A0A5K4FD24_SCHMA Loading...

Hexosyltransferase

AlphaFold DB , UniProt , Accession A0A5K4FD24, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 507 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	54.4	Low	66	Low	210 Å²	210	112.6 Å²	112.6	100%	1.034	52%	0.517	S	S	*	.				0	-49.1	0	-98	-162.2	177.9	0	0	114.7	L3 L4 Y5	M1-L3 VanDerWaalsContact C-N 3.29Å; M1-L3 PolarHBondContact O-N 3.06Å; M1-L4 PolarHBondContact O-N 3.29Å; M1-Y5 PolarHBondContact O-N 3.01Å
2	R	63.1	Low	66.4	Low	226 Å²	226	109.8 Å²	109.8	85%	0.853	51%	0.509	S	S	*	.	H	α-helix	trans	-52.3	-42.2	-179.5	-82.8	-176.9	176.7	172.7	-0.8	114.1	Y5 Q6	R2-Y5 WeakPolarHBondContact O-CB 3.36Å; R2-Y5 PolarHBondContact O-N 3.4Å; R2-Q6 WeakPolarHBondContact O-CG 3.38Å; R2-Q6 PolarHBondContact O-N 2.94Å
3	L	63.8	Low	66.9	Low	101 Å²	101	109.5 Å²	109.5	53%	0.529	51%	0.512	S	S	.	.	H	α-helix	trans	-67.2	-40.4	-177.4	-148.8	130	0	0	0	113	M1 Y5 Q6 I7	M1-L3 VanDerWaalsContact C-N 3.29Å; M1-L3 PolarHBondContact O-N 3.06Å; L3-Y5 VanDerWaalsContact C-N 3.3Å; L3-Y5 PolarHBondContact O-N 3.11Å; L3-Q6 PolarHBondContact O-N 3.3Å; L3-I7 HydrophobicContact CD2-CD1 3.76Å; L3-I7 HydrophobicContact CD2-CG1 4.48Å; L3-I7 VanDerWaalsContact O-CG1 3.31Å; L3-I7 WeakPolarHBondContact O-CG1 3.41Å; L3-I7 PolarHBondContact O-N 3.19Å
4	L	58.9	Low	67.1	Low	62 Å²	62	106.5 Å²	106.5	33%	0.325	50%	0.5	S	S	.	.	H	α-helix	trans	-64.4	-35.8	173.4	-78.5	165.2	0	0	0	111.9	M1 R8 L46 L49	M1-L4 PolarHBondContact O-N 3.29Å; L4-R8 WeakPolarHBondContact O-CB 3.39Å; L4-R8 PolarHBondContact O-N 3.26Å; L4-L46 HydrophobicContact CD2-CD1 3.69Å; L4-L49 HydrophobicContact CD2-CD1 4.2Å; L4-L49 HydrophobicContact CG-CD1 4.48Å
5	Y	66.8	Low	67	Low	137 Å²	137	107.1 Å²	107.1	54%	0.537	50%	0.497	S	S	.	.	H	α-helix	trans	-68.4	-41	176	-142.4	-89.6	0	0	0	111.6	M1 R2 L3 R8 N9	M1-Y5 PolarHBondContact O-N 3.01Å; R2-Y5 WeakPolarHBondContact O-CB 3.36Å; R2-Y5 PolarHBondContact O-N 3.4Å; L3-Y5 VanDerWaalsContact C-N 3.3Å; L3-Y5 PolarHBondContact O-N 3.11Å; Y5-R8 PolarHBondContact O-N 3.24Å; Y5-N9 WeakPolarHBondContact O-CB 3.49Å; Y5-N9 VanDerWaalsContact O-CG 3.27Å; Y5-N9 PolarHBondContact O-N 3.3Å
6	Q	70.3	Confident	67	Low	119 Å²	119	107.5 Å²	107.5	56%	0.556	50%	0.499	S	S	*	.	H	α-helix	trans	-63.2	-46.2	173.2	-75	175.4	-28.4	0	0	111.6	R2 L3 R8 N9 I10	R2-Q6 WeakPolarHBondContact O-CG 3.38Å; R2-Q6 PolarHBondContact O-N 2.94Å; L3-Q6 PolarHBondContact O-N 3.3Å; Q6-R8 PolarHBondContact O-N 2.88Å; Q6-N9 PolarHBondContact O-N 3.1Å; Q6-I10 WeakPolarHBondContact O-CB 3.44Å; Q6-I10 VanDerWaalsContact O-CG1 3.26Å; Q6-I10 WeakPolarHBondContact O-CG1 3.31Å; Q6-I10 PolarHBondContact O-N 3.11Å
7	I	68	Low	67	Low	37 Å²	37	109.5 Å²	109.5	19%	0.19	51%	0.506	C	S	.	.	H	α-helix	trans	-60.2	-47.6	175.9	-68.4	169.3	0	0	0	110.1	L3 N9 I10 T11 Y42 I45	L3-I7 HydrophobicContact CD2-CD1 3.76Å; L3-I7 HydrophobicContact CD2-CG1 4.48Å; L3-I7 VanDerWaalsContact O-CG1 3.31Å; L3-I7 WeakPolarHBondContact O-CG1 3.41Å; L3-I7 PolarHBondContact O-N 3.19Å; I7-N9 VanDerWaalsContact C-N 3.3Å; I7-N9 PolarHBondContact O-N 2.9Å; I7-I10 PolarHBondContact O-N 3.05Å; I7-T11 WeakPolarHBondContact O-CB 3.34Å; I7-T11 PolarHBondContact O-N 3.22Å; I7-T11 PolarHBondContact O-OG1 3.44Å; I7-Y42 HydrophobicContact CG2-CD2 3.79Å; I7-Y42 HydrophobicContact CG2-CE2 3.97Å; I7-I45 HydrophobicContact CD1-CG2 4.17Å
8	R	69.2	Low	66.8	Low	129 Å²	129	105.4 Å²	105.4	49%	0.487	49%	0.488	S	S	.	.	H	α-helix	trans	-57	-45.1	177.2	-170.9	-175.4	108.6	170.8	3.9	111.4	L4 Y5 Q6 T11 L12	L4-R8 WeakPolarHBondContact O-CB 3.39Å; L4-R8 PolarHBondContact O-N 3.26Å; Y5-R8 PolarHBondContact O-N 3.24Å; Q6-R8 PolarHBondContact O-N 2.88Å; R8-T11 PolarHBondContact O-N 3.22Å; R8-L12 HydrophobicContact CG-CD1 4.06Å; R8-L12 WeakPolarHBondContact O-CB 3.38Å; R8-L12 PolarHBondContact O-N 3.18Å
9	N	72.3	Confident	66.5	Low	73 Å²	73	104.2 Å²	104.2	39%	0.39	48%	0.482	S	S	.	.	H	α-helix	trans	-65.1	-44.8	178.8	-75.3	-9.2	0	0	0	111.7	Y5 Q6 I7 T11 L12 L13	Y5-N9 WeakPolarHBondContact O-CB 3.49Å; Y5-N9 VanDerWaalsContact O-CG 3.27Å; Y5-N9 PolarHBondContact O-N 3.3Å; Q6-N9 PolarHBondContact O-N 3.1Å; I7-N9 VanDerWaalsContact C-N 3.3Å; I7-N9 PolarHBondContact O-N 2.9Å; N9-T11 VanDerWaalsContact C-N 3.32Å; N9-T11 PolarHBondContact O-N 3.34Å; N9-L12 PolarHBondContact O-N 3.02Å; N9-L13 VanDerWaalsContact O-CB 3.29Å; N9-L13 WeakPolarHBondContact O-CB 3.35Å; N9-L13 PolarHBondContact O-N 3.17Å
10	I	73.7	Confident	66.3	Low	100 Å²	100	104.5 Å²	104.5	51%	0.513	49%	0.488	S	S	.	.	H	α-helix	trans	-60.5	-43.8	175.4	-68.3	164.4	0	0	0	110.5	Q6 I7 L12 L13 I14	Q6-I10 WeakPolarHBondContact O-CB 3.44Å; Q6-I10 VanDerWaalsContact O-CG1 3.26Å; Q6-I10 WeakPolarHBondContact O-CG1 3.31Å; Q6-I10 PolarHBondContact O-N 3.11Å; I7-I10 PolarHBondContact O-N 3.05Å; I10-L12 PolarHBondContact O-N 3.08Å; I10-L13 PolarHBondContact O-N 3.42Å; I10-I14 HydrophobicContact CG2-CD1 3.67Å; I10-I14 HydrophobicContact CG2-CG1 4.32Å; I10-I14 WeakPolarHBondContact O-CB 3.44Å; I10-I14 VanDerWaalsContact O-CG1 3.25Å; I10-I14 WeakPolarHBondContact O-CG1 3.47Å; I10-I14 PolarHBondContact O-N 3.44Å
11	T	65	Low	65.8	Low	45 Å²	45	105.3 Å²	105.3	28%	0.276	50%	0.495	S	S	.	.	H	α-helix	trans	-63.5	-42.5	179.3	-38.4	0	0	0	0	111.4	I7 R8 N9 Y15 I38	I7-T11 WeakPolarHBondContact O-CB 3.34Å; I7-T11 PolarHBondContact O-N 3.22Å; I7-T11 PolarHBondContact O-OG1 3.44Å; R8-T11 PolarHBondContact O-N 3.22Å; N9-T11 VanDerWaalsContact C-N 3.32Å; N9-T11 PolarHBondContact O-N 3.34Å; T11-Y15 WeakPolarHBondContact O-CB 3.49Å; T11-Y15 PolarHBondContact O-N 2.89Å; T11-I38 HydrophobicContact CG2-CG2 3.71Å
12	L	71.1	Confident	65.7	Low	79 Å²	79	98.2 Å²	98.2	41%	0.414	46%	0.458	S	S	.	.	H	α-helix	trans	-65.3	-38.1	174.4	-83.2	161	0	0	0	112.4	R8 N9 I10 Y15 H16	R8-L12 HydrophobicContact CG-CD1 4.06Å; R8-L12 WeakPolarHBondContact O-CB 3.38Å; R8-L12 PolarHBondContact O-N 3.18Å; N9-L12 PolarHBondContact O-N 3.02Å; I10-L12 PolarHBondContact O-N 3.08Å; L12-Y15 PolarHBondContact O-N 3.35Å; L12-H16 PolarHBondContact O-CD2 3.44Å; L12-H16 PolarHBondContact O-N 2.78Å
13	L	72.6	Confident	65.3	Low	105 Å²	105	95.3 Å²	95.3	55%	0.55	45%	0.454	S	S	.	.	H	α-helix	trans	-70.8	-39.2	-179.8	-144.8	138.6	0	0	0	111.3	N9 I10 K17	N9-L13 VanDerWaalsContact O-CB 3.29Å; N9-L13 WeakPolarHBondContact O-CB 3.35Å; N9-L13 PolarHBondContact O-N 3.17Å; I10-L13 PolarHBondContact O-N 3.42Å; L13-K17 HydrophobicContact CD2-CD 4.36Å; L13-K17 WeakPolarHBondContact O-CB 3.29Å; L13-K17 PolarHBondContact O-N 2.93Å
14	I	70.5	Confident	64.7	Low	68 Å²	68	97.1 Å²	97.1	35%	0.349	46%	0.463	S	S	.	.	H	α-helix	trans	-63.9	-45	170.6	-68.6	168.4	0	0	0	110.1	I10 H16 K17 L18 I38	I10-I14 HydrophobicContact CG2-CD1 3.67Å; I10-I14 HydrophobicContact CG2-CG1 4.32Å; I10-I14 WeakPolarHBondContact O-CB 3.44Å; I10-I14 VanDerWaalsContact O-CG1 3.25Å; I10-I14 WeakPolarHBondContact O-CG1 3.47Å; I10-I14 PolarHBondContact O-N 3.44Å; I14-H16 PolarHBondContact O-N 3.32Å; I14-K17 PolarHBondContact O-N 3.25Å; I14-L18 HydrophobicContact CG2-CD1 3.51Å; I14-L18 HydrophobicContact CG2-CG 4.16Å; I14-L18 VanDerWaalsContact O-CB 3.29Å; I14-L18 WeakPolarHBondContact O-CB 3.46Å; I14-L18 VanDerWaalsContact O-CG 3.29Å; I14-L18 WeakPolarHBondContact O-CG 3.46Å; I14-L18 PolarHBondContact O-N 2.85Å; I14-I38 HydrophobicContact CG2-CD1 4.02Å
15	Y	65.9	Low	64.3	Low	115 Å²	115	100.2 Å²	100.2	45%	0.451	48%	0.48	S	S	.	.	H	α-helix	trans	-58.5	-47.4	176.7	-176.2	-92.8	0	0	0	111.6	T11 L12 H19 Y31	T11-Y15 WeakPolarHBondContact O-CB 3.49Å; T11-Y15 PolarHBondContact O-N 2.89Å; L12-Y15 PolarHBondContact O-N 3.35Å; Y15-H19 WeakPolarHBondContact O-CB 3.26Å; Y15-H19 PolarHBondContact O-N 3.26Å; Y15-Y31 WeakPolarHBondContact CE2-OH 3.33Å
16	H	66.7	Low	63.6	Low	114 Å²	114	101.8 Å²	101.8	53%	0.528	50%	0.498	S	S	.	.	H	α-helix	trans	-66.8	-42.7	178	-90.7	-67.2	0	0	0	113.4	L12 I14 H19 N20	L12-H16 PolarHBondContact O-CD2 3.44Å; L12-H16 PolarHBondContact O-N 2.78Å; I14-H16 PolarHBondContact O-N 3.32Å; H16-H19 PolarHBondContact O-N 2.87Å; H16-N20 PolarHBondContact O-N 3.36Å; H16-N20 VanDerWaalsContact O-N 3.09Å
17	K	66.8	Low	62.6	Low	142 Å²	142	103 Å²	103	62%	0.617	50%	0.502	S	S	*	.	H	α-helix	trans	-63.3	-44	176.1	-88.3	-173.4	172.1	-176.7	0	111.6	L13 I14 N20 L21	L13-K17 HydrophobicContact CD2-CD 4.36Å; L13-K17 WeakPolarHBondContact O-CB 3.29Å; L13-K17 PolarHBondContact O-N 2.93Å; I14-K17 PolarHBondContact O-N 3.25Å; K17-N20 PolarHBondContact O-N 2.92Å; K17-L21 WeakPolarHBondContact O-CB 3.25Å; K17-L21 WeakPolarHBondContact O-CD1 3.48Å; K17-L21 PolarHBondContact O-N 2.83Å
18	L	62.7	Low	62.1	Low	35 Å²	35	106 Å²	106	18%	0.183	53%	0.525	C	S	.	.	H	α-helix	trans	-68.5	-42.9	178	-70.8	172.9	0	0	0	111.3	I14 N20 L21 F22 Y31 I34	I14-L18 HydrophobicContact CG2-CD1 3.51Å; I14-L18 HydrophobicContact CG2-CG 4.16Å; I14-L18 VanDerWaalsContact O-CB 3.29Å; I14-L18 WeakPolarHBondContact O-CB 3.46Å; I14-L18 VanDerWaalsContact O-CG 3.29Å; I14-L18 WeakPolarHBondContact O-CG 3.46Å; I14-L18 PolarHBondContact O-N 2.85Å; L18-N20 VanDerWaalsContact C-N 3.26Å; L18-N20 PolarHBondContact O-N 3.48Å; L18-L21 PolarHBondContact O-N 2.86Å; L18-L21 VanDerWaalsContact O-N 3.16Å; L18-F22 HydrophobicContact CB-CD2 4.47Å; L18-F22 HydrophobicContact CD2-CE2 4.21Å; L18-F22 WeakPolarHBondContact O-CB 3.41Å; L18-F22 VanDerWaalsContact O-CD2 3.29Å; L18-F22 WeakPolarHBondContact O-CD2 3.44Å; L18-F22 PolarHBondContact O-N 3.36Å; L18-Y31 HydrophobicContact CB-CD2 4.4Å; L18-Y31 HydrophobicContact CB-CE2 4.07Å; L18-I34 HydrophobicContact CD1-CG2 4.08Å
19	H	62.6	Low	61.6	Low	82 Å²	82	106.1 Å²	106.1	38%	0.38	53%	0.534	S	S	.	.	H	α-helix	trans	-57.7	-39.2	176.9	-172.2	-79.4	0	0	0	112	Y15 H16	Y15-H19 WeakPolarHBondContact O-CB 3.26Å; Y15-H19 PolarHBondContact O-N 3.26Å; H16-H19 PolarHBondContact O-N 2.87Å
20	N	61.2	Low	61.3	Low	111 Å²	111	106 Å²	106	59%	0.594	54%	0.536	S	S	*	.	H	α-helix	trans	-75	-34.3	177	-73	-7.3	0	0	0	113.4	H16 K17 L18 F22	H16-N20 PolarHBondContact O-N 3.36Å; H16-N20 VanDerWaalsContact O-N 3.09Å; K17-N20 PolarHBondContact O-N 2.92Å; L18-N20 VanDerWaalsContact C-N 3.26Å; L18-N20 PolarHBondContact O-N 3.48Å; N20-F22 VanDerWaalsContact C-N 3.3Å; N20-F22 PolarHBondContact O-N 2.61Å
21	L	56.7	Low	60.7	Low	122 Å²	122	103.6 Å²	103.6	64%	0.639	52%	0.521	S	S	*	.	H	α-helix	trans	-68.9	-28	174.5	-86.5	156.1	0	0	0	112.8	K17 L18	K17-L21 WeakPolarHBondContact O-CB 3.25Å; K17-L21 WeakPolarHBondContact O-CD1 3.48Å; K17-L21 PolarHBondContact O-N 2.83Å; L18-L21 PolarHBondContact O-N 2.86Å; L18-L21 VanDerWaalsContact O-N 3.16Å
22	F	52.6	Low	60.6	Low	60 Å²	60	108.4 Å²	108.4	26%	0.263	54%	0.538	S	S	.	.	H	α-helix	trans	-89.7	-7.2	-172.4	-92.4	-81.4	0	0	0	115.4	L18 N20 L24 K27 Y31	L18-F22 HydrophobicContact CB-CD2 4.47Å; L18-F22 HydrophobicContact CD2-CE2 4.21Å; L18-F22 WeakPolarHBondContact O-CB 3.41Å; L18-F22 VanDerWaalsContact O-CD2 3.29Å; L18-F22 WeakPolarHBondContact O-CD2 3.44Å; L18-F22 PolarHBondContact O-N 3.36Å; N20-F22 VanDerWaalsContact C-N 3.3Å; N20-F22 PolarHBondContact O-N 2.61Å; F22-L24 PolarHBondContact O-N 2.94Å; F22-K27 HydrophobicContact CE1-CB 3.83Å; F22-K27 WeakPolarHBondContact CE1-O 3.48Å; F22-Y31 AromaticContact CD2-CD2 3.84Å; F22-Y31 HydrophobicContact CD2-CD2 3.84Å; F22-Y31 HydrophobicContact CE2-CD2 4.06Å; F22-Y31 HydrophobicContact CG-CD2 4.27Å
23	H	53.4	Low	60.5	Low	165 Å²	165	109.3 Å²	109.3	76%	0.764	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-7.7	168.4	-119	-62.6	0	0	0	113.4
24	L	52.6	Low	60.5	Low	139 Å²	139	107.2 Å²	107.2	73%	0.728	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-10.9	-170.9	-93.6	140	0	0	0	115.8	F22	F22-L24 PolarHBondContact O-N 2.94Å
25	N	50.2	Low	60.6	Low	127 Å²	127	106.2 Å²	106.2	68%	0.679	53%	0.528	S	S	*	.	S	Bend	trans	-159.2	135.7	178.8	-95.5	-41.6	0	0	0	113.2	K27	N25-K27 PolarHBondContact O-N 3.22Å
26	N	51.1	Low	60.7	Low	171 Å²	171	103.2 Å²	103.2	91%	0.914	52%	0.522	S	S	*	.			trans	-62.3	32.2	-169.7	-123	-9.2	0	0	0	117	C28	N26-C28 PolarHBondContact O-N 3.1Å
27	K	50.3	Low	61	Low	144 Å²	144	104.1 Å²	104.1	63%	0.626	52%	0.524	S	S	*	.			trans	-93.9	53.7	-175.7	-71	-175.3	178.9	-179.7	0	112.9	F22 N25 L29 V30	F22-K27 HydrophobicContact CE1-CB 3.83Å; F22-K27 WeakPolarHBondContact CE1-O 3.48Å; N25-K27 PolarHBondContact O-N 3.22Å; K27-L29 VanDerWaalsContact C-N 3.27Å; K27-L29 PolarHBondContact O-N 2.85Å; K27-V30 PolarHBondContact O-N 3.13Å
28	C	57	Low	61.4	Low	101 Å²	101	99.6 Å²	99.6	68%	0.682	51%	0.507	S	S	*	.	H	α-helix	trans	-59.9	-29.8	-174.5	-157.1	0	0	0	0	114.4	N26 F32	N26-C28 PolarHBondContact O-N 3.1Å; C28-F32 PolarHBondContact O-N 3.23Å
29	L	59.6	Low	61.7	Low	130 Å²	130	101 Å²	101	68%	0.681	52%	0.517	S	S	*	.	H	α-helix	trans	-72.9	-39.3	-176.8	-163.5	117.9	0	0	0	113.4	K27 Y31 F32 I33	K27-L29 VanDerWaalsContact C-N 3.27Å; K27-L29 PolarHBondContact O-N 2.85Å; L29-Y31 VanDerWaalsContact C-N 3.33Å; L29-Y31 PolarHBondContact O-N 3.48Å; L29-F32 PolarHBondContact O-N 2.95Å; L29-I33 HydrophobicContact CD2-CD1 3.72Å; L29-I33 HydrophobicContact CG-CD1 4.36Å; L29-I33 WeakPolarHBondContact O-CG1 3.3Å; L29-I33 PolarHBondContact O-N 3.47Å; L29-I33 VanDerWaalsContact O-N 3.11Å
30	V	65.5	Low	62.1	Low	70 Å²	70	102.1 Å²	102.1	42%	0.424	52%	0.524	S	S	.	.	H	α-helix	trans	-66.8	-39.4	-179.6	178.8	0	0	0	0	110.3	K27 I33 I34	K27-V30 PolarHBondContact O-N 3.13Å; V30-I33 PolarHBondContact O-N 3.49Å; V30-I34 HydrophobicContact CG1-CD1 3.75Å; V30-I34 HydrophobicContact CG1-CG1 4.4Å; V30-I34 VanDerWaalsContact O-CG1 3.29Å; V30-I34 WeakPolarHBondContact O-CG1 3.35Å; V30-I34 PolarHBondContact O-N 3.46Å
31	Y	60.3	Low	62.7	Low	51 Å²	51	100.8 Å²	100.8	20%	0.2	52%	0.517	C	S	.	.	H	α-helix	trans	-60.3	-46.1	174.9	-179.8	-100.8	0	0	0	111.9	Y15 L18 F22 L29 I33 I34 V35	Y15-Y31 WeakPolarHBondContact CE2-OH 3.33Å; L18-Y31 HydrophobicContact CB-CD2 4.4Å; L18-Y31 HydrophobicContact CB-CE2 4.07Å; F22-Y31 AromaticContact CD2-CD2 3.84Å; F22-Y31 HydrophobicContact CD2-CD2 3.84Å; F22-Y31 HydrophobicContact CE2-CD2 4.06Å; F22-Y31 HydrophobicContact CG-CD2 4.27Å; L29-Y31 VanDerWaalsContact C-N 3.33Å; L29-Y31 PolarHBondContact O-N 3.48Å; Y31-I33 PolarHBondContact O-N 2.82Å; Y31-I34 PolarHBondContact O-N 3.43Å; Y31-V35 HydrophobicContact CD1-CG2 4.25Å; Y31-V35 HydrophobicContact CD2-CG2 4.34Å; Y31-V35 HydrophobicContact CE1-CG2 3.88Å; Y31-V35 HydrophobicContact CE2-CG2 3.97Å; Y31-V35 HydrophobicContact CG-CG2 4.47Å; Y31-V35 VanDerWaalsContact O-CG2 3.31Å; Y31-V35 WeakPolarHBondContact O-CG2 3.12Å; Y31-V35 PolarHBondContact O-N 2.8Å
32	F	64.3	Low	63.4	Low	146 Å²	146	98.7 Å²	98.7	64%	0.64	50%	0.501	S	S	*	.	H	α-helix	trans	-60.8	-43.8	177.9	-173.9	-98.1	0	0	0	112.1	C28 L29 V35 V36	C28-F32 PolarHBondContact O-N 3.23Å; L29-F32 PolarHBondContact O-N 2.95Å; F32-V35 PolarHBondContact O-N 2.88Å; F32-V36 HydrophobicContact CD1-CG2 4.13Å; F32-V36 HydrophobicContact CE1-CG2 3.8Å; F32-V36 HydrophobicContact CE2-CG2 4.33Å; F32-V36 HydrophobicContact CZ-CG2 3.91Å; F32-V36 WeakPolarHBondContact O-CB 3.47Å; F32-V36 VanDerWaalsContact O-CG2 3.25Å; F32-V36 WeakPolarHBondContact O-CG2 3.3Å; F32-V36 PolarHBondContact O-N 3.29Å
33	I	68.9	Low	64.1	Low	97 Å²	97	103 Å²	103	50%	0.497	52%	0.517	S	S	.	.	H	α-helix	trans	-62.9	-45.6	178.1	-66.6	168.5	0	0	0	111.1	L29 V30 Y31 V36 F37	L29-I33 HydrophobicContact CD2-CD1 3.72Å; L29-I33 HydrophobicContact CG-CD1 4.36Å; L29-I33 WeakPolarHBondContact O-CG1 3.3Å; L29-I33 PolarHBondContact O-N 3.47Å; L29-I33 VanDerWaalsContact O-N 3.11Å; V30-I33 PolarHBondContact O-N 3.49Å; Y31-I33 PolarHBondContact O-N 2.82Å; I33-V36 PolarHBondContact O-N 2.84Å; I33-F37 WeakPolarHBondContact O-CB 3.15Å; I33-F37 PolarHBondContact O-N 2.82Å
34	I	72.7	Confident	64.8	Low	61 Å²	61	98.4 Å²	98.4	31%	0.313	50%	0.503	S	S	.	.	H	α-helix	trans	-63.7	-44.9	179.8	-68.5	169.2	0	0	0	110.7	L18 V30 Y31 F37 I38	L18-I34 HydrophobicContact CD1-CG2 4.08Å; V30-I34 HydrophobicContact CG1-CD1 3.75Å; V30-I34 HydrophobicContact CG1-CG1 4.4Å; V30-I34 VanDerWaalsContact O-CG1 3.29Å; V30-I34 WeakPolarHBondContact O-CG1 3.35Å; V30-I34 PolarHBondContact O-N 3.46Å; Y31-I34 PolarHBondContact O-N 3.43Å; I34-F37 PolarHBondContact O-N 3.48Å; I34-I38 HydrophobicContact CG2-CD1 3.66Å; I34-I38 HydrophobicContact CG2-CG1 4.35Å; I34-I38 WeakPolarHBondContact O-CB 3.34Å; I34-I38 VanDerWaalsContact O-CG1 3.27Å; I34-I38 WeakPolarHBondContact O-CG1 3.46Å; I34-I38 PolarHBondContact O-N 2.89Å
35	V	70.8	Confident	65.6	Low	47 Å²	47	94.8 Å²	94.8	29%	0.285	48%	0.483	S	S	.	.	H	α-helix	trans	-63.7	-44.9	178.7	172.6	0	0	0	0	111.1	Y31 F32 F37 I38 T39	Y31-V35 HydrophobicContact CD1-CG2 4.25Å; Y31-V35 HydrophobicContact CD2-CG2 4.34Å; Y31-V35 HydrophobicContact CE1-CG2 3.88Å; Y31-V35 HydrophobicContact CE2-CG2 3.97Å; Y31-V35 HydrophobicContact CG-CG2 4.47Å; Y31-V35 VanDerWaalsContact O-CG2 3.31Å; Y31-V35 WeakPolarHBondContact O-CG2 3.12Å; Y31-V35 PolarHBondContact O-N 2.8Å; F32-V35 PolarHBondContact O-N 2.88Å; V35-F37 PolarHBondContact O-N 3.47Å; V35-I38 PolarHBondContact O-N 3.47Å; V35-T39 WeakPolarHBondContact O-CG2 3.38Å; V35-T39 PolarHBondContact O-N 3.35Å; V35-T39 PolarHBondContact O-OG1 3.47Å
36	V	68.9	Low	66.3	Low	53 Å²	53	90.4 Å²	90.4	32%	0.321	46%	0.46	S	S	.	.	H	α-helix	trans	-60.3	-46.2	175.9	170.7	0	0	0	0	110.6	F32 I33 I38 T39 I40	F32-V36 HydrophobicContact CD1-CG2 4.13Å; F32-V36 HydrophobicContact CE1-CG2 3.8Å; F32-V36 HydrophobicContact CE2-CG2 4.33Å; F32-V36 HydrophobicContact CZ-CG2 3.91Å; F32-V36 WeakPolarHBondContact O-CB 3.47Å; F32-V36 VanDerWaalsContact O-CG2 3.25Å; F32-V36 WeakPolarHBondContact O-CG2 3.3Å; F32-V36 PolarHBondContact O-N 3.29Å; I33-V36 PolarHBondContact O-N 2.84Å; V36-I38 PolarHBondContact O-N 3.36Å; V36-T39 WeakPolarHBondContact CA-OG1 3.29Å; V36-T39 PolarHBondContact O-N 2.91Å; V36-T39 PolarHBondContact O-OG1 3.49Å; V36-I40 HydrophobicContact CG1-CD1 3.74Å; V36-I40 HydrophobicContact CG1-CG1 4.41Å; V36-I40 VanDerWaalsContact O-CG1 3.32Å; V36-I40 WeakPolarHBondContact O-CG1 3.3Å; V36-I40 PolarHBondContact O-N 3.42Å
37	F	73.8	Confident	66.6	Low	133 Å²	133	87.5 Å²	87.5	58%	0.583	44%	0.442	S	S	*	.	H	α-helix	trans	-61.6	-46.4	178.9	-165	-95.2	0	0	0	112.1	I33 I34 V35 T39 I40 L41	I33-F37 WeakPolarHBondContact O-CB 3.15Å; I33-F37 PolarHBondContact O-N 2.82Å; I34-F37 PolarHBondContact O-N 3.48Å; V35-F37 PolarHBondContact O-N 3.47Å; F37-T39 VanDerWaalsContact C-N 3.35Å; F37-T39 PolarHBondContact O-N 3.09Å; F37-I40 PolarHBondContact O-N 2.82Å; F37-L41 HydrophobicContact CD1-CD1 4.08Å; F37-L41 HydrophobicContact CE1-CD1 3.46Å; F37-L41 VanDerWaalsContact CE1-CD1 3.46Å; F37-L41 HydrophobicContact CZ-CD1 4.03Å; F37-L41 WeakPolarHBondContact O-CB 3.16Å; F37-L41 PolarHBondContact O-N 2.86Å
38	I	74.5	Confident	66.8	Low	47 Å²	47	88.2 Å²	88.2	24%	0.241	45%	0.445	C	S	.	.	H	α-helix	trans	-61.6	-42.1	176.6	-68.8	170.1	0	0	0	111	T11 I14 I34 V35 V36 L41 Y42	T11-I38 HydrophobicContact CG2-CG2 3.71Å; I14-I38 HydrophobicContact CG2-CD1 4.02Å; I34-I38 HydrophobicContact CG2-CD1 3.66Å; I34-I38 HydrophobicContact CG2-CG1 4.35Å; I34-I38 WeakPolarHBondContact O-CB 3.34Å; I34-I38 VanDerWaalsContact O-CG1 3.27Å; I34-I38 WeakPolarHBondContact O-CG1 3.46Å; I34-I38 PolarHBondContact O-N 2.89Å; V35-I38 PolarHBondContact O-N 3.47Å; V36-I38 PolarHBondContact O-N 3.36Å; I38-L41 PolarHBondContact O-N 2.9Å; I38-Y42 VanDerWaalsContact O-CB 3.3Å; I38-Y42 WeakPolarHBondContact O-CB 3.29Å; I38-Y42 PolarHBondContact O-N 3.4Å
39	T	69.7	Low	66.7	Low	65 Å²	65	86.5 Å²	86.5	40%	0.399	43%	0.429	S	S	.	.	H	α-helix	trans	-65.6	-41	177	50.4	0	0	0	0	112.7	V35 V36 F37 L41 Y42 Y43	V35-T39 WeakPolarHBondContact O-CG2 3.38Å; V35-T39 PolarHBondContact O-N 3.35Å; V35-T39 PolarHBondContact O-OG1 3.47Å; V36-T39 WeakPolarHBondContact CA-OG1 3.29Å; V36-T39 PolarHBondContact O-N 2.91Å; V36-T39 PolarHBondContact O-OG1 3.49Å; F37-T39 VanDerWaalsContact C-N 3.35Å; F37-T39 PolarHBondContact O-N 3.09Å; T39-L41 VanDerWaalsContact C-N 3.33Å; T39-L41 PolarHBondContact O-N 3.28Å; T39-Y42 PolarHBondContact O-N 3.16Å; T39-Y43 WeakPolarHBondContact O-CD2 3.29Å; T39-Y43 PolarHBondContact O-N 3.04Å
40	I	70.4	Confident	66.5	Low	104 Å²	104	85.5 Å²	85.5	53%	0.533	42%	0.423	S	S	.	.	H	α-helix	trans	-61.5	-44.6	174.3	-68.8	167.8	0	0	0	110.2	V36 F37 Y43 S44	V36-I40 HydrophobicContact CG1-CD1 3.74Å; V36-I40 HydrophobicContact CG1-CG1 4.41Å; V36-I40 VanDerWaalsContact O-CG1 3.32Å; V36-I40 WeakPolarHBondContact O-CG1 3.3Å; V36-I40 PolarHBondContact O-N 3.42Å; F37-I40 PolarHBondContact O-N 2.82Å; I40-Y43 PolarHBondContact O-N 3.49Å; I40-S44 VanDerWaalsContact O-CB 3.3Å; I40-S44 WeakPolarHBondContact O-CB 3.39Å; I40-S44 PolarHBondContact O-N 2.96Å
41	L	73.3	Confident	65.4	Low	83 Å²	83	88 Å²	88	44%	0.435	43%	0.434	S	S	.	.	H	α-helix	trans	-66.4	-41.8	-179.7	-142.5	127.7	0	0	0	111.4	F37 I38 T39 S44 I45	F37-L41 HydrophobicContact CD1-CD1 4.08Å; F37-L41 HydrophobicContact CE1-CD1 3.46Å; F37-L41 VanDerWaalsContact CE1-CD1 3.46Å; F37-L41 HydrophobicContact CZ-CD1 4.03Å; F37-L41 WeakPolarHBondContact O-CB 3.16Å; F37-L41 PolarHBondContact O-N 2.86Å; I38-L41 PolarHBondContact O-N 2.9Å; T39-L41 VanDerWaalsContact C-N 3.33Å; T39-L41 PolarHBondContact O-N 3.28Å; L41-S44 PolarHBondContact O-N 3.15Å; L41-I45 HydrophobicContact CD2-CD1 3.68Å; L41-I45 HydrophobicContact CD2-CG1 4.5Å; L41-I45 WeakPolarHBondContact O-CB 3.29Å; L41-I45 WeakPolarHBondContact O-CG1 3.32Å; L41-I45 PolarHBondContact O-N 2.69Å
42	Y	71.5	Confident	64.2	Low	78 Å²	78	91.5 Å²	91.5	31%	0.306	46%	0.455	S	S	.	.	H	α-helix	trans	-59.5	-48.6	173	178.5	-95	0	0	0	111.4	I7 I38 T39 S44 I45 L46	I7-Y42 HydrophobicContact CG2-CD2 3.79Å; I7-Y42 HydrophobicContact CG2-CE2 3.97Å; I38-Y42 VanDerWaalsContact O-CB 3.3Å; I38-Y42 WeakPolarHBondContact O-CB 3.29Å; I38-Y42 PolarHBondContact O-N 3.4Å; T39-Y42 PolarHBondContact O-N 3.16Å; Y42-S44 VanDerWaalsContact C-N 3.34Å; Y42-S44 PolarHBondContact O-N 2.76Å; Y42-I45 PolarHBondContact O-N 3.48Å; Y42-L46 HydrophobicContact CE1-CD2 4.12Å; Y42-L46 WeakPolarHBondContact O-CB 3.44Å; Y42-L46 PolarHBondContact O-N 3.17Å
43	Y	68.1	Low	62.8	Low	152 Å²	152	91.9 Å²	91.9	60%	0.596	46%	0.459	S	S	*	.	H	α-helix	trans	-64.4	-37.7	176.5	-90.7	-76.1	0	0	0	112.1	T39 I40 L46 M47	T39-Y43 WeakPolarHBondContact O-CD2 3.29Å; T39-Y43 PolarHBondContact O-N 3.04Å; I40-Y43 PolarHBondContact O-N 3.49Å; Y43-L46 PolarHBondContact O-N 3.01Å; Y43-M47 VanDerWaalsContact O-CB 3.3Å; Y43-M47 WeakPolarHBondContact O-CB 3.27Å; Y43-M47 WeakPolarHBondContact O-CG 3.47Å; Y43-M47 PolarHBondContact O-N 3.39Å
44	S	66.4	Low	61.1	Low	67 Å²	67	91.2 Å²	91.2	47%	0.469	46%	0.459	S	S	.	.	H	α-helix	trans	-67.5	-42.6	178.7	-157.6	0	0	0	0	111.9	I40 L41 Y42 K48	I40-S44 VanDerWaalsContact O-CB 3.3Å; I40-S44 WeakPolarHBondContact O-CB 3.39Å; I40-S44 PolarHBondContact O-N 2.96Å; L41-S44 PolarHBondContact O-N 3.15Å; Y42-S44 VanDerWaalsContact C-N 3.34Å; Y42-S44 PolarHBondContact O-N 2.76Å; S44-K48 WeakPolarHBondContact O-CB 3.43Å; S44-K48 WeakPolarHBondContact O-CG 3.17Å; S44-K48 PolarHBondContact O-N 2.9Å
45	I	69.4	Low	59.2	Low	64 Å²	64	91 Å²	91	33%	0.328	46%	0.461	S	S	.	.	H	α-helix	trans	-67.1	-43	173.4	-68.6	171.4	0	0	0	110.8	I7 L41 Y42 M47 K48 L49	I7-I45 HydrophobicContact CD1-CG2 4.17Å; L41-I45 HydrophobicContact CD2-CD1 3.68Å; L41-I45 HydrophobicContact CD2-CG1 4.5Å; L41-I45 WeakPolarHBondContact O-CB 3.29Å; L41-I45 WeakPolarHBondContact O-CG1 3.32Å; L41-I45 PolarHBondContact O-N 2.69Å; Y42-I45 PolarHBondContact O-N 3.48Å; I45-M47 VanDerWaalsContact C-N 3.34Å; I45-M47 PolarHBondContact O-N 3.33Å; I45-K48 PolarHBondContact O-N 2.73Å; I45-L49 HydrophobicContact CG2-CD1 3.61Å; I45-L49 HydrophobicContact CG2-CG 4.18Å; I45-L49 WeakPolarHBondContact O-CB 3.26Å; I45-L49 WeakPolarHBondContact O-CG 3.42Å; I45-L49 PolarHBondContact O-N 3.25Å
46	L	65.4	Low	57.2	Low	34 Å²	34	97 Å²	97	18%	0.178	48%	0.48	C	S	.	.	H	α-helix	trans	-61.1	-44.2	177.1	-172.4	74.7	0	0	0	110.7	L4 Y42 Y43 L49 I50	L4-L46 HydrophobicContact CD2-CD1 3.69Å; Y42-L46 HydrophobicContact CE1-CD2 4.12Å; Y42-L46 WeakPolarHBondContact O-CB 3.44Å; Y42-L46 PolarHBondContact O-N 3.17Å; Y43-L46 PolarHBondContact O-N 3.01Å; L46-L49 PolarHBondContact O-N 3.45Å; L46-I50 HydrophobicContact CD1-CD1 4.09Å; L46-I50 HydrophobicContact CD2-CD1 4.27Å; L46-I50 HydrophobicContact CG-CD1 3.69Å; L46-I50 HydrophobicContact CG-CG1 4.43Å; L46-I50 VanDerWaalsContact O-CB 3.3Å; L46-I50 WeakPolarHBondContact O-CB 3.43Å; L46-I50 WeakPolarHBondContact O-CG1 3.12Å; L46-I50 PolarHBondContact O-N 3.36Å
47	M	57	Low	55.4	Low	111 Å²	111	99.3 Å²	99.3	55%	0.547	49%	0.488	S	S	.	.	H	α-helix	trans	-66.8	-35.5	176.1	-69.5	-65	-75.4	0	0	112.1	Y43 I45 N51	Y43-M47 VanDerWaalsContact O-CB 3.3Å; Y43-M47 WeakPolarHBondContact O-CB 3.27Å; Y43-M47 WeakPolarHBondContact O-CG 3.47Å; Y43-M47 PolarHBondContact O-N 3.39Å; I45-M47 VanDerWaalsContact C-N 3.34Å; I45-M47 PolarHBondContact O-N 3.33Å; M47-N51 WeakPolarHBondContact O-CB 3.3Å; M47-N51 PolarHBondContact O-N 2.83Å; M47-N51 VanDerWaalsContact O-N 3.13Å
48	K	55.8	Low	53.2	Low	159 Å²	159	98.6 Å²	98.6	69%	0.691	49%	0.49	S	S	*	.	H	α-helix	trans	-68.8	-39.5	172.4	-81.1	-173.6	175.2	-172.8	0	113	S44 I45 N51	S44-K48 WeakPolarHBondContact O-CB 3.43Å; S44-K48 WeakPolarHBondContact O-CG 3.17Å; S44-K48 PolarHBondContact O-N 2.9Å; I45-K48 PolarHBondContact O-N 2.73Å; K48-N51 PolarHBondContact O-N 3.44Å
49	L	55	Low	51.3	Low	65 Å²	65	98.4 Å²	98.4	34%	0.34	50%	0.495	S	S	.	.	H	α-helix	trans	-73.7	-31.1	178.2	-77.5	169.4	0	0	0	112.6	L4 I45 L46	L4-L49 HydrophobicContact CD2-CD1 4.2Å; L4-L49 HydrophobicContact CG-CD1 4.48Å; I45-L49 HydrophobicContact CG2-CD1 3.61Å; I45-L49 HydrophobicContact CG2-CG 4.18Å; I45-L49 WeakPolarHBondContact O-CB 3.26Å; I45-L49 WeakPolarHBondContact O-CG 3.42Å; I45-L49 PolarHBondContact O-N 3.25Å; L46-L49 PolarHBondContact O-N 3.45Å
50	I	54.4	Low	49.4	Very low	109 Å²	109	100.7 Å²	100.7	56%	0.559	51%	0.511	S	S	*	.	H	α-helix	trans	-76.7	-27.6	175.2	-68.3	170.1	0	0	0	111	L46 L52	L46-I50 HydrophobicContact CD1-CD1 4.09Å; L46-I50 HydrophobicContact CD2-CD1 4.27Å; L46-I50 HydrophobicContact CG-CD1 3.69Å; L46-I50 HydrophobicContact CG-CG1 4.43Å; L46-I50 VanDerWaalsContact O-CB 3.3Å; L46-I50 WeakPolarHBondContact O-CB 3.43Å; L46-I50 WeakPolarHBondContact O-CG1 3.12Å; L46-I50 PolarHBondContact O-N 3.36Å; I50-L52 VanDerWaalsContact C-N 3.29Å; I50-L52 PolarHBondContact O-N 3.42Å
51	N	43.7	Very low	47.6	Very low	123 Å²	123	98.6 Å²	98.6	66%	0.658	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	21.8	176.2	-84.5	-13.6	0	0	0	114.2	M47 K48 E53	M47-N51 WeakPolarHBondContact O-CB 3.3Å; M47-N51 PolarHBondContact O-N 2.83Å; M47-N51 VanDerWaalsContact O-N 3.13Å; K48-N51 PolarHBondContact O-N 3.44Å; N51-E53 PolarHBondContact O-N 2.91Å; N51-E53 VanDerWaalsContact O-N 3.08Å
52	L	33.9	Very low	45.7	Very low	123 Å²	123	98.7 Å²	98.7	64%	0.644	51%	0.51	S	S	*	.			trans	-86.8	67.3	176.5	-136.9	142.4	0	0	0	109.3	I50	I50-L52 VanDerWaalsContact C-N 3.29Å; I50-L52 PolarHBondContact O-N 3.42Å
53	E	35.7	Very low	44	Very low	155 Å²	155	101.5 Å²	101.5	72%	0.724	54%	0.539	S	S	*	.			trans	-128.7	111.2	169.8	-78.6	-170.9	168.7	0	0	110.5	N51 T55	N51-E53 PolarHBondContact O-N 2.91Å; N51-E53 VanDerWaalsContact O-N 3.08Å; E53-T55 PolarHBondContact O-N 3.31Å
54	V	32.4	Very low	42.3	Very low	82 Å²	82	95.2 Å²	95.2	50%	0.497	52%	0.52	S	S	.	.			trans	-35.6	107.1	152.8	178.3	0	0	0	0	108.9	Y56	V54-Y56 HydrophobicContact CB-CE2 4.02Å; V54-Y56 HydrophobicContact CG1-CD1 4.42Å; V54-Y56 HydrophobicContact CG1-CD2 4.15Å; V54-Y56 HydrophobicContact CG1-CE1 3.98Å; V54-Y56 HydrophobicContact CG1-CE2 3.67Å; V54-Y56 HydrophobicContact CG1-CG 4.5Å; V54-Y56 WeakPolarHBondContact O-CD2 3.32Å; V54-Y56 PolarHBondContact O-N 2.93Å; V54-Y56 VanDerWaalsContact O-N 3.11Å
55	T	33	Very low	40.5	Very low	58 Å²	58	94.5 Å²	94.5	36%	0.356	51%	0.51	S	S	.	.			trans	-77.3	98.1	173	21.1	0	0	0	0	109.8	E53 M57	E53-T55 PolarHBondContact O-N 3.31Å; T55-M57 PolarHBondContact O-N 3.32Å; T55-M57 VanDerWaalsContact O-N 3.17Å
56	Y	28.5	Very low	38.9	Very low	172 Å²	172	94.7 Å²	94.7	68%	0.675	51%	0.509	S	S	*	.			trans	-69.3	102.7	160.6	-57	-84.6	0	0	0	108.4	V54	V54-Y56 HydrophobicContact CB-CE2 4.02Å; V54-Y56 HydrophobicContact CG1-CD1 4.42Å; V54-Y56 HydrophobicContact CG1-CD2 4.15Å; V54-Y56 HydrophobicContact CG1-CE1 3.98Å; V54-Y56 HydrophobicContact CG1-CE2 3.67Å; V54-Y56 HydrophobicContact CG1-CG 4.5Å; V54-Y56 WeakPolarHBondContact O-CD2 3.32Å; V54-Y56 PolarHBondContact O-N 2.93Å; V54-Y56 VanDerWaalsContact O-N 3.11Å
57	M	30.9	Very low	37.2	Very low	101 Å²	101	95.6 Å²	95.6	50%	0.498	51%	0.513	S	S	.	.			trans	-82.7	116.7	159.3	-93.9	-166.3	-105.7	0	0	107.7	T55 I69	T55-M57 PolarHBondContact O-N 3.32Å; T55-M57 VanDerWaalsContact O-N 3.17Å; M57-I69 HydrophobicContact CB-CD1 4.17Å; M57-I69 HydrophobicContact CE-CD1 3.75Å; M57-I69 HydrophobicContact SD-CD1 4.12Å
58	I	28.7	Very low	36.2	Very low	119 Å²	119	94 Å²	94	61%	0.61	51%	0.505	S	S	*	.			trans	-104.4	96.1	162	-60.8	174.9	0	0	0	104.6	P60 F66	I58-P60 WeakPolarHBondContact O-CD 3.2Å; I58-F66 HydrophobicContact CG2-CB 4.29Å; I58-F66 HydrophobicContact CG2-CD1 3.42Å; I58-F66 VanDerWaalsContact CG2-CD1 3.42Å; I58-F66 HydrophobicContact CG2-CE1 4.09Å; I58-F66 HydrophobicContact CG2-CG 4.12Å
59	A	33.5	Very low	35.1	Very low	43 Å²	43	88.9 Å²	88.9	36%	0.355	48%	0.484	S	S	.	.			trans	-82.3	119.9	166.1	0	0	0	0	0	107.4	T61	A59-T61 PolarHBondContact O-N 2.99Å
60	P	29.6	Very low	34.3	Very low	113 Å²	113	88.5 Å²	88.5	73%	0.734	49%	0.485	S	S	*	.			trans	-72	98.6	171.4	28.2	-29.2	0	0	0	108.2	I58	I58-P60 WeakPolarHBondContact O-CD 3.2Å
61	T	34.5	Very low	33.4	Very low	60 Å²	60	86.4 Å²	86.4	37%	0.368	48%	0.48	S	S	.	.	B	Isolated β-bridge	trans	-99.7	97.2	167.1	49.8	0	0	0	0	108.1	A59 I65	A59-T61 PolarHBondContact O-N 2.99Å; T61-I65 PolarHBondContact OG1-O 3.34Å
62	S	32.2	Very low	33.1	Very low	84 Å²	84	86.4 Å²	86.4	59%	0.587	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	164.4	-175.6	79.4	0	0	0	0	113.1	G64	S62-G64 PolarHBondContact O-N 3.29Å
63	P	36.2	Very low	33.6	Very low	138 Å²	138	85.5 Å²	85.5	90%	0.896	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	110.7	177.8	22.1	-21.1	0	0	0	109.3
64	G	31.2	Very low	33.8	Very low	20 Å²	20	85.9 Å²	85.9	21%	0.206	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	118.2	5.7	165.6	0	0	0	0	0	117.9	S62 R86 I87	S62-G64 PolarHBondContact O-N 3.29Å; G64-R86 WeakPolarHBondContact O-CA 3.46Å; G64-I87 PolarHBondContact O-N 2.91Å
65	I	29.3	Very low	33.9	Very low	51 Å²	51	84.6 Å²	84.6	26%	0.262	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.6	174.9	-55.7	174	0	0	0	110.6	T61 T84 H85 R86	T61-I65 PolarHBondContact OG1-O 3.34Å; I65-T84 HydrophobicContact CG2-CG2 3.98Å; I65-H85 WeakPolarHBondContact CA-O 3.38Å; I65-R86 HydrophobicContact CG1-CG 4.3Å
66	F	35	Very low	34	Very low	68 Å²	68	88.3 Å²	88.3	30%	0.298	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141.8	172.5	-38.7	-76.3	0	0	0	110	I58 H85 I87	I58-F66 HydrophobicContact CG2-CB 4.29Å; I58-F66 HydrophobicContact CG2-CD1 3.42Å; I58-F66 VanDerWaalsContact CG2-CD1 3.42Å; I58-F66 HydrophobicContact CG2-CE1 4.09Å; I58-F66 HydrophobicContact CG2-CG 4.12Å; F66-H85 PolarHBondContact N-O 3.37Å; F66-H85 PolarHBondContact O-N 3.26Å; F66-I87 HydrophobicContact CD2-CD1 4.12Å; F66-I87 HydrophobicContact CD2-CG1 4.33Å; F66-I87 HydrophobicContact CE2-CB 4.23Å; F66-I87 HydrophobicContact CE2-CD1 3.5Å; F66-I87 VanDerWaalsContact CE2-CD1 3.5Å; F66-I87 HydrophobicContact CE2-CG1 3.76Å; F66-I87 HydrophobicContact CZ-CD1 4.47Å
67	I	30.8	Very low	34.2	Very low	54 Å²	54	86.1 Å²	86.1	28%	0.277	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	116.6	176.9	-61.9	171.9	0	0	0	107.8	I69 I82	I67-I69 HydrophobicContact CG2-CG1 4.26Å; I67-I82 HydrophobicContact CG2-CG2 4.23Å
68	Q	35.3	Very low	34.1	Very low	77 Å²	77	90.1 Å²	90.1	36%	0.36	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	128	171.5	-178.9	173	-26.2	0	0	109.6	T70 V83	Q68-T70 HydrophobicContact CG-CG2 4.35Å; Q68-V83 PolarHBondContact N-O 3.1Å; Q68-V83 VanDerWaalsContact N-O 3.11Å
69	I	33.6	Very low	34.2	Very low	51 Å²	51	89.8 Å²	89.8	26%	0.262	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	112.9	171.1	-58.8	172.6	0	0	0	107.5	M57 I67 T80	M57-I69 HydrophobicContact CB-CD1 4.17Å; M57-I69 HydrophobicContact CE-CD1 3.75Å; M57-I69 HydrophobicContact SD-CD1 4.12Å; I67-I69 HydrophobicContact CG2-CG1 4.26Å; I69-T80 HydrophobicContact CG2-CG2 4.31Å
70	T	37.3	Very low	34.1	Very low	57 Å²	57	93 Å²	93	35%	0.35	54%	0.537	S	S	.	.			trans	-94.8	132.2	170.2	41	0	0	0	0	109.2	Q68	Q68-T70 HydrophobicContact CG-CG2 4.35Å
71	S	35.8	Very low	34.2	Very low	66 Å²	66	93.9 Å²	93.9	46%	0.462	53%	0.531	S	S	.	.			trans	-114.7	113.5	170.4	63	0	0	0	0	108.7	S73	S71-S73 PolarHBondContact O-N 3.37Å
72	D	37.2	Very low	34	Very low	122 Å²	122	97.2 Å²	97.2	65%	0.652	55%	0.546	S	S	*	.			trans	-74.7	114	172.3	-117	-17.4	0	0	0	109.4	L74	D72-L74 PolarHBondContact O-N 2.91Å
73	S	44.5	Very low	34	Very low	105 Å²	105	95.8 Å²	95.8	73%	0.734	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	4.6	-172.7	62.7	0	0	0	0	114.5	S71	S71-S73 PolarHBondContact O-N 3.37Å
74	L	40.4	Very low	33.7	Very low	162 Å²	162	94 Å²	94	85%	0.848	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	-11.2	-169.2	-86.9	152.8	0	0	0	115	D72	D72-L74 PolarHBondContact O-N 2.91Å
75	S	34.7	Very low	33.8	Very low	56 Å²	56	97.2 Å²	97.2	39%	0.392	53%	0.53	S	S	.	.			trans	-116.7	140.2	179.4	67.9	0	0	0	0	111.6	N77	S75-N77 PolarHBondContact O-N 3.49Å; S75-N77 PolarHBondContact OG-O 2.79Å
76	T	34.6	Very low	33.8	Very low	136 Å²	136	105.5 Å²	105.5	83%	0.834	56%	0.557	S	S	*	*	S	Bend	trans	-70.2	-1.9	168.5	43.8	0	0	0	0	112.8
77	N	32.3	Very low	33.9	Very low	125 Å²	125	107.5 Å²	107.5	67%	0.668	57%	0.57	S	S	*	*	S	Bend	trans	-107.6	103.8	176	-73.4	-9.7	0	0	0	109.5	S75 T79	S75-N77 PolarHBondContact O-N 3.49Å; S75-N77 PolarHBondContact OG-O 2.79Å; N77-T79 PolarHBondContact O-N 3.04Å; N77-T79 VanDerWaalsContact O-N 3.1Å
78	Y	29.4	Very low	34	Very low	185 Å²	185	110.8 Å²	110.8	73%	0.725	59%	0.593	S	S	*	*			trans	-70.9	102.1	175.6	-66.6	-91.9	0	0	0	110.2
79	T	30.4	Very low	33.9	Very low	112 Å²	112	112 Å²	112	69%	0.687	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-89.4	127.5	160.4	45.1	0	0	0	0	108.5	N77	N77-T79 PolarHBondContact O-N 3.04Å; N77-T79 VanDerWaalsContact O-N 3.1Å
80	T	32.6	Very low	33.7	Very low	110 Å²	110	114.5 Å²	114.5	68%	0.675	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-103.9	117.9	175.1	-1.1	0	0	0	0	107.3	I69	I69-T80 HydrophobicContact CG2-CG2 4.31Å
81	E	30.9	Very low	33.4	Very low	132 Å²	132	119.4 Å²	119.4	62%	0.617	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-102.2	131	171.7	-149.3	173.9	-160.9	0	0	108.4
82	I	31	Very low	33.1	Very low	130 Å²	130	121.9 Å²	121.9	67%	0.667	67%	0.671	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104.4	111.5	178.6	-64.3	171.1	0	0	0	107	I67	I67-I82 HydrophobicContact CG2-CG2 4.23Å
83	V	32	Very low	32.8	Very low	55 Å²	55	124.1 Å²	124.1	33%	0.333	68%	0.681	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.4	123.5	173.3	-173.8	0	0	0	0	109.2	Q68	Q68-V83 PolarHBondContact N-O 3.1Å; Q68-V83 VanDerWaalsContact N-O 3.11Å
84	T	29.4	Very low	31.7	Very low	99 Å²	99	126 Å²	126	61%	0.607	68%	0.681	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.7	120.4	178.6	13.7	0	0	0	0	110.6	I65	I65-T84 HydrophobicContact CG2-CG2 3.98Å
85	H	32.5	Very low	31	Very low	89 Å²	89	124 Å²	124	41%	0.412	68%	0.676	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.1	134.4	171.5	-65.5	-73.6	0	0	0	110.9	I65 F66	I65-H85 WeakPolarHBondContact CA-O 3.38Å; F66-H85 PolarHBondContact N-O 3.37Å; F66-H85 PolarHBondContact O-N 3.26Å
86	R	29.8	Very low	30.6	Very low	224 Å²	224	127.3 Å²	127.3	85%	0.845	69%	0.694	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100	119	167.7	-105.1	-179.1	175.3	171.3	-1	108.8	G64 I65	G64-R86 WeakPolarHBondContact O-CA 3.46Å; I65-R86 HydrophobicContact CG1-CG 4.3Å
87	I	36.5	Very low	30.1	Very low	110 Å²	110	130.2 Å²	130.2	56%	0.564	70%	0.695	S	S	*	*			trans	-105	118.5	171.9	-58.2	-170.6	0	0	0	109.4	G64 F66	G64-I87 PolarHBondContact O-N 2.91Å; F66-I87 HydrophobicContact CD2-CD1 4.12Å; F66-I87 HydrophobicContact CD2-CG1 4.33Å; F66-I87 HydrophobicContact CE2-CB 4.23Å; F66-I87 HydrophobicContact CE2-CD1 3.5Å; F66-I87 VanDerWaalsContact CE2-CD1 3.5Å; F66-I87 HydrophobicContact CE2-CG1 3.76Å; F66-I87 HydrophobicContact CZ-CD1 4.47Å
88	T	34.6	Very low	29.9	Very low	123 Å²	123	130.4 Å²	130.4	76%	0.755	70%	0.701	S	S	*	*			trans	-95.2	115.4	172.3	48.2	0	0	0	0	109.9
89	S	32.5	Very low	29.7	Very low	104 Å²	104	130.8 Å²	130.8	73%	0.727	71%	0.707	S	S	*	*	S	Bend	trans	46.7	127.1	160.4	57.8	0	0	0	0	122.1
90	S	29.2	Very low	29.7	Very low	102 Å²	102	134.2 Å²	134.2	71%	0.713	71%	0.714	S	S	*	*			trans	58.6	96.9	146.2	60.5	0	0	0	0	120.4
91	D	30.8	Very low	29.4	Very low	160 Å²	160	133.9 Å²	133.9	86%	0.856	71%	0.714	S	S	*	*			trans	-167.6	130.3	135.8	-90.7	-26.7	0	0	0	111
92	P	29.9	Very low	29.6	Very low	119 Å²	119	134.8 Å²	134.8	77%	0.773	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-95.7	127.6	177	33.8	-28.1	0	0	0	112.5
93	I	30	Very low	29.7	Very low	168 Å²	168	138.5 Å²	138.5	86%	0.862	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-93.9	122.5	174.5	-60.7	175.4	0	0	0	111.3
94	I	22.7	Very low	29.7	Very low	145 Å²	145	143.4 Å²	143.4	74%	0.744	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-90.4	142.1	170.5	-61.2	164.9	0	0	0	108.8
95	T	26.3	Very low	30	Very low	119 Å²	119	148 Å²	148	73%	0.73	76%	0.757	S	S	*	*			trans	177.3	110.1	142.5	22.7	0	0	0	0	113
96	T	26.3	Very low	30.1	Very low	126 Å²	126	151.2 Å²	151.2	77%	0.773	77%	0.772	S	S	*	*				75.6	120.3	105.9	56.4	0	0	0	0	118.1
97	K	24.1	Very low	30.5	Very low	198 Å²	198	149.7 Å²	149.7	86%	0.861	77%	0.774	S	S	*	*			trans	-86.9	137.8	164.9	-79.5	179.1	173.9	178.5	0	109.9
98	T	27.3	Very low	30.6	Very low	129 Å²	129	152 Å²	152	79%	0.791	78%	0.782	S	S	*	*			trans	-121.6	130.4	164.2	40.5	0	0	0	0	110.4
99	F	24.9	Very low	30.9	Very low	193 Å²	193	153.6 Å²	153.6	85%	0.846	78%	0.781	S	S	*	*			trans	-100.4	138.8	164.9	-100.3	-93.4	0	0	0	107.7
100	H	29.9	Very low	31.2	Very low	183 Å²	183	155.4 Å²	155.4	85%	0.847	78%	0.777	S	S	*	*			trans	-121.3	124.3	164.3	-89.3	-56.2	0	0	0	110.2
101	P	28	Very low	31.5	Very low	104 Å²	104	161.1 Å²	161.1	68%	0.675	78%	0.783	S	S	*	*			trans	-101.4	178.6	164.1	35.2	-24.6	0	0	0	111.8
102	Q	33.6	Very low	31.7	Very low	150 Å²	150	165.5 Å²	165.5	70%	0.701	79%	0.788	S	S	*	*			trans	92.5	148	166.8	-54.4	-168.8	8.9	0	0	116.8
103	R	33.5	Very low	31.9	Very low	208 Å²	208	171.2 Å²	171.2	79%	0.785	79%	0.794	S	S	*	*			cis	-167.4	166.5	-11.3	-108.9	171.5	-179.9	173.5	-4	107.2
104	H	31.7	Very low	32.2	Very low	159 Å²	159	175 Å²	175	74%	0.736	80%	0.798	S	S	*	*			trans	-55	155	178.7	-69.3	-87	0	0	0	116.8
105	H	36.1	Very low	32.8	Very low	194 Å²	194	179.8 Å²	179.8	90%	0.898	81%	0.806	S	S	*	*			trans	-145	130.1	138.4	-88.6	-59.4	0	0	0	112.1
106	H	35.1	Very low	33.4	Very low	157 Å²	157	178.9 Å²	178.9	73%	0.727	80%	0.802	S	S	*	*			trans	-77.4	150.6	167.5	-76	-69.8	0	0	0	110.9
107	H	38.5	Very low	34	Very low	192 Å²	192	183.1 Å²	183.1	89%	0.889	80%	0.804	S	S	*	*			trans	-153.7	133.3	139.2	-95	-55.9	0	0	0	112
108	H	36.9	Very low	34.6	Very low	159 Å²	159	182.1 Å²	182.1	74%	0.736	80%	0.802	S	S	*	*			trans	-68.9	155.4	173.1	-75.4	-84.4	0	0	0	112.2
109	H	41.2	Very low	34.9	Very low	157 Å²	157	179.4 Å²	179.4	73%	0.727	80%	0.8	S	S	*	*				-179.2	129.8	112.3	-91.1	-63.5	0	0	0	113.7
110	H	39.6	Very low	35.2	Very low	141 Å²	141	178.9 Å²	178.9	65%	0.653	80%	0.8	S	S	*	*			trans	60.6	111.5	139.9	-66.8	-43.3	0	0	0	124.6
111	R	34.6	Very low	35.4	Very low	222 Å²	222	181.5 Å²	181.5	84%	0.838	80%	0.802	S	S	*	*				50.2	118.4	116.6	-69.5	-178	173.4	-179.3	-0.8	117.7
112	R	35.3	Very low	35.5	Very low	252 Å²	252	183.9 Å²	183.9	95%	0.951	81%	0.805	S	S	*	*				-161.8	139.2	104.8	-103.9	169.8	-173.1	-172.1	2.8	112.4
113	R	34.7	Very low	35.3	Very low	239 Å²	239	186 Å²	186	90%	0.902	82%	0.816	S	S	*	*			trans	-65	148.5	-179.6	-66.5	167.8	168.1	-178.6	-4	111.9
114	R	36.7	Very low	35	Very low	249 Å²	249	186 Å²	186	94%	0.94	82%	0.817	S	S	*	*				-172.3	112.6	127.4	-98.7	171.7	-168	-165.6	3.6	110.5
115	R	34.6	Very low	34.9	Very low	245 Å²	245	186.3 Å²	186.3	93%	0.925	82%	0.823	S	S	*	*			trans	-122.2	170.6	152.1	-88.6	-170	179.2	175.1	0.7	104.5
116	P	39.6	Very low	34.6	Very low	100 Å²	100	188.2 Å²	188.2	65%	0.649	82%	0.822	S	S	*	*			cis	-142.7	-169.9	6.7	31.9	-7.4	0	0	0	114.9
117	R	37.4	Very low	34.2	Very low	214 Å²	214	191.2 Å²	191.2	81%	0.808	83%	0.833	S	S	*	*			trans	88.3	126	139.6	-88.7	171.2	-169.8	-179.6	1.6	121.5
118	H	37.3	Very low	33.8	Very low	177 Å²	177	185.6 Å²	185.6	82%	0.819	83%	0.827	S	S	*	*			trans	63.9	123.4	143	-69.7	-33.2	0	0	0	120.9
119	G	32.8	Very low	33.4	Very low	73 Å²	73	187.5 Å²	187.5	75%	0.753	83%	0.833	S	S	*	*			trans	-174.5	70.8	164.5	0	0	0	0	0	109.5	R121	G119-R121 PolarHBondContact O-N 3.45Å
120	H	31.8	Very low	32.7	Very low	181 Å²	181	184.9 Å²	184.9	84%	0.838	83%	0.833	S	S	*	*			trans	-54	124	159.5	-98	-89.1	0	0	0	108.1
121	R	33.7	Very low	32.1	Very low	239 Å²	239	185.4 Å²	185.4	90%	0.902	84%	0.839	S	S	*	*			trans	-142.5	104	154.3	-112.1	179	-178.6	176.3	0.6	108.6	G119	G119-R121 PolarHBondContact O-N 3.45Å
122	E	30.2	Very low	31.8	Very low	154 Å²	154	183 Å²	183	72%	0.72	84%	0.835	S	S	*	*			trans	-53	131	158.7	-68	179.3	123.7	0	0	109.5
123	M	30.1	Very low	31.4	Very low	193 Å²	193	176.8 Å²	176.8	95%	0.951	83%	0.825	S	S	*	*			trans	-121.7	87.5	150.2	-101.8	-176.1	-148.7	0	0	107
124	R	27.4	Very low	31.1	Very low	209 Å²	209	171.7 Å²	171.7	79%	0.789	81%	0.814	S	S	*	*			trans	-81	159	148.7	-80.7	178	170.9	169.7	-2	108
125	L	29.3	Very low	30.7	Very low	165 Å²	165	168.6 Å²	168.6	86%	0.864	81%	0.808	S	S	*	*			trans	89.4	121.3	179.9	-50.5	159	0	0	0	111.6
126	R	30	Very low	30.4	Very low	235 Å²	235	163.7 Å²	163.7	89%	0.887	80%	0.799	S	S	*	*			cis	-151.2	145.3	33.4	-72.3	178	168.3	171.9	-5.7	111.7	G128	R126-G128 PolarHBondContact O-N 3.48Å; R126-G128 VanDerWaalsContact O-N 3.09Å
127	K	27.5	Very low	29.7	Very low	219 Å²	219	167.3 Å²	167.3	95%	0.952	81%	0.805	S	S	*	*			trans	-51.1	108.1	158.4	-77.2	173.3	171.6	175	0	109.3
128	G	30.3	Very low	29.3	Very low	75 Å²	75	165.6 Å²	165.6	77%	0.773	81%	0.806	S	S	*	*			trans	-103.8	108.4	171.9	0	0	0	0	0	110.1	R126	R126-G128 PolarHBondContact O-N 3.48Å; R126-G128 VanDerWaalsContact O-N 3.09Å
129	K	27.1	Very low	28.8	Very low	199 Å²	199	164.8 Å²	164.8	87%	0.865	80%	0.802	S	S	*	*			trans	-51.9	136.9	173.7	-71.2	169.6	171.5	175.9	0	111.4
130	S	26.4	Very low	28.6	Very low	101 Å²	101	167.7 Å²	167.7	71%	0.706	81%	0.806	S	S	*	*			trans	27.3	99.1	139.4	152.9	0	0	0	0	116.6
131	L	28.5	Very low	28.4	Very low	152 Å²	152	166.2 Å²	166.2	80%	0.796	80%	0.798	S	S	*	*			trans	-107.5	77.7	156.4	-95.4	153	0	0	0	109	I134	L131-I134 HydrophobicContact CD2-CG1 4.45Å
132	K	27	Very low	28.1	Very low	171 Å²	171	159.7 Å²	159.7	74%	0.743	79%	0.79	S	S	*	*			trans	-53.8	142.9	145.6	-82.5	176.4	172.5	174.9	0	107.6
133	T	28.2	Very low	27.9	Very low	122 Å²	122	162.7 Å²	162.7	75%	0.748	79%	0.794	S	S	*	*			trans	61.9	83.3	155.7	36.4	0	0	0	0	117.2
134	I	27.9	Very low	27.9	Very low	132 Å²	132	160 Å²	160	68%	0.677	78%	0.784	S	S	*	*			trans	-100.7	93.3	145.6	-62.5	178.7	0	0	0	107.4	L131 L136	L131-I134 HydrophobicContact CD2-CG1 4.45Å; I134-L136 HydrophobicContact CG2-CD1 4.21Å; I134-L136 PolarHBondContact O-N 2.9Å; I134-L136 VanDerWaalsContact O-N 3.07Å
135	K	27.3	Very low	27.9	Very low	185 Å²	185	157.1 Å²	157.1	80%	0.804	78%	0.783	S	S	*	*			trans	-57.2	98.5	158.3	-79.2	171.9	171.7	171.2	0	107.6	K137	K135-K137 PolarHBondContact O-N 3.4Å
136	L	28	Very low	28.2	Very low	141 Å²	141	161.1 Å²	161.1	74%	0.738	79%	0.787	S	S	*	*			trans	-82.8	93.6	156.7	-124.5	107.1	0	0	0	107.4	I134 Q138	I134-L136 HydrophobicContact CG2-CD1 4.21Å; I134-L136 PolarHBondContact O-N 2.9Å; I134-L136 VanDerWaalsContact O-N 3.07Å; L136-Q138 VanDerWaalsContact C-N 3.32Å; L136-Q138 PolarHBondContact O-N 2.92Å
137	K	26.8	Very low	28.2	Very low	177 Å²	177	158.6 Å²	158.6	77%	0.77	78%	0.783	S	S	*	*			trans	-55.6	99.6	155.9	-77.2	176.1	172.2	179.3	0	107.3	K135	K135-K137 PolarHBondContact O-N 3.4Å
138	Q	28.5	Very low	28.3	Very low	177 Å²	177	154.7 Å²	154.7	83%	0.827	78%	0.778	S	S	*	*			trans	-107.7	94.1	142	-89.5	-177.9	-18.5	0	0	106.7	L136 V140	L136-Q138 VanDerWaalsContact C-N 3.32Å; L136-Q138 PolarHBondContact O-N 2.92Å; Q138-V140 PolarHBondContact O-N 3.48Å
139	Q	27.2	Very low	28.3	Very low	160 Å²	160	163.1 Å²	163.1	75%	0.748	79%	0.786	S	S	*	*			trans	-52.6	119.1	156.5	-73.6	160.5	-56.1	0	0	108.1
140	V	28	Very low	28.4	Very low	135 Å²	135	156.9 Å²	156.9	82%	0.818	78%	0.778	S	S	*	*				-139.3	112.9	112	178.5	0	0	0	0	106	Q138 S142	Q138-V140 PolarHBondContact O-N 3.48Å; V140-S142 PolarHBondContact O-N 3.3Å; V140-S142 VanDerWaalsContact O-N 3.09Å
141	H	26.5	Very low	28.6	Very low	149 Å²	149	162 Å²	162	69%	0.69	79%	0.788	S	S	*	*			trans	-56.7	108.6	165.3	-77.9	-22.5	0	0	0	109.5
142	S	27.3	Very low	28.7	Very low	103 Å²	103	161.9 Å²	161.9	72%	0.72	79%	0.788	S	S	*	*			trans	-115.7	78.3	146.2	64.6	0	0	0	0	107.3	V140 L144	V140-S142 PolarHBondContact O-N 3.3Å; V140-S142 VanDerWaalsContact O-N 3.09Å; S142-L144 PolarHBondContact O-N 3.44Å
143	R	27.4	Very low	28.9	Very low	216 Å²	216	161.5 Å²	161.5	82%	0.815	79%	0.794	S	S	*	*			trans	-65.3	89.8	157.1	-76	-179.9	172.9	175.4	-2.1	106.5
144	L	29.7	Very low	29.1	Very low	138 Å²	138	159.4 Å²	159.4	72%	0.723	78%	0.781	S	S	*	*			trans	-106	108.6	158.2	-91.6	158.9	0	0	0	106.5	S142 W146	S142-L144 PolarHBondContact O-N 3.44Å; L144-W146 PolarHBondContact O-N 2.96Å; L144-W146 VanDerWaalsContact O-N 3.1Å
145	N	27.9	Very low	29.6	Very low	147 Å²	147	155.1 Å²	155.1	79%	0.786	76%	0.762	S	S	*	*			trans	-50	109.4	174	-79	-28.2	0	0	0	110.4
146	W	34.5	Very low	30.3	Very low	250 Å²	250	147.2 Å²	147.2	95%	0.947	73%	0.73	S	S	*	*			trans	-101.8	18.8	160.8	-65.5	-36.2	0	0	0	112.3	L144	L144-W146 PolarHBondContact O-N 2.96Å; L144-W146 VanDerWaalsContact O-N 3.1Å
147	K	29.6	Very low	31.2	Very low	181 Å²	181	147.8 Å²	147.8	79%	0.787	73%	0.726	S	S	*	*	S	Bend	trans	-94	135	159.8	-73.6	-175.9	174.3	-176.1	0	107.3
148	T	30	Very low	32.5	Very low	138 Å²	138	144.6 Å²	144.6	85%	0.847	72%	0.718	S	S	*	*			trans	72.5	85.7	173	63.9	0	0	0	0	118.2
149	R	30.8	Very low	33.9	Very low	251 Å²	251	138.3 Å²	138.3	95%	0.947	69%	0.688	S	S	*	*			trans	-164.8	92.5	134.7	-97.7	177	-170.6	-169.1	1.9	103.9
150	G	29.1	Very low	35.9	Very low	68 Å²	68	131.3 Å²	131.3	70%	0.701	66%	0.655	S	S	*	*				98.6	106.7	76.4	0	0	0	0	0	105.7	N152	G150-N152 PolarHBondContact O-N 3.34Å
151	K	30.4	Very low	37.6	Very low	210 Å²	210	131.6 Å²	131.6	91%	0.913	65%	0.651	S	S	*	*	S	Bend	trans	-29.8	100.5	171.2	-68.8	167	171.8	177.3	0	110.8
152	N	30.7	Very low	39.4	Very low	149 Å²	149	128.8 Å²	128.8	80%	0.797	65%	0.646	S	S	*	*			trans	-175.1	37.3	164.3	-88.4	-10.2	0	0	0	108.5	G150 V154	G150-N152 PolarHBondContact O-N 3.34Å; N152-V154 PolarHBondContact O-N 3.33Å
153	D	31.5	Very low	41.5	Very low	162 Å²	162	125.9 Å²	125.9	87%	0.866	62%	0.622	S	S	*	*			trans	-65.9	88.2	161.5	-89.2	-20.2	0	0	0	105.8	S155	D153-S155 PolarHBondContact O-N 2.89Å
154	V	31.8	Very low	43.5	Very low	79 Å²	79	125.7 Å²	125.7	48%	0.479	62%	0.623	S	S	.	*			trans	-59	99.5	157.3	177.6	0	0	0	0	103.8	N152 T156	N152-V154 PolarHBondContact O-N 3.33Å; V154-T156 PolarHBondContact O-N 3.43Å
155	S	38.2	Very low	45.8	Very low	41 Å²	41	120.9 Å²	120.9	29%	0.287	60%	0.598	S	S	.	*			trans	-66.2	131.9	-166.8	77.5	0	0	0	0	106.5	D153 K157 D158	D153-S155 PolarHBondContact O-N 2.89Å; S155-K157 PolarHBondContact O-N 3.45Å; S155-K157 VanDerWaalsContact OG-CB 3.31Å; S155-K157 WeakPolarHBondContact OG-CB 3.31Å; S155-D158 PolarHBondContact O-N 3.2Å
156	T	42.1	Very low	48.4	Very low	19 Å²	19	119.2 Å²	119.2	12%	0.117	59%	0.589	C	S	.	*	T	Hydrogen-bonded Turn	trans	-58.6	-1.7	171.4	38.5	0	0	0	0	113.1	V154 D158 F159 T196	V154-T156 PolarHBondContact O-N 3.43Å; T156-D158 PolarHBondContact O-N 2.96Å; T156-F159 HydrophobicContact CG2-CD2 4.03Å; T156-F159 HydrophobicContact CG2-CE2 4.07Å; T156-T196 WeakPolarHBondContact OG1-CG2 3.32Å; T156-T196 PolarHBondContact OG1-O 3.05Å
157	K	47.7	Very low	50.9	Low	153 Å²	153	109.4 Å²	109.4	67%	0.665	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-26	165.9	-58	179.4	171.6	178	0	112.3	S155 F159 F160	S155-K157 PolarHBondContact O-N 3.45Å; S155-K157 VanDerWaalsContact OG-CB 3.31Å; S155-K157 WeakPolarHBondContact OG-CB 3.31Å; K157-F159 VanDerWaalsContact C-N 3.32Å; K157-F159 PolarHBondContact O-N 3Å; K157-F160 CarbonylContact O-C 3.57Å; K157-F160 PolarHBondContact O-N 3.49Å
158	D	53.7	Low	53.6	Low	111 Å²	111	105.5 Å²	105.5	59%	0.594	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-28.1	-178	-60.2	-26.8	0	0	0	111.8	S155 T156	S155-D158 PolarHBondContact O-N 3.2Å; T156-D158 PolarHBondContact O-N 2.96Å
159	F	58.8	Low	56.3	Low	45 Å²	45	101.7 Å²	101.7	20%	0.197	53%	0.526	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-28.3	177.5	-59.3	-55.5	0	0	0	114	T156 K157 E204 W207	T156-F159 HydrophobicContact CG2-CD2 4.03Å; T156-F159 HydrophobicContact CG2-CE2 4.07Å; K157-F159 VanDerWaalsContact C-N 3.32Å; K157-F159 PolarHBondContact O-N 3Å; F159-E204 HydrophobicContact CE1-CB 3.88Å; F159-E204 HydrophobicContact CE1-CG 3.72Å; F159-E204 HydrophobicContact CZ-CB 3.53Å; F159-E204 HydrophobicContact CZ-CG 3.95Å; F159-W207 AromaticContact CD1-CD1 3.62Å; F159-W207 AromaticContact CE1-CD1 3.91Å
160	F	68.6	Low	59.1	Low	12 Å²	12	90 Å²	90	5%	0.053	48%	0.483	C	S	.	.	S	Bend	trans	-138.3	94.4	-168.1	-58.3	-70.4	0	0	0	110.2	K157 L195 L199 W207 F321 H324	K157-F160 CarbonylContact O-C 3.57Å; K157-F160 PolarHBondContact O-N 3.49Å; F160-L195 HydrophobicContact CD1-CD2 3.67Å; F160-L195 HydrophobicContact CD2-CD2 4.07Å; F160-L195 HydrophobicContact CD2-CG 4.26Å; F160-L195 HydrophobicContact CE1-CD2 3.43Å; F160-L195 VanDerWaalsContact CE1-CD2 3.43Å; F160-L195 HydrophobicContact CE1-CG 4.42Å; F160-L195 HydrophobicContact CE2-CD2 3.88Å; F160-L195 HydrophobicContact CE2-CG 4.02Å; F160-L195 HydrophobicContact CG-CD2 3.98Å; F160-L195 HydrophobicContact CZ-CD2 3.54Å; F160-L195 HydrophobicContact CZ-CG 4.09Å; F160-L199 HydrophobicContact CE2-CD1 3.57Å; F160-L199 HydrophobicContact CZ-CD1 3.75Å; F160-W207 AromaticContact CZ-CZ2 3.91Å; F160-W207 HydrophobicContact CZ-CZ2 3.91Å; F160-F321 HydrophobicContact CE1-CD2 4.32Å; F160-F321 HydrophobicContact CZ-CD2 4.46Å; F160-H324 HydrophobicContact CD1-CB 3.7Å; F160-H324 AromaticContact CD1-CD2 3.73Å; F160-H324 AromaticContact CD1-CG 3.64Å; F160-H324 HydrophobicContact CE1-CB 4.2Å
161	L	64.1	Low	61.9	Low	141 Å²	141	88.7 Å²	88.7	74%	0.738	46%	0.459	S	S	*	.			trans	-56.4	133.8	171.1	-72.3	168.4	0	0	0	110.4	L163 H324	L161-L163 PolarHBondContact O-N 3.36Å; L161-H324 PolarHBondContact O-CE1 2.72Å; L161-H324 PolarHBondContact O-ND1 3.33Å
162	P	64.1	Low	64.1	Low	91 Å²	91	83.4 Å²	83.4	59%	0.591	44%	0.441	S	S	*	.			trans	-49.4	129.2	-178.6	-27.5	33.7	0	0	0	113.4	Y164	P162-Y164 HydrophobicContact CB-CE2 4.38Å; P162-Y164 WeakPolarHBondContact O-CD2 3.35Å; P162-Y164 PolarHBondContact O-N 2.73Å
163	L	71.1	Confident	65.9	Low	42 Å²	42	82.2 Å²	82.2	22%	0.22	43%	0.431	C	S	.	.			trans	-75.7	109	172.3	-64.4	174.1	0	0	0	109.6	L161 L165 E320 L323 H324 Y429	L161-L163 PolarHBondContact O-N 3.36Å; L163-L165 HydrophobicContact CB-CD1 4.2Å; L163-L165 HydrophobicContact CB-CD2 4.39Å; L163-L165 HydrophobicContact CB-CG 4.04Å; L163-L165 PolarHBondContact O-N 3.23Å; L163-E320 HydrophobicContact CD1-CG 4.3Å; L163-L323 HydrophobicContact CD1-CB 3.8Å; L163-L323 HydrophobicContact CD1-CD1 4.15Å; L163-L323 HydrophobicContact CD2-CB 4.46Å; L163-H324 WeakPolarHBondContact CG-CE1 3.18Å; L163-Y429 HydrophobicContact CD1-CE1 3.88Å
164	Y	68.5	Low	67.9	Low	211 Å²	211	76.4 Å²	76.4	83%	0.827	40%	0.403	S	S	*	.			trans	-78.4	109.1	167.1	-64.1	-83.6	0	0	0	109	P162	P162-Y164 HydrophobicContact CB-CE2 4.38Å; P162-Y164 WeakPolarHBondContact O-CD2 3.35Å; P162-Y164 PolarHBondContact O-N 2.73Å
165	L	77.8	Confident	70	Confident	37 Å²	37	76.4 Å²	76.4	19%	0.194	40%	0.4	C	S	.	.			trans	-119.8	116.8	-177	-60.5	172	0	0	0	109.2	L163 S167 K426 Y429 T430	L163-L165 HydrophobicContact CB-CD1 4.2Å; L163-L165 HydrophobicContact CB-CD2 4.39Å; L163-L165 HydrophobicContact CB-CG 4.04Å; L163-L165 PolarHBondContact O-N 3.23Å; L165-S167 PolarHBondContact O-N 2.75Å; L165-K426 HydrophobicContact CD2-CG 4.48Å; L165-Y429 HydrophobicContact CD1-CD1 3.68Å; L165-Y429 HydrophobicContact CD1-CE1 3.55Å; L165-T430 HydrophobicContact CB-CG2 3.73Å; L165-T430 HydrophobicContact CD1-CG2 4.45Å
166	N	84.2	Confident	71.9	Confident	113 Å²	113	74.6 Å²	74.6	60%	0.604	39%	0.387	S	S	*	.			trans	-66.3	124.2	168	-179.3	7.2	0	0	0	108.4	S168 F169 T430	N166-S168 PolarHBondContact ND2-OG 3.4Å; N166-S168 WeakPolarHBondContact OD1-CB 3.18Å; N166-S168 PolarHBondContact OD1-N 3.03Å; N166-S168 PolarHBondContact OD1-OG 3.26Å; N166-S168 VanDerWaalsContact OD1-OG 3.1Å; N166-F169 WeakPolarHBondContact O-CE1 3.22Å; N166-T430 WeakPolarHBondContact O-CG2 3.33Å
167	S	85.4	Confident	73.8	Confident	44 Å²	44	76.6 Å²	76.6	31%	0.308	39%	0.393	S	S	.	.			trans	-113.9	10	-178.7	59.3	0	0	0	0	113.7	L165 F169 C170	L165-S167 PolarHBondContact O-N 2.75Å; S167-F169 PolarHBondContact O-N 3.28Å; S167-F169 VanDerWaalsContact O-N 3.09Å; S167-C170 VanDerWaalsContact O-CB 3.3Å; S167-C170 WeakPolarHBondContact O-CB 3.33Å; S167-C170 PolarHBondContact O-N 3.27Å
168	S	87.2	Confident	75	Confident	99 Å²	99	72.9 Å²	72.9	69%	0.692	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.2	-178	66.4	0	0	0	0	114.1	N166	N166-S168 PolarHBondContact ND2-OG 3.4Å; N166-S168 WeakPolarHBondContact OD1-CB 3.18Å; N166-S168 PolarHBondContact OD1-N 3.03Å; N166-S168 PolarHBondContact OD1-OG 3.26Å; N166-S168 VanDerWaalsContact OD1-OG 3.1Å
169	F	87.1	Confident	75.8	Confident	57 Å²	57	69.9 Å²	69.9	25%	0.25	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-20.2	176.6	64.6	-97.2	0	0	0	113.4	N166 S167 L171 Q427 T430 C431	N166-F169 WeakPolarHBondContact O-CE1 3.22Å; S167-F169 PolarHBondContact O-N 3.28Å; S167-F169 VanDerWaalsContact O-N 3.09Å; F169-L171 PolarHBondContact O-N 3.11Å; F169-Q427 HydrophobicContact CE2-CB 3.89Å; F169-Q427 HydrophobicContact CE2-CG 4.12Å; F169-Q427 HydrophobicContact CZ-CB 4.01Å; F169-Q427 HydrophobicContact CZ-CG 4.02Å; F169-T430 HydrophobicContact CE1-CG2 4.3Å; F169-T430 HydrophobicContact CZ-CG2 3.94Å; F169-C431 WeakPolarHBondContact CE2-SG 3.42Å
170	C	89.1	Confident	76.4	Confident	6 Å²	6	70 Å²	70	4%	0.041	38%	0.378	C	S	.	.	S	Bend	trans	-68.4	130.1	178.1	-59	0	0	0	0	108.8	S167 N172 C431 L434 V452	S167-C170 VanDerWaalsContact O-CB 3.3Å; S167-C170 WeakPolarHBondContact O-CB 3.33Å; S167-C170 PolarHBondContact O-N 3.27Å; C170-N172 PolarHBondContact O-N 2.96Å; C170-C431 HydrophobicContact CB-CB 4Å; C170-C431 WeakPolarHBondContact CB-SG 2.83Å; C170-C431 WeakPolarHBondContact SG-CA 3.27Å; C170-C431 WeakPolarHBondContact SG-CB 3.24Å; C170-C431 CovalentContact SG-SG 2.04Å; C170-C431 PolarHBondContact SG-SG 3.07Å; C170-L434 HydrophobicContact CB-CD1 3.78Å; C170-V452 WeakPolarHBondContact CA-O 3.36Å
171	L	87.4	Confident	76.3	Confident	40 Å²	40	78.1 Å²	78.1	21%	0.209	41%	0.413	C	S	.	.			trans	-60.1	139	168.4	-62	178.7	0	0	0	108.2	F169 Y435 Y451 V452 K454	F169-L171 PolarHBondContact O-N 3.11Å; L171-Y435 PolarHBondContact O-OH 3.38Å; L171-Y451 HydrophobicContact CD1-CD1 4.45Å; L171-Y451 HydrophobicContact CD1-CE1 4.01Å; L171-V452 HydrophobicContact CB-CB 4.23Å; L171-V452 PolarHBondContact N-O 3.35Å; L171-K454 HydrophobicContact CG-CG 4.42Å
172	N	77.4	Confident	76.5	Confident	100 Å²	100	77.8 Å²	77.8	54%	0.535	41%	0.405	S	S	.	.			trans	-104	51.8	174.9	-70.3	-22.9	0	0	0	109.8	C170 Y177	C170-N172 PolarHBondContact O-N 2.96Å; N172-Y177 HydrophobicContact CB-CE2 4.42Å; N172-Y177 WeakPolarHBondContact OD1-CE2 3.49Å
173	Q	68.9	Low	76.3	Confident	123 Å²	123	74.3 Å²	74.3	58%	0.575	38%	0.38	S	S	*	.			trans	-130.2	125.1	-173.3	-64.8	178.2	-9.9	0	0	108.8	Y435	Q173-Y435 PolarHBondContact N-OH 3.38Å; Q173-Y435 VanDerWaalsContact N-OH 3.12Å; Q173-Y435 PolarHBondContact O-OH 2.86Å; Q173-Y435 VanDerWaalsContact O-OH 3.08Å
174	S	73.1	Confident	75.5	Confident	41 Å²	41	74.8 Å²	74.8	29%	0.287	39%	0.385	S	S	.	.	S	Bend	trans	141.5	153.5	168.6	172.1	0	0	0	0	110.3	F176 Y177	S174-F176 PolarHBondContact O-N 3.26Å; S174-F176 WeakPolarHBondContact OG-CD2 3.47Å; S174-F176 PolarHBondContact OG-N 2.79Å; S174-Y177 WeakPolarHBondContact O-CB 3.35Å; S174-Y177 PolarHBondContact O-N 2.8Å
175	N	75.1	Confident	74.7	Confident	78 Å²	78	73.7 Å²	73.7	42%	0.417	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.2	173	-69.8	-19.4	0	0	0	112.7	Y177 Y183 Q403	N175-Y177 VanDerWaalsContact C-N 3.33Å; N175-Y183 WeakPolarHBondContact O-CD2 3.35Å; N175-Y183 WeakPolarHBondContact O-CE2 3.41Å; N175-Q403 PolarHBondContact ND2-OE1 3.35Å
176	F	79.6	Confident	73.7	Confident	3 Å²	3	73.5 Å²	73.5	1%	0.013	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-3.6	-179.3	-61.7	-74.3	0	0	0	114.5	S174 I178 P400 W402 Y435 I436 F438 L448	S174-F176 PolarHBondContact O-N 3.26Å; S174-F176 WeakPolarHBondContact OG-CD2 3.47Å; S174-F176 PolarHBondContact OG-N 2.79Å; F176-I178 PolarHBondContact O-N 2.91Å; F176-P400 HydrophobicContact CD1-CG 4.07Å; F176-P400 HydrophobicContact CE1-CB 3.95Å; F176-P400 HydrophobicContact CE1-CG 3.7Å; F176-W402 HydrophobicContact CD2-CZ3 4.41Å; F176-W402 AromaticContact CE2-CE3 3.66Å; F176-W402 HydrophobicContact CE2-CE3 3.66Å; F176-W402 AromaticContact CE2-CZ3 3.92Å; F176-W402 HydrophobicContact CE2-CZ3 3.92Å; F176-W402 HydrophobicContact CZ-CE3 4.38Å; F176-Y435 HydrophobicContact CB-CD1 4.23Å; F176-I436 PolarHBondContact O-N 3.48Å; F176-F438 HydrophobicContact CD1-CB 3.94Å; F176-F438 AromaticContact CD1-CD1 3.83Å; F176-F438 HydrophobicContact CD1-CD1 3.83Å; F176-F438 HydrophobicContact CD1-CG 4.16Å; F176-F438 AromaticContact CD2-CD1 3.83Å; F176-F438 HydrophobicContact CD2-CD1 3.83Å; F176-F438 HydrophobicContact CD2-CE1 4.03Å; F176-F438 HydrophobicContact CD2-CG 4.49Å; F176-F438 HydrophobicContact CE1-CB 3.45Å; F176-F438 VanDerWaalsContact CE1-CB 3.45Å; F176-F438 AromaticContact CE1-CD1 3.89Å; F176-F438 HydrophobicContact CE1-CD1 3.89Å; F176-F438 AromaticContact CE1-CG 3.77Å; F176-F438 HydrophobicContact CE1-CG 3.77Å; F176-F438 AromaticContact CE2-CD1 3.9Å; F176-F438 HydrophobicContact CE2-CD1 3.9Å; F176-F438 HydrophobicContact CE2-CE1 4.16Å; F176-F438 HydrophobicContact CE2-CG 4.15Å; F176-F438 AromaticContact CG-CD1 3.81Å; F176-F438 HydrophobicContact CG-CD1 3.81Å; F176-F438 HydrophobicContact CG-CE1 4.37Å; F176-F438 HydrophobicContact CZ-CB 3.89Å; F176-F438 AromaticContact CZ-CD1 3.93Å; F176-F438 HydrophobicContact CZ-CD1 3.93Å; F176-F438 HydrophobicContact CZ-CD2 4.27Å; F176-F438 AromaticContact CZ-CG 3.77Å; F176-F438 HydrophobicContact CZ-CG 3.77Å; F176-L448 HydrophobicContact CB-CD2 4.04Å; F176-L448 HydrophobicContact CD2-CD2 4.1Å; F176-L448 HydrophobicContact CG-CD2 4.39Å
177	Y	80.4	Confident	72.3	Confident	62 Å²	62	76.6 Å²	76.6	24%	0.243	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-62.7	133.6	176.9	-176.5	-111.8	0	0	0	110.7	N172 S174 N175 G179 N180 L434 Y435	N172-Y177 HydrophobicContact CB-CE2 4.42Å; N172-Y177 WeakPolarHBondContact OD1-CE2 3.49Å; S174-Y177 WeakPolarHBondContact O-CB 3.35Å; S174-Y177 PolarHBondContact O-N 2.8Å; N175-Y177 VanDerWaalsContact C-N 3.33Å; Y177-G179 VanDerWaalsContact CD1-N 3.31Å; Y177-G179 PolarHBondContact O-N 3.48Å; Y177-N180 WeakPolarHBondContact O-CB 3.37Å; Y177-N180 PolarHBondContact O-N 2.91Å; Y177-L434 HydrophobicContact CD2-CB 4.26Å; Y177-L434 WeakPolarHBondContact CD2-O 3.07Å; Y177-L434 HydrophobicContact CE2-CB 3.92Å; Y177-L434 HydrophobicContact CE2-CD1 4.34Å; Y177-Y435 HydrophobicContact CD2-CE1 4.08Å; Y177-Y435 HydrophobicContact CD2-CE2 4.13Å; Y177-Y435 AromaticContact CD2-CZ 3.82Å; Y177-Y435 HydrophobicContact CG-CE1 4.47Å
178	I	73.5	Confident	70.7	Confident	75 Å²	75	82.6 Å²	82.6	39%	0.385	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-28.3	-173.8	-69.5	167.9	0	0	0	112.2	F176 N180 V184 R433 L434 I436	F176-I178 PolarHBondContact O-N 2.91Å; I178-N180 PolarHBondContact O-N 3.44Å; I178-V184 WeakPolarHBondContact O-CG2 3.25Å; I178-R433 WeakPolarHBondContact CD1-O 3.27Å; I178-L434 WeakPolarHBondContact CG1-O 3.25Å; I178-L434 PolarHBondContact N-O 3.26Å; I178-I436 HydrophobicContact CG1-CD1 4.4Å; I178-I436 HydrophobicContact CG1-CG1 3.7Å
179	G	70.3	Confident	69.1	Low	48 Å²	48	81.2 Å²	81.2	50%	0.495	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-7	174.4	0	0	0	0	0	114.8	Y177 K181	Y177-G179 VanDerWaalsContact CD1-N 3.31Å; Y177-G179 PolarHBondContact O-N 3.48Å; G179-K181 PolarHBondContact O-N 2.92Å
180	N	72.1	Confident	67.3	Low	47 Å²	47	85.4 Å²	85.4	25%	0.251	41%	0.405	S	S	.	.	S	Bend	trans	-71.3	124.6	179.9	-170.4	-41.9	0	0	0	111.3	Y177 I178 K182 Y183 V184	Y177-N180 WeakPolarHBondContact O-CB 3.37Å; Y177-N180 PolarHBondContact O-N 2.91Å; I178-N180 PolarHBondContact O-N 3.44Å; N180-K182 PolarHBondContact O-N 3.44Å; N180-K182 PolarHBondContact OD1-N 3.05Å; N180-K182 VanDerWaalsContact OD1-N 3.13Å; N180-Y183 PolarHBondContact O-N 2.82Å; N180-V184 WeakPolarHBondContact O-CG2 3.36Å; N180-V184 PolarHBondContact O-N 2.93Å
181	K	65.5	Low	65.7	Low	182 Å²	182	89.8 Å²	89.8	79%	0.791	43%	0.425	S	S	*	.	H	α-helix	trans	-48.8	-33.2	-177.2	-68.6	-176.6	-179.7	177.8	0	113.8	G179 Y183	G179-K181 PolarHBondContact O-N 2.92Å; K181-Y183 VanDerWaalsContact C-N 3.28Å; K181-Y183 PolarHBondContact O-N 3.23Å
182	K	67.9	Low	64.3	Low	134 Å²	134	93.1 Å²	93.1	58%	0.583	44%	0.441	S	S	*	.	H	α-helix	trans	-59.7	-37.1	178.8	-172.7	175.7	-177.8	174.6	0	112.5	N180	N180-K182 PolarHBondContact O-N 3.44Å; N180-K182 PolarHBondContact OD1-N 3.05Å; N180-K182 VanDerWaalsContact OD1-N 3.13Å
183	Y	61.1	Low	64	Low	18 Å²	18	89.7 Å²	89.7	7%	0.071	42%	0.423	C	S	.	.	H	α-helix	trans	-103.5	-25.3	-176.4	-65.3	-83.1	0	0	0	113.5	N175 N180 K181 K185 S186 Y189 P400 I436	N175-Y183 WeakPolarHBondContact O-CD2 3.35Å; N175-Y183 WeakPolarHBondContact O-CE2 3.41Å; N180-Y183 PolarHBondContact O-N 2.82Å; K181-Y183 VanDerWaalsContact C-N 3.28Å; K181-Y183 PolarHBondContact O-N 3.23Å; Y183-K185 PolarHBondContact O-N 3.32Å; Y183-K185 VanDerWaalsContact O-N 3.15Å; Y183-S186 PolarHBondContact O-N 3.4Å; Y183-Y189 AromaticContact CD1-CD2 3.72Å; Y183-Y189 HydrophobicContact CD1-CD2 3.72Å; Y183-Y189 AromaticContact CD1-CE2 3.98Å; Y183-Y189 HydrophobicContact CD1-CE2 3.98Å; Y183-Y189 HydrophobicContact CD1-CG 4.36Å; Y183-Y189 HydrophobicContact CE1-CD2 4.4Å; Y183-Y189 HydrophobicContact CE1-CE2 4.23Å; Y183-P400 HydrophobicContact CE1-CB 4.25Å; Y183-P400 HydrophobicContact CE1-CG 4.22Å; Y183-I436 HydrophobicContact CD1-CD1 3.74Å; Y183-I436 HydrophobicContact CD2-CD1 4.23Å; Y183-I436 HydrophobicContact CG-CD1 3.48Å; Y183-I436 VanDerWaalsContact CG-CD1 3.48Å
184	V	54.2	Low	64.4	Low	53 Å²	53	85.8 Å²	85.8	32%	0.321	41%	0.406	S	S	.	.	H	α-helix	trans	-51.3	-39	173.4	171.9	0	0	0	0	111.1	I178 N180 S186 R190	I178-V184 WeakPolarHBondContact O-CG2 3.25Å; N180-V184 WeakPolarHBondContact O-CG2 3.36Å; N180-V184 PolarHBondContact O-N 2.93Å; V184-S186 VanDerWaalsContact C-N 3.33Å; V184-S186 PolarHBondContact O-N 3.49Å; V184-R190 PolarHBondContact O-NE 3.23Å; V184-R190 PolarHBondContact O-NH2 3.01Å
185	K	51.9	Low	64.8	Low	187 Å²	187	83.8 Å²	83.8	81%	0.813	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-21.3	-178.9	-67.2	-173.7	177.9	-175.9	0	114.2	Y183 K187	Y183-K185 PolarHBondContact O-N 3.32Å; Y183-K185 VanDerWaalsContact O-N 3.15Å; K185-K187 PolarHBondContact O-N 3.33Å
186	S	56.3	Low	65.1	Low	34 Å²	34	81.2 Å²	81.2	24%	0.238	38%	0.379	C	S	.	.			trans	-89.4	103	-176.8	178.3	0	0	0	0	111	Y183 V184 R188 Y189	Y183-S186 PolarHBondContact O-N 3.4Å; V184-S186 VanDerWaalsContact C-N 3.33Å; V184-S186 PolarHBondContact O-N 3.49Å; S186-R188 PolarHBondContact O-N 3.41Å; S186-Y189 PolarHBondContact O-N 3.18Å; S186-Y189 VanDerWaalsContact O-N 3.15Å; S186-Y189 VanDerWaalsContact OG-CD2 3.27Å; S186-Y189 WeakPolarHBondContact OG-CD2 3.43Å
187	K	54.1	Low	64.9	Low	178 Å²	178	85 Å²	85	77%	0.774	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-52.2	-25.7	172.7	-70.8	-171.5	-179.5	-178	0	112.9	K185 Y189 R190	K185-K187 PolarHBondContact O-N 3.33Å; K187-Y189 VanDerWaalsContact C-N 3.29Å; K187-Y189 PolarHBondContact O-N 3.11Å; K187-R190 PolarHBondContact O-N 3.13Å
188	R	52.4	Low	64.9	Low	170 Å²	170	82.1 Å²	82.1	64%	0.642	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-64.1	-30.1	-178.6	-66.8	-174.9	178.7	176.8	0.5	113.5	S186	S186-R188 PolarHBondContact O-N 3.41Å
189	Y	54.4	Low	65.4	Low	69 Å²	69	78.8 Å²	78.8	27%	0.271	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-97.4	-7	-179.4	-58.9	-62.2	0	0	0	113.4	Y183 S186 K187 Q191 H398 I436	Y183-Y189 AromaticContact CD1-CD2 3.72Å; Y183-Y189 HydrophobicContact CD1-CD2 3.72Å; Y183-Y189 AromaticContact CD1-CE2 3.98Å; Y183-Y189 HydrophobicContact CD1-CE2 3.98Å; Y183-Y189 HydrophobicContact CD1-CG 4.36Å; Y183-Y189 HydrophobicContact CE1-CD2 4.4Å; Y183-Y189 HydrophobicContact CE1-CE2 4.23Å; S186-Y189 PolarHBondContact O-N 3.18Å; S186-Y189 VanDerWaalsContact O-N 3.15Å; S186-Y189 VanDerWaalsContact OG-CD2 3.27Å; S186-Y189 WeakPolarHBondContact OG-CD2 3.43Å; K187-Y189 VanDerWaalsContact C-N 3.29Å; K187-Y189 PolarHBondContact O-N 3.11Å; Y189-Q191 VanDerWaalsContact C-N 3.29Å; Y189-Q191 PolarHBondContact O-N 3.28Å; Y189-H398 VanDerWaalsContact CE1-O 3.23Å; Y189-H398 WeakPolarHBondContact CE1-O 3.39Å; Y189-H398 PolarHBondContact OH-O 2.96Å; Y189-I436 HydrophobicContact CD1-CG2 3.79Å; Y189-I436 HydrophobicContact CG-CD1 4.49Å; Y189-I436 HydrophobicContact CG-CG2 4.11Å
190	R	49.2	Very low	65.6	Low	146 Å²	146	79.3 Å²	79.3	55%	0.551	37%	0.368	S	S	*	.			trans	-81.5	-2.2	178.8	-70.7	-170.2	-175.8	-168.9	-1	114.1	V184 K187 I192	V184-R190 PolarHBondContact O-NE 3.23Å; V184-R190 PolarHBondContact O-NH2 3.01Å; K187-R190 PolarHBondContact O-N 3.13Å; R190-I192 VanDerWaalsContact C-N 3.29Å; R190-I192 PolarHBondContact O-N 2.79Å
191	Q	56	Low	65.7	Low	98 Å²	98	80 Å²	80	46%	0.458	37%	0.371	S	S	.	.			trans	-72.6	90.3	178.6	-69.6	-174.8	-6.4	0	0	108.9	Y189 I193 S307	Y189-Q191 VanDerWaalsContact C-N 3.29Å; Y189-Q191 PolarHBondContact O-N 3.28Å; Q191-I193 PolarHBondContact O-N 3.18Å; Q191-S307 PolarHBondContact OE1-OG 3.45Å
192	I	57.5	Low	66.3	Low	109 Å²	109	72 Å²	72	56%	0.559	34%	0.336	S	S	*	.			trans	-56	113.7	170.1	-61.5	175	0	0	0	106.4	R190 N194	R190-I192 VanDerWaalsContact C-N 3.29Å; R190-I192 PolarHBondContact O-N 2.79Å; I192-N194 PolarHBondContact O-N 2.81Å
193	I	71.3	Confident	66.8	Low	28 Å²	28	69.2 Å²	69.2	14%	0.144	33%	0.328	C	S	.	.			trans	-69.5	120.4	167.5	-64.7	150.4	0	0	0	105.2	Q191 Q308 S313 L317	Q191-I193 PolarHBondContact O-N 3.18Å; I193-Q308 HydrophobicContact CG1-CB 4.13Å; I193-Q308 HydrophobicContact CG1-CG 3.93Å; I193-S313 WeakPolarHBondContact CD1-OG 3.47Å; I193-L317 HydrophobicContact CG2-CD1 3.55Å; I193-L317 HydrophobicContact CG2-CD2 3.48Å; I193-L317 VanDerWaalsContact CG2-CD2 3.48Å; I193-L317 HydrophobicContact CG2-CG 3.39Å
194	N	75.7	Confident	67.6	Low	41 Å²	41	73 Å²	73	22%	0.219	35%	0.347	C	S	.	.			trans	-135.6	152.6	173.9	68.1	12.9	0	0	0	109.4	I192 T196 N197 A198 E320	I192-N194 PolarHBondContact O-N 2.81Å; N194-T196 VanDerWaalsContact C-N 3.3Å; N194-T196 PolarHBondContact O-N 3.38Å; N194-N197 PolarHBondContact O-N 3.27Å; N194-N197 WeakPolarHBondContact OD1-CA 3.22Å; N194-N197 WeakPolarHBondContact OD1-CB 3.39Å; N194-N197 PolarHBondContact OD1-N 2.96Å; N194-N197 PolarHBondContact OD1-ND2 2.99Å; N194-A198 PolarHBondContact O-N 2.92Å; N194-A198 VanDerWaalsContact O-N 3.16Å; N194-E320 WeakPolarHBondContact CA-OE2 3.42Å
195	L	83	Confident	69	Low	0 Å²	0	73.7 Å²	73.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62.3	-39.9	-178	-171.9	63.4	0	0	0	112.2	F160 N197 A198 L199 L302 L317 E320 F321	F160-L195 HydrophobicContact CD1-CD2 3.67Å; F160-L195 HydrophobicContact CD2-CD2 4.07Å; F160-L195 HydrophobicContact CD2-CG 4.26Å; F160-L195 HydrophobicContact CE1-CD2 3.43Å; F160-L195 VanDerWaalsContact CE1-CD2 3.43Å; F160-L195 HydrophobicContact CE1-CG 4.42Å; F160-L195 HydrophobicContact CE2-CD2 3.88Å; F160-L195 HydrophobicContact CE2-CG 4.02Å; F160-L195 HydrophobicContact CG-CD2 3.98Å; F160-L195 HydrophobicContact CZ-CD2 3.54Å; F160-L195 HydrophobicContact CZ-CG 4.09Å; L195-N197 VanDerWaalsContact C-N 3.31Å; L195-N197 PolarHBondContact O-N 3.1Å; L195-A198 PolarHBondContact O-N 3.37Å; L195-A198 VanDerWaalsContact O-N 3.1Å; L195-L199 HydrophobicContact CD1-CD1 3.76Å; L195-L199 HydrophobicContact CD1-CG 4.14Å; L195-L199 HydrophobicContact CG-CD1 3.8Å; L195-L199 HydrophobicContact CG-CG 4.43Å; L195-L199 WeakPolarHBondContact O-CB 3.36Å; L195-L199 WeakPolarHBondContact O-CG 3.28Å; L195-L199 PolarHBondContact O-N 3.1Å; L195-L302 HydrophobicContact CD1-CD2 3.96Å; L195-L317 HydrophobicContact CB-CD2 4.3Å; L195-E320 HydrophobicContact CB-CG 4.02Å; L195-E320 WeakPolarHBondContact CB-OE2 3.42Å; L195-E320 HydrophobicContact CD2-CG 4.45Å; L195-E320 PolarHBondContact N-OE2 3.28Å; L195-F321 HydrophobicContact CD1-CB 4.11Å; L195-F321 HydrophobicContact CD2-CB 3.81Å; L195-F321 HydrophobicContact CD2-CD2 4.17Å
196	T	79.7	Confident	70.6	Confident	24 Å²	24	69.1 Å²	69.1	15%	0.147	34%	0.335	C	S	.	.	H	α-helix	trans	-51.3	-44.6	175.1	-56.3	0	0	0	0	113	T156 N194 S200	T156-T196 WeakPolarHBondContact OG1-CG2 3.32Å; T156-T196 PolarHBondContact OG1-O 3.05Å; N194-T196 VanDerWaalsContact C-N 3.3Å; N194-T196 PolarHBondContact O-N 3.38Å; T196-S200 WeakPolarHBondContact O-CB 3.29Å; T196-S200 PolarHBondContact O-N 3.46Å; T196-S200 VanDerWaalsContact O-N 3.14Å
197	N	76.8	Confident	72	Confident	81 Å²	81	68.1 Å²	68.1	43%	0.433	33%	0.326	S	S	.	.	H	α-helix	trans	-77.8	-36.1	177.6	-67.7	-24	0	0	0	111.8	N194 L195 L199 S200	N194-N197 PolarHBondContact O-N 3.27Å; N194-N197 WeakPolarHBondContact OD1-CA 3.22Å; N194-N197 WeakPolarHBondContact OD1-CB 3.39Å; N194-N197 PolarHBondContact OD1-N 2.96Å; N194-N197 PolarHBondContact OD1-ND2 2.99Å; L195-N197 VanDerWaalsContact C-N 3.31Å; L195-N197 PolarHBondContact O-N 3.1Å; N197-L199 PolarHBondContact O-N 3.19Å; N197-S200 WeakPolarHBondContact O-CB 2.95Å; N197-S200 PolarHBondContact O-N 2.82Å; N197-S200 PolarHBondContact O-OG 3.24Å
198	A	80.8	Confident	73.6	Confident	3 Å²	3	63.4 Å²	63.4	3%	0.025	31%	0.309	C	S	.	.	H	α-helix	trans	-66.8	-22.2	178.1	0	0	0	0	0	112.9	N194 L195 L302 F303 L304 L317	N194-A198 PolarHBondContact O-N 2.92Å; N194-A198 VanDerWaalsContact O-N 3.16Å; L195-A198 PolarHBondContact O-N 3.37Å; L195-A198 VanDerWaalsContact O-N 3.1Å; A198-L302 HydrophobicContact CB-CD2 4.17Å; A198-F303 WeakPolarHBondContact O-CB 3.47Å; A198-F303 PolarHBondContact O-N 2.97Å; A198-L304 HydrophobicContact CB-CD2 4.12Å; A198-L317 HydrophobicContact CB-CD1 3.83Å; A198-L317 HydrophobicContact CB-CD2 4.3Å
199	L	82.3	Confident	75.4	Confident	4 Å²	4	61 Å²	61	2%	0.021	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	5.7	178.3	-62.7	178.1	0	0	0	113.4	F160 L195 N197 L201 F202 W207 L300 P301 L302	F160-L199 HydrophobicContact CE2-CD1 3.57Å; F160-L199 HydrophobicContact CZ-CD1 3.75Å; L195-L199 HydrophobicContact CD1-CD1 3.76Å; L195-L199 HydrophobicContact CD1-CG 4.14Å; L195-L199 HydrophobicContact CG-CD1 3.8Å; L195-L199 HydrophobicContact CG-CG 4.43Å; L195-L199 WeakPolarHBondContact O-CB 3.36Å; L195-L199 WeakPolarHBondContact O-CG 3.28Å; L195-L199 PolarHBondContact O-N 3.1Å; N197-L199 PolarHBondContact O-N 3.19Å; L199-L201 PolarHBondContact O-N 3.03Å; L199-F202 HydrophobicContact CB-CD2 4.37Å; L199-F202 HydrophobicContact CD2-CD2 4.08Å; L199-F202 HydrophobicContact CD2-CE2 3.97Å; L199-F202 PolarHBondContact O-N 3.04Å; L199-F202 VanDerWaalsContact O-N 3.08Å; L199-W207 HydrophobicContact CD1-CE3 4.35Å; L199-W207 HydrophobicContact CD1-CH2 3.84Å; L199-W207 HydrophobicContact CD1-CZ2 4.33Å; L199-W207 HydrophobicContact CD1-CZ3 3.85Å; L199-W207 HydrophobicContact CD2-CE3 4.49Å; L199-W207 HydrophobicContact CD2-CZ3 3.96Å; L199-L300 HydrophobicContact CD2-CD1 4.37Å; L199-P301 VanDerWaalsContact CD2-O 3.23Å; L199-P301 WeakPolarHBondContact CD2-O 3.46Å; L199-L302 HydrophobicContact CD2-CD2 4.37Å
200	S	75.2	Confident	77	Confident	59 Å²	59	58 Å²	58	41%	0.413	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-4.1	-173.3	79.4	0	0	0	0	115.4	T196 N197	T196-S200 WeakPolarHBondContact O-CB 3.29Å; T196-S200 PolarHBondContact O-N 3.46Å; T196-S200 VanDerWaalsContact O-N 3.14Å; N197-S200 WeakPolarHBondContact O-CB 2.95Å; N197-S200 PolarHBondContact O-N 2.82Å; N197-S200 PolarHBondContact O-OG 3.24Å
201	L	75.3	Confident	79	Confident	61 Å²	61	53.8 Å²	53.8	32%	0.319	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-9	-177.1	-64.1	165.5	0	0	0	112	L199 F279 F303	L199-L201 PolarHBondContact O-N 3.03Å; L201-F279 HydrophobicContact CB-CE1 4.44Å; L201-F279 HydrophobicContact CD1-CD1 3.99Å; L201-F279 HydrophobicContact CD1-CE1 3.22Å; L201-F279 HydrophobicContact CD1-CE2 3.9Å; L201-F279 HydrophobicContact CD1-CZ 3.07Å; L201-F279 HydrophobicContact CG-CE1 4.25Å; L201-F279 HydrophobicContact CG-CZ 4.38Å; L201-F303 HydrophobicContact CB-CD2 4.26Å; L201-F303 HydrophobicContact CB-CE2 4.38Å; L201-F303 HydrophobicContact CD1-CB 3.81Å; L201-F303 HydrophobicContact CD1-CD2 3.94Å; L201-F303 HydrophobicContact CD1-CG 4.06Å
202	F	77.6	Confident	80.6	Confident	14 Å²	14	49.1 Å²	49.1	6%	0.061	26%	0.256	C	S	.	.			trans	-100.8	130.6	173.4	-55.5	-59.7	0	0	0	109.3	L199 Q206 W207 I210 L290 P301 F303	L199-F202 HydrophobicContact CB-CD2 4.37Å; L199-F202 HydrophobicContact CD2-CD2 4.08Å; L199-F202 HydrophobicContact CD2-CE2 3.97Å; L199-F202 PolarHBondContact O-N 3.04Å; L199-F202 VanDerWaalsContact O-N 3.08Å; F202-Q206 HydrophobicContact CB-CB 4.31Å; F202-Q206 HydrophobicContact CD1-CB 4.26Å; F202-W207 HydrophobicContact CB-CB 4.16Å; F202-W207 HydrophobicContact CD2-CE3 4.39Å; F202-I210 HydrophobicContact CD1-CD1 3.56Å; F202-I210 HydrophobicContact CD2-CD1 3.97Å; F202-I210 HydrophobicContact CE1-CD1 3.19Å; F202-I210 HydrophobicContact CE2-CD1 3.62Å; F202-I210 HydrophobicContact CG-CD1 3.91Å; F202-I210 HydrophobicContact CZ-CD1 3.15Å; F202-L290 HydrophobicContact CE1-CD1 4.46Å; F202-L290 HydrophobicContact CE1-CD2 3.47Å; F202-L290 VanDerWaalsContact CE1-CD2 3.47Å; F202-L290 HydrophobicContact CZ-CD2 3.67Å; F202-P301 HydrophobicContact CE2-CG 3.9Å; F202-P301 HydrophobicContact CZ-CB 4.37Å; F202-P301 HydrophobicContact CZ-CG 3.77Å; F202-F303 HydrophobicContact CD2-CE2 4.3Å; F202-F303 AromaticContact CE1-CE2 3.81Å; F202-F303 HydrophobicContact CE1-CE2 3.81Å; F202-F303 HydrophobicContact CE1-CZ 4.33Å; F202-F303 AromaticContact CE2-CD2 3.86Å; F202-F303 HydrophobicContact CE2-CD2 3.86Å; F202-F303 AromaticContact CE2-CE2 3.35Å; F202-F303 HydrophobicContact CE2-CE2 3.35Å; F202-F303 HydrophobicContact CE2-CZ 4.31Å; F202-F303 HydrophobicContact CZ-CD2 4.06Å; F202-F303 AromaticContact CZ-CE2 3.09Å; F202-F303 HydrophobicContact CZ-CE2 3.09Å; F202-F303 AromaticContact CZ-CZ 3.69Å; F202-F303 HydrophobicContact CZ-CZ 3.69Å
203	N	78.5	Confident	82.1	Confident	77 Å²	77	45.8 Å²	45.8	41%	0.412	24%	0.24	S	C	.	.			trans	-76.9	174	159	66.6	12.5	0	0	0	109.9	S205 Q206 W207	N203-S205 PolarHBondContact O-N 3.49Å; N203-S205 PolarHBondContact OD1-N 2.78Å; N203-S205 PolarHBondContact OD1-OG 3.45Å; N203-S205 VanDerWaalsContact OD1-OG 3.08Å; N203-Q206 PolarHBondContact O-N 2.95Å; N203-Q206 WeakPolarHBondContact OD1-CB 3.06Å; N203-Q206 WeakPolarHBondContact OD1-CG 3.44Å; N203-Q206 PolarHBondContact OD1-N 3.09Å; N203-W207 WeakPolarHBondContact O-CB 3.21Å; N203-W207 PolarHBondContact O-N 3.05Å
204	E	76.9	Confident	82.9	Confident	98 Å²	98	44.7 Å²	44.7	46%	0.458	23%	0.234	S	C	.	.	H	α-helix	trans	-53.8	-49.5	179.7	-178.1	157.4	-158.2	0	0	113.9	F159 Q206 W207 L208	F159-E204 HydrophobicContact CE1-CB 3.88Å; F159-E204 HydrophobicContact CE1-CG 3.72Å; F159-E204 HydrophobicContact CZ-CB 3.53Å; F159-E204 HydrophobicContact CZ-CG 3.95Å; E204-Q206 VanDerWaalsContact C-N 3.32Å; E204-Q206 PolarHBondContact O-N 2.95Å; E204-W207 PolarHBondContact O-N 3.19Å; E204-L208 HydrophobicContact CG-CD1 3.9Å; E204-L208 HydrophobicContact CG-CG 4.36Å; E204-L208 WeakPolarHBondContact O-CB 2.97Å; E204-L208 VanDerWaalsContact O-CG 3.29Å; E204-L208 WeakPolarHBondContact O-CG 3.12Å; E204-L208 PolarHBondContact O-N 2.84Å
205	S	84.7	Confident	83.3	Confident	66 Å²	66	43.6 Å²	43.6	46%	0.462	23%	0.23	S	C	.	.	H	α-helix	trans	-65.1	-36.4	-177.1	62.3	0	0	0	0	112.5	N203 K209	N203-S205 PolarHBondContact O-N 3.49Å; N203-S205 PolarHBondContact OD1-N 2.78Å; N203-S205 PolarHBondContact OD1-OG 3.45Å; N203-S205 VanDerWaalsContact OD1-OG 3.08Å; S205-K209 VanDerWaalsContact O-CG 3.3Å; S205-K209 WeakPolarHBondContact O-CG 3.4Å; S205-K209 PolarHBondContact O-N 3.05Å
206	Q	84.8	Confident	83	Confident	91 Å²	91	47.4 Å²	47.4	43%	0.425	25%	0.248	S	C	.	.	H	α-helix	trans	-70	-45.4	174	-73.6	170.8	-13.3	0	0	111.6	F202 N203 E204 L208 K209 I210	F202-Q206 HydrophobicContact CB-CB 4.31Å; F202-Q206 HydrophobicContact CD1-CB 4.26Å; N203-Q206 PolarHBondContact O-N 2.95Å; N203-Q206 WeakPolarHBondContact OD1-CB 3.06Å; N203-Q206 WeakPolarHBondContact OD1-CG 3.44Å; N203-Q206 PolarHBondContact OD1-N 3.09Å; E204-Q206 VanDerWaalsContact C-N 3.32Å; E204-Q206 PolarHBondContact O-N 2.95Å; Q206-L208 PolarHBondContact O-N 3.31Å; Q206-K209 WeakPolarHBondContact O-CB 3.47Å; Q206-K209 PolarHBondContact O-N 3.18Å; Q206-K209 VanDerWaalsContact O-N 3.12Å; Q206-I210 WeakPolarHBondContact O-CG1 3.15Å; Q206-I210 PolarHBondContact O-N 3.27Å
207	W	86.4	Confident	82.6	Confident	13 Å²	13	55.8 Å²	55.8	5%	0.049	28%	0.278	C	S	.	.	H	α-helix	trans	-59.1	-47.6	178.4	172.7	-117.7	0	0	0	111.4	F159 F160 L199 F202 N203 E204 K209 I210 K211 L300 F321	F159-W207 AromaticContact CD1-CD1 3.62Å; F159-W207 AromaticContact CE1-CD1 3.91Å; F160-W207 AromaticContact CZ-CZ2 3.91Å; F160-W207 HydrophobicContact CZ-CZ2 3.91Å; L199-W207 HydrophobicContact CD1-CE3 4.35Å; L199-W207 HydrophobicContact CD1-CH2 3.84Å; L199-W207 HydrophobicContact CD1-CZ2 4.33Å; L199-W207 HydrophobicContact CD1-CZ3 3.85Å; L199-W207 HydrophobicContact CD2-CE3 4.49Å; L199-W207 HydrophobicContact CD2-CZ3 3.96Å; F202-W207 HydrophobicContact CB-CB 4.16Å; F202-W207 HydrophobicContact CD2-CE3 4.39Å; N203-W207 WeakPolarHBondContact O-CB 3.21Å; N203-W207 PolarHBondContact O-N 3.05Å; E204-W207 PolarHBondContact O-N 3.19Å; W207-K209 PolarHBondContact O-N 3.33Å; W207-I210 HydrophobicContact CE3-CG1 4.2Å; W207-I210 PolarHBondContact O-N 3.17Å; W207-K211 HydrophobicContact CD2-CB 4.05Å; W207-K211 HydrophobicContact CE3-CB 4.36Å; W207-K211 HydrophobicContact CH2-CB 4.05Å; W207-K211 HydrophobicContact CZ2-CB 3.72Å; W207-K211 HydrophobicContact CZ3-CB 4.36Å; W207-K211 VanDerWaalsContact O-CB 3.32Å; W207-K211 WeakPolarHBondContact O-CB 3.44Å; W207-K211 PolarHBondContact O-N 2.93Å; W207-L300 HydrophobicContact CH2-CD1 3.76Å; W207-L300 HydrophobicContact CZ3-CD1 4.09Å; W207-F321 AromaticContact CH2-CE2 3.93Å; W207-F321 HydrophobicContact CH2-CE2 3.93Å; W207-F321 HydrophobicContact CZ2-CE2 4Å
208	L	86.9	Confident	82.5	Confident	79 Å²	79	54.8 Å²	54.8	41%	0.414	28%	0.281	S	S	.	.	H	α-helix	trans	-58.3	-31.7	177.1	-70.4	174	0	0	0	112.9	E204 Q206 K211	E204-L208 HydrophobicContact CG-CD1 3.9Å; E204-L208 HydrophobicContact CG-CG 4.36Å; E204-L208 WeakPolarHBondContact O-CB 2.97Å; E204-L208 VanDerWaalsContact O-CG 3.29Å; E204-L208 WeakPolarHBondContact O-CG 3.12Å; E204-L208 PolarHBondContact O-N 2.84Å; Q206-L208 PolarHBondContact O-N 3.31Å; L208-K211 HydrophobicContact CD2-CD 4.14Å; L208-K211 VanDerWaalsContact CD2-NZ 3.28Å
209	K	90	Very high	82.6	Confident	120 Å²	120	59.9 Å²	59.9	52%	0.522	30%	0.303	S	S	.	.	H	α-helix	trans	-75.1	-26.9	176.8	-75.2	175.7	-178.1	-175	0	114	S205 Q206 W207 K297	S205-K209 VanDerWaalsContact O-CG 3.3Å; S205-K209 WeakPolarHBondContact O-CG 3.4Å; S205-K209 PolarHBondContact O-N 3.05Å; Q206-K209 WeakPolarHBondContact O-CB 3.47Å; Q206-K209 PolarHBondContact O-N 3.18Å; Q206-K209 VanDerWaalsContact O-N 3.12Å; W207-K209 PolarHBondContact O-N 3.33Å; K209-K297 PolarHBondContact O-NZ 2.98Å
210	I	89.4	Confident	82.8	Confident	7 Å²	7	59.7 Å²	59.7	4%	0.036	30%	0.302	C	S	.	.	H	α-helix	trans	-115.2	-11	-174	69.5	-179.5	0	0	0	113.9	F202 Q206 W207 L290 A293 Q294 P301	F202-I210 HydrophobicContact CD1-CD1 3.56Å; F202-I210 HydrophobicContact CD2-CD1 3.97Å; F202-I210 HydrophobicContact CE1-CD1 3.19Å; F202-I210 HydrophobicContact CE2-CD1 3.62Å; F202-I210 HydrophobicContact CG-CD1 3.91Å; F202-I210 HydrophobicContact CZ-CD1 3.15Å; Q206-I210 WeakPolarHBondContact O-CG1 3.15Å; Q206-I210 PolarHBondContact O-N 3.27Å; W207-I210 HydrophobicContact CE3-CG1 4.2Å; W207-I210 PolarHBondContact O-N 3.17Å; I210-L290 HydrophobicContact CD1-CD2 4Å; I210-A293 HydrophobicContact CB-CB 4.18Å; I210-Q294 HydrophobicContact CG2-CB 4.32Å; I210-P301 HydrophobicContact CD1-CG 4.16Å
211	K	89.3	Confident	83.3	Confident	57 Å²	57	58 Å²	58	25%	0.248	29%	0.288	C	S	.	.			trans	-55.8	138.4	-176.5	66.6	-179.3	-179.1	-177.9	0	110.7	W207 L208	W207-K211 HydrophobicContact CD2-CB 4.05Å; W207-K211 HydrophobicContact CE3-CB 4.36Å; W207-K211 HydrophobicContact CH2-CB 4.05Å; W207-K211 HydrophobicContact CZ2-CB 3.72Å; W207-K211 HydrophobicContact CZ3-CB 4.36Å; W207-K211 VanDerWaalsContact O-CB 3.32Å; W207-K211 WeakPolarHBondContact O-CB 3.44Å; W207-K211 PolarHBondContact O-N 2.93Å; L208-K211 HydrophobicContact CD2-CD 4.14Å; L208-K211 VanDerWaalsContact CD2-NZ 3.28Å
212	P	91.7	Very high	84	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.274	C	S	.	.			trans	-58.1	147.6	174.1	-23.5	31	0	0	0	112.7	I214 L269 K297 I299 L300 F321 Y325	P212-I214 HydrophobicContact CB-CG1 4.3Å; P212-L269 HydrophobicContact CB-CD1 3.73Å; P212-L269 HydrophobicContact CG-CD1 3.68Å; P212-K297 CarbonylContact C-O 3.55Å; P212-K297 WeakPolarHBondContact CA-O 3.32Å; P212-I299 WeakPolarHBondContact CG-O 3.36Å; P212-L300 HydrophobicContact CG-CB 4.25Å; P212-F321 HydrophobicContact CB-CZ 4.31Å; P212-F321 HydrophobicContact CG-CE1 4.32Å; P212-F321 HydrophobicContact CG-CZ 3.93Å; P212-Y325 PolarHBondContact O-OH 3.39Å
213	T	87.8	Confident	84.7	Confident	39 Å²	39	54.6 Å²	54.6	24%	0.239	27%	0.271	C	S	.	.			trans	-105.4	38.6	175.4	60.8	0	0	0	0	112.1	K297	T213-K297 HydrophobicContact CG2-CB 3.87Å; T213-K297 HydrophobicContact CG2-CD 4.21Å; T213-K297 HydrophobicContact CG2-CG 4.07Å; T213-K297 PolarHBondContact N-O 3.07Å; T213-K297 WeakPolarHBondContact OG1-CB 3.38Å
214	I	87.5	Confident	85.4	Confident	4 Å²	4	51 Å²	51	2%	0.021	25%	0.252	C	S	.	.			trans	-81.3	156	173	62.2	166.5	0	0	0	110.4	P212 Q216 L223 L269 F321 L322 Y325	P212-I214 HydrophobicContact CB-CG1 4.3Å; I214-Q216 PolarHBondContact O-N 2.93Å; I214-L223 HydrophobicContact CD1-CD1 4.25Å; I214-L223 HydrophobicContact CD1-CD2 4.05Å; I214-L269 HydrophobicContact CD1-CB 4.33Å; I214-L269 HydrophobicContact CD1-CD1 4.19Å; I214-L269 HydrophobicContact CD1-CD2 3.86Å; I214-L269 HydrophobicContact CD1-CG 4.35Å; I214-L269 HydrophobicContact CG2-CD1 4.42Å; I214-F321 HydrophobicContact CD1-CE1 4.05Å; I214-F321 HydrophobicContact CG1-CE1 4.49Å; I214-L322 HydrophobicContact CD1-CD2 3.65Å; I214-Y325 HydrophobicContact CG1-CD1 4.43Å; I214-Y325 WeakPolarHBondContact O-CE1 3.29Å
215	C	84.2	Confident	86.3	Confident	19 Å²	19	46.3 Å²	46.3	13%	0.128	23%	0.23	C	C	.	.	S	Bend	trans	64.2	17	172.9	-48.5	0	0	0	0	115.5	E267 C326 S329 I330	C215-E267 PolarHBondContact N-OE1 3.48Å; C215-E267 VanDerWaalsContact N-OE1 3.08Å; C215-E267 PolarHBondContact N-OE2 3.47Å; C215-C326 HydrophobicContact CB-CB 3.63Å; C215-C326 WeakPolarHBondContact CB-SG 3.01Å; C215-C326 WeakPolarHBondContact SG-CB 3.17Å; C215-C326 CovalentContact SG-SG 2.04Å; C215-C326 PolarHBondContact SG-SG 3.33Å; C215-S329 WeakPolarHBondContact CB-OG 3.34Å; C215-I330 VanDerWaalsContact SG-CD1 3.59Å
216	Q	78.3	Confident	86.7	Confident	80 Å²	80	43.2 Å²	43.2	37%	0.374	21%	0.208	S	C	.	.	S	Bend	trans	-88.6	-29.8	-173.1	-69.3	-173.8	-10	0	0	114.5	I214 Y325	I214-Q216 PolarHBondContact O-N 2.93Å; Q216-Y325 PolarHBondContact NE2-OH 3.08Å
217	Y	70.9	Confident	87	Confident	199 Å²	199	39.3 Å²	39.3	78%	0.78	19%	0.189	S	C	*	.	S	Bend	trans	-110.5	-69.9	-166.1	-56.5	-72.7	0	0	0	112.9
218	A	73.5	Confident	87.1	Confident	60 Å²	60	38.9 Å²	38.9	50%	0.496	19%	0.189	S	C	.	.	S	Bend	trans	-114.2	160.6	-177.5	0	0	0	0	0	110	T220	A218-T220 PolarHBondContact O-N 3.24Å
219	K	83.3	Confident	86.9	Confident	111 Å²	111	37.4 Å²	37.4	48%	0.483	18%	0.184	S	C	.	.			trans	-59.6	125.3	170.9	-168.3	-175.6	-178	-157.7	0	109.2	S265 S329 D331	K219-S265 WeakPolarHBondContact O-CB 3.48Å; K219-S329 CarbonylContact C-O 3.53Å; K219-S329 WeakPolarHBondContact CA-O 3.45Å; K219-S329 VanDerWaalsContact CG-O 3.26Å; K219-S329 WeakPolarHBondContact CG-O 3.46Å; K219-D331 VanDerWaalsContact CE-CG 3.43Å; K219-D331 WeakPolarHBondContact CE-OD1 3.37Å; K219-D331 VanDerWaalsContact CE-OD2 3.3Å; K219-D331 WeakPolarHBondContact CE-OD2 3.22Å; K219-D331 IonicContact NZ-OD1 2.63Å; K219-D331 PolarHBondContact NZ-OD1 2.67Å; K219-D331 IonicContact NZ-OD2 2.95Å; K219-D331 PolarHBondContact NZ-OD2 3.3Å
220	T	85.8	Confident	86.6	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	112.6	179.3	-60.3	0	0	0	0	109.3	A218 L222 L223 E267 S329 I330 D331	A218-T220 PolarHBondContact O-N 3.24Å; T220-L222 WeakPolarHBondContact CG2-O 3.3Å; T220-L223 HydrophobicContact CG2-CB 4.11Å; T220-E267 HydrophobicContact CG2-CB 3.84Å; T220-E267 HydrophobicContact CG2-CG 3.86Å; T220-E267 PolarHBondContact OG1-OE2 3.44Å; T220-S329 PolarHBondContact N-O 2.9Å; T220-I330 CarbonylContact O-C 3.58Å; T220-I330 VanDerWaalsContact O-CA 3.25Å; T220-I330 WeakPolarHBondContact O-CA 3.26Å; T220-D331 PolarHBondContact O-N 3.38Å
221	N	86.7	Confident	86.1	Confident	24 Å²	24	35.6 Å²	35.6	13%	0.128	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	-39.8	179.1	-61.4	88.4	0	0	0	111.1	N264 S265 D331 F332	N221-N264 HydrophobicContact CB-CB 4.33Å; N221-N264 VanDerWaalsContact CG-OD1 3.29Å; N221-N264 PolarHBondContact ND2-OD1 3.33Å; N221-N264 VanDerWaalsContact OD1-CA 3.26Å; N221-N264 WeakPolarHBondContact OD1-CA 3.33Å; N221-S265 PolarHBondContact N-O 3.16Å; N221-S265 PolarHBondContact OD1-N 2.88Å; N221-D331 WeakPolarHBondContact O-CB 3.49Å; N221-F332 PolarHBondContact O-N 3.42Å
222	L	89.4	Confident	85.9	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	115.7	179	177.5	62.2	0	0	0	110.2	T220 I224 S265 I266 E267 F332 L334 L347 T351 L419	T220-L222 WeakPolarHBondContact CG2-O 3.3Å; L222-I224 HydrophobicContact CD2-CD1 4.31Å; L222-I224 HydrophobicContact CD2-CG1 4.22Å; L222-I224 HydrophobicContact CG-CG1 4.03Å; L222-S265 PolarHBondContact N-O 3.43Å; L222-I266 HydrophobicContact CB-CG1 4.37Å; L222-I266 WeakPolarHBondContact O-CA 3.38Å; L222-E267 PolarHBondContact O-N 2.92Å; L222-E267 VanDerWaalsContact O-N 3.11Å; L222-F332 HydrophobicContact CD1-CB 3.87Å; L222-L334 HydrophobicContact CD1-CB 3.96Å; L222-L347 HydrophobicContact CD2-CB 4.28Å; L222-T351 HydrophobicContact CD1-CG2 4.38Å; L222-L419 HydrophobicContact CD1-CD1 3.74Å
223	L	92.8	Very high	85.6	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	120.6	168.3	178.6	66.4	0	0	0	109.4	I214 T220 I225 E267 L269 L322 I330 F332 V333 L334	I214-L223 HydrophobicContact CD1-CD1 4.25Å; I214-L223 HydrophobicContact CD1-CD2 4.05Å; T220-L223 HydrophobicContact CG2-CB 4.11Å; L223-I225 HydrophobicContact CD2-CD1 4.41Å; L223-I225 HydrophobicContact CD2-CG1 4.28Å; L223-I225 HydrophobicContact CG-CG1 4.26Å; L223-E267 HydrophobicContact CD1-CB 3.73Å; L223-L269 HydrophobicContact CD1-CB 4.28Å; L223-L322 HydrophobicContact CD2-CD1 3.71Å; L223-L322 HydrophobicContact CD2-CD2 3.47Å; L223-L322 VanDerWaalsContact CD2-CD2 3.47Å; L223-L322 HydrophobicContact CD2-CG 4.25Å; L223-I330 HydrophobicContact CB-CD1 4.31Å; L223-I330 HydrophobicContact CB-CG2 3.99Å; L223-I330 HydrophobicContact CD2-CD1 3.6Å; L223-F332 PolarHBondContact N-O 3.27Å; L223-V333 WeakPolarHBondContact O-CA 3.22Å; L223-L334 PolarHBondContact O-N 3.33Å
224	I	93.8	Very high	85.5	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	116.5	176.1	-53.6	-179.6	0	0	0	109.5	L222 W243 I266 E267 H268 L269 L334 I336 P342 L344	L222-I224 HydrophobicContact CD2-CD1 4.31Å; L222-I224 HydrophobicContact CD2-CG1 4.22Å; L222-I224 HydrophobicContact CG-CG1 4.03Å; I224-W243 HydrophobicContact CD1-CZ3 4.21Å; I224-W243 HydrophobicContact CG2-CH2 4.23Å; I224-W243 HydrophobicContact CG2-CZ3 3.94Å; I224-I266 HydrophobicContact CD1-CG2 4.07Å; I224-I266 HydrophobicContact CG1-CG2 4.31Å; I224-E267 PolarHBondContact N-O 2.72Å; I224-H268 WeakPolarHBondContact O-CA 3.27Å; I224-L269 PolarHBondContact O-N 2.98Å; I224-L334 HydrophobicContact CD1-CD2 4.47Å; I224-L334 HydrophobicContact CG1-CB 4.49Å; I224-L334 HydrophobicContact CG1-CD2 4.22Å; I224-L334 HydrophobicContact CG2-CD2 4.26Å; I224-I336 HydrophobicContact CG2-CD1 3.56Å; I224-I336 HydrophobicContact CG2-CG1 3.81Å; I224-P342 HydrophobicContact CD1-CG 4.25Å; I224-L344 HydrophobicContact CD1-CD2 3.55Å
225	I	95.2	Very high	85.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.9	175.7	-57.6	-173.2	0	0	0	109.6	L223 F227 L269 I271 A318 L322 V333 L334 F335 I336	L223-I225 HydrophobicContact CD2-CD1 4.41Å; L223-I225 HydrophobicContact CD2-CG1 4.28Å; L223-I225 HydrophobicContact CG-CG1 4.26Å; I225-F227 HydrophobicContact CG2-CE2 4.46Å; I225-F227 HydrophobicContact CG2-CZ 4.2Å; I225-L269 WeakPolarHBondContact CA-O 3.45Å; I225-I271 HydrophobicContact CG2-CD1 4.11Å; I225-I271 HydrophobicContact CG2-CG1 3.37Å; I225-A318 HydrophobicContact CD1-CB 4.42Å; I225-L322 HydrophobicContact CD1-CD1 3.54Å; I225-L322 HydrophobicContact CD1-CG 4.43Å; I225-V333 HydrophobicContact CD1-CG1 3.67Å; I225-V333 HydrophobicContact CG1-CG1 4.08Å; I225-L334 PolarHBondContact N-O 2.85Å; I225-F335 HydrophobicContact CB-CD1 3.97Å; I225-F335 HydrophobicContact CB-CE1 4.28Å; I225-F335 HydrophobicContact CD1-CD1 4.13Å; I225-F335 HydrophobicContact CD1-CE1 3.56Å; I225-F335 HydrophobicContact CD1-CZ 3.91Å; I225-F335 HydrophobicContact CG1-CE1 4.44Å; I225-F335 HydrophobicContact CG2-CD1 4.07Å; I225-F335 HydrophobicContact CG2-CE1 4.26Å; I225-I336 PolarHBondContact O-N 2.63Å
226	T	93.7	Very high	85.7	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.9	178.7	-58	0	0	0	0	111.7	I239 H268 L269 F270 I271 I336 H338	T226-I239 HydrophobicContact CG2-CD1 4.19Å; T226-H268 PolarHBondContact OG1-NE2 3.2Å; T226-L269 PolarHBondContact N-O 3.08Å; T226-F270 HydrophobicContact CG2-CD1 4.05Å; T226-F270 HydrophobicContact CG2-CE1 3.91Å; T226-F270 WeakPolarHBondContact O-CA 3.46Å; T226-I271 PolarHBondContact O-N 3.09Å; T226-I336 WeakPolarHBondContact CA-O 3.3Å; T226-H338 HydrophobicContact CG2-CB 3.77Å
227	F	90.1	Very high	86.1	Confident	9 Å²	9	44.5 Å²	44.5	4%	0.039	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	123.2	175.8	-60.5	-79.1	0	0	0	111.4	I225 I271 Y311 L314 H315 F335 I336 H338	I225-F227 HydrophobicContact CG2-CE2 4.46Å; I225-F227 HydrophobicContact CG2-CZ 4.2Å; F227-I271 HydrophobicContact CD1-CB 3.68Å; F227-I271 HydrophobicContact CD1-CG1 4.2Å; F227-I271 HydrophobicContact CD1-CG2 3.99Å; F227-I271 HydrophobicContact CE1-CB 3.83Å; F227-I271 HydrophobicContact CE1-CG1 3.91Å; F227-I271 HydrophobicContact CE1-CG2 4Å; F227-Y311 HydrophobicContact CB-CE2 4.14Å; F227-Y311 HydrophobicContact CD2-CE2 4.33Å; F227-Y311 WeakPolarHBondContact CD2-OH 3.32Å; F227-Y311 HydrophobicContact CG-CE2 4.12Å; F227-L314 HydrophobicContact CD1-CB 3.88Å; F227-L314 HydrophobicContact CD1-CD1 4.3Å; F227-L314 HydrophobicContact CE1-CB 3.67Å; F227-H315 AromaticContact CD2-CE1 3.76Å; F227-H315 AromaticContact CD2-NE2 3.94Å; F227-H315 AromaticContact CE1-CE1 3.98Å; F227-H315 AromaticContact CE1-ND1 3.97Å; F227-H315 AromaticContact CE2-CD2 3.68Å; F227-H315 AromaticContact CE2-CE1 3.17Å; F227-H315 WeakPolarHBondContact CE2-CE1 3.24Å; F227-H315 AromaticContact CE2-ND1 3.88Å; F227-H315 AromaticContact CE2-NE2 3.08Å; F227-H315 WeakPolarHBondContact CE2-NE2 3.42Å; F227-H315 HydrophobicContact CZ-CB 4.4Å; F227-H315 AromaticContact CZ-CD2 3.57Å; F227-H315 AromaticContact CZ-CE1 3.29Å; F227-H315 WeakPolarHBondContact CZ-CE1 3.38Å; F227-H315 AromaticContact CZ-CG 3.62Å; F227-H315 AromaticContact CZ-ND1 3.49Å; F227-H315 WeakPolarHBondContact CZ-ND1 3.3Å; F227-H315 AromaticContact CZ-NE2 3.42Å; F227-H315 WeakPolarHBondContact CZ-NE2 3.3Å; F227-F335 HydrophobicContact CE2-CB 4.26Å; F227-F335 AromaticContact CE2-CD1 3.74Å; F227-F335 HydrophobicContact CE2-CD1 3.74Å; F227-F335 HydrophobicContact CE2-CG 4.49Å; F227-F335 AromaticContact CZ-CD1 3.62Å; F227-F335 HydrophobicContact CZ-CD1 3.62Å; F227-F335 HydrophobicContact CZ-CE1 4.14Å; F227-I336 PolarHBondContact N-O 2.94Å; F227-H338 PolarHBondContact O-ND1 3.21Å
228	S	88.3	Confident	86.6	Confident	5 Å²	5	38.9 Å²	38.9	4%	0.035	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	141	-179.9	-177.6	0	0	0	0	110.3	R236 I271 V272 N273	S228-R236 PolarHBondContact OG-NH1 3.32Å; S228-I271 PolarHBondContact N-O 2.84Å; S228-I271 VanDerWaalsContact N-O 3.1Å; S228-V272 WeakPolarHBondContact O-CA 3.31Å; S228-N273 PolarHBondContact O-N 3.11Å
229	P	83	Confident	87.2	Confident	48 Å²	48	36.3 Å²	36.3	31%	0.312	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	158.4	169.1	32.4	-35	0	0	0	110.8	V231 D232 R236	P229-V231 HydrophobicContact CB-CG2 4.26Å; P229-V231 HydrophobicContact CG-CG2 4.23Å; P229-V231 PolarHBondContact O-N 3.35Å; P229-D232 WeakPolarHBondContact CD-OD2 3.48Å; P229-D232 HydrophobicContact CG-CB 3.82Å; P229-D232 WeakPolarHBondContact CG-OD2 3.42Å; P229-D232 PolarHBondContact O-N 3.3Å; P229-R236 PolarHBondContact O-NH1 3.04Å
230	I	83	Confident	87.2	Confident	9 Å²	9	32 Å²	32	5%	0.046	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-34.9	-179.9	-173.7	168.8	0	0	0	113.6	D232 V272 N273 A274 N285 V286 L289	I230-D232 VanDerWaalsContact C-N 3.33Å; I230-D232 PolarHBondContact O-N 2.86Å; I230-V272 HydrophobicContact CB-CG1 4.18Å; I230-N273 PolarHBondContact N-O 2.75Å; I230-A274 HydrophobicContact CB-CB 4.49Å; I230-A274 HydrophobicContact CD1-CB 3.9Å; I230-N285 HydrophobicContact CD1-CB 4.16Å; I230-N285 HydrophobicContact CG1-CB 4.22Å; I230-V286 HydrophobicContact CD1-CG2 3.73Å; I230-L289 HydrophobicContact CD1-CD2 4.13Å; I230-L289 HydrophobicContact CG1-CB 4.39Å; I230-L289 HydrophobicContact CG1-CD2 4.04Å
231	V	80.4	Confident	86.9	Confident	80 Å²	80	36.3 Å²	36.3	49%	0.485	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-16.8	-175.9	-64.7	0	0	0	0	114.4	P229 N233	P229-V231 HydrophobicContact CB-CG2 4.26Å; P229-V231 HydrophobicContact CG-CG2 4.23Å; P229-V231 PolarHBondContact O-N 3.35Å; V231-N233 PolarHBondContact O-N 3.43Å
232	D	83.7	Confident	86.2	Confident	47 Å²	47	35.3 Å²	35.3	25%	0.251	18%	0.177	S	C	.	.			trans	-94.5	49.3	-169	-76.1	-4.1	0	0	0	113.4	P229 I230 L234 T235 R236	P229-D232 WeakPolarHBondContact CD-OD2 3.48Å; P229-D232 HydrophobicContact CG-CB 3.82Å; P229-D232 WeakPolarHBondContact CG-OD2 3.42Å; P229-D232 PolarHBondContact O-N 3.3Å; I230-D232 VanDerWaalsContact C-N 3.33Å; I230-D232 PolarHBondContact O-N 2.86Å; D232-L234 VanDerWaalsContact C-N 3.28Å; D232-L234 PolarHBondContact O-N 3.2Å; D232-T235 PolarHBondContact O-N 3.23Å; D232-R236 PolarHBondContact O-N 3.06Å; D232-R236 PolarHBondContact O-NH1 2.96Å
233	N	86.5	Confident	85.5	Confident	71 Å²	71	35.5 Å²	35.5	38%	0.38	18%	0.178	S	C	.	.	H	α-helix	trans	-60.4	-38	175.3	64.8	-7.8	0	0	0	112.3	V231 T235 R236 Y237	V231-N233 PolarHBondContact O-N 3.43Å; N233-T235 VanDerWaalsContact C-N 3.32Å; N233-T235 PolarHBondContact O-N 2.87Å; N233-R236 PolarHBondContact O-N 3.35Å; N233-Y237 WeakPolarHBondContact O-CB 3.42Å; N233-Y237 PolarHBondContact O-N 2.81Å
234	L	86.1	Confident	84.8	Confident	122 Å²	122	36.2 Å²	36.2	64%	0.639	19%	0.186	S	C	*	.	H	α-helix	trans	-62.3	-38.9	177.5	-70.1	176.4	0	0	0	112.1	D232 K238	D232-L234 VanDerWaalsContact C-N 3.28Å; D232-L234 PolarHBondContact O-N 3.2Å; L234-K238 WeakPolarHBondContact O-CB 3.42Å; L234-K238 VanDerWaalsContact O-CG 3.3Å; L234-K238 WeakPolarHBondContact O-CG 3.35Å; L234-K238 PolarHBondContact O-N 3.1Å
235	T	85.1	Confident	83.5	Confident	19 Å²	19	39 Å²	39	12%	0.117	21%	0.205	C	C	.	.	H	α-helix	trans	-66.4	-46.6	176.9	-63.6	0	0	0	0	110.9	D232 N233 Y237 K238 I239 H338 V490	D232-T235 PolarHBondContact O-N 3.23Å; N233-T235 VanDerWaalsContact C-N 3.32Å; N233-T235 PolarHBondContact O-N 2.87Å; T235-Y237 VanDerWaalsContact C-N 3.33Å; T235-Y237 PolarHBondContact O-N 3.4Å; T235-K238 PolarHBondContact O-N 2.9Å; T235-I239 HydrophobicContact CG2-CD1 3.98Å; T235-I239 WeakPolarHBondContact O-CG1 3.05Å; T235-I239 PolarHBondContact O-N 3.45Å; T235-H338 HydrophobicContact CG2-CB 3.94Å; T235-V490 HydrophobicContact CG2-CG1 3.49Å; T235-V490 VanDerWaalsContact CG2-CG1 3.49Å
236	R	89.9	Confident	81.9	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-59.5	-46.2	176.2	-66.2	-169.9	-69	-83.4	6.4	111.3	S228 P229 D232 N233 K238 I239 R240 F270 E292	S228-R236 PolarHBondContact OG-NH1 3.32Å; P229-R236 PolarHBondContact O-NH1 3.04Å; D232-R236 PolarHBondContact O-N 3.06Å; D232-R236 PolarHBondContact O-NH1 2.96Å; N233-R236 PolarHBondContact O-N 3.35Å; R236-K238 PolarHBondContact O-N 3.26Å; R236-I239 WeakPolarHBondContact O-CB 3.12Å; R236-I239 PolarHBondContact O-N 2.9Å; R236-R240 WeakPolarHBondContact O-CG 3.26Å; R236-R240 PolarHBondContact O-N 3.19Å; R236-F270 HydrophobicContact CB-CD1 4.44Å; R236-F270 HydrophobicContact CB-CD2 4.49Å; R236-F270 HydrophobicContact CB-CE1 4.05Å; R236-F270 HydrophobicContact CB-CE2 4.09Å; R236-F270 HydrophobicContact CB-CZ 3.84Å; R236-F270 HydrophobicContact CG-CD1 3.69Å; R236-F270 HydrophobicContact CG-CD2 4.36Å; R236-F270 HydrophobicContact CG-CE1 3.65Å; R236-F270 HydrophobicContact CG-CE2 4.33Å; R236-F270 HydrophobicContact CG-CG 4.05Å; R236-F270 HydrophobicContact CG-CZ 3.97Å; R236-E292 IonicContact CZ-OE1 3.54Å; R236-E292 IonicContact CZ-OE2 3.49Å; R236-E292 IonicContact NE-OE1 3.45Å; R236-E292 PolarHBondContact NE-OE1 2.87Å; R236-E292 IonicContact NE-OE2 2.77Å; R236-E292 PolarHBondContact NE-OE2 3.45Å; R236-E292 IonicContact NH2-OE1 2.7Å; R236-E292 IonicContact NH2-OE2 3.36Å; R236-E292 PolarHBondContact NH2-OE2 3.02Å
237	Y	86.4	Confident	80	Confident	124 Å²	124	45.3 Å²	45.3	49%	0.486	23%	0.234	S	C	.	.	H	α-helix	trans	-57.8	-47.2	175.1	-178.8	-100.1	0	0	0	112.1	N233 T235 I239 R240 Q241	N233-Y237 WeakPolarHBondContact O-CB 3.42Å; N233-Y237 PolarHBondContact O-N 2.81Å; T235-Y237 VanDerWaalsContact C-N 3.33Å; T235-Y237 PolarHBondContact O-N 3.4Å; Y237-I239 VanDerWaalsContact C-N 3.33Å; Y237-I239 PolarHBondContact O-N 3.46Å; Y237-R240 PolarHBondContact O-N 3.22Å; Y237-Q241 HydrophobicContact CD1-CG 4.11Å; Y237-Q241 HydrophobicContact CD2-CG 4.42Å; Y237-Q241 HydrophobicContact CE1-CG 3.71Å; Y237-Q241 HydrophobicContact CE2-CG 4.05Å; Y237-Q241 HydrophobicContact CG-CG 4.45Å; Y237-Q241 VanDerWaalsContact O-CG 3.26Å; Y237-Q241 WeakPolarHBondContact O-CG 3.24Å; Y237-Q241 PolarHBondContact O-N 3.21Å
238	K	82.8	Confident	77.8	Confident	81 Å²	81	53.5 Å²	53.5	35%	0.352	27%	0.266	S	S	.	.	H	α-helix	trans	-58.9	-42.3	175.2	-76.6	177.3	-177.8	-176	0	112.3	L234 T235 R236 Q241 T242 V490	L234-K238 WeakPolarHBondContact O-CB 3.42Å; L234-K238 VanDerWaalsContact O-CG 3.3Å; L234-K238 WeakPolarHBondContact O-CG 3.35Å; L234-K238 PolarHBondContact O-N 3.1Å; T235-K238 PolarHBondContact O-N 2.9Å; R236-K238 PolarHBondContact O-N 3.26Å; K238-Q241 PolarHBondContact O-N 3.28Å; K238-T242 WeakPolarHBondContact O-CB 3.49Å; K238-T242 WeakPolarHBondContact O-CG2 3.5Å; K238-T242 PolarHBondContact O-N 3.41Å; K238-T242 PolarHBondContact O-OG1 3.4Å; K238-V490 PolarHBondContact NZ-O 2.89Å
239	I	85.4	Confident	75.7	Confident	6 Å²	6	55.3 Å²	55.3	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-61.4	-49.1	176.5	-72.3	166.8	0	0	0	110.1	T226 T235 R236 Y237 Q241 T242 W243 G244 F270 H338	T226-I239 HydrophobicContact CG2-CD1 4.19Å; T235-I239 HydrophobicContact CG2-CD1 3.98Å; T235-I239 WeakPolarHBondContact O-CG1 3.05Å; T235-I239 PolarHBondContact O-N 3.45Å; R236-I239 WeakPolarHBondContact O-CB 3.12Å; R236-I239 PolarHBondContact O-N 2.9Å; Y237-I239 VanDerWaalsContact C-N 3.33Å; Y237-I239 PolarHBondContact O-N 3.46Å; I239-Q241 VanDerWaalsContact C-N 3.28Å; I239-Q241 PolarHBondContact O-N 3.24Å; I239-T242 PolarHBondContact O-N 3.28Å; I239-T242 PolarHBondContact O-OG1 2.74Å; I239-T242 VanDerWaalsContact O-OG1 3.09Å; I239-W243 HydrophobicContact CB-CZ2 4.24Å; I239-W243 HydrophobicContact CD1-CZ2 4.04Å; I239-W243 HydrophobicContact CG1-CZ2 3.89Å; I239-W243 HydrophobicContact CG2-CD2 4.15Å; I239-W243 HydrophobicContact CG2-CE3 4.45Å; I239-W243 HydrophobicContact CG2-CH2 3.76Å; I239-W243 HydrophobicContact CG2-CZ2 3.4Å; I239-W243 HydrophobicContact CG2-CZ3 4.27Å; I239-W243 PolarHBondContact O-N 3.19Å; I239-G244 WeakPolarHBondContact O-CA 3.31Å; I239-G244 PolarHBondContact O-N 2.75Å; I239-F270 HydrophobicContact CB-CE1 4.42Å; I239-F270 HydrophobicContact CB-CZ 3.9Å; I239-F270 HydrophobicContact CD1-CE1 3.89Å; I239-F270 HydrophobicContact CD1-CZ 4.26Å; I239-F270 HydrophobicContact CG2-CE1 4.25Å; I239-F270 HydrophobicContact CG2-CZ 3.67Å; I239-H338 HydrophobicContact CD1-CB 4.21Å
240	R	84.1	Confident	73.8	Confident	21 Å²	21	54.8 Å²	54.8	8%	0.079	27%	0.269	C	S	.	.	H	α-helix	trans	-55.9	-41.8	175.9	-69.5	-175.5	-167.2	105.6	3.9	112.2	R236 Y237 T242 S245 F270 E292 E296 D298	R236-R240 WeakPolarHBondContact O-CG 3.26Å; R236-R240 PolarHBondContact O-N 3.19Å; Y237-R240 PolarHBondContact O-N 3.22Å; R240-T242 PolarHBondContact O-N 3.36Å; R240-S245 WeakPolarHBondContact O-CA 2.93Å; R240-S245 WeakPolarHBondContact O-CB 3.4Å; R240-S245 PolarHBondContact O-N 3.39Å; R240-S245 VanDerWaalsContact O-N 3.1Å; R240-S245 PolarHBondContact O-OG 3.22Å; R240-F270 HydrophobicContact CG-CE2 4.13Å; R240-E292 IonicContact CZ-OE1 3.31Å; R240-E292 VanDerWaalsContact CZ-OE1 3.31Å; R240-E292 IonicContact NH1-OE1 2.74Å; R240-E292 PolarHBondContact NH1-OE1 3.3Å; R240-E292 IonicContact NH2-OE1 3.86Å; R240-E292 PolarHBondContact NH2-OE1 2.99Å; R240-E296 WeakPolarHBondContact CD-OE2 3.48Å; R240-E296 IonicContact NE-OE2 3.63Å; R240-D298 IonicContact CZ-OD1 2.97Å; R240-D298 IonicContact CZ-OD2 3.2Å; R240-D298 IonicContact NE-OD1 3.34Å; R240-D298 PolarHBondContact NE-OD1 3.34Å; R240-D298 IonicContact NE-OD2 2.75Å; R240-D298 PolarHBondContact NE-OD2 2.88Å; R240-D298 IonicContact NH2-OD1 2.86Å; R240-D298 PolarHBondContact NH2-OD1 2.98Å; R240-D298 IonicContact NH2-OD2 3.78Å; R240-D298 PolarHBondContact NH2-OD2 3.12Å
241	Q	77.9	Confident	71.5	Confident	90 Å²	90	57.4 Å²	57.4	42%	0.421	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	0.2	-179.8	-66.6	-61.8	-43	0	0	114.7	Y237 K238 I239	Y237-Q241 HydrophobicContact CD1-CG 4.11Å; Y237-Q241 HydrophobicContact CD2-CG 4.42Å; Y237-Q241 HydrophobicContact CE1-CG 3.71Å; Y237-Q241 HydrophobicContact CE2-CG 4.05Å; Y237-Q241 HydrophobicContact CG-CG 4.45Å; Y237-Q241 VanDerWaalsContact O-CG 3.26Å; Y237-Q241 WeakPolarHBondContact O-CG 3.24Å; Y237-Q241 PolarHBondContact O-N 3.21Å; K238-Q241 PolarHBondContact O-N 3.28Å; I239-Q241 VanDerWaalsContact C-N 3.28Å; I239-Q241 PolarHBondContact O-N 3.24Å
242	T	72	Confident	69.4	Low	4 Å²	4	61.7 Å²	61.7	3%	0.025	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.9	-102.8	-172.1	58.6	0	0	0	0	111.2	K238 I239 R240 S245 W497	K238-T242 WeakPolarHBondContact O-CB 3.49Å; K238-T242 WeakPolarHBondContact O-CG2 3.5Å; K238-T242 PolarHBondContact O-N 3.41Å; K238-T242 PolarHBondContact O-OG1 3.4Å; I239-T242 PolarHBondContact O-N 3.28Å; I239-T242 PolarHBondContact O-OG1 2.74Å; I239-T242 VanDerWaalsContact O-OG1 3.09Å; R240-T242 PolarHBondContact O-N 3.36Å; T242-S245 PolarHBondContact O-OG 3.39Å; T242-W497 HydrophobicContact CG2-CB 3.27Å; T242-W497 HydrophobicContact CG2-CD2 4.17Å; T242-W497 HydrophobicContact CG2-CG 3.55Å
243	W	75.4	Confident	67.2	Low	5 Å²	5	63.6 Å²	63.6	2%	0.019	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-14.9	179.9	57.8	-82.3	0	0	0	113.4	I224 I239 V246 H268 I336 F341 P342 L344 F501	I224-W243 HydrophobicContact CD1-CZ3 4.21Å; I224-W243 HydrophobicContact CG2-CH2 4.23Å; I224-W243 HydrophobicContact CG2-CZ3 3.94Å; I239-W243 HydrophobicContact CB-CZ2 4.24Å; I239-W243 HydrophobicContact CD1-CZ2 4.04Å; I239-W243 HydrophobicContact CG1-CZ2 3.89Å; I239-W243 HydrophobicContact CG2-CD2 4.15Å; I239-W243 HydrophobicContact CG2-CE3 4.45Å; I239-W243 HydrophobicContact CG2-CH2 3.76Å; I239-W243 HydrophobicContact CG2-CZ2 3.4Å; I239-W243 HydrophobicContact CG2-CZ3 4.27Å; I239-W243 PolarHBondContact O-N 3.19Å; W243-V246 WeakPolarHBondContact O-CG2 3.5Å; W243-H268 AromaticContact CH2-CD2 3.79Å; W243-H268 AromaticContact CH2-NE2 3.56Å; W243-H268 AromaticContact CZ3-CD2 3.52Å; W243-H268 AromaticContact CZ3-NE2 3.81Å; W243-I336 HydrophobicContact CH2-CD1 3.75Å; W243-I336 HydrophobicContact CZ2-CD1 4.34Å; W243-I336 HydrophobicContact CZ3-CD1 4.37Å; W243-F341 HydrophobicContact CB-CD2 4.02Å; W243-F341 HydrophobicContact CB-CE2 3.44Å; W243-F341 VanDerWaalsContact CB-CE2 3.44Å; W243-F341 HydrophobicContact CB-CZ 4.19Å; W243-F341 AromaticContact CD1-CD2 3.11Å; W243-F341 AromaticContact CD1-CE2 3.28Å; W243-F341 HydrophobicContact CD2-CD2 4.44Å; W243-F341 AromaticContact CG-CD2 3.58Å; W243-F341 HydrophobicContact CG-CD2 3.58Å; W243-F341 AromaticContact CG-CE2 3.52Å; W243-F341 HydrophobicContact CG-CE2 3.52Å; W243-F341 AromaticContact NE1-CD2 3.65Å; W243-P342 HydrophobicContact CD2-CG 3.79Å; W243-P342 HydrophobicContact CE3-CG 3.45Å; W243-P342 VanDerWaalsContact CE3-CG 3.45Å; W243-P342 HydrophobicContact CH2-CG 4.09Å; W243-P342 HydrophobicContact CZ2-CG 4.38Å; W243-P342 HydrophobicContact CZ3-CG 3.62Å; W243-L344 HydrophobicContact CB-CD1 4.19Å; W243-L344 WeakPolarHBondContact O-CD1 3.26Å; W243-F501 HydrophobicContact CB-CD2 4.42Å; W243-F501 HydrophobicContact CB-CE2 4.46Å
244	G	77.3	Confident	64.7	Low	16 Å²	16	64.7 Å²	64.7	17%	0.165	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-22.4	176	0	0	0	0	0	113.6	I239 V246	I239-G244 WeakPolarHBondContact O-CA 3.31Å; I239-G244 PolarHBondContact O-N 2.75Å; G244-V246 PolarHBondContact O-N 2.96Å
245	S	67.6	Low	62.5	Low	59 Å²	59	65.3 Å²	65.3	41%	0.413	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	2.4	-179.4	43.8	0	0	0	0	114.8	R240 T242 K247	R240-S245 WeakPolarHBondContact O-CA 2.93Å; R240-S245 WeakPolarHBondContact O-CB 3.4Å; R240-S245 PolarHBondContact O-N 3.39Å; R240-S245 VanDerWaalsContact O-N 3.1Å; R240-S245 PolarHBondContact O-OG 3.22Å; T242-S245 PolarHBondContact O-OG 3.39Å; S245-K247 PolarHBondContact O-N 3.45Å
246	V	60.2	Low	60.2	Low	17 Å²	17	70.2 Å²	70.2	10%	0.103	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	23.7	-166.2	-172.7	0	0	0	0	113.3	W243 G244 Y248 I249 L344 F501	W243-V246 WeakPolarHBondContact O-CG2 3.5Å; G244-V246 PolarHBondContact O-N 2.96Å; V246-Y248 PolarHBondContact O-N 3.35Å; V246-I249 HydrophobicContact CG1-CB 4.15Å; V246-I249 HydrophobicContact CG1-CD1 4.36Å; V246-I249 HydrophobicContact CG1-CG1 4.43Å; V246-I249 HydrophobicContact CG2-CD1 4.16Å; V246-L344 HydrophobicContact CB-CD1 3.83Å; V246-L344 HydrophobicContact CG1-CD1 3.95Å; V246-L344 HydrophobicContact CG2-CD1 3.66Å; V246-F501 HydrophobicContact CB-CZ 4.46Å; V246-F501 HydrophobicContact CG1-CZ 4.4Å; V246-F501 HydrophobicContact CG2-CE1 4.11Å; V246-F501 HydrophobicContact CG2-CE2 3.62Å; V246-F501 HydrophobicContact CG2-CZ 3.19Å
247	K	55.4	Low	57.8	Low	116 Å²	116	79.9 Å²	79.9	50%	0.504	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-15.9	170.7	-68.9	-174.3	178.3	179.8	0	113	S245	S245-K247 PolarHBondContact O-N 3.45Å
248	Y	43.3	Very low	55.6	Low	181 Å²	181	82.2 Å²	82.2	71%	0.71	42%	0.418	S	S	*	.	S	Bend	trans	-128.6	-4.7	-167.6	-67.2	-79	0	0	0	117.6	V246 S251	V246-Y248 PolarHBondContact O-N 3.35Å; Y248-S251 PolarHBondContact O-OG 2.85Å
249	I	44	Very low	53.5	Low	43 Å²	43	87.6 Å²	87.6	22%	0.221	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-85.2	-18.4	-164.4	-60.3	178.7	0	0	0	113.8	V246 S251 E252 F501 L505	V246-I249 HydrophobicContact CG1-CB 4.15Å; V246-I249 HydrophobicContact CG1-CD1 4.36Å; V246-I249 HydrophobicContact CG1-CG1 4.43Å; V246-I249 HydrophobicContact CG2-CD1 4.16Å; I249-S251 PolarHBondContact O-N 2.96Å; I249-E252 PolarHBondContact O-N 3.27Å; I249-F501 HydrophobicContact CD1-CE1 3.44Å; I249-F501 VanDerWaalsContact CD1-CE1 3.44Å; I249-F501 HydrophobicContact CD1-CZ 3.64Å; I249-L505 HydrophobicContact CD1-CD1 3.91Å; I249-L505 HydrophobicContact CG2-CD1 3.78Å; I249-L505 HydrophobicContact CG2-CD2 3.96Å
250	L	43.3	Very low	51.2	Low	38 Å²	38	92.1 Å²	92.1	20%	0.199	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-75.6	-5.6	177.5	-73.3	167.4	0	0	0	114.1	F260 L263 N264 I348	L250-F260 HydrophobicContact CD2-CE1 4.26Å; L250-F260 HydrophobicContact CD2-CZ 3.9Å; L250-L263 HydrophobicContact CB-CD2 4.46Å; L250-N264 HydrophobicContact CD1-CB 3.83Å; L250-N264 VanDerWaalsContact CD1-O 3.31Å; L250-N264 WeakPolarHBondContact CD1-O 3.01Å; L250-I348 HydrophobicContact CD1-CD1 4.31Å
251	S	35.5	Very low	48.9	Very low	64 Å²	64	100 Å²	100	45%	0.448	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-83.3	-24.7	173.5	57.6	0	0	0	0	113.8	Y248 I249 T254	Y248-S251 PolarHBondContact O-OG 2.85Å; I249-S251 PolarHBondContact O-N 2.96Å; S251-T254 VanDerWaalsContact O-CG2 3.28Å; S251-T254 WeakPolarHBondContact O-CG2 3.45Å; S251-T254 PolarHBondContact O-OG1 2.83Å
252	E	34.8	Very low	47.2	Very low	169 Å²	169	97.7 Å²	97.7	79%	0.79	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-15.6	-170.9	-72.8	-176.5	167.3	0	0	114.7	I249 T254	I249-E252 PolarHBondContact O-N 3.27Å; E252-T254 PolarHBondContact O-N 3.18Å
253	T	39.3	Very low	46.1	Very low	87 Å²	87	103.4 Å²	103.4	53%	0.534	53%	0.531	S	S	.	.			trans	-87.2	22.9	175.6	51	0	0	0	0	113.6	T255	T253-T255 VanDerWaalsContact C-N 3.28Å; T253-T255 PolarHBondContact O-N 3.04Å; T253-T255 VanDerWaalsContact O-N 3.11Å
254	T	33.2	Very low	45.5	Very low	94 Å²	94	104 Å²	104	58%	0.577	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	29.4	-169	42.1	0	0	0	0	115.3	S251 E252	S251-T254 VanDerWaalsContact O-CG2 3.28Å; S251-T254 WeakPolarHBondContact O-CG2 3.45Å; S251-T254 PolarHBondContact O-OG1 2.83Å; E252-T254 PolarHBondContact O-N 3.18Å
255	T	38.7	Very low	45.4	Very low	135 Å²	135	104.9 Å²	104.9	83%	0.828	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-16.3	167.2	44.1	0	0	0	0	113.3	T253	T253-T255 VanDerWaalsContact C-N 3.28Å; T253-T255 PolarHBondContact O-N 3.04Å; T253-T255 VanDerWaalsContact O-N 3.11Å
256	N	36.9	Very low	46.1	Very low	123 Å²	123	102.9 Å²	102.9	66%	0.658	52%	0.522	S	S	*	.			trans	-105	87.2	173.9	-88.1	-18	0	0	0	111.9	Q258	N256-Q258 PolarHBondContact O-N 3.34Å
257	K	40.4	Very low	47.4	Very low	205 Å²	205	103 Å²	103	89%	0.891	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-4.9	176.1	-74.2	-179.4	174.9	177.6	0	115.4
258	Q	40.1	Very low	49.1	Very low	172 Å²	172	98 Å²	98	80%	0.804	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-3.4	-168.5	-74.9	-177.7	-21.5	0	0	115.8	N256	N256-Q258 PolarHBondContact O-N 3.34Å
259	Y	38.3	Very low	51.5	Low	194 Å²	194	89.4 Å²	89.4	76%	0.761	47%	0.466	S	S	*	.	S	Bend	trans	-122.8	4.6	-171.3	-81.2	-74.2	0	0	0	118
260	F	36.6	Very low	53.9	Low	102 Å²	102	87.3 Å²	87.3	45%	0.447	46%	0.456	S	S	.	.			trans	-136.6	92.3	-179.1	-81.2	-94.7	0	0	0	113.4	L250 G262 N264	L250-F260 HydrophobicContact CD2-CE1 4.26Å; L250-F260 HydrophobicContact CD2-CZ 3.9Å; F260-G262 WeakPolarHBondContact CD1-O 3.34Å; F260-G262 PolarHBondContact O-N 3.36Å; F260-G262 VanDerWaalsContact O-N 3.08Å; F260-N264 HydrophobicContact CE1-CB 4.39Å; F260-N264 VanDerWaalsContact CE1-ND2 3.26Å; F260-N264 WeakPolarHBondContact CE1-ND2 3.13Å
261	N	36.8	Very low	56.3	Low	185 Å²	185	85.5 Å²	85.5	99%	0.989	45%	0.446	S	S	*	.	S	Bend	trans	-72.5	84.9	150.2	-82.1	-11.7	0	0	0	108
262	G	42.1	Very low	58.9	Low	42 Å²	42	82.5 Å²	82.5	43%	0.433	43%	0.425	S	S	.	.	S	Bend	trans	104.4	126.2	173.2	0	0	0	0	0	114.1	F260 N264	F260-G262 WeakPolarHBondContact CD1-O 3.34Å; F260-G262 PolarHBondContact O-N 3.36Å; F260-G262 VanDerWaalsContact O-N 3.08Å; G262-N264 PolarHBondContact O-N 3.24Å
263	L	49.2	Very low	61.2	Low	124 Å²	124	75.8 Å²	75.8	65%	0.649	40%	0.395	S	S	*	.			trans	-55.8	118.4	168.7	-75.5	158.9	0	0	0	108.9	L250 S265	L250-L263 HydrophobicContact CB-CD2 4.46Å; L263-S265 PolarHBondContact O-N 2.9Å; L263-S265 VanDerWaalsContact O-N 3.16Å
264	N	62.1	Low	63	Low	19 Å²	19	71.6 Å²	71.6	10%	0.102	37%	0.369	C	S	.	.			trans	-72.7	109.9	175.2	-76.7	-35.7	0	0	0	109.6	N221 L250 F260 G262 I266 I348 N352	N221-N264 HydrophobicContact CB-CB 4.33Å; N221-N264 VanDerWaalsContact CG-OD1 3.29Å; N221-N264 PolarHBondContact ND2-OD1 3.33Å; N221-N264 VanDerWaalsContact OD1-CA 3.26Å; N221-N264 WeakPolarHBondContact OD1-CA 3.33Å; L250-N264 HydrophobicContact CD1-CB 3.83Å; L250-N264 VanDerWaalsContact CD1-O 3.31Å; L250-N264 WeakPolarHBondContact CD1-O 3.01Å; F260-N264 HydrophobicContact CE1-CB 4.39Å; F260-N264 VanDerWaalsContact CE1-ND2 3.26Å; F260-N264 WeakPolarHBondContact CE1-ND2 3.13Å; G262-N264 PolarHBondContact O-N 3.24Å; N264-I266 PolarHBondContact O-N 3.38Å; N264-I348 VanDerWaalsContact ND2-CG2 3.31Å; N264-I348 WeakPolarHBondContact ND2-CG2 3.49Å; N264-N352 PolarHBondContact ND2-ND2 3.03Å; N264-N352 PolarHBondContact ND2-OD1 3.09Å
265	S	74.7	Confident	64.7	Low	33 Å²	33	67.9 Å²	67.9	23%	0.231	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	117.9	173.8	179.2	0	0	0	0	109.3	K219 N221 L222 L263	K219-S265 WeakPolarHBondContact O-CB 3.48Å; N221-S265 PolarHBondContact N-O 3.16Å; N221-S265 PolarHBondContact OD1-N 2.88Å; L222-S265 PolarHBondContact N-O 3.43Å; L263-S265 PolarHBondContact O-N 2.9Å; L263-S265 VanDerWaalsContact O-N 3.16Å
266	I	82.5	Confident	65.6	Low	18 Å²	18	67 Å²	67	9%	0.092	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.3	171.3	-57.3	174.8	0	0	0	108.2	L222 I224 N264 I348	L222-I266 HydrophobicContact CB-CG1 4.37Å; L222-I266 WeakPolarHBondContact O-CA 3.38Å; I224-I266 HydrophobicContact CD1-CG2 4.07Å; I224-I266 HydrophobicContact CG1-CG2 4.31Å; N264-I266 PolarHBondContact O-N 3.38Å; I266-I348 HydrophobicContact CD1-CD1 3.5Å; I266-I348 VanDerWaalsContact CD1-CD1 3.5Å; I266-I348 HydrophobicContact CD1-CG1 3.65Å
267	E	88.2	Confident	66.5	Low	18 Å²	18	72.3 Å²	72.3	8%	0.084	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	159.2	173	-66.1	-176.4	141.7	0	0	110.5	C215 T220 L222 L223 I224	C215-E267 PolarHBondContact N-OE1 3.48Å; C215-E267 VanDerWaalsContact N-OE1 3.08Å; C215-E267 PolarHBondContact N-OE2 3.47Å; T220-E267 HydrophobicContact CG2-CB 3.84Å; T220-E267 HydrophobicContact CG2-CG 3.86Å; T220-E267 PolarHBondContact OG1-OE2 3.44Å; L222-E267 PolarHBondContact O-N 2.92Å; L222-E267 VanDerWaalsContact O-N 3.11Å; L223-E267 HydrophobicContact CD1-CB 3.73Å; I224-E267 PolarHBondContact N-O 2.72Å
268	H	90.5	Very high	67.2	Low	12 Å²	12	66 Å²	66	6%	0.056	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	138.2	-179.7	-175.2	-82.4	0	0	0	109.7	I224 T226 W243 F270	I224-H268 WeakPolarHBondContact O-CA 3.27Å; T226-H268 PolarHBondContact OG1-NE2 3.2Å; W243-H268 AromaticContact CH2-CD2 3.79Å; W243-H268 AromaticContact CH2-NE2 3.56Å; W243-H268 AromaticContact CZ3-CD2 3.52Å; W243-H268 AromaticContact CZ3-NE2 3.81Å; H268-F270 AromaticContact CE1-CD1 3.62Å; H268-F270 AromaticContact CE1-CD2 3.55Å; H268-F270 AromaticContact CE1-CE1 3.35Å; H268-F270 WeakPolarHBondContact CE1-CE1 3.17Å; H268-F270 AromaticContact CE1-CE2 3.28Å; H268-F270 WeakPolarHBondContact CE1-CE2 3.39Å; H268-F270 AromaticContact CE1-CG 3.71Å; H268-F270 AromaticContact CE1-CZ 3.19Å; H268-F270 WeakPolarHBondContact CE1-CZ 3.33Å; H268-F270 AromaticContact ND1-CD2 3.7Å; H268-F270 AromaticContact ND1-CE2 3.48Å; H268-F270 WeakPolarHBondContact ND1-CE2 3.46Å; H268-F270 AromaticContact ND1-CZ 3.83Å
269	L	94.1	Very high	67.9	Low	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	124.2	176.1	-178.9	72.5	0	0	0	110.2	P212 I214 L223 I224 I225 T226 I271 L300 F321 L322	P212-L269 HydrophobicContact CB-CD1 3.73Å; P212-L269 HydrophobicContact CG-CD1 3.68Å; I214-L269 HydrophobicContact CD1-CB 4.33Å; I214-L269 HydrophobicContact CD1-CD1 4.19Å; I214-L269 HydrophobicContact CD1-CD2 3.86Å; I214-L269 HydrophobicContact CD1-CG 4.35Å; I214-L269 HydrophobicContact CG2-CD1 4.42Å; L223-L269 HydrophobicContact CD1-CB 4.28Å; I224-L269 PolarHBondContact O-N 2.98Å; I225-L269 WeakPolarHBondContact CA-O 3.45Å; T226-L269 PolarHBondContact N-O 3.08Å; L269-I271 HydrophobicContact CD2-CD1 3.64Å; L269-I271 HydrophobicContact CG-CD1 4.05Å; L269-L300 HydrophobicContact CD1-CB 4.32Å; L269-F321 HydrophobicContact CD2-CD1 4.3Å; L269-F321 HydrophobicContact CD2-CE1 4.19Å; L269-L322 HydrophobicContact CD2-CD2 4.43Å
270	F	94.7	Very high	68.8	Low	0 Å²	0	59 Å²	59	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128.9	167.4	-69.1	-75.1	0	0	0	111.1	T226 R236 I239 R240 H268 V272 D298 I299 L300	T226-F270 HydrophobicContact CG2-CD1 4.05Å; T226-F270 HydrophobicContact CG2-CE1 3.91Å; T226-F270 WeakPolarHBondContact O-CA 3.46Å; R236-F270 HydrophobicContact CB-CD1 4.44Å; R236-F270 HydrophobicContact CB-CD2 4.49Å; R236-F270 HydrophobicContact CB-CE1 4.05Å; R236-F270 HydrophobicContact CB-CE2 4.09Å; R236-F270 HydrophobicContact CB-CZ 3.84Å; R236-F270 HydrophobicContact CG-CD1 3.69Å; R236-F270 HydrophobicContact CG-CD2 4.36Å; R236-F270 HydrophobicContact CG-CE1 3.65Å; R236-F270 HydrophobicContact CG-CE2 4.33Å; R236-F270 HydrophobicContact CG-CG 4.05Å; R236-F270 HydrophobicContact CG-CZ 3.97Å; I239-F270 HydrophobicContact CB-CE1 4.42Å; I239-F270 HydrophobicContact CB-CZ 3.9Å; I239-F270 HydrophobicContact CD1-CE1 3.89Å; I239-F270 HydrophobicContact CD1-CZ 4.26Å; I239-F270 HydrophobicContact CG2-CE1 4.25Å; I239-F270 HydrophobicContact CG2-CZ 3.67Å; R240-F270 HydrophobicContact CG-CE2 4.13Å; H268-F270 AromaticContact CE1-CD1 3.62Å; H268-F270 AromaticContact CE1-CD2 3.55Å; H268-F270 AromaticContact CE1-CE1 3.35Å; H268-F270 WeakPolarHBondContact CE1-CE1 3.17Å; H268-F270 AromaticContact CE1-CE2 3.28Å; H268-F270 WeakPolarHBondContact CE1-CE2 3.39Å; H268-F270 AromaticContact CE1-CG 3.71Å; H268-F270 AromaticContact CE1-CZ 3.19Å; H268-F270 WeakPolarHBondContact CE1-CZ 3.33Å; H268-F270 AromaticContact ND1-CD2 3.7Å; H268-F270 AromaticContact ND1-CE2 3.48Å; H268-F270 WeakPolarHBondContact ND1-CE2 3.46Å; H268-F270 AromaticContact ND1-CZ 3.83Å; F270-V272 HydrophobicContact CB-CG2 4.28Å; F270-D298 PolarHBondContact N-O 3.36Å; F270-I299 HydrophobicContact CB-CG1 4.36Å; F270-I299 WeakPolarHBondContact O-CA 3.23Å; F270-L300 PolarHBondContact O-N 3.15Å
271	I	94.2	Very high	69.5	Low	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	111.1	166.6	-52.2	-59.1	0	0	0	107.4	I225 T226 F227 S228 L269 L300 L302 L314 A318	I225-I271 HydrophobicContact CG2-CD1 4.11Å; I225-I271 HydrophobicContact CG2-CG1 3.37Å; T226-I271 PolarHBondContact O-N 3.09Å; F227-I271 HydrophobicContact CD1-CB 3.68Å; F227-I271 HydrophobicContact CD1-CG1 4.2Å; F227-I271 HydrophobicContact CD1-CG2 3.99Å; F227-I271 HydrophobicContact CE1-CB 3.83Å; F227-I271 HydrophobicContact CE1-CG1 3.91Å; F227-I271 HydrophobicContact CE1-CG2 4Å; S228-I271 PolarHBondContact N-O 2.84Å; S228-I271 VanDerWaalsContact N-O 3.1Å; L269-I271 HydrophobicContact CD2-CD1 3.64Å; L269-I271 HydrophobicContact CG-CD1 4.05Å; I271-L300 HydrophobicContact CD1-CB 3.83Å; I271-L300 HydrophobicContact CD1-CD2 3.88Å; I271-L300 HydrophobicContact CD1-CG 4.4Å; I271-L302 HydrophobicContact CG2-CD1 3.54Å; I271-L302 HydrophobicContact CG2-CG 4.18Å; I271-L314 HydrophobicContact CG2-CB 4.31Å; I271-L314 HydrophobicContact CG2-CD2 4.2Å; I271-A318 HydrophobicContact CD1-CB 3.7Å; I271-A318 HydrophobicContact CG1-CB 3.9Å
272	V	90.7	Very high	70.2	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	113.3	-177.1	-179.4	0	0	0	0	110	S228 I230 F270 A274 L289 I299 L300 L302	S228-V272 WeakPolarHBondContact O-CA 3.31Å; I230-V272 HydrophobicContact CB-CG1 4.18Å; F270-V272 HydrophobicContact CB-CG2 4.28Å; V272-A274 PolarHBondContact O-N 2.95Å; V272-L289 HydrophobicContact CB-CD1 4.01Å; V272-L289 HydrophobicContact CB-CD2 4.26Å; V272-L289 HydrophobicContact CG1-CD1 3.71Å; V272-L289 HydrophobicContact CG1-CD2 3.65Å; V272-L289 HydrophobicContact CG1-CG 4.34Å; V272-L289 HydrophobicContact CG2-CD1 4Å; V272-I299 HydrophobicContact CB-CG2 4.11Å; V272-I299 HydrophobicContact CG2-CG2 3.63Å; V272-L300 PolarHBondContact N-O 3.05Å; V272-L302 PolarHBondContact O-N 2.89Å
273	N	83	Confident	71.6	Confident	28 Å²	28	58.1 Å²	58.1	15%	0.15	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	118.9	175.8	-177.4	16.5	0	0	0	110.2	S228 I230 H309 L314	S228-N273 PolarHBondContact O-N 3.11Å; I230-N273 PolarHBondContact N-O 2.75Å; N273-H309 PolarHBondContact ND2-CE1 2.95Å; N273-H309 VanDerWaalsContact ND2-CE1 3.27Å; N273-H309 PolarHBondContact ND2-NE2 3.2Å; N273-L314 HydrophobicContact CB-CD1 3.8Å; N273-L314 HydrophobicContact CB-CD2 3.78Å; N273-L314 HydrophobicContact CB-CG 4.43Å
274	A	75.4	Confident	73	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	106.2	176.9	0	0	0	0	0	109.9	I230 V272 L289 L302 F303 L304	I230-A274 HydrophobicContact CB-CB 4.49Å; I230-A274 HydrophobicContact CD1-CB 3.9Å; V272-A274 PolarHBondContact O-N 2.95Å; A274-L289 HydrophobicContact CB-CD2 4.44Å; A274-L302 PolarHBondContact N-O 3.35Å; A274-F303 HydrophobicContact CB-CD1 3.26Å; A274-F303 HydrophobicContact CB-CE1 3.34Å; A274-F303 WeakPolarHBondContact O-CA 2.95Å; A274-L304 PolarHBondContact O-N 3.27Å
275	S	68.8	Low	73.8	Confident	15 Å²	15	59.4 Å²	59.4	11%	0.105	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	147.2	-178.7	86.5	0	0	0	0	112.3	R277 H278 F279 H309	S275-R277 PolarHBondContact O-N 3.1Å; S275-R277 PolarHBondContact OG-N 2.84Å; S275-H278 PolarHBondContact O-N 3.49Å; S275-H278 PolarHBondContact OG-CD2 2.91Å; S275-H278 PolarHBondContact OG-NE2 2.91Å; S275-F279 VanDerWaalsContact O-CD2 3.31Å; S275-F279 WeakPolarHBondContact O-CD2 3.44Å; S275-H309 VanDerWaalsContact CB-CD2 3.4Å; S275-H309 WeakPolarHBondContact CB-CD2 3.34Å; S275-H309 WeakPolarHBondContact CB-NE2 3.33Å
276	K	57.7	Low	74	Confident	116 Å²	116	58.2 Å²	58.2	50%	0.504	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-51	-15.3	167.7	-101.2	-170.6	-168.9	171.6	0	115.4	H278 F279 L304 T305	K276-H278 VanDerWaalsContact C-N 3.33Å; K276-F279 VanDerWaalsContact CA-CD2 3.43Å; K276-F279 HydrophobicContact CB-CD2 4.4Å; K276-F279 HydrophobicContact CG-CD2 4.09Å; K276-F279 HydrophobicContact CG-CG 4.42Å; K276-F279 WeakPolarHBondContact O-CB 3.47Å; K276-F279 PolarHBondContact O-N 3.01Å; K276-L304 PolarHBondContact N-O 2.91Å; K276-T305 HydrophobicContact CB-CG2 4.35Å; K276-T305 HydrophobicContact CD-CG2 3.3Å; K276-T305 HydrophobicContact CG-CG2 3.72Å
277	R	56.5	Low	74.1	Confident	236 Å²	236	62 Å²	62	89%	0.891	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-76	-22.6	173.5	-66.2	-176.9	179.4	168.2	1.5	112.9	S275 F279	S275-R277 PolarHBondContact O-N 3.1Å; S275-R277 PolarHBondContact OG-N 2.84Å; R277-F279 VanDerWaalsContact C-N 3.25Å
278	H	56.2	Low	74.1	Confident	72 Å²	72	67 Å²	67	33%	0.333	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-84.1	-0.4	172.7	-55.2	-62.8	0	0	0	112.8	S275 K276 K280 S283	S275-H278 PolarHBondContact O-N 3.49Å; S275-H278 PolarHBondContact OG-CD2 2.91Å; S275-H278 PolarHBondContact OG-NE2 2.91Å; K276-H278 VanDerWaalsContact C-N 3.33Å; H278-K280 PolarHBondContact O-N 2.77Å; H278-S283 WeakPolarHBondContact O-CB 3.38Å; H278-S283 PolarHBondContact O-OG 2.94Å
279	F	53.3	Low	74	Confident	39 Å²	39	66.5 Å²	66.5	17%	0.171	31%	0.305	C	S	.	.			trans	-88.3	23.4	-171.8	-92.5	-83.4	0	0	0	116.9	L201 S275 K276 R277 Q281 F303	L201-F279 HydrophobicContact CB-CE1 4.44Å; L201-F279 HydrophobicContact CD1-CD1 3.99Å; L201-F279 HydrophobicContact CD1-CE1 3.22Å; L201-F279 HydrophobicContact CD1-CE2 3.9Å; L201-F279 HydrophobicContact CD1-CZ 3.07Å; L201-F279 HydrophobicContact CG-CE1 4.25Å; L201-F279 HydrophobicContact CG-CZ 4.38Å; S275-F279 VanDerWaalsContact O-CD2 3.31Å; S275-F279 WeakPolarHBondContact O-CD2 3.44Å; K276-F279 VanDerWaalsContact CA-CD2 3.43Å; K276-F279 HydrophobicContact CB-CD2 4.4Å; K276-F279 HydrophobicContact CG-CD2 4.09Å; K276-F279 HydrophobicContact CG-CG 4.42Å; K276-F279 WeakPolarHBondContact O-CB 3.47Å; K276-F279 PolarHBondContact O-N 3.01Å; R277-F279 VanDerWaalsContact C-N 3.25Å; F279-Q281 PolarHBondContact O-N 3.19Å; F279-F303 HydrophobicContact CD2-CD1 4.49Å; F279-F303 HydrophobicContact CE1-CD1 4.22Å; F279-F303 HydrophobicContact CE1-CE1 4.12Å; F279-F303 HydrophobicContact CE1-CE2 4.41Å; F279-F303 HydrophobicContact CE1-CG 4.42Å; F279-F303 HydrophobicContact CE1-CZ 4.22Å; F279-F303 HydrophobicContact CE2-CB 3.73Å; F279-F303 AromaticContact CE2-CD1 3.17Å; F279-F303 HydrophobicContact CE2-CD1 3.17Å; F279-F303 AromaticContact CE2-CE1 3.7Å; F279-F303 HydrophobicContact CE2-CE1 3.7Å; F279-F303 AromaticContact CE2-CG 3.64Å; F279-F303 HydrophobicContact CE2-CG 3.64Å; F279-F303 HydrophobicContact CZ-CB 3.66Å; F279-F303 AromaticContact CZ-CD1 3Å; F279-F303 HydrophobicContact CZ-CD1 3Å; F279-F303 AromaticContact CZ-CD2 3.71Å; F279-F303 HydrophobicContact CZ-CD2 3.71Å; F279-F303 AromaticContact CZ-CE1 3.23Å; F279-F303 HydrophobicContact CZ-CE1 3.23Å; F279-F303 AromaticContact CZ-CE2 3.83Å; F279-F303 HydrophobicContact CZ-CE2 3.83Å; F279-F303 AromaticContact CZ-CG 3.24Å; F279-F303 HydrophobicContact CZ-CG 3.24Å; F279-F303 AromaticContact CZ-CZ 3.64Å; F279-F303 HydrophobicContact CZ-CZ 3.64Å
280	K	56.8	Low	73.8	Confident	180 Å²	180	68.9 Å²	68.9	78%	0.783	32%	0.317	S	S	*	.	S	Bend	trans	-61.3	106	147.6	-69.1	-173.1	179	-176.2	0	103.8	H278 N282 S283	H278-K280 PolarHBondContact O-N 2.77Å; K280-N282 CarbonylContact O-C 3.59Å; K280-N282 PolarHBondContact O-N 3.17Å; K280-S283 WeakPolarHBondContact O-CB 3.13Å; K280-S283 PolarHBondContact O-N 2.95Å
281	Q	51.7	Low	73.6	Confident	147 Å²	147	73 Å²	73	69%	0.687	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-13.3	-171.6	-82.4	172.3	-33.7	0	0	113.5	F279	F279-Q281 PolarHBondContact O-N 3.19Å
282	N	52.7	Low	73.6	Confident	138 Å²	138	74.1 Å²	74.1	74%	0.738	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	19.6	171.5	-64.9	-4.7	0	0	0	114.1	K280 M284	K280-N282 CarbonylContact O-C 3.59Å; K280-N282 PolarHBondContact O-N 3.17Å; N282-M284 PolarHBondContact O-N 3.2Å
283	S	70.6	Confident	73.7	Confident	26 Å²	26	74.1 Å²	74.1	18%	0.182	34%	0.344	C	S	.	.			trans	-74.4	121.7	172.2	78.6	0	0	0	0	108	H278 K280 N285 V286 Q287	H278-S283 WeakPolarHBondContact O-CB 3.38Å; H278-S283 PolarHBondContact O-OG 2.94Å; K280-S283 WeakPolarHBondContact O-CB 3.13Å; K280-S283 PolarHBondContact O-N 2.95Å; S283-N285 PolarHBondContact O-N 2.85Å; S283-V286 PolarHBondContact O-N 3.42Å; S283-V286 VanDerWaalsContact OG-CG2 3.26Å; S283-V286 WeakPolarHBondContact OG-CG2 3.37Å; S283-Q287 PolarHBondContact O-N 3.24Å
284	M	78.1	Confident	74.2	Confident	101 Å²	101	77 Å²	77	50%	0.498	36%	0.357	S	S	.	.	H	α-helix	trans	-48.2	-38.1	178.5	-68.8	-63	-71.1	0	0	111.5	N282 V286 Q287 Y288	N282-M284 PolarHBondContact O-N 3.2Å; M284-V286 PolarHBondContact O-N 2.86Å; M284-Q287 PolarHBondContact O-N 2.97Å; M284-Y288 HydrophobicContact CB-CD2 4.14Å; M284-Y288 HydrophobicContact CB-CE2 3.84Å; M284-Y288 HydrophobicContact CE-CE1 4.39Å; M284-Y288 HydrophobicContact CE-CE2 3.76Å; M284-Y288 WeakPolarHBondContact CE-OH 3.09Å; M284-Y288 WeakPolarHBondContact O-CB 3.02Å; M284-Y288 WeakPolarHBondContact O-CD2 3.38Å; M284-Y288 VanDerWaalsContact O-CG 3.27Å; M284-Y288 PolarHBondContact O-N 3.18Å
285	N	79	Confident	75	Confident	68 Å²	68	81.8 Å²	81.8	36%	0.364	38%	0.383	S	S	.	.	H	α-helix	trans	-61.2	-39.7	178.7	-65.1	-13	0	0	0	114	I230 S283 L289	I230-N285 HydrophobicContact CD1-CB 4.16Å; I230-N285 HydrophobicContact CG1-CB 4.22Å; S283-N285 PolarHBondContact O-N 2.85Å; N285-L289 WeakPolarHBondContact O-CB 3.47Å; N285-L289 PolarHBondContact O-N 2.81Å
286	V	80.1	Confident	76.1	Confident	9 Å²	9	85 Å²	85	6%	0.055	40%	0.396	C	S	.	.	H	α-helix	trans	-71.8	-43.5	177.7	172.5	0	0	0	0	109.9	I230 S283 M284 Y288 L289 L290	I230-V286 HydrophobicContact CD1-CG2 3.73Å; S283-V286 PolarHBondContact O-N 3.42Å; S283-V286 VanDerWaalsContact OG-CG2 3.26Å; S283-V286 WeakPolarHBondContact OG-CG2 3.37Å; M284-V286 PolarHBondContact O-N 2.86Å; V286-Y288 VanDerWaalsContact C-N 3.34Å; V286-Y288 PolarHBondContact O-N 3.42Å; V286-L289 PolarHBondContact O-N 3.43Å; V286-L290 HydrophobicContact CG1-CD1 4.09Å; V286-L290 HydrophobicContact CG1-CG 4.3Å; V286-L290 VanDerWaalsContact O-CG 3.3Å; V286-L290 WeakPolarHBondContact O-CG 3.34Å; V286-L290 PolarHBondContact O-N 2.84Å
287	Q	83.6	Confident	77.7	Confident	96 Å²	96	82.1 Å²	82.1	45%	0.449	38%	0.384	S	S	.	.	H	α-helix	trans	-60.9	-43.7	176.8	-68	-179.7	-15.2	0	0	111.7	S283 M284 L290 N291	S283-Q287 PolarHBondContact O-N 3.24Å; M284-Q287 PolarHBondContact O-N 2.97Å; Q287-L290 PolarHBondContact O-N 3.4Å; Q287-N291 WeakPolarHBondContact O-CB 3.26Å; Q287-N291 PolarHBondContact O-N 3.4Å
288	Y	87.8	Confident	79.4	Confident	124 Å²	124	71.5 Å²	71.5	49%	0.486	35%	0.345	S	S	.	.	H	α-helix	trans	-61.6	-44.2	174	-72.1	-47.3	0	0	0	112.3	M284 V286 L290 N291 E292	M284-Y288 HydrophobicContact CB-CD2 4.14Å; M284-Y288 HydrophobicContact CB-CE2 3.84Å; M284-Y288 HydrophobicContact CE-CE1 4.39Å; M284-Y288 HydrophobicContact CE-CE2 3.76Å; M284-Y288 WeakPolarHBondContact CE-OH 3.09Å; M284-Y288 WeakPolarHBondContact O-CB 3.02Å; M284-Y288 WeakPolarHBondContact O-CD2 3.38Å; M284-Y288 VanDerWaalsContact O-CG 3.27Å; M284-Y288 PolarHBondContact O-N 3.18Å; V286-Y288 VanDerWaalsContact C-N 3.34Å; V286-Y288 PolarHBondContact O-N 3.42Å; Y288-L290 VanDerWaalsContact C-N 3.33Å; Y288-L290 PolarHBondContact O-N 2.7Å; Y288-N291 PolarHBondContact O-N 2.96Å; Y288-E292 VanDerWaalsContact O-CB 3.27Å; Y288-E292 WeakPolarHBondContact O-CB 3.44Å; Y288-E292 PolarHBondContact O-N 2.98Å
289	L	90.1	Very high	81.2	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-61.2	-42	176.9	178.7	64.2	0	0	0	111.9	I230 V272 A274 N285 V286 E292 A293 I299 P301	I230-L289 HydrophobicContact CD1-CD2 4.13Å; I230-L289 HydrophobicContact CG1-CB 4.39Å; I230-L289 HydrophobicContact CG1-CD2 4.04Å; V272-L289 HydrophobicContact CB-CD1 4.01Å; V272-L289 HydrophobicContact CB-CD2 4.26Å; V272-L289 HydrophobicContact CG1-CD1 3.71Å; V272-L289 HydrophobicContact CG1-CD2 3.65Å; V272-L289 HydrophobicContact CG1-CG 4.34Å; V272-L289 HydrophobicContact CG2-CD1 4Å; A274-L289 HydrophobicContact CB-CD2 4.44Å; N285-L289 WeakPolarHBondContact O-CB 3.47Å; N285-L289 PolarHBondContact O-N 2.81Å; V286-L289 PolarHBondContact O-N 3.43Å; L289-E292 PolarHBondContact O-N 3.45Å; L289-A293 VanDerWaalsContact O-CB 3.3Å; L289-A293 WeakPolarHBondContact O-CB 3.19Å; L289-A293 PolarHBondContact O-N 3.33Å; L289-I299 HydrophobicContact CD1-CD1 4.15Å; L289-I299 HydrophobicContact CD1-CG2 3.99Å; L289-P301 HydrophobicContact CD2-CB 4.04Å
290	L	88.5	Confident	83.1	Confident	51 Å²	51	66.2 Å²	66.2	27%	0.267	32%	0.321	S	S	.	.	H	α-helix	trans	-69	-40.3	179.9	-66.2	-180	0	0	0	112	F202 I210 V286 Q287 Y288 A293 Q294	F202-L290 HydrophobicContact CE1-CD1 4.46Å; F202-L290 HydrophobicContact CE1-CD2 3.47Å; F202-L290 VanDerWaalsContact CE1-CD2 3.47Å; F202-L290 HydrophobicContact CZ-CD2 3.67Å; I210-L290 HydrophobicContact CD1-CD2 4Å; V286-L290 HydrophobicContact CG1-CD1 4.09Å; V286-L290 HydrophobicContact CG1-CG 4.3Å; V286-L290 VanDerWaalsContact O-CG 3.3Å; V286-L290 WeakPolarHBondContact O-CG 3.34Å; V286-L290 PolarHBondContact O-N 2.84Å; Q287-L290 PolarHBondContact O-N 3.4Å; Y288-L290 VanDerWaalsContact C-N 3.33Å; Y288-L290 PolarHBondContact O-N 2.7Å; L290-A293 PolarHBondContact O-N 3.05Å; L290-Q294 VanDerWaalsContact O-CB 3.28Å; L290-Q294 WeakPolarHBondContact O-CB 3.35Å; L290-Q294 PolarHBondContact O-N 3.41Å
291	N	91.1	Very high	84.7	Confident	86 Å²	86	57.7 Å²	57.7	46%	0.46	28%	0.283	S	S	.	.	H	α-helix	trans	-62.8	-44.4	172.5	-171.7	29.9	0	0	0	111	Q287 Y288 Q294 N295	Q287-N291 WeakPolarHBondContact O-CB 3.26Å; Q287-N291 PolarHBondContact O-N 3.4Å; Y288-N291 PolarHBondContact O-N 2.96Å; N291-Q294 PolarHBondContact O-N 3.21Å; N291-N295 WeakPolarHBondContact O-CB 3.48Å; N291-N295 PolarHBondContact O-N 3.32Å; N291-N295 PolarHBondContact O-ND2 2.84Å; N291-N295 VanDerWaalsContact O-ND2 3.1Å; N291-N295 PolarHBondContact OD1-ND2 3.45Å
292	E	93.7	Very high	86.5	Confident	23 Å²	23	50.7 Å²	50.7	11%	0.107	25%	0.251	C	S	.	.	H	α-helix	trans	-60.1	-47.4	175.4	-165.1	-167.2	160.2	0	0	111.4	R236 R240 Y288 L289 Q294 N295 E296 I299	R236-E292 IonicContact CZ-OE1 3.54Å; R236-E292 IonicContact CZ-OE2 3.49Å; R236-E292 IonicContact NE-OE1 3.45Å; R236-E292 PolarHBondContact NE-OE1 2.87Å; R236-E292 IonicContact NE-OE2 2.77Å; R236-E292 PolarHBondContact NE-OE2 3.45Å; R236-E292 IonicContact NH2-OE1 2.7Å; R236-E292 IonicContact NH2-OE2 3.36Å; R236-E292 PolarHBondContact NH2-OE2 3.02Å; R240-E292 IonicContact CZ-OE1 3.31Å; R240-E292 VanDerWaalsContact CZ-OE1 3.31Å; R240-E292 IonicContact NH1-OE1 2.74Å; R240-E292 PolarHBondContact NH1-OE1 3.3Å; R240-E292 IonicContact NH2-OE1 3.86Å; R240-E292 PolarHBondContact NH2-OE1 2.99Å; Y288-E292 VanDerWaalsContact O-CB 3.27Å; Y288-E292 WeakPolarHBondContact O-CB 3.44Å; Y288-E292 PolarHBondContact O-N 2.98Å; L289-E292 PolarHBondContact O-N 3.45Å; E292-Q294 VanDerWaalsContact C-N 3.32Å; E292-Q294 PolarHBondContact O-N 3.1Å; E292-N295 PolarHBondContact O-N 2.99Å; E292-E296 HydrophobicContact CG-CG 4.07Å; E292-E296 WeakPolarHBondContact O-CB 3.29Å; E292-E296 WeakPolarHBondContact O-CG 3.43Å; E292-E296 PolarHBondContact O-N 3.34Å; E292-I299 HydrophobicContact CB-CD1 4Å; E292-I299 VanDerWaalsContact CD-CD1 3.42Å; E292-I299 HydrophobicContact CG-CD1 3.61Å; E292-I299 WeakPolarHBondContact OE1-CD1 3.27Å
293	A	92.6	Very high	87.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.8	-37.3	178.5	0	0	0	0	0	112.3	I210 L289 L290 K297 I299	I210-A293 HydrophobicContact CB-CB 4.18Å; L289-A293 VanDerWaalsContact O-CB 3.3Å; L289-A293 WeakPolarHBondContact O-CB 3.19Å; L289-A293 PolarHBondContact O-N 3.33Å; L290-A293 PolarHBondContact O-N 3.05Å; A293-K297 PolarHBondContact O-N 2.76Å; A293-I299 HydrophobicContact CB-CB 3.89Å; A293-I299 HydrophobicContact CB-CD1 4.34Å; A293-I299 HydrophobicContact CB-CG2 4.28Å
294	Q	93.5	Very high	88	Confident	89 Å²	89	43.1 Å²	43.1	42%	0.416	21%	0.208	S	C	.	.	H	α-helix	trans	-65.3	-40.4	175.4	-179.3	173.3	-26	0	0	112.1	I210 L290 N291 E292 K297	I210-Q294 HydrophobicContact CG2-CB 4.32Å; L290-Q294 VanDerWaalsContact O-CB 3.28Å; L290-Q294 WeakPolarHBondContact O-CB 3.35Å; L290-Q294 PolarHBondContact O-N 3.41Å; N291-Q294 PolarHBondContact O-N 3.21Å; E292-Q294 VanDerWaalsContact C-N 3.32Å; E292-Q294 PolarHBondContact O-N 3.1Å; Q294-K297 WeakPolarHBondContact O-CD 3.28Å; Q294-K297 WeakPolarHBondContact O-CE 3.4Å
295	N	92.3	Very high	87.5	Confident	101 Å²	101	40.1 Å²	40.1	54%	0.54	20%	0.196	S	C	.	.	H	α-helix	trans	-82.9	-45.1	-175.2	-63.6	-24	0	0	0	112.6	N291 E292	N291-N295 WeakPolarHBondContact O-CB 3.48Å; N291-N295 PolarHBondContact O-N 3.32Å; N291-N295 PolarHBondContact O-ND2 2.84Å; N291-N295 VanDerWaalsContact O-ND2 3.1Å; N291-N295 PolarHBondContact OD1-ND2 3.45Å; E292-N295 PolarHBondContact O-N 2.99Å
296	E	92.2	Very high	86.9	Confident	82 Å²	82	40.2 Å²	40.2	38%	0.383	21%	0.212	S	C	.	.	H	α-helix	trans	-88	-23	-171.3	-59	-70.2	171.3	0	0	113	R240 E292 D298	R240-E296 WeakPolarHBondContact CD-OE2 3.48Å; R240-E296 IonicContact NE-OE2 3.63Å; E292-E296 HydrophobicContact CG-CG 4.07Å; E292-E296 WeakPolarHBondContact O-CB 3.29Å; E292-E296 WeakPolarHBondContact O-CG 3.43Å; E292-E296 PolarHBondContact O-N 3.34Å; E296-D298 VanDerWaalsContact CB-OD1 3.29Å; E296-D298 WeakPolarHBondContact CB-OD1 3.07Å; E296-D298 PolarHBondContact O-N 3.26Å
297	K	91.9	Very high	85.8	Confident	56 Å²	56	41.5 Å²	41.5	24%	0.243	22%	0.221	C	C	.	.	S	Bend	trans	53.8	23.5	177.8	-58.2	-62.4	-164.9	174.4	0	115.3	K209 P212 T213 A293 Q294	K209-K297 PolarHBondContact O-NZ 2.98Å; P212-K297 CarbonylContact C-O 3.55Å; P212-K297 WeakPolarHBondContact CA-O 3.32Å; T213-K297 HydrophobicContact CG2-CB 3.87Å; T213-K297 HydrophobicContact CG2-CD 4.21Å; T213-K297 HydrophobicContact CG2-CG 4.07Å; T213-K297 PolarHBondContact N-O 3.07Å; T213-K297 WeakPolarHBondContact OG1-CB 3.38Å; A293-K297 PolarHBondContact O-N 2.76Å; Q294-K297 WeakPolarHBondContact O-CD 3.28Å; Q294-K297 WeakPolarHBondContact O-CE 3.4Å
298	D	92.2	Very high	84.7	Confident	13 Å²	13	37.8 Å²	37.8	7%	0.07	20%	0.204	C	C	.	.			trans	-123.2	16.9	-178.9	69.9	-9	0	0	0	112.3	R240 F270 E296	R240-D298 IonicContact CZ-OD1 2.97Å; R240-D298 IonicContact CZ-OD2 3.2Å; R240-D298 IonicContact NE-OD1 3.34Å; R240-D298 PolarHBondContact NE-OD1 3.34Å; R240-D298 IonicContact NE-OD2 2.75Å; R240-D298 PolarHBondContact NE-OD2 2.88Å; R240-D298 IonicContact NH2-OD1 2.86Å; R240-D298 PolarHBondContact NH2-OD1 2.98Å; R240-D298 IonicContact NH2-OD2 3.78Å; R240-D298 PolarHBondContact NH2-OD2 3.12Å; F270-D298 PolarHBondContact N-O 3.36Å; E296-D298 VanDerWaalsContact CB-OD1 3.29Å; E296-D298 WeakPolarHBondContact CB-OD1 3.07Å; E296-D298 PolarHBondContact O-N 3.26Å
299	I	94	Very high	83.6	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	124.7	-176	-53.9	-173.6	0	0	0	110.7	P212 F270 V272 L289 E292 A293 P301	P212-I299 WeakPolarHBondContact CG-O 3.36Å; F270-I299 HydrophobicContact CB-CG1 4.36Å; F270-I299 WeakPolarHBondContact O-CA 3.23Å; V272-I299 HydrophobicContact CB-CG2 4.11Å; V272-I299 HydrophobicContact CG2-CG2 3.63Å; L289-I299 HydrophobicContact CD1-CD1 4.15Å; L289-I299 HydrophobicContact CD1-CG2 3.99Å; E292-I299 HydrophobicContact CB-CD1 4Å; E292-I299 VanDerWaalsContact CD-CD1 3.42Å; E292-I299 HydrophobicContact CG-CD1 3.61Å; E292-I299 WeakPolarHBondContact OE1-CD1 3.27Å; A293-I299 HydrophobicContact CB-CB 3.89Å; A293-I299 HydrophobicContact CB-CD1 4.34Å; A293-I299 HydrophobicContact CB-CG2 4.28Å; I299-P301 VanDerWaalsContact O-CD 3.22Å; I299-P301 WeakPolarHBondContact O-CD 3.39Å
300	L	93.5	Very high	82.8	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	100.9	161.6	-175.5	64.1	0	0	0	109.7	L199 W207 P212 L269 F270 I271 V272 L302 F321	L199-L300 HydrophobicContact CD2-CD1 4.37Å; W207-L300 HydrophobicContact CH2-CD1 3.76Å; W207-L300 HydrophobicContact CZ3-CD1 4.09Å; P212-L300 HydrophobicContact CG-CB 4.25Å; L269-L300 HydrophobicContact CD1-CB 4.32Å; F270-L300 PolarHBondContact O-N 3.15Å; I271-L300 HydrophobicContact CD1-CB 3.83Å; I271-L300 HydrophobicContact CD1-CD2 3.88Å; I271-L300 HydrophobicContact CD1-CG 4.4Å; V272-L300 PolarHBondContact N-O 3.05Å; L300-L302 HydrophobicContact CD1-CD2 4.41Å; L300-L302 HydrophobicContact CD2-CD1 4.46Å; L300-L302 HydrophobicContact CD2-CD2 3.89Å; L300-L302 HydrophobicContact CD2-CG 4.24Å; L300-L302 HydrophobicContact CG-CD2 3.85Å; L300-L302 HydrophobicContact CG-CG 4.12Å; L300-L302 PolarHBondContact O-N 3.17Å; L300-F321 HydrophobicContact CD1-CD2 4.01Å; L300-F321 HydrophobicContact CD1-CE2 4.1Å; L300-F321 HydrophobicContact CD1-CG 4.31Å; L300-F321 HydrophobicContact CD1-CZ 4.46Å; L300-F321 HydrophobicContact CD2-CB 3.73Å; L300-F321 HydrophobicContact CD2-CD1 3.76Å; L300-F321 HydrophobicContact CD2-CD2 4.12Å; L300-F321 HydrophobicContact CD2-CE1 4.41Å; L300-F321 HydrophobicContact CD2-CG 3.59Å
301	P	90.1	Very high	82.4	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	122.3	171.9	29.5	-32.1	0	0	0	109.7	L199 F202 I210 L289 I299 F303	L199-P301 VanDerWaalsContact CD2-O 3.23Å; L199-P301 WeakPolarHBondContact CD2-O 3.46Å; F202-P301 HydrophobicContact CE2-CG 3.9Å; F202-P301 HydrophobicContact CZ-CB 4.37Å; F202-P301 HydrophobicContact CZ-CG 3.77Å; I210-P301 HydrophobicContact CD1-CG 4.16Å; L289-P301 HydrophobicContact CD2-CB 4.04Å; I299-P301 VanDerWaalsContact O-CD 3.22Å; I299-P301 WeakPolarHBondContact O-CD 3.39Å; P301-F303 HydrophobicContact CB-CZ 4.37Å
302	L	88.2	Confident	82.1	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.1	177.2	-65.8	-178.8	0	0	0	110.7	L195 A198 L199 I271 V272 A274 L300 L314 L317	L195-L302 HydrophobicContact CD1-CD2 3.96Å; A198-L302 HydrophobicContact CB-CD2 4.17Å; L199-L302 HydrophobicContact CD2-CD2 4.37Å; I271-L302 HydrophobicContact CG2-CD1 3.54Å; I271-L302 HydrophobicContact CG2-CG 4.18Å; V272-L302 PolarHBondContact O-N 2.89Å; A274-L302 PolarHBondContact N-O 3.35Å; L300-L302 HydrophobicContact CD1-CD2 4.41Å; L300-L302 HydrophobicContact CD2-CD1 4.46Å; L300-L302 HydrophobicContact CD2-CD2 3.89Å; L300-L302 HydrophobicContact CD2-CG 4.24Å; L300-L302 HydrophobicContact CG-CD2 3.85Å; L300-L302 HydrophobicContact CG-CG 4.12Å; L300-L302 PolarHBondContact O-N 3.17Å; L302-L314 HydrophobicContact CB-CD2 4.3Å; L302-L314 HydrophobicContact CD1-CD2 4.06Å; L302-L317 HydrophobicContact CD1-CB 3.63Å; L302-L317 HydrophobicContact CD1-CD1 4.02Å; L302-L317 HydrophobicContact CD2-CB 4.41Å
303	F	79.9	Confident	81.7	Confident	4 Å²	4	31.1 Å²	31.1	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	96	-174.2	-58.9	-62	0	0	0	112.7	A198 L201 F202 A274 F279 P301	A198-F303 WeakPolarHBondContact O-CB 3.47Å; A198-F303 PolarHBondContact O-N 2.97Å; L201-F303 HydrophobicContact CB-CD2 4.26Å; L201-F303 HydrophobicContact CB-CE2 4.38Å; L201-F303 HydrophobicContact CD1-CB 3.81Å; L201-F303 HydrophobicContact CD1-CD2 3.94Å; L201-F303 HydrophobicContact CD1-CG 4.06Å; F202-F303 HydrophobicContact CD2-CE2 4.3Å; F202-F303 AromaticContact CE1-CE2 3.81Å; F202-F303 HydrophobicContact CE1-CE2 3.81Å; F202-F303 HydrophobicContact CE1-CZ 4.33Å; F202-F303 AromaticContact CE2-CD2 3.86Å; F202-F303 HydrophobicContact CE2-CD2 3.86Å; F202-F303 AromaticContact CE2-CE2 3.35Å; F202-F303 HydrophobicContact CE2-CE2 3.35Å; F202-F303 HydrophobicContact CE2-CZ 4.31Å; F202-F303 HydrophobicContact CZ-CD2 4.06Å; F202-F303 AromaticContact CZ-CE2 3.09Å; F202-F303 HydrophobicContact CZ-CE2 3.09Å; F202-F303 AromaticContact CZ-CZ 3.69Å; F202-F303 HydrophobicContact CZ-CZ 3.69Å; A274-F303 HydrophobicContact CB-CD1 3.26Å; A274-F303 HydrophobicContact CB-CE1 3.34Å; A274-F303 WeakPolarHBondContact O-CA 2.95Å; F279-F303 HydrophobicContact CD2-CD1 4.49Å; F279-F303 HydrophobicContact CE1-CD1 4.22Å; F279-F303 HydrophobicContact CE1-CE1 4.12Å; F279-F303 HydrophobicContact CE1-CE2 4.41Å; F279-F303 HydrophobicContact CE1-CG 4.42Å; F279-F303 HydrophobicContact CE1-CZ 4.22Å; F279-F303 HydrophobicContact CE2-CB 3.73Å; F279-F303 AromaticContact CE2-CD1 3.17Å; F279-F303 HydrophobicContact CE2-CD1 3.17Å; F279-F303 AromaticContact CE2-CE1 3.7Å; F279-F303 HydrophobicContact CE2-CE1 3.7Å; F279-F303 AromaticContact CE2-CG 3.64Å; F279-F303 HydrophobicContact CE2-CG 3.64Å; F279-F303 HydrophobicContact CZ-CB 3.66Å; F279-F303 AromaticContact CZ-CD1 3Å; F279-F303 HydrophobicContact CZ-CD1 3Å; F279-F303 AromaticContact CZ-CD2 3.71Å; F279-F303 HydrophobicContact CZ-CD2 3.71Å; F279-F303 AromaticContact CZ-CE1 3.23Å; F279-F303 HydrophobicContact CZ-CE1 3.23Å; F279-F303 AromaticContact CZ-CE2 3.83Å; F279-F303 HydrophobicContact CZ-CE2 3.83Å; F279-F303 AromaticContact CZ-CG 3.24Å; F279-F303 HydrophobicContact CZ-CG 3.24Å; F279-F303 AromaticContact CZ-CZ 3.64Å; F279-F303 HydrophobicContact CZ-CZ 3.64Å; P301-F303 HydrophobicContact CB-CZ 4.37Å
304	L	76.4	Confident	81.6	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	145.9	-172.2	-54.8	-179.1	0	0	0	112.3	A198 A274 K276 Q308 H309 L314 L317	A198-L304 HydrophobicContact CB-CD2 4.12Å; A274-L304 PolarHBondContact O-N 3.27Å; K276-L304 PolarHBondContact N-O 2.91Å; L304-Q308 HydrophobicContact CB-CB 4.47Å; L304-H309 HydrophobicContact CB-CB 4.37Å; L304-L314 HydrophobicContact CD1-CD2 3.59Å; L304-L314 HydrophobicContact CD1-CG 4.17Å; L304-L317 HydrophobicContact CD2-CD1 3.39Å
305	T	67.1	Low	81.5	Confident	38 Å²	38	27.2 Å²	27.2	23%	0.233	15%	0.153	C	C	.	.			trans	-127.7	140.3	-171.6	82.1	0	0	0	0	111.1	K276 S307 Q308	K276-T305 HydrophobicContact CB-CG2 4.35Å; K276-T305 HydrophobicContact CD-CG2 3.3Å; K276-T305 HydrophobicContact CG-CG2 3.72Å; T305-S307 PolarHBondContact O-N 3.05Å; T305-Q308 VanDerWaalsContact O-CB 3.24Å; T305-Q308 WeakPolarHBondContact O-CB 3Å; T305-Q308 WeakPolarHBondContact O-CG 3.39Å; T305-Q308 PolarHBondContact O-N 3.03Å; T305-Q308 PolarHBondContact OG1-OE1 2.89Å
306	G	65.4	Low	81.5	Confident	69 Å²	69	22.9 Å²	22.9	71%	0.711	13%	0.13	S	C	*	.	G	3₁₀ helix	trans	55.6	-129.7	174.2	0	0	0	0	0	113.7	Q308 H309	G306-Q308 PolarHBondContact O-N 3.07Å; G306-H309 WeakPolarHBondContact O-CB 3.46Å; G306-H309 PolarHBondContact O-N 2.9Å
307	S	58.1	Low	81.5	Confident	36 Å²	36	19 Å²	19	25%	0.252	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-69.1	-13	180	48.8	0	0	0	0	114.3	Q191 T305 H309 N310	Q191-S307 PolarHBondContact OE1-OG 3.45Å; T305-S307 PolarHBondContact O-N 3.05Å; S307-H309 PolarHBondContact O-N 2.55Å; S307-N310 PolarHBondContact O-ND2 2.78Å
308	Q	60.5	Low	81.6	Confident	18 Å²	18	16.3 Å²	16.3	8%	0.084	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-72.4	-17.1	175.5	-57.1	175	-37.7	0	0	111.8	I193 L304 T305 G306 N310 S313	I193-Q308 HydrophobicContact CG1-CB 4.13Å; I193-Q308 HydrophobicContact CG1-CG 3.93Å; L304-Q308 HydrophobicContact CB-CB 4.47Å; T305-Q308 VanDerWaalsContact O-CB 3.24Å; T305-Q308 WeakPolarHBondContact O-CB 3Å; T305-Q308 WeakPolarHBondContact O-CG 3.39Å; T305-Q308 PolarHBondContact O-N 3.03Å; T305-Q308 PolarHBondContact OG1-OE1 2.89Å; G306-Q308 PolarHBondContact O-N 3.07Å; Q308-N310 PolarHBondContact O-N 3.2Å; Q308-S313 WeakPolarHBondContact O-CB 3.47Å; Q308-S313 PolarHBondContact O-OG 2.98Å
309	H	65.1	Low	81.7	Confident	70 Å²	70	15.7 Å²	15.7	32%	0.324	10%	0.097	S	C	.	.			trans	-75.6	61.7	179.5	-168.4	-75.9	0	0	0	111.5	N273 S275 L304 G306 S307	N273-H309 PolarHBondContact ND2-CE1 2.95Å; N273-H309 VanDerWaalsContact ND2-CE1 3.27Å; N273-H309 PolarHBondContact ND2-NE2 3.2Å; S275-H309 VanDerWaalsContact CB-CD2 3.4Å; S275-H309 WeakPolarHBondContact CB-CD2 3.34Å; S275-H309 WeakPolarHBondContact CB-NE2 3.33Å; L304-H309 HydrophobicContact CB-CB 4.37Å; G306-H309 WeakPolarHBondContact O-CB 3.46Å; G306-H309 PolarHBondContact O-N 2.9Å; S307-H309 PolarHBondContact O-N 2.55Å
310	N	72.3	Confident	81.6	Confident	8 Å²	8	16.4 Å²	16.4	4%	0.043	10%	0.1	C	C	.	.	S	Bend	trans	-123.3	155.3	171.9	70.3	65.6	0	0	0	109.4	S307 Q308 A312 S313 L399 I441	S307-N310 PolarHBondContact O-ND2 2.78Å; Q308-N310 PolarHBondContact O-N 3.2Å; N310-A312 PolarHBondContact O-N 2.03Å; N310-A312 WeakPolarHBondContact OD1-CA 3.45Å; N310-A312 WeakPolarHBondContact OD1-CB 3.37Å; N310-A312 PolarHBondContact OD1-N 2.89Å; N310-S313 VanDerWaalsContact CG-OG 3.27Å; N310-S313 PolarHBondContact ND2-OG 2.94Å; N310-S313 VanDerWaalsContact ND2-OG 3.16Å; N310-S313 WeakPolarHBondContact O-CB 3.38Å; N310-S313 PolarHBondContact O-N 3.25Å; N310-S313 PolarHBondContact OD1-N 2.84Å; N310-S313 PolarHBondContact OD1-OG 2.8Å; N310-S313 VanDerWaalsContact OD1-OG 3.06Å; N310-L399 HydrophobicContact CB-CD1 3.95Å; N310-I441 HydrophobicContact CB-CD1 4.02Å
311	Y	79.7	Confident	81.5	Confident	67 Å²	67	16.4 Å²	16.4	26%	0.263	10%	0.1	S	C	.	.	H	α-helix	trans	-61.9	-26.7	-177.5	-171.6	-111.4	0	0	0	113.3	F227 L314 H315 N337 I441	F227-Y311 HydrophobicContact CB-CE2 4.14Å; F227-Y311 HydrophobicContact CD2-CE2 4.33Å; F227-Y311 WeakPolarHBondContact CD2-OH 3.32Å; F227-Y311 HydrophobicContact CG-CE2 4.12Å; Y311-L314 HydrophobicContact CD2-CD1 4.28Å; Y311-L314 PolarHBondContact O-N 2.91Å; Y311-H315 AromaticContact CD1-CE1 3.74Å; Y311-H315 AromaticContact CE1-CE1 3.18Å; Y311-H315 WeakPolarHBondContact CE1-CE1 3.22Å; Y311-H315 AromaticContact CE1-ND1 4Å; Y311-H315 AromaticContact CE1-NE2 3.93Å; Y311-H315 AromaticContact CE2-CE1 3.95Å; Y311-H315 AromaticContact CZ-CE1 3.29Å; Y311-H315 PolarHBondContact O-ND1 2.89Å; Y311-H315 PolarHBondContact OH-CE1 2.93Å; Y311-N337 PolarHBondContact OH-OD1 2.93Å; Y311-I441 HydrophobicContact CD1-CG2 3.99Å
312	A	85.6	Confident	81.7	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-67.2	-42.2	178.2	0	0	0	0	0	111.4	N310 L314 H315 I316 P437 I441 Y444 L445	N310-A312 PolarHBondContact O-N 2.03Å; N310-A312 WeakPolarHBondContact OD1-CA 3.45Å; N310-A312 WeakPolarHBondContact OD1-CB 3.37Å; N310-A312 PolarHBondContact OD1-N 2.89Å; A312-L314 PolarHBondContact O-N 2.85Å; A312-H315 PolarHBondContact O-N 3.26Å; A312-H315 VanDerWaalsContact O-N 3.09Å; A312-I316 WeakPolarHBondContact O-CG1 3.2Å; A312-I316 PolarHBondContact O-N 2.82Å; A312-P437 HydrophobicContact CB-CB 4.3Å; A312-I441 HydrophobicContact CB-CG2 3.68Å; A312-Y444 HydrophobicContact CB-CD1 3.85Å; A312-Y444 HydrophobicContact CB-CE1 3.88Å; A312-L445 HydrophobicContact CB-CD2 3.96Å; A312-L445 HydrophobicContact CB-CG 4.28Å
313	S	85.9	Confident	81.9	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-54.1	-39.3	177.3	-53.5	0	0	0	0	112	I193 Q308 N310 H315 I316 L317	I193-S313 WeakPolarHBondContact CD1-OG 3.47Å; Q308-S313 WeakPolarHBondContact O-CB 3.47Å; Q308-S313 PolarHBondContact O-OG 2.98Å; N310-S313 VanDerWaalsContact CG-OG 3.27Å; N310-S313 PolarHBondContact ND2-OG 2.94Å; N310-S313 VanDerWaalsContact ND2-OG 3.16Å; N310-S313 WeakPolarHBondContact O-CB 3.38Å; N310-S313 PolarHBondContact O-N 3.25Å; N310-S313 PolarHBondContact OD1-N 2.84Å; N310-S313 PolarHBondContact OD1-OG 2.8Å; N310-S313 VanDerWaalsContact OD1-OG 3.06Å; S313-H315 PolarHBondContact O-N 3.05Å; S313-I316 PolarHBondContact O-N 2.76Å; S313-L317 VanDerWaalsContact O-CB 3.24Å; S313-L317 WeakPolarHBondContact O-CB 3.25Å; S313-L317 WeakPolarHBondContact O-CG 3.45Å; S313-L317 PolarHBondContact O-N 2.85Å
314	L	89.6	Confident	82.2	Confident	8 Å²	8	18.6 Å²	18.6	4%	0.042	11%	0.111	C	C	.	.	H	α-helix	trans	-64.4	-41.2	179.8	-60.7	171.7	0	0	0	111.9	F227 I271 N273 L302 L304 Y311 A312 A318	F227-L314 HydrophobicContact CD1-CB 3.88Å; F227-L314 HydrophobicContact CD1-CD1 4.3Å; F227-L314 HydrophobicContact CE1-CB 3.67Å; I271-L314 HydrophobicContact CG2-CB 4.31Å; I271-L314 HydrophobicContact CG2-CD2 4.2Å; N273-L314 HydrophobicContact CB-CD1 3.8Å; N273-L314 HydrophobicContact CB-CD2 3.78Å; N273-L314 HydrophobicContact CB-CG 4.43Å; L302-L314 HydrophobicContact CB-CD2 4.3Å; L302-L314 HydrophobicContact CD1-CD2 4.06Å; L304-L314 HydrophobicContact CD1-CD2 3.59Å; L304-L314 HydrophobicContact CD1-CG 4.17Å; Y311-L314 HydrophobicContact CD2-CD1 4.28Å; Y311-L314 PolarHBondContact O-N 2.91Å; A312-L314 PolarHBondContact O-N 2.85Å; L314-A318 WeakPolarHBondContact O-CB 3.11Å; L314-A318 PolarHBondContact O-N 2.74Å
315	H	92.3	Very high	82.7	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-68.2	-43.1	177.8	-68.6	64.8	0	0	0	111.6	F227 Y311 A312 S313 S319 F335 F418 W428 L445	F227-H315 AromaticContact CD2-CE1 3.76Å; F227-H315 AromaticContact CD2-NE2 3.94Å; F227-H315 AromaticContact CE1-CE1 3.98Å; F227-H315 AromaticContact CE1-ND1 3.97Å; F227-H315 AromaticContact CE2-CD2 3.68Å; F227-H315 AromaticContact CE2-CE1 3.17Å; F227-H315 WeakPolarHBondContact CE2-CE1 3.24Å; F227-H315 AromaticContact CE2-ND1 3.88Å; F227-H315 AromaticContact CE2-NE2 3.08Å; F227-H315 WeakPolarHBondContact CE2-NE2 3.42Å; F227-H315 HydrophobicContact CZ-CB 4.4Å; F227-H315 AromaticContact CZ-CD2 3.57Å; F227-H315 AromaticContact CZ-CE1 3.29Å; F227-H315 WeakPolarHBondContact CZ-CE1 3.38Å; F227-H315 AromaticContact CZ-CG 3.62Å; F227-H315 AromaticContact CZ-ND1 3.49Å; F227-H315 WeakPolarHBondContact CZ-ND1 3.3Å; F227-H315 AromaticContact CZ-NE2 3.42Å; F227-H315 WeakPolarHBondContact CZ-NE2 3.3Å; Y311-H315 AromaticContact CD1-CE1 3.74Å; Y311-H315 AromaticContact CE1-CE1 3.18Å; Y311-H315 WeakPolarHBondContact CE1-CE1 3.22Å; Y311-H315 AromaticContact CE1-ND1 4Å; Y311-H315 AromaticContact CE1-NE2 3.93Å; Y311-H315 AromaticContact CE2-CE1 3.95Å; Y311-H315 AromaticContact CZ-CE1 3.29Å; Y311-H315 PolarHBondContact O-ND1 2.89Å; Y311-H315 PolarHBondContact OH-CE1 2.93Å; A312-H315 PolarHBondContact O-N 3.26Å; A312-H315 VanDerWaalsContact O-N 3.09Å; S313-H315 PolarHBondContact O-N 3.05Å; H315-S319 WeakPolarHBondContact O-CB 3.26Å; H315-S319 PolarHBondContact O-N 3.03Å; H315-S319 PolarHBondContact O-OG 2.95Å; H315-F335 AromaticContact CD2-CD1 3.81Å; H315-F418 AromaticContact CD2-CE1 3.69Å; H315-F418 AromaticContact CD2-CZ 3.72Å; H315-F418 AromaticContact NE2-CE1 3.87Å; H315-W428 HydrophobicContact CB-CH2 3.94Å; H315-L445 HydrophobicContact CB-CD1 4.26Å; H315-L445 HydrophobicContact CB-CD2 4.08Å
316	I	92	Very high	83.7	Confident	10 Å²	10	20.1 Å²	20.1	5%	0.051	11%	0.113	C	C	.	.	H	α-helix	trans	-64.8	-46.9	-180	-66.8	173.6	0	0	0	110.1	A312 S313 S319 E320 W428 Y429 Y444	A312-I316 WeakPolarHBondContact O-CG1 3.2Å; A312-I316 PolarHBondContact O-N 2.82Å; S313-I316 PolarHBondContact O-N 2.76Å; I316-S319 PolarHBondContact O-N 3.43Å; I316-E320 PolarHBondContact O-N 2.82Å; I316-W428 HydrophobicContact CG1-CH2 4.44Å; I316-Y429 HydrophobicContact CG2-CD2 4Å; I316-Y429 HydrophobicContact CG2-CE2 3.64Å; I316-Y429 WeakPolarHBondContact O-CE2 2.99Å; I316-Y444 HydrophobicContact CD1-CE1 4.11Å
317	L	91.6	Very high	84.5	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-68.5	-38	178.8	-73.3	172.2	0	0	0	113.1	I193 L195 A198 L302 L304 S313 S319 E320 F321	I193-L317 HydrophobicContact CG2-CD1 3.55Å; I193-L317 HydrophobicContact CG2-CD2 3.48Å; I193-L317 VanDerWaalsContact CG2-CD2 3.48Å; I193-L317 HydrophobicContact CG2-CG 3.39Å; L195-L317 HydrophobicContact CB-CD2 4.3Å; A198-L317 HydrophobicContact CB-CD1 3.83Å; A198-L317 HydrophobicContact CB-CD2 4.3Å; L302-L317 HydrophobicContact CD1-CB 3.63Å; L302-L317 HydrophobicContact CD1-CD1 4.02Å; L302-L317 HydrophobicContact CD2-CB 4.41Å; L304-L317 HydrophobicContact CD2-CD1 3.39Å; S313-L317 VanDerWaalsContact O-CB 3.24Å; S313-L317 WeakPolarHBondContact O-CB 3.25Å; S313-L317 WeakPolarHBondContact O-CG 3.45Å; S313-L317 PolarHBondContact O-N 2.85Å; L317-S319 VanDerWaalsContact C-N 3.29Å; L317-S319 PolarHBondContact O-N 3.19Å; L317-E320 PolarHBondContact O-N 2.78Å; L317-F321 WeakPolarHBondContact O-CB 2.97Å; L317-F321 PolarHBondContact O-N 3.36Å
318	A	93.6	Very high	85.7	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.1	-44	172.1	0	0	0	0	0	110.4	I225 I271 L314 F321 L322 F335	I225-A318 HydrophobicContact CD1-CB 4.42Å; I271-A318 HydrophobicContact CD1-CB 3.7Å; I271-A318 HydrophobicContact CG1-CB 3.9Å; L314-A318 WeakPolarHBondContact O-CB 3.11Å; L314-A318 PolarHBondContact O-N 2.74Å; A318-F321 WeakPolarHBondContact O-CB 3.32Å; A318-F321 PolarHBondContact O-N 2.86Å; A318-L322 WeakPolarHBondContact O-CG 3.25Å; A318-L322 PolarHBondContact O-N 3.08Å; A318-F335 HydrophobicContact CB-CE1 4.32Å
319	S	94.1	Very high	86.9	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.9	-41.1	177.1	-55.4	0	0	0	0	112.2	H315 I316 L317 L322 L323 W428	H315-S319 WeakPolarHBondContact O-CB 3.26Å; H315-S319 PolarHBondContact O-N 3.03Å; H315-S319 PolarHBondContact O-OG 2.95Å; I316-S319 PolarHBondContact O-N 3.43Å; L317-S319 VanDerWaalsContact C-N 3.29Å; L317-S319 PolarHBondContact O-N 3.19Å; S319-L322 PolarHBondContact O-N 3.17Å; S319-L323 VanDerWaalsContact O-CG 3.27Å; S319-L323 WeakPolarHBondContact O-CG 3.39Å; S319-L323 PolarHBondContact O-N 3.33Å; S319-W428 WeakPolarHBondContact OG-CZ3 3.48Å
320	E	92.4	Very high	88.1	Confident	14 Å²	14	26 Å²	26	7%	0.065	12%	0.124	C	C	.	.	H	α-helix	trans	-57.1	-49.4	172.9	-172.8	169.2	-153.1	0	0	110.8	L163 N194 L195 I316 L317 L322 L323 H324 Y429	L163-E320 HydrophobicContact CD1-CG 4.3Å; N194-E320 WeakPolarHBondContact CA-OE2 3.42Å; L195-E320 HydrophobicContact CB-CG 4.02Å; L195-E320 WeakPolarHBondContact CB-OE2 3.42Å; L195-E320 HydrophobicContact CD2-CG 4.45Å; L195-E320 PolarHBondContact N-OE2 3.28Å; I316-E320 PolarHBondContact O-N 2.82Å; L317-E320 PolarHBondContact O-N 2.78Å; E320-L322 PolarHBondContact O-N 3.45Å; E320-L323 PolarHBondContact O-N 2.9Å; E320-H324 PolarHBondContact O-CD2 2.9Å; E320-H324 PolarHBondContact O-N 2.75Å; E320-H324 VanDerWaalsContact O-N 3.13Å; E320-Y429 HydrophobicContact CB-CE2 3.72Å; E320-Y429 WeakPolarHBondContact CB-OH 3.39Å; E320-Y429 HydrophobicContact CG-CE2 4.41Å; E320-Y429 WeakPolarHBondContact CG-OH 3.42Å; E320-Y429 PolarHBondContact OE1-OH 3.02Å
321	F	92.6	Very high	89	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-56.6	-48.4	176.8	171.5	-102.3	0	0	0	112.2	F160 L195 W207 P212 I214 L269 L300 L317 A318 L323 H324 Y325	F160-F321 HydrophobicContact CE1-CD2 4.32Å; F160-F321 HydrophobicContact CZ-CD2 4.46Å; L195-F321 HydrophobicContact CD1-CB 4.11Å; L195-F321 HydrophobicContact CD2-CB 3.81Å; L195-F321 HydrophobicContact CD2-CD2 4.17Å; W207-F321 AromaticContact CH2-CE2 3.93Å; W207-F321 HydrophobicContact CH2-CE2 3.93Å; W207-F321 HydrophobicContact CZ2-CE2 4Å; P212-F321 HydrophobicContact CB-CZ 4.31Å; P212-F321 HydrophobicContact CG-CE1 4.32Å; P212-F321 HydrophobicContact CG-CZ 3.93Å; I214-F321 HydrophobicContact CD1-CE1 4.05Å; I214-F321 HydrophobicContact CG1-CE1 4.49Å; L269-F321 HydrophobicContact CD2-CD1 4.3Å; L269-F321 HydrophobicContact CD2-CE1 4.19Å; L300-F321 HydrophobicContact CD1-CD2 4.01Å; L300-F321 HydrophobicContact CD1-CE2 4.1Å; L300-F321 HydrophobicContact CD1-CG 4.31Å; L300-F321 HydrophobicContact CD1-CZ 4.46Å; L300-F321 HydrophobicContact CD2-CB 3.73Å; L300-F321 HydrophobicContact CD2-CD1 3.76Å; L300-F321 HydrophobicContact CD2-CD2 4.12Å; L300-F321 HydrophobicContact CD2-CE1 4.41Å; L300-F321 HydrophobicContact CD2-CG 3.59Å; L317-F321 WeakPolarHBondContact O-CB 2.97Å; L317-F321 PolarHBondContact O-N 3.36Å; A318-F321 WeakPolarHBondContact O-CB 3.32Å; A318-F321 PolarHBondContact O-N 2.86Å; F321-L323 VanDerWaalsContact C-N 3.32Å; F321-L323 PolarHBondContact O-N 2.96Å; F321-H324 PolarHBondContact O-N 3.26Å; F321-Y325 HydrophobicContact CE2-CD2 4.42Å; F321-Y325 HydrophobicContact CE2-CG 4.13Å; F321-Y325 HydrophobicContact CZ-CD1 4.02Å; F321-Y325 AromaticContact CZ-CG 3.95Å; F321-Y325 HydrophobicContact CZ-CG 3.95Å; F321-Y325 VanDerWaalsContact O-CB 3.28Å; F321-Y325 WeakPolarHBondContact O-CB 3.08Å; F321-Y325 PolarHBondContact O-N 2.93Å
322	L	93.7	Very high	89.6	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.5	-36.6	179.1	-67	-177	0	0	0	112.9	I214 L223 I225 L269 A318 S319 E320 H324 Y325 C326 K327 I330 V333 F422 M425	I214-L322 HydrophobicContact CD1-CD2 3.65Å; L223-L322 HydrophobicContact CD2-CD1 3.71Å; L223-L322 HydrophobicContact CD2-CD2 3.47Å; L223-L322 VanDerWaalsContact CD2-CD2 3.47Å; L223-L322 HydrophobicContact CD2-CG 4.25Å; I225-L322 HydrophobicContact CD1-CD1 3.54Å; I225-L322 HydrophobicContact CD1-CG 4.43Å; L269-L322 HydrophobicContact CD2-CD2 4.43Å; A318-L322 WeakPolarHBondContact O-CG 3.25Å; A318-L322 PolarHBondContact O-N 3.08Å; S319-L322 PolarHBondContact O-N 3.17Å; E320-L322 PolarHBondContact O-N 3.45Å; L322-H324 VanDerWaalsContact C-N 3.33Å; L322-H324 PolarHBondContact O-N 3.03Å; L322-Y325 PolarHBondContact O-N 2.63Å; L322-C326 HydrophobicContact CD2-CB 4.5Å; L322-C326 WeakPolarHBondContact O-CA 3.49Å; L322-C326 WeakPolarHBondContact O-CB 3.34Å; L322-C326 PolarHBondContact O-N 3.46Å; L322-K327 PolarHBondContact O-N 2.91Å; L322-I330 HydrophobicContact CD1-CD1 4.48Å; L322-I330 HydrophobicContact CD2-CD1 4.22Å; L322-V333 HydrophobicContact CD1-CG1 4.07Å; L322-V333 HydrophobicContact CD1-CG2 4.17Å; L322-F422 HydrophobicContact CB-CE2 4.09Å; L322-M425 HydrophobicContact CB-CE 4.48Å; L322-M425 HydrophobicContact CB-SD 4.46Å; L322-M425 HydrophobicContact CD1-SD 4.1Å
323	L	91.5	Very high	90.1	Very high	17 Å²	17	23.7 Å²	23.7	9%	0.089	12%	0.116	C	C	.	.	H	α-helix	trans	-66	-35.2	177	-72.6	170.4	0	0	0	112.6	L163 S319 E320 F321 F422 M425 K426 Y429	L163-L323 HydrophobicContact CD1-CB 3.8Å; L163-L323 HydrophobicContact CD1-CD1 4.15Å; L163-L323 HydrophobicContact CD2-CB 4.46Å; S319-L323 VanDerWaalsContact O-CG 3.27Å; S319-L323 WeakPolarHBondContact O-CG 3.39Å; S319-L323 PolarHBondContact O-N 3.33Å; E320-L323 PolarHBondContact O-N 2.9Å; F321-L323 VanDerWaalsContact C-N 3.32Å; F321-L323 PolarHBondContact O-N 2.96Å; L323-F422 HydrophobicContact CD2-CE1 3.93Å; L323-F422 HydrophobicContact CD2-CZ 3.83Å; L323-M425 HydrophobicContact CD2-CE 3.7Å; L323-M425 HydrophobicContact CG-CE 3.84Å; L323-K426 HydrophobicContact CD2-CB 3.79Å; L323-K426 HydrophobicContact CD2-CD 4.28Å; L323-K426 HydrophobicContact CD2-CG 3.81Å; L323-Y429 HydrophobicContact CD1-CD1 3.19Å; L323-Y429 HydrophobicContact CD1-CE1 3.75Å; L323-Y429 HydrophobicContact CD1-CG 3.75Å
324	H	87.1	Confident	90.5	Very high	34 Å²	34	23.7 Å²	23.7	16%	0.157	12%	0.116	C	C	.	.	H	α-helix	trans	-74.9	-46.9	172.9	-69.5	-74.7	0	0	0	112.4	F160 L161 L163 E320 F321 L322	F160-H324 HydrophobicContact CD1-CB 3.7Å; F160-H324 AromaticContact CD1-CD2 3.73Å; F160-H324 AromaticContact CD1-CG 3.64Å; F160-H324 HydrophobicContact CE1-CB 4.2Å; L161-H324 PolarHBondContact O-CE1 2.72Å; L161-H324 PolarHBondContact O-ND1 3.33Å; L163-H324 WeakPolarHBondContact CG-CE1 3.18Å; E320-H324 PolarHBondContact O-CD2 2.9Å; E320-H324 PolarHBondContact O-N 2.75Å; E320-H324 VanDerWaalsContact O-N 3.13Å; F321-H324 PolarHBondContact O-N 3.26Å; L322-H324 VanDerWaalsContact C-N 3.33Å; L322-H324 PolarHBondContact O-N 3.03Å
325	Y	86.8	Confident	90.8	Very high	66 Å²	66	23.3 Å²	23.3	26%	0.259	11%	0.114	S	C	.	.	H	α-helix	trans	-89.9	-47.2	-164.5	-159.6	-104.7	0	0	0	113.1	P212 I214 Q216 F321 L322	P212-Y325 PolarHBondContact O-OH 3.39Å; I214-Y325 HydrophobicContact CG1-CD1 4.43Å; I214-Y325 WeakPolarHBondContact O-CE1 3.29Å; Q216-Y325 PolarHBondContact NE2-OH 3.08Å; F321-Y325 HydrophobicContact CE2-CD2 4.42Å; F321-Y325 HydrophobicContact CE2-CG 4.13Å; F321-Y325 HydrophobicContact CZ-CD1 4.02Å; F321-Y325 AromaticContact CZ-CG 3.95Å; F321-Y325 HydrophobicContact CZ-CG 3.95Å; F321-Y325 VanDerWaalsContact O-CB 3.28Å; F321-Y325 WeakPolarHBondContact O-CB 3.08Å; F321-Y325 PolarHBondContact O-N 2.93Å; L322-Y325 PolarHBondContact O-N 2.63Å
326	C	88.1	Confident	90.8	Very high	6 Å²	6	23.3 Å²	23.3	4%	0.041	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-28.1	-173.9	-65	0	0	0	0	112.9	C215 L322 N328 S329 I330	C215-C326 HydrophobicContact CB-CB 3.63Å; C215-C326 WeakPolarHBondContact CB-SG 3.01Å; C215-C326 WeakPolarHBondContact SG-CB 3.17Å; C215-C326 CovalentContact SG-SG 2.04Å; C215-C326 PolarHBondContact SG-SG 3.33Å; L322-C326 HydrophobicContact CD2-CB 4.5Å; L322-C326 WeakPolarHBondContact O-CA 3.49Å; L322-C326 WeakPolarHBondContact O-CB 3.34Å; L322-C326 PolarHBondContact O-N 3.46Å; C326-N328 PolarHBondContact O-N 3.27Å; C326-S329 VanDerWaalsContact O-CB 3.28Å; C326-S329 WeakPolarHBondContact O-CB 3.33Å; C326-S329 PolarHBondContact O-N 3.25Å; C326-S329 VanDerWaalsContact O-N 3.12Å; C326-S329 PolarHBondContact O-OG 3.14Å; C326-I330 HydrophobicContact CB-CD1 3.44Å; C326-I330 VanDerWaalsContact CB-CD1 3.44Å; C326-I330 HydrophobicContact CB-CG1 4.03Å
327	K	83	Confident	90.6	Very high	146 Å²	146	24.1 Å²	24.1	64%	0.635	12%	0.118	S	C	*	.	G	3₁₀ helix	trans	46.9	-138.7	-173.8	-56.3	176.8	-178.7	174.1	0	109.7	L322 S329 F422	L322-K327 PolarHBondContact O-N 2.91Å; K327-S329 PolarHBondContact O-N 3.23Å; K327-S329 VanDerWaalsContact O-N 3.16Å; K327-F422 VanDerWaalsContact C-CE1 3.48Å; K327-F422 WeakPolarHBondContact O-CD1 3.05Å; K327-F422 WeakPolarHBondContact O-CE1 3.39Å; K327-F422 WeakPolarHBondContact O-CE2 3.07Å; K327-F422 WeakPolarHBondContact O-CZ 3.25Å
328	N	81.2	Confident	90.3	Very high	135 Å²	135	26.3 Å²	26.3	72%	0.722	13%	0.128	S	C	*	.	G	3₁₀ helix	trans	-83.7	20.4	-176.8	-58.4	-21.7	0	0	0	114.6	C326 I330	C326-N328 PolarHBondContact O-N 3.27Å; N328-I330 PolarHBondContact O-N 3.23Å
329	S	87.5	Confident	89.7	Confident	29 Å²	29	28.6 Å²	28.6	20%	0.203	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-77.6	-5.5	178.4	62	0	0	0	0	113.8	C215 K219 T220 C326 K327	C215-S329 WeakPolarHBondContact CB-OG 3.34Å; K219-S329 CarbonylContact C-O 3.53Å; K219-S329 WeakPolarHBondContact CA-O 3.45Å; K219-S329 VanDerWaalsContact CG-O 3.26Å; K219-S329 WeakPolarHBondContact CG-O 3.46Å; T220-S329 PolarHBondContact N-O 2.9Å; C326-S329 VanDerWaalsContact O-CB 3.28Å; C326-S329 WeakPolarHBondContact O-CB 3.33Å; C326-S329 PolarHBondContact O-N 3.25Å; C326-S329 VanDerWaalsContact O-N 3.12Å; C326-S329 PolarHBondContact O-OG 3.14Å; K327-S329 PolarHBondContact O-N 3.23Å; K327-S329 VanDerWaalsContact O-N 3.16Å
330	I	90.2	Very high	89.2	Confident	5 Å²	5	28.6 Å²	28.6	3%	0.026	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.2	-179.9	-56.4	159.6	0	0	0	110	C215 T220 L223 L322 C326 N328 F332 V333 F422	C215-I330 VanDerWaalsContact SG-CD1 3.59Å; T220-I330 CarbonylContact O-C 3.58Å; T220-I330 VanDerWaalsContact O-CA 3.25Å; T220-I330 WeakPolarHBondContact O-CA 3.26Å; L223-I330 HydrophobicContact CB-CD1 4.31Å; L223-I330 HydrophobicContact CB-CG2 3.99Å; L223-I330 HydrophobicContact CD2-CD1 3.6Å; L322-I330 HydrophobicContact CD1-CD1 4.48Å; L322-I330 HydrophobicContact CD2-CD1 4.22Å; C326-I330 HydrophobicContact CB-CD1 3.44Å; C326-I330 VanDerWaalsContact CB-CD1 3.44Å; C326-I330 HydrophobicContact CB-CG1 4.03Å; N328-I330 PolarHBondContact O-N 3.23Å; I330-F332 WeakPolarHBondContact CG2-O 3.38Å; I330-V333 HydrophobicContact CG2-CG2 3.89Å; I330-F422 HydrophobicContact CB-CB 4.44Å; I330-F422 HydrophobicContact CB-CD2 3.85Å; I330-F422 HydrophobicContact CB-CG 4.37Å; I330-F422 HydrophobicContact CD1-CD2 3.97Å; I330-F422 HydrophobicContact CD1-CE2 3.96Å; I330-F422 HydrophobicContact CG1-CD2 4.47Å; I330-F422 HydrophobicContact CG2-CD2 4.44Å; I330-F422 WeakPolarHBondContact O-CB 3.11Å
331	D	90.7	Very high	88.6	Confident	27 Å²	27	28 Å²	28	14%	0.144	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-61.8	168.5	-76.2	-39	0	0	0	111.4	K219 T220 N221 L355 L421 F422	K219-D331 VanDerWaalsContact CE-CG 3.43Å; K219-D331 WeakPolarHBondContact CE-OD1 3.37Å; K219-D331 VanDerWaalsContact CE-OD2 3.3Å; K219-D331 WeakPolarHBondContact CE-OD2 3.22Å; K219-D331 IonicContact NZ-OD1 2.63Å; K219-D331 PolarHBondContact NZ-OD1 2.67Å; K219-D331 IonicContact NZ-OD2 2.95Å; K219-D331 PolarHBondContact NZ-OD2 3.3Å; T220-D331 PolarHBondContact O-N 3.38Å; N221-D331 WeakPolarHBondContact O-CB 3.49Å; D331-L355 HydrophobicContact CB-CD1 4.35Å; D331-L355 HydrophobicContact CB-CD2 4.2Å; D331-L421 CarbonylContact O-C 3.6Å; D331-L421 WeakPolarHBondContact O-CA 3.34Å; D331-F422 PolarHBondContact O-N 3.42Å
332	F	93	Very high	87.9	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	145.5	-179.9	-73.8	-87.9	0	0	0	113.9	N221 L222 L223 I330 T351 K354 L355 Y376 L419 L420 L421	N221-F332 PolarHBondContact O-N 3.42Å; L222-F332 HydrophobicContact CD1-CB 3.87Å; L223-F332 PolarHBondContact N-O 3.27Å; I330-F332 WeakPolarHBondContact CG2-O 3.38Å; F332-T351 HydrophobicContact CB-CG2 4.24Å; F332-T351 HydrophobicContact CD1-CG2 4.35Å; F332-T351 HydrophobicContact CD2-CG2 3.83Å; F332-T351 HydrophobicContact CE2-CG2 4.22Å; F332-T351 HydrophobicContact CG-CG2 3.89Å; F332-K354 HydrophobicContact CZ-CB 3.83Å; F332-L355 HydrophobicContact CD2-CD2 4.31Å; F332-L355 HydrophobicContact CD2-CG 4.49Å; F332-L355 HydrophobicContact CE2-CD1 4.38Å; F332-L355 HydrophobicContact CE2-CD2 3.54Å; F332-L355 HydrophobicContact CE2-CG 3.69Å; F332-L355 HydrophobicContact CZ-CD2 4.3Å; F332-Y376 HydrophobicContact CE1-CD2 4.35Å; F332-Y376 AromaticContact CE1-CE2 3.78Å; F332-Y376 HydrophobicContact CE1-CE2 3.78Å; F332-L419 HydrophobicContact CB-CD1 3.89Å; F332-L419 HydrophobicContact CD1-CD1 4.03Å; F332-L419 HydrophobicContact CD1-CD2 3.89Å; F332-L419 HydrophobicContact CD1-CG 3.82Å; F332-L419 HydrophobicContact CE1-CD2 4.2Å; F332-L419 HydrophobicContact CG-CD1 4.3Å; F332-L420 CarbonylContact C-O 3.55Å; F332-L420 WeakPolarHBondContact CA-O 3.37Å; F332-L421 HydrophobicContact CD1-CD2 3.98Å; F332-L421 HydrophobicContact CD1-CG 4.31Å; F332-L421 HydrophobicContact CD2-CD2 4.27Å; F332-L421 HydrophobicContact CE1-CD2 3.46Å; F332-L421 VanDerWaalsContact CE1-CD2 3.46Å; F332-L421 HydrophobicContact CE1-CG 3.77Å; F332-L421 HydrophobicContact CE2-CD2 3.77Å; F332-L421 HydrophobicContact CG-CD2 4.37Å; F332-L421 HydrophobicContact CZ-CD2 3.34Å; F332-L421 HydrophobicContact CZ-CG 4.1Å
333	V	95.1	Very high	87.1	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122.3	172.3	-176.1	0	0	0	0	108.8	L223 I225 L322 I330 F335 L419 L420 F422 M425	L223-V333 WeakPolarHBondContact O-CA 3.22Å; I225-V333 HydrophobicContact CD1-CG1 3.67Å; I225-V333 HydrophobicContact CG1-CG1 4.08Å; L322-V333 HydrophobicContact CD1-CG1 4.07Å; L322-V333 HydrophobicContact CD1-CG2 4.17Å; I330-V333 HydrophobicContact CG2-CG2 3.89Å; V333-F335 HydrophobicContact CB-CE2 4.43Å; V333-F335 HydrophobicContact CG1-CD2 4.14Å; V333-F335 HydrophobicContact CG1-CE2 3.6Å; V333-F335 HydrophobicContact CG1-CZ 3.87Å; V333-L419 WeakPolarHBondContact O-CA 3.31Å; V333-L420 PolarHBondContact N-O 2.92Å; V333-L420 PolarHBondContact O-N 3.23Å; V333-F422 HydrophobicContact CG2-CD2 4.09Å; V333-M425 HydrophobicContact CG2-SD 4.36Å
334	L	95.1	Very high	86.3	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	120.6	176.4	174.3	62.5	0	0	0	109.8	L222 L223 I224 I225 I336 L347 L419 F485	L222-L334 HydrophobicContact CD1-CB 3.96Å; L223-L334 PolarHBondContact O-N 3.33Å; I224-L334 HydrophobicContact CD1-CD2 4.47Å; I224-L334 HydrophobicContact CG1-CB 4.49Å; I224-L334 HydrophobicContact CG1-CD2 4.22Å; I224-L334 HydrophobicContact CG2-CD2 4.26Å; I225-L334 PolarHBondContact N-O 2.85Å; L334-I336 HydrophobicContact CD1-CG2 3.82Å; L334-I336 HydrophobicContact CD2-CG2 4.08Å; L334-I336 HydrophobicContact CG-CG2 3.79Å; L334-L347 HydrophobicContact CD2-CD1 3.99Å; L334-L347 HydrophobicContact CD2-CD2 4.4Å; L334-L419 HydrophobicContact CB-CD1 3.78Å; L334-L419 HydrophobicContact CD1-CB 4.09Å; L334-L419 HydrophobicContact CD1-CD1 4.32Å; L334-F485 HydrophobicContact CD1-CE1 4.43Å; L334-F485 HydrophobicContact CD1-CZ 4.03Å; L334-F485 HydrophobicContact CD2-CE1 4.12Å; L334-F485 HydrophobicContact CD2-CZ 4.34Å
335	F	95.3	Very high	85.5	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	118	173	-68.1	-86.4	0	0	0	110.1	I225 F227 H315 A318 V333 G417 F418 L420	I225-F335 HydrophobicContact CB-CD1 3.97Å; I225-F335 HydrophobicContact CB-CE1 4.28Å; I225-F335 HydrophobicContact CD1-CD1 4.13Å; I225-F335 HydrophobicContact CD1-CE1 3.56Å; I225-F335 HydrophobicContact CD1-CZ 3.91Å; I225-F335 HydrophobicContact CG1-CE1 4.44Å; I225-F335 HydrophobicContact CG2-CD1 4.07Å; I225-F335 HydrophobicContact CG2-CE1 4.26Å; F227-F335 HydrophobicContact CE2-CB 4.26Å; F227-F335 AromaticContact CE2-CD1 3.74Å; F227-F335 HydrophobicContact CE2-CD1 3.74Å; F227-F335 HydrophobicContact CE2-CG 4.49Å; F227-F335 AromaticContact CZ-CD1 3.62Å; F227-F335 HydrophobicContact CZ-CD1 3.62Å; F227-F335 HydrophobicContact CZ-CE1 4.14Å; H315-F335 AromaticContact CD2-CD1 3.81Å; A318-F335 HydrophobicContact CB-CE1 4.32Å; V333-F335 HydrophobicContact CB-CE2 4.43Å; V333-F335 HydrophobicContact CG1-CD2 4.14Å; V333-F335 HydrophobicContact CG1-CE2 3.6Å; V333-F335 HydrophobicContact CG1-CZ 3.87Å; F335-G417 CarbonylContact O-C 3.53Å; F335-G417 WeakPolarHBondContact O-CA 3.17Å; F335-F418 HydrophobicContact CB-CD1 4.04Å; F335-F418 HydrophobicContact CB-CE1 3.65Å; F335-F418 HydrophobicContact CB-CE2 4.35Å; F335-F418 HydrophobicContact CB-CZ 3.83Å; F335-F418 HydrophobicContact CD2-CD2 4.17Å; F335-F418 HydrophobicContact CD2-CE1 4.25Å; F335-F418 AromaticContact CD2-CE2 3.47Å; F335-F418 HydrophobicContact CD2-CE2 3.47Å; F335-F418 VanDerWaalsContact CD2-CE2 3.47Å; F335-F418 AromaticContact CD2-CZ 3.53Å; F335-F418 HydrophobicContact CD2-CZ 3.53Å; F335-F418 HydrophobicContact CE2-CE2 4.07Å; F335-F418 HydrophobicContact CE2-CZ 4.22Å; F335-F418 HydrophobicContact CG-CE1 4.1Å; F335-F418 HydrophobicContact CG-CE2 4.16Å; F335-F418 AromaticContact CG-CZ 3.75Å; F335-F418 HydrophobicContact CG-CZ 3.75Å; F335-F418 PolarHBondContact N-O 3.2Å; F335-F418 PolarHBondContact O-N 3.2Å; F335-L420 HydrophobicContact CE2-CD1 4.35Å
336	I	91.9	Very high	84.8	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	159.1	178.7	55.4	168.2	0	0	0	112.2	I224 I225 T226 F227 W243 L334 L340 P342 F485	I224-I336 HydrophobicContact CG2-CD1 3.56Å; I224-I336 HydrophobicContact CG2-CG1 3.81Å; I225-I336 PolarHBondContact O-N 2.63Å; T226-I336 WeakPolarHBondContact CA-O 3.3Å; F227-I336 PolarHBondContact N-O 2.94Å; W243-I336 HydrophobicContact CH2-CD1 3.75Å; W243-I336 HydrophobicContact CZ2-CD1 4.34Å; W243-I336 HydrophobicContact CZ3-CD1 4.37Å; L334-I336 HydrophobicContact CD1-CG2 3.82Å; L334-I336 HydrophobicContact CD2-CG2 4.08Å; L334-I336 HydrophobicContact CG-CG2 3.79Å; I336-L340 HydrophobicContact CB-CD1 4.21Å; I336-L340 HydrophobicContact CG2-CD1 4.24Å; I336-P342 HydrophobicContact CD1-CG 4.14Å; I336-F485 HydrophobicContact CG2-CD1 4.45Å; I336-F485 HydrophobicContact CG2-CE1 3.83Å; I336-F485 HydrophobicContact CG2-CZ 4.4Å
337	N	87.4	Confident	84.3	Confident	27 Å²	27	25 Å²	25	14%	0.144	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	156.3	169.4	-65.4	-16.6	0	0	0	110.8	Y311 D339 L340	Y311-N337 PolarHBondContact OH-OD1 2.93Å; N337-D339 WeakPolarHBondContact CB-OD1 3.33Å; N337-D339 PolarHBondContact O-N 2.94Å; N337-L340 HydrophobicContact CB-CG 4.45Å; N337-L340 PolarHBondContact O-N 2.99Å
338	H	86.4	Confident	84	Confident	46 Å²	46	18.5 Å²	18.5	21%	0.213	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.7	177.7	61.7	-92.1	0	0	0	114.3	T226 F227 T235 I239 L340 S489	T226-H338 HydrophobicContact CG2-CB 3.77Å; F227-H338 PolarHBondContact O-ND1 3.21Å; T235-H338 HydrophobicContact CG2-CB 3.94Å; I239-H338 HydrophobicContact CD1-CB 4.21Å; H338-L340 VanDerWaalsContact C-N 3.33Å; H338-S489 PolarHBondContact O-OG 3.44Å; H338-S489 VanDerWaalsContact O-OG 3.04Å
339	D	81.7	Confident	83.7	Confident	48 Å²	48	16.8 Å²	16.8	26%	0.257	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	1.3	178.1	71.9	-38.2	0	0	0	113.9	N337 K488 S489 V490	N337-D339 WeakPolarHBondContact CB-OD1 3.33Å; N337-D339 PolarHBondContact O-N 2.94Å; D339-K488 PolarHBondContact O-N 3.44Å; D339-S489 WeakPolarHBondContact CA-OG 3.3Å; D339-S489 WeakPolarHBondContact O-CB 3.48Å; D339-S489 PolarHBondContact O-N 3.12Å; D339-S489 VanDerWaalsContact O-N 3.1Å; D339-S489 PolarHBondContact O-OG 2.94Å; D339-V490 HydrophobicContact CB-CG2 4.21Å
340	L	82.2	Confident	83.3	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	145.1	175.2	-61.3	179.9	0	0	0	111.8	I336 N337 H338 T415 F486 Q487 S489	I336-L340 HydrophobicContact CB-CD1 4.21Å; I336-L340 HydrophobicContact CG2-CD1 4.24Å; N337-L340 HydrophobicContact CB-CG 4.45Å; N337-L340 PolarHBondContact O-N 2.99Å; H338-L340 VanDerWaalsContact C-N 3.33Å; L340-T415 WeakPolarHBondContact CD2-O 3.44Å; L340-F486 CarbonylContact C-O 3.26Å; L340-F486 WeakPolarHBondContact CA-O 3Å; L340-Q487 HydrophobicContact CD2-CG 3.9Å; L340-S489 PolarHBondContact N-OG 3.35Å
341	F	79.9	Confident	83	Confident	1 Å²	1	15.4 Å²	15.4	0%	0.004	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	113	167.9	-175.7	-114	0	0	0	109.8	W243 L470 F485 F486 W497 V500 F501	W243-F341 HydrophobicContact CB-CD2 4.02Å; W243-F341 HydrophobicContact CB-CE2 3.44Å; W243-F341 VanDerWaalsContact CB-CE2 3.44Å; W243-F341 HydrophobicContact CB-CZ 4.19Å; W243-F341 AromaticContact CD1-CD2 3.11Å; W243-F341 AromaticContact CD1-CE2 3.28Å; W243-F341 HydrophobicContact CD2-CD2 4.44Å; W243-F341 AromaticContact CG-CD2 3.58Å; W243-F341 HydrophobicContact CG-CD2 3.58Å; W243-F341 AromaticContact CG-CE2 3.52Å; W243-F341 HydrophobicContact CG-CE2 3.52Å; W243-F341 AromaticContact NE1-CD2 3.65Å; F341-L470 HydrophobicContact CB-CD1 4.49Å; F341-L470 HydrophobicContact CD1-CD1 4.13Å; F341-L470 HydrophobicContact CG-CD1 4.44Å; F341-F485 CarbonylContact O-C 3.52Å; F341-F485 VanDerWaalsContact O-CA 3.24Å; F341-F485 WeakPolarHBondContact O-CA 3.49Å; F341-F486 HydrophobicContact CB-CB 4.06Å; F341-F486 HydrophobicContact CB-CD2 4.43Å; F341-F486 HydrophobicContact CD1-CB 4.5Å; F341-F486 AromaticContact CD1-CD2 3.54Å; F341-F486 HydrophobicContact CD1-CD2 3.54Å; F341-F486 AromaticContact CD1-CE2 4Å; F341-F486 HydrophobicContact CD1-CE2 4Å; F341-F486 HydrophobicContact CD1-CG 4.31Å; F341-F486 HydrophobicContact CE1-CD2 4.33Å; F341-F486 HydrophobicContact CE1-CE2 4.35Å; F341-F486 HydrophobicContact CG-CD2 4.46Å; F341-F486 PolarHBondContact N-O 3.09Å; F341-F486 PolarHBondContact O-N 3.33Å; F341-W497 HydrophobicContact CB-CH2 3.75Å; F341-W497 HydrophobicContact CB-CZ3 3.81Å; F341-W497 HydrophobicContact CD1-CZ3 4.12Å; F341-W497 AromaticContact CD2-CE3 3.81Å; F341-W497 HydrophobicContact CD2-CE3 3.81Å; F341-W497 AromaticContact CD2-CH2 3.48Å; F341-W497 HydrophobicContact CD2-CH2 3.48Å; F341-W497 VanDerWaalsContact CD2-CH2 3.48Å; F341-W497 AromaticContact CD2-CZ3 2.98Å; F341-W497 HydrophobicContact CD2-CZ3 2.98Å; F341-W497 HydrophobicContact CE1-CZ3 4.46Å; F341-W497 AromaticContact CE2-CE3 3.69Å; F341-W497 HydrophobicContact CE2-CE3 3.69Å; F341-W497 HydrophobicContact CE2-CH2 4.22Å; F341-W497 AromaticContact CE2-CZ3 3.33Å; F341-W497 HydrophobicContact CE2-CZ3 3.33Å; F341-W497 HydrophobicContact CG-CE3 4.48Å; F341-W497 AromaticContact CG-CH2 3.84Å; F341-W497 HydrophobicContact CG-CH2 3.84Å; F341-W497 AromaticContact CG-CZ3 3.4Å; F341-W497 HydrophobicContact CG-CZ3 3.4Å; F341-W497 HydrophobicContact CZ-CE3 4.38Å; F341-W497 HydrophobicContact CZ-CZ3 4.1Å; F341-V500 HydrophobicContact CE1-CG1 4.18Å; F341-F501 HydrophobicContact CZ-CD2 4.17Å
342	P	79.2	Confident	82.6	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	129.5	172	27.6	-29.9	0	0	0	110.8	I224 W243 I336 L344 L347 F485	I224-P342 HydrophobicContact CD1-CG 4.25Å; W243-P342 HydrophobicContact CD2-CG 3.79Å; W243-P342 HydrophobicContact CE3-CG 3.45Å; W243-P342 VanDerWaalsContact CE3-CG 3.45Å; W243-P342 HydrophobicContact CH2-CG 4.09Å; W243-P342 HydrophobicContact CZ2-CG 4.38Å; W243-P342 HydrophobicContact CZ3-CG 3.62Å; I336-P342 HydrophobicContact CD1-CG 4.14Å; P342-L344 HydrophobicContact CB-CD2 4.06Å; P342-L344 HydrophobicContact CG-CD2 3.93Å; P342-L344 PolarHBondContact O-N 2.88Å; P342-L347 HydrophobicContact CB-CD1 3.27Å; P342-F485 HydrophobicContact CB-CD1 4.34Å; P342-F485 HydrophobicContact CB-CE1 4.18Å
343	N	75.2	Confident	81.9	Confident	13 Å²	13	18.3 Å²	18.3	7%	0.07	10%	0.096	C	C	.	.			trans	-75.6	92.4	165.8	-170.7	-21.1	0	0	0	109	N345 V346 L347 Y483 L484 F486	N343-N345 PolarHBondContact O-N 2.89Å; N343-V346 HydrophobicContact CB-CB 4.22Å; N343-V346 HydrophobicContact CB-CG2 4.15Å; N343-V346 WeakPolarHBondContact ND2-CG2 3.45Å; N343-V346 PolarHBondContact O-N 3.41Å; N343-V346 WeakPolarHBondContact OD1-CG2 3.2Å; N343-L347 PolarHBondContact O-N 3.12Å; N343-Y483 WeakPolarHBondContact CB-O 3.44Å; N343-Y483 PolarHBondContact ND2-O 3.47Å; N343-L484 PolarHBondContact N-O 3.25Å; N343-F486 HydrophobicContact CB-CE2 4.09Å
344	L	76.1	Confident	81.4	Confident	7 Å²	7	19 Å²	19	4%	0.037	10%	0.099	C	C	.	.	H	α-helix	trans	-59.8	-43.1	-169.4	-64.6	179.9	0	0	0	112.9	I224 W243 V246 P342 V346 L347 I348 F501	I224-L344 HydrophobicContact CD1-CD2 3.55Å; W243-L344 HydrophobicContact CB-CD1 4.19Å; W243-L344 WeakPolarHBondContact O-CD1 3.26Å; V246-L344 HydrophobicContact CB-CD1 3.83Å; V246-L344 HydrophobicContact CG1-CD1 3.95Å; V246-L344 HydrophobicContact CG2-CD1 3.66Å; P342-L344 HydrophobicContact CB-CD2 4.06Å; P342-L344 HydrophobicContact CG-CD2 3.93Å; P342-L344 PolarHBondContact O-N 2.88Å; L344-V346 PolarHBondContact O-N 3.16Å; L344-L347 PolarHBondContact O-N 3.36Å; L344-I348 WeakPolarHBondContact O-CB 3.35Å; L344-I348 WeakPolarHBondContact O-CD1 3.28Å; L344-I348 WeakPolarHBondContact O-CG1 3.3Å; L344-I348 PolarHBondContact O-N 2.79Å; L344-F501 HydrophobicContact CD1-CE2 4.28Å
345	N	69.5	Low	80.8	Confident	32 Å²	32	21 Å²	21	17%	0.171	11%	0.11	C	C	.	.	H	α-helix	trans	-55.7	-42.7	178.7	-81.1	11.5	0	0	0	111.7	N343 Q349 T504 S507	N343-N345 PolarHBondContact O-N 2.89Å; N345-Q349 VanDerWaalsContact O-CG 3.27Å; N345-Q349 WeakPolarHBondContact O-CG 3.4Å; N345-Q349 PolarHBondContact O-N 3.14Å; N345-T504 PolarHBondContact ND2-O 3.24Å; N345-S507 PolarHBondContact ND2-OXT 3.38Å
346	V	71.9	Confident	80.1	Confident	9 Å²	9	24.6 Å²	24.6	6%	0.055	14%	0.135	C	C	.	.	H	α-helix	trans	-73.1	-43.4	-178.7	178.8	0	0	0	0	111.1	N343 L344 I348 Q349 Y350 W461 W465 L484	N343-V346 HydrophobicContact CB-CB 4.22Å; N343-V346 HydrophobicContact CB-CG2 4.15Å; N343-V346 WeakPolarHBondContact ND2-CG2 3.45Å; N343-V346 PolarHBondContact O-N 3.41Å; N343-V346 WeakPolarHBondContact OD1-CG2 3.2Å; L344-V346 PolarHBondContact O-N 3.16Å; V346-I348 VanDerWaalsContact C-N 3.28Å; V346-I348 PolarHBondContact O-N 2.99Å; V346-Q349 PolarHBondContact O-N 3.22Å; V346-Y350 VanDerWaalsContact O-CB 3.3Å; V346-Y350 WeakPolarHBondContact O-CB 3.43Å; V346-Y350 PolarHBondContact O-N 2.99Å; V346-W461 HydrophobicContact CG1-CZ3 4.36Å; V346-W465 HydrophobicContact CB-CH2 3.66Å; V346-W465 HydrophobicContact CB-CZ2 4.31Å; V346-W465 HydrophobicContact CB-CZ3 3.9Å; V346-W465 HydrophobicContact CG1-CD2 4.24Å; V346-W465 HydrophobicContact CG1-CE3 3.9Å; V346-W465 HydrophobicContact CG1-CH2 3.09Å; V346-W465 HydrophobicContact CG1-CZ2 3.32Å; V346-W465 HydrophobicContact CG1-CZ3 3.38Å; V346-W465 HydrophobicContact CG2-CH2 3.1Å; V346-W465 HydrophobicContact CG2-CZ2 4.08Å; V346-W465 HydrophobicContact CG2-CZ3 3.46Å; V346-W465 VanDerWaalsContact CG2-CZ3 3.46Å; V346-L484 HydrophobicContact CB-CD1 4.17Å; V346-L484 HydrophobicContact CG1-CD1 3.51Å
347	L	78.5	Confident	79.5	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.7	-40.7	176.8	-79.6	163.3	0	0	0	111.2	L222 L334 P342 N343 L344 Y350 T351 L484 F485	L222-L347 HydrophobicContact CD2-CB 4.28Å; L334-L347 HydrophobicContact CD2-CD1 3.99Å; L334-L347 HydrophobicContact CD2-CD2 4.4Å; P342-L347 HydrophobicContact CB-CD1 3.27Å; N343-L347 PolarHBondContact O-N 3.12Å; L344-L347 PolarHBondContact O-N 3.36Å; L347-Y350 WeakPolarHBondContact O-CB 3.38Å; L347-Y350 PolarHBondContact O-N 3.5Å; L347-T351 WeakPolarHBondContact O-CG2 3.08Å; L347-T351 PolarHBondContact O-N 2.95Å; L347-T351 PolarHBondContact O-OG1 3.4Å; L347-T351 VanDerWaalsContact O-OG1 3.04Å; L347-L484 HydrophobicContact CD2-CD1 3.63Å; L347-L484 HydrophobicContact CD2-CD2 4.2Å; L347-L484 HydrophobicContact CD2-CG 3.96Å; L347-L484 HydrophobicContact CG-CD1 3.69Å; L347-L484 HydrophobicContact CG-CG 4.25Å; L347-F485 HydrophobicContact CD1-CE1 4.22Å; L347-F485 HydrophobicContact CD2-CZ 4.16Å
348	I	77.1	Confident	79	Confident	10 Å²	10	29.8 Å²	29.8	5%	0.051	16%	0.16	C	C	.	.	H	α-helix	trans	-62.7	-49.4	175.6	-66.9	162.4	0	0	0	110.7	L250 N264 I266 L344 V346 Y350 T351 N352	L250-I348 HydrophobicContact CD1-CD1 4.31Å; N264-I348 VanDerWaalsContact ND2-CG2 3.31Å; N264-I348 WeakPolarHBondContact ND2-CG2 3.49Å; I266-I348 HydrophobicContact CD1-CD1 3.5Å; I266-I348 VanDerWaalsContact CD1-CD1 3.5Å; I266-I348 HydrophobicContact CD1-CG1 3.65Å; L344-I348 WeakPolarHBondContact O-CB 3.35Å; L344-I348 WeakPolarHBondContact O-CD1 3.28Å; L344-I348 WeakPolarHBondContact O-CG1 3.3Å; L344-I348 PolarHBondContact O-N 2.79Å; V346-I348 VanDerWaalsContact C-N 3.28Å; V346-I348 PolarHBondContact O-N 2.99Å; I348-Y350 VanDerWaalsContact C-N 3.25Å; I348-Y350 PolarHBondContact O-N 3.09Å; I348-T351 WeakPolarHBondContact CA-OG1 3.31Å; I348-T351 PolarHBondContact O-N 3.29Å; I348-T351 PolarHBondContact O-OG1 2.99Å; I348-T351 VanDerWaalsContact O-OG1 3.06Å; I348-N352 WeakPolarHBondContact CG2-ND2 3.41Å; I348-N352 WeakPolarHBondContact O-CB 3.26Å; I348-N352 PolarHBondContact O-N 2.57Å; I348-N352 PolarHBondContact O-ND2 3.42Å; I348-N352 PolarHBondContact O-OD1 2.04Å
349	Q	73.9	Confident	78.4	Confident	98 Å²	98	30.7 Å²	30.7	46%	0.458	17%	0.171	S	C	.	.	H	α-helix	trans	-57.4	-42.7	176.3	-73	172.8	1.5	0	0	111.1	N345 V346 S353 W461	N345-Q349 VanDerWaalsContact O-CG 3.27Å; N345-Q349 WeakPolarHBondContact O-CG 3.4Å; N345-Q349 PolarHBondContact O-N 3.14Å; V346-Q349 PolarHBondContact O-N 3.22Å; Q349-S353 VanDerWaalsContact O-CB 3.24Å; Q349-S353 WeakPolarHBondContact O-CB 3.41Å; Q349-S353 PolarHBondContact O-N 2.99Å; Q349-W461 HydrophobicContact CB-CH2 3.98Å; Q349-W461 HydrophobicContact CB-CZ3 4.38Å
350	Y	79.6	Confident	77.6	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-63.2	-52.2	177.7	-179.3	-93.3	0	0	0	112	V346 L347 I348 N352 S353 K354 Y376 L419 Y460 W461	V346-Y350 VanDerWaalsContact O-CB 3.3Å; V346-Y350 WeakPolarHBondContact O-CB 3.43Å; V346-Y350 PolarHBondContact O-N 2.99Å; L347-Y350 WeakPolarHBondContact O-CB 3.38Å; L347-Y350 PolarHBondContact O-N 3.5Å; I348-Y350 VanDerWaalsContact C-N 3.25Å; I348-Y350 PolarHBondContact O-N 3.09Å; Y350-N352 PolarHBondContact O-N 2.97Å; Y350-S353 PolarHBondContact O-N 3.33Å; Y350-K354 HydrophobicContact CD1-CG 4.35Å; Y350-K354 HydrophobicContact CE1-CG 3.9Å; Y350-K354 HydrophobicContact CE2-CG 4.46Å; Y350-K354 WeakPolarHBondContact O-CG 3.23Å; Y350-K354 PolarHBondContact O-N 3.5Å; Y350-K354 WeakPolarHBondContact OH-CE 3.39Å; Y350-Y376 HydrophobicContact CE1-CD1 4.31Å; Y350-Y376 HydrophobicContact CE1-CG 4.23Å; Y350-Y376 WeakPolarHBondContact OH-CD1 3.42Å; Y350-L419 HydrophobicContact CD1-CD2 3.95Å; Y350-L419 HydrophobicContact CE1-CD2 3.7Å; Y350-Y460 HydrophobicContact CE1-CD1 4.13Å; Y350-Y460 HydrophobicContact CE1-CE1 4.45Å; Y350-W461 AromaticContact CD2-CD1 3.83Å; Y350-W461 AromaticContact CD2-CD2 3.62Å; Y350-W461 HydrophobicContact CD2-CD2 3.62Å; Y350-W461 AromaticContact CD2-CE2 3.51Å; Y350-W461 HydrophobicContact CD2-CE3 4.15Å; Y350-W461 AromaticContact CD2-CG 3.86Å; Y350-W461 HydrophobicContact CD2-CG 3.86Å; Y350-W461 HydrophobicContact CD2-CZ2 4.01Å; Y350-W461 AromaticContact CD2-NE1 3.61Å; Y350-W461 AromaticContact CE2-CD1 3.75Å; Y350-W461 HydrophobicContact CE2-CD2 4.3Å; Y350-W461 HydrophobicContact CE2-CG 4.07Å; Y350-W461 AromaticContact CE2-NE1 3.8Å
351	T	83.9	Confident	76.4	Confident	3 Å²	3	33.9 Å²	33.9	2%	0.018	19%	0.192	C	C	.	.	H	α-helix	trans	-63.8	-40.6	-179.2	51.3	0	0	0	0	111.6	L222 F332 L347 I348 K354 L355 L419	L222-T351 HydrophobicContact CD1-CG2 4.38Å; F332-T351 HydrophobicContact CB-CG2 4.24Å; F332-T351 HydrophobicContact CD1-CG2 4.35Å; F332-T351 HydrophobicContact CD2-CG2 3.83Å; F332-T351 HydrophobicContact CE2-CG2 4.22Å; F332-T351 HydrophobicContact CG-CG2 3.89Å; L347-T351 WeakPolarHBondContact O-CG2 3.08Å; L347-T351 PolarHBondContact O-N 2.95Å; L347-T351 PolarHBondContact O-OG1 3.4Å; L347-T351 VanDerWaalsContact O-OG1 3.04Å; I348-T351 WeakPolarHBondContact CA-OG1 3.31Å; I348-T351 PolarHBondContact O-N 3.29Å; I348-T351 PolarHBondContact O-OG1 2.99Å; I348-T351 VanDerWaalsContact O-OG1 3.06Å; T351-K354 PolarHBondContact O-N 2.91Å; T351-L355 WeakPolarHBondContact O-CG 3.42Å; T351-L355 PolarHBondContact O-N 3.09Å; T351-L419 HydrophobicContact CG2-CD1 4.45Å; T351-L419 HydrophobicContact CG2-CD2 4.09Å
352	N	81.4	Confident	75.1	Confident	47 Å²	47	38 Å²	38	25%	0.251	22%	0.218	S	C	.	.	H	α-helix	trans	-65.9	-43.4	178	-64.9	-13	0	0	0	111.7	N264 I348 Y350 K354 L355 S356	N264-N352 PolarHBondContact ND2-ND2 3.03Å; N264-N352 PolarHBondContact ND2-OD1 3.09Å; I348-N352 WeakPolarHBondContact CG2-ND2 3.41Å; I348-N352 WeakPolarHBondContact O-CB 3.26Å; I348-N352 PolarHBondContact O-N 2.57Å; I348-N352 PolarHBondContact O-ND2 3.42Å; I348-N352 PolarHBondContact O-OD1 2.04Å; Y350-N352 PolarHBondContact O-N 2.97Å; N352-K354 VanDerWaalsContact C-N 3.26Å; N352-K354 PolarHBondContact O-N 3.17Å; N352-L355 PolarHBondContact O-N 3.09Å; N352-S356 WeakPolarHBondContact O-CB 3.37Å; N352-S356 PolarHBondContact O-N 3.23Å
353	S	79.9	Confident	73.6	Confident	41 Å²	41	45.5 Å²	45.5	29%	0.287	26%	0.257	S	S	.	.	H	α-helix	trans	-57.6	-42.7	173.7	179.7	0	0	0	0	110.8	Q349 Y350 S356 Q357	Q349-S353 VanDerWaalsContact O-CB 3.24Å; Q349-S353 WeakPolarHBondContact O-CB 3.41Å; Q349-S353 PolarHBondContact O-N 2.99Å; Y350-S353 PolarHBondContact O-N 3.33Å; S353-S356 PolarHBondContact O-N 3.23Å; S353-Q357 WeakPolarHBondContact O-CG 3.28Å; S353-Q357 PolarHBondContact O-N 3.41Å
354	K	83.8	Confident	72.4	Confident	14 Å²	14	52.8 Å²	52.8	6%	0.061	29%	0.288	C	S	.	.	H	α-helix	trans	-66.7	-41.8	176.1	-70.8	-64	176.6	-173	0	113.7	F332 Y350 T351 N352 S356 Q357 L358 Y376 E458	F332-K354 HydrophobicContact CZ-CB 3.83Å; Y350-K354 HydrophobicContact CD1-CG 4.35Å; Y350-K354 HydrophobicContact CE1-CG 3.9Å; Y350-K354 HydrophobicContact CE2-CG 4.46Å; Y350-K354 WeakPolarHBondContact O-CG 3.23Å; Y350-K354 PolarHBondContact O-N 3.5Å; Y350-K354 WeakPolarHBondContact OH-CE 3.39Å; T351-K354 PolarHBondContact O-N 2.91Å; N352-K354 VanDerWaalsContact C-N 3.26Å; N352-K354 PolarHBondContact O-N 3.17Å; K354-S356 VanDerWaalsContact C-N 3.31Å; K354-S356 PolarHBondContact O-N 3.4Å; K354-Q357 VanDerWaalsContact NZ-OE1 3.09Å; K354-Q357 PolarHBondContact O-N 3.1Å; K354-L358 WeakPolarHBondContact O-CB 3.49Å; K354-L358 WeakPolarHBondContact O-CD1 3.16Å; K354-L358 WeakPolarHBondContact O-CG 3.13Å; K354-L358 PolarHBondContact O-N 3.08Å; K354-Y376 HydrophobicContact CD-CE1 3.94Å; K354-Y376 HydrophobicContact CG-CE1 4.35Å; K354-E458 VanDerWaalsContact CE-OE1 3.32Å; K354-E458 WeakPolarHBondContact CE-OE1 3.4Å; K354-E458 IonicContact NZ-OE1 2.55Å; K354-E458 PolarHBondContact NZ-OE1 2.96Å; K354-E458 IonicContact NZ-OE2 3.05Å; K354-E458 PolarHBondContact NZ-OE2 3.33Å
355	L	82.7	Confident	71	Confident	44 Å²	44	56.5 Å²	56.5	23%	0.23	31%	0.305	C	S	.	.	H	α-helix	trans	-58.9	-45.1	173.5	-69.6	176.6	0	0	0	111.4	D331 F332 T351 N352 L358 S359 L421	D331-L355 HydrophobicContact CB-CD1 4.35Å; D331-L355 HydrophobicContact CB-CD2 4.2Å; F332-L355 HydrophobicContact CD2-CD2 4.31Å; F332-L355 HydrophobicContact CD2-CG 4.49Å; F332-L355 HydrophobicContact CE2-CD1 4.38Å; F332-L355 HydrophobicContact CE2-CD2 3.54Å; F332-L355 HydrophobicContact CE2-CG 3.69Å; F332-L355 HydrophobicContact CZ-CD2 4.3Å; T351-L355 WeakPolarHBondContact O-CG 3.42Å; T351-L355 PolarHBondContact O-N 3.09Å; N352-L355 PolarHBondContact O-N 3.09Å; L355-L358 PolarHBondContact O-N 3.27Å; L355-S359 WeakPolarHBondContact O-CB 3.01Å; L355-S359 PolarHBondContact O-N 2.97Å; L355-S359 PolarHBondContact O-OG 3Å; L355-L421 HydrophobicContact CD2-CD2 4.46Å
356	S	80.5	Confident	69.6	Low	74 Å²	74	62.8 Å²	62.8	52%	0.517	34%	0.339	S	S	.	.	H	α-helix	trans	-63.9	-41.1	179.2	-179.7	0	0	0	0	112.5	N352 S353 K354 L358 S359 S360	N352-S356 WeakPolarHBondContact O-CB 3.37Å; N352-S356 PolarHBondContact O-N 3.23Å; S353-S356 PolarHBondContact O-N 3.23Å; K354-S356 VanDerWaalsContact C-N 3.31Å; K354-S356 PolarHBondContact O-N 3.4Å; S356-L358 VanDerWaalsContact C-N 3.35Å; S356-S359 PolarHBondContact O-OG 3.03Å; S356-S359 VanDerWaalsContact O-OG 3.12Å; S356-S360 WeakPolarHBondContact O-CB 3.39Å; S356-S360 PolarHBondContact O-N 3.44Å; S356-S360 PolarHBondContact O-OG 2.8Å
357	Q	78.6	Confident	67.9	Low	86 Å²	86	68.7 Å²	68.7	40%	0.402	37%	0.37	S	S	.	.	H	α-helix	trans	-62.6	-41.9	174	-74.5	176.8	-6.6	0	0	111.8	S353 K354 S360 N361	S353-Q357 WeakPolarHBondContact O-CG 3.28Å; S353-Q357 PolarHBondContact O-N 3.41Å; K354-Q357 VanDerWaalsContact NZ-OE1 3.09Å; K354-Q357 PolarHBondContact O-N 3.1Å; Q357-S360 PolarHBondContact O-OG 3.06Å; Q357-S360 VanDerWaalsContact O-OG 3.07Å; Q357-N361 WeakPolarHBondContact O-CB 3.38Å; Q357-N361 PolarHBondContact O-N 3.19Å; Q357-N361 VanDerWaalsContact O-N 3.14Å
358	L	77.7	Confident	66	Low	50 Å²	50	77.7 Å²	77.7	26%	0.262	41%	0.412	S	S	.	.	H	α-helix	trans	-70.1	-38.6	-179.6	-68.2	163.4	0	0	0	112.3	K354 L355 S356 T362 L421	K354-L358 WeakPolarHBondContact O-CB 3.49Å; K354-L358 WeakPolarHBondContact O-CD1 3.16Å; K354-L358 WeakPolarHBondContact O-CG 3.13Å; K354-L358 PolarHBondContact O-N 3.08Å; L355-L358 PolarHBondContact O-N 3.27Å; S356-L358 VanDerWaalsContact C-N 3.35Å; L358-T362 PolarHBondContact O-N 2.91Å; L358-T362 PolarHBondContact O-OG1 3.25Å; L358-L421 HydrophobicContact CD1-CD1 3.56Å; L358-L421 HydrophobicContact CD1-CD2 4.01Å; L358-L421 HydrophobicContact CD1-CG 4.31Å
359	S	72.7	Confident	64.2	Low	65 Å²	65	83.9 Å²	83.9	46%	0.455	45%	0.445	S	S	.	.	H	α-helix	trans	-74.3	-36.8	179.1	63.7	0	0	0	0	113.2	L355 S356 T362	L355-S359 WeakPolarHBondContact O-CB 3.01Å; L355-S359 PolarHBondContact O-N 2.97Å; L355-S359 PolarHBondContact O-OG 3Å; S356-S359 PolarHBondContact O-OG 3.03Å; S356-S359 VanDerWaalsContact O-OG 3.12Å; S359-T362 VanDerWaalsContact C-OG1 3.29Å; S359-T362 WeakPolarHBondContact CA-OG1 3.5Å; S359-T362 PolarHBondContact O-N 3.47Å; S359-T362 PolarHBondContact O-OG1 3.38Å
360	S	64.6	Low	63	Low	52 Å²	52	85.9 Å²	85.9	36%	0.364	46%	0.459	S	S	.	.	H	α-helix	trans	-68	-35.8	174.3	54.2	0	0	0	0	112.2	S356 Q357 L363	S356-S360 WeakPolarHBondContact O-CB 3.39Å; S356-S360 PolarHBondContact O-N 3.44Å; S356-S360 PolarHBondContact O-OG 2.8Å; Q357-S360 PolarHBondContact O-OG 3.06Å; Q357-S360 VanDerWaalsContact O-OG 3.07Å; S360-L363 PolarHBondContact O-N 3.07Å
361	N	57.5	Low	62.2	Low	63 Å²	63	89 Å²	89	34%	0.337	48%	0.476	S	S	.	.	H	α-helix	trans	-69.1	-32.7	176.3	-74.3	-2.4	0	0	0	112.4	Q357 L363 K364 Q365 N371	Q357-N361 WeakPolarHBondContact O-CB 3.38Å; Q357-N361 PolarHBondContact O-N 3.19Å; Q357-N361 VanDerWaalsContact O-N 3.14Å; N361-L363 PolarHBondContact O-N 3.24Å; N361-K364 PolarHBondContact O-N 3.37Å; N361-K364 VanDerWaalsContact O-N 3.08Å; N361-Q365 WeakPolarHBondContact O-CB 3.46Å; N361-Q365 WeakPolarHBondContact O-CG 3.04Å; N361-Q365 PolarHBondContact O-N 3.18Å; N361-N371 VanDerWaalsContact CB-ND2 3.31Å; N361-N371 WeakPolarHBondContact CB-ND2 3.44Å; N361-N371 PolarHBondContact ND2-OD1 2.75Å
362	T	53.7	Low	61.9	Low	89 Å²	89	92.1 Å²	92.1	55%	0.546	49%	0.492	S	S	.	.	H	α-helix	trans	-62.3	-26.4	173.3	33.1	0	0	0	0	113.5	L358 S359	L358-T362 PolarHBondContact O-N 2.91Å; L358-T362 PolarHBondContact O-OG1 3.25Å; S359-T362 VanDerWaalsContact C-OG1 3.29Å; S359-T362 WeakPolarHBondContact CA-OG1 3.5Å; S359-T362 PolarHBondContact O-N 3.47Å; S359-T362 PolarHBondContact O-OG1 3.38Å
363	L	47.5	Very low	62.3	Low	156 Å²	156	91.3 Å²	91.3	82%	0.817	49%	0.49	S	S	*	.	H	α-helix	trans	-80.2	-18.9	175.3	-70.3	165.7	0	0	0	113.3	S360 N361	S360-L363 PolarHBondContact O-N 3.07Å; N361-L363 PolarHBondContact O-N 3.24Å
364	K	50.4	Low	62.9	Low	166 Å²	166	90.1 Å²	90.1	72%	0.722	48%	0.481	S	S	*	.	H	α-helix	trans	-101.6	3	179.4	-67.3	-174.8	178.1	-177.8	0	113.6	N361 N366 N367	N361-K364 PolarHBondContact O-N 3.37Å; N361-K364 VanDerWaalsContact O-N 3.08Å; K364-N366 VanDerWaalsContact C-N 3.27Å; K364-N366 PolarHBondContact O-N 3.12Å; K364-N366 VanDerWaalsContact O-N 3.15Å; K364-N367 PolarHBondContact O-N 3.37Å
365	Q	44.9	Very low	63.3	Low	86 Å²	86	89.4 Å²	89.4	40%	0.402	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	15.7	-166.9	-99.9	174.3	3.3	0	0	116.6	N361 N367 N371	N361-Q365 WeakPolarHBondContact O-CB 3.46Å; N361-Q365 WeakPolarHBondContact O-CG 3.04Å; N361-Q365 PolarHBondContact O-N 3.18Å; Q365-N367 PolarHBondContact O-N 2.92Å; Q365-N371 PolarHBondContact NE2-ND2 2.88Å
366	N	41.3	Very low	63.7	Low	164 Å²	164	87.7 Å²	87.7	88%	0.877	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-6.6	160.6	-74.5	-8.2	0	0	0	112.8	K364	K364-N366 VanDerWaalsContact C-N 3.27Å; K364-N366 PolarHBondContact O-N 3.12Å; K364-N366 VanDerWaalsContact O-N 3.15Å
367	N	36.6	Very low	64.2	Low	133 Å²	133	84.1 Å²	84.1	71%	0.711	44%	0.444	S	S	*	.	S	Bend	trans	-128.6	96.1	176.4	-75.1	-26	0	0	0	112.4	K364 Q365 N369	K364-N367 PolarHBondContact O-N 3.37Å; Q365-N367 PolarHBondContact O-N 2.92Å; N367-N369 VanDerWaalsContact C-N 3.31Å; N367-N369 PolarHBondContact O-N 3.37Å
368	H	37	Very low	64.7	Low	188 Å²	188	82.5 Å²	82.5	87%	0.87	44%	0.437	S	S	*	.			trans	41.6	3.1	145.2	-94.5	-59.8	0	0	0	124.6	N370	H368-N370 PolarHBondContact O-N 3.32Å
369	N	40.5	Very low	65.3	Low	141 Å²	141	82 Å²	82	75%	0.754	44%	0.437	S	S	*	.			trans	-94.1	104.8	176	-86.1	-12.2	0	0	0	112.8	N367 N371	N367-N369 VanDerWaalsContact C-N 3.31Å; N367-N369 PolarHBondContact O-N 3.37Å; N369-N371 PolarHBondContact O-N 2.88Å
370	N	48.9	Very low	66.1	Low	139 Å²	139	80.7 Å²	80.7	74%	0.743	43%	0.425	S	S	*	.			trans	-48.7	100.3	171.2	-88.1	-23.2	0	0	0	112.2	H368 N372	H368-N370 PolarHBondContact O-N 3.32Å; N370-N372 PolarHBondContact O-N 2.82Å
371	N	62.7	Low	67.3	Low	68 Å²	68	83.4 Å²	83.4	36%	0.364	43%	0.434	S	S	.	.			trans	-76	79.4	157.4	-83	-2.9	0	0	0	107.9	N361 Q365 N369	N361-N371 VanDerWaalsContact CB-ND2 3.31Å; N361-N371 WeakPolarHBondContact CB-ND2 3.44Å; N361-N371 PolarHBondContact ND2-OD1 2.75Å; Q365-N371 PolarHBondContact NE2-ND2 2.88Å; N369-N371 PolarHBondContact O-N 2.88Å
372	N	76.9	Confident	68.6	Low	68 Å²	68	87.6 Å²	87.6	36%	0.364	45%	0.452	S	S	.	.			trans	-61.3	138.7	173.6	-77	-11	0	0	0	109.8	N370 S374 D456	N370-N372 PolarHBondContact O-N 2.82Å; N372-S374 PolarHBondContact O-N 3.49Å; N372-S374 PolarHBondContact O-OG 3.32Å; N372-D456 WeakPolarHBondContact CB-OD2 3.22Å; N372-D456 PolarHBondContact ND2-OD2 2.91Å
373	P	89.5	Confident	70.4	Confident	31 Å²	31	87.7 Å²	87.7	20%	0.201	45%	0.445	C	S	.	.			trans	-58.2	141.8	174.4	26.6	-33.6	0	0	0	109.5	T424 Q427 I455 D456	P373-T424 HydrophobicContact CB-CG2 3.8Å; P373-Q427 VanDerWaalsContact CB-OE1 3.32Å; P373-Q427 VanDerWaalsContact CG-OE1 3.31Å; P373-I455 HydrophobicContact CB-CG1 4.21Å; P373-I455 HydrophobicContact CG-CG1 4Å; P373-I455 CarbonylContact O-C 3.42Å; P373-I455 VanDerWaalsContact O-CA 3.25Å; P373-I455 WeakPolarHBondContact O-CA 3.44Å; P373-I455 WeakPolarHBondContact O-CG2 3.41Å; P373-D456 PolarHBondContact O-N 3.47Å
374	S	91.9	Very high	72.3	Confident	15 Å²	15	89.7 Å²	89.7	11%	0.105	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145.4	-173.7	-66.9	0	0	0	0	113.1	N372 D456	N372-S374 PolarHBondContact O-N 3.49Å; N372-S374 PolarHBondContact O-OG 3.32Å; S374-D456 CarbonylContact C-O 3.56Å; S374-D456 WeakPolarHBondContact CA-O 3.2Å
375	I	92.8	Very high	73.9	Confident	0 Å²	0	82.9 Å²	82.9	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	129.8	160.5	-73.2	170.4	0	0	0	107.9	C377 C411 F418 L420 R450 I455 D456 E458	I375-C377 HydrophobicContact CG2-CB 4.39Å; I375-C411 VanDerWaalsContact CG2-SG 3.51Å; I375-F418 HydrophobicContact CG2-CB 3.93Å; I375-F418 HydrophobicContact CG2-CD2 4.17Å; I375-F418 HydrophobicContact CG2-CG 4.44Å; I375-L420 HydrophobicContact CB-CD2 4.29Å; I375-L420 HydrophobicContact CD1-CD2 4.38Å; I375-L420 HydrophobicContact CG1-CD2 3.35Å; I375-L420 HydrophobicContact CG1-CG 4.07Å; I375-R450 HydrophobicContact CD1-CB 3.78Å; I375-R450 HydrophobicContact CD1-CG 3.7Å; I375-R450 HydrophobicContact CG1-CG 4.48Å; I375-I455 HydrophobicContact CB-CG2 4.48Å; I375-I455 HydrophobicContact CD1-CG2 4.36Å; I375-I455 HydrophobicContact CG1-CG2 3.87Å; I375-D456 PolarHBondContact N-O 2.88Å; I375-E458 PolarHBondContact O-N 3.18Å
376	Y	91.6	Very high	75.4	Confident	7 Å²	7	86.4 Å²	86.4	3%	0.027	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.7	175.6	-43.6	-89.6	0	0	0	110.3	F332 Y350 K354 L419 E458 Y460	F332-Y376 HydrophobicContact CE1-CD2 4.35Å; F332-Y376 AromaticContact CE1-CE2 3.78Å; F332-Y376 HydrophobicContact CE1-CE2 3.78Å; Y350-Y376 HydrophobicContact CE1-CD1 4.31Å; Y350-Y376 HydrophobicContact CE1-CG 4.23Å; Y350-Y376 WeakPolarHBondContact OH-CD1 3.42Å; K354-Y376 HydrophobicContact CD-CE1 3.94Å; K354-Y376 HydrophobicContact CG-CE1 4.35Å; Y376-L419 HydrophobicContact CD2-CB 4.39Å; Y376-L419 HydrophobicContact CD2-CD2 3.99Å; Y376-L419 HydrophobicContact CD2-CG 4.19Å; Y376-L419 WeakPolarHBondContact CD2-O 3.49Å; Y376-L419 HydrophobicContact CG-CD2 4.34Å; Y376-L419 PolarHBondContact N-O 3.15Å; Y376-L419 PolarHBondContact O-N 2.9Å; Y376-E458 VanDerWaalsContact CA-O 3.25Å; Y376-E458 WeakPolarHBondContact CA-O 3.11Å; Y376-E458 HydrophobicContact CD1-CB 3.77Å; Y376-E458 HydrophobicContact CD1-CG 4.13Å; Y376-E458 HydrophobicContact CE1-CB 4.15Å; Y376-E458 HydrophobicContact CE1-CG 4.44Å; Y376-E458 VanDerWaalsContact CE1-OE2 3.22Å; Y376-E458 WeakPolarHBondContact CE1-OE2 3.09Å; Y376-Y460 VanDerWaalsContact O-CZ 3.28Å; Y376-Y460 PolarHBondContact O-OH 3.03Å; Y376-Y460 VanDerWaalsContact O-OH 3.09Å
377	C	91.5	Very high	76.5	Confident	0 Å²	0	84.8 Å²	84.8	0%	0	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	-177.4	-178	66	0	0	0	0	112.3	I375 P379 C411 F418 E458 S459 Y460	I375-C377 HydrophobicContact CG2-CB 4.39Å; C377-P379 WeakPolarHBondContact O-CD 3.49Å; C377-C411 HydrophobicContact CB-CB 3.47Å; C377-C411 VanDerWaalsContact CB-CB 3.47Å; C377-C411 WeakPolarHBondContact CB-SG 3.41Å; C377-C411 VanDerWaalsContact SG-CA 3.5Å; C377-C411 WeakPolarHBondContact SG-CB 3.46Å; C377-C411 CovalentContact SG-SG 2.03Å; C377-C411 PolarHBondContact SG-SG 3.29Å; C377-F418 HydrophobicContact CB-CB 3.92Å; C377-E458 PolarHBondContact N-O 3.2Å; C377-S459 VanDerWaalsContact O-CA 3.23Å; C377-S459 WeakPolarHBondContact O-CA 3.47Å; C377-Y460 HydrophobicContact CB-CE2 4.49Å; C377-Y460 PolarHBondContact O-N 2.85Å
378	I	88.3	Confident	77.6	Confident	51 Å²	51	82 Å²	82	26%	0.262	40%	0.401	S	S	.	.			trans	-84.9	117.5	162.1	-62.4	177.8	0	0	0	108.4	D412 S416 Y460 I467	I378-D412 PolarHBondContact O-N 2.96Å; I378-S416 PolarHBondContact N-OG 3.49Å; I378-Y460 HydrophobicContact CG1-CD2 4.15Å; I378-I467 HydrophobicContact CD1-CD1 3.58Å; I378-I467 HydrophobicContact CD1-CG1 3.68Å
379	P	90.4	Very high	78.6	Confident	41 Å²	41	78.7 Å²	78.7	27%	0.266	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	139.9	-176.7	30.4	-34.3	0	0	0	112.6	C377 I381 T409 I457	C377-P379 WeakPolarHBondContact O-CD 3.49Å; P379-I381 HydrophobicContact CB-CG1 4.31Å; P379-T409 HydrophobicContact CB-CG2 4.39Å; P379-I457 HydrophobicContact CB-CG2 3.96Å
380	I	90.4	Very high	79.2	Confident	37 Å²	37	78.5 Å²	78.5	19%	0.19	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	113.9	164.9	-61.5	174.6	0	0	0	107.5	K383 T409 H410 D412	I380-K383 HydrophobicContact CG2-CB 3.69Å; I380-K383 HydrophobicContact CG2-CD 3.97Å; I380-K383 HydrophobicContact CG2-CG 4.44Å; I380-T409 WeakPolarHBondContact O-CA 3.23Å; I380-H410 PolarHBondContact N-O 3.06Å; I380-H410 PolarHBondContact O-N 2.98Å; I380-D412 HydrophobicContact CD1-CB 3.77Å; I380-D412 HydrophobicContact CG1-CB 4.03Å
381	I	89.6	Confident	79.3	Confident	109 Å²	109	76.8 Å²	76.8	56%	0.559	37%	0.374	S	S	*	.			trans	-107.4	138.4	-175	-59.1	165.7	0	0	0	109.6	P379 K383 T409	P379-I381 HydrophobicContact CB-CG1 4.31Å; I381-K383 PolarHBondContact O-N 2.87Å; I381-T409 HydrophobicContact CG1-CG2 3.74Å
382	Q	85.1	Confident	78.7	Confident	151 Å²	151	80.1 Å²	80.1	71%	0.706	39%	0.385	S	S	*	.	S	Bend	trans	52.7	29.1	171.4	-69	176.8	-2.2	0	0	115.9	R384	Q382-R384 PolarHBondContact O-N 3.48Å
383	K	89.8	Confident	77.3	Confident	91 Å²	91	83.3 Å²	83.3	40%	0.396	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-65.5	120.5	176.3	-176.4	168.4	-177.4	170.1	0	110.5	I380 I381 Y407	I380-K383 HydrophobicContact CG2-CB 3.69Å; I380-K383 HydrophobicContact CG2-CD 3.97Å; I380-K383 HydrophobicContact CG2-CG 4.44Å; I381-K383 PolarHBondContact O-N 2.87Å; K383-Y407 HydrophobicContact CB-CD2 4.37Å; K383-Y407 HydrophobicContact CG-CD2 4.22Å; K383-Y407 PolarHBondContact O-N 3.05Å
384	R	88	Confident	75	Confident	197 Å²	197	91.2 Å²	91.2	74%	0.743	43%	0.429	S	S	*	.	B	Isolated β-bridge	trans	-69.5	148.6	173.8	-67.4	-175.1	-179.6	-172.1	0.2	110.7	Q382 E386	Q382-R384 PolarHBondContact O-N 3.48Å; R384-E386 PolarHBondContact O-N 3.43Å
385	V	84.1	Confident	73	Confident	23 Å²	23	95.8 Å²	95.8	14%	0.139	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-74.6	117.9	174.1	-178.3	0	0	0	0	109.5	F387 G404 N405 Y407	V385-F387 HydrophobicContact CB-CD2 4.36Å; V385-F387 HydrophobicContact CB-CE2 4.02Å; V385-F387 HydrophobicContact CG1-CD1 4.37Å; V385-F387 HydrophobicContact CG1-CD2 3.76Å; V385-F387 HydrophobicContact CG1-CE1 4.15Å; V385-F387 HydrophobicContact CG1-CE2 3.5Å; V385-F387 HydrophobicContact CG1-CG 4.19Å; V385-F387 HydrophobicContact CG1-CZ 3.71Å; V385-F387 PolarHBondContact O-N 2.66Å; V385-G404 WeakPolarHBondContact CG2-O 3.32Å; V385-N405 PolarHBondContact N-O 3.37Å; V385-Y407 HydrophobicContact CB-CE2 4.46Å; V385-Y407 HydrophobicContact CG2-CD1 4.04Å; V385-Y407 HydrophobicContact CG2-CD2 4.26Å; V385-Y407 HydrophobicContact CG2-CE1 3.71Å; V385-Y407 HydrophobicContact CG2-CE2 3.95Å; V385-Y407 HydrophobicContact CG2-CG 4.32Å
386	E	76.7	Confident	70.9	Confident	160 Å²	160	104.1 Å²	104.1	75%	0.748	48%	0.484	S	S	*	.			trans	-87.8	98.5	170.3	-70	170.3	-160.1	0	0	108.6	R384 N388	R384-E386 PolarHBondContact O-N 3.43Å; E386-N388 PolarHBondContact O-N 2.77Å; E386-N388 VanDerWaalsContact O-N 3.14Å
387	F	64.8	Low	69.1	Low	130 Å²	130	107.5 Å²	107.5	57%	0.57	50%	0.502	S	S	*	.			trans	-76.8	97.9	171.3	-75	-78.1	0	0	0	109.5	V385	V385-F387 HydrophobicContact CB-CD2 4.36Å; V385-F387 HydrophobicContact CB-CE2 4.02Å; V385-F387 HydrophobicContact CG1-CD1 4.37Å; V385-F387 HydrophobicContact CG1-CD2 3.76Å; V385-F387 HydrophobicContact CG1-CE1 4.15Å; V385-F387 HydrophobicContact CG1-CE2 3.5Å; V385-F387 HydrophobicContact CG1-CG 4.19Å; V385-F387 HydrophobicContact CG1-CZ 3.71Å; V385-F387 PolarHBondContact O-N 2.66Å
388	N	59.9	Low	67.8	Low	76 Å²	76	112.9 Å²	112.9	41%	0.406	53%	0.527	S	S	.	.			trans	-101.9	105.7	169.1	-170.6	-13.5	0	0	0	109.7	E386 L390 F391	E386-N388 PolarHBondContact O-N 2.77Å; E386-N388 VanDerWaalsContact O-N 3.14Å; N388-L390 PolarHBondContact O-N 3.37Å; N388-L390 VanDerWaalsContact O-N 3.09Å; N388-L390 WeakPolarHBondContact OD1-CB 3.18Å; N388-L390 PolarHBondContact OD1-N 3.42Å; N388-F391 HydrophobicContact CB-CD2 3.78Å; N388-F391 HydrophobicContact CB-CE2 4.3Å; N388-F391 VanDerWaalsContact ND2-CE2 3.33Å; N388-F391 WeakPolarHBondContact ND2-CE2 3.32Å; N388-F391 PolarHBondContact O-N 3.14Å; N388-F391 VanDerWaalsContact O-N 3.09Å
389	N	57.2	Low	67.2	Low	117 Å²	117	111.4 Å²	111.4	63%	0.626	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-56.3	-25.3	-178.9	-79.7	-28.3	0	0	0	112.9	F391 K392	N389-F391 PolarHBondContact O-N 2.98Å; N389-K392 PolarHBondContact O-N 2.99Å
390	L	53.8	Low	66.6	Low	138 Å²	138	110.2 Å²	110.2	72%	0.723	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-65.9	-22.2	179.2	-65.1	165.7	0	0	0	113.4	N388	N388-L390 PolarHBondContact O-N 3.37Å; N388-L390 VanDerWaalsContact O-N 3.09Å; N388-L390 WeakPolarHBondContact OD1-CB 3.18Å; N388-L390 PolarHBondContact OD1-N 3.42Å
391	F	51.3	Low	66.2	Low	103 Å²	103	112.5 Å²	112.5	45%	0.452	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-96.1	-3.3	-177.4	-69.6	-79.3	0	0	0	114.4	N388 N389 D393 Y394 F395	N388-F391 HydrophobicContact CB-CD2 3.78Å; N388-F391 HydrophobicContact CB-CE2 4.3Å; N388-F391 VanDerWaalsContact ND2-CE2 3.33Å; N388-F391 WeakPolarHBondContact ND2-CE2 3.32Å; N388-F391 PolarHBondContact O-N 3.14Å; N388-F391 VanDerWaalsContact O-N 3.09Å; N389-F391 PolarHBondContact O-N 2.98Å; F391-D393 PolarHBondContact O-N 3.02Å; F391-Y394 HydrophobicContact CD1-CG 4.43Å; F391-Y394 PolarHBondContact O-N 3.03Å; F391-Y394 VanDerWaalsContact O-N 3.1Å; F391-F395 HydrophobicContact CB-CD2 4.3Å; F391-F395 HydrophobicContact CB-CE2 3.94Å; F391-F395 VanDerWaalsContact O-CD2 3.31Å; F391-F395 WeakPolarHBondContact O-CD2 3.31Å; F391-F395 PolarHBondContact O-N 3.46Å
392	K	50	Low	65.9	Low	137 Å²	137	109.6 Å²	109.6	60%	0.596	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-34.1	177.1	-91.1	179.5	175	167.6	0	112.4	N389	N389-K392 PolarHBondContact O-N 2.99Å
393	D	45.9	Very low	65.6	Low	136 Å²	136	106.6 Å²	106.6	73%	0.727	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-20.6	-179.6	-67.1	-28.4	0	0	0	113.9	F391	F391-D393 PolarHBondContact O-N 3.02Å
394	Y	42.5	Very low	65.2	Low	196 Å²	196	103.5 Å²	103.5	77%	0.769	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-35.4	-179.5	-109	-87	0	0	0	112	F391 K396	F391-Y394 HydrophobicContact CD1-CG 4.43Å; F391-Y394 PolarHBondContact O-N 3.03Å; F391-Y394 VanDerWaalsContact O-N 3.1Å; Y394-K396 VanDerWaalsContact C-N 3.26Å; Y394-K396 PolarHBondContact O-N 3.13Å; Y394-K396 VanDerWaalsContact O-N 3.08Å
395	F	49.1	Very low	65.1	Low	111 Å²	111	100.4 Å²	100.4	49%	0.487	48%	0.484	S	S	.	.			trans	-85.7	70.3	171.6	-57.6	-72.6	0	0	0	109.5	F391 D397	F391-F395 HydrophobicContact CB-CD2 4.3Å; F391-F395 HydrophobicContact CB-CE2 3.94Å; F391-F395 VanDerWaalsContact O-CD2 3.31Å; F391-F395 WeakPolarHBondContact O-CD2 3.31Å; F391-F395 PolarHBondContact O-N 3.46Å; F395-D397 PolarHBondContact O-N 2.84Å
396	K	48.2	Very low	65.3	Low	176 Å²	176	103.5 Å²	103.5	77%	0.765	50%	0.499	S	S	*	.			trans	-61.9	-1.9	163.7	-84.8	-178.3	179.6	174.8	0	112.9	Y394 H398	Y394-K396 VanDerWaalsContact C-N 3.26Å; Y394-K396 PolarHBondContact O-N 3.13Å; Y394-K396 VanDerWaalsContact O-N 3.08Å; K396-H398 PolarHBondContact O-N 3.43Å
397	D	54.4	Low	65.8	Low	77 Å²	77	97.5 Å²	97.5	41%	0.412	47%	0.469	S	S	.	.	S	Bend	trans	-64.4	116.2	168.1	-66.3	-24.2	0	0	0	109.6	F395 L399	F395-D397 PolarHBondContact O-N 2.84Å; D397-L399 PolarHBondContact O-N 3.3Å
398	H	65.4	Low	67	Low	114 Å²	114	92.8 Å²	92.8	53%	0.528	45%	0.452	S	S	.	.			trans	-64.7	15.6	-176.6	-60.5	-56	0	0	0	115.2	Y189 K396	Y189-H398 VanDerWaalsContact CE1-O 3.23Å; Y189-H398 WeakPolarHBondContact CE1-O 3.39Å; Y189-H398 PolarHBondContact OH-O 2.96Å; K396-H398 PolarHBondContact O-N 3.43Å
399	L	74.5	Confident	68.5	Low	20 Å²	20	91.5 Å²	91.5	11%	0.105	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-76.3	141.1	179.4	-62.1	-175.3	0	0	0	110.6	N310 D397 P437 I441	N310-L399 HydrophobicContact CB-CD1 3.95Å; D397-L399 PolarHBondContact O-N 3.3Å; L399-P437 HydrophobicContact CD1-CB 4.26Å; L399-P437 HydrophobicContact CD2-CB 4.14Å; L399-I441 HydrophobicContact CD1-CD1 4.34Å; L399-I441 HydrophobicContact CD1-CG1 4.26Å
400	P	78	Confident	70.3	Confident	16 Å²	16	86 Å²	86	10%	0.104	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-61.9	157.6	172.3	28.1	-35.2	0	0	0	111.1	F176 Y183 I436 P437 F438 N439	F176-P400 HydrophobicContact CD1-CG 4.07Å; F176-P400 HydrophobicContact CE1-CB 3.95Å; F176-P400 HydrophobicContact CE1-CG 3.7Å; Y183-P400 HydrophobicContact CE1-CB 4.25Å; Y183-P400 HydrophobicContact CE1-CG 4.22Å; P400-I436 HydrophobicContact CG-CG2 4.39Å; P400-P437 WeakPolarHBondContact CD-O 3.36Å; P400-F438 HydrophobicContact CG-CB 3.94Å; P400-F438 CarbonylContact O-C 3.59Å; P400-F438 VanDerWaalsContact O-CA 3.31Å; P400-F438 WeakPolarHBondContact O-CA 3.31Å; P400-F438 VanDerWaalsContact O-CB 3.25Å; P400-F438 WeakPolarHBondContact O-CB 3.44Å; P400-N439 PolarHBondContact O-N 3.08Å
401	L	81.7	Confident	72.1	Confident	85 Å²	85	79.4 Å²	79.4	45%	0.445	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-91.4	151.2	171.8	-62.6	174.1	0	0	0	110.4	N439	L401-N439 HydrophobicContact CD2-CB 3.99Å
402	W	82.8	Confident	73.9	Confident	48 Å²	48	76.3 Å²	76.3	18%	0.182	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-57.3	137.9	167.1	-179.4	-108.9	0	0	0	111.3	F176 G404 I406 Y407 F438 N439	F176-W402 HydrophobicContact CD2-CZ3 4.41Å; F176-W402 AromaticContact CE2-CE3 3.66Å; F176-W402 HydrophobicContact CE2-CE3 3.66Å; F176-W402 AromaticContact CE2-CZ3 3.92Å; F176-W402 HydrophobicContact CE2-CZ3 3.92Å; F176-W402 HydrophobicContact CZ-CE3 4.38Å; W402-G404 PolarHBondContact NE1-O 3.15Å; W402-I406 PolarHBondContact NE1-O 3.41Å; W402-Y407 HydrophobicContact CB-CD1 4.27Å; W402-Y407 HydrophobicContact CB-CE1 3.72Å; W402-Y407 AromaticContact CD1-CD1 3.5Å; W402-Y407 VanDerWaalsContact CD1-CD1 3.5Å; W402-Y407 AromaticContact CD1-CE1 3.54Å; W402-Y407 HydrophobicContact CD2-CD1 4.39Å; W402-Y407 AromaticContact CG-CD1 3.81Å; W402-Y407 HydrophobicContact CG-CD1 3.81Å; W402-Y407 AromaticContact CG-CE1 3.73Å; W402-Y407 HydrophobicContact CG-CE1 3.73Å; W402-Y407 AromaticContact NE1-CD1 3.87Å; W402-F438 HydrophobicContact CB-CD2 4.11Å; W402-F438 HydrophobicContact CB-CE2 4.04Å; W402-F438 HydrophobicContact CD2-CE2 4.27Å; W402-F438 HydrophobicContact CE3-CD2 4.35Å; W402-F438 HydrophobicContact CE3-CE1 4.35Å; W402-F438 AromaticContact CE3-CE2 3.64Å; W402-F438 HydrophobicContact CE3-CE2 3.64Å; W402-F438 AromaticContact CE3-CZ 3.63Å; W402-F438 HydrophobicContact CE3-CZ 3.63Å; W402-F438 HydrophobicContact CG-CE2 4.46Å; W402-F438 HydrophobicContact CZ3-CE2 4.49Å; W402-F438 HydrophobicContact CZ3-CZ 4.06Å; W402-N439 PolarHBondContact N-O 2.89Å
403	Q	79.1	Confident	75.8	Confident	88 Å²	88	70 Å²	70	41%	0.411	34%	0.344	S	S	.	.			trans	-101	-13.4	-173.8	-71.2	168.6	3.7	0	0	113.8	N175	N175-Q403 PolarHBondContact ND2-OE1 3.35Å
404	G	82.5	Confident	77.6	Confident	25 Å²	25	69.9 Å²	69.9	26%	0.258	34%	0.337	S	S	.	.	S	Bend	trans	-84.5	163.6	179.7	0	0	0	0	0	112.8	V385 W402	V385-G404 WeakPolarHBondContact CG2-O 3.32Å; W402-G404 PolarHBondContact NE1-O 3.15Å
405	N	85	Confident	79.3	Confident	133 Å²	133	61.6 Å²	61.6	71%	0.711	31%	0.306	S	S	*	.	S	Bend	trans	-79.5	-22.8	177.5	-65.7	-17.2	0	0	0	113.3	V385	V385-N405 PolarHBondContact N-O 3.37Å
406	I	88	Confident	80.8	Confident	87 Å²	87	56.3 Å²	56.3	45%	0.446	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-126	137.6	-178.6	-60.6	172.2	0	0	0	107.4	W402	W402-I406 PolarHBondContact NE1-O 3.41Å
407	Y	88.2	Confident	82.8	Confident	34 Å²	34	47.9 Å²	47.9	13%	0.133	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-76.6	143.9	171.3	-66.5	-56	0	0	0	110.5	K383 V385 W402 P440 V443	K383-Y407 HydrophobicContact CB-CD2 4.37Å; K383-Y407 HydrophobicContact CG-CD2 4.22Å; K383-Y407 PolarHBondContact O-N 3.05Å; V385-Y407 HydrophobicContact CB-CE2 4.46Å; V385-Y407 HydrophobicContact CG2-CD1 4.04Å; V385-Y407 HydrophobicContact CG2-CD2 4.26Å; V385-Y407 HydrophobicContact CG2-CE1 3.71Å; V385-Y407 HydrophobicContact CG2-CE2 3.95Å; V385-Y407 HydrophobicContact CG2-CG 4.32Å; W402-Y407 HydrophobicContact CB-CD1 4.27Å; W402-Y407 HydrophobicContact CB-CE1 3.72Å; W402-Y407 AromaticContact CD1-CD1 3.5Å; W402-Y407 VanDerWaalsContact CD1-CD1 3.5Å; W402-Y407 AromaticContact CD1-CE1 3.54Å; W402-Y407 HydrophobicContact CD2-CD1 4.39Å; W402-Y407 AromaticContact CG-CD1 3.81Å; W402-Y407 HydrophobicContact CG-CD1 3.81Å; W402-Y407 AromaticContact CG-CE1 3.73Å; W402-Y407 HydrophobicContact CG-CE1 3.73Å; W402-Y407 AromaticContact NE1-CD1 3.87Å; Y407-P440 VanDerWaalsContact CE1-CD 3.48Å; Y407-P440 HydrophobicContact CE1-CG 3.89Å; Y407-P440 HydrophobicContact CE2-CG 4.25Å; Y407-P440 WeakPolarHBondContact OH-CD 3.37Å; Y407-V443 HydrophobicContact CD1-CB 4.34Å; Y407-V443 HydrophobicContact CD1-CG1 3.78Å; Y407-V443 HydrophobicContact CD1-CG2 3.92Å; Y407-V443 HydrophobicContact CD2-CG2 4.36Å; Y407-V443 HydrophobicContact CE1-CG2 4.35Å; Y407-V443 HydrophobicContact CG-CG1 4.22Å; Y407-V443 HydrophobicContact CG-CG2 3.91Å
408	P	89.7	Confident	84.7	Confident	32 Å²	32	44.2 Å²	44.2	21%	0.208	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-57.4	154.3	167.1	27.2	-35	0	0	0	110.2	H410 V443	P408-H410 PolarHBondContact O-N 3.27Å; P408-H410 PolarHBondContact O-ND1 3.4Å; P408-V443 HydrophobicContact CG-CG1 3.77Å
409	T	92	Very high	86.1	Confident	48 Å²	48	38.8 Å²	38.8	29%	0.294	20%	0.202	S	C	.	.	S	Bend	trans	-54.3	127.5	172.1	-49.4	0	0	0	0	109.3	P379 I380 I381 G447 I457	P379-T409 HydrophobicContact CB-CG2 4.39Å; I380-T409 WeakPolarHBondContact O-CA 3.23Å; I381-T409 HydrophobicContact CG1-CG2 3.74Å; T409-G447 WeakPolarHBondContact O-CA 3.32Å; T409-I457 HydrophobicContact CG2-CD1 3.67Å; T409-I457 WeakPolarHBondContact O-CD1 3.41Å
410	H	93.6	Very high	87.1	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.009	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	171.1	-174.7	63	-80	0	0	0	110.1	I380 P408	I380-H410 PolarHBondContact N-O 3.06Å; I380-H410 PolarHBondContact O-N 2.98Å; P408-H410 PolarHBondContact O-N 3.27Å; P408-H410 PolarHBondContact O-ND1 3.4Å
411	C	92.7	Very high	87.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	147.8	-179.1	-62.2	0	0	0	0	112.4	I375 C377 I413 F418 T446	I375-C411 VanDerWaalsContact CG2-SG 3.51Å; C377-C411 HydrophobicContact CB-CB 3.47Å; C377-C411 VanDerWaalsContact CB-CB 3.47Å; C377-C411 WeakPolarHBondContact CB-SG 3.41Å; C377-C411 VanDerWaalsContact SG-CA 3.5Å; C377-C411 WeakPolarHBondContact SG-CB 3.46Å; C377-C411 CovalentContact SG-SG 2.03Å; C377-C411 PolarHBondContact SG-SG 3.29Å; C411-I413 VanDerWaalsContact C-N 3.28Å; C411-I413 HydrophobicContact CB-CG1 4.17Å; C411-I413 PolarHBondContact O-N 3.15Å; C411-F418 HydrophobicContact CB-CB 4.41Å; C411-T446 HydrophobicContact CB-CG2 3.91Å; C411-T446 PolarHBondContact N-OG1 3.38Å
412	D	89.3	Confident	88.4	Confident	37 Å²	37	34.7 Å²	34.7	20%	0.198	18%	0.179	C	C	.	.			trans	-79.6	76.8	163.7	-165.9	-6.2	0	0	0	111.5	I378 I380 K414 T415 S416	I378-D412 PolarHBondContact O-N 2.96Å; I380-D412 HydrophobicContact CD1-CB 3.77Å; I380-D412 HydrophobicContact CG1-CB 4.03Å; D412-K414 PolarHBondContact O-N 3.23Å; D412-K414 VanDerWaalsContact O-N 3.15Å; D412-K414 PolarHBondContact OD1-N 2.8Å; D412-T415 WeakPolarHBondContact CB-OG1 3.4Å; D412-T415 PolarHBondContact O-N 2.82Å; D412-T415 PolarHBondContact O-OG1 3.4Å; D412-T415 PolarHBondContact OD1-N 2.79Å; D412-T415 PolarHBondContact OD1-OG1 3.22Å; D412-T415 WeakPolarHBondContact OD2-CB 3.32Å; D412-T415 WeakPolarHBondContact OD2-CG2 3.43Å; D412-T415 PolarHBondContact OD2-OG1 2.99Å; D412-S416 PolarHBondContact O-N 2.92Å; D412-S416 VanDerWaalsContact O-N 3.09Å; D412-S416 PolarHBondContact O-OG 2.87Å
413	I	88.9	Confident	88.7	Confident	6 Å²	6	40.2 Å²	40.2	3%	0.031	21%	0.205	C	C	.	.	H	α-helix	trans	-60.2	-28.2	-178.2	-53.5	179	0	0	0	111.6	C411 G417 F418 Q442 L445 T446	C411-I413 VanDerWaalsContact C-N 3.28Å; C411-I413 HydrophobicContact CB-CG1 4.17Å; C411-I413 PolarHBondContact O-N 3.15Å; I413-G417 WeakPolarHBondContact O-CA 3.3Å; I413-G417 PolarHBondContact O-N 3.49Å; I413-F418 HydrophobicContact CD1-CD1 4.09Å; I413-F418 HydrophobicContact CD1-CE1 4.07Å; I413-F418 HydrophobicContact CG1-CD1 3.98Å; I413-F418 HydrophobicContact CG1-CE1 4.44Å; I413-F418 HydrophobicContact CG2-CD1 4.28Å; I413-F418 HydrophobicContact CG2-CE1 4.49Å; I413-Q442 HydrophobicContact CD1-CB 3.63Å; I413-Q442 HydrophobicContact CG1-CB 4.08Å; I413-L445 HydrophobicContact CD1-CD1 4.4Å; I413-T446 HydrophobicContact CD1-CG2 3.69Å; I413-T446 HydrophobicContact CG1-CG2 4.09Å
414	K	84.3	Confident	89.4	Confident	132 Å²	132	36.2 Å²	36.2	57%	0.574	19%	0.186	S	C	*	.	H	α-helix	trans	-69.8	-36.3	-178.4	-69.6	-172	178.3	-174.4	0	112.2	D412	D412-K414 PolarHBondContact O-N 3.23Å; D412-K414 VanDerWaalsContact O-N 3.15Å; D412-K414 PolarHBondContact OD1-N 2.8Å
415	T	79	Confident	90	Very high	22 Å²	22	35 Å²	35	14%	0.135	17%	0.174	C	C	.	.	H	α-helix	trans	-99.5	-27.7	-171.3	65.6	0	0	0	0	113.3	L340 D412 I467 Q487	L340-T415 WeakPolarHBondContact CD2-O 3.44Å; D412-T415 WeakPolarHBondContact CB-OG1 3.4Å; D412-T415 PolarHBondContact O-N 2.82Å; D412-T415 PolarHBondContact O-OG1 3.4Å; D412-T415 PolarHBondContact OD1-N 2.79Å; D412-T415 PolarHBondContact OD1-OG1 3.22Å; D412-T415 WeakPolarHBondContact OD2-CB 3.32Å; D412-T415 WeakPolarHBondContact OD2-CG2 3.43Å; D412-T415 PolarHBondContact OD2-OG1 2.99Å; T415-I467 HydrophobicContact CG2-CD1 4.24Å; T415-I467 WeakPolarHBondContact OG1-CD1 3.18Å; T415-Q487 VanDerWaalsContact CB-NE2 3.33Å
416	S	80.5	Confident	90.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-130.9	-8	-177.7	70.5	0	0	0	0	115.2	I378 D412 F485	I378-S416 PolarHBondContact N-OG 3.49Å; D412-S416 PolarHBondContact O-N 2.92Å; D412-S416 VanDerWaalsContact O-N 3.09Å; D412-S416 PolarHBondContact O-OG 2.87Å; S416-F485 WeakPolarHBondContact O-CE2 2.98Å; S416-F485 WeakPolarHBondContact O-CZ 3.49Å
417	G	90.2	Very high	90.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.152	C	C	.	.			trans	58.4	-155.8	-163.1	0	0	0	0	0	111.8	F335 I413	F335-G417 CarbonylContact O-C 3.53Å; F335-G417 WeakPolarHBondContact O-CA 3.17Å; I413-G417 WeakPolarHBondContact O-CA 3.3Å; I413-G417 PolarHBondContact O-N 3.49Å
418	F	93.9	Very high	90.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	148.4	172.3	66.1	-82	0	0	0	111.8	H315 F335 I375 C377 C411 I413 L420 T446	H315-F418 AromaticContact CD2-CE1 3.69Å; H315-F418 AromaticContact CD2-CZ 3.72Å; H315-F418 AromaticContact NE2-CE1 3.87Å; F335-F418 HydrophobicContact CB-CD1 4.04Å; F335-F418 HydrophobicContact CB-CE1 3.65Å; F335-F418 HydrophobicContact CB-CE2 4.35Å; F335-F418 HydrophobicContact CB-CZ 3.83Å; F335-F418 HydrophobicContact CD2-CD2 4.17Å; F335-F418 HydrophobicContact CD2-CE1 4.25Å; F335-F418 AromaticContact CD2-CE2 3.47Å; F335-F418 HydrophobicContact CD2-CE2 3.47Å; F335-F418 VanDerWaalsContact CD2-CE2 3.47Å; F335-F418 AromaticContact CD2-CZ 3.53Å; F335-F418 HydrophobicContact CD2-CZ 3.53Å; F335-F418 HydrophobicContact CE2-CE2 4.07Å; F335-F418 HydrophobicContact CE2-CZ 4.22Å; F335-F418 HydrophobicContact CG-CE1 4.1Å; F335-F418 HydrophobicContact CG-CE2 4.16Å; F335-F418 AromaticContact CG-CZ 3.75Å; F335-F418 HydrophobicContact CG-CZ 3.75Å; F335-F418 PolarHBondContact N-O 3.2Å; F335-F418 PolarHBondContact O-N 3.2Å; I375-F418 HydrophobicContact CG2-CB 3.93Å; I375-F418 HydrophobicContact CG2-CD2 4.17Å; I375-F418 HydrophobicContact CG2-CG 4.44Å; C377-F418 HydrophobicContact CB-CB 3.92Å; C411-F418 HydrophobicContact CB-CB 4.41Å; I413-F418 HydrophobicContact CD1-CD1 4.09Å; I413-F418 HydrophobicContact CD1-CE1 4.07Å; I413-F418 HydrophobicContact CG1-CD1 3.98Å; I413-F418 HydrophobicContact CG1-CE1 4.44Å; I413-F418 HydrophobicContact CG2-CD1 4.28Å; I413-F418 HydrophobicContact CG2-CE1 4.49Å; F418-L420 HydrophobicContact CD2-CD1 4.09Å; F418-L420 HydrophobicContact CD2-CG 4.22Å; F418-L420 HydrophobicContact CE2-CD1 3.69Å; F418-L420 HydrophobicContact CE2-CG 4.33Å; F418-T446 HydrophobicContact CD1-CG2 3.89Å; F418-T446 HydrophobicContact CD2-CG2 4.31Å; F418-T446 HydrophobicContact CE1-CG2 4.11Å; F418-T446 HydrophobicContact CG-CG2 3.99Å; F418-T446 HydrophobicContact CZ-CG2 4.4Å
419	L	94.8	Very high	91	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	143.2	-176.8	177.4	82.8	0	0	0	110.2	L222 F332 V333 L334 Y350 T351 Y376 Y460	L222-L419 HydrophobicContact CD1-CD1 3.74Å; F332-L419 HydrophobicContact CB-CD1 3.89Å; F332-L419 HydrophobicContact CD1-CD1 4.03Å; F332-L419 HydrophobicContact CD1-CD2 3.89Å; F332-L419 HydrophobicContact CD1-CG 3.82Å; F332-L419 HydrophobicContact CE1-CD2 4.2Å; F332-L419 HydrophobicContact CG-CD1 4.3Å; V333-L419 WeakPolarHBondContact O-CA 3.31Å; L334-L419 HydrophobicContact CB-CD1 3.78Å; L334-L419 HydrophobicContact CD1-CB 4.09Å; L334-L419 HydrophobicContact CD1-CD1 4.32Å; Y350-L419 HydrophobicContact CD1-CD2 3.95Å; Y350-L419 HydrophobicContact CE1-CD2 3.7Å; T351-L419 HydrophobicContact CG2-CD1 4.45Å; T351-L419 HydrophobicContact CG2-CD2 4.09Å; Y376-L419 HydrophobicContact CD2-CB 4.39Å; Y376-L419 HydrophobicContact CD2-CD2 3.99Å; Y376-L419 HydrophobicContact CD2-CG 4.19Å; Y376-L419 WeakPolarHBondContact CD2-O 3.49Å; Y376-L419 HydrophobicContact CG-CD2 4.34Å; Y376-L419 PolarHBondContact N-O 3.15Å; Y376-L419 PolarHBondContact O-N 2.9Å; L419-Y460 HydrophobicContact CB-CE1 4.05Å; L419-Y460 HydrophobicContact CD2-CE1 4.35Å; L419-Y460 PolarHBondContact N-OH 3.36Å
420	L	94.6	Very high	91	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	145.5	-178.2	-83.6	170.4	0	0	0	110.6	F332 V333 F335 I375 F418 T424 M425	F332-L420 CarbonylContact C-O 3.55Å; F332-L420 WeakPolarHBondContact CA-O 3.37Å; V333-L420 PolarHBondContact N-O 2.92Å; V333-L420 PolarHBondContact O-N 3.23Å; F335-L420 HydrophobicContact CE2-CD1 4.35Å; I375-L420 HydrophobicContact CB-CD2 4.29Å; I375-L420 HydrophobicContact CD1-CD2 4.38Å; I375-L420 HydrophobicContact CG1-CD2 3.35Å; I375-L420 HydrophobicContact CG1-CG 4.07Å; F418-L420 HydrophobicContact CD2-CD1 4.09Å; F418-L420 HydrophobicContact CD2-CG 4.22Å; F418-L420 HydrophobicContact CE2-CD1 3.69Å; F418-L420 HydrophobicContact CE2-CG 4.33Å; L420-T424 HydrophobicContact CD2-CG2 3.45Å; L420-T424 VanDerWaalsContact CD2-CG2 3.45Å; L420-M425 HydrophobicContact CB-CB 4.33Å; L420-M425 HydrophobicContact CD1-CB 4.08Å; L420-M425 HydrophobicContact CD1-CG 4.44Å
421	L	93.8	Very high	90.9	Very high	28 Å²	28	26.8 Å²	26.8	15%	0.147	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	146	156.9	-71.1	164.2	0	0	0	109.1	D331 F332 L355 L358 K423 T424 M425	D331-L421 CarbonylContact O-C 3.6Å; D331-L421 WeakPolarHBondContact O-CA 3.34Å; F332-L421 HydrophobicContact CD1-CD2 3.98Å; F332-L421 HydrophobicContact CD1-CG 4.31Å; F332-L421 HydrophobicContact CD2-CD2 4.27Å; F332-L421 HydrophobicContact CE1-CD2 3.46Å; F332-L421 VanDerWaalsContact CE1-CD2 3.46Å; F332-L421 HydrophobicContact CE1-CG 3.77Å; F332-L421 HydrophobicContact CE2-CD2 3.77Å; F332-L421 HydrophobicContact CG-CD2 4.37Å; F332-L421 HydrophobicContact CZ-CD2 3.34Å; F332-L421 HydrophobicContact CZ-CG 4.1Å; L355-L421 HydrophobicContact CD2-CD2 4.46Å; L358-L421 HydrophobicContact CD1-CD1 3.56Å; L358-L421 HydrophobicContact CD1-CD2 4.01Å; L358-L421 HydrophobicContact CD1-CG 4.31Å; L421-K423 PolarHBondContact O-N 3.06Å; L421-T424 WeakPolarHBondContact O-CA 3.35Å; L421-T424 WeakPolarHBondContact O-CB 3.47Å; L421-T424 PolarHBondContact O-N 3.36Å; L421-M425 PolarHBondContact O-N 2.87Å
422	F	92.5	Very high	90.8	Very high	7 Å²	7	26.9 Å²	26.9	3%	0.031	12%	0.124	C	C	.	.	H	α-helix	trans	-56.6	-40.3	178	-170.9	-89.6	0	0	0	112.4	L322 L323 K327 I330 D331 V333 T424 M425 K426	L322-F422 HydrophobicContact CB-CE2 4.09Å; L323-F422 HydrophobicContact CD2-CE1 3.93Å; L323-F422 HydrophobicContact CD2-CZ 3.83Å; K327-F422 VanDerWaalsContact C-CE1 3.48Å; K327-F422 WeakPolarHBondContact O-CD1 3.05Å; K327-F422 WeakPolarHBondContact O-CE1 3.39Å; K327-F422 WeakPolarHBondContact O-CE2 3.07Å; K327-F422 WeakPolarHBondContact O-CZ 3.25Å; I330-F422 HydrophobicContact CB-CB 4.44Å; I330-F422 HydrophobicContact CB-CD2 3.85Å; I330-F422 HydrophobicContact CB-CG 4.37Å; I330-F422 HydrophobicContact CD1-CD2 3.97Å; I330-F422 HydrophobicContact CD1-CE2 3.96Å; I330-F422 HydrophobicContact CG1-CD2 4.47Å; I330-F422 HydrophobicContact CG2-CD2 4.44Å; I330-F422 WeakPolarHBondContact O-CB 3.11Å; D331-F422 PolarHBondContact O-N 3.42Å; V333-F422 HydrophobicContact CG2-CD2 4.09Å; F422-T424 VanDerWaalsContact C-N 3.33Å; F422-T424 PolarHBondContact O-N 3.35Å; F422-M425 HydrophobicContact CD1-CE 4.42Å; F422-M425 HydrophobicContact CD2-CE 3.63Å; F422-M425 HydrophobicContact CE1-CE 4.17Å; F422-M425 HydrophobicContact CE2-CE 3.36Å; F422-M425 HydrophobicContact CE2-SD 4.45Å; F422-M425 HydrophobicContact CG-CE 4.17Å; F422-M425 HydrophobicContact CZ-CE 3.63Å; F422-M425 WeakPolarHBondContact O-CB 3.45Å; F422-M425 PolarHBondContact O-N 3.24Å; F422-K426 PolarHBondContact O-N 3.13Å
423	K	90.2	Very high	90.6	Very high	164 Å²	164	30.1 Å²	30.1	71%	0.713	13%	0.134	S	C	*	.	H	α-helix	trans	-60.2	-41	174.7	-173.6	179.5	178.8	-177.7	0	112.3	L421 K426 Q427	L421-K423 PolarHBondContact O-N 3.06Å; K423-K426 WeakPolarHBondContact O-CB 3.09Å; K423-K426 PolarHBondContact O-N 3.43Å; K423-Q427 PolarHBondContact O-N 2.85Å
424	T	93.6	Very high	90.5	Very high	4 Å²	4	31.4 Å²	31.4	3%	0.025	14%	0.141	C	C	.	.	H	α-helix	trans	-70.6	-38.7	177.4	-55.9	0	0	0	0	111.5	P373 L420 L421 F422 K426 Q427 W428 I455	P373-T424 HydrophobicContact CB-CG2 3.8Å; L420-T424 HydrophobicContact CD2-CG2 3.45Å; L420-T424 VanDerWaalsContact CD2-CG2 3.45Å; L421-T424 WeakPolarHBondContact O-CA 3.35Å; L421-T424 WeakPolarHBondContact O-CB 3.47Å; L421-T424 PolarHBondContact O-N 3.36Å; F422-T424 VanDerWaalsContact C-N 3.33Å; F422-T424 PolarHBondContact O-N 3.35Å; T424-K426 VanDerWaalsContact C-N 3.28Å; T424-K426 PolarHBondContact O-N 3.27Å; T424-Q427 WeakPolarHBondContact O-CB 3.25Å; T424-Q427 PolarHBondContact O-N 3.49Å; T424-Q427 VanDerWaalsContact O-N 3.15Å; T424-W428 WeakPolarHBondContact O-CB 3.46Å; T424-W428 PolarHBondContact O-N 2.63Å; T424-I455 HydrophobicContact CG2-CB 4.5Å; T424-I455 HydrophobicContact CG2-CD1 3.67Å; T424-I455 HydrophobicContact CG2-CG1 3.95Å; T424-I455 HydrophobicContact CG2-CG2 3.71Å
425	M	94.4	Very high	90.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58.6	-39.5	173.2	179.8	-146.4	57.9	0	0	111.5	L322 L323 V333 L420 L421 F422 Q427 W428 Y429	L322-M425 HydrophobicContact CB-CE 4.48Å; L322-M425 HydrophobicContact CB-SD 4.46Å; L322-M425 HydrophobicContact CD1-SD 4.1Å; L323-M425 HydrophobicContact CD2-CE 3.7Å; L323-M425 HydrophobicContact CG-CE 3.84Å; V333-M425 HydrophobicContact CG2-SD 4.36Å; L420-M425 HydrophobicContact CB-CB 4.33Å; L420-M425 HydrophobicContact CD1-CB 4.08Å; L420-M425 HydrophobicContact CD1-CG 4.44Å; L421-M425 PolarHBondContact O-N 2.87Å; F422-M425 HydrophobicContact CD1-CE 4.42Å; F422-M425 HydrophobicContact CD2-CE 3.63Å; F422-M425 HydrophobicContact CE1-CE 4.17Å; F422-M425 HydrophobicContact CE2-CE 3.36Å; F422-M425 HydrophobicContact CE2-SD 4.45Å; F422-M425 HydrophobicContact CG-CE 4.17Å; F422-M425 HydrophobicContact CZ-CE 3.63Å; F422-M425 WeakPolarHBondContact O-CB 3.45Å; F422-M425 PolarHBondContact O-N 3.24Å; M425-Q427 PolarHBondContact O-N 2.89Å; M425-W428 PolarHBondContact O-N 2.92Å; M425-Y429 VanDerWaalsContact O-CB 3.29Å; M425-Y429 WeakPolarHBondContact O-CB 2.86Å; M425-Y429 PolarHBondContact O-N 3.27Å
426	K	92.2	Very high	90.7	Very high	102 Å²	102	24.6 Å²	24.6	44%	0.443	11%	0.109	S	C	.	.	H	α-helix	trans	-58.2	-45.7	174.3	-174.5	177.2	179	178.6	0	112.2	L165 L323 F422 K423 T424 T430	L165-K426 HydrophobicContact CD2-CG 4.48Å; L323-K426 HydrophobicContact CD2-CB 3.79Å; L323-K426 HydrophobicContact CD2-CD 4.28Å; L323-K426 HydrophobicContact CD2-CG 3.81Å; F422-K426 PolarHBondContact O-N 3.13Å; K423-K426 WeakPolarHBondContact O-CB 3.09Å; K423-K426 PolarHBondContact O-N 3.43Å; T424-K426 VanDerWaalsContact C-N 3.28Å; T424-K426 PolarHBondContact O-N 3.27Å; K426-T430 WeakPolarHBondContact O-CB 3.35Å; K426-T430 PolarHBondContact O-N 2.86Å; K426-T430 PolarHBondContact O-OG1 3.26Å
427	Q	92.4	Very high	90.9	Very high	52 Å²	52	25.6 Å²	25.6	24%	0.243	12%	0.115	C	C	.	.	H	α-helix	trans	-64.3	-48.1	177.3	-71.1	175.1	-31.9	0	0	111.5	F169 P373 K423 T424 M425 Y429 T430 C431 I455	F169-Q427 HydrophobicContact CE2-CB 3.89Å; F169-Q427 HydrophobicContact CE2-CG 4.12Å; F169-Q427 HydrophobicContact CZ-CB 4.01Å; F169-Q427 HydrophobicContact CZ-CG 4.02Å; P373-Q427 VanDerWaalsContact CB-OE1 3.32Å; P373-Q427 VanDerWaalsContact CG-OE1 3.31Å; K423-Q427 PolarHBondContact O-N 2.85Å; T424-Q427 WeakPolarHBondContact O-CB 3.25Å; T424-Q427 PolarHBondContact O-N 3.49Å; T424-Q427 VanDerWaalsContact O-N 3.15Å; M425-Q427 PolarHBondContact O-N 2.89Å; Q427-Y429 PolarHBondContact O-N 3.06Å; Q427-T430 WeakPolarHBondContact O-CB 3.49Å; Q427-T430 PolarHBondContact O-N 3.06Å; Q427-C431 PolarHBondContact O-N 3.16Å; Q427-C431 VanDerWaalsContact O-N 3.12Å; Q427-I455 HydrophobicContact CB-CD1 4.37Å
428	W	94.7	Very high	90.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-55.7	-49.2	177	177	83.9	0	0	0	112.2	H315 I316 S319 T424 M425 T430 C431 S432 L445 V449 I455	H315-W428 HydrophobicContact CB-CH2 3.94Å; I316-W428 HydrophobicContact CG1-CH2 4.44Å; S319-W428 WeakPolarHBondContact OG-CZ3 3.48Å; T424-W428 WeakPolarHBondContact O-CB 3.46Å; T424-W428 PolarHBondContact O-N 2.63Å; M425-W428 PolarHBondContact O-N 2.92Å; W428-T430 PolarHBondContact O-N 2.77Å; W428-C431 PolarHBondContact O-N 3.4Å; W428-S432 PolarHBondContact O-N 2.93Å; W428-L445 HydrophobicContact CH2-CD2 3.86Å; W428-L445 HydrophobicContact CZ2-CB 4.16Å; W428-L445 HydrophobicContact CZ2-CD2 3.6Å; W428-L445 HydrophobicContact CZ2-CG 4.46Å; W428-L445 PolarHBondContact NE1-O 3.04Å; W428-V449 HydrophobicContact CD2-CG1 4.28Å; W428-V449 HydrophobicContact CG-CG1 4.03Å; W428-V449 VanDerWaalsContact O-CG1 3.24Å; W428-V449 WeakPolarHBondContact O-CG1 3.19Å; W428-I455 HydrophobicContact CB-CD1 3.72Å
429	Y	93.5	Very high	89.9	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.2	-41.9	176.7	171.7	-105.5	0	0	0	112.2	L163 L165 I316 E320 L323 M425 Q427 C431 S432 R433	L163-Y429 HydrophobicContact CD1-CE1 3.88Å; L165-Y429 HydrophobicContact CD1-CD1 3.68Å; L165-Y429 HydrophobicContact CD1-CE1 3.55Å; I316-Y429 HydrophobicContact CG2-CD2 4Å; I316-Y429 HydrophobicContact CG2-CE2 3.64Å; I316-Y429 WeakPolarHBondContact O-CE2 2.99Å; E320-Y429 HydrophobicContact CB-CE2 3.72Å; E320-Y429 WeakPolarHBondContact CB-OH 3.39Å; E320-Y429 HydrophobicContact CG-CE2 4.41Å; E320-Y429 WeakPolarHBondContact CG-OH 3.42Å; E320-Y429 PolarHBondContact OE1-OH 3.02Å; L323-Y429 HydrophobicContact CD1-CD1 3.19Å; L323-Y429 HydrophobicContact CD1-CE1 3.75Å; L323-Y429 HydrophobicContact CD1-CG 3.75Å; M425-Y429 VanDerWaalsContact O-CB 3.29Å; M425-Y429 WeakPolarHBondContact O-CB 2.86Å; M425-Y429 PolarHBondContact O-N 3.27Å; Q427-Y429 PolarHBondContact O-N 3.06Å; Y429-C431 VanDerWaalsContact C-N 3.31Å; Y429-C431 PolarHBondContact O-N 2.79Å; Y429-S432 PolarHBondContact O-N 3.32Å; Y429-S432 PolarHBondContact O-OG 3.34Å; Y429-R433 HydrophobicContact CE2-CG 4.3Å; Y429-R433 PolarHBondContact O-N 3.08Å
430	T	90.9	Very high	89.6	Confident	8 Å²	8	27.6 Å²	27.6	5%	0.049	13%	0.128	C	C	.	.	H	α-helix	trans	-58.8	-46.7	179.8	-59.4	0	0	0	0	110.6	L165 N166 F169 K426 Q427 W428 R433	L165-T430 HydrophobicContact CB-CG2 3.73Å; L165-T430 HydrophobicContact CD1-CG2 4.45Å; N166-T430 WeakPolarHBondContact O-CG2 3.33Å; F169-T430 HydrophobicContact CE1-CG2 4.3Å; F169-T430 HydrophobicContact CZ-CG2 3.94Å; K426-T430 WeakPolarHBondContact O-CB 3.35Å; K426-T430 PolarHBondContact O-N 2.86Å; K426-T430 PolarHBondContact O-OG1 3.26Å; Q427-T430 WeakPolarHBondContact O-CB 3.49Å; Q427-T430 PolarHBondContact O-N 3.06Å; W428-T430 PolarHBondContact O-N 2.77Å; T430-R433 PolarHBondContact O-N 2.84Å
431	C	91.7	Very high	89.2	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-73.5	-30.9	178.2	-56.8	0	0	0	0	112.6	F169 C170 Q427 W428 Y429 R433 L434 Y435 V452 A453	F169-C431 WeakPolarHBondContact CE2-SG 3.42Å; C170-C431 HydrophobicContact CB-CB 4Å; C170-C431 WeakPolarHBondContact CB-SG 2.83Å; C170-C431 WeakPolarHBondContact SG-CA 3.27Å; C170-C431 WeakPolarHBondContact SG-CB 3.24Å; C170-C431 CovalentContact SG-SG 2.04Å; C170-C431 PolarHBondContact SG-SG 3.07Å; Q427-C431 PolarHBondContact O-N 3.16Å; Q427-C431 VanDerWaalsContact O-N 3.12Å; W428-C431 PolarHBondContact O-N 3.4Å; Y429-C431 VanDerWaalsContact C-N 3.31Å; Y429-C431 PolarHBondContact O-N 2.79Å; C431-R433 PolarHBondContact O-N 3.29Å; C431-R433 VanDerWaalsContact O-N 3.14Å; C431-L434 WeakPolarHBondContact O-CB 3.38Å; C431-L434 PolarHBondContact O-N 3.3Å; C431-Y435 WeakPolarHBondContact O-CD2 3.29Å; C431-V452 HydrophobicContact CB-CG2 3.97Å; C431-A453 HydrophobicContact CB-CB 4.02Å; C431-A453 VanDerWaalsContact SG-CA 3.55Å; C431-A453 VanDerWaalsContact SG-CB 3.59Å
432	S	90.9	Very high	89	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-58.4	-31.2	177.2	75.1	0	0	0	0	112.4	W428 Y429 L434 Y435 Y444	W428-S432 PolarHBondContact O-N 2.93Å; Y429-S432 PolarHBondContact O-N 3.32Å; Y429-S432 PolarHBondContact O-OG 3.34Å; S432-L434 PolarHBondContact O-N 2.89Å; S432-Y435 PolarHBondContact O-N 3.28Å; S432-Y435 VanDerWaalsContact O-O 3.13Å; S432-Y444 PolarHBondContact O-OH 3.02Å
433	R	86.1	Confident	89	Confident	104 Å²	104	29.4 Å²	29.4	39%	0.392	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-15.6	177.1	-64.7	-174.2	71.2	-168.1	0.2	114.5	I178 Y429 T430 C431	I178-R433 WeakPolarHBondContact CD1-O 3.27Å; Y429-R433 HydrophobicContact CE2-CG 4.3Å; Y429-R433 PolarHBondContact O-N 3.08Å; T430-R433 PolarHBondContact O-N 2.84Å; C431-R433 PolarHBondContact O-N 3.29Å; C431-R433 VanDerWaalsContact O-N 3.14Å
434	L	85.4	Confident	89.1	Confident	34 Å²	34	21.7 Å²	21.7	18%	0.178	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-7.7	179.3	-63.1	-178.1	0	0	0	113.4	C170 Y177 I178 C431 S432	C170-L434 HydrophobicContact CB-CD1 3.78Å; Y177-L434 HydrophobicContact CD2-CB 4.26Å; Y177-L434 WeakPolarHBondContact CD2-O 3.07Å; Y177-L434 HydrophobicContact CE2-CB 3.92Å; Y177-L434 HydrophobicContact CE2-CD1 4.34Å; I178-L434 WeakPolarHBondContact CG1-O 3.25Å; I178-L434 PolarHBondContact N-O 3.26Å; C431-L434 WeakPolarHBondContact O-CB 3.38Å; C431-L434 PolarHBondContact O-N 3.3Å; S432-L434 PolarHBondContact O-N 2.89Å
435	Y	85.3	Confident	89.1	Confident	3 Å²	3	21.5 Å²	21.5	1%	0.012	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-127.6	133.6	-171.1	-74.1	-86.2	0	0	0	112.6	L171 Q173 F176 Y177 C431 S432 Y444 L448 V452	L171-Y435 PolarHBondContact O-OH 3.38Å; Q173-Y435 PolarHBondContact N-OH 3.38Å; Q173-Y435 VanDerWaalsContact N-OH 3.12Å; Q173-Y435 PolarHBondContact O-OH 2.86Å; Q173-Y435 VanDerWaalsContact O-OH 3.08Å; F176-Y435 HydrophobicContact CB-CD1 4.23Å; Y177-Y435 HydrophobicContact CD2-CE1 4.08Å; Y177-Y435 HydrophobicContact CD2-CE2 4.13Å; Y177-Y435 AromaticContact CD2-CZ 3.82Å; Y177-Y435 HydrophobicContact CG-CE1 4.47Å; C431-Y435 WeakPolarHBondContact O-CD2 3.29Å; S432-Y435 PolarHBondContact O-N 3.28Å; S432-Y435 VanDerWaalsContact O-O 3.13Å; Y435-Y444 PolarHBondContact O-OH 3.44Å; Y435-L448 HydrophobicContact CD1-CD2 3.94Å; Y435-L448 HydrophobicContact CG-CD2 4.43Å; Y435-V452 HydrophobicContact CD2-CG2 3.8Å; Y435-V452 HydrophobicContact CE1-CG1 4.1Å; Y435-V452 HydrophobicContact CE2-CB 3.77Å; Y435-V452 HydrophobicContact CE2-CG1 3.93Å; Y435-V452 HydrophobicContact CE2-CG2 3.52Å
436	I	82.2	Confident	89.1	Confident	8 Å²	8	21.5 Å²	21.5	4%	0.041	10%	0.101	C	C	.	.			trans	-72.5	128.4	178.5	-61.2	169.2	0	0	0	109.5	F176 I178 Y183 Y189 P400	F176-I436 PolarHBondContact O-N 3.48Å; I178-I436 HydrophobicContact CG1-CD1 4.4Å; I178-I436 HydrophobicContact CG1-CG1 3.7Å; Y183-I436 HydrophobicContact CD1-CD1 3.74Å; Y183-I436 HydrophobicContact CD2-CD1 4.23Å; Y183-I436 HydrophobicContact CG-CD1 3.48Å; Y183-I436 VanDerWaalsContact CG-CD1 3.48Å; Y189-I436 HydrophobicContact CD1-CG2 3.79Å; Y189-I436 HydrophobicContact CG-CD1 4.49Å; Y189-I436 HydrophobicContact CG-CG2 4.11Å; P400-I436 HydrophobicContact CG-CG2 4.39Å
437	P	84.8	Confident	89.2	Confident	20 Å²	20	16.6 Å²	16.6	13%	0.13	8%	0.08	C	C	.	.			trans	-57.9	143.6	173.4	-23.5	32.7	0	0	0	112.6	A312 L399 P400 Y444	A312-P437 HydrophobicContact CB-CB 4.3Å; L399-P437 HydrophobicContact CD1-CB 4.26Å; L399-P437 HydrophobicContact CD2-CB 4.14Å; P400-P437 WeakPolarHBondContact CD-O 3.36Å; P437-Y444 HydrophobicContact CB-CD1 4.11Å; P437-Y444 HydrophobicContact CB-CE1 3.91Å; P437-Y444 HydrophobicContact CB-CE2 4.38Å; P437-Y444 HydrophobicContact CB-CG 4.43Å; P437-Y444 HydrophobicContact CG-CE1 3.92Å; P437-Y444 HydrophobicContact CG-CE2 4.44Å
438	F	83.2	Confident	89.2	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.07	C	C	.	.			trans	-141	163.9	177.9	67.9	-94.7	0	0	0	111.1	F176 P400 W402 P440 V443 Y444 L448	F176-F438 HydrophobicContact CD1-CB 3.94Å; F176-F438 AromaticContact CD1-CD1 3.83Å; F176-F438 HydrophobicContact CD1-CD1 3.83Å; F176-F438 HydrophobicContact CD1-CG 4.16Å; F176-F438 AromaticContact CD2-CD1 3.83Å; F176-F438 HydrophobicContact CD2-CD1 3.83Å; F176-F438 HydrophobicContact CD2-CE1 4.03Å; F176-F438 HydrophobicContact CD2-CG 4.49Å; F176-F438 HydrophobicContact CE1-CB 3.45Å; F176-F438 VanDerWaalsContact CE1-CB 3.45Å; F176-F438 AromaticContact CE1-CD1 3.89Å; F176-F438 HydrophobicContact CE1-CD1 3.89Å; F176-F438 AromaticContact CE1-CG 3.77Å; F176-F438 HydrophobicContact CE1-CG 3.77Å; F176-F438 AromaticContact CE2-CD1 3.9Å; F176-F438 HydrophobicContact CE2-CD1 3.9Å; F176-F438 HydrophobicContact CE2-CE1 4.16Å; F176-F438 HydrophobicContact CE2-CG 4.15Å; F176-F438 AromaticContact CG-CD1 3.81Å; F176-F438 HydrophobicContact CG-CD1 3.81Å; F176-F438 HydrophobicContact CG-CE1 4.37Å; F176-F438 HydrophobicContact CZ-CB 3.89Å; F176-F438 AromaticContact CZ-CD1 3.93Å; F176-F438 HydrophobicContact CZ-CD1 3.93Å; F176-F438 HydrophobicContact CZ-CD2 4.27Å; F176-F438 AromaticContact CZ-CG 3.77Å; F176-F438 HydrophobicContact CZ-CG 3.77Å; P400-F438 HydrophobicContact CG-CB 3.94Å; P400-F438 CarbonylContact O-C 3.59Å; P400-F438 VanDerWaalsContact O-CA 3.31Å; P400-F438 WeakPolarHBondContact O-CA 3.31Å; P400-F438 VanDerWaalsContact O-CB 3.25Å; P400-F438 WeakPolarHBondContact O-CB 3.44Å; W402-F438 HydrophobicContact CB-CD2 4.11Å; W402-F438 HydrophobicContact CB-CE2 4.04Å; W402-F438 HydrophobicContact CD2-CE2 4.27Å; W402-F438 HydrophobicContact CE3-CD2 4.35Å; W402-F438 HydrophobicContact CE3-CE1 4.35Å; W402-F438 AromaticContact CE3-CE2 3.64Å; W402-F438 HydrophobicContact CE3-CE2 3.64Å; W402-F438 AromaticContact CE3-CZ 3.63Å; W402-F438 HydrophobicContact CE3-CZ 3.63Å; W402-F438 HydrophobicContact CG-CE2 4.46Å; W402-F438 HydrophobicContact CZ3-CE2 4.49Å; W402-F438 HydrophobicContact CZ3-CZ 4.06Å; F438-P440 CarbonylContact O-C 3.41Å; F438-V443 HydrophobicContact CE2-CB 4.25Å; F438-V443 HydrophobicContact CE2-CG1 3.98Å; F438-V443 HydrophobicContact CZ-CG1 4.07Å; F438-Y444 AromaticContact CD1-CD2 3.75Å; F438-Y444 HydrophobicContact CD1-CD2 3.75Å; F438-Y444 HydrophobicContact CD1-CG 4.28Å; F438-Y444 AromaticContact CE1-CD2 3.75Å; F438-Y444 HydrophobicContact CE1-CD2 3.75Å; F438-Y444 HydrophobicContact CE1-CG 4.25Å; F438-L448 HydrophobicContact CD1-CD2 4.27Å; F438-L448 HydrophobicContact CE1-CB 3.83Å; F438-L448 HydrophobicContact CE1-CD2 3.5Å; F438-L448 HydrophobicContact CE1-CG 4.25Å; F438-L448 HydrophobicContact CZ-CB 4.02Å; F438-L448 HydrophobicContact CZ-CD2 4.4Å
439	N	81.4	Confident	89.2	Confident	15 Å²	15	14.5 Å²	14.5	8%	0.08	7%	0.07	C	C	.	.	B	Isolated β-bridge	trans	-92.4	135.9	176	-80.9	-28.2	0	0	0	111.6	P400 L401 W402	P400-N439 PolarHBondContact O-N 3.08Å; L401-N439 HydrophobicContact CD2-CB 3.99Å; W402-N439 PolarHBondContact N-O 2.89Å
440	P	86.9	Confident	89.2	Confident	28 Å²	28	15.8 Å²	15.8	18%	0.182	8%	0.075	C	C	.	.	S	Bend	cis	-80.4	139.9	2.4	15.3	-5.5	0	0	0	113.2	Y407 F438 Q442 V443 Y444	Y407-P440 VanDerWaalsContact CE1-CD 3.48Å; Y407-P440 HydrophobicContact CE1-CG 3.89Å; Y407-P440 HydrophobicContact CE2-CG 4.25Å; Y407-P440 WeakPolarHBondContact OH-CD 3.37Å; F438-P440 CarbonylContact O-C 3.41Å; P440-Q442 VanDerWaalsContact C-N 3.3Å; P440-Q442 PolarHBondContact O-N 3.25Å; P440-V443 HydrophobicContact CB-CG2 4.43Å; P440-V443 HydrophobicContact CG-CB 4.25Å; P440-V443 HydrophobicContact CG-CG2 3.71Å; P440-V443 WeakPolarHBondContact O-CB 3.43Å; P440-V443 PolarHBondContact O-N 3.01Å; P440-Y444 PolarHBondContact O-N 3.34Å
441	I	87.7	Confident	89.3	Confident	18 Å²	18	21.1 Å²	21.1	9%	0.092	10%	0.095	C	C	.	.	H	α-helix	trans	-58.4	-37.5	-173.7	-69.6	170.7	0	0	0	113	N310 Y311 A312 L399 V443 Y444 L445	N310-I441 HydrophobicContact CB-CD1 4.02Å; Y311-I441 HydrophobicContact CD1-CG2 3.99Å; A312-I441 HydrophobicContact CB-CG2 3.68Å; L399-I441 HydrophobicContact CD1-CD1 4.34Å; L399-I441 HydrophobicContact CD1-CG1 4.26Å; I441-V443 PolarHBondContact O-N 3.07Å; I441-Y444 WeakPolarHBondContact O-CB 3.15Å; I441-Y444 PolarHBondContact O-N 3.09Å; I441-Y444 VanDerWaalsContact O-N 3.15Å; I441-L445 HydrophobicContact CG2-CD1 3.71Å; I441-L445 HydrophobicContact CG2-CG 4.05Å; I441-L445 WeakPolarHBondContact O-CG 3.39Å; I441-L445 PolarHBondContact O-N 3.33Å
442	Q	90.1	Very high	89.3	Confident	55 Å²	55	21.1 Å²	21.1	26%	0.257	10%	0.096	S	C	.	.	H	α-helix	trans	-61.6	-33.3	177.9	67.1	-110.1	28.4	0	0	112.9	I413 P440 T446	I413-Q442 HydrophobicContact CD1-CB 3.63Å; I413-Q442 HydrophobicContact CG1-CB 4.08Å; P440-Q442 VanDerWaalsContact C-N 3.3Å; P440-Q442 PolarHBondContact O-N 3.25Å; Q442-T446 PolarHBondContact O-N 3.2Å; Q442-T446 PolarHBondContact O-OG1 2.93Å
443	V	91.8	Very high	89.3	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.096	C	C	.	.	I	π-helix	trans	-73.2	-37.5	177.2	178.4	0	0	0	0	110	Y407 P408 F438 P440 I441 G447 L448	Y407-V443 HydrophobicContact CD1-CB 4.34Å; Y407-V443 HydrophobicContact CD1-CG1 3.78Å; Y407-V443 HydrophobicContact CD1-CG2 3.92Å; Y407-V443 HydrophobicContact CD2-CG2 4.36Å; Y407-V443 HydrophobicContact CE1-CG2 4.35Å; Y407-V443 HydrophobicContact CG-CG1 4.22Å; Y407-V443 HydrophobicContact CG-CG2 3.91Å; P408-V443 HydrophobicContact CG-CG1 3.77Å; F438-V443 HydrophobicContact CE2-CB 4.25Å; F438-V443 HydrophobicContact CE2-CG1 3.98Å; F438-V443 HydrophobicContact CZ-CG1 4.07Å; P440-V443 HydrophobicContact CB-CG2 4.43Å; P440-V443 HydrophobicContact CG-CB 4.25Å; P440-V443 HydrophobicContact CG-CG2 3.71Å; P440-V443 WeakPolarHBondContact O-CB 3.43Å; P440-V443 PolarHBondContact O-N 3.01Å; I441-V443 PolarHBondContact O-N 3.07Å; V443-G447 CarbonylContact O-C 3.43Å; V443-G447 WeakPolarHBondContact O-CA 3.06Å; V443-G447 PolarHBondContact O-N 3.04Å; V443-L448 PolarHBondContact O-N 2.86Å
444	Y	91.8	Very high	89.6	Confident	1 Å²	1	21.9 Å²	21.9	0%	0.004	10%	0.102	C	C	.	.	I	π-helix	trans	-60.2	-55.6	171	167.4	-104.3	0	0	0	111.4	A312 I316 S432 Y435 P437 F438 P440 I441 L448 V449	A312-Y444 HydrophobicContact CB-CD1 3.85Å; A312-Y444 HydrophobicContact CB-CE1 3.88Å; I316-Y444 HydrophobicContact CD1-CE1 4.11Å; S432-Y444 PolarHBondContact O-OH 3.02Å; Y435-Y444 PolarHBondContact O-OH 3.44Å; P437-Y444 HydrophobicContact CB-CD1 4.11Å; P437-Y444 HydrophobicContact CB-CE1 3.91Å; P437-Y444 HydrophobicContact CB-CE2 4.38Å; P437-Y444 HydrophobicContact CB-CG 4.43Å; P437-Y444 HydrophobicContact CG-CE1 3.92Å; P437-Y444 HydrophobicContact CG-CE2 4.44Å; F438-Y444 AromaticContact CD1-CD2 3.75Å; F438-Y444 HydrophobicContact CD1-CD2 3.75Å; F438-Y444 HydrophobicContact CD1-CG 4.28Å; F438-Y444 AromaticContact CE1-CD2 3.75Å; F438-Y444 HydrophobicContact CE1-CD2 3.75Å; F438-Y444 HydrophobicContact CE1-CG 4.25Å; P440-Y444 PolarHBondContact O-N 3.34Å; I441-Y444 WeakPolarHBondContact O-CB 3.15Å; I441-Y444 PolarHBondContact O-N 3.09Å; I441-Y444 VanDerWaalsContact O-N 3.15Å; Y444-L448 PolarHBondContact O-N 2.04Å; Y444-V449 HydrophobicContact CD2-CG2 4.1Å; Y444-V449 HydrophobicContact CE1-CG2 4.14Å; Y444-V449 HydrophobicContact CE2-CG2 3.7Å; Y444-V449 WeakPolarHBondContact O-CG2 3.39Å; Y444-V449 PolarHBondContact O-N 3.12Å
445	L	93.8	Very high	90	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.093	C	C	.	.	I	π-helix	trans	-65.1	-51.2	-173.4	-69.3	172.4	0	0	0	113.1	A312 H315 I413 W428 I441	A312-L445 HydrophobicContact CB-CD2 3.96Å; A312-L445 HydrophobicContact CB-CG 4.28Å; H315-L445 HydrophobicContact CB-CD1 4.26Å; H315-L445 HydrophobicContact CB-CD2 4.08Å; I413-L445 HydrophobicContact CD1-CD1 4.4Å; W428-L445 HydrophobicContact CH2-CD2 3.86Å; W428-L445 HydrophobicContact CZ2-CB 4.16Å; W428-L445 HydrophobicContact CZ2-CD2 3.6Å; W428-L445 HydrophobicContact CZ2-CG 4.46Å; W428-L445 PolarHBondContact NE1-O 3.04Å; I441-L445 HydrophobicContact CG2-CD1 3.71Å; I441-L445 HydrophobicContact CG2-CG 4.05Å; I441-L445 WeakPolarHBondContact O-CG 3.39Å; I441-L445 PolarHBondContact O-N 3.33Å
446	T	94.9	Very high	90.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.11	C	C	.	.	I	π-helix	trans	-107.8	-10	-170.1	61.1	0	0	0	0	113.6	C411 I413 F418 Q442 R450	C411-T446 HydrophobicContact CB-CG2 3.91Å; C411-T446 PolarHBondContact N-OG1 3.38Å; I413-T446 HydrophobicContact CD1-CG2 3.69Å; I413-T446 HydrophobicContact CG1-CG2 4.09Å; F418-T446 HydrophobicContact CD1-CG2 3.89Å; F418-T446 HydrophobicContact CD2-CG2 4.31Å; F418-T446 HydrophobicContact CE1-CG2 4.11Å; F418-T446 HydrophobicContact CG-CG2 3.99Å; F418-T446 HydrophobicContact CZ-CG2 4.4Å; Q442-T446 PolarHBondContact O-N 3.2Å; Q442-T446 PolarHBondContact O-OG1 2.93Å; T446-R450 VanDerWaalsContact O-CB 3.26Å; T446-R450 WeakPolarHBondContact O-CB 3.28Å; T446-R450 WeakPolarHBondContact O-CD 3.24Å; T446-R450 PolarHBondContact O-NE 3.44Å
447	G	93.9	Very high	90.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.118	C	C	.	.	I	π-helix	trans	-96.7	-73.7	173	0	0	0	0	0	111.9	T409 V443 Y451	T409-G447 WeakPolarHBondContact O-CA 3.32Å; V443-G447 CarbonylContact O-C 3.43Å; V443-G447 WeakPolarHBondContact O-CA 3.06Å; V443-G447 PolarHBondContact O-N 3.04Å; G447-Y451 VanDerWaalsContact O-CB 3.25Å; G447-Y451 WeakPolarHBondContact O-CB 3.5Å; G447-Y451 PolarHBondContact O-N 3.2Å
448	L	92.9	Very high	90.9	Very high	8 Å²	8	27.1 Å²	27.1	4%	0.042	13%	0.127	C	C	.	.	I	π-helix	trans	-67.6	-57.4	-174.1	-177	70.3	0	0	0	112.1	F176 Y435 F438 V443 Y444 R450 Y451 V452	F176-L448 HydrophobicContact CB-CD2 4.04Å; F176-L448 HydrophobicContact CD2-CD2 4.1Å; F176-L448 HydrophobicContact CG-CD2 4.39Å; Y435-L448 HydrophobicContact CD1-CD2 3.94Å; Y435-L448 HydrophobicContact CG-CD2 4.43Å; F438-L448 HydrophobicContact CD1-CD2 4.27Å; F438-L448 HydrophobicContact CE1-CB 3.83Å; F438-L448 HydrophobicContact CE1-CD2 3.5Å; F438-L448 HydrophobicContact CE1-CG 4.25Å; F438-L448 HydrophobicContact CZ-CB 4.02Å; F438-L448 HydrophobicContact CZ-CD2 4.4Å; V443-L448 PolarHBondContact O-N 2.86Å; Y444-L448 PolarHBondContact O-N 2.04Å; L448-R450 PolarHBondContact O-N 3.21Å; L448-Y451 WeakPolarHBondContact O-CB 3.24Å; L448-Y451 PolarHBondContact O-N 3.21Å; L448-V452 HydrophobicContact CD1-CG1 3.99Å; L448-V452 HydrophobicContact CG-CG1 4.31Å; L448-V452 WeakPolarHBondContact O-CG2 3.18Å; L448-V452 PolarHBondContact O-N 3.14Å
449	V	93.2	Very high	90.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.3	-41.8	-175.3	172.4	0	0	0	0	110.7	W428 Y444 V452 A453	W428-V449 HydrophobicContact CD2-CG1 4.28Å; W428-V449 HydrophobicContact CG-CG1 4.03Å; W428-V449 VanDerWaalsContact O-CG1 3.24Å; W428-V449 WeakPolarHBondContact O-CG1 3.19Å; Y444-V449 HydrophobicContact CD2-CG2 4.1Å; Y444-V449 HydrophobicContact CE1-CG2 4.14Å; Y444-V449 HydrophobicContact CE2-CG2 3.7Å; Y444-V449 WeakPolarHBondContact O-CG2 3.39Å; Y444-V449 PolarHBondContact O-N 3.12Å; V449-V452 WeakPolarHBondContact O-CG2 3.5Å; V449-A453 WeakPolarHBondContact O-CB 3.46Å; V449-A453 PolarHBondContact O-N 3.49Å
450	R	94	Very high	90.7	Very high	27 Å²	27	28.5 Å²	28.5	10%	0.102	14%	0.136	C	C	.	.	H	α-helix	trans	-56.4	-54.3	171.7	179.7	-147.6	58.5	90.7	-5.4	111.8	I375 T446 L448 V452 A453 K454 I455	I375-R450 HydrophobicContact CD1-CB 3.78Å; I375-R450 HydrophobicContact CD1-CG 3.7Å; I375-R450 HydrophobicContact CG1-CG 4.48Å; T446-R450 VanDerWaalsContact O-CB 3.26Å; T446-R450 WeakPolarHBondContact O-CB 3.28Å; T446-R450 WeakPolarHBondContact O-CD 3.24Å; T446-R450 PolarHBondContact O-NE 3.44Å; L448-R450 PolarHBondContact O-N 3.21Å; R450-V452 PolarHBondContact O-N 3.46Å; R450-A453 CarbonylContact O-C 3.54Å; R450-A453 PolarHBondContact O-N 2.71Å; R450-A453 VanDerWaalsContact O-N 3.13Å; R450-K454 PolarHBondContact O-N 2.84Å; R450-I455 VanDerWaalsContact CD-O 3.23Å; R450-I455 WeakPolarHBondContact CD-O 3.41Å; R450-I455 HydrophobicContact CG-CB 3.73Å; R450-I455 HydrophobicContact CG-CG2 3.93Å; R450-I455 WeakPolarHBondContact CG-O 3.29Å; R450-I455 PolarHBondContact NH1-O 3.02Å; R450-I455 PolarHBondContact O-N 3.39Å; R450-I455 VanDerWaalsContact O-N 3.14Å
451	Y	92.5	Very high	89.6	Confident	119 Å²	119	31.1 Å²	31.1	47%	0.467	14%	0.143	S	C	.	.	H	α-helix	trans	-57.1	-48.5	-177.4	175.8	-97.8	0	0	0	111.7	L171 G447 L448 A453 K454	L171-Y451 HydrophobicContact CD1-CD1 4.45Å; L171-Y451 HydrophobicContact CD1-CE1 4.01Å; G447-Y451 VanDerWaalsContact O-CB 3.25Å; G447-Y451 WeakPolarHBondContact O-CB 3.5Å; G447-Y451 PolarHBondContact O-N 3.2Å; L448-Y451 WeakPolarHBondContact O-CB 3.24Å; L448-Y451 PolarHBondContact O-N 3.21Å; Y451-A453 PolarHBondContact O-N 2.96Å; Y451-K454 PolarHBondContact O-N 2.96Å
452	V	92	Very high	87.7	Confident	1 Å²	1	35 Å²	35	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-69	-24.1	-179.8	-57.7	0	0	0	0	112.6	C170 L171 C431 Y435 L448 V449 R450 K454	C170-V452 WeakPolarHBondContact CA-O 3.36Å; L171-V452 HydrophobicContact CB-CB 4.23Å; L171-V452 PolarHBondContact N-O 3.35Å; C431-V452 HydrophobicContact CB-CG2 3.97Å; Y435-V452 HydrophobicContact CD2-CG2 3.8Å; Y435-V452 HydrophobicContact CE1-CG1 4.1Å; Y435-V452 HydrophobicContact CE2-CB 3.77Å; Y435-V452 HydrophobicContact CE2-CG1 3.93Å; Y435-V452 HydrophobicContact CE2-CG2 3.52Å; L448-V452 HydrophobicContact CD1-CG1 3.99Å; L448-V452 HydrophobicContact CG-CG1 4.31Å; L448-V452 WeakPolarHBondContact O-CG2 3.18Å; L448-V452 PolarHBondContact O-N 3.14Å; V449-V452 WeakPolarHBondContact O-CG2 3.5Å; R450-V452 PolarHBondContact O-N 3.46Å; V452-K454 VanDerWaalsContact C-N 3.28Å
453	A	92.4	Very high	85.3	Confident	3 Å²	3	38.7 Å²	38.7	3%	0.025	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-0.5	173.1	0	0	0	0	0	113.9	C431 V449 R450 Y451 I455	C431-A453 HydrophobicContact CB-CB 4.02Å; C431-A453 VanDerWaalsContact SG-CA 3.55Å; C431-A453 VanDerWaalsContact SG-CB 3.59Å; V449-A453 WeakPolarHBondContact O-CB 3.46Å; V449-A453 PolarHBondContact O-N 3.49Å; R450-A453 CarbonylContact O-C 3.54Å; R450-A453 PolarHBondContact O-N 2.71Å; R450-A453 VanDerWaalsContact O-N 3.13Å; Y451-A453 PolarHBondContact O-N 2.96Å; A453-I455 HydrophobicContact CB-CD1 3.52Å; A453-I455 HydrophobicContact CB-CG1 3.81Å; A453-I455 PolarHBondContact O-N 3.38Å
454	K	92	Very high	82.9	Confident	119 Å²	119	46 Å²	46	52%	0.517	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	39.7	-175.8	-53.4	179.4	-177.8	-180	0	112.7	L171 R450 Y451 V452	L171-K454 HydrophobicContact CG-CG 4.42Å; R450-K454 PolarHBondContact O-N 2.84Å; Y451-K454 PolarHBondContact O-N 2.96Å; V452-K454 VanDerWaalsContact C-N 3.28Å
455	I	93.3	Very high	80.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.225	C	C	.	.			trans	-99.6	131.5	178.2	-63.4	168.6	0	0	0	108.1	P373 I375 T424 Q427 W428 R450 A453	P373-I455 HydrophobicContact CB-CG1 4.21Å; P373-I455 HydrophobicContact CG-CG1 4Å; P373-I455 CarbonylContact O-C 3.42Å; P373-I455 VanDerWaalsContact O-CA 3.25Å; P373-I455 WeakPolarHBondContact O-CA 3.44Å; P373-I455 WeakPolarHBondContact O-CG2 3.41Å; I375-I455 HydrophobicContact CB-CG2 4.48Å; I375-I455 HydrophobicContact CD1-CG2 4.36Å; I375-I455 HydrophobicContact CG1-CG2 3.87Å; T424-I455 HydrophobicContact CG2-CB 4.5Å; T424-I455 HydrophobicContact CG2-CD1 3.67Å; T424-I455 HydrophobicContact CG2-CG1 3.95Å; T424-I455 HydrophobicContact CG2-CG2 3.71Å; Q427-I455 HydrophobicContact CB-CD1 4.37Å; W428-I455 HydrophobicContact CB-CD1 3.72Å; R450-I455 VanDerWaalsContact CD-O 3.23Å; R450-I455 WeakPolarHBondContact CD-O 3.41Å; R450-I455 HydrophobicContact CG-CB 3.73Å; R450-I455 HydrophobicContact CG-CG2 3.93Å; R450-I455 WeakPolarHBondContact CG-O 3.29Å; R450-I455 PolarHBondContact NH1-O 3.02Å; R450-I455 PolarHBondContact O-N 3.39Å; R450-I455 VanDerWaalsContact O-N 3.14Å; A453-I455 HydrophobicContact CB-CD1 3.52Å; A453-I455 HydrophobicContact CB-CG1 3.81Å; A453-I455 PolarHBondContact O-N 3.38Å
456	D	93.2	Very high	78.2	Confident	68 Å²	68	50.1 Å²	50.1	36%	0.364	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	165.2	178.6	-70	-31.4	0	0	0	112	N372 P373 S374 I375	N372-D456 WeakPolarHBondContact CB-OD2 3.22Å; N372-D456 PolarHBondContact ND2-OD2 2.91Å; P373-D456 PolarHBondContact O-N 3.47Å; S374-D456 CarbonylContact C-O 3.56Å; S374-D456 WeakPolarHBondContact CA-O 3.2Å; I375-D456 PolarHBondContact N-O 2.88Å
457	I	90.4	Very high	76.1	Confident	40 Å²	40	53.1 Å²	53.1	21%	0.205	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.3	169	-64.3	178.3	0	0	0	107.2	P379 T409	P379-I457 HydrophobicContact CB-CG2 3.96Å; T409-I457 HydrophobicContact CG2-CD1 3.67Å; T409-I457 WeakPolarHBondContact O-CD1 3.41Å
458	E	88.6	Confident	73.7	Confident	68 Å²	68	53.5 Å²	53.5	32%	0.318	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.3	168.2	-172.6	175.6	169.6	0	0	109.1	K354 I375 Y376 C377	K354-E458 VanDerWaalsContact CE-OE1 3.32Å; K354-E458 WeakPolarHBondContact CE-OE1 3.4Å; K354-E458 IonicContact NZ-OE1 2.55Å; K354-E458 PolarHBondContact NZ-OE1 2.96Å; K354-E458 IonicContact NZ-OE2 3.05Å; K354-E458 PolarHBondContact NZ-OE2 3.33Å; I375-E458 PolarHBondContact O-N 3.18Å; Y376-E458 VanDerWaalsContact CA-O 3.25Å; Y376-E458 WeakPolarHBondContact CA-O 3.11Å; Y376-E458 HydrophobicContact CD1-CB 3.77Å; Y376-E458 HydrophobicContact CD1-CG 4.13Å; Y376-E458 HydrophobicContact CE1-CB 4.15Å; Y376-E458 HydrophobicContact CE1-CG 4.44Å; Y376-E458 VanDerWaalsContact CE1-OE2 3.22Å; Y376-E458 WeakPolarHBondContact CE1-OE2 3.09Å; C377-E458 PolarHBondContact N-O 3.2Å
459	S	83.2	Confident	71.5	Confident	35 Å²	35	57.2 Å²	57.2	25%	0.245	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	144.9	174.3	-175.1	0	0	0	0	110.3	C377 T462	C377-S459 VanDerWaalsContact O-CA 3.23Å; C377-S459 WeakPolarHBondContact O-CA 3.47Å; S459-T462 VanDerWaalsContact CB-CG2 3.48Å; S459-T462 WeakPolarHBondContact OG-CG2 3.44Å
460	Y	75.3	Confident	69.4	Low	8 Å²	8	57.5 Å²	57.5	3%	0.031	28%	0.28	C	S	.	.	S	Bend	trans	-52.9	153.5	157.8	-61.9	-55.2	0	0	0	109.8	Y350 Y376 C377 I378 L419 T462 L484 F485	Y350-Y460 HydrophobicContact CE1-CD1 4.13Å; Y350-Y460 HydrophobicContact CE1-CE1 4.45Å; Y376-Y460 VanDerWaalsContact O-CZ 3.28Å; Y376-Y460 PolarHBondContact O-OH 3.03Å; Y376-Y460 VanDerWaalsContact O-OH 3.09Å; C377-Y460 HydrophobicContact CB-CE2 4.49Å; C377-Y460 PolarHBondContact O-N 2.85Å; I378-Y460 HydrophobicContact CG1-CD2 4.15Å; L419-Y460 HydrophobicContact CB-CE1 4.05Å; L419-Y460 HydrophobicContact CD2-CE1 4.35Å; L419-Y460 PolarHBondContact N-OH 3.36Å; Y460-T462 WeakPolarHBondContact O-CG2 3.42Å; Y460-T462 PolarHBondContact O-N 2.83Å; Y460-L484 HydrophobicContact CD1-CD2 3.53Å; Y460-L484 HydrophobicContact CD2-CD2 3.47Å; Y460-L484 VanDerWaalsContact CD2-CD2 3.47Å; Y460-L484 HydrophobicContact CE1-CD2 3.91Å; Y460-L484 HydrophobicContact CE2-CD2 3.84Å; Y460-L484 HydrophobicContact CG-CD2 3.3Å; Y460-F485 HydrophobicContact CD2-CE2 4.26Å; Y460-F485 AromaticContact CE2-CE2 3.61Å; Y460-F485 HydrophobicContact CE2-CE2 3.61Å; Y460-F485 HydrophobicContact CE2-CZ 4.37Å; Y460-F485 AromaticContact CZ-CE2 3.95Å
461	W	63.7	Low	67	Low	84 Å²	84	61.6 Å²	61.6	32%	0.318	30%	0.303	S	S	.	.			trans	-36.9	108.3	-177.8	-72.2	-27.3	0	0	0	111.9	V346 Q349 Y350 N463 W465	V346-W461 HydrophobicContact CG1-CZ3 4.36Å; Q349-W461 HydrophobicContact CB-CH2 3.98Å; Q349-W461 HydrophobicContact CB-CZ3 4.38Å; Y350-W461 AromaticContact CD2-CD1 3.83Å; Y350-W461 AromaticContact CD2-CD2 3.62Å; Y350-W461 HydrophobicContact CD2-CD2 3.62Å; Y350-W461 AromaticContact CD2-CE2 3.51Å; Y350-W461 HydrophobicContact CD2-CE3 4.15Å; Y350-W461 AromaticContact CD2-CG 3.86Å; Y350-W461 HydrophobicContact CD2-CG 3.86Å; Y350-W461 HydrophobicContact CD2-CZ2 4.01Å; Y350-W461 AromaticContact CD2-NE1 3.61Å; Y350-W461 AromaticContact CE2-CD1 3.75Å; Y350-W461 HydrophobicContact CE2-CD2 4.3Å; Y350-W461 HydrophobicContact CE2-CG 4.07Å; Y350-W461 AromaticContact CE2-NE1 3.8Å; W461-N463 PolarHBondContact O-N 3.44Å; W461-W465 HydrophobicContact CE3-CZ2 4.29Å; W461-W465 AromaticContact CE3-NE1 3.66Å
462	T	48.3	Very low	64.2	Low	98 Å²	98	58.5 Å²	58.5	60%	0.601	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-17.8	-167.2	46.5	0	0	0	0	113.9	S459 Y460	S459-T462 VanDerWaalsContact CB-CG2 3.48Å; S459-T462 WeakPolarHBondContact OG-CG2 3.44Å; Y460-T462 WeakPolarHBondContact O-CG2 3.42Å; Y460-T462 PolarHBondContact O-N 2.83Å
463	N	41	Very low	61.2	Low	133 Å²	133	61.9 Å²	61.9	71%	0.711	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-7.2	-165.4	-64.5	-0.1	0	0	0	114.8	W461	W461-N463 PolarHBondContact O-N 3.44Å
464	Y	40	Very low	58.5	Low	155 Å²	155	66.2 Å²	66.2	61%	0.608	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.8	-4.2	-175.1	-69.1	-77.7	0	0	0	115.5	K482	Y464-K482 PolarHBondContact O-N 3.14Å; Y464-K482 VanDerWaalsContact O-N 3.13Å; Y464-K482 VanDerWaalsContact O-O 3.1Å
465	W	45.6	Very low	55.7	Low	45 Å²	45	65 Å²	65	17%	0.17	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-126	110.4	-162.1	-51	85.3	0	0	0	112.5	V346 W461 K482 Y483 L484	V346-W465 HydrophobicContact CB-CH2 3.66Å; V346-W465 HydrophobicContact CB-CZ2 4.31Å; V346-W465 HydrophobicContact CB-CZ3 3.9Å; V346-W465 HydrophobicContact CG1-CD2 4.24Å; V346-W465 HydrophobicContact CG1-CE3 3.9Å; V346-W465 HydrophobicContact CG1-CH2 3.09Å; V346-W465 HydrophobicContact CG1-CZ2 3.32Å; V346-W465 HydrophobicContact CG1-CZ3 3.38Å; V346-W465 HydrophobicContact CG2-CH2 3.1Å; V346-W465 HydrophobicContact CG2-CZ2 4.08Å; V346-W465 HydrophobicContact CG2-CZ3 3.46Å; V346-W465 VanDerWaalsContact CG2-CZ3 3.46Å; W461-W465 HydrophobicContact CE3-CZ2 4.29Å; W461-W465 AromaticContact CE3-NE1 3.66Å; W465-K482 VanDerWaalsContact CA-O 3.22Å; W465-K482 WeakPolarHBondContact CA-O 3.23Å; W465-K482 HydrophobicContact CD2-CB 3.74Å; W465-K482 VanDerWaalsContact CD2-O 3.29Å; W465-K482 HydrophobicContact CE3-CB 3.57Å; W465-K482 HydrophobicContact CH2-CB 3.07Å; W465-K482 HydrophobicContact CH2-CD 3.37Å; W465-K482 HydrophobicContact CH2-CG 3.16Å; W465-K482 HydrophobicContact CZ2-CB 3.4Å; W465-K482 HydrophobicContact CZ2-CD 3.38Å; W465-K482 HydrophobicContact CZ2-CG 3.65Å; W465-K482 HydrophobicContact CZ3-CB 3.19Å; W465-K482 HydrophobicContact CZ3-CD 4.38Å; W465-K482 HydrophobicContact CZ3-CG 3.72Å; W465-Y483 VanDerWaalsContact CE3-CA 3.46Å; W465-Y483 VanDerWaalsContact CZ3-C 3.42Å; W465-Y483 WeakPolarHBondContact CZ3-O 3.35Å; W465-L484 HydrophobicContact CE3-CB 4.25Å; W465-L484 VanDerWaalsContact CE3-N 3.33Å
466	S	42	Very low	53.2	Low	41 Å²	41	72.5 Å²	72.5	29%	0.287	39%	0.387	S	S	.	.			trans	-102.6	165.2	166.1	55.5	0	0	0	0	110	Y483	S466-Y483 WeakPolarHBondContact O-CD1 3.41Å; S466-Y483 VanDerWaalsContact OG-CE1 3.29Å; S466-Y483 WeakPolarHBondContact OG-CE1 3.49Å
467	I	49.7	Very low	50.5	Low	63 Å²	63	75.5 Å²	75.5	32%	0.323	40%	0.403	S	S	.	.			trans	-80.7	133.5	167.5	-60.7	148.1	0	0	0	108.2	I378 T415 Q487	I378-I467 HydrophobicContact CD1-CD1 3.58Å; I378-I467 HydrophobicContact CD1-CG1 3.68Å; T415-I467 HydrophobicContact CG2-CD1 4.24Å; T415-I467 WeakPolarHBondContact OG1-CD1 3.18Å; I467-Q487 VanDerWaalsContact CG2-CD 3.49Å; I467-Q487 HydrophobicContact CG2-CG 3.74Å
468	G	45	Very low	48.2	Very low	8 Å²	8	83.4 Å²	83.4	8%	0.082	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	147.4	179.7	0	0	0	0	0	111.3	Y483 F486 Q487	G468-Y483 VanDerWaalsContact CA-CE1 3.42Å; G468-Y483 VanDerWaalsContact N-CD1 3.28Å; G468-F486 WeakPolarHBondContact O-CA 3.5Å; G468-Q487 PolarHBondContact O-N 3.1Å; G468-Q487 VanDerWaalsContact O-N 3.1Å
469	N	47.2	Very low	46	Very low	86 Å²	86	89.2 Å²	89.2	46%	0.46	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	134.8	162.9	-70.2	-39.4	0	0	0	107.8	L471	N469-L471 VanDerWaalsContact C-N 3.35Å; N469-L471 PolarHBondContact O-N 3.27Å
470	L	48.4	Very low	44	Very low	6 Å²	6	91 Å²	91	3%	0.031	47%	0.472	C	S	.	.			trans	-65.4	99.7	167.5	-153.6	109.1	0	0	0	106.7	F341 F486 Q487 Q492 V496 W497 V500	F341-L470 HydrophobicContact CB-CD1 4.49Å; F341-L470 HydrophobicContact CD1-CD1 4.13Å; F341-L470 HydrophobicContact CG-CD1 4.44Å; L470-F486 HydrophobicContact CB-CB 4.05Å; L470-F486 HydrophobicContact CD1-CB 3.52Å; L470-F486 HydrophobicContact CD1-CD1 3.93Å; L470-F486 HydrophobicContact CD1-CD2 4.28Å; L470-F486 HydrophobicContact CD1-CG 3.68Å; L470-F486 HydrophobicContact CG-CB 4.39Å; L470-Q487 PolarHBondContact N-O 3.34Å; L470-Q492 HydrophobicContact CB-CG 4.38Å; L470-Q492 HydrophobicContact CD2-CB 4.06Å; L470-Q492 HydrophobicContact CD2-CG 3.58Å; L470-Q492 PolarHBondContact O-NE2 2.94Å; L470-V496 HydrophobicContact CD2-CG1 3.95Å; L470-W497 HydrophobicContact CD1-CZ3 4.03Å; L470-W497 HydrophobicContact CD2-CE3 4.31Å; L470-W497 HydrophobicContact CD2-CZ3 4.07Å; L470-V500 HydrophobicContact CD1-CG1 4.06Å; L470-V500 HydrophobicContact CD2-CG2 4.21Å; L470-V500 HydrophobicContact CG-CG2 4.4Å
471	L	42.3	Very low	42.7	Very low	113 Å²	113	97 Å²	97	59%	0.592	50%	0.499	S	S	*	.			trans	-84.4	130.5	172.1	-71.3	169.9	0	0	0	107.8	N469 S473 V474	N469-L471 VanDerWaalsContact C-N 3.35Å; N469-L471 PolarHBondContact O-N 3.27Å; L471-S473 PolarHBondContact O-N 3.1Å; L471-V474 HydrophobicContact CB-CG2 3.82Å; L471-V474 HydrophobicContact CD1-CG2 4Å
472	P	34.1	Very low	42.2	Very low	54 Å²	54	97.9 Å²	97.9	35%	0.351	51%	0.505	S	S	.	.	S	Bend	trans	-61.6	128.8	164.9	28.3	-29.7	0	0	0	107.1	V496	P472-V496 HydrophobicContact CB-CG1 4.18Å; P472-V496 HydrophobicContact CB-CG2 3.93Å
473	S	29.6	Very low	42.8	Very low	73 Å²	73	96.3 Å²	96.3	51%	0.51	49%	0.488	S	S	.	.	S	Bend	trans	49.6	76.6	172.7	60.7	0	0	0	0	116.1	L471	L471-S473 PolarHBondContact O-N 3.1Å
474	V	36.5	Very low	44.1	Very low	93 Å²	93	90.5 Å²	90.5	56%	0.564	46%	0.457	S	S	*	.			trans	-138.9	117.1	160.5	-163.6	0	0	0	0	109.2	L471 F476	L471-V474 HydrophobicContact CB-CG2 3.82Å; L471-V474 HydrophobicContact CD1-CG2 4Å; V474-F476 PolarHBondContact O-N 3.16Å
475	S	32.6	Very low	45.8	Very low	95 Å²	95	83.4 Å²	83.4	66%	0.664	43%	0.429	S	S	*	.			trans	-15.7	124.7	166.8	45.9	0	0	0	0	114	N477	S475-N477 PolarHBondContact O-N 2.86Å
476	F	39.6	Very low	47	Very low	157 Å²	157	82.5 Å²	82.5	69%	0.689	43%	0.427	S	S	*	.			trans	-55.7	89.3	158.5	-85.6	-89.2	0	0	0	107.5	V474 K478 A503	V474-F476 PolarHBondContact O-N 3.16Å; F476-K478 PolarHBondContact O-N 3.3Å; F476-K478 VanDerWaalsContact O-N 3.1Å; F476-A503 HydrophobicContact CE2-CB 4.2Å
477	N	38.1	Very low	48.4	Very low	131 Å²	131	82.5 Å²	82.5	70%	0.701	42%	0.422	S	S	*	.			trans	-62.6	118.1	174	-151.8	-16.6	0	0	0	105.4	S475 K479	S475-N477 PolarHBondContact O-N 2.86Å; N477-K479 CarbonylContact O-C 3.56Å; N477-K479 VanDerWaalsContact O-C 3.26Å; N477-K479 PolarHBondContact O-N 3.32Å
478	K	41.7	Very low	49.3	Very low	205 Å²	205	84.8 Å²	84.8	89%	0.891	43%	0.43	S	S	*	.	S	Bend	trans	-53.9	-6.7	-170	-79.1	179	173.7	177.7	0	115	F476 S480	F476-K478 PolarHBondContact O-N 3.3Å; F476-K478 VanDerWaalsContact O-N 3.1Å; K478-S480 VanDerWaalsContact C-N 3.27Å; K478-S480 PolarHBondContact O-N 3.44Å; K478-S480 VanDerWaalsContact O-N 3.15Å
479	K	41.7	Very low	50.3	Low	190 Å²	190	84.5 Å²	84.5	83%	0.826	43%	0.426	S	S	*	.	S	Bend	trans	-82.7	77.1	161.4	-66.1	-174.6	178.9	-176.4	0	108.8	N477 K481	N477-K479 CarbonylContact O-C 3.56Å; N477-K479 VanDerWaalsContact O-C 3.26Å; N477-K479 PolarHBondContact O-N 3.32Å; K479-K481 VanDerWaalsContact C-N 3.31Å; K479-K481 PolarHBondContact O-N 3.04Å
480	S	42.5	Very low	51.2	Low	73 Å²	73	82 Å²	82	51%	0.51	41%	0.414	S	S	.	.			trans	-56.9	81.3	-171.8	59.5	0	0	0	0	113.3	K478 K482	K478-S480 VanDerWaalsContact C-N 3.27Å; K478-S480 PolarHBondContact O-N 3.44Å; K478-S480 VanDerWaalsContact O-N 3.15Å; S480-K482 PolarHBondContact O-N 2.93Å
481	K	46.5	Very low	52.2	Low	133 Å²	133	87.7 Å²	87.7	58%	0.578	45%	0.445	S	S	*	.			trans	-69.1	114.2	154.7	-73.7	-168.2	177.2	-171.5	0	106.4	K479 Y483	K479-K481 VanDerWaalsContact C-N 3.31Å; K479-K481 PolarHBondContact O-N 3.04Å; K481-Y483 HydrophobicContact CB-CE2 3.93Å; K481-Y483 WeakPolarHBondContact O-CD2 3.39Å; K481-Y483 WeakPolarHBondContact O-CE2 3.38Å
482	K	53.3	Low	53.2	Low	103 Å²	103	83.6 Å²	83.6	45%	0.448	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-91.4	130.8	-176.8	-117.2	-178.2	-165.9	-162.8	0	102.1	Y464 W465 S480	Y464-K482 PolarHBondContact O-N 3.14Å; Y464-K482 VanDerWaalsContact O-N 3.13Å; Y464-K482 VanDerWaalsContact O-O 3.1Å; W465-K482 VanDerWaalsContact CA-O 3.22Å; W465-K482 WeakPolarHBondContact CA-O 3.23Å; W465-K482 HydrophobicContact CD2-CB 3.74Å; W465-K482 VanDerWaalsContact CD2-O 3.29Å; W465-K482 HydrophobicContact CE3-CB 3.57Å; W465-K482 HydrophobicContact CH2-CB 3.07Å; W465-K482 HydrophobicContact CH2-CD 3.37Å; W465-K482 HydrophobicContact CH2-CG 3.16Å; W465-K482 HydrophobicContact CZ2-CB 3.4Å; W465-K482 HydrophobicContact CZ2-CD 3.38Å; W465-K482 HydrophobicContact CZ2-CG 3.65Å; W465-K482 HydrophobicContact CZ3-CB 3.19Å; W465-K482 HydrophobicContact CZ3-CD 4.38Å; W465-K482 HydrophobicContact CZ3-CG 3.72Å; S480-K482 PolarHBondContact O-N 2.93Å
483	Y	61.8	Low	54.7	Low	66 Å²	66	85.8 Å²	85.8	26%	0.259	43%	0.431	S	S	.	.			trans	-111	127.8	-178.2	-63.1	-90.8	0	0	0	111.8	N343 W465 S466 G468 K481 F486	N343-Y483 WeakPolarHBondContact CB-O 3.44Å; N343-Y483 PolarHBondContact ND2-O 3.47Å; W465-Y483 VanDerWaalsContact CE3-CA 3.46Å; W465-Y483 VanDerWaalsContact CZ3-C 3.42Å; W465-Y483 WeakPolarHBondContact CZ3-O 3.35Å; S466-Y483 WeakPolarHBondContact O-CD1 3.41Å; S466-Y483 VanDerWaalsContact OG-CE1 3.29Å; S466-Y483 WeakPolarHBondContact OG-CE1 3.49Å; G468-Y483 VanDerWaalsContact CA-CE1 3.42Å; G468-Y483 VanDerWaalsContact N-CD1 3.28Å; K481-Y483 HydrophobicContact CB-CE2 3.93Å; K481-Y483 WeakPolarHBondContact O-CD2 3.39Å; K481-Y483 WeakPolarHBondContact O-CE2 3.38Å; Y483-F486 AromaticContact CD2-CE1 3.92Å; Y483-F486 HydrophobicContact CD2-CE1 3.92Å; Y483-F486 HydrophobicContact CD2-CZ 4.32Å; Y483-F486 HydrophobicContact CG-CD1 4.37Å; Y483-F486 AromaticContact CG-CE1 3.9Å; Y483-F486 HydrophobicContact CG-CE1 3.9Å; Y483-F486 HydrophobicContact CG-CZ 4.27Å
484	L	67.6	Low	56.2	Low	11 Å²	11	84.9 Å²	84.9	6%	0.058	43%	0.425	C	S	.	.	S	Bend	trans	-82.4	-38.1	-179.2	-169.7	70.6	0	0	0	110.4	N343 V346 L347 Y460 W465	N343-L484 PolarHBondContact N-O 3.25Å; V346-L484 HydrophobicContact CB-CD1 4.17Å; V346-L484 HydrophobicContact CG1-CD1 3.51Å; L347-L484 HydrophobicContact CD2-CD1 3.63Å; L347-L484 HydrophobicContact CD2-CD2 4.2Å; L347-L484 HydrophobicContact CD2-CG 3.96Å; L347-L484 HydrophobicContact CG-CD1 3.69Å; L347-L484 HydrophobicContact CG-CG 4.25Å; Y460-L484 HydrophobicContact CD1-CD2 3.53Å; Y460-L484 HydrophobicContact CD2-CD2 3.47Å; Y460-L484 VanDerWaalsContact CD2-CD2 3.47Å; Y460-L484 HydrophobicContact CE1-CD2 3.91Å; Y460-L484 HydrophobicContact CE2-CD2 3.84Å; Y460-L484 HydrophobicContact CG-CD2 3.3Å; W465-L484 HydrophobicContact CE3-CB 4.25Å; W465-L484 VanDerWaalsContact CE3-N 3.33Å
485	F	75.3	Confident	57.6	Low	5 Å²	5	89 Å²	89	2%	0.022	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	144.1	174.5	-58.1	-77.3	0	0	0	110.1	L334 I336 F341 P342 L347 S416 Y460	L334-F485 HydrophobicContact CD1-CE1 4.43Å; L334-F485 HydrophobicContact CD1-CZ 4.03Å; L334-F485 HydrophobicContact CD2-CE1 4.12Å; L334-F485 HydrophobicContact CD2-CZ 4.34Å; I336-F485 HydrophobicContact CG2-CD1 4.45Å; I336-F485 HydrophobicContact CG2-CE1 3.83Å; I336-F485 HydrophobicContact CG2-CZ 4.4Å; F341-F485 CarbonylContact O-C 3.52Å; F341-F485 VanDerWaalsContact O-CA 3.24Å; F341-F485 WeakPolarHBondContact O-CA 3.49Å; P342-F485 HydrophobicContact CB-CD1 4.34Å; P342-F485 HydrophobicContact CB-CE1 4.18Å; L347-F485 HydrophobicContact CD1-CE1 4.22Å; L347-F485 HydrophobicContact CD2-CZ 4.16Å; S416-F485 WeakPolarHBondContact O-CE2 2.98Å; S416-F485 WeakPolarHBondContact O-CZ 3.49Å; Y460-F485 HydrophobicContact CD2-CE2 4.26Å; Y460-F485 AromaticContact CE2-CE2 3.61Å; Y460-F485 HydrophobicContact CE2-CE2 3.61Å; Y460-F485 HydrophobicContact CE2-CZ 4.37Å; Y460-F485 AromaticContact CZ-CE2 3.95Å
486	F	72.4	Confident	59	Low	27 Å²	27	85.9 Å²	85.9	12%	0.118	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136.7	168.8	-53.1	-107.8	0	0	0	109.6	L340 F341 N343 G468 L470 Y483	L340-F486 CarbonylContact C-O 3.26Å; L340-F486 WeakPolarHBondContact CA-O 3Å; F341-F486 HydrophobicContact CB-CB 4.06Å; F341-F486 HydrophobicContact CB-CD2 4.43Å; F341-F486 HydrophobicContact CD1-CB 4.5Å; F341-F486 AromaticContact CD1-CD2 3.54Å; F341-F486 HydrophobicContact CD1-CD2 3.54Å; F341-F486 AromaticContact CD1-CE2 4Å; F341-F486 HydrophobicContact CD1-CE2 4Å; F341-F486 HydrophobicContact CD1-CG 4.31Å; F341-F486 HydrophobicContact CE1-CD2 4.33Å; F341-F486 HydrophobicContact CE1-CE2 4.35Å; F341-F486 HydrophobicContact CG-CD2 4.46Å; F341-F486 PolarHBondContact N-O 3.09Å; F341-F486 PolarHBondContact O-N 3.33Å; N343-F486 HydrophobicContact CB-CE2 4.09Å; G468-F486 WeakPolarHBondContact O-CA 3.5Å; L470-F486 HydrophobicContact CB-CB 4.05Å; L470-F486 HydrophobicContact CD1-CB 3.52Å; L470-F486 HydrophobicContact CD1-CD1 3.93Å; L470-F486 HydrophobicContact CD1-CD2 4.28Å; L470-F486 HydrophobicContact CD1-CG 3.68Å; L470-F486 HydrophobicContact CG-CB 4.39Å; Y483-F486 AromaticContact CD2-CE1 3.92Å; Y483-F486 HydrophobicContact CD2-CE1 3.92Å; Y483-F486 HydrophobicContact CD2-CZ 4.32Å; Y483-F486 HydrophobicContact CG-CD1 4.37Å; Y483-F486 AromaticContact CG-CE1 3.9Å; Y483-F486 HydrophobicContact CG-CE1 3.9Å; Y483-F486 HydrophobicContact CG-CZ 4.27Å
487	Q	71.3	Confident	60	Low	41 Å²	41	78.7 Å²	78.7	19%	0.192	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	163.6	-177.8	-65.9	-175.4	-29.9	0	0	112.7	L340 T415 I467 G468 L470 S489	L340-Q487 HydrophobicContact CD2-CG 3.9Å; T415-Q487 VanDerWaalsContact CB-NE2 3.33Å; I467-Q487 VanDerWaalsContact CG2-CD 3.49Å; I467-Q487 HydrophobicContact CG2-CG 3.74Å; G468-Q487 PolarHBondContact O-N 3.1Å; G468-Q487 VanDerWaalsContact O-N 3.1Å; L470-Q487 PolarHBondContact N-O 3.34Å; Q487-S489 PolarHBondContact O-N 2.5Å
488	K	68.5	Low	61.2	Low	110 Å²	110	77.3 Å²	77.3	48%	0.478	36%	0.364	S	S	.	.			trans	61.3	32.6	176.1	-56.3	178.2	-179.2	176.1	0	112.6	D339 V490 N491	D339-K488 PolarHBondContact O-N 3.44Å; K488-V490 PolarHBondContact O-N 3.09Å; K488-N491 PolarHBondContact O-N 3.08Å
489	S	66	Low	62	Low	2 Å²	2	70.6 Å²	70.6	1%	0.014	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-45.5	-49.7	175.1	66.1	0	0	0	0	111.3	H338 D339 L340 Q487 N491 Q492 W497	H338-S489 PolarHBondContact O-OG 3.44Å; H338-S489 VanDerWaalsContact O-OG 3.04Å; D339-S489 WeakPolarHBondContact CA-OG 3.3Å; D339-S489 WeakPolarHBondContact O-CB 3.48Å; D339-S489 PolarHBondContact O-N 3.12Å; D339-S489 VanDerWaalsContact O-N 3.1Å; D339-S489 PolarHBondContact O-OG 2.94Å; L340-S489 PolarHBondContact N-OG 3.35Å; Q487-S489 PolarHBondContact O-N 2.5Å; S489-N491 PolarHBondContact O-N 3.2Å; S489-Q492 WeakPolarHBondContact O-CB 3.48Å; S489-Q492 PolarHBondContact O-N 3.24Å; S489-W497 VanDerWaalsContact CA-CH2 3.45Å; S489-W497 WeakPolarHBondContact O-CZ2 3.46Å; S489-W497 PolarHBondContact O-NE1 3.31Å
490	V	65.7	Low	62.9	Low	34 Å²	34	63 Å²	63	21%	0.206	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-56.5	-28.1	-174.4	-75.4	0	0	0	0	115.2	T235 K238 D339 K488 Q492	T235-V490 HydrophobicContact CG2-CG1 3.49Å; T235-V490 VanDerWaalsContact CG2-CG1 3.49Å; K238-V490 PolarHBondContact NZ-O 2.89Å; D339-V490 HydrophobicContact CB-CG2 4.21Å; K488-V490 PolarHBondContact O-N 3.09Å; V490-Q492 VanDerWaalsContact C-N 3.29Å; V490-Q492 PolarHBondContact O-N 3.33Å
491	N	68.2	Low	63.7	Low	125 Å²	125	60.3 Å²	60.3	67%	0.668	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-83.5	-7.7	-176.8	-64.6	-17.1	0	0	0	112.7	K488 S489	K488-N491 PolarHBondContact O-N 3.08Å; S489-N491 PolarHBondContact O-N 3.2Å
492	Q	64.2	Low	64.3	Low	28 Å²	28	62.6 Å²	62.6	13%	0.131	30%	0.296	C	S	.	.	S	Bend	trans	-91.2	142.9	-173.4	-59.3	-67.5	-18.3	0	0	111.4	L470 S489 V490 V496 W497	L470-Q492 HydrophobicContact CB-CG 4.38Å; L470-Q492 HydrophobicContact CD2-CB 4.06Å; L470-Q492 HydrophobicContact CD2-CG 3.58Å; L470-Q492 PolarHBondContact O-NE2 2.94Å; S489-Q492 WeakPolarHBondContact O-CB 3.48Å; S489-Q492 PolarHBondContact O-N 3.24Å; V490-Q492 VanDerWaalsContact C-N 3.29Å; V490-Q492 PolarHBondContact O-N 3.33Å; Q492-V496 HydrophobicContact CB-CG1 4.47Å; Q492-W497 PolarHBondContact O-NE1 3.46Å
493	N	64.7	Low	64.3	Low	99 Å²	99	59.2 Å²	59.2	53%	0.529	29%	0.287	S	S	.	.			trans	-70.7	146.8	176.8	-171.6	-24.1	0	0	0	110.1	R495 V496 W497	N493-R495 PolarHBondContact O-N 3.29Å; N493-R495 VanDerWaalsContact O-N 3.1Å; N493-R495 PolarHBondContact OD1-N 3.37Å; N493-V496 HydrophobicContact CB-CG2 4.4Å; N493-V496 WeakPolarHBondContact O-CB 3.35Å; N493-V496 PolarHBondContact O-N 2.93Å; N493-W497 PolarHBondContact O-N 3.19Å
494	S	62.7	Low	63.9	Low	54 Å²	54	56.5 Å²	56.5	38%	0.378	28%	0.277	S	S	.	.	H	α-helix	trans	-53.5	-28.9	176.9	63.7	0	0	0	0	113.6	W497 K498	S494-W497 WeakPolarHBondContact O-CB 3.02Å; S494-W497 PolarHBondContact O-N 3.3Å; S494-K498 WeakPolarHBondContact O-CG 3.39Å; S494-K498 PolarHBondContact O-N 2.84Å
495	R	64.7	Low	63.1	Low	180 Å²	180	58.2 Å²	58.2	68%	0.679	29%	0.286	S	S	*	.	H	α-helix	trans	-67.4	-46.2	173.1	-68.9	-173.9	-177.3	174	0.2	112.7	N493 W497 K498 S499	N493-R495 PolarHBondContact O-N 3.29Å; N493-R495 VanDerWaalsContact O-N 3.1Å; N493-R495 PolarHBondContact OD1-N 3.37Å; R495-W497 PolarHBondContact O-N 3.22Å; R495-K498 PolarHBondContact O-N 3.46Å; R495-S499 WeakPolarHBondContact O-CB 3.35Å; R495-S499 PolarHBondContact O-N 3.36Å
496	V	62.1	Low	61.6	Low	30 Å²	30	62.9 Å²	62.9	18%	0.182	32%	0.319	C	S	.	.	H	α-helix	trans	-58	-42	174.5	178.3	0	0	0	0	109	L470 P472 Q492 N493 S499 V500	L470-V496 HydrophobicContact CD2-CG1 3.95Å; P472-V496 HydrophobicContact CB-CG1 4.18Å; P472-V496 HydrophobicContact CB-CG2 3.93Å; Q492-V496 HydrophobicContact CB-CG1 4.47Å; N493-V496 HydrophobicContact CB-CG2 4.4Å; N493-V496 WeakPolarHBondContact O-CB 3.35Å; N493-V496 PolarHBondContact O-N 2.93Å; V496-S499 PolarHBondContact O-N 3.15Å; V496-V500 HydrophobicContact CG1-CG2 4.22Å; V496-V500 WeakPolarHBondContact O-CG2 2.99Å; V496-V500 PolarHBondContact O-N 3.32Å
497	W	61.1	Low	60	Low	5 Å²	5	66.8 Å²	66.8	2%	0.019	35%	0.35	C	S	.	.	H	α-helix	trans	-60	-53.2	176.4	-75.5	119.9	0	0	0	114.3	T242 F341 L470 S489 Q492 N493 S494 R495 S499 V500 F501	T242-W497 HydrophobicContact CG2-CB 3.27Å; T242-W497 HydrophobicContact CG2-CD2 4.17Å; T242-W497 HydrophobicContact CG2-CG 3.55Å; F341-W497 HydrophobicContact CB-CH2 3.75Å; F341-W497 HydrophobicContact CB-CZ3 3.81Å; F341-W497 HydrophobicContact CD1-CZ3 4.12Å; F341-W497 AromaticContact CD2-CE3 3.81Å; F341-W497 HydrophobicContact CD2-CE3 3.81Å; F341-W497 AromaticContact CD2-CH2 3.48Å; F341-W497 HydrophobicContact CD2-CH2 3.48Å; F341-W497 VanDerWaalsContact CD2-CH2 3.48Å; F341-W497 AromaticContact CD2-CZ3 2.98Å; F341-W497 HydrophobicContact CD2-CZ3 2.98Å; F341-W497 HydrophobicContact CE1-CZ3 4.46Å; F341-W497 AromaticContact CE2-CE3 3.69Å; F341-W497 HydrophobicContact CE2-CE3 3.69Å; F341-W497 HydrophobicContact CE2-CH2 4.22Å; F341-W497 AromaticContact CE2-CZ3 3.33Å; F341-W497 HydrophobicContact CE2-CZ3 3.33Å; F341-W497 HydrophobicContact CG-CE3 4.48Å; F341-W497 AromaticContact CG-CH2 3.84Å; F341-W497 HydrophobicContact CG-CH2 3.84Å; F341-W497 AromaticContact CG-CZ3 3.4Å; F341-W497 HydrophobicContact CG-CZ3 3.4Å; F341-W497 HydrophobicContact CZ-CE3 4.38Å; F341-W497 HydrophobicContact CZ-CZ3 4.1Å; L470-W497 HydrophobicContact CD1-CZ3 4.03Å; L470-W497 HydrophobicContact CD2-CE3 4.31Å; L470-W497 HydrophobicContact CD2-CZ3 4.07Å; S489-W497 VanDerWaalsContact CA-CH2 3.45Å; S489-W497 WeakPolarHBondContact O-CZ2 3.46Å; S489-W497 PolarHBondContact O-NE1 3.31Å; Q492-W497 PolarHBondContact O-NE1 3.46Å; N493-W497 PolarHBondContact O-N 3.19Å; S494-W497 WeakPolarHBondContact O-CB 3.02Å; S494-W497 PolarHBondContact O-N 3.3Å; R495-W497 PolarHBondContact O-N 3.22Å; W497-S499 PolarHBondContact O-N 3.01Å; W497-V500 PolarHBondContact O-N 2.84Å; W497-F501 WeakPolarHBondContact O-CB 3.14Å; W497-F501 PolarHBondContact O-N 2.82Å
498	K	62.4	Low	59.4	Low	103 Å²	103	68.1 Å²	68.1	45%	0.448	36%	0.358	S	S	.	.	H	α-helix	trans	-59.3	-37.8	178.3	-73.8	179.9	-179.7	-171.7	0	110.8	S494 R495 R502	S494-K498 WeakPolarHBondContact O-CG 3.39Å; S494-K498 PolarHBondContact O-N 2.84Å; R495-K498 PolarHBondContact O-N 3.46Å; K498-R502 VanDerWaalsContact O-CB 3.26Å; K498-R502 WeakPolarHBondContact O-CB 3.17Å; K498-R502 WeakPolarHBondContact O-CG 3.11Å; K498-R502 PolarHBondContact O-N 3.47Å
499	S	59.8	Low	58.9	Low	63 Å²	63	65.8 Å²	65.8	44%	0.441	35%	0.352	S	S	.	.	H	α-helix	trans	-67.2	-51.6	177.4	-169	0	0	0	0	112.6	R495 V496 W497 F501 R502 A503	R495-S499 WeakPolarHBondContact O-CB 3.35Å; R495-S499 PolarHBondContact O-N 3.36Å; V496-S499 PolarHBondContact O-N 3.15Å; W497-S499 PolarHBondContact O-N 3.01Å; S499-F501 VanDerWaalsContact C-N 3.29Å; S499-F501 PolarHBondContact O-N 2.78Å; S499-R502 PolarHBondContact O-N 2.88Å; S499-A503 VanDerWaalsContact O-CB 3.32Å; S499-A503 WeakPolarHBondContact O-CB 3.31Å; S499-A503 PolarHBondContact O-N 3.39Å
500	V	59.2	Low	58.5	Low	30 Å²	30	69.4 Å²	69.4	18%	0.182	37%	0.37	C	S	.	.	H	α-helix	trans	-61.6	-43.1	178.1	173.4	0	0	0	0	109.9	F341 L470 V496 W497 A503 T504	F341-V500 HydrophobicContact CE1-CG1 4.18Å; L470-V500 HydrophobicContact CD1-CG1 4.06Å; L470-V500 HydrophobicContact CD2-CG2 4.21Å; L470-V500 HydrophobicContact CG-CG2 4.4Å; V496-V500 HydrophobicContact CG1-CG2 4.22Å; V496-V500 WeakPolarHBondContact O-CG2 2.99Å; V496-V500 PolarHBondContact O-N 3.32Å; W497-V500 PolarHBondContact O-N 2.84Å; V500-A503 PolarHBondContact O-N 3.01Å; V500-T504 HydrophobicContact CG1-CG2 4.31Å; V500-T504 WeakPolarHBondContact O-CG2 3.39Å; V500-T504 PolarHBondContact O-N 3.4Å; V500-T504 PolarHBondContact O-OG1 3.04Å
501	F	59.6	Low	58.1	Low	18 Å²	18	71.5 Å²	71.5	8%	0.079	38%	0.38	C	S	.	.	H	α-helix	trans	-62.7	-47.2	179.5	-174.5	-109.9	0	0	0	112.3	W243 V246 I249 F341 L344 W497 S499 A503 T504 L505	W243-F501 HydrophobicContact CB-CD2 4.42Å; W243-F501 HydrophobicContact CB-CE2 4.46Å; V246-F501 HydrophobicContact CB-CZ 4.46Å; V246-F501 HydrophobicContact CG1-CZ 4.4Å; V246-F501 HydrophobicContact CG2-CE1 4.11Å; V246-F501 HydrophobicContact CG2-CE2 3.62Å; V246-F501 HydrophobicContact CG2-CZ 3.19Å; I249-F501 HydrophobicContact CD1-CE1 3.44Å; I249-F501 VanDerWaalsContact CD1-CE1 3.44Å; I249-F501 HydrophobicContact CD1-CZ 3.64Å; F341-F501 HydrophobicContact CZ-CD2 4.17Å; L344-F501 HydrophobicContact CD1-CE2 4.28Å; W497-F501 WeakPolarHBondContact O-CB 3.14Å; W497-F501 PolarHBondContact O-N 2.82Å; S499-F501 VanDerWaalsContact C-N 3.29Å; S499-F501 PolarHBondContact O-N 2.78Å; F501-A503 VanDerWaalsContact C-N 3.33Å; F501-A503 PolarHBondContact O-N 3.13Å; F501-T504 VanDerWaalsContact CA-OG1 3.27Å; F501-T504 WeakPolarHBondContact CA-OG1 3.39Å; F501-T504 PolarHBondContact O-N 2.93Å; F501-T504 PolarHBondContact O-OG1 3.34Å; F501-L505 HydrophobicContact CD1-CD1 3.77Å; F501-L505 HydrophobicContact CD1-CG 4.47Å; F501-L505 HydrophobicContact CE1-CD1 3.18Å; F501-L505 HydrophobicContact CE1-CG 4.02Å; F501-L505 HydrophobicContact CE2-CD1 4.18Å; F501-L505 HydrophobicContact CE2-CD2 4.35Å; F501-L505 HydrophobicContact CE2-CG 4.13Å; F501-L505 HydrophobicContact CG-CD1 4.47Å; F501-L505 HydrophobicContact CZ-CD1 3.37Å; F501-L505 HydrophobicContact CZ-CD2 4.01Å; F501-L505 HydrophobicContact CZ-CG 3.78Å; F501-L505 WeakPolarHBondContact O-CB 3.41Å; F501-L505 WeakPolarHBondContact O-CG 3.35Å; F501-L505 PolarHBondContact O-N 3.15Å
502	R	59.1	Low	57.5	Low	181 Å²	181	68.1 Å²	68.1	68%	0.683	36%	0.362	S	S	*	.	H	α-helix	trans	-60.4	-41.5	173.1	-76.4	173.9	179.4	-173.2	-2.3	112.1	K498 S499 L505 S506	K498-R502 VanDerWaalsContact O-CB 3.26Å; K498-R502 WeakPolarHBondContact O-CB 3.17Å; K498-R502 WeakPolarHBondContact O-CG 3.11Å; K498-R502 PolarHBondContact O-N 3.47Å; S499-R502 PolarHBondContact O-N 2.88Å; R502-L505 PolarHBondContact O-N 2.89Å; R502-S506 WeakPolarHBondContact O-CB 3.2Å; R502-S506 PolarHBondContact O-N 3.1Å; R502-S506 PolarHBondContact O-OG 3.37Å
503	A	53.9	Low	57	Low	32 Å²	32	70.8 Å²	70.8	26%	0.264	38%	0.377	S	S	.	.	H	α-helix	trans	-65.3	-40.7	176.6	0	0	0	0	0	111.8	F476 S499 V500 F501 S506 S507	F476-A503 HydrophobicContact CE2-CB 4.2Å; S499-A503 VanDerWaalsContact O-CB 3.32Å; S499-A503 WeakPolarHBondContact O-CB 3.31Å; S499-A503 PolarHBondContact O-N 3.39Å; V500-A503 PolarHBondContact O-N 3.01Å; F501-A503 VanDerWaalsContact C-N 3.33Å; F501-A503 PolarHBondContact O-N 3.13Å; A503-S506 WeakPolarHBondContact CA-OG 3.27Å; A503-S506 PolarHBondContact O-N 2.97Å; A503-S506 PolarHBondContact O-OG 2.85Å; A503-S507 PolarHBondContact O-N 2.7Å; A503-S507 PolarHBondContact O-OG 3.42Å
504	T	53.4	Low	56.5	Low	8 Å²	8	68.8 Å²	68.8	5%	0.049	37%	0.366	C	S	.	.	H	α-helix	trans	-69.9	-31.5	176.5	45.5	0	0	0	0	113	N345 V500 F501 S507	N345-T504 PolarHBondContact ND2-O 3.24Å; V500-T504 HydrophobicContact CG1-CG2 4.31Å; V500-T504 WeakPolarHBondContact O-CG2 3.39Å; V500-T504 PolarHBondContact O-N 3.4Å; V500-T504 PolarHBondContact O-OG1 3.04Å; F501-T504 VanDerWaalsContact CA-OG1 3.27Å; F501-T504 WeakPolarHBondContact CA-OG1 3.39Å; F501-T504 PolarHBondContact O-N 2.93Å; F501-T504 PolarHBondContact O-OG1 3.34Å; T504-S507 PolarHBondContact O-OG 2.99Å
505	L	50.9	Low	56	Low	48 Å²	48	69.9 Å²	69.9	25%	0.251	37%	0.366	S	S	.	.	H	α-helix	trans	-76	-30.6	176.3	-75.4	175.6	0	0	0	113.2	I249 F501 R502	I249-L505 HydrophobicContact CD1-CD1 3.91Å; I249-L505 HydrophobicContact CG2-CD1 3.78Å; I249-L505 HydrophobicContact CG2-CD2 3.96Å; F501-L505 HydrophobicContact CD1-CD1 3.77Å; F501-L505 HydrophobicContact CD1-CG 4.47Å; F501-L505 HydrophobicContact CE1-CD1 3.18Å; F501-L505 HydrophobicContact CE1-CG 4.02Å; F501-L505 HydrophobicContact CE2-CD1 4.18Å; F501-L505 HydrophobicContact CE2-CD2 4.35Å; F501-L505 HydrophobicContact CE2-CG 4.13Å; F501-L505 HydrophobicContact CG-CD1 4.47Å; F501-L505 HydrophobicContact CZ-CD1 3.37Å; F501-L505 HydrophobicContact CZ-CD2 4.01Å; F501-L505 HydrophobicContact CZ-CG 3.78Å; F501-L505 WeakPolarHBondContact O-CB 3.41Å; F501-L505 WeakPolarHBondContact O-CG 3.35Å; F501-L505 PolarHBondContact O-N 3.15Å; R502-L505 PolarHBondContact O-N 2.89Å
506	S	43.5	Very low	55.3	Low	102 Å²	102	60.8 Å²	60.8	71%	0.713	34%	0.339	S	S	*	.	H	α-helix	trans	-83.8	-10	179.4	48.7	0	0	0	0	113.8	R502 A503	R502-S506 WeakPolarHBondContact O-CB 3.2Å; R502-S506 PolarHBondContact O-N 3.1Å; R502-S506 PolarHBondContact O-OG 3.37Å; A503-S506 WeakPolarHBondContact CA-OG 3.27Å; A503-S506 PolarHBondContact O-N 2.97Å; A503-S506 PolarHBondContact O-OG 2.85Å
507	S	38.8	Very low	54.7	Low	109 Å²	109	63.5 Å²	63.5	76%	0.762	35%	0.354	S	S	*	.			trans	-98	0	172.4	69.9	0	0	0	0	112.1	N345 A503 T504	N345-S507 PolarHBondContact ND2-OXT 3.38Å; A503-S507 PolarHBondContact O-N 2.7Å; A503-S507 PolarHBondContact O-OG 3.42Å; T504-S507 PolarHBondContact O-OG 2.99Å

Retrieved 507 of 507 residues in 191 ms (Link to these results)

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