-F386 HydrophobicContact CG2-CD2 3.67Å; V159-F386 HydrophobicContact CG2-CE2 3.66Å; V159-A389 HydrophobicContact CG2-CB 4.2Å; V159-K390 HydrophobicContact CG1-CB 4.15Å; V159-K390 HydrophobicContact CG1-CG 4.22Å; V159-K390 HydrophobicContact CG2-CB 4.03Å; V159-M393 HydrophobicContact CB-SD 3.71Å; V159-M393 HydrophobicContact CG1-CB 4.11Å; V159-M393 HydrophobicContact CG1-CE 4.31Å; V159-M393 HydrophobicContact CG1-CG 4.31Å; V159-M393 HydrophobicContact CG1-SD 3.46Å; V159-M393 WeakPolarHBondContact CG1-SD 3.29Å; V159-M393 HydrophobicContact CG2-SD 4.3Å; V159-W400 HydrophobicContact CG1-CH2 3.87Å; V159-W400 HydrophobicContact CG1-CZ2 3.93Å
160	D	94.8	Very high	92	Very high	76 Å²	76	41.7 Å²	41.7	41%	0.406	22%	0.218	S	C	.	.	H	α-helix	trans	-66.5	-41	-178.5	-80.5	-22	0	0	0	112.1	H156 L157 G163 I164 M393	H156-D160 PolarHBondContact O-N 3.31Å; L157-D160 PolarHBondContact O-N 3.08Å; D160-G163 CarbonylContact O-C 3.58Å; D160-G163 WeakPolarHBondContact O-CA 3.25Å; D160-G163 PolarHBondContact O-N 2.96Å; D160-G163 VanDerWaalsContact O-N 3.15Å; D160-I164 WeakPolarHBondContact O-CG1 3.42Å; D160-I164 PolarHBondContact O-N 3.21Å; D160-M393 VanDerWaalsContact CG-CE 3.49Å; D160-M393 WeakPolarHBondContact OD1-CE 3.2Å
161	I	93.9	Very high	91.9	Very high	16 Å²	16	39 Å²	39	8%	0.082	20%	0.204	C	C	.	.	H	α-helix	trans	-68.5	-37.2	178.4	-62.5	165.9	0	0	0	111.5	R100 A103 L104 A107 L157 G163	R100-I161 HydrophobicContact CG-CG2 4.25Å; A103-I161 HydrophobicContact CB-CD1 3.94Å; A103-I161 HydrophobicContact CB-CG1 4.49Å; A103-I161 HydrophobicContact CB-CG2 4.07Å; L104-I161 HydrophobicContact CB-CG2 3.88Å; L104-I161 HydrophobicContact CD1-CB 4.07Å; L104-I161 HydrophobicContact CD1-CG2 3.87Å; A107-I161 HydrophobicContact CB-CD1 4.12Å; L157-I161 HydrophobicContact CD1-CD1 3.8Å; L157-I161 HydrophobicContact CD1-CG1 4.16Å; L157-I161 HydrophobicContact CD2-CD1 4.44Å; L157-I161 HydrophobicContact CG-CD1 3.75Å; L157-I161 HydrophobicContact CG-CG1 4.47Å; L157-I161 VanDerWaalsContact O-CG1 3.29Å; L157-I161 WeakPolarHBondContact O-CG1 3.14Å; L157-I161 PolarHBondContact O-N 3.34Å; I161-G163 VanDerWaalsContact C-N 3.33Å
162	D	93.1	Very high	91.8	Very high	33 Å²	33	39.6 Å²	39.6	18%	0.176	21%	0.207	C	C	.	.	H	α-helix	trans	-59.5	-47.3	168.7	176	71.5	0	0	0	110.3	L104 H158 V159 I164 G165 R166 F386	L104-D162 HydrophobicContact CD1-CB 4.35Å; H158-D162 WeakPolarHBondContact O-CB 3.4Å; H158-D162 PolarHBondContact O-N 3.21Å; V159-D162 PolarHBondContact O-N 3.13Å; D162-I164 PolarHBondContact O-N 2.92Å; D162-G165 PolarHBondContact O-N 3.13Å; D162-R166 WeakPolarHBondContact O-CG 3.47Å; D162-R166 IonicContact OD2-CZ 3.76Å; D162-R166 IonicContact OD2-NE 3.56Å; D162-R166 PolarHBondContact OD2-NE 3.19Å; D162-R166 IonicContact OD2-NH2 3.62Å; D162-R166 PolarHBondContact OD2-NH2 3.47Å; D162-F386 HydrophobicContact CB-CZ 4.16Å
163	G	92.7	Very high	91.6	Very high	4 Å²	4	36.6 Å²	36.6	4%	0.041	19%	0.192	C	C	.	.	H	α-helix	trans	-61.2	-40.2	179.3	0	0	0	0	0	114.7	V159 D160 I161 G165 R166 V167	V159-G163 PolarHBondContact O-N 2.85Å; D160-G163 CarbonylContact O-C 3.58Å; D160-G163 WeakPolarHBondContact O-CA 3.25Å; D160-G163 PolarHBondContact O-N 2.96Å; D160-G163 VanDerWaalsContact O-N 3.15Å; I161-G163 VanDerWaalsContact C-N 3.33Å; G163-G165 PolarHBondContact O-N 3.05Å; G163-R166 WeakPolarHBondContact O-CA 3.38Å; G163-R166 PolarHBondContact O-N 3.44Å; G163-V167 WeakPolarHBondContact O-CG1 2.98Å; G163-V167 PolarHBondContact O-N 3.33Å
164	I	91.6	Very high	91.5	Very high	84 Å²	84	32 Å²	32	43%	0.431	17%	0.168	S	C	.	.	H	α-helix	trans	-53	-38.5	172.8	-75	168.8	0	0	0	110.5	Y96 R100 D160 D162 R166	Y96-I164 HydrophobicContact CE2-CG2 4.19Å; Y96-I164 WeakPolarHBondContact OH-CG2 3.5Å; Y96-I164 PolarHBondContact OH-O 3.43Å; R100-I164 HydrophobicContact CG-CG2 4.35Å; D160-I164 WeakPolarHBondContact O-CG1 3.42Å; D160-I164 PolarHBondContact O-N 3.21Å; D162-I164 PolarHBondContact O-N 2.92Å; I164-R166 PolarHBondContact O-N 3.3Å
165	G	90.6	Very high	91.4	Very high	1 Å²	1	32 Å²	32	1%	0.01	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-2	176.7	0	0	0	0	0	115.4	D162 G163 R174	D162-G165 PolarHBondContact O-N 3.13Å; G163-G165 PolarHBondContact O-N 3.05Å; G165-R174 PolarHBondContact O-NH1 3.41Å; G165-R174 PolarHBondContact O-NH2 3.36Å; G165-R174 VanDerWaalsContact O-NH2 3.08Å
166	R	90.5	Very high	91.3	Very high	17 Å²	17	34.6 Å²	34.6	6%	0.064	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-37.5	-172.7	-62.7	-165.2	-69.1	123.2	4.3	116.2	D162 G163 I164 L171 D403	D162-R166 WeakPolarHBondContact O-CG 3.47Å; D162-R166 IonicContact OD2-CZ 3.76Å; D162-R166 IonicContact OD2-NE 3.56Å; D162-R166 PolarHBondContact OD2-NE 3.19Å; D162-R166 IonicContact OD2-NH2 3.62Å; D162-R166 PolarHBondContact OD2-NH2 3.47Å; G163-R166 WeakPolarHBondContact O-CA 3.38Å; G163-R166 PolarHBondContact O-N 3.44Å; I164-R166 PolarHBondContact O-N 3.3Å; R166-L171 HydrophobicContact CB-CB 4.22Å; R166-L171 HydrophobicContact CB-CD2 4.33Å; R166-L171 HydrophobicContact CG-CB 4.32Å; R166-L171 HydrophobicContact CG-CD2 4.01Å; R166-D403 IonicContact CZ-OD2 3.08Å; R166-D403 IonicContact NH1-OD1 3.87Å; R166-D403 PolarHBondContact NH1-OD1 2.92Å; R166-D403 IonicContact NH1-OD2 3.17Å; R166-D403 PolarHBondContact NH1-OD2 2.81Å; R166-D403 IonicContact NH2-OD2 2.8Å
167	V	90.2	Very high	91.1	Very high	20 Å²	20	33.8 Å²	33.8	12%	0.121	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	170.9	-177.7	-59.9	0	0	0	0	112.2	G163 G169 V170 W400 R401	G163-V167 WeakPolarHBondContact O-CG1 2.98Å; G163-V167 PolarHBondContact O-N 3.33Å; V167-G169 PolarHBondContact O-N 2.79Å; V167-G169 VanDerWaalsContact O-N 3.13Å; V167-V170 WeakPolarHBondContact O-CB 3.12Å; V167-V170 VanDerWaalsContact O-CG2 3.23Å; V167-V170 WeakPolarHBondContact O-CG2 3.46Å; V167-V170 PolarHBondContact O-N 3.48Å; V167-V170 VanDerWaalsContact O-N 3.09Å; V167-W400 HydrophobicContact CG1-CB 4.47Å; V167-W400 HydrophobicContact CG1-CD2 4.45Å; V167-W400 HydrophobicContact CG1-CE3 3.96Å; V167-R401 CarbonylContact C-O 3.58Å; V167-R401 WeakPolarHBondContact CA-O 3.34Å
168	D	87.3	Confident	91.1	Very high	77 Å²	77	30.3 Å²	30.3	41%	0.412	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	37.2	173.7	-59.9	-34.8	0	0	0	113.6	V89 G90 V170 R401	V89-D168 HydrophobicContact CG1-CB 4.33Å; V89-D168 WeakPolarHBondContact CG1-O 3.37Å; G90-D168 WeakPolarHBondContact CA-O 3.35Å; G90-D168 PolarHBondContact N-O 3.22Å; D168-V170 PolarHBondContact O-N 2.98Å; D168-R401 PolarHBondContact N-O 3.17Å
169	G	85.6	Confident	91.1	Very high	11 Å²	11	31.2 Å²	31.2	11%	0.113	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	1.4	176.5	0	0	0	0	0	114.9	V167 L171 E172 S173	V167-G169 PolarHBondContact O-N 2.79Å; V167-G169 VanDerWaalsContact O-N 3.13Å; G169-L171 PolarHBondContact O-N 3.46Å; G169-E172 PolarHBondContact O-N 3.38Å; G169-S173 WeakPolarHBondContact O-CB 3.39Å; G169-S173 PolarHBondContact O-N 2.85Å
170	V	87.8	Confident	91.1	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.018	18%	0.18	C	C	.	.	H	α-helix	trans	-63.5	-42.5	-175.6	178	0	0	0	0	111.8	H92 V167 D168 R174	H92-V170 WeakPolarHBondContact CD2-CG2 3.49Å; H92-V170 VanDerWaalsContact NE2-CG2 3.34Å; H92-V170 WeakPolarHBondContact NE2-CG2 3.44Å; V167-V170 WeakPolarHBondContact O-CB 3.12Å; V167-V170 VanDerWaalsContact O-CG2 3.23Å; V167-V170 WeakPolarHBondContact O-CG2 3.46Å; V167-V170 PolarHBondContact O-N 3.48Å; V167-V170 VanDerWaalsContact O-N 3.09Å; D168-V170 PolarHBondContact O-N 2.98Å; V170-R174 WeakPolarHBondContact O-CB 3.32Å; V170-R174 PolarHBondContact O-N 2.85Å
171	L	90.2	Very high	91.1	Very high	7 Å²	7	32.2 Å²	32.2	4%	0.037	16%	0.161	C	C	.	.	H	α-helix	trans	-63.9	-47.3	178	178.2	60.6	0	0	0	111.9	R166 G169 S173 R174 I175 I404 K405	R166-L171 HydrophobicContact CB-CB 4.22Å; R166-L171 HydrophobicContact CB-CD2 4.33Å; R166-L171 HydrophobicContact CG-CB 4.32Å; R166-L171 HydrophobicContact CG-CD2 4.01Å; G169-L171 PolarHBondContact O-N 3.46Å; L171-S173 VanDerWaalsContact C-N 3.33Å; L171-S173 PolarHBondContact O-N 3.03Å; L171-R174 PolarHBondContact O-N 2.81Å; L171-I175 HydrophobicContact CD1-CD1 3.94Å; L171-I175 HydrophobicContact CD1-CG1 4.1Å; L171-I175 HydrophobicContact CG-CD1 3.89Å; L171-I175 HydrophobicContact CG-CG1 4.4Å; L171-I175 WeakPolarHBondContact O-CG1 3.44Å; L171-I175 PolarHBondContact O-N 3.32Å; L171-I404 HydrophobicContact CD2-CG1 4.03Å; L171-I404 HydrophobicContact CG-CD1 4.42Å; L171-I404 HydrophobicContact CG-CG1 4.28Å; L171-K405 HydrophobicContact CD2-CB 4.15Å; L171-K405 HydrophobicContact CD2-CD 3.78Å; L171-K405 HydrophobicContact CD2-CG 3.65Å
172	E	88.8	Confident	91.3	Very high	92 Å²	92	31.4 Å²	31.4	43%	0.43	16%	0.157	S	C	.	.	H	α-helix	trans	-60.3	-46.1	-179.4	-175.7	170.2	-158.9	0	0	110.7	G169 R174 I175 N176 I404	G169-E172 PolarHBondContact O-N 3.38Å; E172-R174 PolarHBondContact O-N 3.44Å; E172-I175 PolarHBondContact O-N 2.7Å; E172-N176 WeakPolarHBondContact O-CB 3.45Å; E172-N176 PolarHBondContact O-N 3.01Å; E172-N176 PolarHBondContact O-ND2 3.05Å; E172-I404 HydrophobicContact CB-CD1 3.79Å; E172-I404 HydrophobicContact CB-CG1 4.32Å; E172-I404 HydrophobicContact CB-CG2 4.08Å; E172-I404 HydrophobicContact CG-CD1 4.19Å; E172-I404 HydrophobicContact CG-CG2 4.43Å
173	S	88.5	Confident	91.5	Very high	19 Å²	19	33.7 Å²	33.7	13%	0.133	17%	0.169	C	C	.	.	H	α-helix	trans	-56.1	-49.7	174	-174.2	0	0	0	0	111.7	G169 L171 I175 N176 Y177	G169-S173 WeakPolarHBondContact O-CB 3.39Å; G169-S173 PolarHBondContact O-N 2.85Å; L171-S173 VanDerWaalsContact C-N 3.33Å; L171-S173 PolarHBondContact O-N 3.03Å; S173-I175 PolarHBondContact O-N 2.95Å; S173-N176 PolarHBondContact O-N 2.8Å; S173-Y177 WeakPolarHBondContact O-CD2 3.27Å; S173-Y177 PolarHBondContact O-N 3.45Å; S173-Y177 WeakPolarHBondContact OG-CE2 3.26Å
174	R	90.9	Very high	91.7	Very high	13 Å²	13	37.7 Å²	37.7	5%	0.049	19%	0.187	C	C	.	.	H	α-helix	trans	-60.4	-44.3	179.2	-168.6	-175.2	-55.7	106.9	1.3	112.2	E97 G165 V170 L171 E172 Y177 L178 L315	E97-R174 IonicContact OE1-CZ 3.44Å; E97-R174 IonicContact OE1-NE 3.04Å; E97-R174 PolarHBondContact OE1-NE 2.85Å; E97-R174 IonicContact OE1-NH2 3.77Å; E97-R174 PolarHBondContact OE1-NH2 3.03Å; E97-R174 IonicContact OE2-CZ 3.36Å; E97-R174 IonicContact OE2-NE 2.71Å; E97-R174 IonicContact OE2-NH2 3.52Å; E97-R174 PolarHBondContact OE2-NH2 3.22Å; G165-R174 PolarHBondContact O-NH1 3.41Å; G165-R174 PolarHBondContact O-NH2 3.36Å; G165-R174 VanDerWaalsContact O-NH2 3.08Å; V170-R174 WeakPolarHBondContact O-CB 3.32Å; V170-R174 PolarHBondContact O-N 2.85Å; L171-R174 PolarHBondContact O-N 2.81Å; E172-R174 PolarHBondContact O-N 3.44Å; R174-Y177 PolarHBondContact O-N 2.83Å; R174-L178 HydrophobicContact CG-CD1 4.08Å; R174-L178 WeakPolarHBondContact O-CB 3.31Å; R174-L178 WeakPolarHBondContact O-CG 3.36Å; R174-L178 PolarHBondContact O-N 3.16Å; R174-L315 HydrophobicContact CG-CD2 4.5Å
175	I	92.3	Very high	91.9	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.036	17%	0.167	C	C	.	.	H	α-helix	trans	-59.9	-49.8	177.6	-73.7	178.1	0	0	0	110.3	L171 E172 S173 Y177 L178 E179 I404 H502 L503	L171-I175 HydrophobicContact CD1-CD1 3.94Å; L171-I175 HydrophobicContact CD1-CG1 4.1Å; L171-I175 HydrophobicContact CG-CD1 3.89Å; L171-I175 HydrophobicContact CG-CG1 4.4Å; L171-I175 WeakPolarHBondContact O-CG1 3.44Å; L171-I175 PolarHBondContact O-N 3.32Å; E172-I175 PolarHBondContact O-N 2.7Å; S173-I175 PolarHBondContact O-N 2.95Å; I175-Y177 VanDerWaalsContact C-N 3.32Å; I175-Y177 PolarHBondContact O-N 2.6Å; I175-L178 PolarHBondContact O-N 3.43Å; I175-E179 WeakPolarHBondContact O-CB 3.4Å; I175-E179 PolarHBondContact O-N 3.09Å; I175-I404 HydrophobicContact CD1-CD1 4.16Å; I175-H502 WeakPolarHBondContact CG1-O 3.47Å; I175-L503 HydrophobicContact CG2-CD2 3.93Å
176	N	90.4	Very high	92.3	Very high	89 Å²	89	35.2 Å²	35.2	48%	0.476	17%	0.173	S	C	.	.	H	α-helix	trans	-61.5	-40.8	-178.6	-68.9	-18.7	0	0	0	111.8	E172 S173 Y180	E172-N176 WeakPolarHBondContact O-CB 3.45Å; E172-N176 PolarHBondContact O-N 3.01Å; E172-N176 PolarHBondContact O-ND2 3.05Å; S173-N176 PolarHBondContact O-N 2.8Å; N176-Y180 VanDerWaalsContact O-CB 3.32Å; N176-Y180 WeakPolarHBondContact O-CB 3.31Å; N176-Y180 PolarHBondContact O-N 3.44Å
177	Y	90.7	Very high	92.7	Very high	47 Å²	47	37.1 Å²	37.1	18%	0.184	19%	0.189	C	C	.	.	H	α-helix	trans	-69.4	-40.7	177	-79.9	-62.2	0	0	0	113.4	I91 S173 R174 I175 E179 L181 L315 F596	I91-Y177 HydrophobicContact CD1-CE2 4.35Å; I91-Y177 HydrophobicContact CG1-CE2 4.38Å; S173-Y177 WeakPolarHBondContact O-CD2 3.27Å; S173-Y177 PolarHBondContact O-N 3.45Å; S173-Y177 WeakPolarHBondContact OG-CE2 3.26Å; R174-Y177 PolarHBondContact O-N 2.83Å; I175-Y177 VanDerWaalsContact C-N 3.32Å; I175-Y177 PolarHBondContact O-N 2.6Å; Y177-E179 VanDerWaalsContact C-N 3.34Å; Y177-L181 WeakPolarHBondContact O-CB 3.26Å; Y177-L181 PolarHBondContact O-N 2.97Å; Y177-L315 HydrophobicContact CG-CD2 4.39Å; Y177-F596 HydrophobicContact CD1-CD2 4.28Å; Y177-F596 HydrophobicContact CD1-CE1 4.25Å; Y177-F596 AromaticContact CD1-CE2 3.59Å; Y177-F596 HydrophobicContact CD1-CE2 3.59Å; Y177-F596 AromaticContact CD1-CZ 3.6Å; Y177-F596 HydrophobicContact CD1-CZ 3.6Å; Y177-F596 HydrophobicContact CE1-CD1 4.27Å; Y177-F596 HydrophobicContact CE1-CD2 4.17Å; Y177-F596 HydrophobicContact CE1-CE1 4Å; Y177-F596 AromaticContact CE1-CE2 3.86Å; Y177-F596 HydrophobicContact CE1-CE2 3.86Å; Y177-F596 HydrophobicContact CE1-CG 4.37Å; Y177-F596 AromaticContact CE1-CZ 3.79Å; Y177-F596 HydrophobicContact CE1-CZ 3.79Å
178	L	94.6	Very high	93	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.7	-41.4	175.1	-76.6	170.8	0	0	0	111.4	R174 I175 L181 S182 L315 H316 H502	R174-L178 HydrophobicContact CG-CD1 4.08Å; R174-L178 WeakPolarHBondContact O-CB 3.31Å; R174-L178 WeakPolarHBondContact O-CG 3.36Å; R174-L178 PolarHBondContact O-N 3.16Å; I175-L178 PolarHBondContact O-N 3.43Å; L178-L181 PolarHBondContact O-N 2.86Å; L178-S182 WeakPolarHBondContact O-CB 3.32Å; L178-S182 PolarHBondContact O-N 2.86Å; L178-L315 HydrophobicContact CD2-CB 3.67Å; L178-L315 HydrophobicContact CD2-CD1 4.44Å; L178-L315 HydrophobicContact CG-CB 4.13Å; L178-H316 HydrophobicContact CD2-CB 4.3Å; L178-H502 HydrophobicContact CB-CB 3.95Å
179	E	95.2	Very high	93.6	Very high	39 Å²	39	32.7 Å²	32.7	18%	0.182	17%	0.165	C	C	.	.	H	α-helix	trans	-67.6	-44	178.6	-172.3	58.7	-159.7	0	0	111.9	I175 Y177 L181 S182 N183 H502 L503	I175-E179 WeakPolarHBondContact O-CB 3.4Å; I175-E179 PolarHBondContact O-N 3.09Å; Y177-E179 VanDerWaalsContact C-N 3.34Å; E179-L181 VanDerWaalsContact C-N 3.35Å; E179-L181 PolarHBondContact O-N 3.18Å; E179-S182 WeakPolarHBondContact O-CB 3.39Å; E179-S182 PolarHBondContact O-N 3.32Å; E179-N183 PolarHBondContact O-N 3.24Å; E179-N183 PolarHBondContact O-ND2 2.89Å; E179-N183 VanDerWaalsContact O-ND2 3.12Å; E179-N183 PolarHBondContact OE1-ND2 3.07Å; E179-H502 IonicContact OE2-CE1 3.9Å; E179-H502 IonicContact OE2-CG 3.33Å; E179-H502 IonicContact OE2-ND1 2.66Å; E179-H502 PolarHBondContact OE2-ND1 2.91Å; E179-L503 HydrophobicContact CB-CD2 4.45Å; E179-L503 HydrophobicContact CG-CD2 4.14Å; E179-L503 HydrophobicContact CG-CG 4.47Å
180	Y	93.9	Very high	94.2	Very high	95 Å²	95	36.3 Å²	36.3	37%	0.373	18%	0.177	S	C	.	.	H	α-helix	trans	-56.3	-49.3	171.9	172.5	-93.7	0	0	0	111.4	N176 S182 N183 E184 F594 F596	N176-Y180 VanDerWaalsContact O-CB 3.32Å; N176-Y180 WeakPolarHBondContact O-CB 3.31Å; N176-Y180 PolarHBondContact O-N 3.44Å; Y180-S182 VanDerWaalsContact C-N 3.31Å; Y180-S182 PolarHBondContact O-N 3.12Å; Y180-N183 PolarHBondContact O-N 3.29Å; Y180-N183 VanDerWaalsContact O-N 3.16Å; Y180-E184 HydrophobicContact CD1-CG 4.26Å; Y180-E184 HydrophobicContact CE1-CG 3.77Å; Y180-E184 HydrophobicContact CE2-CG 4.03Å; Y180-E184 WeakPolarHBondContact O-CG 3.38Å; Y180-E184 PolarHBondContact O-N 3.29Å; Y180-F594 HydrophobicContact CE1-CE1 4.19Å; Y180-F594 AromaticContact CE1-CZ 3.95Å; Y180-F594 HydrophobicContact CE1-CZ 3.95Å; Y180-F596 HydrophobicContact CD1-CE1 4.07Å; Y180-F596 AromaticContact CD1-CZ 3.53Å; Y180-F596 HydrophobicContact CD1-CZ 3.53Å; Y180-F596 AromaticContact CE1-CE1 3.7Å; Y180-F596 HydrophobicContact CE1-CE1 3.7Å; Y180-F596 AromaticContact CE1-CZ 3.5Å; Y180-F596 HydrophobicContact CE1-CZ 3.5Å
181	L	94.7	Very high	94.7	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-64.2	-36.4	-179.5	-166.8	64	0	0	0	112.5	Y177 L178 E179 L185 L308 I311 L312 L315 W322	Y177-L181 WeakPolarHBondContact O-CB 3.26Å; Y177-L181 PolarHBondContact O-N 2.97Å; L178-L181 PolarHBondContact O-N 2.86Å; E179-L181 VanDerWaalsContact C-N 3.35Å; E179-L181 PolarHBondContact O-N 3.18Å; L181-L185 WeakPolarHBondContact O-CB 3.25Å; L181-L185 PolarHBondContact O-N 3.24Å; L181-L308 HydrophobicContact CD1-CD2 3.88Å; L181-I311 HydrophobicContact CD1-CG2 4.46Å; L181-I311 HydrophobicContact CD2-CG2 4.05Å; L181-L312 HydrophobicContact CD2-CD2 3.49Å; L181-L312 VanDerWaalsContact CD2-CD2 3.49Å; L181-L312 HydrophobicContact CD2-CG 4Å; L181-L315 HydrophobicContact CD2-CD1 4.43Å; L181-W322 HydrophobicContact CB-CH2 4.29Å; L181-W322 HydrophobicContact CB-CZ2 4.33Å; L181-W322 HydrophobicContact CD2-CH2 3.96Å; L181-W322 HydrophobicContact CD2-CZ2 4.33Å; L181-W322 HydrophobicContact CD2-CZ3 4.4Å; L181-W322 HydrophobicContact CG-CH2 3.81Å; L181-W322 HydrophobicContact CG-CZ2 4.3Å
182	S	97.8	Very high	95.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.7	-47.2	172.6	-178.2	0	0	0	0	110.9	L178 E179 Y180 E184 L185 Q186 Q326 K329 H502	L178-S182 WeakPolarHBondContact O-CB 3.32Å; L178-S182 PolarHBondContact O-N 2.86Å; E179-S182 WeakPolarHBondContact O-CB 3.39Å; E179-S182 PolarHBondContact O-N 3.32Å; Y180-S182 VanDerWaalsContact C-N 3.31Å; Y180-S182 PolarHBondContact O-N 3.12Å; S182-E184 PolarHBondContact O-N 3.04Å; S182-L185 PolarHBondContact O-N 3.18Å; S182-Q186 WeakPolarHBondContact O-CB 3.29Å; S182-Q186 WeakPolarHBondContact O-CG 3.33Å; S182-Q186 PolarHBondContact O-N 3.23Å; S182-Q326 PolarHBondContact OG-OE1 3.15Å; S182-K329 PolarHBondContact OG-NZ 3.36Å; S182-H502 WeakPolarHBondContact CB-CE1 3.4Å
183	N	97.5	Very high	95.5	Very high	80 Å²	80	36 Å²	36	43%	0.428	18%	0.176	S	C	.	.	H	α-helix	trans	-64.2	-41.5	-179.8	-71.4	-35.6	0	0	0	112.5	E179 Y180 Q186 S187	E179-N183 PolarHBondContact O-N 3.24Å; E179-N183 PolarHBondContact O-ND2 2.89Å; E179-N183 VanDerWaalsContact O-ND2 3.12Å; E179-N183 PolarHBondContact OE1-ND2 3.07Å; Y180-N183 PolarHBondContact O-N 3.29Å; Y180-N183 VanDerWaalsContact O-N 3.16Å; N183-Q186 PolarHBondContact O-N 3.31Å; N183-S187 WeakPolarHBondContact O-CB 3.35Å; N183-S187 PolarHBondContact O-N 2.88Å
184	E	95.9	Very high	96	Very high	88 Å²	88	35.9 Å²	35.9	41%	0.411	17%	0.174	S	C	.	.	H	α-helix	trans	-59.5	-48.3	173.3	-70.8	-61.2	124.2	0	0	111.3	Y180 S182 S187 E188	Y180-E184 HydrophobicContact CD1-CG 4.26Å; Y180-E184 HydrophobicContact CE1-CG 3.77Å; Y180-E184 HydrophobicContact CE2-CG 4.03Å; Y180-E184 WeakPolarHBondContact O-CG 3.38Å; Y180-E184 PolarHBondContact O-N 3.29Å; S182-E184 PolarHBondContact O-N 3.04Å; E184-S187 WeakPolarHBondContact O-CB 3.15Å; E184-S187 PolarHBondContact O-N 2.93Å; E184-E188 PolarHBondContact O-N 3.34Å
185	L	97	Very high	96.3	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-65.9	-42.5	178.4	-178.9	57.6	0	0	0	112	L181 S182 S187 E188 L189 Y229 L308 W322 F323 Q326	L181-L185 WeakPolarHBondContact O-CB 3.25Å; L181-L185 PolarHBondContact O-N 3.24Å; S182-L185 PolarHBondContact O-N 3.18Å; L185-S187 VanDerWaalsContact C-N 3.32Å; L185-S187 PolarHBondContact O-N 2.79Å; L185-E188 PolarHBondContact O-N 3.41Å; L185-L189 HydrophobicContact CD1-CD1 4.47Å; L185-L189 HydrophobicContact CD1-CD2 4.4Å; L185-L189 HydrophobicContact CD1-CG 4.12Å; L185-L189 HydrophobicContact CG-CD1 4.15Å; L185-L189 HydrophobicContact CG-CG 4.28Å; L185-L189 WeakPolarHBondContact O-CB 3.44Å; L185-L189 VanDerWaalsContact O-CG 3.23Å; L185-L189 WeakPolarHBondContact O-CG 3.43Å; L185-L189 PolarHBondContact O-N 3.4Å; L185-Y229 HydrophobicContact CD1-CE2 3.99Å; L185-L308 HydrophobicContact CD2-CD1 4.36Å; L185-W322 HydrophobicContact CD2-CH2 4.14Å; L185-W322 HydrophobicContact CD2-CZ3 3.87Å; L185-F323 HydrophobicContact CD2-CD2 4Å; L185-F323 HydrophobicContact CD2-CE2 4.25Å; L185-Q326 HydrophobicContact CD2-CB 3.69Å; L185-Q326 HydrophobicContact CD2-CG 3.95Å
186	Q	98.4	Very high	96.4	Very high	29 Å²	29	42.7 Å²	42.7	14%	0.136	22%	0.223	C	C	.	.	H	α-helix	trans	-62.8	-39.2	177.6	-69.8	-61.7	-45.7	0	0	111.7	S182 N183 L189 F190 Q326	S182-Q186 WeakPolarHBondContact O-CB 3.29Å; S182-Q186 WeakPolarHBondContact O-CG 3.33Å; S182-Q186 PolarHBondContact O-N 3.23Å; N183-Q186 PolarHBondContact O-N 3.31Å; Q186-L189 PolarHBondContact O-N 2.88Å; Q186-F190 WeakPolarHBondContact O-CB 3.47Å; Q186-F190 PolarHBondContact O-N 2.73Å; Q186-Q326 PolarHBondContact NE2-O 2.85Å
187	S	98.2	Very high	96.7	Very high	58 Å²	58	40 Å²	40	41%	0.406	21%	0.212	S	C	.	.	H	α-helix	trans	-61.4	-44.8	173	-179.4	0	0	0	0	111.3	N183 E184 L185 F190 Q191	N183-S187 WeakPolarHBondContact O-CB 3.35Å; N183-S187 PolarHBondContact O-N 2.88Å; E184-S187 WeakPolarHBondContact O-CB 3.15Å; E184-S187 PolarHBondContact O-N 2.93Å; L185-S187 VanDerWaalsContact C-N 3.32Å; L185-S187 PolarHBondContact O-N 2.79Å; S187-F190 WeakPolarHBondContact O-CB 3.46Å; S187-F190 PolarHBondContact O-N 2.99Å; S187-Q191 WeakPolarHBondContact O-CG 3.29Å; S187-Q191 PolarHBondContact O-N 3.33Å; S187-Q191 PolarHBondContact OG-NE2 3.19Å
188	E	97.8	Very high	97	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.019	21%	0.209	C	C	.	.	H	α-helix	trans	-64.5	-46.6	177.1	-171.9	-174.3	178.4	0	0	112.4	E184 L185 F190 Q191 L192 Y229 G586 A587 H588 R591	E184-E188 PolarHBondContact O-N 3.34Å; L185-E188 PolarHBondContact O-N 3.41Å; E188-F190 PolarHBondContact O-N 2.78Å; E188-Q191 WeakPolarHBondContact O-CB 3.49Å; E188-Q191 PolarHBondContact O-N 2.72Å; E188-L192 PolarHBondContact O-N 3.31Å; E188-Y229 HydrophobicContact CG-CE2 4.34Å; E188-Y229 PolarHBondContact OE1-OH 2.83Å; E188-Y229 PolarHBondContact OE2-OH 3.13Å; E188-G586 VanDerWaalsContact OE1-CA 3.25Å; E188-G586 WeakPolarHBondContact OE1-CA 3.29Å; E188-A587 HydrophobicContact CG-CB 3.6Å; E188-A587 PolarHBondContact OE1-N 3.2Å; E188-H588 IonicContact OE1-CD2 3.67Å; E188-R591 IonicContact OE1-CZ 3.25Å; E188-R591 IonicContact OE1-NH1 2.97Å; E188-R591 IonicContact OE1-NH2 2.71Å; E188-R591 PolarHBondContact OE1-NH2 3.42Å; E188-R591 IonicContact OE2-CZ 2.6Å; E188-R591 VanDerWaalsContact OE2-CZ 3.25Å; E188-R591 IonicContact OE2-NH1 2.73Å; E188-R591 PolarHBondContact OE2-NH1 2.71Å; E188-R591 IonicContact OE2-NH2 3.3Å; E188-R591 PolarHBondContact OE2-NH2 2.93Å
189	L	98.6	Very high	97	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.4	-39	176.2	-68.4	174.4	0	0	0	110.6	L185 Q186 L192 Q193 F225 Y229 L327 F330	L185-L189 HydrophobicContact CD1-CD1 4.47Å; L185-L189 HydrophobicContact CD1-CD2 4.4Å; L185-L189 HydrophobicContact CD1-CG 4.12Å; L185-L189 HydrophobicContact CG-CD1 4.15Å; L185-L189 HydrophobicContact CG-CG 4.28Å; L185-L189 WeakPolarHBondContact O-CB 3.44Å; L185-L189 VanDerWaalsContact O-CG 3.23Å; L185-L189 WeakPolarHBondContact O-CG 3.43Å; L185-L189 PolarHBondContact O-N 3.4Å; Q186-L189 PolarHBondContact O-N 2.88Å; L189-L192 PolarHBondContact O-N 3.38Å; L189-Q193 WeakPolarHBondContact O-CB 3.47Å; L189-Q193 WeakPolarHBondContact O-CG 3.12Å; L189-Q193 PolarHBondContact O-N 3.48Å; L189-F225 HydrophobicContact CB-CZ 4.03Å; L189-F225 HydrophobicContact CD1-CE1 4.09Å; L189-F225 HydrophobicContact CD1-CZ 4.41Å; L189-F225 HydrophobicContact CD2-CE1 3.95Å; L189-F225 HydrophobicContact CD2-CE2 4.26Å; L189-F225 HydrophobicContact CD2-CZ 3.68Å; L189-F225 HydrophobicContact CG-CE1 4.4Å; L189-F225 HydrophobicContact CG-CZ 4.23Å; L189-Y229 HydrophobicContact CD2-CD2 3.58Å; L189-Y229 HydrophobicContact CD2-CE2 3.97Å; L189-Y229 HydrophobicContact CD2-CG 4.45Å; L189-L327 HydrophobicContact CD1-CD2 3.81Å; L189-L327 HydrophobicContact CD2-CD2 3.71Å; L189-L327 HydrophobicContact CG-CD2 4.41Å; L189-F330 HydrophobicContact CB-CD2 3.52Å; L189-F330 HydrophobicContact CB-CE2 3.7Å; L189-F330 HydrophobicContact CB-CG 4.21Å; L189-F330 HydrophobicContact CB-CZ 4.49Å; L189-F330 HydrophobicContact CD1-CB 4.04Å; L189-F330 HydrophobicContact CD1-CD2 4.08Å; L189-F330 HydrophobicContact CD1-CG 4.24Å; L189-F330 HydrophobicContact CG-CD2 4.46Å
190	F	98.5	Very high	96.9	Very high	86 Å²	86	47.9 Å²	47.9	38%	0.377	25%	0.253	S	S	.	.	H	α-helix	trans	-63.1	-42.1	174.5	-176.4	-91.6	0	0	0	112.2	Q186 S187 E188 Q193 N194 Q258 F330	Q186-F190 WeakPolarHBondContact O-CB 3.47Å; Q186-F190 PolarHBondContact O-N 2.73Å; S187-F190 WeakPolarHBondContact O-CB 3.46Å; S187-F190 PolarHBondContact O-N 2.99Å; E188-F190 PolarHBondContact O-N 2.78Å; F190-Q193 PolarHBondContact O-N 2.94Å; F190-N194 HydrophobicContact CE1-CB 4.45Å; F190-N194 WeakPolarHBondContact CE2-ND2 3.43Å; F190-N194 WeakPolarHBondContact O-CB 3.44Å; F190-N194 PolarHBondContact O-N 3.48Å; F190-N194 PolarHBondContact O-ND2 3.14Å; F190-Q258 HydrophobicContact CE2-CG 4.38Å; F190-F330 HydrophobicContact CB-CE2 4.17Å
191	Q	98.2	Very high	97	Very high	84 Å²	84	44 Å²	44	39%	0.393	24%	0.24	S	C	.	.	H	α-helix	trans	-66	-43.6	176.5	-68.2	173.3	35.3	0	0	112.2	S187 E188 Q193 N194 A587 H588	S187-Q191 WeakPolarHBondContact O-CG 3.29Å; S187-Q191 PolarHBondContact O-N 3.33Å; S187-Q191 PolarHBondContact OG-NE2 3.19Å; E188-Q191 WeakPolarHBondContact O-CB 3.49Å; E188-Q191 PolarHBondContact O-N 2.72Å; Q191-Q193 PolarHBondContact O-N 2.82Å; Q191-N194 CarbonylContact O-C 3.51Å; Q191-N194 PolarHBondContact O-N 2.98Å; Q191-N194 VanDerWaalsContact O-N 3.09Å; Q191-A587 HydrophobicContact CB-CB 3.81Å; Q191-H588 PolarHBondContact OE1-CE1 3.02Å
192	L	98.1	Very high	97	Very high	10 Å²	10	48.3 Å²	48.3	5%	0.052	26%	0.259	C	S	.	.	H	α-helix	trans	-56.9	-39.8	175.2	-177.7	72.4	0	0	0	111.2	E188 L189 F225 Y229 R233 T234 A587	E188-L192 PolarHBondContact O-N 3.31Å; L189-L192 PolarHBondContact O-N 3.38Å; L192-F225 HydrophobicContact CD2-CE2 4.42Å; L192-Y229 HydrophobicContact CD2-CD2 3.97Å; L192-R233 WeakPolarHBondContact CG-O 3.28Å; L192-T234 PolarHBondContact O-OG1 3.19Å; L192-A587 HydrophobicContact CB-CB 4.03Å
193	Q	98.4	Very high	97	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-79.5	-15.9	179.9	-70.2	-60.4	107.7	0	0	114.1	L189 F190 Q191 P195 F225 L235 L256 S257 F330	L189-Q193 WeakPolarHBondContact O-CB 3.47Å; L189-Q193 WeakPolarHBondContact O-CG 3.12Å; L189-Q193 PolarHBondContact O-N 3.48Å; F190-Q193 PolarHBondContact O-N 2.94Å; Q191-Q193 PolarHBondContact O-N 2.82Å; Q193-P195 VanDerWaalsContact C-CD 3.43Å; Q193-P195 WeakPolarHBondContact O-CD 3.43Å; Q193-F225 HydrophobicContact CG-CE2 3.93Å; Q193-F225 HydrophobicContact CG-CZ 4.03Å; Q193-L235 PolarHBondContact NE2-O 3.26Å; Q193-L256 VanDerWaalsContact CB-O 3.23Å; Q193-L256 WeakPolarHBondContact CB-O 3.38Å; Q193-L256 WeakPolarHBondContact CG-O 3.2Å; Q193-L256 PolarHBondContact NE2-O 3.01Å; Q193-S257 WeakPolarHBondContact O-CB 3.06Å; Q193-S257 PolarHBondContact O-OG 3.47Å; Q193-F330 HydrophobicContact CB-CZ 4.18Å; Q193-F330 HydrophobicContact CG-CE1 3.82Å; Q193-F330 HydrophobicContact CG-CZ 3.8Å
194	N	98	Very high	96.9	Very high	17 Å²	17	44.5 Å²	44.5	9%	0.091	24%	0.239	C	C	.	.	S	Bend	trans	-128.2	64.6	-176.4	-64.5	-81.1	0	0	0	111.4	F190 Q191 S257 Q258 K259	F190-N194 HydrophobicContact CE1-CB 4.45Å; F190-N194 WeakPolarHBondContact CE2-ND2 3.43Å; F190-N194 WeakPolarHBondContact O-CB 3.44Å; F190-N194 PolarHBondContact O-N 3.48Å; F190-N194 PolarHBondContact O-ND2 3.14Å; Q191-N194 CarbonylContact O-C 3.51Å; Q191-N194 PolarHBondContact O-N 2.98Å; Q191-N194 VanDerWaalsContact O-N 3.09Å; N194-S257 PolarHBondContact OD1-OG 3.21Å; N194-Q258 WeakPolarHBondContact OD1-CB 3.46Å; N194-Q258 PolarHBondContact OD1-N 3.35Å; N194-K259 HydrophobicContact CB-CD 4.35Å; N194-K259 PolarHBondContact OD1-N 3.02Å
195	P	96.9	Very high	96.9	Very high	29 Å²	29	40.4 Å²	40.4	19%	0.188	22%	0.22	C	C	.	.			trans	-61.2	162.3	-179.9	28.1	-36.3	0	0	0	111.9	Q193 S197 A201	Q193-P195 VanDerWaalsContact C-CD 3.43Å; Q193-P195 WeakPolarHBondContact O-CD 3.43Å; P195-S197 VanDerWaalsContact C-N 3.25Å; P195-S197 PolarHBondContact O-N 2.96Å; P195-A201 HydrophobicContact CB-CB 4.02Å; P195-A201 HydrophobicContact CG-CB 3.56Å
196	S	95.3	Very high	96.8	Very high	134 Å²	134	40.2 Å²	40.2	94%	0.937	22%	0.219	S	C	*	.	S	Bend	trans	-65	-27.3	179.7	55.7	0	0	0	0	113.6
197	S	96.3	Very high	96.5	Very high	34 Å²	34	39.4 Å²	39.4	24%	0.238	22%	0.216	C	C	.	.			trans	-143.5	112	177.6	171.1	0	0	0	0	109.9	P195 T199 K200 A201	P195-S197 VanDerWaalsContact C-N 3.25Å; P195-S197 PolarHBondContact O-N 2.96Å; S197-T199 VanDerWaalsContact C-N 3.32Å; S197-T199 PolarHBondContact O-N 2.92Å; S197-T199 PolarHBondContact OG-OG1 3.11Å; S197-K200 PolarHBondContact O-N 3.14Å; S197-K200 WeakPolarHBondContact OG-CG 3.27Å; S197-K200 PolarHBondContact OG-N 3.36Å; S197-A201 PolarHBondContact O-N 3.2Å
198	C	97.6	Very high	96.2	Very high	17 Å²	17	36.7 Å²	36.7	12%	0.115	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-63.7	-36.6	178.9	-61.1	0	0	0	0	111.9	K200 A201 Y203 C260 D264	C198-K200 VanDerWaalsContact C-N 3.28Å; C198-K200 PolarHBondContact O-N 2.82Å; C198-A201 PolarHBondContact O-N 3.15Å; C198-Y203 VanDerWaalsContact CA-OH 3.27Å; C198-Y203 WeakPolarHBondContact CA-OH 3.43Å; C198-Y203 WeakPolarHBondContact CB-OH 3.45Å; C198-Y203 WeakPolarHBondContact O-CE2 3.36Å; C198-Y203 PolarHBondContact O-OH 3.15Å; C198-C260 HydrophobicContact CB-CB 3.77Å; C198-C260 WeakPolarHBondContact CB-SG 3.41Å; C198-C260 WeakPolarHBondContact SG-CA 3.36Å; C198-C260 WeakPolarHBondContact SG-CB 3.31Å; C198-C260 CovalentContact SG-SG 2.05Å; C198-C260 PolarHBondContact SG-SG 3.44Å; C198-D264 HydrophobicContact CB-CB 3.67Å
199	T	95.2	Very high	95.7	Very high	57 Å²	57	41.2 Å²	41.2	35%	0.35	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-68.7	-24	178.2	53.3	0	0	0	0	114	S197 Q283	S197-T199 VanDerWaalsContact C-N 3.32Å; S197-T199 PolarHBondContact O-N 2.92Å; S197-T199 PolarHBondContact OG-OG1 3.11Å; T199-Q283 PolarHBondContact O-NE2 2.94Å
200	K	93	Very high	95.1	Very high	177 Å²	177	43.3 Å²	43.3	77%	0.77	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-96.1	-11.3	176.1	-65.6	-179.6	-179.4	-179.8	0	113.5	S197 C198	S197-K200 PolarHBondContact O-N 3.14Å; S197-K200 WeakPolarHBondContact OG-CG 3.27Å; S197-K200 PolarHBondContact OG-N 3.36Å; C198-K200 VanDerWaalsContact C-N 3.28Å; C198-K200 PolarHBondContact O-N 2.82Å
201	A	95.6	Very high	94.4	Very high	12 Å²	12	45.1 Å²	45.1	10%	0.099	25%	0.25	C	C	.	.			trans	-70.6	157.9	-179.5	0	0	0	0	0	111.5	P195 S197 C198 Y203 Q283	P195-A201 HydrophobicContact CB-CB 4.02Å; P195-A201 HydrophobicContact CG-CB 3.56Å; S197-A201 PolarHBondContact O-N 3.2Å; C198-A201 PolarHBondContact O-N 3.15Å; A201-Y203 HydrophobicContact CB-CE1 4.48Å; A201-Y203 HydrophobicContact CB-CE2 4Å; A201-Y203 WeakPolarHBondContact O-CE2 3.28Å; A201-Q283 WeakPolarHBondContact O-CG 3.35Å
202	K	95.1	Very high	93.8	Very high	94 Å²	94	42.9 Å²	42.9	41%	0.409	24%	0.243	S	C	.	.			trans	-104.4	147.5	170.8	-67.8	-174.2	-178.4	176.6	0	109.5	R233 T234 N280 Q283	K202-R233 HydrophobicContact CB-CG 3.83Å; K202-R233 CarbonylContact O-C 3.24Å; K202-R233 WeakPolarHBondContact O-CA 3Å; K202-R233 WeakPolarHBondContact O-CB 3.41Å; K202-T234 PolarHBondContact O-N 3.37Å; K202-N280 PolarHBondContact NZ-O 3.03Å; K202-Q283 CarbonylContact C-O 3.59Å; K202-Q283 WeakPolarHBondContact CA-O 3.43Å
203	Y	96.7	Very high	93.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	143.8	-168	-63.7	-81.7	0	0	0	112.8	C198 A201 R233 T234 I236 C260 I265 Q283 I285	C198-Y203 VanDerWaalsContact CA-OH 3.27Å; C198-Y203 WeakPolarHBondContact CA-OH 3.43Å; C198-Y203 WeakPolarHBondContact CB-OH 3.45Å; C198-Y203 WeakPolarHBondContact O-CE2 3.36Å; C198-Y203 PolarHBondContact O-OH 3.15Å; A201-Y203 HydrophobicContact CB-CE1 4.48Å; A201-Y203 HydrophobicContact CB-CE2 4Å; A201-Y203 WeakPolarHBondContact O-CE2 3.28Å; Y203-R233 PolarHBondContact O-NH1 2.94Å; Y203-T234 CarbonylContact C-O 3.37Å; Y203-T234 VanDerWaalsContact CA-O 3.23Å; Y203-T234 WeakPolarHBondContact CA-O 3.49Å; Y203-T234 HydrophobicContact CD1-CG2 4.08Å; Y203-T234 HydrophobicContact CE1-CG2 3.9Å; Y203-I236 HydrophobicContact CD1-CD1 4.41Å; Y203-I236 HydrophobicContact CD1-CG1 3.51Å; Y203-I236 HydrophobicContact CE1-CD1 4.26Å; Y203-I236 HydrophobicContact CE1-CG1 3.81Å; Y203-C260 HydrophobicContact CE1-CB 4.14Å; Y203-I265 HydrophobicContact CD2-CD1 4.29Å; Y203-I265 HydrophobicContact CD2-CG1 3.67Å; Y203-I265 HydrophobicContact CE2-CG1 3.97Å; Y203-I265 HydrophobicContact CG-CD1 4.16Å; Y203-I265 HydrophobicContact CG-CG1 4.01Å; Y203-Q283 HydrophobicContact CD2-CG 4.47Å; Y203-Q283 PolarHBondContact N-O 3.28Å; Y203-I285 WeakPolarHBondContact O-CG1 3.27Å; Y203-I285 PolarHBondContact O-N 3.47Å; Y203-I285 VanDerWaalsContact O-N 3.07Å
204	V	96	Very high	92.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.9	154.8	173.9	0	0	0	0	106.2	C224 M227 A228 R233 T234 L235 I236 I285 C287	V204-C224 HydrophobicContact CG1-CB 4.41Å; V204-M227 HydrophobicContact CG1-SD 4.22Å; V204-M227 HydrophobicContact CG2-CG 4.18Å; V204-M227 HydrophobicContact CG2-SD 4.29Å; V204-A228 HydrophobicContact CB-CB 4.07Å; V204-A228 HydrophobicContact CG2-CB 3.97Å; V204-R233 HydrophobicContact CG2-CB 3.93Å; V204-R233 HydrophobicContact CG2-CG 4.42Å; V204-T234 PolarHBondContact N-O 2.98Å; V204-L235 HydrophobicContact CB-CD1 4.19Å; V204-L235 HydrophobicContact CG1-CD1 3.89Å; V204-L235 CarbonylContact O-C 3.57Å; V204-L235 WeakPolarHBondContact O-CA 3.49Å; V204-I236 PolarHBondContact O-N 2.81Å; V204-I285 CarbonylContact C-O 3.47Å; V204-I285 WeakPolarHBondContact CA-O 3.37Å; V204-I285 HydrophobicContact CG2-CD1 3.99Å; V204-I285 HydrophobicContact CG2-CG1 4.04Å; V204-C287 HydrophobicContact CG1-CB 3.71Å
205	V	95.9	Very high	92.6	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126.8	178.4	-175.6	0	0	0	0	108.4	I236 D238 I265 I269 A284 I285 C287	V205-I236 CarbonylContact C-O 3.44Å; V205-I236 WeakPolarHBondContact CA-O 3.5Å; V205-D238 HydrophobicContact CG1-CB 3.89Å; V205-I265 HydrophobicContact CG2-CD1 3.72Å; V205-I269 HydrophobicContact CB-CG2 4.23Å; V205-I269 HydrophobicContact CG1-CD1 4.3Å; V205-I269 HydrophobicContact CG2-CD1 4.14Å; V205-I269 HydrophobicContact CG2-CG1 4.34Å; V205-I269 HydrophobicContact CG2-CG2 4.16Å; V205-A284 HydrophobicContact CG2-CB 4.43Å; V205-I285 PolarHBondContact N-O 3.14Å; V205-C287 WeakPolarHBondContact O-CB 3.24Å; V205-C287 PolarHBondContact O-N 3.2Å
206	A	95.2	Very high	92.4	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	147.6	-179.3	0	0	0	0	0	111.5	L221 C224 L235 I236 L237 D238 C287	A206-L221 HydrophobicContact CB-CD1 3.87Å; A206-C224 HydrophobicContact CB-CB 3.91Å; A206-L235 HydrophobicContact CB-CD1 3.88Å; A206-I236 PolarHBondContact N-O 3.24Å; A206-L237 HydrophobicContact CB-CD2 4.35Å; A206-L237 WeakPolarHBondContact O-CA 3.31Å; A206-D238 PolarHBondContact O-N 3.43Å; A206-C287 HydrophobicContact CB-CB 4.27Å
207	S	92	Very high	92.3	Very high	12 Å²	12	37.6 Å²	37.6	8%	0.084	21%	0.211	C	C	.	.			trans	-130.8	140.6	178.8	-58	0	0	0	0	109.2	H220 D238 D241	S207-H220 PolarHBondContact O-CD2 3.21Å; S207-D238 WeakPolarHBondContact OG-CB 3.44Å; S207-D241 WeakPolarHBondContact CB-OD2 3.25Å
208	L	92.5	Very high	92.4	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.2	C	C	.	.			trans	-104.8	38	-176.5	-50.9	-175.4	0	0	0	112.1	N217 L221 L237 D241 T246 W249	L208-N217 WeakPolarHBondContact CA-OD1 3.11Å; L208-N217 HydrophobicContact CB-CB 4.13Å; L208-N217 HydrophobicContact CD2-CB 4.39Å; L208-N217 PolarHBondContact O-OD1 2.94Å; L208-N217 VanDerWaalsContact O-OD1 3.13Å; L208-L221 HydrophobicContact CD1-CD2 4.42Å; L208-L221 HydrophobicContact CD2-CB 3.93Å; L208-L221 HydrophobicContact CD2-CD1 4.26Å; L208-L221 HydrophobicContact CD2-CD2 4.45Å; L208-L221 HydrophobicContact CD2-CG 4.44Å; L208-L237 HydrophobicContact CD1-CD2 4.28Å; L208-L237 HydrophobicContact CD2-CD2 4.22Å; L208-L237 HydrophobicContact CG-CD2 3.95Å; L208-D241 PolarHBondContact N-OD2 2.84Å; L208-D241 VanDerWaalsContact N-OD2 3.11Å; L208-T246 WeakPolarHBondContact CA-OG1 3.29Å; L208-T246 WeakPolarHBondContact CB-OG1 3.29Å; L208-T246 PolarHBondContact N-OG1 2.94Å; L208-W249 HydrophobicContact CD1-CB 3.87Å; L208-W249 HydrophobicContact CD1-CD2 3.78Å; L208-W249 HydrophobicContact CD1-CE3 3.53Å; L208-W249 HydrophobicContact CD1-CG 3.95Å; L208-W249 HydrophobicContact CD1-CZ3 4.35Å
209	N	86.5	Confident	92.4	Very high	99 Å²	99	35.5 Å²	35.5	53%	0.529	20%	0.196	S	C	.	.			trans	-93	13.2	179.9	56.8	21.8	0	0	0	114.7	D241	N209-D241 WeakPolarHBondContact CB-OD1 3.49Å; N209-D241 VanDerWaalsContact CB-OD2 3.28Å; N209-D241 WeakPolarHBondContact CB-OD2 3.23Å; N209-D241 VanDerWaalsContact CG-OD1 3.29Å; N209-D241 PolarHBondContact N-OD2 3.36Å; N209-D241 PolarHBondContact ND2-OD1 2.77Å
210	R	85.3	Confident	92.4	Very high	43 Å²	43	33.5 Å²	33.5	16%	0.162	18%	0.183	C	C	.	.			trans	-59.7	141.7	-178.9	-63.7	-172.9	173	-105.9	-18	109.7	C212 N217 H220 R289	R210-C212 WeakPolarHBondContact CB-SG 3.47Å; R210-C212 PolarHBondContact O-N 3.07Å; R210-N217 WeakPolarHBondContact CB-OD1 3.41Å; R210-N217 PolarHBondContact N-OD1 3.36Å; R210-N217 PolarHBondContact O-ND2 2.52Å; R210-H220 PolarHBondContact NE-CD2 3.5Å; R210-H220 PolarHBondContact NE-ND1 2.82Å; R210-H220 PolarHBondContact NE-NE2 3.08Å; R210-H220 PolarHBondContact NH2-CE1 2.92Å; R210-H220 PolarHBondContact NH2-ND1 2.85Å; R210-H220 PolarHBondContact NH2-NE2 2.72Å; R210-R289 VanDerWaalsContact NH1-CG 3.3Å; R210-R289 VanDerWaalsContact NH2-CG 3.32Å
211	P	84.9	Confident	92.7	Very high	124 Å²	124	25.1 Å²	25.1	81%	0.805	15%	0.146	S	C	*	.	S	Bend	trans	-75.7	50.4	179.9	33.8	-37.3	0	0	0	111.5
212	C	84.9	Confident	92.8	Very high	38 Å²	38	24.6 Å²	24.6	26%	0.257	14%	0.141	S	C	.	.	S	Bend	trans	-146.4	165.2	-179.5	57.6	0	0	0	0	109.7	R210 C216 N217 Y245	R210-C212 WeakPolarHBondContact CB-SG 3.47Å; R210-C212 PolarHBondContact O-N 3.07Å; C212-C216 HydrophobicContact CB-CB 3.52Å; C212-C216 WeakPolarHBondContact CB-SG 3.3Å; C212-C216 WeakPolarHBondContact SG-CB 3.28Å; C212-C216 CovalentContact SG-SG 2.03Å; C212-C216 PolarHBondContact SG-SG 2.91Å; C212-N217 PolarHBondContact O-ND2 2.84Å; C212-N217 VanDerWaalsContact O-ND2 3.15Å; C212-Y245 WeakPolarHBondContact O-CE2 3.18Å
213	A	86.4	Confident	92.9	Very high	40 Å²	40	20.2 Å²	20.2	33%	0.331	12%	0.122	S	C	.	.			trans	-71.1	174.7	-175.3	0	0	0	0	0	113.4	G215 C216 N217 Y245	A213-G215 PolarHBondContact O-N 3.11Å; A213-C216 WeakPolarHBondContact O-CB 3.35Å; A213-C216 PolarHBondContact O-N 2.73Å; A213-N217 PolarHBondContact O-N 3.18Å; A213-Y245 WeakPolarHBondContact CA-OH 3.42Å
214	F	90.7	Very high	92.9	Very high	5 Å²	5	20.2 Å²	20.2	2%	0.022	12%	0.122	C	C	.	.	H	α-helix	trans	-43.7	-53	-177	179.6	-97	0	0	0	114.3	C216 N217 A218 Y245 W248 W249 F253 M332 I466 V469 V470 L493	F214-C216 PolarHBondContact O-N 3.34Å; F214-C216 VanDerWaalsContact O-N 3.15Å; F214-N217 PolarHBondContact O-N 2.86Å; F214-A218 HydrophobicContact CE1-CB 4.2Å; F214-A218 HydrophobicContact CZ-CB 4.44Å; F214-A218 PolarHBondContact O-N 3.31Å; F214-Y245 HydrophobicContact CB-CD1 4.39Å; F214-Y245 HydrophobicContact CB-CE1 3.8Å; F214-Y245 HydrophobicContact CD2-CD1 4.04Å; F214-Y245 HydrophobicContact CD2-CE1 4.23Å; F214-Y245 PolarHBondContact N-OH 3Å; F214-W248 HydrophobicContact CE2-CE3 4.34Å; F214-W248 AromaticContact CE2-CZ3 3.99Å; F214-W248 HydrophobicContact CE2-CZ3 3.99Å; F214-W249 AromaticContact CE2-CE3 3.74Å; F214-W249 HydrophobicContact CE2-CE3 3.74Å; F214-W249 AromaticContact CE2-CZ3 3.53Å; F214-W249 HydrophobicContact CE2-CZ3 3.53Å; F214-W249 HydrophobicContact CZ-CE3 4.16Å; F214-W249 HydrophobicContact CZ-CH2 4.16Å; F214-W249 AromaticContact CZ-CZ3 3.54Å; F214-W249 HydrophobicContact CZ-CZ3 3.54Å; F214-F253 HydrophobicContact CZ-CE2 4.4Å; F214-M332 HydrophobicContact CE1-CE 4.03Å; F214-M332 HydrophobicContact CZ-CE 3.93Å; F214-I466 HydrophobicContact CD2-CG2 3.6Å; F214-I466 HydrophobicContact CE2-CG2 4.11Å; F214-I466 HydrophobicContact CG-CG2 4.25Å; F214-V469 HydrophobicContact CB-CG1 4.48Å; F214-V469 HydrophobicContact CD1-CG1 4.11Å; F214-V470 HydrophobicContact CD1-CG2 4.09Å; F214-V470 HydrophobicContact CD2-CG2 4.34Å; F214-V470 HydrophobicContact CE1-CG2 3.47Å; F214-V470 VanDerWaalsContact CE1-CG2 3.47Å; F214-V470 HydrophobicContact CE2-CG2 3.74Å; F214-V470 HydrophobicContact CG-CG2 4.49Å; F214-V470 HydrophobicContact CZ-CG2 3.28Å; F214-L493 HydrophobicContact CE1-CD2 4.11Å
215	G	92.3	Very high	93	Very high	3 Å²	3	20.2 Å²	20.2	3%	0.031	12%	0.122	C	C	.	.	H	α-helix	trans	-60	-29.5	-177.3	0	0	0	0	0	114	A213 H219	A213-G215 PolarHBondContact O-N 3.11Å; G215-H219 PolarHBondContact O-N 2.86Å; G215-H219 PolarHBondContact O-ND1 2.82Å
216	C	92.2	Very high	93.1	Very high	32 Å²	32	20.1 Å²	20.1	22%	0.216	12%	0.122	C	C	.	.	H	α-helix	trans	-74	-39.7	175.1	169.3	0	0	0	0	111.9	C212 A213 F214 H220 Q489	C212-C216 HydrophobicContact CB-CB 3.52Å; C212-C216 WeakPolarHBondContact CB-SG 3.3Å; C212-C216 WeakPolarHBondContact SG-CB 3.28Å; C212-C216 CovalentContact SG-SG 2.03Å; C212-C216 PolarHBondContact SG-SG 2.91Å; A213-C216 WeakPolarHBondContact O-CB 3.35Å; A213-C216 PolarHBondContact O-N 2.73Å; F214-C216 PolarHBondContact O-N 3.34Å; F214-C216 VanDerWaalsContact O-N 3.15Å; C216-H220 PolarHBondContact O-N 3.49Å; C216-H220 VanDerWaalsContact O-N 3.08Å; C216-Q489 HydrophobicContact CB-CG 4.34Å
217	N	94.4	Very high	93.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-68.9	-36.1	173.6	-81.4	-64.5	0	0	0	112.4	L208 R210 C212 A213 F214 H220 L221 Y245	L208-N217 WeakPolarHBondContact CA-OD1 3.11Å; L208-N217 HydrophobicContact CB-CB 4.13Å; L208-N217 HydrophobicContact CD2-CB 4.39Å; L208-N217 PolarHBondContact O-OD1 2.94Å; L208-N217 VanDerWaalsContact O-OD1 3.13Å; R210-N217 WeakPolarHBondContact CB-OD1 3.41Å; R210-N217 PolarHBondContact N-OD1 3.36Å; R210-N217 PolarHBondContact O-ND2 2.52Å; C212-N217 PolarHBondContact O-ND2 2.84Å; C212-N217 VanDerWaalsContact O-ND2 3.15Å; A213-N217 PolarHBondContact O-N 3.18Å; F214-N217 PolarHBondContact O-N 2.86Å; N217-H220 WeakPolarHBondContact O-CB 3.1Å; N217-H220 PolarHBondContact O-N 3.31Å; N217-L221 PolarHBondContact O-N 3.49Å; N217-Y245 VanDerWaalsContact ND2-CD2 3.29Å; N217-Y245 WeakPolarHBondContact ND2-CD2 3.43Å
218	A	97	Very high	93.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.3	-50.6	174.6	0	0	0	0	0	112	F214 H220 L221 M222 W249 L493	F214-A218 HydrophobicContact CE1-CB 4.2Å; F214-A218 HydrophobicContact CZ-CB 4.44Å; F214-A218 PolarHBondContact O-N 3.31Å; A218-H220 VanDerWaalsContact C-N 3.29Å; A218-H220 PolarHBondContact O-N 3.44Å; A218-L221 WeakPolarHBondContact O-CB 3.22Å; A218-L221 PolarHBondContact O-N 3.3Å; A218-L221 VanDerWaalsContact O-N 3.12Å; A218-M222 WeakPolarHBondContact O-CG 3.36Å; A218-M222 PolarHBondContact O-N 2.01Å; A218-W249 HydrophobicContact CB-CH2 3.88Å; A218-W249 HydrophobicContact CB-CZ3 3.88Å; A218-L493 HydrophobicContact CB-CD1 4.39Å; A218-L493 HydrophobicContact CB-CD2 3.72Å
219	H	97.9	Very high	93.6	Very high	6 Å²	6	19.5 Å²	19.5	3%	0.028	12%	0.118	C	C	.	.	H	α-helix	trans	-64.8	-32.9	175.8	-68.5	111.4	0	0	0	112.7	G215 L221 M222 H223 Q489 E496 F521	G215-H219 PolarHBondContact O-N 2.86Å; G215-H219 PolarHBondContact O-ND1 2.82Å; H219-L221 VanDerWaalsContact C-N 3.32Å; H219-L221 PolarHBondContact O-N 2.93Å; H219-M222 PolarHBondContact O-N 2.91Å; H219-H223 WeakPolarHBondContact O-CB 3.46Å; H219-H223 PolarHBondContact O-N 2.74Å; H219-Q489 PolarHBondContact CE1-O 3.22Å; H219-Q489 PolarHBondContact CE1-OE1 3.29Å; H219-Q489 PolarHBondContact ND1-OE1 3.42Å; H219-E496 IonicContact CD2-OE1 2.86Å; H219-E496 IonicContact CD2-OE2 3.44Å; H219-E496 PolarHBondContact CD2-OE2 2.84Å; H219-E496 VanDerWaalsContact CD2-OE2 3.29Å; H219-E496 IonicContact NE2-OE1 3.29Å; H219-E496 PolarHBondContact NE2-OE1 3Å; H219-E496 IonicContact NE2-OE2 3.75Å; H219-E496 PolarHBondContact NE2-OE2 3.17Å; H219-F521 HydrophobicContact CB-CE2 4.33Å; H219-F521 HydrophobicContact CB-CZ 4.01Å; H219-F521 AromaticContact CD2-CE2 3.68Å; H219-F521 WeakPolarHBondContact O-CZ 3.23Å
220	H	96.4	Very high	94	Very high	16 Å²	16	15 Å²	15	7%	0.074	10%	0.095	C	C	.	.	H	α-helix	trans	-59.4	-46.3	171.7	176.4	43	0	0	0	111.2	S207 R210 C216 N217 A218 M222 H223 C224 P288	S207-H220 PolarHBondContact O-CD2 3.21Å; R210-H220 PolarHBondContact NE-CD2 3.5Å; R210-H220 PolarHBondContact NE-ND1 2.82Å; R210-H220 PolarHBondContact NE-NE2 3.08Å; R210-H220 PolarHBondContact NH2-CE1 2.92Å; R210-H220 PolarHBondContact NH2-ND1 2.85Å; R210-H220 PolarHBondContact NH2-NE2 2.72Å; C216-H220 PolarHBondContact O-N 3.49Å; C216-H220 VanDerWaalsContact O-N 3.08Å; N217-H220 WeakPolarHBondContact O-CB 3.1Å; N217-H220 PolarHBondContact O-N 3.31Å; A218-H220 VanDerWaalsContact C-N 3.29Å; A218-H220 PolarHBondContact O-N 3.44Å; H220-M222 VanDerWaalsContact C-N 3.34Å; H220-M222 PolarHBondContact O-N 3.38Å; H220-H223 WeakPolarHBondContact O-CB 3.31Å; H220-H223 PolarHBondContact O-N 2.97Å; H220-C224 PolarHBondContact CE1-SG 3.5Å; H220-C224 PolarHBondContact O-N 2.92Å; H220-C224 PolarHBondContact O-SG 3.24Å; H220-P288 PolarHBondContact CE1-O 3.41Å
221	L	97.9	Very high	94.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.9	-39.6	178.1	-167	57.3	0	0	0	112.1	A206 L208 N217 A218 H219 C224 F225 L235 L237 W249 L256 L331	A206-L221 HydrophobicContact CB-CD1 3.87Å; L208-L221 HydrophobicContact CD1-CD2 4.42Å; L208-L221 HydrophobicContact CD2-CB 3.93Å; L208-L221 HydrophobicContact CD2-CD1 4.26Å; L208-L221 HydrophobicContact CD2-CD2 4.45Å; L208-L221 HydrophobicContact CD2-CG 4.44Å; N217-L221 PolarHBondContact O-N 3.49Å; A218-L221 WeakPolarHBondContact O-CB 3.22Å; A218-L221 PolarHBondContact O-N 3.3Å; A218-L221 VanDerWaalsContact O-N 3.12Å; H219-L221 VanDerWaalsContact C-N 3.32Å; H219-L221 PolarHBondContact O-N 2.93Å; L221-C224 PolarHBondContact O-N 2.98Å; L221-F225 WeakPolarHBondContact O-CB 3.12Å; L221-F225 PolarHBondContact O-N 2.97Å; L221-L235 HydrophobicContact CD1-CD2 3.93Å; L221-L237 HydrophobicContact CD1-CD2 3.61Å; L221-L237 HydrophobicContact CD1-CG 4.28Å; L221-L237 HydrophobicContact CD2-CD1 4.38Å; L221-L237 HydrophobicContact CD2-CD2 4.32Å; L221-W249 HydrophobicContact CD2-CD2 4.02Å; L221-W249 VanDerWaalsContact CD2-CE2 3.49Å; L221-W249 HydrophobicContact CD2-CH2 4.15Å; L221-W249 HydrophobicContact CD2-CZ2 3.59Å; L221-L256 HydrophobicContact CD1-CD1 4.49Å; L221-L331 HydrophobicContact CB-CD1 4.35Å; L221-L331 HydrophobicContact CD2-CD1 4.35Å; L221-L331 HydrophobicContact CD2-CD2 4.09Å; L221-L331 HydrophobicContact CG-CD1 3.93Å; L221-L331 HydrophobicContact CG-CD2 4.03Å; L221-L331 HydrophobicContact CG-CG 4.5Å
222	M	98.7	Very high	94.8	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-62.5	-42.2	174.9	-67.5	164.7	71.2	0	0	111.8	A218 H219 H220 F225 Q226 I324 L331 L493 E496	A218-M222 WeakPolarHBondContact O-CG 3.36Å; A218-M222 PolarHBondContact O-N 2.01Å; H219-M222 PolarHBondContact O-N 2.91Å; H220-M222 VanDerWaalsContact C-N 3.34Å; H220-M222 PolarHBondContact O-N 3.38Å; M222-F225 PolarHBondContact O-N 2.76Å; M222-Q226 PolarHBondContact O-N 2.75Å; M222-I324 HydrophobicContact CB-CD1 4.13Å; M222-I324 HydrophobicContact CB-CG1 4.23Å; M222-I324 HydrophobicContact CE-CB 4.43Å; M222-I324 HydrophobicContact CE-CG1 3.65Å; M222-I324 HydrophobicContact CE-CG2 4.38Å; M222-I324 VanDerWaalsContact CE-O 3.27Å; M222-I324 WeakPolarHBondContact CE-O 3.34Å; M222-L331 HydrophobicContact CB-CD1 4.32Å; M222-L331 HydrophobicContact CG-CD1 3.72Å; M222-L493 HydrophobicContact CE-CD1 4.24Å; M222-L493 HydrophobicContact SD-CD1 3.54Å; M222-L493 VanDerWaalsContact SD-CD1 3.54Å; M222-E496 HydrophobicContact CE-CB 4.35Å; M222-E496 WeakPolarHBondContact CE-OE2 3.39Å
223	H	96.8	Very high	95.3	Very high	2 Å²	2	8 Å²	8	1%	0.009	6%	0.058	C	C	.	.	H	α-helix	trans	-60.6	-46.1	171.3	159.3	-97.3	0	0	0	112.1	H219 H220 F225 Q226 M227 P288 F521	H219-H223 WeakPolarHBondContact O-CB 3.46Å; H219-H223 PolarHBondContact O-N 2.74Å; H220-H223 WeakPolarHBondContact O-CB 3.31Å; H220-H223 PolarHBondContact O-N 2.97Å; H223-F225 PolarHBondContact O-N 3.18Å; H223-Q226 WeakPolarHBondContact O-CB 3.46Å; H223-Q226 PolarHBondContact O-N 3Å; H223-Q226 VanDerWaalsContact O-N 3.17Å; H223-M227 PolarHBondContact O-N 2.88Å; H223-P288 PolarHBondContact CE1-O 3.32Å; H223-F521 HydrophobicContact CB-CE1 4.04Å; H223-F521 HydrophobicContact CB-CZ 4.2Å
224	C	97.4	Very high	95.8	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-62.3	-35.3	176.8	-62.2	0	0	0	0	111.9	V204 A206 H220 L221 M227 A228 L235 C287	V204-C224 HydrophobicContact CG1-CB 4.41Å; A206-C224 HydrophobicContact CB-CB 3.91Å; H220-C224 PolarHBondContact CE1-SG 3.5Å; H220-C224 PolarHBondContact O-N 2.92Å; H220-C224 PolarHBondContact O-SG 3.24Å; L221-C224 PolarHBondContact O-N 2.98Å; C224-M227 PolarHBondContact O-N 3.35Å; C224-A228 WeakPolarHBondContact O-CB 3.03Å; C224-A228 PolarHBondContact O-N 2.81Å; C224-L235 HydrophobicContact CB-CD1 3.84Å; C224-C287 WeakPolarHBondContact CA-SG 3.44Å; C224-C287 HydrophobicContact CB-CB 3.77Å; C224-C287 WeakPolarHBondContact CB-SG 3.39Å; C224-C287 WeakPolarHBondContact SG-CB 3.44Å; C224-C287 CovalentContact SG-SG 2.02Å; C224-C287 PolarHBondContact SG-SG 3.27Å
225	F	98.6	Very high	96.2	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-71.3	-35.1	176.7	-159.8	-158.2	0	0	0	112.2	L189 L192 Q193 L221 M222 H223 A228 Y229 L235 L327 F330 L331	L189-F225 HydrophobicContact CB-CZ 4.03Å; L189-F225 HydrophobicContact CD1-CE1 4.09Å; L189-F225 HydrophobicContact CD1-CZ 4.41Å; L189-F225 HydrophobicContact CD2-CE1 3.95Å; L189-F225 HydrophobicContact CD2-CE2 4.26Å; L189-F225 HydrophobicContact CD2-CZ 3.68Å; L189-F225 HydrophobicContact CG-CE1 4.4Å; L189-F225 HydrophobicContact CG-CZ 4.23Å; L192-F225 HydrophobicContact CD2-CE2 4.42Å; Q193-F225 HydrophobicContact CG-CE2 3.93Å; Q193-F225 HydrophobicContact CG-CZ 4.03Å; L221-F225 WeakPolarHBondContact O-CB 3.12Å; L221-F225 PolarHBondContact O-N 2.97Å; M222-F225 PolarHBondContact O-N 2.76Å; H223-F225 PolarHBondContact O-N 3.18Å; F225-A228 HydrophobicContact CD2-CB 4.28Å; F225-A228 PolarHBondContact O-N 3.04Å; F225-Y229 WeakPolarHBondContact O-CB 3.46Å; F225-Y229 PolarHBondContact O-N 3.28Å; F225-L235 HydrophobicContact CB-CD2 3.62Å; F225-L235 HydrophobicContact CD2-CB 3.95Å; F225-L235 HydrophobicContact CD2-CD2 3.75Å; F225-L235 HydrophobicContact CE2-CB 4.42Å; F225-L235 HydrophobicContact CG-CD2 3.84Å; F225-L327 HydrophobicContact CB-CD1 4.3Å; F225-L327 HydrophobicContact CD1-CB 3.86Å; F225-L327 HydrophobicContact CD1-CD1 4.45Å; F225-L327 HydrophobicContact CD1-CD2 3.97Å; F225-L327 HydrophobicContact CD1-CG 4.3Å; F225-L327 HydrophobicContact CE1-CD2 4.17Å; F225-F330 HydrophobicContact CE1-CB 3.85Å; F225-F330 AromaticContact CE1-CD1 3.49Å; F225-F330 HydrophobicContact CE1-CD1 3.49Å; F225-F330 VanDerWaalsContact CE1-CD1 3.49Å; F225-F330 HydrophobicContact CE1-CE1 4.25Å; F225-F330 AromaticContact CE1-CG 3.72Å; F225-F330 HydrophobicContact CE1-CG 3.72Å; F225-F330 AromaticContact CZ-CD1 3.63Å; F225-F330 HydrophobicContact CZ-CD1 3.63Å; F225-F330 AromaticContact CZ-CE1 3.91Å; F225-F330 HydrophobicContact CZ-CE1 3.91Å; F225-F330 HydrophobicContact CZ-CG 4.03Å; F225-L331 HydrophobicContact CB-CD1 4.03Å; F225-L331 HydrophobicContact CB-CD2 4.32Å; F225-L331 HydrophobicContact CD1-CD1 3.98Å; F225-L331 HydrophobicContact CD1-CD2 3.77Å; F225-L331 HydrophobicContact CD1-CG 3.71Å; F225-L331 HydrophobicContact CE1-CD2 4.26Å; F225-L331 HydrophobicContact CE1-CG 4.29Å; F225-L331 HydrophobicContact CG-CD1 4.41Å; F225-L331 HydrophobicContact CG-CD2 4.1Å; F225-L331 HydrophobicContact CG-CG 4.39Å
226	Q	98	Very high	96.4	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-63.7	-42.5	170.2	178.6	161.5	-26.9	0	0	111.7	M222 H223 Y229 A230 W299 A303 F323 I324 L327 M584	M222-Q226 PolarHBondContact O-N 2.75Å; H223-Q226 WeakPolarHBondContact O-CB 3.46Å; H223-Q226 PolarHBondContact O-N 3Å; H223-Q226 VanDerWaalsContact O-N 3.17Å; Q226-Y229 PolarHBondContact O-N 2.85Å; Q226-A230 VanDerWaalsContact O-CB 3.28Å; Q226-A230 WeakPolarHBondContact O-CB 3.17Å; Q226-A230 PolarHBondContact O-N 2.71Å; Q226-W299 PolarHBondContact NE2-O 3.28Å; Q226-A303 PolarHBondContact NE2-O 2.56Å; Q226-F323 HydrophobicContact CG-CE1 4.1Å; Q226-I324 VanDerWaalsContact OE1-CD1 3.3Å; Q226-L327 HydrophobicContact CB-CD1 3.74Å; Q226-M584 HydrophobicContact CG-CE 4.48Å
227	M	95.2	Very high	96.6	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-60	-45.7	173	175.8	-174.2	-95.5	0	0	111.1	V204 H223 C224 Y229 A230 T231 F273 I285 P288 V293 W299	V204-M227 HydrophobicContact CG1-SD 4.22Å; V204-M227 HydrophobicContact CG2-CG 4.18Å; V204-M227 HydrophobicContact CG2-SD 4.29Å; H223-M227 PolarHBondContact O-N 2.88Å; C224-M227 PolarHBondContact O-N 3.35Å; M227-Y229 VanDerWaalsContact C-N 3.35Å; M227-Y229 PolarHBondContact O-N 3.36Å; M227-A230 PolarHBondContact O-N 3.24Å; M227-T231 WeakPolarHBondContact O-CB 3.34Å; M227-T231 WeakPolarHBondContact O-CG2 3.45Å; M227-T231 PolarHBondContact O-N 3.15Å; M227-T231 PolarHBondContact O-OG1 3.05Å; M227-F273 HydrophobicContact CE-CD1 4.08Å; M227-F273 HydrophobicContact CE-CD2 4.35Å; M227-F273 HydrophobicContact CE-CE1 3.44Å; M227-F273 VanDerWaalsContact CE-CE1 3.44Å; M227-F273 HydrophobicContact CE-CE2 3.81Å; M227-F273 HydrophobicContact CE-CG 4.49Å; M227-F273 HydrophobicContact CE-CZ 3.32Å; M227-F273 HydrophobicContact SD-CE2 4.4Å; M227-F273 HydrophobicContact SD-CZ 4.28Å; M227-I285 HydrophobicContact SD-CD1 4.25Å; M227-P288 HydrophobicContact CE-CG 3.93Å; M227-V293 HydrophobicContact CE-CG2 4.07Å; M227-W299 HydrophobicContact CB-CH2 3.77Å; M227-W299 HydrophobicContact CB-CZ3 3.77Å; M227-W299 HydrophobicContact CE-CH2 3.56Å; M227-W299 HydrophobicContact CE-CZ2 4.19Å; M227-W299 HydrophobicContact CG-CH2 3.67Å; M227-W299 HydrophobicContact CG-CZ2 4.18Å; M227-W299 HydrophobicContact CG-CZ3 4.2Å; M227-W299 HydrophobicContact SD-CH2 4.48Å
228	A	96.8	Very high	96.5	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-59.7	-45.5	177.2	0	0	0	0	0	111.3	V204 C224 F225 T231 G232 R233 L235	V204-A228 HydrophobicContact CB-CB 4.07Å; V204-A228 HydrophobicContact CG2-CB 3.97Å; C224-A228 WeakPolarHBondContact O-CB 3.03Å; C224-A228 PolarHBondContact O-N 2.81Å; F225-A228 HydrophobicContact CD2-CB 4.28Å; F225-A228 PolarHBondContact O-N 3.04Å; A228-T231 PolarHBondContact O-N 3.18Å; A228-T231 PolarHBondContact O-OG1 3.45Å; A228-G232 PolarHBondContact O-N 3.17Å; A228-R233 WeakPolarHBondContact CB-O 3.47Å; A228-R233 PolarHBondContact O-N 2.72Å; A228-L235 HydrophobicContact CB-CB 3.95Å
229	Y	97.6	Very high	96.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.8	-44.1	175.4	-170.3	-98.7	0	0	0	112.4	L185 E188 L189 L192 F225 Q226 M227 T231 G232 P305 H307 F323 M584 I585 G586 R591	L185-Y229 HydrophobicContact CD1-CE2 3.99Å; E188-Y229 HydrophobicContact CG-CE2 4.34Å; E188-Y229 PolarHBondContact OE1-OH 2.83Å; E188-Y229 PolarHBondContact OE2-OH 3.13Å; L189-Y229 HydrophobicContact CD2-CD2 3.58Å; L189-Y229 HydrophobicContact CD2-CE2 3.97Å; L189-Y229 HydrophobicContact CD2-CG 4.45Å; L192-Y229 HydrophobicContact CD2-CD2 3.97Å; F225-Y229 WeakPolarHBondContact O-CB 3.46Å; F225-Y229 PolarHBondContact O-N 3.28Å; Q226-Y229 PolarHBondContact O-N 2.85Å; M227-Y229 VanDerWaalsContact C-N 3.35Å; M227-Y229 PolarHBondContact O-N 3.36Å; Y229-T231 VanDerWaalsContact C-N 3.27Å; Y229-T231 PolarHBondContact O-N 2.77Å; Y229-G232 PolarHBondContact O-N 3.08Å; Y229-P305 HydrophobicContact CD1-CG 4.36Å; Y229-P305 HydrophobicContact CE1-CB 4.2Å; Y229-P305 HydrophobicContact CE1-CG 3.73Å; Y229-H307 PolarHBondContact OH-CE1 3.45Å; Y229-F323 HydrophobicContact CD1-CE2 4.33Å; Y229-F323 AromaticContact CD1-CZ 3.99Å; Y229-F323 HydrophobicContact CD1-CZ 3.99Å; Y229-F323 HydrophobicContact CE1-CE2 4.28Å; Y229-F323 HydrophobicContact CE1-CZ 4.34Å; Y229-M584 HydrophobicContact CD1-CB 3.8Å; Y229-M584 HydrophobicContact CD1-CG 4.43Å; Y229-M584 HydrophobicContact CD1-SD 3.84Å; Y229-M584 HydrophobicContact CE1-CB 3.86Å; Y229-M584 HydrophobicContact CE1-SD 4.29Å; Y229-I585 PolarHBondContact O-N 3.05Å; Y229-G586 PolarHBondContact O-N 3.12Å; Y229-R591 PolarHBondContact OH-NH2 3.41Å; Y229-R591 VanDerWaalsContact OH-NH2 3.09Å
230	A	94.3	Very high	95.4	Very high	6 Å²	6	14 Å²	14	5%	0.05	9%	0.089	C	C	.	.	H	α-helix	trans	-61.9	-36.1	178.5	0	0	0	0	0	112.5	Q226 M227 W299 M584 I585	Q226-A230 VanDerWaalsContact O-CB 3.28Å; Q226-A230 WeakPolarHBondContact O-CB 3.17Å; Q226-A230 PolarHBondContact O-N 2.71Å; M227-A230 PolarHBondContact O-N 3.24Å; A230-W299 HydrophobicContact CB-CB 3.82Å; A230-W299 HydrophobicContact CB-CD2 3.57Å; A230-W299 HydrophobicContact CB-CE3 4.04Å; A230-W299 HydrophobicContact CB-CG 3.44Å; A230-W299 VanDerWaalsContact CB-CG 3.44Å; A230-M584 HydrophobicContact CB-CB 4.42Å; A230-M584 HydrophobicContact CB-CG 4Å; A230-M584 HydrophobicContact CB-SD 4.47Å; A230-I585 WeakPolarHBondContact O-CG1 3.14Å; A230-I585 PolarHBondContact O-N 2.79Å; A230-I585 VanDerWaalsContact O-N 3.12Å
231	T	92.5	Very high	94.4	Very high	24 Å²	24	14.4 Å²	14.4	15%	0.147	9%	0.092	C	C	.	.	H	α-helix	trans	-98.2	0.4	-176	57.8	0	0	0	0	114.4	M227 A228 Y229 R233	M227-T231 WeakPolarHBondContact O-CB 3.34Å; M227-T231 WeakPolarHBondContact O-CG2 3.45Å; M227-T231 PolarHBondContact O-N 3.15Å; M227-T231 PolarHBondContact O-OG1 3.05Å; A228-T231 PolarHBondContact O-N 3.18Å; A228-T231 PolarHBondContact O-OG1 3.45Å; Y229-T231 VanDerWaalsContact C-N 3.27Å; Y229-T231 PolarHBondContact O-N 2.77Å; T231-R233 VanDerWaalsContact C-N 3.3Å; T231-R233 PolarHBondContact O-N 2.82Å; T231-R233 VanDerWaalsContact OG1-CD 3.29Å; T231-R233 WeakPolarHBondContact OG1-CD 3.38Å; T231-R233 WeakPolarHBondContact OG1-CG 3.49Å
232	G	94.3	Very high	92.8	Very high	29 Å²	29	16.7 Å²	16.7	30%	0.299	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	34.5	-178.7	0	0	0	0	0	113	A228 Y229 G586	A228-G232 PolarHBondContact O-N 3.17Å; Y229-G232 PolarHBondContact O-N 3.08Å; G232-G586 WeakPolarHBondContact CA-O 3.29Å
233	R	95.4	Very high	91.3	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.011	16%	0.161	C	C	.	.			trans	-108	151.6	-178.4	-65.3	179.6	175.5	-100.8	-3.4	110.9	L192 K202 Y203 V204 A228 T231 S279 Y282 Q283	L192-R233 WeakPolarHBondContact CG-O 3.28Å; K202-R233 HydrophobicContact CB-CG 3.83Å; K202-R233 CarbonylContact O-C 3.24Å; K202-R233 WeakPolarHBondContact O-CA 3Å; K202-R233 WeakPolarHBondContact O-CB 3.41Å; Y203-R233 PolarHBondContact O-NH1 2.94Å; V204-R233 HydrophobicContact CG2-CB 3.93Å; V204-R233 HydrophobicContact CG2-CG 4.42Å; A228-R233 WeakPolarHBondContact CB-O 3.47Å; A228-R233 PolarHBondContact O-N 2.72Å; T231-R233 VanDerWaalsContact C-N 3.3Å; T231-R233 PolarHBondContact O-N 2.82Å; T231-R233 VanDerWaalsContact OG1-CD 3.29Å; T231-R233 WeakPolarHBondContact OG1-CD 3.38Å; T231-R233 WeakPolarHBondContact OG1-CG 3.49Å; R233-S279 PolarHBondContact NH2-O 3.15Å; R233-Y282 PolarHBondContact NH1-O 3.41Å; R233-Y282 PolarHBondContact NH2-O 2.66Å; R233-Q283 PolarHBondContact NH1-O 2.77Å
234	T	98.2	Very high	90.4	Very high	4 Å²	4	28.1 Å²	28.1	3%	0.025	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	130.3	168.9	-59.9	0	0	0	0	109.7	L192 K202 Y203 V204 I236	L192-T234 PolarHBondContact O-OG1 3.19Å; K202-T234 PolarHBondContact O-N 3.37Å; Y203-T234 CarbonylContact C-O 3.37Å; Y203-T234 VanDerWaalsContact CA-O 3.23Å; Y203-T234 WeakPolarHBondContact CA-O 3.49Å; Y203-T234 HydrophobicContact CD1-CG2 4.08Å; Y203-T234 HydrophobicContact CE1-CG2 3.9Å; V204-T234 PolarHBondContact N-O 2.98Å; T234-I236 HydrophobicContact CG2-CD1 4.23Å; T234-I236 HydrophobicContact CG2-CG1 4.4Å
235	L	98.4	Very high	90	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	129.3	173.3	179.5	67.3	0	0	0	110.6	Q193 V204 A206 L221 C224 F225 A228 L256 L331	Q193-L235 PolarHBondContact NE2-O 3.26Å; V204-L235 HydrophobicContact CB-CD1 4.19Å; V204-L235 HydrophobicContact CG1-CD1 3.89Å; V204-L235 CarbonylContact O-C 3.57Å; V204-L235 WeakPolarHBondContact O-CA 3.49Å; A206-L235 HydrophobicContact CB-CD1 3.88Å; L221-L235 HydrophobicContact CD1-CD2 3.93Å; C224-L235 HydrophobicContact CB-CD1 3.84Å; F225-L235 HydrophobicContact CB-CD2 3.62Å; F225-L235 HydrophobicContact CD2-CB 3.95Å; F225-L235 HydrophobicContact CD2-CD2 3.75Å; F225-L235 HydrophobicContact CE2-CB 4.42Å; F225-L235 HydrophobicContact CG-CD2 3.84Å; A228-L235 HydrophobicContact CB-CB 3.95Å; L235-L256 HydrophobicContact CD2-CD1 3.8Å; L235-L256 HydrophobicContact CG-CD1 3.86Å; L235-L331 HydrophobicContact CD2-CD2 3.96Å
236	I	97.3	Very high	89.6	Confident	10 Å²	10	29.5 Å²	29.5	5%	0.051	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.8	174.8	-65	-66.8	0	0	0	109.2	Y203 V204 V205 A206 T234 C260 I262	Y203-I236 HydrophobicContact CD1-CD1 4.41Å; Y203-I236 HydrophobicContact CD1-CG1 3.51Å; Y203-I236 HydrophobicContact CE1-CD1 4.26Å; Y203-I236 HydrophobicContact CE1-CG1 3.81Å; V204-I236 PolarHBondContact O-N 2.81Å; V205-I236 CarbonylContact C-O 3.44Å; V205-I236 WeakPolarHBondContact CA-O 3.5Å; A206-I236 PolarHBondContact N-O 3.24Å; T234-I236 HydrophobicContact CG2-CD1 4.23Å; T234-I236 HydrophobicContact CG2-CG1 4.4Å; I236-C260 HydrophobicContact CD1-CB 4.33Å; I236-I262 HydrophobicContact CG2-CB 4.14Å
237	L	95.4	Very high	89.2	Confident	14 Å²	14	33 Å²	33	7%	0.073	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	132.1	166.7	-79.9	171.1	0	0	0	109.3	A206 L208 L221 P239 T246 W249 M250 L256	A206-L237 HydrophobicContact CB-CD2 4.35Å; A206-L237 WeakPolarHBondContact O-CA 3.31Å; L208-L237 HydrophobicContact CD1-CD2 4.28Å; L208-L237 HydrophobicContact CD2-CD2 4.22Å; L208-L237 HydrophobicContact CG-CD2 3.95Å; L221-L237 HydrophobicContact CD1-CD2 3.61Å; L221-L237 HydrophobicContact CD1-CG 4.28Å; L221-L237 HydrophobicContact CD2-CD1 4.38Å; L221-L237 HydrophobicContact CD2-CD2 4.32Å; L237-P239 VanDerWaalsContact O-CD 3.27Å; L237-P239 WeakPolarHBondContact O-CD 3.33Å; L237-T246 HydrophobicContact CB-CG2 4.45Å; L237-W249 HydrophobicContact CD1-CG 4.25Å; L237-M250 HydrophobicContact CB-CG 4.49Å; L237-M250 HydrophobicContact CB-SD 4.41Å; L237-M250 HydrophobicContact CD1-CG 4.15Å; L237-L256 HydrophobicContact CD1-CD1 4.03Å; L237-L256 HydrophobicContact CD1-CG 4.23Å; L237-L256 HydrophobicContact CG-CD1 3.74Å; L237-L256 HydrophobicContact CG-CG 4.41Å
238	D	92.7	Very high	89	Confident	26 Å²	26	33.5 Å²	33.5	14%	0.139	20%	0.203	C	C	.	.			trans	-76.5	110.6	177.4	-174.3	-8.6	0	0	0	111.2	V205 A206 S207 T240 D241 T246 I262	V205-D238 HydrophobicContact CG1-CB 3.89Å; A206-D238 PolarHBondContact O-N 3.43Å; S207-D238 WeakPolarHBondContact OG-CB 3.44Å; D238-T240 PolarHBondContact O-N 2.88Å; D238-T240 WeakPolarHBondContact OD1-CB 3.47Å; D238-T240 PolarHBondContact OD1-N 3.26Å; D238-T240 PolarHBondContact OD1-OG1 3.41Å; D238-T240 PolarHBondContact OD2-OG1 2.85Å; D238-D241 WeakPolarHBondContact O-CB 3.33Å; D238-D241 PolarHBondContact O-N 3.33Å; D238-T246 VanDerWaalsContact O-CG2 3.25Å; D238-T246 WeakPolarHBondContact O-CG2 3.36Å; D238-I262 HydrophobicContact CB-CD1 4.16Å; D238-I262 WeakPolarHBondContact OD1-CD1 3.25Å
239	P	88.6	Confident	88.9	Confident	46 Å²	46	33.7 Å²	33.7	30%	0.299	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-15.7	-179.8	31.9	-36.3	0	0	0	113.1	L237 D241 Q247 M250 I262	L237-P239 VanDerWaalsContact O-CD 3.27Å; L237-P239 WeakPolarHBondContact O-CD 3.33Å; P239-D241 PolarHBondContact O-N 2.77Å; P239-Q247 PolarHBondContact O-NE2 3.48Å; P239-M250 HydrophobicContact CB-CE 4.12Å; P239-M250 HydrophobicContact CB-SD 4.22Å; P239-I262 HydrophobicContact CG-CG2 3.78Å
240	T	83.8	Confident	88.7	Confident	112 Å²	112	37.6 Å²	37.6	69%	0.687	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-8.5	-179.2	70.4	0	0	0	0	112.6	D238 G242	D238-T240 PolarHBondContact O-N 2.88Å; D238-T240 WeakPolarHBondContact OD1-CB 3.47Å; D238-T240 PolarHBondContact OD1-N 3.26Å; D238-T240 PolarHBondContact OD1-OG1 3.41Å; D238-T240 PolarHBondContact OD2-OG1 2.85Å; T240-G242 VanDerWaalsContact C-N 3.28Å; T240-G242 PolarHBondContact O-N 3.26Å
241	D	74.5	Confident	88.6	Confident	26 Å²	26	43.2 Å²	43.2	14%	0.139	25%	0.246	C	C	.	.	S	Bend	trans	-77.8	63.5	-179.2	-169.8	40.5	0	0	0	114	S207 L208 N209 D238 P239 T246	S207-D241 WeakPolarHBondContact CB-OD2 3.25Å; L208-D241 PolarHBondContact N-OD2 2.84Å; L208-D241 VanDerWaalsContact N-OD2 3.11Å; N209-D241 WeakPolarHBondContact CB-OD1 3.49Å; N209-D241 VanDerWaalsContact CB-OD2 3.28Å; N209-D241 WeakPolarHBondContact CB-OD2 3.23Å; N209-D241 VanDerWaalsContact CG-OD1 3.29Å; N209-D241 PolarHBondContact N-OD2 3.36Å; N209-D241 PolarHBondContact ND2-OD1 2.77Å; D238-D241 WeakPolarHBondContact O-CB 3.33Å; D238-D241 PolarHBondContact O-N 3.33Å; P239-D241 PolarHBondContact O-N 2.77Å; D241-T246 HydrophobicContact CB-CG2 4.32Å; D241-T246 PolarHBondContact OD2-OG1 3.31Å
242	G	64.6	Low	88.7	Confident	48 Å²	48	43 Å²	43	50%	0.495	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	178.7	165.9	0	0	0	0	0	118.4	T240 G244 Q247	T240-G242 VanDerWaalsContact C-N 3.28Å; T240-G242 PolarHBondContact O-N 3.26Å; G242-G244 PolarHBondContact O-N 3.24Å; G242-Q247 WeakPolarHBondContact O-CG 3.35Å
243	E	66	Low	88.9	Confident	206 Å²	206	41.6 Å²	41.6	96%	0.963	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	32.8	177.1	-64.3	-174.2	166.2	0	0	113.5
244	G	79.1	Confident	89	Confident	37 Å²	37	43.6 Å²	43.6	38%	0.381	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-151.5	-170.5	0	0	0	0	0	115.4	G242 T246 Q247 W248	G242-G244 PolarHBondContact O-N 3.24Å; G244-T246 PolarHBondContact O-N 3.14Å; G244-Q247 PolarHBondContact O-N 3.42Å; G244-W248 PolarHBondContact O-N 3.03Å
245	Y	88	Confident	89	Confident	28 Å²	28	47.3 Å²	47.3	11%	0.11	27%	0.266	C	S	.	.	H	α-helix	trans	-57.1	-30.7	176.4	-70.5	-65.3	0	0	0	112.7	C212 A213 F214 N217 W248 W249 I466	C212-Y245 WeakPolarHBondContact O-CE2 3.18Å; A213-Y245 WeakPolarHBondContact CA-OH 3.42Å; F214-Y245 HydrophobicContact CB-CD1 4.39Å; F214-Y245 HydrophobicContact CB-CE1 3.8Å; F214-Y245 HydrophobicContact CD2-CD1 4.04Å; F214-Y245 HydrophobicContact CD2-CE1 4.23Å; F214-Y245 PolarHBondContact N-OH 3Å; N217-Y245 VanDerWaalsContact ND2-CD2 3.29Å; N217-Y245 WeakPolarHBondContact ND2-CD2 3.43Å; Y245-W248 PolarHBondContact O-N 2.97Å; Y245-W249 VanDerWaalsContact O-CB 3.25Å; Y245-W249 WeakPolarHBondContact O-CB 3.45Å; Y245-W249 PolarHBondContact O-N 3.44Å; Y245-I466 HydrophobicContact CD1-CD1 3.69Å; Y245-I466 HydrophobicContact CD1-CG1 4.3Å; Y245-I466 HydrophobicContact CD1-CG2 4.33Å; Y245-I466 HydrophobicContact CE1-CD1 3.59Å; Y245-I466 HydrophobicContact CE1-CG1 3.79Å; Y245-I466 HydrophobicContact CE1-CG2 4.26Å
246	T	90.8	Very high	89	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-51.7	179	-52.6	0	0	0	0	111.5	L208 L237 D238 D241 G244 W249 M250	L208-T246 WeakPolarHBondContact CA-OG1 3.29Å; L208-T246 WeakPolarHBondContact CB-OG1 3.29Å; L208-T246 PolarHBondContact N-OG1 2.94Å; L237-T246 HydrophobicContact CB-CG2 4.45Å; D238-T246 VanDerWaalsContact O-CG2 3.25Å; D238-T246 WeakPolarHBondContact O-CG2 3.36Å; D241-T246 HydrophobicContact CB-CG2 4.32Å; D241-T246 PolarHBondContact OD2-OG1 3.31Å; G244-T246 PolarHBondContact O-N 3.14Å; T246-W249 PolarHBondContact O-N 2.83Å; T246-M250 HydrophobicContact CG2-SD 4.23Å; T246-M250 WeakPolarHBondContact O-CG 3.32Å; T246-M250 PolarHBondContact O-N 3.31Å
247	Q	89.3	Confident	89	Confident	75 Å²	75	48 Å²	48	35%	0.35	27%	0.271	S	S	.	.	H	α-helix	trans	-65.6	-41.4	177.6	-67.5	-61.6	-31.3	0	0	111.9	P239 G242 G244 W249 M250 K251	P239-Q247 PolarHBondContact O-NE2 3.48Å; G242-Q247 WeakPolarHBondContact O-CG 3.35Å; G244-Q247 PolarHBondContact O-N 3.42Å; Q247-W249 VanDerWaalsContact C-N 3.31Å; Q247-W249 PolarHBondContact O-N 2.89Å; Q247-M250 PolarHBondContact O-N 3.16Å; Q247-K251 VanDerWaalsContact O-CB 3.29Å; Q247-K251 WeakPolarHBondContact O-CB 3.25Å; Q247-K251 PolarHBondContact O-N 2.97Å
248	W	91.2	Very high	89	Confident	9 Å²	9	53.9 Å²	53.9	3%	0.034	30%	0.298	C	S	.	.	H	α-helix	trans	-59.7	-43.2	175	-170.5	95.5	0	0	0	111.6	F214 G244 Y245 K251 N252 F253 E463 I466 M467 V470	F214-W248 HydrophobicContact CE2-CE3 4.34Å; F214-W248 AromaticContact CE2-CZ3 3.99Å; F214-W248 HydrophobicContact CE2-CZ3 3.99Å; G244-W248 PolarHBondContact O-N 3.03Å; Y245-W248 PolarHBondContact O-N 2.97Å; W248-K251 PolarHBondContact O-N 3.02Å; W248-N252 VanDerWaalsContact CE2-ND2 3.34Å; W248-N252 HydrophobicContact CE3-CB 4.38Å; W248-N252 HydrophobicContact CH2-CB 4.06Å; W248-N252 HydrophobicContact CZ2-CB 4.24Å; W248-N252 HydrophobicContact CZ3-CB 4.15Å; W248-N252 PolarHBondContact NE1-ND2 2.98Å; W248-N252 WeakPolarHBondContact O-CB 3.47Å; W248-N252 PolarHBondContact O-N 3.25Å; W248-N252 VanDerWaalsContact O-N 3.08Å; W248-N252 PolarHBondContact O-ND2 2.99Å; W248-F253 HydrophobicContact CZ3-CD2 4.43Å; W248-F253 AromaticContact CZ3-CE2 3.75Å; W248-F253 HydrophobicContact CZ3-CE2 3.75Å; W248-F253 HydrophobicContact CZ3-CZ 4.2Å; W248-E463 PolarHBondContact NE1-O 2.75Å; W248-I466 HydrophobicContact CB-CD1 4.22Å; W248-I466 HydrophobicContact CD2-CB 4.01Å; W248-I466 HydrophobicContact CD2-CD1 4.34Å; W248-I466 HydrophobicContact CD2-CG2 3.44Å; W248-I466 VanDerWaalsContact CD2-CG2 3.44Å; W248-I466 VanDerWaalsContact CE2-CG2 3.49Å; W248-I466 HydrophobicContact CE3-CG2 3.54Å; W248-I466 HydrophobicContact CG-CB 4.36Å; W248-I466 HydrophobicContact CG-CD1 3.88Å; W248-I466 HydrophobicContact CG-CG2 4.13Å; W248-I466 HydrophobicContact CH2-CG2 3.83Å; W248-I466 HydrophobicContact CZ2-CB 4.03Å; W248-I466 HydrophobicContact CZ2-CG2 3.7Å; W248-I466 HydrophobicContact CZ3-CG2 3.73Å; W248-M467 HydrophobicContact CH2-CE 4.37Å; W248-M467 HydrophobicContact CH2-SD 4.48Å; W248-M467 HydrophobicContact CZ2-CB 4.02Å; W248-M467 HydrophobicContact CZ2-CE 3.79Å; W248-M467 HydrophobicContact CZ2-SD 4.15Å; W248-V470 HydrophobicContact CH2-CB 4.07Å; W248-V470 HydrophobicContact CH2-CG1 4.36Å; W248-V470 HydrophobicContact CH2-CG2 3.59Å; W248-V470 HydrophobicContact CZ3-CG2 3.89Å
249	W	94	Very high	89.1	Confident	4 Å²	4	59.1 Å²	59.1	2%	0.015	32%	0.319	C	S	.	.	H	α-helix	trans	-62.5	-48.5	177.6	-161.9	-67.3	0	0	0	111.2	L208 F214 A218 L221 L237 Y245 T246 Q247 K251 N252 F253 L331 M332	L208-W249 HydrophobicContact CD1-CB 3.87Å; L208-W249 HydrophobicContact CD1-CD2 3.78Å; L208-W249 HydrophobicContact CD1-CE3 3.53Å; L208-W249 HydrophobicContact CD1-CG 3.95Å; L208-W249 HydrophobicContact CD1-CZ3 4.35Å; F214-W249 AromaticContact CE2-CE3 3.74Å; F214-W249 HydrophobicContact CE2-CE3 3.74Å; F214-W249 AromaticContact CE2-CZ3 3.53Å; F214-W249 HydrophobicContact CE2-CZ3 3.53Å; F214-W249 HydrophobicContact CZ-CE3 4.16Å; F214-W249 HydrophobicContact CZ-CH2 4.16Å; F214-W249 AromaticContact CZ-CZ3 3.54Å; F214-W249 HydrophobicContact CZ-CZ3 3.54Å; A218-W249 HydrophobicContact CB-CH2 3.88Å; A218-W249 HydrophobicContact CB-CZ3 3.88Å; L221-W249 HydrophobicContact CD2-CD2 4.02Å; L221-W249 VanDerWaalsContact CD2-CE2 3.49Å; L221-W249 HydrophobicContact CD2-CH2 4.15Å; L221-W249 HydrophobicContact CD2-CZ2 3.59Å; L237-W249 HydrophobicContact CD1-CG 4.25Å; Y245-W249 VanDerWaalsContact O-CB 3.25Å; Y245-W249 WeakPolarHBondContact O-CB 3.45Å; Y245-W249 PolarHBondContact O-N 3.44Å; T246-W249 PolarHBondContact O-N 2.83Å; Q247-W249 VanDerWaalsContact C-N 3.31Å; Q247-W249 PolarHBondContact O-N 2.89Å; W249-K251 VanDerWaalsContact C-N 3.29Å; W249-K251 PolarHBondContact O-N 2.62Å; W249-N252 PolarHBondContact O-N 2.84Å; W249-F253 HydrophobicContact CB-CD2 4.48Å; W249-F253 AromaticContact CD1-CD2 3.56Å; W249-F253 AromaticContact CD2-CD2 3.67Å; W249-F253 HydrophobicContact CD2-CD2 3.67Å; W249-F253 AromaticContact CD2-CE2 3.9Å; W249-F253 HydrophobicContact CD2-CE2 3.9Å; W249-F253 AromaticContact CE2-CD2 3.5Å; W249-F253 VanDerWaalsContact CE2-CD2 3.5Å; W249-F253 AromaticContact CE2-CE2 3.84Å; W249-F253 HydrophobicContact CE3-CD2 4.41Å; W249-F253 HydrophobicContact CE3-CE2 4.19Å; W249-F253 AromaticContact CG-CD2 3.69Å; W249-F253 HydrophobicContact CG-CD2 3.69Å; W249-F253 HydrophobicContact CG-CE2 4.33Å; W249-F253 HydrophobicContact CH2-CE2 4.38Å; W249-F253 HydrophobicContact CZ2-CD2 4.11Å; W249-F253 HydrophobicContact CZ2-CE2 4.09Å; W249-F253 HydrophobicContact CZ3-CE2 4.43Å; W249-F253 AromaticContact NE1-CD2 3.41Å; W249-F253 WeakPolarHBondContact O-CB 3.4Å; W249-F253 PolarHBondContact O-N 3.33Å; W249-L331 HydrophobicContact CZ2-CB 4.1Å; W249-L331 PolarHBondContact NE1-O 3.12Å; W249-M332 HydrophobicContact CH2-CG 3.69Å; W249-M332 HydrophobicContact CH2-SD 4.11Å; W249-M332 HydrophobicContact CZ2-CG 3.52Å
250	M	93.5	Very high	89.5	Confident	82 Å²	82	57.4 Å²	57.4	40%	0.404	31%	0.309	S	S	.	.	H	α-helix	trans	-63.7	-32.6	179.6	-69.9	178.5	65.6	0	0	113.1	L237 P239 T246 Q247	L237-M250 HydrophobicContact CB-CG 4.49Å; L237-M250 HydrophobicContact CB-SD 4.41Å; L237-M250 HydrophobicContact CD1-CG 4.15Å; P239-M250 HydrophobicContact CB-CE 4.12Å; P239-M250 HydrophobicContact CB-SD 4.22Å; T246-M250 HydrophobicContact CG2-SD 4.23Å; T246-M250 WeakPolarHBondContact O-CG 3.32Å; T246-M250 PolarHBondContact O-N 3.31Å; Q247-M250 PolarHBondContact O-N 3.16Å
251	K	93.1	Very high	90.1	Very high	124 Å²	124	54.3 Å²	54.3	54%	0.539	29%	0.292	S	S	.	.	H	α-helix	trans	-75.3	-35.3	177.7	176.9	178.2	165.2	-171.1	0	112.9	Q247 W248 W249 E463	Q247-K251 VanDerWaalsContact O-CB 3.29Å; Q247-K251 WeakPolarHBondContact O-CB 3.25Å; Q247-K251 PolarHBondContact O-N 2.97Å; W248-K251 PolarHBondContact O-N 3.02Å; W249-K251 VanDerWaalsContact C-N 3.29Å; W249-K251 PolarHBondContact O-N 2.62Å; K251-E463 VanDerWaalsContact NZ-CD 3.28Å; K251-E463 IonicContact NZ-OE1 2.66Å; K251-E463 PolarHBondContact NZ-OE1 3.03Å; K251-E463 IonicContact NZ-OE2 3.74Å; K251-E463 PolarHBondContact NZ-OE2 2.92Å
252	N	95.3	Very high	91	Very high	19 Å²	19	54.6 Å²	54.6	10%	0.102	29%	0.292	C	S	.	.	H	α-helix	trans	-105.4	-19.3	-168.8	-68.9	-80.2	0	0	0	114.3	W248 W249 T335 F336 M467	W248-N252 VanDerWaalsContact CE2-ND2 3.34Å; W248-N252 HydrophobicContact CE3-CB 4.38Å; W248-N252 HydrophobicContact CH2-CB 4.06Å; W248-N252 HydrophobicContact CZ2-CB 4.24Å; W248-N252 HydrophobicContact CZ3-CB 4.15Å; W248-N252 PolarHBondContact NE1-ND2 2.98Å; W248-N252 WeakPolarHBondContact O-CB 3.47Å; W248-N252 PolarHBondContact O-N 3.25Å; W248-N252 VanDerWaalsContact O-N 3.08Å; W248-N252 PolarHBondContact O-ND2 2.99Å; W249-N252 PolarHBondContact O-N 2.84Å; N252-T335 VanDerWaalsContact C-OG1 3.23Å; N252-T335 PolarHBondContact O-N 3.26Å; N252-T335 PolarHBondContact O-OG1 2.8Å; N252-F336 HydrophobicContact CB-CD1 4.1Å; N252-F336 HydrophobicContact CB-CE1 3.98Å; N252-F336 VanDerWaalsContact O-CD1 3.32Å; N252-F336 WeakPolarHBondContact O-CD1 3.45Å; N252-F336 WeakPolarHBondContact O-CE1 3.44Å; N252-M467 VanDerWaalsContact OD1-CE 3.28Å; N252-M467 WeakPolarHBondContact OD1-CE 3.34Å
253	F	97.7	Very high	92.4	Very high	1 Å²	1	59.2 Å²	59.2	0%	0.004	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-113	153	176.8	-63.1	-58.9	0	0	0	112.4	F214 W248 W249 M332 R333 F336 V470 F474	F214-F253 HydrophobicContact CZ-CE2 4.4Å; W248-F253 HydrophobicContact CZ3-CD2 4.43Å; W248-F253 AromaticContact CZ3-CE2 3.75Å; W248-F253 HydrophobicContact CZ3-CE2 3.75Å; W248-F253 HydrophobicContact CZ3-CZ 4.2Å; W249-F253 HydrophobicContact CB-CD2 4.48Å; W249-F253 AromaticContact CD1-CD2 3.56Å; W249-F253 AromaticContact CD2-CD2 3.67Å; W249-F253 HydrophobicContact CD2-CD2 3.67Å; W249-F253 AromaticContact CD2-CE2 3.9Å; W249-F253 HydrophobicContact CD2-CE2 3.9Å; W249-F253 AromaticContact CE2-CD2 3.5Å; W249-F253 VanDerWaalsContact CE2-CD2 3.5Å; W249-F253 AromaticContact CE2-CE2 3.84Å; W249-F253 HydrophobicContact CE3-CD2 4.41Å; W249-F253 HydrophobicContact CE3-CE2 4.19Å; W249-F253 AromaticContact CG-CD2 3.69Å; W249-F253 HydrophobicContact CG-CD2 3.69Å; W249-F253 HydrophobicContact CG-CE2 4.33Å; W249-F253 HydrophobicContact CH2-CE2 4.38Å; W249-F253 HydrophobicContact CZ2-CD2 4.11Å; W249-F253 HydrophobicContact CZ2-CE2 4.09Å; W249-F253 HydrophobicContact CZ3-CE2 4.43Å; W249-F253 AromaticContact NE1-CD2 3.41Å; W249-F253 WeakPolarHBondContact O-CB 3.4Å; W249-F253 PolarHBondContact O-N 3.33Å; F253-M332 HydrophobicContact CD1-CB 4.44Å; F253-M332 HydrophobicContact CE1-CB 4.03Å; F253-M332 HydrophobicContact CE2-CG 4.46Å; F253-M332 HydrophobicContact CZ-CB 4.13Å; F253-M332 HydrophobicContact CZ-CE 3.91Å; F253-M332 HydrophobicContact CZ-CG 4.28Å; F253-R333 CarbonylContact C-O 3.19Å; F253-R333 VanDerWaalsContact CA-O 3.29Å; F253-R333 WeakPolarHBondContact CA-O 3.33Å; F253-R333 WeakPolarHBondContact CD1-O 3.34Å; F253-F336 HydrophobicContact CD1-CE1 4.34Å; F253-F336 HydrophobicContact CE1-CE1 4Å; F253-F336 HydrophobicContact CE1-CZ 4.14Å; F253-V470 HydrophobicContact CE1-CG1 4.38Å; F253-V470 HydrophobicContact CZ-CG1 3.89Å; F253-V470 HydrophobicContact CZ-CG2 4.39Å; F253-F474 HydrophobicContact CE1-CE2 4.16Å; F253-F474 AromaticContact CE1-CZ 3.94Å; F253-F474 HydrophobicContact CE1-CZ 3.94Å; F253-F474 HydrophobicContact CZ-CZ 4.42Å
254	V	98	Very high	93.8	Very high	44 Å²	44	51.3 Å²	51.3	27%	0.267	27%	0.27	S	S	.	.			trans	-58	134.7	176.3	174.8	0	0	0	0	109.2	R333 T335	V254-R333 HydrophobicContact CB-CB 4.02Å; V254-R333 HydrophobicContact CG2-CB 3.94Å; V254-R333 PolarHBondContact N-O 2.74Å; V254-T335 HydrophobicContact CG2-CG2 4.01Å
255	P	97.3	Very high	94.5	Very high	83 Å²	83	50.6 Å²	50.6	54%	0.539	26%	0.258	S	S	.	.			trans	-49.2	141.9	178.8	-30.7	36	0	0	0	113.2	S257	P255-S257 WeakPolarHBondContact CB-O 3.49Å; P255-S257 PolarHBondContact O-N 2.87Å
256	L	97.9	Very high	94.6	Very high	13 Å²	13	56.4 Å²	56.4	7%	0.068	29%	0.286	C	S	.	.	S	Bend	trans	-63	-32.8	-178.1	-59.4	-165.7	0	0	0	112.3	Q193 L221 L235 L237 L331	Q193-L256 VanDerWaalsContact CB-O 3.23Å; Q193-L256 WeakPolarHBondContact CB-O 3.38Å; Q193-L256 WeakPolarHBondContact CG-O 3.2Å; Q193-L256 PolarHBondContact NE2-O 3.01Å; L221-L256 HydrophobicContact CD1-CD1 4.49Å; L235-L256 HydrophobicContact CD2-CD1 3.8Å; L235-L256 HydrophobicContact CG-CD1 3.86Å; L237-L256 HydrophobicContact CD1-CD1 4.03Å; L237-L256 HydrophobicContact CD1-CG 4.23Å; L237-L256 HydrophobicContact CG-CD1 3.74Å; L237-L256 HydrophobicContact CG-CG 4.41Å; L256-L331 HydrophobicContact CD1-CD2 4.26Å; L256-L331 HydrophobicContact CD2-CD2 3.61Å
257	S	98	Very high	94.5	Very high	11 Å²	11	58.8 Å²	58.8	8%	0.077	30%	0.302	C	S	.	.			trans	-127.7	144.8	171	-176.7	0	0	0	0	108.8	Q193 N194 P255 K259 C260	Q193-S257 WeakPolarHBondContact O-CB 3.06Å; Q193-S257 PolarHBondContact O-OG 3.47Å; N194-S257 PolarHBondContact OD1-OG 3.21Å; P255-S257 WeakPolarHBondContact CB-O 3.49Å; P255-S257 PolarHBondContact O-N 2.87Å; S257-K259 PolarHBondContact OG-N 2.91Å; S257-C260 PolarHBondContact OG-N 3Å
258	Q	96.2	Very high	94.5	Very high	137 Å²	137	61.5 Å²	61.5	64%	0.64	32%	0.319	S	S	*	.	S	Bend	trans	-87.8	-15.6	172.5	-65.9	-178.8	-18.5	0	0	112.3	F190 N194	F190-Q258 HydrophobicContact CE2-CG 4.38Å; N194-Q258 WeakPolarHBondContact OD1-CB 3.46Å; N194-Q258 PolarHBondContact OD1-N 3.35Å
259	K	94.4	Very high	94.5	Very high	136 Å²	136	64.1 Å²	64.1	59%	0.591	33%	0.333	S	S	*	.	S	Bend	trans	-116.9	-38.7	-171.3	-64.2	-178	-177.8	175.4	0	113.4	N194 S257	N194-K259 HydrophobicContact CB-CD 4.35Å; N194-K259 PolarHBondContact OD1-N 3.02Å; S257-K259 PolarHBondContact OG-N 2.91Å
260	C	97.3	Very high	94.3	Very high	11 Å²	11	67 Å²	67	7%	0.074	35%	0.347	C	S	.	.			trans	-104.3	145.5	-170.2	-51.2	0	0	0	0	111.6	C198 Y203 I236 S257	C198-C260 HydrophobicContact CB-CB 3.77Å; C198-C260 WeakPolarHBondContact CB-SG 3.41Å; C198-C260 WeakPolarHBondContact SG-CA 3.36Å; C198-C260 WeakPolarHBondContact SG-CB 3.31Å; C198-C260 CovalentContact SG-SG 2.05Å; C198-C260 PolarHBondContact SG-SG 3.44Å; Y203-C260 HydrophobicContact CE1-CB 4.14Å; I236-C260 HydrophobicContact CD1-CB 4.33Å; S257-C260 PolarHBondContact OG-N 3Å
261	S	95	Very high	93.8	Very high	47 Å²	47	67 Å²	67	33%	0.329	36%	0.355	S	S	.	.			trans	-133.8	171.3	179.9	70.4	0	0	0	0	110.2	N263 D264	S261-N263 PolarHBondContact O-N 2.88Å; S261-N263 PolarHBondContact OG-N 3.05Å; S261-D264 PolarHBondContact N-OD2 2.6Å; S261-D264 WeakPolarHBondContact O-CB 3.43Å; S261-D264 PolarHBondContact O-N 3.17Å; S261-D264 VanDerWaalsContact O-N 3.12Å; S261-D264 PolarHBondContact OG-OD2 3.43Å
262	I	93.8	Very high	92.6	Very high	31 Å²	31	65.4 Å²	65.4	16%	0.159	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-59.7	-26.4	174.2	-161.7	166.5	0	0	0	112.5	I236 D238 P239 D264 I265 I269	I236-I262 HydrophobicContact CG2-CB 4.14Å; D238-I262 HydrophobicContact CB-CD1 4.16Å; D238-I262 WeakPolarHBondContact OD1-CD1 3.25Å; P239-I262 HydrophobicContact CG-CG2 3.78Å; I262-D264 PolarHBondContact O-N 3.33Å; I262-I265 HydrophobicContact CG1-CD1 4.12Å; I262-I265 WeakPolarHBondContact O-CB 3.35Å; I262-I265 PolarHBondContact O-N 3.37Å; I262-I269 HydrophobicContact CD1-CD1 4.2Å
263	N	93.9	Very high	91.1	Very high	146 Å²	146	65 Å²	65	78%	0.781	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-71	-15.2	179.5	-62.3	-30.5	0	0	0	113.3	S261 I265	S261-N263 PolarHBondContact O-N 2.88Å; S261-N263 PolarHBondContact OG-N 3.05Å; N263-I265 VanDerWaalsContact C-N 3.28Å
264	D	95.6	Very high	89.3	Confident	39 Å²	39	69.9 Å²	69.9	21%	0.209	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-80.5	-11.4	176.7	-63.9	-75.6	0	0	0	112.8	C198 S261 I262 Q266	C198-D264 HydrophobicContact CB-CB 3.67Å; S261-D264 PolarHBondContact N-OD2 2.6Å; S261-D264 WeakPolarHBondContact O-CB 3.43Å; S261-D264 PolarHBondContact O-N 3.17Å; S261-D264 VanDerWaalsContact O-N 3.12Å; S261-D264 PolarHBondContact OG-OD2 3.43Å; I262-D264 PolarHBondContact O-N 3.33Å; D264-Q266 PolarHBondContact O-N 3.3Å
265	I	94.6	Very high	87.2	Confident	23 Å²	23	69.1 Å²	69.1	12%	0.118	38%	0.382	C	S	.	.			trans	-76.2	118.3	176.7	-60.1	174.5	0	0	0	108.6	Y203 V205 I262 N263 S267 A284	Y203-I265 HydrophobicContact CD2-CD1 4.29Å; Y203-I265 HydrophobicContact CD2-CG1 3.67Å; Y203-I265 HydrophobicContact CE2-CG1 3.97Å; Y203-I265 HydrophobicContact CG-CD1 4.16Å; Y203-I265 HydrophobicContact CG-CG1 4.01Å; V205-I265 HydrophobicContact CG2-CD1 3.72Å; I262-I265 HydrophobicContact CG1-CD1 4.12Å; I262-I265 WeakPolarHBondContact O-CB 3.35Å; I262-I265 PolarHBondContact O-N 3.37Å; N263-I265 VanDerWaalsContact C-N 3.28Å; I265-S267 VanDerWaalsContact CG2-O 3.29Å; I265-S267 WeakPolarHBondContact CG2-O 3.46Å; I265-A284 HydrophobicContact CD1-CB 3.94Å; I265-A284 HydrophobicContact CG1-CB 4.35Å; I265-A284 HydrophobicContact CG2-CB 3.55Å
266	Q	90.5	Very high	85.6	Confident	150 Å²	150	65.9 Å²	65.9	70%	0.701	36%	0.364	S	S	*	.			trans	-95.9	-4.6	-174	-61	-171.2	-46.2	0	0	113.7	D264	D264-Q266 PolarHBondContact O-N 3.3Å
267	S	88.5	Confident	84.1	Confident	50 Å²	50	73.1 Å²	73.1	35%	0.35	40%	0.397	S	S	.	.	S	Bend	trans	-128.9	172.2	-176.7	58.2	0	0	0	0	111.3	I265 Q283	I265-S267 VanDerWaalsContact CG2-O 3.29Å; I265-S267 WeakPolarHBondContact CG2-O 3.46Å; S267-Q283 WeakPolarHBondContact OG-CB 3.22Å; S267-Q283 PolarHBondContact OG-OE1 2.73Å
268	N	89.6	Confident	82.5	Confident	132 Å²	132	75 Å²	75	71%	0.706	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-63.9	146	176.6	-65.9	-26.3	0	0	0	110.9	H270	N268-H270 PolarHBondContact O-CD2 3.39Å; N268-H270 PolarHBondContact O-N 3.23Å
269	I	91.2	Very high	81.2	Confident	63 Å²	63	68.6 Å²	68.6	32%	0.323	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	117.2	171.2	-57.1	169.5	0	0	0	107.3	V205 I262 A284 E286	V205-I269 HydrophobicContact CB-CG2 4.23Å; V205-I269 HydrophobicContact CG1-CD1 4.3Å; V205-I269 HydrophobicContact CG2-CD1 4.14Å; V205-I269 HydrophobicContact CG2-CG1 4.34Å; V205-I269 HydrophobicContact CG2-CG2 4.16Å; I262-I269 HydrophobicContact CD1-CD1 4.2Å; I269-A284 HydrophobicContact CG1-CB 4.18Å; I269-E286 HydrophobicContact CG2-CB 4.03Å
270	H	89	Confident	80.3	Confident	65 Å²	65	65.8 Å²	65.8	30%	0.301	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	124.6	-177.5	-71.7	-96.3	0	0	0	111.3	N268 Y282 A284 I285 E286	N268-H270 PolarHBondContact O-CD2 3.39Å; N268-H270 PolarHBondContact O-N 3.23Å; H270-Y282 HydrophobicContact CB-CD2 3.65Å; H270-Y282 HydrophobicContact CB-CE2 4Å; H270-Y282 HydrophobicContact CB-CG 3.98Å; H270-Y282 AromaticContact CD2-CD1 3.59Å; H270-Y282 AromaticContact CD2-CG 3.6Å; H270-Y282 AromaticContact CE1-CD1 3.7Å; H270-Y282 AromaticContact CE1-CE1 3.6Å; H270-Y282 AromaticContact CG-CD1 3.78Å; H270-Y282 AromaticContact CG-CD2 3.75Å; H270-Y282 AromaticContact CG-CG 3.65Å; H270-Y282 AromaticContact ND1-CD1 3.85Å; H270-Y282 AromaticContact ND1-CE1 3.68Å; H270-Y282 AromaticContact ND1-CZ 3.77Å; H270-Y282 AromaticContact NE2-CD1 3.54Å; H270-Y282 AromaticContact NE2-CE1 3.93Å; H270-A284 PolarHBondContact N-O 2.73Å; H270-A284 VanDerWaalsContact N-O 3.08Å; H270-I285 HydrophobicContact CB-CG2 4.48Å; H270-I285 CarbonylContact O-C 3.56Å; H270-I285 VanDerWaalsContact O-CA 3.3Å; H270-I285 WeakPolarHBondContact O-CA 3.32Å; H270-E286 PolarHBondContact O-N 3.48Å
271	S	82.3	Confident	79.6	Confident	82 Å²	82	70.4 Å²	70.4	57%	0.573	40%	0.403	S	S	*	.			trans	-96.6	-13	178	58.7	0	0	0	0	114.2	F273 E286	S271-F273 PolarHBondContact O-N 2.94Å; S271-F273 VanDerWaalsContact O-N 3.09Å; S271-E286 WeakPolarHBondContact CB-OE2 3.27Å
272	D	69.2	Low	79.3	Confident	90 Å²	90	71 Å²	71	48%	0.481	40%	0.399	S	S	.	.			trans	-80.3	93.8	-179.6	-172.9	6.5	0	0	0	111.7	S274	D272-S274 VanDerWaalsContact OD1-CB 3.3Å; D272-S274 WeakPolarHBondContact OD1-CB 3.14Å; D272-S274 PolarHBondContact OD1-N 3.37Å; D272-S274 PolarHBondContact OD1-OG 3.24Å
273	F	64.2	Low	79.2	Confident	11 Å²	11	71 Å²	71	5%	0.048	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-87.8	-2.9	176.5	-145.5	-109.9	0	0	0	113.6	M227 S271 A275 G276 I285 P288 V293 F297 W299	M227-F273 HydrophobicContact CE-CD1 4.08Å; M227-F273 HydrophobicContact CE-CD2 4.35Å; M227-F273 HydrophobicContact CE-CE1 3.44Å; M227-F273 VanDerWaalsContact CE-CE1 3.44Å; M227-F273 HydrophobicContact CE-CE2 3.81Å; M227-F273 HydrophobicContact CE-CG 4.49Å; M227-F273 HydrophobicContact CE-CZ 3.32Å; M227-F273 HydrophobicContact SD-CE2 4.4Å; M227-F273 HydrophobicContact SD-CZ 4.28Å; S271-F273 PolarHBondContact O-N 2.94Å; S271-F273 VanDerWaalsContact O-N 3.09Å; F273-A275 PolarHBondContact O-N 2.8Å; F273-G276 PolarHBondContact O-N 3.27Å; F273-I285 HydrophobicContact CD2-CD1 4.36Å; F273-I285 HydrophobicContact CE2-CD1 3.61Å; F273-P288 HydrophobicContact CB-CG 4.37Å; F273-P288 HydrophobicContact CD1-CG 4.38Å; F273-P288 HydrophobicContact CG-CG 4.31Å; F273-V293 HydrophobicContact CD1-CG1 4.44Å; F273-V293 HydrophobicContact CE1-CG1 4.12Å; F273-F297 HydrophobicContact CD1-CD2 4.46Å; F273-F297 AromaticContact CD1-CE2 3.79Å; F273-F297 HydrophobicContact CD1-CE2 3.79Å; F273-F297 AromaticContact CE1-CD2 3.72Å; F273-F297 HydrophobicContact CE1-CD2 3.72Å; F273-F297 AromaticContact CE1-CE2 3.13Å; F273-F297 HydrophobicContact CE1-CE2 3.13Å; F273-F297 AromaticContact CE1-CZ 3.76Å; F273-F297 HydrophobicContact CE1-CZ 3.76Å; F273-F297 AromaticContact CZ-CE2 3.86Å; F273-F297 HydrophobicContact CZ-CE2 3.86Å; F273-F297 HydrophobicContact CZ-CZ 4.02Å; F273-W299 HydrophobicContact CE1-CZ2 4.49Å
274	S	59.2	Low	79.2	Confident	103 Å²	103	64.1 Å²	64.1	72%	0.72	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-66.6	-14.4	173.3	74.8	0	0	0	0	112.4	D272 G276	D272-S274 VanDerWaalsContact OD1-CB 3.3Å; D272-S274 WeakPolarHBondContact OD1-CB 3.14Å; D272-S274 PolarHBondContact OD1-N 3.37Å; D272-S274 PolarHBondContact OD1-OG 3.24Å; S274-G276 PolarHBondContact O-N 2.91Å; S274-G276 VanDerWaalsContact O-N 3.1Å
275	A	53.2	Low	79.1	Confident	29 Å²	29	62.3 Å²	62.3	24%	0.24	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-64.6	-7.8	177.3	0	0	0	0	0	114.7	F273 E277 A278	F273-A275 PolarHBondContact O-N 2.8Å; A275-E277 PolarHBondContact O-N 3.23Å; A275-A278 HydrophobicContact CB-CB 4.12Å; A275-A278 VanDerWaalsContact O-CB 3.27Å; A275-A278 WeakPolarHBondContact O-CB 3.46Å; A275-A278 PolarHBondContact O-N 3.35Å
276	G	65.2	Low	79	Confident	15 Å²	15	65.5 Å²	65.5	16%	0.155	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	54.7	-123.2	176.1	0	0	0	0	0	112	F273 S274 A278 S279	F273-G276 PolarHBondContact O-N 3.27Å; S274-G276 PolarHBondContact O-N 2.91Å; S274-G276 VanDerWaalsContact O-N 3.1Å; G276-A278 PolarHBondContact O-N 3.05Å; G276-S279 WeakPolarHBondContact O-CB 3.07Å; G276-S279 PolarHBondContact O-N 2.96Å; G276-S279 PolarHBondContact O-OG 2.96Å
277	E	64.9	Low	79.2	Confident	165 Å²	165	58.6 Å²	58.6	77%	0.771	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-63.9	-23.8	176.9	-66.8	-172.5	167.7	0	0	114.2	A275 S279 N280	A275-E277 PolarHBondContact O-N 3.23Å; E277-S279 PolarHBondContact O-N 3.38Å; E277-N280 WeakPolarHBondContact O-CB 3.2Å; E277-N280 PolarHBondContact O-N 3.43Å; E277-N280 PolarHBondContact O-ND2 3.44Å
278	A	64.5	Low	79.3	Confident	50 Å²	50	57.3 Å²	57.3	41%	0.413	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-66.2	-23.1	178.3	0	0	0	0	0	112.2	A275 G276 N280 T281	A275-A278 HydrophobicContact CB-CB 4.12Å; A275-A278 VanDerWaalsContact O-CB 3.27Å; A275-A278 WeakPolarHBondContact O-CB 3.46Å; A275-A278 PolarHBondContact O-N 3.35Å; G276-A278 PolarHBondContact O-N 3.05Å; A278-N280 PolarHBondContact O-N 3.48Å; A278-N280 VanDerWaalsContact O-N 3.12Å; A278-T281 PolarHBondContact O-N 3.37Å; A278-T281 PolarHBondContact O-OG1 2.87Å
279	S	69.9	Low	79.3	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.021	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-58.9	-21.5	171.3	71.1	0	0	0	0	113.1	R233 G276 E277 T281 Y282	R233-S279 PolarHBondContact NH2-O 3.15Å; G276-S279 WeakPolarHBondContact O-CB 3.07Å; G276-S279 PolarHBondContact O-N 2.96Å; G276-S279 PolarHBondContact O-OG 2.96Å; E277-S279 PolarHBondContact O-N 3.38Å; S279-T281 PolarHBondContact O-N 3.41Å; S279-Y282 PolarHBondContact O-N 3.13Å
280	N	75	Confident	79.3	Confident	76 Å²	76	55.2 Å²	55.2	41%	0.406	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-64.5	-19.6	175.9	-68.4	-34.2	0	0	0	113	K202 E277 A278	K202-N280 PolarHBondContact NZ-O 3.03Å; E277-N280 WeakPolarHBondContact O-CB 3.2Å; E277-N280 PolarHBondContact O-N 3.43Å; E277-N280 PolarHBondContact O-ND2 3.44Å; A278-N280 PolarHBondContact O-N 3.48Å; A278-N280 VanDerWaalsContact O-N 3.12Å
281	T	81.6	Confident	79.1	Confident	109 Å²	109	57.9 Å²	57.9	67%	0.669	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-80.2	-26	178.5	64.2	0	0	0	0	113	A278 S279	A278-T281 PolarHBondContact O-N 3.37Å; A278-T281 PolarHBondContact O-OG1 2.87Å; S279-T281 PolarHBondContact O-N 3.41Å
282	Y	89.3	Confident	79.3	Confident	59 Å²	59	57 Å²	57	23%	0.231	32%	0.318	C	S	.	.			trans	-72.8	136.3	-177.5	-54.6	-40	0	0	0	111.7	R233 H270 S279 I285	R233-Y282 PolarHBondContact NH1-O 3.41Å; R233-Y282 PolarHBondContact NH2-O 2.66Å; H270-Y282 HydrophobicContact CB-CD2 3.65Å; H270-Y282 HydrophobicContact CB-CE2 4Å; H270-Y282 HydrophobicContact CB-CG 3.98Å; H270-Y282 AromaticContact CD2-CD1 3.59Å; H270-Y282 AromaticContact CD2-CG 3.6Å; H270-Y282 AromaticContact CE1-CD1 3.7Å; H270-Y282 AromaticContact CE1-CE1 3.6Å; H270-Y282 AromaticContact CG-CD1 3.78Å; H270-Y282 AromaticContact CG-CD2 3.75Å; H270-Y282 AromaticContact CG-CG 3.65Å; H270-Y282 AromaticContact ND1-CD1 3.85Å; H270-Y282 AromaticContact ND1-CE1 3.68Å; H270-Y282 AromaticContact ND1-CZ 3.77Å; H270-Y282 AromaticContact NE2-CD1 3.54Å; H270-Y282 AromaticContact NE2-CE1 3.93Å; S279-Y282 PolarHBondContact O-N 3.13Å; Y282-I285 HydrophobicContact CD2-CG2 3.94Å; Y282-I285 HydrophobicContact CG-CG2 4.42Å
283	Q	92.5	Very high	80	Confident	32 Å²	32	53.2 Å²	53.2	15%	0.15	30%	0.299	C	S	.	.	S	Bend	trans	-64.7	-49.8	172.7	-169.7	-170.1	20.4	0	0	110	T199 A201 K202 Y203 R233 S267	T199-Q283 PolarHBondContact O-NE2 2.94Å; A201-Q283 WeakPolarHBondContact O-CG 3.35Å; K202-Q283 CarbonylContact C-O 3.59Å; K202-Q283 WeakPolarHBondContact CA-O 3.43Å; Y203-Q283 HydrophobicContact CD2-CG 4.47Å; Y203-Q283 PolarHBondContact N-O 3.28Å; R233-Q283 PolarHBondContact NH1-O 2.77Å; S267-Q283 WeakPolarHBondContact OG-CB 3.22Å; S267-Q283 PolarHBondContact OG-OE1 2.73Å
284	A	94.3	Very high	80.9	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136.3	-179.5	0	0	0	0	0	111.6	V205 I265 I269 H270	V205-A284 HydrophobicContact CG2-CB 4.43Å; I265-A284 HydrophobicContact CD1-CB 3.94Å; I265-A284 HydrophobicContact CG1-CB 4.35Å; I265-A284 HydrophobicContact CG2-CB 3.55Å; I269-A284 HydrophobicContact CG1-CB 4.18Å; H270-A284 PolarHBondContact N-O 2.73Å; H270-A284 VanDerWaalsContact N-O 3.08Å
285	I	92.7	Very high	81.9	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	141.2	174.7	54.7	169.3	0	0	0	109.7	Y203 V204 V205 M227 H270 F273 Y282	Y203-I285 WeakPolarHBondContact O-CG1 3.27Å; Y203-I285 PolarHBondContact O-N 3.47Å; Y203-I285 VanDerWaalsContact O-N 3.07Å; V204-I285 CarbonylContact C-O 3.47Å; V204-I285 WeakPolarHBondContact CA-O 3.37Å; V204-I285 HydrophobicContact CG2-CD1 3.99Å; V204-I285 HydrophobicContact CG2-CG1 4.04Å; V205-I285 PolarHBondContact N-O 3.14Å; M227-I285 HydrophobicContact SD-CD1 4.25Å; H270-I285 HydrophobicContact CB-CG2 4.48Å; H270-I285 CarbonylContact O-C 3.56Å; H270-I285 VanDerWaalsContact O-CA 3.3Å; H270-I285 WeakPolarHBondContact O-CA 3.32Å; F273-I285 HydrophobicContact CD2-CD1 4.36Å; F273-I285 HydrophobicContact CE2-CD1 3.61Å; Y282-I285 HydrophobicContact CD2-CG2 3.94Å; Y282-I285 HydrophobicContact CG-CG2 4.42Å
286	E	93.1	Very high	83.3	Confident	89 Å²	89	57.6 Å²	57.6	42%	0.416	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	134.5	170.1	-169.9	-178.9	177.1	0	0	109.2	I269 H270 S271 P288	I269-E286 HydrophobicContact CG2-CB 4.03Å; H270-E286 PolarHBondContact O-N 3.48Å; S271-E286 WeakPolarHBondContact CB-OE2 3.27Å; E286-P288 VanDerWaalsContact O-CD 3.24Å; E286-P288 WeakPolarHBondContact O-CD 3.46Å
287	C	93.4	Very high	84.3	Confident	6 Å²	6	58.3 Å²	58.3	4%	0.041	33%	0.328	C	S	.	.			trans	-73.2	113.7	176.1	-180	0	0	0	0	110	V204 V205 A206 C224	V204-C287 HydrophobicContact CG1-CB 3.71Å; V205-C287 WeakPolarHBondContact O-CB 3.24Å; V205-C287 PolarHBondContact O-N 3.2Å; A206-C287 HydrophobicContact CB-CB 4.27Å; C224-C287 WeakPolarHBondContact CA-SG 3.44Å; C224-C287 HydrophobicContact CB-CB 3.77Å; C224-C287 WeakPolarHBondContact CB-SG 3.39Å; C224-C287 WeakPolarHBondContact SG-CB 3.44Å; C224-C287 CovalentContact SG-SG 2.02Å; C224-C287 PolarHBondContact SG-SG 3.27Å
288	P	91.2	Very high	85.6	Confident	22 Å²	22	55.7 Å²	55.7	14%	0.143	32%	0.319	C	S	.	.			trans	-74.3	173.7	179.6	34.3	-37.7	0	0	0	111.2	H220 H223 M227 F273 E286 A292 V293	H220-P288 PolarHBondContact CE1-O 3.41Å; H223-P288 PolarHBondContact CE1-O 3.32Å; M227-P288 HydrophobicContact CE-CG 3.93Å; F273-P288 HydrophobicContact CB-CG 4.37Å; F273-P288 HydrophobicContact CD1-CG 4.38Å; F273-P288 HydrophobicContact CG-CG 4.31Å; E286-P288 VanDerWaalsContact O-CD 3.24Å; E286-P288 WeakPolarHBondContact O-CD 3.46Å; P288-A292 HydrophobicContact CB-CB 4.25Å; P288-V293 HydrophobicContact CG-CG2 3.69Å
289	R	89.6	Confident	86.9	Confident	131 Å²	131	54.2 Å²	54.2	49%	0.494	30%	0.303	S	S	.	.			trans	-61.2	143	160.7	-41.6	-162.3	164.7	170.4	0.7	109.8	R210 D291 A292 V293	R210-R289 VanDerWaalsContact NH1-CG 3.3Å; R210-R289 VanDerWaalsContact NH2-CG 3.32Å; R289-D291 WeakPolarHBondContact CB-OD1 3.35Å; R289-D291 PolarHBondContact O-N 3.31Å; R289-A292 HydrophobicContact CB-CB 4.34Å; R289-A292 CarbonylContact O-C 3.55Å; R289-A292 WeakPolarHBondContact O-CA 3.35Å; R289-A292 WeakPolarHBondContact O-CB 3.41Å; R289-A292 PolarHBondContact O-N 3.06Å; R289-V293 PolarHBondContact O-N 2.89Å
290	I	90.3	Very high	88.1	Confident	20 Å²	20	54.4 Å²	54.4	10%	0.103	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-56.9	-35.1	-178	-172.3	173.1	0	0	0	112.3	A292 V293 I300 P301 F521 G522 G523	I290-A292 VanDerWaalsContact C-N 3.26Å; I290-A292 PolarHBondContact O-N 3.32Å; I290-V293 WeakPolarHBondContact O-CB 3.4Å; I290-V293 PolarHBondContact O-N 3.42Å; I290-I300 HydrophobicContact CD1-CG2 4.17Å; I290-I300 HydrophobicContact CG1-CG2 4.08Å; I290-P301 HydrophobicContact CD1-CB 4.14Å; I290-P301 HydrophobicContact CD1-CG 3.79Å; I290-F521 HydrophobicContact CD1-CD1 3.83Å; I290-F521 HydrophobicContact CD1-CE1 3.9Å; I290-G522 WeakPolarHBondContact CG2-O 3.35Å; I290-G523 WeakPolarHBondContact CD1-O 3.42Å; I290-G523 WeakPolarHBondContact CG1-O 3.44Å
291	D	84.8	Confident	89.1	Confident	122 Å²	122	50.8 Å²	50.8	65%	0.652	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-73	-15.8	175.3	58.1	-33.1	0	0	0	113.8	R289	R289-D291 WeakPolarHBondContact CB-OD1 3.35Å; R289-D291 PolarHBondContact O-N 3.31Å
292	A	86.7	Confident	89.8	Confident	63 Å²	63	46.4 Å²	46.4	52%	0.521	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-95.9	-3.4	172.5	0	0	0	0	0	112.8	P288 R289 I290	P288-A292 HydrophobicContact CB-CB 4.25Å; R289-A292 HydrophobicContact CB-CB 4.34Å; R289-A292 CarbonylContact O-C 3.55Å; R289-A292 WeakPolarHBondContact O-CA 3.35Å; R289-A292 WeakPolarHBondContact O-CB 3.41Å; R289-A292 PolarHBondContact O-N 3.06Å; I290-A292 VanDerWaalsContact C-N 3.26Å; I290-A292 PolarHBondContact O-N 3.32Å
293	V	85.3	Confident	90.1	Very high	11 Å²	11	43.6 Å²	43.6	7%	0.067	25%	0.246	C	C	.	.	S	Bend	trans	-71.5	133.5	171.8	-179.8	0	0	0	0	108.6	M227 F273 P288 R289 I290 S295 F297 W299 I300	M227-V293 HydrophobicContact CE-CG2 4.07Å; F273-V293 HydrophobicContact CD1-CG1 4.44Å; F273-V293 HydrophobicContact CE1-CG1 4.12Å; P288-V293 HydrophobicContact CG-CG2 3.69Å; R289-V293 PolarHBondContact O-N 2.89Å; I290-V293 WeakPolarHBondContact O-CB 3.4Å; I290-V293 PolarHBondContact O-N 3.42Å; V293-S295 PolarHBondContact O-N 3.39Å; V293-F297 HydrophobicContact CG1-CB 4.38Å; V293-F297 HydrophobicContact CG1-CD2 3.74Å; V293-F297 HydrophobicContact CG1-CG 4.47Å; V293-W299 HydrophobicContact CG1-CH2 3.88Å; V293-W299 HydrophobicContact CG1-CZ2 4.31Å; V293-I300 HydrophobicContact CB-CD1 4.17Å; V293-I300 HydrophobicContact CG1-CD1 3.72Å; V293-I300 HydrophobicContact CG1-CG1 3.91Å
294	S	81.6	Confident	90.4	Very high	43 Å²	43	42 Å²	42	30%	0.301	24%	0.239	S	C	.	.			trans	-54.2	130.2	176.4	178.2	0	0	0	0	110.9	S296 F297	S294-S296 PolarHBondContact O-N 3.32Å; S294-S296 PolarHBondContact OG-N 3.12Å; S294-S296 PolarHBondContact OG-OG 2.93Å; S294-F297 WeakPolarHBondContact O-CD2 3.49Å; S294-F297 PolarHBondContact O-N 2.98Å; S294-F297 VanDerWaalsContact O-N 3.09Å
295	S	81.2	Confident	90.5	Very high	117 Å²	117	42 Å²	42	82%	0.818	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-6	176.2	62.7	0	0	0	0	113.6	V293 F297	V293-S295 PolarHBondContact O-N 3.39Å; S295-F297 PolarHBondContact O-N 2.94Å
296	S	81.6	Confident	90.6	Very high	75 Å²	75	43.6 Å²	43.6	52%	0.524	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-11	171.5	65.5	0	0	0	0	113.6	S294	S294-S296 PolarHBondContact O-N 3.32Å; S294-S296 PolarHBondContact OG-N 3.12Å; S294-S296 PolarHBondContact OG-OG 2.93Å
297	F	88	Confident	90.5	Very high	29 Å²	29	39.8 Å²	39.8	13%	0.127	23%	0.232	C	C	.	.			trans	-92.1	111.3	179.2	-67.1	-62.2	0	0	0	111.5	F273 V293 S294 S295 W299 I300	F273-F297 HydrophobicContact CD1-CD2 4.46Å; F273-F297 AromaticContact CD1-CE2 3.79Å; F273-F297 HydrophobicContact CD1-CE2 3.79Å; F273-F297 AromaticContact CE1-CD2 3.72Å; F273-F297 HydrophobicContact CE1-CD2 3.72Å; F273-F297 AromaticContact CE1-CE2 3.13Å; F273-F297 HydrophobicContact CE1-CE2 3.13Å; F273-F297 AromaticContact CE1-CZ 3.76Å; F273-F297 HydrophobicContact CE1-CZ 3.76Å; F273-F297 AromaticContact CZ-CE2 3.86Å; F273-F297 HydrophobicContact CZ-CE2 3.86Å; F273-F297 HydrophobicContact CZ-CZ 4.02Å; V293-F297 HydrophobicContact CG1-CB 4.38Å; V293-F297 HydrophobicContact CG1-CD2 3.74Å; V293-F297 HydrophobicContact CG1-CG 4.47Å; S294-F297 WeakPolarHBondContact O-CD2 3.49Å; S294-F297 PolarHBondContact O-N 2.98Å; S294-F297 VanDerWaalsContact O-N 3.09Å; S295-F297 PolarHBondContact O-N 2.94Å; F297-W299 HydrophobicContact CB-CD2 4.31Å; F297-W299 HydrophobicContact CB-CZ2 3.87Å; F297-W299 HydrophobicContact CD1-CZ2 4.15Å; F297-W299 AromaticContact CD1-NE1 3.4Å; F297-W299 HydrophobicContact CD2-CZ2 4.14Å; F297-W299 AromaticContact CG-CE2 3.87Å; F297-W299 AromaticContact CG-CZ2 3.79Å; F297-W299 HydrophobicContact CG-CZ2 3.79Å; F297-W299 AromaticContact CG-NE1 3.7Å; F297-W299 PolarHBondContact O-N 2.97Å; F297-I300 HydrophobicContact CB-CD1 4.26Å; F297-I300 HydrophobicContact CB-CG1 4.22Å; F297-I300 WeakPolarHBondContact O-CD1 3.4Å; F297-I300 VanDerWaalsContact O-CG1 3.27Å; F297-I300 WeakPolarHBondContact O-CG1 3.2Å
298	D	90.9	Very high	90.5	Very high	110 Å²	110	39.8 Å²	39.8	59%	0.588	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-14.2	-177.8	-61.5	-28.9	0	0	0	113.7	I300 A303 Q525 A582	D298-I300 VanDerWaalsContact C-N 3.28Å; D298-I300 PolarHBondContact O-N 3.38Å; D298-A303 VanDerWaalsContact O-CB 3.27Å; D298-A303 WeakPolarHBondContact O-CB 3.39Å; D298-Q525 PolarHBondContact O-NE2 2.97Å; D298-A582 HydrophobicContact CB-CB 4.1Å; D298-A582 WeakPolarHBondContact O-CB 3.27Å
299	W	93.1	Very high	90.6	Very high	19 Å²	19	39.3 Å²	39.3	7%	0.072	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-0.7	-178.7	55.8	-105.6	0	0	0	113.9	Q226 M227 A230 F273 V293 F297 A582 M584	Q226-W299 PolarHBondContact NE2-O 3.28Å; M227-W299 HydrophobicContact CB-CH2 3.77Å; M227-W299 HydrophobicContact CB-CZ3 3.77Å; M227-W299 HydrophobicContact CE-CH2 3.56Å; M227-W299 HydrophobicContact CE-CZ2 4.19Å; M227-W299 HydrophobicContact CG-CH2 3.67Å; M227-W299 HydrophobicContact CG-CZ2 4.18Å; M227-W299 HydrophobicContact CG-CZ3 4.2Å; M227-W299 HydrophobicContact SD-CH2 4.48Å; A230-W299 HydrophobicContact CB-CB 3.82Å; A230-W299 HydrophobicContact CB-CD2 3.57Å; A230-W299 HydrophobicContact CB-CE3 4.04Å; A230-W299 HydrophobicContact CB-CG 3.44Å; A230-W299 VanDerWaalsContact CB-CG 3.44Å; F273-W299 HydrophobicContact CE1-CZ2 4.49Å; V293-W299 HydrophobicContact CG1-CH2 3.88Å; V293-W299 HydrophobicContact CG1-CZ2 4.31Å; F297-W299 HydrophobicContact CB-CD2 4.31Å; F297-W299 HydrophobicContact CB-CZ2 3.87Å; F297-W299 HydrophobicContact CD1-CZ2 4.15Å; F297-W299 AromaticContact CD1-NE1 3.4Å; F297-W299 HydrophobicContact CD2-CZ2 4.14Å; F297-W299 AromaticContact CG-CE2 3.87Å; F297-W299 AromaticContact CG-CZ2 3.79Å; F297-W299 HydrophobicContact CG-CZ2 3.79Å; F297-W299 AromaticContact CG-NE1 3.7Å; F297-W299 PolarHBondContact O-N 2.97Å; W299-A582 HydrophobicContact CB-CB 3.92Å; W299-M584 HydrophobicContact CB-CE 3.94Å; W299-M584 HydrophobicContact CB-CG 4.25Å
300	I	94.3	Very high	90.5	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.041	23%	0.228	C	C	.	.	S	Bend	trans	-59.8	143.3	177.4	-62.9	168.4	0	0	0	109.8	I290 V293 F297 D298 A303 Q525	I290-I300 HydrophobicContact CD1-CG2 4.17Å; I290-I300 HydrophobicContact CG1-CG2 4.08Å; V293-I300 HydrophobicContact CB-CD1 4.17Å; V293-I300 HydrophobicContact CG1-CD1 3.72Å; V293-I300 HydrophobicContact CG1-CG1 3.91Å; F297-I300 HydrophobicContact CB-CD1 4.26Å; F297-I300 HydrophobicContact CB-CG1 4.22Å; F297-I300 WeakPolarHBondContact O-CD1 3.4Å; F297-I300 VanDerWaalsContact O-CG1 3.27Å; F297-I300 WeakPolarHBondContact O-CG1 3.2Å; D298-I300 VanDerWaalsContact C-N 3.28Å; D298-I300 PolarHBondContact O-N 3.38Å; I300-A303 VanDerWaalsContact O-CB 3.24Å; I300-A303 WeakPolarHBondContact O-CB 3.45Å; I300-A303 PolarHBondContact O-N 3.45Å; I300-Q525 HydrophobicContact CB-CB 4.27Å; I300-Q525 HydrophobicContact CB-CG 4.35Å; I300-Q525 HydrophobicContact CG2-CB 4.08Å; I300-Q525 HydrophobicContact CG2-CG 4.42Å; I300-Q525 PolarHBondContact O-NE2 3.03Å
301	P	96.3	Very high	90.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.4	138.2	170.1	-35.1	38.7	0	0	0	113.3	I290 F320 F521 Q524 Q525	I290-P301 HydrophobicContact CD1-CB 4.14Å; I290-P301 HydrophobicContact CD1-CG 3.79Å; P301-F320 HydrophobicContact CB-CE1 4.29Å; P301-F320 HydrophobicContact CB-CE2 3.99Å; P301-F320 HydrophobicContact CB-CZ 3.53Å; P301-F320 HydrophobicContact CG-CE2 4.34Å; P301-F320 HydrophobicContact CG-CZ 4.04Å; P301-F521 HydrophobicContact CB-CB 3.95Å; P301-F521 HydrophobicContact CB-CD1 3.61Å; P301-F521 HydrophobicContact CB-CE1 4.28Å; P301-F521 HydrophobicContact CB-CG 3.82Å; P301-F521 HydrophobicContact CG-CD1 3.77Å; P301-F521 HydrophobicContact CG-CE1 3.92Å; P301-F521 HydrophobicContact CG-CG 4.3Å; P301-Q524 HydrophobicContact CB-CB 4.34Å; P301-Q524 CarbonylContact O-C 3.36Å; P301-Q524 VanDerWaalsContact O-CA 3.24Å; P301-Q524 WeakPolarHBondContact O-CA 3.38Å; P301-Q524 WeakPolarHBondContact O-CB 3.5Å; P301-Q525 WeakPolarHBondContact O-CG 3.35Å; P301-Q525 PolarHBondContact O-N 3.43Å
302	P	96	Very high	90.8	Very high	16 Å²	16	31.9 Å²	31.9	10%	0.104	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	cis	-96.6	41.9	6.8	39.9	-35.9	0	0	0	114	F320 L580	P302-F320 VanDerWaalsContact CA-CG 3.45Å; P302-F320 HydrophobicContact CB-CB 3.97Å; P302-F320 HydrophobicContact CB-CD1 3.36Å; P302-F320 HydrophobicContact CB-CD2 3.95Å; P302-F320 HydrophobicContact CB-CE1 3.83Å; P302-F320 HydrophobicContact CB-CE2 4.36Å; P302-F320 HydrophobicContact CB-CG 3.44Å; P302-F320 VanDerWaalsContact CB-CG 3.44Å; P302-F320 HydrophobicContact CB-CZ 4.32Å; P302-F320 WeakPolarHBondContact O-CB 3.43Å; P302-F320 WeakPolarHBondContact O-CD2 3.5Å; P302-F320 WeakPolarHBondContact O-CG 3.49Å; P302-L580 HydrophobicContact CG-CD1 4.25Å
303	A	96.4	Very high	90.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.179	C	C	.	.			trans	-71.1	142.3	176.1	0	0	0	0	0	112.9	Q226 D298 I300 F320 L580 A582 M584	Q226-A303 PolarHBondContact NE2-O 2.56Å; D298-A303 VanDerWaalsContact O-CB 3.27Å; D298-A303 WeakPolarHBondContact O-CB 3.39Å; I300-A303 VanDerWaalsContact O-CB 3.24Å; I300-A303 WeakPolarHBondContact O-CB 3.45Å; I300-A303 PolarHBondContact O-N 3.45Å; A303-F320 WeakPolarHBondContact O-CD2 3.49Å; A303-L580 WeakPolarHBondContact CA-O 3.07Å; A303-L580 HydrophobicContact CB-CB 4.35Å; A303-A582 HydrophobicContact CB-CB 4.26Å; A303-M584 HydrophobicContact CB-CE 4.31Å
304	V	97	Very high	91.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	147.8	175.1	177.6	0	0	0	0	109.9	S306 L308 L312 P319 F320 L579 L580 S581 A582	V304-S306 PolarHBondContact O-N 2.86Å; V304-L308 HydrophobicContact CG1-CB 4.41Å; V304-L312 HydrophobicContact CG1-CD1 3.68Å; V304-P319 HydrophobicContact CG2-CB 4.09Å; V304-F320 HydrophobicContact CG2-CB 3.88Å; V304-F320 HydrophobicContact CG2-CD2 4.45Å; V304-L579 HydrophobicContact CB-CD1 4.25Å; V304-L579 HydrophobicContact CG2-CD1 3.81Å; V304-L580 PolarHBondContact N-O 2.9Å; V304-S581 CarbonylContact O-C 3.58Å; V304-S581 WeakPolarHBondContact O-CA 3.35Å; V304-A582 PolarHBondContact O-N 3.3Å
305	P	96.9	Very high	91.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	127	173	-22.3	28.9	0	0	0	111.5	Y229 H307 L308 S309 F323 M584	Y229-P305 HydrophobicContact CD1-CG 4.36Å; Y229-P305 HydrophobicContact CE1-CB 4.2Å; Y229-P305 HydrophobicContact CE1-CG 3.73Å; P305-H307 WeakPolarHBondContact CB-CE1 3.33Å; P305-H307 PolarHBondContact O-N 3.41Å; P305-H307 VanDerWaalsContact O-N 3.16Å; P305-L308 HydrophobicContact CB-CB 4.46Å; P305-L308 HydrophobicContact CB-CD1 4.26Å; P305-L308 HydrophobicContact CB-CG 4.22Å; P305-L308 HydrophobicContact CG-CD1 4.06Å; P305-L308 PolarHBondContact O-N 3.01Å; P305-S309 PolarHBondContact O-N 3.19Å; P305-S309 VanDerWaalsContact O-N 3.12Å; P305-F323 HydrophobicContact CG-CD2 3.82Å; P305-F323 HydrophobicContact CG-CE1 4.2Å; P305-F323 HydrophobicContact CG-CE2 3.4Å; P305-F323 HydrophobicContact CG-CG 4.38Å; P305-F323 HydrophobicContact CG-CZ 3.61Å; P305-M584 HydrophobicContact CB-CB 4.28Å; P305-M584 HydrophobicContact CB-CG 4.42Å; P305-M584 HydrophobicContact CB-SD 4.13Å; P305-M584 HydrophobicContact CG-CE 4.38Å; P305-M584 HydrophobicContact CG-CG 4.5Å; P305-M584 HydrophobicContact CG-SD 3.6Å
306	S	94.7	Very high	92.3	Very high	34 Å²	34	23.3 Å²	23.3	24%	0.238	13%	0.127	C	C	.	.	H	α-helix	trans	-54.7	-38.4	-175.6	57.7	0	0	0	0	112.8	V304 L308 S309 A582	V304-S306 PolarHBondContact O-N 2.86Å; S306-L308 PolarHBondContact O-N 3.44Å; S306-S309 WeakPolarHBondContact O-CB 3.32Å; S306-S309 PolarHBondContact O-N 3.11Å; S306-S309 PolarHBondContact O-OG 2.86Å; S306-A582 PolarHBondContact N-O 3.16Å
307	H	92.4	Very high	92.9	Very high	9 Å²	9	21 Å²	21	4%	0.042	12%	0.115	C	C	.	.	H	α-helix	trans	-67.1	-21.6	178.6	69	-85.7	0	0	0	113.9	Y229 P305 R591 F594	Y229-H307 PolarHBondContact OH-CE1 3.45Å; P305-H307 WeakPolarHBondContact CB-CE1 3.33Å; P305-H307 PolarHBondContact O-N 3.41Å; P305-H307 VanDerWaalsContact O-N 3.16Å; H307-R591 PolarHBondContact CE1-NH2 2.97Å; H307-R591 PolarHBondContact NE2-NH2 2.97Å; H307-F594 WeakPolarHBondContact O-CB 3.42Å; H307-F594 PolarHBondContact O-N 2.87Å
308	L	93.4	Very high	93.2	Very high	6 Å²	6	20.6 Å²	20.6	3%	0.031	12%	0.117	C	C	.	.	H	α-helix	trans	-96.3	-13.8	174.8	-58.4	-178.3	0	0	0	113.3	L181 L185 V304 P305 S306 K310 I311 L312 W322	L181-L308 HydrophobicContact CD1-CD2 3.88Å; L185-L308 HydrophobicContact CD2-CD1 4.36Å; V304-L308 HydrophobicContact CG1-CB 4.41Å; P305-L308 HydrophobicContact CB-CB 4.46Å; P305-L308 HydrophobicContact CB-CD1 4.26Å; P305-L308 HydrophobicContact CB-CG 4.22Å; P305-L308 HydrophobicContact CG-CD1 4.06Å; P305-L308 PolarHBondContact O-N 3.01Å; S306-L308 PolarHBondContact O-N 3.44Å; L308-K310 PolarHBondContact O-N 3.45Å; L308-I311 WeakPolarHBondContact O-CG2 3.43Å; L308-I311 PolarHBondContact O-N 2.87Å; L308-L312 HydrophobicContact CB-CD1 3.75Å; L308-L312 HydrophobicContact CB-CG 4.2Å; L308-L312 HydrophobicContact CD1-CD1 4.4Å; L308-L312 WeakPolarHBondContact O-CB 3.45Å; L308-L312 WeakPolarHBondContact O-CG 3.48Å; L308-L312 PolarHBondContact O-N 2.99Å; L308-W322 HydrophobicContact CD1-CZ3 4.48Å
309	S	91.6	Very high	93.5	Very high	13 Å²	13	16.3 Å²	16.3	9%	0.091	10%	0.095	C	C	.	.	H	α-helix	trans	-56	-53.4	-167.5	64.5	0	0	0	0	113.8	P305 S306 I311 T313	P305-S309 PolarHBondContact O-N 3.19Å; P305-S309 VanDerWaalsContact O-N 3.12Å; S306-S309 WeakPolarHBondContact O-CB 3.32Å; S306-S309 PolarHBondContact O-N 3.11Å; S306-S309 PolarHBondContact O-OG 2.86Å; S309-I311 PolarHBondContact O-N 3.3Å; S309-T313 WeakPolarHBondContact O-CB 3.32Å; S309-T313 PolarHBondContact O-N 3.25Å; S309-T313 PolarHBondContact O-OG1 3.32Å
310	K	88.1	Confident	93.7	Very high	108 Å²	108	16 Å²	16	47%	0.47	9%	0.094	S	C	.	.	H	α-helix	trans	-62.5	-45.4	-179.3	-72.9	-178.8	-179.5	167.6	0	111.4	M94 L308 T313 R314 E593	M94-K310 HydrophobicContact CE-CB 3.94Å; M94-K310 HydrophobicContact CE-CG 4.4Å; M94-K310 WeakPolarHBondContact CE-O 3.4Å; L308-K310 PolarHBondContact O-N 3.45Å; K310-T313 WeakPolarHBondContact O-CB 3.41Å; K310-T313 PolarHBondContact O-N 2.73Å; K310-R314 PolarHBondContact O-N 3.12Å; K310-E593 WeakPolarHBondContact CD-OE2 3.3Å; K310-E593 WeakPolarHBondContact CE-OE1 3.29Å; K310-E593 WeakPolarHBondContact CE-OE2 3.47Å; K310-E593 IonicContact NZ-OE1 2.62Å; K310-E593 PolarHBondContact NZ-OE1 3.41Å; K310-E593 IonicContact NZ-OE2 3.37Å; K310-E593 PolarHBondContact NZ-OE2 3.44Å
311	I	90.2	Very high	93.9	Very high	8 Å²	8	15.9 Å²	15.9	4%	0.041	9%	0.094	C	C	.	.	H	α-helix	trans	-70	-41.6	-176.4	-172.4	144.3	0	0	0	112.5	L181 L308 S309 T313 R314 L315 F594 F596	L181-I311 HydrophobicContact CD1-CG2 4.46Å; L181-I311 HydrophobicContact CD2-CG2 4.05Å; L308-I311 WeakPolarHBondContact O-CG2 3.43Å; L308-I311 PolarHBondContact O-N 2.87Å; S309-I311 PolarHBondContact O-N 3.3Å; I311-T313 VanDerWaalsContact C-N 3.33Å; I311-T313 PolarHBondContact O-N 3.3Å; I311-R314 WeakPolarHBondContact O-CB 3.49Å; I311-R314 PolarHBondContact O-N 2.85Å; I311-R314 VanDerWaalsContact O-N 3.13Å; I311-L315 HydrophobicContact CD1-CD1 4.23Å; I311-L315 HydrophobicContact CG1-CD1 3.64Å; I311-L315 HydrophobicContact CG1-CG 4.16Å; I311-L315 WeakPolarHBondContact O-CG 3.38Å; I311-L315 PolarHBondContact O-N 3.02Å; I311-F594 HydrophobicContact CD1-CD1 4.36Å; I311-F596 HydrophobicContact CD1-CD2 3.14Å; I311-F596 HydrophobicContact CD1-CE2 3.07Å; I311-F596 HydrophobicContact CD1-CG 4.44Å; I311-F596 HydrophobicContact CD1-CZ 4.33Å; I311-F596 HydrophobicContact CG1-CE2 4.42Å
312	L	91.7	Very high	94	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-66	-37.2	174.5	-71.9	175	0	0	0	111.9	L181 V304 L308 R314 L315 H316 P319 W322	L181-L312 HydrophobicContact CD2-CD2 3.49Å; L181-L312 VanDerWaalsContact CD2-CD2 3.49Å; L181-L312 HydrophobicContact CD2-CG 4Å; V304-L312 HydrophobicContact CG1-CD1 3.68Å; L308-L312 HydrophobicContact CB-CD1 3.75Å; L308-L312 HydrophobicContact CB-CG 4.2Å; L308-L312 HydrophobicContact CD1-CD1 4.4Å; L308-L312 WeakPolarHBondContact O-CB 3.45Å; L308-L312 WeakPolarHBondContact O-CG 3.48Å; L308-L312 PolarHBondContact O-N 2.99Å; L312-R314 PolarHBondContact O-N 2.94Å; L312-L315 PolarHBondContact O-N 3.31Å; L312-H316 PolarHBondContact O-N 3.17Å; L312-H316 VanDerWaalsContact O-O 3.12Å; L312-P319 HydrophobicContact CB-CB 3.9Å; L312-P319 HydrophobicContact CB-CG 4.39Å; L312-W322 HydrophobicContact CD1-CE3 3.64Å; L312-W322 HydrophobicContact CD1-CZ3 3.91Å; L312-W322 HydrophobicContact CD2-CD2 3.59Å; L312-W322 HydrophobicContact CD2-CE3 3.36Å; L312-W322 HydrophobicContact CD2-CG 4.2Å; L312-W322 HydrophobicContact CD2-CH2 4.2Å; L312-W322 HydrophobicContact CD2-CZ2 4.38Å; L312-W322 HydrophobicContact CD2-CZ3 3.7Å; L312-W322 HydrophobicContact CG-CE3 4.15Å; L312-W322 HydrophobicContact CG-CZ3 4.37Å
313	T	89.4	Confident	94.1	Very high	35 Å²	35	15.1 Å²	15.1	22%	0.215	9%	0.089	C	C	.	.	H	α-helix	trans	-57	-34.7	173.2	-59.1	0	0	0	0	111.7	M94 I98 R101 S309 K310 I311 L579	M94-T313 HydrophobicContact CG-CG2 4.3Å; M94-T313 HydrophobicContact SD-CG2 4.08Å; I98-T313 HydrophobicContact CD1-CG2 4.09Å; I98-T313 HydrophobicContact CG1-CG2 4.43Å; R101-T313 PolarHBondContact NH2-O 3.04Å; S309-T313 WeakPolarHBondContact O-CB 3.32Å; S309-T313 PolarHBondContact O-N 3.25Å; S309-T313 PolarHBondContact O-OG1 3.32Å; K310-T313 WeakPolarHBondContact O-CB 3.41Å; K310-T313 PolarHBondContact O-N 2.73Å; I311-T313 VanDerWaalsContact C-N 3.33Å; I311-T313 PolarHBondContact O-N 3.3Å; T313-L579 VanDerWaalsContact OG1-CD2 3.23Å; T313-L579 WeakPolarHBondContact OG1-CD2 3.4Å
314	R	89.4	Confident	94.3	Very high	14 Å²	14	15.1 Å²	15.1	5%	0.053	9%	0.089	C	C	.	.	H	α-helix	trans	-73.3	-53.9	173.5	176.4	178.9	174.8	-141.5	-14.6	110.9	H92 M94 E97 R101 K310 I311 L312 Y598	H92-R314 PolarHBondContact O-NE 3.02Å; H92-R314 PolarHBondContact O-NH2 2.85Å; M94-R314 HydrophobicContact CB-CB 4.16Å; M94-R314 HydrophobicContact CB-CG 4.45Å; M94-R314 HydrophobicContact CG-CB 4.29Å; E97-R314 VanDerWaalsContact CB-O 3.3Å; E97-R314 WeakPolarHBondContact CB-O 3.38Å; E97-R314 HydrophobicContact CG-CG 4.4Å; E97-R314 WeakPolarHBondContact CG-O 3.36Å; R101-R314 PolarHBondContact NH1-O 2.66Å; R101-R314 PolarHBondContact NH2-O 3.35Å; K310-R314 PolarHBondContact O-N 3.12Å; I311-R314 WeakPolarHBondContact O-CB 3.49Å; I311-R314 PolarHBondContact O-N 2.85Å; I311-R314 VanDerWaalsContact O-N 3.13Å; L312-R314 PolarHBondContact O-N 2.94Å; R314-Y598 VanDerWaalsContact NH1-CZ 3.32Å; R314-Y598 PolarHBondContact NH1-OH 3.44Å
315	L	91.4	Very high	94.3	Very high	5 Å²	5	15.1 Å²	15.1	3%	0.026	9%	0.089	C	C	.	.	H	α-helix	trans	-81.2	-25.4	-165.2	-64.2	176.2	0	0	0	115.1	R174 Y177 L178 L181 I311 L312	R174-L315 HydrophobicContact CG-CD2 4.5Å; Y177-L315 HydrophobicContact CG-CD2 4.39Å; L178-L315 HydrophobicContact CD2-CB 3.67Å; L178-L315 HydrophobicContact CD2-CD1 4.44Å; L178-L315 HydrophobicContact CG-CB 4.13Å; L181-L315 HydrophobicContact CD2-CD1 4.43Å; I311-L315 HydrophobicContact CD1-CD1 4.23Å; I311-L315 HydrophobicContact CG1-CD1 3.64Å; I311-L315 HydrophobicContact CG1-CG 4.16Å; I311-L315 WeakPolarHBondContact O-CG 3.38Å; I311-L315 PolarHBondContact O-N 3.02Å; L312-L315 PolarHBondContact O-N 3.31Å
316	H	95.2	Very high	94.4	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	9%	0.089	C	C	.	.			trans	-135.9	134.9	-169.3	-154.7	-93.7	0	0	0	112.4	L178 L312 A318 W322 Q499 D507	L178-H316 HydrophobicContact CD2-CB 4.3Å; L312-H316 PolarHBondContact O-N 3.17Å; L312-H316 VanDerWaalsContact O-O 3.12Å; H316-A318 VanDerWaalsContact C-N 3.29Å; H316-A318 PolarHBondContact ND1-N 2.82Å; H316-A318 PolarHBondContact ND1-O 3.31Å; H316-A318 PolarHBondContact O-N 2.75Å; H316-W322 AromaticContact CD2-CD1 3.57Å; H316-W322 AromaticContact NE2-CD1 3.76Å; H316-Q499 PolarHBondContact CE1-OE1 2.93Å; H316-Q499 PolarHBondContact NE2-OE1 2.84Å; H316-D507 IonicContact CD2-OD1 2.98Å; H316-D507 IonicContact CE1-OD1 2.79Å; H316-D507 IonicContact CG-OD1 2.84Å; H316-D507 IonicContact ND1-OD1 2.72Å; H316-D507 IonicContact NE2-OD1 2.67Å
317	G	94.2	Very high	94.6	Very high	27 Å²	27	13.5 Å²	13.5	28%	0.278	8%	0.078	S	C	.	.	S	Bend	trans	-74.9	-14.5	-179.5	0	0	0	0	0	115.1	D507 S509	G317-D507 PolarHBondContact N-OD1 3.41Å; G317-D507 VanDerWaalsContact N-OD1 3.11Å; G317-D507 PolarHBondContact N-OD2 3.09Å; G317-D507 VanDerWaalsContact N-OD2 3.07Å; G317-S509 WeakPolarHBondContact CA-OG 3.38Å; G317-S509 PolarHBondContact N-OG 2.98Å
318	A	95.7	Very high	94.9	Very high	19 Å²	19	13 Å²	13	16%	0.157	8%	0.076	C	C	.	.	S	Bend	trans	-134.6	79.5	174.9	0	0	0	0	0	110.7	H316 F320 V321 W322	H316-A318 VanDerWaalsContact C-N 3.29Å; H316-A318 PolarHBondContact ND1-N 2.82Å; H316-A318 PolarHBondContact ND1-O 3.31Å; H316-A318 PolarHBondContact O-N 2.75Å; A318-F320 PolarHBondContact O-N 2.85Å; A318-V321 HydrophobicContact CB-CB 3.9Å; A318-V321 HydrophobicContact CB-CG2 3.63Å; A318-V321 PolarHBondContact O-N 2.64Å; A318-W322 PolarHBondContact O-N 3.44Å
319	P	96.5	Very high	95.2	Very high	21 Å²	21	15.7 Å²	15.7	14%	0.136	9%	0.087	C	C	.	.	H	α-helix	trans	-57.7	-41.3	-171.4	-31.4	38.8	0	0	0	115	V304 L312 W322 F323 L579	V304-P319 HydrophobicContact CG2-CB 4.09Å; L312-P319 HydrophobicContact CB-CB 3.9Å; L312-P319 HydrophobicContact CB-CG 4.39Å; P319-W322 PolarHBondContact O-N 3.09Å; P319-F323 PolarHBondContact O-N 2.86Å; P319-L579 HydrophobicContact CB-CD1 3.73Å; P319-L579 HydrophobicContact CG-CD1 4.08Å
320	F	97.6	Very high	95.5	Very high	12 Å²	12	15.2 Å²	15.2	5%	0.053	8%	0.083	C	C	.	.	H	α-helix	trans	-67.4	-43.1	178.2	174.4	-104.5	0	0	0	112.4	P301 P302 A303 V304 A318 W322 F323 I324 Y519 F521	P301-F320 HydrophobicContact CB-CE1 4.29Å; P301-F320 HydrophobicContact CB-CE2 3.99Å; P301-F320 HydrophobicContact CB-CZ 3.53Å; P301-F320 HydrophobicContact CG-CE2 4.34Å; P301-F320 HydrophobicContact CG-CZ 4.04Å; P302-F320 VanDerWaalsContact CA-CG 3.45Å; P302-F320 HydrophobicContact CB-CB 3.97Å; P302-F320 HydrophobicContact CB-CD1 3.36Å; P302-F320 HydrophobicContact CB-CD2 3.95Å; P302-F320 HydrophobicContact CB-CE1 3.83Å; P302-F320 HydrophobicContact CB-CE2 4.36Å; P302-F320 HydrophobicContact CB-CG 3.44Å; P302-F320 VanDerWaalsContact CB-CG 3.44Å; P302-F320 HydrophobicContact CB-CZ 4.32Å; P302-F320 WeakPolarHBondContact O-CB 3.43Å; P302-F320 WeakPolarHBondContact O-CD2 3.5Å; P302-F320 WeakPolarHBondContact O-CG 3.49Å; A303-F320 WeakPolarHBondContact O-CD2 3.49Å; V304-F320 HydrophobicContact CG2-CB 3.88Å; V304-F320 HydrophobicContact CG2-CD2 4.45Å; A318-F320 PolarHBondContact O-N 2.85Å; F320-W322 PolarHBondContact O-N 3.01Å; F320-F323 HydrophobicContact CD2-CD1 4.48Å; F320-F323 PolarHBondContact O-N 2.99Å; F320-F323 VanDerWaalsContact O-N 3.11Å; F320-I324 HydrophobicContact CE1-CB 4.24Å; F320-I324 HydrophobicContact CE1-CG2 4.09Å; F320-I324 HydrophobicContact CE2-CB 4.14Å; F320-I324 HydrophobicContact CE2-CD1 4.31Å; F320-I324 HydrophobicContact CZ-CB 3.83Å; F320-I324 HydrophobicContact CZ-CD1 4.04Å; F320-I324 HydrophobicContact CZ-CG1 4.07Å; F320-I324 HydrophobicContact CZ-CG2 4.19Å; F320-I324 WeakPolarHBondContact O-CG2 3.41Å; F320-I324 PolarHBondContact O-N 2.83Å; F320-Y519 AromaticContact CD1-CE1 3.95Å; F320-Y519 HydrophobicContact CD1-CE1 3.95Å; F320-Y519 HydrophobicContact CE1-CE1 4.23Å; F320-Y519 VanDerWaalsContact CE1-OH 3.32Å; F320-Y519 WeakPolarHBondContact CE1-OH 3.35Å; F320-F521 HydrophobicContact CE1-CB 3.9Å; F320-F521 AromaticContact CE1-CD2 3.99Å; F320-F521 HydrophobicContact CE1-CD2 3.99Å; F320-F521 HydrophobicContact CE1-CG 4.18Å; F320-F521 HydrophobicContact CZ-CB 4.28Å; F320-F521 HydrophobicContact CZ-CD2 4.02Å; F320-F521 HydrophobicContact CZ-CG 4.18Å
321	V	98.2	Very high	96	Very high	5 Å²	5	10.1 Å²	10.1	3%	0.03	6%	0.061	C	C	.	.	H	α-helix	trans	-60.4	-40.3	177.8	-169.4	0	0	0	0	110.3	A318 G325 Y495 E496 Q499 Y519	A318-V321 HydrophobicContact CB-CB 3.9Å; A318-V321 HydrophobicContact CB-CG2 3.63Å; A318-V321 PolarHBondContact O-N 2.64Å; V321-G325 WeakPolarHBondContact O-CA 3.49Å; V321-G325 PolarHBondContact O-N 3.44Å; V321-Y495 HydrophobicContact CB-CE1 4.23Å; V321-Y495 HydrophobicContact CG1-CD1 3.72Å; V321-Y495 HydrophobicContact CG1-CE1 3.45Å; V321-Y495 VanDerWaalsContact CG1-CE1 3.45Å; V321-Y495 HydrophobicContact CG2-CE1 3.89Å; V321-E496 HydrophobicContact CG1-CG 4.07Å; V321-Q499 HydrophobicContact CB-CG 4.13Å; V321-Q499 HydrophobicContact CG1-CG 3.47Å; V321-Q499 VanDerWaalsContact CG1-CG 3.47Å; V321-Y519 HydrophobicContact CG1-CE2 4.29Å; V321-Y519 HydrophobicContact CG2-CD1 3.79Å; V321-Y519 HydrophobicContact CG2-CD2 4.33Å; V321-Y519 HydrophobicContact CG2-CE1 3.54Å; V321-Y519 HydrophobicContact CG2-CE2 4.08Å; V321-Y519 HydrophobicContact CG2-CG 4.17Å
322	W	98.5	Very high	96.4	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60.6	-51.3	172.6	-175.7	89.3	0	0	0	111.4	L181 L185 L308 L312 H316 A318 P319 F320 G325 Q326 Q499 H502	L181-W322 HydrophobicContact CB-CH2 4.29Å; L181-W322 HydrophobicContact CB-CZ2 4.33Å; L181-W322 HydrophobicContact CD2-CH2 3.96Å; L181-W322 HydrophobicContact CD2-CZ2 4.33Å; L181-W322 HydrophobicContact CD2-CZ3 4.4Å; L181-W322 HydrophobicContact CG-CH2 3.81Å; L181-W322 HydrophobicContact CG-CZ2 4.3Å; L185-W322 HydrophobicContact CD2-CH2 4.14Å; L185-W322 HydrophobicContact CD2-CZ3 3.87Å; L308-W322 HydrophobicContact CD1-CZ3 4.48Å; L312-W322 HydrophobicContact CD1-CE3 3.64Å; L312-W322 HydrophobicContact CD1-CZ3 3.91Å; L312-W322 HydrophobicContact CD2-CD2 3.59Å; L312-W322 HydrophobicContact CD2-CE3 3.36Å; L312-W322 HydrophobicContact CD2-CG 4.2Å; L312-W322 HydrophobicContact CD2-CH2 4.2Å; L312-W322 HydrophobicContact CD2-CZ2 4.38Å; L312-W322 HydrophobicContact CD2-CZ3 3.7Å; L312-W322 HydrophobicContact CG-CE3 4.15Å; L312-W322 HydrophobicContact CG-CZ3 4.37Å; H316-W322 AromaticContact CD2-CD1 3.57Å; H316-W322 AromaticContact NE2-CD1 3.76Å; A318-W322 PolarHBondContact O-N 3.44Å; P319-W322 PolarHBondContact O-N 3.09Å; F320-W322 PolarHBondContact O-N 3.01Å; W322-G325 CarbonylContact O-C 3.51Å; W322-G325 PolarHBondContact O-N 3.36Å; W322-Q326 HydrophobicContact CD2-CG 4.01Å; W322-Q326 HydrophobicContact CE3-CG 3.92Å; W322-Q326 HydrophobicContact CH2-CG 3.69Å; W322-Q326 HydrophobicContact CZ2-CG 3.77Å; W322-Q326 HydrophobicContact CZ3-CG 3.75Å; W322-Q326 WeakPolarHBondContact O-CG 3.41Å; W322-Q326 PolarHBondContact O-N 3.13Å; W322-Q499 HydrophobicContact CB-CB 4.45Å; W322-Q499 VanDerWaalsContact CD1-O 3.26Å; W322-H502 AromaticContact CD1-NE2 3.74Å; W322-H502 AromaticContact CE2-NE2 3.86Å; W322-H502 AromaticContact NE1-CD2 3.63Å; W322-H502 AromaticContact NE1-CE1 3.92Å; W322-H502 AromaticContact NE1-NE2 2.91Å; W322-H502 PolarHBondContact NE1-NE2 3.47Å
323	F	98.6	Very high	96.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.6	-51.3	-177.6	172	-113.8	0	0	0	112.3	L185 Q226 Y229 P305 P319 F320 G325 Q326 L327 M584	L185-F323 HydrophobicContact CD2-CD2 4Å; L185-F323 HydrophobicContact CD2-CE2 4.25Å; Q226-F323 HydrophobicContact CG-CE1 4.1Å; Y229-F323 HydrophobicContact CD1-CE2 4.33Å; Y229-F323 AromaticContact CD1-CZ 3.99Å; Y229-F323 HydrophobicContact CD1-CZ 3.99Å; Y229-F323 HydrophobicContact CE1-CE2 4.28Å; Y229-F323 HydrophobicContact CE1-CZ 4.34Å; P305-F323 HydrophobicContact CG-CD2 3.82Å; P305-F323 HydrophobicContact CG-CE1 4.2Å; P305-F323 HydrophobicContact CG-CE2 3.4Å; P305-F323 HydrophobicContact CG-CG 4.38Å; P305-F323 HydrophobicContact CG-CZ 3.61Å; P319-F323 PolarHBondContact O-N 2.86Å; F320-F323 HydrophobicContact CD2-CD1 4.48Å; F320-F323 PolarHBondContact O-N 2.99Å; F320-F323 VanDerWaalsContact O-N 3.11Å; F323-G325 VanDerWaalsContact C-N 3.26Å; F323-G325 PolarHBondContact O-N 2.85Å; F323-Q326 WeakPolarHBondContact O-CB 3.06Å; F323-Q326 PolarHBondContact O-N 3.49Å; F323-Q326 VanDerWaalsContact O-N 3.08Å; F323-L327 HydrophobicContact CE1-CD1 4.21Å; F323-L327 HydrophobicContact CE2-CD2 4.22Å; F323-L327 HydrophobicContact CZ-CD1 4.1Å; F323-L327 HydrophobicContact CZ-CD2 4.29Å; F323-L327 HydrophobicContact CZ-CG 4.35Å; F323-L327 PolarHBondContact O-N 3.2Å; F323-M584 HydrophobicContact CE1-CE 4.3Å; F323-M584 HydrophobicContact CE1-SD 4.18Å; F323-M584 HydrophobicContact CZ-SD 4Å
324	I	98.7	Very high	97.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.1	-34.6	178.3	-157.2	76.9	0	0	0	110.9	M222 Q226 F320 Q326 L327 G328 E496 F521	M222-I324 HydrophobicContact CB-CD1 4.13Å; M222-I324 HydrophobicContact CB-CG1 4.23Å; M222-I324 HydrophobicContact CE-CB 4.43Å; M222-I324 HydrophobicContact CE-CG1 3.65Å; M222-I324 HydrophobicContact CE-CG2 4.38Å; M222-I324 VanDerWaalsContact CE-O 3.27Å; M222-I324 WeakPolarHBondContact CE-O 3.34Å; Q226-I324 VanDerWaalsContact OE1-CD1 3.3Å; F320-I324 HydrophobicContact CE1-CB 4.24Å; F320-I324 HydrophobicContact CE1-CG2 4.09Å; F320-I324 HydrophobicContact CE2-CB 4.14Å; F320-I324 HydrophobicContact CE2-CD1 4.31Å; F320-I324 HydrophobicContact CZ-CB 3.83Å; F320-I324 HydrophobicContact CZ-CD1 4.04Å; F320-I324 HydrophobicContact CZ-CG1 4.07Å; F320-I324 HydrophobicContact CZ-CG2 4.19Å; F320-I324 WeakPolarHBondContact O-CG2 3.41Å; F320-I324 PolarHBondContact O-N 2.83Å; I324-Q326 VanDerWaalsContact C-N 3.31Å; I324-Q326 PolarHBondContact O-N 3.16Å; I324-L327 HydrophobicContact CD1-CD1 4.13Å; I324-L327 WeakPolarHBondContact O-CB 3.42Å; I324-L327 PolarHBondContact O-N 3Å; I324-L327 VanDerWaalsContact O-N 3.1Å; I324-G328 PolarHBondContact O-N 3.45Å; I324-E496 HydrophobicContact CG2-CB 4.25Å; I324-E496 HydrophobicContact CG2-CG 3.73Å; I324-F521 HydrophobicContact CD1-CE2 4.01Å; I324-F521 HydrophobicContact CD1-CZ 4.33Å; I324-F521 HydrophobicContact CG1-CD2 4.25Å; I324-F521 HydrophobicContact CG1-CE2 3.69Å; I324-F521 HydrophobicContact CG1-CZ 4.46Å
325	G	98.8	Very high	97.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.6	-36.1	171.4	0	0	0	0	0	113.4	V321 W322 F323 G328 K329 E496	V321-G325 WeakPolarHBondContact O-CA 3.49Å; V321-G325 PolarHBondContact O-N 3.44Å; W322-G325 CarbonylContact O-C 3.51Å; W322-G325 PolarHBondContact O-N 3.36Å; F323-G325 VanDerWaalsContact C-N 3.26Å; F323-G325 PolarHBondContact O-N 2.85Å; G325-G328 PolarHBondContact O-N 3.43Å; G325-K329 WeakPolarHBondContact O-CB 3.23Å; G325-K329 PolarHBondContact O-N 3.34Å; G325-E496 VanDerWaalsContact CA-O 3.24Å; G325-E496 WeakPolarHBondContact CA-O 3.32Å
326	Q	98.8	Very high	97.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67.8	-36.8	172.8	-63.5	-56.9	-41.3	0	0	112.3	S182 L185 Q186 W322 F323 I324 K329 F330 H502	S182-Q326 PolarHBondContact OG-OE1 3.15Å; L185-Q326 HydrophobicContact CD2-CB 3.69Å; L185-Q326 HydrophobicContact CD2-CG 3.95Å; Q186-Q326 PolarHBondContact NE2-O 2.85Å; W322-Q326 HydrophobicContact CD2-CG 4.01Å; W322-Q326 HydrophobicContact CE3-CG 3.92Å; W322-Q326 HydrophobicContact CH2-CG 3.69Å; W322-Q326 HydrophobicContact CZ2-CG 3.77Å; W322-Q326 HydrophobicContact CZ3-CG 3.75Å; W322-Q326 WeakPolarHBondContact O-CG 3.41Å; W322-Q326 PolarHBondContact O-N 3.13Å; F323-Q326 WeakPolarHBondContact O-CB 3.06Å; F323-Q326 PolarHBondContact O-N 3.49Å; F323-Q326 VanDerWaalsContact O-N 3.08Å; I324-Q326 VanDerWaalsContact C-N 3.31Å; I324-Q326 PolarHBondContact O-N 3.16Å; Q326-K329 PolarHBondContact O-N 3.49Å; Q326-F330 PolarHBondContact O-N 2.78Å; Q326-F330 VanDerWaalsContact O-N 3.11Å; Q326-H502 PolarHBondContact NE2-CE1 2.62Å; Q326-H502 PolarHBondContact NE2-NE2 2.92Å
327	L	98.9	Very high	97.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.2	-45.3	172.3	-57.2	-163.5	0	0	0	110.4	L189 F225 Q226 F323 I324 K329 F330 L331	L189-L327 HydrophobicContact CD1-CD2 3.81Å; L189-L327 HydrophobicContact CD2-CD2 3.71Å; L189-L327 HydrophobicContact CG-CD2 4.41Å; F225-L327 HydrophobicContact CB-CD1 4.3Å; F225-L327 HydrophobicContact CD1-CB 3.86Å; F225-L327 HydrophobicContact CD1-CD1 4.45Å; F225-L327 HydrophobicContact CD1-CD2 3.97Å; F225-L327 HydrophobicContact CD1-CG 4.3Å; F225-L327 HydrophobicContact CE1-CD2 4.17Å; Q226-L327 HydrophobicContact CB-CD1 3.74Å; F323-L327 HydrophobicContact CE1-CD1 4.21Å; F323-L327 HydrophobicContact CE2-CD2 4.22Å; F323-L327 HydrophobicContact CZ-CD1 4.1Å; F323-L327 HydrophobicContact CZ-CD2 4.29Å; F323-L327 HydrophobicContact CZ-CG 4.35Å; F323-L327 PolarHBondContact O-N 3.2Å; I324-L327 HydrophobicContact CD1-CD1 4.13Å; I324-L327 WeakPolarHBondContact O-CB 3.42Å; I324-L327 PolarHBondContact O-N 3Å; I324-L327 VanDerWaalsContact O-N 3.1Å; L327-K329 PolarHBondContact O-N 3.08Å; L327-F330 WeakPolarHBondContact O-CB 3.36Å; L327-F330 PolarHBondContact O-N 2.85Å; L327-L331 VanDerWaalsContact O-CG 3.25Å; L327-L331 WeakPolarHBondContact O-CG 3.37Å; L327-L331 PolarHBondContact O-N 2.83Å
328	G	98.8	Very high	97.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-57.2	-47.2	173.4	0	0	0	0	0	112.8	I324 G325 F330 L331 M332	I324-G328 PolarHBondContact O-N 3.45Å; G325-G328 PolarHBondContact O-N 3.43Å; G328-F330 VanDerWaalsContact C-N 3.25Å; G328-F330 PolarHBondContact O-N 3.06Å; G328-L331 PolarHBondContact O-N 2.76Å; G328-L331 VanDerWaalsContact O-N 3.17Å; G328-M332 WeakPolarHBondContact O-CB 3.36Å; G328-M332 PolarHBondContact O-N 2.8Å
329	K	98.6	Very high	97.1	Very high	62 Å²	62	28 Å²	28	27%	0.27	15%	0.15	S	C	.	.	H	α-helix	trans	-55.3	-39.5	175.5	178.3	179.1	175	177.9	0	112.1	S182 G325 Q326 L327 R333	S182-K329 PolarHBondContact OG-NZ 3.36Å; G325-K329 WeakPolarHBondContact O-CB 3.23Å; G325-K329 PolarHBondContact O-N 3.34Å; Q326-K329 PolarHBondContact O-N 3.49Å; L327-K329 PolarHBondContact O-N 3.08Å; K329-R333 WeakPolarHBondContact O-CG 3.25Å
330	F	98.8	Very high	96.7	Very high	3 Å²	3	33.1 Å²	33.1	1%	0.013	17%	0.172	C	C	.	.	H	α-helix	trans	-71.5	-46	177.1	-172.1	-76.3	0	0	0	111.7	L189 F190 Q193 F225 Q326 L327 G328 R333	L189-F330 HydrophobicContact CB-CD2 3.52Å; L189-F330 HydrophobicContact CB-CE2 3.7Å; L189-F330 HydrophobicContact CB-CG 4.21Å; L189-F330 HydrophobicContact CB-CZ 4.49Å; L189-F330 HydrophobicContact CD1-CB 4.04Å; L189-F330 HydrophobicContact CD1-CD2 4.08Å; L189-F330 HydrophobicContact CD1-CG 4.24Å; L189-F330 HydrophobicContact CG-CD2 4.46Å; F190-F330 HydrophobicContact CB-CE2 4.17Å; Q193-F330 HydrophobicContact CB-CZ 4.18Å; Q193-F330 HydrophobicContact CG-CE1 3.82Å; Q193-F330 HydrophobicContact CG-CZ 3.8Å; F225-F330 HydrophobicContact CE1-CB 3.85Å; F225-F330 AromaticContact CE1-CD1 3.49Å; F225-F330 HydrophobicContact CE1-CD1 3.49Å; F225-F330 VanDerWaalsContact CE1-CD1 3.49Å; F225-F330 HydrophobicContact CE1-CE1 4.25Å; F225-F330 AromaticContact CE1-CG 3.72Å; F225-F330 HydrophobicContact CE1-CG 3.72Å; F225-F330 AromaticContact CZ-CD1 3.63Å; F225-F330 HydrophobicContact CZ-CD1 3.63Å; F225-F330 AromaticContact CZ-CE1 3.91Å; F225-F330 HydrophobicContact CZ-CE1 3.91Å; F225-F330 HydrophobicContact CZ-CG 4.03Å; Q326-F330 PolarHBondContact O-N 2.78Å; Q326-F330 VanDerWaalsContact O-N 3.11Å; L327-F330 WeakPolarHBondContact O-CB 3.36Å; L327-F330 PolarHBondContact O-N 2.85Å; G328-F330 VanDerWaalsContact C-N 3.25Å; G328-F330 PolarHBondContact O-N 3.06Å; F330-R333 VanDerWaalsContact CD1-NH1 3.29Å; F330-R333 VanDerWaalsContact CZ-NH1 3.33Å; F330-R333 PolarHBondContact O-NE 3.24Å; F330-R333 PolarHBondContact O-NH1 3Å; F330-R333 PolarHBondContact O-NH2 3.29Å
331	L	98.8	Very high	96.1	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-70.8	-33.4	-174.9	-67.2	169.4	0	0	0	113.3	L221 M222 F225 L235 W249 L256 L327 G328	L221-L331 HydrophobicContact CB-CD1 4.35Å; L221-L331 HydrophobicContact CD2-CD1 4.35Å; L221-L331 HydrophobicContact CD2-CD2 4.09Å; L221-L331 HydrophobicContact CG-CD1 3.93Å; L221-L331 HydrophobicContact CG-CD2 4.03Å; L221-L331 HydrophobicContact CG-CG 4.5Å; M222-L331 HydrophobicContact CB-CD1 4.32Å; M222-L331 HydrophobicContact CG-CD1 3.72Å; F225-L331 HydrophobicContact CB-CD1 4.03Å; F225-L331 HydrophobicContact CB-CD2 4.32Å; F225-L331 HydrophobicContact CD1-CD1 3.98Å; F225-L331 HydrophobicContact CD1-CD2 3.77Å; F225-L331 HydrophobicContact CD1-CG 3.71Å; F225-L331 HydrophobicContact CE1-CD2 4.26Å; F225-L331 HydrophobicContact CE1-CG 4.29Å; F225-L331 HydrophobicContact CG-CD1 4.41Å; F225-L331 HydrophobicContact CG-CD2 4.1Å; F225-L331 HydrophobicContact CG-CG 4.39Å; L235-L331 HydrophobicContact CD2-CD2 3.96Å; W249-L331 HydrophobicContact CZ2-CB 4.1Å; W249-L331 PolarHBondContact NE1-O 3.12Å; L256-L331 HydrophobicContact CD1-CD2 4.26Å; L256-L331 HydrophobicContact CD2-CD2 3.61Å; L327-L331 VanDerWaalsContact O-CG 3.25Å; L327-L331 WeakPolarHBondContact O-CG 3.37Å; L327-L331 PolarHBondContact O-N 2.83Å; G328-L331 PolarHBondContact O-N 2.76Å; G328-L331 VanDerWaalsContact O-N 3.17Å
332	M	98.2	Very high	95.9	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.025	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	38.6	-172.9	-62.1	-176.3	66.3	0	0	112.3	F214 W249 F253 G328 P334 F474 L493 L497	F214-M332 HydrophobicContact CE1-CE 4.03Å; F214-M332 HydrophobicContact CZ-CE 3.93Å; W249-M332 HydrophobicContact CH2-CG 3.69Å; W249-M332 HydrophobicContact CH2-SD 4.11Å; W249-M332 HydrophobicContact CZ2-CG 3.52Å; F253-M332 HydrophobicContact CD1-CB 4.44Å; F253-M332 HydrophobicContact CE1-CB 4.03Å; F253-M332 HydrophobicContact CE2-CG 4.46Å; F253-M332 HydrophobicContact CZ-CB 4.13Å; F253-M332 HydrophobicContact CZ-CE 3.91Å; F253-M332 HydrophobicContact CZ-CG 4.28Å; G328-M332 WeakPolarHBondContact O-CB 3.36Å; G328-M332 PolarHBondContact O-N 2.8Å; M332-P334 WeakPolarHBondContact O-CD 3.32Å; M332-F474 HydrophobicContact CB-CE1 4.17Å; M332-F474 HydrophobicContact CB-CZ 4.01Å; M332-F474 HydrophobicContact CE-CE1 4.13Å; M332-F474 HydrophobicContact CE-CZ 4.09Å; M332-F474 VanDerWaalsContact O-CZ 3.31Å; M332-F474 WeakPolarHBondContact O-CZ 3.24Å; M332-L493 HydrophobicContact CE-CD2 4.32Å; M332-L493 HydrophobicContact SD-CD1 4.08Å; M332-L493 HydrophobicContact SD-CD2 4.14Å; M332-L493 HydrophobicContact SD-CG 4.44Å; M332-L497 HydrophobicContact CE-CD1 4.37Å; M332-L497 HydrophobicContact SD-CD1 4.05Å
333	R	97.9	Very high	95.6	Very high	64 Å²	64	41.6 Å²	41.6	24%	0.242	21%	0.212	C	C	.	.			trans	-74	108.8	173.2	-71.2	-177	-62.7	-100.5	-7.5	110	F253 V254 K329 F330	F253-R333 CarbonylContact C-O 3.19Å; F253-R333 VanDerWaalsContact CA-O 3.29Å; F253-R333 WeakPolarHBondContact CA-O 3.33Å; F253-R333 WeakPolarHBondContact CD1-O 3.34Å; V254-R333 HydrophobicContact CB-CB 4.02Å; V254-R333 HydrophobicContact CG2-CB 3.94Å; V254-R333 PolarHBondContact N-O 2.74Å; K329-R333 WeakPolarHBondContact O-CG 3.25Å; F330-R333 VanDerWaalsContact CD1-NH1 3.29Å; F330-R333 VanDerWaalsContact CZ-NH1 3.33Å; F330-R333 PolarHBondContact O-NE 3.24Å; F330-R333 PolarHBondContact O-NH1 3Å; F330-R333 PolarHBondContact O-NH2 3.29Å
334	P	97.2	Very high	95.3	Very high	59 Å²	59	43.4 Å²	43.4	38%	0.383	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-69.2	144.6	-173.8	30.5	-35.7	0	0	0	111.7	M332 F336 F474	M332-P334 WeakPolarHBondContact O-CD 3.32Å; P334-F336 HydrophobicContact CB-CD1 3.92Å; P334-F336 HydrophobicContact CB-CD2 4.2Å; P334-F336 HydrophobicContact CB-CE1 3.64Å; P334-F336 HydrophobicContact CB-CE2 3.98Å; P334-F336 HydrophobicContact CB-CG 4.18Å; P334-F336 HydrophobicContact CB-CZ 3.68Å; P334-F474 HydrophobicContact CB-CE2 4.49Å
335	T	96.8	Very high	95	Very high	83 Å²	83	44.1 Å²	44.1	51%	0.509	22%	0.224	S	C	.	.	S	Bend	trans	-94.9	-9.3	165.7	60	0	0	0	0	112.3	N252 V254	N252-T335 VanDerWaalsContact C-OG1 3.23Å; N252-T335 PolarHBondContact O-N 3.26Å; N252-T335 PolarHBondContact O-OG1 2.8Å; V254-T335 HydrophobicContact CG2-CG2 4.01Å
336	F	94.1	Very high	94.4	Very high	44 Å²	44	48.9 Å²	48.9	19%	0.193	25%	0.25	C	C	.	.	S	Bend	trans	-98.3	161.8	177	53.6	-86.3	0	0	0	111.4	N252 F253 P334 L338 M467 V470 F474	N252-F336 HydrophobicContact CB-CD1 4.1Å; N252-F336 HydrophobicContact CB-CE1 3.98Å; N252-F336 VanDerWaalsContact O-CD1 3.32Å; N252-F336 WeakPolarHBondContact O-CD1 3.45Å; N252-F336 WeakPolarHBondContact O-CE1 3.44Å; F253-F336 HydrophobicContact CD1-CE1 4.34Å; F253-F336 HydrophobicContact CE1-CE1 4Å; F253-F336 HydrophobicContact CE1-CZ 4.14Å; P334-F336 HydrophobicContact CB-CD1 3.92Å; P334-F336 HydrophobicContact CB-CD2 4.2Å; P334-F336 HydrophobicContact CB-CE1 3.64Å; P334-F336 HydrophobicContact CB-CE2 3.98Å; P334-F336 HydrophobicContact CB-CG 4.18Å; P334-F336 HydrophobicContact CB-CZ 3.68Å; F336-L338 HydrophobicContact CD2-CD1 4.28Å; F336-L338 HydrophobicContact CD2-CD2 3.91Å; F336-L338 HydrophobicContact CD2-CG 3.84Å; F336-L338 HydrophobicContact CE2-CD1 3.7Å; F336-L338 HydrophobicContact CE2-CD2 3.8Å; F336-L338 HydrophobicContact CE2-CG 3.75Å; F336-M467 HydrophobicContact CD1-CE 3.94Å; F336-M467 HydrophobicContact CD1-SD 4.49Å; F336-M467 HydrophobicContact CD2-CE 4.28Å; F336-M467 HydrophobicContact CD2-SD 4.01Å; F336-M467 HydrophobicContact CE1-CE 4.08Å; F336-M467 HydrophobicContact CE1-SD 4.28Å; F336-M467 HydrophobicContact CE2-CE 4.36Å; F336-M467 HydrophobicContact CE2-SD 3.71Å; F336-M467 HydrophobicContact CG-CE 4.06Å; F336-M467 HydrophobicContact CG-SD 4.39Å; F336-M467 HydrophobicContact CZ-CE 4.29Å; F336-M467 HydrophobicContact CZ-SD 3.87Å; F336-V470 HydrophobicContact CZ-CG1 3.83Å; F336-F474 HydrophobicContact CE2-CE2 4.44Å; F336-F474 HydrophobicContact CZ-CE2 4.04Å
337	N	91.9	Very high	93.4	Very high	120 Å²	120	54.5 Å²	54.5	64%	0.642	28%	0.28	S	S	*	.			trans	-102.4	123.4	-175.6	-172.5	-5.7	0	0	0	111.1	T339	N337-T339 WeakPolarHBondContact OD1-CB 3.18Å; N337-T339 PolarHBondContact OD1-N 3.38Å; N337-T339 PolarHBondContact OD1-OG1 2.92Å
338	L	91.8	Very high	92.6	Very high	17 Å²	17	55.2 Å²	55.2	9%	0.089	28%	0.283	C	S	.	.			trans	-109.4	14.2	177.9	-64.7	170.7	0	0	0	113	F336 E340 D341 F342 T471 F474	F336-L338 HydrophobicContact CD2-CD1 4.28Å; F336-L338 HydrophobicContact CD2-CD2 3.91Å; F336-L338 HydrophobicContact CD2-CG 3.84Å; F336-L338 HydrophobicContact CE2-CD1 3.7Å; F336-L338 HydrophobicContact CE2-CD2 3.8Å; F336-L338 HydrophobicContact CE2-CG 3.75Å; L338-E340 VanDerWaalsContact C-N 3.27Å; L338-E340 PolarHBondContact O-N 3.15Å; L338-D341 PolarHBondContact O-N 2.97Å; L338-F342 HydrophobicContact CB-CD2 3.77Å; L338-F342 HydrophobicContact CB-CE1 4.39Å; L338-F342 HydrophobicContact CB-CE2 3.53Å; L338-F342 HydrophobicContact CB-CG 4.31Å; L338-F342 HydrophobicContact CB-CZ 3.86Å; L338-F342 HydrophobicContact CD1-CE2 3.57Å; L338-F342 HydrophobicContact CD1-CZ 3.53Å; L338-F342 HydrophobicContact CG-CE2 4.18Å; L338-F342 HydrophobicContact CG-CZ 4.2Å; L338-F342 WeakPolarHBondContact O-CB 3.48Å; L338-F342 WeakPolarHBondContact O-CG 3.2Å; L338-F342 PolarHBondContact O-N 2.86Å; L338-T471 HydrophobicContact CD2-CG2 4.1Å; L338-F474 HydrophobicContact CD1-CB 4.36Å; L338-F474 HydrophobicContact CD1-CD2 3.46Å; L338-F474 VanDerWaalsContact CD1-CD2 3.46Å; L338-F474 HydrophobicContact CD1-CE2 4.08Å; L338-F474 HydrophobicContact CD1-CG 4.29Å
339	T	90.9	Very high	91.5	Very high	92 Å²	92	60.1 Å²	60.1	56%	0.564	32%	0.317	S	S	*	.	H	α-helix	trans	-58.3	-41.2	-175.3	-59.7	0	0	0	0	111.4	N337 F342 K343	N337-T339 WeakPolarHBondContact OD1-CB 3.18Å; N337-T339 PolarHBondContact OD1-N 3.38Å; N337-T339 PolarHBondContact OD1-OG1 2.92Å; T339-F342 PolarHBondContact O-N 3.3Å; T339-K343 WeakPolarHBondContact O-CG 3.16Å; T339-K343 PolarHBondContact O-N 2.98Å
340	E	88.3	Confident	90.5	Very high	129 Å²	129	61.1 Å²	61.1	60%	0.603	33%	0.326	S	S	*	.	H	α-helix	trans	-67.5	-49.7	-180	-166.1	63.2	-145.6	0	0	111.7	L338 F342 K343	L338-E340 VanDerWaalsContact C-N 3.27Å; L338-E340 PolarHBondContact O-N 3.15Å; E340-F342 PolarHBondContact O-N 3.15Å; E340-F342 VanDerWaalsContact O-N 3.14Å; E340-K343 PolarHBondContact O-N 3.2Å; E340-K343 WeakPolarHBondContact OE1-CD 3.36Å; E340-K343 WeakPolarHBondContact OE1-CE 3.4Å; E340-K343 IonicContact OE1-NZ 3.58Å; E340-K343 PolarHBondContact OE1-NZ 3.08Å; E340-K343 WeakPolarHBondContact OE2-CE 3.18Å; E340-K343 IonicContact OE2-NZ 2.95Å; E340-K343 PolarHBondContact OE2-NZ 3.34Å
341	D	86.7	Confident	89.8	Confident	68 Å²	68	62.9 Å²	62.9	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-55.9	-32.7	177	-61.3	-83.5	0	0	0	112.1	L338 T471	L338-D341 PolarHBondContact O-N 2.97Å; D341-T471 HydrophobicContact CB-CG2 4.32Å
342	F	93.3	Very high	89.6	Confident	25 Å²	25	63.1 Å²	63.1	11%	0.11	34%	0.337	C	S	.	.	H	α-helix	trans	-96.8	1	-173.2	-64.4	-10.3	0	0	0	115.2	L338 T339 E340 I344 F345 F474 A475 R478	L338-F342 HydrophobicContact CB-CD2 3.77Å; L338-F342 HydrophobicContact CB-CE1 4.39Å; L338-F342 HydrophobicContact CB-CE2 3.53Å; L338-F342 HydrophobicContact CB-CG 4.31Å; L338-F342 HydrophobicContact CB-CZ 3.86Å; L338-F342 HydrophobicContact CD1-CE2 3.57Å; L338-F342 HydrophobicContact CD1-CZ 3.53Å; L338-F342 HydrophobicContact CG-CE2 4.18Å; L338-F342 HydrophobicContact CG-CZ 4.2Å; L338-F342 WeakPolarHBondContact O-CB 3.48Å; L338-F342 WeakPolarHBondContact O-CG 3.2Å; L338-F342 PolarHBondContact O-N 2.86Å; T339-F342 PolarHBondContact O-N 3.3Å; E340-F342 PolarHBondContact O-N 3.15Å; E340-F342 VanDerWaalsContact O-N 3.14Å; F342-I344 PolarHBondContact O-N 3.19Å; F342-I344 VanDerWaalsContact O-N 3.09Å; F342-F345 HydrophobicContact CB-CD2 3.91Å; F342-F345 HydrophobicContact CD1-CD2 4Å; F342-F345 AromaticContact CD1-CE2 3.72Å; F342-F345 HydrophobicContact CD1-CE2 3.72Å; F342-F345 HydrophobicContact CE1-CE2 4.31Å; F342-F345 HydrophobicContact CG-CD2 4.09Å; F342-F345 HydrophobicContact CG-CE2 4.26Å; F342-F345 WeakPolarHBondContact O-CB 3.48Å; F342-F345 PolarHBondContact O-N 2.94Å; F342-F474 HydrophobicContact CE1-CB 4.48Å; F342-F474 HydrophobicContact CE2-CB 4.13Å; F342-F474 HydrophobicContact CZ-CB 3.5Å; F342-F474 VanDerWaalsContact CZ-CB 3.5Å; F342-A475 HydrophobicContact CE1-CB 3.97Å; F342-R478 VanDerWaalsContact CD2-NE 3.33Å
343	K	91.7	Very high	89.5	Confident	101 Å²	101	62.9 Å²	62.9	44%	0.439	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-55.4	-27.8	171.9	-75.2	-175.7	-178.4	167.1	0	113.6	T339 E340 F345 D346	T339-K343 WeakPolarHBondContact O-CG 3.16Å; T339-K343 PolarHBondContact O-N 2.98Å; E340-K343 PolarHBondContact O-N 3.2Å; E340-K343 WeakPolarHBondContact OE1-CD 3.36Å; E340-K343 WeakPolarHBondContact OE1-CE 3.4Å; E340-K343 IonicContact OE1-NZ 3.58Å; E340-K343 PolarHBondContact OE1-NZ 3.08Å; E340-K343 WeakPolarHBondContact OE2-CE 3.18Å; E340-K343 IonicContact OE2-NZ 2.95Å; E340-K343 PolarHBondContact OE2-NZ 3.34Å; K343-F345 PolarHBondContact O-N 2.84Å; K343-D346 VanDerWaalsContact O-CB 3.27Å; K343-D346 WeakPolarHBondContact O-CB 3.39Å; K343-D346 PolarHBondContact O-N 3.03Å; K343-D346 VanDerWaalsContact O-N 3.07Å
344	I	92.3	Very high	89.6	Confident	39 Å²	39	59.9 Å²	59.9	20%	0.2	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-60.6	-27.3	177.7	65.5	171.9	0	0	0	112.2	F342 D346 I353 R422 Y424 Y446	F342-I344 PolarHBondContact O-N 3.19Å; F342-I344 VanDerWaalsContact O-N 3.09Å; I344-D346 VanDerWaalsContact C-N 3.28Å; I344-I353 HydrophobicContact CB-CD1 4.4Å; I344-I353 HydrophobicContact CG1-CD1 4.36Å; I344-I353 WeakPolarHBondContact O-CD1 3.27Å; I344-R422 PolarHBondContact O-NH1 3.48Å; I344-Y424 HydrophobicContact CD1-CD2 3.58Å; I344-Y424 HydrophobicContact CD1-CE2 4.09Å; I344-Y446 HydrophobicContact CB-CD1 4.12Å; I344-Y446 HydrophobicContact CB-CE1 4.28Å; I344-Y446 HydrophobicContact CD1-CD1 4.43Å; I344-Y446 HydrophobicContact CD1-CG 4.15Å; I344-Y446 HydrophobicContact CG2-CD1 3.57Å; I344-Y446 HydrophobicContact CG2-CE1 3.85Å; I344-Y446 HydrophobicContact CG2-CG 4.32Å
345	F	92.3	Very high	89.7	Confident	14 Å²	14	57 Å²	57	6%	0.061	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-83.6	-2.5	-179.5	-57.1	-58.5	0	0	0	113.1	F342 K343 N347 Q348 I353 Y424 A475 R478 T479	F342-F345 HydrophobicContact CB-CD2 3.91Å; F342-F345 HydrophobicContact CD1-CD2 4Å; F342-F345 AromaticContact CD1-CE2 3.72Å; F342-F345 HydrophobicContact CD1-CE2 3.72Å; F342-F345 HydrophobicContact CE1-CE2 4.31Å; F342-F345 HydrophobicContact CG-CD2 4.09Å; F342-F345 HydrophobicContact CG-CE2 4.26Å; F342-F345 WeakPolarHBondContact O-CB 3.48Å; F342-F345 PolarHBondContact O-N 2.94Å; K343-F345 PolarHBondContact O-N 2.84Å; F345-N347 PolarHBondContact O-N 2.78Å; F345-Q348 HydrophobicContact CB-CG 4.23Å; F345-Q348 HydrophobicContact CD1-CG 4.43Å; F345-Q348 VanDerWaalsContact O-CG 3.23Å; F345-Q348 WeakPolarHBondContact O-CG 3.34Å; F345-Q348 PolarHBondContact O-N 3.21Å; F345-I353 HydrophobicContact CD1-CB 4.44Å; F345-I353 HydrophobicContact CD1-CD1 3.56Å; F345-I353 HydrophobicContact CE1-CB 4.33Å; F345-I353 HydrophobicContact CE1-CD1 3.94Å; F345-I353 HydrophobicContact CE1-CG2 4.1Å; F345-Y424 HydrophobicContact CZ-CD2 4.47Å; F345-A475 HydrophobicContact CE2-CB 4.14Å; F345-A475 HydrophobicContact CZ-CB 4.05Å; F345-A475 VanDerWaalsContact CZ-O 3.25Å; F345-A475 WeakPolarHBondContact CZ-O 3.13Å; F345-R478 HydrophobicContact CD2-CB 4.16Å; F345-R478 HydrophobicContact CE1-CB 4.47Å; F345-R478 HydrophobicContact CE2-CB 4.11Å; F345-R478 HydrophobicContact CG-CB 4.37Å; F345-R478 HydrophobicContact CZ-CB 4.26Å; F345-T479 HydrophobicContact CE1-CG2 3.98Å; F345-T479 HydrophobicContact CZ-CG2 4.35Å
346	D	86	Confident	89.7	Confident	100 Å²	100	53.1 Å²	53.1	54%	0.535	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	138.6	170.2	-67.1	-13	0	0	0	110.3	K343 I344 Q348	K343-D346 VanDerWaalsContact O-CB 3.27Å; K343-D346 WeakPolarHBondContact O-CB 3.39Å; K343-D346 PolarHBondContact O-N 3.03Å; K343-D346 VanDerWaalsContact O-N 3.07Å; I344-D346 VanDerWaalsContact C-N 3.28Å; D346-Q348 PolarHBondContact O-N 3.06Å
347	N	78	Confident	89.9	Confident	119 Å²	119	52 Å²	52	64%	0.636	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	33.1	179.6	-52.1	-53	0	0	0	114.3	F345 S349 D350 N351	F345-N347 PolarHBondContact O-N 2.78Å; N347-S349 PolarHBondContact O-N 3.25Å; N347-D350 PolarHBondContact O-N 3.31Å; N347-N351 PolarHBondContact O-N 3.1Å; N347-N351 VanDerWaalsContact O-N 3.12Å
348	Q	82.7	Confident	89.9	Confident	15 Å²	15	46.3 Å²	46.3	7%	0.07	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-33.2	176.1	-99.1	-179.6	-18.7	0	0	114.1	F345 D346 D350 N351 R478	F345-Q348 HydrophobicContact CB-CG 4.23Å; F345-Q348 HydrophobicContact CD1-CG 4.43Å; F345-Q348 VanDerWaalsContact O-CG 3.23Å; F345-Q348 WeakPolarHBondContact O-CG 3.34Å; F345-Q348 PolarHBondContact O-N 3.21Å; D346-Q348 PolarHBondContact O-N 3.06Å; Q348-D350 PolarHBondContact O-N 2.98Å; Q348-N351 CarbonylContact O-C 3.6Å; Q348-N351 PolarHBondContact O-N 3.37Å; Q348-R478 PolarHBondContact NE2-O 3.42Å
349	S	75.6	Confident	89.6	Confident	102 Å²	102	46 Å²	46	71%	0.713	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-38.4	175.9	-55.8	0	0	0	0	112.5	N347	N347-S349 PolarHBondContact O-N 3.25Å
350	D	76.7	Confident	88.8	Confident	84 Å²	84	44 Å²	44	45%	0.449	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-21.7	180	-69.8	-30.1	0	0	0	113.1	N347 Q348 R391	N347-D350 PolarHBondContact O-N 3.31Å; Q348-D350 PolarHBondContact O-N 2.98Å; D350-R391 PolarHBondContact O-NH2 3.33Å
351	N	85.7	Confident	87.6	Confident	39 Å²	39	40.9 Å²	40.9	21%	0.209	22%	0.217	C	C	.	.	S	Bend	trans	-141.8	87.5	-178.2	-62.4	-83.1	0	0	0	108.6	N347 Q348 R422	N347-N351 PolarHBondContact O-N 3.1Å; N347-N351 VanDerWaalsContact O-N 3.12Å; Q348-N351 CarbonylContact O-C 3.6Å; Q348-N351 PolarHBondContact O-N 3.37Å; N351-R422 VanDerWaalsContact O-CZ 3.25Å; N351-R422 PolarHBondContact O-NE 3.38Å; N351-R422 PolarHBondContact O-NH2 2.8Å
352	P	93.6	Very high	86.2	Confident	7 Å²	7	38.4 Å²	38.4	5%	0.045	20%	0.203	C	C	.	.			trans	-61.7	151.7	-178.7	23.2	-32.2	0	0	0	112	Y383 F384 I387 V419 N480	P352-Y383 HydrophobicContact CB-CE1 4.24Å; P352-F384 HydrophobicContact CG-CE1 4.2Å; P352-I387 HydrophobicContact CG-CG1 4.19Å; P352-I387 HydrophobicContact CG-CG2 4.13Å; P352-V419 HydrophobicContact CG-CG1 4.09Å; P352-N480 WeakPolarHBondContact CA-OD1 3.21Å; P352-N480 HydrophobicContact CB-CB 3.96Å
353	I	97.3	Very high	84.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.2	172.4	-63.9	174.1	0	0	0	108.5	I344 F345 R422 T479 N480	I344-I353 HydrophobicContact CB-CD1 4.4Å; I344-I353 HydrophobicContact CG1-CD1 4.36Å; I344-I353 WeakPolarHBondContact O-CD1 3.27Å; F345-I353 HydrophobicContact CD1-CB 4.44Å; F345-I353 HydrophobicContact CD1-CD1 3.56Å; F345-I353 HydrophobicContact CE1-CB 4.33Å; F345-I353 HydrophobicContact CE1-CD1 3.94Å; F345-I353 HydrophobicContact CE1-CG2 4.1Å; I353-R422 WeakPolarHBondContact CA-O 3.32Å; I353-R422 HydrophobicContact CB-CB 4.45Å; I353-R422 HydrophobicContact CG1-CB 3.74Å; I353-T479 HydrophobicContact CG2-CG2 4.16Å; I353-T479 WeakPolarHBondContact O-CB 3.47Å; I353-N480 PolarHBondContact N-OD1 2.88Å; I353-N480 PolarHBondContact O-N 3.18Å
354	V	98.7	Very high	83.1	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	129.1	170.7	-176.4	0	0	0	0	108.8	V380 Y383 F384 R422 V423 Y424 Y481 V483	V354-V380 HydrophobicContact CB-CG1 4.26Å; V354-V380 HydrophobicContact CB-CG2 4.45Å; V354-V380 HydrophobicContact CG1-CB 4.37Å; V354-V380 HydrophobicContact CG1-CG1 4.34Å; V354-V380 HydrophobicContact CG1-CG2 3.75Å; V354-V380 HydrophobicContact CG2-CG1 4.36Å; V354-Y383 HydrophobicContact CG2-CD1 3.39Å; V354-Y383 HydrophobicContact CG2-CE1 3.85Å; V354-Y383 HydrophobicContact CG2-CG 4.2Å; V354-F384 HydrophobicContact CB-CE2 4.44Å; V354-F384 HydrophobicContact CG2-CD2 4.38Å; V354-F384 HydrophobicContact CG2-CE2 3.69Å; V354-F384 HydrophobicContact CG2-CZ 3.76Å; V354-R422 PolarHBondContact N-O 2.93Å; V354-V423 CarbonylContact O-C 3.52Å; V354-V423 VanDerWaalsContact O-CA 3.25Å; V354-V423 WeakPolarHBondContact O-CA 3.44Å; V354-Y424 PolarHBondContact O-N 3.18Å; V354-Y481 CarbonylContact C-O 3.25Å; V354-Y481 WeakPolarHBondContact CA-O 3.41Å; V354-Y481 HydrophobicContact CG1-CD1 4.34Å; V354-Y481 WeakPolarHBondContact CG1-O 3.37Å; V354-V483 HydrophobicContact CG1-CG2 3.93Å
355	G	98.7	Very high	81.5	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	132.1	172.1	0	0	0	0	0	110.5	Y424 Y481 L482 V483	G355-Y424 CarbonylContact C-O 3.58Å; G355-Y424 WeakPolarHBondContact CA-O 3.32Å; G355-Y481 PolarHBondContact N-O 3.28Å; G355-L482 CarbonylContact O-C 3.59Å; G355-V483 PolarHBondContact O-N 3.4Å
356	I	98.7	Very high	79.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134	167.4	71.1	175.1	0	0	0	110.1	V358 L373 Y376 V380 V423 Y424 I425 A426 V483	I356-V358 HydrophobicContact CB-CG2 4.36Å; I356-V358 HydrophobicContact CD1-CG2 3.73Å; I356-V358 HydrophobicContact CG1-CG2 3.96Å; I356-L373 HydrophobicContact CD1-CD1 3.91Å; I356-Y376 HydrophobicContact CB-CD1 4.33Å; I356-V380 HydrophobicContact CG2-CG2 3.51Å; I356-V423 HydrophobicContact CD1-CG1 4.02Å; I356-V423 HydrophobicContact CG1-CG1 3.94Å; I356-V423 HydrophobicContact CG2-CG1 3.97Å; I356-Y424 PolarHBondContact N-O 3.5Å; I356-I425 HydrophobicContact CD1-CD1 4.19Å; I356-I425 HydrophobicContact CD1-CG1 3.86Å; I356-I425 HydrophobicContact CD1-CG2 4.4Å; I356-I425 HydrophobicContact CG1-CB 4.2Å; I356-I425 HydrophobicContact CG1-CG1 3.87Å; I356-I425 HydrophobicContact CG1-CG2 4.21Å; I356-A426 PolarHBondContact O-N 3.21Å; I356-V483 VanDerWaalsContact CA-O 3.27Å; I356-V483 WeakPolarHBondContact CA-O 3.23Å; I356-V483 HydrophobicContact CG2-CB 4.12Å
357	H	96.8	Very high	78.4	Confident	21 Å²	21	47 Å²	47	10%	0.097	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	102.4	170.7	171.8	-88.1	0	0	0	109.3	Y376 A426 L476 V483 C484 S488	H357-Y376 VanDerWaalsContact O-CE1 3.26Å; H357-Y376 WeakPolarHBondContact O-CE1 3.46Å; H357-Y376 PolarHBondContact O-OH 3.44Å; H357-A426 CarbonylContact C-O 3.56Å; H357-A426 VanDerWaalsContact CA-O 3.31Å; H357-A426 WeakPolarHBondContact CA-O 3.36Å; H357-L476 HydrophobicContact CB-CD1 3.94Å; H357-V483 PolarHBondContact N-O 3.16Å; H357-V483 VanDerWaalsContact N-O 3.13Å; H357-C484 HydrophobicContact CB-CB 3.74Å; H357-S488 PolarHBondContact CE1-OG 3.46Å; H357-S488 VanDerWaalsContact CE1-OG 3.31Å
358	V	93.1	Very high	77.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	117.2	-173.5	-175.2	0	0	0	0	109.8	I356 R360 L373 Y376 A426 T427 I432	I356-V358 HydrophobicContact CB-CG2 4.36Å; I356-V358 HydrophobicContact CD1-CG2 3.73Å; I356-V358 HydrophobicContact CG1-CG2 3.96Å; V358-R360 HydrophobicContact CG1-CG 4.35Å; V358-L373 HydrophobicContact CG2-CD1 4.44Å; V358-Y376 HydrophobicContact CB-CE2 4.35Å; V358-Y376 HydrophobicContact CG1-CD2 4.42Å; V358-Y376 HydrophobicContact CG1-CE2 3.92Å; V358-Y376 HydrophobicContact CG2-CD1 4.16Å; V358-Y376 HydrophobicContact CG2-CD2 4Å; V358-Y376 HydrophobicContact CG2-CE1 4.2Å; V358-Y376 HydrophobicContact CG2-CE2 4.06Å; V358-Y376 HydrophobicContact CG2-CG 4.07Å; V358-A426 PolarHBondContact N-O 3.11Å; V358-T427 VanDerWaalsContact O-CA 3.26Å; V358-T427 WeakPolarHBondContact O-CA 3.41Å; V358-T427 VanDerWaalsContact O-CB 3.31Å; V358-T427 WeakPolarHBondContact O-CB 2.92Å; V358-T427 PolarHBondContact O-OG1 3.18Å; V358-I432 HydrophobicContact CG1-CD1 3.72Å; V358-I432 HydrophobicContact CG1-CG1 4.17Å
359	R	84.4	Confident	77	Confident	12 Å²	12	45 Å²	45	5%	0.045	25%	0.252	C	S	.	.			trans	-104.8	113.7	-179.7	-171.9	-172.1	-168.8	167.8	12	109.8	D362 K363 E367 D428	R359-D362 WeakPolarHBondContact CD-O 3.26Å; R359-D362 HydrophobicContact CG-CB 4.27Å; R359-D362 IonicContact CZ-OD2 2.89Å; R359-D362 PolarHBondContact NE-O 3.11Å; R359-D362 IonicContact NE-OD2 2.62Å; R359-D362 PolarHBondContact NE-OD2 3.21Å; R359-D362 IonicContact NH2-OD2 2.86Å; R359-D362 PolarHBondContact NH2-OD2 2.69Å; R359-K363 VanDerWaalsContact NH2-CB 3.31Å; R359-K363 VanDerWaalsContact NH2-CG 3.27Å; R359-E367 IonicContact CZ-OE1 3.66Å; R359-E367 IonicContact NH1-OE1 3.63Å; R359-E367 PolarHBondContact NH1-OE1 3.25Å; R359-E367 IonicContact NH2-OE1 3.15Å; R359-E367 PolarHBondContact NH2-OE1 3.03Å; R359-D428 WeakPolarHBondContact CA-OD1 3.38Å
360	R	74.2	Confident	77.2	Confident	48 Å²	48	45.5 Å²	45.5	18%	0.181	24%	0.242	C	C	.	.	S	Bend	trans	-117.8	-29.3	-173.9	-96	-163.1	170.3	173.6	8.1	116.3	V358 I364 F370 D428 D429 I432 E435	V358-R360 HydrophobicContact CG1-CG 4.35Å; R360-I364 VanDerWaalsContact C-CD1 3.45Å; R360-I364 WeakPolarHBondContact O-CD1 3.34Å; R360-F370 HydrophobicContact CG-CE2 4.48Å; R360-D428 PolarHBondContact N-OD1 3.23Å; R360-D429 HydrophobicContact CB-CB 3.69Å; R360-D429 WeakPolarHBondContact CD-OD2 3.08Å; R360-D429 HydrophobicContact CG-CB 4.32Å; R360-D429 IonicContact CZ-OD2 2.62Å; R360-D429 IonicContact NE-OD2 3.19Å; R360-D429 IonicContact NH1-OD2 3.02Å; R360-D429 PolarHBondContact NH1-OD2 2.86Å; R360-D429 VanDerWaalsContact NH1-OD2 3.08Å; R360-I432 HydrophobicContact CG-CD1 4.36Å; R360-I432 VanDerWaalsContact NE-CD1 3.29Å; R360-E435 IonicContact CZ-OE2 2.74Å; R360-E435 VanDerWaalsContact CZ-OE2 3.32Å; R360-E435 IonicContact NH1-OE2 3.39Å; R360-E435 PolarHBondContact NH1-OE2 3.36Å; R360-E435 IonicContact NH2-OE1 2.8Å; R360-E435 IonicContact NH2-OE2 3.36Å; R360-E435 PolarHBondContact NH2-OE2 2.56Å
361	T	62.9	Low	77.7	Confident	65 Å²	65	42.3 Å²	42.3	40%	0.399	22%	0.224	S	C	.	.	S	Bend	trans	-114.4	-30.4	-174.4	69.8	0	0	0	0	112.1	D428	T361-D428 WeakPolarHBondContact CA-OD2 2.96Å; T361-D428 WeakPolarHBondContact CB-OD2 3.49Å; T361-D428 PolarHBondContact N-OD2 3.34Å; T361-D428 PolarHBondContact OG1-OD2 3.07Å
362	D	57.9	Low	78	Confident	15 Å²	15	41.9 Å²	41.9	8%	0.08	22%	0.224	C	C	.	.	S	Bend	trans	-85.4	125.9	-173.5	-174.5	57.2	0	0	0	113.4	R359 I364 D428 L457 R460	R359-D362 WeakPolarHBondContact CD-O 3.26Å; R359-D362 HydrophobicContact CG-CB 4.27Å; R359-D362 IonicContact CZ-OD2 2.89Å; R359-D362 PolarHBondContact NE-O 3.11Å; R359-D362 IonicContact NE-OD2 2.62Å; R359-D362 PolarHBondContact NE-OD2 3.21Å; R359-D362 IonicContact NH2-OD2 2.86Å; R359-D362 PolarHBondContact NH2-OD2 2.69Å; D362-I364 PolarHBondContact O-N 3.47Å; D362-D428 PolarHBondContact N-OD2 3.13Å; D362-L457 WeakPolarHBondContact OD1-CD2 3.35Å; D362-R460 IonicContact OD1-CZ 3.22Å; D362-R460 IonicContact OD1-NH1 2.75Å; D362-R460 PolarHBondContact OD1-NH1 3.45Å; D362-R460 IonicContact OD1-NH2 2.72Å; D362-R460 PolarHBondContact OD1-NH2 3.41Å; D362-R460 IonicContact OD2-CZ 3.79Å; D362-R460 IonicContact OD2-NH1 3.31Å; D362-R460 PolarHBondContact OD2-NH1 3.18Å; D362-R460 IonicContact OD2-NH2 3.48Å; D362-R460 PolarHBondContact OD2-NH2 3.45Å
363	K	60.3	Low	78.1	Confident	77 Å²	77	41.6 Å²	41.6	34%	0.335	22%	0.222	S	C	.	.	S	Bend	trans	50.6	23.4	171.3	-48	-169.8	-154.3	161.3	0	116.1	R359 N365 T366 E367 A368	R359-K363 VanDerWaalsContact NH2-CB 3.31Å; R359-K363 VanDerWaalsContact NH2-CG 3.27Å; K363-N365 PolarHBondContact O-N 2.99Å; K363-T366 VanDerWaalsContact CA-OG1 3.3Å; K363-T366 WeakPolarHBondContact CA-OG1 3.26Å; K363-T366 VanDerWaalsContact CB-OG1 3.32Å; K363-T366 WeakPolarHBondContact CB-OG1 3.49Å; K363-T366 PolarHBondContact O-N 3.4Å; K363-T366 PolarHBondContact O-OG1 2.91Å; K363-E367 HydrophobicContact CB-CB 3.73Å; K363-E367 HydrophobicContact CD-CB 3.83Å; K363-E367 HydrophobicContact CD-CG 4.34Å; K363-E367 WeakPolarHBondContact CD-OE2 3.23Å; K363-E367 WeakPolarHBondContact CE-OE2 3.35Å; K363-E367 HydrophobicContact CG-CB 4.46Å; K363-E367 VanDerWaalsContact NZ-CD 3.33Å; K363-E367 IonicContact NZ-OE1 2.64Å; K363-E367 PolarHBondContact NZ-OE1 3.47Å; K363-E367 IonicContact NZ-OE2 3.88Å; K363-E367 PolarHBondContact NZ-OE2 2.86Å; K363-E367 PolarHBondContact O-N 3.3Å; K363-A368 PolarHBondContact O-N 3Å; K363-A368 VanDerWaalsContact O-N 3.11Å
364	I	60.3	Low	78	Confident	36 Å²	36	47 Å²	47	19%	0.185	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-62.9	135.2	167.8	-60.8	-162.1	0	0	0	108.2	R360 D362 T366 A368 F370	R360-I364 VanDerWaalsContact C-CD1 3.45Å; R360-I364 WeakPolarHBondContact O-CD1 3.34Å; D362-I364 PolarHBondContact O-N 3.47Å; I364-T366 PolarHBondContact O-N 3.36Å; I364-A368 WeakPolarHBondContact CA-O 3.47Å; I364-F370 HydrophobicContact CD1-CB 4.25Å; I364-F370 HydrophobicContact CD1-CD2 3.99Å; I364-F370 HydrophobicContact CG2-CB 4.15Å
365	N	58.4	Low	77.8	Confident	149 Å²	149	50.7 Å²	50.7	80%	0.797	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	3.1	-174.4	-50.4	-45.4	0	0	0	115.6	K363 A368	K363-N365 PolarHBondContact O-N 2.99Å; N365-A368 PolarHBondContact N-O 3.18Å
366	T	56.2	Low	77.8	Confident	121 Å²	121	50.7 Å²	50.7	74%	0.742	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-51	171.5	61.1	0	0	0	0	112.2	K363 I364	K363-T366 VanDerWaalsContact CA-OG1 3.3Å; K363-T366 WeakPolarHBondContact CA-OG1 3.26Å; K363-T366 VanDerWaalsContact CB-OG1 3.32Å; K363-T366 WeakPolarHBondContact CB-OG1 3.49Å; K363-T366 PolarHBondContact O-N 3.4Å; K363-T366 PolarHBondContact O-OG1 2.91Å; I364-T366 PolarHBondContact O-N 3.36Å
367	E	57.1	Low	77.7	Confident	78 Å²	78	50.8 Å²	50.8	36%	0.364	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-33.6	-178.9	-174.8	179.1	99.3	0	0	111.8	R359 K363	R359-E367 IonicContact CZ-OE1 3.66Å; R359-E367 IonicContact NH1-OE1 3.63Å; R359-E367 PolarHBondContact NH1-OE1 3.25Å; R359-E367 IonicContact NH2-OE1 3.15Å; R359-E367 PolarHBondContact NH2-OE1 3.03Å; K363-E367 HydrophobicContact CB-CB 3.73Å; K363-E367 HydrophobicContact CD-CB 3.83Å; K363-E367 HydrophobicContact CD-CG 4.34Å; K363-E367 WeakPolarHBondContact CD-OE2 3.23Å; K363-E367 WeakPolarHBondContact CE-OE2 3.35Å; K363-E367 HydrophobicContact CG-CB 4.46Å; K363-E367 VanDerWaalsContact NZ-CD 3.33Å; K363-E367 IonicContact NZ-OE1 2.64Å; K363-E367 PolarHBondContact NZ-OE1 3.47Å; K363-E367 IonicContact NZ-OE2 3.88Å; K363-E367 PolarHBondContact NZ-OE2 2.86Å; K363-E367 PolarHBondContact O-N 3.3Å
368	A	57.9	Low	77.7	Confident	10 Å²	10	53.8 Å²	53.8	8%	0.083	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-129.1	155.3	-175.8	0	0	0	0	0	111.9	K363 I364 N365	K363-A368 PolarHBondContact O-N 3Å; K363-A368 VanDerWaalsContact O-N 3.11Å; I364-A368 WeakPolarHBondContact CA-O 3.47Å; N365-A368 PolarHBondContact N-O 3.18Å
369	S	71.7	Confident	77.8	Confident	82 Å²	82	54.8 Å²	54.8	57%	0.573	29%	0.29	S	S	*	.			trans	-86.8	153.4	168.2	-62.8	0	0	0	0	110.2	H371	S369-H371 PolarHBondContact O-CD2 3.48Å; S369-H371 VanDerWaalsContact O-CD2 3.31Å; S369-H371 PolarHBondContact O-N 3.26Å
370	F	80.8	Confident	78.5	Confident	111 Å²	111	54.2 Å²	54.2	49%	0.487	29%	0.288	S	S	.	.			trans	-67.4	126.3	169.9	174.3	-92	0	0	0	109.3	R360 I364	R360-F370 HydrophobicContact CG-CE2 4.48Å; I364-F370 HydrophobicContact CD1-CB 4.25Å; I364-F370 HydrophobicContact CD1-CD2 3.99Å; I364-F370 HydrophobicContact CG2-CB 4.15Å
371	H	87.1	Confident	79.6	Confident	17 Å²	17	54.3 Å²	54.3	8%	0.079	29%	0.29	C	S	.	.			trans	-115	129.4	168.9	-68.2	-81.4	0	0	0	109.2	S369 E375 Y376 L515	S369-H371 PolarHBondContact O-CD2 3.48Å; S369-H371 VanDerWaalsContact O-CD2 3.31Å; S369-H371 PolarHBondContact O-N 3.26Å; H371-E375 WeakPolarHBondContact CA-OE1 3.18Å; H371-E375 IonicContact CE1-OE2 3.24Å; H371-E375 IonicContact CG-OE2 3.02Å; H371-E375 IonicContact ND1-OE2 3.48Å; H371-E375 PolarHBondContact ND1-OE2 3.22Å; H371-Y376 HydrophobicContact CB-CE2 3.68Å; H371-L515 HydrophobicContact CB-CD1 4.1Å; H371-L515 PolarHBondContact CE1-O 2.72Å
372	S	91.9	Very high	81.1	Confident	31 Å²	31	52.5 Å²	52.5	22%	0.217	28%	0.28	C	S	.	.			trans	-68.7	152.5	176.3	65.2	0	0	0	0	110.7	E374 E375 Y376	S372-E374 PolarHBondContact O-N 3.14Å; S372-E374 VanDerWaalsContact O-N 3.14Å; S372-E375 PolarHBondContact N-OE1 3.11Å; S372-E375 PolarHBondContact O-N 3Å; S372-E375 VanDerWaalsContact O-N 3.11Å; S372-E375 WeakPolarHBondContact OG-CG 3.37Å; S372-E375 PolarHBondContact OG-N 3.2Å; S372-E375 PolarHBondContact OG-OE1 3.41Å; S372-Y376 VanDerWaalsContact O-CD2 3.26Å; S372-Y376 WeakPolarHBondContact O-CD2 3.24Å
373	L	95.2	Very high	83	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-56.2	-31.4	173	178	61.9	0	0	0	111.5	I356 V358 E375 Y376 M377 I432 E435 A436 Y440	I356-L373 HydrophobicContact CD1-CD1 3.91Å; V358-L373 HydrophobicContact CG2-CD1 4.44Å; L373-E375 VanDerWaalsContact C-N 3.33Å; L373-E375 PolarHBondContact O-N 3.31Å; L373-Y376 PolarHBondContact O-N 2.72Å; L373-M377 HydrophobicContact CD1-CG 4.04Å; L373-M377 HydrophobicContact CG-CG 4.07Å; L373-M377 WeakPolarHBondContact O-CB 3.45Å; L373-M377 VanDerWaalsContact O-CG 3.31Å; L373-M377 WeakPolarHBondContact O-CG 3.48Å; L373-M377 PolarHBondContact O-N 3.34Å; L373-I432 HydrophobicContact CB-CD1 4.46Å; L373-I432 HydrophobicContact CD1-CG2 4.37Å; L373-E435 HydrophobicContact CD2-CB 4.21Å; L373-E435 HydrophobicContact CD2-CG 3.89Å; L373-A436 HydrophobicContact CD2-CB 3.84Å; L373-Y440 HydrophobicContact CD2-CE2 4.22Å; L373-Y440 HydrophobicContact CG-CE2 4.3Å
374	E	96.3	Very high	84.7	Confident	115 Å²	115	49.4 Å²	49.4	54%	0.537	27%	0.265	S	S	.	.	H	α-helix	trans	-61.2	-37.6	178.2	-175	175.8	172	0	0	113.3	S372 M377 T378 Y440	S372-E374 PolarHBondContact O-N 3.14Å; S372-E374 VanDerWaalsContact O-N 3.14Å; E374-M377 PolarHBondContact O-N 3.48Å; E374-T378 WeakPolarHBondContact O-CB 3.3Å; E374-T378 PolarHBondContact O-N 3.44Å; E374-T378 PolarHBondContact O-OG1 3Å; E374-Y440 WeakPolarHBondContact CA-OH 3.41Å
375	E	94.1	Very high	86.3	Confident	76 Å²	76	52 Å²	52	36%	0.355	28%	0.276	S	S	.	.	H	α-helix	trans	-64.1	-45.5	175.5	-72.7	165	-97.1	0	0	111.6	H371 S372 L373 M377 T378 E379 L515	H371-E375 WeakPolarHBondContact CA-OE1 3.18Å; H371-E375 IonicContact CE1-OE2 3.24Å; H371-E375 IonicContact CG-OE2 3.02Å; H371-E375 IonicContact ND1-OE2 3.48Å; H371-E375 PolarHBondContact ND1-OE2 3.22Å; S372-E375 PolarHBondContact N-OE1 3.11Å; S372-E375 PolarHBondContact O-N 3Å; S372-E375 VanDerWaalsContact O-N 3.11Å; S372-E375 WeakPolarHBondContact OG-CG 3.37Å; S372-E375 PolarHBondContact OG-N 3.2Å; S372-E375 PolarHBondContact OG-OE1 3.41Å; L373-E375 VanDerWaalsContact C-N 3.33Å; L373-E375 PolarHBondContact O-N 3.31Å; E375-M377 VanDerWaalsContact C-N 3.34Å; E375-M377 PolarHBondContact O-N 3.44Å; E375-T378 PolarHBondContact O-N 3.3Å; E375-E379 PolarHBondContact O-N 3.43Å; E375-L515 HydrophobicContact CB-CD1 4.08Å
376	Y	97.9	Very high	88.1	Confident	1 Å²	1	45.7 Å²	45.7	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-59.6	-47.4	174.3	-66.3	-91.3	0	0	0	110.8	I356 H357 V358 H371 S372 L373 T378 E379 V380 V483 L515	I356-Y376 HydrophobicContact CB-CD1 4.33Å; H357-Y376 VanDerWaalsContact O-CE1 3.26Å; H357-Y376 WeakPolarHBondContact O-CE1 3.46Å; H357-Y376 PolarHBondContact O-OH 3.44Å; V358-Y376 HydrophobicContact CB-CE2 4.35Å; V358-Y376 HydrophobicContact CG1-CD2 4.42Å; V358-Y376 HydrophobicContact CG1-CE2 3.92Å; V358-Y376 HydrophobicContact CG2-CD1 4.16Å; V358-Y376 HydrophobicContact CG2-CD2 4Å; V358-Y376 HydrophobicContact CG2-CE1 4.2Å; V358-Y376 HydrophobicContact CG2-CE2 4.06Å; V358-Y376 HydrophobicContact CG2-CG 4.07Å; H371-Y376 HydrophobicContact CB-CE2 3.68Å; S372-Y376 VanDerWaalsContact O-CD2 3.26Å; S372-Y376 WeakPolarHBondContact O-CD2 3.24Å; L373-Y376 PolarHBondContact O-N 2.72Å; Y376-T378 VanDerWaalsContact C-N 3.3Å; Y376-T378 PolarHBondContact O-N 2.9Å; Y376-E379 PolarHBondContact O-N 3.48Å; Y376-V380 VanDerWaalsContact O-CG2 3.26Å; Y376-V380 WeakPolarHBondContact O-CG2 3.19Å; Y376-V380 PolarHBondContact O-N 3.08Å; Y376-V483 HydrophobicContact CD1-CG1 3.99Å; Y376-L515 HydrophobicContact CD1-CD1 3.65Å; Y376-L515 HydrophobicContact CD2-CD1 3.83Å; Y376-L515 HydrophobicContact CE1-CD1 3.61Å; Y376-L515 HydrophobicContact CE1-CG 4.45Å; Y376-L515 HydrophobicContact CE2-CD1 3.8Å; Y376-L515 HydrophobicContact CG-CD1 3.76Å
377	M	98.3	Very high	89.8	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-69.7	-26.5	-176.1	-69.4	-57.5	-57.4	0	0	113.3	L373 E374 E375 E379 V380 E381 V423 Y440 Y443 F445	L373-M377 HydrophobicContact CD1-CG 4.04Å; L373-M377 HydrophobicContact CG-CG 4.07Å; L373-M377 WeakPolarHBondContact O-CB 3.45Å; L373-M377 VanDerWaalsContact O-CG 3.31Å; L373-M377 WeakPolarHBondContact O-CG 3.48Å; L373-M377 PolarHBondContact O-N 3.34Å; E374-M377 PolarHBondContact O-N 3.48Å; E375-M377 VanDerWaalsContact C-N 3.34Å; E375-M377 PolarHBondContact O-N 3.44Å; M377-E379 VanDerWaalsContact C-N 3.32Å; M377-E379 PolarHBondContact O-N 3.2Å; M377-V380 HydrophobicContact CE-CB 4.33Å; M377-V380 HydrophobicContact CE-CG1 4.04Å; M377-V380 PolarHBondContact O-N 3.12Å; M377-V380 HydrophobicContact SD-CB 4.29Å; M377-V380 HydrophobicContact SD-CG1 4.4Å; M377-V380 HydrophobicContact SD-CG2 4.09Å; M377-E381 WeakPolarHBondContact O-CB 3.42Å; M377-E381 PolarHBondContact O-N 3.34Å; M377-V423 HydrophobicContact CE-CG2 4.46Å; M377-Y440 HydrophobicContact CB-CD1 4.37Å; M377-Y440 HydrophobicContact CB-CE1 3.7Å; M377-Y440 HydrophobicContact CB-CE2 3.96Å; M377-Y440 VanDerWaalsContact CB-CZ 3.48Å; M377-Y440 HydrophobicContact CE-CD1 4.02Å; M377-Y440 HydrophobicContact CE-CD2 4.33Å; M377-Y440 HydrophobicContact CE-CE1 4.45Å; M377-Y440 HydrophobicContact CE-CG 3.97Å; M377-Y440 HydrophobicContact CG-CD1 4.47Å; M377-Y440 HydrophobicContact CG-CD2 3.95Å; M377-Y440 HydrophobicContact CG-CE1 4.12Å; M377-Y440 HydrophobicContact CG-CE2 3.56Å; M377-Y440 HydrophobicContact CG-CG 4.41Å; M377-Y443 HydrophobicContact CE-CD1 3.75Å; M377-Y443 HydrophobicContact CE-CD2 4.34Å; M377-Y443 HydrophobicContact CE-CE1 3.7Å; M377-Y443 HydrophobicContact CE-CE2 4.24Å; M377-Y443 HydrophobicContact CE-CG 4.09Å; M377-F445 HydrophobicContact CE-CE1 4.12Å; M377-F445 HydrophobicContact CE-CZ 4.03Å; M377-F445 HydrophobicContact SD-CE1 4.01Å; M377-F445 HydrophobicContact SD-CZ 4.34Å
378	T	96	Very high	91.5	Very high	84 Å²	84	39 Å²	39	52%	0.515	20%	0.204	S	C	.	.	H	α-helix	trans	-60.8	-43	171.5	-63.2	0	0	0	0	111	E374 E375 Y376 S382	E374-T378 WeakPolarHBondContact O-CB 3.3Å; E374-T378 PolarHBondContact O-N 3.44Å; E374-T378 PolarHBondContact O-OG1 3Å; E375-T378 PolarHBondContact O-N 3.3Å; Y376-T378 VanDerWaalsContact C-N 3.3Å; Y376-T378 PolarHBondContact O-N 2.9Å; T378-S382 PolarHBondContact O-N 3.22Å
379	E	95.6	Very high	93.2	Very high	21 Å²	21	38.8 Å²	38.8	10%	0.098	20%	0.203	C	C	.	.	H	α-helix	trans	-78.1	-33.6	179.6	-60.4	-68	-170.6	0	0	112.4	K111 E375 Y376 M377 S382 Y383 V483 R513 L515	K111-E379 IonicContact NZ-OE2 3.1Å; K111-E379 PolarHBondContact NZ-OE2 3.08Å; E375-E379 PolarHBondContact O-N 3.43Å; Y376-E379 PolarHBondContact O-N 3.48Å; M377-E379 VanDerWaalsContact C-N 3.32Å; M377-E379 PolarHBondContact O-N 3.2Å; E379-S382 PolarHBondContact O-N 3.32Å; E379-Y383 PolarHBondContact O-N 2.9Å; E379-V483 HydrophobicContact CB-CG1 3.95Å; E379-V483 HydrophobicContact CB-CG2 4.17Å; E379-R513 HydrophobicContact CB-CG 3.88Å; E379-R513 HydrophobicContact CG-CG 3.66Å; E379-R513 IonicContact OE1-CZ 3.48Å; E379-R513 VanDerWaalsContact OE1-CZ 3.24Å; E379-R513 IonicContact OE1-NE 3.32Å; E379-R513 PolarHBondContact OE1-NE 3.39Å; E379-R513 IonicContact OE1-NH2 3.85Å; E379-R513 PolarHBondContact OE1-NH2 3.49Å; E379-R513 IonicContact OE2-NE 3.82Å; E379-L515 HydrophobicContact CG-CD2 4.09Å
380	V	98.6	Very high	94.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.5	-49.4	169.2	172.1	0	0	0	0	110.4	V354 I356 Y376 M377 Y383 F384 V423 Y443 V483	V354-V380 HydrophobicContact CB-CG1 4.26Å; V354-V380 HydrophobicContact CB-CG2 4.45Å; V354-V380 HydrophobicContact CG1-CB 4.37Å; V354-V380 HydrophobicContact CG1-CG1 4.34Å; V354-V380 HydrophobicContact CG1-CG2 3.75Å; V354-V380 HydrophobicContact CG2-CG1 4.36Å; I356-V380 HydrophobicContact CG2-CG2 3.51Å; Y376-V380 VanDerWaalsContact O-CG2 3.26Å; Y376-V380 WeakPolarHBondContact O-CG2 3.19Å; Y376-V380 PolarHBondContact O-N 3.08Å; M377-V380 HydrophobicContact CE-CB 4.33Å; M377-V380 HydrophobicContact CE-CG1 4.04Å; M377-V380 PolarHBondContact O-N 3.12Å; M377-V380 HydrophobicContact SD-CB 4.29Å; M377-V380 HydrophobicContact SD-CG1 4.4Å; M377-V380 HydrophobicContact SD-CG2 4.09Å; V380-Y383 WeakPolarHBondContact O-CB 3.31Å; V380-Y383 PolarHBondContact O-N 2.7Å; V380-F384 HydrophobicContact CG1-CD2 3.78Å; V380-F384 HydrophobicContact CG1-CE2 3.6Å; V380-F384 VanDerWaalsContact O-CD2 3.28Å; V380-F384 WeakPolarHBondContact O-CD2 3.36Å; V380-F384 PolarHBondContact O-N 2.98Å; V380-V423 HydrophobicContact CG1-CG2 3.68Å; V380-Y443 HydrophobicContact CG1-CD1 4.48Å; V380-Y443 HydrophobicContact CG1-CE1 3.92Å; V380-V483 HydrophobicContact CG2-CG2 4.19Å
381	E	97.3	Very high	94.5	Very high	50 Å²	50	32.6 Å²	32.6	23%	0.234	16%	0.164	C	C	.	.	H	α-helix	trans	-64	-42.2	179.3	176.7	54.8	-166.7	0	0	111.2	M377 Y383 F384 Q385 Y443	M377-E381 WeakPolarHBondContact O-CB 3.42Å; M377-E381 PolarHBondContact O-N 3.34Å; E381-Y383 VanDerWaalsContact C-N 3.26Å; E381-Y383 PolarHBondContact O-N 3.41Å; E381-F384 PolarHBondContact O-N 2.95Å; E381-F384 VanDerWaalsContact O-N 3.1Å; E381-Q385 HydrophobicContact CG-CG 4.43Å; E381-Q385 WeakPolarHBondContact O-CG 3.46Å; E381-Q385 PolarHBondContact O-N 3.37Å; E381-Q385 PolarHBondContact OE1-NE2 3.43Å; E381-Q385 VanDerWaalsContact OE1-NE2 3.1Å; E381-Y443 PolarHBondContact OE2-OH 2.87Å
382	S	94.7	Very high	94.5	Very high	26 Å²	26	36.8 Å²	36.8	18%	0.182	18%	0.184	C	C	.	.	H	α-helix	trans	-58.7	-37.7	175	-177.2	0	0	0	0	112.6	K111 T378 E379 F386	K111-S382 WeakPolarHBondContact CE-OG 3.3Å; K111-S382 PolarHBondContact NZ-OG 2.95Å; T378-S382 PolarHBondContact O-N 3.22Å; E379-S382 PolarHBondContact O-N 3.32Å; S382-F386 PolarHBondContact O-N 2.89Å; S382-F386 VanDerWaalsContact O-N 3.12Å
383	Y	96.5	Very high	94.3	Very high	27 Å²	27	37.1 Å²	37.1	11%	0.106	18%	0.183	C	C	.	.	H	α-helix	trans	-66.3	-44.3	173.9	177.5	-96.6	0	0	0	111.8	P352 V354 E379 V380 E381 Q385 F386 I387 N480 Y481	P352-Y383 HydrophobicContact CB-CE1 4.24Å; V354-Y383 HydrophobicContact CG2-CD1 3.39Å; V354-Y383 HydrophobicContact CG2-CE1 3.85Å; V354-Y383 HydrophobicContact CG2-CG 4.2Å; E379-Y383 PolarHBondContact O-N 2.9Å; V380-Y383 WeakPolarHBondContact O-CB 3.31Å; V380-Y383 PolarHBondContact O-N 2.7Å; E381-Y383 VanDerWaalsContact C-N 3.26Å; E381-Y383 PolarHBondContact O-N 3.41Å; Y383-Q385 VanDerWaalsContact C-N 3.33Å; Y383-Q385 PolarHBondContact O-N 3.37Å; Y383-F386 HydrophobicContact CD2-CD1 4.45Å; Y383-F386 HydrophobicContact CE2-CD1 4.42Å; Y383-F386 WeakPolarHBondContact O-CB 3.37Å; Y383-F386 PolarHBondContact O-N 2.77Å; Y383-F386 VanDerWaalsContact O-N 3.16Å; Y383-I387 HydrophobicContact CD1-CG1 4.08Å; Y383-I387 HydrophobicContact CE1-CD1 4.03Å; Y383-I387 HydrophobicContact CE1-CG1 3.65Å; Y383-I387 HydrophobicContact CE2-CD1 4.28Å; Y383-I387 WeakPolarHBondContact O-CG1 3.28Å; Y383-I387 PolarHBondContact O-N 3.22Å; Y383-N480 WeakPolarHBondContact OH-CB 3.38Å; Y383-N480 PolarHBondContact OH-O 2.84Å; Y383-Y481 AromaticContact CD2-CD1 3.76Å; Y383-Y481 HydrophobicContact CD2-CD1 3.76Å; Y383-Y481 AromaticContact CD2-CD2 3.55Å; Y383-Y481 HydrophobicContact CD2-CD2 3.55Å; Y383-Y481 HydrophobicContact CD2-CE1 4.29Å; Y383-Y481 HydrophobicContact CD2-CE2 4.14Å; Y383-Y481 AromaticContact CD2-CG 3.36Å; Y383-Y481 HydrophobicContact CD2-CG 3.36Å; Y383-Y481 HydrophobicContact CE2-CD1 4.5Å; Y383-Y481 AromaticContact CE2-CD2 3.67Å; Y383-Y481 HydrophobicContact CE2-CD2 3.67Å; Y383-Y481 AromaticContact CE2-CG 3.67Å; Y383-Y481 HydrophobicContact CE2-CG 3.67Å; Y383-Y481 AromaticContact CG-CD1 3.86Å; Y383-Y481 HydrophobicContact CG-CD1 3.86Å; Y383-Y481 HydrophobicContact CG-CD2 4.43Å; Y383-Y481 AromaticContact CG-CG 3.81Å; Y383-Y481 HydrophobicContact CG-CG 3.81Å
384	F	96.5	Very high	93.9	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	18%	0.183	C	C	.	.	H	α-helix	trans	-64.6	-36.7	177.5	-78.3	-64	0	0	0	112.7	P352 V354 V380 E381 F386 I387 D388 V419 R421 R422 V423 Y443	P352-F384 HydrophobicContact CG-CE1 4.2Å; V354-F384 HydrophobicContact CB-CE2 4.44Å; V354-F384 HydrophobicContact CG2-CD2 4.38Å; V354-F384 HydrophobicContact CG2-CE2 3.69Å; V354-F384 HydrophobicContact CG2-CZ 3.76Å; V380-F384 HydrophobicContact CG1-CD2 3.78Å; V380-F384 HydrophobicContact CG1-CE2 3.6Å; V380-F384 VanDerWaalsContact O-CD2 3.28Å; V380-F384 WeakPolarHBondContact O-CD2 3.36Å; V380-F384 PolarHBondContact O-N 2.98Å; E381-F384 PolarHBondContact O-N 2.95Å; E381-F384 VanDerWaalsContact O-N 3.1Å; F384-F386 VanDerWaalsContact C-N 3.31Å; F384-F386 PolarHBondContact O-N 2.8Å; F384-I387 WeakPolarHBondContact O-CB 3.32Å; F384-I387 PolarHBondContact O-N 2.8Å; F384-I387 VanDerWaalsContact O-N 3.08Å; F384-D388 PolarHBondContact O-N 3.44Å; F384-V419 HydrophobicContact CD1-CG1 4.07Å; F384-V419 HydrophobicContact CE1-CG1 4.17Å; F384-R421 HydrophobicContact CD1-CG 4.4Å; F384-R421 HydrophobicContact CD2-CB 4.34Å; F384-R421 HydrophobicContact CD2-CG 4.3Å; F384-R421 HydrophobicContact CE2-CB 4.18Å; F384-R421 HydrophobicContact CG-CG 4.21Å; F384-R421 HydrophobicContact CZ-CB 4.35Å; F384-R422 WeakPolarHBondContact CZ-O 3.42Å; F384-V423 HydrophobicContact CE2-CG2 4.42Å; F384-Y443 AromaticContact CD2-CE1 3.99Å; F384-Y443 HydrophobicContact CD2-CE1 3.99Å; F384-Y443 HydrophobicContact CE2-CD1 4.44Å; F384-Y443 HydrophobicContact CE2-CE1 4.1Å
385	Q	95.1	Very high	93.3	Very high	89 Å²	89	34 Å²	34	42%	0.416	17%	0.173	S	C	.	.	H	α-helix	trans	-60	-41.2	171.6	-71.2	171.7	-4.3	0	0	111.9	E381 Y383 I387 D388 A389	E381-Q385 HydrophobicContact CG-CG 4.43Å; E381-Q385 WeakPolarHBondContact O-CG 3.46Å; E381-Q385 PolarHBondContact O-N 3.37Å; E381-Q385 PolarHBondContact OE1-NE2 3.43Å; E381-Q385 VanDerWaalsContact OE1-NE2 3.1Å; Y383-Q385 VanDerWaalsContact C-N 3.33Å; Y383-Q385 PolarHBondContact O-N 3.37Å; Q385-I387 VanDerWaalsContact C-N 3.35Å; Q385-D388 PolarHBondContact O-N 3.08Å; Q385-A389 WeakPolarHBondContact O-CB 3.23Å; Q385-A389 PolarHBondContact O-N 3.38Å
386	F	94.7	Very high	92.9	Very high	17 Å²	17	37.5 Å²	37.5	8%	0.075	18%	0.183	C	C	.	.	H	α-helix	trans	-60.8	-42.2	171.2	165.3	-108.9	0	0	0	112.3	L155 H158 V159 D162 S382 Y383 F384 K390	L155-F386 HydrophobicContact CD1-CB 3.94Å; L155-F386 HydrophobicContact CD1-CD2 4.48Å; H158-F386 AromaticContact CD2-CD2 3.29Å; H158-F386 WeakPolarHBondContact CD2-CD2 3.36Å; H158-F386 AromaticContact CD2-CE2 3.25Å; H158-F386 WeakPolarHBondContact CD2-CE2 3.41Å; H158-F386 AromaticContact CD2-CG 3.96Å; H158-F386 AromaticContact CD2-CZ 3.94Å; H158-F386 AromaticContact NE2-CE2 3.74Å; H158-F386 AromaticContact NE2-CZ 3.93Å; V159-F386 HydrophobicContact CB-CE2 4.36Å; V159-F386 HydrophobicContact CG2-CD2 3.67Å; V159-F386 HydrophobicContact CG2-CE2 3.66Å; D162-F386 HydrophobicContact CB-CZ 4.16Å; S382-F386 PolarHBondContact O-N 2.89Å; S382-F386 VanDerWaalsContact O-N 3.12Å; Y383-F386 HydrophobicContact CD2-CD1 4.45Å; Y383-F386 HydrophobicContact CE2-CD1 4.42Å; Y383-F386 WeakPolarHBondContact O-CB 3.37Å; Y383-F386 PolarHBondContact O-N 2.77Å; Y383-F386 VanDerWaalsContact O-N 3.16Å; F384-F386 VanDerWaalsContact C-N 3.31Å; F384-F386 PolarHBondContact O-N 2.8Å; F386-K390 HydrophobicContact CE1-CD 4.11Å; F386-K390 HydrophobicContact CE2-CD 4.4Å; F386-K390 HydrophobicContact CZ-CD 3.85Å; F386-K390 WeakPolarHBondContact O-CB 3.47Å; F386-K390 PolarHBondContact O-N 3.46Å
387	I	93.3	Very high	92.1	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.036	20%	0.204	C	C	.	.	H	α-helix	trans	-63.9	-42.1	176.2	-62.1	-57.6	0	0	0	111.7	P352 Y383 F384 Q385 K390 R391 V419	P352-I387 HydrophobicContact CG-CG1 4.19Å; P352-I387 HydrophobicContact CG-CG2 4.13Å; Y383-I387 HydrophobicContact CD1-CG1 4.08Å; Y383-I387 HydrophobicContact CE1-CD1 4.03Å; Y383-I387 HydrophobicContact CE1-CG1 3.65Å; Y383-I387 HydrophobicContact CE2-CD1 4.28Å; Y383-I387 WeakPolarHBondContact O-CG1 3.28Å; Y383-I387 PolarHBondContact O-N 3.22Å; F384-I387 WeakPolarHBondContact O-CB 3.32Å; F384-I387 PolarHBondContact O-N 2.8Å; F384-I387 VanDerWaalsContact O-N 3.08Å; Q385-I387 VanDerWaalsContact C-N 3.35Å; I387-K390 PolarHBondContact O-N 3.19Å; I387-R391 WeakPolarHBondContact O-CG 3.24Å; I387-R391 PolarHBondContact O-N 3.47Å; I387-V419 HydrophobicContact CG2-CG1 4.26Å; I387-V419 HydrophobicContact CG2-CG2 3.79Å
388	D	92.4	Very high	91.5	Very high	51 Å²	51	48.8 Å²	48.8	27%	0.273	24%	0.238	S	C	.	.	H	α-helix	trans	-64.1	-49.1	179.3	-75.2	-20.8	0	0	0	111.1	F384 Q385 K390 R391 Q392 V419 R421	F384-D388 PolarHBondContact O-N 3.44Å; Q385-D388 PolarHBondContact O-N 3.08Å; D388-K390 VanDerWaalsContact C-N 3.34Å; D388-K390 PolarHBondContact O-N 3.16Å; D388-R391 PolarHBondContact O-N 2.88Å; D388-Q392 PolarHBondContact O-N 2.9Å; D388-V419 WeakPolarHBondContact OD1-CG2 3.28Å; D388-R421 IonicContact OD2-NH2 2.78Å; D388-R421 PolarHBondContact OD2-NH2 3.05Å
389	A	92.5	Very high	91.1	Very high	7 Å²	7	49 Å²	49	6%	0.058	23%	0.234	C	C	.	.	H	α-helix	trans	-60.3	-43.9	175.2	0	0	0	0	0	111.8	L155 V159 Q385 R391 Q392 M393	L155-A389 HydrophobicContact CD2-CB 3.9Å; L155-A389 HydrophobicContact CG-CB 4.05Å; V159-A389 HydrophobicContact CG2-CB 4.2Å; Q385-A389 WeakPolarHBondContact O-CB 3.23Å; Q385-A389 PolarHBondContact O-N 3.38Å; A389-R391 PolarHBondContact O-N 3.43Å; A389-Q392 WeakPolarHBondContact O-CB 3.34Å; A389-Q392 PolarHBondContact O-N 3.3Å; A389-Q392 VanDerWaalsContact O-N 3.16Å; A389-M393 WeakPolarHBondContact O-CG 3.35Å; A389-M393 PolarHBondContact O-N 2.81Å
390	K	91.8	Very high	90.6	Very high	35 Å²	35	48.9 Å²	48.9	15%	0.152	23%	0.232	C	C	.	.	H	α-helix	trans	-57.8	-47.9	175.9	-175.8	170.9	77.5	178.4	0	111.7	V159 F386 I387 D388 Q392 M393 M394	V159-K390 HydrophobicContact CG1-CB 4.15Å; V159-K390 HydrophobicContact CG1-CG 4.22Å; V159-K390 HydrophobicContact CG2-CB 4.03Å; F386-K390 HydrophobicContact CE1-CD 4.11Å; F386-K390 HydrophobicContact CE2-CD 4.4Å; F386-K390 HydrophobicContact CZ-CD 3.85Å; F386-K390 WeakPolarHBondContact O-CB 3.47Å; F386-K390 PolarHBondContact O-N 3.46Å; I387-K390 PolarHBondContact O-N 3.19Å; D388-K390 VanDerWaalsContact C-N 3.34Å; D388-K390 PolarHBondContact O-N 3.16Å; K390-Q392 VanDerWaalsContact C-N 3.31Å; K390-Q392 PolarHBondContact O-N 2.88Å; K390-M393 PolarHBondContact O-N 3.24Å; K390-M394 HydrophobicContact CD-SD 4.31Å; K390-M394 HydrophobicContact CG-CG 4.26Å; K390-M394 HydrophobicContact CG-SD 3.57Å; K390-M394 VanDerWaalsContact CG-SD 3.57Å; K390-M394 WeakPolarHBondContact O-CB 3.44Å; K390-M394 WeakPolarHBondContact O-CG 3.45Å; K390-M394 PolarHBondContact O-N 3.03Å
391	R	88.2	Confident	89.9	Confident	27 Å²	27	56.1 Å²	56.1	10%	0.102	26%	0.26	C	S	.	.	H	α-helix	trans	-60.8	-40.8	175.9	-77	-176.9	173.3	-163.3	-0.9	112.1	D350 I387 D388 A389 M394 S395 F408 Y413	D350-R391 PolarHBondContact O-NH2 3.33Å; I387-R391 WeakPolarHBondContact O-CG 3.24Å; I387-R391 PolarHBondContact O-N 3.47Å; D388-R391 PolarHBondContact O-N 2.88Å; A389-R391 PolarHBondContact O-N 3.43Å; R391-M394 PolarHBondContact O-N 2.87Å; R391-S395 PolarHBondContact O-N 2.85Å; R391-F408 HydrophobicContact CB-CZ 4.34Å; R391-F408 WeakPolarHBondContact O-CE2 3.4Å; R391-F408 WeakPolarHBondContact O-CZ 3.32Å; R391-Y413 HydrophobicContact CB-CE2 4.16Å; R391-Y413 WeakPolarHBondContact O-CD2 3.27Å; R391-Y413 WeakPolarHBondContact O-CE2 3.38Å
392	Q	87.7	Confident	89.3	Confident	106 Å²	106	59 Å²	59	50%	0.495	28%	0.276	S	S	.	.	H	α-helix	trans	-61.3	-48	177.6	-172.8	179.5	-4.1	0	0	111.9	D388 A389 K390 S395 Y413	D388-Q392 PolarHBondContact O-N 2.9Å; A389-Q392 WeakPolarHBondContact O-CB 3.34Å; A389-Q392 PolarHBondContact O-N 3.3Å; A389-Q392 VanDerWaalsContact O-N 3.16Å; K390-Q392 VanDerWaalsContact C-N 3.31Å; K390-Q392 PolarHBondContact O-N 2.88Å; Q392-S395 VanDerWaalsContact O-CB 3.25Å; Q392-S395 WeakPolarHBondContact O-CB 3.19Å; Q392-S395 PolarHBondContact O-N 3.45Å; Q392-S395 PolarHBondContact O-OG 3.05Å; Q392-Y413 VanDerWaalsContact CA-CE2 3.44Å; Q392-Y413 HydrophobicContact CB-CE2 4.23Å
393	M	88.6	Confident	88.9	Confident	37 Å²	37	58.1 Å²	58.1	18%	0.182	27%	0.27	C	S	.	.	H	α-helix	trans	-69.1	-37.5	179	-65.1	179.7	73.2	0	0	112.4	H156 V159 D160 A389 K390 S395 R396 W400	H156-M393 HydrophobicContact CB-SD 4.01Å; H156-M393 PolarHBondContact CD2-SD 3.43Å; V159-M393 HydrophobicContact CB-SD 3.71Å; V159-M393 HydrophobicContact CG1-CB 4.11Å; V159-M393 HydrophobicContact CG1-CE 4.31Å; V159-M393 HydrophobicContact CG1-CG 4.31Å; V159-M393 HydrophobicContact CG1-SD 3.46Å; V159-M393 WeakPolarHBondContact CG1-SD 3.29Å; V159-M393 HydrophobicContact CG2-SD 4.3Å; D160-M393 VanDerWaalsContact CG-CE 3.49Å; D160-M393 WeakPolarHBondContact OD1-CE 3.2Å; A389-M393 WeakPolarHBondContact O-CG 3.35Å; A389-M393 PolarHBondContact O-N 2.81Å; K390-M393 PolarHBondContact O-N 3.24Å; M393-S395 PolarHBondContact O-N 3.27Å; M393-S395 VanDerWaalsContact O-N 3.16Å; M393-R396 WeakPolarHBondContact O-CB 3.38Å; M393-R396 PolarHBondContact O-N 3.18Å; M393-R396 VanDerWaalsContact O-N 3.1Å; M393-W400 HydrophobicContact CB-CZ2 4.25Å; M393-W400 PolarHBondContact O-NE1 2.74Å
394	M	86.9	Confident	88.4	Confident	3 Å²	3	59.3 Å²	59.3	2%	0.015	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-15.6	176.7	-73.2	179.8	78.6	0	0	114.4	K390 R391 R396 W400 D403 S406 F408	K390-M394 HydrophobicContact CD-SD 4.31Å; K390-M394 HydrophobicContact CG-CG 4.26Å; K390-M394 HydrophobicContact CG-SD 3.57Å; K390-M394 VanDerWaalsContact CG-SD 3.57Å; K390-M394 WeakPolarHBondContact O-CB 3.44Å; K390-M394 WeakPolarHBondContact O-CG 3.45Å; K390-M394 PolarHBondContact O-N 3.03Å; R391-M394 PolarHBondContact O-N 2.87Å; M394-R396 PolarHBondContact O-N 2.03Å; M394-R396 VanDerWaalsContact O-N 3.17Å; M394-W400 HydrophobicContact CB-CD2 4.27Å; M394-W400 HydrophobicContact CB-CG 4.33Å; M394-W400 HydrophobicContact CE-CD2 4.46Å; M394-W400 HydrophobicContact CE-CE3 4.06Å; M394-W400 HydrophobicContact CG-CD2 3.44Å; M394-W400 VanDerWaalsContact CG-CD2 3.44Å; M394-W400 VanDerWaalsContact CG-CE2 3.45Å; M394-W400 HydrophobicContact CG-CE3 3.65Å; M394-W400 HydrophobicContact CG-CG 3.98Å; M394-W400 HydrophobicContact CG-CH2 3.88Å; M394-W400 HydrophobicContact CG-CZ2 3.68Å; M394-W400 HydrophobicContact CG-CZ3 3.87Å; M394-W400 HydrophobicContact SD-CE3 4.24Å; M394-W400 HydrophobicContact SD-CZ3 4.24Å; M394-D403 WeakPolarHBondContact CE-OD2 3.11Å; M394-S406 VanDerWaalsContact CE-CA 3.46Å; M394-F408 HydrophobicContact CB-CD2 3.68Å; M394-F408 HydrophobicContact CB-CE2 3.41Å; M394-F408 VanDerWaalsContact CB-CE2 3.41Å; M394-F408 HydrophobicContact CB-CZ 4.48Å; M394-F408 WeakPolarHBondContact O-CD2 3.4Å
395	S	83.4	Confident	87.8	Confident	46 Å²	46	62.6 Å²	62.6	32%	0.322	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-24.8	170.2	72.5	0	0	0	0	113.2	R391 Q392 M393 T397	R391-S395 PolarHBondContact O-N 2.85Å; Q392-S395 VanDerWaalsContact O-CB 3.25Å; Q392-S395 WeakPolarHBondContact O-CB 3.19Å; Q392-S395 PolarHBondContact O-N 3.45Å; Q392-S395 PolarHBondContact O-OG 3.05Å; M393-S395 PolarHBondContact O-N 3.27Å; M393-S395 VanDerWaalsContact O-N 3.16Å; S395-T397 PolarHBondContact O-N 3.13Å
396	R	84.8	Confident	87.1	Confident	150 Å²	150	59.2 Å²	59.2	57%	0.566	28%	0.278	S	S	*	.			trans	-80.6	64.9	174	-58.4	179.3	75.2	-158	3.1	109.9	M393 M394 K398 E399	M393-R396 WeakPolarHBondContact O-CB 3.38Å; M393-R396 PolarHBondContact O-N 3.18Å; M393-R396 VanDerWaalsContact O-N 3.1Å; M394-R396 PolarHBondContact O-N 2.03Å; M394-R396 VanDerWaalsContact O-N 3.17Å; R396-K398 PolarHBondContact O-N 3.42Å; R396-E399 WeakPolarHBondContact CB-OE2 3.43Å; R396-E399 WeakPolarHBondContact CD-OE2 3.41Å; R396-E399 IonicContact CZ-OE1 2.76Å; R396-E399 IonicContact CZ-OE2 3.94Å; R396-E399 IonicContact NE-OE1 3.31Å; R396-E399 PolarHBondContact NE-OE1 3.08Å; R396-E399 IonicContact NE-OE2 3.85Å; R396-E399 PolarHBondContact NE-OE2 3.26Å; R396-E399 IonicContact NH1-OE1 3.99Å; R396-E399 PolarHBondContact NH1-OE1 3.38Å; R396-E399 VanDerWaalsContact NH1-OE1 3.15Å; R396-E399 IonicContact NH1-OE2 3.77Å; R396-E399 PolarHBondContact NH1-OE2 3.34Å; R396-E399 IonicContact NH2-OE1 3.34Å; R396-E399 PolarHBondContact NH2-OE1 3.29Å; R396-E399 IonicContact NH2-OE2 3.71Å; R396-E399 WeakPolarHBondContact O-CB 3.19Å; R396-E399 PolarHBondContact O-N 3.37Å
397	T	82.3	Confident	86.2	Confident	72 Å²	72	59.7 Å²	59.7	44%	0.442	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-26.4	-168.7	57.8	0	0	0	0	115.5	S395 E399 W400 F408	S395-T397 PolarHBondContact O-N 3.13Å; T397-E399 PolarHBondContact O-N 2.98Å; T397-W400 PolarHBondContact O-N 3.31Å; T397-F408 HydrophobicContact CG2-CB 3.77Å
398	K	85.3	Confident	85	Confident	168 Å²	168	59.8 Å²	59.8	73%	0.73	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-22	175.4	-67.2	-176.3	-178.6	177.3	0	114.5	R396 R401	R396-K398 PolarHBondContact O-N 3.42Å; K398-R401 WeakPolarHBondContact O-CG 3.42Å; K398-R401 PolarHBondContact O-NE 3.26Å
399	E	86.1	Confident	83.5	Confident	90 Å²	90	65.3 Å²	65.3	42%	0.421	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-18.8	178.4	-70.2	158.1	-163.1	0	0	111.9	R396 T397	R396-E399 WeakPolarHBondContact CB-OE2 3.43Å; R396-E399 WeakPolarHBondContact CD-OE2 3.41Å; R396-E399 IonicContact CZ-OE1 2.76Å; R396-E399 IonicContact CZ-OE2 3.94Å; R396-E399 IonicContact NE-OE1 3.31Å; R396-E399 PolarHBondContact NE-OE1 3.08Å; R396-E399 IonicContact NE-OE2 3.85Å; R396-E399 PolarHBondContact NE-OE2 3.26Å; R396-E399 IonicContact NH1-OE1 3.99Å; R396-E399 PolarHBondContact NH1-OE1 3.38Å; R396-E399 VanDerWaalsContact NH1-OE1 3.15Å; R396-E399 IonicContact NH1-OE2 3.77Å; R396-E399 PolarHBondContact NH1-OE2 3.34Å; R396-E399 IonicContact NH2-OE1 3.34Å; R396-E399 PolarHBondContact NH2-OE1 3.29Å; R396-E399 IonicContact NH2-OE2 3.71Å; R396-E399 WeakPolarHBondContact O-CB 3.19Å; R396-E399 PolarHBondContact O-N 3.37Å; T397-E399 PolarHBondContact O-N 2.98Å
400	W	87.2	Confident	81.7	Confident	17 Å²	17	73.6 Å²	73.6	6%	0.064	34%	0.337	C	S	.	.	S	Bend	trans	-110	41.8	-175.4	-63.1	84.3	0	0	0	111.9	V159 V167 M393 M394 T397	V159-W400 HydrophobicContact CG1-CH2 3.87Å; V159-W400 HydrophobicContact CG1-CZ2 3.93Å; V167-W400 HydrophobicContact CG1-CB 4.47Å; V167-W400 HydrophobicContact CG1-CD2 4.45Å; V167-W400 HydrophobicContact CG1-CE3 3.96Å; M393-W400 HydrophobicContact CB-CZ2 4.25Å; M393-W400 PolarHBondContact O-NE1 2.74Å; M394-W400 HydrophobicContact CB-CD2 4.27Å; M394-W400 HydrophobicContact CB-CG 4.33Å; M394-W400 HydrophobicContact CE-CD2 4.46Å; M394-W400 HydrophobicContact CE-CE3 4.06Å; M394-W400 HydrophobicContact CG-CD2 3.44Å; M394-W400 VanDerWaalsContact CG-CD2 3.44Å; M394-W400 VanDerWaalsContact CG-CE2 3.45Å; M394-W400 HydrophobicContact CG-CE3 3.65Å; M394-W400 HydrophobicContact CG-CG 3.98Å; M394-W400 HydrophobicContact CG-CH2 3.88Å; M394-W400 HydrophobicContact CG-CZ2 3.68Å; M394-W400 HydrophobicContact CG-CZ3 3.87Å; M394-W400 HydrophobicContact SD-CE3 4.24Å; M394-W400 HydrophobicContact SD-CZ3 4.24Å; T397-W400 PolarHBondContact O-N 3.31Å
401	R	83.5	Confident	80.1	Confident	153 Å²	153	76 Å²	76	58%	0.577	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	140.6	-175.6	-61.9	-176.8	-167.6	179.1	1.9	110.4	V167 D168 K398 D403	V167-R401 CarbonylContact C-O 3.58Å; V167-R401 WeakPolarHBondContact CA-O 3.34Å; D168-R401 PolarHBondContact N-O 3.17Å; K398-R401 WeakPolarHBondContact O-CG 3.42Å; K398-R401 PolarHBondContact O-NE 3.26Å; R401-D403 PolarHBondContact O-N 3.19Å
402	N	83.9	Confident	78.7	Confident	110 Å²	110	78.9 Å²	78.9	59%	0.588	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	24	176.4	-56.7	-20.6	0	0	0	114.4	I404	N402-I404 PolarHBondContact O-N 3Å
403	D	87.1	Confident	77.3	Confident	8 Å²	8	77.4 Å²	77.4	4%	0.043	36%	0.362	C	S	.	.			trans	-78.6	102.3	168	175.7	10.4	0	0	0	109	R166 M394 R401 K405 S406	R166-D403 IonicContact CZ-OD2 3.08Å; R166-D403 IonicContact NH1-OD1 3.87Å; R166-D403 PolarHBondContact NH1-OD1 2.92Å; R166-D403 IonicContact NH1-OD2 3.17Å; R166-D403 PolarHBondContact NH1-OD2 2.81Å; R166-D403 IonicContact NH2-OD2 2.8Å; M394-D403 WeakPolarHBondContact CE-OD2 3.11Å; R401-D403 PolarHBondContact O-N 3.19Å; D403-K405 PolarHBondContact O-N 3.47Å; D403-K405 VanDerWaalsContact O-N 3.16Å; D403-K405 PolarHBondContact OD1-N 2.96Å; D403-S406 VanDerWaalsContact O-CB 3.28Å; D403-S406 WeakPolarHBondContact O-CB 3.35Å; D403-S406 PolarHBondContact O-N 3.1Å
404	I	84.6	Confident	76	Confident	52 Å²	52	83.9 Å²	83.9	27%	0.267	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-20.3	-177.9	58.5	163.1	0	0	0	113.5	L171 E172 I175 N402 R409	L171-I404 HydrophobicContact CD2-CG1 4.03Å; L171-I404 HydrophobicContact CG-CD1 4.42Å; L171-I404 HydrophobicContact CG-CG1 4.28Å; E172-I404 HydrophobicContact CB-CD1 3.79Å; E172-I404 HydrophobicContact CB-CG1 4.32Å; E172-I404 HydrophobicContact CB-CG2 4.08Å; E172-I404 HydrophobicContact CG-CD1 4.19Å; E172-I404 HydrophobicContact CG-CG2 4.43Å; I175-I404 HydrophobicContact CD1-CD1 4.16Å; N402-I404 PolarHBondContact O-N 3Å; I404-R409 PolarHBondContact O-NH2 2.83Å
405	K	84.3	Confident	74.9	Confident	70 Å²	70	90.1 Å²	90.1	30%	0.304	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	7.3	176.3	-68.3	-164.7	-174.1	-177.1	0	113.4	L171 D403 E504 L505	L171-K405 HydrophobicContact CD2-CB 4.15Å; L171-K405 HydrophobicContact CD2-CD 3.78Å; L171-K405 HydrophobicContact CD2-CG 3.65Å; D403-K405 PolarHBondContact O-N 3.47Å; D403-K405 VanDerWaalsContact O-N 3.16Å; D403-K405 PolarHBondContact OD1-N 2.96Å; K405-E504 WeakPolarHBondContact CE-O 3Å; K405-E504 PolarHBondContact NZ-O 3.16Å; K405-L505 VanDerWaalsContact NZ-C 3.28Å; K405-L505 PolarHBondContact NZ-O 2.82Å
406	S	81.3	Confident	74.1	Confident	17 Å²	17	89.9 Å²	89.9	12%	0.119	42%	0.416	C	S	.	.			trans	-70.9	127.6	176.5	-179.8	0	0	0	0	112.3	M394 D403 F408	M394-S406 VanDerWaalsContact CE-CA 3.46Å; D403-S406 VanDerWaalsContact O-CB 3.28Å; D403-S406 WeakPolarHBondContact O-CB 3.35Å; D403-S406 PolarHBondContact O-N 3.1Å; S406-F408 PolarHBondContact O-N 2.87Å; S406-F408 PolarHBondContact OG-N 3.39Å
407	P	74.9	Confident	73.5	Confident	27 Å²	27	91.3 Å²	91.3	18%	0.175	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-4.8	174.9	32.2	-34	0	0	0	112.8	L416	P407-L416 HydrophobicContact CG-CD1 4.46Å
408	F	67.8	Low	73.5	Confident	10 Å²	10	93.2 Å²	93.2	4%	0.044	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	25.4	-171.6	-59.8	-81.3	0	0	0	114.7	R391 M394 T397 S406 H410 Y413 L416	R391-F408 HydrophobicContact CB-CZ 4.34Å; R391-F408 WeakPolarHBondContact O-CE2 3.4Å; R391-F408 WeakPolarHBondContact O-CZ 3.32Å; M394-F408 HydrophobicContact CB-CD2 3.68Å; M394-F408 HydrophobicContact CB-CE2 3.41Å; M394-F408 VanDerWaalsContact CB-CE2 3.41Å; M394-F408 HydrophobicContact CB-CZ 4.48Å; M394-F408 WeakPolarHBondContact O-CD2 3.4Å; T397-F408 HydrophobicContact CG2-CB 3.77Å; S406-F408 PolarHBondContact O-N 2.87Å; S406-F408 PolarHBondContact OG-N 3.39Å; F408-H410 PolarHBondContact O-N 3.23Å; F408-Y413 AromaticContact CE1-CD2 3.71Å; F408-Y413 HydrophobicContact CE1-CD2 3.71Å; F408-Y413 HydrophobicContact CE1-CG 4.32Å; F408-Y413 AromaticContact CZ-CD2 3.65Å; F408-Y413 HydrophobicContact CZ-CD2 3.65Å; F408-Y413 HydrophobicContact CZ-CE2 4.37Å; F408-L416 HydrophobicContact CD1-CD1 4Å; F408-L416 HydrophobicContact CD1-CG 4.46Å; F408-L416 HydrophobicContact CE1-CD1 3.1Å; F408-L416 HydrophobicContact CE1-CG 3.77Å; F408-L416 HydrophobicContact CE2-CD1 4.13Å; F408-L416 HydrophobicContact CZ-CD1 3.18Å; F408-L416 HydrophobicContact CZ-CG 4.3Å
409	R	61.6	Low	73.6	Confident	167 Å²	167	85.5 Å²	85.5	63%	0.63	41%	0.406	S	S	*	.	S	Bend	trans	-56	-37.5	-178.3	-67.5	-169.6	-175.7	-165.3	2.7	113	I404	I404-R409 PolarHBondContact O-NH2 2.83Å
410	H	55.4	Low	73.8	Confident	181 Å²	181	87.4 Å²	87.4	84%	0.838	41%	0.413	S	S	*	.	S	Bend	trans	-139.1	-0	178.8	-61	93.3	0	0	0	114.6	F408	F408-H410 PolarHBondContact O-N 3.23Å
411	N	56.7	Low	74.2	Confident	86 Å²	86	90 Å²	90	46%	0.46	42%	0.423	S	S	.	.			trans	-102	144.6	-172.8	-66.4	-29.2	0	0	0	111.9	L416	N411-L416 HydrophobicContact CB-CD2 4.08Å
412	V	59.8	Low	74.9	Confident	86 Å²	86	83.7 Å²	83.7	52%	0.521	40%	0.399	S	S	.	.			trans	-84.3	143.6	168.9	-174.7	0	0	0	0	109.4	H414 Q415	V412-H414 PolarHBondContact O-N 2.85Å; V412-Q415 HydrophobicContact CB-CG 4.16Å; V412-Q415 WeakPolarHBondContact O-CA 3.15Å; V412-Q415 VanDerWaalsContact O-CB 3.26Å; V412-Q415 WeakPolarHBondContact O-CB 3.18Å; V412-Q415 PolarHBondContact O-N 2.93Å
413	Y	59	Low	75.6	Confident	75 Å²	75	78.4 Å²	78.4	29%	0.294	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-55	-43.7	-175.6	176.9	-100.4	0	0	0	115.5	R391 Q392 F408 Q415 L416	R391-Y413 HydrophobicContact CB-CE2 4.16Å; R391-Y413 WeakPolarHBondContact O-CD2 3.27Å; R391-Y413 WeakPolarHBondContact O-CE2 3.38Å; Q392-Y413 VanDerWaalsContact CA-CE2 3.44Å; Q392-Y413 HydrophobicContact CB-CE2 4.23Å; F408-Y413 AromaticContact CE1-CD2 3.71Å; F408-Y413 HydrophobicContact CE1-CD2 3.71Å; F408-Y413 HydrophobicContact CE1-CG 4.32Å; F408-Y413 AromaticContact CZ-CD2 3.65Å; F408-Y413 HydrophobicContact CZ-CD2 3.65Å; F408-Y413 HydrophobicContact CZ-CE2 4.37Å; Y413-Q415 PolarHBondContact O-N 2.9Å; Y413-L416 WeakPolarHBondContact O-CB 3.29Å; Y413-L416 PolarHBondContact O-N 3.39Å
414	H	60.9	Low	76.1	Confident	174 Å²	174	78.3 Å²	78.3	81%	0.806	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-65.4	-8.6	177	-61.5	-61.1	0	0	0	113.9	V412	V412-H414 PolarHBondContact O-N 2.85Å
415	Q	62.7	Low	76.8	Confident	134 Å²	134	75.9 Å²	75.9	63%	0.626	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-94.5	-10.3	173.8	-58.7	170.7	-22.2	0	0	112.7	V412 Y413 K417	V412-Q415 HydrophobicContact CB-CG 4.16Å; V412-Q415 WeakPolarHBondContact O-CA 3.15Å; V412-Q415 VanDerWaalsContact O-CB 3.26Å; V412-Q415 WeakPolarHBondContact O-CB 3.18Å; V412-Q415 PolarHBondContact O-N 2.93Å; Y413-Q415 PolarHBondContact O-N 2.9Å; Q415-K417 PolarHBondContact O-N 3.11Å
416	L	67.9	Low	77.3	Confident	41 Å²	41	72.6 Å²	72.6	22%	0.215	34%	0.344	C	S	.	.	S	Bend	trans	-72.9	130.7	176.9	-69.1	-168.2	0	0	0	110.5	P407 F408 N411 Y413	P407-L416 HydrophobicContact CG-CD1 4.46Å; F408-L416 HydrophobicContact CD1-CD1 4Å; F408-L416 HydrophobicContact CD1-CG 4.46Å; F408-L416 HydrophobicContact CE1-CD1 3.1Å; F408-L416 HydrophobicContact CE1-CG 3.77Å; F408-L416 HydrophobicContact CE2-CD1 4.13Å; F408-L416 HydrophobicContact CZ-CD1 3.18Å; F408-L416 HydrophobicContact CZ-CG 4.3Å; N411-L416 HydrophobicContact CB-CD2 4.08Å; Y413-L416 WeakPolarHBondContact O-CB 3.29Å; Y413-L416 PolarHBondContact O-N 3.39Å
417	K	72.2	Confident	77.9	Confident	180 Å²	180	72.1 Å²	72.1	78%	0.783	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-64.5	145.8	169.3	-64.8	-176.2	-179.9	179	0	109.6	Q415	Q415-K417 PolarHBondContact O-N 3.11Å
418	P	80.9	Confident	78.4	Confident	112 Å²	112	71.3 Å²	71.3	73%	0.727	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-51.5	142.6	171.2	-25.9	34.3	0	0	0	111.3	K420	P418-K420 PolarHBondContact O-N 3.36Å
419	V	87.3	Confident	79.4	Confident	5 Å²	5	71.8 Å²	71.8	3%	0.03	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-60	126.4	176.2	-178.9	0	0	0	0	108.8	P352 F384 I387 D388 R421	P352-V419 HydrophobicContact CG-CG1 4.09Å; F384-V419 HydrophobicContact CD1-CG1 4.07Å; F384-V419 HydrophobicContact CE1-CG1 4.17Å; I387-V419 HydrophobicContact CG2-CG1 4.26Å; I387-V419 HydrophobicContact CG2-CG2 3.79Å; D388-V419 WeakPolarHBondContact OD1-CG2 3.28Å; V419-R421 PolarHBondContact O-N 3Å
420	K	91.2	Very high	80.6	Confident	130 Å²	130	64.7 Å²	64.7	57%	0.565	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-69.9	126.5	169.9	-67.5	-176.5	178.9	-177.4	0	109	P418 R422	P418-K420 PolarHBondContact O-N 3.36Å; K420-R422 HydrophobicContact CB-CG 3.96Å; K420-R422 PolarHBondContact O-N 2.83Å; K420-R422 VanDerWaalsContact O-N 3.12Å
421	R	95.7	Very high	82.4	Confident	72 Å²	72	60.2 Å²	60.2	27%	0.272	30%	0.295	S	S	.	.			trans	-82.3	89.1	178.2	-63.7	167.8	174.8	69.8	10.7	109.3	F384 D388 V419 Y443 T444	F384-R421 HydrophobicContact CD1-CG 4.4Å; F384-R421 HydrophobicContact CD2-CB 4.34Å; F384-R421 HydrophobicContact CD2-CG 4.3Å; F384-R421 HydrophobicContact CE2-CB 4.18Å; F384-R421 HydrophobicContact CG-CG 4.21Å; F384-R421 HydrophobicContact CZ-CB 4.35Å; D388-R421 IonicContact OD2-NH2 2.78Å; D388-R421 PolarHBondContact OD2-NH2 3.05Å; V419-R421 PolarHBondContact O-N 3Å; R421-Y443 HydrophobicContact CB-CD1 3.4Å; R421-Y443 VanDerWaalsContact CB-CD1 3.4Å; R421-Y443 HydrophobicContact CB-CD2 4.49Å; R421-Y443 HydrophobicContact CB-CE1 3.64Å; R421-Y443 HydrophobicContact CB-CG 3.87Å; R421-Y443 HydrophobicContact CG-CD1 4.37Å; R421-Y443 HydrophobicContact CG-CE1 4.15Å; R421-Y443 CarbonylContact O-C 3.45Å; R421-Y443 WeakPolarHBondContact O-CA 3.42Å; R421-T444 PolarHBondContact O-N 3.43Å
422	R	97.7	Very high	84.1	Confident	20 Å²	20	56.1 Å²	56.1	8%	0.075	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.8	-174.2	-59.3	-161.3	-67.7	170.1	-1.3	111.1	I344 N351 I353 V354 F384 K420 T444 Y446	I344-R422 PolarHBondContact O-NH1 3.48Å; N351-R422 VanDerWaalsContact O-CZ 3.25Å; N351-R422 PolarHBondContact O-NE 3.38Å; N351-R422 PolarHBondContact O-NH2 2.8Å; I353-R422 WeakPolarHBondContact CA-O 3.32Å; I353-R422 HydrophobicContact CB-CB 4.45Å; I353-R422 HydrophobicContact CG1-CB 3.74Å; V354-R422 PolarHBondContact N-O 2.93Å; F384-R422 WeakPolarHBondContact CZ-O 3.42Å; K420-R422 HydrophobicContact CB-CG 3.96Å; K420-R422 PolarHBondContact O-N 2.83Å; K420-R422 VanDerWaalsContact O-N 3.12Å; R422-T444 WeakPolarHBondContact CA-O 3.36Å; R422-Y446 HydrophobicContact CB-CE2 3.86Å; R422-Y446 HydrophobicContact CG-CE2 4.05Å
423	V	98.6	Very high	85.7	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	127.6	-178.9	-178.9	0	0	0	0	110	V354 I356 M377 V380 F384 I425 Y443 T444 F445 Y446	V354-V423 CarbonylContact O-C 3.52Å; V354-V423 VanDerWaalsContact O-CA 3.25Å; V354-V423 WeakPolarHBondContact O-CA 3.44Å; I356-V423 HydrophobicContact CD1-CG1 4.02Å; I356-V423 HydrophobicContact CG1-CG1 3.94Å; I356-V423 HydrophobicContact CG2-CG1 3.97Å; M377-V423 HydrophobicContact CE-CG2 4.46Å; V380-V423 HydrophobicContact CG1-CG2 3.68Å; F384-V423 HydrophobicContact CE2-CG2 4.42Å; V423-I425 HydrophobicContact CG1-CG1 4.19Å; V423-Y443 HydrophobicContact CG2-CD1 3.88Å; V423-T444 PolarHBondContact N-O 3.21Å; V423-F445 HydrophobicContact CB-CD1 3.68Å; V423-F445 HydrophobicContact CB-CE1 3.8Å; V423-F445 HydrophobicContact CG1-CD1 4.01Å; V423-F445 HydrophobicContact CG1-CE1 4.07Å; V423-F445 HydrophobicContact CG2-CD1 4.41Å; V423-F445 HydrophobicContact CG2-CE1 4.07Å; V423-F445 CarbonylContact O-C 3.55Å; V423-F445 WeakPolarHBondContact O-CA 3.41Å; V423-Y446 PolarHBondContact O-N 2.84Å
424	Y	98.3	Very high	87.5	Confident	5 Å²	5	52.5 Å²	52.5	2%	0.02	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	126.3	168.2	-176.4	-87	0	0	0	109.2	I344 F345 V354 G355 I356 A426 Y446 R451 D472 A475 L476	I344-Y424 HydrophobicContact CD1-CD2 3.58Å; I344-Y424 HydrophobicContact CD1-CE2 4.09Å; F345-Y424 HydrophobicContact CZ-CD2 4.47Å; V354-Y424 PolarHBondContact O-N 3.18Å; G355-Y424 CarbonylContact C-O 3.58Å; G355-Y424 WeakPolarHBondContact CA-O 3.32Å; I356-Y424 PolarHBondContact N-O 3.5Å; Y424-A426 HydrophobicContact CE1-CB 4.22Å; Y424-Y446 CarbonylContact C-O 3.54Å; Y424-Y446 WeakPolarHBondContact CA-O 3.4Å; Y424-R451 PolarHBondContact OH-NH1 2.97Å; Y424-R451 PolarHBondContact OH-NH2 3.43Å; Y424-D472 PolarHBondContact OH-OD1 3.2Å; Y424-A475 HydrophobicContact CD1-CB 4.15Å; Y424-A475 HydrophobicContact CD2-CB 4.3Å; Y424-A475 HydrophobicContact CE1-CB 3.57Å; Y424-A475 HydrophobicContact CE2-CB 3.71Å; Y424-A475 HydrophobicContact CG-CB 4.49Å; Y424-L476 HydrophobicContact CD1-CD2 4.06Å; Y424-L476 HydrophobicContact CD1-CG 4.47Å
425	I	98.1	Very high	89.1	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.8	179.6	-52.5	-172.9	0	0	0	109	I356 V423 T427 I432 F433 A436 F445 Y446	I356-I425 HydrophobicContact CD1-CD1 4.19Å; I356-I425 HydrophobicContact CD1-CG1 3.86Å; I356-I425 HydrophobicContact CD1-CG2 4.4Å; I356-I425 HydrophobicContact CG1-CB 4.2Å; I356-I425 HydrophobicContact CG1-CG1 3.87Å; I356-I425 HydrophobicContact CG1-CG2 4.21Å; V423-I425 HydrophobicContact CG1-CG1 4.19Å; I425-T427 HydrophobicContact CG2-CG2 3.92Å; I425-I432 HydrophobicContact CD1-CG2 3.99Å; I425-I432 HydrophobicContact CG2-CG2 3.73Å; I425-F433 HydrophobicContact CB-CE1 3.79Å; I425-F433 HydrophobicContact CB-CZ 4.15Å; I425-F433 HydrophobicContact CD1-CD1 4.21Å; I425-F433 HydrophobicContact CD1-CE1 4.32Å; I425-F433 HydrophobicContact CG1-CE1 4.39Å; I425-F433 HydrophobicContact CG2-CE1 4.29Å; I425-F433 HydrophobicContact CG2-CZ 4.31Å; I425-A436 HydrophobicContact CD1-CB 3.94Å; I425-F445 HydrophobicContact CD1-CB 4.24Å; I425-F445 HydrophobicContact CD1-CD1 3.56Å; I425-F445 HydrophobicContact CD1-CE1 4.24Å; I425-F445 HydrophobicContact CD1-CG 4.12Å; I425-F445 HydrophobicContact CG1-CD1 4Å; I425-Y446 PolarHBondContact N-O 2.89Å
426	A	95.9	Very high	90.8	Very high	2 Å²	2	39.7 Å²	39.7	2%	0.017	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128.6	159.6	0	0	0	0	0	108.4	I356 H357 V358 Y424 D472 L476	I356-A426 PolarHBondContact O-N 3.21Å; H357-A426 CarbonylContact C-O 3.56Å; H357-A426 VanDerWaalsContact CA-O 3.31Å; H357-A426 WeakPolarHBondContact CA-O 3.36Å; V358-A426 PolarHBondContact N-O 3.11Å; Y424-A426 HydrophobicContact CE1-CB 4.22Å; A426-D472 HydrophobicContact CB-CB 3.86Å; A426-L476 HydrophobicContact CB-CD1 3.75Å; A426-L476 HydrophobicContact CB-CD2 4.12Å; A426-L476 HydrophobicContact CB-CG 4.06Å
427	T	92.7	Very high	92.1	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.043	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	157.1	-176.6	-172	0	0	0	0	112	V358 I425 D429 I432 F433 A452	V358-T427 VanDerWaalsContact O-CA 3.26Å; V358-T427 WeakPolarHBondContact O-CA 3.41Å; V358-T427 VanDerWaalsContact O-CB 3.31Å; V358-T427 WeakPolarHBondContact O-CB 2.92Å; V358-T427 PolarHBondContact O-OG1 3.18Å; I425-T427 HydrophobicContact CG2-CG2 3.92Å; T427-D429 VanDerWaalsContact CG2-O 3.24Å; T427-D429 WeakPolarHBondContact CG2-O 3.4Å; T427-D429 PolarHBondContact OG1-N 3.3Å; T427-I432 HydrophobicContact CG2-CB 4.14Å; T427-I432 HydrophobicContact CG2-CG1 4.43Å; T427-I432 HydrophobicContact CG2-CG2 4.42Å; T427-F433 HydrophobicContact CG2-CE2 4.09Å; T427-A452 HydrophobicContact CG2-CB 3.97Å; T427-A452 VanDerWaalsContact O-CA 3.32Å; T427-A452 WeakPolarHBondContact O-CA 3.32Å; T427-A452 WeakPolarHBondContact O-CB 3.4Å
428	D	85.9	Confident	93.4	Very high	10 Å²	10	40 Å²	40	5%	0.053	21%	0.208	C	C	.	.	S	Bend	trans	-94.7	5.3	170.2	66.3	-30.9	0	0	0	113.2	R359 R360 T361 D362 A455	R359-D428 WeakPolarHBondContact CA-OD1 3.38Å; R360-D428 PolarHBondContact N-OD1 3.23Å; T361-D428 WeakPolarHBondContact CA-OD2 2.96Å; T361-D428 WeakPolarHBondContact CB-OD2 3.49Å; T361-D428 PolarHBondContact N-OD2 3.34Å; T361-D428 PolarHBondContact OG1-OD2 3.07Å; D362-D428 PolarHBondContact N-OD2 3.13Å; D428-A455 HydrophobicContact CB-CB 4.37Å
429	D	89	Confident	94.2	Very high	19 Å²	19	40 Å²	40	10%	0.102	20%	0.197	C	C	.	.			trans	-127.3	108.6	175.6	176.7	16	0	0	0	111.6	R360 T427 N431 I432	R360-D429 HydrophobicContact CB-CB 3.69Å; R360-D429 WeakPolarHBondContact CD-OD2 3.08Å; R360-D429 HydrophobicContact CG-CB 4.32Å; R360-D429 IonicContact CZ-OD2 2.62Å; R360-D429 IonicContact NE-OD2 3.19Å; R360-D429 IonicContact NH1-OD2 3.02Å; R360-D429 PolarHBondContact NH1-OD2 2.86Å; R360-D429 VanDerWaalsContact NH1-OD2 3.08Å; T427-D429 VanDerWaalsContact CG2-O 3.24Å; T427-D429 WeakPolarHBondContact CG2-O 3.4Å; T427-D429 PolarHBondContact OG1-N 3.3Å; D429-N431 PolarHBondContact O-N 2.82Å; D429-N431 VanDerWaalsContact O-N 3.13Å; D429-N431 VanDerWaalsContact OD1-CB 3.29Å; D429-N431 WeakPolarHBondContact OD1-CB 3.25Å; D429-N431 PolarHBondContact OD1-N 3.38Å; D429-N431 PolarHBondContact OD1-ND2 3.41Å; D429-I432 HydrophobicContact CB-CG1 4.18Å; D429-I432 WeakPolarHBondContact O-CB 3.48Å; D429-I432 WeakPolarHBondContact O-CG1 3.36Å; D429-I432 PolarHBondContact O-N 3.4Å
430	P	88	Confident	94.7	Very high	18 Å²	18	41.9 Å²	41.9	12%	0.117	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-24.5	178.9	32.1	-44.2	0	0	0	113.5	I432 F433 R449 A452 D453	P430-I432 PolarHBondContact O-N 3.08Å; P430-F433 WeakPolarHBondContact O-CD2 3.27Å; P430-F433 PolarHBondContact O-N 2.89Å; P430-R449 HydrophobicContact CB-CG 3.71Å; P430-A452 HydrophobicContact CB-CB 4.41Å; P430-D453 VanDerWaalsContact CB-OD1 3.31Å; P430-D453 WeakPolarHBondContact CB-OD1 3.39Å; P430-D453 WeakPolarHBondContact CG-OD1 3.39Å
431	N	91.7	Very high	95	Very high	88 Å²	88	40.3 Å²	40.3	47%	0.471	21%	0.206	S	C	.	.	H	α-helix	trans	-68.2	-18.4	-177.6	-59.4	-58.6	0	0	0	112.1	D429 F433 D434 E435	D429-N431 PolarHBondContact O-N 2.82Å; D429-N431 VanDerWaalsContact O-N 3.13Å; D429-N431 VanDerWaalsContact OD1-CB 3.29Å; D429-N431 WeakPolarHBondContact OD1-CB 3.25Å; D429-N431 PolarHBondContact OD1-N 3.38Å; D429-N431 PolarHBondContact OD1-ND2 3.41Å; N431-F433 PolarHBondContact O-N 3.34Å; N431-D434 PolarHBondContact O-N 2.92Å; N431-E435 PolarHBondContact O-N 3.27Å
432	I	92.3	Very high	95	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-55.6	-37.2	172.4	-71.9	-70.6	0	0	0	111.5	V358 R360 L373 I425 T427 D429 P430 D434 E435 A436	V358-I432 HydrophobicContact CG1-CD1 3.72Å; V358-I432 HydrophobicContact CG1-CG1 4.17Å; R360-I432 HydrophobicContact CG-CD1 4.36Å; R360-I432 VanDerWaalsContact NE-CD1 3.29Å; L373-I432 HydrophobicContact CB-CD1 4.46Å; L373-I432 HydrophobicContact CD1-CG2 4.37Å; I425-I432 HydrophobicContact CD1-CG2 3.99Å; I425-I432 HydrophobicContact CG2-CG2 3.73Å; T427-I432 HydrophobicContact CG2-CB 4.14Å; T427-I432 HydrophobicContact CG2-CG1 4.43Å; T427-I432 HydrophobicContact CG2-CG2 4.42Å; D429-I432 HydrophobicContact CB-CG1 4.18Å; D429-I432 WeakPolarHBondContact O-CB 3.48Å; D429-I432 WeakPolarHBondContact O-CG1 3.36Å; D429-I432 PolarHBondContact O-N 3.4Å; P430-I432 PolarHBondContact O-N 3.08Å; I432-D434 VanDerWaalsContact C-N 3.34Å; I432-D434 PolarHBondContact O-N 3.49Å; I432-E435 PolarHBondContact O-N 3.17Å; I432-A436 WeakPolarHBondContact O-CB 3.38Å; I432-A436 PolarHBondContact O-N 2.67Å
433	F	94.9	Very high	94.9	Very high	15 Å²	15	44 Å²	44	7%	0.066	23%	0.231	C	C	.	.	H	α-helix	trans	-65.2	-38.7	-179.8	-69.7	-75.1	0	0	0	112.3	I425 T427 P430 N431 K437 R449 A452	I425-F433 HydrophobicContact CB-CE1 3.79Å; I425-F433 HydrophobicContact CB-CZ 4.15Å; I425-F433 HydrophobicContact CD1-CD1 4.21Å; I425-F433 HydrophobicContact CD1-CE1 4.32Å; I425-F433 HydrophobicContact CG1-CE1 4.39Å; I425-F433 HydrophobicContact CG2-CE1 4.29Å; I425-F433 HydrophobicContact CG2-CZ 4.31Å; T427-F433 HydrophobicContact CG2-CE2 4.09Å; P430-F433 WeakPolarHBondContact O-CD2 3.27Å; P430-F433 PolarHBondContact O-N 2.89Å; N431-F433 PolarHBondContact O-N 3.34Å; F433-K437 VanDerWaalsContact O-CG 3.28Å; F433-K437 WeakPolarHBondContact O-CG 2.97Å; F433-K437 PolarHBondContact O-N 2.83Å; F433-K437 VanDerWaalsContact O-N 3.16Å; F433-R449 HydrophobicContact CD2-CB 4.46Å; F433-A452 HydrophobicContact CE2-CB 4.05Å
434	D	95.1	Very high	94.9	Very high	70 Å²	70	47.1 Å²	47.1	37%	0.374	25%	0.25	S	S	.	.	H	α-helix	trans	-72.6	-42.7	179.2	-63	-32.6	0	0	0	110.2	N431 I432 S438 R449	N431-D434 PolarHBondContact O-N 2.92Å; I432-D434 VanDerWaalsContact C-N 3.34Å; I432-D434 PolarHBondContact O-N 3.49Å; D434-S438 WeakPolarHBondContact O-CB 3.38Å; D434-S438 PolarHBondContact O-N 3.35Å; D434-R449 IonicContact OD1-NH1 2.8Å; D434-R449 PolarHBondContact OD1-NH1 3.45Å; D434-R449 IonicContact OD2-CZ 3.65Å; D434-R449 IonicContact OD2-NH1 2.94Å; D434-R449 PolarHBondContact OD2-NH1 3.28Å; D434-R449 VanDerWaalsContact OD2-NH1 3.1Å; D434-R449 IonicContact OD2-NH2 2.65Å; D434-R449 PolarHBondContact OD2-NH2 2.89Å
435	E	95.4	Very high	94.8	Very high	39 Å²	39	48.1 Å²	48.1	18%	0.182	26%	0.255	C	S	.	.	H	α-helix	trans	-61.5	-45.3	174.4	-174.6	-179.8	165.8	0	0	112.3	R360 L373 N431 I432 S438 K439	R360-E435 IonicContact CZ-OE2 2.74Å; R360-E435 VanDerWaalsContact CZ-OE2 3.32Å; R360-E435 IonicContact NH1-OE2 3.39Å; R360-E435 PolarHBondContact NH1-OE2 3.36Å; R360-E435 IonicContact NH2-OE1 2.8Å; R360-E435 IonicContact NH2-OE2 3.36Å; R360-E435 PolarHBondContact NH2-OE2 2.56Å; L373-E435 HydrophobicContact CD2-CB 4.21Å; L373-E435 HydrophobicContact CD2-CG 3.89Å; N431-E435 PolarHBondContact O-N 3.27Å; I432-E435 PolarHBondContact O-N 3.17Å; E435-S438 PolarHBondContact O-N 3.43Å; E435-K439 HydrophobicContact CG-CD 3.86Å; E435-K439 HydrophobicContact CG-CG 4.34Å; E435-K439 WeakPolarHBondContact O-CB 3.48Å; E435-K439 PolarHBondContact O-N 2.93Å; E435-K439 WeakPolarHBondContact OE1-CE 3.36Å; E435-K439 IonicContact OE1-NZ 2.98Å; E435-K439 PolarHBondContact OE1-NZ 2.81Å
436	A	97.6	Very high	94.7	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.7	-48.5	-179.9	0	0	0	0	0	111.4	L373 I425 I432 S438 Y440 F445	L373-A436 HydrophobicContact CD2-CB 3.84Å; I425-A436 HydrophobicContact CD1-CB 3.94Å; I432-A436 WeakPolarHBondContact O-CB 3.38Å; I432-A436 PolarHBondContact O-N 2.67Å; A436-S438 VanDerWaalsContact C-N 3.33Å; A436-S438 PolarHBondContact O-N 2.91Å; A436-Y440 WeakPolarHBondContact O-CA 3.48Å; A436-Y440 WeakPolarHBondContact O-CB 3.47Å; A436-Y440 PolarHBondContact O-N 2.81Å; A436-F445 VanDerWaalsContact C-CE2 3.47Å; A436-F445 HydrophobicContact CB-CD1 4.05Å; A436-F445 HydrophobicContact CB-CD2 3.91Å; A436-F445 HydrophobicContact CB-CE1 3.89Å; A436-F445 HydrophobicContact CB-CE2 3.75Å; A436-F445 HydrophobicContact CB-CG 4.06Å; A436-F445 HydrophobicContact CB-CZ 3.74Å; A436-F445 VanDerWaalsContact O-CE2 3.27Å; A436-F445 WeakPolarHBondContact O-CE2 3.47Å
437	K	96.7	Very high	94.6	Very high	128 Å²	128	52.5 Å²	52.5	56%	0.557	28%	0.282	S	S	*	.	H	α-helix	trans	-61.7	-40	176.8	-72.9	172.5	-175.7	173.6	0	112.2	F433 F445	F433-K437 VanDerWaalsContact O-CG 3.28Å; F433-K437 WeakPolarHBondContact O-CG 2.97Å; F433-K437 PolarHBondContact O-N 2.83Å; F433-K437 VanDerWaalsContact O-N 3.16Å; K437-F445 HydrophobicContact CG-CD2 4.3Å
438	S	97.9	Very high	94.4	Very high	99 Å²	99	54.6 Å²	54.6	69%	0.692	29%	0.293	S	S	*	.	H	α-helix	trans	-70.8	-43.8	-179.4	-175.6	0	0	0	0	112.9	D434 E435 A436	D434-S438 WeakPolarHBondContact O-CB 3.38Å; D434-S438 PolarHBondContact O-N 3.35Å; E435-S438 PolarHBondContact O-N 3.43Å; A436-S438 VanDerWaalsContact C-N 3.33Å; A436-S438 PolarHBondContact O-N 2.91Å
439	K	98.2	Very high	94.5	Very high	112 Å²	112	59.4 Å²	59.4	49%	0.487	31%	0.31	S	S	.	.	H	α-helix	trans	-83.6	-28	-175.5	-71.2	-175.4	177.2	175.4	0	113.1	E435 P441	E435-K439 HydrophobicContact CG-CD 3.86Å; E435-K439 HydrophobicContact CG-CG 4.34Å; E435-K439 WeakPolarHBondContact O-CB 3.48Å; E435-K439 PolarHBondContact O-N 2.93Å; E435-K439 WeakPolarHBondContact OE1-CE 3.36Å; E435-K439 IonicContact OE1-NZ 2.98Å; E435-K439 PolarHBondContact OE1-NZ 2.81Å; K439-P441 VanDerWaalsContact C-CD 3.44Å; K439-P441 WeakPolarHBondContact O-CD 3.4Å
440	Y	98.1	Very high	94.3	Very high	44 Å²	44	66 Å²	66	17%	0.173	34%	0.34	C	S	.	.			trans	-128.3	60.8	-172.8	-55.1	-81.8	0	0	0	112.1	L373 E374 M377 A436 N442 Y443 F445	L373-Y440 HydrophobicContact CD2-CE2 4.22Å; L373-Y440 HydrophobicContact CG-CE2 4.3Å; E374-Y440 WeakPolarHBondContact CA-OH 3.41Å; M377-Y440 HydrophobicContact CB-CD1 4.37Å; M377-Y440 HydrophobicContact CB-CE1 3.7Å; M377-Y440 HydrophobicContact CB-CE2 3.96Å; M377-Y440 VanDerWaalsContact CB-CZ 3.48Å; M377-Y440 HydrophobicContact CE-CD1 4.02Å; M377-Y440 HydrophobicContact CE-CD2 4.33Å; M377-Y440 HydrophobicContact CE-CE1 4.45Å; M377-Y440 HydrophobicContact CE-CG 3.97Å; M377-Y440 HydrophobicContact CG-CD1 4.47Å; M377-Y440 HydrophobicContact CG-CD2 3.95Å; M377-Y440 HydrophobicContact CG-CE1 4.12Å; M377-Y440 HydrophobicContact CG-CE2 3.56Å; M377-Y440 HydrophobicContact CG-CG 4.41Å; A436-Y440 WeakPolarHBondContact O-CA 3.48Å; A436-Y440 WeakPolarHBondContact O-CB 3.47Å; A436-Y440 PolarHBondContact O-N 2.81Å; Y440-N442 PolarHBondContact O-N 2.75Å; Y440-Y443 HydrophobicContact CD1-CE2 4.29Å; Y440-Y443 PolarHBondContact O-N 2.9Å; Y440-F445 HydrophobicContact CD2-CZ 4.44Å; Y440-F445 HydrophobicContact CG-CZ 4.41Å
441	P	96.8	Very high	94	Very high	97 Å²	97	66.4 Å²	66.4	63%	0.63	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.2	-172.4	26.4	-36.3	0	0	0	114.7	K439 Y443	K439-P441 VanDerWaalsContact C-CD 3.44Å; K439-P441 WeakPolarHBondContact O-CD 3.4Å; P441-Y443 VanDerWaalsContact C-N 3.31Å
442	N	95.3	Very high	93.5	Very high	139 Å²	139	62.3 Å²	62.3	74%	0.743	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-2.1	177.6	-65.8	-31.9	0	0	0	113.8	Y440	Y440-N442 PolarHBondContact O-N 2.75Å
443	Y	97.7	Very high	92.6	Very high	31 Å²	31	65.6 Å²	65.6	12%	0.122	34%	0.336	C	S	.	.	S	Bend	trans	-103	151.2	178.1	-68.6	-110.4	0	0	0	110.5	M377 V380 E381 F384 R421 V423 Y440 P441 F445	M377-Y443 HydrophobicContact CE-CD1 3.75Å; M377-Y443 HydrophobicContact CE-CD2 4.34Å; M377-Y443 HydrophobicContact CE-CE1 3.7Å; M377-Y443 HydrophobicContact CE-CE2 4.24Å; M377-Y443 HydrophobicContact CE-CG 4.09Å; V380-Y443 HydrophobicContact CG1-CD1 4.48Å; V380-Y443 HydrophobicContact CG1-CE1 3.92Å; E381-Y443 PolarHBondContact OE2-OH 2.87Å; F384-Y443 AromaticContact CD2-CE1 3.99Å; F384-Y443 HydrophobicContact CD2-CE1 3.99Å; F384-Y443 HydrophobicContact CE2-CD1 4.44Å; F384-Y443 HydrophobicContact CE2-CE1 4.1Å; R421-Y443 HydrophobicContact CB-CD1 3.4Å; R421-Y443 VanDerWaalsContact CB-CD1 3.4Å; R421-Y443 HydrophobicContact CB-CD2 4.49Å; R421-Y443 HydrophobicContact CB-CE1 3.64Å; R421-Y443 HydrophobicContact CB-CG 3.87Å; R421-Y443 HydrophobicContact CG-CD1 4.37Å; R421-Y443 HydrophobicContact CG-CE1 4.15Å; R421-Y443 CarbonylContact O-C 3.45Å; R421-Y443 WeakPolarHBondContact O-CA 3.42Å; V423-Y443 HydrophobicContact CG2-CD1 3.88Å; Y440-Y443 HydrophobicContact CD1-CE2 4.29Å; Y440-Y443 PolarHBondContact O-N 2.9Å; P441-Y443 VanDerWaalsContact C-N 3.31Å; Y443-F445 HydrophobicContact CG-CZ 4.24Å
444	T	96.6	Very high	91.5	Very high	66 Å²	66	65.9 Å²	65.9	41%	0.405	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	116.2	169	-51.2	0	0	0	0	109	R421 R422 V423 Y446	R421-T444 PolarHBondContact O-N 3.43Å; R422-T444 WeakPolarHBondContact CA-O 3.36Å; V423-T444 PolarHBondContact N-O 3.21Å; T444-Y446 HydrophobicContact CG2-CE1 4.27Å; T444-Y446 HydrophobicContact CG2-CE2 3.72Å; T444-Y446 WeakPolarHBondContact CG2-OH 3.46Å
445	F	97.2	Very high	89.8	Confident	26 Å²	26	63.1 Å²	63.1	11%	0.114	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	130.4	178.8	-62.5	-74.6	0	0	0	111.1	M377 V423 I425 A436 K437 Y440 Y443	M377-F445 HydrophobicContact CE-CE1 4.12Å; M377-F445 HydrophobicContact CE-CZ 4.03Å; M377-F445 HydrophobicContact SD-CE1 4.01Å; M377-F445 HydrophobicContact SD-CZ 4.34Å; V423-F445 HydrophobicContact CB-CD1 3.68Å; V423-F445 HydrophobicContact CB-CE1 3.8Å; V423-F445 HydrophobicContact CG1-CD1 4.01Å; V423-F445 HydrophobicContact CG1-CE1 4.07Å; V423-F445 HydrophobicContact CG2-CD1 4.41Å; V423-F445 HydrophobicContact CG2-CE1 4.07Å; V423-F445 CarbonylContact O-C 3.55Å; V423-F445 WeakPolarHBondContact O-CA 3.41Å; I425-F445 HydrophobicContact CD1-CB 4.24Å; I425-F445 HydrophobicContact CD1-CD1 3.56Å; I425-F445 HydrophobicContact CD1-CE1 4.24Å; I425-F445 HydrophobicContact CD1-CG 4.12Å; I425-F445 HydrophobicContact CG1-CD1 4Å; A436-F445 VanDerWaalsContact C-CE2 3.47Å; A436-F445 HydrophobicContact CB-CD1 4.05Å; A436-F445 HydrophobicContact CB-CD2 3.91Å; A436-F445 HydrophobicContact CB-CE1 3.89Å; A436-F445 HydrophobicContact CB-CE2 3.75Å; A436-F445 HydrophobicContact CB-CG 4.06Å; A436-F445 HydrophobicContact CB-CZ 3.74Å; A436-F445 VanDerWaalsContact O-CE2 3.27Å; A436-F445 WeakPolarHBondContact O-CE2 3.47Å; K437-F445 HydrophobicContact CG-CD2 4.3Å; Y440-F445 HydrophobicContact CD2-CZ 4.44Å; Y440-F445 HydrophobicContact CG-CZ 4.41Å; Y443-F445 HydrophobicContact CG-CZ 4.24Å
446	Y	96.2	Very high	88.1	Confident	61 Å²	61	62.7 Å²	62.7	24%	0.239	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	157.6	172.8	-55.4	-89.2	0	0	0	108.9	I344 R422 V423 Y424 I425 T444	I344-Y446 HydrophobicContact CB-CD1 4.12Å; I344-Y446 HydrophobicContact CB-CE1 4.28Å; I344-Y446 HydrophobicContact CD1-CD1 4.43Å; I344-Y446 HydrophobicContact CD1-CG 4.15Å; I344-Y446 HydrophobicContact CG2-CD1 3.57Å; I344-Y446 HydrophobicContact CG2-CE1 3.85Å; I344-Y446 HydrophobicContact CG2-CG 4.32Å; R422-Y446 HydrophobicContact CB-CE2 3.86Å; R422-Y446 HydrophobicContact CG-CE2 4.05Å; V423-Y446 PolarHBondContact O-N 2.84Å; Y424-Y446 CarbonylContact C-O 3.54Å; Y424-Y446 WeakPolarHBondContact CA-O 3.4Å; I425-Y446 PolarHBondContact N-O 2.89Å; T444-Y446 HydrophobicContact CG2-CE1 4.27Å; T444-Y446 HydrophobicContact CG2-CE2 3.72Å; T444-Y446 WeakPolarHBondContact CG2-OH 3.46Å
447	G	92.7	Very high	86.1	Confident	34 Å²	34	67 Å²	67	35%	0.351	35%	0.35	S	S	.	.			trans	139.6	174.7	-175.8	0	0	0	0	0	109.2
448	D	89	Confident	83.8	Confident	51 Å²	51	70.1 Å²	70.1	27%	0.273	36%	0.364	S	S	.	.			trans	-125.6	119.1	-171.5	-177.1	-26.5	0	0	0	110	E450 R451 A452	D448-E450 WeakPolarHBondContact OD1-CA 3.29Å; D448-E450 WeakPolarHBondContact OD1-CB 3.2Å; D448-E450 PolarHBondContact OD1-N 3.39Å; D448-R451 HydrophobicContact CB-CB 3.91Å; D448-R451 HydrophobicContact CB-CG 4Å; D448-R451 PolarHBondContact OD1-N 3.28Å; D448-R451 WeakPolarHBondContact OD2-CG 3.37Å; D448-R451 IonicContact OD2-NE 3.86Å; D448-R451 PolarHBondContact OD2-NE 2.96Å; D448-A452 PolarHBondContact O-N 3Å
449	R	87.3	Confident	81.8	Confident	110 Å²	110	72.6 Å²	72.6	42%	0.415	36%	0.358	S	S	.	.	H	α-helix	trans	-69.6	-36.8	-178.1	-167.6	179	-174.3	139.9	10.5	111.5	P430 F433 D434 A452 D453	P430-R449 HydrophobicContact CB-CG 3.71Å; F433-R449 HydrophobicContact CD2-CB 4.46Å; D434-R449 IonicContact OD1-NH1 2.8Å; D434-R449 PolarHBondContact OD1-NH1 3.45Å; D434-R449 IonicContact OD2-CZ 3.65Å; D434-R449 IonicContact OD2-NH1 2.94Å; D434-R449 PolarHBondContact OD2-NH1 3.28Å; D434-R449 VanDerWaalsContact OD2-NH1 3.1Å; D434-R449 IonicContact OD2-NH2 2.65Å; D434-R449 PolarHBondContact OD2-NH2 2.89Å; R449-A452 PolarHBondContact O-N 3.32Å; R449-D453 PolarHBondContact O-N 2.95Å
450	E	85	Confident	79.8	Confident	157 Å²	157	69.9 Å²	69.9	73%	0.734	35%	0.345	S	S	*	.	H	α-helix	trans	-68.5	-39.1	178.7	-61	-176	178.3	0	0	110.5	D448 D453 S454	D448-E450 WeakPolarHBondContact OD1-CA 3.29Å; D448-E450 WeakPolarHBondContact OD1-CB 3.2Å; D448-E450 PolarHBondContact OD1-N 3.39Å; E450-D453 PolarHBondContact O-N 3.37Å; E450-S454 PolarHBondContact O-N 3.35Å
451	R	83.4	Confident	77.8	Confident	28 Å²	28	76.6 Å²	76.6	11%	0.106	38%	0.375	C	S	.	.	H	α-helix	trans	-63.2	-43	172.2	-71.2	-169.2	-75.6	134.6	2	111.9	Y424 D448 D453 S454 A455 G468 T471 D472	Y424-R451 PolarHBondContact OH-NH1 2.97Å; Y424-R451 PolarHBondContact OH-NH2 3.43Å; D448-R451 HydrophobicContact CB-CB 3.91Å; D448-R451 HydrophobicContact CB-CG 4Å; D448-R451 PolarHBondContact OD1-N 3.28Å; D448-R451 WeakPolarHBondContact OD2-CG 3.37Å; D448-R451 IonicContact OD2-NE 3.86Å; D448-R451 PolarHBondContact OD2-NE 2.96Å; R451-D453 VanDerWaalsContact C-N 3.34Å; R451-D453 PolarHBondContact O-N 3.41Å; R451-S454 PolarHBondContact O-N 3.44Å; R451-S454 PolarHBondContact O-OG 3.43Å; R451-A455 WeakPolarHBondContact O-CB 3.49Å; R451-A455 PolarHBondContact O-N 3.37Å; R451-G468 VanDerWaalsContact CD-CA 3.44Å; R451-G468 PolarHBondContact NH1-O 3.38Å; R451-T471 VanDerWaalsContact NH1-CG2 3.27Å; R451-D472 IonicContact CZ-OD1 3.82Å; R451-D472 VanDerWaalsContact NH1-CG 3.35Å; R451-D472 IonicContact NH1-OD1 3.74Å; R451-D472 PolarHBondContact NH1-OD1 2.89Å; R451-D472 IonicContact NH2-OD1 3.93Å
452	A	79.4	Confident	76.4	Confident	2 Å²	2	76.6 Å²	76.6	2%	0.017	37%	0.37	C	S	.	.	H	α-helix	trans	-59.8	-42.3	174.9	0	0	0	0	0	112.5	T427 P430 F433 D448 R449 S454 A455	T427-A452 HydrophobicContact CG2-CB 3.97Å; T427-A452 VanDerWaalsContact O-CA 3.32Å; T427-A452 WeakPolarHBondContact O-CA 3.32Å; T427-A452 WeakPolarHBondContact O-CB 3.4Å; P430-A452 HydrophobicContact CB-CB 4.41Å; F433-A452 HydrophobicContact CE2-CB 4.05Å; D448-A452 PolarHBondContact O-N 3Å; R449-A452 PolarHBondContact O-N 3.32Å; A452-S454 VanDerWaalsContact C-N 3.33Å; A452-S454 PolarHBondContact O-N 3.47Å; A452-A455 PolarHBondContact O-N 2.92Å
453	D	74.4	Confident	75.4	Confident	69 Å²	69	74.8 Å²	74.8	37%	0.369	36%	0.357	S	S	.	.	H	α-helix	trans	-60.4	-42.2	174.8	-75	-26.7	0	0	0	111.9	P430 R449 E450 R451 A455 S456	P430-D453 VanDerWaalsContact CB-OD1 3.31Å; P430-D453 WeakPolarHBondContact CB-OD1 3.39Å; P430-D453 WeakPolarHBondContact CG-OD1 3.39Å; R449-D453 PolarHBondContact O-N 2.95Å; E450-D453 PolarHBondContact O-N 3.37Å; R451-D453 VanDerWaalsContact C-N 3.34Å; R451-D453 PolarHBondContact O-N 3.41Å; D453-A455 VanDerWaalsContact C-N 3.31Å; D453-A455 PolarHBondContact O-N 3.14Å; D453-S456 WeakPolarHBondContact O-CB 3.45Å; D453-S456 PolarHBondContact O-N 2.82Å; D453-S456 PolarHBondContact O-OG 3.25Å
454	S	71.4	Confident	74.3	Confident	21 Å²	21	79.5 Å²	79.5	15%	0.147	38%	0.384	C	S	.	.	H	α-helix	trans	-71.3	-23	178.4	82.2	0	0	0	0	113.8	E450 R451 A452 S456 S465	E450-S454 PolarHBondContact O-N 3.35Å; R451-S454 PolarHBondContact O-N 3.44Å; R451-S454 PolarHBondContact O-OG 3.43Å; A452-S454 VanDerWaalsContact C-N 3.33Å; A452-S454 PolarHBondContact O-N 3.47Å; S454-S456 VanDerWaalsContact C-N 3.32Å; S454-S465 PolarHBondContact O-OG 2.82Å
455	A	60.5	Low	73.5	Confident	12 Å²	12	76.5 Å²	76.5	10%	0.099	37%	0.366	C	S	.	.	H	α-helix	trans	-80.4	-13.5	-179.7	0	0	0	0	0	113.2	D428 R451 A452 D453 R460	D428-A455 HydrophobicContact CB-CB 4.37Å; R451-A455 WeakPolarHBondContact O-CB 3.49Å; R451-A455 PolarHBondContact O-N 3.37Å; A452-A455 PolarHBondContact O-N 2.92Å; D453-A455 VanDerWaalsContact C-N 3.31Å; D453-A455 PolarHBondContact O-N 3.14Å; A455-R460 PolarHBondContact O-NE 3.22Å; A455-R460 PolarHBondContact O-NH2 3.25Å
456	S	58.2	Low	73.1	Confident	29 Å²	29	75.7 Å²	75.7	20%	0.203	36%	0.362	C	S	.	.	S	Bend	trans	-56.6	146.4	172.1	69.2	0	0	0	0	111.4	D453 S454 F458 R459	D453-S456 WeakPolarHBondContact O-CB 3.45Å; D453-S456 PolarHBondContact O-N 2.82Å; D453-S456 PolarHBondContact O-OG 3.25Å; S454-S456 VanDerWaalsContact C-N 3.32Å; S456-F458 PolarHBondContact O-N 2.72Å; S456-R459 PolarHBondContact O-N 2.9Å; S456-R459 VanDerWaalsContact O-N 3.11Å
457	L	56.2	Low	72.8	Confident	90 Å²	90	75 Å²	75	47%	0.471	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-30.3	-172.1	-81.7	165.4	0	0	0	114.8	D362	D362-L457 WeakPolarHBondContact OD1-CD2 3.35Å
458	F	49.3	Very low	72.6	Confident	195 Å²	195	73.6 Å²	73.6	86%	0.855	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-14	-173.3	-59.4	-75.8	0	0	0	115.2	S456	S456-F458 PolarHBondContact O-N 2.72Å
459	R	55.6	Low	72.8	Confident	150 Å²	150	72.6 Å²	72.6	57%	0.566	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.5	3.2	-171.8	-66	-174.8	179.9	-171.9	2	115.9	S456 K461 N462 S465	S456-R459 PolarHBondContact O-N 2.9Å; S456-R459 VanDerWaalsContact O-N 3.11Å; R459-K461 VanDerWaalsContact C-N 3.28Å; R459-K461 PolarHBondContact O-N 3.06Å; R459-N462 PolarHBondContact O-N 3.48Å; R459-S465 WeakPolarHBondContact O-CB 3.32Å
460	R	55.4	Low	73.1	Confident	55 Å²	55	67.3 Å²	67.3	21%	0.208	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.5	-167	-73.9	-177.8	177.7	-175.7	-6.4	118.4	D362 A455 S465	D362-R460 IonicContact OD1-CZ 3.22Å; D362-R460 IonicContact OD1-NH1 2.75Å; D362-R460 PolarHBondContact OD1-NH1 3.45Å; D362-R460 IonicContact OD1-NH2 2.72Å; D362-R460 PolarHBondContact OD1-NH2 3.41Å; D362-R460 IonicContact OD2-CZ 3.79Å; D362-R460 IonicContact OD2-NH1 3.31Å; D362-R460 PolarHBondContact OD2-NH1 3.18Å; D362-R460 IonicContact OD2-NH2 3.48Å; D362-R460 PolarHBondContact OD2-NH2 3.45Å; A455-R460 PolarHBondContact O-NE 3.22Å; A455-R460 PolarHBondContact O-NH2 3.25Å; R460-S465 WeakPolarHBondContact CA-OG 3.37Å
461	K	56.6	Low	73.6	Confident	185 Å²	185	60.2 Å²	60.2	80%	0.804	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-5.4	-176.4	-67.7	-170.1	179.1	-175	0	113.6	R459	R459-K461 VanDerWaalsContact C-N 3.28Å; R459-K461 PolarHBondContact O-N 3.06Å
462	N	68	Low	74.2	Confident	98 Å²	98	59.5 Å²	59.5	52%	0.524	29%	0.288	S	S	.	.	S	Bend	trans	-77.5	143.9	178.5	-63.6	3.9	0	0	0	110	R459 D464 S465 I466	R459-N462 PolarHBondContact O-N 3.48Å; N462-D464 PolarHBondContact O-N 3.12Å; N462-D464 VanDerWaalsContact O-N 3.14Å; N462-S465 WeakPolarHBondContact O-CB 3.11Å; N462-S465 PolarHBondContact O-N 3.18Å; N462-I466 PolarHBondContact O-N 3.36Å
463	E	72.3	Confident	75.1	Confident	100 Å²	100	59.4 Å²	59.4	47%	0.467	29%	0.288	S	S	.	.	H	α-helix	trans	-51.9	-39.6	-178.4	-63.8	-161.9	138.3	0	0	112.4	W248 K251 S465 I466 M467	W248-E463 PolarHBondContact NE1-O 2.75Å; K251-E463 VanDerWaalsContact NZ-CD 3.28Å; K251-E463 IonicContact NZ-OE1 2.66Å; K251-E463 PolarHBondContact NZ-OE1 3.03Å; K251-E463 IonicContact NZ-OE2 3.74Å; K251-E463 PolarHBondContact NZ-OE2 2.92Å; E463-S465 PolarHBondContact O-N 3.11Å; E463-I466 PolarHBondContact O-N 3.33Å; E463-M467 PolarHBondContact O-N 3.12Å
464	D	75.6	Confident	76.2	Confident	130 Å²	130	57.3 Å²	57.3	70%	0.695	28%	0.275	S	S	*	.	H	α-helix	trans	-63.7	-37.1	178.1	-60.5	-32.2	0	0	0	112.9	N462 M467 G468	N462-D464 PolarHBondContact O-N 3.12Å; N462-D464 VanDerWaalsContact O-N 3.14Å; D464-M467 PolarHBondContact O-N 3.16Å; D464-G468 PolarHBondContact O-N 3.47Å
465	S	80.5	Confident	77.4	Confident	3 Å²	3	56.3 Å²	56.3	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-69.8	-38.8	178.1	-175.1	0	0	0	0	111.2	S454 R459 R460 N462 E463 G468 V469	S454-S465 PolarHBondContact O-OG 2.82Å; R459-S465 WeakPolarHBondContact O-CB 3.32Å; R460-S465 WeakPolarHBondContact CA-OG 3.37Å; N462-S465 WeakPolarHBondContact O-CB 3.11Å; N462-S465 PolarHBondContact O-N 3.18Å; E463-S465 PolarHBondContact O-N 3.11Å; S465-G468 PolarHBondContact O-N 2.79Å; S465-V469 WeakPolarHBondContact O-CG2 3.32Å; S465-V469 PolarHBondContact O-N 2.97Å
466	I	87.4	Confident	79.2	Confident	9 Å²	9	55.8 Å²	55.8	5%	0.046	26%	0.264	C	S	.	.	H	α-helix	trans	-64.9	-45.6	175.5	-52.5	175.5	0	0	0	109.8	F214 Y245 W248 N462 E463 G468 V469 V470	F214-I466 HydrophobicContact CD2-CG2 3.6Å; F214-I466 HydrophobicContact CE2-CG2 4.11Å; F214-I466 HydrophobicContact CG-CG2 4.25Å; Y245-I466 HydrophobicContact CD1-CD1 3.69Å; Y245-I466 HydrophobicContact CD1-CG1 4.3Å; Y245-I466 HydrophobicContact CD1-CG2 4.33Å; Y245-I466 HydrophobicContact CE1-CD1 3.59Å; Y245-I466 HydrophobicContact CE1-CG1 3.79Å; Y245-I466 HydrophobicContact CE1-CG2 4.26Å; W248-I466 HydrophobicContact CB-CD1 4.22Å; W248-I466 HydrophobicContact CD2-CB 4.01Å; W248-I466 HydrophobicContact CD2-CD1 4.34Å; W248-I466 HydrophobicContact CD2-CG2 3.44Å; W248-I466 VanDerWaalsContact CD2-CG2 3.44Å; W248-I466 VanDerWaalsContact CE2-CG2 3.49Å; W248-I466 HydrophobicContact CE3-CG2 3.54Å; W248-I466 HydrophobicContact CG-CB 4.36Å; W248-I466 HydrophobicContact CG-CD1 3.88Å; W248-I466 HydrophobicContact CG-CG2 4.13Å; W248-I466 HydrophobicContact CH2-CG2 3.83Å; W248-I466 HydrophobicContact CZ2-CB 4.03Å; W248-I466 HydrophobicContact CZ2-CG2 3.7Å; W248-I466 HydrophobicContact CZ3-CG2 3.73Å; N462-I466 PolarHBondContact O-N 3.36Å; E463-I466 PolarHBondContact O-N 3.33Å; I466-G468 VanDerWaalsContact C-N 3.29Å; I466-G468 PolarHBondContact O-N 3.26Å; I466-V469 PolarHBondContact O-N 3.35Å; I466-V470 WeakPolarHBondContact O-CG2 3.36Å; I466-V470 PolarHBondContact O-N 3.49Å
467	M	89.9	Confident	81.1	Confident	48 Å²	48	54.9 Å²	54.9	24%	0.236	26%	0.258	C	S	.	.	H	α-helix	trans	-58.5	-43.5	175.1	-172.9	58.4	76.3	0	0	111.1	W248 N252 F336 E463 D464 V469 V470 T471	W248-M467 HydrophobicContact CH2-CE 4.37Å; W248-M467 HydrophobicContact CH2-SD 4.48Å; W248-M467 HydrophobicContact CZ2-CB 4.02Å; W248-M467 HydrophobicContact CZ2-CE 3.79Å; W248-M467 HydrophobicContact CZ2-SD 4.15Å; N252-M467 VanDerWaalsContact OD1-CE 3.28Å; N252-M467 WeakPolarHBondContact OD1-CE 3.34Å; F336-M467 HydrophobicContact CD1-CE 3.94Å; F336-M467 HydrophobicContact CD1-SD 4.49Å; F336-M467 HydrophobicContact CD2-CE 4.28Å; F336-M467 HydrophobicContact CD2-SD 4.01Å; F336-M467 HydrophobicContact CE1-CE 4.08Å; F336-M467 HydrophobicContact CE1-SD 4.28Å; F336-M467 HydrophobicContact CE2-CE 4.36Å; F336-M467 HydrophobicContact CE2-SD 3.71Å; F336-M467 HydrophobicContact CG-CE 4.06Å; F336-M467 HydrophobicContact CG-SD 4.39Å; F336-M467 HydrophobicContact CZ-CE 4.29Å; F336-M467 HydrophobicContact CZ-SD 3.87Å; E463-M467 PolarHBondContact O-N 3.12Å; D464-M467 PolarHBondContact O-N 3.16Å; M467-V469 PolarHBondContact O-N 2.9Å; M467-V470 PolarHBondContact O-N 3.43Å; M467-T471 PolarHBondContact O-N 2.91Å; M467-T471 PolarHBondContact O-OG1 2.89Å; M467-T471 VanDerWaalsContact O-OG1 3.11Å
468	G	90	Very high	83	Confident	4 Å²	4	54.6 Å²	54.6	4%	0.041	25%	0.251	C	S	.	.	H	α-helix	trans	-58.8	-45.8	178.6	0	0	0	0	0	113.5	R451 D464 S465 I466 T471 D472	R451-G468 VanDerWaalsContact CD-CA 3.44Å; R451-G468 PolarHBondContact NH1-O 3.38Å; D464-G468 PolarHBondContact O-N 3.47Å; S465-G468 PolarHBondContact O-N 2.79Å; I466-G468 VanDerWaalsContact C-N 3.29Å; I466-G468 PolarHBondContact O-N 3.26Å; G468-T471 PolarHBondContact O-N 2.69Å; G468-D472 PolarHBondContact O-N 2.85Å
469	V	91.5	Very high	85.3	Confident	29 Å²	29	45.3 Å²	45.3	18%	0.176	21%	0.21	C	C	.	.	H	α-helix	trans	-64.2	-41.3	175.6	173.6	0	0	0	0	111.5	F214 S465 I466 M467 D472 V473 V490	F214-V469 HydrophobicContact CB-CG1 4.48Å; F214-V469 HydrophobicContact CD1-CG1 4.11Å; S465-V469 WeakPolarHBondContact O-CG2 3.32Å; S465-V469 PolarHBondContact O-N 2.97Å; I466-V469 PolarHBondContact O-N 3.35Å; M467-V469 PolarHBondContact O-N 2.9Å; V469-D472 PolarHBondContact O-N 2.93Å; V469-V473 HydrophobicContact CG1-CG2 4.42Å; V469-V473 WeakPolarHBondContact O-CG2 3.11Å; V469-V473 PolarHBondContact O-N 3.27Å; V469-V490 HydrophobicContact CG1-CG2 4.09Å
470	V	94.8	Very high	87.3	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65	-43.5	178.1	168.5	0	0	0	0	111.5	F214 W248 F253 F336 I466 M467 D472 V473 F474	F214-V470 HydrophobicContact CD1-CG2 4.09Å; F214-V470 HydrophobicContact CD2-CG2 4.34Å; F214-V470 HydrophobicContact CE1-CG2 3.47Å; F214-V470 VanDerWaalsContact CE1-CG2 3.47Å; F214-V470 HydrophobicContact CE2-CG2 3.74Å; F214-V470 HydrophobicContact CG-CG2 4.49Å; F214-V470 HydrophobicContact CZ-CG2 3.28Å; W248-V470 HydrophobicContact CH2-CB 4.07Å; W248-V470 HydrophobicContact CH2-CG1 4.36Å; W248-V470 HydrophobicContact CH2-CG2 3.59Å; W248-V470 HydrophobicContact CZ3-CG2 3.89Å; F253-V470 HydrophobicContact CE1-CG1 4.38Å; F253-V470 HydrophobicContact CZ-CG1 3.89Å; F253-V470 HydrophobicContact CZ-CG2 4.39Å; F336-V470 HydrophobicContact CZ-CG1 3.83Å; I466-V470 WeakPolarHBondContact O-CG2 3.36Å; I466-V470 PolarHBondContact O-N 3.49Å; M467-V470 PolarHBondContact O-N 3.43Å; V470-D472 VanDerWaalsContact C-N 3.31Å; V470-D472 PolarHBondContact O-N 3.08Å; V470-V473 PolarHBondContact O-N 3.48Å; V470-F474 HydrophobicContact CG1-CD2 3.78Å; V470-F474 HydrophobicContact CG1-CE2 3.48Å; V470-F474 VanDerWaalsContact CG1-CE2 3.48Å; V470-F474 HydrophobicContact CG1-CZ 4.24Å; V470-F474 WeakPolarHBondContact O-CD2 2.9Å; V470-F474 PolarHBondContact O-N 3.41Å
471	T	95	Very high	89.4	Confident	7 Å²	7	37.4 Å²	37.4	4%	0.043	18%	0.182	C	C	.	.	H	α-helix	trans	-61.1	-40.8	174.6	-59.2	0	0	0	0	111.2	L338 D341 R451 M467 G468 F474 A475	L338-T471 HydrophobicContact CD2-CG2 4.1Å; D341-T471 HydrophobicContact CB-CG2 4.32Å; R451-T471 VanDerWaalsContact NH1-CG2 3.27Å; M467-T471 PolarHBondContact O-N 2.91Å; M467-T471 PolarHBondContact O-OG1 2.89Å; M467-T471 VanDerWaalsContact O-OG1 3.11Å; G468-T471 PolarHBondContact O-N 2.69Å; T471-F474 PolarHBondContact O-N 2.93Å; T471-A475 VanDerWaalsContact O-CB 3.28Å; T471-A475 WeakPolarHBondContact O-CB 3.24Å; T471-A475 PolarHBondContact O-N 2.98Å
472	D	95.9	Very high	91.4	Very high	13 Å²	13	28.6 Å²	28.6	7%	0.07	14%	0.143	C	C	.	.	H	α-helix	trans	-64.6	-45	175.1	-84.4	-18.2	0	0	0	112.8	Y424 A426 R451 G468 V469 V470 F474 A475 L476	Y424-D472 PolarHBondContact OH-OD1 3.2Å; A426-D472 HydrophobicContact CB-CB 3.86Å; R451-D472 IonicContact CZ-OD1 3.82Å; R451-D472 VanDerWaalsContact NH1-CG 3.35Å; R451-D472 IonicContact NH1-OD1 3.74Å; R451-D472 PolarHBondContact NH1-OD1 2.89Å; R451-D472 IonicContact NH2-OD1 3.93Å; G468-D472 PolarHBondContact O-N 2.85Å; V469-D472 PolarHBondContact O-N 2.93Å; V470-D472 VanDerWaalsContact C-N 3.31Å; V470-D472 PolarHBondContact O-N 3.08Å; D472-F474 VanDerWaalsContact C-N 3.31Å; D472-F474 PolarHBondContact O-N 3.34Å; D472-A475 PolarHBondContact O-N 3.2Å; D472-L476 VanDerWaalsContact O-CB 3.31Å; D472-L476 WeakPolarHBondContact O-CB 3.28Å; D472-L476 WeakPolarHBondContact O-CG 3.32Å; D472-L476 PolarHBondContact O-N 3.11Å
473	V	97.9	Very high	92.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-56.5	-47.7	175.9	164.8	0	0	0	0	110.6	V469 V470 S477 V490 L493 L497	V469-V473 HydrophobicContact CG1-CG2 4.42Å; V469-V473 WeakPolarHBondContact O-CG2 3.11Å; V469-V473 PolarHBondContact O-N 3.27Å; V470-V473 PolarHBondContact O-N 3.48Å; V473-S477 WeakPolarHBondContact O-CB 3.48Å; V473-S477 PolarHBondContact O-N 3.3Å; V473-V490 HydrophobicContact CG2-CG1 3.79Å; V473-L493 HydrophobicContact CG1-CB 4.47Å; V473-L493 HydrophobicContact CG1-CD2 3.91Å; V473-L493 HydrophobicContact CG1-CG 3.83Å; V473-L493 HydrophobicContact CG2-CD2 4.2Å; V473-L497 HydrophobicContact CG1-CD1 3.56Å
474	F	98	Very high	94	Very high	25 Å²	25	19.2 Å²	19.2	11%	0.11	10%	0.096	C	C	.	.	H	α-helix	trans	-67.4	-42	178.8	-72.3	-38.8	0	0	0	112.6	F253 M332 P334 F336 L338 F342 V470 T471 D472 S477 R478 L497	F253-F474 HydrophobicContact CE1-CE2 4.16Å; F253-F474 AromaticContact CE1-CZ 3.94Å; F253-F474 HydrophobicContact CE1-CZ 3.94Å; F253-F474 HydrophobicContact CZ-CZ 4.42Å; M332-F474 HydrophobicContact CB-CE1 4.17Å; M332-F474 HydrophobicContact CB-CZ 4.01Å; M332-F474 HydrophobicContact CE-CE1 4.13Å; M332-F474 HydrophobicContact CE-CZ 4.09Å; M332-F474 VanDerWaalsContact O-CZ 3.31Å; M332-F474 WeakPolarHBondContact O-CZ 3.24Å; P334-F474 HydrophobicContact CB-CE2 4.49Å; F336-F474 HydrophobicContact CE2-CE2 4.44Å; F336-F474 HydrophobicContact CZ-CE2 4.04Å; L338-F474 HydrophobicContact CD1-CB 4.36Å; L338-F474 HydrophobicContact CD1-CD2 3.46Å; L338-F474 VanDerWaalsContact CD1-CD2 3.46Å; L338-F474 HydrophobicContact CD1-CE2 4.08Å; L338-F474 HydrophobicContact CD1-CG 4.29Å; F342-F474 HydrophobicContact CE1-CB 4.48Å; F342-F474 HydrophobicContact CE2-CB 4.13Å; F342-F474 HydrophobicContact CZ-CB 3.5Å; F342-F474 VanDerWaalsContact CZ-CB 3.5Å; V470-F474 HydrophobicContact CG1-CD2 3.78Å; V470-F474 HydrophobicContact CG1-CE2 3.48Å; V470-F474 VanDerWaalsContact CG1-CE2 3.48Å; V470-F474 HydrophobicContact CG1-CZ 4.24Å; V470-F474 WeakPolarHBondContact O-CD2 2.9Å; V470-F474 PolarHBondContact O-N 3.41Å; T471-F474 PolarHBondContact O-N 2.93Å; D472-F474 VanDerWaalsContact C-N 3.31Å; D472-F474 PolarHBondContact O-N 3.34Å; F474-S477 WeakPolarHBondContact CA-OG 3.38Å; F474-S477 PolarHBondContact O-N 3.04Å; F474-S477 PolarHBondContact O-OG 3.38Å; F474-R478 WeakPolarHBondContact O-CG 3.35Å; F474-R478 PolarHBondContact O-N 2.8Å; F474-L497 HydrophobicContact CD1-CD1 4.07Å; F474-L497 HydrophobicContact CE1-CD1 4.03Å
475	A	97.4	Very high	94.9	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.008	6%	0.064	C	C	.	.	H	α-helix	trans	-59.6	-48.9	175.4	0	0	0	0	0	111.3	F342 F345 Y424 T471 D472 S477 R478 T479	F342-A475 HydrophobicContact CE1-CB 3.97Å; F345-A475 HydrophobicContact CE2-CB 4.14Å; F345-A475 HydrophobicContact CZ-CB 4.05Å; F345-A475 VanDerWaalsContact CZ-O 3.25Å; F345-A475 WeakPolarHBondContact CZ-O 3.13Å; Y424-A475 HydrophobicContact CD1-CB 4.15Å; Y424-A475 HydrophobicContact CD2-CB 4.3Å; Y424-A475 HydrophobicContact CE1-CB 3.57Å; Y424-A475 HydrophobicContact CE2-CB 3.71Å; Y424-A475 HydrophobicContact CG-CB 4.49Å; T471-A475 VanDerWaalsContact O-CB 3.28Å; T471-A475 WeakPolarHBondContact O-CB 3.24Å; T471-A475 PolarHBondContact O-N 2.98Å; D472-A475 PolarHBondContact O-N 3.2Å; A475-S477 VanDerWaalsContact C-N 3.33Å; A475-S477 PolarHBondContact O-N 2.96Å; A475-R478 PolarHBondContact O-N 3.19Å; A475-R478 VanDerWaalsContact O-N 3.13Å; A475-T479 WeakPolarHBondContact O-CG2 3.43Å
476	L	98.5	Very high	95.5	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-58.9	-43.2	176.6	-70.6	170.5	0	0	0	111.6	H357 Y424 A426 D472 R478 T479 L482 V490 A494	H357-L476 HydrophobicContact CB-CD1 3.94Å; Y424-L476 HydrophobicContact CD1-CD2 4.06Å; Y424-L476 HydrophobicContact CD1-CG 4.47Å; A426-L476 HydrophobicContact CB-CD1 3.75Å; A426-L476 HydrophobicContact CB-CD2 4.12Å; A426-L476 HydrophobicContact CB-CG 4.06Å; D472-L476 VanDerWaalsContact O-CB 3.31Å; D472-L476 WeakPolarHBondContact O-CB 3.28Å; D472-L476 WeakPolarHBondContact O-CG 3.32Å; D472-L476 PolarHBondContact O-N 3.11Å; L476-R478 PolarHBondContact O-N 2.88Å; L476-R478 VanDerWaalsContact O-N 3.17Å; L476-T479 WeakPolarHBondContact O-CB 3.4Å; L476-T479 PolarHBondContact O-N 2.96Å; L476-T479 VanDerWaalsContact O-N 3.08Å; L476-T479 PolarHBondContact O-OG1 3.28Å; L476-L482 HydrophobicContact CB-CD1 4.15Å; L476-L482 HydrophobicContact CD2-CD1 3.84Å; L476-L482 HydrophobicContact CG-CD1 4.44Å; L476-V490 HydrophobicContact CD1-CG1 4.43Å; L476-A494 HydrophobicContact CB-CB 3.63Å; L476-A494 HydrophobicContact CD1-CB 4.2Å
477	S	98	Very high	95.7	Very high	11 Å²	11	12.6 Å²	12.6	8%	0.077	6%	0.061	C	C	.	.	H	α-helix	trans	-63.5	-19.5	179	77	0	0	0	0	114.1	V473 F474 A475 A494 M498	V473-S477 WeakPolarHBondContact O-CB 3.48Å; V473-S477 PolarHBondContact O-N 3.3Å; F474-S477 WeakPolarHBondContact CA-OG 3.38Å; F474-S477 PolarHBondContact O-N 3.04Å; F474-S477 PolarHBondContact O-OG 3.38Å; A475-S477 VanDerWaalsContact C-N 3.33Å; A475-S477 PolarHBondContact O-N 2.96Å; S477-A494 VanDerWaalsContact CB-O 3.3Å; S477-A494 WeakPolarHBondContact CB-O 3.47Å; S477-M498 WeakPolarHBondContact O-CA 3.45Å; S477-M498 WeakPolarHBondContact O-CB 3.33Å; S477-M498 WeakPolarHBondContact O-CG 3.27Å
478	R	96.4	Very high	95.9	Very high	84 Å²	84	10.7 Å²	10.7	32%	0.317	5%	0.052	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-8.2	177	-73.2	179.5	169.6	-87.8	1.9	113.7	F342 F345 Q348 F474 A475 L476 E504	F342-R478 VanDerWaalsContact CD2-NE 3.33Å; F345-R478 HydrophobicContact CD2-CB 4.16Å; F345-R478 HydrophobicContact CE1-CB 4.47Å; F345-R478 HydrophobicContact CE2-CB 4.11Å; F345-R478 HydrophobicContact CG-CB 4.37Å; F345-R478 HydrophobicContact CZ-CB 4.26Å; Q348-R478 PolarHBondContact NE2-O 3.42Å; F474-R478 WeakPolarHBondContact O-CG 3.35Å; F474-R478 PolarHBondContact O-N 2.8Å; A475-R478 PolarHBondContact O-N 3.19Å; A475-R478 VanDerWaalsContact O-N 3.13Å; L476-R478 PolarHBondContact O-N 2.88Å; L476-R478 VanDerWaalsContact O-N 3.17Å; R478-E504 IonicContact NH1-OE1 2.84Å; R478-E504 IonicContact NH1-OE2 3.44Å
479	T	97.8	Very high	96	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.059	C	C	.	.	S	Bend	trans	-70.1	156.7	-177.2	61.6	0	0	0	0	112.2	F345 I353 A475 L476 Y481 M498	F345-T479 HydrophobicContact CE1-CG2 3.98Å; F345-T479 HydrophobicContact CZ-CG2 4.35Å; I353-T479 HydrophobicContact CG2-CG2 4.16Å; I353-T479 WeakPolarHBondContact O-CB 3.47Å; A475-T479 WeakPolarHBondContact O-CG2 3.43Å; L476-T479 WeakPolarHBondContact O-CB 3.4Å; L476-T479 PolarHBondContact O-N 2.96Å; L476-T479 VanDerWaalsContact O-N 3.08Å; L476-T479 PolarHBondContact O-OG1 3.28Å; T479-Y481 VanDerWaalsContact C-N 3.3Å; T479-Y481 PolarHBondContact OG1-O 3.5Å; T479-M498 WeakPolarHBondContact O-CE 3.41Å
480	N	96.9	Very high	96.2	Very high	20 Å²	20	12.1 Å²	12.1	11%	0.107	6%	0.058	C	C	.	.	S	Bend	trans	-78	-19.3	179.3	-58.7	99.9	0	0	0	112.7	P352 I353 Y383 Q511	P352-N480 WeakPolarHBondContact CA-OD1 3.21Å; P352-N480 HydrophobicContact CB-CB 3.96Å; I353-N480 PolarHBondContact N-OD1 2.88Å; I353-N480 PolarHBondContact O-N 3.18Å; Y383-N480 WeakPolarHBondContact OH-CB 3.38Å; Y383-N480 PolarHBondContact OH-O 2.84Å; N480-Q511 PolarHBondContact O-NE2 2.84Å
481	Y	98.2	Very high	96.3	Very high	18 Å²	18	12.1 Å²	12.1	7%	0.071	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	134.9	175.3	-161.5	-113.4	0	0	0	109.1	V354 G355 Y383 T479 V483 Q511 F512 R513	V354-Y481 CarbonylContact C-O 3.25Å; V354-Y481 WeakPolarHBondContact CA-O 3.41Å; V354-Y481 HydrophobicContact CG1-CD1 4.34Å; V354-Y481 WeakPolarHBondContact CG1-O 3.37Å; G355-Y481 PolarHBondContact N-O 3.28Å; Y383-Y481 AromaticContact CD2-CD1 3.76Å; Y383-Y481 HydrophobicContact CD2-CD1 3.76Å; Y383-Y481 AromaticContact CD2-CD2 3.55Å; Y383-Y481 HydrophobicContact CD2-CD2 3.55Å; Y383-Y481 HydrophobicContact CD2-CE1 4.29Å; Y383-Y481 HydrophobicContact CD2-CE2 4.14Å; Y383-Y481 AromaticContact CD2-CG 3.36Å; Y383-Y481 HydrophobicContact CD2-CG 3.36Å; Y383-Y481 HydrophobicContact CE2-CD1 4.5Å; Y383-Y481 AromaticContact CE2-CD2 3.67Å; Y383-Y481 HydrophobicContact CE2-CD2 3.67Å; Y383-Y481 AromaticContact CE2-CG 3.67Å; Y383-Y481 HydrophobicContact CE2-CG 3.67Å; Y383-Y481 AromaticContact CG-CD1 3.86Å; Y383-Y481 HydrophobicContact CG-CD1 3.86Å; Y383-Y481 HydrophobicContact CG-CD2 4.43Å; Y383-Y481 AromaticContact CG-CG 3.81Å; Y383-Y481 HydrophobicContact CG-CG 3.81Å; T479-Y481 VanDerWaalsContact C-N 3.3Å; T479-Y481 PolarHBondContact OG1-O 3.5Å; Y481-V483 HydrophobicContact CD1-CG2 3.94Å; Y481-V483 HydrophobicContact CE1-CG2 4.06Å; Y481-Q511 WeakPolarHBondContact CA-O 3.28Å; Y481-Q511 HydrophobicContact CD2-CB 4.26Å; Y481-Q511 WeakPolarHBondContact CD2-O 3.46Å; Y481-Q511 VanDerWaalsContact CE2-C 3.45Å; Y481-F512 PolarHBondContact OH-O 3.02Å; Y481-R513 HydrophobicContact CE1-CB 3.88Å
482	L	98.7	Very high	96.4	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118.9	-177.1	177.6	62.5	0	0	0	110.8	G355 L476 C484 A494 M498 Q511 F512 R513	G355-L482 CarbonylContact O-C 3.59Å; L476-L482 HydrophobicContact CB-CD1 4.15Å; L476-L482 HydrophobicContact CD2-CD1 3.84Å; L476-L482 HydrophobicContact CG-CD1 4.44Å; L482-C484 HydrophobicContact CD1-CB 4.46Å; L482-C484 VanDerWaalsContact CG-SG 3.57Å; L482-A494 HydrophobicContact CD2-CB 4.25Å; L482-M498 HydrophobicContact CB-SD 4.5Å; L482-Q511 PolarHBondContact N-O 2.97Å; L482-F512 HydrophobicContact CB-CB 4.39Å; L482-F512 CarbonylContact O-C 3.57Å; L482-F512 WeakPolarHBondContact O-CA 3.35Å; L482-R513 PolarHBondContact O-N 3.43Å
483	V	98.6	Very high	96.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	113	173	-170.6	0	0	0	0	109.3	V354 G355 I356 H357 Y376 E379 V380 Y481 R513 L515	V354-V483 HydrophobicContact CG1-CG2 3.93Å; G355-V483 PolarHBondContact O-N 3.4Å; I356-V483 VanDerWaalsContact CA-O 3.27Å; I356-V483 WeakPolarHBondContact CA-O 3.23Å; I356-V483 HydrophobicContact CG2-CB 4.12Å; H357-V483 PolarHBondContact N-O 3.16Å; H357-V483 VanDerWaalsContact N-O 3.13Å; Y376-V483 HydrophobicContact CD1-CG1 3.99Å; E379-V483 HydrophobicContact CB-CG1 3.95Å; E379-V483 HydrophobicContact CB-CG2 4.17Å; V380-V483 HydrophobicContact CG2-CG2 4.19Å; Y481-V483 HydrophobicContact CD1-CG2 3.94Å; Y481-V483 HydrophobicContact CE1-CG2 4.06Å; V483-R513 CarbonylContact C-O 3.55Å; V483-R513 VanDerWaalsContact CA-O 3.31Å; V483-R513 WeakPolarHBondContact CA-O 3.46Å; V483-R513 HydrophobicContact CG1-CB 4.26Å; V483-R513 HydrophobicContact CG1-CG 4.27Å; V483-R513 HydrophobicContact CG2-CB 4.25Å; V483-L515 HydrophobicContact CG1-CD2 4.27Å; V483-L515 HydrophobicContact CG1-CG 4.43Å
484	C	96.9	Very high	96.6	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.007	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	-163.2	-177.6	58.1	0	0	0	0	112.7	H357 L482 C491 R513 S514 L515	H357-C484 HydrophobicContact CB-CB 3.74Å; L482-C484 HydrophobicContact CD1-CB 4.46Å; L482-C484 VanDerWaalsContact CG-SG 3.57Å; C484-C491 HydrophobicContact CB-CB 3.61Å; C484-C491 WeakPolarHBondContact CB-SG 3.06Å; C484-C491 WeakPolarHBondContact SG-CB 3.25Å; C484-C491 CovalentContact SG-SG 2.01Å; C484-C491 PolarHBondContact SG-SG 3.39Å; C484-R513 PolarHBondContact N-O 2.94Å; C484-S514 CarbonylContact O-C 3.5Å; C484-S514 WeakPolarHBondContact O-CA 3.34Å; C484-L515 PolarHBondContact O-N 2.9Å
485	T	94.3	Very high	96.7	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.012	5%	0.049	C	C	.	.			trans	-121.3	116.6	177.3	51.7	0	0	0	0	108.7	S487 S488 C491 L515 D516	T485-S487 PolarHBondContact O-N 3.12Å; T485-S488 VanDerWaalsContact O-CB 3.27Å; T485-S488 WeakPolarHBondContact O-CB 3.39Å; T485-S488 PolarHBondContact O-N 3.19Å; T485-C491 PolarHBondContact N-SG 3.3Å; T485-C491 VanDerWaalsContact O-CB 3.24Å; T485-C491 WeakPolarHBondContact O-CB 3.48Å; T485-C491 PolarHBondContact O-SG 3.04Å; T485-L515 HydrophobicContact CG2-CB 4.15Å; T485-D516 WeakPolarHBondContact CA-OD1 3.4Å; T485-D516 WeakPolarHBondContact CB-OD1 3.2Å; T485-D516 VanDerWaalsContact CB-OD2 3.28Å; T485-D516 WeakPolarHBondContact CB-OD2 3.37Å
486	F	94.1	Very high	96.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-9.6	-178.6	-77.3	-34.1	0	0	0	114.1	S488 C491 R492 Y495 F512 S514 D516 D517 Y519	F486-S488 PolarHBondContact O-N 3.22Å; F486-C491 WeakPolarHBondContact CD1-SG 3.33Å; F486-R492 HydrophobicContact CB-CG 4.28Å; F486-R492 HydrophobicContact CD1-CG 3.77Å; F486-R492 HydrophobicContact CG-CG 4.34Å; F486-R492 VanDerWaalsContact O-CD 3.27Å; F486-R492 WeakPolarHBondContact O-CD 3.41Å; F486-R492 PolarHBondContact O-NE 3.45Å; F486-Y495 AromaticContact CE1-CD1 3.79Å; F486-Y495 HydrophobicContact CE1-CD1 3.79Å; F486-Y495 AromaticContact CE1-CG 3.9Å; F486-Y495 HydrophobicContact CE1-CG 3.9Å; F486-Y495 AromaticContact CZ-CD1 3.65Å; F486-Y495 HydrophobicContact CZ-CD1 3.65Å; F486-Y495 HydrophobicContact CZ-CD2 4.46Å; F486-Y495 AromaticContact CZ-CE1 3.95Å; F486-Y495 HydrophobicContact CZ-CE1 3.95Å; F486-Y495 AromaticContact CZ-CG 3.92Å; F486-Y495 HydrophobicContact CZ-CG 3.92Å; F486-F512 HydrophobicContact CD2-CE2 4.26Å; F486-F512 HydrophobicContact CE1-CD2 4.41Å; F486-F512 AromaticContact CE2-CD2 3.42Å; F486-F512 HydrophobicContact CE2-CD2 3.42Å; F486-F512 VanDerWaalsContact CE2-CD2 3.42Å; F486-F512 AromaticContact CE2-CE2 3.16Å; F486-F512 HydrophobicContact CE2-CE2 3.16Å; F486-F512 HydrophobicContact CE2-CG 4.28Å; F486-F512 AromaticContact CE2-CZ 3.79Å; F486-F512 HydrophobicContact CE2-CZ 3.79Å; F486-F512 HydrophobicContact CZ-CB 4.45Å; F486-F512 HydrophobicContact CZ-CD1 4.38Å; F486-F512 AromaticContact CZ-CD2 3.3Å; F486-F512 HydrophobicContact CZ-CD2 3.3Å; F486-F512 AromaticContact CZ-CE2 3.56Å; F486-F512 HydrophobicContact CZ-CE2 3.56Å; F486-F512 AromaticContact CZ-CG 3.78Å; F486-F512 HydrophobicContact CZ-CG 3.78Å; F486-F512 HydrophobicContact CZ-CZ 4.15Å; F486-S514 VanDerWaalsContact CD2-CB 3.41Å; F486-S514 PolarHBondContact N-OG 3.2Å; F486-D516 PolarHBondContact N-OD1 3.18Å; F486-D517 HydrophobicContact CB-CB 4.18Å; F486-D517 WeakPolarHBondContact CD2-O 3.14Å; F486-Y519 VanDerWaalsContact CD2-CA 3.5Å
487	S	91.6	Very high	96.7	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.014	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-29.4	161.2	62.1	0	0	0	0	112.3	T485 R492 D516	T485-S487 PolarHBondContact O-N 3.12Å; S487-R492 PolarHBondContact O-NH2 2.88Å; S487-D516 WeakPolarHBondContact CB-OD2 3.43Å; S487-D516 PolarHBondContact N-OD1 3.45Å; S487-D516 PolarHBondContact OG-OD2 3.3Å
488	S	93	Very high	96.8	Very high	7 Å²	7	10.2 Å²	10.2	5%	0.049	5%	0.047	C	C	.	.	S	Bend	trans	-79.3	128.7	178.6	176.2	0	0	0	0	112.6	H357 T485 F486 V490 C491 R492	H357-S488 PolarHBondContact CE1-OG 3.46Å; H357-S488 VanDerWaalsContact CE1-OG 3.31Å; T485-S488 VanDerWaalsContact O-CB 3.27Å; T485-S488 WeakPolarHBondContact O-CB 3.39Å; T485-S488 PolarHBondContact O-N 3.19Å; F486-S488 PolarHBondContact O-N 3.22Å; S488-V490 VanDerWaalsContact C-N 3.27Å; S488-V490 PolarHBondContact O-N 3.28Å; S488-V490 PolarHBondContact OG-N 3.46Å; S488-V490 VanDerWaalsContact OG-N 3.15Å; S488-C491 PolarHBondContact O-N 3.42Å; S488-C491 PolarHBondContact OG-N 2.69Å; S488-R492 PolarHBondContact O-N 2.02Å; S488-R492 VanDerWaalsContact O-N 3.13Å
489	Q	93.6	Very high	96.9	Very high	37 Å²	37	6.3 Å²	6.3	17%	0.173	3%	0.032	C	C	.	.	H	α-helix	trans	-61.7	-34.6	170.4	-61.3	-72.5	31.9	0	0	112	C216 H219 L493	C216-Q489 HydrophobicContact CB-CG 4.34Å; H219-Q489 PolarHBondContact CE1-O 3.22Å; H219-Q489 PolarHBondContact CE1-OE1 3.29Å; H219-Q489 PolarHBondContact ND1-OE1 3.42Å; Q489-L493 VanDerWaalsContact O-CB 3.26Å; Q489-L493 WeakPolarHBondContact O-CB 3.16Å; Q489-L493 PolarHBondContact O-N 2.86Å
490	V	94.6	Very high	96.8	Very high	26 Å²	26	7.2 Å²	7.2	16%	0.158	4%	0.039	C	C	.	.	H	α-helix	trans	-66.1	-42.9	179.3	172	0	0	0	0	110.9	V469 V473 L476 S488 A494	V469-V490 HydrophobicContact CG1-CG2 4.09Å; V473-V490 HydrophobicContact CG2-CG1 3.79Å; L476-V490 HydrophobicContact CD1-CG1 4.43Å; S488-V490 VanDerWaalsContact C-N 3.27Å; S488-V490 PolarHBondContact O-N 3.28Å; S488-V490 PolarHBondContact OG-N 3.46Å; S488-V490 VanDerWaalsContact OG-N 3.15Å; V490-A494 WeakPolarHBondContact O-CB 3.15Å; V490-A494 PolarHBondContact O-N 3.5Å
491	C	96.9	Very high	96.6	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-63.2	-47	177.3	166.2	0	0	0	0	111.6	C484 T485 F486 S488 A494 Y495	C484-C491 HydrophobicContact CB-CB 3.61Å; C484-C491 WeakPolarHBondContact CB-SG 3.06Å; C484-C491 WeakPolarHBondContact SG-CB 3.25Å; C484-C491 CovalentContact SG-SG 2.01Å; C484-C491 PolarHBondContact SG-SG 3.39Å; T485-C491 PolarHBondContact N-SG 3.3Å; T485-C491 VanDerWaalsContact O-CB 3.24Å; T485-C491 WeakPolarHBondContact O-CB 3.48Å; T485-C491 PolarHBondContact O-SG 3.04Å; F486-C491 WeakPolarHBondContact CD1-SG 3.33Å; S488-C491 PolarHBondContact O-N 3.42Å; S488-C491 PolarHBondContact OG-N 2.69Å; C491-A494 PolarHBondContact O-N 2.89Å; C491-Y495 WeakPolarHBondContact O-CB 3.29Å; C491-Y495 PolarHBondContact O-N 2.84Å
492	R	98.2	Very high	96.4	Very high	5 Å²	5	6.9 Å²	6.9	2%	0.019	4%	0.038	C	C	.	.	H	α-helix	trans	-62.5	-46.4	176.9	-74.8	-177.9	-77.8	175.7	-12.6	112.4	F486 S487 S488 A494 Y495 E496 Y519 Y520	F486-R492 HydrophobicContact CB-CG 4.28Å; F486-R492 HydrophobicContact CD1-CG 3.77Å; F486-R492 HydrophobicContact CG-CG 4.34Å; F486-R492 VanDerWaalsContact O-CD 3.27Å; F486-R492 WeakPolarHBondContact O-CD 3.41Å; F486-R492 PolarHBondContact O-NE 3.45Å; S487-R492 PolarHBondContact O-NH2 2.88Å; S488-R492 PolarHBondContact O-N 2.02Å; S488-R492 VanDerWaalsContact O-N 3.13Å; R492-A494 VanDerWaalsContact C-N 3.34Å; R492-A494 PolarHBondContact O-N 3.24Å; R492-Y495 CarbonylContact O-C 3.58Å; R492-Y495 WeakPolarHBondContact O-CB 3.22Å; R492-Y495 PolarHBondContact O-N 3.34Å; R492-Y495 VanDerWaalsContact O-N 3.12Å; R492-E496 WeakPolarHBondContact O-CB 3.48Å; R492-E496 VanDerWaalsContact O-CG 3.23Å; R492-E496 WeakPolarHBondContact O-CG 3.4Å; R492-E496 PolarHBondContact O-N 2.88Å; R492-Y519 HydrophobicContact CG-CD2 4.39Å; R492-Y520 WeakPolarHBondContact CD-O 3.21Å; R492-Y520 PolarHBondContact NH1-O 3Å; R492-Y520 PolarHBondContact NH2-OH 2.67Å
493	L	98.7	Very high	96.1	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.7	-43.1	178.2	-176.5	61.2	0	0	0	111.9	F214 A218 M222 M332 V473 Q489 E496 L497	F214-L493 HydrophobicContact CE1-CD2 4.11Å; A218-L493 HydrophobicContact CB-CD1 4.39Å; A218-L493 HydrophobicContact CB-CD2 3.72Å; M222-L493 HydrophobicContact CE-CD1 4.24Å; M222-L493 HydrophobicContact SD-CD1 3.54Å; M222-L493 VanDerWaalsContact SD-CD1 3.54Å; M332-L493 HydrophobicContact CE-CD2 4.32Å; M332-L493 HydrophobicContact SD-CD1 4.08Å; M332-L493 HydrophobicContact SD-CD2 4.14Å; M332-L493 HydrophobicContact SD-CG 4.44Å; V473-L493 HydrophobicContact CG1-CB 4.47Å; V473-L493 HydrophobicContact CG1-CD2 3.91Å; V473-L493 HydrophobicContact CG1-CG 3.83Å; V473-L493 HydrophobicContact CG2-CD2 4.2Å; Q489-L493 VanDerWaalsContact O-CB 3.26Å; Q489-L493 WeakPolarHBondContact O-CB 3.16Å; Q489-L493 PolarHBondContact O-N 2.86Å; L493-E496 PolarHBondContact O-N 3.35Å; L493-L497 HydrophobicContact CD1-CD1 4.37Å; L493-L497 HydrophobicContact CD1-CG 4.43Å; L493-L497 HydrophobicContact CG-CD1 4.24Å; L493-L497 WeakPolarHBondContact O-CB 3.25Å; L493-L497 WeakPolarHBondContact O-CG 3.5Å; L493-L497 PolarHBondContact O-N 2.68Å
494	A	98.8	Very high	95.6	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62	-43.1	174.9	0	0	0	0	0	111.8	L476 S477 L482 V490 C491 R492 M498	L476-A494 HydrophobicContact CB-CB 3.63Å; L476-A494 HydrophobicContact CD1-CB 4.2Å; S477-A494 VanDerWaalsContact CB-O 3.3Å; S477-A494 WeakPolarHBondContact CB-O 3.47Å; L482-A494 HydrophobicContact CD2-CB 4.25Å; V490-A494 WeakPolarHBondContact O-CB 3.15Å; V490-A494 PolarHBondContact O-N 3.5Å; C491-A494 PolarHBondContact O-N 2.89Å; R492-A494 VanDerWaalsContact C-N 3.34Å; R492-A494 PolarHBondContact O-N 3.24Å; A494-M498 VanDerWaalsContact O-CB 3.29Å; A494-M498 WeakPolarHBondContact O-CB 3.49Å; A494-M498 PolarHBondContact O-N 2.9Å
495	Y	98.8	Very high	95.4	Very high	4 Å²	4	16.3 Å²	16.3	2%	0.016	9%	0.085	C	C	.	.	H	α-helix	trans	-65.3	-38.7	176.6	175.8	-120.2	0	0	0	112.7	V321 F486 C491 R492 M498 Q499 S509 F512 Y519	V321-Y495 HydrophobicContact CB-CE1 4.23Å; V321-Y495 HydrophobicContact CG1-CD1 3.72Å; V321-Y495 HydrophobicContact CG1-CE1 3.45Å; V321-Y495 VanDerWaalsContact CG1-CE1 3.45Å; V321-Y495 HydrophobicContact CG2-CE1 3.89Å; F486-Y495 AromaticContact CE1-CD1 3.79Å; F486-Y495 HydrophobicContact CE1-CD1 3.79Å; F486-Y495 AromaticContact CE1-CG 3.9Å; F486-Y495 HydrophobicContact CE1-CG 3.9Å; F486-Y495 AromaticContact CZ-CD1 3.65Å; F486-Y495 HydrophobicContact CZ-CD1 3.65Å; F486-Y495 HydrophobicContact CZ-CD2 4.46Å; F486-Y495 AromaticContact CZ-CE1 3.95Å; F486-Y495 HydrophobicContact CZ-CE1 3.95Å; F486-Y495 AromaticContact CZ-CG 3.92Å; F486-Y495 HydrophobicContact CZ-CG 3.92Å; C491-Y495 WeakPolarHBondContact O-CB 3.29Å; C491-Y495 PolarHBondContact O-N 2.84Å; R492-Y495 CarbonylContact O-C 3.58Å; R492-Y495 WeakPolarHBondContact O-CB 3.22Å; R492-Y495 PolarHBondContact O-N 3.34Å; R492-Y495 VanDerWaalsContact O-N 3.12Å; Y495-M498 HydrophobicContact CD2-SD 4.39Å; Y495-M498 WeakPolarHBondContact O-CB 3.41Å; Y495-M498 PolarHBondContact O-N 2.8Å; Y495-Q499 WeakPolarHBondContact O-CG 3.24Å; Y495-Q499 PolarHBondContact O-N 3.17Å; Y495-Q499 PolarHBondContact O-NE2 2.82Å; Y495-S509 PolarHBondContact OH-O 3.35Å; Y495-S509 VanDerWaalsContact OH-O 3.06Å; Y495-F512 HydrophobicContact CD2-CB 3.97Å; Y495-F512 HydrophobicContact CD2-CD1 4.05Å; Y495-F512 HydrophobicContact CD2-CG 4.16Å; Y495-F512 HydrophobicContact CE1-CD1 4.4Å; Y495-F512 HydrophobicContact CE1-CE1 4.45Å; Y495-F512 HydrophobicContact CE2-CB 4.04Å; Y495-F512 AromaticContact CE2-CD1 3.29Å; Y495-F512 HydrophobicContact CE2-CD1 3.29Å; Y495-F512 AromaticContact CE2-CE1 4Å; Y495-F512 HydrophobicContact CE2-CE1 4Å; Y495-F512 AromaticContact CE2-CG 3.87Å; Y495-F512 HydrophobicContact CE2-CG 3.87Å; Y495-F512 AromaticContact CZ-CD1 3.51Å; Y495-F512 AromaticContact CZ-CE1 3.71Å; Y495-F512 WeakPolarHBondContact OH-CE1 3.35Å; Y495-Y519 AromaticContact CD1-CD2 3.63Å; Y495-Y519 HydrophobicContact CD1-CD2 3.63Å; Y495-Y519 HydrophobicContact CD1-CE2 4.05Å; Y495-Y519 HydrophobicContact CD1-CG 4.43Å; Y495-Y519 AromaticContact CE1-CD2 3.76Å; Y495-Y519 HydrophobicContact CE1-CD2 3.76Å; Y495-Y519 HydrophobicContact CE1-CE2 4.32Å; Y495-Y519 HydrophobicContact CE1-CG 4.13Å
496	E	98.9	Very high	95.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.7	-48.8	176	-71	165.3	-176.6	0	0	111.1	H219 M222 V321 I324 G325 R492 L493 M498 Q499 Y519	H219-E496 IonicContact CD2-OE1 2.86Å; H219-E496 IonicContact CD2-OE2 3.44Å; H219-E496 PolarHBondContact CD2-OE2 2.84Å; H219-E496 VanDerWaalsContact CD2-OE2 3.29Å; H219-E496 IonicContact NE2-OE1 3.29Å; H219-E496 PolarHBondContact NE2-OE1 3Å; H219-E496 IonicContact NE2-OE2 3.75Å; H219-E496 PolarHBondContact NE2-OE2 3.17Å; M222-E496 HydrophobicContact CE-CB 4.35Å; M222-E496 WeakPolarHBondContact CE-OE2 3.39Å; V321-E496 HydrophobicContact CG1-CG 4.07Å; I324-E496 HydrophobicContact CG2-CB 4.25Å; I324-E496 HydrophobicContact CG2-CG 3.73Å; G325-E496 VanDerWaalsContact CA-O 3.24Å; G325-E496 WeakPolarHBondContact CA-O 3.32Å; R492-E496 WeakPolarHBondContact O-CB 3.48Å; R492-E496 VanDerWaalsContact O-CG 3.23Å; R492-E496 WeakPolarHBondContact O-CG 3.4Å; R492-E496 PolarHBondContact O-N 2.88Å; L493-E496 PolarHBondContact O-N 3.35Å; E496-M498 VanDerWaalsContact C-N 3.3Å; E496-M498 PolarHBondContact O-N 3.35Å; E496-Q499 WeakPolarHBondContact O-CB 3.18Å; E496-Q499 PolarHBondContact O-N 2.86Å; E496-Y519 HydrophobicContact CG-CE2 4Å; E496-Y519 PolarHBondContact OE1-OH 3.22Å; E496-Y519 VanDerWaalsContact OE1-OH 3.1Å
497	L	98.8	Very high	95.3	Very high	8 Å²	8	17.2 Å²	17.2	4%	0.042	9%	0.09	C	C	.	.	H	α-helix	trans	-64.4	-34.1	177	-69.1	173.1	0	0	0	112.6	M332 V473 F474 L493 Q499 S500	M332-L497 HydrophobicContact CE-CD1 4.37Å; M332-L497 HydrophobicContact SD-CD1 4.05Å; V473-L497 HydrophobicContact CG1-CD1 3.56Å; F474-L497 HydrophobicContact CD1-CD1 4.07Å; F474-L497 HydrophobicContact CE1-CD1 4.03Å; L493-L497 HydrophobicContact CD1-CD1 4.37Å; L493-L497 HydrophobicContact CD1-CG 4.43Å; L493-L497 HydrophobicContact CG-CD1 4.24Å; L493-L497 WeakPolarHBondContact O-CB 3.25Å; L493-L497 WeakPolarHBondContact O-CG 3.5Å; L493-L497 PolarHBondContact O-N 2.68Å; L497-Q499 PolarHBondContact O-N 3.4Å; L497-S500 WeakPolarHBondContact O-CB 3.38Å; L497-S500 PolarHBondContact O-N 3.18Å; L497-S500 PolarHBondContact O-OG 3.12Å
498	M	98.6	Very high	95.6	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-55.9	-33.5	175.4	-176.8	-172.8	-169.4	0	0	112	S477 T479 L482 A494 Y495 E496 S500 N501 L505 A508 Q511	S477-M498 WeakPolarHBondContact O-CA 3.45Å; S477-M498 WeakPolarHBondContact O-CB 3.33Å; S477-M498 WeakPolarHBondContact O-CG 3.27Å; T479-M498 WeakPolarHBondContact O-CE 3.41Å; L482-M498 HydrophobicContact CB-SD 4.5Å; A494-M498 VanDerWaalsContact O-CB 3.29Å; A494-M498 WeakPolarHBondContact O-CB 3.49Å; A494-M498 PolarHBondContact O-N 2.9Å; Y495-M498 HydrophobicContact CD2-SD 4.39Å; Y495-M498 WeakPolarHBondContact O-CB 3.41Å; Y495-M498 PolarHBondContact O-N 2.8Å; E496-M498 VanDerWaalsContact C-N 3.3Å; E496-M498 PolarHBondContact O-N 3.35Å; M498-S500 PolarHBondContact O-N 3.37Å; M498-S500 VanDerWaalsContact O-N 3.14Å; M498-N501 PolarHBondContact O-N 3.3Å; M498-L505 HydrophobicContact CE-CD1 3.79Å; M498-L505 HydrophobicContact CG-CD1 3.54Å; M498-A508 HydrophobicContact CE-CB 4.16Å; M498-A508 HydrophobicContact CG-CB 4.03Å; M498-A508 HydrophobicContact SD-CB 4.37Å; M498-Q511 HydrophobicContact CE-CB 3.36Å; M498-Q511 HydrophobicContact CE-CG 4.37Å; M498-Q511 WeakPolarHBondContact CE-O 3.18Å; M498-Q511 HydrophobicContact SD-CB 4.43Å
499	Q	98.2	Very high	95.7	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-7.4	-179.9	-51.2	-41.3	-60.7	0	0	113.5	H316 V321 W322 Y495 E496 L497 H502 A508	H316-Q499 PolarHBondContact CE1-OE1 2.93Å; H316-Q499 PolarHBondContact NE2-OE1 2.84Å; V321-Q499 HydrophobicContact CB-CG 4.13Å; V321-Q499 HydrophobicContact CG1-CG 3.47Å; V321-Q499 VanDerWaalsContact CG1-CG 3.47Å; W322-Q499 HydrophobicContact CB-CB 4.45Å; W322-Q499 VanDerWaalsContact CD1-O 3.26Å; Y495-Q499 WeakPolarHBondContact O-CG 3.24Å; Y495-Q499 PolarHBondContact O-N 3.17Å; Y495-Q499 PolarHBondContact O-NE2 2.82Å; E496-Q499 WeakPolarHBondContact O-CB 3.18Å; E496-Q499 PolarHBondContact O-N 2.86Å; L497-Q499 PolarHBondContact O-N 3.4Å; Q499-H502 PolarHBondContact O-CD2 2.85Å; Q499-H502 PolarHBondContact O-NE2 3.28Å; Q499-H502 VanDerWaalsContact O-NE2 3.11Å; Q499-A508 PolarHBondContact OE1-O 3.09Å
500	S	96.3	Very high	95.7	Very high	19 Å²	19	17 Å²	17	13%	0.133	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-2	-179.7	82.2	0	0	0	0	113.9	L497 M498 H502	L497-S500 WeakPolarHBondContact O-CB 3.38Å; L497-S500 PolarHBondContact O-N 3.18Å; L497-S500 PolarHBondContact O-OG 3.12Å; M498-S500 PolarHBondContact O-N 3.37Å; M498-S500 VanDerWaalsContact O-N 3.14Å; S500-H502 PolarHBondContact O-CE1 3.18Å
501	N	93.6	Very high	95.7	Very high	31 Å²	31	17.5 Å²	17.5	17%	0.166	9%	0.088	C	C	.	.			trans	-101.1	63.3	-177.5	-170.3	6.6	0	0	0	112.5	M498 L503 E504 L505	M498-N501 PolarHBondContact O-N 3.3Å; N501-L503 PolarHBondContact O-N 2.99Å; N501-E504 PolarHBondContact ND2-OE2 2.67Å; N501-E504 WeakPolarHBondContact OD1-CB 3.48Å; N501-L505 HydrophobicContact CB-CD1 4.19Å; N501-L505 HydrophobicContact CB-CG 4.41Å; N501-L505 WeakPolarHBondContact O-CB 3.35Å; N501-L505 PolarHBondContact O-N 2.98Å
502	H	94.1	Very high	95.7	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-37.7	-171.1	-36.3	104	0	0	0	113.1	I175 L178 E179 S182 W322 Q326 Q499 S500 E504 G506	I175-H502 WeakPolarHBondContact CG1-O 3.47Å; L178-H502 HydrophobicContact CB-CB 3.95Å; E179-H502 IonicContact OE2-CE1 3.9Å; E179-H502 IonicContact OE2-CG 3.33Å; E179-H502 IonicContact OE2-ND1 2.66Å; E179-H502 PolarHBondContact OE2-ND1 2.91Å; S182-H502 WeakPolarHBondContact CB-CE1 3.4Å; W322-H502 AromaticContact CD1-NE2 3.74Å; W322-H502 AromaticContact CE2-NE2 3.86Å; W322-H502 AromaticContact NE1-CD2 3.63Å; W322-H502 AromaticContact NE1-CE1 3.92Å; W322-H502 AromaticContact NE1-NE2 2.91Å; W322-H502 PolarHBondContact NE1-NE2 3.47Å; Q326-H502 PolarHBondContact NE2-CE1 2.62Å; Q326-H502 PolarHBondContact NE2-NE2 2.92Å; Q499-H502 PolarHBondContact O-CD2 2.85Å; Q499-H502 PolarHBondContact O-NE2 3.28Å; Q499-H502 VanDerWaalsContact O-NE2 3.11Å; S500-H502 PolarHBondContact O-CE1 3.18Å; H502-E504 VanDerWaalsContact C-N 3.35Å; H502-E504 PolarHBondContact O-N 3.28Å; H502-G506 VanDerWaalsContact O-CA 3.23Å; H502-G506 WeakPolarHBondContact O-CA 3.27Å; H502-G506 PolarHBondContact O-N 2.98Å
503	L	90.4	Very high	95.6	Very high	109 Å²	109	19.5 Å²	19.5	57%	0.571	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-43.2	-177.3	-63.4	179	0	0	0	111.6	I175 E179 N501	I175-L503 HydrophobicContact CG2-CD2 3.93Å; E179-L503 HydrophobicContact CB-CD2 4.45Å; E179-L503 HydrophobicContact CG-CD2 4.14Å; E179-L503 HydrophobicContact CG-CG 4.47Å; N501-L503 PolarHBondContact O-N 2.99Å
504	E	88.8	Confident	95.3	Very high	83 Å²	83	19.5 Å²	19.5	39%	0.388	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-37.5	-177.9	-62.1	175.1	-178.2	0	0	112.3	K405 R478 N501 H502	K405-E504 WeakPolarHBondContact CE-O 3Å; K405-E504 PolarHBondContact NZ-O 3.16Å; R478-E504 IonicContact NH1-OE1 2.84Å; R478-E504 IonicContact NH1-OE2 3.44Å; N501-E504 PolarHBondContact ND2-OE2 2.67Å; N501-E504 WeakPolarHBondContact OD1-CB 3.48Å; H502-E504 VanDerWaalsContact C-N 3.35Å; H502-E504 PolarHBondContact O-N 3.28Å
505	L	92.4	Very high	95	Very high	6 Å²	6	20.7 Å²	20.7	3%	0.031	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-36.9	-170.1	-54.9	-179.8	0	0	0	113.1	K405 M498 N501 A508 Q511	K405-L505 VanDerWaalsContact NZ-C 3.28Å; K405-L505 PolarHBondContact NZ-O 2.82Å; M498-L505 HydrophobicContact CE-CD1 3.79Å; M498-L505 HydrophobicContact CG-CD1 3.54Å; N501-L505 HydrophobicContact CB-CD1 4.19Å; N501-L505 HydrophobicContact CB-CG 4.41Å; N501-L505 WeakPolarHBondContact O-CB 3.35Å; N501-L505 PolarHBondContact O-N 2.98Å; L505-A508 HydrophobicContact CB-CB 4.02Å; L505-A508 HydrophobicContact CD1-CB 4.31Å; L505-Q511 PolarHBondContact O-OE1 3.2Å
506	G	93	Very high	94.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	80.7	-133.1	-174.1	0	0	0	0	0	111.4	H502 A508	H502-G506 VanDerWaalsContact O-CA 3.23Å; H502-G506 WeakPolarHBondContact O-CA 3.27Å; H502-G506 PolarHBondContact O-N 2.98Å; G506-A508 PolarHBondContact O-N 2.75Å; G506-A508 VanDerWaalsContact O-N 3.12Å
507	D	94.8	Very high	94.2	Very high	21 Å²	21	25 Å²	25	11%	0.112	13%	0.126	C	C	.	.	S	Bend	trans	-77.4	91	171.1	178.7	4.5	0	0	0	109.3	R101 H316 G317 S509	R101-D507 IonicContact NH1-OD2 3.86Å; H316-D507 IonicContact CD2-OD1 2.98Å; H316-D507 IonicContact CE1-OD1 2.79Å; H316-D507 IonicContact CG-OD1 2.84Å; H316-D507 IonicContact ND1-OD1 2.72Å; H316-D507 IonicContact NE2-OD1 2.67Å; G317-D507 PolarHBondContact N-OD1 3.41Å; G317-D507 VanDerWaalsContact N-OD1 3.11Å; G317-D507 PolarHBondContact N-OD2 3.09Å; G317-D507 VanDerWaalsContact N-OD2 3.07Å; D507-S509 PolarHBondContact O-N 3.18Å; D507-S509 WeakPolarHBondContact OD1-CB 3.39Å; D507-S509 PolarHBondContact OD1-N 3.31Å; D507-S509 PolarHBondContact OD1-OG 3.28Å
508	A	96.1	Very high	93.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-83.1	6.4	-176.8	0	0	0	0	0	113.8	M498 Q499 L505 G506 Q510 Q511	M498-A508 HydrophobicContact CE-CB 4.16Å; M498-A508 HydrophobicContact CG-CB 4.03Å; M498-A508 HydrophobicContact SD-CB 4.37Å; Q499-A508 PolarHBondContact OE1-O 3.09Å; L505-A508 HydrophobicContact CB-CB 4.02Å; L505-A508 HydrophobicContact CD1-CB 4.31Å; G506-A508 PolarHBondContact O-N 2.75Å; G506-A508 VanDerWaalsContact O-N 3.12Å; A508-Q510 PolarHBondContact O-N 3.29Å; A508-Q511 HydrophobicContact CB-CB 4.4Å; A508-Q511 HydrophobicContact CB-CG 4.47Å; A508-Q511 WeakPolarHBondContact O-CB 2.98Å; A508-Q511 PolarHBondContact O-N 3.48Å
509	S	95.9	Very high	93.6	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.007	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-61.9	-15.4	-175.3	62	0	0	0	0	114.5	G317 Y495 D507 F512	G317-S509 WeakPolarHBondContact CA-OG 3.38Å; G317-S509 PolarHBondContact N-OG 2.98Å; Y495-S509 PolarHBondContact OH-O 3.35Å; Y495-S509 VanDerWaalsContact OH-O 3.06Å; D507-S509 PolarHBondContact O-N 3.18Å; D507-S509 WeakPolarHBondContact OD1-CB 3.39Å; D507-S509 PolarHBondContact OD1-N 3.31Å; D507-S509 PolarHBondContact OD1-OG 3.28Å; S509-F512 WeakPolarHBondContact O-CD1 3.36Å; S509-F512 WeakPolarHBondContact O-CE1 3.27Å
510	Q	93.5	Very high	93.4	Very high	41 Å²	41	31 Å²	31	19%	0.192	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-114.8	5.6	-179.8	-68.8	-64.6	-42.7	0	0	111.8	L104 R108 A508 F512	L104-Q510 HydrophobicContact CD2-CB 4.39Å; L104-Q510 HydrophobicContact CD2-CG 4.31Å; R108-Q510 VanDerWaalsContact CZ-O 3.29Å; R108-Q510 PolarHBondContact NH1-O 3.3Å; R108-Q510 PolarHBondContact NH2-O 3.45Å; A508-Q510 PolarHBondContact O-N 3.29Å; Q510-F512 PolarHBondContact O-N 2.98Å
511	Q	95.5	Very high	93.3	Very high	36 Å²	36	30.2 Å²	30.2	17%	0.168	15%	0.146	C	C	.	.	S	Bend	trans	-92.8	38.6	-177	-66.6	-179.3	-124.7	0	0	112.3	N480 Y481 L482 M498 L505 A508	N480-Q511 PolarHBondContact O-NE2 2.84Å; Y481-Q511 WeakPolarHBondContact CA-O 3.28Å; Y481-Q511 HydrophobicContact CD2-CB 4.26Å; Y481-Q511 WeakPolarHBondContact CD2-O 3.46Å; Y481-Q511 VanDerWaalsContact CE2-C 3.45Å; L482-Q511 PolarHBondContact N-O 2.97Å; M498-Q511 HydrophobicContact CE-CB 3.36Å; M498-Q511 HydrophobicContact CE-CG 4.37Å; M498-Q511 WeakPolarHBondContact CE-O 3.18Å; M498-Q511 HydrophobicContact SD-CB 4.43Å; L505-Q511 PolarHBondContact O-OE1 3.2Å; A508-Q511 HydrophobicContact CB-CB 4.4Å; A508-Q511 HydrophobicContact CB-CG 4.47Å; A508-Q511 WeakPolarHBondContact O-CB 2.98Å; A508-Q511 PolarHBondContact O-N 3.48Å
512	F	96.7	Very high	93.2	Very high	33 Å²	33	29.8 Å²	29.8	15%	0.145	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	164.9	177	78.4	-88.4	0	0	0	111.7	Y481 L482 F486 Y495 S509 Q510	Y481-F512 PolarHBondContact OH-O 3.02Å; L482-F512 HydrophobicContact CB-CB 4.39Å; L482-F512 CarbonylContact O-C 3.57Å; L482-F512 WeakPolarHBondContact O-CA 3.35Å; F486-F512 HydrophobicContact CD2-CE2 4.26Å; F486-F512 HydrophobicContact CE1-CD2 4.41Å; F486-F512 AromaticContact CE2-CD2 3.42Å; F486-F512 HydrophobicContact CE2-CD2 3.42Å; F486-F512 VanDerWaalsContact CE2-CD2 3.42Å; F486-F512 AromaticContact CE2-CE2 3.16Å; F486-F512 HydrophobicContact CE2-CE2 3.16Å; F486-F512 HydrophobicContact CE2-CG 4.28Å; F486-F512 AromaticContact CE2-CZ 3.79Å; F486-F512 HydrophobicContact CE2-CZ 3.79Å; F486-F512 HydrophobicContact CZ-CB 4.45Å; F486-F512 HydrophobicContact CZ-CD1 4.38Å; F486-F512 AromaticContact CZ-CD2 3.3Å; F486-F512 HydrophobicContact CZ-CD2 3.3Å; F486-F512 AromaticContact CZ-CE2 3.56Å; F486-F512 HydrophobicContact CZ-CE2 3.56Å; F486-F512 AromaticContact CZ-CG 3.78Å; F486-F512 HydrophobicContact CZ-CG 3.78Å; F486-F512 HydrophobicContact CZ-CZ 4.15Å; Y495-F512 HydrophobicContact CD2-CB 3.97Å; Y495-F512 HydrophobicContact CD2-CD1 4.05Å; Y495-F512 HydrophobicContact CD2-CG 4.16Å; Y495-F512 HydrophobicContact CE1-CD1 4.4Å; Y495-F512 HydrophobicContact CE1-CE1 4.45Å; Y495-F512 HydrophobicContact CE2-CB 4.04Å; Y495-F512 AromaticContact CE2-CD1 3.29Å; Y495-F512 HydrophobicContact CE2-CD1 3.29Å; Y495-F512 AromaticContact CE2-CE1 4Å; Y495-F512 HydrophobicContact CE2-CE1 4Å; Y495-F512 AromaticContact CE2-CG 3.87Å; Y495-F512 HydrophobicContact CE2-CG 3.87Å; Y495-F512 AromaticContact CZ-CD1 3.51Å; Y495-F512 AromaticContact CZ-CE1 3.71Å; Y495-F512 WeakPolarHBondContact OH-CE1 3.35Å; S509-F512 WeakPolarHBondContact O-CD1 3.36Å; S509-F512 WeakPolarHBondContact O-CE1 3.27Å; Q510-F512 PolarHBondContact O-N 2.98Å
513	R	94.9	Very high	93	Very high	15 Å²	15	31.9 Å²	31.9	6%	0.057	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	121	166.2	178.3	57.7	168.4	153.8	1.1	109.2	Y112 E379 Y481 L482 V483 C484 L515 W553	Y112-R513 PolarHBondContact OH-NH1 2.92Å; E379-R513 HydrophobicContact CB-CG 3.88Å; E379-R513 HydrophobicContact CG-CG 3.66Å; E379-R513 IonicContact OE1-CZ 3.48Å; E379-R513 VanDerWaalsContact OE1-CZ 3.24Å; E379-R513 IonicContact OE1-NE 3.32Å; E379-R513 PolarHBondContact OE1-NE 3.39Å; E379-R513 IonicContact OE1-NH2 3.85Å; E379-R513 PolarHBondContact OE1-NH2 3.49Å; E379-R513 IonicContact OE2-NE 3.82Å; Y481-R513 HydrophobicContact CE1-CB 3.88Å; L482-R513 PolarHBondContact O-N 3.43Å; V483-R513 CarbonylContact C-O 3.55Å; V483-R513 VanDerWaalsContact CA-O 3.31Å; V483-R513 WeakPolarHBondContact CA-O 3.46Å; V483-R513 HydrophobicContact CG1-CB 4.26Å; V483-R513 HydrophobicContact CG1-CG 4.27Å; V483-R513 HydrophobicContact CG2-CB 4.25Å; C484-R513 PolarHBondContact N-O 2.94Å; R513-L515 HydrophobicContact CG-CD2 4.48Å; R513-W553 VanDerWaalsContact NH1-CG 3.25Å; R513-W553 VanDerWaalsContact NH1-CZ3 3.29Å
514	S	94.3	Very high	93.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	135.7	169.2	-173.3	0	0	0	0	110	C484 F486 D516 D517	C484-S514 CarbonylContact O-C 3.5Å; C484-S514 WeakPolarHBondContact O-CA 3.34Å; F486-S514 VanDerWaalsContact CD2-CB 3.41Å; F486-S514 PolarHBondContact N-OG 3.2Å; S514-D516 PolarHBondContact OG-OD1 2.75Å; S514-D516 VanDerWaalsContact OG-OD1 3.08Å; S514-D517 WeakPolarHBondContact CB-O 3.36Å; S514-D517 PolarHBondContact OG-O 3.49Å
515	L	92.4	Very high	93.2	Very high	24 Å²	24	28.1 Å²	28.1	13%	0.126	15%	0.15	C	C	.	.	S	Bend	trans	-86.6	-10.5	176.8	-59.9	-174.4	0	0	0	113.5	H371 E375 Y376 E379 V483 C484 T485 R513	H371-L515 HydrophobicContact CB-CD1 4.1Å; H371-L515 PolarHBondContact CE1-O 2.72Å; E375-L515 HydrophobicContact CB-CD1 4.08Å; Y376-L515 HydrophobicContact CD1-CD1 3.65Å; Y376-L515 HydrophobicContact CD2-CD1 3.83Å; Y376-L515 HydrophobicContact CE1-CD1 3.61Å; Y376-L515 HydrophobicContact CE1-CG 4.45Å; Y376-L515 HydrophobicContact CE2-CD1 3.8Å; Y376-L515 HydrophobicContact CG-CD1 3.76Å; E379-L515 HydrophobicContact CG-CD2 4.09Å; V483-L515 HydrophobicContact CG1-CD2 4.27Å; V483-L515 HydrophobicContact CG1-CG 4.43Å; C484-L515 PolarHBondContact O-N 2.9Å; T485-L515 HydrophobicContact CG2-CB 4.15Å; R513-L515 HydrophobicContact CG-CD2 4.48Å
516	D	89.8	Confident	93	Very high	33 Å²	33	31.4 Å²	31.4	18%	0.176	17%	0.173	C	C	.	.	S	Bend	trans	-128.5	-95.5	-179.1	58.7	-0.7	0	0	0	111.4	T485 F486 S487 S514 W553	T485-D516 WeakPolarHBondContact CA-OD1 3.4Å; T485-D516 WeakPolarHBondContact CB-OD1 3.2Å; T485-D516 VanDerWaalsContact CB-OD2 3.28Å; T485-D516 WeakPolarHBondContact CB-OD2 3.37Å; F486-D516 PolarHBondContact N-OD1 3.18Å; S487-D516 WeakPolarHBondContact CB-OD2 3.43Å; S487-D516 PolarHBondContact N-OD1 3.45Å; S487-D516 PolarHBondContact OG-OD2 3.3Å; S514-D516 PolarHBondContact OG-OD1 2.75Å; S514-D516 VanDerWaalsContact OG-OD1 3.08Å; D516-W553 PolarHBondContact O-NE1 3.09Å; D516-W553 VanDerWaalsContact O-NE1 3.14Å
517	D	89.8	Confident	92.7	Very high	61 Å²	61	32.4 Å²	32.4	33%	0.326	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-78.2	157.3	-171.7	-67.7	-35.4	0	0	0	111.5	F486 S514 Y520	F486-D517 HydrophobicContact CB-CB 4.18Å; F486-D517 WeakPolarHBondContact CD2-O 3.14Å; S514-D517 WeakPolarHBondContact CB-O 3.36Å; S514-D517 PolarHBondContact OG-O 3.49Å; D517-Y520 HydrophobicContact CB-CD1 4.33Å; D517-Y520 HydrophobicContact CB-CE1 4.05Å
518	I	91	Very high	92.3	Very high	34 Å²	34	32.4 Å²	32.4	17%	0.174	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-69.8	164	158.2	58.4	159.4	0	0	0	109.8	Y520 F548 N551	I518-Y520 WeakPolarHBondContact O-CD1 3.45Å; I518-Y520 PolarHBondContact O-N 3.09Å; I518-F548 HydrophobicContact CD1-CD1 3.74Å; I518-F548 HydrophobicContact CD1-CE1 4.32Å; I518-F548 HydrophobicContact CG2-CD1 4.46Å; I518-F548 HydrophobicContact CG2-CE1 3.96Å; I518-N551 HydrophobicContact CG2-CB 4.11Å
519	Y	94.2	Very high	92.2	Very high	37 Å²	37	34.7 Å²	34.7	15%	0.145	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-61	134.7	175.2	170.6	-89.3	0	0	0	110.4	F320 V321 F486 R492 Y495 E496	F320-Y519 AromaticContact CD1-CE1 3.95Å; F320-Y519 HydrophobicContact CD1-CE1 3.95Å; F320-Y519 HydrophobicContact CE1-CE1 4.23Å; F320-Y519 VanDerWaalsContact CE1-OH 3.32Å; F320-Y519 WeakPolarHBondContact CE1-OH 3.35Å; V321-Y519 HydrophobicContact CG1-CE2 4.29Å; V321-Y519 HydrophobicContact CG2-CD1 3.79Å; V321-Y519 HydrophobicContact CG2-CD2 4.33Å; V321-Y519 HydrophobicContact CG2-CE1 3.54Å; V321-Y519 HydrophobicContact CG2-CE2 4.08Å; V321-Y519 HydrophobicContact CG2-CG 4.17Å; F486-Y519 VanDerWaalsContact CD2-CA 3.5Å; R492-Y519 HydrophobicContact CG-CD2 4.39Å; Y495-Y519 AromaticContact CD1-CD2 3.63Å; Y495-Y519 HydrophobicContact CD1-CD2 3.63Å; Y495-Y519 HydrophobicContact CD1-CE2 4.05Å; Y495-Y519 HydrophobicContact CD1-CG 4.43Å; Y495-Y519 AromaticContact CE1-CD2 3.76Å; Y495-Y519 HydrophobicContact CE1-CD2 3.76Å; Y495-Y519 HydrophobicContact CE1-CE2 4.32Å; Y495-Y519 HydrophobicContact CE1-CG 4.13Å; E496-Y519 HydrophobicContact CG-CE2 4Å; E496-Y519 PolarHBondContact OE1-OH 3.22Å; E496-Y519 VanDerWaalsContact OE1-OH 3.1Å
520	Y	94.3	Very high	92.2	Very high	66 Å²	66	37.7 Å²	37.7	26%	0.259	20%	0.204	S	C	.	.			trans	-149.4	150.8	170.4	70.4	-80.9	0	0	0	110.2	R492 D517 I518	R492-Y520 WeakPolarHBondContact CD-O 3.21Å; R492-Y520 PolarHBondContact NH1-O 3Å; R492-Y520 PolarHBondContact NH2-OH 2.67Å; D517-Y520 HydrophobicContact CB-CD1 4.33Å; D517-Y520 HydrophobicContact CB-CE1 4.05Å; I518-Y520 WeakPolarHBondContact O-CD1 3.45Å; I518-Y520 PolarHBondContact O-N 3.09Å
521	F	94.8	Very high	92.3	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.013	20%	0.195	C	C	.	.			trans	-89.8	129.1	167.6	-160.5	-88.4	0	0	0	109.2	H219 H223 I290 P301 F320 I324 G523 Q524	H219-F521 HydrophobicContact CB-CE2 4.33Å; H219-F521 HydrophobicContact CB-CZ 4.01Å; H219-F521 AromaticContact CD2-CE2 3.68Å; H219-F521 WeakPolarHBondContact O-CZ 3.23Å; H223-F521 HydrophobicContact CB-CE1 4.04Å; H223-F521 HydrophobicContact CB-CZ 4.2Å; I290-F521 HydrophobicContact CD1-CD1 3.83Å; I290-F521 HydrophobicContact CD1-CE1 3.9Å; P301-F521 HydrophobicContact CB-CB 3.95Å; P301-F521 HydrophobicContact CB-CD1 3.61Å; P301-F521 HydrophobicContact CB-CE1 4.28Å; P301-F521 HydrophobicContact CB-CG 3.82Å; P301-F521 HydrophobicContact CG-CD1 3.77Å; P301-F521 HydrophobicContact CG-CE1 3.92Å; P301-F521 HydrophobicContact CG-CG 4.3Å; F320-F521 HydrophobicContact CE1-CB 3.9Å; F320-F521 AromaticContact CE1-CD2 3.99Å; F320-F521 HydrophobicContact CE1-CD2 3.99Å; F320-F521 HydrophobicContact CE1-CG 4.18Å; F320-F521 HydrophobicContact CZ-CB 4.28Å; F320-F521 HydrophobicContact CZ-CD2 4.02Å; F320-F521 HydrophobicContact CZ-CG 4.18Å; I324-F521 HydrophobicContact CD1-CE2 4.01Å; I324-F521 HydrophobicContact CD1-CZ 4.33Å; I324-F521 HydrophobicContact CG1-CD2 4.25Å; I324-F521 HydrophobicContact CG1-CE2 3.69Å; I324-F521 HydrophobicContact CG1-CZ 4.46Å; F521-G523 PolarHBondContact O-N 2.77Å; F521-Q524 HydrophobicContact CB-CB 4.18Å; F521-Q524 WeakPolarHBondContact O-CB 3.5Å; F521-Q524 WeakPolarHBondContact O-CG 3.32Å; F521-Q524 PolarHBondContact O-N 2.81Å; F521-Q524 PolarHBondContact O-OE1 3.15Å
522	G	91	Very high	92.3	Very high	22 Å²	22	36.1 Å²	36.1	23%	0.227	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	125.9	-176.4	0	0	0	0	0	111.5	I290 Q524	I290-G522 WeakPolarHBondContact CG2-O 3.35Å; G522-Q524 VanDerWaalsContact C-N 3.28Å; G522-Q524 PolarHBondContact O-N 2.71Å
523	G	88.9	Confident	92.3	Very high	44 Å²	44	37.2 Å²	37.2	45%	0.454	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	17.2	-178	0	0	0	0	0	115.1	I290 F521	I290-G523 WeakPolarHBondContact CD1-O 3.42Å; I290-G523 WeakPolarHBondContact CG1-O 3.44Å; F521-G523 PolarHBondContact O-N 2.77Å
524	Q	92.5	Very high	92.4	Very high	62 Å²	62	39.1 Å²	39.1	29%	0.29	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-55.4	156.9	173.3	65.9	176.5	48.7	0	0	113.8	P301 F521 G522	P301-Q524 HydrophobicContact CB-CB 4.34Å; P301-Q524 CarbonylContact O-C 3.36Å; P301-Q524 VanDerWaalsContact O-CA 3.24Å; P301-Q524 WeakPolarHBondContact O-CA 3.38Å; P301-Q524 WeakPolarHBondContact O-CB 3.5Å; F521-Q524 HydrophobicContact CB-CB 4.18Å; F521-Q524 WeakPolarHBondContact O-CB 3.5Å; F521-Q524 WeakPolarHBondContact O-CG 3.32Å; F521-Q524 PolarHBondContact O-N 2.81Å; F521-Q524 PolarHBondContact O-OE1 3.15Å; G522-Q524 VanDerWaalsContact C-N 3.28Å; G522-Q524 PolarHBondContact O-N 2.71Å
525	Q	91.9	Very high	92.3	Very high	52 Å²	52	39.6 Å²	39.6	24%	0.243	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-67.5	163.9	166.3	68.9	172.6	-60.5	0	0	111.5	D298 I300 P301 S527 L580	D298-Q525 PolarHBondContact O-NE2 2.97Å; I300-Q525 HydrophobicContact CB-CB 4.27Å; I300-Q525 HydrophobicContact CB-CG 4.35Å; I300-Q525 HydrophobicContact CG2-CB 4.08Å; I300-Q525 HydrophobicContact CG2-CG 4.42Å; I300-Q525 PolarHBondContact O-NE2 3.03Å; P301-Q525 WeakPolarHBondContact O-CG 3.35Å; P301-Q525 PolarHBondContact O-N 3.43Å; Q525-S527 PolarHBondContact O-N 3.37Å; Q525-L580 HydrophobicContact CG-CD1 4.04Å
526	S	88.5	Confident	92.4	Very high	74 Å²	74	47.7 Å²	47.7	52%	0.517	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-61.6	125.3	175.5	-171.1	0	0	0	0	110.5
527	S	87	Confident	92.5	Very high	21 Å²	21	54 Å²	54	15%	0.147	29%	0.285	C	S	.	.			trans	-117.5	103.3	176.9	-174.5	0	0	0	0	108.9	Q525	Q525-S527 PolarHBondContact O-N 3.37Å
528	P	86.4	Confident	92.7	Very high	21 Å²	21	52.2 Å²	52.2	14%	0.136	28%	0.275	C	S	.	.			trans	-73.6	140.1	-174.9	29.6	-34	0	0	0	110.9	L545 L562 R578	P528-L545 HydrophobicContact CB-CB 4.35Å; P528-L545 HydrophobicContact CB-CD2 4.44Å; P528-L562 HydrophobicContact CB-CD1 4.06Å; P528-R578 WeakPolarHBondContact O-CB 3.19Å; P528-R578 PolarHBondContact O-N 3.34Å
529	Y	93.8	Very high	92.8	Very high	49 Å²	49	55.2 Å²	55.2	19%	0.192	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	154.2	162	-80.1	-125.3	0	0	0	108.5	L545 V546 F548 F575 S576	Y529-L545 WeakPolarHBondContact O-CA 3.36Å; Y529-V546 PolarHBondContact N-O 2.97Å; Y529-V546 PolarHBondContact O-N 2.71Å; Y529-F548 HydrophobicContact CD1-CB 3.95Å; Y529-F548 AromaticContact CD1-CD2 3.51Å; Y529-F548 HydrophobicContact CD1-CD2 3.51Å; Y529-F548 HydrophobicContact CD1-CE2 4.14Å; Y529-F548 AromaticContact CD1-CG 3.83Å; Y529-F548 HydrophobicContact CD1-CG 3.83Å; Y529-F548 HydrophobicContact CD2-CB 3.46Å; Y529-F548 VanDerWaalsContact CD2-CB 3.46Å; Y529-F548 HydrophobicContact CD2-CG 4.2Å; Y529-F548 HydrophobicContact CE1-CB 4.2Å; Y529-F548 HydrophobicContact CE1-CD1 4.32Å; Y529-F548 AromaticContact CE1-CD2 3.83Å; Y529-F548 HydrophobicContact CE1-CD2 3.83Å; Y529-F548 HydrophobicContact CE1-CE2 4.22Å; Y529-F548 AromaticContact CE1-CG 3.87Å; Y529-F548 HydrophobicContact CE1-CG 3.87Å; Y529-F548 HydrophobicContact CE2-CB 3.75Å; Y529-F548 HydrophobicContact CE2-CG 4.25Å; Y529-F548 HydrophobicContact CG-CB 3.58Å; Y529-F548 AromaticContact CG-CD2 3.94Å; Y529-F548 HydrophobicContact CG-CD2 3.94Å; Y529-F548 AromaticContact CG-CG 4Å; Y529-F548 HydrophobicContact CG-CG 4Å; Y529-F575 HydrophobicContact CD1-CB 4.12Å; Y529-S576 CarbonylContact C-O 3.59Å; Y529-S576 WeakPolarHBondContact CA-O 3.27Å
530	E	95.3	Very high	92.8	Very high	63 Å²	63	53.6 Å²	53.6	29%	0.294	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.1	175.7	-174	178.4	171.1	0	0	109.4	I532 L545 F575 S576 R578	E530-I532 PolarHBondContact O-N 3.33Å; E530-L545 HydrophobicContact CB-CD2 4.4Å; E530-F575 WeakPolarHBondContact O-CA 3.46Å; E530-S576 PolarHBondContact N-O 2.05Å; E530-S576 PolarHBondContact O-N 2.58Å; E530-R578 HydrophobicContact CB-CG 3.9Å; E530-R578 IonicContact OE2-NE 3.32Å
531	T	95.7	Very high	92.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	120.9	167	-56	0	0	0	0	108.1	I533 L540 S541 P542 G543 D544 F575	T531-I533 VanDerWaalsContact CG2-O 3.22Å; T531-I533 WeakPolarHBondContact CG2-O 3.4Å; T531-L540 HydrophobicContact CG2-CB 4.09Å; T531-S541 WeakPolarHBondContact CB-O 3.46Å; T531-S541 WeakPolarHBondContact CG2-O 3.44Å; T531-P542 CarbonylContact O-C 3.56Å; T531-P542 WeakPolarHBondContact O-CA 3.38Å; T531-G543 PolarHBondContact O-N 2.78Å; T531-D544 PolarHBondContact N-O 2.85Å; T531-D544 PolarHBondContact OG1-O 3.48Å; T531-F575 HydrophobicContact CG2-CE1 4.47Å; T531-F575 WeakPolarHBondContact OG1-CE1 3.1Å
532	I	95.8	Very high	93	Very high	44 Å²	44	57.1 Å²	57.1	23%	0.226	32%	0.319	C	S	.	.			trans	-108.4	-17.9	178	57.3	162.8	0	0	0	112.7	Y106 E530 K574	Y106-I532 WeakPolarHBondContact OH-CD1 3.28Å; E530-I532 PolarHBondContact O-N 3.33Å; I532-K574 WeakPolarHBondContact CG1-O 3.32Å; I532-K574 PolarHBondContact N-O 3.07Å
533	I	95.9	Very high	93.1	Very high	57 Å²	57	57.9 Å²	57.9	29%	0.292	33%	0.327	S	S	.	.	S	Bend	trans	-128.8	130.8	175.6	-63.6	171.2	0	0	0	107.8	Y106 T531 F573 K574	Y106-I533 WeakPolarHBondContact OH-CD1 3.35Å; T531-I533 VanDerWaalsContact CG2-O 3.22Å; T531-I533 WeakPolarHBondContact CG2-O 3.4Å; I533-F573 HydrophobicContact CD1-CD2 3.96Å; I533-F573 HydrophobicContact CD1-CE2 3.89Å; I533-K574 HydrophobicContact CB-CB 4.19Å; I533-K574 HydrophobicContact CB-CG 4.07Å; I533-K574 HydrophobicContact CG2-CD 4.42Å; I533-K574 HydrophobicContact CG2-CG 4.22Å; I533-K574 PolarHBondContact N-O 3.12Å
534	S	96.3	Very high	93.4	Very high	55 Å²	55	57.4 Å²	57.4	39%	0.385	31%	0.314	S	S	.	.			trans	-58.7	143.7	-178.8	60.2	0	0	0	0	113	L540 K574	S534-L540 CarbonylContact C-O 3.59Å; S534-L540 WeakPolarHBondContact CA-O 3.45Å; S534-K574 PolarHBondContact O-NZ 3.33Å; S534-K574 VanDerWaalsContact O-NZ 3.14Å
535	D	94	Very high	93.5	Very high	10 Å²	10	57.3 Å²	57.3	5%	0.053	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-128.4	90.3	168.3	-162.6	25.3	0	0	0	110.6	E537 N538 D539 L540 A570 K574	D535-E537 VanDerWaalsContact C-N 3.29Å; D535-E537 PolarHBondContact O-N 2.95Å; D535-N538 PolarHBondContact O-N 2.85Å; D535-N538 PolarHBondContact OD2-ND2 2.95Å; D535-D539 PolarHBondContact O-N 2.83Å; D535-D539 VanDerWaalsContact O-N 3.12Å; D535-L540 HydrophobicContact CB-CB 4.11Å; D535-L540 HydrophobicContact CB-CD1 4.4Å; D535-L540 PolarHBondContact N-O 2.74Å; D535-L540 PolarHBondContact O-N 3.3Å; D535-A570 VanDerWaalsContact OD2-CB 3.31Å; D535-A570 WeakPolarHBondContact OD2-CB 3.29Å; D535-K574 HydrophobicContact CB-CD 3.88Å; D535-K574 IonicContact OD1-NZ 3.21Å; D535-K574 PolarHBondContact OD1-NZ 3.12Å
536	K	93.3	Very high	93.6	Very high	194 Å²	194	54.9 Å²	54.9	84%	0.843	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-62.9	-34.7	-174.2	-66.9	-176.1	178.7	-179.1	0	112.9	N538 D539	K536-N538 PolarHBondContact O-N 2.89Å; K536-D539 PolarHBondContact O-N 3.48Å
537	E	93.1	Very high	93.8	Very high	166 Å²	166	54.6 Å²	54.6	78%	0.776	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-60.2	-34.8	179	-174.7	176.2	176.9	0	0	111.9	D535	D535-E537 VanDerWaalsContact C-N 3.29Å; D535-E537 PolarHBondContact O-N 2.95Å
538	N	92.2	Very high	93.9	Very high	22 Å²	22	54.5 Å²	54.5	12%	0.118	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-105.4	7	-176.6	-71.6	-52.9	0	0	0	113.8	D535 K536 L540 V568 M569	D535-N538 PolarHBondContact O-N 2.85Å; D535-N538 PolarHBondContact OD2-ND2 2.95Å; K536-N538 PolarHBondContact O-N 2.89Å; N538-L540 HydrophobicContact CB-CD1 4.1Å; N538-L540 HydrophobicContact CB-CG 4.28Å; N538-L540 PolarHBondContact O-N 2.89Å; N538-V568 HydrophobicContact CB-CB 4.2Å; N538-V568 HydrophobicContact CB-CG1 4.28Å; N538-V568 HydrophobicContact CB-CG2 4.04Å; N538-V568 WeakPolarHBondContact OD1-CB 3.35Å; N538-M569 PolarHBondContact ND2-O 3.18Å
539	D	93.5	Very high	93.9	Very high	98 Å²	98	56.8 Å²	56.8	52%	0.524	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	47.6	-175.7	-173	46	0	0	0	113	D535 K536 K561	D535-D539 PolarHBondContact O-N 2.83Å; D535-D539 VanDerWaalsContact O-N 3.12Å; K536-D539 PolarHBondContact O-N 3.48Å; D539-K561 PolarHBondContact O-NZ 3.42Å; D539-K561 IonicContact OD2-NZ 3.74Å
540	L	95	Very high	93.2	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.01	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-111.9	123.1	174.6	-62.6	167.5	0	0	0	110.1	T531 S534 D535 N538 V546 V559 K561 V568 A570 F575	T531-L540 HydrophobicContact CG2-CB 4.09Å; S534-L540 CarbonylContact C-O 3.59Å; S534-L540 WeakPolarHBondContact CA-O 3.45Å; D535-L540 HydrophobicContact CB-CB 4.11Å; D535-L540 HydrophobicContact CB-CD1 4.4Å; D535-L540 PolarHBondContact N-O 2.74Å; D535-L540 PolarHBondContact O-N 3.3Å; N538-L540 HydrophobicContact CB-CD1 4.1Å; N538-L540 HydrophobicContact CB-CG 4.28Å; N538-L540 PolarHBondContact O-N 2.89Å; L540-V546 HydrophobicContact CD2-CG1 3.97Å; L540-V559 HydrophobicContact CD1-CG2 4.16Å; L540-K561 HydrophobicContact CD2-CB 4.16Å; L540-K561 HydrophobicContact CD2-CD 3.91Å; L540-K561 HydrophobicContact CD2-CG 3.94Å; L540-V568 HydrophobicContact CD1-CG2 4.1Å; L540-A570 HydrophobicContact CD1-CB 4.23Å; L540-F575 HydrophobicContact CD1-CE1 3.95Å; L540-F575 HydrophobicContact CD1-CZ 3.74Å
541	S	96	Very high	92.5	Very high	60 Å²	60	52.5 Å²	52.5	42%	0.42	28%	0.284	S	S	.	.			trans	-112	153.1	178.5	-67.4	0	0	0	0	111.3	T531 G543 D544	T531-S541 WeakPolarHBondContact CB-O 3.46Å; T531-S541 WeakPolarHBondContact CG2-O 3.44Å; S541-G543 PolarHBondContact O-N 3.37Å; S541-D544 PolarHBondContact N-OD2 3.3Å; S541-D544 VanDerWaalsContact O-CB 3.27Å; S541-D544 WeakPolarHBondContact O-CB 3.36Å; S541-D544 PolarHBondContact O-N 3.03Å
542	P	96.5	Very high	91.6	Very high	84 Å²	84	56.1 Å²	56.1	55%	0.545	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	130.6	173.6	-27.6	36.1	0	0	0	112	T531	T531-P542 CarbonylContact O-C 3.56Å; T531-P542 WeakPolarHBondContact O-CA 3.38Å
543	G	93.8	Very high	90.8	Very high	38 Å²	38	56.1 Å²	56.1	39%	0.392	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.6	-15.5	-174.6	0	0	0	0	0	115	T531 S541 L545	T531-G543 PolarHBondContact O-N 2.78Å; S541-G543 PolarHBondContact O-N 3.37Å; G543-L545 PolarHBondContact O-N 2.66Å
544	D	94.9	Very high	90.2	Very high	34 Å²	34	56.2 Å²	56.2	18%	0.182	30%	0.299	C	S	.	.			trans	-63.8	127.4	174.7	-78.2	-25.8	0	0	0	110.6	T531 S541 K561	T531-D544 PolarHBondContact N-O 2.85Å; T531-D544 PolarHBondContact OG1-O 3.48Å; S541-D544 PolarHBondContact N-OD2 3.3Å; S541-D544 VanDerWaalsContact O-CB 3.27Å; S541-D544 WeakPolarHBondContact O-CB 3.36Å; S541-D544 PolarHBondContact O-N 3.03Å; D544-K561 VanDerWaalsContact CG-CE 3.41Å; D544-K561 IonicContact OD1-NZ 2.77Å; D544-K561 WeakPolarHBondContact OD2-CE 3.45Å; D544-K561 IonicContact OD2-NZ 3.18Å; D544-K561 PolarHBondContact OD2-NZ 2.86Å
545	L	95.1	Very high	89.7	Confident	60 Å²	60	53.6 Å²	53.6	31%	0.314	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	133.4	175.4	-57.9	-177.2	0	0	0	110.8	P528 Y529 E530 G543 L562	P528-L545 HydrophobicContact CB-CB 4.35Å; P528-L545 HydrophobicContact CB-CD2 4.44Å; Y529-L545 WeakPolarHBondContact O-CA 3.36Å; E530-L545 HydrophobicContact CB-CD2 4.4Å; G543-L545 PolarHBondContact O-N 2.66Å; L545-L562 HydrophobicContact CB-CD1 3.75Å; L545-L562 HydrophobicContact CB-CG 4.31Å; L545-L562 PolarHBondContact O-N 3.08Å
546	V	94.4	Very high	89.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	144.7	179.7	-53.1	0	0	0	0	110.9	Y529 L540 V559 E560 F575	Y529-V546 PolarHBondContact N-O 2.97Å; Y529-V546 PolarHBondContact O-N 2.71Å; L540-V546 HydrophobicContact CD2-CG1 3.97Å; V546-V559 HydrophobicContact CB-CB 4.18Å; V546-V559 HydrophobicContact CG2-CB 4.11Å; V546-V559 HydrophobicContact CG2-CG1 4.19Å; V546-E560 CarbonylContact C-O 3.57Å; V546-E560 WeakPolarHBondContact CA-O 3.5Å; V546-E560 WeakPolarHBondContact CB-O 3.5Å; V546-F575 HydrophobicContact CG1-CE1 4.23Å; V546-F575 HydrophobicContact CG2-CD1 3.69Å; V546-F575 HydrophobicContact CG2-CE1 3.97Å
547	H	91.7	Very high	89.5	Confident	68 Å²	68	48.1 Å²	48.1	32%	0.315	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	124.1	160.4	-174.7	84.8	0	0	0	108.8	H549 V559 E560 L562	H547-H549 AromaticContact CD2-CD2 3.72Å; H547-H549 AromaticContact CD2-CE1 3.57Å; H547-H549 AromaticContact CD2-CG 3.93Å; H547-H549 AromaticContact CD2-ND1 3.89Å; H547-H549 AromaticContact CD2-NE2 3.49Å; H547-H549 PolarHBondContact CD2-NE2 3.5Å; H547-V559 CarbonylContact O-C 3.59Å; H547-V559 WeakPolarHBondContact O-CA 3.34Å; H547-E560 HydrophobicContact CB-CB 4.25Å; H547-E560 PolarHBondContact N-O 2.56Å; H547-E560 PolarHBondContact O-N 3.25Å; H547-L562 HydrophobicContact CB-CD2 3.93Å
548	F	89.6	Confident	89.5	Confident	19 Å²	19	45.8 Å²	45.8	8%	0.083	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	99.4	-177.3	-164.4	-81.3	0	0	0	109.4	I518 Y529 G550 N551 A557 V559 F575	I518-F548 HydrophobicContact CD1-CD1 3.74Å; I518-F548 HydrophobicContact CD1-CE1 4.32Å; I518-F548 HydrophobicContact CG2-CD1 4.46Å; I518-F548 HydrophobicContact CG2-CE1 3.96Å; Y529-F548 HydrophobicContact CD1-CB 3.95Å; Y529-F548 AromaticContact CD1-CD2 3.51Å; Y529-F548 HydrophobicContact CD1-CD2 3.51Å; Y529-F548 HydrophobicContact CD1-CE2 4.14Å; Y529-F548 AromaticContact CD1-CG 3.83Å; Y529-F548 HydrophobicContact CD1-CG 3.83Å; Y529-F548 HydrophobicContact CD2-CB 3.46Å; Y529-F548 VanDerWaalsContact CD2-CB 3.46Å; Y529-F548 HydrophobicContact CD2-CG 4.2Å; Y529-F548 HydrophobicContact CE1-CB 4.2Å; Y529-F548 HydrophobicContact CE1-CD1 4.32Å; Y529-F548 AromaticContact CE1-CD2 3.83Å; Y529-F548 HydrophobicContact CE1-CD2 3.83Å; Y529-F548 HydrophobicContact CE1-CE2 4.22Å; Y529-F548 AromaticContact CE1-CG 3.87Å; Y529-F548 HydrophobicContact CE1-CG 3.87Å; Y529-F548 HydrophobicContact CE2-CB 3.75Å; Y529-F548 HydrophobicContact CE2-CG 4.25Å; Y529-F548 HydrophobicContact CG-CB 3.58Å; Y529-F548 AromaticContact CG-CD2 3.94Å; Y529-F548 HydrophobicContact CG-CD2 3.94Å; Y529-F548 AromaticContact CG-CG 4Å; Y529-F548 HydrophobicContact CG-CG 4Å; F548-G550 VanDerWaalsContact C-N 3.3Å; F548-G550 PolarHBondContact O-N 3.01Å; F548-N551 HydrophobicContact CE1-CB 4.13Å; F548-N551 HydrophobicContact CZ-CB 4.22Å; F548-A557 HydrophobicContact CD2-CB 4.41Å; F548-A557 HydrophobicContact CE1-CB 4.11Å; F548-A557 HydrophobicContact CE2-CB 3.49Å; F548-A557 VanDerWaalsContact CE2-CB 3.49Å; F548-A557 HydrophobicContact CZ-CB 3.31Å; F548-V559 HydrophobicContact CD2-CG1 3.72Å; F548-V559 HydrophobicContact CE2-CG1 4.16Å; F548-V559 HydrophobicContact CG-CG1 4.38Å; F548-F575 HydrophobicContact CD2-CB 4.15Å; F548-F575 HydrophobicContact CD2-CD2 4.45Å; F548-F575 HydrophobicContact CD2-CG 4.35Å; F548-F575 HydrophobicContact CE2-CB 4.05Å; F548-F575 HydrophobicContact CE2-CD2 4.03Å; F548-F575 HydrophobicContact CE2-CG 4.27Å
549	H	85.2	Confident	89.6	Confident	70 Å²	70	44.8 Å²	44.8	32%	0.324	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	-26.6	-176	-74.6	-88.7	0	0	0	112.6	H547 R558 E560	H547-H549 AromaticContact CD2-CD2 3.72Å; H547-H549 AromaticContact CD2-CE1 3.57Å; H547-H549 AromaticContact CD2-CG 3.93Å; H547-H549 AromaticContact CD2-ND1 3.89Å; H547-H549 AromaticContact CD2-NE2 3.49Å; H547-H549 PolarHBondContact CD2-NE2 3.5Å; H549-R558 HydrophobicContact CB-CB 4.03Å; H549-R558 HydrophobicContact CB-CG 3.93Å; H549-R558 WeakPolarHBondContact CB-O 3.37Å; H549-R558 PolarHBondContact N-O 3.01Å; H549-E560 IonicContact CD2-OE2 3.66Å; H549-E560 IonicContact CE1-OE2 3.84Å; H549-E560 PolarHBondContact CE1-OE2 3.03Å; H549-E560 WeakPolarHBondContact NE2-CB 3.16Å; H549-E560 IonicContact NE2-OE2 2.88Å; H549-E560 PolarHBondContact NE2-OE2 3.2Å
550	G	80.3	Confident	89.6	Confident	9 Å²	9	41.7 Å²	41.7	9%	0.093	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.5	155.9	177.2	0	0	0	0	0	113.2	F548 A557 R558	F548-G550 VanDerWaalsContact C-N 3.3Å; F548-G550 PolarHBondContact O-N 3.01Å; G550-A557 VanDerWaalsContact O-CA 3.29Å; G550-A557 WeakPolarHBondContact O-CA 3.23Å; G550-A557 WeakPolarHBondContact O-CB 3.23Å; G550-R558 PolarHBondContact O-N 3.02Å
551	N	81.1	Confident	89.5	Confident	12 Å²	12	42.4 Å²	42.4	6%	0.064	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	122.9	169.4	-170.2	-25.3	0	0	0	106.8	E109 I518 F548 W553 Y556	E109-N551 PolarHBondContact OE1-ND2 3.47Å; E109-N551 VanDerWaalsContact OE1-ND2 3.15Å; I518-N551 HydrophobicContact CG2-CB 4.11Å; F548-N551 HydrophobicContact CE1-CB 4.13Å; F548-N551 HydrophobicContact CZ-CB 4.22Å; N551-W553 HydrophobicContact CB-CD2 3.98Å; N551-W553 HydrophobicContact CB-CE3 3.99Å; N551-W553 HydrophobicContact CB-CH2 4.4Å; N551-W553 HydrophobicContact CB-CZ2 4.32Å; N551-W553 HydrophobicContact CB-CZ3 4.23Å; N551-W553 VanDerWaalsContact CG-CE3 3.45Å; N551-W553 VanDerWaalsContact O-CD1 3.22Å; N551-W553 PolarHBondContact O-N 3.35Å; N551-W553 PolarHBondContact O-NE1 3.25Å; N551-W553 WeakPolarHBondContact OD1-CA 3.42Å; N551-W553 PolarHBondContact OD1-N 2.61Å; N551-Y556 PolarHBondContact OD1-O 3.05Å
552	H	76.9	Confident	89.2	Confident	76 Å²	76	42.8 Å²	42.8	35%	0.352	22%	0.216	S	C	.	.			trans	-82.7	2.9	179.1	-70.6	-151.7	0	0	0	111.8	N554 Y556	H552-N554 WeakPolarHBondContact CB-OD1 3.25Å; H552-N554 PolarHBondContact O-N 2.9Å; H552-Y556 WeakPolarHBondContact CB-O 3.43Å; H552-Y556 PolarHBondContact N-O 2.85Å
553	W	78.2	Confident	88.8	Confident	44 Å²	44	44.3 Å²	44.3	17%	0.167	22%	0.22	C	C	.	.	S	Bend	trans	57	26.1	175.7	-48.2	114.2	0	0	0	114.4	Y112 R513 D516 N551	Y112-W553 HydrophobicContact CD2-CE3 4.33Å; Y112-W553 AromaticContact CE2-CE3 3.96Å; Y112-W553 HydrophobicContact CE2-CE3 3.96Å; Y112-W553 HydrophobicContact CE2-CZ3 4.12Å; R513-W553 VanDerWaalsContact NH1-CG 3.25Å; R513-W553 VanDerWaalsContact NH1-CZ3 3.29Å; D516-W553 PolarHBondContact O-NE1 3.09Å; D516-W553 VanDerWaalsContact O-NE1 3.14Å; N551-W553 HydrophobicContact CB-CD2 3.98Å; N551-W553 HydrophobicContact CB-CE3 3.99Å; N551-W553 HydrophobicContact CB-CH2 4.4Å; N551-W553 HydrophobicContact CB-CZ2 4.32Å; N551-W553 HydrophobicContact CB-CZ3 4.23Å; N551-W553 VanDerWaalsContact CG-CE3 3.45Å; N551-W553 VanDerWaalsContact O-CD1 3.22Å; N551-W553 PolarHBondContact O-N 3.35Å; N551-W553 PolarHBondContact O-NE1 3.25Å; N551-W553 WeakPolarHBondContact OD1-CA 3.42Å; N551-W553 PolarHBondContact OD1-N 2.61Å
554	N	83.7	Confident	88.5	Confident	59 Å²	59	46.3 Å²	46.3	32%	0.316	22%	0.224	S	C	.	.	S	Bend	trans	-122.7	21.1	177.9	64.8	2.2	0	0	0	111.6	Y112 Q116 H552 Y556	Y112-N554 CarbonylContact O-C 3.57Å; Y112-N554 VanDerWaalsContact O-C 3.25Å; Q116-N554 PolarHBondContact NE2-O 2.89Å; H552-N554 WeakPolarHBondContact CB-OD1 3.25Å; H552-N554 PolarHBondContact O-N 2.9Å; N554-Y556 VanDerWaalsContact C-N 3.31Å; N554-Y556 PolarHBondContact OD1-N 2.83Å; N554-Y556 PolarHBondContact OD1-O 3.09Å
555	G	86.3	Confident	88.1	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.01	24%	0.243	C	C	.	.	S	Bend	trans	85.9	-7.6	-174.1	0	0	0	0	0	114.6	P571 A572	G555-P571 CarbonylContact O-C 3.57Å; G555-P571 VanDerWaalsContact O-CA 3.29Å; G555-P571 WeakPolarHBondContact O-CA 3.47Å; G555-A572 PolarHBondContact O-N 3.28Å
556	Y	91	Very high	87.8	Confident	88 Å²	88	53.1 Å²	53.1	35%	0.345	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148.1	178	-68.9	-92.2	0	0	0	112.5	N551 H552 N554 A570 P571	N551-Y556 PolarHBondContact OD1-O 3.05Å; H552-Y556 WeakPolarHBondContact CB-O 3.43Å; H552-Y556 PolarHBondContact N-O 2.85Å; N554-Y556 VanDerWaalsContact C-N 3.31Å; N554-Y556 PolarHBondContact OD1-N 2.83Å; N554-Y556 PolarHBondContact OD1-O 3.09Å; Y556-A570 WeakPolarHBondContact CA-O 3.19Å; Y556-P571 HydrophobicContact CD1-CG 4.31Å; Y556-P571 HydrophobicContact CE1-CG 3.93Å
557	A	91.8	Very high	87.8	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	150.5	169.5	0	0	0	0	0	110	F548 G550 V559 M569 A570 A572	F548-A557 HydrophobicContact CD2-CB 4.41Å; F548-A557 HydrophobicContact CE1-CB 4.11Å; F548-A557 HydrophobicContact CE2-CB 3.49Å; F548-A557 VanDerWaalsContact CE2-CB 3.49Å; F548-A557 HydrophobicContact CZ-CB 3.31Å; G550-A557 VanDerWaalsContact O-CA 3.29Å; G550-A557 WeakPolarHBondContact O-CA 3.23Å; G550-A557 WeakPolarHBondContact O-CB 3.23Å; A557-V559 HydrophobicContact CB-CG1 4.29Å; A557-M569 WeakPolarHBondContact O-CA 3.4Å; A557-A570 PolarHBondContact N-O 2.96Å; A557-A570 PolarHBondContact O-N 2.87Å; A557-A572 HydrophobicContact CB-CB 3.82Å
558	R	93	Very high	87.9	Confident	118 Å²	118	56.7 Å²	56.7	45%	0.445	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	123.3	166.6	-176.2	174	-71.8	157.5	-3.4	108.4	H549 G550 M569	H549-R558 HydrophobicContact CB-CB 4.03Å; H549-R558 HydrophobicContact CB-CG 3.93Å; H549-R558 WeakPolarHBondContact CB-O 3.37Å; H549-R558 PolarHBondContact N-O 3.01Å; G550-R558 PolarHBondContact O-N 3.02Å; R558-M569 HydrophobicContact CB-CE 4.43Å; R558-M569 HydrophobicContact CB-SD 3.68Å; R558-M569 HydrophobicContact CG-SD 4.09Å
559	V	93.5	Very high	88	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	153.4	-179.7	-59.8	0	0	0	0	111	L540 V546 H547 F548 A557 K567 V568 A570 F575	L540-V559 HydrophobicContact CD1-CG2 4.16Å; V546-V559 HydrophobicContact CB-CB 4.18Å; V546-V559 HydrophobicContact CG2-CB 4.11Å; V546-V559 HydrophobicContact CG2-CG1 4.19Å; H547-V559 CarbonylContact O-C 3.59Å; H547-V559 WeakPolarHBondContact O-CA 3.34Å; F548-V559 HydrophobicContact CD2-CG1 3.72Å; F548-V559 HydrophobicContact CE2-CG1 4.16Å; F548-V559 HydrophobicContact CG-CG1 4.38Å; A557-V559 HydrophobicContact CB-CG1 4.29Å; V559-K567 CarbonylContact O-C 3.57Å; V559-K567 WeakPolarHBondContact O-CA 3.3Å; V559-V568 HydrophobicContact CG2-CG2 3.6Å; V559-V568 PolarHBondContact N-O 2.87Å; V559-V568 PolarHBondContact O-N 3.07Å; V559-A570 HydrophobicContact CG2-CB 4.32Å; V559-F575 HydrophobicContact CB-CZ 4.3Å; V559-F575 HydrophobicContact CG1-CD1 4.41Å; V559-F575 HydrophobicContact CG1-CD2 4.03Å; V559-F575 HydrophobicContact CG1-CE1 4.18Å; V559-F575 HydrophobicContact CG1-CE2 3.79Å; V559-F575 HydrophobicContact CG1-CG 4.34Å; V559-F575 HydrophobicContact CG1-CZ 3.87Å; V559-F575 HydrophobicContact CG2-CE1 4.11Å; V559-F575 HydrophobicContact CG2-CE2 4.25Å; V559-F575 HydrophobicContact CG2-CZ 3.65Å
560	E	94.1	Very high	88.4	Confident	33 Å²	33	55.7 Å²	55.7	15%	0.154	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	119.4	177	177.2	173.9	-170	0	0	110.1	V546 H547 H549 L562 R566 K567	V546-E560 CarbonylContact C-O 3.57Å; V546-E560 WeakPolarHBondContact CA-O 3.5Å; V546-E560 WeakPolarHBondContact CB-O 3.5Å; H547-E560 HydrophobicContact CB-CB 4.25Å; H547-E560 PolarHBondContact N-O 2.56Å; H547-E560 PolarHBondContact O-N 3.25Å; H549-E560 IonicContact CD2-OE2 3.66Å; H549-E560 IonicContact CE1-OE2 3.84Å; H549-E560 PolarHBondContact CE1-OE2 3.03Å; H549-E560 WeakPolarHBondContact NE2-CB 3.16Å; H549-E560 IonicContact NE2-OE2 2.88Å; H549-E560 PolarHBondContact NE2-OE2 3.2Å; E560-L562 PolarHBondContact O-N 3.1Å; E560-R566 WeakPolarHBondContact CA-O 3.3Å; E560-K567 HydrophobicContact CB-CG 4.03Å; E560-K567 HydrophobicContact CG-CG 4Å; E560-K567 WeakPolarHBondContact OE2-CE 3.37Å; E560-K567 IonicContact OE2-NZ 2.81Å
561	K	92.5	Very high	89.1	Confident	17 Å²	17	56.3 Å²	56.3	7%	0.074	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	120.1	-178.4	-164.8	-174.8	-176.1	163.9	0	110	D539 L540 D544 N563 T564 N565 R566	D539-K561 PolarHBondContact O-NZ 3.42Å; D539-K561 IonicContact OD2-NZ 3.74Å; L540-K561 HydrophobicContact CD2-CB 4.16Å; L540-K561 HydrophobicContact CD2-CD 3.91Å; L540-K561 HydrophobicContact CD2-CG 3.94Å; D544-K561 VanDerWaalsContact CG-CE 3.41Å; D544-K561 IonicContact OD1-NZ 2.77Å; D544-K561 WeakPolarHBondContact OD2-CE 3.45Å; D544-K561 IonicContact OD2-NZ 3.18Å; D544-K561 PolarHBondContact OD2-NZ 2.86Å; K561-N563 VanDerWaalsContact C-N 3.27Å; K561-N563 WeakPolarHBondContact CD-OD1 3.4Å; K561-N563 VanDerWaalsContact CE-OD1 3.29Å; K561-N563 WeakPolarHBondContact CE-OD1 3.28Å; K561-N563 WeakPolarHBondContact CG-OD1 3.46Å; K561-N563 PolarHBondContact O-N 3.45Å; K561-N563 VanDerWaalsContact O-N 3.16Å; K561-T564 PolarHBondContact O-N 3.2Å; K561-N565 WeakPolarHBondContact O-CA 3.4Å; K561-N565 PolarHBondContact O-N 3.24Å; K561-R566 PolarHBondContact N-O 3.26Å; K561-R566 VanDerWaalsContact N-O 3.08Å
562	L	90	Very high	89.7	Confident	69 Å²	69	56 Å²	56	36%	0.361	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.5	-167.6	-67.9	-174.7	0	0	0	114.7	P528 L545 H547 E560	P528-L562 HydrophobicContact CB-CD1 4.06Å; L545-L562 HydrophobicContact CB-CD1 3.75Å; L545-L562 HydrophobicContact CB-CG 4.31Å; L545-L562 PolarHBondContact O-N 3.08Å; H547-L562 HydrophobicContact CB-CD2 3.93Å; E560-L562 PolarHBondContact O-N 3.1Å
563	N	87.1	Confident	90.4	Very high	116 Å²	116	55.6 Å²	55.6	62%	0.62	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-20.2	-179.3	64.8	-5.3	0	0	0	114	K561	K561-N563 VanDerWaalsContact C-N 3.27Å; K561-N563 WeakPolarHBondContact CD-OD1 3.4Å; K561-N563 VanDerWaalsContact CE-OD1 3.29Å; K561-N563 WeakPolarHBondContact CE-OD1 3.28Å; K561-N563 WeakPolarHBondContact CG-OD1 3.46Å; K561-N563 PolarHBondContact O-N 3.45Å; K561-N563 VanDerWaalsContact O-N 3.16Å
564	T	88.4	Confident	91.2	Very high	79 Å²	79	54.6 Å²	54.6	49%	0.485	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-10.5	-175.5	52.3	0	0	0	0	112.7	K561 R566	K561-T564 PolarHBondContact O-N 3.2Å; T564-R566 PolarHBondContact O-N 2.68Å
565	N	85.8	Confident	91.7	Very high	108 Å²	108	52.7 Å²	52.7	58%	0.578	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	21.8	-170.9	-59	-40.3	0	0	0	113.4	K561 K567	K561-N565 WeakPolarHBondContact O-CA 3.4Å; K561-N565 PolarHBondContact O-N 3.24Å; N565-K567 PolarHBondContact O-N 2.88Å
566	R	90.3	Very high	92	Very high	129 Å²	129	54.6 Å²	54.6	49%	0.487	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	119.5	179.1	-173	-176.3	173.2	-167.4	-4	109.1	E560 K561 T564 V568	E560-R566 WeakPolarHBondContact CA-O 3.3Å; K561-R566 PolarHBondContact N-O 3.26Å; K561-R566 VanDerWaalsContact N-O 3.08Å; T564-R566 PolarHBondContact O-N 2.68Å; R566-V568 HydrophobicContact CG-CG1 4.04Å
567	K	93.8	Very high	92	Very high	129 Å²	129	53.7 Å²	53.7	56%	0.561	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	127.7	174.7	-56.3	-172	179.7	-174.4	0	110.2	V559 E560 N565	V559-K567 CarbonylContact O-C 3.57Å; V559-K567 WeakPolarHBondContact O-CA 3.3Å; E560-K567 HydrophobicContact CB-CG 4.03Å; E560-K567 HydrophobicContact CG-CG 4Å; E560-K567 WeakPolarHBondContact OE2-CE 3.37Å; E560-K567 IonicContact OE2-NZ 2.81Å; N565-K567 PolarHBondContact O-N 2.88Å
568	V	93.5	Very high	91.9	Very high	15 Å²	15	59.6 Å²	59.6	9%	0.091	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	156.8	-178.5	-63.7	0	0	0	0	111.1	N538 L540 V559 R566	N538-V568 HydrophobicContact CB-CB 4.2Å; N538-V568 HydrophobicContact CB-CG1 4.28Å; N538-V568 HydrophobicContact CB-CG2 4.04Å; N538-V568 WeakPolarHBondContact OD1-CB 3.35Å; L540-V568 HydrophobicContact CD1-CG2 4.1Å; V559-V568 HydrophobicContact CG2-CG2 3.6Å; V559-V568 PolarHBondContact N-O 2.87Å; V559-V568 PolarHBondContact O-N 3.07Å; R566-V568 HydrophobicContact CG-CG1 4.04Å
569	M	92.7	Very high	91.9	Very high	68 Å²	68	57 Å²	57	34%	0.335	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	121.4	166.1	-65.7	-58.8	-55.6	0	0	107.8	N538 A557 R558	N538-M569 PolarHBondContact ND2-O 3.18Å; A557-M569 WeakPolarHBondContact O-CA 3.4Å; R558-M569 HydrophobicContact CB-CE 4.43Å; R558-M569 HydrophobicContact CB-SD 3.68Å; R558-M569 HydrophobicContact CG-SD 4.09Å
570	A	93.7	Very high	91.9	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	153.7	-178.4	0	0	0	0	0	110.1	D535 L540 Y556 A557 V559 A572 F575	D535-A570 VanDerWaalsContact OD2-CB 3.31Å; D535-A570 WeakPolarHBondContact OD2-CB 3.29Å; L540-A570 HydrophobicContact CD1-CB 4.23Å; Y556-A570 WeakPolarHBondContact CA-O 3.19Å; A557-A570 PolarHBondContact N-O 2.96Å; A557-A570 PolarHBondContact O-N 2.87Å; V559-A570 HydrophobicContact CG2-CB 4.32Å; A570-A572 PolarHBondContact O-N 3.24Å; A570-F575 HydrophobicContact CB-CE2 3.76Å; A570-F575 HydrophobicContact CB-CZ 3.68Å
571	P	93.9	Very high	92	Very high	22 Å²	22	60.2 Å²	60.2	14%	0.143	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	127.7	179.9	-26.4	35.5	0	0	0	112.1	G555 Y556 F573 K574 F575	G555-P571 CarbonylContact O-C 3.57Å; G555-P571 VanDerWaalsContact O-CA 3.29Å; G555-P571 WeakPolarHBondContact O-CA 3.47Å; Y556-P571 HydrophobicContact CD1-CG 4.31Å; Y556-P571 HydrophobicContact CE1-CG 3.93Å; P571-F573 VanDerWaalsContact C-N 3.29Å; P571-F573 HydrophobicContact CB-CD1 3.8Å; P571-F573 HydrophobicContact CB-CE1 3.44Å; P571-F573 VanDerWaalsContact CB-CE1 3.44Å; P571-F573 HydrophobicContact CB-CZ 4.25Å; P571-F573 HydrophobicContact CG-CE1 4.45Å; P571-F573 PolarHBondContact O-N 2.75Å; P571-K574 HydrophobicContact CB-CD 4.27Å; P571-K574 HydrophobicContact CB-CG 4.22Å; P571-K574 HydrophobicContact CG-CD 4.34Å; P571-K574 WeakPolarHBondContact O-CB 3.5Å; P571-K574 PolarHBondContact O-N 3.45Å; P571-K574 VanDerWaalsContact O-N 3.17Å; P571-F575 WeakPolarHBondContact O-CE2 3.4Å
572	A	92.9	Very high	92.1	Very high	5 Å²	5	59.4 Å²	59.4	4%	0.041	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-61.9	-35.9	-167.4	0	0	0	0	0	113	G555 A557 A570 K574 F575	G555-A572 PolarHBondContact O-N 3.28Å; A557-A572 HydrophobicContact CB-CB 3.82Å; A570-A572 PolarHBondContact O-N 3.24Å; A572-K574 PolarHBondContact O-N 3.09Å; A572-F575 PolarHBondContact O-N 3.18Å
573	F	92.4	Very high	92.2	Very high	67 Å²	67	60.5 Å²	60.5	29%	0.294	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-63.6	-12	-178.9	74.7	-93.2	0	0	0	114.5	Y106 E109 I533 P571 F575	Y106-F573 HydrophobicContact CD1-CB 3.97Å; Y106-F573 HydrophobicContact CE1-CB 4.08Å; Y106-F573 HydrophobicContact CE1-CD2 4.29Å; Y106-F573 WeakPolarHBondContact CE1-O 3.33Å; E109-F573 HydrophobicContact CB-CB 3.96Å; E109-F573 HydrophobicContact CG-CB 3.87Å; I533-F573 HydrophobicContact CD1-CD2 3.96Å; I533-F573 HydrophobicContact CD1-CE2 3.89Å; P571-F573 VanDerWaalsContact C-N 3.29Å; P571-F573 HydrophobicContact CB-CD1 3.8Å; P571-F573 HydrophobicContact CB-CE1 3.44Å; P571-F573 VanDerWaalsContact CB-CE1 3.44Å; P571-F573 HydrophobicContact CB-CZ 4.25Å; P571-F573 HydrophobicContact CG-CE1 4.45Å; P571-F573 PolarHBondContact O-N 2.75Å; F573-F575 VanDerWaalsContact C-N 3.26Å; F573-F575 PolarHBondContact O-N 2.91Å
574	K	95.5	Very high	92.5	Very high	24 Å²	24	55.2 Å²	55.2	10%	0.104	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-78.5	-8.2	-178.9	-63.1	-171.7	179.4	-168.3	0	113.8	I532 I533 S534 D535 P571 A572	I532-K574 WeakPolarHBondContact CG1-O 3.32Å; I532-K574 PolarHBondContact N-O 3.07Å; I533-K574 HydrophobicContact CB-CB 4.19Å; I533-K574 HydrophobicContact CB-CG 4.07Å; I533-K574 HydrophobicContact CG2-CD 4.42Å; I533-K574 HydrophobicContact CG2-CG 4.22Å; I533-K574 PolarHBondContact N-O 3.12Å; S534-K574 PolarHBondContact O-NZ 3.33Å; S534-K574 VanDerWaalsContact O-NZ 3.14Å; D535-K574 HydrophobicContact CB-CD 3.88Å; D535-K574 IonicContact OD1-NZ 3.21Å; D535-K574 PolarHBondContact OD1-NZ 3.12Å; P571-K574 HydrophobicContact CB-CD 4.27Å; P571-K574 HydrophobicContact CB-CG 4.22Å; P571-K574 HydrophobicContact CG-CD 4.34Å; P571-K574 WeakPolarHBondContact O-CB 3.5Å; P571-K574 PolarHBondContact O-N 3.45Å; P571-K574 VanDerWaalsContact O-N 3.17Å; A572-K574 PolarHBondContact O-N 3.09Å
575	F	94.8	Very high	92.7	Very high	18 Å²	18	54.5 Å²	54.5	8%	0.079	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	149.8	-173.9	-52.9	-78.3	0	0	0	111.8	Y529 E530 T531 L540 V546 F548 V559 A570 P571 A572 F573	Y529-F575 HydrophobicContact CD1-CB 4.12Å; E530-F575 WeakPolarHBondContact O-CA 3.46Å; T531-F575 HydrophobicContact CG2-CE1 4.47Å; T531-F575 WeakPolarHBondContact OG1-CE1 3.1Å; L540-F575 HydrophobicContact CD1-CE1 3.95Å; L540-F575 HydrophobicContact CD1-CZ 3.74Å; V546-F575 HydrophobicContact CG1-CE1 4.23Å; V546-F575 HydrophobicContact CG2-CD1 3.69Å; V546-F575 HydrophobicContact CG2-CE1 3.97Å; F548-F575 HydrophobicContact CD2-CB 4.15Å; F548-F575 HydrophobicContact CD2-CD2 4.45Å; F548-F575 HydrophobicContact CD2-CG 4.35Å; F548-F575 HydrophobicContact CE2-CB 4.05Å; F548-F575 HydrophobicContact CE2-CD2 4.03Å; F548-F575 HydrophobicContact CE2-CG 4.27Å; V559-F575 HydrophobicContact CB-CZ 4.3Å; V559-F575 HydrophobicContact CG1-CD1 4.41Å; V559-F575 HydrophobicContact CG1-CD2 4.03Å; V559-F575 HydrophobicContact CG1-CE1 4.18Å; V559-F575 HydrophobicContact CG1-CE2 3.79Å; V559-F575 HydrophobicContact CG1-CG 4.34Å; V559-F575 HydrophobicContact CG1-CZ 3.87Å; V559-F575 HydrophobicContact CG2-CE1 4.11Å; V559-F575 HydrophobicContact CG2-CE2 4.25Å; V559-F575 HydrophobicContact CG2-CZ 3.65Å; A570-F575 HydrophobicContact CB-CE2 3.76Å; A570-F575 HydrophobicContact CB-CZ 3.68Å; P571-F575 WeakPolarHBondContact O-CE2 3.4Å; A572-F575 PolarHBondContact O-N 3.18Å; F573-F575 VanDerWaalsContact C-N 3.26Å; F573-F575 PolarHBondContact O-N 2.91Å
576	S	92.6	Very high	93.1	Very high	42 Å²	42	49.4 Å²	49.4	29%	0.294	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	137.5	173.2	-175	0	0	0	0	109.8	Y529 E530	Y529-S576 CarbonylContact C-O 3.59Å; Y529-S576 WeakPolarHBondContact CA-O 3.27Å; E530-S576 PolarHBondContact N-O 2.05Å; E530-S576 PolarHBondContact O-N 2.58Å
577	S	90.9	Very high	93.2	Very high	69 Å²	69	45.1 Å²	45.1	48%	0.483	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	137.6	172.5	57	0	0	0	0	110.5
578	R	89.7	Confident	93	Very high	123 Å²	123	43.6 Å²	43.6	46%	0.464	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-87.1	136.7	167.9	-63.3	-165.4	76.5	-164.1	-0.1	110.3	P528 E530 L580	P528-R578 WeakPolarHBondContact O-CB 3.19Å; P528-R578 PolarHBondContact O-N 3.34Å; E530-R578 HydrophobicContact CB-CG 3.9Å; E530-R578 IonicContact OE2-NE 3.32Å; R578-L580 PolarHBondContact O-N 3.32Å
579	L	91.6	Very high	92.5	Very high	65 Å²	65	44 Å²	44	34%	0.34	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-70.5	123.6	172.2	-179.5	65.3	0	0	0	109.3	V304 T313 P319	V304-L579 HydrophobicContact CB-CD1 4.25Å; V304-L579 HydrophobicContact CG2-CD1 3.81Å; T313-L579 VanDerWaalsContact OG1-CD2 3.23Å; T313-L579 WeakPolarHBondContact OG1-CD2 3.4Å; P319-L579 HydrophobicContact CB-CD1 3.73Å; P319-L579 HydrophobicContact CG-CD1 4.08Å
580	L	94.7	Very high	91.5	Very high	37 Å²	37	47.2 Å²	47.2	19%	0.194	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-88.7	130.5	165.4	-63.7	-177.6	0	0	0	108.9	P302 A303 V304 Q525 R578	P302-L580 HydrophobicContact CG-CD1 4.25Å; A303-L580 WeakPolarHBondContact CA-O 3.07Å; A303-L580 HydrophobicContact CB-CB 4.35Å; V304-L580 PolarHBondContact N-O 2.9Å; Q525-L580 HydrophobicContact CG-CD1 4.04Å; R578-L580 PolarHBondContact O-N 3.32Å
581	S	95	Very high	90.3	Very high	62 Å²	62	51.1 Å²	51.1	43%	0.434	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	139.1	175.8	66.6	0	0	0	0	110.8	V304	V304-S581 CarbonylContact O-C 3.58Å; V304-S581 WeakPolarHBondContact O-CA 3.35Å
582	A	93.8	Very high	88.9	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.008	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	148.6	179.5	0	0	0	0	0	110.8	D298 W299 A303 V304 S306 M584	D298-A582 HydrophobicContact CB-CB 4.1Å; D298-A582 WeakPolarHBondContact O-CB 3.27Å; W299-A582 HydrophobicContact CB-CB 3.92Å; A303-A582 HydrophobicContact CB-CB 4.26Å; V304-A582 PolarHBondContact O-N 3.3Å; S306-A582 PolarHBondContact N-O 3.16Å; A582-M584 PolarHBondContact O-N 2.74Å
583	P	92.8	Very high	87.4	Confident	92 Å²	92	59 Å²	59	60%	0.597	33%	0.326	S	S	*	.			trans	-58	129.3	166.8	-19.6	32.3	0	0	0	110.1
584	M	93.9	Very high	85.9	Confident	4 Å²	4	58.7 Å²	58.7	2%	0.02	33%	0.325	C	S	.	.			trans	-132.8	126.9	175.4	-65	-172.5	-165	0	0	107.8	Q226 Y229 A230 W299 A303 P305 F323 A582	Q226-M584 HydrophobicContact CG-CE 4.48Å; Y229-M584 HydrophobicContact CD1-CB 3.8Å; Y229-M584 HydrophobicContact CD1-CG 4.43Å; Y229-M584 HydrophobicContact CD1-SD 3.84Å; Y229-M584 HydrophobicContact CE1-CB 3.86Å; Y229-M584 HydrophobicContact CE1-SD 4.29Å; A230-M584 HydrophobicContact CB-CB 4.42Å; A230-M584 HydrophobicContact CB-CG 4Å; A230-M584 HydrophobicContact CB-SD 4.47Å; W299-M584 HydrophobicContact CB-CE 3.94Å; W299-M584 HydrophobicContact CB-CG 4.25Å; A303-M584 HydrophobicContact CB-CE 4.31Å; P305-M584 HydrophobicContact CB-CB 4.28Å; P305-M584 HydrophobicContact CB-CG 4.42Å; P305-M584 HydrophobicContact CB-SD 4.13Å; P305-M584 HydrophobicContact CG-CE 4.38Å; P305-M584 HydrophobicContact CG-CG 4.5Å; P305-M584 HydrophobicContact CG-SD 3.6Å; F323-M584 HydrophobicContact CE1-CE 4.3Å; F323-M584 HydrophobicContact CE1-SD 4.18Å; F323-M584 HydrophobicContact CZ-SD 4Å; A582-M584 PolarHBondContact O-N 2.74Å
585	I	93	Very high	83.9	Confident	64 Å²	64	63 Å²	63	33%	0.328	35%	0.354	S	S	.	.			trans	-67.1	-40.6	-169.2	-64.6	175.1	0	0	0	111.6	Y229 A230 G589	Y229-I585 PolarHBondContact O-N 3.05Å; A230-I585 WeakPolarHBondContact O-CG1 3.14Å; A230-I585 PolarHBondContact O-N 2.79Å; A230-I585 VanDerWaalsContact O-N 3.12Å; I585-G589 CarbonylContact O-C 3.55Å; I585-G589 VanDerWaalsContact O-C 3.24Å; I585-G589 VanDerWaalsContact O-CA 3.32Å; I585-G589 WeakPolarHBondContact O-CA 3.18Å; I585-G589 PolarHBondContact O-N 3.25Å; I585-G589 VanDerWaalsContact O-N 3.09Å
586	G	93.1	Very high	81.9	Confident	2 Å²	2	64.1 Å²	64.1	2%	0.021	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	-156.1	-177.1	0	0	0	0	0	113.2	E188 Y229 G232	E188-G586 VanDerWaalsContact OE1-CA 3.25Å; E188-G586 WeakPolarHBondContact OE1-CA 3.29Å; Y229-G586 PolarHBondContact O-N 3.12Å; G232-G586 WeakPolarHBondContact CA-O 3.29Å
587	A	93	Very high	79.7	Confident	38 Å²	38	67.9 Å²	67.9	31%	0.314	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-23.9	179.6	0	0	0	0	0	112.9	E188 Q191 L192	E188-A587 HydrophobicContact CG-CB 3.6Å; E188-A587 PolarHBondContact OE1-N 3.2Å; Q191-A587 HydrophobicContact CB-CB 3.81Å; L192-A587 HydrophobicContact CB-CB 4.03Å
588	H	88.5	Confident	77.6	Confident	98 Å²	98	70.4 Å²	70.4	45%	0.454	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	0.9	-170.9	-59.8	-60.6	0	0	0	114.2	E188 Q191 R591	E188-H588 IonicContact OE1-CD2 3.67Å; Q191-H588 PolarHBondContact OE1-CE1 3.02Å; H588-R591 HydrophobicContact CB-CG 4.22Å; H588-R591 PolarHBondContact CD2-NH1 3.45Å
589	G	82.9	Confident	75.1	Confident	23 Å²	23	74.3 Å²	74.3	24%	0.237	40%	0.395	C	S	.	.			trans	77.4	-169.5	-172.6	0	0	0	0	0	112.9	I585 R591	I585-G589 CarbonylContact O-C 3.55Å; I585-G589 VanDerWaalsContact O-C 3.24Å; I585-G589 VanDerWaalsContact O-CA 3.32Å; I585-G589 WeakPolarHBondContact O-CA 3.18Å; I585-G589 PolarHBondContact O-N 3.25Å; I585-G589 VanDerWaalsContact O-N 3.09Å; G589-R591 PolarHBondContact O-N 2.88Å
590	N	73.4	Confident	74.2	Confident	136 Å²	136	74.8 Å²	74.8	73%	0.727	40%	0.398	S	S	*	.	S	Bend	trans	-61.8	114	179	-75.6	-16.1	0	0	0	110.7
591	R	66.9	Low	73.1	Confident	81 Å²	81	76.8 Å²	76.8	31%	0.306	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-102.4	149.8	-180	-78.8	179	-73.9	176.2	3.5	112.2	E188 Y229 H307 H588 G589	E188-R591 IonicContact OE1-CZ 3.25Å; E188-R591 IonicContact OE1-NH1 2.97Å; E188-R591 IonicContact OE1-NH2 2.71Å; E188-R591 PolarHBondContact OE1-NH2 3.42Å; E188-R591 IonicContact OE2-CZ 2.6Å; E188-R591 VanDerWaalsContact OE2-CZ 3.25Å; E188-R591 IonicContact OE2-NH1 2.73Å; E188-R591 PolarHBondContact OE2-NH1 2.71Å; E188-R591 IonicContact OE2-NH2 3.3Å; E188-R591 PolarHBondContact OE2-NH2 2.93Å; Y229-R591 PolarHBondContact OH-NH2 3.41Å; Y229-R591 VanDerWaalsContact OH-NH2 3.09Å; H307-R591 PolarHBondContact CE1-NH2 2.97Å; H307-R591 PolarHBondContact NE2-NH2 2.97Å; H588-R591 HydrophobicContact CB-CG 4.22Å; H588-R591 PolarHBondContact CD2-NH1 3.45Å; G589-R591 PolarHBondContact O-N 2.88Å
592	S	65.1	Low	71.9	Confident	107 Å²	107	77.6 Å²	77.6	75%	0.748	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-65.6	160.6	159.5	54.5	0	0	0	0	110.5
593	E	61.3	Low	70.6	Confident	86 Å²	86	82.1 Å²	82.1	40%	0.402	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-54.5	142.8	177	-69	-179.5	161.6	0	0	112.4	K310 T595	K310-E593 WeakPolarHBondContact CD-OE2 3.3Å; K310-E593 WeakPolarHBondContact CE-OE1 3.29Å; K310-E593 WeakPolarHBondContact CE-OE2 3.47Å; K310-E593 IonicContact NZ-OE1 2.62Å; K310-E593 PolarHBondContact NZ-OE1 3.41Å; K310-E593 IonicContact NZ-OE2 3.37Å; K310-E593 PolarHBondContact NZ-OE2 3.44Å; E593-T595 PolarHBondContact O-N 3.31Å
594	F	60.3	Low	69.3	Low	60 Å²	60	81.5 Å²	81.5	26%	0.263	42%	0.42	S	S	.	.			trans	-71.4	110.3	175.4	-155.8	-86.1	0	0	0	109.3	Y180 H307 I311 F596	Y180-F594 HydrophobicContact CE1-CE1 4.19Å; Y180-F594 AromaticContact CE1-CZ 3.95Å; Y180-F594 HydrophobicContact CE1-CZ 3.95Å; H307-F594 WeakPolarHBondContact O-CB 3.42Å; H307-F594 PolarHBondContact O-N 2.87Å; I311-F594 HydrophobicContact CD1-CD1 4.36Å; F594-F596 HydrophobicContact CE1-CE1 4.2Å; F594-F596 HydrophobicContact CE1-CE2 4.16Å; F594-F596 AromaticContact CE1-CZ 3.99Å; F594-F596 HydrophobicContact CE1-CZ 3.99Å
595	T	53.4	Low	67.6	Low	116 Å²	116	86.7 Å²	86.7	71%	0.712	45%	0.447	S	S	*	.			trans	-111.4	119.3	175.6	52.8	0	0	0	0	109.8	E593 D597	E593-T595 PolarHBondContact O-N 3.31Å; T595-D597 PolarHBondContact O-N 3.44Å
596	F	53.9	Low	65.8	Low	40 Å²	40	88.3 Å²	88.3	18%	0.175	46%	0.456	C	S	.	.			trans	-71.5	125.7	161.9	-83.3	-66	0	0	0	109.1	Y177 Y180 I311 F594 Y598	Y177-F596 HydrophobicContact CD1-CD2 4.28Å; Y177-F596 HydrophobicContact CD1-CE1 4.25Å; Y177-F596 AromaticContact CD1-CE2 3.59Å; Y177-F596 HydrophobicContact CD1-CE2 3.59Å; Y177-F596 AromaticContact CD1-CZ 3.6Å; Y177-F596 HydrophobicContact CD1-CZ 3.6Å; Y177-F596 HydrophobicContact CE1-CD1 4.27Å; Y177-F596 HydrophobicContact CE1-CD2 4.17Å; Y177-F596 HydrophobicContact CE1-CE1 4Å; Y177-F596 AromaticContact CE1-CE2 3.86Å; Y177-F596 HydrophobicContact CE1-CE2 3.86Å; Y177-F596 HydrophobicContact CE1-CG 4.37Å; Y177-F596 AromaticContact CE1-CZ 3.79Å; Y177-F596 HydrophobicContact CE1-CZ 3.79Å; Y180-F596 HydrophobicContact CD1-CE1 4.07Å; Y180-F596 AromaticContact CD1-CZ 3.53Å; Y180-F596 HydrophobicContact CD1-CZ 3.53Å; Y180-F596 AromaticContact CE1-CE1 3.7Å; Y180-F596 HydrophobicContact CE1-CE1 3.7Å; Y180-F596 AromaticContact CE1-CZ 3.5Å; Y180-F596 HydrophobicContact CE1-CZ 3.5Å; I311-F596 HydrophobicContact CD1-CD2 3.14Å; I311-F596 HydrophobicContact CD1-CE2 3.07Å; I311-F596 HydrophobicContact CD1-CG 4.44Å; I311-F596 HydrophobicContact CD1-CZ 4.33Å; I311-F596 HydrophobicContact CG1-CE2 4.42Å; F594-F596 HydrophobicContact CE1-CE1 4.2Å; F594-F596 HydrophobicContact CE1-CE2 4.16Å; F594-F596 AromaticContact CE1-CZ 3.99Å; F594-F596 HydrophobicContact CE1-CZ 3.99Å; F596-Y598 HydrophobicContact CB-CD1 3.98Å; F596-Y598 HydrophobicContact CB-CE1 3.6Å; F596-Y598 HydrophobicContact CB-CE2 4.29Å; F596-Y598 HydrophobicContact CB-CG 4.46Å; F596-Y598 HydrophobicContact CG-CE1 4.37Å; F596-Y598 VanDerWaalsContact O-CD2 3.32Å; F596-Y598 WeakPolarHBondContact O-CD2 3.34Å; F596-Y598 WeakPolarHBondContact O-CE2 3.47Å; F596-Y598 PolarHBondContact O-N 3.26Å
597	D	46.1	Very low	63.7	Low	121 Å²	121	94.9 Å²	94.9	65%	0.647	49%	0.489	S	S	*	.			trans	-75.2	99.7	161.7	-162.3	7.3	0	0	0	106.3	T595 K599	T595-D597 PolarHBondContact O-N 3.44Å; D597-K599 PolarHBondContact O-N 3.27Å; D597-K599 WeakPolarHBondContact OD2-CD 3.22Å; D597-K599 VanDerWaalsContact OD2-CE 3.28Å; D597-K599 WeakPolarHBondContact OD2-CE 3.33Å; D597-K599 IonicContact OD2-NZ 3.25Å; D597-K599 PolarHBondContact OD2-NZ 3.26Å
598	Y	47.7	Very low	61.3	Low	123 Å²	123	99.7 Å²	99.7	48%	0.482	50%	0.504	S	S	.	.			trans	-74.1	32.9	-174.8	-61.8	-72.6	0	0	0	113.3	I91 R314 F596	I91-Y598 HydrophobicContact CG2-CD1 4.41Å; R314-Y598 VanDerWaalsContact NH1-CZ 3.32Å; R314-Y598 PolarHBondContact NH1-OH 3.44Å; F596-Y598 HydrophobicContact CB-CD1 3.98Å; F596-Y598 HydrophobicContact CB-CE1 3.6Å; F596-Y598 HydrophobicContact CB-CE2 4.29Å; F596-Y598 HydrophobicContact CB-CG 4.46Å; F596-Y598 HydrophobicContact CG-CE1 4.37Å; F596-Y598 VanDerWaalsContact O-CD2 3.32Å; F596-Y598 WeakPolarHBondContact O-CD2 3.34Å; F596-Y598 WeakPolarHBondContact O-CE2 3.47Å; F596-Y598 PolarHBondContact O-N 3.26Å
599	K	35.7	Very low	58.8	Low	205 Å²	205	99.8 Å²	99.8	89%	0.891	51%	0.508	S	S	*	.			trans	-63.3	0	-174.2	-83.9	-179	-175.9	162.5	0	112.8	R88 D597	R88-K599 PolarHBondContact NH2-OXT 3.07Å; D597-K599 PolarHBondContact O-N 3.27Å; D597-K599 WeakPolarHBondContact OD2-CD 3.22Å; D597-K599 VanDerWaalsContact OD2-CE 3.28Å; D597-K599 WeakPolarHBondContact OD2-CE 3.33Å; D597-K599 IonicContact OD2-NZ 3.25Å; D597-K599 PolarHBondContact OD2-NZ 3.26Å

Retrieved 599 of 599 residues in 454.2 ms (Link to these results)

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