A0A5K4F8N2_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8N2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 346 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	32	Very low	27	Very low	253 Å²	253	152.3 Å²	152.3	100%	1.246	84%	0.838	S	S	*	*				0	112.6	0	-76.4	171.5	156.5	0	0	107.1
2	G	26.7	Very low	27.2	Very low	74 Å²	74	155.7 Å²	155.7	76%	0.763	84%	0.838	S	S	*	*			trans	-166.4	94.1	-170.9	0	0	0	0	0	113.6
3	N	25.6	Very low	27.4	Very low	168 Å²	168	148.7 Å²	148.7	90%	0.898	81%	0.808	S	S	*	*			trans	27.5	100.9	153	-61.8	-6.9	0	0	0	119.7
4	C	26.6	Very low	27.7	Very low	133 Å²	133	145.5 Å²	145.5	90%	0.899	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-76.5	122.9	156.3	-58.8	0	0	0	0	109.8	N6	C4-N6 PolarHBondContact O-N 2.98Å
5	L	27.9	Very low	27.9	Very low	168 Å²	168	147.6 Å²	147.6	88%	0.88	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-59.8	122.4	172.2	-96.5	137.8	0	0	0	110.9	I7	L5-I7 PolarHBondContact O-N 3.45Å
6	N	23.4	Very low	28	Very low	158 Å²	158	150.8 Å²	150.8	85%	0.845	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-61.2	118.6	171.2	-109.6	-19.9	0	0	0	110.3	C4 S8	C4-N6 PolarHBondContact O-N 2.98Å; N6-S8 PolarHBondContact O-N 3.49Å
7	I	24.3	Very low	28.2	Very low	160 Å²	160	149.1 Å²	149.1	82%	0.821	78%	0.775	S	S	*	*			trans	-82.1	96.3	168.7	-63.3	167.1	0	0	0	107	L5	L5-I7 PolarHBondContact O-N 3.45Å
8	S	25.8	Very low	28.7	Very low	88 Å²	88	145.8 Å²	145.8	62%	0.615	76%	0.759	S	S	*	*			trans	-80.8	131	170.6	56.2	0	0	0	0	110.9	N6 H10	N6-S8 PolarHBondContact O-N 3.49Å; S8-H10 PolarHBondContact O-N 3.36Å
9	N	24.5	Very low	29.1	Very low	152 Å²	152	143.4 Å²	143.4	81%	0.813	75%	0.747	S	S	*	*			trans	-60	88.7	-174.7	-76.4	-48.7	0	0	0	114.4	K11	N9-K11 VanDerWaalsContact C-N 3.32Å; N9-K11 PolarHBondContact O-N 2.86Å
10	H	28.6	Very low	29.5	Very low	142 Å²	142	145 Å²	145	66%	0.657	75%	0.748	S	S	*	*			trans	-87.4	26.2	171.8	-93.2	-68.9	0	0	0	115	S8 K12	S8-H10 PolarHBondContact O-N 3.36Å; H10-K12 PolarHBondContact O-N 3.31Å
11	K	31.1	Very low	29.8	Very low	179 Å²	179	142.7 Å²	142.7	78%	0.778	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-13.1	-177.1	-81.9	-176.1	177.5	177.1	0	115.5	N9	N9-K11 VanDerWaalsContact C-N 3.32Å; N9-K11 PolarHBondContact O-N 2.86Å
12	K	29.6	Very low	30.1	Very low	193 Å²	193	135 Å²	135	84%	0.839	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-26.8	-174.6	-83.1	-178.1	175.4	179.1	0	115.9	H10	H10-K12 PolarHBondContact O-N 3.31Å
13	S	30	Very low	30.8	Very low	65 Å²	65	136.8 Å²	136.8	46%	0.455	69%	0.687	S	S	.	*	H	α-helix	trans	-79.2	-29.9	-177.9	71.2	0	0	0	0	113.9	Y15 Y16	S13-Y15 VanDerWaalsContact C-N 3.27Å; S13-Y15 PolarHBondContact O-N 3.36Å; S13-Y16 PolarHBondContact O-N 2.88Å
14	N	32.2	Very low	31.3	Very low	104 Å²	104	131.1 Å²	131.1	56%	0.556	66%	0.661	S	S	*	*	H	α-helix	trans	-69.4	-21.3	-179.7	-78.2	-20.3	0	0	0	114.2	N18	N14-N18 PolarHBondContact O-N 3.18Å
15	Y	30.1	Very low	31.9	Very low	177 Å²	177	128.6 Å²	128.6	69%	0.694	64%	0.638	S	S	*	*	H	α-helix	trans	-73.2	-35.9	178.9	-106.7	-87.4	0	0	0	112.7	S13 N19	S13-Y15 VanDerWaalsContact C-N 3.27Å; S13-Y15 PolarHBondContact O-N 3.36Å; Y15-N19 PolarHBondContact O-N 3.36Å
16	Y	30.1	Very low	32.4	Very low	198 Å²	198	123.5 Å²	123.5	78%	0.776	61%	0.613	S	S	*	*	H	α-helix	trans	-74.1	-37.2	179.3	-101	-90.1	0	0	0	112.7	S13 N19 K20	S13-Y16 PolarHBondContact O-N 2.88Å; Y16-N19 PolarHBondContact O-N 2.72Å; Y16-K20 PolarHBondContact O-N 2.97Å
17	L	31.5	Very low	33	Very low	122 Å²	122	119.5 Å²	119.5	64%	0.639	60%	0.595	S	S	*	*	H	α-helix	trans	-63.3	-42.3	176.1	-92.8	145.3	0	0	0	112.1	F21	L17-F21 WeakPolarHBondContact O-CB 3.25Å; L17-F21 PolarHBondContact O-N 3.19Å
18	N	36.5	Very low	33.6	Very low	91 Å²	91	115.2 Å²	115.2	49%	0.487	57%	0.574	S	S	.	*	H	α-helix	trans	-64.3	-41.8	177.8	-94.9	-14.8	0	0	0	112.6	N14 K20 I22	N14-N18 PolarHBondContact O-N 3.18Å; N18-K20 PolarHBondContact O-N 3.46Å; N18-I22 VanDerWaalsContact O-CB 3.29Å; N18-I22 WeakPolarHBondContact O-CB 3.34Å; N18-I22 WeakPolarHBondContact O-CD1 3.47Å; N18-I22 WeakPolarHBondContact O-CG1 3.44Å; N18-I22 PolarHBondContact O-N 3.39Å
19	N	36.2	Very low	34	Very low	99 Å²	99	115.5 Å²	115.5	53%	0.529	57%	0.568	S	S	.	*	H	α-helix	trans	-68.7	-36.4	-178.7	-82.5	-7	0	0	0	113.2	Y15 Y16 N23	Y15-N19 PolarHBondContact O-N 3.36Å; Y16-N19 PolarHBondContact O-N 2.72Å; N19-N23 WeakPolarHBondContact O-CB 3.48Å; N19-N23 PolarHBondContact O-N 3.06Å
20	K	36.9	Very low	34.5	Very low	175 Å²	175	115.8 Å²	115.8	76%	0.761	56%	0.562	S	S	*	*	H	α-helix	trans	-71.7	-38.3	178.9	-149.5	176.5	-174.6	-177.5	0	111.6	Y16 N18 C24	Y16-K20 PolarHBondContact O-N 2.97Å; N18-K20 PolarHBondContact O-N 3.46Å; K20-C24 WeakPolarHBondContact O-CB 3.33Å; K20-C24 PolarHBondContact O-N 3.47Å; K20-C24 VanDerWaalsContact O-N 3.09Å
21	F	37.2	Very low	34.6	Very low	97 Å²	97	114.5 Å²	114.5	43%	0.425	56%	0.559	S	S	.	*	H	α-helix	trans	-68	-44.1	175.2	-168.5	-95.5	0	0	0	112	L17 N23 C24 L25	L17-F21 WeakPolarHBondContact O-CB 3.25Å; L17-F21 PolarHBondContact O-N 3.19Å; F21-N23 PolarHBondContact O-N 2.87Å; F21-C24 PolarHBondContact O-N 2.98Å; F21-L25 HydrophobicContact CE1-CD1 3.99Å; F21-L25 HydrophobicContact CZ-CD1 4.28Å; F21-L25 WeakPolarHBondContact O-CB 3.43Å; F21-L25 PolarHBondContact O-N 3.12Å
22	I	38.3	Very low	34.7	Very low	91 Å²	91	111.3 Å²	111.3	47%	0.467	55%	0.55	S	S	.	.	H	α-helix	trans	-61.5	-44.9	175.9	-70.9	166.9	0	0	0	110.4	N18 C24 L25 T26	N18-I22 VanDerWaalsContact O-CB 3.29Å; N18-I22 WeakPolarHBondContact O-CB 3.34Å; N18-I22 WeakPolarHBondContact O-CD1 3.47Å; N18-I22 WeakPolarHBondContact O-CG1 3.44Å; N18-I22 PolarHBondContact O-N 3.39Å; I22-C24 PolarHBondContact O-N 3.07Å; I22-L25 PolarHBondContact O-N 3.05Å; I22-T26 PolarHBondContact O-N 2.88Å; I22-T26 PolarHBondContact O-OG1 3.34Å
23	N	39.5	Very low	34.7	Very low	112 Å²	112	109 Å²	109	60%	0.599	54%	0.542	S	S	*	.	H	α-helix	trans	-59.3	-46.8	177.2	-92	-4.6	0	0	0	112.1	N19 F21 L25 T26 T27	N19-N23 WeakPolarHBondContact O-CB 3.48Å; N19-N23 PolarHBondContact O-N 3.06Å; F21-N23 PolarHBondContact O-N 2.87Å; N23-L25 VanDerWaalsContact C-N 3.34Å; N23-L25 PolarHBondContact O-N 2.78Å; N23-T26 WeakPolarHBondContact CA-OG1 3.45Å; N23-T26 PolarHBondContact O-N 2.89Å; N23-T26 PolarHBondContact O-OG1 3.35Å; N23-T27 PolarHBondContact O-N 2.75Å; N23-T27 PolarHBondContact O-OG1 2.86Å
24	C	38.1	Very low	34.7	Very low	50 Å²	50	114 Å²	114	34%	0.338	56%	0.556	S	S	.	*	H	α-helix	trans	-62.1	-40	178.3	-166.9	0	0	0	0	112.1	K20 F21 I22 T27 N28	K20-C24 WeakPolarHBondContact O-CB 3.33Å; K20-C24 PolarHBondContact O-N 3.47Å; K20-C24 VanDerWaalsContact O-N 3.09Å; F21-C24 PolarHBondContact O-N 2.98Å; I22-C24 PolarHBondContact O-N 3.07Å; C24-T27 WeakPolarHBondContact CA-OG1 3.3Å; C24-T27 PolarHBondContact O-OG1 3.31Å; C24-N28 WeakPolarHBondContact O-CB 3.47Å; C24-N28 VanDerWaalsContact O-CG 3.25Å; C24-N28 PolarHBondContact O-N 2.84Å; C24-N28 VanDerWaalsContact O-N 3.12Å; C24-N28 PolarHBondContact O-ND2 2.95Å
25	L	38.8	Very low	34.7	Very low	80 Å²	80	111.3 Å²	111.3	42%	0.419	54%	0.543	S	S	.	.	H	α-helix	trans	-65.5	-42.9	175.6	-144.3	97.6	0	0	0	111.6	F21 I22 N23 L29	F21-L25 HydrophobicContact CE1-CD1 3.99Å; F21-L25 HydrophobicContact CZ-CD1 4.28Å; F21-L25 WeakPolarHBondContact O-CB 3.43Å; F21-L25 PolarHBondContact O-N 3.12Å; I22-L25 PolarHBondContact O-N 3.05Å; N23-L25 VanDerWaalsContact C-N 3.34Å; N23-L25 PolarHBondContact O-N 2.78Å; L25-L29 HydrophobicContact CD2-CD1 4.13Å; L25-L29 HydrophobicContact CG-CD1 4.44Å; L25-L29 WeakPolarHBondContact O-CB 3.33Å; L25-L29 WeakPolarHBondContact O-CD1 3.36Å; L25-L29 VanDerWaalsContact O-CG 3.26Å; L25-L29 WeakPolarHBondContact O-CG 3.31Å; L25-L29 PolarHBondContact O-N 2.76Å
26	T	37.4	Very low	34.8	Very low	60 Å²	60	110.8 Å²	110.8	37%	0.368	55%	0.546	S	S	.	.	H	α-helix	trans	-69.7	-33.7	178.2	36.6	0	0	0	0	113.9	I22 N23 K30	I22-T26 PolarHBondContact O-N 2.88Å; I22-T26 PolarHBondContact O-OG1 3.34Å; N23-T26 WeakPolarHBondContact CA-OG1 3.45Å; N23-T26 PolarHBondContact O-N 2.89Å; N23-T26 PolarHBondContact O-OG1 3.35Å; T26-K30 WeakPolarHBondContact O-CB 3.49Å; T26-K30 WeakPolarHBondContact O-CG 3.45Å; T26-K30 PolarHBondContact O-N 3.04Å
27	T	37.3	Very low	34.9	Very low	75 Å²	75	109.2 Å²	109.2	46%	0.46	55%	0.546	S	S	.	.	H	α-helix	trans	-68.6	-41.9	174.5	40.3	0	0	0	0	111.3	N23 C24 K30 L31	N23-T27 PolarHBondContact O-N 2.75Å; N23-T27 PolarHBondContact O-OG1 2.86Å; C24-T27 WeakPolarHBondContact CA-OG1 3.3Å; C24-T27 PolarHBondContact O-OG1 3.31Å; T27-K30 PolarHBondContact O-N 3.39Å; T27-L31 PolarHBondContact O-N 2.81Å
28	N	36.3	Very low	34.8	Very low	69 Å²	69	111.5 Å²	111.5	37%	0.369	55%	0.553	S	S	.	*	H	α-helix	trans	-70.1	-36.5	180	-67.3	-6.5	0	0	0	111.6	C24 L31 L32	C24-N28 WeakPolarHBondContact O-CB 3.47Å; C24-N28 VanDerWaalsContact O-CG 3.25Å; C24-N28 PolarHBondContact O-N 2.84Å; C24-N28 VanDerWaalsContact O-N 3.12Å; C24-N28 PolarHBondContact O-ND2 2.95Å; N28-L31 PolarHBondContact O-N 2.94Å; N28-L32 PolarHBondContact O-N 2.83Å; N28-L32 VanDerWaalsContact O-N 3.08Å
29	L	33.8	Very low	34.6	Very low	94 Å²	94	111.1 Å²	111.1	49%	0.492	55%	0.55	S	S	.	.	H	α-helix	trans	-67	-36.7	172.4	-75	167.8	0	0	0	112.8	L25 H33	L25-L29 HydrophobicContact CD2-CD1 4.13Å; L25-L29 HydrophobicContact CG-CD1 4.44Å; L25-L29 WeakPolarHBondContact O-CB 3.33Å; L25-L29 WeakPolarHBondContact O-CD1 3.36Å; L25-L29 VanDerWaalsContact O-CG 3.26Å; L25-L29 WeakPolarHBondContact O-CG 3.31Å; L25-L29 PolarHBondContact O-N 2.76Å; L29-H33 PolarHBondContact O-N 3.03Å; L29-H33 VanDerWaalsContact O-N 3.12Å
30	K	34	Very low	34.3	Very low	158 Å²	158	114.5 Å²	114.5	69%	0.687	56%	0.562	S	S	*	*	H	α-helix	trans	-70.2	-33.3	175	-80.3	179.1	178.6	178.9	0	112.8	T26 T27 K34	T26-K30 WeakPolarHBondContact O-CB 3.49Å; T26-K30 WeakPolarHBondContact O-CG 3.45Å; T26-K30 PolarHBondContact O-N 3.04Å; T27-K30 PolarHBondContact O-N 3.39Å; K30-K34 PolarHBondContact O-N 2.82Å
31	L	32.6	Very low	34	Very low	116 Å²	116	113 Å²	113	61%	0.607	56%	0.563	S	S	*	*	H	α-helix	trans	-66.7	-45.4	174	-119.7	101.5	0	0	0	111.2	T27 N28 H33 K34 T35	T27-L31 PolarHBondContact O-N 2.81Å; N28-L31 PolarHBondContact O-N 2.94Å; L31-H33 VanDerWaalsContact C-N 3.28Å; L31-H33 PolarHBondContact O-N 3.31Å; L31-K34 PolarHBondContact O-N 3.12Å; L31-K34 VanDerWaalsContact O-N 3.16Å; L31-T35 PolarHBondContact O-N 2.69Å; L31-T35 PolarHBondContact O-OG1 3.2Å
32	L	31.6	Very low	33.8	Very low	111 Å²	111	113.9 Å²	113.9	58%	0.581	57%	0.572	S	S	*	*	H	α-helix	trans	-58.7	-36.7	175.1	-98.2	151.1	0	0	0	113.2	N28 T35 H36	N28-L32 PolarHBondContact O-N 2.83Å; N28-L32 VanDerWaalsContact O-N 3.08Å; L32-T35 PolarHBondContact O-OG1 3.5Å; L32-T35 VanDerWaalsContact O-OG1 3.08Å; L32-H36 PolarHBondContact O-N 3.1Å
33	H	29.6	Very low	33.6	Very low	145 Å²	145	115.8 Å²	115.8	67%	0.671	58%	0.581	S	S	*	*	H	α-helix	trans	-75	-24.2	179.5	-148.4	-58.4	0	0	0	113.3	L29 L31	L29-H33 PolarHBondContact O-N 3.03Å; L29-H33 VanDerWaalsContact O-N 3.12Å; L31-H33 VanDerWaalsContact C-N 3.28Å; L31-H33 PolarHBondContact O-N 3.31Å
34	K	31.6	Very low	33.3	Very low	171 Å²	171	116.7 Å²	116.7	74%	0.743	59%	0.586	S	S	*	*	H	α-helix	trans	-79	-33.6	173.9	-87.5	-175.1	173.2	-175.5	0	112.5	K30 L31	K30-K34 PolarHBondContact O-N 2.82Å; L31-K34 PolarHBondContact O-N 3.12Å; L31-K34 VanDerWaalsContact O-N 3.16Å
35	T	30.9	Very low	33.1	Very low	46 Å²	46	117.1 Å²	117.1	28%	0.282	59%	0.593	S	S	.	*	H	α-helix	trans	-77.6	-23	-178.1	52.9	0	0	0	0	113.1	L31 L32 H37 H38 M49	L31-T35 PolarHBondContact O-N 2.69Å; L31-T35 PolarHBondContact O-OG1 3.2Å; L32-T35 PolarHBondContact O-OG1 3.5Å; L32-T35 VanDerWaalsContact O-OG1 3.08Å; T35-H37 PolarHBondContact O-N 2.95Å; T35-H38 PolarHBondContact O-N 3.43Å; T35-M49 HydrophobicContact CG2-SD 4.5Å
36	H	32.9	Very low	32.6	Very low	167 Å²	167	119.3 Å²	119.3	77%	0.773	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-20.8	177	-140.9	-27.3	0	0	0	113.7	L32	L32-H36 PolarHBondContact O-N 3.1Å
37	H	31.6	Very low	32.2	Very low	165 Å²	165	122.1 Å²	122.1	76%	0.764	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-6.5	177.3	-93.7	-61.7	0	0	0	114.9	T35	T35-H37 PolarHBondContact O-N 2.95Å
38	H	29.8	Very low	31.9	Very low	169 Å²	169	122.1 Å²	122.1	78%	0.782	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124	4.6	-170.6	-109.2	-55.7	0	0	0	116.4	T35 H40	T35-H38 PolarHBondContact O-N 3.43Å; H38-H40 PolarHBondContact O-N 2.68Å
39	I	32.5	Very low	31.4	Very low	83 Å²	83	122.8 Å²	122.8	43%	0.426	61%	0.614	S	S	.	*			trans	-107.8	68	-176.9	-52.4	170.4	0	0	0	109.8	M49	I39-M49 HydrophobicContact CD1-CE 4.19Å
40	H	30.5	Very low	31.1	Very low	171 Å²	171	122.7 Å²	122.7	79%	0.792	61%	0.61	S	S	*	*	S	Bend	trans	-105.8	116.1	148.5	-116.6	-69.1	0	0	0	105.3	H38	H38-H40 PolarHBondContact O-N 2.68Å
41	N	29.4	Very low	30.9	Very low	144 Å²	144	119.7 Å²	119.7	77%	0.77	60%	0.604	S	S	*	*	S	Bend	trans	76.4	74.5	169.5	-45.8	-17.1	0	0	0	116.5
42	D	32.3	Very low	30.8	Very low	115 Å²	115	118.4 Å²	118.4	62%	0.615	60%	0.601	S	S	*	*			trans	-170	126.3	132.6	-115.8	-31.8	0	0	0	112.8
43	I	34.9	Very low	31	Very low	130 Å²	130	117.3 Å²	117.3	67%	0.667	60%	0.596	S	S	*	*	S	Bend	trans	-78.2	-25.5	-178.1	-72.6	168	0	0	0	111.3
44	N	33.9	Very low	31.2	Very low	131 Å²	131	115.1 Å²	115.1	70%	0.701	59%	0.589	S	S	*	*	H	α-helix	trans	-81.7	-22	-176.4	-70.8	-20.2	0	0	0	114.1	R46	N44-R46 VanDerWaalsContact C-N 3.29Å; N44-R46 PolarHBondContact O-N 3.35Å
45	A	34	Very low	31.4	Very low	59 Å²	59	112.4 Å²	112.4	49%	0.488	58%	0.582	S	S	.	*	H	α-helix	trans	-74.7	-17.2	174.2	0	0	0	0	0	113.3
46	R	27.7	Very low	31.6	Very low	126 Å²	126	115.4 Å²	115.4	48%	0.475	59%	0.593	S	S	.	*	H	α-helix	trans	-70.4	-38	179.3	-84.7	179.8	175.2	157.4	0.3	112.8	N44 F50	N44-R46 VanDerWaalsContact C-N 3.29Å; N44-R46 PolarHBondContact O-N 3.35Å; R46-F50 WeakPolarHBondContact O-CD2 3.36Å
47	N	29.4	Very low	31.6	Very low	119 Å²	119	112.1 Å²	112.1	64%	0.636	58%	0.581	S	S	*	*	H	α-helix	trans	-74.6	-31.1	-171.5	-73.1	-14.9	0	0	0	113.9	T51	N47-T51 PolarHBondContact O-OG1 2.97Å
48	S	30.5	Very low	31.8	Very low	75 Å²	75	108.2 Å²	108.2	52%	0.524	57%	0.566	S	S	.	*	H	α-helix	trans	-77.8	-30.5	178	58.8	0	0	0	0	113	T51	S48-T51 PolarHBondContact O-N 3.17Å; S48-T51 PolarHBondContact O-OG1 3.17Å
49	M	26.9	Very low	32.1	Very low	83 Å²	83	106.4 Å²	106.4	41%	0.409	56%	0.558	S	S	.	*	H	α-helix	trans	-70.4	-35.1	-179.6	-160.4	151.9	72.8	0	0	112.2	T35 I39 T51 D53	T35-M49 HydrophobicContact CG2-SD 4.5Å; I39-M49 HydrophobicContact CD1-CE 4.19Å; M49-T51 PolarHBondContact O-N 2.91Å; M49-D53 PolarHBondContact O-N 3.37Å
50	F	27	Very low	32.1	Very low	93 Å²	93	104.9 Å²	104.9	41%	0.408	55%	0.553	S	S	.	*	H	α-helix	trans	-69.2	-31.6	176.9	-77.3	-68.2	0	0	0	113.9	R46 L54	R46-F50 WeakPolarHBondContact O-CD2 3.36Å; F50-L54 WeakPolarHBondContact O-CB 3.5Å; F50-L54 WeakPolarHBondContact O-CD1 3.37Å; F50-L54 PolarHBondContact O-N 2.95Å
51	T	29	Very low	32.2	Very low	94 Å²	94	100.1 Å²	100.1	58%	0.577	54%	0.536	S	S	*	.	H	α-helix	trans	-72.4	-30.7	-179.5	34.2	0	0	0	0	113.5	N47 S48 M49	N47-T51 PolarHBondContact O-OG1 2.97Å; S48-T51 PolarHBondContact O-N 3.17Å; S48-T51 PolarHBondContact O-OG1 3.17Å; M49-T51 PolarHBondContact O-N 2.91Å
52	V	30.3	Very low	32.3	Very low	90 Å²	90	97.7 Å²	97.7	55%	0.545	52%	0.523	S	S	.	.	H	α-helix	trans	-79	-43.7	179.2	-179.7	0	0	0	0	110.9	L54 N55 E56	V52-L54 PolarHBondContact O-N 3.26Å; V52-N55 PolarHBondContact O-N 2.74Å; V52-E56 PolarHBondContact O-N 2.98Å
53	D	35.7	Very low	32.2	Very low	87 Å²	87	97 Å²	97	47%	0.465	52%	0.518	S	S	.	.	H	α-helix	trans	-65.1	-35.3	-179.7	-79.8	-18.4	0	0	0	113.3	M49 L57	M49-D53 PolarHBondContact O-N 3.37Å; D53-L57 WeakPolarHBondContact O-CB 3.47Å; D53-L57 PolarHBondContact O-N 3.18Å; D53-L57 VanDerWaalsContact O-N 3.09Å
54	L	34.3	Very low	32.1	Very low	100 Å²	100	96 Å²	96	52%	0.524	51%	0.513	S	S	.	.	H	α-helix	trans	-70.4	-30.6	176.7	-98.3	140.6	0	0	0	112.9	F50 V52 N58	F50-L54 WeakPolarHBondContact O-CB 3.5Å; F50-L54 WeakPolarHBondContact O-CD1 3.37Å; F50-L54 PolarHBondContact O-N 2.95Å; V52-L54 PolarHBondContact O-N 3.26Å; L54-N58 VanDerWaalsContact O-CB 3.32Å; L54-N58 WeakPolarHBondContact O-CB 3.38Å; L54-N58 PolarHBondContact O-N 3.35Å
55	N	36.1	Very low	32	Very low	113 Å²	113	94.4 Å²	94.4	60%	0.604	51%	0.505	S	S	*	.	H	α-helix	trans	-73.4	-39.7	177.4	-115.3	4	0	0	0	111.8	V52 L57 N58 Q59	V52-N55 PolarHBondContact O-N 2.74Å; N55-L57 VanDerWaalsContact C-N 3.35Å; N55-N58 PolarHBondContact O-N 2.92Å; N55-Q59 VanDerWaalsContact O-CG 3.27Å; N55-Q59 WeakPolarHBondContact O-CG 3.47Å; N55-Q59 PolarHBondContact O-N 3.28Å
56	E	34.3	Very low	31.8	Very low	109 Å²	109	95.5 Å²	95.5	51%	0.509	50%	0.502	S	S	.	.	H	α-helix	trans	-68.3	-33.6	173.7	-73.1	-168.9	164	0	0	112.6	V52 Q59 C60	V52-E56 PolarHBondContact O-N 2.98Å; E56-Q59 WeakPolarHBondContact O-CB 3.38Å; E56-Q59 PolarHBondContact O-N 2.84Å; E56-C60 PolarHBondContact O-N 2.81Å; E56-C60 PolarHBondContact O-SG 3.49Å
57	L	34.4	Very low	32	Very low	98 Å²	98	95.6 Å²	95.6	51%	0.513	51%	0.508	S	S	.	.	H	α-helix	trans	-73.2	-36.4	175.7	-147.7	147.2	0	0	0	111.5	D53 N55 C60 V61	D53-L57 WeakPolarHBondContact O-CB 3.47Å; D53-L57 PolarHBondContact O-N 3.18Å; D53-L57 VanDerWaalsContact O-N 3.09Å; N55-L57 VanDerWaalsContact C-N 3.35Å; L57-C60 PolarHBondContact O-N 3.09Å; L57-V61 HydrophobicContact CD2-CG2 4.47Å; L57-V61 WeakPolarHBondContact O-CG2 3.42Å; L57-V61 PolarHBondContact O-N 2.78Å
58	N	35.6	Very low	32.1	Very low	84 Å²	84	96.2 Å²	96.2	45%	0.449	51%	0.507	S	S	.	.	H	α-helix	trans	-63.9	-38	168.2	-86.8	-15.2	0	0	0	111.9	L54 N55 C60 V61 L62	L54-N58 VanDerWaalsContact O-CB 3.32Å; L54-N58 WeakPolarHBondContact O-CB 3.38Å; L54-N58 PolarHBondContact O-N 3.35Å; N55-N58 PolarHBondContact O-N 2.92Å; N58-C60 VanDerWaalsContact C-N 3.34Å; N58-V61 PolarHBondContact O-N 2.87Å; N58-L62 VanDerWaalsContact O-CB 3.3Å; N58-L62 WeakPolarHBondContact O-CB 3.29Å; N58-L62 WeakPolarHBondContact O-CG 3.4Å; N58-L62 PolarHBondContact O-N 3.45Å
59	Q	35.5	Very low	32.1	Very low	131 Å²	131	97.2 Å²	97.2	61%	0.612	51%	0.506	S	S	*	.	H	α-helix	trans	-63.1	-39.7	172.7	-72.1	-127.3	4.3	0	0	112.1	N55 E56 V61 L62 L63	N55-Q59 VanDerWaalsContact O-CG 3.27Å; N55-Q59 WeakPolarHBondContact O-CG 3.47Å; N55-Q59 PolarHBondContact O-N 3.28Å; E56-Q59 WeakPolarHBondContact O-CB 3.38Å; E56-Q59 PolarHBondContact O-N 2.84Å; Q59-V61 VanDerWaalsContact C-N 3.34Å; Q59-V61 PolarHBondContact O-N 2.76Å; Q59-L62 PolarHBondContact O-N 3.32Å; Q59-L63 WeakPolarHBondContact O-CB 3.17Å; Q59-L63 WeakPolarHBondContact O-CD1 3.38Å; Q59-L63 WeakPolarHBondContact O-CG 3.26Å; Q59-L63 PolarHBondContact O-N 3.15Å
60	C	31.9	Very low	32.1	Very low	50 Å²	50	97.5 Å²	97.5	34%	0.338	51%	0.509	S	S	.	.	H	α-helix	trans	-65.3	-36.5	175.2	-68.9	0	0	0	0	112.5	E56 L57 N58 I64	E56-C60 PolarHBondContact O-N 2.81Å; E56-C60 PolarHBondContact O-SG 3.49Å; L57-C60 PolarHBondContact O-N 3.09Å; N58-C60 VanDerWaalsContact C-N 3.34Å; C60-I64 WeakPolarHBondContact O-CD1 3.43Å; C60-I64 VanDerWaalsContact O-CG1 3.32Å; C60-I64 WeakPolarHBondContact O-CG1 3.17Å; C60-I64 PolarHBondContact O-N 2.84Å
61	V	32.9	Very low	32.2	Very low	71 Å²	71	100.8 Å²	100.8	43%	0.43	53%	0.526	S	S	.	.	H	α-helix	trans	-73.6	-38.1	175.5	173.9	0	0	0	0	111.5	L57 N58 Q59 I64 N65	L57-V61 HydrophobicContact CD2-CG2 4.47Å; L57-V61 WeakPolarHBondContact O-CG2 3.42Å; L57-V61 PolarHBondContact O-N 2.78Å; N58-V61 PolarHBondContact O-N 2.87Å; Q59-V61 VanDerWaalsContact C-N 3.34Å; Q59-V61 PolarHBondContact O-N 2.76Å; V61-I64 PolarHBondContact O-N 2.81Å; V61-N65 PolarHBondContact O-N 3.01Å; V61-N65 VanDerWaalsContact O-N 3.15Å
62	L	32.2	Very low	32.2	Very low	94 Å²	94	102.1 Å²	102.1	49%	0.492	53%	0.529	S	S	.	.	H	α-helix	trans	-66.6	-37.7	174.8	-81	162	0	0	0	112.2	N58 Q59 I64 N65 N66	N58-L62 VanDerWaalsContact O-CB 3.3Å; N58-L62 WeakPolarHBondContact O-CB 3.29Å; N58-L62 WeakPolarHBondContact O-CG 3.4Å; N58-L62 PolarHBondContact O-N 3.45Å; Q59-L62 PolarHBondContact O-N 3.32Å; L62-I64 VanDerWaalsContact C-N 3.28Å; L62-I64 PolarHBondContact O-N 3.36Å; L62-N65 PolarHBondContact O-N 3.08Å; L62-N66 VanDerWaalsContact O-CB 3.25Å; L62-N66 WeakPolarHBondContact O-CB 3.44Å; L62-N66 VanDerWaalsContact O-CG 3.28Å; L62-N66 PolarHBondContact O-N 3.13Å
63	L	30.7	Very low	32.1	Very low	99 Å²	99	101.1 Å²	101.1	52%	0.518	52%	0.52	S	S	.	.	H	α-helix	trans	-63.7	-31.7	174.5	-85.6	158.5	0	0	0	112.8	Q59 H67	Q59-L63 WeakPolarHBondContact O-CB 3.17Å; Q59-L63 WeakPolarHBondContact O-CD1 3.38Å; Q59-L63 WeakPolarHBondContact O-CG 3.26Å; Q59-L63 PolarHBondContact O-N 3.15Å; L63-H67 PolarHBondContact O-N 3.32Å
64	I	32.7	Very low	31.7	Very low	110 Å²	110	104.4 Å²	104.4	56%	0.564	53%	0.533	S	S	*	.	H	α-helix	trans	-75.7	-38	176.8	-66.2	166.7	0	0	0	111	C60 V61 L62	C60-I64 WeakPolarHBondContact O-CD1 3.43Å; C60-I64 VanDerWaalsContact O-CG1 3.32Å; C60-I64 WeakPolarHBondContact O-CG1 3.17Å; C60-I64 PolarHBondContact O-N 2.84Å; V61-I64 PolarHBondContact O-N 2.81Å; L62-I64 VanDerWaalsContact C-N 3.28Å; L62-I64 PolarHBondContact O-N 3.36Å
65	N	30.5	Very low	31.4	Very low	97 Å²	97	106.9 Å²	106.9	52%	0.519	55%	0.546	S	S	.	.	H	α-helix	trans	-78.5	-33.6	178.3	-75.6	-14.4	0	0	0	113.2	V61 L62	V61-N65 PolarHBondContact O-N 3.01Å; V61-N65 VanDerWaalsContact O-N 3.15Å; L62-N65 PolarHBondContact O-N 3.08Å
66	N	30.3	Very low	31	Very low	82 Å²	82	108.4 Å²	108.4	44%	0.439	55%	0.554	S	S	.	*	H	α-helix	trans	-77.6	-23.9	-177.8	-72.7	-13.3	0	0	0	113.3	L62 L69 N70	L62-N66 VanDerWaalsContact O-CB 3.25Å; L62-N66 WeakPolarHBondContact O-CB 3.44Å; L62-N66 VanDerWaalsContact O-CG 3.28Å; L62-N66 PolarHBondContact O-N 3.13Å; N66-L69 PolarHBondContact O-N 3.05Å; N66-N70 PolarHBondContact O-N 3.33Å
67	H	31.6	Very low	30.6	Very low	128 Å²	128	109.6 Å²	109.6	59%	0.593	56%	0.563	S	S	*	*	H	α-helix	trans	-77.9	-21.7	176.5	-99.9	-70.2	0	0	0	114.2	L63	L63-H67 PolarHBondContact O-N 3.32Å
68	E	32.4	Very low	30.3	Very low	133 Å²	133	113.1 Å²	113.1	62%	0.621	58%	0.576	S	S	*	*	H	α-helix	trans	-79	-20.5	166.8	-82.3	-167.2	174.2	0	0	112.2	R334	E68-R334 IonicContact OE1-NH1 3.69Å; E68-R334 IonicContact OE2-CZ 2.98Å; E68-R334 IonicContact OE2-NH1 3.85Å; E68-R334 PolarHBondContact OE2-NH1 2.96Å; E68-R334 IonicContact OE2-NH2 3.43Å
69	L	29.5	Very low	29.7	Very low	96 Å²	96	116 Å²	116	50%	0.503	59%	0.592	S	S	.	*	H	α-helix	trans	-84.8	-25.3	174.5	-86.7	155.3	0	0	0	113.5	N66 H71 N72 I73	N66-L69 PolarHBondContact O-N 3.05Å; L69-H71 VanDerWaalsContact C-N 3.27Å; L69-H71 PolarHBondContact O-N 2.95Å; L69-N72 PolarHBondContact O-N 3.46Å; L69-I73 HydrophobicContact CB-CD1 4.18Å; L69-I73 HydrophobicContact CD2-CD1 4.47Å; L69-I73 WeakPolarHBondContact O-CG1 3.41Å; L69-I73 PolarHBondContact O-N 3.43Å
70	N	28.5	Very low	29.3	Very low	89 Å²	89	117.9 Å²	117.9	48%	0.476	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77	-3.2	-178.1	-99.7	-6	0	0	0	115.9	N66	N66-N70 PolarHBondContact O-N 3.33Å
71	H	28.7	Very low	28.9	Very low	161 Å²	161	123.3 Å²	123.3	75%	0.745	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-2.1	169.1	-86.9	-61.9	0	0	0	114.2	L69	L69-H71 VanDerWaalsContact C-N 3.27Å; L69-H71 PolarHBondContact O-N 2.95Å
72	N	28.5	Very low	28.6	Very low	123 Å²	123	125.2 Å²	125.2	66%	0.658	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.3	2.4	174	-82.1	-7.6	0	0	0	113.9	L69	L69-N72 PolarHBondContact O-N 3.46Å
73	I	28.3	Very low	28.2	Very low	69 Å²	69	125.7 Å²	125.7	35%	0.354	65%	0.654	S	S	.	*	S	Bend	trans	-99.3	-18.1	178.1	-68.7	173	0	0	0	112.2	L69 D75 L76 L77	L69-I73 HydrophobicContact CB-CD1 4.18Å; L69-I73 HydrophobicContact CD2-CD1 4.47Å; L69-I73 WeakPolarHBondContact O-CG1 3.41Å; L69-I73 PolarHBondContact O-N 3.43Å; I73-D75 VanDerWaalsContact C-N 3.3Å; I73-D75 PolarHBondContact O-N 3.29Å; I73-L76 PolarHBondContact O-N 2.91Å; I73-L77 HydrophobicContact CG2-CD1 3.59Å; I73-L77 HydrophobicContact CG2-CG 4.1Å; I73-L77 WeakPolarHBondContact O-CG 3.42Å; I73-L77 PolarHBondContact O-N 2.98Å
74	Q	27.3	Very low	27.9	Very low	155 Å²	155	127.7 Å²	127.7	72%	0.724	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-18.1	174	-80.6	-166	-27.2	0	0	114.3
75	D	28.3	Very low	27.7	Very low	152 Å²	152	130.6 Å²	130.6	81%	0.813	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	0	173.2	-73.6	-23.6	0	0	0	113.3	I73	I73-D75 VanDerWaalsContact C-N 3.3Å; I73-D75 PolarHBondContact O-N 3.29Å
76	L	27.7	Very low	27.4	Very low	145 Å²	145	133.7 Å²	133.7	76%	0.759	69%	0.689	S	S	*	*	S	Bend	trans	-117	2.7	-179.6	-117.8	130.6	0	0	0	113.5	I73	I73-L76 PolarHBondContact O-N 2.91Å
77	L	25.8	Very low	27.1	Very low	134 Å²	134	136.3 Å²	136.3	70%	0.702	70%	0.704	S	S	*	*			trans	-105.9	10.8	179.4	-78.6	170	0	0	0	114.2	I73	I73-L77 HydrophobicContact CG2-CD1 3.59Å; I73-L77 HydrophobicContact CG2-CG 4.1Å; I73-L77 WeakPolarHBondContact O-CG 3.42Å; I73-L77 PolarHBondContact O-N 2.98Å
78	H	26.8	Very low	26.7	Very low	172 Å²	172	139.1 Å²	139.1	80%	0.796	72%	0.715	S	S	*	*			trans	-98.9	74.1	160.4	-86.5	-53.8	0	0	0	109.1
79	N	24.6	Very low	26.2	Very low	146 Å²	146	141.3 Å²	141.3	78%	0.781	72%	0.724	S	S	*	*	S	Bend	trans	-171.4	114.2	147.3	-91.6	-20.8	0	0	0	109.5
80	E	25.7	Very low	26	Very low	170 Å²	170	141.2 Å²	141.2	79%	0.794	73%	0.732	S	S	*	*			trans	73.9	95.2	150.2	-58	-173.9	165.6	0	0	118.8
81	D	24.2	Very low	25.7	Very low	163 Å²	163	145.5 Å²	145.5	87%	0.872	75%	0.753	S	S	*	*				33.5	92.1	112.8	-65.5	-30.1	0	0	0	116.9
82	S	26.7	Very low	25.5	Very low	111 Å²	111	145 Å²	145	78%	0.776	76%	0.755	S	S	*	*				-168	107.2	126.9	40.3	0	0	0	0	110.8	N84	S82-N84 PolarHBondContact O-N 3.47Å
83	S	23.2	Very low	25.3	Very low	104 Å²	104	145.9 Å²	145.9	73%	0.727	76%	0.76	S	S	*	*			trans	-45.2	118.4	149.1	49.4	0	0	0	0	110.5
84	N	25.1	Very low	25.2	Very low	142 Å²	142	148.6 Å²	148.6	76%	0.759	78%	0.775	S	S	*	*				175	127.8	128.9	-88.9	-33.5	0	0	0	113.5	S82	S82-N84 PolarHBondContact O-N 3.47Å
85	K	27.9	Very low	25.1	Very low	170 Å²	170	148.2 Å²	148.2	74%	0.739	78%	0.778	S	S	*	*			trans	66.3	93.4	150.1	-67	178	177.7	176.2	0	119.2	N87	K85-N87 PolarHBondContact O-N 3.03Å; K85-N87 VanDerWaalsContact O-N 3.14Å
86	L	23.9	Very low	25.1	Very low	162 Å²	162	148.3 Å²	148.3	85%	0.848	78%	0.778	S	S	*	*			trans	-56.2	101.5	138.7	-88.4	147.9	0	0	0	109.2
87	N	24.1	Very low	24.9	Very low	138 Å²	138	148.6 Å²	148.6	74%	0.738	78%	0.781	S	S	*	*			trans	-124.8	102.3	164.3	-97.4	-1.2	0	0	0	108.9	K85	K85-N87 PolarHBondContact O-N 3.03Å; K85-N87 VanDerWaalsContact O-N 3.14Å
88	F	24.3	Very low	24.8	Very low	187 Å²	187	148 Å²	148	82%	0.82	78%	0.782	S	S	*	*			trans	-76.5	109.4	152.1	-82.2	-92.9	0	0	0	106.8
89	H	21.1	Very low	24.6	Very low	179 Å²	179	144 Å²	144	83%	0.829	77%	0.773	S	S	*	*			trans	-178.5	139.1	145.2	-101.6	-64	0	0	0	112.5
90	S	24.5	Very low	24.6	Very low	94 Å²	94	143.7 Å²	143.7	66%	0.657	77%	0.772	S	S	*	*			trans	53.8	104.2	144.9	59.6	0	0	0	0	119.2
91	I	23.5	Very low	24.6	Very low	179 Å²	179	142.5 Å²	142.5	92%	0.918	77%	0.771	S	S	*	*			trans	-93.1	87.5	144.8	-59	172.9	0	0	0	106.5
92	L	23.7	Very low	24.6	Very low	150 Å²	150	143.5 Å²	143.5	79%	0.785	77%	0.767	S	S	*	*			trans	-138	117.6	149.3	-87.3	169.5	0	0	0	103.1
93	N	25	Very low	24.4	Very low	142 Å²	142	145 Å²	145	76%	0.759	77%	0.767	S	S	*	*			trans	-159.1	126.8	143.6	-105.6	24.4	0	0	0	109.4
94	D	26.7	Very low	24.4	Very low	126 Å²	126	149.9 Å²	149.9	67%	0.674	78%	0.775	S	S	*	*			trans	77.6	100.2	139	-51.3	-25.9	0	0	0	119.1	N96	D94-N96 PolarHBondContact O-N 3.16Å
95	D	23.9	Very low	24.4	Very low	146 Å²	146	149.8 Å²	149.8	78%	0.781	78%	0.775	S	S	*	*			trans	11.7	101.2	130.1	-62.1	-28.2	0	0	0	116
96	N	28.1	Very low	24.2	Very low	154 Å²	154	146.6 Å²	146.6	82%	0.824	77%	0.773	S	S	*	*				177	117	119.3	-85.9	-37.6	0	0	0	110.2	D94	D94-N96 PolarHBondContact O-N 3.16Å
97	D	23.4	Very low	24.3	Very low	152 Å²	152	146.5 Å²	146.5	81%	0.813	77%	0.767	S	S	*	*			trans	54.2	125.3	141.4	-89	-18.2	0	0	0	122.9
98	V	23.7	Very low	24.4	Very low	120 Å²	120	143.5 Å²	143.5	73%	0.727	76%	0.758	S	S	*	*			trans	90	97.6	141.9	-176.9	0	0	0	0	118.7
99	S	23.8	Very low	24.5	Very low	88 Å²	88	141.2 Å²	141.2	62%	0.615	75%	0.753	S	S	*	*			trans	55.7	113.4	136.7	75.9	0	0	0	0	120.1
100	N	24.6	Very low	24.8	Very low	141 Å²	141	137.4 Å²	137.4	75%	0.754	74%	0.738	S	S	*	*				168.7	129.5	102.7	-90	-26.4	0	0	0	111.3
101	D	24.3	Very low	24.9	Very low	144 Å²	144	140 Å²	140	77%	0.77	74%	0.738	S	S	*	*			trans	25.5	107.2	145	-65.9	-24.1	0	0	0	118.6
102	K	24.5	Very low	25	Very low	184 Å²	184	140 Å²	140	80%	0.8	73%	0.732	S	S	*	*				170.8	132.3	112.1	-90.9	159.4	-174.1	175.1	0	113.5
103	D	24.1	Very low	25.1	Very low	143 Å²	143	142 Å²	142	77%	0.765	73%	0.728	S	S	*	*			trans	66.2	78.2	142.5	-57.7	-26.6	0	0	0	120.3
104	F	23	Very low	25.2	Very low	207 Å²	207	141.7 Å²	141.7	91%	0.908	72%	0.717	S	S	*	*			trans	-140	83.2	153.5	-101	-86.9	0	0	0	111.3
105	N	24.7	Very low	25.1	Very low	140 Å²	140	140.5 Å²	140.5	75%	0.749	71%	0.71	S	S	*	*			trans	-160.1	35.2	161.8	-125.3	-13.8	0	0	0	117.4
106	C	24.2	Very low	25.3	Very low	102 Å²	102	137.5 Å²	137.5	69%	0.689	70%	0.701	S	S	*	*	S	Bend	trans	-109.3	-15.1	176.5	-121.7	0	0	0	0	115.5
107	H	24.1	Very low	25.3	Very low	160 Å²	160	135 Å²	135	74%	0.741	69%	0.687	S	S	*	*	H	α-helix	trans	-85.5	-22	-175.8	-94	-76.9	0	0	0	115.1
108	S	27.8	Very low	25.5	Very low	76 Å²	76	132 Å²	132	53%	0.531	67%	0.67	S	S	.	*	H	α-helix	trans	-78.3	-37.1	-175.5	172.3	0	0	0	0	113.6	F111	S108-F111 PolarHBondContact O-N 3.21Å
109	L	25.8	Very low	25.6	Very low	139 Å²	139	133 Å²	133	73%	0.728	67%	0.665	S	S	*	*	H	α-helix	trans	-76.1	-27.6	-177.6	-92.1	144.4	0	0	0	113.7
110	L	27.3	Very low	25.8	Very low	99 Å²	99	134.5 Å²	134.5	52%	0.518	67%	0.666	S	S	.	*	H	α-helix	trans	-67.6	-38.4	173	-81.9	159.7	0	0	0	111.3	K112 R113 W114	L110-K112 PolarHBondContact O-N 3.47Å; L110-R113 PolarHBondContact O-N 2.91Å; L110-W114 PolarHBondContact O-N 3.43Å
111	F	26.5	Very low	26	Very low	149 Å²	149	134.2 Å²	134.2	65%	0.654	66%	0.655	S	S	*	*	H	α-helix	trans	-68.5	-39.5	-174.2	-119	-87.8	0	0	0	113.8	S108	S108-F111 PolarHBondContact O-N 3.21Å
112	K	25.4	Very low	26.1	Very low	179 Å²	179	134.3 Å²	134.3	78%	0.778	65%	0.646	S	S	*	*	H	α-helix	trans	-71.4	-29.7	179.5	-83	-178.4	172.3	177	0	113.5	L110	L110-K112 PolarHBondContact O-N 3.47Å
113	R	25.9	Very low	26.3	Very low	191 Å²	191	131.4 Å²	131.4	72%	0.721	64%	0.639	S	S	*	*	H	α-helix	trans	-80.5	-27.1	-179.8	-161.4	163.9	169.3	139.1	-3.9	112.7	L110	L110-R113 PolarHBondContact O-N 2.91Å
114	W	27.7	Very low	26.6	Very low	135 Å²	135	128.8 Å²	128.8	51%	0.511	63%	0.625	S	S	.	*	H	α-helix	trans	-74.4	-33.2	178.2	-85.6	69.4	0	0	0	113.9	L110 S116 I117 L118	L110-W114 PolarHBondContact O-N 3.43Å; W114-S116 VanDerWaalsContact C-N 3.3Å; W114-S116 PolarHBondContact O-N 3.22Å; W114-I117 PolarHBondContact O-N 3.38Å; W114-L118 PolarHBondContact O-N 3.1Å; W114-L118 VanDerWaalsContact O-N 3.09Å
115	N	25.3	Very low	26.9	Very low	101 Å²	101	122.3 Å²	122.3	54%	0.54	60%	0.6	S	S	.	*	H	α-helix	trans	-67.1	-28.5	178.5	-83.4	-10.8	0	0	0	113.5
116	S	27.4	Very low	27.2	Very low	83 Å²	83	119 Å²	119	58%	0.58	59%	0.587	S	S	*	*	H	α-helix	trans	-74.4	-37	175.9	-172.5	0	0	0	0	112.4	W114 F119	W114-S116 VanDerWaalsContact C-N 3.3Å; W114-S116 PolarHBondContact O-N 3.22Å; S116-F119 PolarHBondContact O-N 3.01Å
117	I	28	Very low	27.4	Very low	103 Å²	103	118.8 Å²	118.8	53%	0.528	58%	0.578	S	S	.	*	H	α-helix	trans	-72.9	-35.2	179.5	-63.9	167.8	0	0	0	111.3	W114 F119	W114-I117 PolarHBondContact O-N 3.38Å; I117-F119 VanDerWaalsContact C-N 3.3Å; I117-F119 PolarHBondContact O-N 3.49Å
118	L	27.5	Very low	27.6	Very low	88 Å²	88	114.9 Å²	114.9	46%	0.461	56%	0.562	S	S	.	*	H	α-helix	trans	-67.1	-32.1	178	-143.7	80.2	0	0	0	112.2	W114 Y122	W114-L118 PolarHBondContact O-N 3.1Å; W114-L118 VanDerWaalsContact O-N 3.09Å; L118-Y122 WeakPolarHBondContact O-CD2 3.42Å
119	F	25.5	Very low	27.6	Very low	141 Å²	141	116.7 Å²	116.7	62%	0.618	56%	0.562	S	S	*	*	H	α-helix	trans	-72.9	-34.2	-177.9	-111.8	-87.8	0	0	0	113.6	S116 I117	S116-F119 PolarHBondContact O-N 3.01Å; I117-F119 VanDerWaalsContact C-N 3.3Å; I117-F119 PolarHBondContact O-N 3.49Å
120	N	27.8	Very low	27.6	Very low	120 Å²	120	116 Å²	116	64%	0.642	56%	0.559	S	S	*	*	H	α-helix	trans	-71.8	-31.9	177.3	-84.3	-8.6	0	0	0	112.9	Y122 N123	N120-Y122 VanDerWaalsContact C-N 3.28Å; N120-Y122 PolarHBondContact O-N 3.34Å; N120-N123 PolarHBondContact O-N 3.28Å
121	Y	28.4	Very low	27.6	Very low	135 Å²	135	118.3 Å²	118.3	53%	0.529	57%	0.565	S	S	.	*	H	α-helix	trans	-69.1	-24.6	-179.7	-129.2	-92.3	0	0	0	113.5	L125	Y121-L125 PolarHBondContact O-N 2.79Å
122	Y	28.1	Very low	27.6	Very low	145 Å²	145	117.6 Å²	117.6	57%	0.569	56%	0.562	S	S	*	*	H	α-helix	trans	-76.7	-28.6	-179.8	-95.7	-79.6	0	0	0	113.3	L118 N120 L125	L118-Y122 WeakPolarHBondContact O-CD2 3.42Å; N120-Y122 VanDerWaalsContact C-N 3.28Å; N120-Y122 PolarHBondContact O-N 3.34Å; Y122-L125 HydrophobicContact CE1-CD2 4.43Å; Y122-L125 PolarHBondContact O-N 3.05Å
123	N	28.7	Very low	27.7	Very low	123 Å²	123	114.7 Å²	114.7	66%	0.658	55%	0.553	S	S	*	*	H	α-helix	trans	-68.8	-36.6	172.6	-87.6	-8.9	0	0	0	111.4	N120 S126	N120-N123 PolarHBondContact O-N 3.28Å; N123-S126 PolarHBondContact O-OG 3.04Å
124	D	29.4	Very low	27.7	Very low	88 Å²	88	112 Å²	112	47%	0.471	55%	0.553	S	S	.	*	H	α-helix	trans	-75	-24.5	176.8	-75.1	-25.3	0	0	0	113.9	S126 I127 I128	D124-S126 PolarHBondContact O-N 2.69Å; D124-I127 PolarHBondContact O-N 2.85Å; D124-I128 WeakPolarHBondContact O-CG1 3.26Å; D124-I128 PolarHBondContact O-N 3.27Å
125	L	29.2	Very low	27.6	Very low	72 Å²	72	113.6 Å²	113.6	38%	0.377	56%	0.56	S	S	.	*	H	α-helix	trans	-63.4	-31.3	177.8	-145	79	0	0	0	112.3	Y121 Y122 I127 I128 Q129	Y121-L125 PolarHBondContact O-N 2.79Å; Y122-L125 HydrophobicContact CE1-CD2 4.43Å; Y122-L125 PolarHBondContact O-N 3.05Å; L125-I127 VanDerWaalsContact C-N 3.33Å; L125-I128 PolarHBondContact O-N 2.76Å; L125-Q129 WeakPolarHBondContact O-CG 3.28Å; L125-Q129 PolarHBondContact O-N 2.96Å
126	S	30.4	Very low	27.5	Very low	69 Å²	69	116.9 Å²	116.9	48%	0.483	57%	0.57	S	S	.	*	H	α-helix	trans	-68.1	-32.3	174.2	73.5	0	0	0	0	112.7	N123 D124	N123-S126 PolarHBondContact O-OG 3.04Å; D124-S126 PolarHBondContact O-N 2.69Å
127	I	29	Very low	27.3	Very low	99 Å²	99	118.3 Å²	118.3	51%	0.508	58%	0.575	S	S	.	*	H	α-helix	trans	-77.3	-32.8	177.6	-59.4	173.9	0	0	0	110.4	D124 L125	D124-I127 PolarHBondContact O-N 2.85Å; L125-I127 VanDerWaalsContact C-N 3.33Å
128	I	28.6	Very low	27	Very low	77 Å²	77	118 Å²	118	40%	0.395	58%	0.58	S	S	.	*	H	α-helix	trans	-75	-38	177.4	-65.1	168.3	0	0	0	111.3	D124 L125 N130 K131 F132	D124-I128 WeakPolarHBondContact O-CG1 3.26Å; D124-I128 PolarHBondContact O-N 3.27Å; L125-I128 PolarHBondContact O-N 2.76Å; I128-N130 VanDerWaalsContact C-N 3.34Å; I128-N130 PolarHBondContact O-N 3.36Å; I128-K131 PolarHBondContact O-N 2.73Å; I128-F132 HydrophobicContact CG2-CD2 3.69Å; I128-F132 HydrophobicContact CG2-CE2 3.82Å; I128-F132 WeakPolarHBondContact O-CD2 3.41Å; I128-F132 PolarHBondContact O-N 2.98Å; I128-F132 VanDerWaalsContact O-N 3.16Å
129	Q	27.9	Very low	26.9	Very low	114 Å²	114	121.1 Å²	121.1	53%	0.533	60%	0.596	S	S	.	*	H	α-helix	trans	-62.6	-38	177.4	-81.2	-178.1	-17.5	0	0	112.8	L125 K131 F132 I133	L125-Q129 WeakPolarHBondContact O-CG 3.28Å; L125-Q129 PolarHBondContact O-N 2.96Å; Q129-K131 VanDerWaalsContact C-N 3.33Å; Q129-K131 PolarHBondContact O-N 2.72Å; Q129-F132 PolarHBondContact O-N 2.87Å; Q129-I133 WeakPolarHBondContact O-CD1 3.39Å; Q129-I133 WeakPolarHBondContact O-CG1 3.18Å; Q129-I133 PolarHBondContact O-N 2.81Å
130	N	26.5	Very low	26.8	Very low	124 Å²	124	123.1 Å²	123.1	66%	0.663	60%	0.604	S	S	*	*	H	α-helix	trans	-71.6	-24.5	176.9	-88.3	-24.6	0	0	0	114	I128	I128-N130 VanDerWaalsContact C-N 3.34Å; I128-N130 PolarHBondContact O-N 3.36Å
131	K	26.7	Very low	26.7	Very low	149 Å²	149	124.6 Å²	124.6	65%	0.648	61%	0.612	S	S	*	*	H	α-helix	trans	-78.4	-37.5	174.1	-86.2	179.2	177.4	173.6	0	112.3	I128 Q129 Y135	I128-K131 PolarHBondContact O-N 2.73Å; Q129-K131 VanDerWaalsContact C-N 3.33Å; Q129-K131 PolarHBondContact O-N 2.72Å; K131-Y135 WeakPolarHBondContact O-CD2 3.41Å
132	F	27.2	Very low	26.5	Very low	133 Å²	133	127.2 Å²	127.2	58%	0.583	63%	0.626	S	S	*	*	H	α-helix	trans	-78	-27.2	-176	-87.4	-83.5	0	0	0	114.7	I128 Q129 N134 Y135	I128-F132 HydrophobicContact CG2-CD2 3.69Å; I128-F132 HydrophobicContact CG2-CE2 3.82Å; I128-F132 WeakPolarHBondContact O-CD2 3.41Å; I128-F132 PolarHBondContact O-N 2.98Å; I128-F132 VanDerWaalsContact O-N 3.16Å; Q129-F132 PolarHBondContact O-N 2.87Å; F132-N134 PolarHBondContact O-N 2.84Å; F132-Y135 PolarHBondContact O-N 2.76Å
133	I	27	Very low	26.3	Very low	118 Å²	118	129.3 Å²	129.3	61%	0.605	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-66.4	-26.5	179.5	-68.7	167.6	0	0	0	112	Q129	Q129-I133 WeakPolarHBondContact O-CD1 3.39Å; Q129-I133 WeakPolarHBondContact O-CG1 3.18Å; Q129-I133 PolarHBondContact O-N 2.81Å
134	N	25.2	Very low	26.2	Very low	134 Å²	134	130 Å²	130	72%	0.717	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-83.1	-5.5	177	-78.5	-29.4	0	0	0	115	F132	F132-N134 PolarHBondContact O-N 2.84Å
135	Y	26.6	Very low	25.9	Very low	169 Å²	169	133.3 Å²	133.3	66%	0.663	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-97.1	-5.9	178.9	-77.7	-76.8	0	0	0	114.3	K131 F132	K131-Y135 WeakPolarHBondContact O-CD2 3.41Å; F132-Y135 PolarHBondContact O-N 2.76Å
136	F	22.7	Very low	25.7	Very low	171 Å²	171	138 Å²	138	75%	0.75	67%	0.673	S	S	*	*			trans	-127.4	41.3	-175.8	-78.4	-81.4	0	0	0	113.6	P138	F136-P138 VanDerWaalsContact O-CD 3.22Å; F136-P138 WeakPolarHBondContact O-CD 3.46Å
137	V	22.2	Very low	25.6	Very low	112 Å²	112	140.5 Å²	140.5	68%	0.679	69%	0.685	S	S	*	*			trans	-88.6	106.4	158	-176.5	0	0	0	0	107.3	I139	V137-I139 PolarHBondContact O-N 3.43Å; V137-I139 VanDerWaalsContact O-N 3.14Å
138	P	22.5	Very low	25.3	Very low	97 Å²	97	142.3 Å²	142.3	63%	0.63	70%	0.701	S	S	*	*			trans	-60.8	121.7	165.7	26.9	-31.1	0	0	0	106.5	F136 K140	F136-P138 VanDerWaalsContact O-CD 3.22Å; F136-P138 WeakPolarHBondContact O-CD 3.46Å; P138-K140 PolarHBondContact O-N 2.83Å
139	I	25.8	Very low	25.3	Very low	154 Å²	154	145.1 Å²	145.1	79%	0.79	72%	0.722	S	S	*	*			trans	-63.9	87.6	169.2	-61.2	172.6	0	0	0	106.2	V137 N141	V137-I139 PolarHBondContact O-N 3.43Å; V137-I139 VanDerWaalsContact O-N 3.14Å; I139-N141 PolarHBondContact O-N 2.91Å
140	K	23.8	Very low	25.1	Very low	183 Å²	183	145.6 Å²	145.6	80%	0.796	73%	0.732	S	S	*	*			trans	-66.8	112.7	162.3	-81	-177.2	173.8	179.9	0	106.4	P138	P138-K140 PolarHBondContact O-N 2.83Å
141	N	24	Very low	25.2	Very low	151 Å²	151	145.2 Å²	145.2	81%	0.807	74%	0.735	S	S	*	*			trans	48.9	88.4	157.1	-61.2	-13.2	0	0	0	116.7	I139	I139-N141 PolarHBondContact O-N 2.91Å
142	K	25.3	Very low	25.2	Very low	189 Å²	189	144.9 Å²	144.9	82%	0.822	74%	0.739	S	S	*	*			trans	-101	108	136.6	-87.2	-175.4	174.4	-178	0	107.3	I144	K142-I144 PolarHBondContact O-N 3.41Å; K142-I144 VanDerWaalsContact O-N 3.09Å
143	K	23.7	Very low	25.1	Very low	190 Å²	190	145.1 Å²	145.1	83%	0.826	75%	0.746	S	S	*	*			trans	-51.3	114.9	165.3	-77.1	177.9	173.7	-179.6	0	107	E145	K143-E145 PolarHBondContact O-N 3.01Å
144	I	26.9	Very low	25.3	Very low	137 Å²	137	145.2 Å²	145.2	70%	0.703	75%	0.753	S	S	*	*			trans	-76	101.4	162	-65.3	170	0	0	0	104	K142 H146	K142-I144 PolarHBondContact O-N 3.41Å; K142-I144 VanDerWaalsContact O-N 3.09Å; I144-H146 PolarHBondContact O-N 3.44Å; I144-H146 VanDerWaalsContact O-N 3.17Å
145	E	23.5	Very low	25.3	Very low	158 Å²	158	144.4 Å²	144.4	74%	0.738	75%	0.753	S	S	*	*			trans	-67.2	107.3	166.3	-75.2	-179.9	168.7	0	0	107.5	K143 T147	K143-E145 PolarHBondContact O-N 3.01Å; E145-T147 PolarHBondContact O-N 3.26Å
146	H	23.5	Very low	25.1	Very low	171 Å²	171	143.2 Å²	143.2	79%	0.792	76%	0.758	S	S	*	*			trans	-77.9	96.5	160.9	-72.2	-74	0	0	0	107.5	I144	I144-H146 PolarHBondContact O-N 3.44Å; I144-H146 VanDerWaalsContact O-N 3.17Å
147	T	28.4	Very low	25.4	Very low	121 Å²	121	142.9 Å²	142.9	74%	0.742	76%	0.762	S	S	*	*			trans	-98.1	106.4	159.7	35.6	0	0	0	0	108.4	E145	E145-T147 PolarHBondContact O-N 3.26Å
148	T	23.8	Very low	25.5	Very low	136 Å²	136	143.4 Å²	143.4	83%	0.834	77%	0.765	S	S	*	*			trans	-60.1	127.6	164.2	32.5	0	0	0	0	110.1
149	T	28.9	Very low	25.8	Very low	136 Å²	136	145.6 Å²	145.6	83%	0.834	78%	0.777	S	S	*	*			trans	-145.1	105	153.3	14.2	0	0	0	0	109.5
150	T	23.1	Very low	25.7	Very low	124 Å²	124	145.8 Å²	145.8	76%	0.761	78%	0.778	S	S	*	*			trans	-59.8	132.3	157.5	37.3	0	0	0	0	110.7
151	T	28.4	Very low	25.9	Very low	116 Å²	116	146.2 Å²	146.2	71%	0.712	78%	0.78	S	S	*	*				163.4	112.6	122.9	40.7	0	0	0	0	110.5
152	I	25.9	Very low	25.8	Very low	142 Å²	142	146.1 Å²	146.1	73%	0.728	78%	0.78	S	S	*	*				88.6	115	99.7	-67.2	171.6	0	0	0	114.7
153	N	25.7	Very low	25.9	Very low	138 Å²	138	144.4 Å²	144.4	74%	0.738	78%	0.775	S	S	*	*			trans	89.6	130.9	144.2	-70.7	-4.3	0	0	0	125.6
154	T	30.4	Very low	25.9	Very low	121 Å²	121	143 Å²	143	74%	0.742	78%	0.776	S	S	*	*			trans	87.8	96.8	142.3	48.1	0	0	0	0	122.4
155	T	25.3	Very low	25.8	Very low	117 Å²	117	142.2 Å²	142.2	72%	0.718	77%	0.773	S	S	*	*				44.4	124.2	123.7	53.9	0	0	0	0	123.8
156	N	24	Very low	25.8	Very low	144 Å²	144	143 Å²	143	77%	0.77	78%	0.782	S	S	*	*			trans	72.9	113.5	139.1	-62	-9.2	0	0	0	120.4
157	I	28.1	Very low	25.9	Very low	163 Å²	163	144 Å²	144	84%	0.836	78%	0.784	S	S	*	*				172.5	137.9	109.2	-82.1	157.3	0	0	0	110.3
158	T	25.2	Very low	25.7	Very low	123 Å²	123	147.1 Å²	147.1	76%	0.755	79%	0.787	S	S	*	*			trans	-52.8	146.6	177.9	48.2	0	0	0	0	116.6
159	T	27.7	Very low	25.8	Very low	144 Å²	144	149 Å²	149	88%	0.883	79%	0.791	S	S	*	*			trans	-156.4	126.8	140.1	18.2	0	0	0	0	111.9
160	I	25	Very low	25.6	Very low	157 Å²	157	151.8 Å²	151.8	81%	0.805	79%	0.792	S	S	*	*			trans	-64.6	134.2	170.5	-65.4	154.3	0	0	0	109.4
161	K	26.7	Very low	25.8	Very low	192 Å²	192	149.8 Å²	149.8	84%	0.835	78%	0.783	S	S	*	*			trans	-136.5	105.4	153.3	-92.3	-174.8	178.9	174	0	110.8	Q163	K161-Q163 PolarHBondContact O-N 2.94Å
162	N	23.2	Very low	26	Very low	149 Å²	149	149.6 Å²	149.6	80%	0.797	78%	0.781	S	S	*	*			trans	-48	118.8	150	-95.7	-21.8	0	0	0	109.3
163	Q	27.1	Very low	26.8	Very low	154 Å²	154	152.2 Å²	152.2	72%	0.72	78%	0.784	S	S	*	*			trans	-134.9	100.4	154.9	-84.2	-170.5	-20.9	0	0	108.9	K161 N165	K161-Q163 PolarHBondContact O-N 2.94Å; Q163-N165 PolarHBondContact O-N 2.92Å
164	N	23.2	Very low	27.8	Very low	159 Å²	159	149.9 Å²	149.9	85%	0.85	77%	0.765	S	S	*	*			trans	-44	105.9	151.3	-68.8	-27.1	0	0	0	108.7
165	N	23.7	Very low	28.9	Very low	121 Å²	121	147.7 Å²	147.7	65%	0.647	75%	0.752	S	S	*	*			trans	-140.4	79.5	169.2	-93.1	-29.4	0	0	0	109.6	Q163 K167	Q163-N165 PolarHBondContact O-N 2.92Å; N165-K167 PolarHBondContact O-N 2.92Å
166	L	25.5	Very low	30.1	Very low	176 Å²	176	148.5 Å²	148.5	92%	0.921	75%	0.751	S	S	*	*			trans	-52.7	95.1	139.4	-91.8	124.3	0	0	0	107.5
167	K	24.5	Very low	31.5	Very low	192 Å²	192	142.3 Å²	142.3	84%	0.835	72%	0.718	S	S	*	*			trans	152.2	90.8	157	-86.3	161.6	-177.2	178.6	0	110.9	N165	N165-K167 PolarHBondContact O-N 2.92Å
168	K	23.8	Very low	32.2	Very low	185 Å²	185	140.5 Å²	140.5	80%	0.804	71%	0.71	S	S	*	*			trans	170.3	80.1	138.1	-100.2	175.2	176	175.5	0	109.6	K170	K168-K170 PolarHBondContact O-N 3.46Å
169	L	26.3	Very low	33.1	Very low	177 Å²	177	138.7 Å²	138.7	93%	0.927	70%	0.699	S	S	*	*			trans	-88.1	70.3	149.6	-78.3	165.6	0	0	0	107.5
170	K	25.8	Very low	33.8	Very low	194 Å²	194	136.3 Å²	136.3	84%	0.843	69%	0.689	S	S	*	*			trans	-107.9	70.2	163.1	-85.3	-169.8	176.2	-175.9	0	107.7	K168	K168-K170 PolarHBondContact O-N 3.46Å
171	S	27.2	Very low	35.3	Very low	81 Å²	81	131.8 Å²	131.8	57%	0.566	67%	0.665	S	S	*	*			trans	-146.1	109.4	151.5	63.6	0	0	0	0	106.5	Y173	S171-Y173 PolarHBondContact O-N 3Å
172	T	32.5	Very low	36.8	Very low	112 Å²	112	124.6 Å²	124.6	69%	0.687	64%	0.636	S	S	*	*			trans	-69.3	66.4	173.8	47	0	0	0	0	109.5
173	Y	41.8	Very low	38.9	Very low	198 Å²	198	118.2 Å²	118.2	78%	0.776	61%	0.605	S	S	*	*			trans	-96.3	110.1	166.5	-107	-87.8	0	0	0	107.2	S171 P175	S171-Y173 PolarHBondContact O-N 3Å; Y173-P175 WeakPolarHBondContact O-CD 3.35Å
174	W	46.4	Very low	41.2	Very low	89 Å²	89	113.9 Å²	113.9	34%	0.337	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-69.8	123.8	176	-64.4	55.3	0	0	0	106.5	L176 L300 I302 L307	W174-L176 PolarHBondContact O-N 3.24Å; W174-L300 HydrophobicContact CD2-CB 4.42Å; W174-L300 HydrophobicContact CE3-CB 3.28Å; W174-L300 HydrophobicContact CE3-CD1 4.48Å; W174-L300 HydrophobicContact CE3-CG 4.44Å; W174-L300 HydrophobicContact CH2-CB 3.68Å; W174-L300 HydrophobicContact CH2-CD1 3.22Å; W174-L300 HydrophobicContact CH2-CG 4.03Å; W174-L300 HydrophobicContact CZ2-CD1 4.37Å; W174-L300 HydrophobicContact CZ3-CB 2.9Å; W174-L300 HydrophobicContact CZ3-CD1 3.34Å; W174-L300 HydrophobicContact CZ3-CD2 4.35Å; W174-L300 HydrophobicContact CZ3-CG 3.63Å; W174-I302 HydrophobicContact CB-CD1 3.72Å; W174-I302 HydrophobicContact CB-CG1 3.75Å; W174-I302 HydrophobicContact CG-CD1 4.37Å; W174-I302 HydrophobicContact CG-CG1 4.46Å; W174-L307 HydrophobicContact CD2-CD2 3.92Å; W174-L307 HydrophobicContact CE3-CD1 4.47Å; W174-L307 HydrophobicContact CE3-CD2 3.23Å; W174-L307 HydrophobicContact CE3-CG 4.33Å; W174-L307 HydrophobicContact CH2-CD1 3.68Å; W174-L307 HydrophobicContact CH2-CD2 4.01Å; W174-L307 HydrophobicContact CH2-CG 4.4Å; W174-L307 HydrophobicContact CZ3-CB 4.19Å; W174-L307 HydrophobicContact CZ3-CD1 3.58Å; W174-L307 HydrophobicContact CZ3-CD2 3.18Å; W174-L307 HydrophobicContact CZ3-CG 3.8Å
175	P	55.2	Low	43.9	Very low	74 Å²	74	108.7 Å²	108.7	48%	0.481	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-60.9	126.3	-174.6	10.9	-16.9	0	0	0	110.2	Y173 F301 I302	Y173-P175 WeakPolarHBondContact O-CD 3.35Å; P175-F301 HydrophobicContact CB-CD1 4.16Å; P175-F301 HydrophobicContact CB-CE1 4.45Å; P175-F301 HydrophobicContact CG-CD1 3.61Å; P175-F301 HydrophobicContact CG-CE1 3.73Å; P175-I302 PolarHBondContact O-N 3.04Å
176	L	49.3	Very low	46.2	Very low	134 Å²	134	107.3 Å²	107.3	70%	0.702	55%	0.554	S	S	*	*	B	Isolated β-bridge	trans	-71.8	128.4	172.9	-89.2	119.4	0	0	0	109.2	W174 I302	W174-L176 PolarHBondContact O-N 3.24Å; L176-I302 HydrophobicContact CD2-CG2 4.47Å
177	I	53	Low	48.1	Very low	15 Å²	15	99.4 Å²	99.4	8%	0.077	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-97.4	119.7	174.6	-66.8	169.2	0	0	0	108.4	I181 F261 F301 I302 I308 K310	I177-I181 HydrophobicContact CG2-CB 4.28Å; I177-I181 HydrophobicContact CG2-CD1 4.13Å; I177-F261 HydrophobicContact CD1-CE1 4.02Å; I177-F261 HydrophobicContact CD1-CZ 4.15Å; I177-F261 HydrophobicContact CG2-CE1 4.46Å; I177-F261 HydrophobicContact CG2-CE2 4.04Å; I177-F261 HydrophobicContact CG2-CZ 3.6Å; I177-F301 HydrophobicContact CD1-CB 3.33Å; I177-F301 HydrophobicContact CD1-CD1 3.63Å; I177-F301 HydrophobicContact CD1-CD2 4.23Å; I177-F301 HydrophobicContact CD1-CG 3.48Å; I177-F301 VanDerWaalsContact CD1-CG 3.48Å; I177-F301 HydrophobicContact CG1-CB 3.98Å; I177-F301 HydrophobicContact CG1-CD1 3.9Å; I177-F301 HydrophobicContact CG1-CG 4.18Å; I177-I302 PolarHBondContact N-O 3.24Å; I177-I308 HydrophobicContact CD1-CD1 3.91Å; I177-K310 HydrophobicContact CD1-CD 4.38Å; I177-K310 HydrophobicContact CD1-CG 4.27Å
178	N	43.7	Very low	49.5	Very low	124 Å²	124	97.3 Å²	97.3	66%	0.663	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-75.2	143.9	166.8	-123.9	-5	0	0	0	109.6	S180 I181	N178-S180 PolarHBondContact O-N 3.11Å; N178-I181 PolarHBondContact O-N 3.21Å
179	T	43	Very low	50.6	Low	85 Å²	85	91.8 Å²	91.8	52%	0.521	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-53.1	-21.3	-173.9	47.2	0	0	0	0	114.4	I181 L182 Y303	T179-I181 PolarHBondContact O-N 3.35Å; T179-I181 VanDerWaalsContact O-N 3.09Å; T179-L182 PolarHBondContact O-N 3.33Å; T179-Y303 HydrophobicContact CG2-CE2 3.81Å
180	S	42.4	Very low	51.1	Low	95 Å²	95	90 Å²	90	66%	0.664	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-62.3	-12.5	-178.7	61.3	0	0	0	0	115.9	N178	N178-S180 PolarHBondContact O-N 3.11Å
181	I	56.8	Low	52	Low	61 Å²	61	87.1 Å²	87.1	31%	0.313	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-88.2	-10	-177.4	-66.3	165.4	0	0	0	111.8	I177 N178 T179 T259	I177-I181 HydrophobicContact CG2-CB 4.28Å; I177-I181 HydrophobicContact CG2-CD1 4.13Å; N178-I181 PolarHBondContact O-N 3.21Å; T179-I181 PolarHBondContact O-N 3.35Å; T179-I181 VanDerWaalsContact O-N 3.09Å; I181-T259 HydrophobicContact CG2-CG2 4.15Å; I181-T259 WeakPolarHBondContact O-CB 3.45Å
182	L	58.3	Low	52.5	Low	42 Å²	42	88.6 Å²	88.6	22%	0.22	47%	0.472	C	S	.	.	S	Bend	trans	-75.9	131.3	179.1	-77.2	170.2	0	0	0	111.4	T179 F261 Y303 C340	T179-L182 PolarHBondContact O-N 3.33Å; L182-F261 HydrophobicContact CD1-CD2 4.01Å; L182-F261 HydrophobicContact CD1-CE2 3.64Å; L182-F261 HydrophobicContact CD2-CD1 4.34Å; L182-F261 HydrophobicContact CD2-CD2 3.36Å; L182-F261 HydrophobicContact CD2-CE1 4.11Å; L182-F261 HydrophobicContact CD2-CE2 3.12Å; L182-F261 HydrophobicContact CD2-CG 3.96Å; L182-F261 HydrophobicContact CD2-CZ 3.49Å; L182-F261 VanDerWaalsContact CD2-CZ 3.49Å; L182-F261 HydrophobicContact CG-CD2 3.95Å; L182-F261 HydrophobicContact CG-CE2 3.33Å; L182-F261 HydrophobicContact CG-CZ 3.81Å; L182-Y303 HydrophobicContact CD1-CE2 4.47Å; L182-C340 VanDerWaalsContact CB-SG 3.55Å; L182-C340 WeakPolarHBondContact CD2-SG 3.34Å
183	G	68.5	Low	53.4	Low	15 Å²	15	86 Å²	86	16%	0.155	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	107.9	-159.1	179.4	0	0	0	0	0	114.5	Y258 T259	G183-Y258 WeakPolarHBondContact O-CA 3.19Å; G183-T259 PolarHBondContact N-O 2.87Å; G183-T259 PolarHBondContact O-N 2.95Å
184	F	75.4	Confident	53.5	Low	63 Å²	63	85.1 Å²	85.1	28%	0.276	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	125.7	-177.8	-71.4	-81.5	0	0	0	111.2	L256 R257 Y258 K318 I321 P343	F184-L256 HydrophobicContact CD1-CB 4.43Å; F184-R257 CarbonylContact C-O 3.58Å; F184-R257 WeakPolarHBondContact CA-O 3.48Å; F184-Y258 HydrophobicContact CD1-CD2 4.26Å; F184-Y258 AromaticContact CD2-CD2 3.99Å; F184-Y258 HydrophobicContact CD2-CD2 3.99Å; F184-Y258 HydrophobicContact CD2-CE2 4.44Å; F184-Y258 HydrophobicContact CE1-CD2 4.21Å; F184-Y258 HydrophobicContact CE1-CG 4.32Å; F184-Y258 AromaticContact CE2-CD2 3.93Å; F184-Y258 HydrophobicContact CE2-CD2 3.93Å; F184-Y258 HydrophobicContact CE2-CE2 4.26Å; F184-Y258 HydrophobicContact CG-CD2 4.16Å; F184-Y258 HydrophobicContact CZ-CD2 4.05Å; F184-Y258 HydrophobicContact CZ-CG 4.37Å; F184-K318 HydrophobicContact CD1-CG 3.96Å; F184-K318 HydrophobicContact CD2-CD 4.38Å; F184-K318 HydrophobicContact CD2-CG 4.49Å; F184-K318 HydrophobicContact CE1-CB 4.13Å; F184-K318 HydrophobicContact CE1-CG 3.87Å; F184-K318 HydrophobicContact CE2-CD 4.43Å; F184-K318 HydrophobicContact CE2-CG 4.41Å; F184-K318 HydrophobicContact CG-CD 4.49Å; F184-K318 HydrophobicContact CG-CG 4.26Å; F184-K318 HydrophobicContact CZ-CB 4.17Å; F184-K318 HydrophobicContact CZ-CG 4.11Å; F184-I321 HydrophobicContact CD1-CD1 4.17Å; F184-I321 HydrophobicContact CE1-CB 3.93Å; F184-I321 HydrophobicContact CE1-CD1 3.83Å; F184-I321 HydrophobicContact CE1-CG1 4.5Å; F184-I321 HydrophobicContact CE1-CG2 3.67Å; F184-I321 HydrophobicContact CZ-CG2 4.17Å; F184-P343 HydrophobicContact CE2-CB 3.99Å; F184-P343 HydrophobicContact CZ-CB 4.34Å
185	T	78.2	Confident	53.9	Low	50 Å²	50	82.3 Å²	82.3	31%	0.307	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142.8	176.1	52.5	0	0	0	0	109.2	L256 R257	T185-L256 CarbonylContact O-C 3.57Å; T185-L256 WeakPolarHBondContact O-CA 3.28Å; T185-R257 PolarHBondContact N-O 2.68Å; T185-R257 PolarHBondContact O-N 3.01Å; T185-R257 WeakPolarHBondContact OG1-CB 3.46Å; T185-R257 PolarHBondContact OG1-O 2.93Å
186	V	73.8	Confident	53.9	Low	91 Å²	91	85.3 Å²	85.3	55%	0.552	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	127.9	175.9	-177.5	0	0	0	0	108.7	K188 L256	V186-K188 PolarHBondContact O-N 3.23Å; V186-K188 VanDerWaalsContact O-N 3.12Å; V186-L256 HydrophobicContact CB-CD2 4.42Å; V186-L256 HydrophobicContact CG2-CD2 3.76Å
187	L	64.3	Low	54.8	Low	11 Å²	11	80 Å²	80	6%	0.058	42%	0.424	C	S	.	.			trans	-71.4	105.5	171.7	-74.9	163.7	0	0	0	109.1	L251 W255 R257 D314	L187-L251 HydrophobicContact CD1-CD2 4.19Å; L187-L251 HydrophobicContact CD2-CD2 4.23Å; L187-W255 VanDerWaalsContact CB-O 3.3Å; L187-W255 WeakPolarHBondContact CB-O 3.02Å; L187-W255 HydrophobicContact CD1-CB 3.73Å; L187-W255 PolarHBondContact N-O 2.7Å; L187-R257 HydrophobicContact CD1-CB 4.29Å; L187-R257 HydrophobicContact CD2-CB 4.2Å; L187-R257 HydrophobicContact CG-CB 3.95Å; L187-D314 HydrophobicContact CD1-CB 4.08Å
188	K	54.4	Low	55.2	Low	147 Å²	147	80.9 Å²	80.9	64%	0.639	43%	0.427	S	S	*	.			trans	-83.7	133	168.9	-62.9	-174.2	179.4	-178	0	108.2	V186 N190 M191	V186-K188 PolarHBondContact O-N 3.23Å; V186-K188 VanDerWaalsContact O-N 3.12Å; K188-N190 PolarHBondContact O-N 3.31Å; K188-M191 PolarHBondContact O-N 3.26Å
189	S	46	Very low	55.7	Low	70 Å²	70	78.6 Å²	78.6	49%	0.49	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-27	177.5	48.6	0	0	0	0	113.8
190	N	37.3	Very low	56	Low	140 Å²	140	76.2 Å²	76.2	75%	0.749	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-4.5	-174.1	-53.6	7.7	0	0	0	112.9	K188 L192	K188-N190 PolarHBondContact O-N 3.31Å; N190-L192 VanDerWaalsContact C-N 3.33Å; N190-L192 PolarHBondContact O-N 3.44Å
191	M	44.1	Very low	55.9	Low	132 Å²	132	74.9 Å²	74.9	65%	0.65	38%	0.38	S	S	*	.			trans	-78.4	88.9	170	-75.2	-149.1	160	0	0	108.9	K188 N193	K188-M191 PolarHBondContact O-N 3.26Å; M191-N193 PolarHBondContact O-N 2.72Å
192	L	37.6	Very low	54.8	Low	113 Å²	113	78.1 Å²	78.1	59%	0.592	39%	0.393	S	S	*	.			trans	-44	117.9	159.6	-87.7	156.3	0	0	0	107.5	N190 F194	N190-L192 VanDerWaalsContact C-N 3.33Å; N190-L192 PolarHBondContact O-N 3.44Å; L192-F194 HydrophobicContact CB-CD1 4.31Å; L192-F194 HydrophobicContact CB-CD2 4.15Å; L192-F194 HydrophobicContact CB-CE1 3.82Å; L192-F194 HydrophobicContact CB-CE2 3.63Å; L192-F194 HydrophobicContact CB-CG 4.46Å; L192-F194 HydrophobicContact CB-CZ 3.45Å; L192-F194 VanDerWaalsContact CB-CZ 3.45Å; L192-F194 HydrophobicContact CD1-CE1 4.17Å; L192-F194 HydrophobicContact CD1-CZ 3.85Å; L192-F194 HydrophobicContact CG-CZ 4.29Å; L192-F194 WeakPolarHBondContact O-CD2 3.41Å; L192-F194 WeakPolarHBondContact O-CE2 3.42Å; L192-F194 PolarHBondContact O-N 2.87Å
193	N	50.9	Low	53.5	Low	57 Å²	57	83.7 Å²	83.7	31%	0.305	42%	0.423	S	S	.	.			trans	-76.3	76.5	-177	-145.1	7.1	0	0	0	106.8	M191 I195 W197 L251 R257	M191-N193 PolarHBondContact O-N 2.72Å; N193-I195 PolarHBondContact O-N 2.81Å; N193-W197 VanDerWaalsContact CG-NE1 3.33Å; N193-W197 PolarHBondContact ND2-NE1 2.88Å; N193-W197 PolarHBondContact OD1-NE1 3.2Å; N193-L251 HydrophobicContact CB-CD1 4.11Å; N193-R257 PolarHBondContact OD1-NH1 2.73Å
194	F	45.1	Very low	51.5	Low	180 Å²	180	88.8 Å²	88.8	79%	0.789	44%	0.443	S	S	*	.			trans	-63.4	1.7	-178.7	-62	-73.2	0	0	0	113.9	L192	L192-F194 HydrophobicContact CB-CD1 4.31Å; L192-F194 HydrophobicContact CB-CD2 4.15Å; L192-F194 HydrophobicContact CB-CE1 3.82Å; L192-F194 HydrophobicContact CB-CE2 3.63Å; L192-F194 HydrophobicContact CB-CG 4.46Å; L192-F194 HydrophobicContact CB-CZ 3.45Å; L192-F194 VanDerWaalsContact CB-CZ 3.45Å; L192-F194 HydrophobicContact CD1-CE1 4.17Å; L192-F194 HydrophobicContact CD1-CZ 3.85Å; L192-F194 HydrophobicContact CG-CZ 4.29Å; L192-F194 WeakPolarHBondContact O-CD2 3.41Å; L192-F194 WeakPolarHBondContact O-CE2 3.42Å; L192-F194 PolarHBondContact O-N 2.87Å
195	I	55.4	Low	49.1	Very low	30 Å²	30	93.1 Å²	93.1	15%	0.154	47%	0.467	C	S	.	.	S	Bend	trans	-102.7	111.6	-177.1	-57.1	-178.8	0	0	0	105.8	N193 W197 F301 K310	N193-I195 PolarHBondContact O-N 2.81Å; I195-W197 HydrophobicContact CB-CH2 4.49Å; I195-W197 HydrophobicContact CB-CZ2 3.87Å; I195-W197 HydrophobicContact CD1-CH2 4.44Å; I195-W197 HydrophobicContact CD1-CZ2 4.25Å; I195-W197 HydrophobicContact CG2-CD2 4.11Å; I195-W197 HydrophobicContact CG2-CE3 4.26Å; I195-W197 HydrophobicContact CG2-CH2 3.96Å; I195-W197 HydrophobicContact CG2-CZ2 3.76Å; I195-W197 HydrophobicContact CG2-CZ3 4.21Å; I195-W197 PolarHBondContact O-N 3.2Å; I195-W197 PolarHBondContact O-NE1 2.99Å; I195-F301 HydrophobicContact CD1-CZ 3.93Å; I195-F301 HydrophobicContact CG1-CZ 4.12Å; I195-F301 HydrophobicContact CG2-CZ 4.31Å; I195-K310 HydrophobicContact CD1-CD 3.85Å
196	E	55	Low	46.8	Very low	137 Å²	137	94.5 Å²	94.5	64%	0.64	47%	0.468	S	S	*	.			trans	-62.1	130.5	165	-75.3	-177.9	180	0	0	108.7	S297 K298	E196-S297 CarbonylContact O-C 3.51Å; E196-S297 WeakPolarHBondContact O-CA 3.37Å; E196-K298 HydrophobicContact CB-CB 3.88Å; E196-K298 HydrophobicContact CB-CD 4.01Å; E196-K298 HydrophobicContact CB-CG 4.1Å; E196-K298 PolarHBondContact O-N 3.34Å
197	W	67.3	Low	44.5	Very low	23 Å²	23	94.5 Å²	94.5	9%	0.087	47%	0.472	C	S	.	.	B	Isolated β-bridge	trans	-106	146.7	178.1	-58.8	98.1	0	0	0	109.2	N193 I195 Q199 L295 I296 K298 K310 V312	N193-W197 VanDerWaalsContact CG-NE1 3.33Å; N193-W197 PolarHBondContact ND2-NE1 2.88Å; N193-W197 PolarHBondContact OD1-NE1 3.2Å; I195-W197 HydrophobicContact CB-CH2 4.49Å; I195-W197 HydrophobicContact CB-CZ2 3.87Å; I195-W197 HydrophobicContact CD1-CH2 4.44Å; I195-W197 HydrophobicContact CD1-CZ2 4.25Å; I195-W197 HydrophobicContact CG2-CD2 4.11Å; I195-W197 HydrophobicContact CG2-CE3 4.26Å; I195-W197 HydrophobicContact CG2-CH2 3.96Å; I195-W197 HydrophobicContact CG2-CZ2 3.76Å; I195-W197 HydrophobicContact CG2-CZ3 4.21Å; I195-W197 PolarHBondContact O-N 3.2Å; I195-W197 PolarHBondContact O-NE1 2.99Å; W197-Q199 VanDerWaalsContact C-N 3.29Å; W197-Q199 PolarHBondContact O-N 3.39Å; W197-L295 HydrophobicContact CB-CD2 4.16Å; W197-L295 HydrophobicContact CD2-CB 3.74Å; W197-L295 HydrophobicContact CD2-CD1 4.13Å; W197-L295 HydrophobicContact CD2-CG 4.38Å; W197-L295 HydrophobicContact CE3-CB 3.38Å; W197-L295 HydrophobicContact CE3-CG 4.47Å; W197-L295 HydrophobicContact CG-CB 4.25Å; W197-L295 HydrophobicContact CG-CD1 4.35Å; W197-L295 HydrophobicContact CG-CD2 4.21Å; W197-L295 HydrophobicContact CZ3-CB 3.8Å; W197-I296 CarbonylContact C-O 3.47Å; W197-I296 WeakPolarHBondContact CA-O 3.25Å; W197-K298 WeakPolarHBondContact O-CE 3.32Å; W197-K310 HydrophobicContact CH2-CB 4.5Å; W197-K310 HydrophobicContact CZ3-CB 4.43Å; W197-V312 HydrophobicContact CH2-CB 3.98Å; W197-V312 HydrophobicContact CH2-CG2 3.51Å; W197-V312 HydrophobicContact CZ3-CB 4.08Å; W197-V312 HydrophobicContact CZ3-CG2 3.86Å
198	F	60.8	Low	42.7	Very low	33 Å²	33	101.3 Å²	101.3	15%	0.145	51%	0.508	C	S	.	.			trans	-64	99	162.2	-75.2	-73	0	0	0	107.6	L273 F276 I296 K298	F198-L273 HydrophobicContact CD2-CD2 4.07Å; F198-L273 HydrophobicContact CE1-CD2 4.04Å; F198-L273 HydrophobicContact CE2-CD2 3.41Å; F198-L273 VanDerWaalsContact CE2-CD2 3.41Å; F198-L273 HydrophobicContact CZ-CD1 4.05Å; F198-L273 HydrophobicContact CZ-CD2 3.4Å; F198-L273 VanDerWaalsContact CZ-CD2 3.4Å; F198-L273 HydrophobicContact CZ-CG 4.39Å; F198-F276 HydrophobicContact CB-CE1 3.89Å; F198-I296 HydrophobicContact CD2-CB 4.18Å; F198-I296 HydrophobicContact CD2-CG2 4.02Å; F198-I296 PolarHBondContact N-O 2.96Å; F198-K298 HydrophobicContact CD1-CG 4.01Å; F198-K298 HydrophobicContact CD2-CG 4.2Å; F198-K298 HydrophobicContact CE1-CG 4.09Å; F198-K298 HydrophobicContact CE2-CB 4.5Å; F198-K298 HydrophobicContact CE2-CG 4.29Å; F198-K298 HydrophobicContact CG-CG 4.07Å; F198-K298 HydrophobicContact CZ-CG 4.23Å
199	Q	54.2	Low	41.3	Very low	76 Å²	76	98.8 Å²	98.8	36%	0.355	50%	0.5	S	S	.	.			trans	-86.1	133	167.4	-83.3	-174.7	-19.4	0	0	108.5	W197 N201	W197-Q199 VanDerWaalsContact C-N 3.29Å; W197-Q199 PolarHBondContact O-N 3.39Å; Q199-N201 PolarHBondContact O-N 2.89Å
200	Y	50	Low	40.4	Very low	35 Å²	35	100 Å²	100	14%	0.137	50%	0.501	C	S	.	.	S	Bend	trans	-66.2	-19.2	177.2	-70.8	-65.2	0	0	0	113.3	F276 K280 L283	Y200-F276 HydrophobicContact CE1-CD1 4.12Å; Y200-F276 AromaticContact CE1-CE1 3.61Å; Y200-F276 HydrophobicContact CE1-CE1 3.61Å; Y200-F276 AromaticContact CE1-CZ 3.87Å; Y200-F276 HydrophobicContact CE1-CZ 3.87Å; Y200-F276 HydrophobicContact CE2-CZ 4.17Å; Y200-F276 AromaticContact CZ-CE1 3.67Å; Y200-F276 AromaticContact CZ-CE2 3.97Å; Y200-F276 AromaticContact CZ-CZ 3.4Å; Y200-F276 VanDerWaalsContact CZ-CZ 3.4Å; Y200-F276 WeakPolarHBondContact OH-CE1 3.49Å; Y200-F276 WeakPolarHBondContact OH-CE2 3.5Å; Y200-F276 WeakPolarHBondContact OH-CZ 2.95Å; Y200-K280 HydrophobicContact CD1-CB 3.47Å; Y200-K280 VanDerWaalsContact CD1-CB 3.47Å; Y200-K280 HydrophobicContact CD1-CD 3.69Å; Y200-K280 HydrophobicContact CD1-CG 3.33Å; Y200-K280 HydrophobicContact CE1-CB 3.63Å; Y200-K280 HydrophobicContact CE1-CG 3.96Å; Y200-K280 HydrophobicContact CG-CB 4.32Å; Y200-K280 HydrophobicContact CG-CD 4.01Å; Y200-K280 HydrophobicContact CG-CG 3.7Å; Y200-K280 WeakPolarHBondContact O-CE 3.48Å; Y200-K280 PolarHBondContact O-NZ 3.16Å; Y200-L283 HydrophobicContact CE2-CB 4.38Å; Y200-L283 WeakPolarHBondContact OH-CB 3.48Å; Y200-L283 WeakPolarHBondContact OH-CD1 3.48Å
201	N	40.9	Very low	40	Very low	67 Å²	67	97.3 Å²	97.3	36%	0.358	49%	0.489	S	S	.	.			trans	-121	92.2	-175.7	-58.6	-13.7	0	0	0	107.7	Q199 Y206 K280	Q199-N201 PolarHBondContact O-N 2.89Å; N201-Y206 VanDerWaalsContact ND2-CE2 3.34Å; N201-Y206 WeakPolarHBondContact ND2-CE2 3.49Å; N201-Y206 VanDerWaalsContact OD1-CE2 3.25Å; N201-Y206 WeakPolarHBondContact OD1-CE2 3.34Å; N201-K280 PolarHBondContact OD1-NZ 2.76Å
202	E	34	Very low	39.3	Very low	128 Å²	128	97 Å²	97	60%	0.598	49%	0.49	S	S	*	.	S	Bend	trans	-93.9	-14.6	156.1	-80.1	-179.2	-179.5	0	0	111.8	K298	E202-K298 IonicContact OE1-NZ 3.88Å; E202-K298 PolarHBondContact OE1-NZ 3.42Å; E202-K298 IonicContact OE2-NZ 3.52Å
203	D	30	Very low	38.9	Very low	160 Å²	160	99.5 Å²	99.5	86%	0.856	50%	0.499	S	S	*	.	S	Bend	trans	-149.6	13.9	-178	-71.6	-58.8	0	0	0	118.3
204	E	26.3	Very low	37.9	Very low	121 Å²	121	102.6 Å²	102.6	57%	0.565	52%	0.515	S	S	*	.			trans	-121.4	98.8	176.8	-73.6	-176.5	161.8	0	0	111.4	Y206	E204-Y206 PolarHBondContact O-N 2.95Å
205	I	24.6	Very low	37	Very low	154 Å²	154	97.4 Å²	97.4	79%	0.79	50%	0.501	S	S	*	.			trans	-56.7	109.5	157.2	-61.2	171.5	0	0	0	105.7	S207	I205-S207 PolarHBondContact O-N 2.81Å; I205-S207 PolarHBondContact O-OG 3.46Å
206	Y	31.5	Very low	35.6	Very low	80 Å²	80	104.5 Å²	104.5	31%	0.314	54%	0.535	S	S	.	.			trans	-67.6	73	170	-77	-76.6	0	0	0	109.4	N201 E204 M209 K280	N201-Y206 VanDerWaalsContact ND2-CE2 3.34Å; N201-Y206 WeakPolarHBondContact ND2-CE2 3.49Å; N201-Y206 VanDerWaalsContact OD1-CE2 3.25Å; N201-Y206 WeakPolarHBondContact OD1-CE2 3.34Å; E204-Y206 PolarHBondContact O-N 2.95Å; Y206-M209 HydrophobicContact CE1-CE 4.14Å; Y206-K280 WeakPolarHBondContact OH-CE 3.36Å; Y206-K280 PolarHBondContact OH-NZ 2.97Å
207	S	25.1	Very low	34.3	Very low	91 Å²	91	108.2 Å²	108.2	64%	0.636	55%	0.55	S	S	*	.			trans	-85.1	-16.4	176.5	44.6	0	0	0	0	113.2	I205	I205-S207 PolarHBondContact O-N 2.81Å; I205-S207 PolarHBondContact O-OG 3.46Å
208	N	25.3	Very low	32.4	Very low	153 Å²	153	109.5 Å²	109.5	82%	0.818	57%	0.57	S	S	*	*			trans	-131.7	22.9	-169	-74.1	-3	0	0	0	116.7	D210	N208-D210 PolarHBondContact O-N 2.89Å
209	M	26.4	Very low	30.7	Very low	95 Å²	95	118.2 Å²	118.2	47%	0.468	61%	0.608	S	S	.	*			trans	-85.3	109.2	160.6	-86.2	-157.6	-157.3	0	0	109	Y206 V211 L214 Y281	Y206-M209 HydrophobicContact CE1-CE 4.14Å; M209-V211 PolarHBondContact O-N 2.75Å; M209-L214 HydrophobicContact SD-CD1 3.97Å; M209-Y281 HydrophobicContact CE-CD1 4.45Å; M209-Y281 HydrophobicContact CE-CE1 4.21Å
210	D	25.8	Very low	29.5	Very low	95 Å²	95	120.9 Å²	120.9	51%	0.508	62%	0.62	S	S	.	*			trans	-63.6	98.7	172.6	-158.3	-6.7	0	0	0	108.5	N208 N212 Q213	N208-D210 PolarHBondContact O-N 2.89Å; D210-N212 PolarHBondContact O-N 3.29Å; D210-N212 PolarHBondContact OD1-ND2 2.92Å; D210-Q213 PolarHBondContact O-N 3.06Å
211	V	30.6	Very low	28.5	Very low	83 Å²	83	126.7 Å²	126.7	50%	0.503	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	-53.7	-20.1	-175	176.1	0	0	0	0	112	M209 Q213	M209-V211 PolarHBondContact O-N 2.75Å; V211-Q213 VanDerWaalsContact C-N 3.34Å; V211-Q213 PolarHBondContact O-N 3.18Å
212	N	28.8	Very low	27.8	Very low	127 Å²	127	132.3 Å²	132.3	68%	0.679	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-25.4	176.2	-62.7	-36.9	0	0	0	113.7	D210	D210-N212 PolarHBondContact O-N 3.29Å; D210-N212 PolarHBondContact OD1-ND2 2.92Å
213	Q	29.8	Very low	27.5	Very low	164 Å²	164	130.7 Å²	130.7	77%	0.766	67%	0.665	S	S	*	*	S	Bend	trans	-82.8	-20.4	-179.4	-67.9	-171.7	1.5	0	0	114	D210 V211	D210-Q213 PolarHBondContact O-N 3.06Å; V211-Q213 VanDerWaalsContact C-N 3.34Å; V211-Q213 PolarHBondContact O-N 3.18Å
214	L	30	Very low	27.2	Very low	122 Å²	122	129.7 Å²	129.7	64%	0.639	66%	0.66	S	S	*	*	S	Bend	trans	-94.9	0.6	175.1	-79.6	157.3	0	0	0	113.1	M209 M216	M209-L214 HydrophobicContact SD-CD1 3.97Å; L214-M216 PolarHBondContact O-N 2.98Å
215	S	26.4	Very low	27.4	Very low	71 Å²	71	132.9 Å²	132.9	50%	0.497	67%	0.668	S	S	.	*			trans	-76.6	61.9	175.1	169.7	0	0	0	0	111.6	K217	S215-K217 PolarHBondContact O-N 2.87Å; S215-K217 VanDerWaalsContact O-N 3.17Å
216	M	25.9	Very low	27.3	Very low	179 Å²	179	131.8 Å²	131.8	88%	0.882	66%	0.663	S	S	*	*	S	Bend	trans	-78.6	92.5	158.8	-76.8	-121.4	176.5	0	0	108.7	L214 G218	L214-M216 PolarHBondContact O-N 2.98Å; M216-G218 VanDerWaalsContact C-N 3.35Å; M216-G218 PolarHBondContact O-N 3.02Å
217	K	27.4	Very low	26.9	Very low	216 Å²	216	133.8 Å²	133.8	94%	0.939	68%	0.679	S	S	*	*	S	Bend	trans	37.5	51.6	160	-75.7	-178.6	173.6	176.5	0	116.5	S215	S215-K217 PolarHBondContact O-N 2.87Å; S215-K217 VanDerWaalsContact O-N 3.17Å
218	G	26.2	Very low	27	Very low	50 Å²	50	138 Å²	138	52%	0.515	69%	0.686	S	S	.	*			trans	-130.5	119.3	162.4	0	0	0	0	0	108.1	M216 Q220	M216-G218 VanDerWaalsContact C-N 3.35Å; M216-G218 PolarHBondContact O-N 3.02Å; G218-Q220 PolarHBondContact O-N 3.31Å
219	K	26.4	Very low	27.1	Very low	215 Å²	215	135.5 Å²	135.5	94%	0.935	68%	0.677	S	S	*	*			trans	-48.1	108.2	171.8	-82.3	176.9	174.2	176.8	0	107.7	M221	K219-M221 PolarHBondContact O-N 2.77Å
220	Q	27.7	Very low	27	Very low	132 Å²	132	137.5 Å²	137.5	62%	0.617	69%	0.689	S	S	*	*			trans	-57.1	110.9	174.4	-78.2	-176.4	-0.7	0	0	107.5	G218 K222	G218-Q220 PolarHBondContact O-N 3.31Å; Q220-K222 PolarHBondContact O-N 3.37Å
221	M	28.9	Very low	27	Very low	157 Å²	157	139 Å²	139	77%	0.773	70%	0.696	S	S	*	*			trans	-70.3	103.6	169.6	-150	164	-175	0	0	104.9	K219 M223	K219-M221 PolarHBondContact O-N 2.77Å; M221-M223 PolarHBondContact O-N 3.24Å
222	K	26	Very low	26.7	Very low	186 Å²	186	144.6 Å²	144.6	81%	0.809	71%	0.709	S	S	*	*			trans	-51	106.6	173.4	-101	179.1	173.2	177.4	0	107.7	Q220 N224	Q220-K222 PolarHBondContact O-N 3.37Å; K222-N224 VanDerWaalsContact C-N 3.26Å; K222-N224 PolarHBondContact O-N 3.24Å
223	M	29.3	Very low	26.5	Very low	93 Å²	93	144.3 Å²	144.3	46%	0.458	71%	0.712	S	S	.	*			trans	-67.2	95.4	163	-78.3	-64.3	-138.2	0	0	106.2	M221 Y225 W255 G291	M221-M223 PolarHBondContact O-N 3.24Å; M223-Y225 HydrophobicContact CB-CD2 4.17Å; M223-Y225 HydrophobicContact CB-CE2 3.92Å; M223-Y225 PolarHBondContact O-N 3.46Å; M223-W255 HydrophobicContact CE-CH2 3.54Å; M223-W255 HydrophobicContact CE-CZ2 3.61Å; M223-W255 HydrophobicContact SD-CZ2 4.37Å; M223-G291 WeakPolarHBondContact CE-O 3.24Å
224	N	23.3	Very low	26.3	Very low	140 Å²	140	144.3 Å²	144.3	75%	0.749	72%	0.718	S	S	*	*			trans	-68.1	84.7	164.1	-75.2	-8.7	0	0	0	106.6	K222 L226	K222-N224 VanDerWaalsContact C-N 3.26Å; K222-N224 PolarHBondContact O-N 3.24Å; N224-L226 VanDerWaalsContact C-N 3.35Å; N224-L226 PolarHBondContact O-N 3.25Å
225	Y	29.6	Very low	26.1	Very low	187 Å²	187	145 Å²	145	73%	0.733	73%	0.727	S	S	*	*			trans	-55.9	112.3	149.3	-69.2	-81.5	0	0	0	104.7	M223 N227	M223-Y225 HydrophobicContact CB-CD2 4.17Å; M223-Y225 HydrophobicContact CB-CE2 3.92Å; M223-Y225 PolarHBondContact O-N 3.46Å; Y225-N227 VanDerWaalsContact C-N 3.3Å; Y225-N227 PolarHBondContact O-N 3.16Å
226	L	23.7	Very low	25.9	Very low	132 Å²	132	148.5 Å²	148.5	69%	0.691	74%	0.74	S	S	*	*			trans	-58.5	103.2	176.2	-124.8	142.6	0	0	0	105.9	N224 K228 I231	N224-L226 VanDerWaalsContact C-N 3.35Å; N224-L226 PolarHBondContact O-N 3.25Å; L226-K228 PolarHBondContact O-N 2.83Å; L226-I231 HydrophobicContact CD2-CD1 3.75Å; L226-I231 HydrophobicContact CD2-CG1 4.03Å
227	N	22.7	Very low	26	Very low	122 Å²	122	147.1 Å²	147.1	65%	0.652	74%	0.735	S	S	*	*			trans	-50.5	131.3	172.8	-87.5	-18.5	0	0	0	107.2	Y225 T229	Y225-N227 VanDerWaalsContact C-N 3.3Å; Y225-N227 PolarHBondContact O-N 3.16Å; N227-T229 PolarHBondContact O-N 3.5Å
228	K	28.1	Very low	26	Very low	178 Å²	178	142.9 Å²	142.9	77%	0.774	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	18.6	-179.2	-143.4	173.8	-175.6	177.3	0	113.4	L226	L226-K228 PolarHBondContact O-N 2.83Å
229	T	26	Very low	25.8	Very low	101 Å²	101	147.2 Å²	147.2	62%	0.62	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.4	-7.5	-170	51.5	0	0	0	0	115.1	N227	N227-T229 PolarHBondContact O-N 3.5Å
230	N	23.9	Very low	25.7	Very low	137 Å²	137	144.2 Å²	144.2	73%	0.733	73%	0.732	S	S	*	*	S	Bend	trans	-120.4	15	-177.4	-77	-4.5	0	0	0	116.2
231	I	27.3	Very low	25.5	Very low	128 Å²	128	145.8 Å²	145.8	66%	0.656	75%	0.745	S	S	*	*	S	Bend	trans	-121.2	57.1	165.3	-48.7	178	0	0	0	108.4	L226	L226-I231 HydrophobicContact CD2-CD1 3.75Å; L226-I231 HydrophobicContact CD2-CG1 4.03Å
232	Y	24.5	Very low	25.4	Very low	199 Å²	199	142.7 Å²	142.7	78%	0.78	74%	0.739	S	S	*	*			trans	-134.1	53.2	163	-84.7	-77.3	0	0	0	108.3
233	T	24.4	Very low	25.2	Very low	121 Å²	121	141.5 Å²	141.5	74%	0.742	74%	0.741	S	S	*	*	S	Bend	trans	-132.1	118.6	160.4	47.3	0	0	0	0	105.7
234	N	24.5	Very low	25	Very low	165 Å²	165	142.7 Å²	142.7	88%	0.882	75%	0.749	S	S	*	*	S	Bend	trans	83.1	39.6	-176.7	-59.8	-14.8	0	0	0	119.8
235	V	26.3	Very low	25	Very low	136 Å²	136	143.2 Å²	143.2	82%	0.824	75%	0.752	S	S	*	*			trans	-129.7	97.3	141.3	-174.2	0	0	0	0	108.3
236	N	23	Very low	24.8	Very low	144 Å²	144	139.4 Å²	139.4	77%	0.77	75%	0.745	S	S	*	*			trans	-58.5	142.6	165.5	-99.4	-11.7	0	0	0	109.7
237	I	26.7	Very low	25.1	Very low	151 Å²	151	140.4 Å²	140.4	77%	0.774	75%	0.751	S	S	*	*			trans	98.9	98.1	149.9	-62	156	0	0	0	117.4
238	V	27	Very low	25.7	Very low	126 Å²	126	140.1 Å²	140.1	76%	0.764	75%	0.749	S	S	*	*			trans	103	100.9	130.8	178.5	0	0	0	0	118.8
239	N	22.3	Very low	26.3	Very low	142 Å²	142	136.2 Å²	136.2	76%	0.759	74%	0.736	S	S	*	*			trans	-18.7	126.8	144.8	-80.9	-13.7	0	0	0	114.5
240	N	24.7	Very low	27.2	Very low	151 Å²	151	138 Å²	138	81%	0.807	74%	0.741	S	S	*	*				-161.3	131.4	110.5	-92.3	-23.7	0	0	0	111.1	S242	N240-S242 PolarHBondContact O-N 3.38Å
241	N	24	Very low	28.6	Very low	165 Å²	165	132.8 Å²	132.8	88%	0.882	71%	0.713	S	S	*	*			trans	-23.4	110.1	165.8	-64.9	-25.7	0	0	0	114.8
242	S	25.3	Very low	30	Very low	93 Å²	93	129.2 Å²	129.2	65%	0.65	70%	0.697	S	S	*	*			trans	-142.3	101.7	144.6	74.3	0	0	0	0	109.4	N240 N244	N240-S242 PolarHBondContact O-N 3.38Å; S242-N244 PolarHBondContact O-N 2.91Å
243	N	23.2	Very low	31.8	Very low	160 Å²	160	126.4 Å²	126.4	86%	0.856	69%	0.694	S	S	*	*			trans	-63.2	81	158	-79.8	-13.8	0	0	0	108.1
244	N	23.6	Very low	34.1	Very low	118 Å²	118	122.8 Å²	122.8	63%	0.631	68%	0.682	S	S	*	*			trans	-110.4	95.4	159.8	-80.7	-12.8	0	0	0	106.1	S242 N246	S242-N244 PolarHBondContact O-N 2.91Å; N244-N246 PolarHBondContact O-N 3.31Å
245	N	24.1	Very low	37	Very low	151 Å²	151	116.6 Å²	116.6	81%	0.807	65%	0.646	S	S	*	*			trans	-66.5	68.2	161	-69.3	-13.4	0	0	0	108.1
246	N	26	Very low	40	Very low	108 Å²	108	111.6 Å²	111.6	58%	0.578	61%	0.614	S	S	*	*			trans	-92.9	108.4	154.7	-69.7	-10.2	0	0	0	103.9	N244 D248	N244-N246 PolarHBondContact O-N 3.31Å; N246-D248 PolarHBondContact O-N 3.27Å
247	D	30.3	Very low	43	Very low	153 Å²	153	106 Å²	106	82%	0.818	58%	0.582	S	S	*	*			trans	-64.2	67.8	162	-69.8	-39.1	0	0	0	107.9	I249	D247-I249 PolarHBondContact O-N 3.06Å
248	D	33.6	Very low	45.8	Very low	115 Å²	115	99.1 Å²	99.1	62%	0.615	55%	0.547	S	S	*	.			trans	-64	98.6	166	-76.9	-21.4	0	0	0	104.5	N246 L250	N246-D248 PolarHBondContact O-N 3.27Å; D248-L250 PolarHBondContact O-N 3.38Å
249	I	41.2	Very low	48.5	Very low	97 Å²	97	93.3 Å²	93.3	50%	0.497	51%	0.512	S	S	.	.			trans	-55	91.4	172.9	-63.1	152.3	0	0	0	105.9	D247 L251	D247-I249 PolarHBondContact O-N 3.06Å; I249-L251 VanDerWaalsContact C-N 3.32Å; I249-L251 PolarHBondContact O-N 3.45Å
250	L	44.5	Very low	51.6	Low	139 Å²	139	86.9 Å²	86.9	73%	0.728	48%	0.477	S	S	*	.			trans	-60.8	100.2	175.6	-89.6	152.9	0	0	0	106.1	D248	D248-L250 PolarHBondContact O-N 3.38Å
251	L	53.7	Low	54.6	Low	27 Å²	27	79.7 Å²	79.7	14%	0.141	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-54.8	131.2	175.5	-81.2	150.4	0	0	0	107.8	L187 N193 I249 I253	L187-L251 HydrophobicContact CD1-CD2 4.19Å; L187-L251 HydrophobicContact CD2-CD2 4.23Å; N193-L251 HydrophobicContact CB-CD1 4.11Å; I249-L251 VanDerWaalsContact C-N 3.32Å; I249-L251 PolarHBondContact O-N 3.45Å; L251-I253 PolarHBondContact O-N 3.27Å
252	P	57.2	Low	57.5	Low	52 Å²	52	71.9 Å²	71.9	34%	0.338	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-58.5	118.5	178.8	-21.4	31.3	0	0	0	109.9	G254 W255	P252-G254 PolarHBondContact O-N 2.81Å; P252-W255 HydrophobicContact CB-CD2 3.84Å; P252-W255 HydrophobicContact CB-CG 3.78Å; P252-W255 HydrophobicContact CB-CZ2 4.32Å; P252-W255 HydrophobicContact CG-CD2 3.94Å; P252-W255 HydrophobicContact CG-CE3 4.32Å; P252-W255 HydrophobicContact CG-CG 4.35Å; P252-W255 HydrophobicContact CG-CH2 4.47Å; P252-W255 HydrophobicContact CG-CZ2 4.08Å; P252-W255 PolarHBondContact O-N 2.86Å
253	I	62	Low	60.3	Low	140 Å²	140	69.5 Å²	69.5	72%	0.718	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	131.5	-178	-60.5	173.4	0	0	0	109	L251	L251-I253 PolarHBondContact O-N 3.27Å
254	G	73.2	Confident	63.2	Low	46 Å²	46	62.7 Å²	62.7	47%	0.474	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.2	-1.3	177.6	0	0	0	0	0	115.1	P252	P252-G254 PolarHBondContact O-N 2.81Å
255	W	86.1	Confident	65.9	Low	34 Å²	34	61.5 Å²	61.5	13%	0.129	33%	0.334	C	S	.	.			trans	-67.9	150.5	172	-80.3	32	0	0	0	111.9	L187 M223 P252 G291 K293 D314 G315	L187-W255 VanDerWaalsContact CB-O 3.3Å; L187-W255 WeakPolarHBondContact CB-O 3.02Å; L187-W255 HydrophobicContact CD1-CB 3.73Å; L187-W255 PolarHBondContact N-O 2.7Å; M223-W255 HydrophobicContact CE-CH2 3.54Å; M223-W255 HydrophobicContact CE-CZ2 3.61Å; M223-W255 HydrophobicContact SD-CZ2 4.37Å; P252-W255 HydrophobicContact CB-CD2 3.84Å; P252-W255 HydrophobicContact CB-CG 3.78Å; P252-W255 HydrophobicContact CB-CZ2 4.32Å; P252-W255 HydrophobicContact CG-CD2 3.94Å; P252-W255 HydrophobicContact CG-CE3 4.32Å; P252-W255 HydrophobicContact CG-CG 4.35Å; P252-W255 HydrophobicContact CG-CH2 4.47Å; P252-W255 HydrophobicContact CG-CZ2 4.08Å; P252-W255 PolarHBondContact O-N 2.86Å; W255-G291 VanDerWaalsContact CH2-O 3.26Å; W255-G291 WeakPolarHBondContact CH2-O 3.28Å; W255-K293 HydrophobicContact CZ3-CB 4.28Å; W255-D314 HydrophobicContact CE3-CB 3.98Å; W255-D314 HydrophobicContact CZ3-CB 4.37Å; W255-D314 WeakPolarHBondContact CZ3-O 3.37Å; W255-G315 CarbonylContact C-O 3.52Å; W255-G315 WeakPolarHBondContact CA-O 3.35Å; W255-G315 WeakPolarHBondContact CB-O 3.44Å; W255-G315 VanDerWaalsContact CE3-CA 3.44Å
256	L	87.3	Confident	68.7	Low	31 Å²	31	58.5 Å²	58.5	16%	0.162	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	144.5	170.8	-65.8	173.9	0	0	0	109.2	F184 T185 V186 D314 G315 K318 I321	F184-L256 HydrophobicContact CD1-CB 4.43Å; T185-L256 CarbonylContact O-C 3.57Å; T185-L256 WeakPolarHBondContact O-CA 3.28Å; V186-L256 HydrophobicContact CB-CD2 4.42Å; V186-L256 HydrophobicContact CG2-CD2 3.76Å; L256-D314 CarbonylContact O-C 3.51Å; L256-D314 WeakPolarHBondContact O-CA 3.39Å; L256-G315 PolarHBondContact N-O 3.21Å; L256-G315 PolarHBondContact O-N 3.43Å; L256-G315 VanDerWaalsContact O-O 3.11Å; L256-K318 HydrophobicContact CD1-CG 3.61Å; L256-I321 HydrophobicContact CB-CD1 3.59Å; L256-I321 VanDerWaalsContact O-CD1 3.31Å; L256-I321 WeakPolarHBondContact O-CD1 3.32Å
257	R	86.8	Confident	71.3	Confident	26 Å²	26	53.6 Å²	53.6	10%	0.098	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.4	175.6	165.7	163.6	-66.9	172.3	0.1	108.6	F184 T185 L187 N193 V312 D314	F184-R257 CarbonylContact C-O 3.58Å; F184-R257 WeakPolarHBondContact CA-O 3.48Å; T185-R257 PolarHBondContact N-O 2.68Å; T185-R257 PolarHBondContact O-N 3.01Å; T185-R257 WeakPolarHBondContact OG1-CB 3.46Å; T185-R257 PolarHBondContact OG1-O 2.93Å; L187-R257 HydrophobicContact CD1-CB 4.29Å; L187-R257 HydrophobicContact CD2-CB 4.2Å; L187-R257 HydrophobicContact CG-CB 3.95Å; N193-R257 PolarHBondContact OD1-NH1 2.73Å; R257-V312 HydrophobicContact CG-CG1 3.52Å; R257-D314 WeakPolarHBondContact CA-OD1 3.45Å; R257-D314 WeakPolarHBondContact CB-OD1 3.39Å; R257-D314 VanDerWaalsContact CG-OD1 3.26Å; R257-D314 WeakPolarHBondContact CG-OD1 3.44Å; R257-D314 IonicContact CZ-OD1 3.63Å; R257-D314 IonicContact CZ-OD2 3.55Å; R257-D314 IonicContact NE-OD1 2.78Å; R257-D314 PolarHBondContact NE-OD1 3.5Å; R257-D314 IonicContact NE-OD2 3.49Å; R257-D314 PolarHBondContact NE-OD2 2.89Å; R257-D314 IonicContact NH2-OD1 3.61Å; R257-D314 IonicContact NH2-OD2 2.76Å; R257-D314 PolarHBondContact NH2-OD2 3.27Å
258	Y	85.7	Confident	73.6	Confident	8 Å²	8	51 Å²	51	3%	0.031	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	111.2	169.2	-176.8	-118.3	0	0	0	109.6	G183 F184 M260 V312 I313 I321 Y325 P343	G183-Y258 WeakPolarHBondContact O-CA 3.19Å; F184-Y258 HydrophobicContact CD1-CD2 4.26Å; F184-Y258 AromaticContact CD2-CD2 3.99Å; F184-Y258 HydrophobicContact CD2-CD2 3.99Å; F184-Y258 HydrophobicContact CD2-CE2 4.44Å; F184-Y258 HydrophobicContact CE1-CD2 4.21Å; F184-Y258 HydrophobicContact CE1-CG 4.32Å; F184-Y258 AromaticContact CE2-CD2 3.93Å; F184-Y258 HydrophobicContact CE2-CD2 3.93Å; F184-Y258 HydrophobicContact CE2-CE2 4.26Å; F184-Y258 HydrophobicContact CG-CD2 4.16Å; F184-Y258 HydrophobicContact CZ-CD2 4.05Å; F184-Y258 HydrophobicContact CZ-CG 4.37Å; Y258-M260 HydrophobicContact CD1-CE 3.66Å; Y258-M260 HydrophobicContact CD1-CG 3.95Å; Y258-M260 HydrophobicContact CD1-SD 3.97Å; Y258-M260 HydrophobicContact CE1-CE 3.72Å; Y258-M260 HydrophobicContact CE1-CG 3.47Å; Y258-M260 VanDerWaalsContact CE1-CG 3.47Å; Y258-M260 HydrophobicContact CE1-SD 3.39Å; Y258-M260 WeakPolarHBondContact CE1-SD 3.18Å; Y258-V312 WeakPolarHBondContact O-CA 3.44Å; Y258-I313 PolarHBondContact N-O 2.71Å; Y258-I313 PolarHBondContact O-N 3.29Å; Y258-I321 HydrophobicContact CD1-CG2 4.33Å; Y258-I321 HydrophobicContact CG-CG2 4.15Å; Y258-Y325 HydrophobicContact CE1-CD2 4.3Å; Y258-P343 HydrophobicContact CE1-CG 4.3Å; Y258-P343 HydrophobicContact CE2-CB 4.35Å; Y258-P343 WeakPolarHBondContact OH-CD 3.04Å
259	T	84.7	Confident	75.7	Confident	4 Å²	4	49.4 Å²	49.4	3%	0.025	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.5	-176.8	-54.5	0	0	0	0	110.8	I181 G183 F261 K310 V312	I181-T259 HydrophobicContact CG2-CG2 4.15Å; I181-T259 WeakPolarHBondContact O-CB 3.45Å; G183-T259 PolarHBondContact N-O 2.87Å; G183-T259 PolarHBondContact O-N 2.95Å; T259-F261 HydrophobicContact CG2-CD1 4.39Å; T259-F261 HydrophobicContact CG2-CE1 3.66Å; T259-F261 HydrophobicContact CG2-CZ 4.27Å; T259-K310 HydrophobicContact CG2-CD 4.43Å; T259-V312 HydrophobicContact CG2-CG2 4.09Å
260	M	87.4	Confident	77.5	Confident	6 Å²	6	47.5 Å²	47.5	3%	0.03	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	168	173.1	-59.9	172.6	-86.6	0	0	109.8	Y258 F311 I313 Y325 L336	Y258-M260 HydrophobicContact CD1-CE 3.66Å; Y258-M260 HydrophobicContact CD1-CG 3.95Å; Y258-M260 HydrophobicContact CD1-SD 3.97Å; Y258-M260 HydrophobicContact CE1-CE 3.72Å; Y258-M260 HydrophobicContact CE1-CG 3.47Å; Y258-M260 VanDerWaalsContact CE1-CG 3.47Å; Y258-M260 HydrophobicContact CE1-SD 3.39Å; Y258-M260 WeakPolarHBondContact CE1-SD 3.18Å; M260-F311 CarbonylContact C-O 3.56Å; M260-F311 WeakPolarHBondContact CA-O 3.32Å; M260-F311 HydrophobicContact CE-CD1 3.42Å; M260-F311 VanDerWaalsContact CE-CD1 3.42Å; M260-F311 HydrophobicContact CE-CE1 3.65Å; M260-F311 PolarHBondContact N-O 2.92Å; M260-F311 PolarHBondContact O-N 3.04Å; M260-I313 HydrophobicContact CE-CD1 3.77Å; M260-I313 HydrophobicContact CE-CG1 3.96Å; M260-Y325 HydrophobicContact CE-CD2 3.87Å; M260-Y325 HydrophobicContact CE-CE2 4.26Å; M260-Y325 HydrophobicContact SD-CD2 3.76Å; M260-Y325 HydrophobicContact SD-CE2 3.56Å; M260-Y325 VanDerWaalsContact SD-CE2 3.56Å; M260-L336 HydrophobicContact CB-CD2 3.66Å; M260-L336 HydrophobicContact CE-CD1 4.43Å; M260-L336 HydrophobicContact CG-CD2 4.42Å; M260-L336 HydrophobicContact SD-CD1 3.72Å; M260-L336 HydrophobicContact SD-CD2 3.9Å; M260-L336 HydrophobicContact SD-CG 4.37Å
261	F	86	Confident	79.2	Confident	1 Å²	1	46.5 Å²	46.5	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	152	-180	-57.5	-38.1	0	0	0	111.8	I177 L182 T259 Y303 I308 R309 K310 I337	I177-F261 HydrophobicContact CD1-CE1 4.02Å; I177-F261 HydrophobicContact CD1-CZ 4.15Å; I177-F261 HydrophobicContact CG2-CE1 4.46Å; I177-F261 HydrophobicContact CG2-CE2 4.04Å; I177-F261 HydrophobicContact CG2-CZ 3.6Å; L182-F261 HydrophobicContact CD1-CD2 4.01Å; L182-F261 HydrophobicContact CD1-CE2 3.64Å; L182-F261 HydrophobicContact CD2-CD1 4.34Å; L182-F261 HydrophobicContact CD2-CD2 3.36Å; L182-F261 HydrophobicContact CD2-CE1 4.11Å; L182-F261 HydrophobicContact CD2-CE2 3.12Å; L182-F261 HydrophobicContact CD2-CG 3.96Å; L182-F261 HydrophobicContact CD2-CZ 3.49Å; L182-F261 VanDerWaalsContact CD2-CZ 3.49Å; L182-F261 HydrophobicContact CG-CD2 3.95Å; L182-F261 HydrophobicContact CG-CE2 3.33Å; L182-F261 HydrophobicContact CG-CZ 3.81Å; T259-F261 HydrophobicContact CG2-CD1 4.39Å; T259-F261 HydrophobicContact CG2-CE1 3.66Å; T259-F261 HydrophobicContact CG2-CZ 4.27Å; F261-Y303 HydrophobicContact CD2-CG 4.45Å; F261-Y303 HydrophobicContact CE2-CD2 4.24Å; F261-Y303 HydrophobicContact CE2-CE2 4.4Å; F261-I308 HydrophobicContact CB-CB 4.39Å; F261-I308 HydrophobicContact CB-CD1 3.74Å; F261-I308 HydrophobicContact CD1-CD1 3.56Å; F261-I308 HydrophobicContact CD2-CD1 3.6Å; F261-I308 HydrophobicContact CE1-CD1 4.11Å; F261-I308 HydrophobicContact CE2-CD1 4.08Å; F261-I308 HydrophobicContact CG-CD1 3.34Å; F261-I308 HydrophobicContact CZ-CD1 4.37Å; F261-R309 WeakPolarHBondContact CA-O 3.49Å; F261-K310 HydrophobicContact CD1-CG 4.09Å; F261-K310 HydrophobicContact CE1-CD 4.36Å; F261-K310 HydrophobicContact CE1-CG 3.9Å; F261-I337 HydrophobicContact CB-CB 4.44Å; F261-I337 HydrophobicContact CB-CD1 3.84Å; F261-I337 HydrophobicContact CB-CG1 4.44Å; F261-I337 WeakPolarHBondContact O-CG1 3.45Å; F261-I337 PolarHBondContact O-N 3.16Å
262	I	86.1	Confident	80.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.5	172	-53.5	171	0	0	0	108.5	Q264 L267 I308 R309 F311 L335 L336	I262-Q264 PolarHBondContact O-N 3.31Å; I262-L267 HydrophobicContact CB-CD1 4.29Å; I262-L267 HydrophobicContact CB-CD2 4.27Å; I262-L267 HydrophobicContact CB-CG 4.39Å; I262-L267 HydrophobicContact CD1-CD2 4.4Å; I262-L267 HydrophobicContact CG2-CD1 4.03Å; I262-L267 HydrophobicContact CG2-CD2 3.33Å; I262-L267 HydrophobicContact CG2-CG 3.59Å; I262-I308 CarbonylContact O-C 3.58Å; I262-I308 WeakPolarHBondContact O-CA 3.35Å; I262-R309 PolarHBondContact N-O 3.25Å; I262-R309 PolarHBondContact O-N 3.09Å; I262-F311 HydrophobicContact CD1-CB 3.88Å; I262-F311 HydrophobicContact CD1-CD2 3.93Å; I262-F311 HydrophobicContact CD1-CG 4.16Å; I262-F311 HydrophobicContact CG1-CB 4.13Å; I262-L335 HydrophobicContact CG2-CB 3.84Å; I262-L335 WeakPolarHBondContact CG2-O 3.45Å; I262-L336 HydrophobicContact CD1-CD2 4.06Å; I262-L336 HydrophobicContact CG1-CD2 3.63Å; I262-L336 HydrophobicContact CG1-CG 4.31Å
263	Y	82.8	Confident	81.3	Confident	43 Å²	43	45.3 Å²	45.3	17%	0.169	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	126.5	174.4	-73	-60.4	0	0	0	110.7	T265 K266 L267 N306 I308 I337	Y263-T265 PolarHBondContact O-N 2.95Å; Y263-K266 PolarHBondContact O-N 3.2Å; Y263-K266 VanDerWaalsContact O-N 3.09Å; Y263-L267 PolarHBondContact O-N 3.09Å; Y263-N306 HydrophobicContact CD1-CB 3.77Å; Y263-N306 HydrophobicContact CE1-CB 3.54Å; Y263-I308 HydrophobicContact CD1-CG2 3.62Å; Y263-I308 HydrophobicContact CE1-CG2 3.91Å; Y263-I337 HydrophobicContact CD1-CD1 3.64Å; Y263-I337 HydrophobicContact CD2-CD1 3.52Å; Y263-I337 HydrophobicContact CD2-CG1 3.53Å; Y263-I337 HydrophobicContact CE1-CD1 3.5Å; Y263-I337 HydrophobicContact CE1-CG1 4.47Å; Y263-I337 HydrophobicContact CE2-CB 4.48Å; Y263-I337 HydrophobicContact CE2-CD1 3.42Å; Y263-I337 VanDerWaalsContact CE2-CD1 3.42Å; Y263-I337 HydrophobicContact CE2-CG1 3.47Å; Y263-I337 VanDerWaalsContact CE2-CG1 3.47Å; Y263-I337 HydrophobicContact CE2-CG2 4.27Å; Y263-I337 HydrophobicContact CG-CD1 3.63Å; Y263-I337 HydrophobicContact CG-CG1 4.09Å
264	Q	84.9	Confident	82	Confident	17 Å²	17	42.4 Å²	42.4	8%	0.079	23%	0.227	C	C	.	.	H	α-helix	trans	-60.2	-36.8	179.9	179.7	57.7	24.2	0	0	111.5	I262 K266 L267 D268 L300 L307	I262-Q264 PolarHBondContact O-N 3.31Å; Q264-K266 VanDerWaalsContact C-N 3.29Å; Q264-K266 PolarHBondContact O-N 3.32Å; Q264-L267 WeakPolarHBondContact O-CB 3.24Å; Q264-L267 PolarHBondContact O-N 3.47Å; Q264-D268 WeakPolarHBondContact CG-OD2 3.46Å; Q264-D268 PolarHBondContact NE2-OD1 3.44Å; Q264-D268 PolarHBondContact NE2-OD2 2.73Å; Q264-D268 PolarHBondContact O-N 3Å; Q264-L300 HydrophobicContact CB-CD2 3.96Å; Q264-L300 HydrophobicContact CG-CD1 4.35Å; Q264-L300 HydrophobicContact CG-CD2 3.77Å; Q264-L300 VanDerWaalsContact OE1-CD2 3.26Å; Q264-L307 HydrophobicContact CB-CB 3.92Å; Q264-L307 WeakPolarHBondContact CB-O 3.47Å; Q264-L307 PolarHBondContact N-O 3.17Å
265	T	79.7	Confident	82.3	Confident	93 Å²	93	42.5 Å²	42.5	57%	0.571	22%	0.217	S	C	*	.	H	α-helix	trans	-57.3	-40.4	175.7	52	0	0	0	0	112.7	Y263 T269	Y263-T265 PolarHBondContact O-N 2.95Å; T265-T269 WeakPolarHBondContact O-CG2 3.39Å; T265-T269 PolarHBondContact O-N 3.14Å; T265-T269 PolarHBondContact O-OG1 3.35Å
266	K	82.8	Confident	81.9	Confident	89 Å²	89	40.9 Å²	40.9	39%	0.387	21%	0.211	S	C	.	.	H	α-helix	trans	-68.9	-37.4	175.1	-68.5	-173.1	175.8	-174.7	0	111.9	Y263 Q264 T269 L335	Y263-K266 PolarHBondContact O-N 3.2Å; Y263-K266 VanDerWaalsContact O-N 3.09Å; Q264-K266 VanDerWaalsContact C-N 3.29Å; Q264-K266 PolarHBondContact O-N 3.32Å; K266-T269 WeakPolarHBondContact CA-OG1 3.45Å; K266-T269 PolarHBondContact O-OG1 3.23Å; K266-L335 HydrophobicContact CB-CD2 3.94Å
267	L	82.3	Confident	81.3	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-64.4	-42.6	177.7	-64	-175.4	0	0	0	111.5	I262 Y263 Q264 I270 K271 F272 R309 L335	I262-L267 HydrophobicContact CB-CD1 4.29Å; I262-L267 HydrophobicContact CB-CD2 4.27Å; I262-L267 HydrophobicContact CB-CG 4.39Å; I262-L267 HydrophobicContact CD1-CD2 4.4Å; I262-L267 HydrophobicContact CG2-CD1 4.03Å; I262-L267 HydrophobicContact CG2-CD2 3.33Å; I262-L267 HydrophobicContact CG2-CG 3.59Å; Y263-L267 PolarHBondContact O-N 3.09Å; Q264-L267 WeakPolarHBondContact O-CB 3.24Å; Q264-L267 PolarHBondContact O-N 3.47Å; L267-I270 WeakPolarHBondContact O-CG1 3.48Å; L267-I270 PolarHBondContact O-N 3.31Å; L267-K271 PolarHBondContact O-N 3.42Å; L267-F272 HydrophobicContact CB-CB 3.92Å; L267-F272 HydrophobicContact CB-CG 4.49Å; L267-F272 HydrophobicContact CD1-CD1 4.33Å; L267-F272 HydrophobicContact CD2-CB 3.68Å; L267-F272 HydrophobicContact CD2-CD1 3.55Å; L267-F272 HydrophobicContact CD2-CD2 3.82Å; L267-F272 HydrophobicContact CD2-CE1 4.01Å; L267-F272 HydrophobicContact CD2-CE2 4.25Å; L267-F272 HydrophobicContact CD2-CG 3.42Å; L267-F272 VanDerWaalsContact CD2-CG 3.42Å; L267-F272 HydrophobicContact CD2-CZ 4.31Å; L267-F272 HydrophobicContact CG-CB 4.39Å; L267-F272 HydrophobicContact CG-CD1 4.37Å; L267-F272 HydrophobicContact CG-CG 4.45Å; L267-F272 WeakPolarHBondContact O-CB 3.35Å; L267-F272 PolarHBondContact O-N 3.17Å; L267-R309 HydrophobicContact CD1-CB 4.18Å; L267-R309 HydrophobicContact CD1-CG 4.06Å; L267-L335 HydrophobicContact CD2-CD1 4.15Å
268	D	78.5	Confident	80.8	Confident	98 Å²	98	48.2 Å²	48.2	52%	0.524	24%	0.243	S	C	.	.	H	α-helix	trans	-68	-39.4	-177.8	-68.2	-28.8	0	0	0	111.7	Q264 I270 K271	Q264-D268 WeakPolarHBondContact CG-OD2 3.46Å; Q264-D268 PolarHBondContact NE2-OD1 3.44Å; Q264-D268 PolarHBondContact NE2-OD2 2.73Å; Q264-D268 PolarHBondContact O-N 3Å; D268-I270 PolarHBondContact O-N 2.91Å; D268-I270 VanDerWaalsContact O-N 3.17Å; D268-K271 PolarHBondContact O-N 3.43Å; D268-K271 VanDerWaalsContact O-N 3.16Å
269	T	76.1	Confident	80.5	Confident	82 Å²	82	49.9 Å²	49.9	50%	0.503	25%	0.251	S	S	.	.	H	α-helix	trans	-57.6	-32.7	178.6	44.9	0	0	0	0	113.8	T265 K266	T265-T269 WeakPolarHBondContact O-CG2 3.39Å; T265-T269 PolarHBondContact O-N 3.14Å; T265-T269 PolarHBondContact O-OG1 3.35Å; K266-T269 WeakPolarHBondContact CA-OG1 3.45Å; K266-T269 PolarHBondContact O-OG1 3.23Å
270	I	79.8	Confident	80.2	Confident	58 Å²	58	50.9 Å²	50.9	30%	0.297	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	6.7	-177	64.4	167.8	0	0	0	113.2	L267 D268 F272 I275 L331 L335	L267-I270 WeakPolarHBondContact O-CG1 3.48Å; L267-I270 PolarHBondContact O-N 3.31Å; D268-I270 PolarHBondContact O-N 2.91Å; D268-I270 VanDerWaalsContact O-N 3.17Å; I270-F272 HydrophobicContact CD1-CB 3.91Å; I270-F272 HydrophobicContact CD1-CD2 3.96Å; I270-F272 HydrophobicContact CD1-CG 4.44Å; I270-F272 HydrophobicContact CG1-CB 3.82Å; I270-F272 PolarHBondContact O-N 3.29Å; I270-I275 VanDerWaalsContact O-CD1 3.24Å; I270-I275 WeakPolarHBondContact O-CD1 3.38Å; I270-L331 HydrophobicContact CD1-CD1 4.06Å; I270-L331 HydrophobicContact CD1-CD2 4.46Å; I270-L331 HydrophobicContact CD1-CG 4.5Å; I270-L335 HydrophobicContact CD1-CD1 3.57Å; I270-L335 HydrophobicContact CD1-CD2 3.84Å; I270-L335 HydrophobicContact CD1-CG 4.26Å
271	K	80.4	Confident	79.7	Confident	118 Å²	118	57.1 Å²	57.1	51%	0.513	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	46.6	-170.6	-59.1	179.9	179.7	177.8	0	111.8	L267 D268 L273 T274 I275	L267-K271 PolarHBondContact O-N 3.42Å; D268-K271 PolarHBondContact O-N 3.43Å; D268-K271 VanDerWaalsContact O-N 3.16Å; K271-L273 VanDerWaalsContact C-N 3.28Å; K271-L273 PolarHBondContact O-N 2.71Å; K271-L273 VanDerWaalsContact O-N 3.14Å; K271-T274 WeakPolarHBondContact O-CB 3.34Å; K271-T274 PolarHBondContact O-N 3.4Å; K271-I275 PolarHBondContact O-N 2.84Å
272	F	80.5	Confident	79.6	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.009	30%	0.301	C	S	.	.	H	α-helix	trans	-55.2	-38.5	-168.1	172.9	-98.1	0	0	0	113.8	L267 I270 T274 I275 F276 I296 F332 L335	L267-F272 HydrophobicContact CB-CB 3.92Å; L267-F272 HydrophobicContact CB-CG 4.49Å; L267-F272 HydrophobicContact CD1-CD1 4.33Å; L267-F272 HydrophobicContact CD2-CB 3.68Å; L267-F272 HydrophobicContact CD2-CD1 3.55Å; L267-F272 HydrophobicContact CD2-CD2 3.82Å; L267-F272 HydrophobicContact CD2-CE1 4.01Å; L267-F272 HydrophobicContact CD2-CE2 4.25Å; L267-F272 HydrophobicContact CD2-CG 3.42Å; L267-F272 VanDerWaalsContact CD2-CG 3.42Å; L267-F272 HydrophobicContact CD2-CZ 4.31Å; L267-F272 HydrophobicContact CG-CB 4.39Å; L267-F272 HydrophobicContact CG-CD1 4.37Å; L267-F272 HydrophobicContact CG-CG 4.45Å; L267-F272 WeakPolarHBondContact O-CB 3.35Å; L267-F272 PolarHBondContact O-N 3.17Å; I270-F272 HydrophobicContact CD1-CB 3.91Å; I270-F272 HydrophobicContact CD1-CD2 3.96Å; I270-F272 HydrophobicContact CD1-CG 4.44Å; I270-F272 HydrophobicContact CG1-CB 3.82Å; I270-F272 PolarHBondContact O-N 3.29Å; F272-T274 PolarHBondContact O-N 3.47Å; F272-I275 CarbonylContact O-C 3.52Å; F272-I275 WeakPolarHBondContact O-CA 3.21Å; F272-I275 WeakPolarHBondContact O-CB 3.42Å; F272-I275 PolarHBondContact O-N 3.31Å; F272-F276 HydrophobicContact CD1-CB 4.18Å; F272-F276 HydrophobicContact CE1-CB 3.9Å; F272-F276 HydrophobicContact CE1-CD2 4.03Å; F272-F276 HydrophobicContact CE1-CG 4.15Å; F272-F276 HydrophobicContact CZ-CB 4.23Å; F272-F276 AromaticContact CZ-CD2 3.95Å; F272-F276 HydrophobicContact CZ-CD2 3.95Å; F272-F276 HydrophobicContact CZ-CG 4.44Å; F272-F276 VanDerWaalsContact O-CB 3.3Å; F272-F276 WeakPolarHBondContact O-CB 2.86Å; F272-F276 PolarHBondContact O-N 3.39Å; F272-I296 HydrophobicContact CE1-CD1 3.57Å; F272-I296 HydrophobicContact CZ-CD1 3.72Å; F272-F332 HydrophobicContact CE2-CD1 4.24Å; F272-F332 AromaticContact CE2-CE1 3.8Å; F272-F332 HydrophobicContact CE2-CE1 3.8Å; F272-F332 HydrophobicContact CE2-CZ 4Å; F272-F332 HydrophobicContact CZ-CD1 4.1Å; F272-F332 AromaticContact CZ-CE1 3.45Å; F272-F332 HydrophobicContact CZ-CE1 3.45Å; F272-F332 VanDerWaalsContact CZ-CE1 3.45Å; F272-F332 AromaticContact CZ-CZ 3.93Å; F272-F332 HydrophobicContact CZ-CZ 3.93Å; F272-L335 HydrophobicContact CD2-CD1 3.52Å; F272-L335 HydrophobicContact CE2-CD1 3.64Å
273	L	75.4	Confident	79.5	Confident	52 Å²	52	61.2 Å²	61.2	27%	0.272	30%	0.301	S	S	.	.	H	α-helix	trans	-58.3	-40.1	180	-72.3	172.5	0	0	0	111.6	F198 K271 I275 F276 H277	F198-L273 HydrophobicContact CD2-CD2 4.07Å; F198-L273 HydrophobicContact CE1-CD2 4.04Å; F198-L273 HydrophobicContact CE2-CD2 3.41Å; F198-L273 VanDerWaalsContact CE2-CD2 3.41Å; F198-L273 HydrophobicContact CZ-CD1 4.05Å; F198-L273 HydrophobicContact CZ-CD2 3.4Å; F198-L273 VanDerWaalsContact CZ-CD2 3.4Å; F198-L273 HydrophobicContact CZ-CG 4.39Å; K271-L273 VanDerWaalsContact C-N 3.28Å; K271-L273 PolarHBondContact O-N 2.71Å; K271-L273 VanDerWaalsContact O-N 3.14Å; L273-I275 VanDerWaalsContact C-N 3.34Å; L273-I275 PolarHBondContact O-N 3.02Å; L273-F276 PolarHBondContact O-N 3.39Å; L273-H277 PolarHBondContact O-CD2 3.1Å; L273-H277 PolarHBondContact O-N 3.11Å
274	T	76	Confident	79.4	Confident	78 Å²	78	62.2 Å²	62.2	48%	0.479	31%	0.307	S	S	.	.	H	α-helix	trans	-62.9	-42.1	174.9	-46.8	0	0	0	0	111.3	K271 F272 K278	K271-T274 WeakPolarHBondContact O-CB 3.34Å; K271-T274 PolarHBondContact O-N 3.4Å; F272-T274 PolarHBondContact O-N 3.47Å; T274-K278 WeakPolarHBondContact O-CG 2.99Å; T274-K278 PolarHBondContact O-N 2.97Å; T274-K278 VanDerWaalsContact O-N 3.1Å
275	I	78.2	Confident	79.3	Confident	48 Å²	48	64.6 Å²	64.6	25%	0.246	33%	0.325	C	S	.	.	H	α-helix	trans	-66.9	-43	176.7	-59.7	175.1	0	0	0	110.8	I270 K271 F272 L273 H277 K278 M279 L331	I270-I275 VanDerWaalsContact O-CD1 3.24Å; I270-I275 WeakPolarHBondContact O-CD1 3.38Å; K271-I275 PolarHBondContact O-N 2.84Å; F272-I275 CarbonylContact O-C 3.52Å; F272-I275 WeakPolarHBondContact O-CA 3.21Å; F272-I275 WeakPolarHBondContact O-CB 3.42Å; F272-I275 PolarHBondContact O-N 3.31Å; L273-I275 VanDerWaalsContact C-N 3.34Å; L273-I275 PolarHBondContact O-N 3.02Å; I275-H277 VanDerWaalsContact C-N 3.34Å; I275-H277 PolarHBondContact O-N 3.31Å; I275-K278 CarbonylContact O-C 3.55Å; I275-K278 WeakPolarHBondContact O-CA 3.25Å; I275-K278 WeakPolarHBondContact O-CB 3.48Å; I275-K278 PolarHBondContact O-N 3.3Å; I275-K278 VanDerWaalsContact O-N 3.11Å; I275-M279 HydrophobicContact CG2-CE 3.77Å; I275-M279 HydrophobicContact CG2-CG 4.23Å; I275-M279 HydrophobicContact CG2-SD 4.06Å; I275-M279 WeakPolarHBondContact O-CB 2.89Å; I275-M279 WeakPolarHBondContact O-CG 3.22Å; I275-M279 PolarHBondContact O-N 2.79Å; I275-L331 HydrophobicContact CD1-CD2 4.45Å; I275-L331 HydrophobicContact CG2-CD2 3.75Å
276	F	78.6	Confident	79.6	Confident	1 Å²	1	60.9 Å²	60.9	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-59.6	-44.3	179	179.7	-99.7	0	0	0	111.5	F198 Y200 F272 L273 M279 K280 L283 I296 F332	F198-F276 HydrophobicContact CB-CE1 3.89Å; Y200-F276 HydrophobicContact CE1-CD1 4.12Å; Y200-F276 AromaticContact CE1-CE1 3.61Å; Y200-F276 HydrophobicContact CE1-CE1 3.61Å; Y200-F276 AromaticContact CE1-CZ 3.87Å; Y200-F276 HydrophobicContact CE1-CZ 3.87Å; Y200-F276 HydrophobicContact CE2-CZ 4.17Å; Y200-F276 AromaticContact CZ-CE1 3.67Å; Y200-F276 AromaticContact CZ-CE2 3.97Å; Y200-F276 AromaticContact CZ-CZ 3.4Å; Y200-F276 VanDerWaalsContact CZ-CZ 3.4Å; Y200-F276 WeakPolarHBondContact OH-CE1 3.49Å; Y200-F276 WeakPolarHBondContact OH-CE2 3.5Å; Y200-F276 WeakPolarHBondContact OH-CZ 2.95Å; F272-F276 HydrophobicContact CD1-CB 4.18Å; F272-F276 HydrophobicContact CE1-CB 3.9Å; F272-F276 HydrophobicContact CE1-CD2 4.03Å; F272-F276 HydrophobicContact CE1-CG 4.15Å; F272-F276 HydrophobicContact CZ-CB 4.23Å; F272-F276 AromaticContact CZ-CD2 3.95Å; F272-F276 HydrophobicContact CZ-CD2 3.95Å; F272-F276 HydrophobicContact CZ-CG 4.44Å; F272-F276 VanDerWaalsContact O-CB 3.3Å; F272-F276 WeakPolarHBondContact O-CB 2.86Å; F272-F276 PolarHBondContact O-N 3.39Å; L273-F276 PolarHBondContact O-N 3.39Å; F276-M279 CarbonylContact O-C 3.53Å; F276-M279 PolarHBondContact O-N 3.41Å; F276-K280 PolarHBondContact O-N 3.02Å; F276-L283 HydrophobicContact CD2-CD1 3.88Å; F276-L283 HydrophobicContact CE2-CD1 3.75Å; F276-I296 HydrophobicContact CD2-CD1 3.43Å; F276-I296 VanDerWaalsContact CD2-CD1 3.43Å; F276-I296 HydrophobicContact CD2-CG1 4.43Å; F276-I296 HydrophobicContact CE1-CD1 4.42Å; F276-I296 HydrophobicContact CE2-CD1 3.12Å; F276-I296 HydrophobicContact CE2-CG1 3.68Å; F276-I296 HydrophobicContact CG-CD1 4.2Å; F276-I296 HydrophobicContact CZ-CB 4.28Å; F276-I296 HydrophobicContact CZ-CD1 3.66Å; F276-I296 HydrophobicContact CZ-CG1 3.79Å; F276-F332 HydrophobicContact CD2-CE1 4.03Å; F276-F332 AromaticContact CD2-CZ 3.87Å; F276-F332 HydrophobicContact CD2-CZ 3.87Å; F276-F332 HydrophobicContact CE2-CE1 4.29Å; F276-F332 HydrophobicContact CE2-CZ 4.36Å
277	H	75.4	Confident	79.8	Confident	72 Å²	72	58 Å²	58	33%	0.333	29%	0.289	S	S	.	.	H	α-helix	trans	-64.8	-39.8	173.5	-73.8	-61.7	0	0	0	112.2	L273 I275 M279 K280	L273-H277 PolarHBondContact O-CD2 3.1Å; L273-H277 PolarHBondContact O-N 3.11Å; I275-H277 VanDerWaalsContact C-N 3.34Å; I275-H277 PolarHBondContact O-N 3.31Å; H277-M279 VanDerWaalsContact C-N 3.29Å; H277-M279 PolarHBondContact O-N 3.02Å; H277-K280 WeakPolarHBondContact O-CB 3.38Å; H277-K280 PolarHBondContact O-N 2.74Å
278	K	76.6	Confident	80	Confident	138 Å²	138	63 Å²	63	60%	0.6	32%	0.316	S	S	*	.	H	α-helix	trans	-64.3	-33.1	173.8	-73.1	178.8	178.9	-172.8	0	112.6	T274 I275 K280	T274-K278 WeakPolarHBondContact O-CG 2.99Å; T274-K278 PolarHBondContact O-N 2.97Å; T274-K278 VanDerWaalsContact O-N 3.1Å; I275-K278 CarbonylContact O-C 3.55Å; I275-K278 WeakPolarHBondContact O-CA 3.25Å; I275-K278 WeakPolarHBondContact O-CB 3.48Å; I275-K278 PolarHBondContact O-N 3.3Å; I275-K278 VanDerWaalsContact O-N 3.11Å; K278-K280 VanDerWaalsContact C-N 3.29Å; K278-K280 PolarHBondContact O-N 3.02Å
279	M	77.9	Confident	80.4	Confident	43 Å²	43	66 Å²	66	21%	0.212	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	6	178.1	-68.5	-169.2	176.6	0	0	114	I275 F276 H277 Y281 I282 L283 P329 L331 F332	I275-M279 HydrophobicContact CG2-CE 3.77Å; I275-M279 HydrophobicContact CG2-CG 4.23Å; I275-M279 HydrophobicContact CG2-SD 4.06Å; I275-M279 WeakPolarHBondContact O-CB 2.89Å; I275-M279 WeakPolarHBondContact O-CG 3.22Å; I275-M279 PolarHBondContact O-N 2.79Å; F276-M279 CarbonylContact O-C 3.53Å; F276-M279 PolarHBondContact O-N 3.41Å; H277-M279 VanDerWaalsContact C-N 3.29Å; H277-M279 PolarHBondContact O-N 3.02Å; M279-Y281 VanDerWaalsContact C-N 3.27Å; M279-Y281 PolarHBondContact O-N 3.35Å; M279-Y281 VanDerWaalsContact O-N 3.16Å; M279-I282 HydrophobicContact CG-CD1 4.31Å; M279-I282 PolarHBondContact O-N 3.28Å; M279-L283 HydrophobicContact CB-CD1 4.06Å; M279-L283 PolarHBondContact O-N 3.48Å; M279-P329 HydrophobicContact SD-CB 4.39Å; M279-P329 HydrophobicContact SD-CG 4.24Å; M279-L331 HydrophobicContact CE-CD2 4.34Å; M279-F332 HydrophobicContact SD-CE2 4.01Å
280	K	79.2	Confident	80.8	Confident	25 Å²	25	62.3 Å²	62.3	11%	0.109	30%	0.301	C	S	.	.	H	α-helix	trans	-45	-49	179.4	168.4	173	169.9	172.5	0	112.8	Y200 N201 Y206 F276 H277 K278 I282 L283 H284	Y200-K280 HydrophobicContact CD1-CB 3.47Å; Y200-K280 VanDerWaalsContact CD1-CB 3.47Å; Y200-K280 HydrophobicContact CD1-CD 3.69Å; Y200-K280 HydrophobicContact CD1-CG 3.33Å; Y200-K280 HydrophobicContact CE1-CB 3.63Å; Y200-K280 HydrophobicContact CE1-CG 3.96Å; Y200-K280 HydrophobicContact CG-CB 4.32Å; Y200-K280 HydrophobicContact CG-CD 4.01Å; Y200-K280 HydrophobicContact CG-CG 3.7Å; Y200-K280 WeakPolarHBondContact O-CE 3.48Å; Y200-K280 PolarHBondContact O-NZ 3.16Å; N201-K280 PolarHBondContact OD1-NZ 2.76Å; Y206-K280 WeakPolarHBondContact OH-CE 3.36Å; Y206-K280 PolarHBondContact OH-NZ 2.97Å; F276-K280 PolarHBondContact O-N 3.02Å; H277-K280 WeakPolarHBondContact O-CB 3.38Å; H277-K280 PolarHBondContact O-N 2.74Å; K278-K280 VanDerWaalsContact C-N 3.29Å; K278-K280 PolarHBondContact O-N 3.02Å; K280-I282 PolarHBondContact O-N 3.29Å; K280-L283 PolarHBondContact O-N 3.45Å; K280-H284 VanDerWaalsContact O-CB 3.32Å; K280-H284 WeakPolarHBondContact O-CB 3.42Å; K280-H284 PolarHBondContact O-N 3.45Å
281	Y	77.6	Confident	81.1	Confident	138 Å²	138	60.4 Å²	60.4	54%	0.541	30%	0.296	S	S	.	.	H	α-helix	trans	-67.5	-37.1	-177.9	-60.5	-74	0	0	0	113.4	M209 M279 S285	M209-Y281 HydrophobicContact CE-CD1 4.45Å; M209-Y281 HydrophobicContact CE-CE1 4.21Å; M279-Y281 VanDerWaalsContact C-N 3.27Å; M279-Y281 PolarHBondContact O-N 3.35Å; M279-Y281 VanDerWaalsContact O-N 3.16Å; Y281-S285 WeakPolarHBondContact O-CB 3.21Å; Y281-S285 PolarHBondContact O-N 3.31Å
282	I	82.1	Confident	81.5	Confident	87 Å²	87	55.1 Å²	55.1	45%	0.446	27%	0.273	S	S	.	.	H	α-helix	trans	-66.1	-46.7	178.2	-60.7	174.2	0	0	0	109.4	M279 K280 S285 I286 P329	M279-I282 HydrophobicContact CG-CD1 4.31Å; M279-I282 PolarHBondContact O-N 3.28Å; K280-I282 PolarHBondContact O-N 3.29Å; I282-S285 WeakPolarHBondContact O-CB 3.47Å; I282-S285 PolarHBondContact O-N 3.18Å; I282-I286 HydrophobicContact CG2-CD1 4.09Å; I282-I286 WeakPolarHBondContact O-CG1 3.4Å; I282-I286 PolarHBondContact O-N 3.32Å; I282-P329 HydrophobicContact CG2-CG 4.16Å
283	L	83.9	Confident	81.8	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66.7	-41.9	-179	-68.8	160.9	0	0	0	110.7	Y200 F276 M279 K280 S285 I286 E287 I294 L328 F332	Y200-L283 HydrophobicContact CE2-CB 4.38Å; Y200-L283 WeakPolarHBondContact OH-CB 3.48Å; Y200-L283 WeakPolarHBondContact OH-CD1 3.48Å; F276-L283 HydrophobicContact CD2-CD1 3.88Å; F276-L283 HydrophobicContact CE2-CD1 3.75Å; M279-L283 HydrophobicContact CB-CD1 4.06Å; M279-L283 PolarHBondContact O-N 3.48Å; K280-L283 PolarHBondContact O-N 3.45Å; L283-S285 VanDerWaalsContact C-N 3.33Å; L283-S285 PolarHBondContact O-N 3.45Å; L283-I286 HydrophobicContact CD2-CD1 4.44Å; L283-I286 WeakPolarHBondContact O-CB 3.45Å; L283-I286 PolarHBondContact O-N 3.15Å; L283-I286 VanDerWaalsContact O-N 3.16Å; L283-E287 WeakPolarHBondContact O-CG 3.46Å; L283-E287 PolarHBondContact O-N 3.03Å; L283-I294 HydrophobicContact CB-CD1 4.49Å; L283-I294 HydrophobicContact CD2-CD1 3.87Å; L283-L328 HydrophobicContact CD2-CD2 3.91Å; L283-F332 HydrophobicContact CD1-CE1 4.49Å; L283-F332 HydrophobicContact CD1-CE2 4.19Å; L283-F332 HydrophobicContact CD1-CZ 3.66Å; L283-F332 HydrophobicContact CD2-CE2 4.22Å; L283-F332 HydrophobicContact CD2-CZ 4.12Å; L283-F332 HydrophobicContact CG-CZ 4.5Å
284	H	81.6	Confident	82.5	Confident	63 Å²	63	56.1 Å²	56.1	29%	0.292	28%	0.276	S	S	.	.	H	α-helix	trans	-61.7	-39.1	173.8	-169	53.7	0	0	0	113	K280 I286 E287 I288	K280-H284 VanDerWaalsContact O-CB 3.32Å; K280-H284 WeakPolarHBondContact O-CB 3.42Å; K280-H284 PolarHBondContact O-N 3.45Å; H284-I286 VanDerWaalsContact C-N 3.34Å; H284-I286 PolarHBondContact O-N 3.42Å; H284-E287 IonicContact ND1-OE2 2.68Å; H284-E287 PolarHBondContact ND1-OE2 3.38Å; H284-E287 WeakPolarHBondContact O-CB 3.3Å; H284-E287 PolarHBondContact O-N 3.28Å; H284-I288 WeakPolarHBondContact NE2-CD1 3.41Å; H284-I288 WeakPolarHBondContact O-CG1 3.44Å; H284-I288 PolarHBondContact O-N 2.81Å
285	S	82.7	Confident	83	Confident	67 Å²	67	52.8 Å²	52.8	47%	0.469	26%	0.255	S	S	.	.	H	α-helix	trans	-62.4	-41	174.3	-177.2	0	0	0	0	112	Y281 I282 L283 I288 K289	Y281-S285 WeakPolarHBondContact O-CB 3.21Å; Y281-S285 PolarHBondContact O-N 3.31Å; I282-S285 WeakPolarHBondContact O-CB 3.47Å; I282-S285 PolarHBondContact O-N 3.18Å; L283-S285 VanDerWaalsContact C-N 3.33Å; L283-S285 PolarHBondContact O-N 3.45Å; S285-I288 PolarHBondContact O-N 3.14Å; S285-K289 VanDerWaalsContact O-CB 3.29Å; S285-K289 WeakPolarHBondContact O-CB 3.35Å; S285-K289 PolarHBondContact O-N 3.45Å
286	I	86.7	Confident	83.3	Confident	16 Å²	16	50.5 Å²	50.5	8%	0.082	24%	0.243	C	C	.	.	H	α-helix	trans	-63.8	-43.8	175.2	-65.2	161.8	0	0	0	110.6	I282 L283 H284 K289 T290 I294 S327	I282-I286 HydrophobicContact CG2-CD1 4.09Å; I282-I286 WeakPolarHBondContact O-CG1 3.4Å; I282-I286 PolarHBondContact O-N 3.32Å; L283-I286 HydrophobicContact CD2-CD1 4.44Å; L283-I286 WeakPolarHBondContact O-CB 3.45Å; L283-I286 PolarHBondContact O-N 3.15Å; L283-I286 VanDerWaalsContact O-N 3.16Å; H284-I286 VanDerWaalsContact C-N 3.34Å; H284-I286 PolarHBondContact O-N 3.42Å; I286-K289 PolarHBondContact O-N 3.48Å; I286-T290 HydrophobicContact CG2-CG2 4.43Å; I286-T290 WeakPolarHBondContact O-CB 3.46Å; I286-T290 WeakPolarHBondContact O-CG2 3.24Å; I286-T290 PolarHBondContact O-N 3.09Å; I286-T290 PolarHBondContact O-OG1 3.37Å; I286-I294 HydrophobicContact CB-CD1 4.35Å; I286-I294 HydrophobicContact CG2-CD1 4.07Å; I286-S327 VanDerWaalsContact CD1-O 3.24Å; I286-S327 WeakPolarHBondContact CD1-O 3.35Å
287	E	87.4	Confident	83.4	Confident	27 Å²	27	50.5 Å²	50.5	13%	0.126	24%	0.243	C	C	.	.	H	α-helix	trans	-56.9	-50.8	176	-71.8	-177.2	143.9	0	0	111.5	L283 H284 K289 T290 G291 C292 K293 I294	L283-E287 WeakPolarHBondContact O-CG 3.46Å; L283-E287 PolarHBondContact O-N 3.03Å; H284-E287 IonicContact ND1-OE2 2.68Å; H284-E287 PolarHBondContact ND1-OE2 3.38Å; H284-E287 WeakPolarHBondContact O-CB 3.3Å; H284-E287 PolarHBondContact O-N 3.28Å; E287-K289 PolarHBondContact O-N 3.48Å; E287-T290 PolarHBondContact O-N 2.86Å; E287-G291 WeakPolarHBondContact O-CA 3.48Å; E287-G291 PolarHBondContact O-N 2.91Å; E287-C292 VanDerWaalsContact CA-O 3.28Å; E287-C292 WeakPolarHBondContact CA-O 3.47Å; E287-C292 WeakPolarHBondContact CB-O 3.34Å; E287-C292 WeakPolarHBondContact CG-O 3.44Å; E287-C292 PolarHBondContact O-N 3.46Å; E287-K293 WeakPolarHBondContact OE1-CA 3.5Å; E287-I294 HydrophobicContact CG-CB 4.33Å; E287-I294 HydrophobicContact CG-CD1 4.08Å; E287-I294 HydrophobicContact CG-CG1 4.01Å; E287-I294 PolarHBondContact OE1-N 3.5Å
288	I	85.2	Confident	83.5	Confident	111 Å²	111	50 Å²	50	57%	0.569	24%	0.24	S	C	*	.	H	α-helix	trans	-60.5	-46.5	177.8	-67.3	167.6	0	0	0	110.9	H284 S285 T290	H284-I288 WeakPolarHBondContact NE2-CD1 3.41Å; H284-I288 WeakPolarHBondContact O-CG1 3.44Å; H284-I288 PolarHBondContact O-N 2.81Å; S285-I288 PolarHBondContact O-N 3.14Å; I288-T290 VanDerWaalsContact C-N 3.28Å; I288-T290 PolarHBondContact O-N 3.33Å
289	K	86.8	Confident	83.3	Confident	159 Å²	159	45 Å²	45	69%	0.691	23%	0.228	S	C	*	.	H	α-helix	trans	-64.4	-33.7	-176.6	-173.8	177.4	-179.3	-178.8	0	112.5	S285 I286 E287	S285-K289 VanDerWaalsContact O-CB 3.29Å; S285-K289 WeakPolarHBondContact O-CB 3.35Å; S285-K289 PolarHBondContact O-N 3.45Å; I286-K289 PolarHBondContact O-N 3.48Å; E287-K289 PolarHBondContact O-N 3.48Å
290	T	85.9	Confident	83.3	Confident	6 Å²	6	44.8 Å²	44.8	4%	0.037	23%	0.227	C	C	.	.	H	α-helix	trans	-103.4	-11.7	-173.9	59.5	0	0	0	0	113.9	I286 E287 I288 C292 Q320 Q323 C324	I286-T290 HydrophobicContact CG2-CG2 4.43Å; I286-T290 WeakPolarHBondContact O-CB 3.46Å; I286-T290 WeakPolarHBondContact O-CG2 3.24Å; I286-T290 PolarHBondContact O-N 3.09Å; I286-T290 PolarHBondContact O-OG1 3.37Å; E287-T290 PolarHBondContact O-N 2.86Å; I288-T290 VanDerWaalsContact C-N 3.28Å; I288-T290 PolarHBondContact O-N 3.33Å; T290-C292 PolarHBondContact O-N 3.4Å; T290-Q320 PolarHBondContact O-OE1 3.34Å; T290-Q323 HydrophobicContact CG2-CG 4.33Å; T290-C324 HydrophobicContact CG2-CB 4.11Å
291	G	84.7	Confident	83.3	Confident	18 Å²	18	44.3 Å²	44.3	19%	0.186	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	15.9	-172.7	0	0	0	0	0	113.4	M223 W255 E287	M223-G291 WeakPolarHBondContact CE-O 3.24Å; W255-G291 VanDerWaalsContact CH2-O 3.26Å; W255-G291 WeakPolarHBondContact CH2-O 3.28Å; E287-G291 WeakPolarHBondContact O-CA 3.48Å; E287-G291 PolarHBondContact O-N 2.91Å
292	C	88.5	Confident	83.2	Confident	6 Å²	6	40 Å²	40	4%	0.041	21%	0.212	C	C	.	.			trans	-101.4	166.7	179.7	-63.7	0	0	0	0	110.8	E287 T290 I313 D314 Q320 C324	E287-C292 VanDerWaalsContact CA-O 3.28Å; E287-C292 WeakPolarHBondContact CA-O 3.47Å; E287-C292 WeakPolarHBondContact CB-O 3.34Å; E287-C292 WeakPolarHBondContact CG-O 3.44Å; E287-C292 PolarHBondContact O-N 3.46Å; T290-C292 PolarHBondContact O-N 3.4Å; C292-I313 HydrophobicContact CB-CG2 3.94Å; C292-D314 CarbonylContact C-O 3.57Å; C292-D314 VanDerWaalsContact CA-O 3.28Å; C292-D314 WeakPolarHBondContact CA-O 3.39Å; C292-D314 WeakPolarHBondContact CB-O 3.13Å; C292-Q320 VanDerWaalsContact SG-C 3.58Å; C292-C324 HydrophobicContact CB-CB 3.87Å
293	K	88.5	Confident	82.8	Confident	73 Å²	73	36.3 Å²	36.3	32%	0.317	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125.8	174.9	-164	173.6	-170.1	172.6	0	109.8	W255 E287 L295 I313 D314	W255-K293 HydrophobicContact CZ3-CB 4.28Å; E287-K293 WeakPolarHBondContact OE1-CA 3.5Å; K293-L295 HydrophobicContact CD-CD1 4.49Å; K293-L295 HydrophobicContact CD-CD2 4.16Å; K293-L295 HydrophobicContact CD-CG 4.49Å; K293-L295 HydrophobicContact CG-CD2 4Å; K293-L295 HydrophobicContact CG-CG 4.13Å; K293-I313 WeakPolarHBondContact O-CA 3.47Å; K293-D314 HydrophobicContact CB-CB 4.4Å; K293-D314 PolarHBondContact N-O 3.16Å; K293-D314 PolarHBondContact O-N 3.46Å
294	I	88.4	Confident	82.5	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	124.5	-178.9	-59.2	167.5	0	0	0	108	L283 I286 E287 F311 L328	L283-I294 HydrophobicContact CB-CD1 4.49Å; L283-I294 HydrophobicContact CD2-CD1 3.87Å; I286-I294 HydrophobicContact CB-CD1 4.35Å; I286-I294 HydrophobicContact CG2-CD1 4.07Å; E287-I294 HydrophobicContact CG-CB 4.33Å; E287-I294 HydrophobicContact CG-CD1 4.08Å; E287-I294 HydrophobicContact CG-CG1 4.01Å; E287-I294 PolarHBondContact OE1-N 3.5Å; I294-F311 HydrophobicContact CG2-CE1 4.21Å; I294-F311 HydrophobicContact CG2-CE2 3.82Å; I294-F311 HydrophobicContact CG2-CZ 3.41Å; I294-F311 VanDerWaalsContact CG2-CZ 3.41Å; I294-L328 HydrophobicContact CD1-CD2 3.79Å
295	L	86.3	Confident	82.1	Confident	8 Å²	8	42.8 Å²	42.8	4%	0.042	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135.3	-172.2	-61.3	174.1	0	0	0	111.1	W197 K293 V312 D314	W197-L295 HydrophobicContact CB-CD2 4.16Å; W197-L295 HydrophobicContact CD2-CB 3.74Å; W197-L295 HydrophobicContact CD2-CD1 4.13Å; W197-L295 HydrophobicContact CD2-CG 4.38Å; W197-L295 HydrophobicContact CE3-CB 3.38Å; W197-L295 HydrophobicContact CE3-CG 4.47Å; W197-L295 HydrophobicContact CG-CB 4.25Å; W197-L295 HydrophobicContact CG-CD1 4.35Å; W197-L295 HydrophobicContact CG-CD2 4.21Å; W197-L295 HydrophobicContact CZ3-CB 3.8Å; K293-L295 HydrophobicContact CD-CD1 4.49Å; K293-L295 HydrophobicContact CD-CD2 4.16Å; K293-L295 HydrophobicContact CD-CG 4.49Å; K293-L295 HydrophobicContact CG-CD2 4Å; K293-L295 HydrophobicContact CG-CG 4.13Å; L295-V312 HydrophobicContact CB-CB 4.35Å; L295-V312 PolarHBondContact N-O 3.3Å; L295-V312 PolarHBondContact O-N 3.19Å; L295-D314 WeakPolarHBondContact CD1-OD2 3.29Å
296	I	85.5	Confident	81.9	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.3	172.1	-57.3	-167.1	0	0	0	109.5	W197 F198 F272 F276 K298 R309 K310 F311 F332	W197-I296 CarbonylContact C-O 3.47Å; W197-I296 WeakPolarHBondContact CA-O 3.25Å; F198-I296 HydrophobicContact CD2-CB 4.18Å; F198-I296 HydrophobicContact CD2-CG2 4.02Å; F198-I296 PolarHBondContact N-O 2.96Å; F272-I296 HydrophobicContact CE1-CD1 3.57Å; F272-I296 HydrophobicContact CZ-CD1 3.72Å; F276-I296 HydrophobicContact CD2-CD1 3.43Å; F276-I296 VanDerWaalsContact CD2-CD1 3.43Å; F276-I296 HydrophobicContact CD2-CG1 4.43Å; F276-I296 HydrophobicContact CE1-CD1 4.42Å; F276-I296 HydrophobicContact CE2-CD1 3.12Å; F276-I296 HydrophobicContact CE2-CG1 3.68Å; F276-I296 HydrophobicContact CG-CD1 4.2Å; F276-I296 HydrophobicContact CZ-CB 4.28Å; F276-I296 HydrophobicContact CZ-CD1 3.66Å; F276-I296 HydrophobicContact CZ-CG1 3.79Å; I296-K298 PolarHBondContact O-N 3.35Å; I296-R309 HydrophobicContact CG2-CB 4.49Å; I296-K310 WeakPolarHBondContact CA-O 3.3Å; I296-F311 HydrophobicContact CD1-CD2 3.59Å; I296-F311 HydrophobicContact CD1-CE2 3.82Å; I296-F311 HydrophobicContact CG1-CD2 3.52Å; I296-F311 HydrophobicContact CG1-CE2 3.86Å; I296-F332 HydrophobicContact CD1-CE1 4.27Å
297	S	81.6	Confident	81.7	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-67.1	132.7	-179.5	63.3	0	0	0	0	111.4	E196 G299 R309 K310	E196-S297 CarbonylContact O-C 3.51Å; E196-S297 WeakPolarHBondContact O-CA 3.37Å; S297-G299 VanDerWaalsContact C-N 3.32Å; S297-G299 WeakPolarHBondContact CB-O 3.44Å; S297-G299 PolarHBondContact OG-O 3.28Å; S297-R309 PolarHBondContact O-NH1 3.14Å; S297-K310 PolarHBondContact N-O 3.5Å; S297-K310 PolarHBondContact OG-N 3.09Å
298	K	75.6	Confident	81.5	Confident	61 Å²	61	44.4 Å²	44.4	27%	0.265	24%	0.243	S	C	.	.	S	Bend	trans	-66.9	-37.6	164.6	-67	-166.4	-170.7	174.2	0	110.4	E196 W197 F198 E202 I296 R309	E196-K298 HydrophobicContact CB-CB 3.88Å; E196-K298 HydrophobicContact CB-CD 4.01Å; E196-K298 HydrophobicContact CB-CG 4.1Å; E196-K298 PolarHBondContact O-N 3.34Å; W197-K298 WeakPolarHBondContact O-CE 3.32Å; F198-K298 HydrophobicContact CD1-CG 4.01Å; F198-K298 HydrophobicContact CD2-CG 4.2Å; F198-K298 HydrophobicContact CE1-CG 4.09Å; F198-K298 HydrophobicContact CE2-CB 4.5Å; F198-K298 HydrophobicContact CE2-CG 4.29Å; F198-K298 HydrophobicContact CG-CG 4.07Å; F198-K298 HydrophobicContact CZ-CG 4.23Å; E202-K298 IonicContact OE1-NZ 3.88Å; E202-K298 PolarHBondContact OE1-NZ 3.42Å; E202-K298 IonicContact OE2-NZ 3.52Å; I296-K298 PolarHBondContact O-N 3.35Å; K298-R309 PolarHBondContact O-NH1 3.26Å
299	G	72.4	Confident	81.5	Confident	34 Å²	34	40 Å²	40	35%	0.351	22%	0.219	S	C	.	.	S	Bend	trans	-71.9	155.7	172.5	0	0	0	0	0	113	S297	S297-G299 VanDerWaalsContact C-N 3.32Å; S297-G299 WeakPolarHBondContact CB-O 3.44Å; S297-G299 PolarHBondContact OG-O 3.28Å
300	L	79.7	Confident	81.4	Confident	38 Å²	38	33.5 Å²	33.5	20%	0.199	19%	0.191	C	C	.	.			trans	-114.7	154.9	175.7	-68.2	163.3	0	0	0	110.6	W174 Q264 R309	W174-L300 HydrophobicContact CD2-CB 4.42Å; W174-L300 HydrophobicContact CE3-CB 3.28Å; W174-L300 HydrophobicContact CE3-CD1 4.48Å; W174-L300 HydrophobicContact CE3-CG 4.44Å; W174-L300 HydrophobicContact CH2-CB 3.68Å; W174-L300 HydrophobicContact CH2-CD1 3.22Å; W174-L300 HydrophobicContact CH2-CG 4.03Å; W174-L300 HydrophobicContact CZ2-CD1 4.37Å; W174-L300 HydrophobicContact CZ3-CB 2.9Å; W174-L300 HydrophobicContact CZ3-CD1 3.34Å; W174-L300 HydrophobicContact CZ3-CD2 4.35Å; W174-L300 HydrophobicContact CZ3-CG 3.63Å; Q264-L300 HydrophobicContact CB-CD2 3.96Å; Q264-L300 HydrophobicContact CG-CD1 4.35Å; Q264-L300 HydrophobicContact CG-CD2 3.77Å; Q264-L300 VanDerWaalsContact OE1-CD2 3.26Å; L300-R309 HydrophobicContact CD2-CG 3.34Å; L300-R309 HydrophobicContact CG-CG 4.42Å
301	F	78.9	Confident	81.5	Confident	16 Å²	16	33.2 Å²	33.2	7%	0.07	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	158.6	-173.1	-56.2	-98.2	0	0	0	110.9	P175 I177 I195 L307 I308 K310	P175-F301 HydrophobicContact CB-CD1 4.16Å; P175-F301 HydrophobicContact CB-CE1 4.45Å; P175-F301 HydrophobicContact CG-CD1 3.61Å; P175-F301 HydrophobicContact CG-CE1 3.73Å; I177-F301 HydrophobicContact CD1-CB 3.33Å; I177-F301 HydrophobicContact CD1-CD1 3.63Å; I177-F301 HydrophobicContact CD1-CD2 4.23Å; I177-F301 HydrophobicContact CD1-CG 3.48Å; I177-F301 VanDerWaalsContact CD1-CG 3.48Å; I177-F301 HydrophobicContact CG1-CB 3.98Å; I177-F301 HydrophobicContact CG1-CD1 3.9Å; I177-F301 HydrophobicContact CG1-CG 4.18Å; I195-F301 HydrophobicContact CD1-CZ 3.93Å; I195-F301 HydrophobicContact CG1-CZ 4.12Å; I195-F301 HydrophobicContact CG2-CZ 4.31Å; F301-L307 CarbonylContact O-C 3.56Å; F301-L307 WeakPolarHBondContact O-CA 3.38Å; F301-I308 HydrophobicContact CB-CD1 4.48Å; F301-I308 HydrophobicContact CB-CG1 4.02Å; F301-I308 PolarHBondContact N-O 2.91Å; F301-I308 WeakPolarHBondContact O-CG1 3.41Å; F301-I308 PolarHBondContact O-N 3.3Å; F301-K310 HydrophobicContact CD2-CD 4.48Å; F301-K310 HydrophobicContact CD2-CG 3.88Å; F301-K310 HydrophobicContact CE2-CB 4.49Å; F301-K310 HydrophobicContact CE2-CD 4.08Å; F301-K310 HydrophobicContact CE2-CG 3.77Å; F301-K310 HydrophobicContact CZ-CD 4.16Å; F301-K310 HydrophobicContact CZ-CG 4.36Å
302	I	74.6	Confident	81.6	Confident	48 Å²	48	32.4 Å²	32.4	25%	0.246	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	128.8	173	-67.5	170.4	0	0	0	109.3	W174 P175 L176 I177 N306 L307	W174-I302 HydrophobicContact CB-CD1 3.72Å; W174-I302 HydrophobicContact CB-CG1 3.75Å; W174-I302 HydrophobicContact CG-CD1 4.37Å; W174-I302 HydrophobicContact CG-CG1 4.46Å; P175-I302 PolarHBondContact O-N 3.04Å; L176-I302 HydrophobicContact CD2-CG2 4.47Å; I177-I302 PolarHBondContact N-O 3.24Å; I302-N306 WeakPolarHBondContact CA-O 3.36Å; I302-L307 HydrophobicContact CG1-CD2 3.82Å
303	Y	74.7	Confident	81.7	Confident	8 Å²	8	32.1 Å²	32.1	3%	0.031	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	123	172.4	176.6	-102	0	0	0	109.8	T179 L182 F261 G305 N306 I308 E339	T179-Y303 HydrophobicContact CG2-CE2 3.81Å; L182-Y303 HydrophobicContact CD1-CE2 4.47Å; F261-Y303 HydrophobicContact CD2-CG 4.45Å; F261-Y303 HydrophobicContact CE2-CD2 4.24Å; F261-Y303 HydrophobicContact CE2-CE2 4.4Å; Y303-G305 PolarHBondContact O-N 3.31Å; Y303-N306 PolarHBondContact N-O 3.09Å; Y303-N306 PolarHBondContact O-N 3.33Å; Y303-I308 HydrophobicContact CG-CD1 4.13Å; Y303-E339 VanDerWaalsContact CE1-OE2 3.28Å; Y303-E339 WeakPolarHBondContact CE1-OE2 3.36Å; Y303-E339 PolarHBondContact OH-OE2 3.08Å
304	K	77.1	Confident	81.7	Confident	129 Å²	129	28.8 Å²	28.8	56%	0.561	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.4	42.5	-175.9	-63.6	-179.1	175.3	172.7	0	113.4	N306 E339	K304-N306 PolarHBondContact O-N 2.98Å; K304-E339 IonicContact NZ-OE1 2.73Å; K304-E339 PolarHBondContact NZ-OE1 2.9Å; K304-E339 IonicContact NZ-OE2 2.91Å; K304-E339 PolarHBondContact NZ-OE2 3.4Å
305	G	73.6	Confident	81.7	Confident	70 Å²	70	28.7 Å²	28.7	72%	0.722	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.1	-1.2	-179.7	0	0	0	0	0	115.5	Y303	Y303-G305 PolarHBondContact O-N 3.31Å
306	N	78.1	Confident	81.7	Confident	77 Å²	77	30.6 Å²	30.6	41%	0.412	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	148.7	179.3	-67.5	-50.6	0	0	0	111.7	Y263 I302 Y303 K304	Y263-N306 HydrophobicContact CD1-CB 3.77Å; Y263-N306 HydrophobicContact CE1-CB 3.54Å; I302-N306 WeakPolarHBondContact CA-O 3.36Å; Y303-N306 PolarHBondContact N-O 3.09Å; Y303-N306 PolarHBondContact O-N 3.33Å; K304-N306 PolarHBondContact O-N 2.98Å
307	L	82.1	Confident	81.8	Confident	67 Å²	67	33.8 Å²	33.8	35%	0.351	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	129.5	172.7	-63.7	-177.8	0	0	0	110.7	W174 Q264 F301 I302	W174-L307 HydrophobicContact CD2-CD2 3.92Å; W174-L307 HydrophobicContact CE3-CD1 4.47Å; W174-L307 HydrophobicContact CE3-CD2 3.23Å; W174-L307 HydrophobicContact CE3-CG 4.33Å; W174-L307 HydrophobicContact CH2-CD1 3.68Å; W174-L307 HydrophobicContact CH2-CD2 4.01Å; W174-L307 HydrophobicContact CH2-CG 4.4Å; W174-L307 HydrophobicContact CZ3-CB 4.19Å; W174-L307 HydrophobicContact CZ3-CD1 3.58Å; W174-L307 HydrophobicContact CZ3-CD2 3.18Å; W174-L307 HydrophobicContact CZ3-CG 3.8Å; Q264-L307 HydrophobicContact CB-CB 3.92Å; Q264-L307 WeakPolarHBondContact CB-O 3.47Å; Q264-L307 PolarHBondContact N-O 3.17Å; F301-L307 CarbonylContact O-C 3.56Å; F301-L307 WeakPolarHBondContact O-CA 3.38Å; I302-L307 HydrophobicContact CG1-CD2 3.82Å
308	I	82.8	Confident	82.1	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	153.1	-179.6	59.9	155.3	0	0	0	111.9	I177 F261 I262 Y263 F301 Y303 I337	I177-I308 HydrophobicContact CD1-CD1 3.91Å; F261-I308 HydrophobicContact CB-CB 4.39Å; F261-I308 HydrophobicContact CB-CD1 3.74Å; F261-I308 HydrophobicContact CD1-CD1 3.56Å; F261-I308 HydrophobicContact CD2-CD1 3.6Å; F261-I308 HydrophobicContact CE1-CD1 4.11Å; F261-I308 HydrophobicContact CE2-CD1 4.08Å; F261-I308 HydrophobicContact CG-CD1 3.34Å; F261-I308 HydrophobicContact CZ-CD1 4.37Å; I262-I308 CarbonylContact O-C 3.58Å; I262-I308 WeakPolarHBondContact O-CA 3.35Å; Y263-I308 HydrophobicContact CD1-CG2 3.62Å; Y263-I308 HydrophobicContact CE1-CG2 3.91Å; F301-I308 HydrophobicContact CB-CD1 4.48Å; F301-I308 HydrophobicContact CB-CG1 4.02Å; F301-I308 PolarHBondContact N-O 2.91Å; F301-I308 WeakPolarHBondContact O-CG1 3.41Å; F301-I308 PolarHBondContact O-N 3.3Å; Y303-I308 HydrophobicContact CG-CD1 4.13Å; I308-I337 HydrophobicContact CG2-CD1 3.75Å
309	R	85.3	Confident	82.7	Confident	19 Å²	19	44.5 Å²	44.5	7%	0.072	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	147.7	161.5	-73.4	-172.2	-173.3	-92.4	-4	110	F261 I262 L267 I296 S297 K298 L300	F261-R309 WeakPolarHBondContact CA-O 3.49Å; I262-R309 PolarHBondContact N-O 3.25Å; I262-R309 PolarHBondContact O-N 3.09Å; L267-R309 HydrophobicContact CD1-CB 4.18Å; L267-R309 HydrophobicContact CD1-CG 4.06Å; I296-R309 HydrophobicContact CG2-CB 4.49Å; S297-R309 PolarHBondContact O-NH1 3.14Å; K298-R309 PolarHBondContact O-NH1 3.26Å; L300-R309 HydrophobicContact CD2-CG 3.34Å; L300-R309 HydrophobicContact CG-CG 4.42Å
310	K	84.8	Confident	83.5	Confident	23 Å²	23	44.5 Å²	44.5	10%	0.1	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	130.6	168	-62.4	-167.1	-174.6	176.4	0	109	I177 I195 W197 T259 F261 I296 S297 F301 V312	I177-K310 HydrophobicContact CD1-CD 4.38Å; I177-K310 HydrophobicContact CD1-CG 4.27Å; I195-K310 HydrophobicContact CD1-CD 3.85Å; W197-K310 HydrophobicContact CH2-CB 4.5Å; W197-K310 HydrophobicContact CZ3-CB 4.43Å; T259-K310 HydrophobicContact CG2-CD 4.43Å; F261-K310 HydrophobicContact CD1-CG 4.09Å; F261-K310 HydrophobicContact CE1-CD 4.36Å; F261-K310 HydrophobicContact CE1-CG 3.9Å; I296-K310 WeakPolarHBondContact CA-O 3.3Å; S297-K310 PolarHBondContact N-O 3.5Å; S297-K310 PolarHBondContact OG-N 3.09Å; F301-K310 HydrophobicContact CD2-CD 4.48Å; F301-K310 HydrophobicContact CD2-CG 3.88Å; F301-K310 HydrophobicContact CE2-CB 4.49Å; F301-K310 HydrophobicContact CE2-CD 4.08Å; F301-K310 HydrophobicContact CE2-CG 3.77Å; F301-K310 HydrophobicContact CZ-CD 4.16Å; F301-K310 HydrophobicContact CZ-CG 4.36Å; K310-V312 HydrophobicContact CB-CG2 4.31Å
311	F	87.7	Confident	83.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.9	167.8	-176	-80.4	0	0	0	107.1	M260 I262 I294 I296 I313 L328 F332 L336	M260-F311 CarbonylContact C-O 3.56Å; M260-F311 WeakPolarHBondContact CA-O 3.32Å; M260-F311 HydrophobicContact CE-CD1 3.42Å; M260-F311 VanDerWaalsContact CE-CD1 3.42Å; M260-F311 HydrophobicContact CE-CE1 3.65Å; M260-F311 PolarHBondContact N-O 2.92Å; M260-F311 PolarHBondContact O-N 3.04Å; I262-F311 HydrophobicContact CD1-CB 3.88Å; I262-F311 HydrophobicContact CD1-CD2 3.93Å; I262-F311 HydrophobicContact CD1-CG 4.16Å; I262-F311 HydrophobicContact CG1-CB 4.13Å; I294-F311 HydrophobicContact CG2-CE1 4.21Å; I294-F311 HydrophobicContact CG2-CE2 3.82Å; I294-F311 HydrophobicContact CG2-CZ 3.41Å; I294-F311 VanDerWaalsContact CG2-CZ 3.41Å; I296-F311 HydrophobicContact CD1-CD2 3.59Å; I296-F311 HydrophobicContact CD1-CE2 3.82Å; I296-F311 HydrophobicContact CG1-CD2 3.52Å; I296-F311 HydrophobicContact CG1-CE2 3.86Å; F311-I313 HydrophobicContact CE1-CD1 4.29Å; F311-I313 HydrophobicContact CE1-CG1 3.93Å; F311-L328 HydrophobicContact CE1-CD1 3.81Å; F311-L328 HydrophobicContact CZ-CD1 3.87Å; F311-L328 HydrophobicContact CZ-CD2 4.16Å; F311-F332 HydrophobicContact CD2-CD1 4.1Å; F311-F332 HydrophobicContact CD2-CE1 4.3Å; F311-F332 AromaticContact CE2-CD1 3.41Å; F311-F332 HydrophobicContact CE2-CD1 3.41Å; F311-F332 VanDerWaalsContact CE2-CD1 3.41Å; F311-F332 AromaticContact CE2-CE1 3.52Å; F311-F332 HydrophobicContact CE2-CE1 3.52Å; F311-F332 AromaticContact CZ-CD1 3.88Å; F311-F332 HydrophobicContact CZ-CD1 3.88Å; F311-F332 HydrophobicContact CZ-CE1 4.24Å; F311-L336 HydrophobicContact CB-CD2 3.92Å; F311-L336 HydrophobicContact CD1-CD2 4.02Å; F311-L336 HydrophobicContact CG-CD2 3.99Å
312	V	87.6	Confident	84.3	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.4	-169.2	176.1	0	0	0	0	110.6	W197 R257 Y258 T259 L295 K310 D314	W197-V312 HydrophobicContact CH2-CB 3.98Å; W197-V312 HydrophobicContact CH2-CG2 3.51Å; W197-V312 HydrophobicContact CZ3-CB 4.08Å; W197-V312 HydrophobicContact CZ3-CG2 3.86Å; R257-V312 HydrophobicContact CG-CG1 3.52Å; Y258-V312 WeakPolarHBondContact O-CA 3.44Å; T259-V312 HydrophobicContact CG2-CG2 4.09Å; L295-V312 HydrophobicContact CB-CB 4.35Å; L295-V312 PolarHBondContact N-O 3.3Å; L295-V312 PolarHBondContact O-N 3.19Å; K310-V312 HydrophobicContact CB-CG2 4.31Å; V312-D314 WeakPolarHBondContact CG1-OD1 3.13Å
313	I	89.7	Confident	85	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	112.7	167.9	-53.9	175.7	0	0	0	107.6	Y258 M260 C292 K293 F311 I321 C324 Y325 L328	Y258-I313 PolarHBondContact N-O 2.71Å; Y258-I313 PolarHBondContact O-N 3.29Å; M260-I313 HydrophobicContact CE-CD1 3.77Å; M260-I313 HydrophobicContact CE-CG1 3.96Å; C292-I313 HydrophobicContact CB-CG2 3.94Å; K293-I313 WeakPolarHBondContact O-CA 3.47Å; F311-I313 HydrophobicContact CE1-CD1 4.29Å; F311-I313 HydrophobicContact CE1-CG1 3.93Å; I313-I321 HydrophobicContact CB-CG2 4.12Å; I313-I321 HydrophobicContact CG2-CB 4.44Å; I313-I321 HydrophobicContact CG2-CG1 4.35Å; I313-I321 HydrophobicContact CG2-CG2 3.96Å; I313-C324 HydrophobicContact CG2-CB 3.99Å; I313-Y325 HydrophobicContact CD1-CD2 4.36Å; I313-L328 HydrophobicContact CD1-CD1 4.13Å
314	D	88.6	Confident	85.7	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.011	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.1	172.5	-66.8	-20	0	0	0	108.7	L187 W255 L256 R257 C292 K293 L295 V312	L187-D314 HydrophobicContact CD1-CB 4.08Å; W255-D314 HydrophobicContact CE3-CB 3.98Å; W255-D314 HydrophobicContact CZ3-CB 4.37Å; W255-D314 WeakPolarHBondContact CZ3-O 3.37Å; L256-D314 CarbonylContact O-C 3.51Å; L256-D314 WeakPolarHBondContact O-CA 3.39Å; R257-D314 WeakPolarHBondContact CA-OD1 3.45Å; R257-D314 WeakPolarHBondContact CB-OD1 3.39Å; R257-D314 VanDerWaalsContact CG-OD1 3.26Å; R257-D314 WeakPolarHBondContact CG-OD1 3.44Å; R257-D314 IonicContact CZ-OD1 3.63Å; R257-D314 IonicContact CZ-OD2 3.55Å; R257-D314 IonicContact NE-OD1 2.78Å; R257-D314 PolarHBondContact NE-OD1 3.5Å; R257-D314 IonicContact NE-OD2 3.49Å; R257-D314 PolarHBondContact NE-OD2 2.89Å; R257-D314 IonicContact NH2-OD1 3.61Å; R257-D314 IonicContact NH2-OD2 2.76Å; R257-D314 PolarHBondContact NH2-OD2 3.27Å; C292-D314 CarbonylContact C-O 3.57Å; C292-D314 VanDerWaalsContact CA-O 3.28Å; C292-D314 WeakPolarHBondContact CA-O 3.39Å; C292-D314 WeakPolarHBondContact CB-O 3.13Å; K293-D314 HydrophobicContact CB-CB 4.4Å; K293-D314 PolarHBondContact N-O 3.16Å; K293-D314 PolarHBondContact O-N 3.46Å; L295-D314 WeakPolarHBondContact CD1-OD2 3.29Å; V312-D314 WeakPolarHBondContact CG1-OD1 3.13Å
315	G	88.5	Confident	86.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	166.3	179.3	0	0	0	0	0	112.2	W255 L256 N317	W255-G315 CarbonylContact C-O 3.52Å; W255-G315 WeakPolarHBondContact CA-O 3.35Å; W255-G315 WeakPolarHBondContact CB-O 3.44Å; W255-G315 VanDerWaalsContact CE3-CA 3.44Å; L256-G315 PolarHBondContact N-O 3.21Å; L256-G315 PolarHBondContact O-N 3.43Å; L256-G315 VanDerWaalsContact O-O 3.11Å; G315-N317 PolarHBondContact O-N 3.34Å
316	P	86.7	Confident	86.9	Confident	49 Å²	49	41.2 Å²	41.2	32%	0.318	21%	0.208	S	C	.	.	S	Bend	trans	-76.5	-22.7	-171.6	31.1	-37.2	0	0	0	113.7
317	N	88.3	Confident	87.5	Confident	67 Å²	67	39.8 Å²	39.8	36%	0.358	20%	0.203	S	C	.	.	S	Bend	trans	-149.8	162.6	176.3	64.2	58	0	0	0	112.3	G315 K319 Q320 I321	G315-N317 PolarHBondContact O-N 3.34Å; N317-K319 VanDerWaalsContact C-N 3.29Å; N317-K319 PolarHBondContact O-N 3Å; N317-K319 WeakPolarHBondContact OD1-CB 3.45Å; N317-K319 PolarHBondContact OD1-N 3.07Å; N317-Q320 PolarHBondContact O-N 3.18Å; N317-Q320 PolarHBondContact OD1-N 2.77Å; N317-I321 WeakPolarHBondContact O-CG1 3.49Å; N317-I321 PolarHBondContact O-N 3.41Å
318	K	86.9	Confident	87.7	Confident	121 Å²	121	37 Å²	37	53%	0.526	19%	0.189	S	C	.	.	H	α-helix	trans	-57.7	-39.7	-178.8	-68.6	-172.8	178.1	177.2	0	112.6	F184 L256 Q320 I321 L322	F184-K318 HydrophobicContact CD1-CG 3.96Å; F184-K318 HydrophobicContact CD2-CD 4.38Å; F184-K318 HydrophobicContact CD2-CG 4.49Å; F184-K318 HydrophobicContact CE1-CB 4.13Å; F184-K318 HydrophobicContact CE1-CG 3.87Å; F184-K318 HydrophobicContact CE2-CD 4.43Å; F184-K318 HydrophobicContact CE2-CG 4.41Å; F184-K318 HydrophobicContact CG-CD 4.49Å; F184-K318 HydrophobicContact CG-CG 4.26Å; F184-K318 HydrophobicContact CZ-CB 4.17Å; F184-K318 HydrophobicContact CZ-CG 4.11Å; L256-K318 HydrophobicContact CD1-CG 3.61Å; K318-Q320 PolarHBondContact O-N 3.44Å; K318-I321 PolarHBondContact O-N 2.99Å; K318-L322 WeakPolarHBondContact O-CB 3.45Å; K318-L322 VanDerWaalsContact O-CG 3.25Å; K318-L322 WeakPolarHBondContact O-CG 3.38Å; K318-L322 PolarHBondContact O-N 3.41Å
319	K	89.1	Confident	87.9	Confident	165 Å²	165	38.3 Å²	38.3	72%	0.717	20%	0.197	S	C	*	.	H	α-helix	trans	-63.6	-42.7	-177	-173.9	178.1	178.8	177.8	0	112.1	N317 L322 Q323	N317-K319 VanDerWaalsContact C-N 3.29Å; N317-K319 PolarHBondContact O-N 3Å; N317-K319 WeakPolarHBondContact OD1-CB 3.45Å; N317-K319 PolarHBondContact OD1-N 3.07Å; K319-L322 WeakPolarHBondContact O-CB 3.49Å; K319-L322 PolarHBondContact O-N 3.3Å; K319-Q323 WeakPolarHBondContact O-CB 3.35Å; K319-Q323 PolarHBondContact O-N 3.48Å
320	Q	89	Confident	87.8	Confident	35 Å²	35	44.1 Å²	44.1	16%	0.164	23%	0.225	C	C	.	.	H	α-helix	trans	-70	-40.2	177.2	-74.7	-175.3	-7.6	0	0	112	T290 C292 N317 K318 L322 Q323 C324	T290-Q320 PolarHBondContact O-OE1 3.34Å; C292-Q320 VanDerWaalsContact SG-C 3.58Å; N317-Q320 PolarHBondContact O-N 3.18Å; N317-Q320 PolarHBondContact OD1-N 2.77Å; K318-Q320 PolarHBondContact O-N 3.44Å; Q320-L322 VanDerWaalsContact C-N 3.3Å; Q320-L322 PolarHBondContact O-N 2.98Å; Q320-Q323 PolarHBondContact O-N 3.24Å; Q320-C324 WeakPolarHBondContact O-CB 3.22Å; Q320-C324 PolarHBondContact O-N 3.45Å
321	I	87.8	Confident	87.8	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-61.3	-42.5	174.8	-67.8	168.2	0	0	0	110.9	F184 L256 Y258 I313 N317 K318 C324 Y325	F184-I321 HydrophobicContact CD1-CD1 4.17Å; F184-I321 HydrophobicContact CE1-CB 3.93Å; F184-I321 HydrophobicContact CE1-CD1 3.83Å; F184-I321 HydrophobicContact CE1-CG1 4.5Å; F184-I321 HydrophobicContact CE1-CG2 3.67Å; F184-I321 HydrophobicContact CZ-CG2 4.17Å; L256-I321 HydrophobicContact CB-CD1 3.59Å; L256-I321 VanDerWaalsContact O-CD1 3.31Å; L256-I321 WeakPolarHBondContact O-CD1 3.32Å; Y258-I321 HydrophobicContact CD1-CG2 4.33Å; Y258-I321 HydrophobicContact CG-CG2 4.15Å; I313-I321 HydrophobicContact CB-CG2 4.12Å; I313-I321 HydrophobicContact CG2-CB 4.44Å; I313-I321 HydrophobicContact CG2-CG1 4.35Å; I313-I321 HydrophobicContact CG2-CG2 3.96Å; N317-I321 WeakPolarHBondContact O-CG1 3.49Å; N317-I321 PolarHBondContact O-N 3.41Å; K318-I321 PolarHBondContact O-N 2.99Å; I321-C324 WeakPolarHBondContact O-CB 3.48Å; I321-C324 PolarHBondContact O-N 3.26Å; I321-Y325 WeakPolarHBondContact O-CB 3.48Å; I321-Y325 PolarHBondContact O-N 3Å
322	L	87.6	Confident	87.6	Confident	28 Å²	28	45.4 Å²	45.4	15%	0.147	23%	0.233	C	C	.	.	H	α-helix	trans	-59.8	-45.4	173.8	-81.5	174.3	0	0	0	112.3	K318 K319 Q320 C324 Y325 S326 P343	K318-L322 WeakPolarHBondContact O-CB 3.45Å; K318-L322 VanDerWaalsContact O-CG 3.25Å; K318-L322 WeakPolarHBondContact O-CG 3.38Å; K318-L322 PolarHBondContact O-N 3.41Å; K319-L322 WeakPolarHBondContact O-CB 3.49Å; K319-L322 PolarHBondContact O-N 3.3Å; Q320-L322 VanDerWaalsContact C-N 3.3Å; Q320-L322 PolarHBondContact O-N 2.98Å; L322-C324 VanDerWaalsContact C-N 3.33Å; L322-C324 PolarHBondContact O-N 2.97Å; L322-Y325 PolarHBondContact O-N 3.45Å; L322-S326 PolarHBondContact O-N 2.89Å; L322-S326 PolarHBondContact O-OG 2.83Å; L322-S326 VanDerWaalsContact O-OG 3.1Å; L322-P343 HydrophobicContact CD2-CB 3.26Å; L322-P343 HydrophobicContact CD2-CG 3.29Å; L322-P343 WeakPolarHBondContact CD2-O 3.39Å; L322-P343 HydrophobicContact CG-CB 4.37Å
323	Q	89.2	Confident	87.4	Confident	98 Å²	98	47.7 Å²	47.7	46%	0.458	24%	0.243	S	C	.	.	H	α-helix	trans	-64.6	-39	177.1	-171.5	176.6	0.7	0	0	111.8	T290 K319 Q320 S327	T290-Q323 HydrophobicContact CG2-CG 4.33Å; K319-Q323 WeakPolarHBondContact O-CB 3.35Å; K319-Q323 PolarHBondContact O-N 3.48Å; Q320-Q323 PolarHBondContact O-N 3.24Å; Q323-S327 WeakPolarHBondContact O-CB 3.27Å; Q323-S327 PolarHBondContact O-N 2.91Å; Q323-S327 VanDerWaalsContact O-N 3.12Å; Q323-S327 PolarHBondContact O-OG 2.98Å
324	C	89.5	Confident	87.1	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.1	-49.5	174.4	-173.2	0	0	0	0	111.2	T290 C292 I313 Q320 I321 L322 S326 S327 L328	T290-C324 HydrophobicContact CG2-CB 4.11Å; C292-C324 HydrophobicContact CB-CB 3.87Å; I313-C324 HydrophobicContact CG2-CB 3.99Å; Q320-C324 WeakPolarHBondContact O-CB 3.22Å; Q320-C324 PolarHBondContact O-N 3.45Å; I321-C324 WeakPolarHBondContact O-CB 3.48Å; I321-C324 PolarHBondContact O-N 3.26Å; L322-C324 VanDerWaalsContact C-N 3.33Å; L322-C324 PolarHBondContact O-N 2.97Å; C324-S326 PolarHBondContact O-N 3.12Å; C324-S327 PolarHBondContact O-N 3.44Å; C324-L328 PolarHBondContact O-N 2.92Å
325	Y	89.1	Confident	86.8	Confident	25 Å²	25	55.2 Å²	55.2	10%	0.098	27%	0.273	C	S	.	.	H	α-helix	trans	-54.3	-52.5	175.8	174.3	-98.1	0	0	0	111.3	Y258 M260 I313 I321 L322 S327 L328 H333 L336 P343	Y258-Y325 HydrophobicContact CE1-CD2 4.3Å; M260-Y325 HydrophobicContact CE-CD2 3.87Å; M260-Y325 HydrophobicContact CE-CE2 4.26Å; M260-Y325 HydrophobicContact SD-CD2 3.76Å; M260-Y325 HydrophobicContact SD-CE2 3.56Å; M260-Y325 VanDerWaalsContact SD-CE2 3.56Å; I313-Y325 HydrophobicContact CD1-CD2 4.36Å; I321-Y325 WeakPolarHBondContact O-CB 3.48Å; I321-Y325 PolarHBondContact O-N 3Å; L322-Y325 PolarHBondContact O-N 3.45Å; Y325-S327 PolarHBondContact O-N 3.31Å; Y325-L328 HydrophobicContact CD2-CD1 4.26Å; Y325-L328 WeakPolarHBondContact O-CB 3.5Å; Y325-L328 WeakPolarHBondContact O-CG 3.49Å; Y325-L328 PolarHBondContact O-N 3.4Å; Y325-L328 VanDerWaalsContact O-N 3.1Å; Y325-H333 AromaticContact CE1-CE1 3.71Å; Y325-H333 AromaticContact CE1-ND1 3.98Å; Y325-H333 AromaticContact CE2-CE1 3.85Å; Y325-H333 AromaticContact CE2-ND1 3.79Å; Y325-H333 AromaticContact CZ-CE1 3.6Å; Y325-H333 AromaticContact CZ-ND1 3.46Å; Y325-H333 PolarHBondContact O-CE1 2.73Å; Y325-H333 PolarHBondContact O-NE2 3.12Å; Y325-H333 PolarHBondContact OH-ND1 3.24Å; Y325-L336 HydrophobicContact CE2-CD1 3.95Å; Y325-P343 HydrophobicContact CD1-CG 4.3Å
326	S	87.6	Confident	86.5	Confident	88 Å²	88	55.6 Å²	55.6	62%	0.615	27%	0.274	S	S	*	.	H	α-helix	trans	-65.9	-16.4	179.5	-59.4	0	0	0	0	114.3	L322 C324	L322-S326 PolarHBondContact O-N 2.89Å; L322-S326 PolarHBondContact O-OG 2.83Å; L322-S326 VanDerWaalsContact O-OG 3.1Å; C324-S326 PolarHBondContact O-N 3.12Å
327	S	89	Confident	85.8	Confident	46 Å²	46	54 Å²	54	32%	0.322	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-3.4	177.4	-56.2	0	0	0	0	112.8	I286 Q323 C324 Y325	I286-S327 VanDerWaalsContact CD1-O 3.24Å; I286-S327 WeakPolarHBondContact CD1-O 3.35Å; Q323-S327 WeakPolarHBondContact O-CB 3.27Å; Q323-S327 PolarHBondContact O-N 2.91Å; Q323-S327 VanDerWaalsContact O-N 3.12Å; Q323-S327 PolarHBondContact O-OG 2.98Å; C324-S327 PolarHBondContact O-N 3.44Å; Y325-S327 PolarHBondContact O-N 3.31Å
328	L	88.2	Confident	84.4	Confident	9 Å²	9	55.2 Å²	55.2	5%	0.047	27%	0.269	C	S	.	.	S	Bend	trans	-66.1	147.8	-179.9	-71.8	174.7	0	0	0	111.2	L283 I294 F311 I313 C324 Y325 Q330 F332 H333	L283-L328 HydrophobicContact CD2-CD2 3.91Å; I294-L328 HydrophobicContact CD1-CD2 3.79Å; F311-L328 HydrophobicContact CE1-CD1 3.81Å; F311-L328 HydrophobicContact CZ-CD1 3.87Å; F311-L328 HydrophobicContact CZ-CD2 4.16Å; I313-L328 HydrophobicContact CD1-CD1 4.13Å; C324-L328 PolarHBondContact O-N 2.92Å; Y325-L328 HydrophobicContact CD2-CD1 4.26Å; Y325-L328 WeakPolarHBondContact O-CB 3.5Å; Y325-L328 WeakPolarHBondContact O-CG 3.49Å; Y325-L328 PolarHBondContact O-N 3.4Å; Y325-L328 VanDerWaalsContact O-N 3.1Å; L328-Q330 PolarHBondContact O-N 3.38Å; L328-F332 HydrophobicContact CB-CB 4.26Å; L328-F332 HydrophobicContact CD1-CB 4.39Å; L328-H333 PolarHBondContact O-NE2 3.03Å
329	P	86.2	Confident	82.6	Confident	27 Å²	27	54.1 Å²	54.1	18%	0.175	27%	0.266	C	S	.	.			trans	-57.2	142.6	172.8	-22.5	31.6	0	0	0	111.5	M279 I282 L331 F332	M279-P329 HydrophobicContact SD-CB 4.39Å; M279-P329 HydrophobicContact SD-CG 4.24Å; I282-P329 HydrophobicContact CG2-CG 4.16Å; P329-L331 PolarHBondContact O-N 3.49Å; P329-F332 HydrophobicContact CB-CD2 3.97Å; P329-F332 HydrophobicContact CB-CE2 4.33Å; P329-F332 HydrophobicContact CG-CD2 3.98Å; P329-F332 HydrophobicContact CG-CE2 4.03Å; P329-F332 WeakPolarHBondContact O-CB 3.33Å; P329-F332 PolarHBondContact O-N 3.48Å
330	Q	82.6	Confident	80.6	Confident	142 Å²	142	47.1 Å²	47.1	66%	0.664	24%	0.238	S	C	*	.	H	α-helix	trans	-47.3	-35.3	-178.8	-162.8	101.9	1.5	0	0	113.3	L328 F332 H333 R334	L328-Q330 PolarHBondContact O-N 3.38Å; Q330-F332 VanDerWaalsContact C-N 3.3Å; Q330-F332 PolarHBondContact O-N 3.25Å; Q330-H333 PolarHBondContact O-N 3.22Å; Q330-R334 PolarHBondContact O-N 3.08Å; Q330-R334 VanDerWaalsContact O-N 3.11Å
331	L	84.6	Confident	78.3	Confident	49 Å²	49	52.9 Å²	52.9	26%	0.257	27%	0.269	S	S	.	.	H	α-helix	trans	-53.6	-44.6	176.8	-175.1	72	0	0	0	112.1	I270 I275 M279 P329 R334 L335	I270-L331 HydrophobicContact CD1-CD1 4.06Å; I270-L331 HydrophobicContact CD1-CD2 4.46Å; I270-L331 HydrophobicContact CD1-CG 4.5Å; I275-L331 HydrophobicContact CD1-CD2 4.45Å; I275-L331 HydrophobicContact CG2-CD2 3.75Å; M279-L331 HydrophobicContact CE-CD2 4.34Å; P329-L331 PolarHBondContact O-N 3.49Å; L331-R334 PolarHBondContact O-N 3.27Å; L331-L335 HydrophobicContact CD1-CD1 4.37Å; L331-L335 HydrophobicContact CG-CD1 3.96Å; L331-L335 WeakPolarHBondContact O-CD1 3.49Å; L331-L335 VanDerWaalsContact O-CG 3.24Å; L331-L335 WeakPolarHBondContact O-CG 3.26Å; L331-L335 PolarHBondContact O-N 2.85Å
332	F	84.8	Confident	76.4	Confident	1 Å²	1	61.1 Å²	61.1	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-64.5	-45.7	179.6	-72.2	-96.2	0	0	0	110.7	F272 F276 M279 L283 I296 F311 L328 P329 Q330 R334 L335 L336	F272-F332 HydrophobicContact CE2-CD1 4.24Å; F272-F332 AromaticContact CE2-CE1 3.8Å; F272-F332 HydrophobicContact CE2-CE1 3.8Å; F272-F332 HydrophobicContact CE2-CZ 4Å; F272-F332 HydrophobicContact CZ-CD1 4.1Å; F272-F332 AromaticContact CZ-CE1 3.45Å; F272-F332 HydrophobicContact CZ-CE1 3.45Å; F272-F332 VanDerWaalsContact CZ-CE1 3.45Å; F272-F332 AromaticContact CZ-CZ 3.93Å; F272-F332 HydrophobicContact CZ-CZ 3.93Å; F276-F332 HydrophobicContact CD2-CE1 4.03Å; F276-F332 AromaticContact CD2-CZ 3.87Å; F276-F332 HydrophobicContact CD2-CZ 3.87Å; F276-F332 HydrophobicContact CE2-CE1 4.29Å; F276-F332 HydrophobicContact CE2-CZ 4.36Å; M279-F332 HydrophobicContact SD-CE2 4.01Å; L283-F332 HydrophobicContact CD1-CE1 4.49Å; L283-F332 HydrophobicContact CD1-CE2 4.19Å; L283-F332 HydrophobicContact CD1-CZ 3.66Å; L283-F332 HydrophobicContact CD2-CE2 4.22Å; L283-F332 HydrophobicContact CD2-CZ 4.12Å; L283-F332 HydrophobicContact CG-CZ 4.5Å; I296-F332 HydrophobicContact CD1-CE1 4.27Å; F311-F332 HydrophobicContact CD2-CD1 4.1Å; F311-F332 HydrophobicContact CD2-CE1 4.3Å; F311-F332 AromaticContact CE2-CD1 3.41Å; F311-F332 HydrophobicContact CE2-CD1 3.41Å; F311-F332 VanDerWaalsContact CE2-CD1 3.41Å; F311-F332 AromaticContact CE2-CE1 3.52Å; F311-F332 HydrophobicContact CE2-CE1 3.52Å; F311-F332 AromaticContact CZ-CD1 3.88Å; F311-F332 HydrophobicContact CZ-CD1 3.88Å; F311-F332 HydrophobicContact CZ-CE1 4.24Å; L328-F332 HydrophobicContact CB-CB 4.26Å; L328-F332 HydrophobicContact CD1-CB 4.39Å; P329-F332 HydrophobicContact CB-CD2 3.97Å; P329-F332 HydrophobicContact CB-CE2 4.33Å; P329-F332 HydrophobicContact CG-CD2 3.98Å; P329-F332 HydrophobicContact CG-CE2 4.03Å; P329-F332 WeakPolarHBondContact O-CB 3.33Å; P329-F332 PolarHBondContact O-N 3.48Å; Q330-F332 VanDerWaalsContact C-N 3.3Å; Q330-F332 PolarHBondContact O-N 3.25Å; F332-R334 VanDerWaalsContact C-N 3.25Å; F332-R334 PolarHBondContact O-N 3.42Å; F332-L335 PolarHBondContact O-N 3.39Å; F332-L336 WeakPolarHBondContact O-CD1 3.39Å; F332-L336 WeakPolarHBondContact O-CG 3.46Å; F332-L336 PolarHBondContact O-N 3.32Å
333	H	83.3	Confident	74.6	Confident	48 Å²	48	61 Å²	61	22%	0.222	30%	0.301	C	S	.	.	H	α-helix	trans	-57.6	-36.7	177.7	-67.6	-59.2	0	0	0	113.2	Y325 L328 Q330	Y325-H333 AromaticContact CE1-CE1 3.71Å; Y325-H333 AromaticContact CE1-ND1 3.98Å; Y325-H333 AromaticContact CE2-CE1 3.85Å; Y325-H333 AromaticContact CE2-ND1 3.79Å; Y325-H333 AromaticContact CZ-CE1 3.6Å; Y325-H333 AromaticContact CZ-ND1 3.46Å; Y325-H333 PolarHBondContact O-CE1 2.73Å; Y325-H333 PolarHBondContact O-NE2 3.12Å; Y325-H333 PolarHBondContact OH-ND1 3.24Å; L328-H333 PolarHBondContact O-NE2 3.03Å; Q330-H333 PolarHBondContact O-N 3.22Å
334	R	82.8	Confident	72.4	Confident	148 Å²	148	60.8 Å²	60.8	56%	0.558	31%	0.309	S	S	*	.	H	α-helix	trans	-71.2	-29.4	177	-71.6	-178.3	172.6	-173.3	-1.4	113.3	E68 Q330 L331 F332	E68-R334 IonicContact OE1-NH1 3.69Å; E68-R334 IonicContact OE2-CZ 2.98Å; E68-R334 IonicContact OE2-NH1 3.85Å; E68-R334 PolarHBondContact OE2-NH1 2.96Å; E68-R334 IonicContact OE2-NH2 3.43Å; Q330-R334 PolarHBondContact O-N 3.08Å; Q330-R334 VanDerWaalsContact O-N 3.11Å; L331-R334 PolarHBondContact O-N 3.27Å; F332-R334 VanDerWaalsContact C-N 3.25Å; F332-R334 PolarHBondContact O-N 3.42Å
335	L	83	Confident	69.9	Low	13 Å²	13	67 Å²	67	7%	0.068	35%	0.348	C	S	.	.	H	α-helix	trans	-86.3	-32.1	-175.8	-68.4	168.8	0	0	0	112.6	I262 K266 L267 I270 F272 L331 F332	I262-L335 HydrophobicContact CG2-CB 3.84Å; I262-L335 WeakPolarHBondContact CG2-O 3.45Å; K266-L335 HydrophobicContact CB-CD2 3.94Å; L267-L335 HydrophobicContact CD2-CD1 4.15Å; I270-L335 HydrophobicContact CD1-CD1 3.57Å; I270-L335 HydrophobicContact CD1-CD2 3.84Å; I270-L335 HydrophobicContact CD1-CG 4.26Å; F272-L335 HydrophobicContact CD2-CD1 3.52Å; F272-L335 HydrophobicContact CE2-CD1 3.64Å; L331-L335 HydrophobicContact CD1-CD1 4.37Å; L331-L335 HydrophobicContact CG-CD1 3.96Å; L331-L335 WeakPolarHBondContact O-CD1 3.49Å; L331-L335 VanDerWaalsContact O-CG 3.24Å; L331-L335 WeakPolarHBondContact O-CG 3.26Å; L331-L335 PolarHBondContact O-N 2.85Å; F332-L335 PolarHBondContact O-N 3.39Å
336	L	81.3	Confident	67.3	Low	7 Å²	7	75.1 Å²	75.1	4%	0.037	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-61.1	136.9	-177.8	-70.2	162.8	0	0	0	111.4	M260 I262 F311 Y325 F332 L338	M260-L336 HydrophobicContact CB-CD2 3.66Å; M260-L336 HydrophobicContact CE-CD1 4.43Å; M260-L336 HydrophobicContact CG-CD2 4.42Å; M260-L336 HydrophobicContact SD-CD1 3.72Å; M260-L336 HydrophobicContact SD-CD2 3.9Å; M260-L336 HydrophobicContact SD-CG 4.37Å; I262-L336 HydrophobicContact CD1-CD2 4.06Å; I262-L336 HydrophobicContact CG1-CD2 3.63Å; I262-L336 HydrophobicContact CG1-CG 4.31Å; F311-L336 HydrophobicContact CB-CD2 3.92Å; F311-L336 HydrophobicContact CD1-CD2 4.02Å; F311-L336 HydrophobicContact CG-CD2 3.99Å; Y325-L336 HydrophobicContact CE2-CD1 3.95Å; F332-L336 WeakPolarHBondContact O-CD1 3.39Å; F332-L336 WeakPolarHBondContact O-CG 3.46Å; F332-L336 PolarHBondContact O-N 3.32Å; L336-L338 PolarHBondContact O-N 3.34Å; L336-L338 VanDerWaalsContact O-N 3.13Å
337	I	72.6	Confident	66.3	Low	15 Å²	15	74.5 Å²	74.5	8%	0.077	39%	0.39	C	S	.	.			trans	-74.8	103.2	173.1	-58.6	173.9	0	0	0	106.6	F261 Y263 I308 E339	F261-I337 HydrophobicContact CB-CB 4.44Å; F261-I337 HydrophobicContact CB-CD1 3.84Å; F261-I337 HydrophobicContact CB-CG1 4.44Å; F261-I337 WeakPolarHBondContact O-CG1 3.45Å; F261-I337 PolarHBondContact O-N 3.16Å; Y263-I337 HydrophobicContact CD1-CD1 3.64Å; Y263-I337 HydrophobicContact CD2-CD1 3.52Å; Y263-I337 HydrophobicContact CD2-CG1 3.53Å; Y263-I337 HydrophobicContact CE1-CD1 3.5Å; Y263-I337 HydrophobicContact CE1-CG1 4.47Å; Y263-I337 HydrophobicContact CE2-CB 4.48Å; Y263-I337 HydrophobicContact CE2-CD1 3.42Å; Y263-I337 VanDerWaalsContact CE2-CD1 3.42Å; Y263-I337 HydrophobicContact CE2-CG1 3.47Å; Y263-I337 VanDerWaalsContact CE2-CG1 3.47Å; Y263-I337 HydrophobicContact CE2-CG2 4.27Å; Y263-I337 HydrophobicContact CG-CD1 3.63Å; Y263-I337 HydrophobicContact CG-CG1 4.09Å; I308-I337 HydrophobicContact CG2-CD1 3.75Å; I337-E339 HydrophobicContact CG2-CB 4Å; I337-E339 HydrophobicContact CG2-CG 3.83Å; I337-E339 PolarHBondContact O-N 3.4Å; I337-E339 VanDerWaalsContact O-N 3.08Å
338	L	57.8	Low	65.1	Low	94 Å²	94	76 Å²	76	49%	0.492	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	17.4	-179.9	-66.5	170.6	0	0	0	113.7	L336 C340	L336-L338 PolarHBondContact O-N 3.34Å; L336-L338 VanDerWaalsContact O-N 3.13Å; L338-C340 PolarHBondContact O-N 3.2Å; L338-C340 VanDerWaalsContact O-N 3.15Å
339	E	50.7	Low	63.8	Low	97 Å²	97	79.7 Å²	79.7	45%	0.453	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-7.8	173.3	-71	-169.7	162.1	0	0	112.5	Y303 K304 I337	Y303-E339 VanDerWaalsContact CE1-OE2 3.28Å; Y303-E339 WeakPolarHBondContact CE1-OE2 3.36Å; Y303-E339 PolarHBondContact OH-OE2 3.08Å; K304-E339 IonicContact NZ-OE1 2.73Å; K304-E339 PolarHBondContact NZ-OE1 2.9Å; K304-E339 IonicContact NZ-OE2 2.91Å; K304-E339 PolarHBondContact NZ-OE2 3.4Å; I337-E339 HydrophobicContact CG2-CB 4Å; I337-E339 HydrophobicContact CG2-CG 3.83Å; I337-E339 PolarHBondContact O-N 3.4Å; I337-E339 VanDerWaalsContact O-N 3.08Å
340	C	45.5	Very low	62.5	Low	19 Å²	19	82.8 Å²	82.8	13%	0.128	43%	0.426	C	S	.	.	S	Bend	trans	-83.4	136.8	167.5	-57.7	0	0	0	0	110.4	L182 L338 R342	L182-C340 VanDerWaalsContact CB-SG 3.55Å; L182-C340 WeakPolarHBondContact CD2-SG 3.34Å; L338-C340 PolarHBondContact O-N 3.2Å; L338-C340 VanDerWaalsContact O-N 3.15Å; C340-R342 PolarHBondContact O-N 3.46Å
341	D	40.9	Very low	61.2	Low	155 Å²	155	79.1 Å²	79.1	83%	0.829	41%	0.411	S	S	*	.			trans	-43.4	119	162.1	-70.7	-38.7	0	0	0	108.5
342	R	49.4	Very low	59.7	Low	175 Å²	175	81.1 Å²	81.1	66%	0.66	42%	0.422	S	S	*	.			trans	-49.3	133.9	171.6	-84.1	-179	179.1	167.2	0	106.1	C340 C344	C340-R342 PolarHBondContact O-N 3.46Å; R342-C344 VanDerWaalsContact C-N 3.28Å; R342-C344 PolarHBondContact O-N 3.2Å; R342-C344 PolarHBondContact O-SG 3.19Å; R342-C344 VanDerWaalsContact O-SG 3.36Å
343	P	49.2	Very low	57.9	Low	25 Å²	25	86.9 Å²	86.9	16%	0.162	45%	0.452	C	S	.	.			trans	-68	101.4	-176.4	32.9	-36.8	0	0	0	105.9	F184 Y258 L322 Y325	F184-P343 HydrophobicContact CE2-CB 3.99Å; F184-P343 HydrophobicContact CZ-CB 4.34Å; Y258-P343 HydrophobicContact CE1-CG 4.3Å; Y258-P343 HydrophobicContact CE2-CB 4.35Å; Y258-P343 WeakPolarHBondContact OH-CD 3.04Å; L322-P343 HydrophobicContact CD2-CB 3.26Å; L322-P343 HydrophobicContact CD2-CG 3.29Å; L322-P343 WeakPolarHBondContact CD2-O 3.39Å; L322-P343 HydrophobicContact CG-CB 4.37Å; Y325-P343 HydrophobicContact CD1-CG 4.3Å
344	C	42.8	Very low	55.9	Low	93 Å²	93	89.8 Å²	89.8	63%	0.628	47%	0.469	S	S	*	.			trans	-76.4	139.2	-175.4	-76.6	0	0	0	0	108.3	R342 T346	R342-C344 VanDerWaalsContact C-N 3.28Å; R342-C344 PolarHBondContact O-N 3.2Å; R342-C344 PolarHBondContact O-SG 3.19Å; R342-C344 VanDerWaalsContact O-SG 3.36Å; C344-T346 VanDerWaalsContact C-N 3.28Å; C344-T346 PolarHBondContact O-N 3.48Å
345	T	37.6	Very low	53.7	Low	131 Å²	131	85 Å²	85	80%	0.804	46%	0.462	S	S	*	.			trans	-73.9	84.1	171	48.5	0	0	0	0	108.6
346	T	33.5	Very low	51	Low	196 Å²	196	91.5 Å²	91.5	100%	1.202	50%	0.498	S	S	*	.			trans	-133.7	0	167.1	50.7	0	0	0	0	109.5	C344	C344-T346 VanDerWaalsContact C-N 3.28Å; C344-T346 PolarHBondContact O-N 3.48Å

Retrieved 346 of 346 residues in 306.7 ms (Link to these results)

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