A0A3B5Q8X0_XIPMA Loading...

RBR-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A3B5Q8X0, Species XIPMA (Xiphophorus maculatus, Southern platyfish), Gene n/a, Length 528 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.2	Very low	36.1	Very low	221 Å²	221	163.2 Å²	163.2	100%	1.089	81%	0.807	S	S	*	*				0	53.4	0	-65.5	-171.9	176.1	0	0	106
2	D	35.4	Very low	36.1	Very low	148 Å²	148	160.8 Å²	160.8	79%	0.791	80%	0.8	S	S	*	*				99.6	132.3	86	-66.2	-4.4	0	0	0	105
3	S	36.8	Very low	36.2	Very low	114 Å²	114	159.9 Å²	159.9	80%	0.797	80%	0.8	S	S	*	*			cis	-171.6	162.8	22	21	0	0	0	0	108.6
4	D	38.5	Very low	36.1	Very low	157 Å²	157	161.4 Å²	161.4	84%	0.84	80%	0.803	S	S	*	*			trans	-43.7	155	175.9	-64.8	-60.4	0	0	0	117.3
5	E	44.5	Very low	36.1	Very low	179 Å²	179	162.5 Å²	162.5	84%	0.836	81%	0.813	S	S	*	*				-160.8	120.4	124.1	-107.8	176.4	-158	0	0	110.1
6	G	33.8	Very low	36.2	Very low	64 Å²	64	164.1 Å²	164.1	66%	0.66	82%	0.817	S	S	*	*			trans	-94.8	167.4	-179.9	0	0	0	0	0	113.7
7	Y	36.9	Very low	36	Very low	203 Å²	203	161.7 Å²	161.7	80%	0.796	82%	0.818	S	S	*	*			trans	-134.5	112.2	160.1	-77.8	-80.3	0	0	0	109.2
8	N	31.2	Very low	35.9	Very low	125 Å²	125	158.7 Å²	158.7	67%	0.668	81%	0.814	S	S	*	*			trans	-85	136.8	172.6	-160.8	27.6	0	0	0	108.4
9	Y	36	Very low	35.9	Very low	208 Å²	208	160.8 Å²	160.8	82%	0.816	82%	0.82	S	S	*	*			trans	-126.5	102.7	162.7	-77.7	-69.1	0	0	0	108.1
10	E	33.3	Very low	35.7	Very low	146 Å²	146	160.6 Å²	160.6	68%	0.682	82%	0.821	S	S	*	*			trans	-82.6	135.3	162.8	-74.6	167.9	178.1	0	0	108.9
11	Y	37.7	Very low	35.7	Very low	230 Å²	230	158.3 Å²	158.3	90%	0.902	82%	0.82	S	S	*	*			trans	-144.4	109.8	145.5	-99.3	-81.2	0	0	0	107.3
12	D	36.2	Very low	35.6	Very low	135 Å²	135	150.9 Å²	150.9	72%	0.722	80%	0.8	S	S	*	*			trans	-74.4	149.3	161.4	-74	-42	0	0	0	110.2
13	D	37.7	Very low	35.5	Very low	149 Å²	149	153.1 Å²	153.1	80%	0.797	81%	0.805	S	S	*	*			trans	170.4	90.4	142.6	-87.4	-24.4	0	0	0	105.1
14	E	34.5	Very low	35.4	Very low	180 Å²	180	154.2 Å²	154.2	84%	0.841	81%	0.807	S	S	*	*				52	96.6	90.8	-70.6	-165.7	-178.4	0	0	113.7
15	D	36.1	Very low	35.1	Very low	179 Å²	179	155.1 Å²	155.1	96%	0.957	81%	0.806	S	S	*	*			trans	-142.6	112.5	144.2	-99.5	-34	0	0	0	108.2
16	E	38.1	Very low	34.8	Very low	188 Å²	188	152.6 Å²	152.6	88%	0.879	81%	0.806	S	S	*	*			trans	-106.7	160.7	-177.1	-160.3	-179.2	-151.7	0	0	110.2
17	C	32.1	Very low	34.6	Very low	123 Å²	123	158.8 Å²	158.8	83%	0.831	82%	0.817	S	S	*	*			trans	92.9	132.9	173.2	98.2	0	0	0	0	115.8
18	S	34.3	Very low	34.3	Very low	108 Å²	108	155.3 Å²	155.3	76%	0.755	81%	0.812	S	S	*	*			cis	-159.9	139.9	12.9	49.6	0	0	0	0	109.9
19	E	36.7	Very low	34.4	Very low	199 Å²	199	156.9 Å²	156.9	93%	0.93	82%	0.821	S	S	*	*			trans	-68	132.4	165.1	-63.8	174.4	153.4	0	0	110
20	D	31.9	Very low	34.2	Very low	156 Å²	156	152.6 Å²	152.6	83%	0.834	82%	0.816	S	S	*	*			trans	-132.9	111.2	158.3	-169.1	22.3	0	0	0	108.7
21	S	35.8	Very low	34.1	Very low	113 Å²	113	153.2 Å²	153.2	79%	0.79	82%	0.823	S	S	*	*			trans	-90.3	100.2	177.5	49.4	0	0	0	0	109.2
22	G	29.8	Very low	33.8	Very low	65 Å²	65	149.7 Å²	149.7	67%	0.67	82%	0.82	S	S	*	*			trans	-98.8	103.1	167.2	0	0	0	0	0	111.1
23	E	33.8	Very low	33.6	Very low	194 Å²	194	150.8 Å²	150.8	91%	0.907	83%	0.825	S	S	*	*			trans	-62.8	125.6	163	-69.3	176.6	158.2	0	0	109.3
24	V	34.7	Very low	33.2	Very low	138 Å²	138	146.3 Å²	146.3	84%	0.836	81%	0.814	S	S	*	*			trans	-119.7	109	169.8	-175.4	0	0	0	0	107.4
25	E	33.4	Very low	33	Very low	175 Å²	175	147 Å²	147	82%	0.818	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-67.3	148.1	171.3	-64.5	-142.9	149.9	0	0	111.1
26	P	36.6	Very low	32.6	Very low	127 Å²	127	145.1 Å²	145.1	83%	0.825	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-80.4	122.1	176.7	30.9	-29.8	0	0	0	110.8
27	E	31.1	Very low	32.1	Very low	193 Å²	193	144.7 Å²	144.7	90%	0.902	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-71.5	135.3	167.3	-70.7	-173.3	158.7	0	0	110.8	D29	E27-D29 PolarHBondContact O-N 3.35Å
28	D	30.9	Very low	31.8	Very low	131 Å²	131	147 Å²	147	70%	0.701	81%	0.813	S	S	*	*			trans	-81.2	98.4	-176.5	178.8	29.7	0	0	0	110.8	T30	D28-T30 PolarHBondContact O-N 3.2Å
29	D	32.2	Very low	31.6	Very low	158 Å²	158	148.3 Å²	148.3	85%	0.845	82%	0.816	S	S	*	*			trans	-93.5	86	168.1	-93	-23	0	0	0	110	E27 L31	E27-D29 PolarHBondContact O-N 3.35Å; D29-L31 PolarHBondContact O-N 3.17Å
30	T	32.1	Very low	31	Very low	117 Å²	117	146 Å²	146	72%	0.718	81%	0.81	S	S	*	*			trans	-74.9	97.7	166.5	32.1	0	0	0	0	110.1	D28	D28-T30 PolarHBondContact O-N 3.2Å
31	L	31.9	Very low	31	Very low	159 Å²	159	144.4 Å²	144.4	83%	0.832	81%	0.808	S	S	*	*			trans	-86.5	110.9	165.9	-79.7	167.7	0	0	0	110.4	D29 I33	D29-L31 PolarHBondContact O-N 3.17Å; L31-I33 PolarHBondContact O-N 3.49Å
32	D	30.9	Very low	30.6	Very low	156 Å²	156	145.3 Å²	145.3	83%	0.834	81%	0.809	S	S	*	*			trans	-57.6	110.2	171.8	-175.2	24.1	0	0	0	111.4
33	I	32.3	Very low	30.5	Very low	159 Å²	159	149 Å²	149	82%	0.815	82%	0.818	S	S	*	*			trans	-101	100.1	171.8	-50.9	177.1	0	0	0	106.8	L31	L31-I33 PolarHBondContact O-N 3.49Å
34	G	28.6	Very low	30.3	Very low	55 Å²	55	144.1 Å²	144.1	57%	0.567	81%	0.811	S	S	*	*			trans	-55.3	140.5	178.5	0	0	0	0	0	113.6	V36	G34-V36 PolarHBondContact O-N 3.13Å
35	E	29.3	Very low	29.8	Very low	194 Å²	194	141.4 Å²	141.4	91%	0.907	81%	0.811	S	S	*	*			trans	-51.9	126	175.5	-68.8	175.1	139.4	0	0	112
36	V	29.5	Very low	29.5	Very low	140 Å²	140	136.8 Å²	136.8	85%	0.848	81%	0.81	S	S	*	*			trans	-100.3	106.1	162.3	-89.2	0	0	0	0	108.4	G34 L38	G34-V36 PolarHBondContact O-N 3.13Å; V36-L38 PolarHBondContact O-N 3.19Å
37	E	26	Very low	29	Very low	178 Å²	178	140.4 Å²	140.4	83%	0.832	82%	0.815	S	S	*	*			trans	-59.5	126.6	175	-74.1	-176.7	143.7	0	0	111.4	V39	E37-V39 PolarHBondContact O-N 3.48Å
38	L	26.1	Very low	29	Very low	172 Å²	172	143 Å²	143	90%	0.901	82%	0.817	S	S	*	*			trans	-74.7	110.8	167.4	-70.3	163.2	0	0	0	108.6	V36	V36-L38 PolarHBondContact O-N 3.19Å
39	V	29.7	Very low	28.8	Very low	136 Å²	136	144.6 Å²	144.6	82%	0.824	83%	0.825	S	S	*	*			trans	-89.8	108.7	170.9	-101.9	0	0	0	0	110.1	E37	E37-V39 PolarHBondContact O-N 3.48Å
40	D	25.5	Very low	28.7	Very low	150 Å²	150	145.9 Å²	145.9	80%	0.802	83%	0.827	S	S	*	*			trans	-65	135	167	-78.3	-43.1	0	0	0	111.1	V42	D40-V42 PolarHBondContact O-N 3.5Å
41	P	30.8	Very low	28.4	Very low	122 Å²	122	144.1 Å²	144.1	79%	0.792	83%	0.832	S	S	*	*			trans	-80	113.8	167	9.5	3.6	0	0	0	111.1
42	V	27.7	Very low	28	Very low	133 Å²	133	140.4 Å²	140.4	81%	0.806	83%	0.831	S	S	*	*			trans	-29.4	122.5	164.8	-176.2	0	0	0	0	114.5	D40	D40-V42 PolarHBondContact O-N 3.5Å
43	V	28.1	Very low	28.1	Very low	142 Å²	142	141.7 Å²	141.7	86%	0.861	83%	0.833	S	S	*	*			trans	-76.8	117.3	163.9	179.2	0	0	0	0	108.8
44	A	29.4	Very low	27.8	Very low	92 Å²	92	141.1 Å²	141.1	76%	0.76	84%	0.836	S	S	*	*			trans	-120.2	114.2	165.3	0	0	0	0	0	109.1
45	G	23.6	Very low	27.8	Very low	81 Å²	81	141.8 Å²	141.8	84%	0.835	84%	0.843	S	S	*	*			trans	-76	152.2	175.7	0	0	0	0	0	112.8
46	G	26.9	Very low	27.9	Very low	77 Å²	77	140.1 Å²	140.1	79%	0.794	85%	0.846	S	S	*	*			trans	-161.6	137.3	170.3	0	0	0	0	0	109.1
47	E	27.1	Very low	27.7	Very low	203 Å²	203	137.3 Å²	137.3	95%	0.949	85%	0.845	S	S	*	*			trans	-78.9	171.2	-153.9	-65.1	169.4	128.5	0	0	116.1
48	R	30.8	Very low	27.7	Very low	249 Å²	249	132.6 Å²	132.6	94%	0.94	84%	0.844	S	S	*	*			trans	-60.6	144.1	179.1	-61.2	169.9	-179.5	-179.8	-1.6	112.7
49	D	26.5	Very low	28	Very low	163 Å²	163	134 Å²	134	87%	0.872	85%	0.846	S	S	*	*			trans	-151.5	149.4	140.5	-143.5	-7.7	0	0	0	112.4
50	E	29.3	Very low	27.9	Very low	186 Å²	186	130.5 Å²	130.5	87%	0.869	84%	0.837	S	S	*	*			trans	-79.8	153.7	-171.8	-67	179.4	134.2	0	0	113.8
51	G	25.8	Very low	28.4	Very low	80 Å²	80	129.9 Å²	129.9	83%	0.825	84%	0.841	S	S	*	*			trans	112.7	134.1	139	0	0	0	0	0	118.4
52	G	24.9	Very low	28.5	Very low	80 Å²	80	127.8 Å²	127.8	83%	0.825	84%	0.842	S	S	*	*			trans	104.2	117.8	138.6	0	0	0	0	0	117.8
53	E	31.7	Very low	28.9	Very low	184 Å²	184	130.3 Å²	130.3	86%	0.86	85%	0.845	S	S	*	*			trans	-51.9	144.7	168.5	-60.3	167.7	127.5	0	0	113.6
54	T	27	Very low	29.3	Very low	146 Å²	146	132.6 Å²	132.6	90%	0.896	85%	0.846	S	S	*	*				166.4	149.4	125.2	37.4	0	0	0	0	110
55	G	29.1	Very low	29.7	Very low	69 Å²	69	137 Å²	137	71%	0.711	85%	0.851	S	S	*	*			trans	-77.4	-171.5	-168.6	0	0	0	0	0	116.6
56	V	30.3	Very low	30.9	Very low	160 Å²	160	140.9 Å²	140.9	97%	0.97	85%	0.847	S	S	*	*			trans	96.6	118.5	171.7	-169.6	0	0	0	0	115.2
57	G	26.3	Very low	32.3	Very low	80 Å²	80	145.2 Å²	145.2	83%	0.825	85%	0.847	S	S	*	*			trans	134	129.3	145.8	0	0	0	0	0	115.5
58	G	25.8	Very low	34.8	Very low	79 Å²	79	142.1 Å²	142.1	81%	0.814	84%	0.837	S	S	*	*			trans	141.2	72.4	151.2	0	0	0	0	0	115.9	G60	G58-G60 PolarHBondContact O-N 3.25Å
59	H	32.3	Very low	37.6	Very low	203 Å²	203	131.4 Å²	131.4	94%	0.94	80%	0.797	S	S	*	*			trans	-60.5	115.1	155.9	-82.4	-54.2	0	0	0	108.9
60	G	27.8	Very low	40.9	Very low	62 Å²	62	131.9 Å²	131.9	64%	0.639	79%	0.786	S	S	*	*			trans	-79.5	157.7	165.4	0	0	0	0	0	111.1	G58	G58-G60 PolarHBondContact O-N 3.25Å
61	P	34	Very low	44	Very low	136 Å²	136	126.9 Å²	126.9	88%	0.883	76%	0.762	S	S	*	*	S	Bend	trans	-83.2	126.9	-168.5	32.4	-31	0	0	0	112.1
62	G	34.8	Very low	47.4	Very low	78 Å²	78	127.8 Å²	127.8	80%	0.804	75%	0.745	S	S	*	*			trans	67.2	55.1	142.7	0	0	0	0	0	117.7
63	E	34.8	Very low	50.9	Low	186 Å²	186	124.6 Å²	124.6	87%	0.869	71%	0.709	S	S	*	*			trans	-82.4	111.6	140.1	-70.9	179.8	171.4	0	0	105.1	E65	E63-E65 VanDerWaalsContact C-N 3.33Å; E63-E65 PolarHBondContact O-N 3.26Å
64	E	36.3	Very low	54	Low	190 Å²	190	116 Å²	116	89%	0.888	67%	0.669	S	S	*	*			trans	-56.6	106.3	163.6	-72.4	177.7	168.8	0	0	106	E66	E64-E66 PolarHBondContact O-N 3.42Å
65	E	38.6	Very low	57.2	Low	185 Å²	185	111.3 Å²	111.3	86%	0.864	64%	0.64	S	S	*	*			trans	-58.5	94.2	170.2	-70.7	179	166.8	0	0	106.3	E63 E67	E63-E65 VanDerWaalsContact C-N 3.33Å; E63-E65 PolarHBondContact O-N 3.26Å; E65-E67 PolarHBondContact O-N 3.04Å
66	E	49.2	Very low	60.2	Low	163 Å²	163	108 Å²	108	76%	0.762	61%	0.606	S	S	*	*			trans	-45.7	116.5	161.4	-97.2	-169.1	130.7	0	0	105.7	E64 D68	E64-E66 PolarHBondContact O-N 3.42Å; E66-D68 PolarHBondContact O-N 2.64Å
67	E	54.9	Low	63.1	Low	168 Å²	168	104.2 Å²	104.2	79%	0.785	58%	0.578	S	S	*	*			trans	-49.9	104.5	175.8	-80.1	-175.2	154.9	0	0	108.1	E65 Y69	E65-E67 PolarHBondContact O-N 3.04Å; E67-Y69 PolarHBondContact O-N 2.93Å
68	D	80.1	Confident	66.3	Low	137 Å²	137	103.7 Å²	103.7	73%	0.733	55%	0.554	S	S	*	*			trans	-61.7	107.4	-169.6	-158.8	12.6	0	0	0	107.5	E66 R70	E66-D68 PolarHBondContact O-N 2.64Å; D68-R70 WeakPolarHBondContact O-CG 3.39Å; D68-R70 PolarHBondContact O-N 3.36Å
69	Y	90.9	Very high	69.6	Low	24 Å²	24	100 Å²	100	9%	0.094	52%	0.515	C	S	.	.			trans	-65	92.3	-171.2	178.5	-112.1	0	0	0	109.9	E67 F71 V258 Y260 D262 K264 V266	E67-Y69 PolarHBondContact O-N 2.93Å; Y69-F71 HydrophobicContact CD1-CD1 4.42Å; Y69-F71 WeakPolarHBondContact O-CD1 3.26Å; Y69-F71 PolarHBondContact O-N 3.14Å; Y69-V258 HydrophobicContact CE1-CG1 4.17Å; Y69-V258 WeakPolarHBondContact OH-CG1 3.48Å; Y69-Y260 HydrophobicContact CD2-CE2 4.05Å; Y69-Y260 AromaticContact CD2-CZ 3.87Å; Y69-Y260 HydrophobicContact CE2-CD2 4.28Å; Y69-Y260 AromaticContact CE2-CE2 3.88Å; Y69-Y260 HydrophobicContact CE2-CE2 3.88Å; Y69-Y260 PolarHBondContact OH-O 3.45Å; Y69-D262 HydrophobicContact CD2-CB 4.49Å; Y69-D262 HydrophobicContact CE2-CB 3.72Å; Y69-D262 PolarHBondContact OH-N 2.94Å; Y69-K264 HydrophobicContact CD1-CB 3.47Å; Y69-K264 VanDerWaalsContact CD1-CB 3.47Å; Y69-K264 HydrophobicContact CD1-CG 4.22Å; Y69-K264 HydrophobicContact CD2-CB 4.3Å; Y69-K264 HydrophobicContact CD2-CG 4.24Å; Y69-K264 HydrophobicContact CE1-CB 3.57Å; Y69-K264 HydrophobicContact CE1-CG 4.49Å; Y69-K264 HydrophobicContact CE2-CB 4.4Å; Y69-K264 HydrophobicContact CG-CB 3.85Å; Y69-K264 HydrophobicContact CG-CG 4.07Å; Y69-V266 HydrophobicContact CD1-CG1 4.37Å; Y69-V266 HydrophobicContact CE1-CG1 3.74Å
70	R	94.3	Very high	72.5	Confident	174 Å²	174	91.4 Å²	91.4	66%	0.657	48%	0.476	S	S	*	.			trans	-75.3	127	-170.3	-58.1	-165.8	-178.3	165.8	1.8	111.7	D68	D68-R70 WeakPolarHBondContact O-CG 3.39Å; D68-R70 PolarHBondContact O-N 3.36Å
71	F	95.9	Very high	75.6	Confident	81 Å²	81	93.8 Å²	93.8	36%	0.355	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	158.4	173.8	65.6	-93.6	0	0	0	112.1	Y69 V73 V256 K257 V258 V266 R267	Y69-F71 HydrophobicContact CD1-CD1 4.42Å; Y69-F71 WeakPolarHBondContact O-CD1 3.26Å; Y69-F71 PolarHBondContact O-N 3.14Å; F71-V73 HydrophobicContact CD2-CG2 4.32Å; F71-V73 HydrophobicContact CE2-CG2 4.27Å; F71-V256 HydrophobicContact CB-CG1 3.95Å; F71-V256 HydrophobicContact CD2-CG1 3.98Å; F71-V256 HydrophobicContact CG-CG1 4.22Å; F71-K257 CarbonylContact C-O 3.55Å; F71-K257 VanDerWaalsContact CA-O 3.24Å; F71-K257 WeakPolarHBondContact CA-O 3.18Å; F71-K257 WeakPolarHBondContact CB-O 3.46Å; F71-V258 HydrophobicContact CB-CG1 3.92Å; F71-V266 HydrophobicContact CB-CG1 4.26Å; F71-V266 HydrophobicContact CD1-CB 4.35Å; F71-V266 HydrophobicContact CD1-CG1 3.87Å; F71-V266 HydrophobicContact CD2-CB 4.39Å; F71-V266 HydrophobicContact CD2-CG1 4.48Å; F71-V266 HydrophobicContact CE1-CB 4.45Å; F71-V266 HydrophobicContact CE1-CG1 4.36Å; F71-V266 HydrophobicContact CE2-CB 4.49Å; F71-V266 HydrophobicContact CG-CB 4.33Å; F71-V266 HydrophobicContact CG-CG1 3.95Å; F71-R267 WeakPolarHBondContact CE2-O 3.45Å; F71-R267 HydrophobicContact CZ-CB 4.28Å
72	E	97	Very high	78.5	Confident	99 Å²	99	91.9 Å²	91.9	46%	0.463	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.8	177.8	-178.8	179.9	-164	0	0	110	L74 V256 K257	E72-L74 HydrophobicContact CG-CD2 3.98Å; E72-L74 HydrophobicContact CG-CG 4.33Å; E72-L74 WeakPolarHBondContact OE1-CD2 3.36Å; E72-V256 CarbonylContact O-C 3.58Å; E72-V256 WeakPolarHBondContact O-CA 3.28Å; E72-K257 HydrophobicContact CB-CB 4.44Å; E72-K257 PolarHBondContact N-O 3Å; E72-K257 PolarHBondContact O-N 3.32Å
73	V	97.5	Very high	81.3	Confident	13 Å²	13	88.3 Å²	88.3	8%	0.079	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	111.1	175.7	-173.8	0	0	0	0	110.1	F71 H254 V255 V256 K269	F71-V73 HydrophobicContact CD2-CG2 4.32Å; F71-V73 HydrophobicContact CE2-CG2 4.27Å; V73-H254 HydrophobicContact CG1-CB 3.94Å; V73-V255 WeakPolarHBondContact CA-O 3.39Å; V73-V256 HydrophobicContact CG2-CG2 4.41Å; V73-K269 HydrophobicContact CB-CD 4.1Å; V73-K269 HydrophobicContact CB-CG 4.02Å; V73-K269 HydrophobicContact CG1-CB 4.3Å; V73-K269 HydrophobicContact CG1-CD 4.04Å; V73-K269 HydrophobicContact CG1-CG 3.95Å; V73-K269 HydrophobicContact CG2-CG 4.45Å; V73-K269 PolarHBondContact O-NZ 3.44Å
74	L	97.1	Very high	84.1	Confident	3 Å²	3	83.2 Å²	83.2	2%	0.016	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	147.4	-180	-60	176.1	0	0	0	111.2	E72 Q78 I79 H254 V255 K257	E72-L74 HydrophobicContact CG-CD2 3.98Å; E72-L74 HydrophobicContact CG-CG 4.33Å; E72-L74 WeakPolarHBondContact OE1-CD2 3.36Å; L74-Q78 HydrophobicContact CB-CB 4.33Å; L74-Q78 HydrophobicContact CD2-CB 4.38Å; L74-I79 HydrophobicContact CB-CD1 3.99Å; L74-I79 HydrophobicContact CB-CG1 4.08Å; L74-I79 HydrophobicContact CD1-CD1 3.59Å; L74-I79 HydrophobicContact CG-CD1 4.44Å; L74-H254 CarbonylContact O-C 3.46Å; L74-H254 WeakPolarHBondContact O-CA 3.45Å; L74-V255 PolarHBondContact N-O 3.32Å; L74-V255 PolarHBondContact O-N 2.88Å; L74-K257 HydrophobicContact CD1-CB 4.2Å; L74-K257 HydrophobicContact CD1-CD 4.13Å
75	T	94.9	Very high	86.8	Confident	47 Å²	47	77.9 Å²	77.9	29%	0.288	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	160.7	170.9	68.5	0	0	0	0	111	E77 Q78 I79	T75-E77 PolarHBondContact O-N 3.41Å; T75-Q78 PolarHBondContact O-N 3.38Å; T75-Q78 VanDerWaalsContact O-N 3.11Å; T75-Q78 WeakPolarHBondContact OG1-CG 3.28Å; T75-Q78 PolarHBondContact OG1-N 3.5Å; T75-Q78 PolarHBondContact OG1-OE1 3.4Å; T75-I79 WeakPolarHBondContact O-CG1 3.13Å; T75-I79 PolarHBondContact O-N 3.48Å
76	A	91.1	Very high	89.4	Confident	1 Å²	1	69.9 Å²	69.9	1%	0.008	33%	0.333	C	S	.	.	H	α-helix	trans	-54.4	-36.3	172.7	0	0	0	0	0	112.6	I79 L80 L227 Q230 H253	A76-I79 PolarHBondContact O-N 2.7Å; A76-L80 WeakPolarHBondContact O-CB 3.06Å; A76-L80 PolarHBondContact O-N 3.15Å; A76-L227 HydrophobicContact CB-CD1 3.78Å; A76-Q230 HydrophobicContact CB-CB 4.33Å; A76-H253 HydrophobicContact CB-CB 4.18Å; A76-H253 WeakPolarHBondContact CB-O 3.42Å; A76-H253 PolarHBondContact N-O 3.11Å
77	E	90.8	Very high	91.5	Very high	80 Å²	80	62.5 Å²	62.5	37%	0.374	30%	0.299	S	S	.	.	H	α-helix	trans	-64.1	-45	176	-178.7	60.9	-146.4	0	0	112	T75 I79 L80 Q81 Q230	T75-E77 PolarHBondContact O-N 3.41Å; E77-I79 VanDerWaalsContact C-N 3.32Å; E77-I79 PolarHBondContact O-N 3.49Å; E77-L80 WeakPolarHBondContact O-CB 3.14Å; E77-L80 PolarHBondContact O-N 3.42Å; E77-Q81 WeakPolarHBondContact O-CG 3.25Å; E77-Q81 PolarHBondContact O-N 2.93Å; E77-Q81 PolarHBondContact OE1-NE2 3.29Å; E77-Q230 PolarHBondContact OE2-NE2 2.89Å
78	Q	94.8	Very high	93.4	Very high	68 Å²	68	59.8 Å²	59.8	32%	0.318	28%	0.281	S	S	.	.	H	α-helix	trans	-63.8	-39.5	177	-69.7	173.6	-60.9	0	0	111.4	L74 T75 Q81 H82	L74-Q78 HydrophobicContact CB-CB 4.33Å; L74-Q78 HydrophobicContact CD2-CB 4.38Å; T75-Q78 PolarHBondContact O-N 3.38Å; T75-Q78 VanDerWaalsContact O-N 3.11Å; T75-Q78 WeakPolarHBondContact OG1-CG 3.28Å; T75-Q78 PolarHBondContact OG1-N 3.5Å; T75-Q78 PolarHBondContact OG1-OE1 3.4Å; Q78-Q81 PolarHBondContact O-N 3.27Å; Q78-H82 PolarHBondContact O-CD2 3.35Å; Q78-H82 PolarHBondContact O-N 3.09Å; Q78-H82 VanDerWaalsContact O-N 3.09Å
79	I	95.1	Very high	94	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-65.6	-41.5	175.3	-64.9	-67.2	0	0	0	111.2	L74 T75 A76 E77 Q81 H82 M83 T234 F237 V238 L244 V255	L74-I79 HydrophobicContact CB-CD1 3.99Å; L74-I79 HydrophobicContact CB-CG1 4.08Å; L74-I79 HydrophobicContact CD1-CD1 3.59Å; L74-I79 HydrophobicContact CG-CD1 4.44Å; T75-I79 WeakPolarHBondContact O-CG1 3.13Å; T75-I79 PolarHBondContact O-N 3.48Å; A76-I79 PolarHBondContact O-N 2.7Å; E77-I79 VanDerWaalsContact C-N 3.32Å; E77-I79 PolarHBondContact O-N 3.49Å; I79-Q81 VanDerWaalsContact C-N 3.3Å; I79-Q81 PolarHBondContact O-N 3.02Å; I79-H82 PolarHBondContact O-N 2.8Å; I79-M83 WeakPolarHBondContact O-CB 3.23Å; I79-M83 PolarHBondContact O-N 3.15Å; I79-T234 HydrophobicContact CG2-CG2 4.06Å; I79-F237 HydrophobicContact CG2-CD1 3.99Å; I79-F237 HydrophobicContact CG2-CE1 4.33Å; I79-V238 HydrophobicContact CG2-CG2 3.8Å; I79-L244 HydrophobicContact CD1-CD1 4.33Å; I79-L244 HydrophobicContact CD1-CD2 4.46Å; I79-V255 HydrophobicContact CD1-CB 3.89Å; I79-V255 HydrophobicContact CD1-CG1 3.89Å; I79-V255 HydrophobicContact CD1-CG2 4.22Å; I79-V255 HydrophobicContact CG1-CB 3.82Å; I79-V255 HydrophobicContact CG1-CG1 4.35Å; I79-V255 HydrophobicContact CG1-CG2 3.77Å
80	L	92.9	Very high	94.1	Very high	23 Å²	23	56.6 Å²	56.6	12%	0.12	26%	0.263	C	S	.	.	H	α-helix	trans	-59.2	-42.5	174.3	178.1	60.3	0	0	0	111.2	A76 E77 M83 V84 Q230 I233 T234	A76-L80 WeakPolarHBondContact O-CB 3.06Å; A76-L80 PolarHBondContact O-N 3.15Å; E77-L80 WeakPolarHBondContact O-CB 3.14Å; E77-L80 PolarHBondContact O-N 3.42Å; L80-M83 HydrophobicContact CD1-CE 3.59Å; L80-M83 WeakPolarHBondContact O-CB 3.27Å; L80-M83 PolarHBondContact O-N 3.36Å; L80-V84 HydrophobicContact CD1-CG2 4.12Å; L80-V84 HydrophobicContact CG-CG2 4.4Å; L80-V84 WeakPolarHBondContact O-CB 3.48Å; L80-V84 VanDerWaalsContact O-CG2 3.27Å; L80-V84 WeakPolarHBondContact O-CG2 3.3Å; L80-V84 PolarHBondContact O-N 3.08Å; L80-Q230 HydrophobicContact CD2-CG 3.99Å; L80-I233 HydrophobicContact CD1-CD1 3.78Å; L80-I233 HydrophobicContact CD1-CG1 4.46Å; L80-T234 HydrophobicContact CB-CG2 4.1Å; L80-T234 HydrophobicContact CD1-CG2 4.12Å
81	Q	93.1	Very high	94	Very high	112 Å²	112	50 Å²	50	52%	0.523	24%	0.242	S	C	.	.	H	α-helix	trans	-62	-44.7	176.6	-70.6	170.2	4.8	0	0	112.1	E77 Q78 I79 M83 V84 E85	E77-Q81 WeakPolarHBondContact O-CG 3.25Å; E77-Q81 PolarHBondContact O-N 2.93Å; E77-Q81 PolarHBondContact OE1-NE2 3.29Å; Q78-Q81 PolarHBondContact O-N 3.27Å; I79-Q81 VanDerWaalsContact C-N 3.3Å; I79-Q81 PolarHBondContact O-N 3.02Å; Q81-M83 VanDerWaalsContact C-N 3.32Å; Q81-M83 PolarHBondContact O-N 2.95Å; Q81-V84 PolarHBondContact O-N 3.3Å; Q81-E85 PolarHBondContact O-N 3.19Å
82	H	93.7	Very high	93.8	Very high	97 Å²	97	52 Å²	52	45%	0.449	25%	0.252	S	S	.	.	H	α-helix	trans	-62	-40.1	174	-71.8	-56.2	0	0	0	112.6	Q78 I79 E85 C86 F237	Q78-H82 PolarHBondContact O-CD2 3.35Å; Q78-H82 PolarHBondContact O-N 3.09Å; Q78-H82 VanDerWaalsContact O-N 3.09Å; I79-H82 PolarHBondContact O-N 2.8Å; H82-E85 PolarHBondContact O-N 3.15Å; H82-C86 PolarHBondContact O-N 2.87Å; H82-F237 HydrophobicContact CB-CE1 4.37Å; H82-F237 HydrophobicContact CB-CZ 4.43Å
83	M	94.6	Very high	93.5	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-65.4	-44.4	177	-171.5	-177.2	70.6	0	0	111.4	I79 L80 Q81 E85 C86 I87 R102 W110 I233 T234 F237	I79-M83 WeakPolarHBondContact O-CB 3.23Å; I79-M83 PolarHBondContact O-N 3.15Å; L80-M83 HydrophobicContact CD1-CE 3.59Å; L80-M83 WeakPolarHBondContact O-CB 3.27Å; L80-M83 PolarHBondContact O-N 3.36Å; Q81-M83 VanDerWaalsContact C-N 3.32Å; Q81-M83 PolarHBondContact O-N 2.95Å; M83-E85 VanDerWaalsContact C-N 3.31Å; M83-E85 PolarHBondContact O-N 3.2Å; M83-C86 WeakPolarHBondContact O-CB 3.23Å; M83-C86 PolarHBondContact O-N 3.04Å; M83-I87 HydrophobicContact CE-CD1 4.34Å; M83-I87 HydrophobicContact CG-CD1 4.04Å; M83-I87 VanDerWaalsContact O-CG1 3.28Å; M83-I87 WeakPolarHBondContact O-CG1 3.47Å; M83-I87 PolarHBondContact O-N 3.25Å; M83-R102 HydrophobicContact CE-CG 4.45Å; M83-W110 HydrophobicContact CG-CH2 3.22Å; M83-W110 HydrophobicContact CG-CZ2 3.95Å; M83-W110 HydrophobicContact CG-CZ3 3.77Å; M83-W110 HydrophobicContact SD-CH2 3.52Å; M83-W110 VanDerWaalsContact SD-CH2 3.52Å; M83-W110 HydrophobicContact SD-CZ2 3.7Å; M83-I233 HydrophobicContact CE-CD1 4.32Å; M83-I233 HydrophobicContact CE-CG1 4.26Å; M83-T234 HydrophobicContact CE-CG2 3.81Å; M83-T234 HydrophobicContact SD-CG2 3.9Å; M83-F237 HydrophobicContact CB-CD1 4.11Å; M83-F237 HydrophobicContact CB-CD2 4.42Å; M83-F237 HydrophobicContact CB-CE1 4.32Å; M83-F237 HydrophobicContact CB-CG 4.16Å; M83-F237 HydrophobicContact CG-CB 4.15Å; M83-F237 HydrophobicContact CG-CD1 4.43Å; M83-F237 HydrophobicContact CG-CD2 4.11Å; M83-F237 HydrophobicContact CG-CG 3.98Å; M83-F237 HydrophobicContact SD-CB 3.95Å; M83-F237 HydrophobicContact SD-CG 4.4Å
84	V	93.1	Very high	93.1	Very high	79 Å²	79	50.9 Å²	50.9	48%	0.479	25%	0.251	S	S	.	.	H	α-helix	trans	-61.9	-40.1	177.4	168.2	0	0	0	0	111	L80 Q81 I87 R88	L80-V84 HydrophobicContact CD1-CG2 4.12Å; L80-V84 HydrophobicContact CG-CG2 4.4Å; L80-V84 WeakPolarHBondContact O-CB 3.48Å; L80-V84 VanDerWaalsContact O-CG2 3.27Å; L80-V84 WeakPolarHBondContact O-CG2 3.3Å; L80-V84 PolarHBondContact O-N 3.08Å; Q81-V84 PolarHBondContact O-N 3.3Å; V84-I87 PolarHBondContact O-N 2.62Å; V84-R88 WeakPolarHBondContact O-CB 3.34Å; V84-R88 PolarHBondContact O-N 3.41Å
85	E	93.8	Very high	92.7	Very high	79 Å²	79	58.4 Å²	58.4	37%	0.369	29%	0.286	S	S	.	.	H	α-helix	trans	-64.7	-43.6	175.8	-174.2	59	-164.6	0	0	111.8	Q81 H82 M83 I87 R88 E89	Q81-E85 PolarHBondContact O-N 3.19Å; H82-E85 PolarHBondContact O-N 3.15Å; M83-E85 VanDerWaalsContact C-N 3.31Å; M83-E85 PolarHBondContact O-N 3.2Å; E85-I87 VanDerWaalsContact C-N 3.32Å; E85-I87 PolarHBondContact O-N 3.37Å; E85-R88 VanDerWaalsContact CD-NE 3.32Å; E85-R88 WeakPolarHBondContact O-CB 3.37Å; E85-R88 PolarHBondContact O-N 3.26Å; E85-R88 VanDerWaalsContact O-N 3.14Å; E85-R88 IonicContact OE1-CZ 2.64Å; E85-R88 VanDerWaalsContact OE1-CZ 3.29Å; E85-R88 IonicContact OE1-NE 2.62Å; E85-R88 PolarHBondContact OE1-NE 2.86Å; E85-R88 VanDerWaalsContact OE1-NE 3.14Å; E85-R88 IonicContact OE1-NH2 2.7Å; E85-R88 PolarHBondContact OE1-NH2 3.46Å; E85-R88 IonicContact OE2-CZ 3.82Å; E85-R88 IonicContact OE2-NE 2.8Å; E85-R88 PolarHBondContact OE2-NE 3.1Å; E85-R88 IonicContact OE2-NH2 3.14Å; E85-E89 WeakPolarHBondContact O-CG 2.89Å; E85-E89 PolarHBondContact O-N 2.9Å
86	C	93.4	Very high	92.3	Very high	16 Å²	16	56.7 Å²	56.7	11%	0.108	28%	0.276	C	S	.	.	H	α-helix	trans	-60.6	-40.7	173.6	-178.5	0	0	0	0	112.4	H82 M83 R88 V90 K112 F237	H82-C86 PolarHBondContact O-N 2.87Å; M83-C86 WeakPolarHBondContact O-CB 3.23Å; M83-C86 PolarHBondContact O-N 3.04Å; C86-R88 VanDerWaalsContact C-N 3.35Å; C86-V90 WeakPolarHBondContact O-CG2 3.38Å; C86-V90 PolarHBondContact O-N 2.95Å; C86-K112 WeakPolarHBondContact SG-CE 3Å; C86-F237 HydrophobicContact CB-CE2 4.42Å
87	I	93.8	Very high	92.2	Very high	8 Å²	8	59.4 Å²	59.4	4%	0.041	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-44.8	174.6	-69.7	160.4	0	0	0	109.7	M83 V84 E85 E89 V90 N91 A98 T101 R102 L105 W110	M83-I87 HydrophobicContact CE-CD1 4.34Å; M83-I87 HydrophobicContact CG-CD1 4.04Å; M83-I87 VanDerWaalsContact O-CG1 3.28Å; M83-I87 WeakPolarHBondContact O-CG1 3.47Å; M83-I87 PolarHBondContact O-N 3.25Å; V84-I87 PolarHBondContact O-N 2.62Å; E85-I87 VanDerWaalsContact C-N 3.32Å; E85-I87 PolarHBondContact O-N 3.37Å; I87-E89 PolarHBondContact O-N 3.39Å; I87-V90 PolarHBondContact O-N 2.96Å; I87-N91 VanDerWaalsContact O-CB 3.23Å; I87-N91 WeakPolarHBondContact O-CB 3.22Å; I87-N91 PolarHBondContact O-N 3.14Å; I87-A98 HydrophobicContact CG2-CB 4.19Å; I87-T101 HydrophobicContact CG2-CG2 3.99Å; I87-R102 HydrophobicContact CD1-CB 3.74Å; I87-R102 HydrophobicContact CD1-CG 4.05Å; I87-R102 HydrophobicContact CG1-CB 4.41Å; I87-L105 HydrophobicContact CG1-CD1 4.02Å; I87-W110 HydrophobicContact CD1-CH2 4.24Å; I87-W110 HydrophobicContact CG1-CH2 4.19Å; I87-W110 HydrophobicContact CG1-CZ3 4.11Å
88	R	93.5	Very high	92.2	Very high	112 Å²	112	58.1 Å²	58.1	42%	0.423	30%	0.296	S	S	.	.	H	α-helix	trans	-57.3	-48.7	-179	-168.7	-170.2	70.4	67.8	8.7	111.4	V84 E85 C86 V90 N91 E92	V84-R88 WeakPolarHBondContact O-CB 3.34Å; V84-R88 PolarHBondContact O-N 3.41Å; E85-R88 VanDerWaalsContact CD-NE 3.32Å; E85-R88 WeakPolarHBondContact O-CB 3.37Å; E85-R88 PolarHBondContact O-N 3.26Å; E85-R88 VanDerWaalsContact O-N 3.14Å; E85-R88 IonicContact OE1-CZ 2.64Å; E85-R88 VanDerWaalsContact OE1-CZ 3.29Å; E85-R88 IonicContact OE1-NE 2.62Å; E85-R88 PolarHBondContact OE1-NE 2.86Å; E85-R88 VanDerWaalsContact OE1-NE 3.14Å; E85-R88 IonicContact OE1-NH2 2.7Å; E85-R88 PolarHBondContact OE1-NH2 3.46Å; E85-R88 IonicContact OE2-CZ 3.82Å; E85-R88 IonicContact OE2-NE 2.8Å; E85-R88 PolarHBondContact OE2-NE 3.1Å; E85-R88 IonicContact OE2-NH2 3.14Å; C86-R88 VanDerWaalsContact C-N 3.35Å; R88-V90 PolarHBondContact O-N 3.03Å; R88-N91 PolarHBondContact O-N 2.83Å; R88-N91 VanDerWaalsContact O-N 3.1Å; R88-E92 IonicContact CZ-OE1 3.68Å; R88-E92 IonicContact NH1-OE1 2.78Å; R88-E92 PolarHBondContact NH1-OE1 2.99Å; R88-E92 IonicContact NH2-OE1 3.6Å; R88-E92 PolarHBondContact O-N 2.86Å
89	E	93.1	Very high	91.9	Very high	84 Å²	84	55.4 Å²	55.4	39%	0.393	28%	0.284	S	S	.	.	H	α-helix	trans	-55.7	-46.7	177.1	-70.1	172.4	-174.1	0	0	112.4	E85 I87 N91 E92 K112	E85-E89 WeakPolarHBondContact O-CG 2.89Å; E85-E89 PolarHBondContact O-N 2.9Å; I87-E89 PolarHBondContact O-N 3.39Å; E89-N91 VanDerWaalsContact C-N 3.3Å; E89-N91 PolarHBondContact O-N 2.76Å; E89-E92 PolarHBondContact O-N 3.48Å; E89-K112 IonicContact OE2-NZ 3.59Å; E89-K112 PolarHBondContact OE2-NZ 3.26Å
90	V	93.1	Very high	91.6	Very high	9 Å²	9	56.3 Å²	56.3	6%	0.055	29%	0.289	C	S	.	.	H	α-helix	trans	-67.9	-36	178.1	173.8	0	0	0	0	110.8	C86 I87 R88 E92 V93 I94 T101 L105 K112 L115	C86-V90 WeakPolarHBondContact O-CG2 3.38Å; C86-V90 PolarHBondContact O-N 2.95Å; I87-V90 PolarHBondContact O-N 2.96Å; R88-V90 PolarHBondContact O-N 3.03Å; V90-E92 VanDerWaalsContact C-N 3.31Å; V90-E92 PolarHBondContact O-N 3.14Å; V90-V93 PolarHBondContact O-N 2.87Å; V90-I94 HydrophobicContact CG1-CD1 3.64Å; V90-I94 HydrophobicContact CG1-CG1 4.32Å; V90-I94 PolarHBondContact O-N 2.88Å; V90-T101 HydrophobicContact CB-CG2 4.26Å; V90-T101 HydrophobicContact CG1-CG2 3.87Å; V90-L105 HydrophobicContact CB-CD1 4.37Å; V90-L105 HydrophobicContact CG1-CD2 4.49Å; V90-L105 HydrophobicContact CG2-CD1 4.21Å; V90-L105 HydrophobicContact CG2-CD2 4.12Å; V90-K112 HydrophobicContact CG2-CD 4.18Å; V90-K112 HydrophobicContact CG2-CG 4.04Å; V90-L115 HydrophobicContact CG1-CD2 3.94Å
91	N	91.5	Very high	91.6	Very high	37 Å²	37	55.2 Å²	55.2	20%	0.198	28%	0.283	C	S	.	.	H	α-helix	trans	-74.1	-19.3	-176.7	-146.7	41.1	0	0	0	113.9	I87 R88 E89 V93 Q95 N96 T101	I87-N91 VanDerWaalsContact O-CB 3.23Å; I87-N91 WeakPolarHBondContact O-CB 3.22Å; I87-N91 PolarHBondContact O-N 3.14Å; R88-N91 PolarHBondContact O-N 2.83Å; R88-N91 VanDerWaalsContact O-N 3.1Å; E89-N91 VanDerWaalsContact C-N 3.3Å; E89-N91 PolarHBondContact O-N 2.76Å; N91-V93 PolarHBondContact O-N 3.31Å; N91-Q95 WeakPolarHBondContact O-CA 3.3Å; N91-Q95 PolarHBondContact O-N 3.41Å; N91-N96 VanDerWaalsContact CG-O 3.23Å; N91-N96 PolarHBondContact ND2-O 2.73Å; N91-N96 PolarHBondContact OD1-N 3.08Å; N91-N96 PolarHBondContact OD1-O 3.26Å; N91-T101 PolarHBondContact OD1-OG1 2.66Å
92	E	91.9	Very high	91.5	Very high	121 Å²	121	50 Å²	50	57%	0.565	26%	0.258	S	S	*	.	H	α-helix	trans	-57.7	-29.7	170.6	-72.5	179	-178.8	0	0	112	R88 E89 V90	R88-E92 IonicContact CZ-OE1 3.68Å; R88-E92 IonicContact NH1-OE1 2.78Å; R88-E92 PolarHBondContact NH1-OE1 2.99Å; R88-E92 IonicContact NH2-OE1 3.6Å; R88-E92 PolarHBondContact O-N 2.86Å; E89-E92 PolarHBondContact O-N 3.48Å; V90-E92 VanDerWaalsContact C-N 3.31Å; V90-E92 PolarHBondContact O-N 3.14Å
93	V	91	Very high	91.4	Very high	81 Å²	81	45.9 Å²	45.9	49%	0.491	24%	0.24	S	C	.	.	H	α-helix	trans	-97.9	-44.4	179.7	-167.8	0	0	0	0	112	V90 N91 M116 F120	V90-V93 PolarHBondContact O-N 2.87Å; N91-V93 PolarHBondContact O-N 3.31Å; V93-M116 HydrophobicContact CB-CE 3.78Å; V93-M116 HydrophobicContact CG1-CE 3.59Å; V93-M116 HydrophobicContact CG2-CE 4.07Å; V93-F120 HydrophobicContact CG1-CE2 4.2Å; V93-F120 HydrophobicContact CG1-CZ 3.92Å
94	I	88.4	Confident	91.2	Very high	9 Å²	9	45.8 Å²	45.8	5%	0.046	24%	0.239	C	C	.	.	H	α-helix	trans	-82.7	-28.7	-171.9	-66.7	-175	0	0	0	113.1	V90 N96 L115 M116 Y119	V90-I94 HydrophobicContact CG1-CD1 3.64Å; V90-I94 HydrophobicContact CG1-CG1 4.32Å; V90-I94 PolarHBondContact O-N 2.88Å; I94-N96 VanDerWaalsContact C-N 3.32Å; I94-N96 HydrophobicContact CG2-CB 4.03Å; I94-N96 WeakPolarHBondContact CG2-ND2 3.38Å; I94-N96 PolarHBondContact O-N 3.2Å; I94-L115 HydrophobicContact CD1-CD2 4.06Å; I94-L115 HydrophobicContact CD1-CG 4.18Å; I94-M116 HydrophobicContact CD1-SD 3.81Å; I94-M116 HydrophobicContact CG1-SD 3.91Å; I94-Y119 HydrophobicContact CB-CE1 4.46Å; I94-Y119 HydrophobicContact CD1-CD2 4.23Å; I94-Y119 HydrophobicContact CD1-CG 4.19Å; I94-Y119 HydrophobicContact CG1-CD1 4.21Å; I94-Y119 HydrophobicContact CG1-CE1 4.32Å; I94-Y119 HydrophobicContact CG1-CG 4.39Å; I94-Y119 HydrophobicContact CG2-CD2 4.29Å; I94-Y119 HydrophobicContact CG2-CE1 3.92Å; I94-Y119 HydrophobicContact CG2-CE2 3.68Å; I94-Y119 VanDerWaalsContact CG2-CZ 3.48Å
95	Q	88.8	Confident	91.2	Very high	160 Å²	160	42 Å²	42	75%	0.748	22%	0.216	S	C	*	.			trans	54	36.5	178	-56.8	-176.8	6.9	0	0	115.5	N91	N91-Q95 WeakPolarHBondContact O-CA 3.3Å; N91-Q95 PolarHBondContact O-N 3.41Å
96	N	87.6	Confident	91.2	Very high	12 Å²	12	39.4 Å²	39.4	6%	0.064	21%	0.207	C	C	.	.			trans	-93.5	166.1	175	-77.4	-29	0	0	0	111.8	N91 I94 A98 Y119 P136	N91-N96 VanDerWaalsContact CG-O 3.23Å; N91-N96 PolarHBondContact ND2-O 2.73Å; N91-N96 PolarHBondContact OD1-N 3.08Å; N91-N96 PolarHBondContact OD1-O 3.26Å; I94-N96 VanDerWaalsContact C-N 3.32Å; I94-N96 HydrophobicContact CG2-CB 4.03Å; I94-N96 WeakPolarHBondContact CG2-ND2 3.38Å; I94-N96 PolarHBondContact O-N 3.2Å; N96-A98 PolarHBondContact O-N 3.28Å; N96-Y119 PolarHBondContact ND2-OH 3.2Å; N96-Y119 VanDerWaalsContact ND2-OH 3.08Å; N96-P136 VanDerWaalsContact OD1-CG 3.3Å; N96-P136 WeakPolarHBondContact OD1-CG 3.47Å
97	P	88.6	Confident	91	Very high	58 Å²	58	42.9 Å²	42.9	38%	0.377	22%	0.221	S	C	.	.			trans	-57.8	138.5	167.3	-23.3	34.1	0	0	0	110.9	T99 I100 T101 P136	P97-T99 VanDerWaalsContact C-N 3.27Å; P97-T99 PolarHBondContact O-N 3.43Å; P97-T99 VanDerWaalsContact O-N 3.17Å; P97-I100 HydrophobicContact CB-CG1 4.07Å; P97-I100 HydrophobicContact CG-CG1 4.25Å; P97-I100 WeakPolarHBondContact O-CA 3.46Å; P97-I100 WeakPolarHBondContact O-CB 3.24Å; P97-I100 PolarHBondContact O-N 3.22Å; P97-T101 PolarHBondContact O-N 2.79Å; P97-T101 PolarHBondContact O-OG1 2.88Å; P97-P136 HydrophobicContact CG-CB 4.34Å
98	A	90.3	Very high	90.9	Very high	52 Å²	52	44.2 Å²	44.2	43%	0.43	23%	0.227	S	C	.	.	H	α-helix	trans	-55.2	-39.9	-172.4	0	0	0	0	0	113.5	I87 N96 I100 T101 R102	I87-A98 HydrophobicContact CG2-CB 4.19Å; N96-A98 PolarHBondContact O-N 3.28Å; A98-I100 VanDerWaalsContact C-N 3.29Å; A98-I100 PolarHBondContact O-N 2.9Å; A98-T101 PolarHBondContact O-N 3.42Å; A98-R102 PolarHBondContact O-N 3.47Å
99	T	88.6	Confident	90.9	Very high	12 Å²	12	44.3 Å²	44.3	7%	0.074	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-35.3	177.1	-57.7	0	0	0	0	112.4	P97 R102 I103 D212 D213	P97-T99 VanDerWaalsContact C-N 3.27Å; P97-T99 PolarHBondContact O-N 3.43Å; P97-T99 VanDerWaalsContact O-N 3.17Å; T99-R102 WeakPolarHBondContact O-CB 3.31Å; T99-I103 HydrophobicContact CG2-CD1 4.47Å; T99-I103 WeakPolarHBondContact O-CD1 3.24Å; T99-I103 WeakPolarHBondContact O-CG1 3.47Å; T99-I103 PolarHBondContact O-N 2.92Å; T99-D212 WeakPolarHBondContact OG1-CA 3.28Å; T99-D213 PolarHBondContact OG1-N 2.95Å; T99-D213 PolarHBondContact OG1-OD2 3.1Å
100	I	89.1	Confident	90.9	Very high	19 Å²	19	41.7 Å²	41.7	10%	0.097	22%	0.222	C	C	.	.	H	α-helix	trans	-71.9	-44.9	176.2	-59.4	-64.8	0	0	0	110.2	P97 A98 R102 I103 L104 F128 V133 L210	P97-I100 HydrophobicContact CB-CG1 4.07Å; P97-I100 HydrophobicContact CG-CG1 4.25Å; P97-I100 WeakPolarHBondContact O-CA 3.46Å; P97-I100 WeakPolarHBondContact O-CB 3.24Å; P97-I100 PolarHBondContact O-N 3.22Å; A98-I100 VanDerWaalsContact C-N 3.29Å; A98-I100 PolarHBondContact O-N 2.9Å; I100-R102 VanDerWaalsContact C-N 3.27Å; I100-R102 PolarHBondContact O-N 2.94Å; I100-I103 PolarHBondContact O-N 3.11Å; I100-I103 VanDerWaalsContact O-N 3.11Å; I100-L104 HydrophobicContact CG2-CD1 4.26Å; I100-L104 HydrophobicContact CG2-CG 4.47Å; I100-L104 WeakPolarHBondContact O-CG 3.29Å; I100-L104 PolarHBondContact O-N 3.36Å; I100-F128 HydrophobicContact CG2-CD1 4.39Å; I100-F128 HydrophobicContact CG2-CE1 3.63Å; I100-F128 HydrophobicContact CG2-CZ 4.49Å; I100-V133 HydrophobicContact CD1-CB 4.01Å; I100-V133 HydrophobicContact CD1-CG1 3.9Å; I100-L210 HydrophobicContact CD1-CD1 4.02Å
101	T	92.1	Very high	91	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.7	-38.1	175.4	-55	0	0	0	0	111.7	I87 V90 N91 P97 A98 L104 L105	I87-T101 HydrophobicContact CG2-CG2 3.99Å; V90-T101 HydrophobicContact CB-CG2 4.26Å; V90-T101 HydrophobicContact CG1-CG2 3.87Å; N91-T101 PolarHBondContact OD1-OG1 2.66Å; P97-T101 PolarHBondContact O-N 2.79Å; P97-T101 PolarHBondContact O-OG1 2.88Å; A98-T101 PolarHBondContact O-N 3.42Å; T101-L104 PolarHBondContact O-N 3.31Å; T101-L105 HydrophobicContact CG2-CD1 4.09Å; T101-L105 WeakPolarHBondContact O-CB 3.46Å; T101-L105 WeakPolarHBondContact O-CG 3.39Å; T101-L105 PolarHBondContact O-N 3.26Å
102	R	92.6	Very high	91	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-58.2	-47.4	172	-177.8	178.9	58.4	63.8	-6	112.1	M83 I87 A98 T99 I100 L105 S106 W110 Q198 D213	M83-R102 HydrophobicContact CE-CG 4.45Å; I87-R102 HydrophobicContact CD1-CB 3.74Å; I87-R102 HydrophobicContact CD1-CG 4.05Å; I87-R102 HydrophobicContact CG1-CB 4.41Å; A98-R102 PolarHBondContact O-N 3.47Å; T99-R102 WeakPolarHBondContact O-CB 3.31Å; I100-R102 VanDerWaalsContact C-N 3.27Å; I100-R102 PolarHBondContact O-N 2.94Å; R102-L105 PolarHBondContact O-N 3.06Å; R102-S106 VanDerWaalsContact O-CB 3.26Å; R102-S106 WeakPolarHBondContact O-CB 3.42Å; R102-S106 PolarHBondContact O-N 3.46Å; R102-W110 HydrophobicContact CG-CH2 4.21Å; R102-W110 HydrophobicContact CG-CZ2 4.35Å; R102-Q198 PolarHBondContact NH1-O 3.07Å; R102-Q198 VanDerWaalsContact NH1-OE1 3.07Å; R102-Q198 PolarHBondContact NH2-O 2.95Å; R102-D213 IonicContact CZ-OD1 2.66Å; R102-D213 IonicContact NE-OD1 3.29Å; R102-D213 PolarHBondContact NE-OD1 3.4Å; R102-D213 IonicContact NE-OD2 3.9Å; R102-D213 PolarHBondContact NE-OD2 3.28Å; R102-D213 IonicContact NH2-OD1 2.86Å; R102-D213 PolarHBondContact NH2-OD1 3.17Å
103	I	90.6	Very high	91.1	Very high	11 Å²	11	46.9 Å²	46.9	6%	0.056	25%	0.245	C	C	.	.	H	α-helix	trans	-66	-42.4	-179.4	-66.7	163.4	0	0	0	110.8	T99 I100 S106 H107 C131 V133 T199 L210	T99-I103 HydrophobicContact CG2-CD1 4.47Å; T99-I103 WeakPolarHBondContact O-CD1 3.24Å; T99-I103 WeakPolarHBondContact O-CG1 3.47Å; T99-I103 PolarHBondContact O-N 2.92Å; I100-I103 PolarHBondContact O-N 3.11Å; I100-I103 VanDerWaalsContact O-N 3.11Å; I103-S106 WeakPolarHBondContact O-CB 3.37Å; I103-S106 PolarHBondContact O-N 3.3Å; I103-H107 PolarHBondContact O-N 2.83Å; I103-C131 HydrophobicContact CG2-CB 4.33Å; I103-V133 HydrophobicContact CB-CG1 4.34Å; I103-V133 HydrophobicContact CD1-CG1 3.74Å; I103-V133 HydrophobicContact CG2-CG1 3.91Å; I103-T199 HydrophobicContact CD1-CG2 4.12Å; I103-L210 HydrophobicContact CD1-CD1 3.28Å
104	L	91.6	Very high	91.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.1	-49.6	174.9	-66.9	175.1	0	0	0	110.9	I100 T101 S106 H107 F108 L115 Y119 L127 F128 C131	I100-L104 HydrophobicContact CG2-CD1 4.26Å; I100-L104 HydrophobicContact CG2-CG 4.47Å; I100-L104 WeakPolarHBondContact O-CG 3.29Å; I100-L104 PolarHBondContact O-N 3.36Å; T101-L104 PolarHBondContact O-N 3.31Å; L104-S106 VanDerWaalsContact C-N 3.34Å; L104-S106 PolarHBondContact O-N 2.89Å; L104-H107 WeakPolarHBondContact O-CB 3.29Å; L104-H107 PolarHBondContact O-N 3.36Å; L104-F108 VanDerWaalsContact O-CD2 3.29Å; L104-F108 WeakPolarHBondContact O-CD2 3.36Å; L104-F108 PolarHBondContact O-N 3.09Å; L104-L115 HydrophobicContact CB-CD1 3.9Å; L104-L115 HydrophobicContact CB-CD2 4.34Å; L104-Y119 HydrophobicContact CD1-CE2 4.47Å; L104-L127 HydrophobicContact CD2-CD1 4.17Å; L104-L127 HydrophobicContact CD2-CD2 4.26Å; L104-L127 HydrophobicContact CD2-CG 4.04Å; L104-F128 HydrophobicContact CD1-CZ 4.36Å; L104-C131 HydrophobicContact CD2-CB 4.2Å
105	L	93.2	Very high	91.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.8	-43.7	176.7	-77.1	166.6	0	0	0	112.2	I87 V90 T101 R102 H107 F108 N109 W110 L115	I87-L105 HydrophobicContact CG1-CD1 4.02Å; V90-L105 HydrophobicContact CB-CD1 4.37Å; V90-L105 HydrophobicContact CG1-CD2 4.49Å; V90-L105 HydrophobicContact CG2-CD1 4.21Å; V90-L105 HydrophobicContact CG2-CD2 4.12Å; T101-L105 HydrophobicContact CG2-CD1 4.09Å; T101-L105 WeakPolarHBondContact O-CB 3.46Å; T101-L105 WeakPolarHBondContact O-CG 3.39Å; T101-L105 PolarHBondContact O-N 3.26Å; R102-L105 PolarHBondContact O-N 3.06Å; L105-H107 VanDerWaalsContact C-N 3.31Å; L105-H107 PolarHBondContact O-N 3.32Å; L105-F108 CarbonylContact O-C 3.5Å; L105-F108 PolarHBondContact O-N 2.87Å; L105-F108 VanDerWaalsContact O-N 3.15Å; L105-N109 PolarHBondContact O-N 3.14Å; L105-W110 HydrophobicContact CB-CD2 4.07Å; L105-W110 HydrophobicContact CB-CE3 3.79Å; L105-W110 HydrophobicContact CB-CH2 4.35Å; L105-W110 HydrophobicContact CB-CZ3 3.95Å; L105-W110 HydrophobicContact CD1-CE3 4.05Å; L105-W110 HydrophobicContact CD1-CZ3 3.76Å; L105-W110 HydrophobicContact CG-CE3 4.37Å; L105-W110 HydrophobicContact CG-CZ3 4.45Å; L105-W110 WeakPolarHBondContact O-CA 3.37Å; L105-W110 PolarHBondContact O-N 3.41Å; L105-L115 HydrophobicContact CD2-CD2 3.53Å; L105-L115 HydrophobicContact CG-CD2 3.77Å
106	S	91.9	Very high	91.6	Very high	24 Å²	24	42.9 Å²	42.9	17%	0.168	22%	0.22	C	C	.	.	H	α-helix	trans	-56.9	-43.8	175.7	-176.3	0	0	0	0	111.8	R102 I103 L104 F108 N109 Q198 S236	R102-S106 VanDerWaalsContact O-CB 3.26Å; R102-S106 WeakPolarHBondContact O-CB 3.42Å; R102-S106 PolarHBondContact O-N 3.46Å; I103-S106 WeakPolarHBondContact O-CB 3.37Å; I103-S106 PolarHBondContact O-N 3.3Å; L104-S106 VanDerWaalsContact C-N 3.34Å; L104-S106 PolarHBondContact O-N 2.89Å; S106-F108 VanDerWaalsContact C-N 3.3Å; S106-F108 PolarHBondContact O-N 3.28Å; S106-N109 PolarHBondContact O-N 3.5Å; S106-N109 VanDerWaalsContact O-N 3.1Å; S106-Q198 PolarHBondContact OG-NE2 3.26Å; S106-Q198 PolarHBondContact OG-OE1 3.45Å; S106-S236 WeakPolarHBondContact OG-CB 3.34Å; S106-S236 PolarHBondContact OG-OG 3Å
107	H	90.5	Very high	91.7	Very high	90 Å²	90	49 Å²	49	42%	0.417	25%	0.248	S	C	.	.	H	α-helix	trans	-62.8	-33.2	177.4	-177.9	-89.5	0	0	0	113.3	I103 L104 L105 N109	I103-H107 PolarHBondContact O-N 2.83Å; L104-H107 WeakPolarHBondContact O-CB 3.29Å; L104-H107 PolarHBondContact O-N 3.36Å; L105-H107 VanDerWaalsContact C-N 3.31Å; L105-H107 PolarHBondContact O-N 3.32Å; H107-N109 VanDerWaalsContact C-N 3.32Å
108	F	92.1	Very high	91.8	Very high	35 Å²	35	48.7 Å²	48.7	15%	0.154	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	21.1	175.2	-70.4	-83	0	0	0	113.5	L104 L105 S106 W110 D111 K114 L115 R118 L127	L104-F108 VanDerWaalsContact O-CD2 3.29Å; L104-F108 WeakPolarHBondContact O-CD2 3.36Å; L104-F108 PolarHBondContact O-N 3.09Å; L105-F108 CarbonylContact O-C 3.5Å; L105-F108 PolarHBondContact O-N 2.87Å; L105-F108 VanDerWaalsContact O-N 3.15Å; S106-F108 VanDerWaalsContact C-N 3.3Å; S106-F108 PolarHBondContact O-N 3.28Å; F108-W110 PolarHBondContact O-N 2.81Å; F108-W110 VanDerWaalsContact O-N 3.14Å; F108-D111 VanDerWaalsContact O-CB 3.24Å; F108-D111 WeakPolarHBondContact O-CB 3.48Å; F108-D111 PolarHBondContact O-N 3.26Å; F108-K114 HydrophobicContact CD1-CB 4.02Å; F108-L115 HydrophobicContact CB-CB 4.41Å; F108-L115 HydrophobicContact CD2-CB 4.06Å; F108-L115 HydrophobicContact CD2-CD1 3.71Å; F108-L115 HydrophobicContact CD2-CG 4.46Å; F108-L115 HydrophobicContact CE2-CD1 3.8Å; F108-L115 HydrophobicContact CG-CB 4.26Å; F108-R118 HydrophobicContact CE1-CB 4.2Å; F108-R118 HydrophobicContact CE1-CG 4.39Å; F108-R118 HydrophobicContact CZ-CB 3.93Å; F108-R118 HydrophobicContact CZ-CG 3.86Å; F108-L127 HydrophobicContact CE2-CD1 3.66Å; F108-L127 HydrophobicContact CZ-CD1 3.87Å
109	N	92.1	Very high	91.7	Very high	114 Å²	114	47.3 Å²	47.3	61%	0.61	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	34.6	-179.7	-57.6	104.8	0	0	0	113.3	L105 S106 H107 D111 C240	L105-N109 PolarHBondContact O-N 3.14Å; S106-N109 PolarHBondContact O-N 3.5Å; S106-N109 VanDerWaalsContact O-N 3.1Å; H107-N109 VanDerWaalsContact C-N 3.32Å; N109-D111 PolarHBondContact O-N 2.99Å; N109-C240 HydrophobicContact CB-CB 4.48Å; N109-C240 WeakPolarHBondContact O-CB 3.28Å
110	W	94.6	Very high	91.7	Very high	29 Å²	29	53 Å²	53	11%	0.11	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	19.4	-177.7	-61.6	84.3	0	0	0	114.9	M83 I87 R102 L105 F108 K112 S236 F237 C240	M83-W110 HydrophobicContact CG-CH2 3.22Å; M83-W110 HydrophobicContact CG-CZ2 3.95Å; M83-W110 HydrophobicContact CG-CZ3 3.77Å; M83-W110 HydrophobicContact SD-CH2 3.52Å; M83-W110 VanDerWaalsContact SD-CH2 3.52Å; M83-W110 HydrophobicContact SD-CZ2 3.7Å; I87-W110 HydrophobicContact CD1-CH2 4.24Å; I87-W110 HydrophobicContact CG1-CH2 4.19Å; I87-W110 HydrophobicContact CG1-CZ3 4.11Å; R102-W110 HydrophobicContact CG-CH2 4.21Å; R102-W110 HydrophobicContact CG-CZ2 4.35Å; L105-W110 HydrophobicContact CB-CD2 4.07Å; L105-W110 HydrophobicContact CB-CE3 3.79Å; L105-W110 HydrophobicContact CB-CH2 4.35Å; L105-W110 HydrophobicContact CB-CZ3 3.95Å; L105-W110 HydrophobicContact CD1-CE3 4.05Å; L105-W110 HydrophobicContact CD1-CZ3 3.76Å; L105-W110 HydrophobicContact CG-CE3 4.37Å; L105-W110 HydrophobicContact CG-CZ3 4.45Å; L105-W110 WeakPolarHBondContact O-CA 3.37Å; L105-W110 PolarHBondContact O-N 3.41Å; F108-W110 PolarHBondContact O-N 2.81Å; F108-W110 VanDerWaalsContact O-N 3.14Å; W110-K112 PolarHBondContact O-N 3.1Å; W110-S236 VanDerWaalsContact NE1-C 3.33Å; W110-S236 PolarHBondContact NE1-OG 3.14Å; W110-F237 HydrophobicContact CD2-CB 4.21Å; W110-F237 AromaticContact CD2-CD2 3.64Å; W110-F237 HydrophobicContact CD2-CD2 3.64Å; W110-F237 HydrophobicContact CD2-CG 4.43Å; W110-F237 AromaticContact CE2-CD2 3.96Å; W110-F237 AromaticContact CE3-CD2 3.55Å; W110-F237 HydrophobicContact CE3-CD2 3.55Å; W110-F237 HydrophobicContact CE3-CE2 4.16Å; W110-F237 HydrophobicContact CG-CD2 4.22Å; W110-F237 HydrophobicContact CH2-CB 4.3Å; W110-F237 HydrophobicContact CH2-CD2 4.14Å; W110-F237 HydrophobicContact CZ2-CB 3.72Å; W110-F237 HydrophobicContact CZ2-CD2 4.22Å; W110-F237 HydrophobicContact CZ2-CG 4.41Å; W110-F237 AromaticContact CZ3-CD2 3.8Å; W110-F237 HydrophobicContact CZ3-CD2 3.8Å; W110-F237 HydrophobicContact CZ3-CE2 4.4Å; W110-F237 VanDerWaalsContact NE1-CA 3.34Å; W110-C240 HydrophobicContact CB-CB 4.45Å
111	D	93.2	Very high	91.6	Very high	49 Å²	49	57.5 Å²	57.5	26%	0.262	27%	0.271	S	S	.	.			trans	-78.6	101.7	170.4	-168.8	-34.8	0	0	0	110.1	F108 N109 E113 K114 L115	F108-D111 VanDerWaalsContact O-CB 3.24Å; F108-D111 WeakPolarHBondContact O-CB 3.48Å; F108-D111 PolarHBondContact O-N 3.26Å; N109-D111 PolarHBondContact O-N 2.99Å; D111-E113 VanDerWaalsContact C-N 3.3Å; D111-E113 PolarHBondContact O-N 3.36Å; D111-E113 PolarHBondContact OD1-N 3.15Å; D111-E113 VanDerWaalsContact OD1-N 3.15Å; D111-K114 HydrophobicContact CB-CB 4.21Å; D111-K114 HydrophobicContact CB-CD 4.2Å; D111-K114 HydrophobicContact CB-CG 4.33Å; D111-K114 PolarHBondContact OD1-N 3.4Å; D111-K114 VanDerWaalsContact OD1-N 3.15Å; D111-K114 VanDerWaalsContact OD2-CD 3.3Å; D111-K114 WeakPolarHBondContact OD2-CD 3.45Å; D111-K114 VanDerWaalsContact OD2-CE 3.22Å; D111-K114 WeakPolarHBondContact OD2-CE 3.46Å; D111-K114 WeakPolarHBondContact OD2-CG 3.45Å; D111-K114 IonicContact OD2-NZ 3.8Å; D111-K114 PolarHBondContact OD2-NZ 3.12Å; D111-L115 PolarHBondContact O-N 3.24Å
112	K	93.4	Very high	90.8	Very high	81 Å²	81	60.8 Å²	60.8	35%	0.352	31%	0.305	S	S	.	.	H	α-helix	trans	-61.3	-38.9	-177.8	-63.6	-179.1	-177.7	176.6	0	111.7	C86 E89 V90 W110 M116	C86-K112 WeakPolarHBondContact SG-CE 3Å; E89-K112 IonicContact OE2-NZ 3.59Å; E89-K112 PolarHBondContact OE2-NZ 3.26Å; V90-K112 HydrophobicContact CG2-CD 4.18Å; V90-K112 HydrophobicContact CG2-CG 4.04Å; W110-K112 PolarHBondContact O-N 3.1Å; K112-M116 WeakPolarHBondContact O-CG 3.45Å; K112-M116 PolarHBondContact O-N 3.04Å; K112-M116 VanDerWaalsContact O-N 3.15Å
113	E	92.9	Very high	90.4	Very high	147 Å²	147	64.4 Å²	64.4	69%	0.687	32%	0.324	S	S	*	.	H	α-helix	trans	-69.8	-47.9	-174.3	-65.2	179.3	-178.9	0	0	110.6	D111 L115 M116 E117	D111-E113 VanDerWaalsContact C-N 3.3Å; D111-E113 PolarHBondContact O-N 3.36Å; D111-E113 PolarHBondContact OD1-N 3.15Å; D111-E113 VanDerWaalsContact OD1-N 3.15Å; E113-L115 VanDerWaalsContact C-N 3.32Å; E113-L115 PolarHBondContact O-N 3.2Å; E113-M116 PolarHBondContact O-N 2.92Å; E113-M116 VanDerWaalsContact O-N 3.09Å; E113-E117 WeakPolarHBondContact O-CG 3.47Å; E113-E117 PolarHBondContact O-N 3.4Å
114	K	92.9	Very high	90.1	Very high	114 Å²	114	66 Å²	66	50%	0.496	33%	0.333	S	S	.	.	H	α-helix	trans	-60.5	-39.7	177.4	-71.4	-176.8	-172.9	126.2	0	113.2	F108 D111 M116 R118	F108-K114 HydrophobicContact CD1-CB 4.02Å; D111-K114 HydrophobicContact CB-CB 4.21Å; D111-K114 HydrophobicContact CB-CD 4.2Å; D111-K114 HydrophobicContact CB-CG 4.33Å; D111-K114 PolarHBondContact OD1-N 3.4Å; D111-K114 VanDerWaalsContact OD1-N 3.15Å; D111-K114 VanDerWaalsContact OD2-CD 3.3Å; D111-K114 WeakPolarHBondContact OD2-CD 3.45Å; D111-K114 VanDerWaalsContact OD2-CE 3.22Å; D111-K114 WeakPolarHBondContact OD2-CE 3.46Å; D111-K114 WeakPolarHBondContact OD2-CG 3.45Å; D111-K114 IonicContact OD2-NZ 3.8Å; D111-K114 PolarHBondContact OD2-NZ 3.12Å; K114-M116 VanDerWaalsContact C-N 3.33Å; K114-R118 WeakPolarHBondContact O-CB 3.26Å; K114-R118 PolarHBondContact O-N 3.42Å; K114-R118 VanDerWaalsContact O-N 3.11Å
115	L	93.2	Very high	89.7	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-60.4	-46.5	175.1	172.4	60.6	0	0	0	110.4	V90 I94 L104 L105 F108 D111 E113 R118 Y119	V90-L115 HydrophobicContact CG1-CD2 3.94Å; I94-L115 HydrophobicContact CD1-CD2 4.06Å; I94-L115 HydrophobicContact CD1-CG 4.18Å; L104-L115 HydrophobicContact CB-CD1 3.9Å; L104-L115 HydrophobicContact CB-CD2 4.34Å; L105-L115 HydrophobicContact CD2-CD2 3.53Å; L105-L115 HydrophobicContact CG-CD2 3.77Å; F108-L115 HydrophobicContact CB-CB 4.41Å; F108-L115 HydrophobicContact CD2-CB 4.06Å; F108-L115 HydrophobicContact CD2-CD1 3.71Å; F108-L115 HydrophobicContact CD2-CG 4.46Å; F108-L115 HydrophobicContact CE2-CD1 3.8Å; F108-L115 HydrophobicContact CG-CB 4.26Å; D111-L115 PolarHBondContact O-N 3.24Å; E113-L115 VanDerWaalsContact C-N 3.32Å; E113-L115 PolarHBondContact O-N 3.2Å; L115-R118 PolarHBondContact O-N 3.35Å; L115-Y119 VanDerWaalsContact O-CB 3.25Å; L115-Y119 WeakPolarHBondContact O-CB 3.41Å; L115-Y119 PolarHBondContact O-N 3.44Å
116	M	91.9	Very high	89.3	Confident	51 Å²	51	74.7 Å²	74.7	25%	0.251	37%	0.374	S	S	.	.	H	α-helix	trans	-65.5	-44.8	-177.7	-66.7	-66.2	-82.3	0	0	111.9	V93 I94 K112 E113 K114 R118 Y119 F120	V93-M116 HydrophobicContact CB-CE 3.78Å; V93-M116 HydrophobicContact CG1-CE 3.59Å; V93-M116 HydrophobicContact CG2-CE 4.07Å; I94-M116 HydrophobicContact CD1-SD 3.81Å; I94-M116 HydrophobicContact CG1-SD 3.91Å; K112-M116 WeakPolarHBondContact O-CG 3.45Å; K112-M116 PolarHBondContact O-N 3.04Å; K112-M116 VanDerWaalsContact O-N 3.15Å; E113-M116 PolarHBondContact O-N 2.92Å; E113-M116 VanDerWaalsContact O-N 3.09Å; K114-M116 VanDerWaalsContact C-N 3.33Å; M116-R118 VanDerWaalsContact C-N 3.33Å; M116-R118 PolarHBondContact O-N 2.87Å; M116-Y119 PolarHBondContact O-N 2.8Å; M116-F120 HydrophobicContact CE-CE2 3.74Å; M116-F120 VanDerWaalsContact O-CD2 3.26Å; M116-F120 WeakPolarHBondContact O-CD2 3.33Å; M116-F120 PolarHBondContact O-N 2.96Å; M116-F120 VanDerWaalsContact O-N 3.13Å; M116-F120 HydrophobicContact SD-CE2 4.25Å
117	E	91.3	Very high	89.1	Confident	140 Å²	140	73.6 Å²	73.6	65%	0.654	37%	0.366	S	S	*	.	H	α-helix	trans	-54.6	-50	174.4	-72.3	178.7	174.9	0	0	111.2	E113 Y119 F120 D121	E113-E117 WeakPolarHBondContact O-CG 3.47Å; E113-E117 PolarHBondContact O-N 3.4Å; E117-Y119 PolarHBondContact O-N 3.2Å; E117-F120 PolarHBondContact O-N 2.95Å; E117-D121 WeakPolarHBondContact O-CB 3.37Å; E117-D121 PolarHBondContact O-N 3.19Å
118	R	89.8	Confident	89	Confident	52 Å²	52	69.4 Å²	69.4	20%	0.196	35%	0.347	C	S	.	.	H	α-helix	trans	-70.1	-33.9	-178.3	-171.5	64.3	178.2	109.2	16.2	113.1	F108 K114 L115 M116 D121 L127	F108-R118 HydrophobicContact CE1-CB 4.2Å; F108-R118 HydrophobicContact CE1-CG 4.39Å; F108-R118 HydrophobicContact CZ-CB 3.93Å; F108-R118 HydrophobicContact CZ-CG 3.86Å; K114-R118 WeakPolarHBondContact O-CB 3.26Å; K114-R118 PolarHBondContact O-N 3.42Å; K114-R118 VanDerWaalsContact O-N 3.11Å; L115-R118 PolarHBondContact O-N 3.35Å; M116-R118 VanDerWaalsContact C-N 3.33Å; M116-R118 PolarHBondContact O-N 2.87Å; R118-D121 IonicContact NH1-OD2 2.7Å; R118-D121 PolarHBondContact NH1-OD2 3.27Å; R118-D121 VanDerWaalsContact NH1-OD2 3.14Å; R118-L127 HydrophobicContact CG-CD1 4.42Å
119	Y	89.1	Confident	88.6	Confident	24 Å²	24	71.8 Å²	71.8	9%	0.094	37%	0.368	C	S	.	.	H	α-helix	trans	-66.7	-38.5	179.8	-162	-93	0	0	0	111.6	I94 N96 L104 L115 M116 E117 L124 L127 F128	I94-Y119 HydrophobicContact CB-CE1 4.46Å; I94-Y119 HydrophobicContact CD1-CD2 4.23Å; I94-Y119 HydrophobicContact CD1-CG 4.19Å; I94-Y119 HydrophobicContact CG1-CD1 4.21Å; I94-Y119 HydrophobicContact CG1-CE1 4.32Å; I94-Y119 HydrophobicContact CG1-CG 4.39Å; I94-Y119 HydrophobicContact CG2-CD2 4.29Å; I94-Y119 HydrophobicContact CG2-CE1 3.92Å; I94-Y119 HydrophobicContact CG2-CE2 3.68Å; I94-Y119 VanDerWaalsContact CG2-CZ 3.48Å; N96-Y119 PolarHBondContact ND2-OH 3.2Å; N96-Y119 VanDerWaalsContact ND2-OH 3.08Å; L104-Y119 HydrophobicContact CD1-CE2 4.47Å; L115-Y119 VanDerWaalsContact O-CB 3.25Å; L115-Y119 WeakPolarHBondContact O-CB 3.41Å; L115-Y119 PolarHBondContact O-N 3.44Å; M116-Y119 PolarHBondContact O-N 2.8Å; E117-Y119 PolarHBondContact O-N 3.2Å; Y119-L124 HydrophobicContact CD1-CD2 4.07Å; Y119-L124 HydrophobicContact CD2-CD2 3.59Å; Y119-L124 HydrophobicContact CE1-CD2 4.06Å; Y119-L124 HydrophobicContact CE2-CD2 3.55Å; Y119-L124 HydrophobicContact CG-CD2 3.84Å; Y119-L124 VanDerWaalsContact O-CD2 3.28Å; Y119-L124 WeakPolarHBondContact O-CD2 3.49Å; Y119-L127 HydrophobicContact CD2-CD2 3.91Å; Y119-F128 HydrophobicContact CE2-CE2 4.11Å; Y119-F128 HydrophobicContact CE2-CZ 4.29Å
120	F	88.7	Confident	88.3	Confident	132 Å²	132	70.1 Å²	70.1	58%	0.579	36%	0.357	S	S	*	.	H	α-helix	trans	-90	-5.6	-179.2	-69.6	-67.9	0	0	0	114.9	V93 M116 E117 G122	V93-F120 HydrophobicContact CG1-CE2 4.2Å; V93-F120 HydrophobicContact CG1-CZ 3.92Å; M116-F120 HydrophobicContact CE-CE2 3.74Å; M116-F120 VanDerWaalsContact O-CD2 3.26Å; M116-F120 WeakPolarHBondContact O-CD2 3.33Å; M116-F120 PolarHBondContact O-N 2.96Å; M116-F120 VanDerWaalsContact O-N 3.13Å; M116-F120 HydrophobicContact SD-CE2 4.25Å; E117-F120 PolarHBondContact O-N 2.95Å; F120-G122 PolarHBondContact O-N 3.05Å; F120-G122 VanDerWaalsContact O-N 3.17Å
121	D	87	Confident	87.7	Confident	113 Å²	113	69.2 Å²	69.2	60%	0.604	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	1.3	173.2	-173.6	43.9	0	0	0	113.8	E117 R118 N123	E117-D121 WeakPolarHBondContact O-CB 3.37Å; E117-D121 PolarHBondContact O-N 3.19Å; R118-D121 IonicContact NH1-OD2 2.7Å; R118-D121 PolarHBondContact NH1-OD2 3.27Å; R118-D121 VanDerWaalsContact NH1-OD2 3.14Å; D121-N123 PolarHBondContact O-N 3.46Å
122	G	73.5	Confident	87	Confident	68 Å²	68	75 Å²	75	70%	0.701	38%	0.379	S	S	*	.	S	Bend	trans	87.2	-8.6	163.9	0	0	0	0	0	117.1	F120 L124	F120-G122 PolarHBondContact O-N 3.05Å; F120-G122 VanDerWaalsContact O-N 3.17Å; G122-L124 PolarHBondContact O-N 3.49Å
123	N	84.4	Confident	86.5	Confident	78 Å²	78	71.6 Å²	71.6	42%	0.417	37%	0.366	S	S	.	.			trans	-103.2	60	177.8	-160.9	-12.4	0	0	0	112.8	D121 D125 K126 L127	D121-N123 PolarHBondContact O-N 3.46Å; N123-D125 PolarHBondContact O-N 3.16Å; N123-K126 HydrophobicContact CB-CB 4.48Å; N123-K126 PolarHBondContact O-N 3.28Å; N123-K126 WeakPolarHBondContact OD1-CB 3.43Å; N123-K126 PolarHBondContact OD1-N 2.9Å; N123-L127 PolarHBondContact O-N 3.43Å
124	L	84.5	Confident	85.8	Confident	45 Å²	45	68.9 Å²	68.9	24%	0.236	36%	0.355	C	S	.	.	H	α-helix	trans	-60.7	-43.4	-178.9	-67.8	177.1	0	0	0	111.9	Y119 G122 K126 L127 F128	Y119-L124 HydrophobicContact CD1-CD2 4.07Å; Y119-L124 HydrophobicContact CD2-CD2 3.59Å; Y119-L124 HydrophobicContact CE1-CD2 4.06Å; Y119-L124 HydrophobicContact CE2-CD2 3.55Å; Y119-L124 HydrophobicContact CG-CD2 3.84Å; Y119-L124 VanDerWaalsContact O-CD2 3.28Å; Y119-L124 WeakPolarHBondContact O-CD2 3.49Å; G122-L124 PolarHBondContact O-N 3.49Å; L124-K126 PolarHBondContact O-N 3.24Å; L124-L127 HydrophobicContact CD2-CD2 4.37Å; L124-L127 WeakPolarHBondContact O-CA 3.13Å; L124-L127 WeakPolarHBondContact O-CB 3.27Å; L124-L127 PolarHBondContact O-N 3.09Å; L124-F128 HydrophobicContact CB-CD2 4.22Å; L124-F128 HydrophobicContact CB-CE2 4.27Å; L124-F128 HydrophobicContact CD2-CE2 4.33Å; L124-F128 VanDerWaalsContact O-CD2 3.24Å; L124-F128 WeakPolarHBondContact O-CD2 3.43Å; L124-F128 PolarHBondContact O-N 3.46Å
125	D	83.3	Confident	85	Confident	77 Å²	77	64.2 Å²	64.2	41%	0.412	34%	0.335	S	S	.	.	H	α-helix	trans	-58.6	-37.4	-177.8	-77.2	-29.5	0	0	0	113.1	N123 S129 N135 K138	N123-D125 PolarHBondContact O-N 3.16Å; D125-S129 VanDerWaalsContact O-CB 3.31Å; D125-S129 WeakPolarHBondContact O-CB 3.47Å; D125-S129 PolarHBondContact O-N 2.74Å; D125-S129 VanDerWaalsContact O-N 3.08Å; D125-N135 PolarHBondContact OD1-ND2 3.28Å; D125-K138 WeakPolarHBondContact OD1-CE 3.34Å; D125-K138 IonicContact OD1-NZ 3.84Å; D125-K138 PolarHBondContact OD1-NZ 2.58Å; D125-K138 WeakPolarHBondContact OD2-CE 3.5Å; D125-K138 IonicContact OD2-NZ 3.08Å; D125-K138 PolarHBondContact OD2-NZ 2.94Å
126	K	85.9	Confident	84	Confident	106 Å²	106	66.3 Å²	66.3	46%	0.461	35%	0.349	S	S	.	.	H	α-helix	trans	-67	-44.1	173.1	-177.9	171.8	173.4	178.1	0	111.7	N123 L124 S129 E130	N123-K126 HydrophobicContact CB-CB 4.48Å; N123-K126 PolarHBondContact O-N 3.28Å; N123-K126 WeakPolarHBondContact OD1-CB 3.43Å; N123-K126 PolarHBondContact OD1-N 2.9Å; L124-K126 PolarHBondContact O-N 3.24Å; K126-S129 PolarHBondContact O-N 3.44Å; K126-E130 WeakPolarHBondContact CE-OE1 3Å; K126-E130 HydrophobicContact CG-CG 4.38Å; K126-E130 WeakPolarHBondContact CG-OE1 3.45Å; K126-E130 WeakPolarHBondContact O-CB 3.43Å; K126-E130 VanDerWaalsContact O-CG 3.28Å; K126-E130 WeakPolarHBondContact O-CG 3.5Å; K126-E130 PolarHBondContact O-N 3.09Å
127	L	87.1	Confident	82.7	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-58.4	-50.7	177.3	169.9	63.2	0	0	0	112	L104 F108 R118 Y119 N123 L124 S129 E130 C131	L104-L127 HydrophobicContact CD2-CD1 4.17Å; L104-L127 HydrophobicContact CD2-CD2 4.26Å; L104-L127 HydrophobicContact CD2-CG 4.04Å; F108-L127 HydrophobicContact CE2-CD1 3.66Å; F108-L127 HydrophobicContact CZ-CD1 3.87Å; R118-L127 HydrophobicContact CG-CD1 4.42Å; Y119-L127 HydrophobicContact CD2-CD2 3.91Å; N123-L127 PolarHBondContact O-N 3.43Å; L124-L127 HydrophobicContact CD2-CD2 4.37Å; L124-L127 WeakPolarHBondContact O-CA 3.13Å; L124-L127 WeakPolarHBondContact O-CB 3.27Å; L124-L127 PolarHBondContact O-N 3.09Å; L127-S129 VanDerWaalsContact C-N 3.3Å; L127-S129 PolarHBondContact O-N 2.95Å; L127-E130 PolarHBondContact O-N 3.44Å; L127-C131 PolarHBondContact O-N 3.01Å; L127-C131 PolarHBondContact O-SG 3.25Å; L127-C131 VanDerWaalsContact O-SG 3.4Å
128	F	87.9	Confident	81.5	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.009	36%	0.361	C	S	.	.	H	α-helix	trans	-63.6	-37.8	179.4	-81.4	-90.5	0	0	0	111.6	I100 L104 Y119 L124 C131 H132 V133 N135 P136	I100-F128 HydrophobicContact CG2-CD1 4.39Å; I100-F128 HydrophobicContact CG2-CE1 3.63Å; I100-F128 HydrophobicContact CG2-CZ 4.49Å; L104-F128 HydrophobicContact CD1-CZ 4.36Å; Y119-F128 HydrophobicContact CE2-CE2 4.11Å; Y119-F128 HydrophobicContact CE2-CZ 4.29Å; L124-F128 HydrophobicContact CB-CD2 4.22Å; L124-F128 HydrophobicContact CB-CE2 4.27Å; L124-F128 HydrophobicContact CD2-CE2 4.33Å; L124-F128 VanDerWaalsContact O-CD2 3.24Å; L124-F128 WeakPolarHBondContact O-CD2 3.43Å; L124-F128 PolarHBondContact O-N 3.46Å; F128-C131 CarbonylContact O-C 3.53Å; F128-C131 PolarHBondContact O-N 3.25Å; F128-H132 PolarHBondContact O-N 3Å; F128-H132 VanDerWaalsContact O-N 3.12Å; F128-V133 CarbonylContact C-O 3.6Å; F128-V133 HydrophobicContact CB-CG2 4.26Å; F128-V133 WeakPolarHBondContact CB-O 3.44Å; F128-V133 HydrophobicContact CD1-CB 4.37Å; F128-V133 HydrophobicContact CD1-CG2 3.59Å; F128-V133 HydrophobicContact CE1-CG2 4.4Å; F128-V133 HydrophobicContact CG-CG2 4.3Å; F128-V133 WeakPolarHBondContact O-CG2 3.34Å; F128-V133 PolarHBondContact O-N 3.33Å; F128-V133 VanDerWaalsContact O-O 3.06Å; F128-N135 HydrophobicContact CB-CB 4.22Å; F128-N135 HydrophobicContact CD1-CB 4.26Å; F128-N135 HydrophobicContact CD2-CB 4.22Å; F128-N135 HydrophobicContact CG-CB 3.99Å; F128-P136 HydrophobicContact CE1-CG 4.23Å; F128-P136 HydrophobicContact CZ-CG 4.34Å
129	S	84.6	Confident	79.8	Confident	86 Å²	86	73.4 Å²	73.4	60%	0.601	39%	0.389	S	S	*	.	H	α-helix	trans	-66.4	-40.7	174.5	-172.5	0	0	0	0	113	D125 K126 L127 C131 H132	D125-S129 VanDerWaalsContact O-CB 3.31Å; D125-S129 WeakPolarHBondContact O-CB 3.47Å; D125-S129 PolarHBondContact O-N 2.74Å; D125-S129 VanDerWaalsContact O-N 3.08Å; K126-S129 PolarHBondContact O-N 3.44Å; L127-S129 VanDerWaalsContact C-N 3.3Å; L127-S129 PolarHBondContact O-N 2.95Å; S129-C131 VanDerWaalsContact C-N 3.3Å; S129-C131 PolarHBondContact O-N 3.25Å; S129-H132 PolarHBondContact O-N 2.86Å; S129-H132 VanDerWaalsContact O-N 3.14Å
130	E	85.1	Confident	77.9	Confident	78 Å²	78	76.2 Å²	76.2	36%	0.364	41%	0.411	S	S	.	.	H	α-helix	trans	-62.3	-39.9	176.2	-76.1	168	175.4	0	0	111	K126 L127 H132	K126-E130 WeakPolarHBondContact CE-OE1 3Å; K126-E130 HydrophobicContact CG-CG 4.38Å; K126-E130 WeakPolarHBondContact CG-OE1 3.45Å; K126-E130 WeakPolarHBondContact O-CB 3.43Å; K126-E130 VanDerWaalsContact O-CG 3.28Å; K126-E130 WeakPolarHBondContact O-CG 3.5Å; K126-E130 PolarHBondContact O-N 3.09Å; L127-E130 PolarHBondContact O-N 3.44Å; E130-H132 PolarHBondContact O-CE1 3.23Å; E130-H132 PolarHBondContact O-N 3.39Å; E130-H132 PolarHBondContact O-ND1 2.97Å
131	C	81.4	Confident	75.7	Confident	10 Å²	10	81.9 Å²	81.9	7%	0.068	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	4.2	176.1	-59.4	0	0	0	0	114	I103 L104 L127 F128 S129 V133	I103-C131 HydrophobicContact CG2-CB 4.33Å; L104-C131 HydrophobicContact CD2-CB 4.2Å; L127-C131 PolarHBondContact O-N 3.01Å; L127-C131 PolarHBondContact O-SG 3.25Å; L127-C131 VanDerWaalsContact O-SG 3.4Å; F128-C131 CarbonylContact O-C 3.53Å; F128-C131 PolarHBondContact O-N 3.25Å; S129-C131 VanDerWaalsContact C-N 3.3Å; S129-C131 PolarHBondContact O-N 3.25Å; C131-V133 HydrophobicContact CB-CG2 3.72Å; C131-V133 PolarHBondContact O-N 3.07Å
132	H	80.1	Confident	73.9	Confident	170 Å²	170	80.6 Å²	80.6	79%	0.787	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	36.4	-179.1	-57.2	77.2	0	0	0	113.8	F128 S129 E130	F128-H132 PolarHBondContact O-N 3Å; F128-H132 VanDerWaalsContact O-N 3.12Å; S129-H132 PolarHBondContact O-N 2.86Å; S129-H132 VanDerWaalsContact O-N 3.14Å; E130-H132 PolarHBondContact O-CE1 3.23Å; E130-H132 PolarHBondContact O-N 3.39Å; E130-H132 PolarHBondContact O-ND1 2.97Å
133	V	82.6	Confident	72.6	Confident	11 Å²	11	88.1 Å²	88.1	7%	0.067	43%	0.428	C	S	.	.			trans	-119.7	144.7	179.7	-76.3	0	0	0	0	111.1	I100 I103 F128 C131 L210	I100-V133 HydrophobicContact CD1-CB 4.01Å; I100-V133 HydrophobicContact CD1-CG1 3.9Å; I103-V133 HydrophobicContact CB-CG1 4.34Å; I103-V133 HydrophobicContact CD1-CG1 3.74Å; I103-V133 HydrophobicContact CG2-CG1 3.91Å; F128-V133 CarbonylContact C-O 3.6Å; F128-V133 HydrophobicContact CB-CG2 4.26Å; F128-V133 WeakPolarHBondContact CB-O 3.44Å; F128-V133 HydrophobicContact CD1-CB 4.37Å; F128-V133 HydrophobicContact CD1-CG2 3.59Å; F128-V133 HydrophobicContact CE1-CG2 4.4Å; F128-V133 HydrophobicContact CG-CG2 4.3Å; F128-V133 WeakPolarHBondContact O-CG2 3.34Å; F128-V133 PolarHBondContact O-N 3.33Å; F128-V133 VanDerWaalsContact O-O 3.06Å; C131-V133 HydrophobicContact CB-CG2 3.72Å; C131-V133 PolarHBondContact O-N 3.07Å; V133-L210 HydrophobicContact CG1-CD1 3.87Å
134	I	78.4	Confident	70.4	Confident	89 Å²	89	89.8 Å²	89.8	46%	0.456	44%	0.443	S	S	.	.			trans	-75.2	130	177.3	-59.4	172.8	0	0	0	108.9	P136 I209	I134-P136 VanDerWaalsContact O-CD 3.29Å; I134-P136 WeakPolarHBondContact O-CD 3.46Å; I134-I209 HydrophobicContact CD1-CG1 4.15Å
135	N	74.7	Confident	68.5	Low	16 Å²	16	93.1 Å²	93.1	9%	0.086	47%	0.467	C	S	.	.			trans	-64.1	115.2	176.3	-176	-17.8	0	0	0	110.3	D125 F128 S137 K138	D125-N135 PolarHBondContact OD1-ND2 3.28Å; F128-N135 HydrophobicContact CB-CB 4.22Å; F128-N135 HydrophobicContact CD1-CB 4.26Å; F128-N135 HydrophobicContact CD2-CB 4.22Å; F128-N135 HydrophobicContact CG-CB 3.99Å; N135-S137 PolarHBondContact O-N 3.37Å; N135-S137 VanDerWaalsContact OD1-CB 3.23Å; N135-S137 WeakPolarHBondContact OD1-CB 3.34Å; N135-S137 PolarHBondContact OD1-N 3.43Å; N135-S137 PolarHBondContact OD1-OG 3.02Å; N135-K138 PolarHBondContact O-N 3.12Å
136	P	72	Confident	66.5	Low	44 Å²	44	96.9 Å²	96.9	29%	0.286	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.6	-177.1	25.5	-32.4	0	0	0	112.9	N96 P97 F128 I134 K138	N96-P136 VanDerWaalsContact OD1-CG 3.3Å; N96-P136 WeakPolarHBondContact OD1-CG 3.47Å; P97-P136 HydrophobicContact CG-CB 4.34Å; F128-P136 HydrophobicContact CE1-CG 4.23Å; F128-P136 HydrophobicContact CZ-CG 4.34Å; I134-P136 VanDerWaalsContact O-CD 3.29Å; I134-P136 WeakPolarHBondContact O-CD 3.46Å; P136-K138 PolarHBondContact O-N 3.1Å
137	S	66.6	Low	64.4	Low	91 Å²	91	98.5 Å²	98.5	64%	0.636	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-25	175.2	-57.4	0	0	0	0	112.4	N135 K139	N135-S137 PolarHBondContact O-N 3.37Å; N135-S137 VanDerWaalsContact OD1-CB 3.23Å; N135-S137 WeakPolarHBondContact OD1-CB 3.34Å; N135-S137 PolarHBondContact OD1-N 3.43Å; N135-S137 PolarHBondContact OD1-OG 3.02Å; S137-K139 VanDerWaalsContact C-N 3.33Å; S137-K139 PolarHBondContact O-N 3.33Å
138	K	65.5	Low	62.3	Low	119 Å²	119	104.1 Å²	104.1	52%	0.517	53%	0.533	S	S	.	.	S	Bend	trans	-89.1	69.5	173.5	-68.3	-178.5	177.1	168.5	0	109.2	D125 N135 P136 P140	D125-K138 WeakPolarHBondContact OD1-CE 3.34Å; D125-K138 IonicContact OD1-NZ 3.84Å; D125-K138 PolarHBondContact OD1-NZ 2.58Å; D125-K138 WeakPolarHBondContact OD2-CE 3.5Å; D125-K138 IonicContact OD2-NZ 3.08Å; D125-K138 PolarHBondContact OD2-NZ 2.94Å; N135-K138 PolarHBondContact O-N 3.12Å; P136-K138 PolarHBondContact O-N 3.1Å; K138-P140 WeakPolarHBondContact O-CD 3.35Å; K138-P140 VanDerWaalsContact O-N 3.11Å
139	K	53.5	Low	60.2	Low	182 Å²	182	114.6 Å²	114.6	79%	0.791	57%	0.573	S	S	*	*			trans	-50.6	121.5	173.8	-75.6	-173.1	179.1	-178.5	0	109.5	S137 R141	S137-K139 VanDerWaalsContact C-N 3.33Å; S137-K139 PolarHBondContact O-N 3.33Å; K139-R141 PolarHBondContact O-N 3.24Å
140	P	49	Very low	58.4	Low	84 Å²	84	113.1 Å²	113.1	55%	0.545	56%	0.563	S	S	.	*			trans	-62.3	128	165.4	5.1	3.2	0	0	0	107.1	K138 I142	K138-P140 WeakPolarHBondContact O-CD 3.35Å; K138-P140 VanDerWaalsContact O-N 3.11Å; P140-I142 HydrophobicContact CB-CG1 4.2Å; P140-I142 PolarHBondContact O-N 3.31Å
141	R	43.7	Very low	56.9	Low	250 Å²	250	115.2 Å²	115.2	94%	0.943	59%	0.586	S	S	*	*			trans	-67.5	82	169.8	-77.6	-175.2	172.1	-178.5	-1.6	108.5	K139 R143	K139-R141 PolarHBondContact O-N 3.24Å; R141-R143 PolarHBondContact O-N 3.28Å
142	I	49.2	Very low	55.6	Low	87 Å²	87	119.5 Å²	119.5	45%	0.446	62%	0.622	S	S	.	*			trans	-76.8	113.6	171.4	-58.3	174.8	0	0	0	106.3	P140 E173	P140-I142 HydrophobicContact CB-CG1 4.2Å; P140-I142 PolarHBondContact O-N 3.31Å; I142-E173 WeakPolarHBondContact CD1-O 3.28Å
143	R	44.3	Very low	55.1	Low	226 Å²	226	117.6 Å²	117.6	85%	0.853	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-59.7	133.2	170.5	-63	-177.6	-159	-147.7	4	107	R141	R141-R143 PolarHBondContact O-N 3.28Å
144	P	39.3	Very low	55	Low	113 Å²	113	121.9 Å²	121.9	73%	0.734	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-56.7	137	177.6	24.3	-32.4	0	0	0	108.6	I146	P144-I146 PolarHBondContact O-N 3.29Å
145	P	45.4	Very low	55.4	Low	114 Å²	114	121.5 Å²	121.5	74%	0.74	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-56.5	134.6	168.2	-15.9	28	0	0	0	107.8	N147	P145-N147 PolarHBondContact O-N 3.41Å; P145-N147 VanDerWaalsContact O-N 3.09Å
146	I	40.7	Very low	56.3	Low	156 Å²	156	123.8 Å²	123.8	80%	0.8	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-52.9	121.2	172	-67.1	170.3	0	0	0	107.2	P144 T148	P144-I146 PolarHBondContact O-N 3.29Å; I146-T148 VanDerWaalsContact C-N 3.33Å; I146-T148 PolarHBondContact O-N 3.25Å
147	N	41.2	Very low	57.4	Low	140 Å²	140	121.7 Å²	121.7	75%	0.749	64%	0.635	S	S	*	*			trans	-68.3	86.2	-175.7	-162.5	9	0	0	0	109.7	P145 R149	P145-N147 PolarHBondContact O-N 3.41Å; P145-N147 VanDerWaalsContact O-N 3.09Å; N147-R149 PolarHBondContact O-N 3.46Å
148	T	44	Very low	58.7	Low	118 Å²	118	122.9 Å²	122.9	72%	0.724	63%	0.631	S	S	*	*			trans	-81.7	98.1	166	49.2	0	0	0	0	107.9	I146 S150	I146-T148 VanDerWaalsContact C-N 3.33Å; I146-T148 PolarHBondContact O-N 3.25Å; T148-S150 PolarHBondContact O-N 3.35Å
149	R	42.3	Very low	60.1	Low	223 Å²	223	120.6 Å²	120.6	84%	0.842	62%	0.624	S	S	*	*			trans	-66	77.7	168.6	-65.5	170.8	82.7	170.2	5.6	109.2	N147	N147-R149 PolarHBondContact O-N 3.46Å
150	S	47.6	Very low	62.1	Low	55 Å²	55	114.2 Å²	114.2	39%	0.385	60%	0.601	S	S	.	*			trans	-137.7	82.9	165.5	-94.6	0	0	0	0	108.5	T148 A152	T148-S150 PolarHBondContact O-N 3.35Å; S150-A152 PolarHBondContact O-N 3.34Å
151	S	53.1	Low	64.2	Low	122 Å²	122	118.5 Å²	118.5	85%	0.853	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	8.1	-178.7	-15.9	0	0	0	0	114.1
152	A	53.7	Low	66.6	Low	99 Å²	99	111.4 Å²	111.4	82%	0.818	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.4	23.9	-167.7	0	0	0	0	0	114.5	S150	S150-A152 PolarHBondContact O-N 3.34Å
153	Q	69.5	Low	68.6	Low	130 Å²	130	112 Å²	112	61%	0.607	59%	0.592	S	S	*	*			trans	-109.8	130	171.8	-73.5	177.7	-8.4	0	0	109.7	M155	Q153-M155 PolarHBondContact O-N 3.31Å
154	D	81.6	Confident	70.9	Confident	101 Å²	101	103.8 Å²	103.8	54%	0.54	56%	0.562	S	S	.	*			trans	-64.6	128.3	173.3	-62.6	-29.8	0	0	0	109.1	N163 F164	D154-N163 HydrophobicContact CB-CB 3.93Å; D154-F164 CarbonylContact C-O 3.47Å; D154-F164 WeakPolarHBondContact CA-O 3.41Å
155	M	86.8	Confident	73.4	Confident	82 Å²	82	101 Å²	101	40%	0.404	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	143.3	176.8	-74.3	-147.4	-68.5	0	0	110.7	Q153 N163 F164 N166 F169	Q153-M155 PolarHBondContact O-N 3.31Å; M155-N163 WeakPolarHBondContact O-CA 3.4Å; M155-F164 PolarHBondContact N-O 3.29Å; M155-F164 PolarHBondContact O-N 3.1Å; M155-N166 WeakPolarHBondContact CE-OD1 3.41Å; M155-F169 HydrophobicContact CB-CE2 4.22Å; M155-F169 HydrophobicContact CB-CZ 4.38Å; M155-F169 WeakPolarHBondContact O-CE2 3.33Å; M155-F169 WeakPolarHBondContact O-CZ 3.46Å
156	P	93.6	Very high	75.4	Confident	63 Å²	63	98.9 Å²	98.9	41%	0.409	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	131.2	176.9	28.2	-32.7	0	0	0	111.6	Q158 L162 N163	P156-Q158 PolarHBondContact O-NE2 2.96Å; P156-L162 WeakPolarHBondContact CA-O 3.23Å; P156-N163 VanDerWaalsContact CA-OD1 3.26Å; P156-N163 WeakPolarHBondContact CA-OD1 3.4Å; P156-N163 VanDerWaalsContact CB-OD1 3.31Å; P156-N163 WeakPolarHBondContact CB-OD1 3.23Å
157	C	95	Very high	77.8	Confident	0 Å²	0	95.9 Å²	95.9	0%	0	52%	0.52	C	S	.	.			trans	-69.6	132.6	169.2	-178.1	0	0	0	0	110.5	I159 Y161 L162 F164 F169 C179	C157-I159 PolarHBondContact O-N 3.04Å; C157-Y161 WeakPolarHBondContact O-CA 3.37Å; C157-Y161 PolarHBondContact O-N 2.9Å; C157-L162 PolarHBondContact N-O 2.97Å; C157-F164 HydrophobicContact CB-CD2 4.4Å; C157-F164 HydrophobicContact CB-CE2 4.4Å; C157-F169 HydrophobicContact CB-CE1 4.1Å; C157-F169 HydrophobicContact CB-CZ 4.14Å; C157-C179 HydrophobicContact CB-CB 4.19Å; C157-C179 PolarHBondContact SG-N 2.79Å; C157-C179 VanDerWaalsContact SG-SG 3.64Å
158	Q	93.3	Very high	80.2	Confident	117 Å²	117	94.8 Å²	94.8	55%	0.547	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-2.4	-177.5	-58.4	-57.5	-60.2	0	0	114.4	P156 F178	P156-Q158 PolarHBondContact O-NE2 2.96Å; Q158-F178 HydrophobicContact CB-CD1 4.47Å; Q158-F178 HydrophobicContact CB-CE1 4.14Å
159	I	94.4	Very high	82.5	Confident	71 Å²	71	90.4 Å²	90.4	36%	0.364	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-55.8	177.3	-64	170.5	0	0	0	110.4	C157 F178 C182 P203	C157-I159 PolarHBondContact O-N 3.04Å; I159-F178 HydrophobicContact CD1-CB 3.99Å; I159-F178 HydrophobicContact CD1-CD1 3.42Å; I159-F178 VanDerWaalsContact CD1-CD1 3.42Å; I159-F178 HydrophobicContact CD1-CD2 4.25Å; I159-F178 HydrophobicContact CD1-CE1 3.87Å; I159-F178 HydrophobicContact CD1-CG 3.62Å; I159-F178 HydrophobicContact CD1-CZ 4.46Å; I159-F178 HydrophobicContact CG1-CD1 3.57Å; I159-F178 HydrophobicContact CG1-CE1 3.81Å; I159-F178 HydrophobicContact CG1-CG 4.29Å; I159-C182 HydrophobicContact CB-CB 4.01Å; I159-C182 HydrophobicContact CD1-CB 3.83Å; I159-C182 HydrophobicContact CG2-CB 3.98Å; I159-P203 HydrophobicContact CD1-CB 4.01Å
160	C	95.7	Very high	84.9	Confident	47 Å²	47	81 Å²	81	32%	0.318	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-5.8	-177.5	66	0	0	0	0	114.5	L162 C182	C160-L162 HydrophobicContact CB-CG 4.43Å; C160-L162 PolarHBondContact O-N 3.16Å; C160-L162 VanDerWaalsContact O-N 3.08Å; C160-C182 VanDerWaalsContact CB-SG 3.6Å; C160-C182 VanDerWaalsContact SG-SG 3.6Å
161	Y	92.9	Very high	86.9	Confident	174 Å²	174	80.1 Å²	80.1	68%	0.682	44%	0.444	S	S	*	.			trans	59.7	15.1	-179	-58.3	-83.6	0	0	0	115.6	C157	C157-Y161 WeakPolarHBondContact O-CA 3.37Å; C157-Y161 PolarHBondContact O-N 2.9Å
162	L	94.1	Very high	88.5	Confident	102 Å²	102	75.3 Å²	75.3	53%	0.534	41%	0.409	S	S	.	.			trans	-89.1	147	174	-59.1	178	0	0	0	111.4	P156 C157 C160 F164	P156-L162 WeakPolarHBondContact CA-O 3.23Å; C157-L162 PolarHBondContact N-O 2.97Å; C160-L162 HydrophobicContact CB-CG 4.43Å; C160-L162 PolarHBondContact O-N 3.16Å; C160-L162 VanDerWaalsContact O-N 3.08Å; L162-F164 HydrophobicContact CB-CD2 4.39Å; L162-F164 HydrophobicContact CB-CE2 3.55Å; L162-F164 HydrophobicContact CB-CZ 3.78Å; L162-F164 HydrophobicContact CD1-CZ 4.11Å; L162-F164 WeakPolarHBondContact O-CD2 3.47Å
163	N	92.5	Very high	89.9	Confident	100 Å²	100	78.3 Å²	78.3	54%	0.535	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	130.4	178.8	-71.3	-34.7	0	0	0	110.9	D154 M155 P156	D154-N163 HydrophobicContact CB-CB 3.93Å; M155-N163 WeakPolarHBondContact O-CA 3.4Å; P156-N163 VanDerWaalsContact CA-OD1 3.26Å; P156-N163 WeakPolarHBondContact CA-OD1 3.4Å; P156-N163 VanDerWaalsContact CB-OD1 3.31Å; P156-N163 WeakPolarHBondContact CB-OD1 3.23Å
164	F	92.2	Very high	90.5	Very high	52 Å²	52	73 Å²	73	23%	0.228	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	156.1	175.8	-58.9	-82.7	0	0	0	111.5	D154 M155 C157 L162 F169 C179	D154-F164 CarbonylContact C-O 3.47Å; D154-F164 WeakPolarHBondContact CA-O 3.41Å; M155-F164 PolarHBondContact N-O 3.29Å; M155-F164 PolarHBondContact O-N 3.1Å; C157-F164 HydrophobicContact CB-CD2 4.4Å; C157-F164 HydrophobicContact CB-CE2 4.4Å; L162-F164 HydrophobicContact CB-CD2 4.39Å; L162-F164 HydrophobicContact CB-CE2 3.55Å; L162-F164 HydrophobicContact CB-CZ 3.78Å; L162-F164 HydrophobicContact CD1-CZ 4.11Å; L162-F164 WeakPolarHBondContact O-CD2 3.47Å; F164-F169 HydrophobicContact CB-CE2 3.89Å; F164-C179 HydrophobicContact CD2-CB 3.71Å; F164-C179 HydrophobicContact CE2-CB 3.8Å; F164-C179 HydrophobicContact CG-CB 4.43Å
165	P	92.1	Very high	90.7	Very high	55 Å²	55	70.4 Å²	70.4	36%	0.357	38%	0.38	S	S	.	.			trans	-61.1	151.7	167.7	-20.9	31	0	0	0	111.5	S167 Y168	P165-S167 PolarHBondContact O-N 3.03Å; P165-Y168 HydrophobicContact CB-CD2 4.15Å; P165-Y168 HydrophobicContact CG-CD2 4.09Å; P165-Y168 HydrophobicContact CG-CE2 4.22Å; P165-Y168 PolarHBondContact O-N 3.07Å
166	N	88	Confident	90.9	Very high	69 Å²	69	70.2 Å²	70.2	37%	0.369	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-55.6	-23.9	179.5	-78.2	-22	0	0	0	114.6	M155 Y168 F169	M155-N166 WeakPolarHBondContact CE-OD1 3.41Å; N166-Y168 PolarHBondContact O-N 3.32Å; N166-F169 PolarHBondContact O-N 2.87Å
167	S	90.3	Very high	90.8	Very high	93 Å²	93	72.8 Å²	72.8	65%	0.65	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-65.4	-21.2	176.1	53.8	0	0	0	0	113.8	P165 F169	P165-S167 PolarHBondContact O-N 3.03Å; S167-F169 VanDerWaalsContact C-N 3.35Å
168	Y	90.6	Very high	90.8	Very high	118 Å²	118	73.3 Å²	73.3	46%	0.463	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-91	2.6	179.4	-71.8	-93	0	0	0	113.5	P165 N166 C179 M180	P165-Y168 HydrophobicContact CB-CD2 4.15Å; P165-Y168 HydrophobicContact CG-CD2 4.09Å; P165-Y168 HydrophobicContact CG-CE2 4.22Å; P165-Y168 PolarHBondContact O-N 3.07Å; N166-Y168 PolarHBondContact O-N 3.32Å; Y168-C179 CarbonylContact O-C 3.54Å; Y168-C179 VanDerWaalsContact O-CA 3.26Å; Y168-C179 WeakPolarHBondContact O-CA 3.33Å; Y168-M180 HydrophobicContact CD1-CE 3.49Å; Y168-M180 VanDerWaalsContact CD1-CE 3.49Å; Y168-M180 HydrophobicContact CE1-CE 4.11Å; Y168-M180 HydrophobicContact CG-CE 4.19Å; Y168-M180 WeakPolarHBondContact O-CG 3.37Å; Y168-M180 PolarHBondContact O-N 3.24Å
169	F	92.4	Very high	90.9	Very high	26 Å²	26	67.9 Å²	67.9	11%	0.114	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.5	179.8	-78	-89.7	0	0	0	111.5	M155 C157 F164 N166 S167 K177 F178	M155-F169 HydrophobicContact CB-CE2 4.22Å; M155-F169 HydrophobicContact CB-CZ 4.38Å; M155-F169 WeakPolarHBondContact O-CE2 3.33Å; M155-F169 WeakPolarHBondContact O-CZ 3.46Å; C157-F169 HydrophobicContact CB-CE1 4.1Å; C157-F169 HydrophobicContact CB-CZ 4.14Å; F164-F169 HydrophobicContact CB-CE2 3.89Å; N166-F169 PolarHBondContact O-N 2.87Å; S167-F169 VanDerWaalsContact C-N 3.35Å; F169-K177 HydrophobicContact CB-CB 4.33Å; F169-K177 HydrophobicContact CD1-CB 4.04Å; F169-F178 WeakPolarHBondContact CA-O 3.34Å; F169-F178 VanDerWaalsContact CD1-C 3.41Å
170	T	93	Very high	90.9	Very high	25 Å²	25	68.3 Å²	68.3	15%	0.153	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	139.9	167.6	-64.2	0	0	0	0	108.8	K177 F178 W183 L219	T170-K177 WeakPolarHBondContact O-CA 3.42Å; T170-F178 PolarHBondContact N-O 3.31Å; T170-F178 PolarHBondContact O-N 2.99Å; T170-F178 VanDerWaalsContact O-N 3.11Å; T170-W183 PolarHBondContact O-NE1 3.14Å; T170-L219 HydrophobicContact CG2-CD1 4.12Å; T170-L219 HydrophobicContact CG2-CD2 4.19Å
171	G	89.9	Confident	90.8	Very high	36 Å²	36	72 Å²	72	37%	0.371	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	159.6	175.9	0	0	0	0	0	112.5	H176	G171-H176 WeakPolarHBondContact CA-O 3.39Å
172	L	87.5	Confident	91	Very high	22 Å²	22	64.2 Å²	64.2	12%	0.115	34%	0.344	C	S	.	.			trans	-96.2	-177.8	175.9	-61.6	178.1	0	0	0	111	C174 G175 H176 W183 C202 V211 T215	L172-C174 PolarHBondContact O-N 2.85Å; L172-C174 VanDerWaalsContact O-N 3.16Å; L172-G175 PolarHBondContact O-N 2.99Å; L172-H176 PolarHBondContact N-O 2.95Å; L172-W183 HydrophobicContact CD1-CH2 3.84Å; L172-W183 HydrophobicContact CD1-CZ2 4.49Å; L172-W183 HydrophobicContact CD2-CH2 4.45Å; L172-W183 HydrophobicContact CG-CH2 3.94Å; L172-W183 HydrophobicContact CG-CZ2 4.16Å; L172-C202 HydrophobicContact CD1-CB 3.92Å; L172-V211 HydrophobicContact CD1-CG2 4.04Å; L172-V211 HydrophobicContact CD2-CG1 4.22Å; L172-T215 HydrophobicContact CD2-CG2 4.4Å
173	E	82.8	Confident	91	Very high	161 Å²	161	59.4 Å²	59.4	75%	0.752	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.3	176.8	-60.4	-174.3	174.7	0	0	113.7	I142 G175	I142-E173 WeakPolarHBondContact CD1-O 3.28Å; E173-G175 PolarHBondContact O-N 2.86Å
174	C	82.4	Confident	91.1	Very high	20 Å²	20	55.2 Å²	55.2	14%	0.135	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-15.7	171.9	49.3	0	0	0	0	113.8	L172 H176 C202 I209	L172-C174 PolarHBondContact O-N 2.85Å; L172-C174 VanDerWaalsContact O-N 3.16Å; C174-H176 VanDerWaalsContact C-N 3.31Å; C174-H176 PolarHBondContact O-N 2.85Å; C174-H176 PolarHBondContact SG-ND1 2.9Å; C174-C202 VanDerWaalsContact SG-SG 3.68Å; C174-I209 HydrophobicContact CB-CD1 3.58Å; C174-I209 HydrophobicContact CB-CG1 4.22Å
175	G	84.8	Confident	91.2	Very high	46 Å²	46	56.6 Å²	56.6	47%	0.474	31%	0.31	S	S	.	.			trans	84	-4.6	-175.9	0	0	0	0	0	115	L172 E173	L172-G175 PolarHBondContact O-N 2.99Å; E173-G175 PolarHBondContact O-N 2.86Å
176	H	90.4	Very high	91.4	Very high	77 Å²	77	56.3 Å²	56.3	36%	0.356	30%	0.301	S	S	.	.			trans	-67.6	131.3	172.2	-61.6	123.5	0	0	0	110.6	G171 L172 C174 F178 A204	G171-H176 WeakPolarHBondContact CA-O 3.39Å; L172-H176 PolarHBondContact N-O 2.95Å; C174-H176 VanDerWaalsContact C-N 3.31Å; C174-H176 PolarHBondContact O-N 2.85Å; C174-H176 PolarHBondContact SG-ND1 2.9Å; H176-F178 HydrophobicContact CB-CE2 3.96Å; H176-F178 HydrophobicContact CB-CZ 4.19Å; H176-A204 HydrophobicContact CB-CB 4.13Å; H176-A204 VanDerWaalsContact ND1-CB 3.33Å; H176-A204 WeakPolarHBondContact ND1-CB 3.41Å
177	K	92.6	Very high	91.7	Very high	118 Å²	118	53 Å²	53	51%	0.513	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.6	-178	-64.2	179	-174.8	-178.8	0	110.2	F169 T170	F169-K177 HydrophobicContact CB-CB 4.33Å; F169-K177 HydrophobicContact CD1-CB 4.04Å; T170-K177 WeakPolarHBondContact O-CA 3.42Å
178	F	95.2	Very high	91.9	Very high	11 Å²	11	50.8 Å²	50.8	5%	0.048	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	157.3	174.9	-52.3	-73.7	0	0	0	109.9	Q158 I159 F169 T170 H176 W183 P203 A204	Q158-F178 HydrophobicContact CB-CD1 4.47Å; Q158-F178 HydrophobicContact CB-CE1 4.14Å; I159-F178 HydrophobicContact CD1-CB 3.99Å; I159-F178 HydrophobicContact CD1-CD1 3.42Å; I159-F178 VanDerWaalsContact CD1-CD1 3.42Å; I159-F178 HydrophobicContact CD1-CD2 4.25Å; I159-F178 HydrophobicContact CD1-CE1 3.87Å; I159-F178 HydrophobicContact CD1-CG 3.62Å; I159-F178 HydrophobicContact CD1-CZ 4.46Å; I159-F178 HydrophobicContact CG1-CD1 3.57Å; I159-F178 HydrophobicContact CG1-CE1 3.81Å; I159-F178 HydrophobicContact CG1-CG 4.29Å; F169-F178 WeakPolarHBondContact CA-O 3.34Å; F169-F178 VanDerWaalsContact CD1-C 3.41Å; T170-F178 PolarHBondContact N-O 3.31Å; T170-F178 PolarHBondContact O-N 2.99Å; T170-F178 VanDerWaalsContact O-N 3.11Å; H176-F178 HydrophobicContact CB-CE2 3.96Å; H176-F178 HydrophobicContact CB-CZ 4.19Å; F178-W183 AromaticContact CD2-CE2 3.92Å; F178-W183 AromaticContact CD2-CZ2 3.83Å; F178-W183 HydrophobicContact CD2-CZ2 3.83Å; F178-W183 HydrophobicContact CE2-CZ2 4.47Å; F178-P203 HydrophobicContact CD2-CB 4.3Å; F178-P203 HydrophobicContact CD2-CG 4.11Å; F178-P203 HydrophobicContact CE2-CB 3.92Å; F178-P203 HydrophobicContact CE2-CG 4.05Å; F178-P203 HydrophobicContact CZ-CB 4.28Å; F178-A204 HydrophobicContact CE2-CB 4.43Å; F178-A204 HydrophobicContact CZ-CB 3.96Å
179	C	95.1	Very high	92	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.02	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	151	177.3	73.1	0	0	0	0	110.6	C157 F164 Y168 Q181 C182 W183	C157-C179 HydrophobicContact CB-CB 4.19Å; C157-C179 PolarHBondContact SG-N 2.79Å; C157-C179 VanDerWaalsContact SG-SG 3.64Å; F164-C179 HydrophobicContact CD2-CB 3.71Å; F164-C179 HydrophobicContact CE2-CB 3.8Å; F164-C179 HydrophobicContact CG-CB 4.43Å; Y168-C179 CarbonylContact O-C 3.54Å; Y168-C179 VanDerWaalsContact O-CA 3.26Å; Y168-C179 WeakPolarHBondContact O-CA 3.33Å; C179-Q181 PolarHBondContact O-N 2.97Å; C179-C182 PolarHBondContact O-N 2.64Å; C179-C182 PolarHBondContact SG-SG 3.09Å; C179-W183 PolarHBondContact O-N 3.32Å; C179-W183 VanDerWaalsContact O-N 3.14Å
180	M	94	Very high	92	Very high	80 Å²	80	48.6 Å²	48.6	39%	0.394	26%	0.264	S	S	.	.	H	α-helix	trans	-56.7	-32.3	-178.5	-70.2	-176	-59.1	0	0	112.9	Y168 W183 G184 L219	Y168-M180 HydrophobicContact CD1-CE 3.49Å; Y168-M180 VanDerWaalsContact CD1-CE 3.49Å; Y168-M180 HydrophobicContact CE1-CE 4.11Å; Y168-M180 HydrophobicContact CG-CE 4.19Å; Y168-M180 WeakPolarHBondContact O-CG 3.37Å; Y168-M180 PolarHBondContact O-N 3.24Å; M180-W183 PolarHBondContact O-N 2.99Å; M180-G184 PolarHBondContact O-N 2.92Å; M180-L219 HydrophobicContact CG-CD2 4.37Å
181	Q	94.3	Very high	92	Very high	124 Å²	124	47.4 Å²	47.4	58%	0.579	26%	0.256	S	S	*	.	H	α-helix	trans	-64.8	-52	177.7	-171.9	61.9	39.2	0	0	111.7	C179 W183 G184 D185	C179-Q181 PolarHBondContact O-N 2.97Å; Q181-W183 PolarHBondContact O-N 3.07Å; Q181-G184 PolarHBondContact O-N 2.79Å; Q181-D185 PolarHBondContact NE2-OD1 2.77Å; Q181-D185 VanDerWaalsContact NE2-OD1 3.07Å; Q181-D185 PolarHBondContact O-N 2.75Å
182	C	96.3	Very high	92.1	Very high	10 Å²	10	50 Å²	50	7%	0.068	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-33	178.6	-67.7	0	0	0	0	112.4	I159 C160 C179 Y186	I159-C182 HydrophobicContact CB-CB 4.01Å; I159-C182 HydrophobicContact CD1-CB 3.83Å; I159-C182 HydrophobicContact CG2-CB 3.98Å; C160-C182 VanDerWaalsContact CB-SG 3.6Å; C160-C182 VanDerWaalsContact SG-SG 3.6Å; C179-C182 PolarHBondContact O-N 2.64Å; C179-C182 PolarHBondContact SG-SG 3.09Å; C182-Y186 WeakPolarHBondContact O-CB 3.33Å; C182-Y186 PolarHBondContact O-N 3.48Å
183	W	95.4	Very high	92.1	Very high	1 Å²	1	56.1 Å²	56.1	0%	0.004	29%	0.289	C	S	.	.	H	α-helix	trans	-62.7	-47.9	170.4	-87.5	116.3	0	0	0	112	T170 L172 F178 C179 M180 Q181 D185 Y186 L187 P203 V211 L219	T170-W183 PolarHBondContact O-NE1 3.14Å; L172-W183 HydrophobicContact CD1-CH2 3.84Å; L172-W183 HydrophobicContact CD1-CZ2 4.49Å; L172-W183 HydrophobicContact CD2-CH2 4.45Å; L172-W183 HydrophobicContact CG-CH2 3.94Å; L172-W183 HydrophobicContact CG-CZ2 4.16Å; F178-W183 AromaticContact CD2-CE2 3.92Å; F178-W183 AromaticContact CD2-CZ2 3.83Å; F178-W183 HydrophobicContact CD2-CZ2 3.83Å; F178-W183 HydrophobicContact CE2-CZ2 4.47Å; C179-W183 PolarHBondContact O-N 3.32Å; C179-W183 VanDerWaalsContact O-N 3.14Å; M180-W183 PolarHBondContact O-N 2.99Å; Q181-W183 PolarHBondContact O-N 3.07Å; W183-D185 PolarHBondContact O-N 3.01Å; W183-Y186 HydrophobicContact CE3-CD1 4.33Å; W183-Y186 HydrophobicContact CZ3-CD1 4.32Å; W183-Y186 PolarHBondContact O-N 2.82Å; W183-L187 HydrophobicContact CE3-CD1 4.47Å; W183-L187 HydrophobicContact CE3-CG 4.37Å; W183-L187 WeakPolarHBondContact O-CB 3Å; W183-L187 WeakPolarHBondContact O-CG 3.39Å; W183-L187 PolarHBondContact O-N 3.06Å; W183-P203 HydrophobicContact CE3-CG 4.03Å; W183-P203 HydrophobicContact CH2-CG 3.8Å; W183-P203 HydrophobicContact CZ2-CG 4.36Å; W183-P203 VanDerWaalsContact CZ3-CD 3.42Å; W183-P203 HydrophobicContact CZ3-CG 3.62Å; W183-V211 HydrophobicContact CH2-CG2 4.22Å; W183-V211 HydrophobicContact CZ3-CG2 3.86Å; W183-L219 HydrophobicContact CB-CD1 3.96Å; W183-L219 HydrophobicContact CD2-CD1 3.96Å; W183-L219 HydrophobicContact CE3-CD1 4.25Å; W183-L219 HydrophobicContact CG-CD1 3.85Å
184	G	94.3	Very high	92.3	Very high	12 Å²	12	52.5 Å²	52.5	12%	0.124	27%	0.272	C	S	.	.	H	α-helix	trans	-58	-47.3	177.9	0	0	0	0	0	112.2	M180 Q181 T188	M180-G184 PolarHBondContact O-N 2.92Å; Q181-G184 PolarHBondContact O-N 2.79Å; G184-T188 VanDerWaalsContact O-CB 3.26Å; G184-T188 WeakPolarHBondContact O-CB 3.45Å; G184-T188 PolarHBondContact O-N 3.21Å; G184-T188 PolarHBondContact O-OG1 3.23Å
185	D	94.7	Very high	92.4	Very high	82 Å²	82	53.4 Å²	53.4	44%	0.439	29%	0.285	S	S	.	.	H	α-helix	trans	-65.4	-48.2	179.3	-59.7	-24.3	0	0	0	110.9	Q181 W183 L187 T188 T189	Q181-D185 PolarHBondContact NE2-OD1 2.77Å; Q181-D185 VanDerWaalsContact NE2-OD1 3.07Å; Q181-D185 PolarHBondContact O-N 2.75Å; W183-D185 PolarHBondContact O-N 3.01Å; D185-L187 PolarHBondContact O-N 3.41Å; D185-T188 PolarHBondContact O-N 3.11Å; D185-T189 PolarHBondContact O-N 2.7Å; D185-T189 PolarHBondContact O-OG1 3.12Å
186	Y	95.3	Very high	92.1	Very high	48 Å²	48	55.2 Å²	55.2	19%	0.188	28%	0.282	C	S	.	.	H	α-helix	trans	-56.9	-51	177.7	171.9	-100.2	0	0	0	112.4	C182 W183 T188 T189 K190 I200 S201 P203	C182-Y186 WeakPolarHBondContact O-CB 3.33Å; C182-Y186 PolarHBondContact O-N 3.48Å; W183-Y186 HydrophobicContact CE3-CD1 4.33Å; W183-Y186 HydrophobicContact CZ3-CD1 4.32Å; W183-Y186 PolarHBondContact O-N 2.82Å; Y186-T188 VanDerWaalsContact C-N 3.34Å; Y186-T188 PolarHBondContact O-N 2.8Å; Y186-T189 PolarHBondContact O-N 3.01Å; Y186-K190 HydrophobicContact CD2-CG 4.33Å; Y186-K190 HydrophobicContact CE1-CG 4.14Å; Y186-K190 HydrophobicContact CE2-CD 4.39Å; Y186-K190 HydrophobicContact CE2-CG 3.93Å; Y186-K190 WeakPolarHBondContact O-CG 3.44Å; Y186-K190 PolarHBondContact O-N 3.27Å; Y186-I200 HydrophobicContact CE1-CG2 3.78Å; Y186-S201 WeakPolarHBondContact CE1-O 2.94Å; Y186-S201 PolarHBondContact OH-O 3.41Å; Y186-P203 HydrophobicContact CD1-CG 3.67Å; Y186-P203 HydrophobicContact CD2-CB 4.2Å; Y186-P203 HydrophobicContact CD2-CG 4.19Å; Y186-P203 HydrophobicContact CE1-CG 3.78Å; Y186-P203 HydrophobicContact CE2-CB 4.23Å; Y186-P203 HydrophobicContact CE2-CG 4.28Å; Y186-P203 HydrophobicContact CG-CB 4.35Å; Y186-P203 HydrophobicContact CG-CG 3.88Å
187	L	94.8	Very high	91.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.1	-43.5	-179.7	-68.7	173.4	0	0	0	110.7	W183 D185 T189 K190 I191 I200 V216 L219 I220	W183-L187 HydrophobicContact CE3-CD1 4.47Å; W183-L187 HydrophobicContact CE3-CG 4.37Å; W183-L187 WeakPolarHBondContact O-CB 3Å; W183-L187 WeakPolarHBondContact O-CG 3.39Å; W183-L187 PolarHBondContact O-N 3.06Å; D185-L187 PolarHBondContact O-N 3.41Å; L187-T189 PolarHBondContact O-N 3.26Å; L187-K190 PolarHBondContact O-N 3.43Å; L187-I191 HydrophobicContact CB-CD1 4.37Å; L187-I191 WeakPolarHBondContact O-CB 3.46Å; L187-I191 VanDerWaalsContact O-CD1 3.27Å; L187-I191 WeakPolarHBondContact O-CD1 3.32Å; L187-I191 WeakPolarHBondContact O-CG1 3.35Å; L187-I191 PolarHBondContact O-N 3Å; L187-I200 HydrophobicContact CD2-CD1 4.31Å; L187-I200 HydrophobicContact CD2-CG2 3.89Å; L187-V216 HydrophobicContact CD1-CG1 4.37Å; L187-V216 HydrophobicContact CD2-CG1 4.45Å; L187-V216 HydrophobicContact CD2-CG2 4.13Å; L187-L219 HydrophobicContact CD1-CB 3.86Å; L187-L219 HydrophobicContact CD1-CD1 4.28Å; L187-I220 HydrophobicContact CB-CD1 4.12Å; L187-I220 HydrophobicContact CB-CG1 4.01Å; L187-I220 HydrophobicContact CD1-CG1 4.04Å
188	T	94.1	Very high	90.3	Very high	47 Å²	47	48.3 Å²	48.3	29%	0.288	25%	0.253	S	S	.	.	H	α-helix	trans	-61	-47.5	179.7	-59.1	0	0	0	0	111.4	G184 D185 Y186 I191 I192 V225	G184-T188 VanDerWaalsContact O-CB 3.26Å; G184-T188 WeakPolarHBondContact O-CB 3.45Å; G184-T188 PolarHBondContact O-N 3.21Å; G184-T188 PolarHBondContact O-OG1 3.23Å; D185-T188 PolarHBondContact O-N 3.11Å; Y186-T188 VanDerWaalsContact C-N 3.34Å; Y186-T188 PolarHBondContact O-N 2.8Å; T188-I191 PolarHBondContact O-N 3.32Å; T188-I192 HydrophobicContact CG2-CG1 4.13Å; T188-I192 WeakPolarHBondContact O-CB 3.24Å; T188-I192 WeakPolarHBondContact O-CG1 3.5Å; T188-I192 PolarHBondContact O-N 3.11Å; T188-V225 HydrophobicContact CG2-CG1 4.27Å; T188-V225 HydrophobicContact CG2-CG2 3.84Å
189	T	93.6	Very high	89.7	Confident	53 Å²	53	51 Å²	51	33%	0.325	27%	0.271	S	S	.	.	H	α-helix	trans	-60.8	-46.1	176.3	-64.3	0	0	0	0	111.6	D185 Y186 L187 I191 E193 E194	D185-T189 PolarHBondContact O-N 2.7Å; D185-T189 PolarHBondContact O-OG1 3.12Å; Y186-T189 PolarHBondContact O-N 3.01Å; L187-T189 PolarHBondContact O-N 3.26Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 2.89Å; T189-E193 HydrophobicContact CG2-CB 4.41Å; T189-E193 HydrophobicContact CG2-CG 4.43Å; T189-E193 WeakPolarHBondContact O-CB 3.26Å; T189-E193 PolarHBondContact O-N 3.03Å; T189-E194 PolarHBondContact O-N 2.93Å
190	K	92.3	Very high	89.5	Confident	44 Å²	44	51.2 Å²	51.2	19%	0.191	27%	0.271	C	S	.	.	H	α-helix	trans	-61.2	-37.6	177.8	-72.2	-54.5	-169.4	-174.2	0	113.4	Y186 L187 E194 G195 M196	Y186-K190 HydrophobicContact CD2-CG 4.33Å; Y186-K190 HydrophobicContact CE1-CG 4.14Å; Y186-K190 HydrophobicContact CE2-CD 4.39Å; Y186-K190 HydrophobicContact CE2-CG 3.93Å; Y186-K190 WeakPolarHBondContact O-CG 3.44Å; Y186-K190 PolarHBondContact O-N 3.27Å; L187-K190 PolarHBondContact O-N 3.43Å; K190-E194 VanDerWaalsContact CD-CD 3.42Å; K190-E194 HydrophobicContact CD-CG 4.42Å; K190-E194 WeakPolarHBondContact CD-OE1 3.4Å; K190-E194 WeakPolarHBondContact CD-OE2 3.29Å; K190-E194 WeakPolarHBondContact CE-OE2 3.43Å; K190-E194 IonicContact NZ-OE1 3.21Å; K190-E194 PolarHBondContact NZ-OE1 3.44Å; K190-E194 IonicContact NZ-OE2 3.32Å; K190-E194 PolarHBondContact NZ-OE2 3.23Å; K190-G195 PolarHBondContact O-N 2.8Å; K190-M196 PolarHBondContact O-N 3.29Å
191	I	93	Very high	89.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-80.3	-44.2	-176.7	-68.4	160.7	0	0	0	111.7	L187 T188 T189 G195 I200 V216 I220 V225 K228 Y229 L232	L187-I191 HydrophobicContact CB-CD1 4.37Å; L187-I191 WeakPolarHBondContact O-CB 3.46Å; L187-I191 VanDerWaalsContact O-CD1 3.27Å; L187-I191 WeakPolarHBondContact O-CD1 3.32Å; L187-I191 WeakPolarHBondContact O-CG1 3.35Å; L187-I191 PolarHBondContact O-N 3Å; T188-I191 PolarHBondContact O-N 3.32Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 2.89Å; I191-G195 WeakPolarHBondContact O-CA 3.46Å; I191-I200 HydrophobicContact CD1-CD1 4.19Å; I191-I200 HydrophobicContact CG1-CD1 3.83Å; I191-V216 HydrophobicContact CD1-CG1 4.14Å; I191-I220 HydrophobicContact CD1-CD1 3.34Å; I191-V225 HydrophobicContact CB-CG1 4.25Å; I191-V225 HydrophobicContact CD1-CG1 4.12Å; I191-V225 HydrophobicContact CG2-CG1 4.09Å; I191-K228 HydrophobicContact CG2-CB 4.12Å; I191-K228 HydrophobicContact CG2-CG 3.96Å; I191-Y229 HydrophobicContact CD1-CD2 3.78Å; I191-Y229 HydrophobicContact CD1-CG 4Å; I191-Y229 HydrophobicContact CG1-CD2 3.92Å; I191-L232 HydrophobicContact CG2-CD1 4.19Å
192	I	90.3	Very high	89.2	Confident	91 Å²	91	43.5 Å²	43.5	47%	0.467	24%	0.239	S	C	.	.	H	α-helix	trans	-87.4	-48.1	-171.8	-60.5	-61.6	0	0	0	111.9	T188 V225 K228	T188-I192 HydrophobicContact CG2-CG1 4.13Å; T188-I192 WeakPolarHBondContact O-CB 3.24Å; T188-I192 WeakPolarHBondContact O-CG1 3.5Å; T188-I192 PolarHBondContact O-N 3.11Å; I192-V225 HydrophobicContact CD1-CG1 4.41Å; I192-V225 HydrophobicContact CD1-CG2 4.16Å; I192-V225 HydrophobicContact CG1-CG1 4.28Å; I192-V225 HydrophobicContact CG1-CG2 4.1Å; I192-K228 HydrophobicContact CD1-CB 4.22Å; I192-K228 HydrophobicContact CD1-CG 4.15Å
193	E	88.3	Confident	89.1	Confident	150 Å²	150	44.6 Å²	44.6	70%	0.701	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-44.7	-173.8	-61.1	179.7	-160.6	0	0	111.6	T189	T189-E193 HydrophobicContact CG2-CB 4.41Å; T189-E193 HydrophobicContact CG2-CG 4.43Å; T189-E193 WeakPolarHBondContact O-CB 3.26Å; T189-E193 PolarHBondContact O-N 3.03Å
194	E	86.8	Confident	88.9	Confident	85 Å²	85	45.3 Å²	45.3	40%	0.397	25%	0.252	S	S	.	.	S	Bend	trans	-91.4	-11.5	-176.9	-60.1	-177.3	-155.5	0	0	113.6	T189 K190 M196	T189-E194 PolarHBondContact O-N 2.93Å; K190-E194 VanDerWaalsContact CD-CD 3.42Å; K190-E194 HydrophobicContact CD-CG 4.42Å; K190-E194 WeakPolarHBondContact CD-OE1 3.4Å; K190-E194 WeakPolarHBondContact CD-OE2 3.29Å; K190-E194 WeakPolarHBondContact CE-OE2 3.43Å; K190-E194 IonicContact NZ-OE1 3.21Å; K190-E194 PolarHBondContact NZ-OE1 3.44Å; K190-E194 IonicContact NZ-OE2 3.32Å; K190-E194 PolarHBondContact NZ-OE2 3.23Å; E194-M196 HydrophobicContact CB-CE 4.44Å; E194-M196 HydrophobicContact CB-CG 4.01Å; E194-M196 PolarHBondContact O-N 3.32Å; E194-M196 VanDerWaalsContact OE2-CE 3.28Å; E194-M196 WeakPolarHBondContact OE2-CE 3.43Å
195	G	85.2	Confident	88.6	Confident	40 Å²	40	53.2 Å²	53.2	41%	0.412	29%	0.285	S	S	.	.			trans	64.4	19.5	-179.1	0	0	0	0	0	114.3	K190 I191 G197	K190-G195 PolarHBondContact O-N 2.8Å; I191-G195 WeakPolarHBondContact O-CA 3.46Å; G195-G197 PolarHBondContact O-N 2.99Å
196	M	78.1	Confident	88.2	Confident	83 Å²	83	54.2 Å²	54.2	41%	0.409	30%	0.298	S	S	.	.			trans	-84.7	104.5	-177.2	-67.3	-168	-175.8	0	0	111	K190 E194 I200	K190-M196 PolarHBondContact O-N 3.29Å; E194-M196 HydrophobicContact CB-CE 4.44Å; E194-M196 HydrophobicContact CB-CG 4.01Å; E194-M196 PolarHBondContact O-N 3.32Å; E194-M196 VanDerWaalsContact OE2-CE 3.28Å; E194-M196 WeakPolarHBondContact OE2-CE 3.43Å; M196-I200 WeakPolarHBondContact O-CD1 3.18Å; M196-I200 WeakPolarHBondContact O-CG1 3.45Å
197	G	71.1	Confident	87.7	Confident	4 Å²	4	52.6 Å²	52.6	4%	0.041	29%	0.294	C	S	.	.			trans	-104.8	-40	172.5	0	0	0	0	0	114.8	G195 Y229 I233	G195-G197 PolarHBondContact O-N 2.99Å; G197-Y229 WeakPolarHBondContact O-CE2 3.29Å; G197-I233 VanDerWaalsContact O-CG2 3.23Å; G197-I233 WeakPolarHBondContact O-CG2 3.44Å
198	Q	74.6	Confident	87.3	Confident	47 Å²	47	58.2 Å²	58.2	22%	0.22	32%	0.324	C	S	.	.	S	Bend	trans	-72.5	-33.8	-168.8	-70.8	-104.1	0.8	0	0	113.6	R102 S106 S236	R102-Q198 PolarHBondContact NH1-O 3.07Å; R102-Q198 VanDerWaalsContact NH1-OE1 3.07Å; R102-Q198 PolarHBondContact NH2-O 2.95Å; S106-Q198 PolarHBondContact OG-NE2 3.26Å; S106-Q198 PolarHBondContact OG-OE1 3.45Å; Q198-S236 PolarHBondContact NE2-OG 2.98Å; Q198-S236 VanDerWaalsContact NE2-OG 3.07Å
199	T	82.4	Confident	86.9	Confident	68 Å²	68	57.6 Å²	57.6	42%	0.417	32%	0.319	S	S	.	.			trans	-141.5	74.4	-167.4	54.6	0	0	0	0	111.7	I103	I103-T199 HydrophobicContact CD1-CG2 4.12Å
200	I	90.4	Very high	86.6	Confident	7 Å²	7	56.7 Å²	56.7	4%	0.036	31%	0.312	C	S	.	.			trans	-91.7	121.4	172.4	-56.4	176.3	0	0	0	108.7	Y186 L187 I191 M196 L210 V211 Y229	Y186-I200 HydrophobicContact CE1-CG2 3.78Å; L187-I200 HydrophobicContact CD2-CD1 4.31Å; L187-I200 HydrophobicContact CD2-CG2 3.89Å; I191-I200 HydrophobicContact CD1-CD1 4.19Å; I191-I200 HydrophobicContact CG1-CD1 3.83Å; M196-I200 WeakPolarHBondContact O-CD1 3.18Å; M196-I200 WeakPolarHBondContact O-CG1 3.45Å; I200-L210 CarbonylContact O-C 3.5Å; I200-L210 WeakPolarHBondContact O-CA 3.45Å; I200-V211 HydrophobicContact CG2-CG2 4.06Å; I200-V211 PolarHBondContact O-N 3.36Å; I200-Y229 HydrophobicContact CD1-CD2 4.21Å; I200-Y229 HydrophobicContact CD1-CE2 3.8Å
201	S	91.2	Very high	86.5	Confident	37 Å²	37	54.8 Å²	54.8	26%	0.259	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-95.4	176.1	-180	59.8	0	0	0	0	113.1	Y186 I209	Y186-S201 WeakPolarHBondContact CE1-O 2.94Å; Y186-S201 PolarHBondContact OH-O 3.41Å; S201-I209 CarbonylContact C-O 3.45Å; S201-I209 WeakPolarHBondContact CA-O 3.27Å
202	C	91.9	Very high	86.3	Confident	4 Å²	4	57.5 Å²	57.5	3%	0.027	32%	0.318	C	S	.	.			trans	-65.2	140.2	177	-174.3	0	0	0	0	111.1	L172 C174 A204 C207 I209	L172-C202 HydrophobicContact CD1-CB 3.92Å; C174-C202 VanDerWaalsContact SG-SG 3.68Å; C202-A204 PolarHBondContact O-N 2.77Å; C202-A204 VanDerWaalsContact O-N 3.08Å; C202-C207 HydrophobicContact CB-CB 3.98Å; C202-C207 WeakPolarHBondContact CB-SG 3.14Å; C202-I209 PolarHBondContact N-O 3.47Å
203	P	93.1	Very high	86.3	Confident	34 Å²	34	54.5 Å²	54.5	22%	0.221	30%	0.303	C	S	.	.	S	Bend	trans	-65	-10.4	175.4	-20.1	29.2	0	0	0	115	I159 F178 W183 Y186	I159-P203 HydrophobicContact CD1-CB 4.01Å; F178-P203 HydrophobicContact CD2-CB 4.3Å; F178-P203 HydrophobicContact CD2-CG 4.11Å; F178-P203 HydrophobicContact CE2-CB 3.92Å; F178-P203 HydrophobicContact CE2-CG 4.05Å; F178-P203 HydrophobicContact CZ-CB 4.28Å; W183-P203 HydrophobicContact CE3-CG 4.03Å; W183-P203 HydrophobicContact CH2-CG 3.8Å; W183-P203 HydrophobicContact CZ2-CG 4.36Å; W183-P203 VanDerWaalsContact CZ3-CD 3.42Å; W183-P203 HydrophobicContact CZ3-CG 3.62Å; Y186-P203 HydrophobicContact CD1-CG 3.67Å; Y186-P203 HydrophobicContact CD2-CB 4.2Å; Y186-P203 HydrophobicContact CD2-CG 4.19Å; Y186-P203 HydrophobicContact CE1-CG 3.78Å; Y186-P203 HydrophobicContact CE2-CB 4.23Å; Y186-P203 HydrophobicContact CE2-CG 4.28Å; Y186-P203 HydrophobicContact CG-CB 4.35Å; Y186-P203 HydrophobicContact CG-CG 3.88Å
204	A	90.9	Very high	86.3	Confident	15 Å²	15	52.6 Å²	52.6	12%	0.124	30%	0.298	C	S	.	.	S	Bend	trans	-71.1	144.2	-179.2	0	0	0	0	0	111.6	H176 F178 C202 S206 C207	H176-A204 HydrophobicContact CB-CB 4.13Å; H176-A204 VanDerWaalsContact ND1-CB 3.33Å; H176-A204 WeakPolarHBondContact ND1-CB 3.41Å; F178-A204 HydrophobicContact CE2-CB 4.43Å; F178-A204 HydrophobicContact CZ-CB 3.96Å; C202-A204 PolarHBondContact O-N 2.77Å; C202-A204 VanDerWaalsContact O-N 3.08Å; A204-S206 PolarHBondContact O-N 3.44Å; A204-C207 HydrophobicContact CB-CB 3.85Å; A204-C207 PolarHBondContact O-N 3.44Å
205	H	88.7	Confident	86.5	Confident	179 Å²	179	49 Å²	49	83%	0.829	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	127.5	177.9	-179.7	-90.3	0	0	0	111.5	C207	H205-C207 VanDerWaalsContact C-N 3.34Å; H205-C207 PolarHBondContact O-N 2.8Å
206	S	86.9	Confident	86.9	Confident	102 Å²	102	47.1 Å²	47.1	71%	0.713	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	37.5	-179.1	-52.6	0	0	0	0	114.4	A204	A204-S206 PolarHBondContact O-N 3.44Å
207	C	85.1	Confident	87.5	Confident	14 Å²	14	45.2 Å²	45.2	10%	0.095	25%	0.253	C	S	.	.			trans	-122.5	102.5	177.4	-176.7	0	0	0	0	111.9	C202 A204 H205 I209	C202-C207 HydrophobicContact CB-CB 3.98Å; C202-C207 WeakPolarHBondContact CB-SG 3.14Å; A204-C207 HydrophobicContact CB-CB 3.85Å; A204-C207 PolarHBondContact O-N 3.44Å; H205-C207 VanDerWaalsContact C-N 3.34Å; H205-C207 PolarHBondContact O-N 2.8Å; C207-I209 VanDerWaalsContact C-N 3.33Å; C207-I209 PolarHBondContact O-N 3.02Å
208	D	85.2	Confident	88.5	Confident	119 Å²	119	51.7 Å²	51.7	64%	0.636	28%	0.276	S	S	*	.			trans	-91.5	14	-177	-56.1	-50.2	0	0	0	114.3	L210	D208-L210 PolarHBondContact O-N 3.3Å
209	I	85.2	Confident	89.4	Confident	34 Å²	34	50.3 Å²	50.3	17%	0.174	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-65.3	125.5	173.5	-59.2	-158.7	0	0	0	109.1	I134 C174 S201 C202 C207	I134-I209 HydrophobicContact CD1-CG1 4.15Å; C174-I209 HydrophobicContact CB-CD1 3.58Å; C174-I209 HydrophobicContact CB-CG1 4.22Å; S201-I209 CarbonylContact C-O 3.45Å; S201-I209 WeakPolarHBondContact CA-O 3.27Å; C202-I209 PolarHBondContact N-O 3.47Å; C207-I209 VanDerWaalsContact C-N 3.33Å; C207-I209 PolarHBondContact O-N 3.02Å
210	L	88.9	Confident	89.9	Confident	34 Å²	34	47.2 Å²	47.2	18%	0.178	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-71.7	145.3	179.7	-61.8	-179.6	0	0	0	112.2	I100 I103 V133 I200 D208	I100-L210 HydrophobicContact CD1-CD1 4.02Å; I103-L210 HydrophobicContact CD1-CD1 3.28Å; V133-L210 HydrophobicContact CG1-CD1 3.87Å; I200-L210 CarbonylContact O-C 3.5Å; I200-L210 WeakPolarHBondContact O-CA 3.45Å; D208-L210 PolarHBondContact O-N 3.3Å
211	V	89.7	Confident	89.9	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.024	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-79.3	126.9	168.1	-169.1	0	0	0	0	107.8	L172 W183 I200 T215 V216	L172-V211 HydrophobicContact CD1-CG2 4.04Å; L172-V211 HydrophobicContact CD2-CG1 4.22Å; W183-V211 HydrophobicContact CH2-CG2 4.22Å; W183-V211 HydrophobicContact CZ3-CG2 3.86Å; I200-V211 HydrophobicContact CG2-CG2 4.06Å; I200-V211 PolarHBondContact O-N 3.36Å; V211-T215 HydrophobicContact CG1-CG2 3.92Å; V211-V216 HydrophobicContact CB-CG2 3.99Å; V211-V216 HydrophobicContact CG1-CG2 3.49Å; V211-V216 VanDerWaalsContact CG1-CG2 3.49Å
212	D	88.5	Confident	90	Very high	57 Å²	57	55.4 Å²	55.4	31%	0.305	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-71.1	147.8	176.7	67.9	111.2	0	0	0	111.7	T99 N214 T215 V216	T99-D212 WeakPolarHBondContact OG1-CA 3.28Å; D212-N214 PolarHBondContact O-N 3.24Å; D212-N214 VanDerWaalsContact O-N 3.14Å; D212-N214 WeakPolarHBondContact OD1-CB 3.49Å; D212-T215 VanDerWaalsContact CG-OG1 3.28Å; D212-T215 PolarHBondContact O-N 2.82Å; D212-T215 PolarHBondContact OD1-N 3.02Å; D212-T215 PolarHBondContact OD1-OG1 3.01Å; D212-T215 WeakPolarHBondContact OD2-CB 3.46Å; D212-T215 PolarHBondContact OD2-OG1 3.08Å; D212-V216 PolarHBondContact O-N 3.36Å
213	D	89.5	Confident	90	Very high	27 Å²	27	59.5 Å²	59.5	14%	0.144	33%	0.325	C	S	.	.	H	α-helix	trans	-60.3	-32.6	-171.5	-45.8	-70	0	0	0	111.6	T99 R102 V216 M217 Y229 I233	T99-D213 PolarHBondContact OG1-N 2.95Å; T99-D213 PolarHBondContact OG1-OD2 3.1Å; R102-D213 IonicContact CZ-OD1 2.66Å; R102-D213 IonicContact NE-OD1 3.29Å; R102-D213 PolarHBondContact NE-OD1 3.4Å; R102-D213 IonicContact NE-OD2 3.9Å; R102-D213 PolarHBondContact NE-OD2 3.28Å; R102-D213 IonicContact NH2-OD1 2.86Å; R102-D213 PolarHBondContact NH2-OD1 3.17Å; D213-V216 PolarHBondContact O-N 2.8Å; D213-M217 VanDerWaalsContact O-CG 3.26Å; D213-M217 WeakPolarHBondContact O-CG 3.27Å; D213-M217 PolarHBondContact O-N 2.88Å; D213-Y229 HydrophobicContact CB-CE1 4.4Å; D213-Y229 PolarHBondContact OD1-OH 2.87Å; D213-I233 HydrophobicContact CB-CD1 4.45Å
214	N	89.5	Confident	89.9	Confident	111 Å²	111	65.8 Å²	65.8	59%	0.594	35%	0.349	S	S	*	.	H	α-helix	trans	-68.6	-41.5	176.3	179.5	46.8	0	0	0	112.4	D212 M217 R218	D212-N214 PolarHBondContact O-N 3.24Å; D212-N214 VanDerWaalsContact O-N 3.14Å; D212-N214 WeakPolarHBondContact OD1-CB 3.49Å; N214-M217 PolarHBondContact O-N 2.99Å; N214-R218 WeakPolarHBondContact O-CB 3.47Å; N214-R218 PolarHBondContact O-N 3.46Å
215	T	90.7	Very high	89.9	Confident	10 Å²	10	65.3 Å²	65.3	6%	0.061	35%	0.345	C	S	.	.	H	α-helix	trans	-63.5	-40.4	173.6	-67.3	0	0	0	0	111.8	L172 V211 D212 R218 L219	L172-T215 HydrophobicContact CD2-CG2 4.4Å; V211-T215 HydrophobicContact CG1-CG2 3.92Å; D212-T215 VanDerWaalsContact CG-OG1 3.28Å; D212-T215 PolarHBondContact O-N 2.82Å; D212-T215 PolarHBondContact OD1-N 3.02Å; D212-T215 PolarHBondContact OD1-OG1 3.01Å; D212-T215 WeakPolarHBondContact OD2-CB 3.46Å; D212-T215 PolarHBondContact OD2-OG1 3.08Å; T215-R218 PolarHBondContact O-N 3.35Å; T215-R218 PolarHBondContact OG1-NH2 2.9Å; T215-L219 HydrophobicContact CG2-CD1 3.46Å; T215-L219 VanDerWaalsContact CG2-CD1 3.46Å; T215-L219 HydrophobicContact CG2-CG 4.13Å; T215-L219 WeakPolarHBondContact O-CB 3.28Å; T215-L219 VanDerWaalsContact O-CG 3.29Å; T215-L219 WeakPolarHBondContact O-CG 3.25Å; T215-L219 PolarHBondContact O-N 3.31Å
216	V	92.6	Very high	90.1	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.1	-50.6	174	179.6	0	0	0	0	110.8	L187 I191 V211 D212 D213 R218 L219 I220 Y229	L187-V216 HydrophobicContact CD1-CG1 4.37Å; L187-V216 HydrophobicContact CD2-CG1 4.45Å; L187-V216 HydrophobicContact CD2-CG2 4.13Å; I191-V216 HydrophobicContact CD1-CG1 4.14Å; V211-V216 HydrophobicContact CB-CG2 3.99Å; V211-V216 HydrophobicContact CG1-CG2 3.49Å; V211-V216 VanDerWaalsContact CG1-CG2 3.49Å; D212-V216 PolarHBondContact O-N 3.36Å; D213-V216 PolarHBondContact O-N 2.8Å; V216-R218 PolarHBondContact O-N 3.19Å; V216-L219 PolarHBondContact O-N 2.91Å; V216-I220 HydrophobicContact CG1-CD1 3.47Å; V216-I220 VanDerWaalsContact CG1-CD1 3.47Å; V216-I220 HydrophobicContact CG1-CG1 4.35Å; V216-I220 WeakPolarHBondContact O-CG1 3.36Å; V216-I220 PolarHBondContact O-N 3.19Å; V216-I220 VanDerWaalsContact O-N 3.12Å; V216-Y229 HydrophobicContact CB-CD1 4.29Å; V216-Y229 HydrophobicContact CB-CE1 3.66Å; V216-Y229 HydrophobicContact CB-CE2 4.49Å; V216-Y229 HydrophobicContact CG1-CD1 3.62Å; V216-Y229 HydrophobicContact CG1-CD2 4.06Å; V216-Y229 HydrophobicContact CG1-CE1 3.45Å; V216-Y229 VanDerWaalsContact CG1-CE1 3.45Å; V216-Y229 HydrophobicContact CG1-CE2 3.92Å; V216-Y229 HydrophobicContact CG1-CG 3.9Å; V216-Y229 HydrophobicContact CG2-CE1 4.28Å; V216-Y229 HydrophobicContact CG2-CE2 4.44Å
217	M	91.4	Very high	90.3	Very high	43 Å²	43	57.6 Å²	57.6	21%	0.212	30%	0.299	C	S	.	.	H	α-helix	trans	-64.2	-27.1	-179.4	-70.1	-60.4	-67.6	0	0	113.8	D213 N214 K226 Y229 Q230	D213-M217 VanDerWaalsContact O-CG 3.26Å; D213-M217 WeakPolarHBondContact O-CG 3.27Å; D213-M217 PolarHBondContact O-N 2.88Å; N214-M217 PolarHBondContact O-N 2.99Å; M217-K226 HydrophobicContact CE-CB 4.09Å; M217-K226 HydrophobicContact CE-CD 4.02Å; M217-K226 HydrophobicContact CE-CG 4.23Å; M217-K226 VanDerWaalsContact O-CE 3.29Å; M217-K226 WeakPolarHBondContact O-CE 3.33Å; M217-K226 PolarHBondContact O-NZ 3.44Å; M217-K226 HydrophobicContact SD-CB 4.33Å; M217-K226 HydrophobicContact SD-CG 4.37Å; M217-Y229 HydrophobicContact CG-CD1 4.44Å; M217-Y229 HydrophobicContact CG-CE1 4.46Å; M217-Y229 HydrophobicContact SD-CD1 3.88Å; M217-Y229 HydrophobicContact SD-CE1 4.46Å; M217-Q230 HydrophobicContact CE-CG 3.97Å; M217-Q230 HydrophobicContact SD-CG 3.99Å
218	R	92.6	Very high	90.6	Very high	140 Å²	140	60.4 Å²	60.4	53%	0.528	31%	0.309	S	S	.	.	H	α-helix	trans	-78.8	-39.7	175.9	-176.3	177.2	63.7	-126.4	-8.7	112.9	N214 T215 V216	N214-R218 WeakPolarHBondContact O-CB 3.47Å; N214-R218 PolarHBondContact O-N 3.46Å; T215-R218 PolarHBondContact O-N 3.35Å; T215-R218 PolarHBondContact OG1-NH2 2.9Å; V216-R218 PolarHBondContact O-N 3.19Å
219	L	92.9	Very high	90.9	Very high	17 Å²	17	54.8 Å²	54.8	9%	0.089	28%	0.279	C	S	.	.	H	α-helix	trans	-83.5	-28.6	-172.7	-69.3	174.6	0	0	0	113.6	T170 M180 W183 L187 T215 V216	T170-L219 HydrophobicContact CG2-CD1 4.12Å; T170-L219 HydrophobicContact CG2-CD2 4.19Å; M180-L219 HydrophobicContact CG-CD2 4.37Å; W183-L219 HydrophobicContact CB-CD1 3.96Å; W183-L219 HydrophobicContact CD2-CD1 3.96Å; W183-L219 HydrophobicContact CE3-CD1 4.25Å; W183-L219 HydrophobicContact CG-CD1 3.85Å; L187-L219 HydrophobicContact CD1-CB 3.86Å; L187-L219 HydrophobicContact CD1-CD1 4.28Å; T215-L219 HydrophobicContact CG2-CD1 3.46Å; T215-L219 VanDerWaalsContact CG2-CD1 3.46Å; T215-L219 HydrophobicContact CG2-CG 4.13Å; T215-L219 WeakPolarHBondContact O-CB 3.28Å; T215-L219 VanDerWaalsContact O-CG 3.29Å; T215-L219 WeakPolarHBondContact O-CG 3.25Å; T215-L219 PolarHBondContact O-N 3.31Å; V216-L219 PolarHBondContact O-N 2.91Å
220	I	93.6	Very high	91.2	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.015	27%	0.274	C	S	.	.			trans	-76	138.4	173.7	-61.5	171	0	0	0	108.9	L187 I191 V216 V225 K226	L187-I220 HydrophobicContact CB-CD1 4.12Å; L187-I220 HydrophobicContact CB-CG1 4.01Å; L187-I220 HydrophobicContact CD1-CG1 4.04Å; I191-I220 HydrophobicContact CD1-CD1 3.34Å; V216-I220 HydrophobicContact CG1-CD1 3.47Å; V216-I220 VanDerWaalsContact CG1-CD1 3.47Å; V216-I220 HydrophobicContact CG1-CG1 4.35Å; V216-I220 WeakPolarHBondContact O-CG1 3.36Å; V216-I220 PolarHBondContact O-N 3.19Å; V216-I220 VanDerWaalsContact O-N 3.12Å; I220-V225 HydrophobicContact CD1-CG1 4.02Å; I220-V225 HydrophobicContact CG2-CB 3.78Å; I220-V225 HydrophobicContact CG2-CG1 3.89Å; I220-K226 HydrophobicContact CB-CG 4.12Å; I220-K226 HydrophobicContact CG2-CG 3.75Å; I220-K226 WeakPolarHBondContact O-CE 3.49Å; I220-K226 PolarHBondContact O-NZ 2.95Å
221	T	90.4	Very high	91.4	Very high	137 Å²	137	53.8 Å²	53.8	84%	0.84	27%	0.273	S	S	*	.			trans	-106	-37.1	177	52.1	0	0	0	0	112.3	S223	T221-S223 PolarHBondContact O-N 3.46Å
222	D	92.6	Very high	91.4	Very high	80 Å²	80	55.1 Å²	55.1	43%	0.428	28%	0.279	S	S	.	.			trans	-68.3	121.2	179.3	-170.9	-18.3	0	0	0	111.6	K224 V225 K226	D222-K224 VanDerWaalsContact C-N 3.28Å; D222-K224 PolarHBondContact O-N 3.38Å; D222-K224 WeakPolarHBondContact OD1-CB 3.42Å; D222-K224 PolarHBondContact OD1-N 2.92Å; D222-V225 HydrophobicContact CB-CB 4.28Å; D222-V225 HydrophobicContact CB-CG2 3.81Å; D222-V225 PolarHBondContact O-N 3.4Å; D222-K226 PolarHBondContact O-N 3.04Å
223	S	91.4	Very high	91.6	Very high	89 Å²	89	52.5 Å²	52.5	62%	0.622	27%	0.265	S	S	*	.	H	α-helix	trans	-60.4	-34.2	178.2	-171.7	0	0	0	0	112.9	T221 K226 L227	T221-S223 PolarHBondContact O-N 3.46Å; S223-K226 PolarHBondContact O-N 3.31Å; S223-L227 WeakPolarHBondContact O-CB 3.33Å; S223-L227 PolarHBondContact O-N 3.49Å
224	K	90.6	Very high	91.8	Very high	167 Å²	167	51.2 Å²	51.2	73%	0.726	26%	0.259	S	S	*	.	H	α-helix	trans	-65.8	-42.9	177.9	-68.1	-177.3	177.4	-178.2	0	111.4	D222 L227 K228	D222-K224 VanDerWaalsContact C-N 3.28Å; D222-K224 PolarHBondContact O-N 3.38Å; D222-K224 WeakPolarHBondContact OD1-CB 3.42Å; D222-K224 PolarHBondContact OD1-N 2.92Å; K224-L227 PolarHBondContact O-N 3.29Å; K224-K228 PolarHBondContact O-N 3.22Å
225	V	92.4	Very high	91.9	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.03	24%	0.24	C	C	.	.	H	α-helix	trans	-67.2	-42.3	178	-174.6	0	0	0	0	110.2	T188 I191 I192 I220 D222 L227 K228 Y229	T188-V225 HydrophobicContact CG2-CG1 4.27Å; T188-V225 HydrophobicContact CG2-CG2 3.84Å; I191-V225 HydrophobicContact CB-CG1 4.25Å; I191-V225 HydrophobicContact CD1-CG1 4.12Å; I191-V225 HydrophobicContact CG2-CG1 4.09Å; I192-V225 HydrophobicContact CD1-CG1 4.41Å; I192-V225 HydrophobicContact CD1-CG2 4.16Å; I192-V225 HydrophobicContact CG1-CG1 4.28Å; I192-V225 HydrophobicContact CG1-CG2 4.1Å; I220-V225 HydrophobicContact CD1-CG1 4.02Å; I220-V225 HydrophobicContact CG2-CB 3.78Å; I220-V225 HydrophobicContact CG2-CG1 3.89Å; D222-V225 HydrophobicContact CB-CB 4.28Å; D222-V225 HydrophobicContact CB-CG2 3.81Å; D222-V225 PolarHBondContact O-N 3.4Å; V225-L227 PolarHBondContact O-N 3.46Å; V225-K228 PolarHBondContact O-N 3.42Å; V225-Y229 PolarHBondContact O-N 3.17Å
226	K	92.3	Very high	92	Very high	58 Å²	58	48 Å²	48	25%	0.252	24%	0.242	S	C	.	.	H	α-helix	trans	-56.4	-49.9	172.7	-71.8	-171.1	-172.7	-159.7	0	111.7	M217 I220 D222 S223 K228 Y229 Q230	M217-K226 HydrophobicContact CE-CB 4.09Å; M217-K226 HydrophobicContact CE-CD 4.02Å; M217-K226 HydrophobicContact CE-CG 4.23Å; M217-K226 VanDerWaalsContact O-CE 3.29Å; M217-K226 WeakPolarHBondContact O-CE 3.33Å; M217-K226 PolarHBondContact O-NZ 3.44Å; M217-K226 HydrophobicContact SD-CB 4.33Å; M217-K226 HydrophobicContact SD-CG 4.37Å; I220-K226 HydrophobicContact CB-CG 4.12Å; I220-K226 HydrophobicContact CG2-CG 3.75Å; I220-K226 WeakPolarHBondContact O-CE 3.49Å; I220-K226 PolarHBondContact O-NZ 2.95Å; D222-K226 PolarHBondContact O-N 3.04Å; S223-K226 PolarHBondContact O-N 3.31Å; K226-K228 VanDerWaalsContact C-N 3.31Å; K226-K228 PolarHBondContact O-N 3.04Å; K226-Y229 WeakPolarHBondContact O-CB 3.27Å; K226-Y229 PolarHBondContact O-N 3.49Å; K226-Q230 VanDerWaalsContact O-CG 3.32Å; K226-Q230 WeakPolarHBondContact O-CG 3.21Å; K226-Q230 PolarHBondContact O-N 3.03Å
227	L	90.9	Very high	92	Very high	60 Å²	60	49.2 Å²	49.2	31%	0.314	25%	0.247	S	C	.	.	H	α-helix	trans	-61.8	-40.9	-178.8	-171.4	65.6	0	0	0	111.7	A76 S223 K224 V225 Q230 H231 H253	A76-L227 HydrophobicContact CB-CD1 3.78Å; S223-L227 WeakPolarHBondContact O-CB 3.33Å; S223-L227 PolarHBondContact O-N 3.49Å; K224-L227 PolarHBondContact O-N 3.29Å; V225-L227 PolarHBondContact O-N 3.46Å; L227-Q230 PolarHBondContact O-N 3.14Å; L227-H231 PolarHBondContact O-N 2.92Å; L227-H253 HydrophobicContact CD1-CB 4.04Å; L227-H253 HydrophobicContact CD2-CB 4.19Å; L227-H253 WeakPolarHBondContact CD2-ND1 3.31Å; L227-H253 HydrophobicContact CG-CB 3.91Å; L227-H253 WeakPolarHBondContact CG-ND1 3.49Å
228	K	90.9	Very high	92.2	Very high	73 Å²	73	47.2 Å²	47.2	32%	0.317	24%	0.238	S	C	.	.	H	α-helix	trans	-62.6	-44.9	174.8	-173.7	64.5	173.8	-175.9	0	111.6	I191 I192 K224 V225 K226 H231 L232	I191-K228 HydrophobicContact CG2-CB 4.12Å; I191-K228 HydrophobicContact CG2-CG 3.96Å; I192-K228 HydrophobicContact CD1-CB 4.22Å; I192-K228 HydrophobicContact CD1-CG 4.15Å; K224-K228 PolarHBondContact O-N 3.22Å; V225-K228 PolarHBondContact O-N 3.42Å; K226-K228 VanDerWaalsContact C-N 3.31Å; K226-K228 PolarHBondContact O-N 3.04Å; K228-H231 WeakPolarHBondContact O-CB 3.38Å; K228-H231 PolarHBondContact O-N 3.02Å; K228-L232 HydrophobicContact CG-CD1 4.35Å; K228-L232 WeakPolarHBondContact O-CG 3.43Å; K228-L232 PolarHBondContact O-N 2.84Å
229	Y	92.3	Very high	92.2	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-60.5	-47.5	176.5	179.8	-113.2	0	0	0	112.2	I191 G197 I200 D213 V216 M217 V225 K226 H231 L232 I233	I191-Y229 HydrophobicContact CD1-CD2 3.78Å; I191-Y229 HydrophobicContact CD1-CG 4Å; I191-Y229 HydrophobicContact CG1-CD2 3.92Å; G197-Y229 WeakPolarHBondContact O-CE2 3.29Å; I200-Y229 HydrophobicContact CD1-CD2 4.21Å; I200-Y229 HydrophobicContact CD1-CE2 3.8Å; D213-Y229 HydrophobicContact CB-CE1 4.4Å; D213-Y229 PolarHBondContact OD1-OH 2.87Å; V216-Y229 HydrophobicContact CB-CD1 4.29Å; V216-Y229 HydrophobicContact CB-CE1 3.66Å; V216-Y229 HydrophobicContact CB-CE2 4.49Å; V216-Y229 HydrophobicContact CG1-CD1 3.62Å; V216-Y229 HydrophobicContact CG1-CD2 4.06Å; V216-Y229 HydrophobicContact CG1-CE1 3.45Å; V216-Y229 VanDerWaalsContact CG1-CE1 3.45Å; V216-Y229 HydrophobicContact CG1-CE2 3.92Å; V216-Y229 HydrophobicContact CG1-CG 3.9Å; V216-Y229 HydrophobicContact CG2-CE1 4.28Å; V216-Y229 HydrophobicContact CG2-CE2 4.44Å; M217-Y229 HydrophobicContact CG-CD1 4.44Å; M217-Y229 HydrophobicContact CG-CE1 4.46Å; M217-Y229 HydrophobicContact SD-CD1 3.88Å; M217-Y229 HydrophobicContact SD-CE1 4.46Å; V225-Y229 PolarHBondContact O-N 3.17Å; K226-Y229 WeakPolarHBondContact O-CB 3.27Å; K226-Y229 PolarHBondContact O-N 3.49Å; Y229-H231 VanDerWaalsContact C-N 3.29Å; Y229-H231 PolarHBondContact O-N 2.75Å; Y229-L232 PolarHBondContact O-N 3.43Å; Y229-L232 VanDerWaalsContact O-N 3.1Å; Y229-I233 HydrophobicContact CD1-CD1 4.44Å; Y229-I233 HydrophobicContact CD2-CG2 4.18Å; Y229-I233 HydrophobicContact CE1-CD1 4.04Å; Y229-I233 HydrophobicContact CE1-CG2 4.19Å; Y229-I233 HydrophobicContact CE2-CG2 3.64Å; Y229-I233 PolarHBondContact O-N 3.2Å
230	Q	92.3	Very high	92.2	Very high	12 Å²	12	48.8 Å²	48.8	6%	0.056	26%	0.256	C	S	.	.	H	α-helix	trans	-55.4	-45	175.9	-70.7	-175.7	-28.6	0	0	111.7	A76 E77 L80 M217 K226 L227 I233 T234	A76-Q230 HydrophobicContact CB-CB 4.33Å; E77-Q230 PolarHBondContact OE2-NE2 2.89Å; L80-Q230 HydrophobicContact CD2-CG 3.99Å; M217-Q230 HydrophobicContact CE-CG 3.97Å; M217-Q230 HydrophobicContact SD-CG 3.99Å; K226-Q230 VanDerWaalsContact O-CG 3.32Å; K226-Q230 WeakPolarHBondContact O-CG 3.21Å; K226-Q230 PolarHBondContact O-N 3.03Å; L227-Q230 PolarHBondContact O-N 3.14Å; Q230-I233 WeakPolarHBondContact O-CG1 3.19Å; Q230-T234 WeakPolarHBondContact O-CB 3.42Å; Q230-T234 WeakPolarHBondContact O-CG2 3.36Å; Q230-T234 PolarHBondContact O-N 3.07Å; Q230-T234 VanDerWaalsContact O-N 3.09Å; Q230-T234 PolarHBondContact O-OG1 3.49Å
231	H	91.2	Very high	92.2	Very high	34 Å²	34	51.3 Å²	51.3	16%	0.157	27%	0.269	C	S	.	.	H	α-helix	trans	-60.4	-46.4	174.9	170.6	71.6	0	0	0	112.2	L227 K228 Y229 I233 T234 N235 W246 H253	L227-H231 PolarHBondContact O-N 2.92Å; K228-H231 WeakPolarHBondContact O-CB 3.38Å; K228-H231 PolarHBondContact O-N 3.02Å; Y229-H231 VanDerWaalsContact C-N 3.29Å; Y229-H231 PolarHBondContact O-N 2.75Å; H231-I233 PolarHBondContact O-N 3.24Å; H231-T234 PolarHBondContact O-N 3.05Å; H231-T234 PolarHBondContact O-OG1 3.35Å; H231-N235 WeakPolarHBondContact O-CB 3.4Å; H231-N235 PolarHBondContact O-N 3.47Å; H231-W246 HydrophobicContact CB-CH2 4.24Å; H231-W246 AromaticContact CE1-CD2 3.55Å; H231-W246 AromaticContact CE1-CE2 3.57Å; H231-W246 AromaticContact CE1-CE3 3.84Å; H231-W246 AromaticContact CE1-CG 3.98Å; H231-W246 AromaticContact CE1-CZ2 3.93Å; H231-W246 AromaticContact CE1-NE1 3.89Å; H231-W246 AromaticContact ND1-CD2 3.46Å; H231-W246 AromaticContact ND1-CE2 3.38Å; H231-W246 AromaticContact ND1-CE3 3.37Å; H231-W246 AromaticContact ND1-CH2 3.25Å; H231-W246 VanDerWaalsContact ND1-CH2 3.25Å; H231-W246 WeakPolarHBondContact ND1-CH2 3.45Å; H231-W246 AromaticContact ND1-CZ2 3.28Å; H231-W246 VanDerWaalsContact ND1-CZ2 3.28Å; H231-W246 WeakPolarHBondContact ND1-CZ2 3.33Å; H231-W246 AromaticContact ND1-CZ3 3.27Å; H231-W246 VanDerWaalsContact ND1-CZ3 3.27Å; H231-W246 WeakPolarHBondContact ND1-CZ3 3.46Å; H231-H253 HydrophobicContact CB-CB 4.4Å; H231-H253 VanDerWaalsContact CB-CD2 3.42Å; H231-H253 WeakPolarHBondContact CB-CD2 3.34Å; H231-H253 AromaticContact CD2-CD2 3.93Å; H231-H253 AromaticContact CG-CD2 3.52Å
232	L	91.3	Very high	92.4	Very high	32 Å²	32	53.4 Å²	53.4	17%	0.168	26%	0.262	C	S	.	.	H	α-helix	trans	-64.2	-41.6	-178.4	-66	170.1	0	0	0	112.8	I191 K228 Y229	I191-L232 HydrophobicContact CG2-CD1 4.19Å; K228-L232 HydrophobicContact CG-CD1 4.35Å; K228-L232 WeakPolarHBondContact O-CG 3.43Å; K228-L232 PolarHBondContact O-N 2.84Å; Y229-L232 PolarHBondContact O-N 3.43Å; Y229-L232 VanDerWaalsContact O-N 3.1Å
233	I	91.1	Very high	92.6	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-72.9	-28.7	178.9	64.5	175.1	0	0	0	112.7	L80 M83 G197 D213 Y229 Q230 H231	L80-I233 HydrophobicContact CD1-CD1 3.78Å; L80-I233 HydrophobicContact CD1-CG1 4.46Å; M83-I233 HydrophobicContact CE-CD1 4.32Å; M83-I233 HydrophobicContact CE-CG1 4.26Å; G197-I233 VanDerWaalsContact O-CG2 3.23Å; G197-I233 WeakPolarHBondContact O-CG2 3.44Å; D213-I233 HydrophobicContact CB-CD1 4.45Å; Y229-I233 HydrophobicContact CD1-CD1 4.44Å; Y229-I233 HydrophobicContact CD2-CG2 4.18Å; Y229-I233 HydrophobicContact CE1-CD1 4.04Å; Y229-I233 HydrophobicContact CE1-CG2 4.19Å; Y229-I233 HydrophobicContact CE2-CG2 3.64Å; Y229-I233 PolarHBondContact O-N 3.2Å; Q230-I233 WeakPolarHBondContact O-CG1 3.19Å; H231-I233 PolarHBondContact O-N 3.24Å
234	T	93.6	Very high	92.9	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-90	-10	178.3	56.2	0	0	0	0	113.4	I79 L80 M83 Q230 H231 S236 F237 V238 W246	I79-T234 HydrophobicContact CG2-CG2 4.06Å; L80-T234 HydrophobicContact CB-CG2 4.1Å; L80-T234 HydrophobicContact CD1-CG2 4.12Å; M83-T234 HydrophobicContact CE-CG2 3.81Å; M83-T234 HydrophobicContact SD-CG2 3.9Å; Q230-T234 WeakPolarHBondContact O-CB 3.42Å; Q230-T234 WeakPolarHBondContact O-CG2 3.36Å; Q230-T234 PolarHBondContact O-N 3.07Å; Q230-T234 VanDerWaalsContact O-N 3.09Å; Q230-T234 PolarHBondContact O-OG1 3.49Å; H231-T234 PolarHBondContact O-N 3.05Å; H231-T234 PolarHBondContact O-OG1 3.35Å; T234-S236 PolarHBondContact O-N 2.9Å; T234-F237 WeakPolarHBondContact O-CB 3.31Å; T234-F237 PolarHBondContact O-N 3.3Å; T234-V238 PolarHBondContact O-N 3.35Å; T234-V238 VanDerWaalsContact O-N 3.1Å; T234-W246 WeakPolarHBondContact OG1-CH2 3.36Å; T234-W246 WeakPolarHBondContact OG1-CZ2 3.26Å
235	N	92.5	Very high	93.1	Very high	39 Å²	39	42.8 Å²	42.8	21%	0.209	20%	0.203	C	C	.	.	H	α-helix	trans	-57.2	-48.2	-173.6	-169.1	50.2	0	0	0	112.5	H231 F237 V238 E239 W246	H231-N235 WeakPolarHBondContact O-CB 3.4Å; H231-N235 PolarHBondContact O-N 3.47Å; N235-F237 VanDerWaalsContact C-N 3.26Å; N235-F237 PolarHBondContact O-N 3.01Å; N235-V238 PolarHBondContact O-N 3.4Å; N235-V238 VanDerWaalsContact O-N 3.16Å; N235-E239 PolarHBondContact ND2-OE1 3.05Å; N235-E239 PolarHBondContact ND2-OE2 2.8Å; N235-E239 WeakPolarHBondContact O-CG 3.26Å; N235-E239 PolarHBondContact O-N 3.43Å; N235-E239 PolarHBondContact OD1-OE1 2.87Å; N235-W246 PolarHBondContact OD1-NE1 3.31Å
236	S	92.2	Very high	93.3	Very high	14 Å²	14	44.3 Å²	44.3	10%	0.098	21%	0.208	C	C	.	.	H	α-helix	trans	-58.9	-36.9	177.3	64.4	0	0	0	0	113.1	S106 W110 Q198 T234 V238 C240	S106-S236 WeakPolarHBondContact OG-CB 3.34Å; S106-S236 PolarHBondContact OG-OG 3Å; W110-S236 VanDerWaalsContact NE1-C 3.33Å; W110-S236 PolarHBondContact NE1-OG 3.14Å; Q198-S236 PolarHBondContact NE2-OG 2.98Å; Q198-S236 VanDerWaalsContact NE2-OG 3.07Å; T234-S236 PolarHBondContact O-N 2.9Å; S236-V238 VanDerWaalsContact C-N 3.35Å; S236-C240 WeakPolarHBondContact O-CB 3.46Å; S236-C240 PolarHBondContact O-N 3.47Å; S236-C240 VanDerWaalsContact O-N 3.1Å; S236-C240 PolarHBondContact O-SG 2.87Å
237	F	93.9	Very high	93.5	Very high	26 Å²	26	41.9 Å²	41.9	11%	0.114	20%	0.198	C	C	.	.	H	α-helix	trans	-66.9	-39	179.6	176.7	-106	0	0	0	111.3	I79 H82 M83 C86 W110 T234 N235 N241 L244	I79-F237 HydrophobicContact CG2-CD1 3.99Å; I79-F237 HydrophobicContact CG2-CE1 4.33Å; H82-F237 HydrophobicContact CB-CE1 4.37Å; H82-F237 HydrophobicContact CB-CZ 4.43Å; M83-F237 HydrophobicContact CB-CD1 4.11Å; M83-F237 HydrophobicContact CB-CD2 4.42Å; M83-F237 HydrophobicContact CB-CE1 4.32Å; M83-F237 HydrophobicContact CB-CG 4.16Å; M83-F237 HydrophobicContact CG-CB 4.15Å; M83-F237 HydrophobicContact CG-CD1 4.43Å; M83-F237 HydrophobicContact CG-CD2 4.11Å; M83-F237 HydrophobicContact CG-CG 3.98Å; M83-F237 HydrophobicContact SD-CB 3.95Å; M83-F237 HydrophobicContact SD-CG 4.4Å; C86-F237 HydrophobicContact CB-CE2 4.42Å; W110-F237 HydrophobicContact CD2-CB 4.21Å; W110-F237 AromaticContact CD2-CD2 3.64Å; W110-F237 HydrophobicContact CD2-CD2 3.64Å; W110-F237 HydrophobicContact CD2-CG 4.43Å; W110-F237 AromaticContact CE2-CD2 3.96Å; W110-F237 AromaticContact CE3-CD2 3.55Å; W110-F237 HydrophobicContact CE3-CD2 3.55Å; W110-F237 HydrophobicContact CE3-CE2 4.16Å; W110-F237 HydrophobicContact CG-CD2 4.22Å; W110-F237 HydrophobicContact CH2-CB 4.3Å; W110-F237 HydrophobicContact CH2-CD2 4.14Å; W110-F237 HydrophobicContact CZ2-CB 3.72Å; W110-F237 HydrophobicContact CZ2-CD2 4.22Å; W110-F237 HydrophobicContact CZ2-CG 4.41Å; W110-F237 AromaticContact CZ3-CD2 3.8Å; W110-F237 HydrophobicContact CZ3-CD2 3.8Å; W110-F237 HydrophobicContact CZ3-CE2 4.4Å; W110-F237 VanDerWaalsContact NE1-CA 3.34Å; T234-F237 WeakPolarHBondContact O-CB 3.31Å; T234-F237 PolarHBondContact O-N 3.3Å; N235-F237 VanDerWaalsContact C-N 3.26Å; N235-F237 PolarHBondContact O-N 3.01Å; F237-N241 WeakPolarHBondContact O-CB 2.73Å; F237-L244 HydrophobicContact CD1-CD1 4.49Å; F237-L244 HydrophobicContact CE1-CD1 4.16Å
238	V	95.2	Very high	93.7	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-73.1	-48.8	177.3	174.4	0	0	0	0	110.9	I79 T234 N235 S236 C240 N241 L244 W246 V255	I79-V238 HydrophobicContact CG2-CG2 3.8Å; T234-V238 PolarHBondContact O-N 3.35Å; T234-V238 VanDerWaalsContact O-N 3.1Å; N235-V238 PolarHBondContact O-N 3.4Å; N235-V238 VanDerWaalsContact O-N 3.16Å; S236-V238 VanDerWaalsContact C-N 3.35Å; V238-C240 VanDerWaalsContact C-N 3.3Å; V238-C240 PolarHBondContact O-N 3.19Å; V238-N241 PolarHBondContact O-N 3.4Å; V238-L244 HydrophobicContact CG1-CB 3.89Å; V238-L244 HydrophobicContact CG2-CD1 4.49Å; V238-W246 HydrophobicContact CB-CZ2 4.14Å; V238-W246 HydrophobicContact CG1-CD2 4.31Å; V238-W246 HydrophobicContact CG1-CG 4.11Å; V238-W246 HydrophobicContact CG2-CH2 4.35Å; V238-W246 HydrophobicContact CG2-CZ2 3.6Å; V238-V255 HydrophobicContact CG1-CG1 4.14Å; V238-V255 HydrophobicContact CG1-CG2 4.39Å; V238-V255 HydrophobicContact CG2-CG1 4.39Å; V238-V255 HydrophobicContact CG2-CG2 3.97Å
239	E	92.6	Very high	93.8	Very high	137 Å²	137	38.9 Å²	38.9	64%	0.64	19%	0.191	S	C	*	.	H	α-helix	trans	-63.3	-33.3	-177.4	-73.3	178	171.6	0	0	113.4	N235 N241	N235-E239 PolarHBondContact ND2-OE1 3.05Å; N235-E239 PolarHBondContact ND2-OE2 2.8Å; N235-E239 WeakPolarHBondContact O-CG 3.26Å; N235-E239 PolarHBondContact O-N 3.43Å; N235-E239 PolarHBondContact OD1-OE1 2.87Å; E239-N241 VanDerWaalsContact C-N 3.28Å
240	C	92.9	Very high	93.6	Very high	52 Å²	52	44 Å²	44	35%	0.351	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-12.2	177	-62.2	0	0	0	0	112.9	N109 W110 S236 V238	N109-C240 HydrophobicContact CB-CB 4.48Å; N109-C240 WeakPolarHBondContact O-CB 3.28Å; W110-C240 HydrophobicContact CB-CB 4.45Å; S236-C240 WeakPolarHBondContact O-CB 3.46Å; S236-C240 PolarHBondContact O-N 3.47Å; S236-C240 VanDerWaalsContact O-N 3.1Å; S236-C240 PolarHBondContact O-SG 2.87Å; V238-C240 VanDerWaalsContact C-N 3.3Å; V238-C240 PolarHBondContact O-N 3.19Å
241	N	93.6	Very high	93.3	Very high	56 Å²	56	50.6 Å²	50.6	30%	0.299	26%	0.261	S	S	.	.			trans	-101.4	108.6	179.7	-170.5	-26.3	0	0	0	111.1	F237 V238 E239 L243 L244	F237-N241 WeakPolarHBondContact O-CB 2.73Å; V238-N241 PolarHBondContact O-N 3.4Å; E239-N241 VanDerWaalsContact C-N 3.28Å; N241-L243 PolarHBondContact O-N 3.22Å; N241-L243 WeakPolarHBondContact OD1-CB 3.44Å; N241-L243 PolarHBondContact OD1-N 3.15Å; N241-L244 HydrophobicContact CB-CB 4.21Å; N241-L244 HydrophobicContact CB-CD1 3.9Å; N241-L244 HydrophobicContact CB-CG 4.01Å; N241-L244 PolarHBondContact O-N 2.99Å
242	R	94.8	Very high	93.4	Very high	181 Å²	181	49.9 Å²	49.9	68%	0.683	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-22	179.4	70.9	-178	-176.7	114.8	1.2	115	P261	R242-P261 HydrophobicContact CB-CG 4.03Å; R242-P261 HydrophobicContact CG-CG 3.96Å; R242-P261 WeakPolarHBondContact O-CG 3.32Å
243	L	96.7	Very high	93.5	Very high	42 Å²	42	49.4 Å²	49.4	22%	0.22	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-4	-178.9	-58.1	-178	0	0	0	113.2	N241 K257 V258 Q259 P261	N241-L243 PolarHBondContact O-N 3.22Å; N241-L243 WeakPolarHBondContact OD1-CB 3.44Å; N241-L243 PolarHBondContact OD1-N 3.15Å; L243-K257 VanDerWaalsContact O-CA 3.28Å; L243-K257 WeakPolarHBondContact O-CA 3.4Å; L243-V258 HydrophobicContact CD2-CG2 4.27Å; L243-V258 PolarHBondContact O-N 3.49Å; L243-Q259 WeakPolarHBondContact CD2-O 3.34Å; L243-P261 HydrophobicContact CD2-CG 4.09Å
244	L	96.9	Very high	93.7	Very high	13 Å²	13	51.7 Å²	51.7	7%	0.068	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139.9	-178.3	-58.3	179.8	0	0	0	110.5	I79 F237 V238 N241 V255 V256 K257	I79-L244 HydrophobicContact CD1-CD1 4.33Å; I79-L244 HydrophobicContact CD1-CD2 4.46Å; F237-L244 HydrophobicContact CD1-CD1 4.49Å; F237-L244 HydrophobicContact CE1-CD1 4.16Å; V238-L244 HydrophobicContact CG1-CB 3.89Å; V238-L244 HydrophobicContact CG2-CD1 4.49Å; N241-L244 HydrophobicContact CB-CB 4.21Å; N241-L244 HydrophobicContact CB-CD1 3.9Å; N241-L244 HydrophobicContact CB-CG 4.01Å; N241-L244 PolarHBondContact O-N 2.99Å; L244-V255 HydrophobicContact CB-CG1 3.85Å; L244-V255 HydrophobicContact CD2-CG1 4.04Å; L244-V255 HydrophobicContact CG-CG1 4.42Å; L244-V256 WeakPolarHBondContact CA-O 3.43Å; L244-K257 HydrophobicContact CD2-CB 3.62Å; L244-K257 HydrophobicContact CD2-CD 4.16Å; L244-K257 HydrophobicContact CD2-CG 3.7Å
245	K	96.4	Very high	93.9	Very high	59 Å²	59	51.7 Å²	51.7	26%	0.257	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	140	168.6	-88.4	-127.8	-175.8	175.8	0	112	V255 V256 F274 F276 N277 C278	K245-V255 CarbonylContact O-C 3.56Å; K245-V255 WeakPolarHBondContact O-CA 3.49Å; K245-V256 PolarHBondContact N-O 2.94Å; K245-V256 PolarHBondContact O-N 3.35Å; K245-F274 HydrophobicContact CB-CE2 4.43Å; K245-F276 HydrophobicContact CB-CD2 4.09Å; K245-F276 HydrophobicContact CB-CE2 3.69Å; K245-F276 HydrophobicContact CB-CZ 4.26Å; K245-F276 WeakPolarHBondContact CD-O 3.36Å; K245-F276 WeakPolarHBondContact CE-O 3.37Å; K245-F276 HydrophobicContact CG-CD2 4.34Å; K245-F276 HydrophobicContact CG-CE2 3.94Å; K245-F276 HydrophobicContact CG-CZ 4.06Å; K245-F276 PolarHBondContact NZ-O 3.27Å; K245-N277 WeakPolarHBondContact CE-O 3.33Å; K245-N277 PolarHBondContact NZ-O 2.98Å; K245-C278 VanDerWaalsContact NZ-C 3.28Å; K245-C278 PolarHBondContact NZ-O 3.07Å
246	W	96.3	Very high	94.1	Very high	36 Å²	36	49.8 Å²	49.8	14%	0.136	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	146.3	169.2	-66.8	108.1	0	0	0	111.7	H231 T234 N235 V238 H253 V255	H231-W246 HydrophobicContact CB-CH2 4.24Å; H231-W246 AromaticContact CE1-CD2 3.55Å; H231-W246 AromaticContact CE1-CE2 3.57Å; H231-W246 AromaticContact CE1-CE3 3.84Å; H231-W246 AromaticContact CE1-CG 3.98Å; H231-W246 AromaticContact CE1-CZ2 3.93Å; H231-W246 AromaticContact CE1-NE1 3.89Å; H231-W246 AromaticContact ND1-CD2 3.46Å; H231-W246 AromaticContact ND1-CE2 3.38Å; H231-W246 AromaticContact ND1-CE3 3.37Å; H231-W246 AromaticContact ND1-CH2 3.25Å; H231-W246 VanDerWaalsContact ND1-CH2 3.25Å; H231-W246 WeakPolarHBondContact ND1-CH2 3.45Å; H231-W246 AromaticContact ND1-CZ2 3.28Å; H231-W246 VanDerWaalsContact ND1-CZ2 3.28Å; H231-W246 WeakPolarHBondContact ND1-CZ2 3.33Å; H231-W246 AromaticContact ND1-CZ3 3.27Å; H231-W246 VanDerWaalsContact ND1-CZ3 3.27Å; H231-W246 WeakPolarHBondContact ND1-CZ3 3.46Å; T234-W246 WeakPolarHBondContact OG1-CH2 3.36Å; T234-W246 WeakPolarHBondContact OG1-CZ2 3.26Å; N235-W246 PolarHBondContact OD1-NE1 3.31Å; V238-W246 HydrophobicContact CB-CZ2 4.14Å; V238-W246 HydrophobicContact CG1-CD2 4.31Å; V238-W246 HydrophobicContact CG1-CG 4.11Å; V238-W246 HydrophobicContact CG2-CH2 4.35Å; V238-W246 HydrophobicContact CG2-CZ2 3.6Å; W246-H253 HydrophobicContact CZ3-CB 4.45Å; W246-V255 HydrophobicContact CD2-CG2 3.69Å; W246-V255 HydrophobicContact CE3-CG2 3.3Å; W246-V255 HydrophobicContact CH2-CG2 3.75Å; W246-V255 HydrophobicContact CZ2-CG2 4.13Å; W246-V255 HydrophobicContact CZ3-CG2 3.33Å
247	C	96.1	Very high	94.4	Very high	7 Å²	7	53 Å²	53	5%	0.047	27%	0.269	C	S	.	.			trans	-65.5	131.3	165.1	-176.6	0	0	0	0	109.7	A249 C252 H254 C268 F274	C247-A249 PolarHBondContact O-N 2.69Å; C247-C252 HydrophobicContact CB-CB 4.36Å; C247-H254 PolarHBondContact N-O 2.65Å; C247-C268 HydrophobicContact CB-CB 4.23Å; C247-C268 VanDerWaalsContact SG-CB 3.57Å; C247-F274 HydrophobicContact CB-CE1 4.47Å
248	P	95.3	Very high	94.5	Very high	53 Å²	53	52 Å²	52	34%	0.344	27%	0.265	S	S	.	.			trans	-77.6	-2.6	-179.5	31.6	-36.5	0	0	0	113.5	R272 F274	P248-R272 HydrophobicContact CG-CG 4.17Å; P248-F274 VanDerWaalsContact CD-CD1 3.41Å; P248-F274 HydrophobicContact CG-CB 3.74Å; P248-F274 HydrophobicContact CG-CD1 3.98Å; P248-F274 HydrophobicContact CG-CD2 4.19Å; P248-F274 HydrophobicContact CG-CG 3.73Å
249	A	92.9	Very high	94.5	Very high	17 Å²	17	57.9 Å²	57.9	14%	0.14	29%	0.292	C	S	.	.	S	Bend	trans	-69	134.1	179.7	0	0	0	0	0	110.6	C247 C252 R272	C247-A249 PolarHBondContact O-N 2.69Å; A249-C252 HydrophobicContact CB-CB 3.75Å; A249-C252 WeakPolarHBondContact O-CB 3.45Å; A249-C252 PolarHBondContact O-N 3.05Å; A249-C252 VanDerWaalsContact O-N 3.16Å; A249-R272 HydrophobicContact CB-CB 4.03Å; A249-R272 HydrophobicContact CB-CG 4.14Å
250	P	88.3	Confident	94.6	Very high	110 Å²	110	55.6 Å²	55.6	71%	0.714	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	142.9	174.9	26.1	-33.4	0	0	0	109.7	C252	P250-C252 PolarHBondContact O-N 3.28Å
251	D	86.3	Confident	94.7	Very high	151 Å²	151	55.4 Å²	55.4	81%	0.807	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	3.4	-177.3	-53.7	-41.7	0	0	0	116.2	H253	D251-H253 PolarHBondContact O-ND1 2.94Å
252	C	92.5	Very high	94.8	Very high	18 Å²	18	55.6 Å²	55.6	12%	0.122	28%	0.277	C	S	.	.			trans	-95	115.2	173.9	-172.2	0	0	0	0	110.8	C247 A249 P250 H254	C247-C252 HydrophobicContact CB-CB 4.36Å; A249-C252 HydrophobicContact CB-CB 3.75Å; A249-C252 WeakPolarHBondContact O-CB 3.45Å; A249-C252 PolarHBondContact O-N 3.05Å; A249-C252 VanDerWaalsContact O-N 3.16Å; P250-C252 PolarHBondContact O-N 3.28Å; C252-H254 PolarHBondContact SG-ND1 2.91Å
253	H	93.1	Very high	94.7	Very high	23 Å²	23	48.8 Å²	48.8	11%	0.106	26%	0.26	C	S	.	.			trans	-106.8	36.9	-179.7	-53.1	93.3	0	0	0	111.6	A76 L227 H231 W246 D251	A76-H253 HydrophobicContact CB-CB 4.18Å; A76-H253 WeakPolarHBondContact CB-O 3.42Å; A76-H253 PolarHBondContact N-O 3.11Å; L227-H253 HydrophobicContact CD1-CB 4.04Å; L227-H253 HydrophobicContact CD2-CB 4.19Å; L227-H253 WeakPolarHBondContact CD2-ND1 3.31Å; L227-H253 HydrophobicContact CG-CB 3.91Å; L227-H253 WeakPolarHBondContact CG-ND1 3.49Å; H231-H253 HydrophobicContact CB-CB 4.4Å; H231-H253 VanDerWaalsContact CB-CD2 3.42Å; H231-H253 WeakPolarHBondContact CB-CD2 3.34Å; H231-H253 AromaticContact CD2-CD2 3.93Å; H231-H253 AromaticContact CG-CD2 3.52Å; W246-H253 HydrophobicContact CZ3-CB 4.45Å; D251-H253 PolarHBondContact O-ND1 2.94Å
254	H	95.8	Very high	94.7	Very high	49 Å²	49	50.7 Å²	50.7	23%	0.227	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	152.2	173	-69.4	98.5	0	0	0	110.6	V73 L74 C247 C252 C268	V73-H254 HydrophobicContact CG1-CB 3.94Å; L74-H254 CarbonylContact O-C 3.46Å; L74-H254 WeakPolarHBondContact O-CA 3.45Å; C247-H254 PolarHBondContact N-O 2.65Å; C252-H254 PolarHBondContact SG-ND1 2.91Å; H254-C268 VanDerWaalsContact CB-SG 3.56Å
255	V	97.4	Very high	94.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.6	176.2	177.4	0	0	0	0	109.1	V73 L74 I79 V238 L244 K245 W246	V73-V255 WeakPolarHBondContact CA-O 3.39Å; L74-V255 PolarHBondContact N-O 3.32Å; L74-V255 PolarHBondContact O-N 2.88Å; I79-V255 HydrophobicContact CD1-CB 3.89Å; I79-V255 HydrophobicContact CD1-CG1 3.89Å; I79-V255 HydrophobicContact CD1-CG2 4.22Å; I79-V255 HydrophobicContact CG1-CB 3.82Å; I79-V255 HydrophobicContact CG1-CG1 4.35Å; I79-V255 HydrophobicContact CG1-CG2 3.77Å; V238-V255 HydrophobicContact CG1-CG1 4.14Å; V238-V255 HydrophobicContact CG1-CG2 4.39Å; V238-V255 HydrophobicContact CG2-CG1 4.39Å; V238-V255 HydrophobicContact CG2-CG2 3.97Å; L244-V255 HydrophobicContact CB-CG1 3.85Å; L244-V255 HydrophobicContact CD2-CG1 4.04Å; L244-V255 HydrophobicContact CG-CG1 4.42Å; K245-V255 CarbonylContact O-C 3.56Å; K245-V255 WeakPolarHBondContact O-CA 3.49Å; W246-V255 HydrophobicContact CD2-CG2 3.69Å; W246-V255 HydrophobicContact CE3-CG2 3.3Å; W246-V255 HydrophobicContact CH2-CG2 3.75Å; W246-V255 HydrophobicContact CZ2-CG2 4.13Å; W246-V255 HydrophobicContact CZ3-CG2 3.33Å
256	V	97.7	Very high	94.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.8	170.6	-177.2	0	0	0	0	108.6	F71 E72 V73 L244 K245 V258 V266 F274 F276	F71-V256 HydrophobicContact CB-CG1 3.95Å; F71-V256 HydrophobicContact CD2-CG1 3.98Å; F71-V256 HydrophobicContact CG-CG1 4.22Å; E72-V256 CarbonylContact O-C 3.58Å; E72-V256 WeakPolarHBondContact O-CA 3.28Å; V73-V256 HydrophobicContact CG2-CG2 4.41Å; L244-V256 WeakPolarHBondContact CA-O 3.43Å; K245-V256 PolarHBondContact N-O 2.94Å; K245-V256 PolarHBondContact O-N 3.35Å; V256-V258 HydrophobicContact CG1-CG1 4.26Å; V256-V266 HydrophobicContact CB-CG2 4.45Å; V256-V266 HydrophobicContact CG1-CB 3.94Å; V256-V266 HydrophobicContact CG1-CG1 4.01Å; V256-V266 HydrophobicContact CG1-CG2 4.09Å; V256-V266 HydrophobicContact CG2-CG2 4.21Å; V256-F274 HydrophobicContact CB-CZ 4.29Å; V256-F274 HydrophobicContact CG2-CE1 3.88Å; V256-F274 HydrophobicContact CG2-CZ 3.66Å; V256-F276 HydrophobicContact CB-CD2 4.49Å; V256-F276 HydrophobicContact CG1-CD2 4.26Å; V256-F276 HydrophobicContact CG1-CE2 4.45Å
257	K	97.3	Very high	94.6	Very high	82 Å²	82	53.5 Å²	53.5	36%	0.357	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.8	173.6	-178.9	178.9	177.6	-172.7	0	109.9	F71 E72 L74 L243 L244	F71-K257 CarbonylContact C-O 3.55Å; F71-K257 VanDerWaalsContact CA-O 3.24Å; F71-K257 WeakPolarHBondContact CA-O 3.18Å; F71-K257 WeakPolarHBondContact CB-O 3.46Å; E72-K257 HydrophobicContact CB-CB 4.44Å; E72-K257 PolarHBondContact N-O 3Å; E72-K257 PolarHBondContact O-N 3.32Å; L74-K257 HydrophobicContact CD1-CB 4.2Å; L74-K257 HydrophobicContact CD1-CD 4.13Å; L243-K257 VanDerWaalsContact O-CA 3.28Å; L243-K257 WeakPolarHBondContact O-CA 3.4Å; L244-K257 HydrophobicContact CD2-CB 3.62Å; L244-K257 HydrophobicContact CD2-CD 4.16Å; L244-K257 HydrophobicContact CD2-CG 3.7Å
258	V	96.8	Very high	94.6	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.03	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	164.3	179.3	-57.8	0	0	0	0	111.1	Y69 F71 L243 V256 Y260 V266 F276	Y69-V258 HydrophobicContact CE1-CG1 4.17Å; Y69-V258 WeakPolarHBondContact OH-CG1 3.48Å; F71-V258 HydrophobicContact CB-CG1 3.92Å; L243-V258 HydrophobicContact CD2-CG2 4.27Å; L243-V258 PolarHBondContact O-N 3.49Å; V256-V258 HydrophobicContact CG1-CG1 4.26Å; V258-Y260 VanDerWaalsContact CG2-O 3.23Å; V258-Y260 WeakPolarHBondContact CG2-O 3.49Å; V258-V266 HydrophobicContact CG1-CG1 4.44Å; V258-F276 HydrophobicContact CB-CE1 4.44Å; V258-F276 HydrophobicContact CB-CE2 4.37Å; V258-F276 HydrophobicContact CB-CZ 4.27Å; V258-F276 HydrophobicContact CG1-CD1 4.2Å; V258-F276 HydrophobicContact CG1-CD2 3.56Å; V258-F276 HydrophobicContact CG1-CE1 4.22Å; V258-F276 HydrophobicContact CG1-CE2 3.56Å; V258-F276 HydrophobicContact CG1-CG 3.9Å; V258-F276 HydrophobicContact CG1-CZ 3.93Å; V258-F276 HydrophobicContact CG2-CD1 3.97Å; V258-F276 HydrophobicContact CG2-CD2 4.46Å; V258-F276 HydrophobicContact CG2-CE1 3.37Å; V258-F276 HydrophobicContact CG2-CE2 3.91Å; V258-F276 HydrophobicContact CG2-CG 4.49Å; V258-F276 HydrophobicContact CG2-CZ 3.35Å
259	Q	95.6	Very high	94.5	Very high	124 Å²	124	57.8 Å²	57.8	58%	0.579	29%	0.293	S	S	*	.	S	Bend	trans	-77.1	-39.4	175.1	-62.4	-171.2	1.7	0	0	112.2	L243	L243-Q259 WeakPolarHBondContact CD2-O 3.34Å
260	Y	94.6	Very high	94.5	Very high	90 Å²	90	60 Å²	60	35%	0.353	31%	0.307	S	S	.	.	S	Bend	trans	-143.5	146.6	174.3	55	-87.1	0	0	0	109	Y69 V258 D262	Y69-Y260 HydrophobicContact CD2-CE2 4.05Å; Y69-Y260 AromaticContact CD2-CZ 3.87Å; Y69-Y260 HydrophobicContact CE2-CD2 4.28Å; Y69-Y260 AromaticContact CE2-CE2 3.88Å; Y69-Y260 HydrophobicContact CE2-CE2 3.88Å; Y69-Y260 PolarHBondContact OH-O 3.45Å; V258-Y260 VanDerWaalsContact CG2-O 3.23Å; V258-Y260 WeakPolarHBondContact CG2-O 3.49Å; Y260-D262 HydrophobicContact CD2-CB 4.07Å; Y260-D262 HydrophobicContact CE2-CB 3.9Å; Y260-D262 PolarHBondContact O-N 3.45Å
261	P	94.9	Very high	94.6	Very high	48 Å²	48	56.8 Å²	56.8	31%	0.312	29%	0.294	S	S	.	.			trans	-70.3	122.8	177.3	-13.4	29.2	0	0	0	110.2	R242 L243 F276	R242-P261 HydrophobicContact CB-CG 4.03Å; R242-P261 HydrophobicContact CG-CG 3.96Å; R242-P261 WeakPolarHBondContact O-CG 3.32Å; L243-P261 HydrophobicContact CD2-CG 4.09Å; P261-F276 HydrophobicContact CB-CE1 4.11Å
262	D	94.3	Very high	94.9	Very high	60 Å²	60	54 Å²	54	32%	0.321	27%	0.272	S	S	.	.			trans	-140.6	160.4	172	-163.7	8.7	0	0	0	111.4	Y69 Y260 K264 N277	Y69-D262 HydrophobicContact CD2-CB 4.49Å; Y69-D262 HydrophobicContact CE2-CB 3.72Å; Y69-D262 PolarHBondContact OH-N 2.94Å; Y260-D262 HydrophobicContact CD2-CB 4.07Å; Y260-D262 HydrophobicContact CE2-CB 3.9Å; Y260-D262 PolarHBondContact O-N 3.45Å; D262-K264 HydrophobicContact CB-CG 4.12Å; D262-K264 PolarHBondContact O-N 2.93Å; D262-K264 VanDerWaalsContact OD2-CG 3.27Å; D262-K264 WeakPolarHBondContact OD2-CG 3.5Å; D262-N277 PolarHBondContact O-N 2.69Å
263	A	94.5	Very high	94.9	Very high	38 Å²	38	56.1 Å²	56.1	31%	0.314	28%	0.28	S	S	.	.	S	Bend	trans	-81.5	48	176.5	0	0	0	0	0	112.1	N277 W282	A263-N277 HydrophobicContact CB-CB 3.9Å; A263-W282 WeakPolarHBondContact O-CZ3 3.38Å
264	K	94.8	Very high	95.1	Very high	81 Å²	81	55 Å²	55	35%	0.352	28%	0.275	S	S	.	.			trans	-103.5	157.1	-179.6	-69.9	-76.3	-174.1	170.3	0	111.6	Y69 D262 F276	Y69-K264 HydrophobicContact CD1-CB 3.47Å; Y69-K264 VanDerWaalsContact CD1-CB 3.47Å; Y69-K264 HydrophobicContact CD1-CG 4.22Å; Y69-K264 HydrophobicContact CD2-CB 4.3Å; Y69-K264 HydrophobicContact CD2-CG 4.24Å; Y69-K264 HydrophobicContact CE1-CB 3.57Å; Y69-K264 HydrophobicContact CE1-CG 4.49Å; Y69-K264 HydrophobicContact CE2-CB 4.4Å; Y69-K264 HydrophobicContact CG-CB 3.85Å; Y69-K264 HydrophobicContact CG-CG 4.07Å; D262-K264 HydrophobicContact CB-CG 4.12Å; D262-K264 PolarHBondContact O-N 2.93Å; D262-K264 VanDerWaalsContact OD2-CG 3.27Å; D262-K264 WeakPolarHBondContact OD2-CG 3.5Å; K264-F276 PolarHBondContact O-N 2.97Å
265	P	95.8	Very high	95.2	Very high	45 Å²	45	52.7 Å²	52.7	29%	0.292	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	134.7	176.4	27	-29.2	0	0	0	110.3	Q273 W282	P265-Q273 HydrophobicContact CB-CG 4.16Å; P265-W282 HydrophobicContact CB-CD2 3.59Å; P265-W282 HydrophobicContact CB-CE3 3.71Å; P265-W282 HydrophobicContact CB-CG 3.94Å; P265-W282 HydrophobicContact CB-CZ2 4.47Å; P265-W282 HydrophobicContact CB-CZ3 4.23Å; P265-W282 HydrophobicContact CG-CD2 4.14Å; P265-W282 HydrophobicContact CG-CE3 4.28Å; P265-W282 HydrophobicContact CG-CH2 4.29Å; P265-W282 HydrophobicContact CG-CZ2 4.11Å; P265-W282 HydrophobicContact CG-CZ3 4.36Å
266	V	96.5	Very high	95.2	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	146.6	168.3	-65	0	0	0	0	109.8	Y69 F71 V256 V258 Q273 F274 F276	Y69-V266 HydrophobicContact CD1-CG1 4.37Å; Y69-V266 HydrophobicContact CE1-CG1 3.74Å; F71-V266 HydrophobicContact CB-CG1 4.26Å; F71-V266 HydrophobicContact CD1-CB 4.35Å; F71-V266 HydrophobicContact CD1-CG1 3.87Å; F71-V266 HydrophobicContact CD2-CB 4.39Å; F71-V266 HydrophobicContact CD2-CG1 4.48Å; F71-V266 HydrophobicContact CE1-CB 4.45Å; F71-V266 HydrophobicContact CE1-CG1 4.36Å; F71-V266 HydrophobicContact CE2-CB 4.49Å; F71-V266 HydrophobicContact CG-CB 4.33Å; F71-V266 HydrophobicContact CG-CG1 3.95Å; V256-V266 HydrophobicContact CB-CG2 4.45Å; V256-V266 HydrophobicContact CG1-CB 3.94Å; V256-V266 HydrophobicContact CG1-CG1 4.01Å; V256-V266 HydrophobicContact CG1-CG2 4.09Å; V256-V266 HydrophobicContact CG2-CG2 4.21Å; V258-V266 HydrophobicContact CG1-CG1 4.44Å; V266-Q273 VanDerWaalsContact O-CA 3.3Å; V266-Q273 WeakPolarHBondContact O-CA 3.5Å; V266-F274 HydrophobicContact CG2-CD1 4.01Å; V266-F274 HydrophobicContact CG2-CD2 4.04Å; V266-F274 HydrophobicContact CG2-CE1 3.72Å; V266-F274 HydrophobicContact CG2-CE2 3.75Å; V266-F274 HydrophobicContact CG2-CG 4.17Å; V266-F274 HydrophobicContact CG2-CZ 3.58Å; V266-F274 WeakPolarHBondContact CG2-O 3.17Å; V266-F274 PolarHBondContact N-O 3.27Å; V266-F274 PolarHBondContact O-N 3.16Å; V266-F276 HydrophobicContact CG1-CB 3.99Å; V266-F276 HydrophobicContact CG1-CD2 4.39Å; V266-F276 HydrophobicContact CG2-CB 4.18Å; V266-F276 HydrophobicContact CG2-CD2 4.43Å
267	R	95.8	Very high	95.1	Very high	122 Å²	122	56.5 Å²	56.5	46%	0.46	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	117.3	-179.3	-175.9	174.2	-65.9	-85.4	5.3	110.8	F71 G271	F71-R267 WeakPolarHBondContact CE2-O 3.45Å; F71-R267 HydrophobicContact CZ-CB 4.28Å; R267-G271 PolarHBondContact NH1-O 3.48Å; R267-G271 VanDerWaalsContact NH1-O 3.12Å
268	C	96.1	Very high	95	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.02	28%	0.275	C	S	.	.			trans	-74.1	154.1	173	-169.1	0	0	0	0	111	C247 H254 C270 G271 R272	C247-C268 HydrophobicContact CB-CB 4.23Å; C247-C268 VanDerWaalsContact SG-CB 3.57Å; H254-C268 VanDerWaalsContact CB-SG 3.56Å; C268-C270 PolarHBondContact O-N 2.95Å; C268-C270 VanDerWaalsContact O-N 3.13Å; C268-C270 VanDerWaalsContact SG-SG 3.61Å; C268-G271 PolarHBondContact O-N 3.26Å; C268-R272 PolarHBondContact N-O 3.23Å
269	K	94.1	Very high	94.9	Very high	146 Å²	146	54.4 Å²	54.4	64%	0.635	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.5	174	-73.4	172.9	176	160.9	0	114.1	V73 G271	V73-K269 HydrophobicContact CB-CD 4.1Å; V73-K269 HydrophobicContact CB-CG 4.02Å; V73-K269 HydrophobicContact CG1-CB 4.3Å; V73-K269 HydrophobicContact CG1-CD 4.04Å; V73-K269 HydrophobicContact CG1-CG 3.95Å; V73-K269 HydrophobicContact CG2-CG 4.45Å; V73-K269 PolarHBondContact O-NZ 3.44Å; K269-G271 PolarHBondContact O-N 2.87Å
270	C	92.4	Very high	94.9	Very high	65 Å²	65	52.7 Å²	52.7	44%	0.439	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-1.7	172.5	68.8	0	0	0	0	113.5	C268	C268-C270 PolarHBondContact O-N 2.95Å; C268-C270 VanDerWaalsContact O-N 3.13Å; C268-C270 VanDerWaalsContact SG-SG 3.61Å
271	G	90.2	Very high	95	Very high	42 Å²	42	51.1 Å²	51.1	43%	0.433	27%	0.272	S	S	.	.	S	Bend	trans	94.5	-17.2	-179	0	0	0	0	0	114.6	R267 C268 K269 Q273	R267-G271 PolarHBondContact NH1-O 3.48Å; R267-G271 VanDerWaalsContact NH1-O 3.12Å; C268-G271 PolarHBondContact O-N 3.26Å; K269-G271 PolarHBondContact O-N 2.87Å; G271-Q273 PolarHBondContact O-N 3Å
272	R	92.1	Very high	95	Very high	92 Å²	92	51.2 Å²	51.2	35%	0.347	27%	0.266	S	S	.	.			trans	-64.6	126.1	178.6	-171.4	63.2	167.5	-129.9	-7.1	110.9	P248 A249 C268 N281	P248-R272 HydrophobicContact CG-CG 4.17Å; A249-R272 HydrophobicContact CB-CB 4.03Å; A249-R272 HydrophobicContact CB-CG 4.14Å; C268-R272 PolarHBondContact N-O 3.23Å; R272-N281 PolarHBondContact NE-OD1 2.89Å; R272-N281 PolarHBondContact NH2-OD1 3.38Å
273	Q	94.2	Very high	95.1	Very high	62 Å²	62	48.6 Å²	48.6	29%	0.29	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	133.3	169.7	-173.9	177.9	-64.1	0	0	109.6	P265 V266 G271 W282	P265-Q273 HydrophobicContact CB-CG 4.16Å; V266-Q273 VanDerWaalsContact O-CA 3.3Å; V266-Q273 WeakPolarHBondContact O-CA 3.5Å; G271-Q273 PolarHBondContact O-N 3Å; Q273-W282 HydrophobicContact CG-CB 4.08Å; Q273-W282 VanDerWaalsContact NE2-CD1 3.26Å
274	F	96.8	Very high	95.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	162.3	-177.8	67.3	-83.2	0	0	0	111.1	K245 C247 P248 V256 V266 E280	K245-F274 HydrophobicContact CB-CE2 4.43Å; C247-F274 HydrophobicContact CB-CE1 4.47Å; P248-F274 VanDerWaalsContact CD-CD1 3.41Å; P248-F274 HydrophobicContact CG-CB 3.74Å; P248-F274 HydrophobicContact CG-CD1 3.98Å; P248-F274 HydrophobicContact CG-CD2 4.19Å; P248-F274 HydrophobicContact CG-CG 3.73Å; V256-F274 HydrophobicContact CB-CZ 4.29Å; V256-F274 HydrophobicContact CG2-CE1 3.88Å; V256-F274 HydrophobicContact CG2-CZ 3.66Å; V266-F274 HydrophobicContact CG2-CD1 4.01Å; V266-F274 HydrophobicContact CG2-CD2 4.04Å; V266-F274 HydrophobicContact CG2-CE1 3.72Å; V266-F274 HydrophobicContact CG2-CE2 3.75Å; V266-F274 HydrophobicContact CG2-CG 4.17Å; V266-F274 HydrophobicContact CG2-CZ 3.58Å; V266-F274 WeakPolarHBondContact CG2-O 3.17Å; V266-F274 PolarHBondContact N-O 3.27Å; V266-F274 PolarHBondContact O-N 3.16Å; F274-E280 CarbonylContact C-O 3.6Å; F274-E280 WeakPolarHBondContact CA-O 3.15Å; F274-E280 VanDerWaalsContact CB-O 3.29Å; F274-E280 WeakPolarHBondContact CB-O 3.3Å
275	C	97.5	Very high	95.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	122.9	173.8	176.2	0	0	0	0	109.6	N277 C278 G279 E280 W282	C275-N277 VanDerWaalsContact C-N 3.31Å; C275-N277 PolarHBondContact O-N 3.29Å; C275-C278 WeakPolarHBondContact CB-SG 3.4Å; C275-C278 VanDerWaalsContact SG-SG 3.68Å; C275-G279 WeakPolarHBondContact O-CA 3.37Å; C275-G279 PolarHBondContact O-N 3.08Å; C275-E280 PolarHBondContact N-O 2.88Å; C275-W282 HydrophobicContact CB-CE3 4.24Å
276	F	97.3	Very high	95.3	Very high	3 Å²	3	42.1 Å²	42.1	1%	0.013	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-41.6	-179.4	-176.6	-94.8	0	0	0	112	K245 V256 V258 P261 K264 V266	K245-F276 HydrophobicContact CB-CD2 4.09Å; K245-F276 HydrophobicContact CB-CE2 3.69Å; K245-F276 HydrophobicContact CB-CZ 4.26Å; K245-F276 WeakPolarHBondContact CD-O 3.36Å; K245-F276 WeakPolarHBondContact CE-O 3.37Å; K245-F276 HydrophobicContact CG-CD2 4.34Å; K245-F276 HydrophobicContact CG-CE2 3.94Å; K245-F276 HydrophobicContact CG-CZ 4.06Å; K245-F276 PolarHBondContact NZ-O 3.27Å; V256-F276 HydrophobicContact CB-CD2 4.49Å; V256-F276 HydrophobicContact CG1-CD2 4.26Å; V256-F276 HydrophobicContact CG1-CE2 4.45Å; V258-F276 HydrophobicContact CB-CE1 4.44Å; V258-F276 HydrophobicContact CB-CE2 4.37Å; V258-F276 HydrophobicContact CB-CZ 4.27Å; V258-F276 HydrophobicContact CG1-CD1 4.2Å; V258-F276 HydrophobicContact CG1-CD2 3.56Å; V258-F276 HydrophobicContact CG1-CE1 4.22Å; V258-F276 HydrophobicContact CG1-CE2 3.56Å; V258-F276 HydrophobicContact CG1-CG 3.9Å; V258-F276 HydrophobicContact CG1-CZ 3.93Å; V258-F276 HydrophobicContact CG2-CD1 3.97Å; V258-F276 HydrophobicContact CG2-CD2 4.46Å; V258-F276 HydrophobicContact CG2-CE1 3.37Å; V258-F276 HydrophobicContact CG2-CE2 3.91Å; V258-F276 HydrophobicContact CG2-CG 4.49Å; V258-F276 HydrophobicContact CG2-CZ 3.35Å; P261-F276 HydrophobicContact CB-CE1 4.11Å; K264-F276 PolarHBondContact O-N 2.97Å; V266-F276 HydrophobicContact CG1-CB 3.99Å; V266-F276 HydrophobicContact CG1-CD2 4.39Å; V266-F276 HydrophobicContact CG2-CB 4.18Å; V266-F276 HydrophobicContact CG2-CD2 4.43Å
277	N	95.8	Very high	95.3	Very high	78 Å²	78	46.5 Å²	46.5	42%	0.417	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-55.9	-178.3	-176.8	42.9	0	0	0	113.6	K245 D262 A263 C275	K245-N277 WeakPolarHBondContact CE-O 3.33Å; K245-N277 PolarHBondContact NZ-O 2.98Å; D262-N277 PolarHBondContact O-N 2.69Å; A263-N277 HydrophobicContact CB-CB 3.9Å; C275-N277 VanDerWaalsContact C-N 3.31Å; C275-N277 PolarHBondContact O-N 3.29Å
278	C	95.5	Very high	95.4	Very high	25 Å²	25	41.3 Å²	41.3	17%	0.169	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-23.2	-174.6	70.4	0	0	0	0	114	K245 C275 E280 H283 C288	K245-C278 VanDerWaalsContact NZ-C 3.28Å; K245-C278 PolarHBondContact NZ-O 3.07Å; C275-C278 WeakPolarHBondContact CB-SG 3.4Å; C275-C278 VanDerWaalsContact SG-SG 3.68Å; C278-E280 VanDerWaalsContact C-N 3.28Å; C278-E280 PolarHBondContact SG-N 2.93Å; C278-E280 VanDerWaalsContact SG-N 3.4Å; C278-H283 PolarHBondContact SG-NE2 3.44Å; C278-C288 HydrophobicContact CB-CB 3.91Å
279	G	95.1	Very high	95.4	Very high	17 Å²	17	46 Å²	46	18%	0.175	24%	0.235	C	C	.	.			trans	85.7	-9	-176.4	0	0	0	0	0	114.7	C275	C275-G279 WeakPolarHBondContact O-CA 3.37Å; C275-G279 PolarHBondContact O-N 3.08Å
280	E	95.6	Very high	95.5	Very high	89 Å²	89	39.5 Å²	39.5	42%	0.416	21%	0.207	S	C	.	.	S	Bend	trans	-74.9	168	175.8	-62.7	-57	151.4	0	0	112.1	F274 C275 C278 L291 I295	F274-E280 CarbonylContact C-O 3.6Å; F274-E280 WeakPolarHBondContact CA-O 3.15Å; F274-E280 VanDerWaalsContact CB-O 3.29Å; F274-E280 WeakPolarHBondContact CB-O 3.3Å; C275-E280 PolarHBondContact N-O 2.88Å; C278-E280 VanDerWaalsContact C-N 3.28Å; C278-E280 PolarHBondContact SG-N 2.93Å; C278-E280 VanDerWaalsContact SG-N 3.4Å; E280-L291 HydrophobicContact CB-CD2 3.88Å; E280-L291 HydrophobicContact CG-CD2 4.13Å; E280-I295 HydrophobicContact CG-CD1 3.99Å
281	N	94.9	Very high	95.7	Very high	57 Å²	57	36.6 Å²	36.6	31%	0.305	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-50.3	147.2	169.8	-68.5	-28.6	0	0	0	111.2	R272 H283 F445	R272-N281 PolarHBondContact NE-OD1 2.89Å; R272-N281 PolarHBondContact NH2-OD1 3.38Å; N281-H283 WeakPolarHBondContact O-CB 3.24Å; N281-H283 PolarHBondContact O-CD2 2.83Å; N281-H283 VanDerWaalsContact O-CD2 3.24Å; N281-H283 PolarHBondContact O-N 3.13Å; N281-H283 VanDerWaalsContact O-N 3.11Å; N281-F445 HydrophobicContact CB-CZ 4.34Å
282	W	96.3	Very high	95.9	Very high	49 Å²	49	42.1 Å²	42.1	19%	0.186	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-57.1	121.6	178.3	176.4	-116.3	0	0	0	110.6	A263 P265 Q273 C275 D284 F445	A263-W282 WeakPolarHBondContact O-CZ3 3.38Å; P265-W282 HydrophobicContact CB-CD2 3.59Å; P265-W282 HydrophobicContact CB-CE3 3.71Å; P265-W282 HydrophobicContact CB-CG 3.94Å; P265-W282 HydrophobicContact CB-CZ2 4.47Å; P265-W282 HydrophobicContact CB-CZ3 4.23Å; P265-W282 HydrophobicContact CG-CD2 4.14Å; P265-W282 HydrophobicContact CG-CE3 4.28Å; P265-W282 HydrophobicContact CG-CH2 4.29Å; P265-W282 HydrophobicContact CG-CZ2 4.11Å; P265-W282 HydrophobicContact CG-CZ3 4.36Å; Q273-W282 HydrophobicContact CG-CB 4.08Å; Q273-W282 VanDerWaalsContact NE2-CD1 3.26Å; C275-W282 HydrophobicContact CB-CE3 4.24Å; W282-D284 HydrophobicContact CZ2-CB 3.76Å; W282-F445 WeakPolarHBondContact O-CE2 3.24Å
283	H	96.3	Very high	96	Very high	5 Å²	5	41.3 Å²	41.3	2%	0.023	19%	0.193	C	C	.	.			trans	-124.6	38.6	-160.1	57.4	62.7	0	0	0	113.6	C278 N281 V286 C288 L291 F445	C278-H283 PolarHBondContact SG-NE2 3.44Å; N281-H283 WeakPolarHBondContact O-CB 3.24Å; N281-H283 PolarHBondContact O-CD2 2.83Å; N281-H283 VanDerWaalsContact O-CD2 3.24Å; N281-H283 PolarHBondContact O-N 3.13Å; N281-H283 VanDerWaalsContact O-N 3.11Å; H283-V286 HydrophobicContact CB-CG1 4.06Å; H283-V286 PolarHBondContact CE1-O 2.89Å; H283-V286 VanDerWaalsContact CE1-O 3.29Å; H283-V286 PolarHBondContact ND1-O 3.34Å; H283-V286 VanDerWaalsContact O-CG1 3.25Å; H283-V286 WeakPolarHBondContact O-CG1 3.26Å; H283-V286 PolarHBondContact O-N 3.36Å; H283-V286 VanDerWaalsContact O-O 3.12Å; H283-C288 PolarHBondContact CE1-SG 3.28Å; H283-C288 PolarHBondContact NE2-SG 3.41Å; H283-C288 VanDerWaalsContact NE2-SG 3.35Å; H283-L291 HydrophobicContact CB-CD2 3.64Å; H283-L291 WeakPolarHBondContact CD2-CD2 3.44Å; H283-L291 VanDerWaalsContact CG-CD2 3.5Å; H283-F445 VanDerWaalsContact CA-CD2 3.4Å; H283-F445 HydrophobicContact CB-CD1 3.67Å; H283-F445 HydrophobicContact CB-CD2 3.82Å; H283-F445 HydrophobicContact CB-CE1 3.58Å; H283-F445 HydrophobicContact CB-CE2 3.74Å; H283-F445 HydrophobicContact CB-CG 3.78Å; H283-F445 HydrophobicContact CB-CZ 3.6Å
284	D	95.8	Very high	95.9	Very high	21 Å²	21	38.3 Å²	38.3	11%	0.112	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	126.9	169.1	-143.3	-8.3	0	0	0	109.2	W282 L511 H515	W282-D284 HydrophobicContact CZ2-CB 3.76Å; D284-L511 HydrophobicContact CB-CD2 3.98Å; D284-H515 IonicContact OD1-CD2 2.75Å; D284-H515 IonicContact OD1-CE1 3.44Å; D284-H515 IonicContact OD1-NE2 3.19Å; D284-H515 PolarHBondContact OD1-NE2 2.83Å; D284-H515 IonicContact OD2-CE1 2.86Å; D284-H515 IonicContact OD2-NE2 3.46Å
285	P	96.3	Very high	95.7	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.013	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	cis	-100.5	1.6	15.8	38.6	-37	0	0	0	117.6	T446 F449 L510 L511 V514 Y518	P285-T446 HydrophobicContact CG-CG2 3.85Å; P285-F449 HydrophobicContact CG-CB 4.24Å; P285-F449 HydrophobicContact CG-CG 4.4Å; P285-L510 HydrophobicContact CG-CD2 4.35Å; P285-L511 HydrophobicContact CB-CD2 3.87Å; P285-L511 HydrophobicContact CG-CD2 4.44Å; P285-V514 HydrophobicContact CB-CB 4.01Å; P285-V514 HydrophobicContact CB-CG1 3.78Å; P285-V514 HydrophobicContact CB-CG2 4.09Å; P285-V514 HydrophobicContact CG-CG2 4.49Å; P285-Y518 PolarHBondContact O-OH 3.23Å
286	V	96.9	Very high	95.3	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.03	22%	0.217	C	C	.	.	S	Bend	trans	-80.3	138.7	-171	69	0	0	0	0	112.6	H283 W290 L291 F445 V448 F449	H283-V286 HydrophobicContact CB-CG1 4.06Å; H283-V286 PolarHBondContact CE1-O 2.89Å; H283-V286 VanDerWaalsContact CE1-O 3.29Å; H283-V286 PolarHBondContact ND1-O 3.34Å; H283-V286 VanDerWaalsContact O-CG1 3.25Å; H283-V286 WeakPolarHBondContact O-CG1 3.26Å; H283-V286 PolarHBondContact O-N 3.36Å; H283-V286 VanDerWaalsContact O-O 3.12Å; V286-W290 HydrophobicContact CG2-CB 3.6Å; V286-L291 HydrophobicContact CG1-CB 4.08Å; V286-F445 HydrophobicContact CG1-CB 4.06Å; V286-F445 HydrophobicContact CG1-CD1 4.02Å; V286-F445 HydrophobicContact CG1-CG 4.33Å; V286-V448 HydrophobicContact CG1-CB 4.46Å; V286-V448 HydrophobicContact CG1-CG1 4.49Å; V286-V448 HydrophobicContact CG2-CB 4.44Å; V286-V448 HydrophobicContact CG2-CG1 4.03Å; V286-F449 HydrophobicContact CB-CB 4.11Å; V286-F449 HydrophobicContact CG2-CB 4.38Å
287	K	96.9	Very high	94.8	Very high	94 Å²	94	50.1 Å²	50.1	41%	0.409	23%	0.232	S	C	.	.			trans	-69.1	147.9	172.2	-63.5	-172.2	176.7	177.4	0	111.5	K289 W290 L291 Y518	K287-K289 PolarHBondContact O-N 3.45Å; K287-K289 VanDerWaalsContact O-N 3.07Å; K287-W290 PolarHBondContact O-N 3.45Å; K287-L291 PolarHBondContact O-N 3.21Å; K287-Y518 HydrophobicContact CD-CE1 4.19Å; K287-Y518 HydrophobicContact CG-CE1 4.18Å; K287-Y518 HydrophobicContact CG-CE2 4.46Å
288	C	97.3	Very high	94.2	Very high	12 Å²	12	47.5 Å²	47.5	8%	0.081	22%	0.22	C	C	.	.	H	α-helix	trans	-51.9	-37.3	-177.9	-58.1	0	0	0	0	114.2	C278 H283 W290 L291 R292	C278-C288 HydrophobicContact CB-CB 3.91Å; H283-C288 PolarHBondContact CE1-SG 3.28Å; H283-C288 PolarHBondContact NE2-SG 3.41Å; H283-C288 VanDerWaalsContact NE2-SG 3.35Å; C288-W290 VanDerWaalsContact C-N 3.34Å; C288-W290 PolarHBondContact O-N 3.03Å; C288-L291 PolarHBondContact O-N 3.17Å; C288-R292 WeakPolarHBondContact O-CB 3.26Å; C288-R292 PolarHBondContact O-N 2.89Å
289	K	96.2	Very high	93.4	Very high	102 Å²	102	52.1 Å²	52.1	44%	0.443	24%	0.243	S	C	.	.	H	α-helix	trans	-56.8	-47.7	178.7	176.8	-175.5	169.6	-170.7	0	111.2	K287 K293 E527	K287-K289 PolarHBondContact O-N 3.45Å; K287-K289 VanDerWaalsContact O-N 3.07Å; K289-K293 PolarHBondContact O-N 2.64Å; K289-E527 IonicContact NZ-OE1 3.14Å; K289-E527 PolarHBondContact NZ-OE1 3.02Å
290	W	96.1	Very high	92.5	Very high	10 Å²	10	56.8 Å²	56.8	4%	0.038	26%	0.264	C	S	.	.	H	α-helix	trans	-74.4	-38.5	-176.1	-59.7	124.6	0	0	0	111.8	V286 K287 C288 R292 K293 W294 Y452 Y525 E527	V286-W290 HydrophobicContact CG2-CB 3.6Å; K287-W290 PolarHBondContact O-N 3.45Å; C288-W290 VanDerWaalsContact C-N 3.34Å; C288-W290 PolarHBondContact O-N 3.03Å; W290-R292 VanDerWaalsContact C-N 3.34Å; W290-R292 PolarHBondContact O-N 3.28Å; W290-K293 HydrophobicContact CE3-CD 4.03Å; W290-K293 HydrophobicContact CZ3-CD 4.04Å; W290-K293 PolarHBondContact O-N 3.23Å; W290-W294 WeakPolarHBondContact O-CB 3.24Å; W290-W294 PolarHBondContact O-N 2.76Å; W290-Y452 HydrophobicContact CB-CD2 3.83Å; W290-Y452 HydrophobicContact CB-CE2 4.17Å; W290-Y452 HydrophobicContact CD2-CD2 4.39Å; W290-Y452 HydrophobicContact CD2-CG 4.26Å; W290-Y452 AromaticContact CE3-CD1 3.78Å; W290-Y452 HydrophobicContact CE3-CD1 3.78Å; W290-Y452 HydrophobicContact CE3-CD2 4.01Å; W290-Y452 HydrophobicContact CE3-CE1 4.22Å; W290-Y452 HydrophobicContact CE3-CE2 4.4Å; W290-Y452 AromaticContact CE3-CG 3.68Å; W290-Y452 HydrophobicContact CE3-CG 3.68Å; W290-Y452 HydrophobicContact CG-CD2 4.34Å; W290-Y452 HydrophobicContact CZ3-CD1 4.01Å; W290-Y452 HydrophobicContact CZ3-CG 4.26Å; W290-Y452 WeakPolarHBondContact O-CE2 3.37Å; W290-Y525 AromaticContact CD1-CE1 3.81Å; W290-Y525 AromaticContact CD1-CZ 3.95Å; W290-Y525 HydrophobicContact CD2-CD1 4.28Å; W290-Y525 HydrophobicContact CD2-CG 4.49Å; W290-Y525 AromaticContact CE2-CD1 3.69Å; W290-Y525 AromaticContact CE2-CD2 3.84Å; W290-Y525 AromaticContact CE2-CG 3.55Å; W290-Y525 VanDerWaalsContact CH2-CB 3.47Å; W290-Y525 HydrophobicContact CH2-CG 4Å; W290-Y525 AromaticContact CZ2-CD1 3.91Å; W290-Y525 HydrophobicContact CZ2-CD1 3.91Å; W290-Y525 AromaticContact CZ2-CD2 3.56Å; W290-Y525 HydrophobicContact CZ2-CD2 3.56Å; W290-Y525 HydrophobicContact CZ2-CE2 4.3Å; W290-Y525 AromaticContact CZ2-CG 3.3Å; W290-Y525 HydrophobicContact CZ2-CG 3.3Å; W290-Y525 AromaticContact NE1-CD1 3.59Å; W290-Y525 AromaticContact NE1-CD2 3.66Å; W290-Y525 AromaticContact NE1-CE1 3.46Å; W290-Y525 AromaticContact NE1-CE2 3.51Å; W290-Y525 AromaticContact NE1-CG 3.67Å; W290-Y525 AromaticContact NE1-CZ 3.39Å; W290-E527 HydrophobicContact CH2-CG 3.69Å; W290-E527 HydrophobicContact CZ3-CG 4.26Å
291	L	96.4	Very high	91.2	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-60.7	-43.7	173.3	179.8	61.5	0	0	0	111.8	E280 H283 V286 K287 C288 K293 W294 I295 F445	E280-L291 HydrophobicContact CB-CD2 3.88Å; E280-L291 HydrophobicContact CG-CD2 4.13Å; H283-L291 HydrophobicContact CB-CD2 3.64Å; H283-L291 WeakPolarHBondContact CD2-CD2 3.44Å; H283-L291 VanDerWaalsContact CG-CD2 3.5Å; V286-L291 HydrophobicContact CG1-CB 4.08Å; K287-L291 PolarHBondContact O-N 3.21Å; C288-L291 PolarHBondContact O-N 3.17Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 3.29Å; L291-W294 WeakPolarHBondContact O-CB 3.4Å; L291-W294 PolarHBondContact O-N 3.48Å; L291-W294 VanDerWaalsContact O-N 3.14Å; L291-I295 HydrophobicContact CD1-CD1 4.01Å; L291-I295 HydrophobicContact CD1-CG1 4.07Å; L291-I295 HydrophobicContact CD2-CD1 4.36Å; L291-I295 HydrophobicContact CG-CD1 3.82Å; L291-I295 HydrophobicContact CG-CG1 4.32Å; L291-I295 WeakPolarHBondContact O-CG1 3.12Å; L291-I295 PolarHBondContact O-N 3.43Å; L291-F445 HydrophobicContact CD1-CD1 4.02Å; L291-F445 HydrophobicContact CD1-CE1 3.69Å; L291-F445 HydrophobicContact CD2-CE1 4.01Å
292	R	95.4	Very high	89.4	Confident	159 Å²	159	57.8 Å²	57.8	60%	0.6	28%	0.28	S	S	*	.	H	α-helix	trans	-61.1	-41.8	177.8	-171.9	-174.6	-61.8	140.8	-0.2	112	C288 W290 W294 K296	C288-R292 WeakPolarHBondContact O-CB 3.26Å; C288-R292 PolarHBondContact O-N 2.89Å; W290-R292 VanDerWaalsContact C-N 3.34Å; W290-R292 PolarHBondContact O-N 3.28Å; R292-W294 VanDerWaalsContact C-N 3.33Å; R292-K296 PolarHBondContact O-N 3.1Å
293	K	93.7	Very high	87.5	Confident	74 Å²	74	61.4 Å²	61.4	32%	0.322	30%	0.298	S	S	.	.	H	α-helix	trans	-62.4	-41.5	174.4	-77.1	-169.5	170.3	-166.5	0	111.5	K289 W290 L291 K297 Y452	K289-K293 PolarHBondContact O-N 2.64Å; W290-K293 HydrophobicContact CE3-CD 4.03Å; W290-K293 HydrophobicContact CZ3-CD 4.04Å; W290-K293 PolarHBondContact O-N 3.23Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 3.29Å; K293-K297 WeakPolarHBondContact O-CB 3.48Å; K293-K297 PolarHBondContact O-N 2.86Å; K293-Y452 WeakPolarHBondContact CB-OH 3.38Å
294	W	92.9	Very high	85.2	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-62.9	-50.9	178.9	-178.9	-100.1	0	0	0	112.4	W290 L291 R292 K296 K297 C298 Y385 C389 Y392 V448 F451 Y452	W290-W294 WeakPolarHBondContact O-CB 3.24Å; W290-W294 PolarHBondContact O-N 2.76Å; L291-W294 WeakPolarHBondContact O-CB 3.4Å; L291-W294 PolarHBondContact O-N 3.48Å; L291-W294 VanDerWaalsContact O-N 3.14Å; R292-W294 VanDerWaalsContact C-N 3.33Å; W294-K296 VanDerWaalsContact C-N 3.32Å; W294-K296 PolarHBondContact O-N 3.37Å; W294-K297 WeakPolarHBondContact O-CB 3.25Å; W294-K297 PolarHBondContact O-N 3.24Å; W294-K297 VanDerWaalsContact O-N 3.09Å; W294-C298 PolarHBondContact O-N 3.27Å; W294-C298 PolarHBondContact O-SG 2.84Å; W294-C298 VanDerWaalsContact O-SG 3.38Å; W294-Y385 HydrophobicContact CH2-CD2 4.01Å; W294-Y385 AromaticContact CH2-CE2 3.87Å; W294-Y385 HydrophobicContact CH2-CE2 3.87Å; W294-Y385 HydrophobicContact CZ2-CE2 4.47Å; W294-Y385 AromaticContact CZ3-CD2 3.89Å; W294-Y385 HydrophobicContact CZ3-CD2 3.89Å; W294-Y385 AromaticContact CZ3-CE2 3.91Å; W294-Y385 HydrophobicContact CZ3-CE2 3.91Å; W294-C389 HydrophobicContact CH2-CB 3.95Å; W294-C389 HydrophobicContact CZ2-CB 4.07Å; W294-Y392 HydrophobicContact CZ2-CD1 4.33Å; W294-Y392 HydrophobicContact CZ2-CG 4.04Å; W294-Y392 AromaticContact NE1-CD1 3.59Å; W294-Y392 AromaticContact NE1-CD2 3.64Å; W294-Y392 AromaticContact NE1-CE1 3.69Å; W294-Y392 AromaticContact NE1-CE2 3.73Å; W294-Y392 AromaticContact NE1-CG 3.59Å; W294-Y392 AromaticContact NE1-CZ 3.78Å; W294-V448 HydrophobicContact CB-CG1 3.54Å; W294-V448 HydrophobicContact CD2-CB 4.5Å; W294-V448 HydrophobicContact CD2-CG1 3.99Å; W294-V448 HydrophobicContact CD2-CG2 4.09Å; W294-V448 HydrophobicContact CE3-CG1 4.43Å; W294-V448 HydrophobicContact CG-CB 4.37Å; W294-V448 HydrophobicContact CG-CG1 3.59Å; W294-V448 HydrophobicContact CG-CG2 3.92Å; W294-F451 HydrophobicContact CE3-CB 4.48Å; W294-F451 AromaticContact CE3-CD1 3.76Å; W294-F451 HydrophobicContact CE3-CD1 3.76Å; W294-F451 HydrophobicContact CE3-CE1 4.27Å; W294-F451 HydrophobicContact CE3-CG 4.19Å; W294-F451 HydrophobicContact CZ3-CB 3.94Å; W294-F451 AromaticContact CZ3-CD1 3.55Å; W294-F451 HydrophobicContact CZ3-CD1 3.55Å; W294-F451 HydrophobicContact CZ3-CD2 4.09Å; W294-F451 HydrophobicContact CZ3-CE1 4.05Å; W294-F451 AromaticContact CZ3-CG 3.57Å; W294-F451 HydrophobicContact CZ3-CG 3.57Å; W294-Y452 WeakPolarHBondContact CA-OH 3.25Å; W294-Y452 HydrophobicContact CB-CE2 4.14Å; W294-Y452 HydrophobicContact CE3-CE2 4.34Å; W294-Y452 PolarHBondContact N-OH 3.15Å
295	I	91.2	Very high	82.9	Confident	42 Å²	42	70.6 Å²	70.6	22%	0.215	36%	0.36	C	S	.	.	H	α-helix	trans	-56.5	-48.9	178.8	-67	168.3	0	0	0	109.9	E280 L291 K297 C298 D299	E280-I295 HydrophobicContact CG-CD1 3.99Å; L291-I295 HydrophobicContact CD1-CD1 4.01Å; L291-I295 HydrophobicContact CD1-CG1 4.07Å; L291-I295 HydrophobicContact CD2-CD1 4.36Å; L291-I295 HydrophobicContact CG-CD1 3.82Å; L291-I295 HydrophobicContact CG-CG1 4.32Å; L291-I295 WeakPolarHBondContact O-CG1 3.12Å; L291-I295 PolarHBondContact O-N 3.43Å; I295-K297 VanDerWaalsContact C-N 3.31Å; I295-K297 PolarHBondContact O-N 3.11Å; I295-C298 WeakPolarHBondContact O-CB 3.29Å; I295-C298 PolarHBondContact O-N 3.1Å; I295-C298 VanDerWaalsContact O-N 3.1Å; I295-D299 PolarHBondContact O-N 3.13Å
296	K	89.8	Confident	80.9	Confident	133 Å²	133	73.8 Å²	73.8	58%	0.578	38%	0.377	S	S	*	.	H	α-helix	trans	-57.5	-42.7	177	-178.1	172.2	-178.9	173.8	0	112.6	R292 W294 C298 D299 D300	R292-K296 PolarHBondContact O-N 3.1Å; W294-K296 VanDerWaalsContact C-N 3.32Å; W294-K296 PolarHBondContact O-N 3.37Å; K296-C298 VanDerWaalsContact C-N 3.34Å; K296-D299 PolarHBondContact O-N 3.41Å; K296-D300 PolarHBondContact O-N 3.07Å
297	K	86.3	Confident	78.6	Confident	76 Å²	76	82.2 Å²	82.2	33%	0.33	41%	0.409	S	S	.	.	H	α-helix	trans	-64	-39.4	177.3	-169	-177	-178.8	74.7	0	111.9	K293 W294 I295 D301 Y385 F451	K293-K297 WeakPolarHBondContact O-CB 3.48Å; K293-K297 PolarHBondContact O-N 2.86Å; W294-K297 WeakPolarHBondContact O-CB 3.25Å; W294-K297 PolarHBondContact O-N 3.24Å; W294-K297 VanDerWaalsContact O-N 3.09Å; I295-K297 VanDerWaalsContact C-N 3.31Å; I295-K297 PolarHBondContact O-N 3.11Å; K297-D301 PolarHBondContact O-N 3.34Å; K297-Y385 HydrophobicContact CD-CD2 3.69Å; K297-Y385 HydrophobicContact CD-CE2 3.67Å; K297-Y385 HydrophobicContact CD-CG 4.4Å; K297-Y385 HydrophobicContact CG-CD2 4.44Å; K297-Y385 HydrophobicContact CG-CE2 3.98Å; K297-F451 HydrophobicContact CD-CE1 4.4Å; K297-F451 HydrophobicContact CD-CZ 4.45Å
298	C	82.7	Confident	76.1	Confident	23 Å²	23	83.7 Å²	83.7	16%	0.155	42%	0.42	C	S	.	.	H	α-helix	trans	-66.8	-35.2	175.3	-66.6	0	0	0	0	112.8	W294 I295 K296 Y385	W294-C298 PolarHBondContact O-N 3.27Å; W294-C298 PolarHBondContact O-SG 2.84Å; W294-C298 VanDerWaalsContact O-SG 3.38Å; I295-C298 WeakPolarHBondContact O-CB 3.29Å; I295-C298 PolarHBondContact O-N 3.1Å; I295-C298 VanDerWaalsContact O-N 3.1Å; K296-C298 VanDerWaalsContact C-N 3.34Å; C298-Y385 WeakPolarHBondContact CA-OH 3.41Å
299	D	79.9	Confident	74	Confident	121 Å²	121	85.5 Å²	85.5	65%	0.647	44%	0.436	S	S	*	.	H	α-helix	trans	-72.6	-37.8	178.2	-66.3	-23.8	0	0	0	112.6	I295 K296	I295-D299 PolarHBondContact O-N 3.13Å; K296-D299 PolarHBondContact O-N 3.41Å
300	D	75.6	Confident	72.2	Confident	115 Å²	115	81.7 Å²	81.7	62%	0.615	42%	0.423	S	S	*	.	H	α-helix	trans	-75.2	-30.9	-177.1	-71.7	-23.9	0	0	0	112.7	K296 S302	K296-D300 PolarHBondContact O-N 3.07Å; D300-S302 PolarHBondContact O-N 2.83Å
301	D	68.1	Low	70.7	Confident	71 Å²	71	82.7 Å²	82.7	38%	0.38	43%	0.429	S	S	.	.	S	Bend	trans	-87.6	86.3	-178.9	-73.8	-22.7	0	0	0	111.1	K297 E303 Y385	K297-D301 PolarHBondContact O-N 3.34Å; D301-E303 PolarHBondContact O-N 2.87Å; D301-Y385 HydrophobicContact CB-CE1 4.23Å; D301-Y385 WeakPolarHBondContact OD2-CE1 3.39Å
302	S	57.1	Low	69.7	Low	97 Å²	97	85.6 Å²	85.6	68%	0.678	45%	0.447	S	S	*	.			trans	-30.3	121.6	-172.8	67.7	0	0	0	0	117.5	D300 T304	D300-S302 PolarHBondContact O-N 2.83Å; S302-T304 VanDerWaalsContact C-N 3.3Å; S302-T304 PolarHBondContact O-N 3.28Å
303	E	57.4	Low	69.3	Low	124 Å²	124	79.6 Å²	79.6	58%	0.579	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	5.4	-172.6	-80.4	-118.1	123.7	0	0	118.6	D301	D301-E303 PolarHBondContact O-N 2.87Å
304	T	46.8	Very low	69.1	Low	117 Å²	117	81.1 Å²	81.1	72%	0.718	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-19	-167.3	-19.7	0	0	0	0	115	S302	S302-T304 VanDerWaalsContact C-N 3.3Å; S302-T304 PolarHBondContact O-N 3.28Å
305	S	48.7	Very low	69	Low	102 Å²	102	81.1 Å²	81.1	71%	0.713	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-14.6	-178.8	-60.9	0	0	0	0	114.6
306	N	53.4	Low	69.1	Low	70 Å²	70	81.9 Å²	81.9	37%	0.374	44%	0.441	S	S	.	.	H	α-helix	trans	-93.2	-25.2	-174	-76.3	-18	0	0	0	114.1	A310	N306-A310 PolarHBondContact O-N 3.01Å
307	W	48	Very low	69.2	Low	182 Å²	182	82.1 Å²	82.1	69%	0.689	44%	0.442	S	S	*	.	H	α-helix	trans	-72	-31.5	-178.4	-168	85	0	0	0	113.4	N311	W307-N311 PolarHBondContact O-ND2 2.7Å
308	I	44.8	Very low	69.6	Low	125 Å²	125	80.3 Å²	80.3	64%	0.641	44%	0.438	S	S	*	.	H	α-helix	trans	-71.7	-38.6	178.7	-59.3	176.8	0	0	0	111	A310	I308-A310 VanDerWaalsContact C-N 3.32Å; I308-A310 PolarHBondContact O-N 3.44Å
309	A	53.7	Low	70	Confident	50 Å²	50	85 Å²	85	41%	0.413	46%	0.458	S	S	.	.	H	α-helix	trans	-76.3	-13.2	178.6	0	0	0	0	0	114.6	K313	A309-K313 WeakPolarHBondContact O-CE 3.32Å
310	A	58	Low	70.5	Confident	21 Å²	21	82.4 Å²	82.4	17%	0.174	45%	0.446	C	S	.	.	H	α-helix	trans	-87.6	-32.8	-176.8	0	0	0	0	0	113.4	N306 I308 W344 Q397	N306-A310 PolarHBondContact O-N 3.01Å; I308-A310 VanDerWaalsContact C-N 3.32Å; I308-A310 PolarHBondContact O-N 3.44Å; A310-W344 WeakPolarHBondContact O-CZ2 3.29Å; A310-Q397 PolarHBondContact O-OE1 2.98Å
311	N	64.9	Low	71.2	Confident	31 Å²	31	81.3 Å²	81.3	17%	0.166	44%	0.444	C	S	.	.	H	α-helix	trans	-98.6	-25.9	-173	-66	-72.9	0	0	0	113.6	W307 E323 K324 Q397	W307-N311 PolarHBondContact O-ND2 2.7Å; N311-E323 VanDerWaalsContact O-CA 3.31Å; N311-E323 WeakPolarHBondContact O-CA 3.35Å; N311-K324 PolarHBondContact O-N 3.37Å; N311-Q397 PolarHBondContact OD1-NE2 2.59Å
312	T	75.6	Confident	72.1	Confident	64 Å²	64	79.4 Å²	79.4	39%	0.393	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	124.7	-173.5	-51.4	0	0	0	0	110	T321 I322	T312-T321 HydrophobicContact CG2-CG2 3.17Å; T312-I322 WeakPolarHBondContact CA-O 3.27Å
313	K	86.6	Confident	73.5	Confident	33 Å²	33	81.5 Å²	81.5	14%	0.143	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	160.3	177.4	-65.1	-169.3	-178.4	-169.7	0	110.1	A309 I322 W344 V345 L347	A309-K313 WeakPolarHBondContact O-CE 3.32Å; K313-I322 PolarHBondContact N-O 2.95Å; K313-I322 PolarHBondContact O-N 3.21Å; K313-I322 VanDerWaalsContact O-O 3.11Å; K313-W344 HydrophobicContact CB-CE3 4.48Å; K313-W344 HydrophobicContact CB-CH2 3.72Å; K313-W344 HydrophobicContact CB-CZ2 4.11Å; K313-W344 HydrophobicContact CB-CZ3 3.91Å; K313-W344 HydrophobicContact CD-CD2 4.14Å; K313-W344 HydrophobicContact CD-CE3 4.48Å; K313-W344 HydrophobicContact CD-CH2 4.37Å; K313-W344 HydrophobicContact CD-CZ2 3.97Å; K313-W344 HydrophobicContact CG-CH2 3.83Å; K313-W344 HydrophobicContact CG-CZ2 3.67Å; K313-W344 HydrophobicContact CG-CZ3 4.34Å; K313-W344 PolarHBondContact NZ-O 2.87Å; K313-V345 PolarHBondContact NZ-O 2.89Å; K313-L347 HydrophobicContact CD-CD2 3.95Å
314	E	89.3	Confident	74.8	Confident	107 Å²	107	75.8 Å²	75.8	50%	0.5	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	146.5	175.8	-67	179.9	-179.3	0	0	111.3	H319	E314-H319 IonicContact OE2-ND1 3.56Å
315	C	91.3	Very high	76.6	Confident	0 Å²	0	75 Å²	75	0%	0	40%	0.397	C	S	.	.			trans	-62.1	128.8	171.2	179.9	0	0	0	0	110.1	K317 C318 H319 V320 I322 C333	C315-K317 PolarHBondContact O-N 3.12Å; C315-K317 VanDerWaalsContact O-N 3.09Å; C315-C318 VanDerWaalsContact SG-SG 3.62Å; C315-H319 VanDerWaalsContact O-CA 3.26Å; C315-H319 WeakPolarHBondContact O-CA 3.36Å; C315-H319 PolarHBondContact O-N 3.36Å; C315-V320 PolarHBondContact N-O 3.47Å; C315-I322 HydrophobicContact CB-CD1 3.83Å; C315-C333 VanDerWaalsContact SG-SG 3.69Å
316	P	93	Very high	78.5	Confident	58 Å²	58	70.6 Å²	70.6	38%	0.377	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.6	-177.9	26	-35.6	0	0	0	113.9	F342 L347	P316-F342 HydrophobicContact CG-CB 3.97Å; P316-F342 HydrophobicContact CG-CD1 4.16Å; P316-F342 HydrophobicContact CG-CD2 3.98Å; P316-F342 HydrophobicContact CG-CG 3.77Å; P316-L347 WeakPolarHBondContact CG-O 3.38Å
317	K	92.3	Very high	80.1	Confident	137 Å²	137	67.3 Å²	67.3	60%	0.596	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-38.9	-178.7	-176.2	178.2	178.5	-172.9	0	114	C315 A340	C315-K317 PolarHBondContact O-N 3.12Å; C315-K317 VanDerWaalsContact O-N 3.09Å; K317-A340 HydrophobicContact CB-CB 4.16Å; K317-A340 HydrophobicContact CD-CB 3.76Å
318	C	93.6	Very high	82.2	Confident	38 Å²	38	58.6 Å²	58.6	26%	0.257	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	0.9	-173.1	71.6	0	0	0	0	114.5	C315 V320 C338	C315-C318 VanDerWaalsContact SG-SG 3.62Å; C318-V320 PolarHBondContact O-N 2.72Å; C318-C338 HydrophobicContact CB-CB 3.97Å; C318-C338 VanDerWaalsContact SG-SG 3.69Å
319	H	91.3	Very high	84.4	Confident	122 Å²	122	52.8 Å²	52.8	57%	0.565	29%	0.287	S	S	*	.			trans	57.8	10.1	177.1	-52.6	-71	0	0	0	115.9	E314 C315 T321	E314-H319 IonicContact OE2-ND1 3.56Å; C315-H319 VanDerWaalsContact O-CA 3.26Å; C315-H319 WeakPolarHBondContact O-CA 3.36Å; C315-H319 PolarHBondContact O-N 3.36Å; H319-T321 PolarHBondContact O-N 3.32Å
320	V	91.5	Very high	86.3	Confident	66 Å²	66	51.8 Å²	51.8	40%	0.4	27%	0.274	S	S	.	.			trans	-64.7	130.7	170.5	173.6	0	0	0	0	108.8	C315 C318	C315-V320 PolarHBondContact N-O 3.47Å; C318-V320 PolarHBondContact O-N 2.72Å
321	T	89.6	Confident	88	Confident	92 Å²	92	51.7 Å²	51.7	56%	0.564	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.3	129.9	175.4	-47.5	0	0	0	0	111	T312 H319	T312-T321 HydrophobicContact CG2-CG2 3.17Å; H319-T321 PolarHBondContact O-N 3.32Å
322	I	87.1	Confident	89.3	Confident	31 Å²	31	53.3 Å²	53.3	16%	0.159	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.2	-179.3	-62.5	167.4	0	0	0	108.2	T312 K313 C315 F342 W344	T312-I322 WeakPolarHBondContact CA-O 3.27Å; K313-I322 PolarHBondContact N-O 2.95Å; K313-I322 PolarHBondContact O-N 3.21Å; K313-I322 VanDerWaalsContact O-O 3.11Å; C315-I322 HydrophobicContact CB-CD1 3.83Å; I322-F342 HydrophobicContact CD1-CE1 4.02Å; I322-F342 HydrophobicContact CD1-CZ 3.69Å; I322-W344 HydrophobicContact CB-CZ3 4.28Å; I322-W344 HydrophobicContact CG2-CZ3 3.92Å; I322-W344 WeakPolarHBondContact O-CH2 3.45Å
323	E	86.8	Confident	90	Very high	141 Å²	141	50.5 Å²	50.5	66%	0.659	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	138.8	170.7	-172.5	-177.8	169.3	0	0	110	N311 D325	N311-E323 VanDerWaalsContact O-CA 3.31Å; N311-E323 WeakPolarHBondContact O-CA 3.35Å; E323-D325 PolarHBondContact O-N 2.79Å
324	K	85.4	Confident	90.2	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.017	29%	0.293	C	S	.	.			trans	-76.5	116.1	177.5	-162.4	-176.8	-168.4	-169.7	0	110.4	N311 G326 N329 W344 N394 S398 F401	N311-K324 PolarHBondContact O-N 3.37Å; K324-G326 VanDerWaalsContact CE-O 3.31Å; K324-G326 WeakPolarHBondContact CE-O 3.5Å; K324-N329 PolarHBondContact NZ-OD1 3.41Å; K324-W344 HydrophobicContact CB-CH2 3.95Å; K324-W344 HydrophobicContact CB-CZ2 3.68Å; K324-W344 HydrophobicContact CD-CD2 4.41Å; K324-W344 HydrophobicContact CD-CG 4.44Å; K324-W344 HydrophobicContact CD-CZ2 4.49Å; K324-W344 HydrophobicContact CG-CD2 4.45Å; K324-W344 HydrophobicContact CG-CZ2 4.39Å; K324-N394 PolarHBondContact NZ-ND2 3.48Å; K324-S398 PolarHBondContact NZ-OG 3.08Å; K324-F401 HydrophobicContact CD-CE2 4.19Å; K324-F401 HydrophobicContact CG-CE2 4.25Å; K324-F401 WeakPolarHBondContact O-CZ 3.34Å
325	D	84.1	Confident	90.3	Very high	102 Å²	102	55.8 Å²	55.8	55%	0.545	28%	0.282	S	S	.	.			trans	-116.8	5	-178.8	67.4	-21.4	0	0	0	114.9	E323 R334	E323-D325 PolarHBondContact O-N 2.79Å; D325-R334 IonicContact OD1-NH2 3.61Å; D325-R334 PolarHBondContact OD1-NH2 2.86Å; D325-R334 IonicContact OD2-CZ 3.79Å; D325-R334 IonicContact OD2-NH1 2.63Å; D325-R334 IonicContact OD2-NH2 3.97Å; D325-R334 PolarHBondContact OD2-NH2 2.82Å
326	G	87.5	Confident	90.3	Very high	9 Å²	9	62.3 Å²	62.3	9%	0.093	31%	0.313	C	S	.	.	S	Bend	trans	-142.1	172.1	178.6	0	0	0	0	0	113.2	K324 F401	K324-G326 VanDerWaalsContact CE-O 3.31Å; K324-G326 WeakPolarHBondContact CE-O 3.5Å; G326-F401 WeakPolarHBondContact O-CD2 3.44Å
327	G	87.5	Confident	90.3	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.334	C	S	.	.	S	Bend	trans	-80.1	-28.7	176.1	0	0	0	0	0	112.9	S398 R440 E481	G327-S398 WeakPolarHBondContact O-CB 3.23Å; G327-S398 PolarHBondContact O-OG 3.49Å; G327-R440 PolarHBondContact O-NH2 2.6Å; G327-E481 VanDerWaalsContact CA-OE1 3.28Å; G327-E481 WeakPolarHBondContact CA-OE1 3.45Å; G327-E481 PolarHBondContact N-OE1 3.14Å; G327-E481 PolarHBondContact N-OE2 2.92Å
328	C	91.5	Very high	90.3	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.309	C	S	.	.			trans	-65.9	134	-178.7	-171.9	0	0	0	0	112	H330 M331 S477 G478 E481	C328-H330 VanDerWaalsContact SG-CB 3.57Å; C328-H330 PolarHBondContact SG-N 3.15Å; C328-H330 VanDerWaalsContact SG-N 3.41Å; C328-M331 WeakPolarHBondContact O-CE 3.34Å; C328-S477 VanDerWaalsContact CA-OG 3.31Å; C328-S477 WeakPolarHBondContact CA-OG 3.4Å; C328-S477 WeakPolarHBondContact CB-OG 3.32Å; C328-S477 PolarHBondContact N-OG 3.29Å; C328-G478 VanDerWaalsContact SG-CA 3.54Å; C328-E481 WeakPolarHBondContact CB-OE2 3.33Å; C328-E481 PolarHBondContact N-OE1 3.25Å; C328-E481 PolarHBondContact N-OE2 2.96Å
329	N	92.6	Very high	90.2	Very high	3 Å²	3	64.6 Å²	64.6	2%	0.016	32%	0.321	C	S	.	.			trans	-90.1	-7	175.9	-70	-47.3	0	0	0	113.2	K324 M331 W344 N394 R440 E474	K324-N329 PolarHBondContact NZ-OD1 3.41Å; N329-M331 PolarHBondContact O-N 3.22Å; N329-W344 HydrophobicContact CB-CB 4.22Å; N329-W344 PolarHBondContact O-N 3.38Å; N329-N394 PolarHBondContact ND2-OD1 3.35Å; N329-N394 PolarHBondContact OD1-ND2 3.41Å; N329-N394 PolarHBondContact OD1-OD1 2.97Å; N329-N394 VanDerWaalsContact OD1-OD1 3.07Å; N329-R440 PolarHBondContact ND2-NH1 2.87Å; N329-E474 PolarHBondContact N-OE2 2.68Å; N329-E474 PolarHBondContact ND2-OE1 3.04Å
330	H	93.1	Very high	90.3	Very high	29 Å²	29	59.8 Å²	59.8	13%	0.134	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	105.9	169.2	179.2	-156.5	0	0	0	109.7	C328 E341 W350 R482	C328-H330 VanDerWaalsContact SG-CB 3.57Å; C328-H330 PolarHBondContact SG-N 3.15Å; C328-H330 VanDerWaalsContact SG-N 3.41Å; H330-E341 IonicContact CE1-OE2 3.74Å; H330-E341 PolarHBondContact CE1-OE2 3.19Å; H330-E341 IonicContact NE2-OE2 2.65Å; H330-E341 PolarHBondContact NE2-OE2 2.93Å; H330-W350 VanDerWaalsContact CA-CZ3 3.49Å; H330-W350 HydrophobicContact CB-CD2 3.82Å; H330-W350 HydrophobicContact CB-CE3 3.85Å; H330-W350 HydrophobicContact CB-CH2 3.55Å; H330-W350 HydrophobicContact CB-CZ2 3.5Å; H330-W350 HydrophobicContact CB-CZ3 3.72Å; H330-W350 AromaticContact CD2-CD1 3.38Å; H330-W350 AromaticContact CD2-CD2 3.2Å; H330-W350 AromaticContact CD2-CE2 3.51Å; H330-W350 AromaticContact CD2-CE3 3.8Å; H330-W350 AromaticContact CD2-CG 3.16Å; H330-W350 AromaticContact CD2-NE1 3.56Å; H330-W350 AromaticContact CE1-CD1 3.75Å; H330-W350 AromaticContact CE1-NE1 3.71Å; H330-W350 AromaticContact CG-CD1 3.95Å; H330-W350 AromaticContact CG-CD2 3.56Å; H330-W350 AromaticContact CG-CE2 3.4Å; H330-W350 VanDerWaalsContact CG-CE2 3.4Å; H330-W350 AromaticContact CG-CG 3.93Å; H330-W350 AromaticContact CG-CZ2 3.82Å; H330-W350 AromaticContact CG-NE1 3.62Å; H330-W350 AromaticContact ND1-CE2 3.96Å; H330-W350 AromaticContact ND1-NE1 3.76Å; H330-W350 AromaticContact NE2-CD1 3.23Å; H330-W350 AromaticContact NE2-CD2 3.93Å; H330-W350 AromaticContact NE2-CG 3.44Å; H330-W350 AromaticContact NE2-NE1 3.6Å; H330-R482 PolarHBondContact ND1-NH2 3.49Å; H330-R482 PolarHBondContact O-NH1 3.47Å
331	M	93	Very high	90.5	Very high	19 Å²	19	61.4 Å²	61.4	9%	0.094	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	139.1	-176.7	-59	-74.3	82.2	0	0	111	C328 N329 E341 F342 W344	C328-M331 WeakPolarHBondContact O-CE 3.34Å; N329-M331 PolarHBondContact O-N 3.22Å; M331-E341 CarbonylContact O-C 3.57Å; M331-E341 VanDerWaalsContact O-CA 3.23Å; M331-E341 WeakPolarHBondContact O-CA 3.17Å; M331-F342 HydrophobicContact CB-CD1 4.2Å; M331-F342 HydrophobicContact CB-CD2 4.28Å; M331-F342 HydrophobicContact CB-CE1 3.84Å; M331-F342 HydrophobicContact CB-CE2 3.93Å; M331-F342 HydrophobicContact CB-CG 4.41Å; M331-F342 HydrophobicContact CB-CZ 3.69Å; M331-F342 WeakPolarHBondContact CB-O 3.37Å; M331-F342 HydrophobicContact CG-CE2 4.24Å; M331-F342 HydrophobicContact CG-CZ 4.32Å; M331-F342 PolarHBondContact N-O 2.9Å; M331-F342 PolarHBondContact O-N 2.92Å; M331-W344 HydrophobicContact CG-CB 3.81Å; M331-W344 HydrophobicContact CG-CE3 3.9Å; M331-W344 HydrophobicContact SD-CB 4.39Å; M331-W344 HydrophobicContact SD-CD2 4.41Å; M331-W344 HydrophobicContact SD-CE3 3.78Å; M331-W344 HydrophobicContact SD-CZ3 4.48Å
332	V	91.8	Very high	90.7	Very high	64 Å²	64	57.2 Å²	57.2	39%	0.388	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.2	171.4	-174.3	0	0	0	0	108	R334 E341	V332-R334 PolarHBondContact O-N 3.14Å; V332-E341 HydrophobicContact CG1-CG 4.38Å; V332-E341 HydrophobicContact CG2-CG 4.07Å
333	C	92.2	Very high	91	Very high	5 Å²	5	56 Å²	56	3%	0.034	27%	0.274	C	S	.	.			trans	-63.7	121.3	-178.2	-173.1	0	0	0	0	111.2	C315 N335 C338 A340	C315-C333 VanDerWaalsContact SG-SG 3.69Å; C333-N335 PolarHBondContact O-N 3.32Å; C333-C338 HydrophobicContact CB-CB 4.27Å; C333-A340 PolarHBondContact N-O 2.93Å
334	R	90.3	Very high	91.3	Very high	199 Å²	199	49.4 Å²	49.4	75%	0.751	24%	0.243	S	C	*	.			trans	-70.1	-12.6	178.6	-63.5	-174.6	-175.3	-178.3	2.3	114	D325 V332 Q336	D325-R334 IonicContact OD1-NH2 3.61Å; D325-R334 PolarHBondContact OD1-NH2 2.86Å; D325-R334 IonicContact OD2-CZ 3.79Å; D325-R334 IonicContact OD2-NH1 2.63Å; D325-R334 IonicContact OD2-NH2 3.97Å; D325-R334 PolarHBondContact OD2-NH2 2.82Å; V332-R334 PolarHBondContact O-N 3.14Å; R334-Q336 PolarHBondContact O-N 3.09Å
335	N	90.6	Very high	91.5	Very high	52 Å²	52	50 Å²	50	28%	0.278	25%	0.247	S	C	.	.			trans	-66.8	116.5	174.2	-178.4	-15.1	0	0	0	109	C333 N337 C338 K339	C333-N335 PolarHBondContact O-N 3.32Å; N335-N337 PolarHBondContact O-N 3.02Å; N335-N337 PolarHBondContact OD1-N 3.04Å; N335-C338 HydrophobicContact CB-CB 4Å; N335-C338 PolarHBondContact O-N 3.29Å; N335-K339 PolarHBondContact O-N 3.39Å; N335-K339 VanDerWaalsContact O-N 3.12Å
336	Q	90.8	Very high	91.7	Very high	137 Å²	137	47.3 Å²	47.3	64%	0.64	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-26.7	-176.9	-167.4	66	5.8	0	0	113.3	R334 K339	R334-Q336 PolarHBondContact O-N 3.09Å; Q336-K339 VanDerWaalsContact CD-CE 3.44Å; Q336-K339 VanDerWaalsContact NE2-NZ 3.13Å; Q336-K339 WeakPolarHBondContact O-CE 3.45Å
337	N	92.9	Very high	91.9	Very high	154 Å²	154	50 Å²	50	82%	0.824	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-8.1	179.6	-62.4	-21.3	0	0	0	113.5	N335	N335-N337 PolarHBondContact O-N 3.02Å; N335-N337 PolarHBondContact OD1-N 3.04Å
338	C	93.7	Very high	92.1	Very high	12 Å²	12	50.6 Å²	50.6	8%	0.081	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-58.5	-175.4	179.4	0	0	0	0	112.1	C318 C333 N335 A340	C318-C338 HydrophobicContact CB-CB 3.97Å; C318-C338 VanDerWaalsContact SG-SG 3.69Å; C333-C338 HydrophobicContact CB-CB 4.27Å; N335-C338 HydrophobicContact CB-CB 4Å; N335-C338 PolarHBondContact O-N 3.29Å; C338-A340 PolarHBondContact O-N 3.1Å
339	K	92	Very high	92.2	Very high	115 Å²	115	54.3 Å²	54.3	50%	0.5	28%	0.278	S	S	.	.			trans	43.6	22.5	-177.6	-59	-173.6	-178.2	-179.1	0	115.9	N335 Q336	N335-K339 PolarHBondContact O-N 3.39Å; N335-K339 VanDerWaalsContact O-N 3.12Å; Q336-K339 VanDerWaalsContact CD-CE 3.44Å; Q336-K339 VanDerWaalsContact NE2-NZ 3.13Å; Q336-K339 WeakPolarHBondContact O-CE 3.45Å
340	A	93.1	Very high	92.2	Very high	22 Å²	22	55.8 Å²	55.8	18%	0.182	28%	0.283	C	S	.	.			trans	-68.7	143.9	179.7	0	0	0	0	0	110.9	K317 C333 C338	K317-A340 HydrophobicContact CB-CB 4.16Å; K317-A340 HydrophobicContact CD-CB 3.76Å; C333-A340 PolarHBondContact N-O 2.93Å; C338-A340 PolarHBondContact O-N 3.1Å
341	E	94.5	Very high	92.2	Very high	100 Å²	100	63.2 Å²	63.2	47%	0.467	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.4	174.8	-53.7	-168.9	-172.9	0	0	110.3	H330 M331 V332 W350	H330-E341 IonicContact CE1-OE2 3.74Å; H330-E341 PolarHBondContact CE1-OE2 3.19Å; H330-E341 IonicContact NE2-OE2 2.65Å; H330-E341 PolarHBondContact NE2-OE2 2.93Å; M331-E341 CarbonylContact O-C 3.57Å; M331-E341 VanDerWaalsContact O-CA 3.23Å; M331-E341 WeakPolarHBondContact O-CA 3.17Å; V332-E341 HydrophobicContact CG1-CG 4.38Å; V332-E341 HydrophobicContact CG2-CG 4.07Å; E341-W350 HydrophobicContact CB-CB 3.93Å; E341-W350 PolarHBondContact O-N 3.37Å; E341-W350 VanDerWaalsContact O-N 3.12Å
342	F	94.4	Very high	92.1	Very high	3 Å²	3	63.1 Å²	63.1	1%	0.013	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	163.4	-174.4	66.8	-83.3	0	0	0	111.4	P316 I322 M331 L347 G348	P316-F342 HydrophobicContact CG-CB 3.97Å; P316-F342 HydrophobicContact CG-CD1 4.16Å; P316-F342 HydrophobicContact CG-CD2 3.98Å; P316-F342 HydrophobicContact CG-CG 3.77Å; I322-F342 HydrophobicContact CD1-CE1 4.02Å; I322-F342 HydrophobicContact CD1-CZ 3.69Å; M331-F342 HydrophobicContact CB-CD1 4.2Å; M331-F342 HydrophobicContact CB-CD2 4.28Å; M331-F342 HydrophobicContact CB-CE1 3.84Å; M331-F342 HydrophobicContact CB-CE2 3.93Å; M331-F342 HydrophobicContact CB-CG 4.41Å; M331-F342 HydrophobicContact CB-CZ 3.69Å; M331-F342 WeakPolarHBondContact CB-O 3.37Å; M331-F342 HydrophobicContact CG-CE2 4.24Å; M331-F342 HydrophobicContact CG-CZ 4.32Å; M331-F342 PolarHBondContact N-O 2.9Å; M331-F342 PolarHBondContact O-N 2.92Å; F342-L347 HydrophobicContact CD2-CD2 4.18Å; F342-L347 HydrophobicContact CE2-CD2 3.99Å; F342-G348 CarbonylContact C-O 3.55Å; F342-G348 VanDerWaalsContact CA-O 3.24Å; F342-G348 WeakPolarHBondContact CA-O 3.37Å; F342-G348 VanDerWaalsContact CB-O 3.28Å; F342-G348 WeakPolarHBondContact CB-O 3.48Å
343	C	94	Very high	91.9	Very high	6 Å²	6	61.5 Å²	61.5	4%	0.041	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	130.2	176.4	175	0	0	0	0	111.1	V345 L347 G348 W350 H353	C343-V345 PolarHBondContact O-N 3.36Å; C343-V345 PolarHBondContact SG-N 3.48Å; C343-V345 VanDerWaalsContact SG-N 3.43Å; C343-L347 WeakPolarHBondContact O-CA 3.38Å; C343-L347 PolarHBondContact O-N 2.84Å; C343-G348 PolarHBondContact N-O 2.98Å; C343-W350 HydrophobicContact CB-CE3 4.05Å; C343-W350 HydrophobicContact CB-CZ3 4.2Å; C343-H353 WeakPolarHBondContact CB-CE1 3.4Å; C343-H353 VanDerWaalsContact CB-NE2 3.27Å; C343-H353 WeakPolarHBondContact CB-NE2 3.49Å
344	W	91.9	Very high	91.5	Very high	2 Å²	2	63.8 Å²	63.8	1%	0.008	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-31.1	177.7	-176.8	-96.9	0	0	0	113	A310 K313 I322 K324 N329 M331 N394	A310-W344 WeakPolarHBondContact O-CZ2 3.29Å; K313-W344 HydrophobicContact CB-CE3 4.48Å; K313-W344 HydrophobicContact CB-CH2 3.72Å; K313-W344 HydrophobicContact CB-CZ2 4.11Å; K313-W344 HydrophobicContact CB-CZ3 3.91Å; K313-W344 HydrophobicContact CD-CD2 4.14Å; K313-W344 HydrophobicContact CD-CE3 4.48Å; K313-W344 HydrophobicContact CD-CH2 4.37Å; K313-W344 HydrophobicContact CD-CZ2 3.97Å; K313-W344 HydrophobicContact CG-CH2 3.83Å; K313-W344 HydrophobicContact CG-CZ2 3.67Å; K313-W344 HydrophobicContact CG-CZ3 4.34Å; K313-W344 PolarHBondContact NZ-O 2.87Å; I322-W344 HydrophobicContact CB-CZ3 4.28Å; I322-W344 HydrophobicContact CG2-CZ3 3.92Å; I322-W344 WeakPolarHBondContact O-CH2 3.45Å; K324-W344 HydrophobicContact CB-CH2 3.95Å; K324-W344 HydrophobicContact CB-CZ2 3.68Å; K324-W344 HydrophobicContact CD-CD2 4.41Å; K324-W344 HydrophobicContact CD-CG 4.44Å; K324-W344 HydrophobicContact CD-CZ2 4.49Å; K324-W344 HydrophobicContact CG-CD2 4.45Å; K324-W344 HydrophobicContact CG-CZ2 4.39Å; N329-W344 HydrophobicContact CB-CB 4.22Å; N329-W344 PolarHBondContact O-N 3.38Å; M331-W344 HydrophobicContact CG-CB 3.81Å; M331-W344 HydrophobicContact CG-CE3 3.9Å; M331-W344 HydrophobicContact SD-CB 4.39Å; M331-W344 HydrophobicContact SD-CD2 4.41Å; M331-W344 HydrophobicContact SD-CE3 3.78Å; M331-W344 HydrophobicContact SD-CZ3 4.48Å; W344-N394 VanDerWaalsContact CD1-ND2 3.31Å
345	V	89.8	Confident	91.3	Very high	17 Å²	17	55.9 Å²	55.9	10%	0.103	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-60.4	-175.2	179.5	0	0	0	0	111	K313 C343 R391 N394	K313-V345 PolarHBondContact NZ-O 2.89Å; C343-V345 PolarHBondContact O-N 3.36Å; C343-V345 PolarHBondContact SG-N 3.48Å; C343-V345 VanDerWaalsContact SG-N 3.43Å; V345-R391 HydrophobicContact CG1-CG 3.88Å; V345-N394 HydrophobicContact CG2-CB 4.46Å
346	C	89.5	Confident	90.9	Very high	46 Å²	46	58 Å²	58	31%	0.311	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-10.9	-175.9	63.5	0	0	0	0	115.3	G348 Y358 C360	C346-G348 PolarHBondContact O-N 3.26Å; C346-G348 VanDerWaalsContact O-N 3.14Å; C346-G348 PolarHBondContact SG-N 3.36Å; C346-Y358 PolarHBondContact SG-OH 3.21Å; C346-C360 WeakPolarHBondContact CB-SG 3.45Å; C346-C360 PolarHBondContact SG-SG 3.32Å
347	L	91.1	Very high	90.6	Very high	66 Å²	66	60.8 Å²	60.8	35%	0.346	34%	0.336	S	S	.	.			trans	61.4	11.3	-172	-53.5	176.5	0	0	0	114.6	K313 P316 F342 C343	K313-L347 HydrophobicContact CD-CD2 3.95Å; P316-L347 WeakPolarHBondContact CG-O 3.38Å; F342-L347 HydrophobicContact CD2-CD2 4.18Å; F342-L347 HydrophobicContact CE2-CD2 3.99Å; C343-L347 WeakPolarHBondContact O-CA 3.38Å; C343-L347 PolarHBondContact O-N 2.84Å
348	G	91.8	Very high	90.3	Very high	12 Å²	12	56.3 Å²	56.3	12%	0.124	31%	0.308	C	S	.	.			trans	-79.5	165.2	173.2	0	0	0	0	0	113.1	F342 C343 C346	F342-G348 CarbonylContact C-O 3.55Å; F342-G348 VanDerWaalsContact CA-O 3.24Å; F342-G348 WeakPolarHBondContact CA-O 3.37Å; F342-G348 VanDerWaalsContact CB-O 3.28Å; F342-G348 WeakPolarHBondContact CB-O 3.48Å; C343-G348 PolarHBondContact N-O 2.98Å; C346-G348 PolarHBondContact O-N 3.26Å; C346-G348 VanDerWaalsContact O-N 3.14Å; C346-G348 PolarHBondContact SG-N 3.36Å
349	P	93.1	Very high	89.9	Confident	77 Å²	77	57.8 Å²	57.8	50%	0.5	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-58.5	145.1	177.9	26.1	-34.7	0	0	0	111.3	P352 H353	P349-P352 HydrophobicContact CG-CG 4.08Å; P349-P352 WeakPolarHBondContact O-CD 3.37Å; P349-H353 PolarHBondContact O-CE1 3.29Å; P349-H353 PolarHBondContact O-ND1 3.14Å
350	W	93.4	Very high	89.8	Confident	35 Å²	35	53 Å²	53	13%	0.133	30%	0.296	C	S	.	.	S	Bend	trans	-72.7	-43.7	-177.9	-175	-104.7	0	0	0	113	H330 E341 C343 P352 H353 E474	H330-W350 VanDerWaalsContact CA-CZ3 3.49Å; H330-W350 HydrophobicContact CB-CD2 3.82Å; H330-W350 HydrophobicContact CB-CE3 3.85Å; H330-W350 HydrophobicContact CB-CH2 3.55Å; H330-W350 HydrophobicContact CB-CZ2 3.5Å; H330-W350 HydrophobicContact CB-CZ3 3.72Å; H330-W350 AromaticContact CD2-CD1 3.38Å; H330-W350 AromaticContact CD2-CD2 3.2Å; H330-W350 AromaticContact CD2-CE2 3.51Å; H330-W350 AromaticContact CD2-CE3 3.8Å; H330-W350 AromaticContact CD2-CG 3.16Å; H330-W350 AromaticContact CD2-NE1 3.56Å; H330-W350 AromaticContact CE1-CD1 3.75Å; H330-W350 AromaticContact CE1-NE1 3.71Å; H330-W350 AromaticContact CG-CD1 3.95Å; H330-W350 AromaticContact CG-CD2 3.56Å; H330-W350 AromaticContact CG-CE2 3.4Å; H330-W350 VanDerWaalsContact CG-CE2 3.4Å; H330-W350 AromaticContact CG-CG 3.93Å; H330-W350 AromaticContact CG-CZ2 3.82Å; H330-W350 AromaticContact CG-NE1 3.62Å; H330-W350 AromaticContact ND1-CE2 3.96Å; H330-W350 AromaticContact ND1-NE1 3.76Å; H330-W350 AromaticContact NE2-CD1 3.23Å; H330-W350 AromaticContact NE2-CD2 3.93Å; H330-W350 AromaticContact NE2-CG 3.44Å; H330-W350 AromaticContact NE2-NE1 3.6Å; E341-W350 HydrophobicContact CB-CB 3.93Å; E341-W350 PolarHBondContact O-N 3.37Å; E341-W350 VanDerWaalsContact O-N 3.12Å; C343-W350 HydrophobicContact CB-CE3 4.05Å; C343-W350 HydrophobicContact CB-CZ3 4.2Å; W350-P352 VanDerWaalsContact C-CD 3.48Å; W350-P352 VanDerWaalsContact C-N 3.35Å; W350-P352 VanDerWaalsContact O-N 3.12Å; W350-H353 VanDerWaalsContact O-CB 3.27Å; W350-H353 WeakPolarHBondContact O-CB 3.49Å; W350-H353 PolarHBondContact O-N 3.4Å; W350-H353 PolarHBondContact O-ND1 3.02Å; W350-E474 HydrophobicContact CH2-CB 3.7Å; W350-E474 HydrophobicContact CH2-CG 3.96Å; W350-E474 HydrophobicContact CZ2-CB 4.14Å
351	E	91.9	Very high	89.7	Confident	184 Å²	184	52.1 Å²	52.1	86%	0.86	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	-42.6	-172	-178.1	-168.1	174.5	0	0	115	H353	E351-H353 VanDerWaalsContact C-N 3.25Å; E351-H353 PolarHBondContact O-N 3.2Å
352	P	91.4	Very high	89.4	Confident	18 Å²	18	50.2 Å²	50.2	12%	0.117	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-15.5	178.5	-23.7	37.9	0	0	0	115.1	P349 W350 G354 S355 W357 Y358	P349-P352 HydrophobicContact CG-CG 4.08Å; P349-P352 WeakPolarHBondContact O-CD 3.37Å; W350-P352 VanDerWaalsContact C-CD 3.48Å; W350-P352 VanDerWaalsContact C-N 3.35Å; W350-P352 VanDerWaalsContact O-N 3.12Å; P352-G354 PolarHBondContact O-N 3.29Å; P352-S355 VanDerWaalsContact O-CB 3.28Å; P352-S355 WeakPolarHBondContact O-CB 3.44Å; P352-S355 PolarHBondContact O-N 3.35Å; P352-S355 VanDerWaalsContact O-N 3.1Å; P352-S355 PolarHBondContact O-OG 3.39Å; P352-W357 HydrophobicContact CB-CH2 3.61Å; P352-W357 HydrophobicContact CB-CZ2 3.93Å; P352-W357 HydrophobicContact CB-CZ3 4.22Å; P352-W357 HydrophobicContact CG-CH2 3.87Å; P352-W357 HydrophobicContact CG-CZ2 4.38Å; P352-Y358 HydrophobicContact CB-CD1 3.98Å; P352-Y358 HydrophobicContact CB-CD2 3.97Å; P352-Y358 HydrophobicContact CB-CG 3.59Å; P352-Y358 WeakPolarHBondContact O-CB 3.46Å
353	H	88.3	Confident	89	Confident	29 Å²	29	50.8 Å²	50.8	13%	0.134	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	129.3	-176.7	-72.7	71.2	0	0	0	111.2	C343 P349 W350 E351 Y358 N471	C343-H353 WeakPolarHBondContact CB-CE1 3.4Å; C343-H353 VanDerWaalsContact CB-NE2 3.27Å; C343-H353 WeakPolarHBondContact CB-NE2 3.49Å; P349-H353 PolarHBondContact O-CE1 3.29Å; P349-H353 PolarHBondContact O-ND1 3.14Å; W350-H353 VanDerWaalsContact O-CB 3.27Å; W350-H353 WeakPolarHBondContact O-CB 3.49Å; W350-H353 PolarHBondContact O-N 3.4Å; W350-H353 PolarHBondContact O-ND1 3.02Å; E351-H353 VanDerWaalsContact C-N 3.25Å; E351-H353 PolarHBondContact O-N 3.2Å; H353-Y358 AromaticContact CE1-CE1 3.33Å; H353-Y358 WeakPolarHBondContact CE1-CE1 3.38Å; H353-Y358 AromaticContact CE1-CZ 3.96Å; H353-Y358 AromaticContact ND1-CE1 3.6Å; H353-Y358 AromaticContact NE2-CE1 3.6Å; H353-N471 PolarHBondContact O-ND2 2.83Å
354	G	83.1	Confident	88.4	Confident	54 Å²	54	53.8 Å²	53.8	56%	0.557	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	-2.4	-174.7	0	0	0	0	0	113.9	P352	P352-G354 PolarHBondContact O-N 3.29Å
355	S	85.9	Confident	87.4	Confident	33 Å²	33	56.7 Å²	56.7	23%	0.231	31%	0.309	C	S	.	.	S	Bend	trans	-79.7	154.6	166.5	72.2	0	0	0	0	111.3	P352 W357 Y358	P352-S355 VanDerWaalsContact O-CB 3.28Å; P352-S355 WeakPolarHBondContact O-CB 3.44Å; P352-S355 PolarHBondContact O-N 3.35Å; P352-S355 VanDerWaalsContact O-N 3.1Å; P352-S355 PolarHBondContact O-OG 3.39Å; S355-W357 VanDerWaalsContact C-N 3.25Å; S355-W357 PolarHBondContact O-N 3.03Å; S355-W357 PolarHBondContact OG-NE1 3.43Å; S355-Y358 WeakPolarHBondContact OG-CB 3.41Å; S355-Y358 PolarHBondContact OG-N 2.96Å
356	A	82	Confident	86.4	Confident	96 Å²	96	60.7 Å²	60.7	79%	0.793	33%	0.329	S	S	*	.	S	Bend	trans	-63.7	-29.8	-179.3	0	0	0	0	0	113.6	N359	A356-N359 PolarHBondContact O-ND2 3.47Å
357	W	84.9	Confident	85.2	Confident	196 Å²	196	64 Å²	64	74%	0.742	34%	0.344	S	S	*	.	S	Bend	trans	-90.8	-17.9	-172.7	58.8	-94.4	0	0	0	113.8	P352 S355	P352-W357 HydrophobicContact CB-CH2 3.61Å; P352-W357 HydrophobicContact CB-CZ2 3.93Å; P352-W357 HydrophobicContact CB-CZ3 4.22Å; P352-W357 HydrophobicContact CG-CH2 3.87Å; P352-W357 HydrophobicContact CG-CZ2 4.38Å; S355-W357 VanDerWaalsContact C-N 3.25Å; S355-W357 PolarHBondContact O-N 3.03Å; S355-W357 PolarHBondContact OG-NE1 3.43Å
358	Y	87.2	Confident	83.7	Confident	59 Å²	59	61.6 Å²	61.6	23%	0.231	33%	0.334	C	S	.	.			trans	-112.2	113.7	-180	-173.4	-89.5	0	0	0	111.8	C346 P352 H353 S355 C360	C346-Y358 PolarHBondContact SG-OH 3.21Å; P352-Y358 HydrophobicContact CB-CD1 3.98Å; P352-Y358 HydrophobicContact CB-CD2 3.97Å; P352-Y358 HydrophobicContact CB-CG 3.59Å; P352-Y358 WeakPolarHBondContact O-CB 3.46Å; H353-Y358 AromaticContact CE1-CE1 3.33Å; H353-Y358 WeakPolarHBondContact CE1-CE1 3.38Å; H353-Y358 AromaticContact CE1-CZ 3.96Å; H353-Y358 AromaticContact ND1-CE1 3.6Å; H353-Y358 AromaticContact NE2-CE1 3.6Å; S355-Y358 WeakPolarHBondContact OG-CB 3.41Å; S355-Y358 PolarHBondContact OG-N 2.96Å; Y358-C360 HydrophobicContact CE1-CB 4.14Å
359	N	84.6	Confident	82.2	Confident	44 Å²	44	67.2 Å²	67.2	24%	0.235	36%	0.355	C	S	.	.			trans	-125.3	102.6	-176.4	-66.6	-82.4	0	0	0	111.3	A356 R362	A356-N359 PolarHBondContact O-ND2 3.47Å; N359-R362 HydrophobicContact CB-CB 4.31Å; N359-R362 HydrophobicContact CB-CG 4.02Å; N359-R362 PolarHBondContact ND2-NH1 3.15Å
360	C	89.8	Confident	80.6	Confident	13 Å²	13	68 Å²	68	9%	0.088	37%	0.367	C	S	.	.	S	Bend	trans	-77	-21.9	176.5	175.6	0	0	0	0	112.6	C346 Y358 R391	C346-C360 WeakPolarHBondContact CB-SG 3.45Å; C346-C360 PolarHBondContact SG-SG 3.32Å; Y358-C360 HydrophobicContact CE1-CB 4.14Å; C360-R391 PolarHBondContact O-NE 2.84Å; C360-R391 PolarHBondContact O-NH2 2.96Å
361	N	90.6	Very high	78.9	Confident	5 Å²	5	69.1 Å²	69.1	3%	0.027	38%	0.384	C	S	.	.	S	Bend	trans	-84.5	-15.7	-175.8	65.6	-44.4	0	0	0	114.4	F387 Y447 E463 Q466	N361-F387 WeakPolarHBondContact O-CE1 3.36Å; N361-F387 WeakPolarHBondContact O-CZ 3.36Å; N361-Y447 HydrophobicContact CB-CE1 4.23Å; N361-Y447 VanDerWaalsContact CB-OH 3.24Å; N361-Y447 WeakPolarHBondContact CB-OH 3.36Å; N361-E463 PolarHBondContact ND2-O 2.91Å; N361-Q466 PolarHBondContact ND2-OE1 3.26Å
362	R	89.7	Confident	77.4	Confident	59 Å²	59	70.6 Å²	70.6	22%	0.223	38%	0.382	C	S	.	.	S	Bend	trans	-86.1	134.5	-177.5	-70.9	-174.7	161.8	134.7	4.7	112.6	N359 F387 I460 E463 N464	N359-R362 HydrophobicContact CB-CB 4.31Å; N359-R362 HydrophobicContact CB-CG 4.02Å; N359-R362 PolarHBondContact ND2-NH1 3.15Å; R362-F387 VanDerWaalsContact O-CZ 3.28Å; R362-F387 WeakPolarHBondContact O-CZ 3.23Å; R362-I460 PolarHBondContact NH2-O 2.88Å; R362-I460 VanDerWaalsContact NH2-O 3.1Å; R362-E463 WeakPolarHBondContact CD-OE2 3.26Å; R362-E463 HydrophobicContact CG-CB 4.16Å; R362-E463 HydrophobicContact CG-CG 4.33Å; R362-E463 WeakPolarHBondContact CG-OE2 3.2Å; R362-E463 IonicContact CZ-OE2 3.52Å; R362-E463 IonicContact NE-OE2 2.65Å; R362-E463 PolarHBondContact NE-OE2 2.96Å; R362-E463 IonicContact NH2-OE2 3.88Å; R362-N464 PolarHBondContact NH1-OD1 2.97Å; R362-N464 VanDerWaalsContact NH2-CG 3.25Å; R362-N464 PolarHBondContact NH2-OD1 3.35Å
363	Y	85.7	Confident	76	Confident	15 Å²	15	76.7 Å²	76.7	6%	0.059	41%	0.414	C	S	.	.			trans	-86	111	170.8	-174.7	-106.7	0	0	0	110.4	E365 A368 Q383 R384 F387 Y388 K455	Y363-E365 HydrophobicContact CD1-CG 3.93Å; Y363-E365 HydrophobicContact CE1-CG 3.9Å; Y363-E365 PolarHBondContact O-N 2.89Å; Y363-A368 WeakPolarHBondContact OH-CB 3.41Å; Y363-Q383 HydrophobicContact CE2-CG 4.42Å; Y363-R384 HydrophobicContact CD1-CB 4.4Å; Y363-R384 HydrophobicContact CD1-CG 4.08Å; Y363-R384 HydrophobicContact CE1-CB 3.86Å; Y363-R384 HydrophobicContact CE1-CG 4.02Å; Y363-R384 HydrophobicContact CE2-CB 4.45Å; Y363-F387 HydrophobicContact CD2-CB 3.71Å; Y363-F387 AromaticContact CD2-CD1 3.95Å; Y363-F387 HydrophobicContact CD2-CD1 3.95Å; Y363-F387 AromaticContact CD2-CD2 3.7Å; Y363-F387 HydrophobicContact CD2-CD2 3.7Å; Y363-F387 HydrophobicContact CD2-CE2 4.25Å; Y363-F387 AromaticContact CD2-CG 3.52Å; Y363-F387 HydrophobicContact CD2-CG 3.52Å; Y363-F387 HydrophobicContact CE2-CB 4.06Å; Y363-F387 HydrophobicContact CE2-CD2 4.47Å; Y363-F387 HydrophobicContact CE2-CG 4.32Å; Y363-F387 HydrophobicContact CG-CD1 4.32Å; Y363-F387 HydrophobicContact CG-CG 4.33Å; Y363-Y388 HydrophobicContact CG-CE2 4.42Å; Y363-K455 PolarHBondContact O-NZ 3.37Å
364	N	79.9	Confident	74.2	Confident	69 Å²	69	79.7 Å²	79.7	37%	0.369	44%	0.443	S	S	.	.			trans	-82.3	111.3	173.8	-168.4	-6	0	0	0	110.2	D366 D367	N364-D366 VanDerWaalsContact C-N 3.3Å; N364-D366 PolarHBondContact OD1-N 2.9Å; N364-D367 HydrophobicContact CB-CB 4.19Å; N364-D367 WeakPolarHBondContact CB-OD2 3.2Å; N364-D367 PolarHBondContact ND2-OD1 3.24Å; N364-D367 VanDerWaalsContact ND2-OD1 3.14Å; N364-D367 PolarHBondContact ND2-OD2 3.48Å
365	E	72.5	Confident	73	Confident	64 Å²	64	85.2 Å²	85.2	30%	0.299	46%	0.455	S	S	.	.	H	α-helix	trans	-73.6	-25.4	177.4	-74	172.8	-148.4	0	0	111.9	Y363 A368 K369 R384 K455	Y363-E365 HydrophobicContact CD1-CG 3.93Å; Y363-E365 HydrophobicContact CE1-CG 3.9Å; Y363-E365 PolarHBondContact O-N 2.89Å; E365-A368 WeakPolarHBondContact O-CB 2.99Å; E365-A368 PolarHBondContact O-N 3.32Å; E365-K369 WeakPolarHBondContact O-CB 3.41Å; E365-K369 VanDerWaalsContact O-CG 3.24Å; E365-K369 WeakPolarHBondContact O-CG 3.44Å; E365-K369 PolarHBondContact O-N 2.91Å; E365-K369 IonicContact OE2-NZ 2.82Å; E365-R384 IonicContact OE1-NH1 2.73Å; E365-K455 VanDerWaalsContact OE1-CE 3.29Å; E365-K455 WeakPolarHBondContact OE1-CE 3.43Å; E365-K455 IonicContact OE1-NZ 3.6Å; E365-K455 PolarHBondContact OE1-NZ 2.86Å
366	D	68.2	Low	71.7	Confident	100 Å²	100	88.2 Å²	88.2	54%	0.535	47%	0.465	S	S	.	.	H	α-helix	trans	-80.2	-33.8	-174.8	-59.3	-30.4	0	0	0	111.2	N364 A368 K369 A370	N364-D366 VanDerWaalsContact C-N 3.3Å; N364-D366 PolarHBondContact OD1-N 2.9Å; D366-A368 PolarHBondContact O-N 3.42Å; D366-K369 PolarHBondContact O-N 2.87Å; D366-K369 IonicContact OD1-NZ 3.94Å; D366-K369 PolarHBondContact OD1-NZ 3.11Å; D366-K369 VanDerWaalsContact OD1-NZ 3.08Å; D366-A370 VanDerWaalsContact O-CB 3.31Å; D366-A370 WeakPolarHBondContact O-CB 3.38Å; D366-A370 PolarHBondContact O-N 3.26Å
367	D	64	Low	70.8	Confident	115 Å²	115	94.4 Å²	94.4	62%	0.615	47%	0.468	S	S	*	.	H	α-helix	trans	-61.8	-33.7	167.2	-65.8	-19.6	0	0	0	111.5	N364	N364-D367 HydrophobicContact CB-CB 4.19Å; N364-D367 WeakPolarHBondContact CB-OD2 3.2Å; N364-D367 PolarHBondContact ND2-OD1 3.24Å; N364-D367 VanDerWaalsContact ND2-OD1 3.14Å; N364-D367 PolarHBondContact ND2-OD2 3.48Å
368	A	60.4	Low	69.7	Low	17 Å²	17	89.8 Å²	89.8	14%	0.14	47%	0.466	C	S	.	.	H	α-helix	trans	-76.2	-35.5	176	0	0	0	0	0	112.4	Y363 E365 D366 A371	Y363-A368 WeakPolarHBondContact OH-CB 3.41Å; E365-A368 WeakPolarHBondContact O-CB 2.99Å; E365-A368 PolarHBondContact O-N 3.32Å; D366-A368 PolarHBondContact O-N 3.42Å; A368-A371 PolarHBondContact O-N 3.34Å
369	K	60.6	Low	68.9	Low	129 Å²	129	95.9 Å²	95.9	56%	0.561	49%	0.489	S	S	*	.	H	α-helix	trans	-73.6	-37.9	176.6	-74.3	168.7	-163.6	155.8	0	112.8	E365 D366 A371	E365-K369 WeakPolarHBondContact O-CB 3.41Å; E365-K369 VanDerWaalsContact O-CG 3.24Å; E365-K369 WeakPolarHBondContact O-CG 3.44Å; E365-K369 PolarHBondContact O-N 2.91Å; E365-K369 IonicContact OE2-NZ 2.82Å; D366-K369 PolarHBondContact O-N 2.87Å; D366-K369 IonicContact OD1-NZ 3.94Å; D366-K369 PolarHBondContact OD1-NZ 3.11Å; D366-K369 VanDerWaalsContact OD1-NZ 3.08Å; K369-A371 PolarHBondContact O-N 3.1Å
370	A	58.4	Low	68.4	Low	93 Å²	93	95.9 Å²	95.9	77%	0.769	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-12.6	175	0	0	0	0	0	112.7	D366	D366-A370 VanDerWaalsContact O-CB 3.31Å; D366-A370 WeakPolarHBondContact O-CB 3.38Å; D366-A370 PolarHBondContact O-N 3.26Å
371	A	57.2	Low	67.9	Low	59 Å²	59	97.7 Å²	97.7	49%	0.488	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	11.8	-174.2	0	0	0	0	0	116.9	A368 K369	A368-A371 PolarHBondContact O-N 3.34Å; K369-A371 PolarHBondContact O-N 3.1Å
372	R	60.3	Low	67.4	Low	216 Å²	216	101.8 Å²	101.8	82%	0.815	53%	0.532	S	S	*	.			trans	139.8	164.2	151.2	-74.7	155.5	-167.4	-164.3	2.7	118.9	E376	R372-E376 VanDerWaalsContact O-CG 3.25Å; R372-E376 WeakPolarHBondContact O-CG 3.46Å; R372-E376 VanDerWaalsContact O-OE1 3.14Å
373	D	62.4	Low	66.9	Low	145 Å²	145	103.6 Å²	103.6	78%	0.775	54%	0.543	S	S	*	.	S	Bend	trans	-56.4	149.2	-178.8	-63.7	-37.7	0	0	0	121	Q375 E376	D373-Q375 VanDerWaalsContact C-N 3.29Å; D373-Q375 PolarHBondContact O-N 2.91Å; D373-E376 VanDerWaalsContact C-CG 3.45Å; D373-E376 VanDerWaalsContact C-OE1 3.22Å; D373-E376 WeakPolarHBondContact CA-OE1 3.45Å
374	A	50.4	Low	66.9	Low	92 Å²	92	104.2 Å²	104.2	76%	0.76	55%	0.545	S	S	*	.	S	Bend	trans	31	-23.5	160.3	0	0	0	0	0	123	E376	A374-E376 VanDerWaalsContact CA-OE2 3.31Å; A374-E376 WeakPolarHBondContact CA-OE2 3.39Å; A374-E376 PolarHBondContact N-OE1 3.16Å; A374-E376 PolarHBondContact N-OE2 3.39Å; A374-E376 VanDerWaalsContact N-OE2 3.15Å; A374-E376 PolarHBondContact O-N 3.42Å
375	Q	57.6	Low	67.2	Low	170 Å²	170	101.3 Å²	101.3	79%	0.794	53%	0.529	S	S	*	.	S	Bend	trans	-89.7	35.7	171.7	-154.5	161.1	-4.8	0	0	110.7	D373	D373-Q375 VanDerWaalsContact C-N 3.29Å; D373-Q375 PolarHBondContact O-N 2.91Å
376	E	59.4	Low	67.8	Low	97 Å²	97	101.7 Å²	101.7	45%	0.453	53%	0.533	S	S	.	.	H	α-helix	trans	-89.2	-41.3	-144.3	-91.9	157	167.8	0	0	115.6	R372 D373 A374 A380	R372-E376 VanDerWaalsContact O-CG 3.25Å; R372-E376 WeakPolarHBondContact O-CG 3.46Å; R372-E376 VanDerWaalsContact O-OE1 3.14Å; D373-E376 VanDerWaalsContact C-CG 3.45Å; D373-E376 VanDerWaalsContact C-OE1 3.22Å; D373-E376 WeakPolarHBondContact CA-OE1 3.45Å; A374-E376 VanDerWaalsContact CA-OE2 3.31Å; A374-E376 WeakPolarHBondContact CA-OE2 3.39Å; A374-E376 PolarHBondContact N-OE1 3.16Å; A374-E376 PolarHBondContact N-OE2 3.39Å; A374-E376 VanDerWaalsContact N-OE2 3.15Å; A374-E376 PolarHBondContact O-N 3.42Å; E376-A380 WeakPolarHBondContact O-CB 3.24Å; E376-A380 PolarHBondContact O-N 3.43Å
377	R	62.7	Low	68.8	Low	225 Å²	225	98.7 Å²	98.7	85%	0.849	52%	0.515	S	S	*	.	H	α-helix	trans	-72.8	-42.7	-165.5	-69.9	-170.4	-69.6	-100.3	0.4	114.1	A381	R377-A381 WeakPolarHBondContact O-CB 3.47Å; R377-A381 PolarHBondContact O-N 3.48Å
378	S	62.6	Low	70.1	Confident	100 Å²	100	93.4 Å²	93.4	70%	0.699	49%	0.486	S	S	*	.	H	α-helix	trans	-67.3	-37.1	-179.8	173.8	0	0	0	0	111.9	L382	S378-L382 WeakPolarHBondContact O-CB 3.4Å; S378-L382 PolarHBondContact O-N 3.41Å
379	R	69.9	Low	71.5	Confident	187 Å²	187	92.9 Å²	92.9	71%	0.706	48%	0.482	S	S	*	.	H	α-helix	trans	-71.7	-42.2	177.3	-67.3	-178.9	66.4	89.8	1.5	112.1	L382 Q383	R379-L382 PolarHBondContact O-N 2.91Å; R379-Q383 WeakPolarHBondContact O-CB 3.32Å; R379-Q383 PolarHBondContact O-N 3.34Å
380	A	74.8	Confident	72.8	Confident	44 Å²	44	89.4 Å²	89.4	36%	0.364	47%	0.469	S	S	.	.	H	α-helix	trans	-63.1	-42.8	175.5	0	0	0	0	0	111.8	E376 L382 Q383 R384	E376-A380 WeakPolarHBondContact O-CB 3.24Å; E376-A380 PolarHBondContact O-N 3.43Å; A380-L382 PolarHBondContact O-N 2.89Å; A380-Q383 PolarHBondContact O-N 2.52Å; A380-R384 WeakPolarHBondContact O-CB 3.24Å; A380-R384 PolarHBondContact O-N 3.02Å
381	A	77.8	Confident	74.4	Confident	51 Å²	51	85.9 Å²	85.9	42%	0.421	44%	0.436	S	S	.	.	H	α-helix	trans	-62.3	-41	175.5	0	0	0	0	0	112.3	R377 Y385	R377-A381 WeakPolarHBondContact O-CB 3.47Å; R377-A381 PolarHBondContact O-N 3.48Å; A381-Y385 WeakPolarHBondContact O-CB 3.15Å; A381-Y385 PolarHBondContact O-N 3.26Å
382	L	79.9	Confident	76.1	Confident	91 Å²	91	84.5 Å²	84.5	48%	0.476	42%	0.418	S	S	.	.	H	α-helix	trans	-65.5	-44.7	175	179.1	61.3	0	0	0	111.9	S378 R379 A380 R384 Y385 L386	S378-L382 WeakPolarHBondContact O-CB 3.4Å; S378-L382 PolarHBondContact O-N 3.41Å; R379-L382 PolarHBondContact O-N 2.91Å; A380-L382 PolarHBondContact O-N 2.89Å; L382-R384 VanDerWaalsContact C-N 3.35Å; L382-R384 PolarHBondContact O-N 3.2Å; L382-Y385 HydrophobicContact CD1-CD1 4.23Å; L382-Y385 WeakPolarHBondContact O-CB 3.43Å; L382-Y385 PolarHBondContact O-N 3.27Å; L382-L386 HydrophobicContact CD1-CD1 4.35Å; L382-L386 HydrophobicContact CD1-CG 4.21Å; L382-L386 HydrophobicContact CG-CD1 4.14Å; L382-L386 HydrophobicContact CG-CG 4.42Å; L382-L386 VanDerWaalsContact O-CG 3.32Å; L382-L386 WeakPolarHBondContact O-CG 3.25Å; L382-L386 PolarHBondContact O-N 3.41Å
383	Q	80.1	Confident	77.5	Confident	96 Å²	96	76.6 Å²	76.6	45%	0.449	39%	0.392	S	S	.	.	H	α-helix	trans	-63.9	-41.5	178.5	-174.6	178.2	-9.6	0	0	111.7	Y363 R379 A380 L386 F387	Y363-Q383 HydrophobicContact CE2-CG 4.42Å; R379-Q383 WeakPolarHBondContact O-CB 3.32Å; R379-Q383 PolarHBondContact O-N 3.34Å; A380-Q383 PolarHBondContact O-N 2.52Å; Q383-L386 PolarHBondContact O-N 3.34Å; Q383-F387 PolarHBondContact O-N 3.19Å
384	R	86.3	Confident	78.8	Confident	29 Å²	29	70.1 Å²	70.1	11%	0.109	36%	0.357	C	S	.	.	H	α-helix	trans	-58.1	-50.6	171.1	-176.5	-177.3	169.9	86.3	2	110.1	Y363 E365 A380 L382 L386 F387 Y388 A450 F451	Y363-R384 HydrophobicContact CD1-CB 4.4Å; Y363-R384 HydrophobicContact CD1-CG 4.08Å; Y363-R384 HydrophobicContact CE1-CB 3.86Å; Y363-R384 HydrophobicContact CE1-CG 4.02Å; Y363-R384 HydrophobicContact CE2-CB 4.45Å; E365-R384 IonicContact OE1-NH1 2.73Å; A380-R384 WeakPolarHBondContact O-CB 3.24Å; A380-R384 PolarHBondContact O-N 3.02Å; L382-R384 VanDerWaalsContact C-N 3.35Å; L382-R384 PolarHBondContact O-N 3.2Å; R384-L386 PolarHBondContact O-N 3.34Å; R384-F387 WeakPolarHBondContact O-CB 3.47Å; R384-F387 PolarHBondContact O-N 3.07Å; R384-Y388 HydrophobicContact CG-CD2 3.98Å; R384-Y388 HydrophobicContact CG-CE2 3.79Å; R384-Y388 VanDerWaalsContact O-CD2 3.25Å; R384-Y388 WeakPolarHBondContact O-CD2 3.42Å; R384-Y388 PolarHBondContact O-N 2.76Å; R384-A450 PolarHBondContact NH2-O 2.91Å; R384-F451 HydrophobicContact CG-CD2 4.38Å; R384-F451 HydrophobicContact CG-CE2 4.25Å; R384-F451 PolarHBondContact NH2-O 3.22Å
385	Y	86.4	Confident	80.9	Confident	7 Å²	7	65.8 Å²	65.8	3%	0.027	32%	0.321	C	S	.	.	H	α-helix	trans	-56.3	-49.1	177.7	169.5	-115.2	0	0	0	112.3	W294 K297 C298 D301 A381 L382 F387 Y388 C389 F451	W294-Y385 HydrophobicContact CH2-CD2 4.01Å; W294-Y385 AromaticContact CH2-CE2 3.87Å; W294-Y385 HydrophobicContact CH2-CE2 3.87Å; W294-Y385 HydrophobicContact CZ2-CE2 4.47Å; W294-Y385 AromaticContact CZ3-CD2 3.89Å; W294-Y385 HydrophobicContact CZ3-CD2 3.89Å; W294-Y385 AromaticContact CZ3-CE2 3.91Å; W294-Y385 HydrophobicContact CZ3-CE2 3.91Å; K297-Y385 HydrophobicContact CD-CD2 3.69Å; K297-Y385 HydrophobicContact CD-CE2 3.67Å; K297-Y385 HydrophobicContact CD-CG 4.4Å; K297-Y385 HydrophobicContact CG-CD2 4.44Å; K297-Y385 HydrophobicContact CG-CE2 3.98Å; C298-Y385 WeakPolarHBondContact CA-OH 3.41Å; D301-Y385 HydrophobicContact CB-CE1 4.23Å; D301-Y385 WeakPolarHBondContact OD2-CE1 3.39Å; A381-Y385 WeakPolarHBondContact O-CB 3.15Å; A381-Y385 PolarHBondContact O-N 3.26Å; L382-Y385 HydrophobicContact CD1-CD1 4.23Å; L382-Y385 WeakPolarHBondContact O-CB 3.43Å; L382-Y385 PolarHBondContact O-N 3.27Å; Y385-F387 VanDerWaalsContact C-N 3.27Å; Y385-F387 PolarHBondContact O-N 3.25Å; Y385-Y388 PolarHBondContact O-N 2.84Å; Y385-C389 HydrophobicContact CD2-CB 4.23Å; Y385-C389 HydrophobicContact CE1-CB 4.42Å; Y385-C389 HydrophobicContact CE2-CB 3.86Å; Y385-C389 WeakPolarHBondContact O-CB 3.41Å; Y385-C389 PolarHBondContact O-N 3.37Å; Y385-F451 HydrophobicContact CD2-CE2 4.41Å; Y385-F451 HydrophobicContact CD2-CZ 4.36Å
386	L	85.1	Confident	82.5	Confident	73 Å²	73	59.8 Å²	59.8	38%	0.382	29%	0.293	S	S	.	.	H	α-helix	trans	-59.8	-36.9	178.6	-70.1	174	0	0	0	112.3	L382 Q383 R384 N390	L382-L386 HydrophobicContact CD1-CD1 4.35Å; L382-L386 HydrophobicContact CD1-CG 4.21Å; L382-L386 HydrophobicContact CG-CD1 4.14Å; L382-L386 HydrophobicContact CG-CG 4.42Å; L382-L386 VanDerWaalsContact O-CG 3.32Å; L382-L386 WeakPolarHBondContact O-CG 3.25Å; L382-L386 PolarHBondContact O-N 3.41Å; Q383-L386 PolarHBondContact O-N 3.34Å; R384-L386 PolarHBondContact O-N 3.34Å; L386-N390 WeakPolarHBondContact O-CB 3.28Å; L386-N390 PolarHBondContact O-N 3.07Å
387	F	88.4	Confident	84	Confident	36 Å²	36	56.4 Å²	56.4	16%	0.158	28%	0.277	C	S	.	.	H	α-helix	trans	-60	-50.3	176.4	175.3	-85.1	0	0	0	112.4	N361 R362 Y363 Q383 R384 Y385 R391	N361-F387 WeakPolarHBondContact O-CE1 3.36Å; N361-F387 WeakPolarHBondContact O-CZ 3.36Å; R362-F387 VanDerWaalsContact O-CZ 3.28Å; R362-F387 WeakPolarHBondContact O-CZ 3.23Å; Y363-F387 HydrophobicContact CD2-CB 3.71Å; Y363-F387 AromaticContact CD2-CD1 3.95Å; Y363-F387 HydrophobicContact CD2-CD1 3.95Å; Y363-F387 AromaticContact CD2-CD2 3.7Å; Y363-F387 HydrophobicContact CD2-CD2 3.7Å; Y363-F387 HydrophobicContact CD2-CE2 4.25Å; Y363-F387 AromaticContact CD2-CG 3.52Å; Y363-F387 HydrophobicContact CD2-CG 3.52Å; Y363-F387 HydrophobicContact CE2-CB 4.06Å; Y363-F387 HydrophobicContact CE2-CD2 4.47Å; Y363-F387 HydrophobicContact CE2-CG 4.32Å; Y363-F387 HydrophobicContact CG-CD1 4.32Å; Y363-F387 HydrophobicContact CG-CG 4.33Å; Q383-F387 PolarHBondContact O-N 3.19Å; R384-F387 WeakPolarHBondContact O-CB 3.47Å; R384-F387 PolarHBondContact O-N 3.07Å; Y385-F387 VanDerWaalsContact C-N 3.27Å; Y385-F387 PolarHBondContact O-N 3.25Å; F387-R391 PolarHBondContact O-NH1 3.06Å
388	Y	92.2	Very high	85.4	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-74.8	-37.7	-179.6	-71.6	-82.7	0	0	0	111.5	Y363 R384 Y385 R391 Y392 Y447 A450 F451	Y363-Y388 HydrophobicContact CG-CE2 4.42Å; R384-Y388 HydrophobicContact CG-CD2 3.98Å; R384-Y388 HydrophobicContact CG-CE2 3.79Å; R384-Y388 VanDerWaalsContact O-CD2 3.25Å; R384-Y388 WeakPolarHBondContact O-CD2 3.42Å; R384-Y388 PolarHBondContact O-N 2.76Å; Y385-Y388 PolarHBondContact O-N 2.84Å; Y388-R391 PolarHBondContact O-N 3.29Å; Y388-Y392 WeakPolarHBondContact O-CB 3.25Å; Y388-Y392 PolarHBondContact O-N 3.23Å; Y388-Y447 AromaticContact CD1-CD1 3.91Å; Y388-Y447 HydrophobicContact CD1-CD1 3.91Å; Y388-Y447 WeakPolarHBondContact CD1-O 3.46Å; Y388-Y447 HydrophobicContact CE1-CD1 4.35Å; Y388-A450 HydrophobicContact CD1-CB 4.18Å; Y388-A450 HydrophobicContact CE1-CB 3.56Å; Y388-F451 HydrophobicContact CD1-CB 4.11Å; Y388-F451 HydrophobicContact CD2-CB 4.12Å; Y388-F451 AromaticContact CD2-CD2 3.63Å; Y388-F451 HydrophobicContact CD2-CD2 3.63Å; Y388-F451 HydrophobicContact CD2-CG 4.37Å; Y388-F451 HydrophobicContact CE2-CD2 4.36Å; Y388-F451 HydrophobicContact CG-CB 3.82Å; Y388-F451 HydrophobicContact CG-CD2 4.02Å; Y388-F451 HydrophobicContact CG-CG 4.4Å
389	C	89	Confident	86.9	Confident	6 Å²	6	42.1 Å²	42.1	4%	0.041	21%	0.21	C	C	.	.	H	α-helix	trans	-64.5	-43.2	178.4	-174	0	0	0	0	111.7	W294 Y385 R391 Y392 M393	W294-C389 HydrophobicContact CH2-CB 3.95Å; W294-C389 HydrophobicContact CZ2-CB 4.07Å; Y385-C389 HydrophobicContact CD2-CB 4.23Å; Y385-C389 HydrophobicContact CE1-CB 4.42Å; Y385-C389 HydrophobicContact CE2-CB 3.86Å; Y385-C389 WeakPolarHBondContact O-CB 3.41Å; Y385-C389 PolarHBondContact O-N 3.37Å; C389-R391 VanDerWaalsContact C-N 3.3Å; C389-R391 PolarHBondContact O-N 3.35Å; C389-Y392 PolarHBondContact O-N 3.41Å; C389-M393 WeakPolarHBondContact O-CB 3.45Å; C389-M393 VanDerWaalsContact O-CG 3.24Å; C389-M393 WeakPolarHBondContact O-CG 3.24Å; C389-M393 PolarHBondContact O-N 2.83Å
390	N	87.6	Confident	87.9	Confident	57 Å²	57	41.1 Å²	41.1	31%	0.305	21%	0.206	S	C	.	.	H	α-helix	trans	-58.7	-41.8	175.6	-173.9	-98.7	0	0	0	112.3	L386 N394	L386-N390 WeakPolarHBondContact O-CB 3.28Å; L386-N390 PolarHBondContact O-N 3.07Å; N390-N394 WeakPolarHBondContact O-CB 3.45Å; N390-N394 PolarHBondContact O-N 3.08Å
391	R	92.7	Very high	88.7	Confident	19 Å²	19	40.7 Å²	40.7	7%	0.072	20%	0.196	C	C	.	.	H	α-helix	trans	-70.9	-43	178.8	-72.4	172.9	177.3	64	4.2	112.4	V345 C360 F387 Y388 C389 N394 H395 Y447	V345-R391 HydrophobicContact CG1-CG 3.88Å; C360-R391 PolarHBondContact O-NE 2.84Å; C360-R391 PolarHBondContact O-NH2 2.96Å; F387-R391 PolarHBondContact O-NH1 3.06Å; Y388-R391 PolarHBondContact O-N 3.29Å; C389-R391 VanDerWaalsContact C-N 3.3Å; C389-R391 PolarHBondContact O-N 3.35Å; R391-N394 PolarHBondContact O-N 3.34Å; R391-H395 PolarHBondContact O-CD2 3.22Å; R391-H395 VanDerWaalsContact O-CD2 3.27Å; R391-H395 PolarHBondContact O-N 3.25Å; R391-Y447 HydrophobicContact CB-CD1 3.89Å; R391-Y447 HydrophobicContact CB-CD2 3.82Å; R391-Y447 HydrophobicContact CB-CE1 3.93Å; R391-Y447 HydrophobicContact CB-CE2 3.85Å; R391-Y447 HydrophobicContact CB-CG 3.83Å; R391-Y447 HydrophobicContact CG-CE1 4.15Å
392	Y	92.8	Very high	89.4	Confident	29 Å²	29	38.3 Å²	38.3	11%	0.114	18%	0.176	C	C	.	.	H	α-helix	trans	-55.4	-52.9	172	172.1	-93.6	0	0	0	111.3	W294 Y388 C389 N394 H395 M396 M444 V448	W294-Y392 HydrophobicContact CZ2-CD1 4.33Å; W294-Y392 HydrophobicContact CZ2-CG 4.04Å; W294-Y392 AromaticContact NE1-CD1 3.59Å; W294-Y392 AromaticContact NE1-CD2 3.64Å; W294-Y392 AromaticContact NE1-CE1 3.69Å; W294-Y392 AromaticContact NE1-CE2 3.73Å; W294-Y392 AromaticContact NE1-CG 3.59Å; W294-Y392 AromaticContact NE1-CZ 3.78Å; Y388-Y392 WeakPolarHBondContact O-CB 3.25Å; Y388-Y392 PolarHBondContact O-N 3.23Å; C389-Y392 PolarHBondContact O-N 3.41Å; Y392-N394 PolarHBondContact O-N 2.9Å; Y392-H395 PolarHBondContact O-N 3.11Å; Y392-M396 HydrophobicContact CE1-SD 4.47Å; Y392-M396 WeakPolarHBondContact O-CB 3.48Å; Y392-M396 PolarHBondContact O-N 3.41Å; Y392-M444 HydrophobicContact CD2-CG 3.31Å; Y392-M444 WeakPolarHBondContact CD2-O 3.38Å; Y392-M444 HydrophobicContact CD2-SD 4.33Å; Y392-M444 HydrophobicContact CE2-CE 4.33Å; Y392-M444 HydrophobicContact CE2-CG 3.3Å; Y392-M444 HydrophobicContact CE2-SD 3.81Å; Y392-M444 HydrophobicContact CG-CG 4.12Å; Y392-V448 HydrophobicContact CD2-CG2 3.52Å; Y392-V448 HydrophobicContact CE2-CG2 3.76Å; Y392-V448 HydrophobicContact CG-CG2 4.49Å
393	M	89.1	Confident	89.8	Confident	51 Å²	51	39 Å²	39	25%	0.251	18%	0.177	S	C	.	.	H	α-helix	trans	-65.5	-38.2	-179.2	-66.9	-62.9	-80.7	0	0	112	C389 M396 Q397	C389-M393 WeakPolarHBondContact O-CB 3.45Å; C389-M393 VanDerWaalsContact O-CG 3.24Å; C389-M393 WeakPolarHBondContact O-CG 3.24Å; C389-M393 PolarHBondContact O-N 2.83Å; M393-M396 HydrophobicContact CE-CE 3.61Å; M393-M396 PolarHBondContact O-N 3.1Å; M393-M396 HydrophobicContact SD-CE 3.38Å; M393-M396 WeakPolarHBondContact SD-CE 3.43Å; M393-Q397 WeakPolarHBondContact O-CB 3.42Å; M393-Q397 PolarHBondContact O-N 3.44Å
394	N	90.6	Very high	90.3	Very high	9 Å²	9	40.6 Å²	40.6	5%	0.048	18%	0.182	C	C	.	.	H	α-helix	trans	-62	-48.6	175.9	174.1	-92	0	0	0	111.8	K324 N329 W344 V345 N390 R391 Y392 M396 Q397 S398	K324-N394 PolarHBondContact NZ-ND2 3.48Å; N329-N394 PolarHBondContact ND2-OD1 3.35Å; N329-N394 PolarHBondContact OD1-ND2 3.41Å; N329-N394 PolarHBondContact OD1-OD1 2.97Å; N329-N394 VanDerWaalsContact OD1-OD1 3.07Å; W344-N394 VanDerWaalsContact CD1-ND2 3.31Å; V345-N394 HydrophobicContact CG2-CB 4.46Å; N390-N394 WeakPolarHBondContact O-CB 3.45Å; N390-N394 PolarHBondContact O-N 3.08Å; R391-N394 PolarHBondContact O-N 3.34Å; Y392-N394 PolarHBondContact O-N 2.9Å; N394-M396 VanDerWaalsContact C-N 3.34Å; N394-M396 PolarHBondContact O-N 3.43Å; N394-Q397 PolarHBondContact O-N 3.44Å; N394-S398 WeakPolarHBondContact O-CB 3.43Å; N394-S398 PolarHBondContact O-N 2.87Å; N394-S398 PolarHBondContact O-OG 2.87Å
395	H	94.1	Very high	90.5	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-65.2	-37.2	176.7	-78.8	-63.3	0	0	0	111.9	R391 Y392 Q397 S398 L399 R440 M444 Y447 E470	R391-H395 PolarHBondContact O-CD2 3.22Å; R391-H395 VanDerWaalsContact O-CD2 3.27Å; R391-H395 PolarHBondContact O-N 3.25Å; Y392-H395 PolarHBondContact O-N 3.11Å; H395-Q397 VanDerWaalsContact C-N 3.34Å; H395-Q397 PolarHBondContact O-N 2.96Å; H395-S398 PolarHBondContact O-N 3.47Å; H395-L399 WeakPolarHBondContact O-CB 3.47Å; H395-L399 PolarHBondContact O-N 3.29Å; H395-R440 PolarHBondContact CE1-NH1 3.01Å; H395-R440 PolarHBondContact ND1-NH1 3.34Å; H395-M444 HydrophobicContact CB-CB 3.99Å; H395-Y447 AromaticContact CD2-CD2 3.87Å; H395-Y447 AromaticContact CD2-CE2 3.53Å; H395-Y447 AromaticContact NE2-CE2 3.54Å; H395-E470 IonicContact CE1-OE2 2.76Å; H395-E470 IonicContact NE2-OE2 2.78Å; H395-E470 PolarHBondContact NE2-OE2 2.76Å
396	M	91.6	Very high	90.8	Very high	43 Å²	43	42.7 Å²	42.7	21%	0.212	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-43	173.1	-174	176.6	63.1	0	0	111.8	Y392 M393 N394 R400 M444	Y392-M396 HydrophobicContact CE1-SD 4.47Å; Y392-M396 WeakPolarHBondContact O-CB 3.48Å; Y392-M396 PolarHBondContact O-N 3.41Å; M393-M396 HydrophobicContact CE-CE 3.61Å; M393-M396 PolarHBondContact O-N 3.1Å; M393-M396 HydrophobicContact SD-CE 3.38Å; M393-M396 WeakPolarHBondContact SD-CE 3.43Å; N394-M396 VanDerWaalsContact C-N 3.34Å; N394-M396 PolarHBondContact O-N 3.43Å; M396-R400 WeakPolarHBondContact O-CG 3.44Å; M396-R400 PolarHBondContact O-N 2.82Å; M396-M444 HydrophobicContact CB-SD 3.65Å; M396-M444 HydrophobicContact CG-SD 4.02Å
397	Q	90.2	Very high	91	Very high	26 Å²	26	42.5 Å²	42.5	12%	0.121	20%	0.2	C	C	.	.	H	α-helix	trans	-69.1	-43.3	176.9	-175.6	176.5	12.1	0	0	111.7	A310 N311 M393 N394 H395 L399 R400 F401	A310-Q397 PolarHBondContact O-OE1 2.98Å; N311-Q397 PolarHBondContact OD1-NE2 2.59Å; M393-Q397 WeakPolarHBondContact O-CB 3.42Å; M393-Q397 PolarHBondContact O-N 3.44Å; N394-Q397 PolarHBondContact O-N 3.44Å; H395-Q397 VanDerWaalsContact C-N 3.34Å; H395-Q397 PolarHBondContact O-N 2.96Å; Q397-L399 VanDerWaalsContact C-N 3.3Å; Q397-L399 PolarHBondContact O-N 3.49Å; Q397-R400 WeakPolarHBondContact O-CB 3.37Å; Q397-R400 PolarHBondContact O-N 3.02Å; Q397-F401 HydrophobicContact CG-CD2 4.08Å; Q397-F401 HydrophobicContact CG-CE2 3.6Å; Q397-F401 HydrophobicContact CG-CZ 4.4Å; Q397-F401 WeakPolarHBondContact O-CD2 3.37Å; Q397-F401 PolarHBondContact O-N 2.85Å; Q397-F401 VanDerWaalsContact O-N 3.15Å
398	S	93.3	Very high	91	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-56.9	-44.6	175	-73.1	0	0	0	0	111.7	K324 G327 N394 H395 R400 F401 E402	K324-S398 PolarHBondContact NZ-OG 3.08Å; G327-S398 WeakPolarHBondContact O-CB 3.23Å; G327-S398 PolarHBondContact O-OG 3.49Å; N394-S398 WeakPolarHBondContact O-CB 3.43Å; N394-S398 PolarHBondContact O-N 2.87Å; N394-S398 PolarHBondContact O-OG 2.87Å; H395-S398 PolarHBondContact O-N 3.47Å; S398-R400 VanDerWaalsContact C-N 3.27Å; S398-R400 PolarHBondContact O-N 3.36Å; S398-F401 WeakPolarHBondContact O-CB 3.37Å; S398-F401 PolarHBondContact O-N 3.37Å; S398-E402 WeakPolarHBondContact O-CG 3.5Å; S398-E402 PolarHBondContact O-N 3.47Å
399	L	93.3	Very high	90.8	Very high	26 Å²	26	46.2 Å²	46.2	14%	0.136	22%	0.219	C	C	.	.	H	α-helix	trans	-58.9	-36.5	175.3	-179.6	60.5	0	0	0	112.5	H395 Q397 E402 H403 C437 R440	H395-L399 WeakPolarHBondContact O-CB 3.47Å; H395-L399 PolarHBondContact O-N 3.29Å; Q397-L399 VanDerWaalsContact C-N 3.3Å; Q397-L399 PolarHBondContact O-N 3.49Å; L399-E402 PolarHBondContact O-N 2.91Å; L399-H403 PolarHBondContact O-N 2.67Å; L399-H403 VanDerWaalsContact O-N 3.16Å; L399-H403 PolarHBondContact O-ND1 2.98Å; L399-C437 HydrophobicContact CD1-CB 3.7Å; L399-R440 HydrophobicContact CB-CB 4.14Å; L399-R440 HydrophobicContact CD1-CB 4.11Å
400	R	90.9	Very high	90.8	Very high	166 Å²	166	52 Å²	52	63%	0.626	24%	0.243	S	C	*	.	H	α-helix	trans	-65.5	-37.6	174.4	-68.4	177.4	-176.5	175	2.3	112.1	M396 Q397 S398	M396-R400 WeakPolarHBondContact O-CG 3.44Å; M396-R400 PolarHBondContact O-N 2.82Å; Q397-R400 WeakPolarHBondContact O-CB 3.37Å; Q397-R400 PolarHBondContact O-N 3.02Å; S398-R400 VanDerWaalsContact C-N 3.27Å; S398-R400 PolarHBondContact O-N 3.36Å
401	F	91.3	Very high	91	Very high	35 Å²	35	54.8 Å²	54.8	15%	0.154	26%	0.255	C	S	.	.	H	α-helix	trans	-70.5	-40.9	175.2	-69.9	-57.4	0	0	0	111.8	K324 G326 Q397 S398 H403 K404	K324-F401 HydrophobicContact CD-CE2 4.19Å; K324-F401 HydrophobicContact CG-CE2 4.25Å; K324-F401 WeakPolarHBondContact O-CZ 3.34Å; G326-F401 WeakPolarHBondContact O-CD2 3.44Å; Q397-F401 HydrophobicContact CG-CD2 4.08Å; Q397-F401 HydrophobicContact CG-CE2 3.6Å; Q397-F401 HydrophobicContact CG-CZ 4.4Å; Q397-F401 WeakPolarHBondContact O-CD2 3.37Å; Q397-F401 PolarHBondContact O-N 2.85Å; Q397-F401 VanDerWaalsContact O-N 3.15Å; S398-F401 WeakPolarHBondContact O-CB 3.37Å; S398-F401 PolarHBondContact O-N 3.37Å; F401-H403 VanDerWaalsContact C-N 3.27Å; F401-H403 PolarHBondContact O-N 3.4Å; F401-K404 WeakPolarHBondContact O-CA 3.35Å; F401-K404 WeakPolarHBondContact O-CB 3.39Å; F401-K404 PolarHBondContact O-N 3.46Å
402	E	92.5	Very high	90.7	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.4	-32.1	178.2	-71.4	172.1	179.1	0	0	113.2	S398 L399 K404 L405 L436 R440	S398-E402 WeakPolarHBondContact O-CG 3.5Å; S398-E402 PolarHBondContact O-N 3.47Å; L399-E402 PolarHBondContact O-N 2.91Å; E402-K404 PolarHBondContact O-N 3.31Å; E402-K404 VanDerWaalsContact O-N 3.11Å; E402-L405 HydrophobicContact CB-CD1 4.28Å; E402-L405 HydrophobicContact CG-CD1 4.18Å; E402-L405 WeakPolarHBondContact O-CA 3.27Å; E402-L405 WeakPolarHBondContact O-CB 3.38Å; E402-L405 PolarHBondContact O-N 2.8Å; E402-L436 HydrophobicContact CB-CD2 4.48Å; E402-L436 HydrophobicContact CG-CD2 3.81Å; E402-L436 HydrophobicContact CG-CG 4.23Å; E402-R440 WeakPolarHBondContact OE1-CG 3.38Å; E402-R440 IonicContact OE1-CZ 3.36Å; E402-R440 IonicContact OE1-NE 3.8Å; E402-R440 PolarHBondContact OE1-NE 3.34Å; E402-R440 IonicContact OE1-NH2 3.27Å; E402-R440 WeakPolarHBondContact OE2-CG 3.13Å
403	H	89	Confident	90.6	Very high	105 Å²	105	55.9 Å²	55.9	49%	0.486	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.4	171.8	-73	137.2	0	0	0	113.1	L399 F401 L405 Y406	L399-H403 PolarHBondContact O-N 2.67Å; L399-H403 VanDerWaalsContact O-N 3.16Å; L399-H403 PolarHBondContact O-ND1 2.98Å; F401-H403 VanDerWaalsContact C-N 3.27Å; F401-H403 PolarHBondContact O-N 3.4Å; H403-L405 VanDerWaalsContact C-N 3.3Å; H403-Y406 WeakPolarHBondContact O-CD2 3.44Å
404	K	89.1	Confident	90.6	Very high	130 Å²	130	57.7 Å²	57.7	57%	0.565	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-21.2	173.5	-55.1	179.2	-178.7	176.4	0	112.2	F401 E402 Y406 A407	F401-K404 WeakPolarHBondContact O-CA 3.35Å; F401-K404 WeakPolarHBondContact O-CB 3.39Å; F401-K404 PolarHBondContact O-N 3.46Å; E402-K404 PolarHBondContact O-N 3.31Å; E402-K404 VanDerWaalsContact O-N 3.11Å; K404-Y406 PolarHBondContact O-N 2.92Å; K404-A407 PolarHBondContact O-N 3.44Å
405	L	90.9	Very high	90.5	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-64.6	-26.7	177.1	-65.2	173.2	0	0	0	112.4	E402 H403 A407 Q408 V409 V433 L436 L480 E481	E402-L405 HydrophobicContact CB-CD1 4.28Å; E402-L405 HydrophobicContact CG-CD1 4.18Å; E402-L405 WeakPolarHBondContact O-CA 3.27Å; E402-L405 WeakPolarHBondContact O-CB 3.38Å; E402-L405 PolarHBondContact O-N 2.8Å; H403-L405 VanDerWaalsContact C-N 3.3Å; L405-A407 PolarHBondContact O-N 3.45Å; L405-Q408 PolarHBondContact O-N 3.44Å; L405-Q408 VanDerWaalsContact O-N 3.14Å; L405-V409 WeakPolarHBondContact O-CB 3.49Å; L405-V409 PolarHBondContact O-N 2.94Å; L405-V433 HydrophobicContact CB-CG1 4.24Å; L405-V433 HydrophobicContact CB-CG2 4.22Å; L405-L436 HydrophobicContact CD1-CD2 3.91Å; L405-L480 HydrophobicContact CD1-CB 4.46Å; L405-E481 HydrophobicContact CD1-CG 4.25Å; L405-E481 HydrophobicContact CD2-CG 3.84Å
406	Y	92.2	Very high	90.1	Very high	76 Å²	76	60.1 Å²	60.1	30%	0.298	28%	0.28	S	S	.	.	H	α-helix	trans	-55.9	-37.8	175.1	-78.5	-74.4	0	0	0	112.6	H403 K404 K410 K430 V433 D434	H403-Y406 WeakPolarHBondContact O-CD2 3.44Å; K404-Y406 PolarHBondContact O-N 2.92Å; Y406-K410 VanDerWaalsContact O-CB 3.28Å; Y406-K410 WeakPolarHBondContact O-CB 3.42Å; Y406-K410 PolarHBondContact O-N 3.21Å; Y406-K430 HydrophobicContact CE1-CG 4.26Å; Y406-V433 HydrophobicContact CD1-CB 4.45Å; Y406-V433 HydrophobicContact CD1-CG1 4.05Å; Y406-V433 HydrophobicContact CD2-CG1 3.86Å; Y406-V433 HydrophobicContact CE1-CB 4.16Å; Y406-V433 HydrophobicContact CE1-CG1 3.85Å; Y406-V433 HydrophobicContact CE2-CG1 3.64Å; Y406-V433 HydrophobicContact CG-CG1 4.06Å; Y406-D434 VanDerWaalsContact CE1-OD1 3.24Å; Y406-D434 WeakPolarHBondContact CE1-OD1 3.44Å; Y406-D434 VanDerWaalsContact CZ-OD1 3.28Å; Y406-D434 PolarHBondContact OH-OD1 3.16Å
407	A	90.3	Very high	90	Very high	70 Å²	70	61.4 Å²	61.4	58%	0.579	29%	0.285	S	S	*	.	H	α-helix	trans	-69.3	-44.2	177.7	0	0	0	0	0	111.6	K404 L405 K410 Q411	K404-A407 PolarHBondContact O-N 3.44Å; L405-A407 PolarHBondContact O-N 3.45Å; A407-K410 PolarHBondContact O-N 3.17Å; A407-Q411 PolarHBondContact O-N 3.28Å
408	Q	87.4	Confident	90	Very high	107 Å²	107	67.5 Å²	67.5	50%	0.5	31%	0.314	S	S	.	.	H	α-helix	trans	-66	-44.7	179.3	-60.7	178.9	12.3	0	0	111.6	L405 K410 Q411 K412	L405-Q408 PolarHBondContact O-N 3.44Å; L405-Q408 VanDerWaalsContact O-N 3.14Å; Q408-K410 VanDerWaalsContact C-N 3.33Å; Q408-K410 PolarHBondContact O-N 2.97Å; Q408-Q411 WeakPolarHBondContact O-CB 3.11Å; Q408-Q411 PolarHBondContact O-N 2.99Å; Q408-K412 PolarHBondContact O-N 3.34Å
409	V	88.2	Confident	89.6	Confident	10 Å²	10	73.4 Å²	73.4	6%	0.061	34%	0.341	C	S	.	.	H	α-helix	trans	-62.6	-40.2	175.7	156.7	0	0	0	0	111.2	L405 Q411 K412 M413 L429 V433	L405-V409 WeakPolarHBondContact O-CB 3.49Å; L405-V409 PolarHBondContact O-N 2.94Å; V409-Q411 VanDerWaalsContact C-N 3.33Å; V409-Q411 PolarHBondContact O-N 3.39Å; V409-K412 PolarHBondContact O-N 2.94Å; V409-M413 HydrophobicContact CG1-CG 4.11Å; V409-M413 HydrophobicContact CG1-SD 3.69Å; V409-M413 WeakPolarHBondContact O-CB 2.95Å; V409-M413 WeakPolarHBondContact O-CG 3.35Å; V409-M413 PolarHBondContact O-N 3.03Å; V409-L429 HydrophobicContact CG1-CB 3.47Å; V409-L429 VanDerWaalsContact CG1-CB 3.47Å; V409-L429 HydrophobicContact CG2-CB 4.45Å; V409-V433 HydrophobicContact CB-CG2 4.24Å; V409-V433 HydrophobicContact CG2-CG2 3.6Å
410	K	90.8	Very high	89.1	Confident	128 Å²	128	79.8 Å²	79.8	56%	0.557	38%	0.375	S	S	*	.	H	α-helix	trans	-58.6	-46.4	175.7	-175	-175.9	175.4	-167.6	0	111.4	Y406 A407 Q408 K412 M413 E414	Y406-K410 VanDerWaalsContact O-CB 3.28Å; Y406-K410 WeakPolarHBondContact O-CB 3.42Å; Y406-K410 PolarHBondContact O-N 3.21Å; A407-K410 PolarHBondContact O-N 3.17Å; Q408-K410 VanDerWaalsContact C-N 3.33Å; Q408-K410 PolarHBondContact O-N 2.97Å; K410-K412 VanDerWaalsContact C-N 3.35Å; K410-K412 PolarHBondContact O-N 3.25Å; K410-M413 PolarHBondContact O-N 2.89Å; K410-E414 VanDerWaalsContact CE-OE1 3.29Å; K410-E414 WeakPolarHBondContact CE-OE1 3.5Å; K410-E414 WeakPolarHBondContact O-CG 3.4Å; K410-E414 PolarHBondContact O-N 2.98Å
411	Q	89.9	Confident	88.8	Confident	116 Å²	116	73.4 Å²	73.4	54%	0.542	35%	0.353	S	S	.	.	H	α-helix	trans	-60.3	-44.8	175.2	-177.7	-176.9	-10.5	0	0	111.4	A407 Q408 V409 M413 E414 E415	A407-Q411 PolarHBondContact O-N 3.28Å; Q408-Q411 WeakPolarHBondContact O-CB 3.11Å; Q408-Q411 PolarHBondContact O-N 2.99Å; V409-Q411 VanDerWaalsContact C-N 3.33Å; V409-Q411 PolarHBondContact O-N 3.39Å; Q411-M413 VanDerWaalsContact C-N 3.33Å; Q411-M413 PolarHBondContact O-N 2.95Å; Q411-E414 WeakPolarHBondContact O-CB 3.07Å; Q411-E414 PolarHBondContact O-N 3.49Å; Q411-E414 VanDerWaalsContact O-N 3.16Å; Q411-E415 PolarHBondContact NE2-OE1 3.2Å; Q411-E415 PolarHBondContact O-N 3.17Å
412	K	87.3	Confident	88.7	Confident	49 Å²	49	74.2 Å²	74.2	21%	0.213	36%	0.363	C	S	.	.	H	α-helix	trans	-63.3	-38.6	178.1	-159.8	75.2	-164.2	160	0	112.6	Q408 V409 K410 E414 E415 M416 L429	Q408-K412 PolarHBondContact O-N 3.34Å; V409-K412 PolarHBondContact O-N 2.94Å; K410-K412 VanDerWaalsContact C-N 3.35Å; K410-K412 PolarHBondContact O-N 3.25Å; K412-E414 VanDerWaalsContact C-N 3.33Å; K412-E415 WeakPolarHBondContact CD-OE2 3.4Å; K412-E415 IonicContact NZ-OE2 3.39Å; K412-E415 PolarHBondContact NZ-OE2 2.86Å; K412-E415 PolarHBondContact O-N 3.2Å; K412-M416 VanDerWaalsContact O-CG 3.27Å; K412-M416 WeakPolarHBondContact O-CG 3.28Å; K412-M416 PolarHBondContact O-N 3.3Å; K412-L429 HydrophobicContact CB-CD1 4.22Å; K412-L429 HydrophobicContact CG-CD1 4.23Å
413	M	89.8	Confident	88.5	Confident	21 Å²	21	82.5 Å²	82.5	10%	0.103	39%	0.394	C	S	.	.	H	α-helix	trans	-62.1	-40.6	174.4	-70.7	170.7	65.8	0	0	111.3	V409 K410 Q411 M416 Q417 V426 L429 K430	V409-M413 HydrophobicContact CG1-CG 4.11Å; V409-M413 HydrophobicContact CG1-SD 3.69Å; V409-M413 WeakPolarHBondContact O-CB 2.95Å; V409-M413 WeakPolarHBondContact O-CG 3.35Å; V409-M413 PolarHBondContact O-N 3.03Å; K410-M413 PolarHBondContact O-N 2.89Å; Q411-M413 VanDerWaalsContact C-N 3.33Å; Q411-M413 PolarHBondContact O-N 2.95Å; M413-M416 PolarHBondContact O-N 3.15Å; M413-Q417 VanDerWaalsContact O-CG 3.28Å; M413-Q417 WeakPolarHBondContact O-CG 3.28Å; M413-Q417 PolarHBondContact O-N 3.38Å; M413-V426 HydrophobicContact CB-CB 4.07Å; M413-V426 HydrophobicContact CB-CG2 4.09Å; M413-V426 HydrophobicContact CE-CB 4.23Å; M413-V426 HydrophobicContact CE-CG2 3.75Å; M413-V426 WeakPolarHBondContact CE-O 3.5Å; M413-V426 HydrophobicContact CG-CB 4.04Å; M413-V426 HydrophobicContact CG-CG2 4.35Å; M413-L429 HydrophobicContact CG-CB 4Å; M413-L429 HydrophobicContact CG-CD1 3.72Å; M413-L429 HydrophobicContact CG-CG 4.4Å; M413-L429 HydrophobicContact SD-CB 4.29Å; M413-K430 HydrophobicContact SD-CB 4.25Å
414	E	90.9	Very high	88.3	Confident	89 Å²	89	83.7 Å²	83.7	42%	0.416	40%	0.403	S	S	.	.	H	α-helix	trans	-65.2	-42	175.6	-70.2	168.4	-174.1	0	0	111.6	K410 Q411 K412 Q417 Q418	K410-E414 VanDerWaalsContact CE-OE1 3.29Å; K410-E414 WeakPolarHBondContact CE-OE1 3.5Å; K410-E414 WeakPolarHBondContact O-CG 3.4Å; K410-E414 PolarHBondContact O-N 2.98Å; Q411-E414 WeakPolarHBondContact O-CB 3.07Å; Q411-E414 PolarHBondContact O-N 3.49Å; Q411-E414 VanDerWaalsContact O-N 3.16Å; K412-E414 VanDerWaalsContact C-N 3.33Å; E414-Q417 PolarHBondContact O-N 3.23Å; E414-Q418 WeakPolarHBondContact O-CG 3.03Å; E414-Q418 PolarHBondContact O-N 3.23Å; E414-Q418 VanDerWaalsContact O-N 3.15Å
415	E	87.9	Confident	88.2	Confident	62 Å²	62	81.2 Å²	81.2	29%	0.29	39%	0.394	S	S	.	.	H	α-helix	trans	-59.4	-47.3	172.6	-70.2	171.1	-165	0	0	111.4	Q411 K412 Q417 Q418 H419	Q411-E415 PolarHBondContact NE2-OE1 3.2Å; Q411-E415 PolarHBondContact O-N 3.17Å; K412-E415 WeakPolarHBondContact CD-OE2 3.4Å; K412-E415 IonicContact NZ-OE2 3.39Å; K412-E415 PolarHBondContact NZ-OE2 2.86Å; K412-E415 PolarHBondContact O-N 3.2Å; E415-Q417 VanDerWaalsContact C-N 3.27Å; E415-Q417 PolarHBondContact O-N 3Å; E415-Q418 WeakPolarHBondContact O-CB 3.21Å; E415-Q418 PolarHBondContact O-N 3.46Å; E415-Q418 VanDerWaalsContact O-N 3.14Å; E415-H419 PolarHBondContact O-CD2 3.37Å; E415-H419 PolarHBondContact O-N 3.13Å
416	M	86.4	Confident	88.1	Confident	0 Å²	0	81 Å²	81	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-61.5	-35.8	178.3	-71.8	178.6	87.4	0	0	112.3	K412 M413 H419 M421 V426 F428 L429 L489	K412-M416 VanDerWaalsContact O-CG 3.27Å; K412-M416 WeakPolarHBondContact O-CG 3.28Å; K412-M416 PolarHBondContact O-N 3.3Å; M413-M416 PolarHBondContact O-N 3.15Å; M416-H419 CarbonylContact O-C 3.45Å; M416-H419 PolarHBondContact O-N 3.24Å; M416-H419 VanDerWaalsContact O-N 3.16Å; M416-M421 HydrophobicContact CB-SD 3.99Å; M416-M421 HydrophobicContact CE-CE 3.87Å; M416-M421 HydrophobicContact CE-SD 3.32Å; M416-M421 WeakPolarHBondContact CE-SD 3.36Å; M416-M421 HydrophobicContact CG-SD 4.36Å; M416-M421 WeakPolarHBondContact O-CB 3.19Å; M416-M421 PolarHBondContact O-N 3.44Å; M416-V426 HydrophobicContact CB-CG1 3.65Å; M416-F428 HydrophobicContact CE-CE1 4.05Å; M416-F428 HydrophobicContact CE-CZ 3.79Å; M416-F428 HydrophobicContact SD-CZ 4.31Å; M416-L429 HydrophobicContact SD-CD1 3.68Å; M416-L489 HydrophobicContact CG-CD2 3.77Å
417	Q	89.1	Confident	88	Confident	70 Å²	70	79.8 Å²	79.8	33%	0.327	39%	0.39	S	S	.	.	H	α-helix	trans	-66	-37	175.6	-75.3	173	-7.2	0	0	112.9	M413 E414 E415 H419 N420 M421 V426	M413-Q417 VanDerWaalsContact O-CG 3.28Å; M413-Q417 WeakPolarHBondContact O-CG 3.28Å; M413-Q417 PolarHBondContact O-N 3.38Å; E414-Q417 PolarHBondContact O-N 3.23Å; E415-Q417 VanDerWaalsContact C-N 3.27Å; E415-Q417 PolarHBondContact O-N 3Å; Q417-H419 PolarHBondContact O-N 3.32Å; Q417-N420 PolarHBondContact O-N 2.8Å; Q417-M421 WeakPolarHBondContact CA-O 3.44Å; Q417-V426 HydrophobicContact CG-CG1 4.15Å; Q417-V426 HydrophobicContact CG-CG2 4.02Å
418	Q	88.9	Confident	88.2	Confident	154 Å²	154	77 Å²	77	72%	0.72	36%	0.364	S	S	*	.	H	α-helix	trans	-64.9	-24.4	174.4	-66.6	172.7	16.2	0	0	112.1	E414 E415 N420	E414-Q418 WeakPolarHBondContact O-CG 3.03Å; E414-Q418 PolarHBondContact O-N 3.23Å; E414-Q418 VanDerWaalsContact O-N 3.15Å; E415-Q418 WeakPolarHBondContact O-CB 3.21Å; E415-Q418 PolarHBondContact O-N 3.46Å; E415-Q418 VanDerWaalsContact O-N 3.14Å; Q418-N420 PolarHBondContact O-N 3.19Å
419	H	85.4	Confident	88.4	Confident	124 Å²	124	71.9 Å²	71.9	57%	0.574	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	39.7	176.6	-68.9	-72.2	0	0	0	113.4	E415 M416 Q417 M421 L489	E415-H419 PolarHBondContact O-CD2 3.37Å; E415-H419 PolarHBondContact O-N 3.13Å; M416-H419 CarbonylContact O-C 3.45Å; M416-H419 PolarHBondContact O-N 3.24Å; M416-H419 VanDerWaalsContact O-N 3.16Å; Q417-H419 PolarHBondContact O-N 3.32Å; H419-M421 PolarHBondContact O-N 3.16Å; H419-L489 HydrophobicContact CB-CD1 3.64Å
420	N	83.5	Confident	88.7	Confident	159 Å²	159	76 Å²	76	85%	0.85	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	17.2	174	-62.5	-31.6	0	0	0	116.7	Q417 Q418	Q417-N420 PolarHBondContact O-N 2.8Å; Q418-N420 PolarHBondContact O-N 3.19Å
421	M	85	Confident	88.9	Confident	33 Å²	33	74.3 Å²	74.3	16%	0.163	35%	0.35	C	S	.	.			trans	-88.9	136.7	169.3	-62.1	-172.2	66.2	0	0	111.4	M416 Q417 H419 E425 V426 F428 K493	M416-M421 HydrophobicContact CB-SD 3.99Å; M416-M421 HydrophobicContact CE-CE 3.87Å; M416-M421 HydrophobicContact CE-SD 3.32Å; M416-M421 WeakPolarHBondContact CE-SD 3.36Å; M416-M421 HydrophobicContact CG-SD 4.36Å; M416-M421 WeakPolarHBondContact O-CB 3.19Å; M416-M421 PolarHBondContact O-N 3.44Å; Q417-M421 WeakPolarHBondContact CA-O 3.44Å; H419-M421 PolarHBondContact O-N 3.16Å; M421-E425 HydrophobicContact CB-CB 4.42Å; M421-E425 HydrophobicContact CE-CB 3.84Å; M421-V426 HydrophobicContact CB-CG1 3.89Å; M421-V426 HydrophobicContact CE-CG1 4.37Å; M421-F428 HydrophobicContact CE-CE1 4.41Å; M421-K493 HydrophobicContact CE-CD 4.28Å
422	S	88.5	Confident	89.2	Confident	52 Å²	52	68.8 Å²	68.8	36%	0.364	33%	0.325	S	S	.	.			trans	-71.6	162.3	176.2	67.4	0	0	0	0	112.3	I424 E425 V426	S422-I424 PolarHBondContact O-N 3.41Å; S422-E425 WeakPolarHBondContact CB-OE2 3.28Å; S422-E425 PolarHBondContact N-OE2 3.48Å; S422-E425 PolarHBondContact O-N 3Å; S422-E425 VanDerWaalsContact O-N 3.07Å; S422-E425 VanDerWaalsContact OG-CG 3.23Å; S422-E425 WeakPolarHBondContact OG-CG 3.26Å; S422-E425 PolarHBondContact OG-N 3.31Å; S422-E425 PolarHBondContact OG-OE2 3.26Å; S422-V426 PolarHBondContact O-N 3.39Å
423	W	87.1	Confident	89.7	Confident	173 Å²	173	66.5 Å²	66.5	66%	0.655	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-33.5	175.7	177.3	92.1	0	0	0	113.4	V426 Q427	W423-V426 VanDerWaalsContact O-CG2 3.28Å; W423-V426 WeakPolarHBondContact O-CG2 3.29Å; W423-Q427 HydrophobicContact CH2-CG 4.38Å; W423-Q427 HydrophobicContact CZ3-CG 4.35Å; W423-Q427 WeakPolarHBondContact O-CG 3.4Å; W423-Q427 PolarHBondContact O-NE2 3.05Å
424	I	86	Confident	89.9	Confident	131 Å²	131	67.6 Å²	67.6	67%	0.672	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-42.4	178.1	-58.7	176.1	0	0	0	110	S422 V426 Q427	S422-I424 PolarHBondContact O-N 3.41Å; I424-V426 PolarHBondContact O-N 3.33Å; I424-Q427 PolarHBondContact O-N 3.29Å
425	E	85.9	Confident	90.2	Very high	78 Å²	78	63.6 Å²	63.6	36%	0.364	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-17.7	-175.1	-74.4	172.5	113.7	0	0	114.4	M421 S422 F428 K493	M421-E425 HydrophobicContact CB-CB 4.42Å; M421-E425 HydrophobicContact CE-CB 3.84Å; S422-E425 WeakPolarHBondContact CB-OE2 3.28Å; S422-E425 PolarHBondContact N-OE2 3.48Å; S422-E425 PolarHBondContact O-N 3Å; S422-E425 VanDerWaalsContact O-N 3.07Å; S422-E425 VanDerWaalsContact OG-CG 3.23Å; S422-E425 WeakPolarHBondContact OG-CG 3.26Å; S422-E425 PolarHBondContact OG-N 3.31Å; S422-E425 PolarHBondContact OG-OE2 3.26Å; E425-F428 WeakPolarHBondContact O-CD1 3.45Å; E425-F428 VanDerWaalsContact O-CE1 3.26Å; E425-F428 WeakPolarHBondContact O-CE1 3.34Å; E425-K493 IonicContact OE1-NZ 3.53Å
426	V	88.9	Confident	90.7	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-10.1	178	-62.2	0	0	0	0	113.5	M413 M416 Q417 M421 S422 W423 I424 F428 L429	M413-V426 HydrophobicContact CB-CB 4.07Å; M413-V426 HydrophobicContact CB-CG2 4.09Å; M413-V426 HydrophobicContact CE-CB 4.23Å; M413-V426 HydrophobicContact CE-CG2 3.75Å; M413-V426 WeakPolarHBondContact CE-O 3.5Å; M413-V426 HydrophobicContact CG-CB 4.04Å; M413-V426 HydrophobicContact CG-CG2 4.35Å; M416-V426 HydrophobicContact CB-CG1 3.65Å; Q417-V426 HydrophobicContact CG-CG1 4.15Å; Q417-V426 HydrophobicContact CG-CG2 4.02Å; M421-V426 HydrophobicContact CB-CG1 3.89Å; M421-V426 HydrophobicContact CE-CG1 4.37Å; S422-V426 PolarHBondContact O-N 3.39Å; W423-V426 VanDerWaalsContact O-CG2 3.28Å; W423-V426 WeakPolarHBondContact O-CG2 3.29Å; I424-V426 PolarHBondContact O-N 3.33Å; V426-F428 PolarHBondContact O-N 3.3Å; V426-L429 PolarHBondContact O-N 2.99Å
427	Q	91.4	Very high	91.1	Very high	50 Å²	50	61.2 Å²	61.2	23%	0.234	29%	0.292	C	S	.	.	H	α-helix	trans	-61.6	-20.2	-178	-67	-53.5	-53.3	0	0	114	W423 I424 L429 K430 K431	W423-Q427 HydrophobicContact CH2-CG 4.38Å; W423-Q427 HydrophobicContact CZ3-CG 4.35Å; W423-Q427 WeakPolarHBondContact O-CG 3.4Å; W423-Q427 PolarHBondContact O-NE2 3.05Å; I424-Q427 PolarHBondContact O-N 3.29Å; Q427-L429 PolarHBondContact O-N 3.47Å; Q427-K430 PolarHBondContact O-N 3.36Å; Q427-K431 PolarHBondContact O-N 3.31Å
428	F	92.9	Very high	91.4	Very high	11 Å²	11	61.3 Å²	61.3	5%	0.048	29%	0.293	C	S	.	.	H	α-helix	trans	-60.6	-29.8	178.5	75.7	-82.5	0	0	0	112.8	M416 M421 E425 V426 K431 A432 I492 K493 V496 Q497 Y500	M416-F428 HydrophobicContact CE-CE1 4.05Å; M416-F428 HydrophobicContact CE-CZ 3.79Å; M416-F428 HydrophobicContact SD-CZ 4.31Å; M421-F428 HydrophobicContact CE-CE1 4.41Å; E425-F428 WeakPolarHBondContact O-CD1 3.45Å; E425-F428 VanDerWaalsContact O-CE1 3.26Å; E425-F428 WeakPolarHBondContact O-CE1 3.34Å; V426-F428 PolarHBondContact O-N 3.3Å; F428-K431 PolarHBondContact O-N 2.91Å; F428-A432 WeakPolarHBondContact O-CB 3.36Å; F428-A432 PolarHBondContact O-N 2.9Å; F428-I492 HydrophobicContact CE2-CG2 4.25Å; F428-I492 HydrophobicContact CZ-CG2 4.25Å; F428-K493 HydrophobicContact CD1-CG 4.42Å; F428-K493 HydrophobicContact CE1-CB 4.36Å; F428-K493 HydrophobicContact CE1-CG 4.17Å; F428-K493 HydrophobicContact CE2-CB 4.45Å; F428-K493 HydrophobicContact CZ-CB 4.05Å; F428-K493 HydrophobicContact CZ-CG 4.27Å; F428-V496 HydrophobicContact CD2-CB 3.97Å; F428-V496 HydrophobicContact CD2-CG1 3.8Å; F428-V496 HydrophobicContact CE2-CB 3.83Å; F428-V496 HydrophobicContact CE2-CG1 4.02Å; F428-V496 HydrophobicContact CE2-CG2 4.23Å; F428-Q497 HydrophobicContact CB-CG 4.18Å; F428-Q497 HydrophobicContact CD2-CG 4.28Å; F428-Q497 HydrophobicContact CG-CG 4.42Å; F428-Y500 HydrophobicContact CB-CE1 4.37Å
429	L	93.2	Very high	91.9	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-68.5	-44.1	177.4	-70.2	176.3	0	0	0	111.1	V409 K412 M413 M416 V426 Q427 K431 A432 V433 I484 I492 V496	V409-L429 HydrophobicContact CG1-CB 3.47Å; V409-L429 VanDerWaalsContact CG1-CB 3.47Å; V409-L429 HydrophobicContact CG2-CB 4.45Å; K412-L429 HydrophobicContact CB-CD1 4.22Å; K412-L429 HydrophobicContact CG-CD1 4.23Å; M413-L429 HydrophobicContact CG-CB 4Å; M413-L429 HydrophobicContact CG-CD1 3.72Å; M413-L429 HydrophobicContact CG-CG 4.4Å; M413-L429 HydrophobicContact SD-CB 4.29Å; M416-L429 HydrophobicContact SD-CD1 3.68Å; V426-L429 PolarHBondContact O-N 2.99Å; Q427-L429 PolarHBondContact O-N 3.47Å; L429-K431 VanDerWaalsContact C-N 3.32Å; L429-K431 PolarHBondContact O-N 3.2Å; L429-A432 WeakPolarHBondContact O-CB 3.34Å; L429-A432 PolarHBondContact O-N 3.48Å; L429-V433 PolarHBondContact O-N 3.34Å; L429-V433 VanDerWaalsContact O-N 3.13Å; L429-I484 HydrophobicContact CD2-CD1 3.82Å; L429-I492 HydrophobicContact CD2-CG2 4.22Å; L429-V496 HydrophobicContact CD2-CG1 4.32Å; L429-V496 HydrophobicContact CD2-CG2 4.16Å
430	K	93.9	Very high	92.4	Very high	96 Å²	96	48.1 Å²	48.1	42%	0.417	23%	0.231	S	C	.	.	H	α-helix	trans	-60.1	-45.9	173.4	-174.2	-166.8	169.8	-149.6	0	110.5	Y406 M413 Q427 A432 V433 D434	Y406-K430 HydrophobicContact CE1-CG 4.26Å; M413-K430 HydrophobicContact SD-CB 4.25Å; Q427-K430 PolarHBondContact O-N 3.36Å; K430-A432 VanDerWaalsContact C-N 3.27Å; K430-A432 PolarHBondContact O-N 3.06Å; K430-V433 PolarHBondContact O-N 3.27Å; K430-D434 VanDerWaalsContact O-CG 3.25Å; K430-D434 PolarHBondContact O-N 3.24Å
431	K	95.1	Very high	93	Very high	93 Å²	93	42 Å²	42	40%	0.404	20%	0.201	S	C	.	.	H	α-helix	trans	-58.9	-38.6	176.4	-174.1	174	179.3	179.8	0	111.9	Q427 F428 L429 D434 V435 Y500	Q427-K431 PolarHBondContact O-N 3.31Å; F428-K431 PolarHBondContact O-N 2.91Å; L429-K431 VanDerWaalsContact C-N 3.32Å; L429-K431 PolarHBondContact O-N 3.2Å; K431-D434 PolarHBondContact O-N 3.26Å; K431-V435 HydrophobicContact CG-CG2 4.42Å; K431-V435 WeakPolarHBondContact O-CG2 3.29Å; K431-V435 PolarHBondContact O-N 3.18Å; K431-Y500 HydrophobicContact CD-CE2 3.97Å; K431-Y500 HydrophobicContact CG-CE2 4.25Å
432	A	96.6	Very high	93.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.4	-44.5	177.3	0	0	0	0	0	112	F428 L429 K430 V435 L436 L480 V496 Y500	F428-A432 WeakPolarHBondContact O-CB 3.36Å; F428-A432 PolarHBondContact O-N 2.9Å; L429-A432 WeakPolarHBondContact O-CB 3.34Å; L429-A432 PolarHBondContact O-N 3.48Å; K430-A432 VanDerWaalsContact C-N 3.27Å; K430-A432 PolarHBondContact O-N 3.06Å; A432-V435 PolarHBondContact O-N 3.42Å; A432-L436 WeakPolarHBondContact O-CB 3.38Å; A432-L436 PolarHBondContact O-N 3.31Å; A432-L480 HydrophobicContact CB-CD1 4.28Å; A432-L480 HydrophobicContact CB-CD2 4.49Å; A432-V496 HydrophobicContact CB-CG1 3.36Å; A432-Y500 HydrophobicContact CB-CD1 3.67Å; A432-Y500 HydrophobicContact CB-CE1 4.49Å; A432-Y500 HydrophobicContact CB-CG 4.25Å
433	V	96.4	Very high	94.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66.5	-40.9	175.1	-178.3	0	0	0	0	111.4	L405 Y406 V409 L429 K430 V435 L436 C437 L480	L405-V433 HydrophobicContact CB-CG1 4.24Å; L405-V433 HydrophobicContact CB-CG2 4.22Å; Y406-V433 HydrophobicContact CD1-CB 4.45Å; Y406-V433 HydrophobicContact CD1-CG1 4.05Å; Y406-V433 HydrophobicContact CD2-CG1 3.86Å; Y406-V433 HydrophobicContact CE1-CB 4.16Å; Y406-V433 HydrophobicContact CE1-CG1 3.85Å; Y406-V433 HydrophobicContact CE2-CG1 3.64Å; Y406-V433 HydrophobicContact CG-CG1 4.06Å; V409-V433 HydrophobicContact CB-CG2 4.24Å; V409-V433 HydrophobicContact CG2-CG2 3.6Å; L429-V433 PolarHBondContact O-N 3.34Å; L429-V433 VanDerWaalsContact O-N 3.13Å; K430-V433 PolarHBondContact O-N 3.27Å; V433-V435 VanDerWaalsContact C-N 3.33Å; V433-V435 PolarHBondContact O-N 3.42Å; V433-L436 PolarHBondContact O-N 3.46Å; V433-C437 WeakPolarHBondContact O-CB 3.4Å; V433-C437 PolarHBondContact O-N 2.67Å; V433-C437 PolarHBondContact O-SG 3.47Å; V433-L480 HydrophobicContact CG2-CD1 4.26Å
434	D	95.1	Very high	94.5	Very high	45 Å²	45	30.4 Å²	30.4	24%	0.241	15%	0.148	C	C	.	.	H	α-helix	trans	-58	-45.1	175.3	-67.8	-26.1	0	0	0	111.2	Y406 K430 K431 Q438	Y406-D434 VanDerWaalsContact CE1-OD1 3.24Å; Y406-D434 WeakPolarHBondContact CE1-OD1 3.44Å; Y406-D434 VanDerWaalsContact CZ-OD1 3.28Å; Y406-D434 PolarHBondContact OH-OD1 3.16Å; K430-D434 VanDerWaalsContact O-CG 3.25Å; K430-D434 PolarHBondContact O-N 3.24Å; K431-D434 PolarHBondContact O-N 3.26Å; D434-Q438 WeakPolarHBondContact O-CB 3.47Å; D434-Q438 VanDerWaalsContact O-CG 3.24Å; D434-Q438 WeakPolarHBondContact O-CG 3.25Å; D434-Q438 PolarHBondContact O-N 3.24Å; D434-Q438 VanDerWaalsContact O-N 3.1Å
435	V	97.2	Very high	95.1	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.03	12%	0.117	C	C	.	.	H	α-helix	trans	-67.5	-42.1	177	170.2	0	0	0	0	111.1	K431 A432 V433 Q438 C439 Y500 C503 E504	K431-V435 HydrophobicContact CG-CG2 4.42Å; K431-V435 WeakPolarHBondContact O-CG2 3.29Å; K431-V435 PolarHBondContact O-N 3.18Å; A432-V435 PolarHBondContact O-N 3.42Å; V433-V435 VanDerWaalsContact C-N 3.33Å; V433-V435 PolarHBondContact O-N 3.42Å; V435-Q438 WeakPolarHBondContact O-CB 3.12Å; V435-Q438 PolarHBondContact O-N 3.38Å; V435-C439 PolarHBondContact O-N 2.92Å; V435-C439 PolarHBondContact O-SG 2.8Å; V435-Y500 HydrophobicContact CG2-CD2 4.14Å; V435-C503 HydrophobicContact CG1-CB 4.17Å; V435-E504 HydrophobicContact CG1-CB 4.12Å
436	L	97.7	Very high	95.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.4	-50.6	177.7	177.3	62.8	0	0	0	111.1	E402 L405 A432 V433 Q438 C439 R440 T473 L476 L480	E402-L436 HydrophobicContact CB-CD2 4.48Å; E402-L436 HydrophobicContact CG-CD2 3.81Å; E402-L436 HydrophobicContact CG-CG 4.23Å; L405-L436 HydrophobicContact CD1-CD2 3.91Å; A432-L436 WeakPolarHBondContact O-CB 3.38Å; A432-L436 PolarHBondContact O-N 3.31Å; V433-L436 PolarHBondContact O-N 3.46Å; L436-Q438 VanDerWaalsContact C-N 3.29Å; L436-Q438 PolarHBondContact O-N 2.82Å; L436-C439 PolarHBondContact O-N 3.3Å; L436-C439 VanDerWaalsContact O-N 3.11Å; L436-R440 PolarHBondContact O-N 2.98Å; L436-T473 HydrophobicContact CD1-CG2 3.67Å; L436-L476 HydrophobicContact CB-CD2 3.87Å; L436-L476 HydrophobicContact CB-CG 4.44Å; L436-L476 HydrophobicContact CD1-CB 4.48Å; L436-L476 HydrophobicContact CD1-CD2 4.19Å; L436-L476 HydrophobicContact CD1-CG 4.3Å; L436-L480 HydrophobicContact CD2-CD1 4.04Å
437	C	95.9	Very high	96.1	Very high	11 Å²	11	20.7 Å²	20.7	7%	0.074	10%	0.1	C	C	.	.	H	α-helix	trans	-61.6	-38.5	178.7	-67.6	0	0	0	0	111.7	L399 V433 S441	L399-C437 HydrophobicContact CD1-CB 3.7Å; V433-C437 WeakPolarHBondContact O-CB 3.4Å; V433-C437 PolarHBondContact O-N 2.67Å; V433-C437 PolarHBondContact O-SG 3.47Å; C437-S441 WeakPolarHBondContact O-CB 3.4Å; C437-S441 PolarHBondContact O-N 3.34Å
438	Q	95.6	Very high	96.3	Very high	73 Å²	73	18.3 Å²	18.3	34%	0.341	9%	0.089	S	C	.	.	H	α-helix	trans	-63.8	-43.1	174.2	-78	176.9	48	0	0	112.3	D434 V435 L436 S441 T442	D434-Q438 WeakPolarHBondContact O-CB 3.47Å; D434-Q438 VanDerWaalsContact O-CG 3.24Å; D434-Q438 WeakPolarHBondContact O-CG 3.25Å; D434-Q438 PolarHBondContact O-N 3.24Å; D434-Q438 VanDerWaalsContact O-N 3.1Å; V435-Q438 WeakPolarHBondContact O-CB 3.12Å; V435-Q438 PolarHBondContact O-N 3.38Å; L436-Q438 VanDerWaalsContact C-N 3.29Å; L436-Q438 PolarHBondContact O-N 2.82Å; Q438-S441 PolarHBondContact O-N 3.27Å; Q438-T442 PolarHBondContact O-N 3.38Å; Q438-T442 PolarHBondContact O-OG1 2.88Å
439	C	97.8	Very high	96.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.9	-42.8	177.7	-64.8	0	0	0	0	111.3	V435 L436 T442 L443 L469 T473	V435-C439 PolarHBondContact O-N 2.92Å; V435-C439 PolarHBondContact O-SG 2.8Å; L436-C439 PolarHBondContact O-N 3.3Å; L436-C439 VanDerWaalsContact O-N 3.11Å; C439-T442 PolarHBondContact O-N 2.98Å; C439-L443 WeakPolarHBondContact O-CB 3.42Å; C439-L443 WeakPolarHBondContact O-CG 3.38Å; C439-L443 PolarHBondContact O-N 3.38Å; C439-L469 HydrophobicContact CB-CD1 4.15Å; C439-T473 HydrophobicContact CB-CG2 4.12Å; C439-T473 WeakPolarHBondContact CB-OG1 3.32Å
440	R	96.8	Very high	96.7	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.4	-45.5	172.8	-75.4	-55.8	-175.2	-179.2	-9.3	113.3	G327 N329 H395 L399 E402 L436 T442 L443 M444 T473 E474	G327-R440 PolarHBondContact O-NH2 2.6Å; N329-R440 PolarHBondContact ND2-NH1 2.87Å; H395-R440 PolarHBondContact CE1-NH1 3.01Å; H395-R440 PolarHBondContact ND1-NH1 3.34Å; L399-R440 HydrophobicContact CB-CB 4.14Å; L399-R440 HydrophobicContact CD1-CB 4.11Å; E402-R440 WeakPolarHBondContact OE1-CG 3.38Å; E402-R440 IonicContact OE1-CZ 3.36Å; E402-R440 IonicContact OE1-NE 3.8Å; E402-R440 PolarHBondContact OE1-NE 3.34Å; E402-R440 IonicContact OE1-NH2 3.27Å; E402-R440 WeakPolarHBondContact OE2-CG 3.13Å; L436-R440 PolarHBondContact O-N 2.98Å; R440-T442 VanDerWaalsContact C-N 3.32Å; R440-T442 PolarHBondContact O-N 3.46Å; R440-L443 PolarHBondContact O-N 2.89Å; R440-M444 WeakPolarHBondContact O-CB 3.39Å; R440-M444 PolarHBondContact O-N 2.94Å; R440-T473 HydrophobicContact CG-CG2 4.25Å; R440-E474 IonicContact CZ-OE1 2.78Å; R440-E474 IonicContact CZ-OE2 3.95Å; R440-E474 IonicContact NH1-OE1 2.69Å; R440-E474 PolarHBondContact NH1-OE1 2.92Å; R440-E474 IonicContact NH1-OE2 2.72Å; R440-E474 IonicContact NH2-OE1 3.36Å; R440-E474 PolarHBondContact NH2-OE1 3.28Å; R440-E474 IonicContact NH2-OE2 3.98Å; R440-E474 PolarHBondContact NH2-OE2 2.83Å
441	S	95.9	Very high	96.8	Very high	30 Å²	30	14.6 Å²	14.6	21%	0.21	7%	0.074	C	C	.	.	H	α-helix	trans	-58.2	-48	176.8	-172.9	0	0	0	0	110.4	C437 Q438 M444 F445	C437-S441 WeakPolarHBondContact O-CB 3.4Å; C437-S441 PolarHBondContact O-N 3.34Å; Q438-S441 PolarHBondContact O-N 3.27Å; S441-M444 WeakPolarHBondContact O-CB 3.24Å; S441-M444 PolarHBondContact O-N 3.32Å; S441-F445 WeakPolarHBondContact O-CD2 3.44Å; S441-F445 PolarHBondContact O-N 2.91Å
442	T	98	Very high	96.8	Very high	5 Å²	5	10.8 Å²	10.8	3%	0.031	6%	0.057	C	C	.	.	H	α-helix	trans	-61.1	-49	175.4	-64.6	0	0	0	0	111.6	Q438 C439 R440 M444 F445 T446 L469 R507 L511	Q438-T442 PolarHBondContact O-N 3.38Å; Q438-T442 PolarHBondContact O-OG1 2.88Å; C439-T442 PolarHBondContact O-N 2.98Å; R440-T442 VanDerWaalsContact C-N 3.32Å; R440-T442 PolarHBondContact O-N 3.46Å; T442-M444 VanDerWaalsContact C-N 3.33Å; T442-M444 PolarHBondContact O-N 3.39Å; T442-F445 CarbonylContact O-C 3.56Å; T442-F445 PolarHBondContact O-N 3.01Å; T442-T446 HydrophobicContact CG2-CG2 4.16Å; T442-T446 WeakPolarHBondContact O-CG2 3.4Å; T442-T446 PolarHBondContact O-N 3.43Å; T442-L469 HydrophobicContact CG2-CD2 4.29Å; T442-R507 HydrophobicContact CG2-CG 4.02Å; T442-L511 HydrophobicContact CG2-CD2 3.9Å; T442-L511 HydrophobicContact CG2-CG 4.39Å
443	L	98.2	Very high	96.8	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-56.7	-44.7	178.9	-79.3	168.7	0	0	0	112.1	C439 R440 F445 T446 Y447 Q466 L469 E470 T473	C439-L443 WeakPolarHBondContact O-CB 3.42Å; C439-L443 WeakPolarHBondContact O-CG 3.38Å; C439-L443 PolarHBondContact O-N 3.38Å; R440-L443 PolarHBondContact O-N 2.89Å; L443-F445 VanDerWaalsContact C-N 3.28Å; L443-F445 PolarHBondContact O-N 3.31Å; L443-T446 WeakPolarHBondContact CA-OG1 3.17Å; L443-T446 PolarHBondContact O-N 3.2Å; L443-T446 VanDerWaalsContact O-N 3.14Å; L443-T446 PolarHBondContact O-OG1 3.01Å; L443-Y447 VanDerWaalsContact O-CD2 3.23Å; L443-Y447 WeakPolarHBondContact O-CD2 3.31Å; L443-Y447 PolarHBondContact O-N 2.65Å; L443-Q466 HydrophobicContact CD2-CG 4.32Å; L443-L469 HydrophobicContact CD1-CG 4.32Å; L443-L469 HydrophobicContact CD2-CB 4.28Å; L443-L469 HydrophobicContact CD2-CD2 3.89Å; L443-L469 HydrophobicContact CD2-CG 3.9Å; L443-L469 HydrophobicContact CG-CD2 3.94Å; L443-L469 HydrophobicContact CG-CG 4.02Å; L443-E470 HydrophobicContact CD1-CB 4.4Å; L443-E470 HydrophobicContact CD2-CB 3.99Å; L443-T473 HydrophobicContact CD1-CG2 3.92Å; L443-T473 WeakPolarHBondContact CD1-OG1 3.38Å
444	M	96.2	Very high	96.6	Very high	10 Å²	10	16.1 Å²	16.1	5%	0.049	8%	0.08	C	C	.	.	H	α-helix	trans	-51.7	-48.3	173.6	-178.4	-178.4	70.7	0	0	111.2	Y392 H395 M396 R440 S441 T442 Y447	Y392-M444 HydrophobicContact CD2-CG 3.31Å; Y392-M444 WeakPolarHBondContact CD2-O 3.38Å; Y392-M444 HydrophobicContact CD2-SD 4.33Å; Y392-M444 HydrophobicContact CE2-CE 4.33Å; Y392-M444 HydrophobicContact CE2-CG 3.3Å; Y392-M444 HydrophobicContact CE2-SD 3.81Å; Y392-M444 HydrophobicContact CG-CG 4.12Å; H395-M444 HydrophobicContact CB-CB 3.99Å; M396-M444 HydrophobicContact CB-SD 3.65Å; M396-M444 HydrophobicContact CG-SD 4.02Å; R440-M444 WeakPolarHBondContact O-CB 3.39Å; R440-M444 PolarHBondContact O-N 2.94Å; S441-M444 WeakPolarHBondContact O-CB 3.24Å; S441-M444 PolarHBondContact O-N 3.32Å; T442-M444 VanDerWaalsContact C-N 3.33Å; T442-M444 PolarHBondContact O-N 3.39Å; M444-Y447 PolarHBondContact O-N 3.47Å
445	F	98	Very high	96.5	Very high	5 Å²	5	18.6 Å²	18.6	2%	0.022	9%	0.089	C	C	.	.	H	α-helix	trans	-77.2	-23.3	179.9	-65.8	-58.8	0	0	0	114.7	N281 W282 H283 V286 L291 S441 T442 L443 Y447 V448 F449	N281-F445 HydrophobicContact CB-CZ 4.34Å; W282-F445 WeakPolarHBondContact O-CE2 3.24Å; H283-F445 VanDerWaalsContact CA-CD2 3.4Å; H283-F445 HydrophobicContact CB-CD1 3.67Å; H283-F445 HydrophobicContact CB-CD2 3.82Å; H283-F445 HydrophobicContact CB-CE1 3.58Å; H283-F445 HydrophobicContact CB-CE2 3.74Å; H283-F445 HydrophobicContact CB-CG 3.78Å; H283-F445 HydrophobicContact CB-CZ 3.6Å; V286-F445 HydrophobicContact CG1-CB 4.06Å; V286-F445 HydrophobicContact CG1-CD1 4.02Å; V286-F445 HydrophobicContact CG1-CG 4.33Å; L291-F445 HydrophobicContact CD1-CD1 4.02Å; L291-F445 HydrophobicContact CD1-CE1 3.69Å; L291-F445 HydrophobicContact CD2-CE1 4.01Å; S441-F445 WeakPolarHBondContact O-CD2 3.44Å; S441-F445 PolarHBondContact O-N 2.91Å; T442-F445 CarbonylContact O-C 3.56Å; T442-F445 PolarHBondContact O-N 3.01Å; L443-F445 VanDerWaalsContact C-N 3.28Å; L443-F445 PolarHBondContact O-N 3.31Å; F445-Y447 VanDerWaalsContact C-N 3.27Å; F445-Y447 PolarHBondContact O-N 2.95Å; F445-V448 HydrophobicContact CD1-CG2 4.45Å; F445-V448 PolarHBondContact O-N 3.17Å; F445-F449 PolarHBondContact O-N 2.78Å
446	T	98.3	Very high	96.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.2	-36.4	171.8	61.4	0	0	0	0	111.8	P285 T442 L443 F449 A450 F462 Q466 L510	P285-T446 HydrophobicContact CG-CG2 3.85Å; T442-T446 HydrophobicContact CG2-CG2 4.16Å; T442-T446 WeakPolarHBondContact O-CG2 3.4Å; T442-T446 PolarHBondContact O-N 3.43Å; L443-T446 WeakPolarHBondContact CA-OG1 3.17Å; L443-T446 PolarHBondContact O-N 3.2Å; L443-T446 VanDerWaalsContact O-N 3.14Å; L443-T446 PolarHBondContact O-OG1 3.01Å; T446-F449 PolarHBondContact O-N 2.63Å; T446-A450 VanDerWaalsContact O-CB 3.25Å; T446-A450 WeakPolarHBondContact O-CB 3.45Å; T446-A450 PolarHBondContact O-N 3.49Å; T446-F462 HydrophobicContact CG2-CE2 4.31Å; T446-F462 HydrophobicContact CG2-CZ 4.36Å; T446-Q466 PolarHBondContact OG1-NE2 2.96Å; T446-L510 HydrophobicContact CG2-CD1 3.89Å; T446-L510 HydrophobicContact CG2-CD2 3.67Å; T446-L510 HydrophobicContact CG2-CG 4.47Å
447	Y	97.5	Very high	96.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-69.8	-32.6	175.6	-74	-68.7	0	0	0	113.3	N361 Y388 R391 H395 L443 M444 F445 F451 E470	N361-Y447 HydrophobicContact CB-CE1 4.23Å; N361-Y447 VanDerWaalsContact CB-OH 3.24Å; N361-Y447 WeakPolarHBondContact CB-OH 3.36Å; Y388-Y447 AromaticContact CD1-CD1 3.91Å; Y388-Y447 HydrophobicContact CD1-CD1 3.91Å; Y388-Y447 WeakPolarHBondContact CD1-O 3.46Å; Y388-Y447 HydrophobicContact CE1-CD1 4.35Å; R391-Y447 HydrophobicContact CB-CD1 3.89Å; R391-Y447 HydrophobicContact CB-CD2 3.82Å; R391-Y447 HydrophobicContact CB-CE1 3.93Å; R391-Y447 HydrophobicContact CB-CE2 3.85Å; R391-Y447 HydrophobicContact CB-CG 3.83Å; R391-Y447 HydrophobicContact CG-CE1 4.15Å; H395-Y447 AromaticContact CD2-CD2 3.87Å; H395-Y447 AromaticContact CD2-CE2 3.53Å; H395-Y447 AromaticContact NE2-CE2 3.54Å; L443-Y447 VanDerWaalsContact O-CD2 3.23Å; L443-Y447 WeakPolarHBondContact O-CD2 3.31Å; L443-Y447 PolarHBondContact O-N 2.65Å; M444-Y447 PolarHBondContact O-N 3.47Å; F445-Y447 VanDerWaalsContact C-N 3.27Å; F445-Y447 PolarHBondContact O-N 2.95Å; Y447-F451 WeakPolarHBondContact O-CB 3.48Å; Y447-F451 PolarHBondContact O-N 3.47Å; Y447-E470 WeakPolarHBondContact CE2-OE2 3.42Å; Y447-E470 VanDerWaalsContact OH-CD 3.3Å; Y447-E470 PolarHBondContact OH-OE1 3.3Å; Y447-E470 PolarHBondContact OH-OE2 3.22Å
448	V	96.9	Very high	96.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-66.4	-45.3	172.4	-173.9	0	0	0	0	110.4	V286 W294 Y392 F445 F451 Y452	V286-V448 HydrophobicContact CG1-CB 4.46Å; V286-V448 HydrophobicContact CG1-CG1 4.49Å; V286-V448 HydrophobicContact CG2-CB 4.44Å; V286-V448 HydrophobicContact CG2-CG1 4.03Å; W294-V448 HydrophobicContact CB-CG1 3.54Å; W294-V448 HydrophobicContact CD2-CB 4.5Å; W294-V448 HydrophobicContact CD2-CG1 3.99Å; W294-V448 HydrophobicContact CD2-CG2 4.09Å; W294-V448 HydrophobicContact CE3-CG1 4.43Å; W294-V448 HydrophobicContact CG-CB 4.37Å; W294-V448 HydrophobicContact CG-CG1 3.59Å; W294-V448 HydrophobicContact CG-CG2 3.92Å; Y392-V448 HydrophobicContact CD2-CG2 3.52Å; Y392-V448 HydrophobicContact CE2-CG2 3.76Å; Y392-V448 HydrophobicContact CG-CG2 4.49Å; F445-V448 HydrophobicContact CD1-CG2 4.45Å; F445-V448 PolarHBondContact O-N 3.17Å; V448-F451 PolarHBondContact O-N 3.23Å; V448-Y452 HydrophobicContact CG1-CD2 4.48Å; V448-Y452 HydrophobicContact CG1-CE2 4.27Å; V448-Y452 WeakPolarHBondContact O-CD2 3.21Å
449	F	97.6	Very high	96.1	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	13%	0.126	C	C	.	.	H	α-helix	trans	-59	-49.2	174.5	174	-98.8	0	0	0	111.3	P285 V286 F445 T446 F451 Y452 L453 F462 V514 Y518 W523 Y525	P285-F449 HydrophobicContact CG-CB 4.24Å; P285-F449 HydrophobicContact CG-CG 4.4Å; V286-F449 HydrophobicContact CB-CB 4.11Å; V286-F449 HydrophobicContact CG2-CB 4.38Å; F445-F449 PolarHBondContact O-N 2.78Å; T446-F449 PolarHBondContact O-N 2.63Å; F449-F451 PolarHBondContact O-N 3.37Å; F449-Y452 PolarHBondContact O-N 2.82Å; F449-L453 HydrophobicContact CD1-CD2 4.5Å; F449-L453 HydrophobicContact CE1-CD1 4.35Å; F449-L453 HydrophobicContact CE1-CD2 3.82Å; F449-L453 HydrophobicContact CZ-CD1 4.04Å; F449-L453 HydrophobicContact CZ-CD2 4.29Å; F449-L453 WeakPolarHBondContact O-CB 3.35Å; F449-L453 PolarHBondContact O-N 3.06Å; F449-L453 VanDerWaalsContact O-N 3.15Å; F449-F462 HydrophobicContact CD1-CD1 4.48Å; F449-F462 HydrophobicContact CD1-CD2 4.23Å; F449-F462 AromaticContact CD1-CE1 3.97Å; F449-F462 HydrophobicContact CD1-CE1 3.97Å; F449-F462 AromaticContact CD1-CE2 3.64Å; F449-F462 HydrophobicContact CD1-CE2 3.64Å; F449-F462 AromaticContact CD1-CZ 3.5Å; F449-F462 HydrophobicContact CD1-CZ 3.5Å; F449-F462 HydrophobicContact CE1-CD1 4.32Å; F449-F462 AromaticContact CE1-CD2 3.92Å; F449-F462 HydrophobicContact CE1-CD2 3.92Å; F449-F462 HydrophobicContact CE1-CE1 4.26Å; F449-F462 AromaticContact CE1-CE2 3.82Å; F449-F462 HydrophobicContact CE1-CE2 3.82Å; F449-F462 HydrophobicContact CE1-CG 4.16Å; F449-F462 AromaticContact CE1-CZ 4Å; F449-F462 HydrophobicContact CE1-CZ 4Å; F449-V514 HydrophobicContact CD2-CG1 4.49Å; F449-V514 HydrophobicContact CE1-CG1 4.3Å; F449-V514 HydrophobicContact CE1-CG2 4.16Å; F449-V514 HydrophobicContact CE2-CG1 3.83Å; F449-V514 HydrophobicContact CZ-CG1 3.72Å; F449-V514 HydrophobicContact CZ-CG2 4.34Å; F449-Y518 WeakPolarHBondContact CD2-OH 3.28Å; F449-Y518 HydrophobicContact CE2-CE1 4.09Å; F449-Y518 AromaticContact CE2-CZ 3.92Å; F449-Y518 VanDerWaalsContact CE2-OH 3.24Å; F449-Y518 WeakPolarHBondContact CE2-OH 3.24Å; F449-W523 HydrophobicContact CE2-CG 4.38Å; F449-W523 AromaticContact CZ-CD2 3.71Å; F449-W523 HydrophobicContact CZ-CD2 3.71Å; F449-W523 AromaticContact CZ-CE2 3.93Å; F449-W523 HydrophobicContact CZ-CE3 4.01Å; F449-W523 HydrophobicContact CZ-CG 4.03Å; F449-W523 HydrophobicContact CZ-CZ2 4.45Å; F449-W523 HydrophobicContact CZ-CZ3 4.42Å; F449-Y525 HydrophobicContact CD2-CE1 4.38Å; F449-Y525 HydrophobicContact CE2-CE1 4.23Å
450	A	96.9	Very high	96	Very high	5 Å²	5	29.6 Å²	29.6	4%	0.041	15%	0.147	C	C	.	.	H	α-helix	trans	-63.7	-35.1	-178.7	0	0	0	0	0	113.7	R384 Y388 T446 Y452 L453 F462	R384-A450 PolarHBondContact NH2-O 2.91Å; Y388-A450 HydrophobicContact CD1-CB 4.18Å; Y388-A450 HydrophobicContact CE1-CB 3.56Å; T446-A450 VanDerWaalsContact O-CB 3.25Å; T446-A450 WeakPolarHBondContact O-CB 3.45Å; T446-A450 PolarHBondContact O-N 3.49Å; A450-Y452 PolarHBondContact O-N 3.24Å; A450-L453 PolarHBondContact O-N 3.41Å; A450-F462 HydrophobicContact CB-CE1 3.83Å; A450-F462 HydrophobicContact CB-CZ 4.38Å
451	F	95.1	Very high	96	Very high	23 Å²	23	33 Å²	33	10%	0.101	17%	0.165	C	C	.	.	H	α-helix	trans	-60.1	-46.4	179.1	172.4	-105.6	0	0	0	111.9	W294 K297 R384 Y385 Y388 Y447 V448 F449 L453	W294-F451 HydrophobicContact CE3-CB 4.48Å; W294-F451 AromaticContact CE3-CD1 3.76Å; W294-F451 HydrophobicContact CE3-CD1 3.76Å; W294-F451 HydrophobicContact CE3-CE1 4.27Å; W294-F451 HydrophobicContact CE3-CG 4.19Å; W294-F451 HydrophobicContact CZ3-CB 3.94Å; W294-F451 AromaticContact CZ3-CD1 3.55Å; W294-F451 HydrophobicContact CZ3-CD1 3.55Å; W294-F451 HydrophobicContact CZ3-CD2 4.09Å; W294-F451 HydrophobicContact CZ3-CE1 4.05Å; W294-F451 AromaticContact CZ3-CG 3.57Å; W294-F451 HydrophobicContact CZ3-CG 3.57Å; K297-F451 HydrophobicContact CD-CE1 4.4Å; K297-F451 HydrophobicContact CD-CZ 4.45Å; R384-F451 HydrophobicContact CG-CD2 4.38Å; R384-F451 HydrophobicContact CG-CE2 4.25Å; R384-F451 PolarHBondContact NH2-O 3.22Å; Y385-F451 HydrophobicContact CD2-CE2 4.41Å; Y385-F451 HydrophobicContact CD2-CZ 4.36Å; Y388-F451 HydrophobicContact CD1-CB 4.11Å; Y388-F451 HydrophobicContact CD2-CB 4.12Å; Y388-F451 AromaticContact CD2-CD2 3.63Å; Y388-F451 HydrophobicContact CD2-CD2 3.63Å; Y388-F451 HydrophobicContact CD2-CG 4.37Å; Y388-F451 HydrophobicContact CE2-CD2 4.36Å; Y388-F451 HydrophobicContact CG-CB 3.82Å; Y388-F451 HydrophobicContact CG-CD2 4.02Å; Y388-F451 HydrophobicContact CG-CG 4.4Å; Y447-F451 WeakPolarHBondContact O-CB 3.48Å; Y447-F451 PolarHBondContact O-N 3.47Å; V448-F451 PolarHBondContact O-N 3.23Å; F449-F451 PolarHBondContact O-N 3.37Å; F451-L453 VanDerWaalsContact C-N 3.32Å
452	Y	95.5	Very high	96.1	Very high	13 Å²	13	31.7 Å²	31.7	5%	0.051	16%	0.155	C	C	.	.	H	α-helix	trans	-80.8	-12.8	178.7	-67.9	-66.6	0	0	0	113	W290 K293 W294 V448 F449 A450 Y525 I526	W290-Y452 HydrophobicContact CB-CD2 3.83Å; W290-Y452 HydrophobicContact CB-CE2 4.17Å; W290-Y452 HydrophobicContact CD2-CD2 4.39Å; W290-Y452 HydrophobicContact CD2-CG 4.26Å; W290-Y452 AromaticContact CE3-CD1 3.78Å; W290-Y452 HydrophobicContact CE3-CD1 3.78Å; W290-Y452 HydrophobicContact CE3-CD2 4.01Å; W290-Y452 HydrophobicContact CE3-CE1 4.22Å; W290-Y452 HydrophobicContact CE3-CE2 4.4Å; W290-Y452 AromaticContact CE3-CG 3.68Å; W290-Y452 HydrophobicContact CE3-CG 3.68Å; W290-Y452 HydrophobicContact CG-CD2 4.34Å; W290-Y452 HydrophobicContact CZ3-CD1 4.01Å; W290-Y452 HydrophobicContact CZ3-CG 4.26Å; W290-Y452 WeakPolarHBondContact O-CE2 3.37Å; K293-Y452 WeakPolarHBondContact CB-OH 3.38Å; W294-Y452 WeakPolarHBondContact CA-OH 3.25Å; W294-Y452 HydrophobicContact CB-CE2 4.14Å; W294-Y452 HydrophobicContact CE3-CE2 4.34Å; W294-Y452 PolarHBondContact N-OH 3.15Å; V448-Y452 HydrophobicContact CG1-CD2 4.48Å; V448-Y452 HydrophobicContact CG1-CE2 4.27Å; V448-Y452 WeakPolarHBondContact O-CD2 3.21Å; F449-Y452 PolarHBondContact O-N 2.82Å; A450-Y452 PolarHBondContact O-N 3.24Å; Y452-Y525 CarbonylContact O-C 3.47Å; Y452-Y525 WeakPolarHBondContact O-CA 3.23Å; Y452-I526 PolarHBondContact O-N 3.06Å
453	L	95.2	Very high	96	Very high	8 Å²	8	32.4 Å²	32.4	4%	0.042	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-74.2	130.3	-175.7	-167.1	68.2	0	0	0	111.2	F449 A450 F451 S459 F462 W523 Y525	F449-L453 HydrophobicContact CD1-CD2 4.5Å; F449-L453 HydrophobicContact CE1-CD1 4.35Å; F449-L453 HydrophobicContact CE1-CD2 3.82Å; F449-L453 HydrophobicContact CZ-CD1 4.04Å; F449-L453 HydrophobicContact CZ-CD2 4.29Å; F449-L453 WeakPolarHBondContact O-CB 3.35Å; F449-L453 PolarHBondContact O-N 3.06Å; F449-L453 VanDerWaalsContact O-N 3.15Å; A450-L453 PolarHBondContact O-N 3.41Å; F451-L453 VanDerWaalsContact C-N 3.32Å; L453-S459 VanDerWaalsContact CD2-CB 3.5Å; L453-F462 HydrophobicContact CD2-CD1 4.47Å; L453-W523 HydrophobicContact CD1-CB 3.96Å; L453-W523 HydrophobicContact CD1-CD2 4.23Å; L453-W523 HydrophobicContact CD1-CE3 3.65Å; L453-W523 HydrophobicContact CD1-CG 4.39Å; L453-W523 HydrophobicContact CD2-CE3 4.06Å; L453-W523 HydrophobicContact CD2-CZ3 4.11Å; L453-W523 HydrophobicContact CG-CE3 4.47Å; L453-Y525 HydrophobicContact CD1-CE1 4.43Å
454	K	93.8	Very high	95.9	Very high	104 Å²	104	35.6 Å²	35.6	45%	0.452	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-79.6	135.7	169.2	-175.1	177.8	166.4	-160.5	0	109.3	N456 E524 I526	K454-N456 PolarHBondContact O-N 3.28Å; K454-E524 HydrophobicContact CB-CB 3.95Å; K454-E524 WeakPolarHBondContact CB-O 3.39Å; K454-E524 HydrophobicContact CD-CB 4.11Å; K454-E524 WeakPolarHBondContact CD-OE2 3.31Å; K454-E524 WeakPolarHBondContact CE-OE2 3.36Å; K454-E524 PolarHBondContact N-O 2.9Å; K454-E524 IonicContact NZ-OE2 3.78Å; K454-E524 PolarHBondContact NZ-OE2 3.21Å; K454-I526 HydrophobicContact CB-CG1 4.32Å
455	K	92.2	Very high	96	Very high	98 Å²	98	36.3 Å²	36.3	43%	0.426	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-61.7	129.7	-177.5	-70.3	-173.5	176.5	176.7	0	111.3	Y363 E365 S459	Y363-K455 PolarHBondContact O-NZ 3.37Å; E365-K455 VanDerWaalsContact OE1-CE 3.29Å; E365-K455 WeakPolarHBondContact OE1-CE 3.43Å; E365-K455 IonicContact OE1-NZ 3.6Å; E365-K455 PolarHBondContact OE1-NZ 2.86Å; K455-S459 WeakPolarHBondContact CA-OG 3.49Å
456	N	93.3	Very high	96	Very high	42 Å²	42	36.1 Å²	36.1	23%	0.225	18%	0.178	C	C	.	.			trans	-153.6	-178.6	173	67.6	27.2	0	0	0	109.9	K454 Q458 S459 I460 L522	K454-N456 PolarHBondContact O-N 3.28Å; N456-Q458 PolarHBondContact O-N 3.13Å; N456-Q458 WeakPolarHBondContact OD1-CA 3.38Å; N456-Q458 WeakPolarHBondContact OD1-CB 3.16Å; N456-Q458 PolarHBondContact OD1-N 2.95Å; N456-S459 PolarHBondContact N-OG 3.32Å; N456-S459 PolarHBondContact O-N 3.17Å; N456-S459 VanDerWaalsContact O-N 3.14Å; N456-S459 PolarHBondContact O-OG 3.36Å; N456-S459 PolarHBondContact OD1-N 2.7Å; N456-I460 PolarHBondContact O-N 3Å; N456-L522 PolarHBondContact ND2-O 3.26Å
457	N	94.6	Very high	95.9	Very high	133 Å²	133	37 Å²	37	71%	0.711	19%	0.186	S	C	*	.	H	α-helix	trans	-59.8	-35.1	-179	-67.5	-12.4	0	0	0	112.7
458	Q	96.3	Very high	95.8	Very high	55 Å²	55	39.9 Å²	39.9	26%	0.257	20%	0.201	S	C	.	.	H	α-helix	trans	-73.4	-32.6	178.6	-59.1	-57.8	-33.3	0	0	112	N456 I460 I461 F462 H513 L522 W523	N456-Q458 PolarHBondContact O-N 3.13Å; N456-Q458 WeakPolarHBondContact OD1-CA 3.38Å; N456-Q458 WeakPolarHBondContact OD1-CB 3.16Å; N456-Q458 PolarHBondContact OD1-N 2.95Å; Q458-I460 VanDerWaalsContact C-N 3.26Å; Q458-I460 PolarHBondContact O-N 3.19Å; Q458-I461 PolarHBondContact O-N 3.36Å; Q458-F462 WeakPolarHBondContact O-CB 3.48Å; Q458-F462 PolarHBondContact O-N 2.78Å; Q458-H513 PolarHBondContact O-CE1 2.86Å; Q458-H513 PolarHBondContact OE1-NE2 2.97Å; Q458-L522 HydrophobicContact CG-CB 4.1Å; Q458-L522 HydrophobicContact CG-CD1 3.95Å; Q458-W523 HydrophobicContact CB-CE3 4.25Å; Q458-W523 HydrophobicContact CB-CH2 3.67Å; Q458-W523 HydrophobicContact CB-CZ3 3.44Å; Q458-W523 VanDerWaalsContact CB-CZ3 3.44Å
459	S	94.9	Very high	95.9	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-35.2	176.5	76.3	0	0	0	0	111.7	L453 K455 N456 F462 E463	L453-S459 VanDerWaalsContact CD2-CB 3.5Å; K455-S459 WeakPolarHBondContact CA-OG 3.49Å; N456-S459 PolarHBondContact N-OG 3.32Å; N456-S459 PolarHBondContact O-N 3.17Å; N456-S459 VanDerWaalsContact O-N 3.14Å; N456-S459 PolarHBondContact O-OG 3.36Å; N456-S459 PolarHBondContact OD1-N 2.7Å; S459-F462 PolarHBondContact O-N 3.38Å; S459-E463 WeakPolarHBondContact O-CB 3.22Å; S459-E463 VanDerWaalsContact O-CG 3.24Å; S459-E463 WeakPolarHBondContact O-CG 3.49Å; S459-E463 PolarHBondContact O-N 2.85Å
460	I	94.6	Very high	95.9	Very high	86 Å²	86	41 Å²	41	44%	0.441	21%	0.206	S	C	.	.	H	α-helix	trans	-64.8	-45	176.9	-59.8	170.5	0	0	0	110.7	R362 N456 Q458 E463 N464	R362-I460 PolarHBondContact NH2-O 2.88Å; R362-I460 VanDerWaalsContact NH2-O 3.1Å; N456-I460 PolarHBondContact O-N 3Å; Q458-I460 VanDerWaalsContact C-N 3.26Å; Q458-I460 PolarHBondContact O-N 3.19Å; I460-E463 PolarHBondContact O-N 3.02Å; I460-N464 PolarHBondContact O-N 3.29Å; I460-N464 VanDerWaalsContact O-N 3.08Å; I460-N464 PolarHBondContact O-ND2 3.01Å
461	I	96.3	Very high	95.8	Very high	73 Å²	73	42.9 Å²	42.9	37%	0.374	22%	0.216	S	C	.	.	H	α-helix	trans	-63.5	-44.6	177	-61.2	169.7	0	0	0	110.1	Q458 E463 N464 N465	Q458-I461 PolarHBondContact O-N 3.36Å; I461-E463 VanDerWaalsContact C-N 3.34Å; I461-E463 PolarHBondContact O-N 3.11Å; I461-N464 WeakPolarHBondContact O-CB 3.33Å; I461-N464 PolarHBondContact O-N 2.8Å; I461-N465 PolarHBondContact O-N 2.95Å
462	F	97.8	Very high	95.9	Very high	1 Å²	1	42 Å²	42	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-58.8	-44.5	176	162.1	-93.2	0	0	0	111.6	T446 F449 A450 L453 Q458 S459 N464 N465 Q466 L510 H513 V514 W523	T446-F462 HydrophobicContact CG2-CE2 4.31Å; T446-F462 HydrophobicContact CG2-CZ 4.36Å; F449-F462 HydrophobicContact CD1-CD1 4.48Å; F449-F462 HydrophobicContact CD1-CD2 4.23Å; F449-F462 AromaticContact CD1-CE1 3.97Å; F449-F462 HydrophobicContact CD1-CE1 3.97Å; F449-F462 AromaticContact CD1-CE2 3.64Å; F449-F462 HydrophobicContact CD1-CE2 3.64Å; F449-F462 AromaticContact CD1-CZ 3.5Å; F449-F462 HydrophobicContact CD1-CZ 3.5Å; F449-F462 HydrophobicContact CE1-CD1 4.32Å; F449-F462 AromaticContact CE1-CD2 3.92Å; F449-F462 HydrophobicContact CE1-CD2 3.92Å; F449-F462 HydrophobicContact CE1-CE1 4.26Å; F449-F462 AromaticContact CE1-CE2 3.82Å; F449-F462 HydrophobicContact CE1-CE2 3.82Å; F449-F462 HydrophobicContact CE1-CG 4.16Å; F449-F462 AromaticContact CE1-CZ 4Å; F449-F462 HydrophobicContact CE1-CZ 4Å; A450-F462 HydrophobicContact CB-CE1 3.83Å; A450-F462 HydrophobicContact CB-CZ 4.38Å; L453-F462 HydrophobicContact CD2-CD1 4.47Å; Q458-F462 WeakPolarHBondContact O-CB 3.48Å; Q458-F462 PolarHBondContact O-N 2.78Å; S459-F462 PolarHBondContact O-N 3.38Å; F462-N464 VanDerWaalsContact C-N 3.32Å; F462-N464 PolarHBondContact O-N 2.93Å; F462-N465 PolarHBondContact O-N 3.29Å; F462-Q466 WeakPolarHBondContact O-CB 3.37Å; F462-Q466 PolarHBondContact O-N 3.45Å; F462-L510 HydrophobicContact CE2-CD2 4.21Å; F462-L510 HydrophobicContact CE2-CG 4.39Å; F462-H513 PolarHBondContact N-CE1 3.29Å; F462-V514 HydrophobicContact CD2-CG2 3.57Å; F462-V514 HydrophobicContact CE2-CG2 3.86Å; F462-W523 HydrophobicContact CB-CH2 4.28Å
463	E	96.9	Very high	96.1	Very high	21 Å²	21	41.3 Å²	41.3	10%	0.098	21%	0.21	C	C	.	.	H	α-helix	trans	-64.2	-34.7	178	-75.1	169.9	178.7	0	0	112.6	N361 R362 S459 I460 I461 Q466 A467	N361-E463 PolarHBondContact ND2-O 2.91Å; R362-E463 WeakPolarHBondContact CD-OE2 3.26Å; R362-E463 HydrophobicContact CG-CB 4.16Å; R362-E463 HydrophobicContact CG-CG 4.33Å; R362-E463 WeakPolarHBondContact CG-OE2 3.2Å; R362-E463 IonicContact CZ-OE2 3.52Å; R362-E463 IonicContact NE-OE2 2.65Å; R362-E463 PolarHBondContact NE-OE2 2.96Å; R362-E463 IonicContact NH2-OE2 3.88Å; S459-E463 WeakPolarHBondContact O-CB 3.22Å; S459-E463 VanDerWaalsContact O-CG 3.24Å; S459-E463 WeakPolarHBondContact O-CG 3.49Å; S459-E463 PolarHBondContact O-N 2.85Å; I460-E463 PolarHBondContact O-N 3.02Å; I461-E463 VanDerWaalsContact C-N 3.34Å; I461-E463 PolarHBondContact O-N 3.11Å; E463-Q466 PolarHBondContact O-N 3.28Å; E463-A467 PolarHBondContact O-N 3.18Å
464	N	96.1	Very high	96.1	Very high	67 Å²	67	41.3 Å²	41.3	36%	0.358	21%	0.209	S	C	.	.	H	α-helix	trans	-65.8	-48.7	172	-72.8	-31.7	0	0	0	110.8	R362 I460 I461 F462 Q466 A467 D468	R362-N464 PolarHBondContact NH1-OD1 2.97Å; R362-N464 VanDerWaalsContact NH2-CG 3.25Å; R362-N464 PolarHBondContact NH2-OD1 3.35Å; I460-N464 PolarHBondContact O-N 3.29Å; I460-N464 VanDerWaalsContact O-N 3.08Å; I460-N464 PolarHBondContact O-ND2 3.01Å; I461-N464 WeakPolarHBondContact O-CB 3.33Å; I461-N464 PolarHBondContact O-N 2.8Å; F462-N464 VanDerWaalsContact C-N 3.32Å; F462-N464 PolarHBondContact O-N 2.93Å; N464-Q466 PolarHBondContact O-N 3.35Å; N464-A467 PolarHBondContact O-N 2.79Å; N464-A467 VanDerWaalsContact O-N 3.11Å; N464-D468 PolarHBondContact O-N 3.14Å
465	N	97.6	Very high	96.3	Very high	24 Å²	24	39 Å²	39	13%	0.128	20%	0.204	C	C	.	.	H	α-helix	trans	-59.8	-35.8	176.9	-70.8	-24.8	0	0	0	111.8	I461 F462 L469 L510	I461-N465 PolarHBondContact O-N 2.95Å; F462-N465 PolarHBondContact O-N 3.29Å; N465-L469 PolarHBondContact O-N 3.11Å; N465-L469 VanDerWaalsContact O-N 3.08Å; N465-L510 HydrophobicContact CB-CB 4.18Å; N465-L510 HydrophobicContact CB-CD1 4.44Å; N465-L510 HydrophobicContact CB-CG 4.32Å
466	Q	97.9	Very high	96.5	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-65.7	-44.7	174.9	-171.8	-170.1	44.4	0	0	111.6	N361 L443 T446 F462 E463 N464 L469 E470 L510	N361-Q466 PolarHBondContact ND2-OE1 3.26Å; L443-Q466 HydrophobicContact CD2-CG 4.32Å; T446-Q466 PolarHBondContact OG1-NE2 2.96Å; F462-Q466 WeakPolarHBondContact O-CB 3.37Å; F462-Q466 PolarHBondContact O-N 3.45Å; E463-Q466 PolarHBondContact O-N 3.28Å; N464-Q466 PolarHBondContact O-N 3.35Å; Q466-L469 PolarHBondContact O-N 3.34Å; Q466-E470 WeakPolarHBondContact O-CB 3.37Å; Q466-E470 PolarHBondContact O-N 3.08Å; Q466-L510 HydrophobicContact CB-CD1 4.06Å
467	A	96.1	Very high	96.7	Very high	19 Å²	19	32.4 Å²	32.4	16%	0.157	17%	0.173	C	C	.	.	H	α-helix	trans	-62.5	-43.3	177.1	0	0	0	0	0	111.8	E463 N464 L469 E470 N471	E463-A467 PolarHBondContact O-N 3.18Å; N464-A467 PolarHBondContact O-N 2.79Å; N464-A467 VanDerWaalsContact O-N 3.11Å; A467-L469 PolarHBondContact O-N 2.97Å; A467-E470 PolarHBondContact O-N 3.34Å; A467-N471 WeakPolarHBondContact O-CB 3.45Å; A467-N471 PolarHBondContact O-N 3.04Å
468	D	97	Very high	96.6	Very high	61 Å²	61	26.2 Å²	26.2	33%	0.326	14%	0.141	S	C	.	.	H	α-helix	trans	-57.4	-48.4	174.7	-84.6	7.9	0	0	0	111.9	N464 A472 R506	N464-D468 PolarHBondContact O-N 3.14Å; D468-A472 VanDerWaalsContact O-CB 3.31Å; D468-A472 WeakPolarHBondContact O-CB 3.17Å; D468-A472 PolarHBondContact O-N 3.08Å; D468-R506 HydrophobicContact CB-CG 4.42Å; D468-R506 IonicContact OD2-NH1 2.8Å; D468-R506 PolarHBondContact OD2-NH1 3.35Å
469	L	98	Very high	96.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.7	-42	178.2	176.5	59.8	0	0	0	111.5	C439 T442 L443 N465 Q466 A467 A472 T473 R506 R507 L510	C439-L469 HydrophobicContact CB-CD1 4.15Å; T442-L469 HydrophobicContact CG2-CD2 4.29Å; L443-L469 HydrophobicContact CD1-CG 4.32Å; L443-L469 HydrophobicContact CD2-CB 4.28Å; L443-L469 HydrophobicContact CD2-CD2 3.89Å; L443-L469 HydrophobicContact CD2-CG 3.9Å; L443-L469 HydrophobicContact CG-CD2 3.94Å; L443-L469 HydrophobicContact CG-CG 4.02Å; N465-L469 PolarHBondContact O-N 3.11Å; N465-L469 VanDerWaalsContact O-N 3.08Å; Q466-L469 PolarHBondContact O-N 3.34Å; A467-L469 PolarHBondContact O-N 2.97Å; L469-A472 PolarHBondContact O-N 3.42Å; L469-T473 VanDerWaalsContact O-CB 3.27Å; L469-T473 WeakPolarHBondContact O-CB 3.49Å; L469-T473 PolarHBondContact O-N 2.93Å; L469-T473 PolarHBondContact O-OG1 3.19Å; L469-R506 HydrophobicContact CB-CB 4.22Å; L469-R506 HydrophobicContact CD1-CB 4.12Å; L469-R507 HydrophobicContact CD1-CB 3.81Å; L469-R507 HydrophobicContact CD1-CG 4.49Å; L469-R507 HydrophobicContact CD2-CB 4.21Å; L469-R507 HydrophobicContact CD2-CG 4.15Å; L469-L510 HydrophobicContact CB-CD1 4.42Å; L469-L510 HydrophobicContact CD2-CD1 4.01Å
470	E	96.8	Very high	96.5	Very high	24 Å²	24	24.2 Å²	24.2	11%	0.112	13%	0.131	C	C	.	.	H	α-helix	trans	-61.1	-51.3	179	-170.7	164.5	89	0	0	110.2	H395 L443 Y447 Q466 A467 A472 T473 E474	H395-E470 IonicContact CE1-OE2 2.76Å; H395-E470 IonicContact NE2-OE2 2.78Å; H395-E470 PolarHBondContact NE2-OE2 2.76Å; L443-E470 HydrophobicContact CD1-CB 4.4Å; L443-E470 HydrophobicContact CD2-CB 3.99Å; Y447-E470 WeakPolarHBondContact CE2-OE2 3.42Å; Y447-E470 VanDerWaalsContact OH-CD 3.3Å; Y447-E470 PolarHBondContact OH-OE1 3.3Å; Y447-E470 PolarHBondContact OH-OE2 3.22Å; Q466-E470 WeakPolarHBondContact O-CB 3.37Å; Q466-E470 PolarHBondContact O-N 3.08Å; A467-E470 PolarHBondContact O-N 3.34Å; E470-A472 PolarHBondContact O-N 3.16Å; E470-T473 WeakPolarHBondContact O-CB 3.32Å; E470-T473 PolarHBondContact O-N 3.14Å; E470-E474 WeakPolarHBondContact O-CG 3.27Å; E470-E474 PolarHBondContact O-N 3.15Å
471	N	95.9	Very high	96.3	Very high	44 Å²	44	22.2 Å²	22.2	24%	0.235	12%	0.12	C	C	.	.	H	α-helix	trans	-58.6	-48.1	177.1	-175.7	-88.9	0	0	0	112.3	H353 A467 T473 E474 V475	H353-N471 PolarHBondContact O-ND2 2.83Å; A467-N471 WeakPolarHBondContact O-CB 3.45Å; A467-N471 PolarHBondContact O-N 3.04Å; N471-T473 VanDerWaalsContact C-N 3.27Å; N471-T473 PolarHBondContact O-N 3.31Å; N471-E474 PolarHBondContact O-N 2.82Å; N471-V475 WeakPolarHBondContact O-CG2 3.31Å; N471-V475 PolarHBondContact O-N 3.08Å
472	A	97.8	Very high	96	Very high	4 Å²	4	22 Å²	22	3%	0.033	12%	0.115	C	C	.	.	H	α-helix	trans	-57.2	-43.2	177.3	0	0	0	0	0	111.7	D468 L469 E470 V475 L476 Y502 C503 R506	D468-A472 VanDerWaalsContact O-CB 3.31Å; D468-A472 WeakPolarHBondContact O-CB 3.17Å; D468-A472 PolarHBondContact O-N 3.08Å; L469-A472 PolarHBondContact O-N 3.42Å; E470-A472 PolarHBondContact O-N 3.16Å; A472-V475 PolarHBondContact O-N 2.89Å; A472-L476 PolarHBondContact O-N 3.33Å; A472-Y502 HydrophobicContact CB-CD1 3.71Å; A472-Y502 HydrophobicContact CB-CE1 3.78Å; A472-C503 PolarHBondContact O-SG 2.95Å; A472-R506 HydrophobicContact CB-CG 4.27Å
473	T	98	Very high	95.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.7	-43.8	178.9	-58.4	0	0	0	0	111.5	L436 C439 R440 L443 L469 E470 N471 L476 S477	L436-T473 HydrophobicContact CD1-CG2 3.67Å; C439-T473 HydrophobicContact CB-CG2 4.12Å; C439-T473 WeakPolarHBondContact CB-OG1 3.32Å; R440-T473 HydrophobicContact CG-CG2 4.25Å; L443-T473 HydrophobicContact CD1-CG2 3.92Å; L443-T473 WeakPolarHBondContact CD1-OG1 3.38Å; L469-T473 VanDerWaalsContact O-CB 3.27Å; L469-T473 WeakPolarHBondContact O-CB 3.49Å; L469-T473 PolarHBondContact O-N 2.93Å; L469-T473 PolarHBondContact O-OG1 3.19Å; E470-T473 WeakPolarHBondContact O-CB 3.32Å; E470-T473 PolarHBondContact O-N 3.14Å; N471-T473 VanDerWaalsContact C-N 3.27Å; N471-T473 PolarHBondContact O-N 3.31Å; T473-L476 PolarHBondContact O-N 3.45Å; T473-S477 VanDerWaalsContact O-CB 3.25Å; T473-S477 WeakPolarHBondContact O-CB 3.25Å; T473-S477 PolarHBondContact O-N 2.84Å
474	E	96.8	Very high	95.2	Very high	7 Å²	7	24.6 Å²	24.6	3%	0.033	13%	0.129	C	C	.	.	H	α-helix	trans	-66.5	-38.3	177.2	-60.6	-56.2	163.9	0	0	112.2	N329 W350 R440 E470 N471 S477 G478	N329-E474 PolarHBondContact N-OE2 2.68Å; N329-E474 PolarHBondContact ND2-OE1 3.04Å; W350-E474 HydrophobicContact CH2-CB 3.7Å; W350-E474 HydrophobicContact CH2-CG 3.96Å; W350-E474 HydrophobicContact CZ2-CB 4.14Å; R440-E474 IonicContact CZ-OE1 2.78Å; R440-E474 IonicContact CZ-OE2 3.95Å; R440-E474 IonicContact NH1-OE1 2.69Å; R440-E474 PolarHBondContact NH1-OE1 2.92Å; R440-E474 IonicContact NH1-OE2 2.72Å; R440-E474 IonicContact NH2-OE1 3.36Å; R440-E474 PolarHBondContact NH2-OE1 3.28Å; R440-E474 IonicContact NH2-OE2 3.98Å; R440-E474 PolarHBondContact NH2-OE2 2.83Å; E470-E474 WeakPolarHBondContact O-CG 3.27Å; E470-E474 PolarHBondContact O-N 3.15Å; N471-E474 PolarHBondContact O-N 2.82Å; E474-S477 PolarHBondContact O-N 2.99Å; E474-G478 PolarHBondContact O-N 2.89Å
475	V	96.4	Very high	94.6	Very high	57 Å²	57	25.6 Å²	25.6	35%	0.345	14%	0.141	S	C	.	.	H	α-helix	trans	-63.3	-41.6	175.3	170.7	0	0	0	0	111.2	N471 A472 Y479 K499	N471-V475 WeakPolarHBondContact O-CG2 3.31Å; N471-V475 PolarHBondContact O-N 3.08Å; A472-V475 PolarHBondContact O-N 2.89Å; V475-Y479 VanDerWaalsContact O-CB 3.28Å; V475-Y479 WeakPolarHBondContact O-CB 3.24Å; V475-Y479 PolarHBondContact O-N 3.39Å; V475-Y479 VanDerWaalsContact O-N 3.17Å; V475-K499 HydrophobicContact CG1-CD 4.22Å; V475-K499 HydrophobicContact CG1-CG 4.42Å
476	L	97.3	Very high	94.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67.7	-45.9	175.2	177	62.4	0	0	0	111.6	L436 A472 T473 Y479 L480 K499 C503	L436-L476 HydrophobicContact CB-CD2 3.87Å; L436-L476 HydrophobicContact CB-CG 4.44Å; L436-L476 HydrophobicContact CD1-CB 4.48Å; L436-L476 HydrophobicContact CD1-CD2 4.19Å; L436-L476 HydrophobicContact CD1-CG 4.3Å; A472-L476 PolarHBondContact O-N 3.33Å; T473-L476 PolarHBondContact O-N 3.45Å; L476-Y479 PolarHBondContact O-N 3.28Å; L476-L480 HydrophobicContact CD1-CD1 3.92Å; L476-L480 HydrophobicContact CD1-CG 4.14Å; L476-L480 HydrophobicContact CG-CD1 4.07Å; L476-L480 WeakPolarHBondContact O-CG 3.48Å; L476-L480 PolarHBondContact O-N 3.39Å; L476-K499 HydrophobicContact CB-CB 4.44Å; L476-K499 HydrophobicContact CD1-CB 3.83Å; L476-C503 HydrophobicContact CD2-CB 4.37Å
477	S	96.7	Very high	93.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.6	-50.4	179.7	179.8	0	0	0	0	111.5	C328 T473 E474 Y479 L480 E481	C328-S477 VanDerWaalsContact CA-OG 3.31Å; C328-S477 WeakPolarHBondContact CA-OG 3.4Å; C328-S477 WeakPolarHBondContact CB-OG 3.32Å; C328-S477 PolarHBondContact N-OG 3.29Å; T473-S477 VanDerWaalsContact O-CB 3.25Å; T473-S477 WeakPolarHBondContact O-CB 3.25Å; T473-S477 PolarHBondContact O-N 2.84Å; E474-S477 PolarHBondContact O-N 2.99Å; S477-Y479 VanDerWaalsContact C-N 3.32Å; S477-Y479 PolarHBondContact O-N 3.24Å; S477-L480 PolarHBondContact O-N 3.25Å; S477-E481 WeakPolarHBondContact O-CB 3.46Å; S477-E481 WeakPolarHBondContact O-CG 3.49Å; S477-E481 PolarHBondContact O-N 3.42Å; S477-E481 PolarHBondContact OG-OE1 3.46Å
478	G	94.2	Very high	93	Very high	3 Å²	3	36 Å²	36	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-61	-39.6	177.6	0	0	0	0	0	112.9	C328 E474 E481 R482	C328-G478 VanDerWaalsContact SG-CA 3.54Å; E474-G478 PolarHBondContact O-N 2.89Å; G478-E481 PolarHBondContact O-N 2.95Å; G478-R482 PolarHBondContact O-N 3.1Å
479	Y	94.7	Very high	92.2	Very high	8 Å²	8	35.7 Å²	35.7	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-64.1	-45.9	177.1	-171.5	-92.4	0	0	0	111.9	V475 L476 S477 E481 D483 I484 D487 K495 V496 K499	V475-Y479 VanDerWaalsContact O-CB 3.28Å; V475-Y479 WeakPolarHBondContact O-CB 3.24Å; V475-Y479 PolarHBondContact O-N 3.39Å; V475-Y479 VanDerWaalsContact O-N 3.17Å; L476-Y479 PolarHBondContact O-N 3.28Å; S477-Y479 VanDerWaalsContact C-N 3.32Å; S477-Y479 PolarHBondContact O-N 3.24Å; Y479-E481 VanDerWaalsContact C-N 3.34Å; Y479-E481 PolarHBondContact O-N 3.21Å; Y479-D483 HydrophobicContact CD2-CB 3.65Å; Y479-D483 HydrophobicContact CE2-CB 4.01Å; Y479-D483 HydrophobicContact CG-CB 4.35Å; Y479-D483 PolarHBondContact O-N 2.79Å; Y479-I484 HydrophobicContact CD1-CB 4.49Å; Y479-I484 HydrophobicContact CE1-CB 4.21Å; Y479-I484 HydrophobicContact CE1-CG1 4.41Å; Y479-I484 WeakPolarHBondContact O-CB 3.34Å; Y479-I484 PolarHBondContact O-N 3.01Å; Y479-D487 WeakPolarHBondContact CE2-OD2 3.17Å; Y479-D487 VanDerWaalsContact CZ-OD2 3.27Å; Y479-D487 PolarHBondContact OH-OD2 3.39Å; Y479-K495 HydrophobicContact CE1-CB 4.28Å; Y479-K495 HydrophobicContact CE2-CB 4.28Å; Y479-K495 HydrophobicContact CE2-CD 3.98Å; Y479-K495 VanDerWaalsContact OH-CD 3.31Å; Y479-K495 WeakPolarHBondContact OH-CD 3.19Å; Y479-V496 HydrophobicContact CD1-CG2 3.9Å; Y479-V496 HydrophobicContact CE1-CG2 3.49Å; Y479-V496 VanDerWaalsContact CE1-CG2 3.49Å; Y479-K499 HydrophobicContact CD1-CD 4.2Å; Y479-K499 HydrophobicContact CD2-CD 4.25Å; Y479-K499 HydrophobicContact CG-CD 3.81Å
480	L	93.6	Very high	91.2	Very high	8 Å²	8	43.7 Å²	43.7	4%	0.042	23%	0.229	C	C	.	.	H	α-helix	trans	-68.9	-30.5	178.7	-69.1	175.1	0	0	0	113	L405 A432 V433 L436 L476 S477 I484 V496	L405-L480 HydrophobicContact CD1-CB 4.46Å; A432-L480 HydrophobicContact CB-CD1 4.28Å; A432-L480 HydrophobicContact CB-CD2 4.49Å; V433-L480 HydrophobicContact CG2-CD1 4.26Å; L436-L480 HydrophobicContact CD2-CD1 4.04Å; L476-L480 HydrophobicContact CD1-CD1 3.92Å; L476-L480 HydrophobicContact CD1-CG 4.14Å; L476-L480 HydrophobicContact CG-CD1 4.07Å; L476-L480 WeakPolarHBondContact O-CG 3.48Å; L476-L480 PolarHBondContact O-N 3.39Å; S477-L480 PolarHBondContact O-N 3.25Å; L480-I484 HydrophobicContact CD2-CD1 4.23Å; L480-I484 WeakPolarHBondContact O-CG2 3.28Å; L480-V496 HydrophobicContact CD2-CG1 4.44Å; L480-V496 HydrophobicContact CD2-CG2 4.31Å
481	E	91.3	Very high	90.8	Very high	44 Å²	44	46.2 Å²	46.2	21%	0.206	24%	0.243	C	C	.	.	H	α-helix	trans	-83.5	-32.2	-178.8	-79	176.9	-159.9	0	0	114	G327 C328 L405 S477 G478 Y479	G327-E481 VanDerWaalsContact CA-OE1 3.28Å; G327-E481 WeakPolarHBondContact CA-OE1 3.45Å; G327-E481 PolarHBondContact N-OE1 3.14Å; G327-E481 PolarHBondContact N-OE2 2.92Å; C328-E481 WeakPolarHBondContact CB-OE2 3.33Å; C328-E481 PolarHBondContact N-OE1 3.25Å; C328-E481 PolarHBondContact N-OE2 2.96Å; L405-E481 HydrophobicContact CD1-CG 4.25Å; L405-E481 HydrophobicContact CD2-CG 3.84Å; S477-E481 WeakPolarHBondContact O-CB 3.46Å; S477-E481 WeakPolarHBondContact O-CG 3.49Å; S477-E481 PolarHBondContact O-N 3.42Å; S477-E481 PolarHBondContact OG-OE1 3.46Å; G478-E481 PolarHBondContact O-N 2.95Å; Y479-E481 VanDerWaalsContact C-N 3.34Å; Y479-E481 PolarHBondContact O-N 3.21Å
482	R	89.2	Confident	90.4	Very high	70 Å²	70	44.1 Å²	44.1	26%	0.264	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.9	-55.1	-169.9	-59.8	-174.9	-59.4	-125.6	5.2	113.4	H330 G478 I484 S485	H330-R482 PolarHBondContact ND1-NH2 3.49Å; H330-R482 PolarHBondContact O-NH1 3.47Å; G478-R482 PolarHBondContact O-N 3.1Å; R482-I484 PolarHBondContact O-N 3.02Å; R482-S485 PolarHBondContact O-OG 3.07Å
483	D	88.8	Confident	90	Very high	60 Å²	60	47.3 Å²	47.3	32%	0.321	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-78.5	-26.5	-163.3	-50.7	-20.5	0	0	0	112.2	Y479 S485 Q486 D487	Y479-D483 HydrophobicContact CD2-CB 3.65Å; Y479-D483 HydrophobicContact CE2-CB 4.01Å; Y479-D483 HydrophobicContact CG-CB 4.35Å; Y479-D483 PolarHBondContact O-N 2.79Å; D483-S485 PolarHBondContact O-N 2.71Å; D483-S485 VanDerWaalsContact O-N 3.1Å; D483-Q486 WeakPolarHBondContact O-CB 3.27Å; D483-Q486 PolarHBondContact O-N 2.87Å; D483-D487 PolarHBondContact O-N 2.82Å
484	I	88.2	Confident	89.7	Confident	15 Å²	15	52.3 Å²	52.3	8%	0.077	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-56	-29.7	178.2	-168.3	168.8	0	0	0	112.9	L429 Y479 L480 R482 Q486 I492	L429-I484 HydrophobicContact CD2-CD1 3.82Å; Y479-I484 HydrophobicContact CD1-CB 4.49Å; Y479-I484 HydrophobicContact CE1-CB 4.21Å; Y479-I484 HydrophobicContact CE1-CG1 4.41Å; Y479-I484 WeakPolarHBondContact O-CB 3.34Å; Y479-I484 PolarHBondContact O-N 3.01Å; L480-I484 HydrophobicContact CD2-CD1 4.23Å; L480-I484 WeakPolarHBondContact O-CG2 3.28Å; R482-I484 PolarHBondContact O-N 3.02Å; I484-Q486 VanDerWaalsContact C-N 3.28Å; I484-Q486 PolarHBondContact O-N 3.06Å; I484-I492 HydrophobicContact CD1-CG2 3.93Å; I484-I492 HydrophobicContact CG1-CD1 3.9Å; I484-I492 HydrophobicContact CG1-CG1 4.06Å; I484-I492 HydrophobicContact CG1-CG2 3.92Å; I484-I492 WeakPolarHBondContact O-CD1 3.39Å
485	S	85	Confident	89.6	Confident	88 Å²	88	55.7 Å²	55.7	62%	0.615	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-72.3	-20.8	178.2	-7.6	0	0	0	0	113.5	R482 D483	R482-S485 PolarHBondContact O-OG 3.07Å; D483-S485 PolarHBondContact O-N 2.71Å; D483-S485 VanDerWaalsContact O-N 3.1Å
486	Q	86.6	Confident	89.5	Confident	160 Å²	160	53 Å²	53	75%	0.748	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-16.2	-173.8	-57.3	180	1	0	0	112.4	D483 I484	D483-Q486 WeakPolarHBondContact O-CB 3.27Å; D483-Q486 PolarHBondContact O-N 2.87Å; I484-Q486 VanDerWaalsContact C-N 3.28Å; I484-Q486 PolarHBondContact O-N 3.06Å
487	D	86.6	Confident	89.4	Confident	45 Å²	45	54.6 Å²	54.6	24%	0.241	27%	0.274	C	S	.	.	S	Bend	trans	-92.5	155.2	-176.6	-84.7	-30.5	0	0	0	113.3	Y479 D483 I492 K495	Y479-D487 WeakPolarHBondContact CE2-OD2 3.17Å; Y479-D487 VanDerWaalsContact CZ-OD2 3.27Å; Y479-D487 PolarHBondContact OH-OD2 3.39Å; D483-D487 PolarHBondContact O-N 2.82Å; D487-I492 HydrophobicContact CB-CG1 3.82Å; D487-K495 IonicContact OD1-NZ 3.53Å; D487-K495 PolarHBondContact OD1-NZ 3.41Å; D487-K495 WeakPolarHBondContact OD2-CD 3.44Å; D487-K495 IonicContact OD2-NZ 2.83Å; D487-K495 PolarHBondContact OD2-NZ 2.94Å
488	S	85	Confident	89.4	Confident	59 Å²	59	58.2 Å²	58.2	41%	0.413	29%	0.294	S	S	.	.			trans	-69.6	152.1	173.2	84.2	0	0	0	0	111.3	Q490 D491 I492	S488-Q490 PolarHBondContact O-N 2.77Å; S488-Q490 VanDerWaalsContact O-N 3.11Å; S488-D491 PolarHBondContact O-N 3.41Å; S488-D491 VanDerWaalsContact O-N 3.08Å; S488-D491 PolarHBondContact OG-N 3.27Å; S488-D491 PolarHBondContact OG-OD2 3.37Å; S488-I492 VanDerWaalsContact O-CG1 3.31Å; S488-I492 WeakPolarHBondContact O-CG1 3.06Å; S488-I492 PolarHBondContact O-N 2.78Å; S488-I492 VanDerWaalsContact O-N 3.08Å
489	L	78.8	Confident	89.5	Confident	53 Å²	53	60.9 Å²	60.9	28%	0.277	30%	0.304	S	S	.	.	H	α-helix	trans	-56.9	-30.9	-179.7	-66.5	-176.6	0	0	0	113.5	M416 H419 I492	M416-L489 HydrophobicContact CG-CD2 3.77Å; H419-L489 HydrophobicContact CB-CD1 3.64Å; L489-I492 HydrophobicContact CD2-CD1 4.25Å
490	Q	78	Confident	89.7	Confident	169 Å²	169	60.9 Å²	60.9	79%	0.79	30%	0.304	S	S	*	.	H	α-helix	trans	-72.8	-40.7	178.6	-173	171.4	-5.4	0	0	111.7	S488	S488-Q490 PolarHBondContact O-N 2.77Å; S488-Q490 VanDerWaalsContact O-N 3.11Å
491	D	87.1	Confident	89.9	Confident	76 Å²	76	66.2 Å²	66.2	41%	0.406	32%	0.324	S	S	.	.	H	α-helix	trans	-72.2	-35.6	-179.3	-61.5	-40.6	0	0	0	112.2	S488 K493 Q494 K495	S488-D491 PolarHBondContact O-N 3.41Å; S488-D491 VanDerWaalsContact O-N 3.08Å; S488-D491 PolarHBondContact OG-N 3.27Å; S488-D491 PolarHBondContact OG-OD2 3.37Å; D491-K493 VanDerWaalsContact C-N 3.27Å; D491-K493 PolarHBondContact O-N 3.21Å; D491-Q494 PolarHBondContact O-N 3.17Å; D491-K495 HydrophobicContact CB-CD 4.27Å; D491-K495 WeakPolarHBondContact O-CB 3.28Å; D491-K495 WeakPolarHBondContact O-CG 3.31Å; D491-K495 PolarHBondContact O-N 2.97Å
492	I	89.3	Confident	90.2	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-55.1	-43.9	179.7	-70	168.6	0	0	0	110.9	F428 L429 I484 D487 S488 L489 Q494 V496	F428-I492 HydrophobicContact CE2-CG2 4.25Å; F428-I492 HydrophobicContact CZ-CG2 4.25Å; L429-I492 HydrophobicContact CD2-CG2 4.22Å; I484-I492 HydrophobicContact CD1-CG2 3.93Å; I484-I492 HydrophobicContact CG1-CD1 3.9Å; I484-I492 HydrophobicContact CG1-CG1 4.06Å; I484-I492 HydrophobicContact CG1-CG2 3.92Å; I484-I492 WeakPolarHBondContact O-CD1 3.39Å; D487-I492 HydrophobicContact CB-CG1 3.82Å; S488-I492 VanDerWaalsContact O-CG1 3.31Å; S488-I492 WeakPolarHBondContact O-CG1 3.06Å; S488-I492 PolarHBondContact O-N 2.78Å; S488-I492 VanDerWaalsContact O-N 3.08Å; L489-I492 HydrophobicContact CD2-CD1 4.25Å; I492-Q494 PolarHBondContact O-N 3.39Å; I492-V496 HydrophobicContact CG2-CG2 3.93Å; I492-V496 VanDerWaalsContact O-CB 3.26Å; I492-V496 WeakPolarHBondContact O-CB 3.28Å; I492-V496 WeakPolarHBondContact O-CG2 3.44Å; I492-V496 PolarHBondContact O-N 3.28Å
493	K	88.8	Confident	90.6	Very high	71 Å²	71	66.3 Å²	66.3	31%	0.309	32%	0.323	S	S	.	.	H	α-helix	trans	-58.9	-50.7	-177.6	-175.6	177.8	179.4	178.5	0	111.5	M421 E425 F428 D491 Q497	M421-K493 HydrophobicContact CE-CD 4.28Å; E425-K493 IonicContact OE1-NZ 3.53Å; F428-K493 HydrophobicContact CD1-CG 4.42Å; F428-K493 HydrophobicContact CE1-CB 4.36Å; F428-K493 HydrophobicContact CE1-CG 4.17Å; F428-K493 HydrophobicContact CE2-CB 4.45Å; F428-K493 HydrophobicContact CZ-CB 4.05Å; F428-K493 HydrophobicContact CZ-CG 4.27Å; D491-K493 VanDerWaalsContact C-N 3.27Å; D491-K493 PolarHBondContact O-N 3.21Å; K493-Q497 WeakPolarHBondContact O-CB 3.38Å; K493-Q497 WeakPolarHBondContact O-CG 3.38Å; K493-Q497 PolarHBondContact O-N 3.49Å
494	Q	91	Very high	91	Very high	105 Å²	105	65.9 Å²	65.9	49%	0.491	32%	0.319	S	S	.	.	H	α-helix	trans	-67.3	-51.8	-178.9	-173.2	61.2	42.2	0	0	110.9	D491 I492 V496 Q497 D498	D491-Q494 PolarHBondContact O-N 3.17Å; I492-Q494 PolarHBondContact O-N 3.39Å; Q494-V496 PolarHBondContact O-N 2.87Å; Q494-Q497 PolarHBondContact O-N 3.5Å; Q494-Q497 VanDerWaalsContact O-N 3.17Å; Q494-D498 PolarHBondContact NE2-OD1 2.76Å; Q494-D498 PolarHBondContact NE2-OD2 2.56Å; Q494-D498 PolarHBondContact O-N 3.24Å
495	K	94.4	Very high	91.5	Very high	79 Å²	79	67.6 Å²	67.6	34%	0.343	33%	0.333	S	S	.	.	H	α-helix	trans	-59.1	-43.8	-176.9	-72.8	175.7	172.4	-179.9	0	112.6	Y479 D487 D491 K499	Y479-K495 HydrophobicContact CE1-CB 4.28Å; Y479-K495 HydrophobicContact CE2-CB 4.28Å; Y479-K495 HydrophobicContact CE2-CD 3.98Å; Y479-K495 VanDerWaalsContact OH-CD 3.31Å; Y479-K495 WeakPolarHBondContact OH-CD 3.19Å; D487-K495 IonicContact OD1-NZ 3.53Å; D487-K495 PolarHBondContact OD1-NZ 3.41Å; D487-K495 WeakPolarHBondContact OD2-CD 3.44Å; D487-K495 IonicContact OD2-NZ 2.83Å; D487-K495 PolarHBondContact OD2-NZ 2.94Å; D491-K495 HydrophobicContact CB-CD 4.27Å; D491-K495 WeakPolarHBondContact O-CB 3.28Å; D491-K495 WeakPolarHBondContact O-CG 3.31Å; D491-K495 PolarHBondContact O-N 2.97Å; K495-K499 WeakPolarHBondContact O-CB 3.22Å; K495-K499 WeakPolarHBondContact O-CG 3.34Å; K495-K499 PolarHBondContact O-N 3.1Å; K495-K499 VanDerWaalsContact O-N 3.15Å
496	V	95.1	Very high	92.1	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-67.2	-43.4	178.3	173.8	0	0	0	0	110.8	F428 L429 A432 Y479 L480 I492 Q494 D498 K499 Y500	F428-V496 HydrophobicContact CD2-CB 3.97Å; F428-V496 HydrophobicContact CD2-CG1 3.8Å; F428-V496 HydrophobicContact CE2-CB 3.83Å; F428-V496 HydrophobicContact CE2-CG1 4.02Å; F428-V496 HydrophobicContact CE2-CG2 4.23Å; L429-V496 HydrophobicContact CD2-CG1 4.32Å; L429-V496 HydrophobicContact CD2-CG2 4.16Å; A432-V496 HydrophobicContact CB-CG1 3.36Å; Y479-V496 HydrophobicContact CD1-CG2 3.9Å; Y479-V496 HydrophobicContact CE1-CG2 3.49Å; Y479-V496 VanDerWaalsContact CE1-CG2 3.49Å; L480-V496 HydrophobicContact CD2-CG1 4.44Å; L480-V496 HydrophobicContact CD2-CG2 4.31Å; I492-V496 HydrophobicContact CG2-CG2 3.93Å; I492-V496 VanDerWaalsContact O-CB 3.26Å; I492-V496 WeakPolarHBondContact O-CB 3.28Å; I492-V496 WeakPolarHBondContact O-CG2 3.44Å; I492-V496 PolarHBondContact O-N 3.28Å; Q494-V496 PolarHBondContact O-N 2.87Å; V496-D498 PolarHBondContact O-N 2.73Å; V496-K499 PolarHBondContact O-N 3.47Å; V496-Y500 HydrophobicContact CG1-CD1 3.98Å; V496-Y500 HydrophobicContact CG1-CE1 4.47Å; V496-Y500 WeakPolarHBondContact O-CD1 3.34Å; V496-Y500 PolarHBondContact O-N 2.78Å
497	Q	94.9	Very high	92.7	Very high	33 Å²	33	60.6 Å²	60.6	15%	0.154	29%	0.286	C	S	.	.	H	α-helix	trans	-60.6	-45.7	179.5	-76.5	-171.2	-3.2	0	0	112.7	F428 K493 Q494 Y500 R501	F428-Q497 HydrophobicContact CB-CG 4.18Å; F428-Q497 HydrophobicContact CD2-CG 4.28Å; F428-Q497 HydrophobicContact CG-CG 4.42Å; K493-Q497 WeakPolarHBondContact O-CB 3.38Å; K493-Q497 WeakPolarHBondContact O-CG 3.38Å; K493-Q497 PolarHBondContact O-N 3.49Å; Q494-Q497 PolarHBondContact O-N 3.5Å; Q494-Q497 VanDerWaalsContact O-N 3.17Å; Q497-Y500 VanDerWaalsContact CA-CE1 3.42Å; Q497-Y500 HydrophobicContact CB-CE1 4.09Å; Q497-Y500 HydrophobicContact CG-CE1 3.75Å; Q497-R501 VanDerWaalsContact O-CB 3.25Å; Q497-R501 WeakPolarHBondContact O-CB 3.14Å; Q497-R501 WeakPolarHBondContact O-CD 3.31Å; Q497-R501 WeakPolarHBondContact O-CG 3.31Å; Q497-R501 PolarHBondContact O-N 3.47Å
498	D	96	Very high	93.2	Very high	76 Å²	76	66.4 Å²	66.4	41%	0.406	31%	0.305	S	S	.	.	H	α-helix	trans	-64.4	-44.2	179.3	-64.6	-22.1	0	0	0	111	Q494 V496 Y502	Q494-D498 PolarHBondContact NE2-OD1 2.76Å; Q494-D498 PolarHBondContact NE2-OD2 2.56Å; Q494-D498 PolarHBondContact O-N 3.24Å; V496-D498 PolarHBondContact O-N 2.73Å; D498-Y502 VanDerWaalsContact O-CB 3.28Å; D498-Y502 WeakPolarHBondContact O-CB 3.33Å; D498-Y502 PolarHBondContact O-N 3.03Å
499	K	97.7	Very high	93.9	Very high	59 Å²	59	66.3 Å²	66.3	26%	0.257	30%	0.301	S	S	.	.	H	α-helix	trans	-62.6	-50.3	179.3	-71.7	175.4	-168.7	-57.6	0	112.7	V475 L476 Y479 K495 V496 Y502 C503	V475-K499 HydrophobicContact CG1-CD 4.22Å; V475-K499 HydrophobicContact CG1-CG 4.42Å; L476-K499 HydrophobicContact CB-CB 4.44Å; L476-K499 HydrophobicContact CD1-CB 3.83Å; Y479-K499 HydrophobicContact CD1-CD 4.2Å; Y479-K499 HydrophobicContact CD2-CD 4.25Å; Y479-K499 HydrophobicContact CG-CD 3.81Å; K495-K499 WeakPolarHBondContact O-CB 3.22Å; K495-K499 WeakPolarHBondContact O-CG 3.34Å; K495-K499 PolarHBondContact O-N 3.1Å; K495-K499 VanDerWaalsContact O-N 3.15Å; V496-K499 PolarHBondContact O-N 3.47Å; K499-Y502 PolarHBondContact O-N 3.15Å; K499-C503 PolarHBondContact O-N 3.02Å; K499-C503 PolarHBondContact O-SG 2.65Å
500	Y	97.4	Very high	94.8	Very high	8 Å²	8	63.8 Å²	63.8	3%	0.031	29%	0.288	C	S	.	.	H	α-helix	trans	-71.2	-34.5	-178.5	80.8	-114.3	0	0	0	112.2	F428 K431 A432 V435 V496 Q497 Y502 C503 E504	F428-Y500 HydrophobicContact CB-CE1 4.37Å; K431-Y500 HydrophobicContact CD-CE2 3.97Å; K431-Y500 HydrophobicContact CG-CE2 4.25Å; A432-Y500 HydrophobicContact CB-CD1 3.67Å; A432-Y500 HydrophobicContact CB-CE1 4.49Å; A432-Y500 HydrophobicContact CB-CG 4.25Å; V435-Y500 HydrophobicContact CG2-CD2 4.14Å; V496-Y500 HydrophobicContact CG1-CD1 3.98Å; V496-Y500 HydrophobicContact CG1-CE1 4.47Å; V496-Y500 WeakPolarHBondContact O-CD1 3.34Å; V496-Y500 PolarHBondContact O-N 2.78Å; Q497-Y500 VanDerWaalsContact CA-CE1 3.42Å; Q497-Y500 HydrophobicContact CB-CE1 4.09Å; Q497-Y500 HydrophobicContact CG-CE1 3.75Å; Y500-Y502 VanDerWaalsContact C-N 3.31Å; Y500-C503 PolarHBondContact O-N 3.47Å; Y500-E504 WeakPolarHBondContact O-CB 3.14Å; Y500-E504 PolarHBondContact O-N 3.24Å
501	R	98.1	Very high	95.8	Very high	121 Å²	121	56.5 Å²	56.5	46%	0.457	26%	0.255	S	S	.	.	H	α-helix	trans	-64.5	-39.9	175	-74.5	174.1	-177.2	154.4	2.2	111	Q497 E504 S505	Q497-R501 VanDerWaalsContact O-CB 3.25Å; Q497-R501 WeakPolarHBondContact O-CB 3.14Å; Q497-R501 WeakPolarHBondContact O-CD 3.31Å; Q497-R501 WeakPolarHBondContact O-CG 3.31Å; Q497-R501 PolarHBondContact O-N 3.47Å; R501-E504 PolarHBondContact O-N 2.86Å; R501-S505 WeakPolarHBondContact O-CB 3.31Å; R501-S505 PolarHBondContact O-N 3.14Å
502	Y	97.9	Very high	96.3	Very high	114 Å²	114	57.4 Å²	57.4	45%	0.447	26%	0.256	S	S	.	.	H	α-helix	trans	-63.6	-45.3	174.6	-174.6	-114.3	0	0	0	111.8	A472 D498 K499 Y500 E504 S505 R506	A472-Y502 HydrophobicContact CB-CD1 3.71Å; A472-Y502 HydrophobicContact CB-CE1 3.78Å; D498-Y502 VanDerWaalsContact O-CB 3.28Å; D498-Y502 WeakPolarHBondContact O-CB 3.33Å; D498-Y502 PolarHBondContact O-N 3.03Å; K499-Y502 PolarHBondContact O-N 3.15Å; Y500-Y502 VanDerWaalsContact C-N 3.31Å; Y502-E504 PolarHBondContact O-N 2.83Å; Y502-S505 WeakPolarHBondContact O-CB 3.5Å; Y502-S505 PolarHBondContact O-N 3.37Å; Y502-R506 HydrophobicContact CD1-CG 4.33Å; Y502-R506 HydrophobicContact CD2-CG 4.49Å; Y502-R506 HydrophobicContact CE1-CG 3.94Å; Y502-R506 HydrophobicContact CE2-CG 4.11Å; Y502-R506 WeakPolarHBondContact O-CG 3.47Å; Y502-R506 PolarHBondContact O-N 3.46Å
503	C	98	Very high	96.7	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.007	26%	0.262	C	S	.	.	H	α-helix	trans	-57.1	-47.9	173.9	-66	0	0	0	0	112.1	V435 A472 L476 K499 Y500 S505 R506 R507	V435-C503 HydrophobicContact CG1-CB 4.17Å; A472-C503 PolarHBondContact O-SG 2.95Å; L476-C503 HydrophobicContact CD2-CB 4.37Å; K499-C503 PolarHBondContact O-N 3.02Å; K499-C503 PolarHBondContact O-SG 2.65Å; Y500-C503 PolarHBondContact O-N 3.47Å; C503-S505 VanDerWaalsContact C-N 3.31Å; C503-S505 PolarHBondContact O-N 3.14Å; C503-R506 PolarHBondContact O-N 3.46Å; C503-R507 WeakPolarHBondContact O-CB 3.45Å; C503-R507 PolarHBondContact O-N 2.66Å
504	E	97.6	Very high	97.1	Very high	51 Å²	51	55.2 Å²	55.2	24%	0.238	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-40.2	178.8	-176	169.6	-139.8	0	0	111.8	V435 Y500 R501 Y502 R507 R508	V435-E504 HydrophobicContact CG1-CB 4.12Å; Y500-E504 WeakPolarHBondContact O-CB 3.14Å; Y500-E504 PolarHBondContact O-N 3.24Å; R501-E504 PolarHBondContact O-N 2.86Å; Y502-E504 PolarHBondContact O-N 2.83Å; E504-R507 PolarHBondContact O-N 3.49Å; E504-R508 WeakPolarHBondContact O-CB 3.33Å; E504-R508 PolarHBondContact O-N 3.33Å
505	S	98.3	Very high	97.4	Very high	51 Å²	51	53.3 Å²	53.3	36%	0.357	24%	0.238	S	C	.	.	H	α-helix	trans	-61.9	-51.7	173.7	175.7	0	0	0	0	111.9	R501 Y502 C503 R507 R508 V509	R501-S505 WeakPolarHBondContact O-CB 3.31Å; R501-S505 PolarHBondContact O-N 3.14Å; Y502-S505 WeakPolarHBondContact O-CB 3.5Å; Y502-S505 PolarHBondContact O-N 3.37Å; C503-S505 VanDerWaalsContact C-N 3.31Å; C503-S505 PolarHBondContact O-N 3.14Å; S505-R507 VanDerWaalsContact C-N 3.28Å; S505-R507 PolarHBondContact O-N 3.15Å; S505-R508 WeakPolarHBondContact O-CB 3.27Å; S505-R508 PolarHBondContact O-N 2.89Å; S505-R508 VanDerWaalsContact O-N 3.15Å; S505-V509 WeakPolarHBondContact O-CG2 3.4Å; S505-V509 PolarHBondContact O-N 3.26Å
506	R	98.3	Very high	97.6	Very high	57 Å²	57	52.9 Å²	52.9	22%	0.215	24%	0.237	C	C	.	.	H	α-helix	trans	-59	-40.4	177.4	-67	-57.3	86.3	-177	1	111.9	D468 L469 A472 Y502 C503 V509 L510	D468-R506 HydrophobicContact CB-CG 4.42Å; D468-R506 IonicContact OD2-NH1 2.8Å; D468-R506 PolarHBondContact OD2-NH1 3.35Å; L469-R506 HydrophobicContact CB-CB 4.22Å; L469-R506 HydrophobicContact CD1-CB 4.12Å; A472-R506 HydrophobicContact CB-CG 4.27Å; Y502-R506 HydrophobicContact CD1-CG 4.33Å; Y502-R506 HydrophobicContact CD2-CG 4.49Å; Y502-R506 HydrophobicContact CE1-CG 3.94Å; Y502-R506 HydrophobicContact CE2-CG 4.11Å; Y502-R506 WeakPolarHBondContact O-CG 3.47Å; Y502-R506 PolarHBondContact O-N 3.46Å; C503-R506 PolarHBondContact O-N 3.46Å; R506-V509 PolarHBondContact O-N 3.43Å; R506-L510 PolarHBondContact O-N 2.72Å
507	R	98.4	Very high	97.7	Very high	45 Å²	45	53 Å²	53	17%	0.17	24%	0.238	C	C	.	.	H	α-helix	trans	-62.3	-45.3	176.1	-167.9	-176.4	74.5	135.6	-9.3	111.3	T442 L469 C503 E504 S505 L510 L511	T442-R507 HydrophobicContact CG2-CG 4.02Å; L469-R507 HydrophobicContact CD1-CB 3.81Å; L469-R507 HydrophobicContact CD1-CG 4.49Å; L469-R507 HydrophobicContact CD2-CB 4.21Å; L469-R507 HydrophobicContact CD2-CG 4.15Å; C503-R507 WeakPolarHBondContact O-CB 3.45Å; C503-R507 PolarHBondContact O-N 2.66Å; E504-R507 PolarHBondContact O-N 3.49Å; S505-R507 VanDerWaalsContact C-N 3.28Å; S505-R507 PolarHBondContact O-N 3.15Å; R507-L510 PolarHBondContact O-N 3.43Å; R507-L511 HydrophobicContact CG-CD1 4.22Å; R507-L511 WeakPolarHBondContact O-CG 3.2Å; R507-L511 PolarHBondContact O-N 3.43Å
508	R	98.2	Very high	97.7	Very high	167 Å²	167	53.4 Å²	53.4	63%	0.63	24%	0.239	S	C	*	.	H	α-helix	trans	-62.3	-45.9	178.4	-171.8	-173.9	-58.4	-115.7	-0.7	111.7	E504 S505 L510 L511 Q512	E504-R508 WeakPolarHBondContact O-CB 3.33Å; E504-R508 PolarHBondContact O-N 3.33Å; S505-R508 WeakPolarHBondContact O-CB 3.27Å; S505-R508 PolarHBondContact O-N 2.89Å; S505-R508 VanDerWaalsContact O-N 3.15Å; R508-L510 VanDerWaalsContact C-N 3.33Å; R508-L510 PolarHBondContact O-N 3.47Å; R508-L511 PolarHBondContact O-N 3.27Å; R508-Q512 VanDerWaalsContact O-CB 3.27Å; R508-Q512 WeakPolarHBondContact O-CB 3.16Å; R508-Q512 PolarHBondContact O-N 3.2Å
509	V	98.3	Very high	97.7	Very high	56 Å²	56	57 Å²	57	34%	0.339	25%	0.253	S	S	.	.	H	α-helix	trans	-58.9	-45.2	177.6	171.4	0	0	0	0	111	S505 R506 H513	S505-V509 WeakPolarHBondContact O-CG2 3.4Å; S505-V509 PolarHBondContact O-N 3.26Å; R506-V509 PolarHBondContact O-N 3.43Å; V509-H513 WeakPolarHBondContact O-CB 3.46Å; V509-H513 PolarHBondContact O-N 2.93Å
510	L	98.4	Very high	97.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.7	-50.2	176.3	-176	154.4	0	0	0	111.8	P285 T446 F462 N465 Q466 L469 R506 R507 R508 H513 V514	P285-L510 HydrophobicContact CG-CD2 4.35Å; T446-L510 HydrophobicContact CG2-CD1 3.89Å; T446-L510 HydrophobicContact CG2-CD2 3.67Å; T446-L510 HydrophobicContact CG2-CG 4.47Å; F462-L510 HydrophobicContact CE2-CD2 4.21Å; F462-L510 HydrophobicContact CE2-CG 4.39Å; N465-L510 HydrophobicContact CB-CB 4.18Å; N465-L510 HydrophobicContact CB-CD1 4.44Å; N465-L510 HydrophobicContact CB-CG 4.32Å; Q466-L510 HydrophobicContact CB-CD1 4.06Å; L469-L510 HydrophobicContact CB-CD1 4.42Å; L469-L510 HydrophobicContact CD2-CD1 4.01Å; R506-L510 PolarHBondContact O-N 2.72Å; R507-L510 PolarHBondContact O-N 3.43Å; R508-L510 VanDerWaalsContact C-N 3.33Å; R508-L510 PolarHBondContact O-N 3.47Å; L510-H513 PolarHBondContact O-N 2.87Å; L510-V514 HydrophobicContact CD2-CG2 4.4Å; L510-V514 WeakPolarHBondContact O-CG2 3.28Å; L510-V514 PolarHBondContact O-N 2.78Å; L510-V514 VanDerWaalsContact O-N 3.13Å
511	L	98.1	Very high	97.5	Very high	17 Å²	17	66.6 Å²	66.6	9%	0.089	30%	0.302	C	S	.	.	H	α-helix	trans	-65.9	-44.7	-176.8	-68.1	178.9	0	0	0	111.7	D284 P285 T442 R507 R508 H513 V514 H515	D284-L511 HydrophobicContact CB-CD2 3.98Å; P285-L511 HydrophobicContact CB-CD2 3.87Å; P285-L511 HydrophobicContact CG-CD2 4.44Å; T442-L511 HydrophobicContact CG2-CD2 3.9Å; T442-L511 HydrophobicContact CG2-CG 4.39Å; R507-L511 HydrophobicContact CG-CD1 4.22Å; R507-L511 WeakPolarHBondContact O-CG 3.2Å; R507-L511 PolarHBondContact O-N 3.43Å; R508-L511 PolarHBondContact O-N 3.27Å; L511-H513 VanDerWaalsContact C-N 3.3Å; L511-H513 PolarHBondContact O-N 2.88Å; L511-V514 PolarHBondContact O-N 3.36Å; L511-V514 VanDerWaalsContact O-N 3.1Å; L511-H515 PolarHBondContact O-CD2 2.63Å; L511-H515 VanDerWaalsContact O-CG 3.24Å; L511-H515 PolarHBondContact O-N 2.71Å
512	Q	97.9	Very high	97.4	Very high	95 Å²	95	63.9 Å²	63.9	44%	0.444	30%	0.296	S	S	.	.	H	α-helix	trans	-56.8	-44.8	176.5	-176.5	62.9	31.6	0	0	111.2	R508 V514 H515 E516	R508-Q512 VanDerWaalsContact O-CB 3.27Å; R508-Q512 WeakPolarHBondContact O-CB 3.16Å; R508-Q512 PolarHBondContact O-N 3.2Å; Q512-V514 VanDerWaalsContact C-N 3.34Å; Q512-V514 PolarHBondContact O-N 2.95Å; Q512-H515 PolarHBondContact O-N 3.39Å; Q512-E516 WeakPolarHBondContact CG-OE1 3.41Å; Q512-E516 PolarHBondContact NE2-OE1 2.95Å; Q512-E516 WeakPolarHBondContact O-CB 3.46Å; Q512-E516 WeakPolarHBondContact O-CG 3.46Å; Q512-E516 PolarHBondContact O-N 3.5Å
513	H	98.2	Very high	97.3	Very high	25 Å²	25	59.4 Å²	59.4	12%	0.116	28%	0.278	C	S	.	.	H	α-helix	trans	-60.8	-42.3	176.6	177.8	-129.6	0	0	0	112.2	Q458 F462 V509 L510 L511 G517 W523	Q458-H513 PolarHBondContact O-CE1 2.86Å; Q458-H513 PolarHBondContact OE1-NE2 2.97Å; F462-H513 PolarHBondContact N-CE1 3.29Å; V509-H513 WeakPolarHBondContact O-CB 3.46Å; V509-H513 PolarHBondContact O-N 2.93Å; L510-H513 PolarHBondContact O-N 2.87Å; L511-H513 VanDerWaalsContact C-N 3.3Å; L511-H513 PolarHBondContact O-N 2.88Å; H513-G517 PolarHBondContact O-N 3.12Å; H513-G517 VanDerWaalsContact O-N 3.1Å; H513-W523 AromaticContact CE1-CH2 3.72Å
514	V	97.8	Very high	97.1	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-66.9	-41.3	176.4	-178.2	0	0	0	0	112	P285 F449 F462 L510 L511 Q512 G517 Y518 W523	P285-V514 HydrophobicContact CB-CB 4.01Å; P285-V514 HydrophobicContact CB-CG1 3.78Å; P285-V514 HydrophobicContact CB-CG2 4.09Å; P285-V514 HydrophobicContact CG-CG2 4.49Å; F449-V514 HydrophobicContact CD2-CG1 4.49Å; F449-V514 HydrophobicContact CE1-CG1 4.3Å; F449-V514 HydrophobicContact CE1-CG2 4.16Å; F449-V514 HydrophobicContact CE2-CG1 3.83Å; F449-V514 HydrophobicContact CZ-CG1 3.72Å; F449-V514 HydrophobicContact CZ-CG2 4.34Å; F462-V514 HydrophobicContact CD2-CG2 3.57Å; F462-V514 HydrophobicContact CE2-CG2 3.86Å; L510-V514 HydrophobicContact CD2-CG2 4.4Å; L510-V514 WeakPolarHBondContact O-CG2 3.28Å; L510-V514 PolarHBondContact O-N 2.78Å; L510-V514 VanDerWaalsContact O-N 3.13Å; L511-V514 PolarHBondContact O-N 3.36Å; L511-V514 VanDerWaalsContact O-N 3.1Å; Q512-V514 VanDerWaalsContact C-N 3.34Å; Q512-V514 PolarHBondContact O-N 2.95Å; V514-G517 PolarHBondContact O-N 2.95Å; V514-Y518 HydrophobicContact CG1-CD2 4.21Å; V514-Y518 HydrophobicContact CG1-CE1 4.35Å; V514-Y518 HydrophobicContact CG1-CE2 3.59Å; V514-Y518 PolarHBondContact O-N 2.75Å; V514-W523 HydrophobicContact CB-CZ2 4.44Å; V514-W523 HydrophobicContact CG1-CZ2 4.49Å; V514-W523 HydrophobicContact CG2-CZ2 4.44Å; V514-W523 PolarHBondContact O-NE1 3.18Å
515	H	97.4	Very high	96.9	Very high	65 Å²	65	64.2 Å²	64.2	30%	0.301	30%	0.299	S	S	.	.	H	α-helix	trans	-65.8	-45.5	178.8	-65.1	168.8	0	0	0	112.1	D284 L511 Q512 G517 Y518 E519	D284-H515 IonicContact OD1-CD2 2.75Å; D284-H515 IonicContact OD1-CE1 3.44Å; D284-H515 IonicContact OD1-NE2 3.19Å; D284-H515 PolarHBondContact OD1-NE2 2.83Å; D284-H515 IonicContact OD2-CE1 2.86Å; D284-H515 IonicContact OD2-NE2 3.46Å; L511-H515 PolarHBondContact O-CD2 2.63Å; L511-H515 VanDerWaalsContact O-CG 3.24Å; L511-H515 PolarHBondContact O-N 2.71Å; Q512-H515 PolarHBondContact O-N 3.39Å; H515-G517 PolarHBondContact O-N 3.41Å; H515-Y518 WeakPolarHBondContact O-CA 3.31Å; H515-Y518 VanDerWaalsContact O-CB 3.31Å; H515-Y518 WeakPolarHBondContact O-CB 3.47Å; H515-Y518 PolarHBondContact O-N 2.91Å; H515-E519 PolarHBondContact O-N 3.09Å
516	E	97.4	Very high	96.4	Very high	69 Å²	69	64.4 Å²	64.4	32%	0.322	30%	0.295	S	S	.	.	H	α-helix	trans	-59.6	-37.3	173	-74.8	178.9	-153.5	0	0	112.1	Q512 Y518 E519 K520	Q512-E516 WeakPolarHBondContact CG-OE1 3.41Å; Q512-E516 PolarHBondContact NE2-OE1 2.95Å; Q512-E516 WeakPolarHBondContact O-CB 3.46Å; Q512-E516 WeakPolarHBondContact O-CG 3.46Å; Q512-E516 PolarHBondContact O-N 3.5Å; E516-Y518 VanDerWaalsContact C-N 3.28Å; E516-Y518 PolarHBondContact O-N 2.92Å; E516-E519 PolarHBondContact O-N 2.91Å; E516-K520 WeakPolarHBondContact O-CB 3.45Å; E516-K520 WeakPolarHBondContact O-CG 3.37Å; E516-K520 PolarHBondContact O-N 2.87Å; E516-K520 IonicContact OE2-NZ 2.73Å
517	G	96.8	Very high	95.2	Very high	2 Å²	2	67.5 Å²	67.5	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-68.8	-25.2	173.5	0	0	0	0	0	113.3	H513 V514 H515 D521 L522 W523	H513-G517 PolarHBondContact O-N 3.12Å; H513-G517 VanDerWaalsContact O-N 3.1Å; V514-G517 PolarHBondContact O-N 2.95Å; H515-G517 PolarHBondContact O-N 3.41Å; G517-D521 PolarHBondContact O-N 2.93Å; G517-L522 PolarHBondContact O-N 3.12Å; G517-W523 VanDerWaalsContact CA-NE1 3.26Å
518	Y	96.3	Very high	93.3	Very high	43 Å²	43	74.5 Å²	74.5	17%	0.169	35%	0.353	C	S	.	.	H	α-helix	trans	-72.5	-40.9	169.9	-70.5	-39.4	0	0	0	112.3	P285 K287 F449 V514 H515 E516 K520 D521 W523 Y525	P285-Y518 PolarHBondContact O-OH 3.23Å; K287-Y518 HydrophobicContact CD-CE1 4.19Å; K287-Y518 HydrophobicContact CG-CE1 4.18Å; K287-Y518 HydrophobicContact CG-CE2 4.46Å; F449-Y518 WeakPolarHBondContact CD2-OH 3.28Å; F449-Y518 HydrophobicContact CE2-CE1 4.09Å; F449-Y518 AromaticContact CE2-CZ 3.92Å; F449-Y518 VanDerWaalsContact CE2-OH 3.24Å; F449-Y518 WeakPolarHBondContact CE2-OH 3.24Å; V514-Y518 HydrophobicContact CG1-CD2 4.21Å; V514-Y518 HydrophobicContact CG1-CE1 4.35Å; V514-Y518 HydrophobicContact CG1-CE2 3.59Å; V514-Y518 PolarHBondContact O-N 2.75Å; H515-Y518 WeakPolarHBondContact O-CA 3.31Å; H515-Y518 VanDerWaalsContact O-CB 3.31Å; H515-Y518 WeakPolarHBondContact O-CB 3.47Å; H515-Y518 PolarHBondContact O-N 2.91Å; E516-Y518 VanDerWaalsContact C-N 3.28Å; E516-Y518 PolarHBondContact O-N 2.92Å; Y518-K520 VanDerWaalsContact C-N 3.3Å; Y518-K520 PolarHBondContact O-N 3.37Å; Y518-D521 PolarHBondContact O-N 2.87Å; Y518-W523 AromaticContact CD1-CD1 3.33Å; Y518-W523 HydrophobicContact CD1-CG 4.43Å; Y518-W523 AromaticContact CD1-NE1 3.85Å; Y518-W523 AromaticContact CE1-CD1 3.47Å; Y518-W523 VanDerWaalsContact CE1-CD1 3.47Å; Y518-W523 HydrophobicContact CE1-CG 4.32Å; Y518-W523 AromaticContact CE1-NE1 3.99Å; Y518-Y525 VanDerWaalsContact CE1-OH 3.26Å; Y518-Y525 WeakPolarHBondContact CE1-OH 3.26Å
519	E	95.9	Very high	93	Very high	152 Å²	152	69.9 Å²	69.9	71%	0.71	34%	0.339	S	S	*	.	H	α-helix	trans	-66.5	-34.4	178.7	-68.3	175	178.4	0	0	112.5	H515 E516	H515-E519 PolarHBondContact O-N 3.09Å; E516-E519 PolarHBondContact O-N 2.91Å
520	K	96	Very high	92.8	Very high	127 Å²	127	70.6 Å²	70.6	55%	0.552	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	6.9	-178.9	-64.7	169.9	-173.5	162.5	0	113.6	E516 Y518 L522	E516-K520 WeakPolarHBondContact O-CB 3.45Å; E516-K520 WeakPolarHBondContact O-CG 3.37Å; E516-K520 PolarHBondContact O-N 2.87Å; E516-K520 IonicContact OE2-NZ 2.73Å; Y518-K520 VanDerWaalsContact C-N 3.3Å; Y518-K520 PolarHBondContact O-N 3.37Å; K520-L522 VanDerWaalsContact C-N 3.28Å; K520-L522 HydrophobicContact CB-CD1 3.96Å; K520-L522 HydrophobicContact CB-CD2 4.12Å; K520-L522 HydrophobicContact CB-CG 3.69Å; K520-L522 HydrophobicContact CD-CD1 4.25Å; K520-L522 PolarHBondContact O-N 2.91Å
521	D	94.9	Very high	92.5	Very high	140 Å²	140	74.5 Å²	74.5	75%	0.749	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	42.2	-177.5	-70.1	-50	0	0	0	114.3	G517 Y518	G517-D521 PolarHBondContact O-N 2.93Å; Y518-D521 PolarHBondContact O-N 2.87Å
522	L	94.8	Very high	92.1	Very high	64 Å²	64	77.9 Å²	77.9	34%	0.335	37%	0.373	S	S	.	.			trans	-85.2	-5.9	-176	-57.5	178.2	0	0	0	114.2	N456 Q458 G517 K520	N456-L522 PolarHBondContact ND2-O 3.26Å; Q458-L522 HydrophobicContact CG-CB 4.1Å; Q458-L522 HydrophobicContact CG-CD1 3.95Å; G517-L522 PolarHBondContact O-N 3.12Å; K520-L522 VanDerWaalsContact C-N 3.28Å; K520-L522 HydrophobicContact CB-CD1 3.96Å; K520-L522 HydrophobicContact CB-CD2 4.12Å; K520-L522 HydrophobicContact CB-CG 3.69Å; K520-L522 HydrophobicContact CD-CD1 4.25Å; K520-L522 PolarHBondContact O-N 2.91Å
523	W	95.8	Very high	91.8	Very high	20 Å²	20	76.8 Å²	76.8	8%	0.076	37%	0.369	C	S	.	.			trans	-102.5	116.4	-175.3	-51.4	117.9	0	0	0	111.7	F449 L453 Q458 F462 H513 V514 G517 Y518 Y525	F449-W523 HydrophobicContact CE2-CG 4.38Å; F449-W523 AromaticContact CZ-CD2 3.71Å; F449-W523 HydrophobicContact CZ-CD2 3.71Å; F449-W523 AromaticContact CZ-CE2 3.93Å; F449-W523 HydrophobicContact CZ-CE3 4.01Å; F449-W523 HydrophobicContact CZ-CG 4.03Å; F449-W523 HydrophobicContact CZ-CZ2 4.45Å; F449-W523 HydrophobicContact CZ-CZ3 4.42Å; L453-W523 HydrophobicContact CD1-CB 3.96Å; L453-W523 HydrophobicContact CD1-CD2 4.23Å; L453-W523 HydrophobicContact CD1-CE3 3.65Å; L453-W523 HydrophobicContact CD1-CG 4.39Å; L453-W523 HydrophobicContact CD2-CE3 4.06Å; L453-W523 HydrophobicContact CD2-CZ3 4.11Å; L453-W523 HydrophobicContact CG-CE3 4.47Å; Q458-W523 HydrophobicContact CB-CE3 4.25Å; Q458-W523 HydrophobicContact CB-CH2 3.67Å; Q458-W523 HydrophobicContact CB-CZ3 3.44Å; Q458-W523 VanDerWaalsContact CB-CZ3 3.44Å; F462-W523 HydrophobicContact CB-CH2 4.28Å; H513-W523 AromaticContact CE1-CH2 3.72Å; V514-W523 HydrophobicContact CB-CZ2 4.44Å; V514-W523 HydrophobicContact CG1-CZ2 4.49Å; V514-W523 HydrophobicContact CG2-CZ2 4.44Å; V514-W523 PolarHBondContact O-NE1 3.18Å; G517-W523 VanDerWaalsContact CA-NE1 3.26Å; Y518-W523 AromaticContact CD1-CD1 3.33Å; Y518-W523 HydrophobicContact CD1-CG 4.43Å; Y518-W523 AromaticContact CD1-NE1 3.85Å; Y518-W523 AromaticContact CE1-CD1 3.47Å; Y518-W523 VanDerWaalsContact CE1-CD1 3.47Å; Y518-W523 HydrophobicContact CE1-CG 4.32Å; Y518-W523 AromaticContact CE1-NE1 3.99Å; W523-Y525 HydrophobicContact CB-CE2 4.11Å
524	E	94	Very high	91.3	Very high	103 Å²	103	80.3 Å²	80.3	48%	0.481	39%	0.386	S	S	.	.			trans	-99.6	145.2	169.8	-70.2	178.8	-147.7	0	0	110.1	K454	K454-E524 HydrophobicContact CB-CB 3.95Å; K454-E524 WeakPolarHBondContact CB-O 3.39Å; K454-E524 HydrophobicContact CD-CB 4.11Å; K454-E524 WeakPolarHBondContact CD-OE2 3.31Å; K454-E524 WeakPolarHBondContact CE-OE2 3.36Å; K454-E524 PolarHBondContact N-O 2.9Å; K454-E524 IonicContact NZ-OE2 3.78Å; K454-E524 PolarHBondContact NZ-OE2 3.21Å
525	Y	93.1	Very high	90.9	Very high	51 Å²	51	86 Å²	86	20%	0.2	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-122.6	148.1	-175.4	-61.6	-80.9	0	0	0	113.3	W290 F449 Y452 L453 Y518 W523	W290-Y525 AromaticContact CD1-CE1 3.81Å; W290-Y525 AromaticContact CD1-CZ 3.95Å; W290-Y525 HydrophobicContact CD2-CD1 4.28Å; W290-Y525 HydrophobicContact CD2-CG 4.49Å; W290-Y525 AromaticContact CE2-CD1 3.69Å; W290-Y525 AromaticContact CE2-CD2 3.84Å; W290-Y525 AromaticContact CE2-CG 3.55Å; W290-Y525 VanDerWaalsContact CH2-CB 3.47Å; W290-Y525 HydrophobicContact CH2-CG 4Å; W290-Y525 AromaticContact CZ2-CD1 3.91Å; W290-Y525 HydrophobicContact CZ2-CD1 3.91Å; W290-Y525 AromaticContact CZ2-CD2 3.56Å; W290-Y525 HydrophobicContact CZ2-CD2 3.56Å; W290-Y525 HydrophobicContact CZ2-CE2 4.3Å; W290-Y525 AromaticContact CZ2-CG 3.3Å; W290-Y525 HydrophobicContact CZ2-CG 3.3Å; W290-Y525 AromaticContact NE1-CD1 3.59Å; W290-Y525 AromaticContact NE1-CD2 3.66Å; W290-Y525 AromaticContact NE1-CE1 3.46Å; W290-Y525 AromaticContact NE1-CE2 3.51Å; W290-Y525 AromaticContact NE1-CG 3.67Å; W290-Y525 AromaticContact NE1-CZ 3.39Å; F449-Y525 HydrophobicContact CD2-CE1 4.38Å; F449-Y525 HydrophobicContact CE2-CE1 4.23Å; Y452-Y525 CarbonylContact O-C 3.47Å; Y452-Y525 WeakPolarHBondContact O-CA 3.23Å; L453-Y525 HydrophobicContact CD1-CE1 4.43Å; Y518-Y525 VanDerWaalsContact CE1-OH 3.26Å; Y518-Y525 WeakPolarHBondContact CE1-OH 3.26Å; W523-Y525 HydrophobicContact CB-CE2 4.11Å
526	I	88.2	Confident	90.4	Very high	54 Å²	54	87.6 Å²	87.6	28%	0.277	42%	0.422	S	S	.	.			trans	-85.4	113.6	172.4	-53.2	173.3	0	0	0	107.9	Y452 K454 D528	Y452-I526 PolarHBondContact O-N 3.06Å; K454-I526 HydrophobicContact CB-CG1 4.32Å; I526-D528 HydrophobicContact CG2-CB 4.3Å; I526-D528 WeakPolarHBondContact CG2-OD2 3.39Å; I526-D528 PolarHBondContact O-N 3.01Å
527	E	73	Confident	89.8	Confident	122 Å²	122	89.2 Å²	89.2	57%	0.57	43%	0.431	S	S	*	.			trans	-97.3	63.8	175.8	-71.7	-163.8	153.9	0	0	111.1	K289 W290	K289-E527 IonicContact NZ-OE1 3.14Å; K289-E527 PolarHBondContact NZ-OE1 3.02Å; W290-E527 HydrophobicContact CH2-CG 3.69Å; W290-E527 HydrophobicContact CZ3-CG 4.26Å
528	D	58.8	Low	89.2	Confident	192 Å²	192	97.1 Å²	97.1	100%	1.027	47%	0.468	S	S	*	.			trans	-87.3	0	170.4	-69.6	-23.4	0	0	0	112.2	I526	I526-D528 HydrophobicContact CG2-CB 4.3Å; I526-D528 WeakPolarHBondContact CG2-OD2 3.39Å; I526-D528 PolarHBondContact O-N 3.01Å

Retrieved 528 of 528 residues in 191.4 ms (Link to these results)

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