X5LX81_CAEEL Loading...

Ras-GAP domain-containing protein

AlphaFold DB , UniProt , Accession X5LX81, Species CAEEL (Caenorhabditis elegans), Gene gap-3, Length 597 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	24.4	Very low	244 Å²	244	154.5 Å²	154.5	100%	1.202	85%	0.854	S	S	*	*				0	122.4	0	-81.7	176.9	-171.7	0	0	108
2	F	21.4	Very low	24.2	Very low	209 Å²	209	149.2 Å²	149.2	92%	0.917	85%	0.845	S	S	*	*			trans	-64.7	142.3	-175.4	-82.6	-105.7	0	0	0	113.1
3	R	26.2	Very low	24	Very low	241 Å²	241	145.4 Å²	145.4	91%	0.909	83%	0.834	S	S	*	*				174.3	121.2	101.8	-93.8	-174	178.9	176.5	-0.2	110.6
4	G	21.7	Very low	23.8	Very low	69 Å²	69	142.9 Å²	142.9	71%	0.711	83%	0.829	S	S	*	*			trans	-98.9	163.2	153.9	0	0	0	0	0	110.8
5	T	26.9	Very low	23.7	Very low	137 Å²	137	141.7 Å²	141.7	84%	0.84	83%	0.832	S	S	*	*			trans	-174	108.1	160.8	39.8	0	0	0	0	103.5
6	S	20.7	Very low	23.6	Very low	110 Å²	110	139.3 Å²	139.3	77%	0.769	83%	0.826	S	S	*	*				64.4	136.5	56.5	-154.6	0	0	0	0	116
7	I	25.1	Very low	23.5	Very low	147 Å²	147	143.4 Å²	143.4	75%	0.754	83%	0.831	S	S	*	*			trans	108.7	94.3	155.9	-50.7	175.3	0	0	0	117.5
8	D	22.7	Very low	23.4	Very low	138 Å²	138	144.3 Å²	144.3	74%	0.738	83%	0.831	S	S	*	*				34.9	139.9	118.4	-64.7	-39.5	0	0	0	124.9
9	T	23.2	Very low	23.4	Very low	132 Å²	132	143.9 Å²	143.9	81%	0.81	83%	0.832	S	S	*	*			trans	69.7	121.3	141.4	37.7	0	0	0	0	121.5
10	A	23.5	Very low	23.3	Very low	104 Å²	104	141.7 Å²	141.7	86%	0.86	83%	0.825	S	S	*	*				-174.8	145	106.4	0	0	0	0	0	113.2
11	L	21.3	Very low	23.2	Very low	169 Å²	169	141 Å²	141	89%	0.885	83%	0.828	S	S	*	*			trans	-83.7	167.7	178.9	-91.5	132.2	0	0	0	113.4
12	A	22.7	Very low	22.7	Very low	90 Å²	90	135.4 Å²	135.4	74%	0.744	81%	0.807	S	S	*	*			trans	84.2	138.7	154.2	0	0	0	0	0	116
13	S	21.5	Very low	22.8	Very low	100 Å²	100	130 Å²	130	70%	0.699	80%	0.802	S	S	*	*			cis	-178.6	147.6	0.2	34.7	0	0	0	0	108.4
14	S	21.3	Very low	22.6	Very low	110 Å²	110	127 Å²	127	77%	0.769	80%	0.8	S	S	*	*			trans	56.9	113.9	146.8	58.6	0	0	0	0	121.2
15	S	22.9	Very low	22.7	Very low	125 Å²	125	129.4 Å²	129.4	87%	0.874	80%	0.803	S	S	*	*				-162.8	126.3	119.4	26.5	0	0	0	0	111
16	S	21	Very low	22.4	Very low	104 Å²	104	127.8 Å²	127.8	73%	0.727	80%	0.798	S	S	*	*			trans	-66.4	140.3	176.5	45.6	0	0	0	0	113.4
17	F	22.2	Very low	22.6	Very low	209 Å²	209	128.7 Å²	128.7	92%	0.917	80%	0.801	S	S	*	*			trans	-156.1	131.5	136.9	-104.6	-75.9	0	0	0	111
18	L	21.7	Very low	22.6	Very low	160 Å²	160	126.7 Å²	126.7	84%	0.838	80%	0.8	S	S	*	*			trans	-65	147.2	179.7	-69.6	141.8	0	0	0	112.1
19	T	23.3	Very low	22.6	Very low	137 Å²	137	126 Å²	126	84%	0.84	80%	0.801	S	S	*	*			trans	-166.8	112.8	135.5	23.4	0	0	0	0	111.3
20	S	22.4	Very low	22.8	Very low	99 Å²	99	125.8 Å²	125.8	69%	0.692	80%	0.8	S	S	*	*			trans	25.1	103.3	148.2	58.4	0	0	0	0	120	T22	S20-T22 PolarHBondContact O-N 3.09Å
21	S	20.7	Very low	22.7	Very low	127 Å²	127	127.2 Å²	127.2	89%	0.888	80%	0.797	S	S	*	*			trans	-72.5	106.7	151.4	45.7	0	0	0	0	110.2
22	T	24.9	Very low	22.8	Very low	126 Å²	126	123.9 Å²	123.9	77%	0.773	79%	0.788	S	S	*	*			trans	-91	110.3	161.4	34.8	0	0	0	0	108.4	S20 M24	S20-T22 PolarHBondContact O-N 3.09Å; T22-M24 PolarHBondContact O-N 3.12Å
23	A	22.1	Very low	23.2	Very low	97 Å²	97	126.9 Å²	126.9	80%	0.802	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-60.8	127.3	166.8	0	0	0	0	0	109.3
24	M	23.5	Very low	23.3	Very low	178 Å²	178	124.4 Å²	124.4	88%	0.877	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-86.3	127.2	170.3	-78.4	-91.7	-72.3	0	0	108.9	T22	T22-M24 PolarHBondContact O-N 3.12Å
25	P	22.7	Very low	23.9	Very low	118 Å²	118	126.1 Å²	126.1	77%	0.766	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-76.7	143	-177.4	29.1	-31.6	0	0	0	112.4
26	S	21.5	Very low	23.9	Very low	104 Å²	104	123.2 Å²	123.2	73%	0.727	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-57.3	136.8	170.5	-47.7	0	0	0	0	112.1	S28	S26-S28 PolarHBondContact O-N 3.48Å; S26-S28 VanDerWaalsContact O-N 3.08Å
27	P	24.9	Very low	24.5	Very low	128 Å²	128	126 Å²	126	83%	0.831	77%	0.766	S	S	*	*			trans	-81.4	89.8	167.1	30.5	-27.9	0	0	0	109.5
28	S	24.4	Very low	24.8	Very low	106 Å²	106	123 Å²	123	74%	0.741	76%	0.755	S	S	*	*			trans	-84.6	91.6	159.7	53.3	0	0	0	0	109.2	S26	S26-S28 PolarHBondContact O-N 3.48Å; S26-S28 VanDerWaalsContact O-N 3.08Å
29	T	23.2	Very low	25.2	Very low	123 Å²	123	121.3 Å²	121.3	76%	0.755	75%	0.746	S	S	*	*			trans	-153.1	84.9	163	35	0	0	0	0	110.1	V31	T29-V31 PolarHBondContact O-N 2.75Å
30	T	26.3	Very low	25.8	Very low	128 Å²	128	120.9 Å²	120.9	79%	0.785	74%	0.737	S	S	*	*			trans	-64.6	113.2	154	33.2	0	0	0	0	108.1	S32	T30-S32 PolarHBondContact O-N 3.13Å
31	V	23.2	Very low	26	Very low	134 Å²	134	123.1 Å²	123.1	81%	0.812	74%	0.741	S	S	*	*			trans	-65.6	118.4	170.2	174	0	0	0	0	108.2	T29	T29-V31 PolarHBondContact O-N 2.75Å
32	S	23.3	Very low	26.4	Very low	98 Å²	98	127.5 Å²	127.5	69%	0.685	74%	0.738	S	S	*	*			trans	-53.9	133.2	166.1	-179	0	0	0	0	110	T30 G34	T30-S32 PolarHBondContact O-N 3.13Å; S32-G34 PolarHBondContact O-N 3.21Å
33	T	29.7	Very low	26.7	Very low	154 Å²	154	130.7 Å²	130.7	95%	0.945	74%	0.742	S	S	*	*	S	Bend	trans	-75.8	42.9	170.2	40.6	0	0	0	0	111.9
34	G	24.4	Very low	27.3	Very low	47 Å²	47	134.4 Å²	134.4	49%	0.485	74%	0.742	S	S	.	*			trans	-101.7	113.1	166.3	0	0	0	0	0	108.6	S32 P36	S32-G34 PolarHBondContact O-N 3.21Å; G34-P36 VanDerWaalsContact O-CD 3.27Å; G34-P36 WeakPolarHBondContact O-CD 3.43Å
35	I	32.7	Very low	27.6	Very low	146 Å²	146	133.4 Å²	133.4	75%	0.749	74%	0.74	S	S	*	*			trans	-64.6	120.2	159.7	-62.4	174.3	0	0	0	105.8	E37	I35-E37 PolarHBondContact O-N 3.33Å
36	P	24.8	Very low	28	Very low	64 Å²	64	136.4 Å²	136.4	42%	0.416	74%	0.744	S	S	.	*			trans	-72.4	117.7	165.2	-7.1	24.7	0	0	0	107.1	G34 H38 L39	G34-P36 VanDerWaalsContact O-CD 3.27Å; G34-P36 WeakPolarHBondContact O-CD 3.43Å; P36-H38 PolarHBondContact O-N 3.35Å; P36-L39 PolarHBondContact O-N 2.82Å
37	E	32.3	Very low	28.2	Very low	162 Å²	162	139.3 Å²	139.3	76%	0.757	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-0.7	176.4	-74	177	151.9	0	0	113.7	I35	I35-E37 PolarHBondContact O-N 3.33Å
38	H	29.1	Very low	28.8	Very low	147 Å²	147	139.4 Å²	139.4	68%	0.681	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	5.2	-173.3	-12.1	-60.4	0	0	0	113.8	P36	P36-H38 PolarHBondContact O-N 3.35Å
39	L	30.2	Very low	28.9	Very low	125 Å²	125	141.7 Å²	141.7	65%	0.654	75%	0.753	S	S	*	*	S	Bend	trans	-102.6	-0.1	176.9	-78.3	170.4	0	0	0	114	P36	P36-L39 PolarHBondContact O-N 2.82Å
40	I	34.8	Very low	29.4	Very low	127 Å²	127	142.5 Å²	142.5	65%	0.651	75%	0.753	S	S	*	*	S	Bend	trans	-85.6	-21.1	178.7	-59.2	177	0	0	0	111.5
41	D	27.9	Very low	29.5	Very low	146 Å²	146	145.1 Å²	145.1	78%	0.781	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	16.2	-171.8	-81.2	-17.5	0	0	0	116.3
42	R	28	Very low	30	Very low	219 Å²	219	144.5 Å²	144.5	83%	0.826	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	18.6	-179.9	-85.9	-161.5	-169.8	-171.7	4.4	116.3
43	F	30.8	Very low	30.7	Very low	193 Å²	193	148.6 Å²	148.6	85%	0.846	76%	0.763	S	S	*	*			trans	-109.4	34.8	173.2	-72.8	-73	0	0	0	113.6
44	H	36.5	Very low	30.9	Very low	176 Å²	176	147.8 Å²	147.8	82%	0.815	76%	0.758	S	S	*	*			trans	-118.4	129.1	159.9	-80.4	-46	0	0	0	110
45	D	29.8	Very low	31.6	Very low	157 Å²	157	151 Å²	151	84%	0.84	77%	0.773	S	S	*	*	S	Bend	trans	103.2	118.6	168.4	-63.1	-24.2	0	0	0	118.8
46	E	29.7	Very low	32.2	Very low	181 Å²	181	147.9 Å²	147.9	85%	0.846	76%	0.764	S	S	*	*			trans	85.9	85.8	159.9	-48.4	-156	154.4	0	0	118.4
47	D	27.1	Very low	33.8	Very low	165 Å²	165	148.8 Å²	148.8	88%	0.882	77%	0.772	S	S	*	*				-170.2	113.5	101.2	-96.5	-29.5	0	0	0	111.6
48	V	35.8	Very low	35.8	Very low	129 Å²	129	145 Å²	145	78%	0.782	76%	0.76	S	S	*	*			trans	-80.7	113.1	174.4	174.5	0	0	0	0	108.6
49	N	28.6	Very low	38.5	Very low	154 Å²	154	142 Å²	142	82%	0.824	75%	0.752	S	S	*	*			trans	-152.6	105.2	150.4	-103.2	-27.9	0	0	0	112.5
50	N	31.8	Very low	41.3	Very low	140 Å²	140	140.2 Å²	140.2	75%	0.749	75%	0.746	S	S	*	*			trans	-9.3	110.6	165.7	-66.3	-31.6	0	0	0	118.8
51	H	29.8	Very low	43.8	Very low	183 Å²	183	137 Å²	137	85%	0.847	73%	0.733	S	S	*	*			trans	-140.4	144.3	142.3	-88.1	-56.7	0	0	0	109.4
52	P	33.8	Very low	46.9	Very low	121 Å²	121	131.1 Å²	131.1	79%	0.786	71%	0.705	S	S	*	*			trans	-73.5	142.1	-154.9	30.1	-34.4	0	0	0	113.2	T54	P52-T54 PolarHBondContact O-N 3.47Å
53	E	36.8	Very low	50.1	Low	185 Å²	185	122.9 Å²	122.9	86%	0.864	68%	0.683	S	S	*	*			trans	-52.3	113.7	-177.3	-61.6	168.4	158	0	0	113.8
54	T	35	Very low	53.1	Low	137 Å²	137	114.9 Å²	114.9	84%	0.84	65%	0.65	S	S	*	*			trans	-154.7	54.6	144.2	32	0	0	0	0	108.6	P52 S56	P52-T54 PolarHBondContact O-N 3.47Å; T54-S56 PolarHBondContact O-N 2.73Å
55	S	38.7	Very low	55.9	Low	115 Å²	115	109.6 Å²	109.6	80%	0.804	63%	0.63	S	S	*	*			trans	-79.7	82.9	176.1	-47.4	0	0	0	0	109.5	S57	S55-S57 PolarHBondContact O-N 2.95Å
56	S	45.8	Very low	58.9	Low	80 Å²	80	102.3 Å²	102.3	56%	0.559	59%	0.592	S	S	*	*			trans	-62.7	100	162.5	55.2	0	0	0	0	107.8	T54 T58	T54-S56 PolarHBondContact O-N 2.73Å; S56-T58 PolarHBondContact O-N 2.88Å
57	S	58.5	Low	62	Low	83 Å²	83	95 Å²	95	58%	0.58	56%	0.559	S	S	*	*			trans	-62.5	105.1	-175.6	57.1	0	0	0	0	110.5	S55 P87	S55-S57 PolarHBondContact O-N 2.95Å; S57-P87 WeakPolarHBondContact O-CD 3.47Å; S57-P87 WeakPolarHBondContact O-CG 3.39Å
58	T	73.3	Confident	65.1	Low	81 Å²	81	87.8 Å²	87.8	50%	0.497	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-75	132.3	174.6	53.4	0	0	0	0	109.9	S56 I86	S56-T58 PolarHBondContact O-N 2.88Å; T58-I86 HydrophobicContact CG2-CD1 4.47Å; T58-I86 HydrophobicContact CG2-CG1 3.95Å
59	T	85.3	Confident	67.6	Low	85 Å²	85	83.5 Å²	83.5	52%	0.521	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	119.8	-179.4	-53.7	0	0	0	0	109.7	V61 S84 D85	T59-V61 PolarHBondContact O-N 2.96Å; T59-S84 CarbonylContact O-C 3.59Å; T59-S84 VanDerWaalsContact O-CA 3.27Å; T59-S84 WeakPolarHBondContact O-CA 3.49Å; T59-D85 PolarHBondContact N-O 2.96Å; T59-D85 PolarHBondContact O-N 3.33Å
60	T	89.1	Confident	69.8	Low	87 Å²	87	77.5 Å²	77.5	53%	0.534	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	121.6	173.1	-63	0	0	0	0	109.9	T82	T60-T82 HydrophobicContact CG2-CG2 3.77Å
61	V	88.4	Confident	71.5	Confident	61 Å²	61	81.6 Å²	81.6	37%	0.37	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-46.3	-180	179.8	0	0	0	0	110.8	T59 L83 D85	T59-V61 PolarHBondContact O-N 2.96Å; V61-L83 HydrophobicContact CB-CB 4.48Å; V61-L83 HydrophobicContact CB-CD2 3.97Å; V61-L83 HydrophobicContact CB-CG 4.06Å; V61-L83 HydrophobicContact CG1-CD2 3.97Å; V61-L83 HydrophobicContact CG2-CG 4.4Å; V61-L83 PolarHBondContact N-O 3.26Å; V61-D85 HydrophobicContact CG2-CB 3.94Å; V61-D85 WeakPolarHBondContact CG2-OD2 3.28Å
62	A	92.4	Very high	73.2	Confident	22 Å²	22	81.5 Å²	81.5	18%	0.182	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	150	-176.3	0	0	0	0	0	110.1	L83 W155 I158	A62-L83 PolarHBondContact N-O 3.42Å; A62-L83 PolarHBondContact O-N 2.88Å; A62-W155 HydrophobicContact CB-CH2 4.03Å; A62-W155 HydrophobicContact CB-CZ2 3.8Å; A62-I158 HydrophobicContact CB-CD1 4.41Å
63	A	94.1	Very high	74.9	Confident	46 Å²	46	76.9 Å²	76.9	38%	0.38	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	147.3	170.9	0	0	0	0	0	110.8	W80 L81	A63-W80 HydrophobicContact CB-CH2 4.35Å; A63-W80 HydrophobicContact CB-CZ2 3.45Å; A63-W80 VanDerWaalsContact CB-CZ2 3.45Å; A63-L81 CarbonylContact C-O 3.51Å; A63-L81 WeakPolarHBondContact CA-O 3.33Å; A63-L81 WeakPolarHBondContact CB-O 3.48Å
64	T	94.9	Very high	76.6	Confident	25 Å²	25	77 Å²	77	15%	0.153	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	157.3	-179.3	-166.2	0	0	0	0	111.7	A66 L81 F146 W155	T64-A66 HydrophobicContact CG2-CB 4.49Å; T64-L81 HydrophobicContact CG2-CB 4.26Å; T64-L81 HydrophobicContact CG2-CD1 4.36Å; T64-L81 PolarHBondContact N-O 2.91Å; T64-L81 PolarHBondContact O-N 3.36Å; T64-F146 HydrophobicContact CG2-CD1 4Å; T64-F146 HydrophobicContact CG2-CE1 3.82Å; T64-W155 HydrophobicContact CG2-CD2 4.09Å; T64-W155 HydrophobicContact CG2-CH2 4.25Å; T64-W155 HydrophobicContact CG2-CZ2 3.41Å; T64-W155 VanDerWaalsContact CG2-CZ2 3.41Å; T64-W155 VanDerWaalsContact CG2-NE1 3.3Å
65	V	94.1	Very high	78.9	Confident	65 Å²	65	78 Å²	78	39%	0.394	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	139.2	157.6	-177.3	0	0	0	0	108.8	E78 C79 W80	V65-E78 HydrophobicContact CG1-CG 3.51Å; V65-C79 WeakPolarHBondContact CA-O 3.39Å; V65-W80 HydrophobicContact CG2-CE3 3.76Å; V65-W80 HydrophobicContact CG2-CZ3 3.81Å
66	A	94.6	Very high	81.3	Confident	4 Å²	4	75.2 Å²	75.2	3%	0.033	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	173.8	171.9	0	0	0	0	0	109.7	T64 E78 C79 L81 F146	T64-A66 HydrophobicContact CG2-CB 4.49Å; A66-E78 CarbonylContact O-C 3.59Å; A66-C79 PolarHBondContact N-O 3.32Å; A66-C79 PolarHBondContact O-N 2.95Å; A66-C79 VanDerWaalsContact O-O 3.09Å; A66-C79 PolarHBondContact O-SG 3.24Å; A66-L81 HydrophobicContact CB-CD1 3.49Å; A66-L81 VanDerWaalsContact CB-CD1 3.49Å; A66-L81 HydrophobicContact CB-CG 4.03Å; A66-F146 HydrophobicContact CB-CD1 4.11Å; A66-F146 HydrophobicContact CB-CE1 4.2Å
67	L	93.1	Very high	83.4	Confident	28 Å²	28	75.8 Å²	75.8	15%	0.147	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	137.4	167.5	-57.6	-179.9	0	0	0	109.4	W76 K77 E78 L144 C145 R147	L67-W76 HydrophobicContact CB-CB 4.19Å; L67-W76 HydrophobicContact CB-CD2 4.31Å; L67-W76 HydrophobicContact CB-CE3 3.73Å; L67-W76 HydrophobicContact CB-CZ3 4.48Å; L67-W76 HydrophobicContact CD1-CB 4.07Å; L67-W76 HydrophobicContact CD1-CG 4.43Å; L67-K77 CarbonylContact C-O 3.6Å; L67-K77 VanDerWaalsContact CA-O 3.28Å; L67-K77 WeakPolarHBondContact CA-O 3.4Å; L67-E78 HydrophobicContact CD2-CB 4.3Å; L67-L144 CarbonylContact O-C 3.54Å; L67-L144 VanDerWaalsContact O-CA 3.31Å; L67-L144 WeakPolarHBondContact O-CA 3.41Å; L67-C145 HydrophobicContact CB-CB 4.13Å; L67-C145 PolarHBondContact N-O 3.13Å; L67-C145 PolarHBondContact O-N 3.08Å; L67-R147 VanDerWaalsContact CD1-CZ 3.43Å
68	R	92.2	Very high	85	Confident	12 Å²	12	78 Å²	78	5%	0.045	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	155.8	170.5	66.2	175.3	-178.4	68.2	10.8	111.3	E73 K77 C79 D97 R104 L142 Y143 L144	R68-E73 IonicContact CZ-OE1 3.51Å; R68-E73 VanDerWaalsContact NH1-CD 3.3Å; R68-E73 IonicContact NH1-OE1 2.79Å; R68-E73 PolarHBondContact NH1-OE1 2.95Å; R68-E73 IonicContact NH1-OE2 3.87Å; R68-E73 PolarHBondContact NH1-OE2 3.06Å; R68-E73 IonicContact NH2-OE1 2.77Å; R68-K77 PolarHBondContact N-O 2.66Å; R68-K77 PolarHBondContact O-N 2.69Å; R68-C79 HydrophobicContact CB-CB 4.32Å; R68-C79 HydrophobicContact CG-CB 3.83Å; R68-D97 IonicContact CZ-OD1 3.58Å; R68-D97 IonicContact NE-OD1 3.84Å; R68-D97 IonicContact NH2-OD1 3.29Å; R68-D97 PolarHBondContact NH2-OD1 3.08Å; R68-R104 VanDerWaalsContact CZ-CZ 3.44Å; R68-R104 VanDerWaalsContact CZ-NE 3.27Å; R68-R104 VanDerWaalsContact NH2-NE 3.19Å; R68-L142 HydrophobicContact CB-CD1 4.18Å; R68-Y143 CarbonylContact C-O 3.51Å; R68-Y143 VanDerWaalsContact CA-O 3.28Å; R68-Y143 WeakPolarHBondContact CA-O 3.31Å; R68-L144 HydrophobicContact CB-CD2 4.16Å
69	K	88.8	Confident	86	Confident	39 Å²	39	74.2 Å²	74.2	17%	0.17	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	132.8	170.3	-177.2	174.9	-177	175.6	0	109.4	E73 W76 F122 Y143	K69-E73 WeakPolarHBondContact CE-O 3.02Å; K69-E73 HydrophobicContact CG-CB 4.4Å; K69-W76 HydrophobicContact CB-CD2 3.99Å; K69-W76 HydrophobicContact CB-CE3 3.58Å; K69-W76 HydrophobicContact CB-CH2 4.2Å; K69-W76 HydrophobicContact CB-CZ3 3.7Å; K69-W76 HydrophobicContact CD-CD2 4.24Å; K69-W76 HydrophobicContact CD-CZ2 4.37Å; K69-F122 HydrophobicContact CD-CE1 4.23Å; K69-Y143 PolarHBondContact N-O 3.26Å; K69-Y143 WeakPolarHBondContact O-CB 3.47Å; K69-Y143 WeakPolarHBondContact O-CD2 3.45Å; K69-Y143 PolarHBondContact O-N 2.66Å
70	S	76.1	Confident	86.6	Confident	28 Å²	28	72.4 Å²	72.4	20%	0.196	35%	0.351	C	S	.	.			trans	-94.6	167.2	166.9	80.4	0	0	0	0	111	E72 E73	S70-E72 PolarHBondContact O-N 3.43Å; S70-E72 PolarHBondContact OG-N 3.01Å; S70-E73 PolarHBondContact N-OE2 3.23Å; S70-E73 VanDerWaalsContact N-OE2 3.14Å; S70-E73 PolarHBondContact O-N 2.98Å; S70-E73 VanDerWaalsContact O-N 3.15Å; S70-E73 WeakPolarHBondContact OG-CG 3.05Å; S70-E73 PolarHBondContact OG-N 3.07Å
71	R	67.6	Low	86.9	Confident	227 Å²	227	68.3 Å²	68.3	86%	0.857	33%	0.326	S	S	*	.	S	Bend	trans	-57.1	-29.5	174.7	-173.7	178.5	178.2	-176.3	-0	112.8
72	E	63.8	Low	87.2	Confident	180 Å²	180	66.3 Å²	66.3	84%	0.841	31%	0.314	S	S	*	.	S	Bend	trans	-85.7	-24.3	-177.9	-65.3	163.3	-170.6	0	0	112.3	S70	S70-E72 PolarHBondContact O-N 3.43Å; S70-E72 PolarHBondContact OG-N 3.01Å
73	E	69.3	Low	87.3	Confident	24 Å²	24	65.3 Å²	65.3	11%	0.112	31%	0.306	C	S	.	.			trans	-81.2	123.9	-177.4	-74.3	175.2	157.5	0	0	111.6	R68 K69 S70 K77 R104	R68-E73 IonicContact CZ-OE1 3.51Å; R68-E73 VanDerWaalsContact NH1-CD 3.3Å; R68-E73 IonicContact NH1-OE1 2.79Å; R68-E73 PolarHBondContact NH1-OE1 2.95Å; R68-E73 IonicContact NH1-OE2 3.87Å; R68-E73 PolarHBondContact NH1-OE2 3.06Å; R68-E73 IonicContact NH2-OE1 2.77Å; K69-E73 WeakPolarHBondContact CE-O 3.02Å; K69-E73 HydrophobicContact CG-CB 4.4Å; S70-E73 PolarHBondContact N-OE2 3.23Å; S70-E73 VanDerWaalsContact N-OE2 3.14Å; S70-E73 PolarHBondContact O-N 2.98Å; S70-E73 VanDerWaalsContact O-N 3.15Å; S70-E73 WeakPolarHBondContact OG-CG 3.05Å; S70-E73 PolarHBondContact OG-N 3.07Å; E73-K77 WeakPolarHBondContact OE1-CD 3.43Å; E73-K77 WeakPolarHBondContact OE1-CE 3.46Å; E73-K77 IonicContact OE1-NZ 3.82Å; E73-K77 PolarHBondContact OE1-NZ 3.28Å; E73-R104 IonicContact OE1-NH2 3.6Å
74	K	73.8	Confident	87.2	Confident	188 Å²	188	63.7 Å²	63.7	82%	0.817	29%	0.292	S	S	*	.	S	Bend	trans	-73.2	-35.1	175.9	-69.2	-176.4	-178.3	174.7	0	112.3
75	Q	83.4	Confident	86.7	Confident	159 Å²	159	64.8 Å²	64.8	74%	0.743	30%	0.297	S	S	*	.	S	Bend	trans	-114.3	152	-175	-68.6	179.1	-16.9	0	0	111
76	W	88.7	Confident	86.1	Confident	55 Å²	55	63.4 Å²	63.4	21%	0.208	29%	0.287	C	S	.	.			trans	-66.8	140.7	168.6	-70.3	102.3	0	0	0	110	L67 K69 F122 C145	L67-W76 HydrophobicContact CB-CB 4.19Å; L67-W76 HydrophobicContact CB-CD2 4.31Å; L67-W76 HydrophobicContact CB-CE3 3.73Å; L67-W76 HydrophobicContact CB-CZ3 4.48Å; L67-W76 HydrophobicContact CD1-CB 4.07Å; L67-W76 HydrophobicContact CD1-CG 4.43Å; K69-W76 HydrophobicContact CB-CD2 3.99Å; K69-W76 HydrophobicContact CB-CE3 3.58Å; K69-W76 HydrophobicContact CB-CH2 4.2Å; K69-W76 HydrophobicContact CB-CZ3 3.7Å; K69-W76 HydrophobicContact CD-CD2 4.24Å; K69-W76 HydrophobicContact CD-CZ2 4.37Å; W76-F122 HydrophobicContact CH2-CD2 4.24Å; W76-F122 HydrophobicContact CH2-CE2 4.36Å; W76-F122 HydrophobicContact CZ2-CB 4.09Å; W76-F122 HydrophobicContact CZ2-CD1 4.39Å; W76-F122 AromaticContact CZ2-CD2 3.64Å; W76-F122 HydrophobicContact CZ2-CD2 3.64Å; W76-F122 HydrophobicContact CZ2-CE2 4.1Å; W76-F122 AromaticContact CZ2-CG 3.79Å; W76-F122 HydrophobicContact CZ2-CG 3.79Å; W76-C145 HydrophobicContact CD2-CB 4.43Å; W76-C145 HydrophobicContact CE3-CB 4Å; W76-C145 HydrophobicContact CH2-CB 3.65Å; W76-C145 HydrophobicContact CZ2-CB 4.08Å; W76-C145 HydrophobicContact CZ3-CB 3.6Å
77	K	90.7	Very high	85.2	Confident	92 Å²	92	66.8 Å²	66.8	40%	0.4	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.4	173.7	-68.5	-177.8	-176.2	164.7	0	109.9	L67 R68 E73	L67-K77 CarbonylContact C-O 3.6Å; L67-K77 VanDerWaalsContact CA-O 3.28Å; L67-K77 WeakPolarHBondContact CA-O 3.4Å; R68-K77 PolarHBondContact N-O 2.66Å; R68-K77 PolarHBondContact O-N 2.69Å; E73-K77 WeakPolarHBondContact OE1-CD 3.43Å; E73-K77 WeakPolarHBondContact OE1-CE 3.46Å; E73-K77 IonicContact OE1-NZ 3.82Å; E73-K77 PolarHBondContact OE1-NZ 3.28Å
78	E	92.4	Very high	83.8	Confident	129 Å²	129	69.9 Å²	69.9	60%	0.603	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	145.3	169.5	-161.8	174.2	122.1	0	0	110.5	V65 A66 L67	V65-E78 HydrophobicContact CG1-CG 3.51Å; A66-E78 CarbonylContact O-C 3.59Å; L67-E78 HydrophobicContact CD2-CB 4.3Å
79	C	94.2	Very high	82.9	Confident	2 Å²	2	71.6 Å²	71.6	1%	0.014	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	156.7	176	65.9	0	0	0	0	110.1	V65 A66 R68 V95 F96	V65-C79 WeakPolarHBondContact CA-O 3.39Å; A66-C79 PolarHBondContact N-O 3.32Å; A66-C79 PolarHBondContact O-N 2.95Å; A66-C79 VanDerWaalsContact O-O 3.09Å; A66-C79 PolarHBondContact O-SG 3.24Å; R68-C79 HydrophobicContact CB-CB 4.32Å; R68-C79 HydrophobicContact CG-CB 3.83Å; C79-V95 HydrophobicContact CB-CG1 4.11Å; C79-F96 CarbonylContact C-O 3.52Å; C79-F96 VanDerWaalsContact CA-O 3.26Å; C79-F96 WeakPolarHBondContact CA-O 3.26Å; C79-F96 WeakPolarHBondContact CB-O 3.43Å
80	W	96.1	Very high	82.5	Confident	48 Å²	48	71.2 Å²	71.2	18%	0.182	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	127.2	168.9	-178.7	-89.3	0	0	0	109.2	A63 V65 T82 F96 M99	A63-W80 HydrophobicContact CB-CH2 4.35Å; A63-W80 HydrophobicContact CB-CZ2 3.45Å; A63-W80 VanDerWaalsContact CB-CZ2 3.45Å; V65-W80 HydrophobicContact CG2-CE3 3.76Å; V65-W80 HydrophobicContact CG2-CZ3 3.81Å; W80-T82 PolarHBondContact NE1-OG1 3.33Å; W80-T82 VanDerWaalsContact NE1-OG1 3.16Å; W80-F96 HydrophobicContact CB-CB 4.13Å; W80-F96 AromaticContact CD1-CD2 3.99Å; W80-F96 PolarHBondContact N-O 3.31Å; W80-F96 PolarHBondContact O-N 3.21Å; W80-M99 HydrophobicContact CD2-CB 3.97Å; W80-M99 HydrophobicContact CD2-CG 4.1Å; W80-M99 HydrophobicContact CE3-CB 4.05Å; W80-M99 HydrophobicContact CE3-CG 4.37Å; W80-M99 HydrophobicContact CG-CB 4.26Å; W80-M99 HydrophobicContact CH2-CE 3.54Å; W80-M99 HydrophobicContact CH2-SD 4.45Å; W80-M99 HydrophobicContact CZ2-CE 3.49Å; W80-M99 VanDerWaalsContact CZ2-CE 3.49Å; W80-M99 HydrophobicContact CZ2-CG 4.24Å; W80-M99 HydrophobicContact CZ3-CE 4.26Å
81	L	95.8	Very high	83	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.3	177.4	-64	178.9	0	0	0	109.6	A63 T64 A66 L93 S94 V95 L144 F146 W155	A63-L81 CarbonylContact C-O 3.51Å; A63-L81 WeakPolarHBondContact CA-O 3.33Å; A63-L81 WeakPolarHBondContact CB-O 3.48Å; T64-L81 HydrophobicContact CG2-CB 4.26Å; T64-L81 HydrophobicContact CG2-CD1 4.36Å; T64-L81 PolarHBondContact N-O 2.91Å; T64-L81 PolarHBondContact O-N 3.36Å; A66-L81 HydrophobicContact CB-CD1 3.49Å; A66-L81 VanDerWaalsContact CB-CD1 3.49Å; A66-L81 HydrophobicContact CB-CG 4.03Å; L81-L93 HydrophobicContact CB-CD1 4.42Å; L81-S94 WeakPolarHBondContact CA-O 3.42Å; L81-V95 HydrophobicContact CD2-CB 4.2Å; L81-V95 HydrophobicContact CD2-CG1 4.05Å; L81-V95 HydrophobicContact CD2-CG2 3.73Å; L81-L144 HydrophobicContact CD1-CD1 3.94Å; L81-L144 HydrophobicContact CD1-CD2 4.08Å; L81-L144 HydrophobicContact CD2-CD2 4.08Å; L81-F146 HydrophobicContact CD1-CE1 3.67Å; L81-F146 HydrophobicContact CD1-CZ 3.73Å; L81-W155 HydrophobicContact CB-CH2 4.26Å
82	T	95.3	Very high	84.1	Confident	20 Å²	20	62 Å²	62	12%	0.123	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	123.1	170.7	-55.1	0	0	0	0	108.7	T60 W80 S94	T60-T82 HydrophobicContact CG2-CG2 3.77Å; W80-T82 PolarHBondContact NE1-OG1 3.33Å; W80-T82 VanDerWaalsContact NE1-OG1 3.16Å; T82-S94 PolarHBondContact N-O 3.1Å; T82-S94 PolarHBondContact O-N 2.84Å
83	L	93.8	Very high	85.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.1	169.4	177.3	68.1	0	0	0	109.1	V61 A62 L93 L109 W155 I158	V61-L83 HydrophobicContact CB-CB 4.48Å; V61-L83 HydrophobicContact CB-CD2 3.97Å; V61-L83 HydrophobicContact CB-CG 4.06Å; V61-L83 HydrophobicContact CG1-CD2 3.97Å; V61-L83 HydrophobicContact CG2-CG 4.4Å; V61-L83 PolarHBondContact N-O 3.26Å; A62-L83 PolarHBondContact N-O 3.42Å; A62-L83 PolarHBondContact O-N 2.88Å; L83-L93 HydrophobicContact CB-CD1 4.42Å; L83-L109 HydrophobicContact CD1-CD1 3.51Å; L83-W155 HydrophobicContact CB-CH2 4.02Å; L83-W155 HydrophobicContact CB-CZ3 4.03Å; L83-I158 HydrophobicContact CD2-CG2 3.12Å
84	S	91.9	Very high	86.6	Confident	13 Å²	13	52.7 Å²	52.7	9%	0.091	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.1	178.9	-53.3	0	0	0	0	110.5	T59 S91 Q92	T59-S84 CarbonylContact O-C 3.59Å; T59-S84 VanDerWaalsContact O-CA 3.27Å; T59-S84 WeakPolarHBondContact O-CA 3.49Å; S84-S91 WeakPolarHBondContact O-CA 3.28Å; S84-Q92 PolarHBondContact N-O 3.23Å; S84-Q92 PolarHBondContact O-N 2.69Å
85	D	85.4	Confident	87.5	Confident	48 Å²	48	43.8 Å²	43.8	26%	0.257	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	132.8	168.9	-70.8	-18.6	0	0	0	108.5	T59 V61 S91 R162	T59-D85 PolarHBondContact N-O 2.96Å; T59-D85 PolarHBondContact O-N 3.33Å; V61-D85 HydrophobicContact CG2-CB 3.94Å; V61-D85 WeakPolarHBondContact CG2-OD2 3.28Å; D85-S91 VanDerWaalsContact OD1-CB 3.25Å; D85-S91 WeakPolarHBondContact OD1-CB 3.47Å; D85-S91 PolarHBondContact OD1-OG 2.94Å; D85-R162 IonicContact OD1-CZ 3.83Å; D85-R162 IonicContact OD1-NE 2.8Å; D85-R162 PolarHBondContact OD1-NE 3.35Å; D85-R162 VanDerWaalsContact OD1-NE 3.1Å; D85-R162 IonicContact OD1-NH2 2.65Å; D85-R162 IonicContact OD2-CZ 3.41Å; D85-R162 IonicContact OD2-NE 3.15Å; D85-R162 IonicContact OD2-NH2 3.82Å; D85-R162 PolarHBondContact OD2-NH2 3.15Å
86	I	80.9	Confident	88	Confident	35 Å²	35	38 Å²	38	18%	0.179	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-98	124.2	177.2	-57.3	-174.8	0	0	0	107.8	T58 G88 G89 Q92	T58-I86 HydrophobicContact CG2-CD1 4.47Å; T58-I86 HydrophobicContact CG2-CG1 3.95Å; I86-G88 PolarHBondContact O-N 3.1Å; I86-G88 VanDerWaalsContact O-N 3.12Å; I86-G89 CarbonylContact O-C 3.59Å; I86-G89 PolarHBondContact O-N 3.02Å; I86-Q92 HydrophobicContact CD1-CG 3.95Å
87	P	75.4	Confident	88.1	Confident	76 Å²	76	38.7 Å²	38.7	49%	0.494	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	119.5	175.3	-24.9	33.7	0	0	0	111.4	S57 G89	S57-P87 WeakPolarHBondContact O-CD 3.47Å; S57-P87 WeakPolarHBondContact O-CG 3.39Å; P87-G89 PolarHBondContact O-N 3.49Å
88	G	65.3	Low	88.1	Confident	93 Å²	93	37.6 Å²	37.6	96%	0.959	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.4	8.2	-176.9	0	0	0	0	0	115	I86	I86-G88 PolarHBondContact O-N 3.1Å; I86-G88 VanDerWaalsContact O-N 3.12Å
89	G	73.1	Confident	87.9	Confident	48 Å²	48	38 Å²	38	50%	0.495	24%	0.243	S	C	.	.	S	Bend	trans	-125.7	-173.2	178.8	0	0	0	0	0	113.6	I86 P87	I86-G89 CarbonylContact O-C 3.59Å; I86-G89 PolarHBondContact O-N 3.02Å; P87-G89 PolarHBondContact O-N 3.49Å
90	S	79.2	Confident	87.4	Confident	30 Å²	30	41.8 Å²	41.8	21%	0.21	28%	0.283	C	S	.	.			trans	-81.3	149.4	178.6	50.5	0	0	0	0	112.5	D108 S110	S90-D108 WeakPolarHBondContact CB-OD1 3.32Å; S90-D108 WeakPolarHBondContact CB-OD2 3.47Å; S90-D108 PolarHBondContact OG-OD1 2.83Å; S90-D108 VanDerWaalsContact OG-OD1 3.14Å; S90-D108 PolarHBondContact OG-OD2 3.31Å; S90-S110 WeakPolarHBondContact CB-OG 3.49Å
91	S	87.7	Confident	87.1	Confident	21 Å²	21	41.1 Å²	41.1	15%	0.147	29%	0.285	C	S	.	.			trans	-66.5	136.5	169.7	-56.2	0	0	0	0	111.2	S84 D85 L109 R162	S84-S91 WeakPolarHBondContact O-CA 3.28Å; D85-S91 VanDerWaalsContact OD1-CB 3.25Å; D85-S91 WeakPolarHBondContact OD1-CB 3.47Å; D85-S91 PolarHBondContact OD1-OG 2.94Å; S91-L109 WeakPolarHBondContact O-CB 3.4Å; S91-L109 PolarHBondContact O-N 3.01Å; S91-R162 WeakPolarHBondContact OG-CD 3.44Å; S91-R162 WeakPolarHBondContact OG-CG 3.28Å; S91-R162 PolarHBondContact OG-NE 2.88Å
92	Q	89.9	Confident	87	Confident	40 Å²	40	50.3 Å²	50.3	19%	0.187	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.1	-177.8	-65.6	-174.8	-14.8	0	0	111.5	S84 I86 Q106 V107	S84-Q92 PolarHBondContact N-O 3.23Å; S84-Q92 PolarHBondContact O-N 2.69Å; I86-Q92 HydrophobicContact CD1-CG 3.95Å; Q92-Q106 HydrophobicContact CB-CG 4.31Å; Q92-Q106 VanDerWaalsContact OE1-CD 3.26Å; Q92-V107 WeakPolarHBondContact CA-O 3.29Å
93	L	92.4	Very high	86.8	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	112.6	170.8	-174.8	68.6	0	0	0	109.6	L81 L83 Q106 V107 L109 L130 L142 L144 W155 L159	L81-L93 HydrophobicContact CB-CD1 4.42Å; L83-L93 HydrophobicContact CB-CD1 4.42Å; L93-Q106 CarbonylContact O-C 3.37Å; L93-Q106 WeakPolarHBondContact O-CA 3.41Å; L93-V107 HydrophobicContact CB-CB 4.41Å; L93-V107 PolarHBondContact N-O 2.97Å; L93-V107 PolarHBondContact O-N 3.39Å; L93-L109 HydrophobicContact CB-CD1 4.4Å; L93-L109 HydrophobicContact CB-CD2 3.95Å; L93-L109 HydrophobicContact CB-CG 4.24Å; L93-L130 HydrophobicContact CD2-CD1 3.56Å; L93-L142 HydrophobicContact CD2-CD2 4.45Å; L93-L144 HydrophobicContact CD2-CD1 3.96Å; L93-W155 HydrophobicContact CD1-CH2 4.49Å; L93-W155 HydrophobicContact CD1-CZ3 3.82Å; L93-L159 HydrophobicContact CD1-CD2 4.34Å; L93-L159 HydrophobicContact CD2-CD2 4.22Å
94	S	92.7	Very high	86.6	Confident	9 Å²	9	59 Å²	59	6%	0.063	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	132	178.3	-63	0	0	0	0	110.2	L81 T82 F96 Q106	L81-S94 WeakPolarHBondContact CA-O 3.42Å; T82-S94 PolarHBondContact N-O 3.1Å; T82-S94 PolarHBondContact O-N 2.84Å; S94-F96 VanDerWaalsContact CB-CE2 3.46Å; S94-Q106 PolarHBondContact OG-NE2 2.85Å
95	V	92.9	Very high	86.4	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.006	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129	-179.2	-171.1	0	0	0	0	108.9	C79 L81 R104 Q105 L142	C79-V95 HydrophobicContact CB-CG1 4.11Å; L81-V95 HydrophobicContact CD2-CB 4.2Å; L81-V95 HydrophobicContact CD2-CG1 4.05Å; L81-V95 HydrophobicContact CD2-CG2 3.73Å; V95-R104 WeakPolarHBondContact O-CA 3.31Å; V95-R104 VanDerWaalsContact O-CB 3.3Å; V95-R104 WeakPolarHBondContact O-CB 3.49Å; V95-R104 PolarHBondContact O-N 3.13Å; V95-Q105 HydrophobicContact CB-CB 4.19Å; V95-Q105 HydrophobicContact CG2-CB 4.36Å; V95-Q105 PolarHBondContact N-O 3.03Å; V95-Q105 PolarHBondContact O-N 2.87Å; V95-L142 HydrophobicContact CG2-CD2 3.69Å
96	F	93.9	Very high	86.5	Confident	38 Å²	38	61.5 Å²	61.5	17%	0.167	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	153.8	179.4	-57.8	-91.2	0	0	0	109	C79 W80 S94 S98 S101 L103	C79-F96 CarbonylContact C-O 3.52Å; C79-F96 VanDerWaalsContact CA-O 3.26Å; C79-F96 WeakPolarHBondContact CA-O 3.26Å; C79-F96 WeakPolarHBondContact CB-O 3.43Å; W80-F96 HydrophobicContact CB-CB 4.13Å; W80-F96 AromaticContact CD1-CD2 3.99Å; W80-F96 PolarHBondContact N-O 3.31Å; W80-F96 PolarHBondContact O-N 3.21Å; S94-F96 VanDerWaalsContact CB-CE2 3.46Å; F96-S98 VanDerWaalsContact C-N 3.33Å; F96-S98 WeakPolarHBondContact CB-O 3.27Å; F96-S101 WeakPolarHBondContact CB-OG 3.33Å; F96-S101 WeakPolarHBondContact CD1-O 3.41Å; F96-L103 HydrophobicContact CD1-CB 4.36Å; F96-L103 HydrophobicContact CD1-CD1 4.46Å; F96-L103 HydrophobicContact CE1-CB 3.82Å; F96-L103 HydrophobicContact CE1-CD1 3.89Å; F96-L103 HydrophobicContact CE1-CG 4.5Å; F96-L103 HydrophobicContact CE2-CD1 4.28Å; F96-L103 HydrophobicContact CZ-CB 4.48Å; F96-L103 HydrophobicContact CZ-CD1 3.78Å
97	D	91.6	Very high	86.8	Confident	70 Å²	70	60.3 Å²	60.3	37%	0.374	36%	0.364	S	S	.	.	S	Bend	trans	-71.8	-32.6	174.6	-77.4	-34.9	0	0	0	111.6	R68 S101 R104	R68-D97 IonicContact CZ-OD1 3.58Å; R68-D97 IonicContact NE-OD1 3.84Å; R68-D97 IonicContact NH2-OD1 3.29Å; R68-D97 PolarHBondContact NH2-OD1 3.08Å; D97-S101 PolarHBondContact N-OG 3.24Å; D97-R104 WeakPolarHBondContact OD1-CD 3.15Å; D97-R104 IonicContact OD1-CZ 3.3Å; D97-R104 IonicContact OD1-NE 3.1Å; D97-R104 IonicContact OD1-NH1 3.88Å; D97-R104 PolarHBondContact OD1-NH1 3.06Å; D97-R104 IonicContact OD2-CZ 3.77Å; D97-R104 IonicContact OD2-NH1 2.94Å; D97-R104 PolarHBondContact OD2-NH1 2.81Å
98	S	90.8	Very high	87.3	Confident	68 Å²	68	59 Å²	59	48%	0.476	35%	0.353	S	S	.	.	S	Bend	trans	-152.4	169.1	171.7	61.8	0	0	0	0	110.7	F96 G100 S101	F96-S98 VanDerWaalsContact C-N 3.33Å; F96-S98 WeakPolarHBondContact CB-O 3.27Å; S98-G100 PolarHBondContact O-N 3.39Å; S98-S101 PolarHBondContact N-OG 3.44Å; S98-S101 WeakPolarHBondContact O-CB 3.29Å; S98-S101 PolarHBondContact O-N 3.1Å; S98-S101 PolarHBondContact O-OG 3.48Å; S98-S101 VanDerWaalsContact O-OG 3.11Å
99	M	87.8	Confident	88.2	Confident	138 Å²	138	54.6 Å²	54.6	68%	0.68	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	126.5	175.5	-165.6	-169	-137.4	0	0	110.1	W80 S101	W80-M99 HydrophobicContact CD2-CB 3.97Å; W80-M99 HydrophobicContact CD2-CG 4.1Å; W80-M99 HydrophobicContact CE3-CB 4.05Å; W80-M99 HydrophobicContact CE3-CG 4.37Å; W80-M99 HydrophobicContact CG-CB 4.26Å; W80-M99 HydrophobicContact CH2-CE 3.54Å; W80-M99 HydrophobicContact CH2-SD 4.45Å; W80-M99 HydrophobicContact CZ2-CE 3.49Å; W80-M99 VanDerWaalsContact CZ2-CE 3.49Å; W80-M99 HydrophobicContact CZ2-CG 4.24Å; W80-M99 HydrophobicContact CZ3-CE 4.26Å; M99-S101 VanDerWaalsContact C-N 3.26Å; M99-S101 PolarHBondContact O-N 3.3Å
100	G	82.7	Confident	88.5	Confident	82 Å²	82	54.7 Å²	54.7	85%	0.845	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	3.1	-177.6	0	0	0	0	0	115.2	S98	S98-G100 PolarHBondContact O-N 3.39Å
101	S	91.7	Very high	88.5	Confident	33 Å²	33	55.4 Å²	55.4	23%	0.231	30%	0.304	C	S	.	.	S	Bend	trans	-72.4	171	172.7	84.8	0	0	0	0	111.7	F96 D97 S98 M99	F96-S101 WeakPolarHBondContact CB-OG 3.33Å; F96-S101 WeakPolarHBondContact CD1-O 3.41Å; D97-S101 PolarHBondContact N-OG 3.24Å; S98-S101 PolarHBondContact N-OG 3.44Å; S98-S101 WeakPolarHBondContact O-CB 3.29Å; S98-S101 PolarHBondContact O-N 3.1Å; S98-S101 PolarHBondContact O-OG 3.48Å; S98-S101 VanDerWaalsContact O-OG 3.11Å; M99-S101 VanDerWaalsContact C-N 3.26Å; M99-S101 PolarHBondContact O-N 3.3Å
102	K	92.8	Very high	88.2	Confident	193 Å²	193	54.4 Å²	54.4	84%	0.839	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-62.3	146.2	170.4	-67.4	-176	178.6	-178	0	110.8	R104	K102-R104 PolarHBondContact O-N 3.09Å
103	L	91	Very high	87.8	Confident	84 Å²	84	53.1 Å²	53.1	44%	0.44	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	122.3	173.4	179.7	66.7	0	0	0	109.1	F96 Q105 Q106	F96-L103 HydrophobicContact CD1-CB 4.36Å; F96-L103 HydrophobicContact CD1-CD1 4.46Å; F96-L103 HydrophobicContact CE1-CB 3.82Å; F96-L103 HydrophobicContact CE1-CD1 3.89Å; F96-L103 HydrophobicContact CE1-CG 4.5Å; F96-L103 HydrophobicContact CE2-CD1 4.28Å; F96-L103 HydrophobicContact CZ-CB 4.48Å; F96-L103 HydrophobicContact CZ-CD1 3.78Å; L103-Q105 WeakPolarHBondContact CD1-O 3.29Å; L103-Q106 HydrophobicContact CD1-CB 4.37Å; L103-Q106 HydrophobicContact CD2-CB 4.17Å
104	R	88.9	Confident	87.5	Confident	119 Å²	119	53.5 Å²	53.5	45%	0.449	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-43.5	179.4	-176.5	168.6	-176.6	121.6	7.9	111.4	R68 E73 V95 D97 K102	R68-R104 VanDerWaalsContact CZ-CZ 3.44Å; R68-R104 VanDerWaalsContact CZ-NE 3.27Å; R68-R104 VanDerWaalsContact NH2-NE 3.19Å; E73-R104 IonicContact OE1-NH2 3.6Å; V95-R104 WeakPolarHBondContact O-CA 3.31Å; V95-R104 VanDerWaalsContact O-CB 3.3Å; V95-R104 WeakPolarHBondContact O-CB 3.49Å; V95-R104 PolarHBondContact O-N 3.13Å; D97-R104 WeakPolarHBondContact OD1-CD 3.15Å; D97-R104 IonicContact OD1-CZ 3.3Å; D97-R104 IonicContact OD1-NE 3.1Å; D97-R104 IonicContact OD1-NH1 3.88Å; D97-R104 PolarHBondContact OD1-NH1 3.06Å; D97-R104 IonicContact OD2-CZ 3.77Å; D97-R104 IonicContact OD2-NH1 2.94Å; D97-R104 PolarHBondContact OD2-NH1 2.81Å; K102-R104 PolarHBondContact O-N 3.09Å
105	Q	88.1	Confident	87.3	Confident	29 Å²	29	53.3 Å²	53.3	14%	0.136	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	145.2	-179.4	-178.1	174.8	2.6	0	0	109.4	V95 L103 V107 P140	V95-Q105 HydrophobicContact CB-CB 4.19Å; V95-Q105 HydrophobicContact CG2-CB 4.36Å; V95-Q105 PolarHBondContact N-O 3.03Å; V95-Q105 PolarHBondContact O-N 2.87Å; L103-Q105 WeakPolarHBondContact CD1-O 3.29Å; Q105-V107 HydrophobicContact CG-CG2 4.16Å; Q105-P140 PolarHBondContact NE2-O 3.03Å
106	Q	88.3	Confident	87.1	Confident	85 Å²	85	54.4 Å²	54.4	40%	0.397	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139	171.2	-170.8	170.4	48.2	0	0	109	Q92 L93 S94 L103	Q92-Q106 HydrophobicContact CB-CG 4.31Å; Q92-Q106 VanDerWaalsContact OE1-CD 3.26Å; L93-Q106 CarbonylContact O-C 3.37Å; L93-Q106 WeakPolarHBondContact O-CA 3.41Å; S94-Q106 PolarHBondContact OG-NE2 2.85Å; L103-Q106 HydrophobicContact CD1-CB 4.37Å; L103-Q106 HydrophobicContact CD2-CB 4.17Å
107	V	86.8	Confident	87	Confident	9 Å²	9	52.7 Å²	52.7	6%	0.055	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	121.4	-175.8	-178.7	0	0	0	0	108.7	Q92 L93 Q105 L109 C112 L142	Q92-V107 WeakPolarHBondContact CA-O 3.29Å; L93-V107 HydrophobicContact CB-CB 4.41Å; L93-V107 PolarHBondContact N-O 2.97Å; L93-V107 PolarHBondContact O-N 3.39Å; Q105-V107 HydrophobicContact CG-CG2 4.16Å; V107-L109 HydrophobicContact CG1-CD2 4.44Å; V107-L109 PolarHBondContact O-N 3.45Å; V107-C112 HydrophobicContact CG1-CB 4.47Å; V107-C112 WeakPolarHBondContact CG1-SG 3.35Å; V107-L142 HydrophobicContact CG2-CD2 4.31Å
108	D	84.8	Confident	87.1	Confident	50 Å²	50	51.6 Å²	51.6	27%	0.267	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	111	169.1	-173.4	-27	0	0	0	109.1	S90 S110 T111 C112	S90-D108 WeakPolarHBondContact CB-OD1 3.32Å; S90-D108 WeakPolarHBondContact CB-OD2 3.47Å; S90-D108 PolarHBondContact OG-OD1 2.83Å; S90-D108 VanDerWaalsContact OG-OD1 3.14Å; S90-D108 PolarHBondContact OG-OD2 3.31Å; D108-S110 VanDerWaalsContact C-N 3.27Å; D108-S110 VanDerWaalsContact CG-OG 3.31Å; D108-S110 PolarHBondContact O-N 2.71Å; D108-S110 WeakPolarHBondContact OD1-CA 3.42Å; D108-S110 VanDerWaalsContact OD1-CB 3.31Å; D108-S110 WeakPolarHBondContact OD1-CB 3.47Å; D108-S110 PolarHBondContact OD1-N 2.7Å; D108-S110 PolarHBondContact OD1-OG 2.98Å; D108-S110 PolarHBondContact OD2-OG 2.83Å; D108-T111 PolarHBondContact O-N 3.39Å; D108-T111 PolarHBondContact O-OG1 2.71Å; D108-C112 PolarHBondContact O-SG 3.44Å
109	L	84.8	Confident	87	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-68.2	-29.6	-176.4	-63.3	-179.3	0	0	0	111.9	L83 S91 L93 V107 T111 C112 L130 L159 R162 T163	L83-L109 HydrophobicContact CD1-CD1 3.51Å; S91-L109 WeakPolarHBondContact O-CB 3.4Å; S91-L109 PolarHBondContact O-N 3.01Å; L93-L109 HydrophobicContact CB-CD1 4.4Å; L93-L109 HydrophobicContact CB-CD2 3.95Å; L93-L109 HydrophobicContact CB-CG 4.24Å; V107-L109 HydrophobicContact CG1-CD2 4.44Å; V107-L109 PolarHBondContact O-N 3.45Å; L109-T111 PolarHBondContact O-N 2.94Å; L109-C112 PolarHBondContact O-N 2.67Å; L109-L130 HydrophobicContact CD2-CD1 4.36Å; L109-L159 HydrophobicContact CD1-CD2 3.89Å; L109-L159 HydrophobicContact CD2-CD2 4.32Å; L109-R162 CarbonylContact C-O 3.55Å; L109-R162 HydrophobicContact CB-CB 4.1Å; L109-R162 VanDerWaalsContact CB-O 3.25Å; L109-R162 WeakPolarHBondContact CB-O 3.34Å; L109-R162 HydrophobicContact CD1-CB 3.78Å; L109-T163 HydrophobicContact CB-CG2 4.17Å; L109-T163 HydrophobicContact CD2-CG2 4.12Å; L109-T163 WeakPolarHBondContact O-CA 3.46Å
110	S	79.8	Confident	87.1	Confident	49 Å²	49	46 Å²	46	34%	0.343	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-67.2	-5	177.7	75.7	0	0	0	0	113.7	S90 D108 R162 I164	S90-S110 WeakPolarHBondContact CB-OG 3.49Å; D108-S110 VanDerWaalsContact C-N 3.27Å; D108-S110 VanDerWaalsContact CG-OG 3.31Å; D108-S110 PolarHBondContact O-N 2.71Å; D108-S110 WeakPolarHBondContact OD1-CA 3.42Å; D108-S110 VanDerWaalsContact OD1-CB 3.31Å; D108-S110 WeakPolarHBondContact OD1-CB 3.47Å; D108-S110 PolarHBondContact OD1-N 2.7Å; D108-S110 PolarHBondContact OD1-OG 2.98Å; D108-S110 PolarHBondContact OD2-OG 2.83Å; S110-R162 PolarHBondContact N-O 3.3Å; S110-I164 WeakPolarHBondContact O-CD1 3.44Å; S110-I164 WeakPolarHBondContact O-CG1 3.41Å
111	T	78.6	Confident	87.4	Confident	45 Å²	45	43 Å²	43	28%	0.276	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-117.5	4	173	66.8	0	0	0	0	113	D108 L109 S133	D108-T111 PolarHBondContact O-N 3.39Å; D108-T111 PolarHBondContact O-OG1 2.71Å; L109-T111 PolarHBondContact O-N 2.94Å; T111-S133 VanDerWaalsContact O-CB 3.23Å; T111-S133 WeakPolarHBondContact O-CB 3.3Å; T111-S133 PolarHBondContact O-N 3.23Å; T111-S133 PolarHBondContact O-OG 3.25Å
112	C	81.3	Confident	87.3	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	142.2	-173.7	-72.3	0	0	0	0	112.6	V107 D108 L109 S131 T163 I164	V107-C112 HydrophobicContact CG1-CB 4.47Å; V107-C112 WeakPolarHBondContact CG1-SG 3.35Å; D108-C112 PolarHBondContact O-SG 3.44Å; L109-C112 PolarHBondContact O-N 2.67Å; C112-S131 CarbonylContact C-O 3.55Å; C112-S131 VanDerWaalsContact CA-O 3.29Å; C112-S131 WeakPolarHBondContact CA-O 3.36Å; C112-T163 HydrophobicContact CB-CG2 4.4Å; C112-T163 VanDerWaalsContact O-CB 3.32Å; C112-T163 WeakPolarHBondContact O-CB 3.36Å; C112-I164 PolarHBondContact O-N 3.13Å
113	T	81.8	Confident	86.9	Confident	12 Å²	12	39.1 Å²	39.1	7%	0.074	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.3	164.6	-55	0	0	0	0	109.1	F115 S131 P250	T113-F115 HydrophobicContact CG2-CD2 4.22Å; T113-F115 HydrophobicContact CG2-CE1 4.47Å; T113-F115 HydrophobicContact CG2-CE2 3.5Å; T113-F115 HydrophobicContact CG2-CZ 3.65Å; T113-S131 PolarHBondContact N-O 3.27Å; T113-S131 PolarHBondContact O-N 2.91Å; T113-P250 HydrophobicContact CG2-CB 4.05Å; T113-P250 HydrophobicContact CG2-CG 3.37Å
114	L	86.4	Confident	86.6	Confident	8 Å²	8	35.3 Å²	35.3	4%	0.042	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	135.3	178.4	-178.6	148.2	0	0	0	110.6	L128 L130 I156 L159 T163	L114-L128 HydrophobicContact CD1-CD1 4.26Å; L114-L128 HydrophobicContact CD2-CD2 4.35Å; L114-L130 HydrophobicContact CB-CD2 3.98Å; L114-L130 HydrophobicContact CD1-CD2 3.96Å; L114-L130 HydrophobicContact CG-CD2 4.12Å; L114-I156 HydrophobicContact CD1-CD1 3.92Å; L114-I156 HydrophobicContact CD2-CD1 3.33Å; L114-I156 HydrophobicContact CG-CD1 4.24Å; L114-L159 HydrophobicContact CD1-CB 3.61Å; L114-L159 HydrophobicContact CD1-CD1 4.33Å; L114-T163 HydrophobicContact CB-CG2 4.19Å
115	F	87.8	Confident	86.5	Confident	5 Å²	5	30.4 Å²	30.4	2%	0.022	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124.8	173.9	-61.9	-95.5	0	0	0	110.2	T113 L117 L128 F129 L213 N214 V216 I218 P250	T113-F115 HydrophobicContact CG2-CD2 4.22Å; T113-F115 HydrophobicContact CG2-CE1 4.47Å; T113-F115 HydrophobicContact CG2-CE2 3.5Å; T113-F115 HydrophobicContact CG2-CZ 3.65Å; F115-L117 HydrophobicContact CB-CD2 4.27Å; F115-L128 WeakPolarHBondContact O-CA 3.02Å; F115-F129 HydrophobicContact CB-CB 4.25Å; F115-F129 AromaticContact CD2-CD1 3.82Å; F115-F129 HydrophobicContact CD2-CD1 3.82Å; F115-F129 HydrophobicContact CE2-CD1 4.44Å; F115-F129 PolarHBondContact N-O 3.17Å; F115-F129 PolarHBondContact O-N 3.1Å; F115-L213 HydrophobicContact CD1-CB 4.19Å; F115-L213 HydrophobicContact CE1-CB 3.85Å; F115-N214 HydrophobicContact CZ-CB 4.32Å; F115-V216 HydrophobicContact CB-CG1 4.33Å; F115-V216 HydrophobicContact CD1-CB 4.39Å; F115-V216 HydrophobicContact CD2-CB 4.47Å; F115-V216 HydrophobicContact CD2-CG1 4.4Å; F115-V216 HydrophobicContact CD2-CG2 4.08Å; F115-V216 HydrophobicContact CE1-CB 4.49Å; F115-V216 HydrophobicContact CE1-CG2 4.45Å; F115-V216 HydrophobicContact CE2-CG2 3.85Å; F115-V216 HydrophobicContact CG-CB 4.37Å; F115-V216 HydrophobicContact CG-CG1 4.2Å; F115-V216 HydrophobicContact CG-CG2 4.46Å; F115-V216 HydrophobicContact CZ-CG2 4.05Å; F115-I218 HydrophobicContact CD1-CG2 4.39Å; F115-P250 HydrophobicContact CD1-CG 4.31Å; F115-P250 HydrophobicContact CE1-CG 3.82Å; F115-P250 HydrophobicContact CZ-CG 4.09Å
116	W	90.4	Very high	86.5	Confident	24 Å²	24	29.2 Å²	29.2	9%	0.091	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	130.8	163.3	-171.8	-50.7	0	0	0	109.2	L128 F152 I156 I246 P247 H351 W559	W116-L128 HydrophobicContact CB-CD2 4.4Å; W116-F152 HydrophobicContact CD2-CE1 4.24Å; W116-F152 AromaticContact CD2-CZ 3.69Å; W116-F152 HydrophobicContact CD2-CZ 3.69Å; W116-F152 AromaticContact CE2-CE1 3.84Å; W116-F152 AromaticContact CE2-CZ 3.59Å; W116-F152 HydrophobicContact CE3-CE1 4.18Å; W116-F152 AromaticContact CE3-CZ 3.82Å; W116-F152 HydrophobicContact CE3-CZ 3.82Å; W116-F152 HydrophobicContact CG-CZ 4.4Å; W116-F152 AromaticContact CH2-CE1 3.43Å; W116-F152 HydrophobicContact CH2-CE1 3.43Å; W116-F152 VanDerWaalsContact CH2-CE1 3.43Å; W116-F152 AromaticContact CH2-CZ 3.91Å; W116-F152 HydrophobicContact CH2-CZ 3.91Å; W116-F152 AromaticContact CZ2-CE1 3.46Å; W116-F152 HydrophobicContact CZ2-CE1 3.46Å; W116-F152 VanDerWaalsContact CZ2-CE1 3.46Å; W116-F152 AromaticContact CZ2-CZ 3.75Å; W116-F152 HydrophobicContact CZ2-CZ 3.75Å; W116-F152 AromaticContact CZ3-CE1 3.77Å; W116-F152 HydrophobicContact CZ3-CE1 3.77Å; W116-F152 AromaticContact CZ3-CZ 3.9Å; W116-F152 HydrophobicContact CZ3-CZ 3.9Å; W116-I156 HydrophobicContact CE3-CG1 4.04Å; W116-I156 HydrophobicContact CZ3-CG1 4.23Å; W116-I246 HydrophobicContact CB-CG2 4.4Å; W116-P247 HydrophobicContact CD2-CG 3.84Å; W116-P247 HydrophobicContact CE3-CG 3.65Å; W116-P247 HydrophobicContact CH2-CG 3.88Å; W116-P247 HydrophobicContact CZ2-CG 4.08Å; W116-P247 HydrophobicContact CZ3-CG 3.7Å; W116-H351 AromaticContact CH2-CE1 3.81Å; W116-W559 AromaticContact CH2-CH2 3.69Å; W116-W559 HydrophobicContact CH2-CH2 3.69Å; W116-W559 HydrophobicContact CH2-CZ2 4.14Å; W116-W559 AromaticContact CZ3-CH2 3.48Å; W116-W559 HydrophobicContact CZ3-CH2 3.48Å; W116-W559 VanDerWaalsContact CZ3-CH2 3.48Å; W116-W559 AromaticContact CZ3-CZ2 3.9Å; W116-W559 HydrophobicContact CZ3-CZ2 3.9Å
117	L	91.9	Very high	86.8	Confident	2 Å²	2	25.2 Å²	25.2	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	131.3	176.7	-49.8	-175.1	0	0	0	110.8	F115 V121 F122 C127 F129 Y143 V216 K217 I218	F115-L117 HydrophobicContact CB-CD2 4.27Å; L117-V121 HydrophobicContact CB-CG2 4.37Å; L117-F122 HydrophobicContact CD1-CD2 4.12Å; L117-F122 HydrophobicContact CD1-CE2 3.58Å; L117-C127 HydrophobicContact CB-CB 4.01Å; L117-C127 HydrophobicContact CD1-CB 4.26Å; L117-C127 PolarHBondContact N-O 3.1Å; L117-F129 HydrophobicContact CD1-CB 4.17Å; L117-F129 HydrophobicContact CD2-CB 4.03Å; L117-F129 HydrophobicContact CG-CB 4.34Å; L117-Y143 HydrophobicContact CD1-CD1 3.75Å; L117-Y143 HydrophobicContact CD1-CE1 3.98Å; L117-V216 HydrophobicContact CD2-CG1 4.28Å; L117-K217 WeakPolarHBondContact CD2-O 3.35Å; L117-I218 HydrophobicContact CD2-CG2 4.21Å
118	D	92.4	Very high	87	Confident	47 Å²	47	24.8 Å²	24.8	25%	0.251	14%	0.144	S	C	.	.	P	Polyproline II helix	trans	-62.5	149.1	171.8	-176.9	-100.3	0	0	0	110.8	S120 V121 I218	D118-S120 PolarHBondContact O-N 3.49Å; D118-S120 VanDerWaalsContact O-N 3.07Å; D118-S120 WeakPolarHBondContact OD1-CB 3.3Å; D118-S120 PolarHBondContact OD1-N 3.3Å; D118-S120 PolarHBondContact OD1-OG 3.15Å; D118-V121 WeakPolarHBondContact O-CB 3.35Å; D118-V121 WeakPolarHBondContact O-CG2 3.42Å; D118-V121 PolarHBondContact O-N 2.84Å; D118-I218 WeakPolarHBondContact CB-O 3.23Å; D118-I218 PolarHBondContact N-O 3.18Å
119	E	88.5	Confident	87.3	Confident	50 Å²	50	22.9 Å²	22.9	23%	0.234	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-52	-35.6	179.8	-174.5	-170.8	-168.5	0	0	111.7	V121 F122 C123 A124 D125 R396 K400	E119-V121 PolarHBondContact O-N 3.36Å; E119-F122 PolarHBondContact O-N 3.43Å; E119-C123 WeakPolarHBondContact O-CA 3.3Å; E119-C123 PolarHBondContact O-N 3.46Å; E119-A124 PolarHBondContact O-N 2.99Å; E119-D125 WeakPolarHBondContact CB-OD1 3.23Å; E119-R396 IonicContact OE1-NH2 2.81Å; E119-R396 PolarHBondContact OE1-NH2 3.41Å; E119-R396 IonicContact OE2-CZ 2.8Å; E119-R396 IonicContact OE2-NH2 3.59Å; E119-R396 PolarHBondContact OE2-NH2 3.21Å; E119-K400 WeakPolarHBondContact OE1-CE 3.46Å; E119-K400 IonicContact OE1-NZ 2.78Å; E119-K400 PolarHBondContact OE1-NZ 3.43Å
120	S	89.8	Confident	87.5	Confident	38 Å²	38	23 Å²	23	27%	0.266	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-59.5	-19	-179.7	62.5	0	0	0	0	115	D118 V220	D118-S120 PolarHBondContact O-N 3.49Å; D118-S120 VanDerWaalsContact O-N 3.07Å; D118-S120 WeakPolarHBondContact OD1-CB 3.3Å; D118-S120 PolarHBondContact OD1-N 3.3Å; D118-S120 PolarHBondContact OD1-OG 3.15Å; S120-V220 WeakPolarHBondContact CB-O 3.48Å; S120-V220 PolarHBondContact OG-N 2.8Å; S120-V220 PolarHBondContact OG-O 3.18Å
121	V	90.3	Very high	87.5	Confident	19 Å²	19	22.2 Å²	22.2	12%	0.115	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-70.2	-41.3	-179.2	-179.1	0	0	0	0	111.6	L117 D118 E119 K217 I218	L117-V121 HydrophobicContact CB-CG2 4.37Å; D118-V121 WeakPolarHBondContact O-CB 3.35Å; D118-V121 WeakPolarHBondContact O-CG2 3.42Å; D118-V121 PolarHBondContact O-N 2.84Å; E119-V121 PolarHBondContact O-N 3.36Å; V121-K217 HydrophobicContact CG1-CD 4.25Å; V121-K217 HydrophobicContact CG1-CG 4.2Å; V121-K217 HydrophobicContact CG2-CG 4.39Å; V121-I218 WeakPolarHBondContact CG2-O 3.2Å
122	F	88.1	Confident	87.4	Confident	50 Å²	50	20.9 Å²	20.9	22%	0.219	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.4	5.1	-175.6	-66.1	-57.4	0	0	0	114.3	K69 W76 L117 E119 A124 C127 Y143	K69-F122 HydrophobicContact CD-CE1 4.23Å; W76-F122 HydrophobicContact CH2-CD2 4.24Å; W76-F122 HydrophobicContact CH2-CE2 4.36Å; W76-F122 HydrophobicContact CZ2-CB 4.09Å; W76-F122 HydrophobicContact CZ2-CD1 4.39Å; W76-F122 AromaticContact CZ2-CD2 3.64Å; W76-F122 HydrophobicContact CZ2-CD2 3.64Å; W76-F122 HydrophobicContact CZ2-CE2 4.1Å; W76-F122 AromaticContact CZ2-CG 3.79Å; W76-F122 HydrophobicContact CZ2-CG 3.79Å; L117-F122 HydrophobicContact CD1-CD2 4.12Å; L117-F122 HydrophobicContact CD1-CE2 3.58Å; E119-F122 PolarHBondContact O-N 3.43Å; F122-A124 HydrophobicContact CB-CB 4.37Å; F122-A124 PolarHBondContact O-N 3.5Å; F122-C127 HydrophobicContact CD2-CB 4.33Å; F122-Y143 AromaticContact CE2-CD1 3.55Å; F122-Y143 HydrophobicContact CE2-CD1 3.55Å; F122-Y143 AromaticContact CE2-CE1 3.95Å; F122-Y143 HydrophobicContact CE2-CE1 3.95Å; F122-Y143 HydrophobicContact CE2-CG 4.28Å; F122-Y143 AromaticContact CZ-CD1 3.64Å; F122-Y143 HydrophobicContact CZ-CD1 3.64Å; F122-Y143 AromaticContact CZ-CE1 3.77Å; F122-Y143 HydrophobicContact CZ-CE1 3.77Å; F122-Y143 HydrophobicContact CZ-CG 4.17Å
123	C	85.1	Confident	86.6	Confident	95 Å²	95	22.3 Å²	22.3	64%	0.642	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	33.7	-168.8	-54.1	0	0	0	0	112.2	E119	E119-C123 WeakPolarHBondContact O-CA 3.3Å; E119-C123 PolarHBondContact O-N 3.46Å
124	A	84.6	Confident	85.6	Confident	4 Å²	4	28.8 Å²	28.8	3%	0.033	16%	0.158	C	C	.	.			trans	-142.5	129.6	-175.9	0	0	0	0	0	110	E119 F122 C127	E119-A124 PolarHBondContact O-N 2.99Å; F122-A124 HydrophobicContact CB-CB 4.37Å; F122-A124 PolarHBondContact O-N 3.5Å; A124-C127 PolarHBondContact O-SG 2.76Å
125	D	86.1	Confident	84.1	Confident	17 Å²	17	33.1 Å²	33.1	9%	0.091	19%	0.186	C	C	.	.	S	Bend	trans	-71.4	161.8	173.1	-79	-33.7	0	0	0	111.1	E119 C127 C145 Y149 R396	E119-D125 WeakPolarHBondContact CB-OD1 3.23Å; D125-C127 PolarHBondContact O-N 3.36Å; D125-C145 PolarHBondContact O-SG 2.9Å; D125-Y149 HydrophobicContact CB-CD2 3.97Å; D125-Y149 HydrophobicContact CB-CE2 4.15Å; D125-R396 IonicContact OD1-NH1 2.88Å; D125-R396 IonicContact OD1-NH2 3.96Å; D125-R396 IonicContact OD2-CZ 3.1Å; D125-R396 IonicContact OD2-NH1 3.33Å; D125-R396 PolarHBondContact OD2-NH1 2.97Å; D125-R396 IonicContact OD2-NH2 2.68Å; D125-R396 PolarHBondContact OD2-NH2 3.48Å
126	G	90.1	Very high	82.3	Confident	3 Å²	3	41.9 Å²	41.9	3%	0.031	23%	0.228	C	C	.	.	S	Bend	trans	69.8	31.1	172.4	0	0	0	0	0	114.9	C145 F146 F152	G126-C145 WeakPolarHBondContact O-CA 3.5Å; G126-F146 PolarHBondContact O-N 2.78Å; G126-F152 VanDerWaalsContact C-CE2 3.44Å; G126-F152 VanDerWaalsContact CA-CG 3.44Å; G126-F152 WeakPolarHBondContact O-CD2 3.34Å
127	C	92.9	Very high	80.2	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.007	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	134.9	-178.8	-67.6	0	0	0	0	112.3	L117 F122 A124 D125 L144	L117-C127 HydrophobicContact CB-CB 4.01Å; L117-C127 HydrophobicContact CD1-CB 4.26Å; L117-C127 PolarHBondContact N-O 3.1Å; F122-C127 HydrophobicContact CD2-CB 4.33Å; A124-C127 PolarHBondContact O-SG 2.76Å; D125-C127 PolarHBondContact O-N 3.36Å; C127-L144 CarbonylContact C-O 3.59Å; C127-L144 VanDerWaalsContact CA-O 3.28Å; C127-L144 WeakPolarHBondContact CA-O 3.35Å
128	L	92.6	Very high	78.3	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	155.2	175	-59.5	179.1	0	0	0	111.2	L114 F115 W116 Y143 L144 F146 F152 I156 L159	L114-L128 HydrophobicContact CD1-CD1 4.26Å; L114-L128 HydrophobicContact CD2-CD2 4.35Å; F115-L128 WeakPolarHBondContact O-CA 3.02Å; W116-L128 HydrophobicContact CB-CD2 4.4Å; L128-Y143 WeakPolarHBondContact O-CA 3.47Å; L128-L144 PolarHBondContact N-O 3.2Å; L128-L144 PolarHBondContact O-N 2.9Å; L128-F146 HydrophobicContact CD1-CD2 4.44Å; L128-F146 HydrophobicContact CD1-CE2 3.86Å; L128-F146 HydrophobicContact CG-CE2 4.48Å; L128-F152 HydrophobicContact CD1-CE2 4.16Å; L128-F152 HydrophobicContact CD2-CE2 3.5Å; L128-F152 VanDerWaalsContact CD2-CE2 3.5Å; L128-F152 HydrophobicContact CD2-CZ 3.99Å; L128-F152 HydrophobicContact CG-CD2 4.34Å; L128-F152 HydrophobicContact CG-CE2 3.65Å; L128-I156 HydrophobicContact CD1-CD1 3.95Å; L128-I156 HydrophobicContact CD2-CD1 3.64Å; L128-I156 HydrophobicContact CD2-CG1 4.48Å; L128-I156 HydrophobicContact CG-CD1 4.49Å; L128-L159 HydrophobicContact CD1-CD1 3.95Å
129	F	90.3	Very high	76.4	Confident	9 Å²	9	57.4 Å²	57.4	4%	0.039	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130	167	179.5	-105.5	0	0	0	110.6	F115 L117 T141 L142 Y143 V216	F115-F129 HydrophobicContact CB-CB 4.25Å; F115-F129 AromaticContact CD2-CD1 3.82Å; F115-F129 HydrophobicContact CD2-CD1 3.82Å; F115-F129 HydrophobicContact CE2-CD1 4.44Å; F115-F129 PolarHBondContact N-O 3.17Å; F115-F129 PolarHBondContact O-N 3.1Å; L117-F129 HydrophobicContact CD1-CB 4.17Å; L117-F129 HydrophobicContact CD2-CB 4.03Å; L117-F129 HydrophobicContact CG-CB 4.34Å; F129-T141 VanDerWaalsContact CE2-CB 3.43Å; F129-T141 HydrophobicContact CE2-CG2 4.15Å; F129-T141 VanDerWaalsContact CZ-CB 3.49Å; F129-T141 HydrophobicContact CZ-CG2 3.68Å; F129-L142 WeakPolarHBondContact CA-O 3.36Å; F129-Y143 HydrophobicContact CB-CD1 4.11Å; F129-Y143 HydrophobicContact CB-CE1 4.13Å; F129-Y143 AromaticContact CD2-CD1 3.52Å; F129-Y143 HydrophobicContact CD2-CD1 3.52Å; F129-Y143 AromaticContact CD2-CD2 3.96Å; F129-Y143 HydrophobicContact CD2-CD2 3.96Å; F129-Y143 AromaticContact CD2-CE1 3.28Å; F129-Y143 HydrophobicContact CD2-CE1 3.28Å; F129-Y143 AromaticContact CD2-CE2 3.73Å; F129-Y143 HydrophobicContact CD2-CE2 3.73Å; F129-Y143 AromaticContact CD2-CG 3.86Å; F129-Y143 HydrophobicContact CD2-CG 3.86Å; F129-Y143 AromaticContact CD2-CZ 3.38Å; F129-Y143 HydrophobicContact CE2-CD1 4.33Å; F129-Y143 HydrophobicContact CE2-CD2 4.11Å; F129-Y143 AromaticContact CE2-CE1 3.84Å; F129-Y143 HydrophobicContact CE2-CE1 3.84Å; F129-Y143 AromaticContact CE2-CE2 3.55Å; F129-Y143 HydrophobicContact CE2-CE2 3.55Å; F129-Y143 HydrophobicContact CE2-CG 4.47Å; F129-Y143 AromaticContact CE2-CZ 3.39Å; F129-Y143 HydrophobicContact CG-CD1 4.26Å; F129-Y143 AromaticContact CG-CE1 3.99Å; F129-Y143 HydrophobicContact CG-CE1 3.99Å; F129-V216 HydrophobicContact CB-CG1 4.16Å; F129-V216 HydrophobicContact CD1-CB 4.17Å; F129-V216 HydrophobicContact CD1-CG1 3.4Å; F129-V216 HydrophobicContact CD1-CG2 3.65Å; F129-V216 HydrophobicContact CE1-CB 4.25Å; F129-V216 HydrophobicContact CE1-CG1 3.85Å; F129-V216 HydrophobicContact CE1-CG2 3.36Å; F129-V216 HydrophobicContact CG-CG1 3.87Å; F129-V216 HydrophobicContact CZ-CG2 4.32Å
130	L	88.3	Confident	75.1	Confident	3 Å²	3	58.8 Å²	58.8	2%	0.016	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.9	173	-68.7	171.5	0	0	0	109.1	L93 L109 L114 L142 L144 T163	L93-L130 HydrophobicContact CD2-CD1 3.56Å; L109-L130 HydrophobicContact CD2-CD1 4.36Å; L114-L130 HydrophobicContact CB-CD2 3.98Å; L114-L130 HydrophobicContact CD1-CD2 3.96Å; L114-L130 HydrophobicContact CG-CD2 4.12Å; L130-L142 HydrophobicContact CB-CB 4.49Å; L130-L142 HydrophobicContact CD1-CD2 4.37Å; L130-L142 PolarHBondContact N-O 3.14Å; L130-L142 PolarHBondContact O-N 3.14Å; L130-L144 HydrophobicContact CD1-CD1 4.12Å; L130-T163 HydrophobicContact CD2-CG2 4.25Å
131	S	80.7	Confident	74.5	Confident	33 Å²	33	59.3 Å²	59.3	23%	0.231	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	114.8	-179.3	-164.8	0	0	0	0	110.5	C112 T113	C112-S131 CarbonylContact C-O 3.55Å; C112-S131 VanDerWaalsContact CA-O 3.29Å; C112-S131 WeakPolarHBondContact CA-O 3.36Å; T113-S131 PolarHBondContact N-O 3.27Å; T113-S131 PolarHBondContact O-N 2.91Å
132	P	75.4	Confident	74.3	Confident	16 Å²	16	58.7 Å²	58.7	10%	0.104	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	140.2	174.2	29.9	-34.3	0	0	0	110.8	F134 P139	P132-F134 PolarHBondContact O-N 3.33Å; P132-P139 HydrophobicContact CB-CG 3.9Å; P132-P139 HydrophobicContact CG-CG 3.97Å
133	S	64.5	Low	74.5	Confident	31 Å²	31	58.3 Å²	58.3	22%	0.217	31%	0.312	C	S	.	.	S	Bend	trans	-65.6	-22.1	-176.9	-63.9	0	0	0	0	114	T111 P135	T111-S133 VanDerWaalsContact O-CB 3.23Å; T111-S133 WeakPolarHBondContact O-CB 3.3Å; T111-S133 PolarHBondContact O-N 3.23Å; T111-S133 PolarHBondContact O-OG 3.25Å; S133-P135 VanDerWaalsContact O-CD 3.31Å; S133-P135 WeakPolarHBondContact O-CD 3.14Å
134	F	61.3	Low	74.9	Confident	148 Å²	148	53.8 Å²	53.8	65%	0.649	28%	0.281	S	S	*	.			trans	-119.8	79.9	179.6	-59.5	-74.9	0	0	0	111.4	P132 Q136 Q137	P132-F134 PolarHBondContact O-N 3.33Å; F134-Q136 PolarHBondContact O-N 3.36Å; F134-Q136 VanDerWaalsContact O-N 3.14Å; F134-Q137 PolarHBondContact O-N 2.59Å
135	P	53.9	Low	75.4	Confident	99 Å²	99	53.6 Å²	53.6	64%	0.643	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-66.6	-14.6	-178	24.1	-32.2	0	0	0	114	S133 Q137	S133-P135 VanDerWaalsContact O-CD 3.31Å; S133-P135 WeakPolarHBondContact O-CD 3.14Å; P135-Q137 VanDerWaalsContact C-N 3.27Å; P135-Q137 PolarHBondContact O-N 2.86Å
136	Q	51	Low	75.7	Confident	190 Å²	190	52.9 Å²	52.9	89%	0.888	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-74	-15.1	179.7	-67.4	-170.7	-6.5	0	0	113.7	F134	F134-Q136 PolarHBondContact O-N 3.36Å; F134-Q136 VanDerWaalsContact O-N 3.14Å
137	Q	46.3	Very low	75.6	Confident	166 Å²	166	55.2 Å²	55.2	78%	0.776	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-114.7	54.4	176	-69	-175.5	-16.4	0	0	111.1	F134 P135 P139	F134-Q137 PolarHBondContact O-N 2.59Å; P135-Q137 VanDerWaalsContact C-N 3.27Å; P135-Q137 PolarHBondContact O-N 2.86Å; Q137-P139 WeakPolarHBondContact O-CD 3.46Å; Q137-P139 VanDerWaalsContact O-N 3.15Å
138	Q	52.8	Low	75.3	Confident	187 Å²	187	58.8 Å²	58.8	87%	0.874	31%	0.307	S	S	*	.			trans	24.3	77.2	162.8	-64	-178.7	-12.6	0	0	116.5
139	P	51.3	Low	75	Confident	45 Å²	45	59.3 Å²	59.3	29%	0.292	31%	0.309	S	S	.	.				-104.8	136.5	126.7	26.1	-29.9	0	0	0	109.1	P132 Q137 T141	P132-P139 HydrophobicContact CB-CG 3.9Å; P132-P139 HydrophobicContact CG-CG 3.97Å; Q137-P139 WeakPolarHBondContact O-CD 3.46Å; Q137-P139 VanDerWaalsContact O-N 3.15Å; P139-T141 PolarHBondContact O-N 3.1Å
140	P	61.6	Low	74.8	Confident	80 Å²	80	60.7 Å²	60.7	52%	0.519	32%	0.318	S	S	.	.			trans	-62.1	134	177.1	23.4	-28.7	0	0	0	109.2	Q105 L142	Q105-P140 PolarHBondContact NE2-O 3.03Å; P140-L142 PolarHBondContact O-N 2.53Å
141	T	77.3	Confident	74.9	Confident	49 Å²	49	61.3 Å²	61.3	30%	0.301	32%	0.324	S	S	.	.			trans	-53.8	135.8	172.1	59	0	0	0	0	110.6	F129 P139	F129-T141 VanDerWaalsContact CE2-CB 3.43Å; F129-T141 HydrophobicContact CE2-CG2 4.15Å; F129-T141 VanDerWaalsContact CZ-CB 3.49Å; F129-T141 HydrophobicContact CZ-CG2 3.68Å; P139-T141 PolarHBondContact O-N 3.1Å
142	L	86.6	Confident	75.4	Confident	5 Å²	5	59.8 Å²	59.8	3%	0.026	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	117.5	-170.9	-177.5	63.2	0	0	0	111	R68 L93 V95 V107 F129 L130 P140 L144	R68-L142 HydrophobicContact CB-CD1 4.18Å; L93-L142 HydrophobicContact CD2-CD2 4.45Å; V95-L142 HydrophobicContact CG2-CD2 3.69Å; V107-L142 HydrophobicContact CG2-CD2 4.31Å; F129-L142 WeakPolarHBondContact CA-O 3.36Å; L130-L142 HydrophobicContact CB-CB 4.49Å; L130-L142 HydrophobicContact CD1-CD2 4.37Å; L130-L142 PolarHBondContact N-O 3.14Å; L130-L142 PolarHBondContact O-N 3.14Å; P140-L142 PolarHBondContact O-N 2.53Å; L142-L144 HydrophobicContact CD1-CD2 3.94Å; L142-L144 HydrophobicContact CD2-CD1 4.09Å; L142-L144 HydrophobicContact CD2-CD2 3.91Å; L142-L144 HydrophobicContact CD2-CG 4.06Å; L142-L144 HydrophobicContact CG-CD1 4.46Å; L142-L144 HydrophobicContact CG-CD2 3.81Å; L142-L144 HydrophobicContact CG-CG 3.91Å
143	Y	91.7	Very high	76.1	Confident	42 Å²	42	59 Å²	59	17%	0.165	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	130.7	165.2	-62.6	-90	0	0	0	109.2	R68 K69 L117 F122 L128 F129	R68-Y143 CarbonylContact C-O 3.51Å; R68-Y143 VanDerWaalsContact CA-O 3.28Å; R68-Y143 WeakPolarHBondContact CA-O 3.31Å; K69-Y143 PolarHBondContact N-O 3.26Å; K69-Y143 WeakPolarHBondContact O-CB 3.47Å; K69-Y143 WeakPolarHBondContact O-CD2 3.45Å; K69-Y143 PolarHBondContact O-N 2.66Å; L117-Y143 HydrophobicContact CD1-CD1 3.75Å; L117-Y143 HydrophobicContact CD1-CE1 3.98Å; F122-Y143 AromaticContact CE2-CD1 3.55Å; F122-Y143 HydrophobicContact CE2-CD1 3.55Å; F122-Y143 AromaticContact CE2-CE1 3.95Å; F122-Y143 HydrophobicContact CE2-CE1 3.95Å; F122-Y143 HydrophobicContact CE2-CG 4.28Å; F122-Y143 AromaticContact CZ-CD1 3.64Å; F122-Y143 HydrophobicContact CZ-CD1 3.64Å; F122-Y143 AromaticContact CZ-CE1 3.77Å; F122-Y143 HydrophobicContact CZ-CE1 3.77Å; F122-Y143 HydrophobicContact CZ-CG 4.17Å; L128-Y143 WeakPolarHBondContact O-CA 3.47Å; F129-Y143 HydrophobicContact CB-CD1 4.11Å; F129-Y143 HydrophobicContact CB-CE1 4.13Å; F129-Y143 AromaticContact CD2-CD1 3.52Å; F129-Y143 HydrophobicContact CD2-CD1 3.52Å; F129-Y143 AromaticContact CD2-CD2 3.96Å; F129-Y143 HydrophobicContact CD2-CD2 3.96Å; F129-Y143 AromaticContact CD2-CE1 3.28Å; F129-Y143 HydrophobicContact CD2-CE1 3.28Å; F129-Y143 AromaticContact CD2-CE2 3.73Å; F129-Y143 HydrophobicContact CD2-CE2 3.73Å; F129-Y143 AromaticContact CD2-CG 3.86Å; F129-Y143 HydrophobicContact CD2-CG 3.86Å; F129-Y143 AromaticContact CD2-CZ 3.38Å; F129-Y143 HydrophobicContact CE2-CD1 4.33Å; F129-Y143 HydrophobicContact CE2-CD2 4.11Å; F129-Y143 AromaticContact CE2-CE1 3.84Å; F129-Y143 HydrophobicContact CE2-CE1 3.84Å; F129-Y143 AromaticContact CE2-CE2 3.55Å; F129-Y143 HydrophobicContact CE2-CE2 3.55Å; F129-Y143 HydrophobicContact CE2-CG 4.47Å; F129-Y143 AromaticContact CE2-CZ 3.39Å; F129-Y143 HydrophobicContact CG-CD1 4.26Å; F129-Y143 AromaticContact CG-CE1 3.99Å; F129-Y143 HydrophobicContact CG-CE1 3.99Å
144	L	94.1	Very high	77.2	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	146.9	176.5	-62.9	176.3	0	0	0	109.9	L67 R68 L81 L93 C127 L128 L130 L142 F146	L67-L144 CarbonylContact O-C 3.54Å; L67-L144 VanDerWaalsContact O-CA 3.31Å; L67-L144 WeakPolarHBondContact O-CA 3.41Å; R68-L144 HydrophobicContact CB-CD2 4.16Å; L81-L144 HydrophobicContact CD1-CD1 3.94Å; L81-L144 HydrophobicContact CD1-CD2 4.08Å; L81-L144 HydrophobicContact CD2-CD2 4.08Å; L93-L144 HydrophobicContact CD2-CD1 3.96Å; C127-L144 CarbonylContact C-O 3.59Å; C127-L144 VanDerWaalsContact CA-O 3.28Å; C127-L144 WeakPolarHBondContact CA-O 3.35Å; L128-L144 PolarHBondContact N-O 3.2Å; L128-L144 PolarHBondContact O-N 2.9Å; L130-L144 HydrophobicContact CD1-CD1 4.12Å; L142-L144 HydrophobicContact CD1-CD2 3.94Å; L142-L144 HydrophobicContact CD2-CD1 4.09Å; L142-L144 HydrophobicContact CD2-CD2 3.91Å; L142-L144 HydrophobicContact CD2-CG 4.06Å; L142-L144 HydrophobicContact CG-CD1 4.46Å; L142-L144 HydrophobicContact CG-CD2 3.81Å; L142-L144 HydrophobicContact CG-CG 3.91Å; L144-F146 HydrophobicContact CB-CD2 4.5Å; L144-F146 HydrophobicContact CB-CE2 3.82Å; L144-F146 HydrophobicContact CB-CZ 4.37Å; L144-F146 HydrophobicContact CD1-CE2 4.22Å; L144-F146 HydrophobicContact CD1-CZ 4.07Å
145	C	94.3	Very high	78.6	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	123.3	169.5	169.9	0	0	0	0	108.3	L67 W76 D125 G126	L67-C145 HydrophobicContact CB-CB 4.13Å; L67-C145 PolarHBondContact N-O 3.13Å; L67-C145 PolarHBondContact O-N 3.08Å; W76-C145 HydrophobicContact CD2-CB 4.43Å; W76-C145 HydrophobicContact CE3-CB 4Å; W76-C145 HydrophobicContact CH2-CB 3.65Å; W76-C145 HydrophobicContact CZ2-CB 4.08Å; W76-C145 HydrophobicContact CZ3-CB 3.6Å; D125-C145 PolarHBondContact O-SG 2.9Å; G126-C145 WeakPolarHBondContact O-CA 3.5Å
146	F	93.1	Very high	80.2	Confident	1 Å²	1	52.6 Å²	52.6	0%	0.004	27%	0.265	C	S	.	.			trans	-101.2	134.6	-177.5	-65.2	-96.6	0	0	0	110.2	T64 A66 L81 G126 L128 L144 F152 W155 L159	T64-F146 HydrophobicContact CG2-CD1 4Å; T64-F146 HydrophobicContact CG2-CE1 3.82Å; A66-F146 HydrophobicContact CB-CD1 4.11Å; A66-F146 HydrophobicContact CB-CE1 4.2Å; L81-F146 HydrophobicContact CD1-CE1 3.67Å; L81-F146 HydrophobicContact CD1-CZ 3.73Å; G126-F146 PolarHBondContact O-N 2.78Å; L128-F146 HydrophobicContact CD1-CD2 4.44Å; L128-F146 HydrophobicContact CD1-CE2 3.86Å; L128-F146 HydrophobicContact CG-CE2 4.48Å; L144-F146 HydrophobicContact CB-CD2 4.5Å; L144-F146 HydrophobicContact CB-CE2 3.82Å; L144-F146 HydrophobicContact CB-CZ 4.37Å; L144-F146 HydrophobicContact CD1-CE2 4.22Å; L144-F146 HydrophobicContact CD1-CZ 4.07Å; F146-F152 HydrophobicContact CB-CB 3.75Å; F146-F152 HydrophobicContact CB-CD2 4.44Å; F146-F152 HydrophobicContact CD2-CD2 4.09Å; F146-W155 HydrophobicContact CD1-CB 3.91Å; F146-W155 AromaticContact CD1-CD1 3.91Å; F146-W155 HydrophobicContact CD1-CD2 4.31Å; F146-W155 AromaticContact CD1-CG 3.76Å; F146-W155 HydrophobicContact CD1-CG 3.76Å; F146-W155 HydrophobicContact CE1-CB 3.58Å; F146-W155 AromaticContact CE1-CD1 3.87Å; F146-W155 AromaticContact CE1-CD2 3.49Å; F146-W155 HydrophobicContact CE1-CD2 3.49Å; F146-W155 VanDerWaalsContact CE1-CD2 3.49Å; F146-W155 AromaticContact CE1-CE3 3.87Å; F146-W155 HydrophobicContact CE1-CE3 3.87Å; F146-W155 AromaticContact CE1-CG 3.34Å; F146-W155 HydrophobicContact CE1-CG 3.34Å; F146-W155 HydrophobicContact CE2-CB 4.34Å; F146-W155 HydrophobicContact CG-CB 4.41Å; F146-W155 HydrophobicContact CZ-CB 3.81Å; F146-W155 HydrophobicContact CZ-CD2 4.09Å; F146-W155 HydrophobicContact CZ-CE3 4.06Å; F146-W155 AromaticContact CZ-CG 4Å; F146-W155 HydrophobicContact CZ-CG 4Å; F146-L159 HydrophobicContact CZ-CD1 4.23Å
147	R	87.6	Confident	81.8	Confident	53 Å²	53	46.6 Å²	46.6	20%	0.2	24%	0.235	C	C	.	.	S	Bend	trans	-136	133.3	-179.7	-58.6	-172.2	177.4	-174.9	-2	108.8	L67 T401 E405	L67-R147 VanDerWaalsContact CD1-CZ 3.43Å; R147-T401 HydrophobicContact CB-CG2 3.69Å; R147-T401 HydrophobicContact CG-CG2 3.48Å; R147-T401 VanDerWaalsContact CG-CG2 3.48Å; R147-E405 VanDerWaalsContact CD-OE1 3.31Å; R147-E405 WeakPolarHBondContact CD-OE1 3.28Å; R147-E405 IonicContact NH1-OE1 2.89Å
148	P	86.4	Confident	83.6	Confident	75 Å²	75	40.7 Å²	40.7	49%	0.487	21%	0.208	S	C	.	.	S	Bend	cis	-69.9	171.3	-4.3	31.7	-37	0	0	0	112.7	T150 A151 F152	P148-T150 WeakPolarHBondContact CG-OG1 3.29Å; P148-T150 PolarHBondContact O-N 3.42Å; P148-A151 VanDerWaalsContact O-CB 3.28Å; P148-A151 WeakPolarHBondContact O-CB 3.12Å; P148-A151 PolarHBondContact O-N 3.3Å; P148-F152 PolarHBondContact O-N 3.02Å
149	Y	85.4	Confident	85.2	Confident	12 Å²	12	31.8 Å²	31.8	5%	0.047	17%	0.166	C	C	.	.	H	α-helix	trans	-55.9	-25.7	-179.8	-169	-101.6	0	0	0	114	D125 A151 F152 L153 H351 H397	D125-Y149 HydrophobicContact CB-CD2 3.97Å; D125-Y149 HydrophobicContact CB-CE2 4.15Å; Y149-A151 VanDerWaalsContact C-N 3.32Å; Y149-A151 PolarHBondContact O-N 3.19Å; Y149-F152 HydrophobicContact CD2-CD1 4.17Å; Y149-F152 AromaticContact CE2-CD1 3.78Å; Y149-F152 HydrophobicContact CE2-CD1 3.78Å; Y149-F152 HydrophobicContact CE2-CE1 4.15Å; Y149-F152 VanDerWaalsContact O-CB 3.29Å; Y149-F152 WeakPolarHBondContact O-CB 3.39Å; Y149-F152 PolarHBondContact O-N 3.33Å; Y149-L153 HydrophobicContact CD1-CD1 4.17Å; Y149-L153 HydrophobicContact CD1-CG 4.2Å; Y149-L153 HydrophobicContact CE1-CD1 3.99Å; Y149-L153 HydrophobicContact CE1-CD2 3.91Å; Y149-L153 HydrophobicContact CE1-CG 3.95Å; Y149-L153 PolarHBondContact O-N 3.43Å; Y149-H351 AromaticContact CE1-CD2 3.76Å; Y149-H351 AromaticContact CE1-NE2 3.6Å; Y149-H351 AromaticContact CZ-NE2 3.67Å; Y149-H351 PolarHBondContact OH-NE2 3.48Å; Y149-H397 WeakPolarHBondContact CB-O 3.32Å; Y149-H397 HydrophobicContact CD1-CB 3.78Å; Y149-H397 AromaticContact CD1-CG 3.83Å; Y149-H397 HydrophobicContact CE1-CB 4.11Å; Y149-H397 AromaticContact CE1-CD2 3.78Å; Y149-H397 AromaticContact CE1-CE1 3.84Å; Y149-H397 AromaticContact CE1-CG 3.62Å; Y149-H397 AromaticContact CE1-ND1 3.64Å; Y149-H397 AromaticContact CE1-NE2 3.94Å; Y149-H397 HydrophobicContact CG-CB 4.36Å; Y149-H397 AromaticContact CZ-CD2 3.87Å; Y149-H397 AromaticContact CZ-NE2 3.85Å
150	T	87.6	Confident	86.7	Confident	39 Å²	39	30.4 Å²	30.4	24%	0.239	16%	0.155	C	C	.	.	H	α-helix	trans	-67	-32.2	173.7	55	0	0	0	0	112.9	P148 L153 K154 A354 L398 L445	P148-T150 WeakPolarHBondContact CG-OG1 3.29Å; P148-T150 PolarHBondContact O-N 3.42Å; T150-L153 PolarHBondContact O-N 3.37Å; T150-K154 PolarHBondContact O-N 3.3Å; T150-A354 HydrophobicContact CG2-CB 4.2Å; T150-L398 HydrophobicContact CG2-CD2 4.44Å; T150-L445 HydrophobicContact CG2-CD1 3.95Å
151	A	90.4	Very high	87.5	Confident	16 Å²	16	29.3 Å²	29.3	13%	0.132	15%	0.15	C	C	.	.	H	α-helix	trans	-66.1	-41.5	172.5	0	0	0	0	0	110.4	P148 Y149 L153 K154 W155	P148-A151 VanDerWaalsContact O-CB 3.28Å; P148-A151 WeakPolarHBondContact O-CB 3.12Å; P148-A151 PolarHBondContact O-N 3.3Å; Y149-A151 VanDerWaalsContact C-N 3.32Å; Y149-A151 PolarHBondContact O-N 3.19Å; A151-L153 PolarHBondContact O-N 2.9Å; A151-K154 PolarHBondContact O-N 3.2Å; A151-W155 VanDerWaalsContact O-CD1 3.27Å; A151-W155 PolarHBondContact O-N 3.16Å
152	F	91.6	Very high	87.7	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-54.3	-49.1	174.2	171.9	-103.9	0	0	0	112.1	W116 G126 L128 F146 P148 Y149 K154 W155 I156	W116-F152 HydrophobicContact CD2-CE1 4.24Å; W116-F152 AromaticContact CD2-CZ 3.69Å; W116-F152 HydrophobicContact CD2-CZ 3.69Å; W116-F152 AromaticContact CE2-CE1 3.84Å; W116-F152 AromaticContact CE2-CZ 3.59Å; W116-F152 HydrophobicContact CE3-CE1 4.18Å; W116-F152 AromaticContact CE3-CZ 3.82Å; W116-F152 HydrophobicContact CE3-CZ 3.82Å; W116-F152 HydrophobicContact CG-CZ 4.4Å; W116-F152 AromaticContact CH2-CE1 3.43Å; W116-F152 HydrophobicContact CH2-CE1 3.43Å; W116-F152 VanDerWaalsContact CH2-CE1 3.43Å; W116-F152 AromaticContact CH2-CZ 3.91Å; W116-F152 HydrophobicContact CH2-CZ 3.91Å; W116-F152 AromaticContact CZ2-CE1 3.46Å; W116-F152 HydrophobicContact CZ2-CE1 3.46Å; W116-F152 VanDerWaalsContact CZ2-CE1 3.46Å; W116-F152 AromaticContact CZ2-CZ 3.75Å; W116-F152 HydrophobicContact CZ2-CZ 3.75Å; W116-F152 AromaticContact CZ3-CE1 3.77Å; W116-F152 HydrophobicContact CZ3-CE1 3.77Å; W116-F152 AromaticContact CZ3-CZ 3.9Å; W116-F152 HydrophobicContact CZ3-CZ 3.9Å; G126-F152 VanDerWaalsContact C-CE2 3.44Å; G126-F152 VanDerWaalsContact CA-CG 3.44Å; G126-F152 WeakPolarHBondContact O-CD2 3.34Å; L128-F152 HydrophobicContact CD1-CE2 4.16Å; L128-F152 HydrophobicContact CD2-CE2 3.5Å; L128-F152 VanDerWaalsContact CD2-CE2 3.5Å; L128-F152 HydrophobicContact CD2-CZ 3.99Å; L128-F152 HydrophobicContact CG-CD2 4.34Å; L128-F152 HydrophobicContact CG-CE2 3.65Å; F146-F152 HydrophobicContact CB-CB 3.75Å; F146-F152 HydrophobicContact CB-CD2 4.44Å; F146-F152 HydrophobicContact CD2-CD2 4.09Å; P148-F152 PolarHBondContact O-N 3.02Å; Y149-F152 HydrophobicContact CD2-CD1 4.17Å; Y149-F152 AromaticContact CE2-CD1 3.78Å; Y149-F152 HydrophobicContact CE2-CD1 3.78Å; Y149-F152 HydrophobicContact CE2-CE1 4.15Å; Y149-F152 VanDerWaalsContact O-CB 3.29Å; Y149-F152 WeakPolarHBondContact O-CB 3.39Å; Y149-F152 PolarHBondContact O-N 3.33Å; F152-K154 VanDerWaalsContact C-N 3.3Å; F152-K154 PolarHBondContact O-N 2.95Å; F152-W155 PolarHBondContact O-N 3.09Å; F152-I156 HydrophobicContact CZ-CB 4.45Å; F152-I156 VanDerWaalsContact O-CG2 3.3Å; F152-I156 WeakPolarHBondContact O-CG2 3.47Å; F152-I156 PolarHBondContact O-N 3.42Å
153	L	89	Confident	87.4	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.6	-33.6	-178.7	-65.3	178.6	0	0	0	113.7	Y149 T150 A151 I156 H351 A354 L355 W559	Y149-L153 HydrophobicContact CD1-CD1 4.17Å; Y149-L153 HydrophobicContact CD1-CG 4.2Å; Y149-L153 HydrophobicContact CE1-CD1 3.99Å; Y149-L153 HydrophobicContact CE1-CD2 3.91Å; Y149-L153 HydrophobicContact CE1-CG 3.95Å; Y149-L153 PolarHBondContact O-N 3.43Å; T150-L153 PolarHBondContact O-N 3.37Å; A151-L153 PolarHBondContact O-N 2.9Å; L153-I156 WeakPolarHBondContact O-CG2 2.86Å; L153-H351 HydrophobicContact CD1-CB 4.11Å; L153-H351 HydrophobicContact CD2-CB 4.4Å; L153-H351 VanDerWaalsContact CD2-CD2 3.5Å; L153-H351 WeakPolarHBondContact CD2-CD2 3.36Å; L153-A354 HydrophobicContact CD1-CB 3.71Å; L153-L355 HydrophobicContact CB-CD1 4.44Å; L153-L355 HydrophobicContact CB-CD2 4.08Å; L153-L355 HydrophobicContact CB-CG 4.46Å; L153-L355 HydrophobicContact CD1-CG 4.43Å; L153-W559 HydrophobicContact CD2-CZ2 4.3Å
154	K	87.8	Confident	86.3	Confident	126 Å²	126	29.8 Å²	29.8	55%	0.548	15%	0.149	S	C	.	.	H	α-helix	trans	-69.8	-49.3	173.6	-68.3	-179.8	178.2	-173.7	0	110.7	T150 A151 F152 R157 I158 L355	T150-K154 PolarHBondContact O-N 3.3Å; A151-K154 PolarHBondContact O-N 3.2Å; F152-K154 VanDerWaalsContact C-N 3.3Å; F152-K154 PolarHBondContact O-N 2.95Å; K154-R157 PolarHBondContact O-N 3.42Å; K154-I158 WeakPolarHBondContact O-CG1 3.39Å; K154-I158 PolarHBondContact O-N 2.89Å; K154-L355 HydrophobicContact CG-CD2 4.35Å
155	W	90.6	Very high	84.7	Confident	13 Å²	13	31.6 Å²	31.6	5%	0.049	16%	0.156	C	C	.	.	H	α-helix	trans	-69.2	-38.3	-175.1	-84.8	85.4	0	0	0	113.7	A62 T64 L81 L83 L93 F146 A151 F152 R157 I158 L159	A62-W155 HydrophobicContact CB-CH2 4.03Å; A62-W155 HydrophobicContact CB-CZ2 3.8Å; T64-W155 HydrophobicContact CG2-CD2 4.09Å; T64-W155 HydrophobicContact CG2-CH2 4.25Å; T64-W155 HydrophobicContact CG2-CZ2 3.41Å; T64-W155 VanDerWaalsContact CG2-CZ2 3.41Å; T64-W155 VanDerWaalsContact CG2-NE1 3.3Å; L81-W155 HydrophobicContact CB-CH2 4.26Å; L83-W155 HydrophobicContact CB-CH2 4.02Å; L83-W155 HydrophobicContact CB-CZ3 4.03Å; L93-W155 HydrophobicContact CD1-CH2 4.49Å; L93-W155 HydrophobicContact CD1-CZ3 3.82Å; F146-W155 HydrophobicContact CD1-CB 3.91Å; F146-W155 AromaticContact CD1-CD1 3.91Å; F146-W155 HydrophobicContact CD1-CD2 4.31Å; F146-W155 AromaticContact CD1-CG 3.76Å; F146-W155 HydrophobicContact CD1-CG 3.76Å; F146-W155 HydrophobicContact CE1-CB 3.58Å; F146-W155 AromaticContact CE1-CD1 3.87Å; F146-W155 AromaticContact CE1-CD2 3.49Å; F146-W155 HydrophobicContact CE1-CD2 3.49Å; F146-W155 VanDerWaalsContact CE1-CD2 3.49Å; F146-W155 AromaticContact CE1-CE3 3.87Å; F146-W155 HydrophobicContact CE1-CE3 3.87Å; F146-W155 AromaticContact CE1-CG 3.34Å; F146-W155 HydrophobicContact CE1-CG 3.34Å; F146-W155 HydrophobicContact CE2-CB 4.34Å; F146-W155 HydrophobicContact CG-CB 4.41Å; F146-W155 HydrophobicContact CZ-CB 3.81Å; F146-W155 HydrophobicContact CZ-CD2 4.09Å; F146-W155 HydrophobicContact CZ-CE3 4.06Å; F146-W155 AromaticContact CZ-CG 4Å; F146-W155 HydrophobicContact CZ-CG 4Å; A151-W155 VanDerWaalsContact O-CD1 3.27Å; A151-W155 PolarHBondContact O-N 3.16Å; F152-W155 PolarHBondContact O-N 3.09Å; W155-R157 VanDerWaalsContact C-N 3.27Å; W155-R157 PolarHBondContact O-N 3.45Å; W155-I158 PolarHBondContact O-N 3.08Å; W155-L159 HydrophobicContact CE3-CD1 4.25Å; W155-L159 HydrophobicContact CE3-CD2 4.29Å; W155-L159 HydrophobicContact CE3-CG 4.15Å; W155-L159 HydrophobicContact CZ3-CD2 4.46Å; W155-L159 WeakPolarHBondContact O-CB 3.29Å; W155-L159 VanDerWaalsContact O-CG 3.25Å; W155-L159 WeakPolarHBondContact O-CG 3.36Å; W155-L159 PolarHBondContact O-N 2.94Å
156	I	88.1	Confident	82.6	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-59	-40.4	176.9	-174.6	50.1	0	0	0	111.4	L114 W116 L128 F152 L153 R160	L114-I156 HydrophobicContact CD1-CD1 3.92Å; L114-I156 HydrophobicContact CD2-CD1 3.33Å; L114-I156 HydrophobicContact CG-CD1 4.24Å; W116-I156 HydrophobicContact CE3-CG1 4.04Å; W116-I156 HydrophobicContact CZ3-CG1 4.23Å; L128-I156 HydrophobicContact CD1-CD1 3.95Å; L128-I156 HydrophobicContact CD2-CD1 3.64Å; L128-I156 HydrophobicContact CD2-CG1 4.48Å; L128-I156 HydrophobicContact CG-CD1 4.49Å; F152-I156 HydrophobicContact CZ-CB 4.45Å; F152-I156 VanDerWaalsContact O-CG2 3.3Å; F152-I156 WeakPolarHBondContact O-CG2 3.47Å; F152-I156 PolarHBondContact O-N 3.42Å; L153-I156 WeakPolarHBondContact O-CG2 2.86Å; I156-R160 WeakPolarHBondContact O-CB 3.45Å; I156-R160 PolarHBondContact O-N 3.34Å
157	R	83.2	Confident	79.9	Confident	65 Å²	65	39.5 Å²	39.5	25%	0.245	20%	0.196	C	C	.	.	H	α-helix	trans	-63.4	-51.9	176.6	-169.3	-149.6	-165.9	162.6	-35.2	111.1	K154 W155 L159 R160 S161 E554 H556	K154-R157 PolarHBondContact O-N 3.42Å; W155-R157 VanDerWaalsContact C-N 3.27Å; W155-R157 PolarHBondContact O-N 3.45Å; R157-L159 PolarHBondContact O-N 2.92Å; R157-R160 PolarHBondContact O-N 2.96Å; R157-S161 PolarHBondContact O-N 3.37Å; R157-E554 IonicContact CZ-OE1 3.12Å; R157-E554 IonicContact NH1-OE1 2.7Å; R157-E554 PolarHBondContact NH1-OE1 3.44Å; R157-E554 IonicContact NH2-OE1 2.71Å; R157-E554 PolarHBondContact NH2-OE1 2.93Å; R157-H556 VanDerWaalsContact CD-CE1 3.42Å; R157-H556 WeakPolarHBondContact CD-CE1 3.32Å; R157-H556 WeakPolarHBondContact CD-ND1 3.42Å; R157-H556 PolarHBondContact NH1-CD2 3.04Å; R157-H556 VanDerWaalsContact NH1-CD2 3.28Å; R157-H556 PolarHBondContact NH1-CE1 2.76Å; R157-H556 VanDerWaalsContact NH1-CE1 3.3Å; R157-H556 PolarHBondContact NH1-ND1 2.86Å; R157-H556 PolarHBondContact NH1-NE2 3.21Å
158	I	84.6	Confident	77.4	Confident	41 Å²	41	42 Å²	42	21%	0.21	22%	0.216	C	C	.	.	H	α-helix	trans	-59.8	-47.2	-177.1	-65.7	169.3	0	0	0	110.5	A62 L83 K154 W155 S161 R162	A62-I158 HydrophobicContact CB-CD1 4.41Å; L83-I158 HydrophobicContact CD2-CG2 3.12Å; K154-I158 WeakPolarHBondContact O-CG1 3.39Å; K154-I158 PolarHBondContact O-N 2.89Å; W155-I158 PolarHBondContact O-N 3.08Å; I158-S161 PolarHBondContact O-OG 3.19Å; I158-R162 PolarHBondContact O-NH1 3.19Å
159	L	87.1	Confident	74.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.8	-45.3	-179.7	-68.6	173.7	0	0	0	111.6	L93 L109 L114 L128 F146 W155 R157 S161 R162 T163	L93-L159 HydrophobicContact CD1-CD2 4.34Å; L93-L159 HydrophobicContact CD2-CD2 4.22Å; L109-L159 HydrophobicContact CD1-CD2 3.89Å; L109-L159 HydrophobicContact CD2-CD2 4.32Å; L114-L159 HydrophobicContact CD1-CB 3.61Å; L114-L159 HydrophobicContact CD1-CD1 4.33Å; L128-L159 HydrophobicContact CD1-CD1 3.95Å; F146-L159 HydrophobicContact CZ-CD1 4.23Å; W155-L159 HydrophobicContact CE3-CD1 4.25Å; W155-L159 HydrophobicContact CE3-CD2 4.29Å; W155-L159 HydrophobicContact CE3-CG 4.15Å; W155-L159 HydrophobicContact CZ3-CD2 4.46Å; W155-L159 WeakPolarHBondContact O-CB 3.29Å; W155-L159 VanDerWaalsContact O-CG 3.25Å; W155-L159 WeakPolarHBondContact O-CG 3.36Å; W155-L159 PolarHBondContact O-N 2.94Å; R157-L159 PolarHBondContact O-N 2.92Å; L159-S161 VanDerWaalsContact C-N 3.26Å; L159-S161 PolarHBondContact O-N 3.35Å; L159-R162 PolarHBondContact O-N 2.73Å; L159-T163 WeakPolarHBondContact O-CG2 3.48Å; L159-T163 PolarHBondContact O-N 3.2Å; L159-T163 PolarHBondContact O-OG1 3.23Å
160	R	82.4	Confident	72.6	Confident	16 Å²	16	48 Å²	48	6%	0.06	26%	0.257	C	S	.	.	H	α-helix	trans	-60.7	-35.8	-177.4	-167.1	-167.2	69.1	178	3.6	112.5	I156 R157 R162 T163 Y165 C248 E558	I156-R160 WeakPolarHBondContact O-CB 3.45Å; I156-R160 PolarHBondContact O-N 3.34Å; R157-R160 PolarHBondContact O-N 2.96Å; R160-R162 PolarHBondContact O-N 3.47Å; R160-T163 PolarHBondContact O-OG1 2.86Å; R160-Y165 WeakPolarHBondContact CD-OH 3.47Å; R160-Y165 WeakPolarHBondContact CG-OH 3.35Å; R160-Y165 PolarHBondContact NE-OH 3.45Å; R160-Y165 VanDerWaalsContact NE-OH 3.15Å; R160-C248 PolarHBondContact NH1-SG 3.32Å; R160-E558 IonicContact CZ-OE1 2.79Å; R160-E558 VanDerWaalsContact NH1-CG 3.33Å; R160-E558 IonicContact NH2-OE1 2.95Å; R160-E558 PolarHBondContact NH2-OE1 3.21Å
161	S	78.4	Confident	70.2	Confident	58 Å²	58	49.9 Å²	49.9	41%	0.406	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-12.6	175.4	66.8	0	0	0	0	114.7	R157 I158 L159	R157-S161 PolarHBondContact O-N 3.37Å; I158-S161 PolarHBondContact O-OG 3.19Å; L159-S161 VanDerWaalsContact C-N 3.26Å; L159-S161 PolarHBondContact O-N 3.35Å
162	R	81.3	Confident	67.8	Low	57 Å²	57	58 Å²	58	22%	0.215	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-4.1	-173.9	-69.6	170.9	167.8	73.6	2.7	113.4	D85 S91 L109 S110 I158 L159 R160	D85-R162 IonicContact OD1-CZ 3.83Å; D85-R162 IonicContact OD1-NE 2.8Å; D85-R162 PolarHBondContact OD1-NE 3.35Å; D85-R162 VanDerWaalsContact OD1-NE 3.1Å; D85-R162 IonicContact OD1-NH2 2.65Å; D85-R162 IonicContact OD2-CZ 3.41Å; D85-R162 IonicContact OD2-NE 3.15Å; D85-R162 IonicContact OD2-NH2 3.82Å; D85-R162 PolarHBondContact OD2-NH2 3.15Å; S91-R162 WeakPolarHBondContact OG-CD 3.44Å; S91-R162 WeakPolarHBondContact OG-CG 3.28Å; S91-R162 PolarHBondContact OG-NE 2.88Å; L109-R162 CarbonylContact C-O 3.55Å; L109-R162 HydrophobicContact CB-CB 4.1Å; L109-R162 VanDerWaalsContact CB-O 3.25Å; L109-R162 WeakPolarHBondContact CB-O 3.34Å; L109-R162 HydrophobicContact CD1-CB 3.78Å; S110-R162 PolarHBondContact N-O 3.3Å; I158-R162 PolarHBondContact O-NH1 3.19Å; L159-R162 PolarHBondContact O-N 2.73Å; R160-R162 PolarHBondContact O-N 3.47Å
163	T	80.6	Confident	65.3	Low	12 Å²	12	64.3 Å²	64.3	7%	0.074	34%	0.34	C	S	.	.	S	Bend	trans	-101.8	153.5	-178.1	51.3	0	0	0	0	112.6	L109 C112 L114 L130 L159 R160 Y165	L109-T163 HydrophobicContact CB-CG2 4.17Å; L109-T163 HydrophobicContact CD2-CG2 4.12Å; L109-T163 WeakPolarHBondContact O-CA 3.46Å; C112-T163 HydrophobicContact CB-CG2 4.4Å; C112-T163 VanDerWaalsContact O-CB 3.32Å; C112-T163 WeakPolarHBondContact O-CB 3.36Å; L114-T163 HydrophobicContact CB-CG2 4.19Å; L130-T163 HydrophobicContact CD2-CG2 4.25Å; L159-T163 WeakPolarHBondContact O-CG2 3.48Å; L159-T163 PolarHBondContact O-N 3.2Å; L159-T163 PolarHBondContact O-OG1 3.23Å; R160-T163 PolarHBondContact O-OG1 2.86Å; T163-Y165 PolarHBondContact O-N 3.41Å
164	I	67.7	Low	62.6	Low	37 Å²	37	73.3 Å²	73.3	19%	0.19	38%	0.382	C	S	.	.			trans	-64.3	128.7	178.4	-62.2	178.4	0	0	0	110.7	S110 C112 Q166	S110-I164 WeakPolarHBondContact O-CD1 3.44Å; S110-I164 WeakPolarHBondContact O-CG1 3.41Å; C112-I164 PolarHBondContact O-N 3.13Å; I164-Q166 HydrophobicContact CB-CG 4.49Å; I164-Q166 HydrophobicContact CG2-CB 4.05Å; I164-Q166 HydrophobicContact CG2-CG 3.46Å; I164-Q166 VanDerWaalsContact CG2-CG 3.46Å
165	Y	61.5	Low	60.1	Low	39 Å²	39	70.1 Å²	70.1	15%	0.153	39%	0.386	C	S	.	.			trans	-93.4	105.3	150.6	-68	-82.4	0	0	0	107.2	R160 T163 D167 N183 T251	R160-Y165 WeakPolarHBondContact CD-OH 3.47Å; R160-Y165 WeakPolarHBondContact CG-OH 3.35Å; R160-Y165 PolarHBondContact NE-OH 3.45Å; R160-Y165 VanDerWaalsContact NE-OH 3.15Å; T163-Y165 PolarHBondContact O-N 3.41Å; Y165-D167 VanDerWaalsContact C-N 3.3Å; Y165-D167 PolarHBondContact O-N 3.37Å; Y165-N183 VanDerWaalsContact CD2-OD1 3.28Å; Y165-N183 WeakPolarHBondContact CD2-OD1 3.45Å; Y165-N183 VanDerWaalsContact CE2-OD1 3.24Å; Y165-N183 WeakPolarHBondContact CE2-OD1 3.44Å; Y165-T251 WeakPolarHBondContact CB-OG1 3.5Å; Y165-T251 HydrophobicContact CD1-CG2 3.68Å; Y165-T251 WeakPolarHBondContact CD1-OG1 3.46Å; Y165-T251 HydrophobicContact CE1-CG2 4.01Å
166	Q	49.4	Very low	57.2	Low	88 Å²	88	75.9 Å²	75.9	41%	0.411	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	77.3	-167.1	-82.9	-174.3	-18.5	0	0	112.4	I164 C252	I164-Q166 HydrophobicContact CB-CG 4.49Å; I164-Q166 HydrophobicContact CG2-CB 4.05Å; I164-Q166 HydrophobicContact CG2-CG 3.46Å; I164-Q166 VanDerWaalsContact CG2-CG 3.46Å; Q166-C252 HydrophobicContact CB-CB 3.79Å; Q166-C252 WeakPolarHBondContact O-CB 3.35Å
167	D	36.9	Very low	54.5	Low	79 Å²	79	82.6 Å²	82.6	42%	0.422	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	2.2	159.5	-78.5	-25.5	0	0	0	113.2	Y165	Y165-D167 VanDerWaalsContact C-N 3.3Å; Y165-D167 PolarHBondContact O-N 3.37Å
168	V	35.1	Very low	51.8	Low	104 Å²	104	83.5 Å²	83.5	63%	0.63	47%	0.473	S	S	*	.	S	Bend	trans	-146.6	131.4	171.1	-158.7	0	0	0	0	110.9
169	P	33.8	Very low	49.3	Very low	106 Å²	106	88.6 Å²	88.6	69%	0.688	51%	0.506	S	S	*	.			trans	-59	146	164.4	26.6	-32.2	0	0	0	108.8	P171	P169-P171 WeakPolarHBondContact O-CD 3.32Å
170	P	37.1	Very low	46.8	Very low	108 Å²	108	92 Å²	92	70%	0.701	54%	0.541	S	S	*	.			trans	-57	113.1	-172	22.4	-31.2	0	0	0	109.3	M172	P170-M172 PolarHBondContact O-N 3.5Å
171	P	36.5	Very low	44.8	Very low	79 Å²	79	95 Å²	95	51%	0.513	56%	0.555	S	S	.	*			trans	-69.5	132.2	163.4	8.7	7.8	0	0	0	104.8	P169 L173	P169-P171 WeakPolarHBondContact O-CD 3.32Å; P171-L173 HydrophobicContact CB-CD1 4.13Å; P171-L173 HydrophobicContact CB-CG 4Å; P171-L173 HydrophobicContact CG-CD1 3.84Å; P171-L173 HydrophobicContact CG-CG 4.27Å; P171-L173 PolarHBondContact O-N 3.46Å
172	M	41.4	Very low	43	Very low	187 Å²	187	97.8 Å²	97.8	92%	0.921	57%	0.573	S	S	*	*			trans	-53.2	109	164.5	-57.9	-154.6	76.8	0	0	108	P170	P170-M172 PolarHBondContact O-N 3.5Å
173	L	39	Very low	41.5	Very low	131 Å²	131	97.8 Å²	97.8	69%	0.686	58%	0.577	S	S	*	*			trans	-135.8	103.9	178.2	-67.8	169.6	0	0	0	105	P171	P171-L173 HydrophobicContact CB-CD1 4.13Å; P171-L173 HydrophobicContact CB-CG 4Å; P171-L173 HydrophobicContact CG-CD1 3.84Å; P171-L173 HydrophobicContact CG-CG 4.27Å; P171-L173 PolarHBondContact O-N 3.46Å
174	Q	31.6	Very low	40.8	Very low	189 Å²	189	99.9 Å²	99.9	88%	0.883	59%	0.592	S	S	*	*			cis	40.9	84	40.5	-76.2	-159.3	-5.2	0	0	113.3
175	G	34.6	Very low	41.3	Very low	60 Å²	60	101.4 Å²	101.4	62%	0.619	60%	0.598	S	S	*	*	S	Bend	trans	94.7	121.6	148.8	0	0	0	0	0	114.5
176	T	30.9	Very low	42.4	Very low	133 Å²	133	99.6 Å²	99.6	82%	0.816	59%	0.591	S	S	*	*			trans	63.5	80.6	159.5	47.5	0	0	0	0	116.2	S178	T176-S178 PolarHBondContact O-N 2.96Å
177	I	32.1	Very low	44.1	Very low	145 Å²	145	95.4 Å²	95.4	74%	0.744	57%	0.572	S	S	*	*			trans	-67.2	87.3	152.4	-58.4	173.6	0	0	0	106.5
178	S	26.1	Very low	46.6	Very low	84 Å²	84	91.8 Å²	91.8	59%	0.587	55%	0.552	S	S	*	*			trans	-78.1	114.2	167.3	163.2	0	0	0	0	106.8	T176 G180	T176-S178 PolarHBondContact O-N 2.96Å; S178-G180 PolarHBondContact O-N 3.24Å
179	V	31.8	Very low	49.3	Very low	149 Å²	149	86.8 Å²	86.8	90%	0.903	52%	0.522	S	S	*	.	S	Bend	trans	-47.5	106.3	172.5	177.6	0	0	0	0	109.8
180	G	35.2	Very low	52.1	Low	72 Å²	72	82.1 Å²	82.1	74%	0.742	49%	0.492	S	S	*	.			trans	144	48	-175.2	0	0	0	0	0	112.3	S178	S178-G180 PolarHBondContact O-N 3.24Å
181	E	39.4	Very low	54.7	Low	77 Å²	77	77 Å²	77	36%	0.36	46%	0.459	S	S	.	.			trans	-108.7	164.4	-171	-83.1	177.5	178.8	0	0	112.4	N183 S184	E181-N183 PolarHBondContact O-N 2.88Å; E181-S184 PolarHBondContact O-N 3.26Å; E181-S184 VanDerWaalsContact O-N 3.16Å; E181-S184 PolarHBondContact O-OG 3.16Å
182	P	40.5	Very low	57.5	Low	118 Å²	118	74.5 Å²	74.5	77%	0.766	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.9	-1.3	173.9	13.7	-30.8	0	0	0	117.3	S184	P182-S184 VanDerWaalsContact C-N 3.27Å; P182-S184 PolarHBondContact O-N 2.7Å
183	N	50.2	Low	60	Low	57 Å²	57	65.6 Å²	65.6	31%	0.305	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	3.4	168.2	-69.9	-31	0	0	0	115.3	Y165 E181 Q185	Y165-N183 VanDerWaalsContact CD2-OD1 3.28Å; Y165-N183 WeakPolarHBondContact CD2-OD1 3.45Å; Y165-N183 VanDerWaalsContact CE2-OD1 3.24Å; Y165-N183 WeakPolarHBondContact CE2-OD1 3.44Å; E181-N183 PolarHBondContact O-N 2.88Å; N183-Q185 VanDerWaalsContact C-N 3.33Å; N183-Q185 PolarHBondContact O-N 3.34Å
184	S	66.8	Low	62.6	Low	56 Å²	56	62.6 Å²	62.6	39%	0.392	38%	0.381	S	S	.	.			trans	-92.6	35.5	-174.2	55.8	0	0	0	0	113.7	E181 P182 V309	E181-S184 PolarHBondContact O-N 3.26Å; E181-S184 VanDerWaalsContact O-N 3.16Å; E181-S184 PolarHBondContact O-OG 3.16Å; P182-S184 VanDerWaalsContact C-N 3.27Å; P182-S184 PolarHBondContact O-N 2.7Å; S184-V309 PolarHBondContact O-N 3.06Å
185	Q	77.9	Confident	65.6	Low	68 Å²	68	56.7 Å²	56.7	32%	0.318	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	149	175.5	-59.6	-171.1	-10.9	0	0	112.1	N183 C307	N183-Q185 VanDerWaalsContact C-N 3.33Å; N183-Q185 PolarHBondContact O-N 3.34Å; Q185-C307 CarbonylContact C-O 3.57Å; Q185-C307 VanDerWaalsContact CA-O 3.27Å; Q185-C307 WeakPolarHBondContact CA-O 3.48Å
186	V	84	Confident	68.4	Low	1 Å²	1	53.8 Å²	53.8	1%	0.006	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.2	168.1	-178.4	0	0	0	0	108.9	C307 V309 E558	V186-C307 PolarHBondContact N-O 3.1Å; V186-C307 PolarHBondContact O-N 3.24Å; V186-V309 HydrophobicContact CB-CG2 4.41Å; V186-V309 HydrophobicContact CG2-CG2 3.46Å; V186-V309 VanDerWaalsContact CG2-CG2 3.46Å; V186-E558 HydrophobicContact CG2-CB 3.73Å; V186-E558 HydrophobicContact CG2-CG 3.76Å
187	S	85.5	Confident	71.2	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.007	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	129.9	171.5	-66	0	0	0	0	110.8	P247 C248 I249 T251 N305	S187-P247 CarbonylContact O-C 3.54Å; S187-C248 PolarHBondContact O-N 3.36Å; S187-I249 PolarHBondContact O-N 2.87Å; S187-T251 WeakPolarHBondContact OG-CG2 3.43Å; S187-N305 CarbonylContact C-O 3.55Å; S187-N305 WeakPolarHBondContact CA-O 3.38Å
188	I	89.6	Confident	74	Confident	2 Å²	2	42 Å²	42	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.5	174.9	-54.2	165.2	0	0	0	107.9	V245 R304 N305 F344 C562 Y565	I188-V245 HydrophobicContact CG2-CG1 3.54Å; I188-R304 CarbonylContact O-C 3.46Å; I188-R304 WeakPolarHBondContact O-CA 3.37Å; I188-N305 PolarHBondContact N-O 2.76Å; I188-N305 PolarHBondContact O-N 3.35Å; I188-F344 HydrophobicContact CD1-CE1 3.73Å; I188-F344 HydrophobicContact CD1-CZ 4.12Å; I188-F344 HydrophobicContact CG1-CE1 4.32Å; I188-F344 HydrophobicContact CG1-CZ 4.25Å; I188-F344 HydrophobicContact CG2-CE1 4.33Å; I188-F344 HydrophobicContact CG2-CZ 4.38Å; I188-C562 HydrophobicContact CD1-CB 4.25Å; I188-Y565 HydrophobicContact CD1-CD1 4.14Å
189	L	90.4	Very high	77	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	116.6	172.1	-179	59.1	0	0	0	110.5	I191 L213 I218 V245 I246 I249 I256 L281	L189-I191 HydrophobicContact CD1-CD1 4.33Å; L189-I191 HydrophobicContact CD1-CG1 4.1Å; L189-I191 HydrophobicContact CD2-CD1 3.63Å; L189-I191 HydrophobicContact CD2-CG1 4.24Å; L189-I191 HydrophobicContact CG-CD1 3.86Å; L189-I191 HydrophobicContact CG-CG1 3.91Å; L189-L213 HydrophobicContact CD2-CD1 3.85Å; L189-L213 HydrophobicContact CD2-CD2 3.51Å; L189-L213 HydrophobicContact CD2-CG 4.24Å; L189-I218 HydrophobicContact CD2-CD1 4.41Å; L189-V245 CarbonylContact O-C 3.56Å; L189-V245 WeakPolarHBondContact O-CA 3.44Å; L189-I246 PolarHBondContact N-O 3.24Å; L189-I246 PolarHBondContact O-N 3.02Å; L189-I249 HydrophobicContact CB-CD1 3.7Å; L189-I249 HydrophobicContact CB-CG1 4.25Å; L189-I249 HydrophobicContact CB-CG2 4.01Å; L189-I249 HydrophobicContact CD2-CD1 4.29Å; L189-I249 HydrophobicContact CG-CD1 4.43Å; L189-I256 HydrophobicContact CD1-CD1 4.12Å; L189-I256 HydrophobicContact CD2-CG1 4.45Å; L189-L281 HydrophobicContact CD1-CD1 3.6Å
190	S	92.5	Very high	79.7	Confident	8 Å²	8	43.7 Å²	43.7	6%	0.056	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	128.9	167.7	-169.5	0	0	0	0	109.7	F244 A302 Q303 H340	S190-F244 CarbonylContact C-O 3.47Å; S190-F244 WeakPolarHBondContact CA-O 3.44Å; S190-A302 CarbonylContact O-C 3.54Å; S190-A302 VanDerWaalsContact O-CA 3.3Å; S190-A302 WeakPolarHBondContact O-CA 3.22Å; S190-Q303 PolarHBondContact N-O 2.81Å; S190-Q303 PolarHBondContact O-N 3.16Å; S190-H340 PolarHBondContact OG-NE2 3.26Å
191	I	93.4	Very high	82.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	124	174	-65.2	168.1	0	0	0	108.5	L189 I193 V211 K243 F244 I256 L258 R301 A302	L189-I191 HydrophobicContact CD1-CD1 4.33Å; L189-I191 HydrophobicContact CD1-CG1 4.1Å; L189-I191 HydrophobicContact CD2-CD1 3.63Å; L189-I191 HydrophobicContact CD2-CG1 4.24Å; L189-I191 HydrophobicContact CG-CD1 3.86Å; L189-I191 HydrophobicContact CG-CG1 3.91Å; I191-I193 HydrophobicContact CG2-CD1 4.37Å; I191-I193 HydrophobicContact CG2-CG1 3.87Å; I191-V211 HydrophobicContact CD1-CG1 3.37Å; I191-K243 CarbonylContact O-C 3.57Å; I191-K243 VanDerWaalsContact O-CA 3.25Å; I191-K243 WeakPolarHBondContact O-CA 3.37Å; I191-F244 PolarHBondContact N-O 3.19Å; I191-F244 PolarHBondContact O-N 2.69Å; I191-I256 HydrophobicContact CD1-CD1 4.35Å; I191-I256 HydrophobicContact CD1-CG2 4Å; I191-L258 HydrophobicContact CG2-CD2 4.47Å; I191-R301 CarbonylContact C-O 3.59Å; I191-R301 WeakPolarHBondContact CA-O 3.34Å; I191-A302 HydrophobicContact CG1-CB 3.99Å
192	E	94.8	Very high	84.7	Confident	26 Å²	26	43.4 Å²	43.4	12%	0.121	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	115.6	175.2	-58.7	-176.8	-106.6	0	0	108.7	K243 F300 R301 H340	E192-K243 HydrophobicContact CB-CG 4.21Å; E192-K243 HydrophobicContact CG-CB 4.45Å; E192-K243 HydrophobicContact CG-CD 4.06Å; E192-K243 HydrophobicContact CG-CG 3.97Å; E192-K243 WeakPolarHBondContact OE2-CE 3.43Å; E192-K243 IonicContact OE2-NZ 3.86Å; E192-F300 CarbonylContact O-C 3.52Å; E192-F300 WeakPolarHBondContact O-CA 3.37Å; E192-F300 WeakPolarHBondContact O-CB 3.44Å; E192-R301 HydrophobicContact CB-CB 4.39Å; E192-R301 PolarHBondContact N-O 3.45Å; E192-R301 PolarHBondContact O-N 2.91Å; E192-R301 IonicContact OE1-CZ 2.96Å; E192-R301 IonicContact OE1-NH1 3.84Å; E192-R301 PolarHBondContact OE1-NH1 3.17Å; E192-R301 IonicContact OE2-NH1 2.79Å; E192-H340 IonicContact OE1-CE1 3.85Å; E192-H340 IonicContact OE2-CE1 3.83Å
193	I	94.6	Very high	86.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	109.9	177.9	-49.8	177.1	0	0	0	108.3	I191 A209 V211 I240 D241 S242 F244 L258 F298 F300	I191-I193 HydrophobicContact CG2-CD1 4.37Å; I191-I193 HydrophobicContact CG2-CG1 3.87Å; I193-A209 HydrophobicContact CD1-CB 3.81Å; I193-V211 HydrophobicContact CD1-CG2 3.93Å; I193-I240 HydrophobicContact CB-CG2 4.25Å; I193-I240 HydrophobicContact CG2-CB 4.22Å; I193-I240 HydrophobicContact CG2-CD1 3.71Å; I193-I240 HydrophobicContact CG2-CG2 4.13Å; I193-D241 VanDerWaalsContact O-CA 3.3Å; I193-D241 WeakPolarHBondContact O-CA 3.43Å; I193-D241 PolarHBondContact O-N 2.86Å; I193-D241 VanDerWaalsContact O-N 3.1Å; I193-S242 PolarHBondContact N-O 2.7Å; I193-S242 PolarHBondContact O-N 3.41Å; I193-F244 HydrophobicContact CD1-CE2 4.19Å; I193-L258 HydrophobicContact CD1-CD1 4.43Å; I193-L258 HydrophobicContact CD1-CD2 3.94Å; I193-L258 HydrophobicContact CG1-CD1 4.44Å; I193-F298 HydrophobicContact CG2-CD1 3.85Å; I193-F298 HydrophobicContact CG2-CE1 4.28Å; I193-F300 HydrophobicContact CG1-CB 4.43Å
194	D	93.6	Very high	88.8	Confident	68 Å²	68	45.9 Å²	45.9	36%	0.364	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	-55.1	-176.7	-63.3	-28	0	0	0	110.5	I240 D241 V299	D194-I240 PolarHBondContact O-N 3.13Å; D194-D241 PolarHBondContact O-N 3.13Å; D194-D241 VanDerWaalsContact O-N 3.11Å; D194-V299 HydrophobicContact CB-CB 4.38Å; D194-V299 HydrophobicContact CB-CG1 4.09Å; D194-V299 PolarHBondContact N-O 2.99Å
195	K	93.3	Very high	89.9	Confident	65 Å²	65	45 Å²	45	28%	0.283	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	165.2	-174.3	58.1	-178	165.2	-171.8	0	112.8	V237 V238 V299	K195-V237 HydrophobicContact CB-CG1 3.8Å; K195-V237 HydrophobicContact CD-CG1 3.81Å; K195-V237 HydrophobicContact CG-CG1 4.27Å; K195-V238 CarbonylContact C-O 3.53Å; K195-V238 WeakPolarHBondContact CA-O 3.49Å; K195-V238 VanDerWaalsContact CB-O 3.31Å; K195-V238 WeakPolarHBondContact CB-O 3.29Å; K195-V299 HydrophobicContact CD-CG2 4.43Å; K195-V299 HydrophobicContact CG-CB 3.77Å; K195-V299 HydrophobicContact CG-CG2 3.83Å; K195-V299 PolarHBondContact N-O 3.42Å; K195-V299 PolarHBondContact O-N 3.3Å
196	F	92.8	Very high	90.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.6	171.2	179.8	-99.3	0	0	0	110.4	L201 V237 V238 I240 M260 G297 F298	F196-L201 HydrophobicContact CD1-CD1 4.17Å; F196-L201 HydrophobicContact CD1-CD2 4.09Å; F196-L201 HydrophobicContact CE1-CD2 4.15Å; F196-V237 CarbonylContact O-C 3.54Å; F196-V237 WeakPolarHBondContact O-CA 3.42Å; F196-V238 PolarHBondContact N-O 2.96Å; F196-V238 PolarHBondContact O-N 3.1Å; F196-I240 HydrophobicContact CB-CD1 3.98Å; F196-M260 HydrophobicContact CB-CE 3.21Å; F196-M260 HydrophobicContact CD1-CE 3.55Å; F196-M260 HydrophobicContact CD1-CG 4.29Å; F196-M260 HydrophobicContact CD2-CE 3.96Å; F196-M260 HydrophobicContact CE1-CB 4.31Å; F196-M260 HydrophobicContact CE1-CE 4.34Å; F196-M260 HydrophobicContact CE1-CG 4.25Å; F196-M260 HydrophobicContact CE2-CB 4.46Å; F196-M260 HydrophobicContact CG-CE 3.32Å; F196-M260 HydrophobicContact CZ-CB 4.25Å; F196-G297 WeakPolarHBondContact CA-O 3.27Å; F196-G297 VanDerWaalsContact CD2-C 3.49Å; F196-G297 WeakPolarHBondContact CD2-O 3.34Å; F196-F298 HydrophobicContact CB-CD1 4.28Å; F196-F298 HydrophobicContact CB-CE1 4.3Å; F196-F298 AromaticContact CD2-CD1 3.83Å; F196-F298 HydrophobicContact CD2-CD1 3.83Å; F196-F298 AromaticContact CD2-CD2 3.63Å; F196-F298 HydrophobicContact CD2-CD2 3.63Å; F196-F298 AromaticContact CD2-CE1 3.83Å; F196-F298 HydrophobicContact CD2-CE1 3.83Å; F196-F298 AromaticContact CD2-CE2 3.63Å; F196-F298 HydrophobicContact CD2-CE2 3.63Å; F196-F298 AromaticContact CD2-CG 3.73Å; F196-F298 HydrophobicContact CD2-CG 3.73Å; F196-F298 AromaticContact CD2-CZ 3.73Å; F196-F298 HydrophobicContact CD2-CZ 3.73Å; F196-F298 AromaticContact CE2-CD2 3.81Å; F196-F298 HydrophobicContact CE2-CD2 3.81Å; F196-F298 AromaticContact CE2-CE2 3.63Å; F196-F298 HydrophobicContact CE2-CE2 3.63Å; F196-F298 HydrophobicContact CE2-CG 4.37Å; F196-F298 HydrophobicContact CE2-CZ 4.06Å; F196-F298 HydrophobicContact CG-CE1 4.4Å
197	R	91	Very high	91.1	Very high	26 Å²	26	44.8 Å²	44.8	10%	0.098	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130	179.4	-52.5	-168.3	179.2	97.5	-17.4	110.5	M235 P236 V237 Q292 A293 T296 G297	R197-M235 HydrophobicContact CB-CB 4.41Å; R197-M235 HydrophobicContact CB-CE 4.34Å; R197-P236 WeakPolarHBondContact CA-O 3.27Å; R197-V237 HydrophobicContact CG-CG1 4.4Å; R197-V237 HydrophobicContact CG-CG2 3.94Å; R197-Q292 PolarHBondContact NH1-O 3.47Å; R197-Q292 VanDerWaalsContact NH1-O 3.13Å; R197-A293 PolarHBondContact NE-O 2.98Å; R197-A293 PolarHBondContact NH1-O 3.43Å; R197-A293 PolarHBondContact NH2-O 3.43Å; R197-T296 WeakPolarHBondContact O-CG2 3.38Å; R197-G297 PolarHBondContact N-O 3.48Å; R197-G297 PolarHBondContact O-N 2.89Å
198	S	90.4	Very high	91.6	Very high	4 Å²	4	45 Å²	45	3%	0.028	23%	0.229	C	C	.	.			trans	-166.6	143.3	172.4	-178.6	0	0	0	0	112.2	L200 L201 P236	S198-L200 PolarHBondContact O-N 3.32Å; S198-L200 PolarHBondContact OG-N 3.21Å; S198-L201 WeakPolarHBondContact O-CG 3.41Å; S198-L201 PolarHBondContact O-N 3.41Å; S198-P236 PolarHBondContact N-O 3.09Å; S198-P236 VanDerWaalsContact N-O 3.16Å
199	E	88.4	Confident	91.8	Very high	160 Å²	160	44.9 Å²	44.9	75%	0.748	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.3	169.9	-61.1	-179.4	171.5	0	0	113.4	L201 M235	E199-L201 PolarHBondContact O-N 2.65Å; E199-M235 HydrophobicContact CG-CG 4.33Å
200	L	89.3	Confident	92.1	Very high	108 Å²	108	46.7 Å²	46.7	57%	0.565	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-5.6	179.6	-60.9	175.8	0	0	0	113.5	S198	S198-L200 PolarHBondContact O-N 3.32Å; S198-L200 PolarHBondContact OG-N 3.21Å
201	L	89.9	Confident	92.1	Very high	13 Å²	13	46.3 Å²	46.3	7%	0.068	24%	0.235	C	C	.	.			trans	-78	129.5	-179.2	-57.9	169.2	0	0	0	110.3	F196 S198 E199 Y207 P226 P236 V238	F196-L201 HydrophobicContact CD1-CD1 4.17Å; F196-L201 HydrophobicContact CD1-CD2 4.09Å; F196-L201 HydrophobicContact CE1-CD2 4.15Å; S198-L201 WeakPolarHBondContact O-CG 3.41Å; S198-L201 PolarHBondContact O-N 3.41Å; E199-L201 PolarHBondContact O-N 2.65Å; L201-Y207 WeakPolarHBondContact CA-OH 3.5Å; L201-Y207 HydrophobicContact CB-CE2 4.38Å; L201-Y207 HydrophobicContact CD2-CD1 3.6Å; L201-Y207 HydrophobicContact CD2-CD2 4.07Å; L201-Y207 HydrophobicContact CD2-CE1 3.42Å; L201-Y207 VanDerWaalsContact CD2-CE1 3.42Å; L201-Y207 HydrophobicContact CD2-CE2 3.93Å; L201-Y207 HydrophobicContact CD2-CG 3.92Å; L201-P226 HydrophobicContact CB-CG 4.18Å; L201-P236 HydrophobicContact CB-CB 3.86Å; L201-P236 HydrophobicContact CD1-CB 4.11Å; L201-P236 WeakPolarHBondContact CD1-O 3.37Å; L201-V238 HydrophobicContact CD1-CG2 3.93Å; L201-V238 HydrophobicContact CD2-CG2 4.04Å
202	K	89.8	Confident	92.1	Very high	130 Å²	130	46.4 Å²	46.4	57%	0.565	24%	0.235	S	C	*	.			trans	-109.9	137.1	179.8	-54.4	-175.5	176.8	-174.5	0	109.9	D204 M205 Y207 P226	K202-D204 WeakPolarHBondContact CB-OD1 3.46Å; K202-D204 PolarHBondContact O-N 3.4Å; K202-M205 HydrophobicContact CB-CB 4.44Å; K202-M205 HydrophobicContact CB-CG 4.02Å; K202-M205 HydrophobicContact CD-CG 4.48Å; K202-M205 PolarHBondContact O-N 2.91Å; K202-Y207 PolarHBondContact N-OH 2.84Å; K202-P226 WeakPolarHBondContact O-CG 3.41Å
203	S	87.3	Confident	91.8	Very high	114 Å²	114	45.2 Å²	45.2	80%	0.797	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.7	-176	54.4	0	0	0	0	114.5	M205	S203-M205 VanDerWaalsContact C-N 3.34Å
204	D	88.7	Confident	91.3	Very high	114 Å²	114	48.2 Å²	48.2	61%	0.61	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	2.2	179.6	66.3	-38.8	0	0	0	113.6	K202	K202-D204 WeakPolarHBondContact CB-OD1 3.46Å; K202-D204 PolarHBondContact O-N 3.4Å
205	M	91.4	Very high	90.8	Very high	37 Å²	37	47.8 Å²	47.8	18%	0.182	26%	0.258	C	S	.	.	S	Bend	trans	-115.2	158.9	-175.4	-64.9	-72.3	-71.6	0	0	111.5	K202 S203 Y207 P226 H263	K202-M205 HydrophobicContact CB-CB 4.44Å; K202-M205 HydrophobicContact CB-CG 4.02Å; K202-M205 HydrophobicContact CD-CG 4.48Å; K202-M205 PolarHBondContact O-N 2.91Å; S203-M205 VanDerWaalsContact C-N 3.34Å; M205-Y207 HydrophobicContact CB-CE2 3.69Å; M205-P226 WeakPolarHBondContact O-CD 3.43Å; M205-H263 VanDerWaalsContact CE-C 3.43Å; M205-H263 WeakPolarHBondContact CE-O 3.18Å
206	F	92.9	Very high	90.6	Very high	61 Å²	61	45.1 Å²	45.1	27%	0.268	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	153.3	169.5	-63.2	-93.4	0	0	0	110.4	A223 F224 A225 S262 H263 I266	F206-A223 HydrophobicContact CB-CB 4.04Å; F206-F224 CarbonylContact C-O 3.57Å; F206-F224 WeakPolarHBondContact CA-O 3.38Å; F206-A225 HydrophobicContact CD1-CB 4.21Å; F206-A225 HydrophobicContact CE1-CB 4.14Å; F206-S262 CarbonylContact O-C 3.52Å; F206-S262 WeakPolarHBondContact O-CA 3.47Å; F206-H263 HydrophobicContact CB-CB 4.24Å; F206-H263 PolarHBondContact N-O 2.81Å; F206-H263 PolarHBondContact O-CD2 3.38Å; F206-H263 PolarHBondContact O-N 2.61Å; F206-I266 HydrophobicContact CD1-CD1 4.17Å; F206-I266 HydrophobicContact CD1-CG1 3.77Å; F206-I266 HydrophobicContact CD2-CG1 4.12Å; F206-I266 HydrophobicContact CE1-CD1 3.76Å; F206-I266 HydrophobicContact CE1-CG1 3.79Å; F206-I266 HydrophobicContact CE2-CG1 4.13Å; F206-I266 HydrophobicContact CG-CG1 3.95Å; F206-I266 HydrophobicContact CZ-CD1 4.03Å; F206-I266 HydrophobicContact CZ-CG1 3.97Å
207	Y	94.1	Very high	90.5	Very high	4 Å²	4	48 Å²	48	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	132.7	-171.8	-67.3	-85.3	0	0	0	111.4	L201 K202 M205 A223 F224 P226 V238 M260 N261 C273	L201-Y207 WeakPolarHBondContact CA-OH 3.5Å; L201-Y207 HydrophobicContact CB-CE2 4.38Å; L201-Y207 HydrophobicContact CD2-CD1 3.6Å; L201-Y207 HydrophobicContact CD2-CD2 4.07Å; L201-Y207 HydrophobicContact CD2-CE1 3.42Å; L201-Y207 VanDerWaalsContact CD2-CE1 3.42Å; L201-Y207 HydrophobicContact CD2-CE2 3.93Å; L201-Y207 HydrophobicContact CD2-CG 3.92Å; K202-Y207 PolarHBondContact N-OH 2.84Å; M205-Y207 HydrophobicContact CB-CE2 3.69Å; Y207-A223 CarbonylContact O-C 3.54Å; Y207-A223 VanDerWaalsContact O-CA 3.3Å; Y207-A223 WeakPolarHBondContact O-CA 3.46Å; Y207-F224 PolarHBondContact N-O 3.17Å; Y207-F224 PolarHBondContact O-N 3.15Å; Y207-P226 HydrophobicContact CD2-CG 3.85Å; Y207-P226 HydrophobicContact CE2-CG 3.59Å; Y207-V238 HydrophobicContact CD2-CG2 3.71Å; Y207-V238 HydrophobicContact CG-CG2 3.93Å; Y207-M260 HydrophobicContact CD1-CG 4Å; Y207-M260 HydrophobicContact CD1-SD 4.36Å; Y207-N261 CarbonylContact C-O 3.54Å; Y207-N261 VanDerWaalsContact CA-O 3.24Å; Y207-N261 WeakPolarHBondContact CA-O 3.34Å; Y207-C273 HydrophobicContact CE1-CB 4.46Å
208	S	94.8	Very high	90.5	Very high	5 Å²	5	46.9 Å²	46.9	4%	0.035	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	140.5	172.6	65.8	0	0	0	0	111.1	S221 M260 N261 H263	S208-S221 WeakPolarHBondContact CA-OG 3.24Å; S208-M260 VanDerWaalsContact C-SD 3.51Å; S208-N261 PolarHBondContact N-O 2.87Å; S208-N261 PolarHBondContact O-N 3.29Å; S208-H263 PolarHBondContact OG-NE2 2.87Å
209	A	95.4	Very high	90.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	137.8	171.2	0	0	0	0	0	110.1	I193 V220 S221 I240 S259 F298	I193-A209 HydrophobicContact CD1-CB 3.81Å; A209-V220 CarbonylContact O-C 3.58Å; A209-V220 WeakPolarHBondContact O-CA 3.27Å; A209-S221 PolarHBondContact N-OG 2.59Å; A209-S221 PolarHBondContact O-N 3.23Å; A209-I240 HydrophobicContact CB-CD1 3.96Å; A209-I240 HydrophobicContact CB-CG2 4.3Å; A209-S259 WeakPolarHBondContact CA-O 3.47Å; A209-F298 HydrophobicContact CB-CE1 3.98Å
210	Q	95.2	Very high	90.9	Very high	38 Å²	38	40 Å²	40	18%	0.178	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.6	171.9	171	177.3	-33.8	0	0	109.1	S212 K217 L258 S259 N261	Q210-S212 PolarHBondContact NE2-OG 3.43Å; Q210-K217 HydrophobicContact CG-CD 4.12Å; Q210-K217 HydrophobicContact CG-CG 3.89Å; Q210-L258 WeakPolarHBondContact O-CA 3.42Å; Q210-S259 PolarHBondContact N-O 3.13Å; Q210-S259 PolarHBondContact O-N 2.8Å; Q210-N261 PolarHBondContact OE1-ND2 3.37Å
211	V	94.2	Very high	91.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	131.4	171.2	-169.8	0	0	0	0	108.7	I191 I193 I218 G219 F244 I256 L258	I191-V211 HydrophobicContact CD1-CG1 3.37Å; I193-V211 HydrophobicContact CD1-CG2 3.93Å; V211-I218 HydrophobicContact CB-CD1 4.16Å; V211-I218 HydrophobicContact CB-CG1 4.12Å; V211-I218 HydrophobicContact CG1-CD1 3.45Å; V211-I218 VanDerWaalsContact CG1-CD1 3.45Å; V211-I218 HydrophobicContact CG1-CG1 3.84Å; V211-I218 WeakPolarHBondContact O-CG1 3.45Å; V211-I218 PolarHBondContact O-N 2.97Å; V211-G219 PolarHBondContact N-O 3.08Å; V211-G219 PolarHBondContact O-N 3.46Å; V211-F244 HydrophobicContact CG2-CD2 3.81Å; V211-F244 HydrophobicContact CG2-CE2 3.75Å; V211-F244 HydrophobicContact CG2-CZ 4.44Å; V211-I256 HydrophobicContact CG1-CG2 4.21Å; V211-L258 HydrophobicContact CB-CD2 4.2Å; V211-L258 HydrophobicContact CG1-CD2 4.01Å; V211-L258 HydrophobicContact CG2-CD2 3.77Å
212	S	92.3	Very high	91.2	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.007	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144.9	174.8	-41.9	0	0	0	0	111.1	Q210 V216 I256 Q257	Q210-S212 PolarHBondContact NE2-OG 3.43Å; S212-V216 CarbonylContact C-O 3.55Å; S212-V216 WeakPolarHBondContact CA-O 3.37Å; S212-V216 VanDerWaalsContact CB-O 3.27Å; S212-V216 WeakPolarHBondContact CB-O 3.39Å; S212-I256 CarbonylContact O-C 3.56Å; S212-I256 WeakPolarHBondContact O-CA 3.47Å; S212-Q257 PolarHBondContact N-O 3.41Å; S212-Q257 PolarHBondContact O-N 3.47Å
213	L	87.7	Confident	91.2	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.5	171.2	-60.6	178.3	0	0	0	109	F115 L189 G215 V216 I218 I249 T254 N255 I256	F115-L213 HydrophobicContact CD1-CB 4.19Å; F115-L213 HydrophobicContact CE1-CB 3.85Å; L189-L213 HydrophobicContact CD2-CD1 3.85Å; L189-L213 HydrophobicContact CD2-CD2 3.51Å; L189-L213 HydrophobicContact CD2-CG 4.24Å; L213-G215 PolarHBondContact O-N 3.47Å; L213-G215 VanDerWaalsContact O-N 3.11Å; L213-V216 PolarHBondContact N-O 3.31Å; L213-V216 WeakPolarHBondContact O-CA 3.07Å; L213-V216 WeakPolarHBondContact O-CB 3.44Å; L213-V216 PolarHBondContact O-N 3.49Å; L213-I218 HydrophobicContact CB-CG2 4.32Å; L213-I218 HydrophobicContact CD1-CD1 3.66Å; L213-I218 HydrophobicContact CD1-CG1 4.38Å; L213-I218 HydrophobicContact CD1-CG2 4.18Å; L213-I218 HydrophobicContact CD2-CD1 3.92Å; L213-I218 HydrophobicContact CG-CD1 3.39Å; L213-I218 HydrophobicContact CG-CG1 3.89Å; L213-I218 HydrophobicContact CG-CG2 4.14Å; L213-I249 HydrophobicContact CD1-CB 4.16Å; L213-I249 HydrophobicContact CD1-CG2 3.65Å; L213-T254 HydrophobicContact CB-CG2 3.82Å; L213-T254 HydrophobicContact CD1-CG2 4.35Å; L213-T254 HydrophobicContact CD2-CG2 3.77Å; L213-T254 HydrophobicContact CG-CG2 4.15Å; L213-N255 CarbonylContact C-O 3.5Å; L213-N255 WeakPolarHBondContact CA-O 3.45Å; L213-I256 HydrophobicContact CD2-CB 4.3Å; L213-I256 HydrophobicContact CD2-CG1 3.76Å; L213-I256 HydrophobicContact CD2-CG2 4.44Å
214	N	84.4	Confident	91.4	Very high	63 Å²	63	33.5 Å²	33.5	34%	0.337	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	38.1	-178.7	-61.6	-22.4	0	0	0	112.4	F115 V216 N255	F115-N214 HydrophobicContact CZ-CB 4.32Å; N214-V216 VanDerWaalsContact C-N 3.27Å; N214-V216 PolarHBondContact O-N 3.28Å; N214-N255 PolarHBondContact N-O 3.13Å; N214-N255 PolarHBondContact OD1-N 2.89Å
215	G	84.6	Confident	91.5	Very high	60 Å²	60	30.4 Å²	30.4	62%	0.619	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.8	-3.7	-177.6	0	0	0	0	0	115.5	L213	L213-G215 PolarHBondContact O-N 3.47Å; L213-G215 VanDerWaalsContact O-N 3.11Å
216	V	87.3	Confident	91.5	Very high	9 Å²	9	29.7 Å²	29.7	6%	0.055	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	121.7	175.5	-175.9	0	0	0	0	109.6	F115 L117 F129 S212 L213 N214 I218	F115-V216 HydrophobicContact CB-CG1 4.33Å; F115-V216 HydrophobicContact CD1-CB 4.39Å; F115-V216 HydrophobicContact CD2-CB 4.47Å; F115-V216 HydrophobicContact CD2-CG1 4.4Å; F115-V216 HydrophobicContact CD2-CG2 4.08Å; F115-V216 HydrophobicContact CE1-CB 4.49Å; F115-V216 HydrophobicContact CE1-CG2 4.45Å; F115-V216 HydrophobicContact CE2-CG2 3.85Å; F115-V216 HydrophobicContact CG-CB 4.37Å; F115-V216 HydrophobicContact CG-CG1 4.2Å; F115-V216 HydrophobicContact CG-CG2 4.46Å; F115-V216 HydrophobicContact CZ-CG2 4.05Å; L117-V216 HydrophobicContact CD2-CG1 4.28Å; F129-V216 HydrophobicContact CB-CG1 4.16Å; F129-V216 HydrophobicContact CD1-CB 4.17Å; F129-V216 HydrophobicContact CD1-CG1 3.4Å; F129-V216 HydrophobicContact CD1-CG2 3.65Å; F129-V216 HydrophobicContact CE1-CB 4.25Å; F129-V216 HydrophobicContact CE1-CG1 3.85Å; F129-V216 HydrophobicContact CE1-CG2 3.36Å; F129-V216 HydrophobicContact CG-CG1 3.87Å; F129-V216 HydrophobicContact CZ-CG2 4.32Å; S212-V216 CarbonylContact C-O 3.55Å; S212-V216 WeakPolarHBondContact CA-O 3.37Å; S212-V216 VanDerWaalsContact CB-O 3.27Å; S212-V216 WeakPolarHBondContact CB-O 3.39Å; L213-V216 PolarHBondContact N-O 3.31Å; L213-V216 WeakPolarHBondContact O-CA 3.07Å; L213-V216 WeakPolarHBondContact O-CB 3.44Å; L213-V216 PolarHBondContact O-N 3.49Å; N214-V216 VanDerWaalsContact C-N 3.27Å; N214-V216 PolarHBondContact O-N 3.28Å; V216-I218 PolarHBondContact O-N 3.33Å
217	K	90.4	Very high	91.1	Very high	61 Å²	61	29 Å²	29	27%	0.265	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	117.6	175.9	-178.8	175.8	-177.8	-179.7	0	110.5	L117 V121 Q210 V220	L117-K217 WeakPolarHBondContact CD2-O 3.35Å; V121-K217 HydrophobicContact CG1-CD 4.25Å; V121-K217 HydrophobicContact CG1-CG 4.2Å; V121-K217 HydrophobicContact CG2-CG 4.39Å; Q210-K217 HydrophobicContact CG-CD 4.12Å; Q210-K217 HydrophobicContact CG-CG 3.89Å; K217-V220 HydrophobicContact CD-CG2 4.37Å; K217-V220 VanDerWaalsContact NZ-CG2 3.29Å
218	I	91.8	Very high	90.1	Very high	1 Å²	1	32 Å²	32	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-18.1	-175.3	51.3	144.3	0	0	0	113.9	F115 L117 D118 V121 L189 V211 L213 V216 I246	F115-I218 HydrophobicContact CD1-CG2 4.39Å; L117-I218 HydrophobicContact CD2-CG2 4.21Å; D118-I218 WeakPolarHBondContact CB-O 3.23Å; D118-I218 PolarHBondContact N-O 3.18Å; V121-I218 WeakPolarHBondContact CG2-O 3.2Å; L189-I218 HydrophobicContact CD2-CD1 4.41Å; V211-I218 HydrophobicContact CB-CD1 4.16Å; V211-I218 HydrophobicContact CB-CG1 4.12Å; V211-I218 HydrophobicContact CG1-CD1 3.45Å; V211-I218 VanDerWaalsContact CG1-CD1 3.45Å; V211-I218 HydrophobicContact CG1-CG1 3.84Å; V211-I218 WeakPolarHBondContact O-CG1 3.45Å; V211-I218 PolarHBondContact O-N 2.97Å; L213-I218 HydrophobicContact CB-CG2 4.32Å; L213-I218 HydrophobicContact CD1-CD1 3.66Å; L213-I218 HydrophobicContact CD1-CG1 4.38Å; L213-I218 HydrophobicContact CD1-CG2 4.18Å; L213-I218 HydrophobicContact CD2-CD1 3.92Å; L213-I218 HydrophobicContact CG-CD1 3.39Å; L213-I218 HydrophobicContact CG-CG1 3.89Å; L213-I218 HydrophobicContact CG-CG2 4.14Å; V216-I218 PolarHBondContact O-N 3.33Å; I218-I246 HydrophobicContact CB-CD1 4.02Å; I218-I246 HydrophobicContact CD1-CD1 3.13Å; I218-I246 HydrophobicContact CG1-CD1 3.99Å
219	G	93.7	Very high	88.7	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	157.6	178.5	0	0	0	0	0	113.2	V211	V211-G219 PolarHBondContact N-O 3.08Å; V211-G219 PolarHBondContact O-N 3.46Å
220	V	94	Very high	87.2	Confident	21 Å²	21	45.2 Å²	45.2	13%	0.127	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	133.8	-179.6	-158.9	0	0	0	0	110	S120 A209 K217 F244	S120-V220 WeakPolarHBondContact CB-O 3.48Å; S120-V220 PolarHBondContact OG-N 2.8Å; S120-V220 PolarHBondContact OG-O 3.18Å; A209-V220 CarbonylContact O-C 3.58Å; A209-V220 WeakPolarHBondContact O-CA 3.27Å; K217-V220 HydrophobicContact CD-CG2 4.37Å; K217-V220 VanDerWaalsContact NZ-CG2 3.29Å; V220-F244 VanDerWaalsContact C-CZ 3.5Å
221	S	94.1	Very high	85.8	Confident	10 Å²	10	44.7 Å²	44.7	7%	0.07	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-74.2	166.2	170.8	74.6	0	0	0	0	111.3	S208 A209 S242	S208-S221 WeakPolarHBondContact CA-OG 3.24Å; A209-S221 PolarHBondContact N-OG 2.59Å; A209-S221 PolarHBondContact O-N 3.23Å; S221-S242 WeakPolarHBondContact CB-OG 3.37Å
222	N	90.7	Very high	84.4	Confident	126 Å²	126	51.1 Å²	51.1	67%	0.674	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-59.2	164.7	158.7	-70.5	-39.6	0	0	0	110.9	F224	N222-F224 HydrophobicContact CB-CE1 4.33Å; N222-F224 HydrophobicContact CB-CE2 3.86Å; N222-F224 HydrophobicContact CB-CZ 3.7Å; N222-F224 WeakPolarHBondContact O-CD2 3.38Å; N222-F224 WeakPolarHBondContact O-CE2 3.28Å
223	A	90.8	Very high	83.3	Confident	28 Å²	28	58.7 Å²	58.7	23%	0.231	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-93	125.8	177	0	0	0	0	0	110.5	F206 Y207	F206-A223 HydrophobicContact CB-CB 4.04Å; Y207-A223 CarbonylContact O-C 3.54Å; Y207-A223 VanDerWaalsContact O-CA 3.3Å; Y207-A223 WeakPolarHBondContact O-CA 3.46Å
224	F	91.6	Very high	82.8	Confident	64 Å²	64	63.9 Å²	63.9	28%	0.281	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-121.6	143.5	-175.4	-57.4	-82.6	0	0	0	111	F206 Y207 N222 V238 I240	F206-F224 CarbonylContact C-O 3.57Å; F206-F224 WeakPolarHBondContact CA-O 3.38Å; Y207-F224 PolarHBondContact N-O 3.17Å; Y207-F224 PolarHBondContact O-N 3.15Å; N222-F224 HydrophobicContact CB-CE1 4.33Å; N222-F224 HydrophobicContact CB-CE2 3.86Å; N222-F224 HydrophobicContact CB-CZ 3.7Å; N222-F224 WeakPolarHBondContact O-CD2 3.38Å; N222-F224 WeakPolarHBondContact O-CE2 3.28Å; F224-V238 HydrophobicContact CB-CG1 3.7Å; F224-I240 HydrophobicContact CE2-CG2 4.16Å; F224-I240 WeakPolarHBondContact CE2-O 3.36Å; F224-I240 VanDerWaalsContact CZ-O 3.25Å; F224-I240 WeakPolarHBondContact CZ-O 3.12Å
225	A	91.2	Very high	82.7	Confident	48 Å²	48	62.7 Å²	62.7	40%	0.397	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-76.3	153	170.1	0	0	0	0	0	110	F206	F206-A225 HydrophobicContact CD1-CB 4.21Å; F206-A225 HydrophobicContact CE1-CB 4.14Å
226	P	90.6	Very high	82.8	Confident	22 Å²	22	60.8 Å²	60.8	14%	0.143	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-59.8	140.4	170.3	-21.2	33.3	0	0	0	111.1	L201 K202 M205 Y207 V237 V238	L201-P226 HydrophobicContact CB-CG 4.18Å; K202-P226 WeakPolarHBondContact O-CG 3.41Å; M205-P226 WeakPolarHBondContact O-CD 3.43Å; Y207-P226 HydrophobicContact CD2-CG 3.85Å; Y207-P226 HydrophobicContact CE2-CG 3.59Å; P226-V237 CarbonylContact C-O 3.51Å; P226-V237 WeakPolarHBondContact CA-O 3.32Å; P226-V238 HydrophobicContact CB-CG2 4.1Å; P226-V238 HydrophobicContact CG-CG2 3.94Å
227	A	84.9	Confident	83	Confident	47 Å²	47	61.7 Å²	61.7	39%	0.388	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-62.5	142.1	164.8	0	0	0	0	0	109.1	N229 V237	A227-N229 PolarHBondContact O-N 3.16Å; A227-V237 PolarHBondContact N-O 3.08Å
228	G	71.8	Confident	83.1	Confident	66 Å²	66	58.8 Å²	58.8	68%	0.68	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-58.3	137.5	176	0	0	0	0	0	111.3	K230	G228-K230 PolarHBondContact O-N 2.85Å
229	N	65.9	Low	83.2	Confident	100 Å²	100	62.7 Å²	62.7	54%	0.535	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-57.6	121.9	176.8	-78.9	-1	0	0	0	109.8	A227 G231 P236	A227-N229 PolarHBondContact O-N 3.16Å; N229-G231 VanDerWaalsContact C-N 3.34Å; N229-P236 VanDerWaalsContact OD1-CA 3.28Å; N229-P236 WeakPolarHBondContact OD1-CA 3.49Å; N229-P236 WeakPolarHBondContact OD1-CG 3.43Å
230	K	64.1	Low	83.1	Confident	184 Å²	184	62.8 Å²	62.8	80%	0.8	37%	0.373	S	S	*	.			trans	-87.2	-1.4	179.9	-59.4	-176.6	175.1	-177.9	0	113.5	G228 E234	G228-K230 PolarHBondContact O-N 2.85Å; K230-E234 WeakPolarHBondContact CB-OE2 3.23Å
231	G	66.8	Low	83	Confident	26 Å²	26	66.7 Å²	66.7	27%	0.268	39%	0.394	S	S	.	.	S	Bend	trans	-173.5	169.7	174.5	0	0	0	0	0	113.8	N229 N233 E234	N229-G231 VanDerWaalsContact C-N 3.34Å; G231-N233 PolarHBondContact O-N 3.48Å; G231-E234 PolarHBondContact O-N 3.09Å
232	P	63.7	Low	83	Confident	135 Å²	135	66.9 Å²	66.9	88%	0.877	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-17	-177.6	26.5	-33.8	0	0	0	114.5
233	N	69.2	Low	83.2	Confident	161 Å²	161	64.9 Å²	64.9	86%	0.861	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	5	-178.2	-66.2	-8.3	0	0	0	113.3	G231	G231-N233 PolarHBondContact O-N 3.48Å
234	E	76.6	Confident	83.4	Confident	109 Å²	109	64 Å²	64	51%	0.509	37%	0.371	S	S	.	.	S	Bend	trans	-97.5	127.7	178.2	-71.8	-170.4	176.8	0	0	110.7	K230 G231	K230-E234 WeakPolarHBondContact CB-OE2 3.23Å; G231-E234 PolarHBondContact O-N 3.09Å
235	M	82.4	Confident	83.5	Confident	39 Å²	39	62.1 Å²	62.1	19%	0.192	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-62	141.8	171	-74.2	-177.5	-78.5	0	0	110.3	R197 E199 V237 D294 T296	R197-M235 HydrophobicContact CB-CB 4.41Å; R197-M235 HydrophobicContact CB-CE 4.34Å; E199-M235 HydrophobicContact CG-CG 4.33Å; M235-V237 VanDerWaalsContact O-CG2 3.23Å; M235-V237 WeakPolarHBondContact O-CG2 3.36Å; M235-V237 PolarHBondContact O-N 2.93Å; M235-D294 WeakPolarHBondContact CE-O 3.43Å; M235-T296 PolarHBondContact SD-OG1 3.25Å
236	P	88.4	Confident	83.4	Confident	20 Å²	20	59.9 Å²	59.9	13%	0.13	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-51.3	142	168.1	-25.8	33.7	0	0	0	111.6	R197 S198 L201 N229	R197-P236 WeakPolarHBondContact CA-O 3.27Å; S198-P236 PolarHBondContact N-O 3.09Å; S198-P236 VanDerWaalsContact N-O 3.16Å; L201-P236 HydrophobicContact CB-CB 3.86Å; L201-P236 HydrophobicContact CD1-CB 4.11Å; L201-P236 WeakPolarHBondContact CD1-O 3.37Å; N229-P236 VanDerWaalsContact OD1-CA 3.28Å; N229-P236 WeakPolarHBondContact OD1-CA 3.49Å; N229-P236 WeakPolarHBondContact OD1-CG 3.43Å
237	V	90.9	Very high	83.3	Confident	27 Å²	27	59 Å²	59	16%	0.164	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.6	-175.7	-175.6	0	0	0	0	110.1	K195 F196 R197 P226 A227 M235	K195-V237 HydrophobicContact CB-CG1 3.8Å; K195-V237 HydrophobicContact CD-CG1 3.81Å; K195-V237 HydrophobicContact CG-CG1 4.27Å; F196-V237 CarbonylContact O-C 3.54Å; F196-V237 WeakPolarHBondContact O-CA 3.42Å; R197-V237 HydrophobicContact CG-CG1 4.4Å; R197-V237 HydrophobicContact CG-CG2 3.94Å; P226-V237 CarbonylContact C-O 3.51Å; P226-V237 WeakPolarHBondContact CA-O 3.32Å; A227-V237 PolarHBondContact N-O 3.08Å; M235-V237 VanDerWaalsContact O-CG2 3.23Å; M235-V237 WeakPolarHBondContact O-CG2 3.36Å; M235-V237 PolarHBondContact O-N 2.93Å
238	V	92.8	Very high	83.1	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	119.5	163.6	177.3	0	0	0	0	107.8	K195 F196 L201 Y207 F224 P226 I240	K195-V238 CarbonylContact C-O 3.53Å; K195-V238 WeakPolarHBondContact CA-O 3.49Å; K195-V238 VanDerWaalsContact CB-O 3.31Å; K195-V238 WeakPolarHBondContact CB-O 3.29Å; F196-V238 PolarHBondContact N-O 2.96Å; F196-V238 PolarHBondContact O-N 3.1Å; L201-V238 HydrophobicContact CD1-CG2 3.93Å; L201-V238 HydrophobicContact CD2-CG2 4.04Å; Y207-V238 HydrophobicContact CD2-CG2 3.71Å; Y207-V238 HydrophobicContact CG-CG2 3.93Å; F224-V238 HydrophobicContact CB-CG1 3.7Å; P226-V238 HydrophobicContact CB-CG2 4.1Å; P226-V238 HydrophobicContact CG-CG2 3.94Å; V238-I240 HydrophobicContact CG1-CG1 3.99Å
239	V	93.4	Very high	83.5	Confident	84 Å²	84	54.3 Å²	54.3	51%	0.509	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	117	171.3	-178.1	0	0	0	0	107.5
240	I	92.4	Very high	83.9	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-40	-173.4	-65.7	159.4	0	0	0	110.8	I193 D194 F196 A209 F224 V238 S242 M260 F298	I193-I240 HydrophobicContact CB-CG2 4.25Å; I193-I240 HydrophobicContact CG2-CB 4.22Å; I193-I240 HydrophobicContact CG2-CD1 3.71Å; I193-I240 HydrophobicContact CG2-CG2 4.13Å; D194-I240 PolarHBondContact O-N 3.13Å; F196-I240 HydrophobicContact CB-CD1 3.98Å; A209-I240 HydrophobicContact CB-CD1 3.96Å; A209-I240 HydrophobicContact CB-CG2 4.3Å; F224-I240 HydrophobicContact CE2-CG2 4.16Å; F224-I240 WeakPolarHBondContact CE2-O 3.36Å; F224-I240 VanDerWaalsContact CZ-O 3.25Å; F224-I240 WeakPolarHBondContact CZ-O 3.12Å; V238-I240 HydrophobicContact CG1-CG1 3.99Å; I240-S242 VanDerWaalsContact CG2-OG 3.32Å; I240-S242 WeakPolarHBondContact CG2-OG 3.22Å; I240-S242 PolarHBondContact O-N 3.45Å; I240-S242 PolarHBondContact O-OG 3.37Å; I240-M260 HydrophobicContact CD1-CE 3.65Å; I240-F298 HydrophobicContact CD1-CE1 4.28Å
241	D	91.9	Very high	84.1	Confident	103 Å²	103	41.6 Å²	41.6	55%	0.551	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	34.3	53.5	-176.6	-169.3	24.2	0	0	0	113.1	I193 D194 K243	I193-D241 VanDerWaalsContact O-CA 3.3Å; I193-D241 WeakPolarHBondContact O-CA 3.43Å; I193-D241 PolarHBondContact O-N 2.86Å; I193-D241 VanDerWaalsContact O-N 3.1Å; D194-D241 PolarHBondContact O-N 3.13Å; D194-D241 VanDerWaalsContact O-N 3.11Å; D241-K243 WeakPolarHBondContact OD1-CE 3.41Å; D241-K243 IonicContact OD1-NZ 3.71Å
242	S	93.9	Very high	84.1	Confident	15 Å²	15	40.5 Å²	40.5	11%	0.105	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.5	-176.8	-64.2	0	0	0	0	110.6	I193 S221 I240	I193-S242 PolarHBondContact N-O 2.7Å; I193-S242 PolarHBondContact O-N 3.41Å; S221-S242 WeakPolarHBondContact CB-OG 3.37Å; I240-S242 VanDerWaalsContact CG2-OG 3.32Å; I240-S242 WeakPolarHBondContact CG2-OG 3.22Å; I240-S242 PolarHBondContact O-N 3.45Å; I240-S242 PolarHBondContact O-OG 3.37Å
243	K	94.6	Very high	84.4	Confident	83 Å²	83	36.7 Å²	36.7	36%	0.361	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	129.4	-172.2	-55.1	-178.1	-177	163.3	0	109.5	I191 E192 D241 H340	I191-K243 CarbonylContact O-C 3.57Å; I191-K243 VanDerWaalsContact O-CA 3.25Å; I191-K243 WeakPolarHBondContact O-CA 3.37Å; E192-K243 HydrophobicContact CB-CG 4.21Å; E192-K243 HydrophobicContact CG-CB 4.45Å; E192-K243 HydrophobicContact CG-CD 4.06Å; E192-K243 HydrophobicContact CG-CG 3.97Å; E192-K243 WeakPolarHBondContact OE2-CE 3.43Å; E192-K243 IonicContact OE2-NZ 3.86Å; D241-K243 WeakPolarHBondContact OD1-CE 3.41Å; D241-K243 IonicContact OD1-NZ 3.71Å; K243-H340 HydrophobicContact CB-CB 3.71Å; K243-H340 HydrophobicContact CD-CB 4.26Å; K243-H340 WeakPolarHBondContact CD-ND1 3.47Å
244	F	93.6	Very high	84.7	Confident	10 Å²	10	29 Å²	29	4%	0.044	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.1	-178.7	-56	-83.9	0	0	0	109.1	S190 I191 I193 V211 V220 I246	S190-F244 CarbonylContact C-O 3.47Å; S190-F244 WeakPolarHBondContact CA-O 3.44Å; I191-F244 PolarHBondContact N-O 3.19Å; I191-F244 PolarHBondContact O-N 2.69Å; I193-F244 HydrophobicContact CD1-CE2 4.19Å; V211-F244 HydrophobicContact CG2-CD2 3.81Å; V211-F244 HydrophobicContact CG2-CE2 3.75Å; V211-F244 HydrophobicContact CG2-CZ 4.44Å; V220-F244 VanDerWaalsContact C-CZ 3.5Å; F244-I246 HydrophobicContact CB-CD1 4.25Å; F244-I246 HydrophobicContact CB-CG1 4.35Å
245	V	93.6	Very high	85.2	Confident	24 Å²	24	27 Å²	27	15%	0.145	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	106.9	170.2	-173.7	0	0	0	0	107.8	I188 L189 P247 H340 L341 F344	I188-V245 HydrophobicContact CG2-CG1 3.54Å; L189-V245 CarbonylContact O-C 3.56Å; L189-V245 WeakPolarHBondContact O-CA 3.44Å; V245-P247 WeakPolarHBondContact O-CD 3.34Å; V245-H340 HydrophobicContact CG2-CB 4.3Å; V245-L341 HydrophobicContact CG2-CD2 4.03Å; V245-F344 HydrophobicContact CB-CB 4.17Å; V245-F344 HydrophobicContact CB-CD2 4.13Å; V245-F344 HydrophobicContact CB-CG 4.2Å; V245-F344 HydrophobicContact CG1-CB 3.88Å; V245-F344 HydrophobicContact CG1-CD1 3.9Å; V245-F344 HydrophobicContact CG1-CD2 3.52Å; V245-F344 HydrophobicContact CG1-CE1 4.33Å; V245-F344 HydrophobicContact CG1-CE2 3.99Å; V245-F344 HydrophobicContact CG1-CG 3.47Å; V245-F344 VanDerWaalsContact CG1-CG 3.47Å; V245-F344 HydrophobicContact CG1-CZ 4.37Å; V245-F344 HydrophobicContact CG2-CB 4.33Å
246	I	90.3	Very high	85.5	Confident	2 Å²	2	25.3 Å²	25.3	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	108	-170.8	-58.7	168.5	0	0	0	108	W116 L189 I218 F244 I249	W116-I246 HydrophobicContact CB-CG2 4.4Å; L189-I246 PolarHBondContact N-O 3.24Å; L189-I246 PolarHBondContact O-N 3.02Å; I218-I246 HydrophobicContact CB-CD1 4.02Å; I218-I246 HydrophobicContact CD1-CD1 3.13Å; I218-I246 HydrophobicContact CG1-CD1 3.99Å; F244-I246 HydrophobicContact CB-CD1 4.25Å; F244-I246 HydrophobicContact CB-CG1 4.35Å; I246-I249 HydrophobicContact CB-CG2 4.17Å; I246-I249 HydrophobicContact CG2-CG2 3.67Å
247	P	88	Confident	85.7	Confident	4 Å²	4	27.5 Å²	27.5	3%	0.026	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	162.8	176.6	33.4	-34.8	0	0	0	111	W116 S187 V245 I249 F344 W559	W116-P247 HydrophobicContact CD2-CG 3.84Å; W116-P247 HydrophobicContact CE3-CG 3.65Å; W116-P247 HydrophobicContact CH2-CG 3.88Å; W116-P247 HydrophobicContact CZ2-CG 4.08Å; W116-P247 HydrophobicContact CZ3-CG 3.7Å; S187-P247 CarbonylContact O-C 3.54Å; V245-P247 WeakPolarHBondContact O-CD 3.34Å; P247-I249 VanDerWaalsContact C-N 3.25Å; P247-I249 PolarHBondContact O-N 3.33Å; P247-F344 HydrophobicContact CB-CE2 3.97Å; P247-F344 HydrophobicContact CB-CZ 4.09Å; P247-F344 HydrophobicContact CG-CE2 4.08Å; P247-W559 HydrophobicContact CB-CH2 4.27Å; P247-W559 HydrophobicContact CB-CZ3 4.15Å; P247-W559 HydrophobicContact CG-CH2 4.25Å; P247-W559 HydrophobicContact CG-CZ3 4.41Å
248	C	80.5	Confident	85.9	Confident	9 Å²	9	26.2 Å²	26.2	6%	0.061	15%	0.145	C	C	.	.	S	Bend	trans	57.1	36.3	174	-57.8	0	0	0	0	113.4	R160 S187	R160-C248 PolarHBondContact NH1-SG 3.32Å; S187-C248 PolarHBondContact O-N 3.36Å
249	I	79.6	Confident	86	Confident	4 Å²	4	26.9 Å²	26.9	2%	0.021	15%	0.149	C	C	.	.			trans	-69	156.6	168	63.3	153.3	0	0	0	109.7	S187 L189 L213 I246 P247 R304	S187-I249 PolarHBondContact O-N 2.87Å; L189-I249 HydrophobicContact CB-CD1 3.7Å; L189-I249 HydrophobicContact CB-CG1 4.25Å; L189-I249 HydrophobicContact CB-CG2 4.01Å; L189-I249 HydrophobicContact CD2-CD1 4.29Å; L189-I249 HydrophobicContact CG-CD1 4.43Å; L213-I249 HydrophobicContact CD1-CB 4.16Å; L213-I249 HydrophobicContact CD1-CG2 3.65Å; I246-I249 HydrophobicContact CB-CG2 4.17Å; I246-I249 HydrophobicContact CG2-CG2 3.67Å; P247-I249 VanDerWaalsContact C-N 3.25Å; P247-I249 PolarHBondContact O-N 3.33Å; I249-R304 HydrophobicContact CD1-CG 4.32Å; I249-R304 VanDerWaalsContact CD1-NE 3.32Å
250	P	74.3	Confident	86.1	Confident	5 Å²	5	23 Å²	23	3%	0.032	13%	0.125	C	C	.	.			trans	-51.7	145.9	173.1	-25.8	36	0	0	0	110.2	T113 F115 R304	T113-P250 HydrophobicContact CG2-CB 4.05Å; T113-P250 HydrophobicContact CG2-CG 3.37Å; F115-P250 HydrophobicContact CD1-CG 4.31Å; F115-P250 HydrophobicContact CE1-CG 3.82Å; F115-P250 HydrophobicContact CZ-CG 4.09Å; P250-R304 PolarHBondContact O-NH2 3.32Å
251	T	68.2	Low	86.1	Confident	12 Å²	12	23.6 Å²	23.6	7%	0.074	13%	0.129	C	C	.	.	S	Bend	trans	-78.5	-33.6	178.8	47.8	0	0	0	0	111.3	Y165 S187 R304 R306	Y165-T251 WeakPolarHBondContact CB-OG1 3.5Å; Y165-T251 HydrophobicContact CD1-CG2 3.68Å; Y165-T251 WeakPolarHBondContact CD1-OG1 3.46Å; Y165-T251 HydrophobicContact CE1-CG2 4.01Å; S187-T251 WeakPolarHBondContact OG-CG2 3.43Å; T251-R304 PolarHBondContact O-NH1 3.39Å; T251-R304 VanDerWaalsContact O-NH1 3.14Å; T251-R304 PolarHBondContact O-NH2 3.44Å; T251-R306 PolarHBondContact O-NH2 3.05Å
252	C	67.6	Low	86.2	Confident	4 Å²	4	19.7 Å²	19.7	3%	0.027	11%	0.11	C	C	.	.	S	Bend	trans	-57	169	-177.8	67.4	0	0	0	0	115.2	Q166 T254 R304	Q166-C252 HydrophobicContact CB-CB 3.79Å; Q166-C252 WeakPolarHBondContact O-CB 3.35Å; C252-T254 PolarHBondContact O-N 3Å; C252-T254 PolarHBondContact O-OG1 2.93Å; C252-R304 VanDerWaalsContact O-CZ 3.32Å; C252-R304 PolarHBondContact O-NH1 2.95Å; C252-R304 PolarHBondContact O-NH2 3Å
253	S	70.5	Confident	86.1	Confident	54 Å²	54	19.9 Å²	19.9	38%	0.378	11%	0.109	S	C	.	.			trans	-46.9	117.6	170.3	-175.4	0	0	0	0	110.9	C280 L281	S253-C280 PolarHBondContact OG-SG 2.87Å; S253-L281 WeakPolarHBondContact CA-O 3.49Å
254	T	76.2	Confident	85.8	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126.6	-171.9	-66	0	0	0	0	110.5	L213 C252 I256 L281 R304	L213-T254 HydrophobicContact CB-CG2 3.82Å; L213-T254 HydrophobicContact CD1-CG2 4.35Å; L213-T254 HydrophobicContact CD2-CG2 3.77Å; L213-T254 HydrophobicContact CG-CG2 4.15Å; C252-T254 PolarHBondContact O-N 3Å; C252-T254 PolarHBondContact O-OG1 2.93Å; T254-I256 PolarHBondContact O-N 3.49Å; T254-L281 PolarHBondContact N-O 3.12Å; T254-L281 PolarHBondContact O-N 3.35Å; T254-R304 PolarHBondContact OG1-NH2 3.08Å
255	N	85.8	Confident	85.2	Confident	68 Å²	68	20.9 Å²	20.9	36%	0.364	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	110.8	176.2	-66.8	-56	0	0	0	109.7	L213 N214 T278 I279	L213-N255 CarbonylContact C-O 3.5Å; L213-N255 WeakPolarHBondContact CA-O 3.45Å; N214-N255 PolarHBondContact N-O 3.13Å; N214-N255 PolarHBondContact OD1-N 2.89Å; N255-T278 HydrophobicContact CB-CG2 4.27Å; N255-I279 CarbonylContact C-O 3.55Å; N255-I279 VanDerWaalsContact CA-O 3.32Å; N255-I279 WeakPolarHBondContact CA-O 3.38Å
256	I	89.9	Confident	84.2	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	130.8	164.7	-51.9	167.9	0	0	0	108.3	L189 I191 V211 S212 L213 T254 L258 T278 I279 L281 A302	L189-I256 HydrophobicContact CD1-CD1 4.12Å; L189-I256 HydrophobicContact CD2-CG1 4.45Å; I191-I256 HydrophobicContact CD1-CD1 4.35Å; I191-I256 HydrophobicContact CD1-CG2 4Å; V211-I256 HydrophobicContact CG1-CG2 4.21Å; S212-I256 CarbonylContact O-C 3.56Å; S212-I256 WeakPolarHBondContact O-CA 3.47Å; L213-I256 HydrophobicContact CD2-CB 4.3Å; L213-I256 HydrophobicContact CD2-CG1 3.76Å; L213-I256 HydrophobicContact CD2-CG2 4.44Å; T254-I256 PolarHBondContact O-N 3.49Å; I256-L258 HydrophobicContact CG2-CD2 4.26Å; I256-T278 CarbonylContact O-C 3.6Å; I256-T278 WeakPolarHBondContact O-CA 3.35Å; I256-I279 PolarHBondContact N-O 2.85Å; I256-I279 PolarHBondContact O-N 3.47Å; I256-L281 HydrophobicContact CD1-CD1 3.21Å; I256-L281 HydrophobicContact CD1-CD2 4.05Å; I256-L281 HydrophobicContact CD1-CG 3.51Å; I256-L281 HydrophobicContact CG1-CD1 3.64Å; I256-L281 HydrophobicContact CG1-CG 3.95Å; I256-A302 HydrophobicContact CD1-CB 3.58Å
257	Q	92.8	Very high	83.2	Confident	66 Å²	66	28.8 Å²	28.8	31%	0.308	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.5	170.5	-173.1	175.4	58.7	0	0	110.3	S212 T276 V277 T278	S212-Q257 PolarHBondContact N-O 3.41Å; S212-Q257 PolarHBondContact O-N 3.47Å; Q257-T276 HydrophobicContact CG-CG2 3.27Å; Q257-T276 VanDerWaalsContact NE2-CG2 3.32Å; Q257-V277 CarbonylContact C-O 3.55Å; Q257-V277 VanDerWaalsContact CA-O 3.27Å; Q257-V277 WeakPolarHBondContact CA-O 3.4Å; Q257-T278 PolarHBondContact NE2-OG1 3Å
258	L	94.5	Very high	82.6	Confident	1 Å²	1	34 Å²	34	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	121.2	169.9	-59.2	-174.9	0	0	0	109.3	I191 I193 Q210 V211 I256 T276 V277 F298 F300	I191-L258 HydrophobicContact CG2-CD2 4.47Å; I193-L258 HydrophobicContact CD1-CD1 4.43Å; I193-L258 HydrophobicContact CD1-CD2 3.94Å; I193-L258 HydrophobicContact CG1-CD1 4.44Å; Q210-L258 WeakPolarHBondContact O-CA 3.42Å; V211-L258 HydrophobicContact CB-CD2 4.2Å; V211-L258 HydrophobicContact CG1-CD2 4.01Å; V211-L258 HydrophobicContact CG2-CD2 3.77Å; I256-L258 HydrophobicContact CG2-CD2 4.26Å; L258-T276 WeakPolarHBondContact O-CA 3.46Å; L258-T276 WeakPolarHBondContact O-CG2 3.45Å; L258-V277 HydrophobicContact CB-CB 4.47Å; L258-V277 PolarHBondContact N-O 3.37Å; L258-V277 PolarHBondContact O-N 3.32Å; L258-F298 HydrophobicContact CB-CD1 4.43Å; L258-F298 HydrophobicContact CB-CD2 3.93Å; L258-F298 HydrophobicContact CB-CE1 4.38Å; L258-F298 HydrophobicContact CB-CE2 3.88Å; L258-F298 HydrophobicContact CB-CG 4.21Å; L258-F298 HydrophobicContact CB-CZ 4.11Å; L258-F298 HydrophobicContact CD1-CB 4.3Å; L258-F298 HydrophobicContact CD1-CD1 4.31Å; L258-F298 HydrophobicContact CD1-CG 4.18Å; L258-F298 WeakPolarHBondContact O-CE2 3.5Å; L258-F300 HydrophobicContact CD1-CB 4.08Å; L258-F300 HydrophobicContact CD1-CD1 3.62Å; L258-F300 HydrophobicContact CD1-CD2 3.56Å; L258-F300 HydrophobicContact CD1-CE1 3.71Å; L258-F300 HydrophobicContact CD1-CE2 3.67Å; L258-F300 HydrophobicContact CD1-CG 3.49Å; L258-F300 VanDerWaalsContact CD1-CG 3.49Å; L258-F300 HydrophobicContact CD1-CZ 3.68Å; L258-F300 HydrophobicContact CG-CZ 4.47Å
259	S	94.8	Very high	82.6	Confident	14 Å²	14	44.4 Å²	44.4	10%	0.098	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.2	176.3	61.3	0	0	0	0	111	A209 Q210	A209-S259 WeakPolarHBondContact CA-O 3.47Å; Q210-S259 PolarHBondContact N-O 3.13Å; Q210-S259 PolarHBondContact O-N 2.8Å
260	M	94.6	Very high	82.8	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	137	177.6	-176.5	65.5	71.3	0	0	109.9	F196 Y207 S208 I240 P272 C273 F298	F196-M260 HydrophobicContact CB-CE 3.21Å; F196-M260 HydrophobicContact CD1-CE 3.55Å; F196-M260 HydrophobicContact CD1-CG 4.29Å; F196-M260 HydrophobicContact CD2-CE 3.96Å; F196-M260 HydrophobicContact CE1-CB 4.31Å; F196-M260 HydrophobicContact CE1-CE 4.34Å; F196-M260 HydrophobicContact CE1-CG 4.25Å; F196-M260 HydrophobicContact CE2-CB 4.46Å; F196-M260 HydrophobicContact CG-CE 3.32Å; F196-M260 HydrophobicContact CZ-CB 4.25Å; Y207-M260 HydrophobicContact CD1-CG 4Å; Y207-M260 HydrophobicContact CD1-SD 4.36Å; S208-M260 VanDerWaalsContact C-SD 3.51Å; I240-M260 HydrophobicContact CD1-CE 3.65Å; M260-P272 WeakPolarHBondContact O-CA 3.48Å; M260-C273 WeakPolarHBondContact CB-O 3.24Å; M260-C273 PolarHBondContact O-N 3.04Å; M260-F298 HydrophobicContact CB-CZ 4.05Å; M260-F298 HydrophobicContact CE-CE1 3.9Å; M260-F298 HydrophobicContact CE-CZ 4.08Å
261	N	93.8	Very high	83.4	Confident	15 Å²	15	54.3 Å²	54.3	8%	0.08	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	135.3	174.2	-70.7	-49	0	0	0	110.1	Y207 S208 Q210 H263 R271	Y207-N261 CarbonylContact C-O 3.54Å; Y207-N261 VanDerWaalsContact CA-O 3.24Å; Y207-N261 WeakPolarHBondContact CA-O 3.34Å; S208-N261 PolarHBondContact N-O 2.87Å; S208-N261 PolarHBondContact O-N 3.29Å; Q210-N261 PolarHBondContact OE1-ND2 3.37Å; N261-H263 PolarHBondContact O-CD2 3.04Å; N261-R271 CarbonylContact C-O 3.5Å; N261-R271 WeakPolarHBondContact CA-O 3.31Å
262	S	93	Very high	84.5	Confident	21 Å²	21	59.1 Å²	59.1	15%	0.147	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	139.8	174.8	63	0	0	0	0	111.1	F206 G270 R271	F206-S262 CarbonylContact O-C 3.52Å; F206-S262 WeakPolarHBondContact O-CA 3.47Å; S262-G270 CarbonylContact O-C 3.18Å; S262-G270 WeakPolarHBondContact O-CA 3.42Å; S262-R271 PolarHBondContact N-O 2.9Å; S262-R271 PolarHBondContact O-N 2.99Å; S262-R271 PolarHBondContact OG-O 3.31Å; S262-R271 VanDerWaalsContact OG-O 3.08Å
263	H	92.3	Very high	85.4	Confident	19 Å²	19	60 Å²	60	9%	0.088	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131	-175.3	-53.8	-103.8	0	0	0	109.6	M205 F206 S208 N261 S265 K268 G270	M205-H263 VanDerWaalsContact CE-C 3.43Å; M205-H263 WeakPolarHBondContact CE-O 3.18Å; F206-H263 HydrophobicContact CB-CB 4.24Å; F206-H263 PolarHBondContact N-O 2.81Å; F206-H263 PolarHBondContact O-CD2 3.38Å; F206-H263 PolarHBondContact O-N 2.61Å; S208-H263 PolarHBondContact OG-NE2 2.87Å; N261-H263 PolarHBondContact O-CD2 3.04Å; H263-S265 PolarHBondContact O-N 3.44Å; H263-K268 PolarHBondContact ND1-O 3.05Å; H263-G270 VanDerWaalsContact CE1-CA 3.43Å; H263-G270 WeakPolarHBondContact CE1-CA 3.43Å; H263-G270 WeakPolarHBondContact ND1-CA 3.22Å; H263-G270 PolarHBondContact ND1-N 2.8Å
264	S	87.6	Confident	86	Confident	75 Å²	75	58.9 Å²	58.9	52%	0.524	32%	0.324	S	S	.	.	S	Bend	trans	-74.6	-14.8	176.1	55.1	0	0	0	0	113.8	K268	S264-K268 VanDerWaalsContact OG-CD 3.25Å; S264-K268 WeakPolarHBondContact OG-CD 3.35Å
265	S	80.9	Confident	86.4	Confident	38 Å²	38	62.6 Å²	62.6	27%	0.266	35%	0.347	S	S	.	.	S	Bend	trans	-161	161.2	166.3	68.3	0	0	0	0	108.9	H263 G267 K268	H263-S265 PolarHBondContact O-N 3.44Å; S265-G267 PolarHBondContact O-N 3.22Å; S265-K268 PolarHBondContact O-N 3.39Å; S265-K268 WeakPolarHBondContact OG-CD 3.22Å; S265-K268 WeakPolarHBondContact OG-CE 2.99Å; S265-K268 VanDerWaalsContact OG-CG 3.31Å; S265-K268 WeakPolarHBondContact OG-CG 3.4Å
266	I	74	Confident	86.5	Confident	114 Å²	114	62.3 Å²	62.3	59%	0.585	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	133.9	172.6	-59.7	173.4	0	0	0	109.4	F206 K268	F206-I266 HydrophobicContact CD1-CD1 4.17Å; F206-I266 HydrophobicContact CD1-CG1 3.77Å; F206-I266 HydrophobicContact CD2-CG1 4.12Å; F206-I266 HydrophobicContact CE1-CD1 3.76Å; F206-I266 HydrophobicContact CE1-CG1 3.79Å; F206-I266 HydrophobicContact CE2-CG1 4.13Å; F206-I266 HydrophobicContact CG-CG1 3.95Å; F206-I266 HydrophobicContact CZ-CD1 4.03Å; F206-I266 HydrophobicContact CZ-CG1 3.97Å; I266-K268 PolarHBondContact O-N 3.42Å
267	G	68.4	Low	86.5	Confident	79 Å²	79	63.1 Å²	63.1	81%	0.814	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	-6.2	178.7	0	0	0	0	0	116.4	S265	S265-G267 PolarHBondContact O-N 3.22Å
268	K	76.6	Confident	86.3	Confident	114 Å²	114	64 Å²	64	50%	0.496	36%	0.362	S	S	.	.	S	Bend	trans	-80.2	154.3	173.4	-76.7	-177.6	-176.3	167.6	0	111.8	H263 S264 S265 I266 G270	H263-K268 PolarHBondContact ND1-O 3.05Å; S264-K268 VanDerWaalsContact OG-CD 3.25Å; S264-K268 WeakPolarHBondContact OG-CD 3.35Å; S265-K268 PolarHBondContact O-N 3.39Å; S265-K268 WeakPolarHBondContact OG-CD 3.22Å; S265-K268 WeakPolarHBondContact OG-CE 2.99Å; S265-K268 VanDerWaalsContact OG-CG 3.31Å; S265-K268 WeakPolarHBondContact OG-CG 3.4Å; I266-K268 PolarHBondContact O-N 3.42Å; K268-G270 PolarHBondContact O-N 3.41Å
269	R	80.4	Confident	85.9	Confident	226 Å²	226	65.3 Å²	65.3	85%	0.853	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-58.2	123.5	174.8	-175.6	-175.7	-71.7	-168.9	-4.6	109.6
270	G	81.8	Confident	85.3	Confident	21 Å²	21	67.7 Å²	67.7	22%	0.216	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-71.2	152.8	177.8	0	0	0	0	0	112.6	S262 H263 K268	S262-G270 CarbonylContact O-C 3.18Å; S262-G270 WeakPolarHBondContact O-CA 3.42Å; H263-G270 VanDerWaalsContact CE1-CA 3.43Å; H263-G270 WeakPolarHBondContact CE1-CA 3.43Å; H263-G270 WeakPolarHBondContact ND1-CA 3.22Å; H263-G270 PolarHBondContact ND1-N 2.8Å; K268-G270 PolarHBondContact O-N 3.41Å
271	R	88.7	Confident	84.3	Confident	196 Å²	196	67.7 Å²	67.7	74%	0.74	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	138.1	168.1	-64.6	-177.2	-177.2	-175	0.4	109.6	N261 S262 C273	N261-R271 CarbonylContact C-O 3.5Å; N261-R271 WeakPolarHBondContact CA-O 3.31Å; S262-R271 PolarHBondContact N-O 2.9Å; S262-R271 PolarHBondContact O-N 2.99Å; S262-R271 PolarHBondContact OG-O 3.31Å; S262-R271 VanDerWaalsContact OG-O 3.08Å; R271-C273 PolarHBondContact O-N 3.39Å
272	P	89.8	Confident	82.9	Confident	114 Å²	114	69.6 Å²	69.6	74%	0.74	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-51.6	136.5	175.9	-26.1	34.5	0	0	0	111.5	M260	M260-P272 WeakPolarHBondContact O-CA 3.48Å
273	C	87.8	Confident	81.5	Confident	22 Å²	22	73.2 Å²	73.2	15%	0.149	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	139.5	-177.9	-177.7	0	0	0	0	109.5	Y207 M260 R271	Y207-C273 HydrophobicContact CE1-CB 4.46Å; M260-C273 WeakPolarHBondContact CB-O 3.24Å; M260-C273 PolarHBondContact O-N 3.04Å; R271-C273 PolarHBondContact O-N 3.39Å
274	G	83.3	Confident	80.2	Confident	31 Å²	31	77.1 Å²	77.1	32%	0.32	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	69.6	-165.7	174.6	0	0	0	0	0	115
275	V	83.6	Confident	78.9	Confident	78 Å²	78	77 Å²	77	47%	0.473	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	137.3	-175.9	-177.4	0	0	0	0	109.9	T296	V275-T296 HydrophobicContact CG2-CG2 4.44Å
276	T	88.3	Confident	78.4	Confident	62 Å²	62	78.6 Å²	78.6	38%	0.38	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.3	169.9	-63.2	0	0	0	0	108.7	Q257 L258	Q257-T276 HydrophobicContact CG-CG2 3.27Å; Q257-T276 VanDerWaalsContact NE2-CG2 3.32Å; L258-T276 WeakPolarHBondContact O-CA 3.46Å; L258-T276 WeakPolarHBondContact O-CG2 3.45Å
277	V	89.8	Confident	78.6	Confident	19 Å²	19	77 Å²	77	12%	0.115	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	126.9	175	172.3	0	0	0	0	108	Q257 L258 I279 F298 F300	Q257-V277 CarbonylContact C-O 3.55Å; Q257-V277 VanDerWaalsContact CA-O 3.27Å; Q257-V277 WeakPolarHBondContact CA-O 3.4Å; L258-V277 HydrophobicContact CB-CB 4.47Å; L258-V277 PolarHBondContact N-O 3.37Å; L258-V277 PolarHBondContact O-N 3.32Å; V277-I279 HydrophobicContact CG1-CD1 4.02Å; V277-I279 HydrophobicContact CG1-CG1 3.75Å; V277-F298 HydrophobicContact CB-CD2 4.31Å; V277-F298 HydrophobicContact CG2-CD2 3.87Å; V277-F300 HydrophobicContact CG1-CE1 3.93Å; V277-F300 HydrophobicContact CG1-CZ 3.98Å
278	T	89.1	Confident	79.2	Confident	83 Å²	83	75.2 Å²	75.2	51%	0.509	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.8	172.7	-55.4	0	0	0	0	108.4	N255 I256 Q257	N255-T278 HydrophobicContact CB-CG2 4.27Å; I256-T278 CarbonylContact O-C 3.6Å; I256-T278 WeakPolarHBondContact O-CA 3.35Å; Q257-T278 PolarHBondContact NE2-OG1 3Å
279	I	85	Confident	79.4	Confident	30 Å²	30	73.4 Å²	73.4	15%	0.154	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.5	-180	-58.9	-163.8	0	0	0	108.6	N255 I256 V277 I288 F300	N255-I279 CarbonylContact C-O 3.55Å; N255-I279 VanDerWaalsContact CA-O 3.32Å; N255-I279 WeakPolarHBondContact CA-O 3.38Å; I256-I279 PolarHBondContact N-O 2.85Å; I256-I279 PolarHBondContact O-N 3.47Å; V277-I279 HydrophobicContact CG1-CD1 4.02Å; V277-I279 HydrophobicContact CG1-CG1 3.75Å; I279-I288 HydrophobicContact CD1-CG2 3.8Å; I279-I288 HydrophobicContact CG2-CD1 3.23Å; I279-I288 HydrophobicContact CG2-CG1 4.47Å; I279-I288 HydrophobicContact CG2-CG2 4.26Å; I279-F300 HydrophobicContact CD1-CE1 4.17Å; I279-F300 HydrophobicContact CD1-CE2 4.08Å; I279-F300 HydrophobicContact CD1-CZ 3.33Å; I279-F300 HydrophobicContact CG1-CZ 4.19Å
280	C	82.1	Confident	79.4	Confident	63 Å²	63	65.1 Å²	65.1	43%	0.426	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	116.3	170.3	-166.5	0	0	0	0	108.8	S253	S253-C280 PolarHBondContact OG-SG 2.87Å
281	L	74.1	Confident	79	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.005	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	116.1	160.9	-69.2	174	0	0	0	107.1	L189 S253 T254 I256 I288 R304	L189-L281 HydrophobicContact CD1-CD1 3.6Å; S253-L281 WeakPolarHBondContact CA-O 3.49Å; T254-L281 PolarHBondContact N-O 3.12Å; T254-L281 PolarHBondContact O-N 3.35Å; I256-L281 HydrophobicContact CD1-CD1 3.21Å; I256-L281 HydrophobicContact CD1-CD2 4.05Å; I256-L281 HydrophobicContact CD1-CG 3.51Å; I256-L281 HydrophobicContact CG1-CD1 3.64Å; I256-L281 HydrophobicContact CG1-CG 3.95Å; L281-I288 HydrophobicContact CD2-CD1 3.68Å; L281-I288 HydrophobicContact CD2-CG1 4.18Å; L281-R304 HydrophobicContact CD1-CB 4.09Å
282	N	65.5	Low	78	Confident	56 Å²	56	65.2 Å²	65.2	30%	0.299	38%	0.383	S	S	.	.			trans	-70.2	-172.9	173.8	70.5	13.3	0	0	0	110.9	N284 E286 R304	N282-N284 VanDerWaalsContact C-N 3.25Å; N282-N284 PolarHBondContact O-N 3.42Å; N282-N284 PolarHBondContact OD1-N 2.91Å; N282-N284 VanDerWaalsContact OD1-N 3.11Å; N282-E286 VanDerWaalsContact CG-OE2 3.23Å; N282-E286 PolarHBondContact ND2-OE1 3.44Å; N282-E286 PolarHBondContact ND2-OE2 3.26Å; N282-E286 PolarHBondContact OD1-OE1 3.44Å; N282-E286 PolarHBondContact OD1-OE2 3.48Å; N282-E286 VanDerWaalsContact OD1-OE2 3.09Å; N282-R304 PolarHBondContact O-NH1 2.89Å
283	E	62.5	Low	76.5	Confident	96 Å²	96	62.4 Å²	62.4	45%	0.449	37%	0.369	S	S	.	.	S	Bend	trans	-73.9	-11	-174.4	-69.6	165.3	-153.2	0	0	114	R306	E283-R306 PolarHBondContact O-NE 2.81Å; E283-R306 VanDerWaalsContact O-NE 3.16Å; E283-R306 PolarHBondContact O-NH1 3.3Å; E283-R306 VanDerWaalsContact O-NH1 3.16Å; E283-R306 PolarHBondContact O-NH2 2.98Å
284	N	65.2	Low	75.3	Confident	102 Å²	102	68.4 Å²	68.4	55%	0.545	40%	0.4	S	S	.	.	S	Bend	trans	-91.4	163.7	-174.5	-65.5	-30.2	0	0	0	112.3	N282 E286	N282-N284 VanDerWaalsContact C-N 3.25Å; N282-N284 PolarHBondContact O-N 3.42Å; N282-N284 PolarHBondContact OD1-N 2.91Å; N282-N284 VanDerWaalsContact OD1-N 3.11Å; N284-E286 HydrophobicContact CB-CG 3.92Å; N284-E286 PolarHBondContact O-N 3.39Å
285	N	61	Low	75	Confident	71 Å²	71	68.8 Å²	68.8	38%	0.38	40%	0.397	S	S	.	.	S	Bend	trans	-67.4	66	171.3	-76.4	-24.9	0	0	0	110.7	R304 N305 R306	N285-R304 WeakPolarHBondContact CA-O 3.43Å; N285-N305 WeakPolarHBondContact OD1-CA 3.24Å; N285-R306 PolarHBondContact OD1-N 2.67Å
286	E	69.6	Low	75.1	Confident	73 Å²	73	68.2 Å²	68.2	34%	0.341	39%	0.394	S	S	.	.			trans	-99.7	141.9	-174	-74.2	-174.4	-173.3	0	0	112.6	N282 N284 R304	N282-E286 VanDerWaalsContact CG-OE2 3.23Å; N282-E286 PolarHBondContact ND2-OE1 3.44Å; N282-E286 PolarHBondContact ND2-OE2 3.26Å; N282-E286 PolarHBondContact OD1-OE1 3.44Å; N282-E286 PolarHBondContact OD1-OE2 3.48Å; N282-E286 VanDerWaalsContact OD1-OE2 3.09Å; N284-E286 HydrophobicContact CB-CG 3.92Å; N284-E286 PolarHBondContact O-N 3.39Å; E286-R304 PolarHBondContact O-N 3.14Å
287	S	77.3	Confident	75.2	Confident	81 Å²	81	65.4 Å²	65.4	57%	0.566	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	130.7	169.1	66.7	0	0	0	0	109.7	A302	S287-A302 CarbonylContact C-O 3.5Å; S287-A302 WeakPolarHBondContact CA-O 3.11Å
288	I	82.2	Confident	75.3	Confident	40 Å²	40	64.7 Å²	64.7	21%	0.205	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	128	174.3	-59.5	178.2	0	0	0	107.7	I279 L281 R301 A302	I279-I288 HydrophobicContact CD1-CG2 3.8Å; I279-I288 HydrophobicContact CG2-CD1 3.23Å; I279-I288 HydrophobicContact CG2-CG1 4.47Å; I279-I288 HydrophobicContact CG2-CG2 4.26Å; L281-I288 HydrophobicContact CD2-CD1 3.68Å; L281-I288 HydrophobicContact CD2-CG1 4.18Å; I288-R301 CarbonylContact O-C 3.6Å; I288-R301 WeakPolarHBondContact O-CA 3.25Å; I288-A302 PolarHBondContact N-O 2.68Å; I288-A302 PolarHBondContact O-N 2.7Å
289	C	80.6	Confident	75.5	Confident	76 Å²	76	61.2 Å²	61.2	51%	0.514	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	121.2	176.4	-172.4	0	0	0	0	109.6
290	Q	81.2	Confident	75.8	Confident	53 Å²	53	59.9 Å²	59.9	25%	0.248	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	105.5	172.4	-174.4	167.7	-0.7	0	0	108.4	V299 F300	Q290-V299 WeakPolarHBondContact O-CA 3.27Å; Q290-F300 HydrophobicContact CB-CD1 3.96Å; Q290-F300 HydrophobicContact CB-CE1 3.85Å; Q290-F300 PolarHBondContact N-O 2.85Å; Q290-F300 PolarHBondContact O-N 3.12Å; Q290-F300 VanDerWaalsContact O-N 3.12Å
291	S	72.4	Confident	76.3	Confident	84 Å²	84	62 Å²	62	59%	0.587	34%	0.344	S	S	*	.			trans	-119	3	-173.8	-164.3	0	0	0	0	114.1	A293	S291-A293 PolarHBondContact O-N 3.21Å
292	Q	68.3	Low	77.1	Confident	135 Å²	135	62 Å²	62	63%	0.631	34%	0.344	S	S	*	.			trans	-53.5	119.4	-173.8	-72.2	-175.4	-8.2	0	0	111.2	R197 D294 S295	R197-Q292 PolarHBondContact NH1-O 3.47Å; R197-Q292 VanDerWaalsContact NH1-O 3.13Å; Q292-D294 VanDerWaalsContact C-N 3.33Å; Q292-D294 PolarHBondContact O-N 3.04Å; Q292-S295 VanDerWaalsContact CB-OG 3.3Å; Q292-S295 WeakPolarHBondContact CB-OG 3.41Å; Q292-S295 PolarHBondContact OE1-OG 3.48Å
293	A	57.4	Low	78.2	Confident	55 Å²	55	61.7 Å²	61.7	46%	0.455	34%	0.341	S	S	.	.	S	Bend	trans	-72.8	-28.3	-167.6	0	0	0	0	0	112.7	R197 S291	R197-A293 PolarHBondContact NE-O 2.98Å; R197-A293 PolarHBondContact NH1-O 3.43Å; R197-A293 PolarHBondContact NH2-O 3.43Å; S291-A293 PolarHBondContact O-N 3.21Å
294	D	63.8	Low	79.4	Confident	148 Å²	148	57.1 Å²	57.1	79%	0.791	32%	0.319	S	S	*	.	S	Bend	trans	-115.7	2.4	-164.8	-53.7	-34.8	0	0	0	113.8	M235 Q292	M235-D294 WeakPolarHBondContact CE-O 3.43Å; Q292-D294 VanDerWaalsContact C-N 3.33Å; Q292-D294 PolarHBondContact O-N 3.04Å
295	S	76.3	Confident	80.4	Confident	38 Å²	38	52.9 Å²	52.9	27%	0.266	30%	0.297	S	S	.	.	S	Bend	trans	-101.2	146.9	179.6	57.9	0	0	0	0	113	Q292	Q292-S295 VanDerWaalsContact CB-OG 3.3Å; Q292-S295 WeakPolarHBondContact CB-OG 3.41Å; Q292-S295 PolarHBondContact OE1-OG 3.48Å
296	T	85.5	Confident	81.5	Confident	66 Å²	66	51.5 Å²	51.5	41%	0.405	29%	0.286	S	S	.	.	S	Bend	trans	-61.6	131.2	171.5	-60.4	0	0	0	0	109.6	R197 M235 V275	R197-T296 WeakPolarHBondContact O-CG2 3.38Å; M235-T296 PolarHBondContact SD-OG1 3.25Å; V275-T296 HydrophobicContact CG2-CG2 4.44Å
297	G	90.1	Very high	82.2	Confident	4 Å²	4	48 Å²	48	4%	0.041	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	136.9	-163.3	176	0	0	0	0	0	114.6	F196 R197	F196-G297 WeakPolarHBondContact CA-O 3.27Å; F196-G297 VanDerWaalsContact CD2-C 3.49Å; F196-G297 WeakPolarHBondContact CD2-O 3.34Å; R197-G297 PolarHBondContact N-O 3.48Å; R197-G297 PolarHBondContact O-N 2.89Å
298	F	91.8	Very high	82.7	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.018	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	140.2	-179.2	-73.6	-85.7	0	0	0	111.9	I193 F196 A209 I240 L258 M260 V277 F300	I193-F298 HydrophobicContact CG2-CD1 3.85Å; I193-F298 HydrophobicContact CG2-CE1 4.28Å; F196-F298 HydrophobicContact CB-CD1 4.28Å; F196-F298 HydrophobicContact CB-CE1 4.3Å; F196-F298 AromaticContact CD2-CD1 3.83Å; F196-F298 HydrophobicContact CD2-CD1 3.83Å; F196-F298 AromaticContact CD2-CD2 3.63Å; F196-F298 HydrophobicContact CD2-CD2 3.63Å; F196-F298 AromaticContact CD2-CE1 3.83Å; F196-F298 HydrophobicContact CD2-CE1 3.83Å; F196-F298 AromaticContact CD2-CE2 3.63Å; F196-F298 HydrophobicContact CD2-CE2 3.63Å; F196-F298 AromaticContact CD2-CG 3.73Å; F196-F298 HydrophobicContact CD2-CG 3.73Å; F196-F298 AromaticContact CD2-CZ 3.73Å; F196-F298 HydrophobicContact CD2-CZ 3.73Å; F196-F298 AromaticContact CE2-CD2 3.81Å; F196-F298 HydrophobicContact CE2-CD2 3.81Å; F196-F298 AromaticContact CE2-CE2 3.63Å; F196-F298 HydrophobicContact CE2-CE2 3.63Å; F196-F298 HydrophobicContact CE2-CG 4.37Å; F196-F298 HydrophobicContact CE2-CZ 4.06Å; F196-F298 HydrophobicContact CG-CE1 4.4Å; A209-F298 HydrophobicContact CB-CE1 3.98Å; I240-F298 HydrophobicContact CD1-CE1 4.28Å; L258-F298 HydrophobicContact CB-CD1 4.43Å; L258-F298 HydrophobicContact CB-CD2 3.93Å; L258-F298 HydrophobicContact CB-CE1 4.38Å; L258-F298 HydrophobicContact CB-CE2 3.88Å; L258-F298 HydrophobicContact CB-CG 4.21Å; L258-F298 HydrophobicContact CB-CZ 4.11Å; L258-F298 HydrophobicContact CD1-CB 4.3Å; L258-F298 HydrophobicContact CD1-CD1 4.31Å; L258-F298 HydrophobicContact CD1-CG 4.18Å; L258-F298 WeakPolarHBondContact O-CE2 3.5Å; M260-F298 HydrophobicContact CB-CZ 4.05Å; M260-F298 HydrophobicContact CE-CE1 3.9Å; M260-F298 HydrophobicContact CE-CZ 4.08Å; V277-F298 HydrophobicContact CB-CD2 4.31Å; V277-F298 HydrophobicContact CG2-CD2 3.87Å; F298-F300 HydrophobicContact CB-CD1 3.69Å; F298-F300 HydrophobicContact CB-CE1 4.16Å
299	V	92.9	Very high	82.8	Confident	9 Å²	9	44.3 Å²	44.3	6%	0.055	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	115.7	160.1	179.2	0	0	0	0	107.4	D194 K195 Q290	D194-V299 HydrophobicContact CB-CB 4.38Å; D194-V299 HydrophobicContact CB-CG1 4.09Å; D194-V299 PolarHBondContact N-O 2.99Å; K195-V299 HydrophobicContact CD-CG2 4.43Å; K195-V299 HydrophobicContact CG-CB 3.77Å; K195-V299 HydrophobicContact CG-CG2 3.83Å; K195-V299 PolarHBondContact N-O 3.42Å; K195-V299 PolarHBondContact O-N 3.3Å; Q290-V299 WeakPolarHBondContact O-CA 3.27Å
300	F	92.9	Very high	83.1	Confident	3 Å²	3	42.3 Å²	42.3	1%	0.013	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	163.5	-174.2	75.9	-80.3	0	0	0	112.8	E192 I193 L258 V277 I279 Q290 F298 A302	E192-F300 CarbonylContact O-C 3.52Å; E192-F300 WeakPolarHBondContact O-CA 3.37Å; E192-F300 WeakPolarHBondContact O-CB 3.44Å; I193-F300 HydrophobicContact CG1-CB 4.43Å; L258-F300 HydrophobicContact CD1-CB 4.08Å; L258-F300 HydrophobicContact CD1-CD1 3.62Å; L258-F300 HydrophobicContact CD1-CD2 3.56Å; L258-F300 HydrophobicContact CD1-CE1 3.71Å; L258-F300 HydrophobicContact CD1-CE2 3.67Å; L258-F300 HydrophobicContact CD1-CG 3.49Å; L258-F300 VanDerWaalsContact CD1-CG 3.49Å; L258-F300 HydrophobicContact CD1-CZ 3.68Å; L258-F300 HydrophobicContact CG-CZ 4.47Å; V277-F300 HydrophobicContact CG1-CE1 3.93Å; V277-F300 HydrophobicContact CG1-CZ 3.98Å; I279-F300 HydrophobicContact CD1-CE1 4.17Å; I279-F300 HydrophobicContact CD1-CE2 4.08Å; I279-F300 HydrophobicContact CD1-CZ 3.33Å; I279-F300 HydrophobicContact CG1-CZ 4.19Å; Q290-F300 HydrophobicContact CB-CD1 3.96Å; Q290-F300 HydrophobicContact CB-CE1 3.85Å; Q290-F300 PolarHBondContact N-O 2.85Å; Q290-F300 PolarHBondContact O-N 3.12Å; Q290-F300 VanDerWaalsContact O-N 3.12Å; F298-F300 HydrophobicContact CB-CD1 3.69Å; F298-F300 HydrophobicContact CB-CE1 4.16Å; F300-A302 HydrophobicContact CD2-CB 4.27Å; F300-A302 HydrophobicContact CE2-CB 4.1Å
301	R	92.1	Very high	83.3	Confident	106 Å²	106	44.1 Å²	44.1	40%	0.4	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136.5	167.5	-175.8	-175.4	-62.9	123.2	3.2	108.7	I191 E192 I288	I191-R301 CarbonylContact C-O 3.59Å; I191-R301 WeakPolarHBondContact CA-O 3.34Å; E192-R301 HydrophobicContact CB-CB 4.39Å; E192-R301 PolarHBondContact N-O 3.45Å; E192-R301 PolarHBondContact O-N 2.91Å; E192-R301 IonicContact OE1-CZ 2.96Å; E192-R301 IonicContact OE1-NH1 3.84Å; E192-R301 PolarHBondContact OE1-NH1 3.17Å; E192-R301 IonicContact OE2-NH1 2.79Å; I288-R301 CarbonylContact O-C 3.6Å; I288-R301 WeakPolarHBondContact O-CA 3.25Å
302	A	90.6	Very high	83.9	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	136.6	169.5	0	0	0	0	0	109	S190 I191 I256 S287 I288 F300	S190-A302 CarbonylContact O-C 3.54Å; S190-A302 VanDerWaalsContact O-CA 3.3Å; S190-A302 WeakPolarHBondContact O-CA 3.22Å; I191-A302 HydrophobicContact CG1-CB 3.99Å; I256-A302 HydrophobicContact CD1-CB 3.58Å; S287-A302 CarbonylContact C-O 3.5Å; S287-A302 WeakPolarHBondContact CA-O 3.11Å; I288-A302 PolarHBondContact N-O 2.68Å; I288-A302 PolarHBondContact O-N 2.7Å; F300-A302 HydrophobicContact CD2-CB 4.27Å; F300-A302 HydrophobicContact CE2-CB 4.1Å
303	Q	88.9	Confident	84.7	Confident	50 Å²	50	41 Å²	41	23%	0.234	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	124.6	179.7	-177.3	-179.8	-7.6	0	0	109.7	S190 N305	S190-Q303 PolarHBondContact N-O 2.81Å; S190-Q303 PolarHBondContact O-N 3.16Å; Q303-N305 PolarHBondContact NE2-ND2 3.33Å; Q303-N305 PolarHBondContact NE2-OD1 2.87Å
304	R	87.3	Confident	86.2	Confident	1 Å²	1	45.3 Å²	45.3	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133	169.3	171.8	-174.8	-99.5	169.3	-7.4	109	I188 I249 P250 T251 C252 T254 L281 N282 N285 E286	I188-R304 CarbonylContact O-C 3.46Å; I188-R304 WeakPolarHBondContact O-CA 3.37Å; I249-R304 HydrophobicContact CD1-CG 4.32Å; I249-R304 VanDerWaalsContact CD1-NE 3.32Å; P250-R304 PolarHBondContact O-NH2 3.32Å; T251-R304 PolarHBondContact O-NH1 3.39Å; T251-R304 VanDerWaalsContact O-NH1 3.14Å; T251-R304 PolarHBondContact O-NH2 3.44Å; C252-R304 VanDerWaalsContact O-CZ 3.32Å; C252-R304 PolarHBondContact O-NH1 2.95Å; C252-R304 PolarHBondContact O-NH2 3Å; T254-R304 PolarHBondContact OG1-NH2 3.08Å; L281-R304 HydrophobicContact CD1-CB 4.09Å; N282-R304 PolarHBondContact O-NH1 2.89Å; N285-R304 WeakPolarHBondContact CA-O 3.43Å; E286-R304 PolarHBondContact O-N 3.14Å
305	N	86.3	Confident	87.5	Confident	13 Å²	13	38.3 Å²	38.3	7%	0.07	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	123.6	172.9	-56.6	-61	0	0	0	109.5	S187 I188 N285 Q303 Y565	S187-N305 CarbonylContact C-O 3.55Å; S187-N305 WeakPolarHBondContact CA-O 3.38Å; I188-N305 PolarHBondContact N-O 2.76Å; I188-N305 PolarHBondContact O-N 3.35Å; N285-N305 WeakPolarHBondContact OD1-CA 3.24Å; Q303-N305 PolarHBondContact NE2-ND2 3.33Å; Q303-N305 PolarHBondContact NE2-OD1 2.87Å; N305-Y565 HydrophobicContact CB-CE1 3.94Å; N305-Y565 HydrophobicContact CB-CE2 4.17Å; N305-Y565 VanDerWaalsContact CG-CZ 3.49Å; N305-Y565 PolarHBondContact ND2-OH 2.88Å; N305-Y565 VanDerWaalsContact ND2-OH 3.16Å; N305-Y565 PolarHBondContact OD1-OH 3Å
306	R	83.4	Confident	88.2	Confident	42 Å²	42	41.3 Å²	41.3	16%	0.158	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116.7	173.6	-64.3	-176.2	172.8	-177.3	1.8	108.6	T251 E283 N285	T251-R306 PolarHBondContact O-NH2 3.05Å; E283-R306 PolarHBondContact O-NE 2.81Å; E283-R306 VanDerWaalsContact O-NE 3.16Å; E283-R306 PolarHBondContact O-NH1 3.3Å; E283-R306 VanDerWaalsContact O-NH1 3.16Å; E283-R306 PolarHBondContact O-NH2 2.98Å; N285-R306 PolarHBondContact OD1-N 2.67Å
307	C	85.9	Confident	88.6	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	119.9	179.6	-53.8	0	0	0	0	108.7	Q185 V186 S561 Y565	Q185-C307 CarbonylContact C-O 3.57Å; Q185-C307 VanDerWaalsContact CA-O 3.27Å; Q185-C307 WeakPolarHBondContact CA-O 3.48Å; V186-C307 PolarHBondContact N-O 3.1Å; V186-C307 PolarHBondContact O-N 3.24Å; C307-S561 VanDerWaalsContact CB-OG 3.24Å; C307-S561 WeakPolarHBondContact CB-OG 3.47Å; C307-Y565 VanDerWaalsContact SG-CB 3.58Å; C307-Y565 VanDerWaalsContact SG-CG 3.57Å
308	P	86.1	Confident	88.7	Confident	24 Å²	24	40.3 Å²	40.3	16%	0.156	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	135.8	174.7	26.1	-31.2	0	0	0	110.8	L310 Y315 S561 L594 H595	P308-L310 HydrophobicContact CB-CD2 4.34Å; P308-Y315 PolarHBondContact O-OH 2.82Å; P308-S561 WeakPolarHBondContact O-CB 3.35Å; P308-S561 PolarHBondContact O-OG 3.27Å; P308-L594 VanDerWaalsContact CG-O 3.24Å; P308-L594 WeakPolarHBondContact CG-O 3.5Å; P308-H595 PolarHBondContact O-CD2 3.3Å; P308-H595 PolarHBondContact O-NE2 3.22Å
309	V	85.9	Confident	88.8	Confident	18 Å²	18	40.3 Å²	40.3	11%	0.109	20%	0.196	C	C	.	.			trans	-99.9	107	176	-178.6	0	0	0	0	107.5	S184 V186 T557 E558	S184-V309 PolarHBondContact O-N 3.06Å; V186-V309 HydrophobicContact CB-CG2 4.41Å; V186-V309 HydrophobicContact CG2-CG2 3.46Å; V186-V309 VanDerWaalsContact CG2-CG2 3.46Å; V309-T557 WeakPolarHBondContact CG1-OG1 3.27Å; V309-E558 HydrophobicContact CG2-CG 4.42Å
310	L	86.6	Confident	88.8	Confident	35 Å²	35	42.4 Å²	42.4	18%	0.183	21%	0.207	C	C	.	.			trans	-89.8	163.5	-177.8	-53.1	179.3	0	0	0	111.2	P308 R314 Y315 L591 L594	P308-L310 HydrophobicContact CB-CD2 4.34Å; L310-R314 HydrophobicContact CB-CB 3.9Å; L310-R314 HydrophobicContact CB-CG 4.26Å; L310-R314 HydrophobicContact CD1-CB 4.12Å; L310-Y315 HydrophobicContact CB-CD2 4.4Å; L310-Y315 HydrophobicContact CB-CE2 3.66Å; L310-Y315 HydrophobicContact CG-CE2 4.48Å; L310-Y315 PolarHBondContact N-OH 2.66Å; L310-Y315 VanDerWaalsContact O-CE2 3.27Å; L310-Y315 WeakPolarHBondContact O-CE2 3.48Å; L310-L591 HydrophobicContact CD1-CD1 3.67Å; L310-L594 HydrophobicContact CD1-CD1 4.14Å
311	P	85.1	Confident	88.8	Confident	90 Å²	90	43.6 Å²	43.6	58%	0.584	21%	0.213	S	C	*	.			trans	-56.9	147.2	166.5	-24.7	34.8	0	0	0	111.6	D313 R314	P311-D313 PolarHBondContact O-N 3.15Å; P311-D313 VanDerWaalsContact O-N 3.13Å; P311-R314 WeakPolarHBondContact O-CB 3.33Å; P311-R314 PolarHBondContact O-N 3.04Å
312	L	84.8	Confident	88.9	Confident	50 Å²	50	38.8 Å²	38.8	26%	0.262	20%	0.195	S	C	.	.	H	α-helix	trans	-53.6	-37.7	-175.9	-177.2	62	0	0	0	113	R314 Y315 K316 L319 I552 V555 T557 I560	L312-R314 PolarHBondContact O-N 3.33Å; L312-R314 VanDerWaalsContact O-N 3.16Å; L312-Y315 WeakPolarHBondContact O-CB 3.43Å; L312-Y315 PolarHBondContact O-N 3.02Å; L312-K316 PolarHBondContact O-N 3.49Å; L312-L319 HydrophobicContact CD1-CD1 3.79Å; L312-I552 HydrophobicContact CD2-CG2 4.04Å; L312-V555 HydrophobicContact CD1-CB 4.05Å; L312-V555 HydrophobicContact CD1-CG1 4.49Å; L312-T557 HydrophobicContact CB-CG2 4.03Å; L312-T557 HydrophobicContact CD1-CG2 4.09Å; L312-I560 HydrophobicContact CD1-CD1 3.96Å
313	D	85.6	Confident	89	Confident	104 Å²	104	42.9 Å²	42.9	56%	0.556	21%	0.211	S	C	*	.	H	α-helix	trans	-56.8	-31.4	177.9	-69.8	-45.2	0	0	0	113.6	P311 Y315 K316	P311-D313 PolarHBondContact O-N 3.15Å; P311-D313 VanDerWaalsContact O-N 3.13Å; D313-Y315 VanDerWaalsContact C-N 3.26Å; D313-Y315 PolarHBondContact O-N 3.48Å; D313-K316 WeakPolarHBondContact O-CB 3.48Å; D313-K316 PolarHBondContact O-N 3.44Å; D313-K316 WeakPolarHBondContact OD1-CE 3.1Å; D313-K316 IonicContact OD1-NZ 3.31Å; D313-K316 PolarHBondContact OD1-NZ 3.34Å
314	R	89.2	Confident	89.1	Confident	146 Å²	146	45.6 Å²	45.6	55%	0.551	22%	0.223	S	C	*	.	H	α-helix	trans	-72.3	-23	177.9	-60.3	-65.9	-66.3	-173.3	-0.8	112.3	L310 P311 L312	L310-R314 HydrophobicContact CB-CB 3.9Å; L310-R314 HydrophobicContact CB-CG 4.26Å; L310-R314 HydrophobicContact CD1-CB 4.12Å; P311-R314 WeakPolarHBondContact O-CB 3.33Å; P311-R314 PolarHBondContact O-N 3.04Å; L312-R314 PolarHBondContact O-N 3.33Å; L312-R314 VanDerWaalsContact O-N 3.16Å
315	Y	91.3	Very high	89.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-89.3	-9	178.2	-67.7	-69.3	0	0	0	113.6	P308 L310 L312 D313 P317 L318 L319 T557 I560 S561 L591 H595	P308-Y315 PolarHBondContact O-OH 2.82Å; L310-Y315 HydrophobicContact CB-CD2 4.4Å; L310-Y315 HydrophobicContact CB-CE2 3.66Å; L310-Y315 HydrophobicContact CG-CE2 4.48Å; L310-Y315 PolarHBondContact N-OH 2.66Å; L310-Y315 VanDerWaalsContact O-CE2 3.27Å; L310-Y315 WeakPolarHBondContact O-CE2 3.48Å; L312-Y315 WeakPolarHBondContact O-CB 3.43Å; L312-Y315 PolarHBondContact O-N 3.02Å; D313-Y315 VanDerWaalsContact C-N 3.26Å; D313-Y315 PolarHBondContact O-N 3.48Å; Y315-P317 VanDerWaalsContact C-CD 3.49Å; Y315-L318 WeakPolarHBondContact O-CB 3.43Å; Y315-L318 PolarHBondContact O-N 3.26Å; Y315-L319 WeakPolarHBondContact O-CG 3.44Å; Y315-L319 PolarHBondContact O-N 3.09Å; Y315-T557 HydrophobicContact CD2-CG2 3.97Å; Y315-T557 HydrophobicContact CE2-CG2 4.08Å; Y315-I560 HydrophobicContact CD1-CB 4.18Å; Y315-I560 HydrophobicContact CD1-CG2 3.32Å; Y315-I560 HydrophobicContact CD2-CD1 4.46Å; Y315-I560 HydrophobicContact CD2-CG2 4.37Å; Y315-I560 HydrophobicContact CE1-CB 4.39Å; Y315-I560 HydrophobicContact CE1-CG2 3.85Å; Y315-I560 HydrophobicContact CG-CB 4.28Å; Y315-I560 HydrophobicContact CG-CD1 4.4Å; Y315-I560 HydrophobicContact CG-CG2 3.65Å; Y315-S561 WeakPolarHBondContact OH-CB 3.38Å; Y315-L591 HydrophobicContact CD1-CD1 4.05Å; Y315-L591 HydrophobicContact CD1-CD2 3.88Å; Y315-L591 HydrophobicContact CD1-CG 4.43Å; Y315-L591 HydrophobicContact CE1-CD1 4.06Å; Y315-L591 HydrophobicContact CE1-CD2 4.45Å; Y315-H595 AromaticContact CE1-CE1 3.47Å; Y315-H595 VanDerWaalsContact CE1-CE1 3.47Å; Y315-H595 WeakPolarHBondContact CE1-CE1 3.18Å; Y315-H595 AromaticContact CE1-NE2 3.4Å; Y315-H595 WeakPolarHBondContact CE1-NE2 3.22Å; Y315-H595 AromaticContact CZ-CE1 3.85Å; Y315-H595 AromaticContact CZ-NE2 3.51Å; Y315-H595 PolarHBondContact OH-CE1 3.23Å; Y315-H595 PolarHBondContact OH-NE2 3.25Å
316	K	90.8	Very high	89.6	Confident	101 Å²	101	48 Å²	48	44%	0.439	24%	0.241	S	C	.	.	H	α-helix	trans	-47.1	-50.1	-179.2	-78.5	175	168.3	166.2	0	113.6	L312 D313 L318 L319 D320	L312-K316 PolarHBondContact O-N 3.49Å; D313-K316 WeakPolarHBondContact O-CB 3.48Å; D313-K316 PolarHBondContact O-N 3.44Å; D313-K316 WeakPolarHBondContact OD1-CE 3.1Å; D313-K316 IonicContact OD1-NZ 3.31Å; D313-K316 PolarHBondContact OD1-NZ 3.34Å; K316-L318 VanDerWaalsContact C-N 3.26Å; K316-L318 PolarHBondContact O-N 3.06Å; K316-L319 PolarHBondContact O-N 2.98Å; K316-L319 VanDerWaalsContact O-N 3.1Å; K316-D320 WeakPolarHBondContact O-CB 3.27Å; K316-D320 VanDerWaalsContact O-CG 3.31Å; K316-D320 PolarHBondContact O-N 3.24Å
317	P	92.8	Very high	89.9	Confident	49 Å²	49	47.4 Å²	47.4	32%	0.318	24%	0.243	S	C	.	.	H	α-helix	trans	-59.4	-36.1	-179.4	-23.2	33.8	0	0	0	113.9	Y315 M321 P587 V588	Y315-P317 VanDerWaalsContact C-CD 3.49Å; P317-M321 PolarHBondContact O-N 3.31Å; P317-P587 HydrophobicContact CB-CB 3.84Å; P317-P587 HydrophobicContact CG-CB 3.94Å; P317-V588 HydrophobicContact CB-CG2 4.26Å
318	L	93.5	Very high	90	Very high	1 Å²	1	51 Å²	51	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-72.6	-43.7	177	175.4	66.7	0	0	0	111.3	Y315 K316 D320 M321 I322 I329 I560 T564 I567 V588 L591	Y315-L318 WeakPolarHBondContact O-CB 3.43Å; Y315-L318 PolarHBondContact O-N 3.26Å; K316-L318 VanDerWaalsContact C-N 3.26Å; K316-L318 PolarHBondContact O-N 3.06Å; L318-D320 VanDerWaalsContact C-N 3.34Å; L318-M321 PolarHBondContact O-N 3.2Å; L318-I322 HydrophobicContact CD1-CD1 4.09Å; L318-I322 HydrophobicContact CD1-CG1 4.4Å; L318-I322 HydrophobicContact CG-CD1 3.91Å; L318-I322 VanDerWaalsContact O-CG1 3.3Å; L318-I322 WeakPolarHBondContact O-CG1 3.41Å; L318-I322 PolarHBondContact O-N 3.23Å; L318-I329 HydrophobicContact CD1-CD1 3.24Å; L318-I329 HydrophobicContact CD1-CG1 4.45Å; L318-I560 HydrophobicContact CD2-CG2 3.9Å; L318-T564 HydrophobicContact CD2-CG2 4.37Å; L318-T564 WeakPolarHBondContact CD2-OG1 3.36Å; L318-I567 HydrophobicContact CD1-CD1 4.07Å; L318-V588 HydrophobicContact CD1-CG1 4.17Å; L318-L591 HydrophobicContact CB-CD2 3.62Å; L318-L591 HydrophobicContact CD2-CD2 4.03Å; L318-L591 HydrophobicContact CG-CD2 4.42Å
319	L	93.3	Very high	90.3	Very high	4 Å²	4	50 Å²	50	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-64.4	-40.2	179.1	-67.8	173.3	0	0	0	111.4	L312 Y315 K316 I322 R323 F359 I552 I560	L312-L319 HydrophobicContact CD1-CD1 3.79Å; Y315-L319 WeakPolarHBondContact O-CG 3.44Å; Y315-L319 PolarHBondContact O-N 3.09Å; K316-L319 PolarHBondContact O-N 2.98Å; K316-L319 VanDerWaalsContact O-N 3.1Å; L319-I322 PolarHBondContact O-N 3.11Å; L319-R323 VanDerWaalsContact O-CB 3.29Å; L319-R323 WeakPolarHBondContact O-CB 3.44Å; L319-R323 PolarHBondContact O-N 3.42Å; L319-F359 HydrophobicContact CB-CZ 4.13Å; L319-F359 HydrophobicContact CD2-CE1 4.21Å; L319-F359 HydrophobicContact CD2-CZ 4.08Å; L319-F359 WeakPolarHBondContact O-CZ 3.4Å; L319-I552 HydrophobicContact CD1-CD1 4.15Å; L319-I560 HydrophobicContact CD1-CD1 3.95Å; L319-I560 HydrophobicContact CD2-CD1 3.92Å; L319-I560 HydrophobicContact CD2-CG1 4.29Å; L319-I560 HydrophobicContact CG-CD1 4.33Å
320	D	92.4	Very high	90.7	Very high	53 Å²	53	49.2 Å²	49.2	28%	0.283	26%	0.256	S	S	.	.	H	α-helix	trans	-61.5	-46.4	174.2	-70	-33.9	0	0	0	111	K316 L318 I322 R323 E324	K316-D320 WeakPolarHBondContact O-CB 3.27Å; K316-D320 VanDerWaalsContact O-CG 3.31Å; K316-D320 PolarHBondContact O-N 3.24Å; L318-D320 VanDerWaalsContact C-N 3.34Å; D320-I322 PolarHBondContact O-N 2.94Å; D320-R323 WeakPolarHBondContact O-CB 3.49Å; D320-R323 PolarHBondContact O-N 3.08Å; D320-R323 VanDerWaalsContact O-N 3.13Å; D320-R323 IonicContact OD1-CZ 3.99Å; D320-R323 IonicContact OD1-NE 2.91Å; D320-R323 IonicContact OD1-NH2 2.75Å; D320-R323 PolarHBondContact OD1-NH2 3.33Å; D320-E324 WeakPolarHBondContact O-CB 3.25Å; D320-E324 WeakPolarHBondContact O-CG 3.32Å; D320-E324 PolarHBondContact O-N 3.23Å
321	M	92.8	Very high	90.9	Very high	28 Å²	28	49.4 Å²	49.4	14%	0.138	26%	0.261	C	S	.	.	H	α-helix	trans	-63.3	-39.7	176.5	-169.4	172.7	-174.4	0	0	112.7	P317 L318 R323 C325 I329 L584 P585 V588	P317-M321 PolarHBondContact O-N 3.31Å; L318-M321 PolarHBondContact O-N 3.2Å; M321-R323 VanDerWaalsContact C-N 3.31Å; M321-C325 CarbonylContact O-C 3.51Å; M321-C325 VanDerWaalsContact O-C 3.23Å; M321-C325 WeakPolarHBondContact O-CA 3.43Å; M321-C325 PolarHBondContact O-N 3.01Å; M321-I329 HydrophobicContact CE-CB 4.16Å; M321-I329 HydrophobicContact CG-CB 4.35Å; M321-I329 HydrophobicContact CG-CD1 4.29Å; M321-I329 HydrophobicContact CG-CG2 4.39Å; M321-I329 HydrophobicContact SD-CB 4.22Å; M321-I329 HydrophobicContact SD-CD1 3.74Å; M321-I329 HydrophobicContact SD-CG1 4.46Å; M321-L584 HydrophobicContact CE-CD2 3.62Å; M321-L584 HydrophobicContact SD-CD2 4.1Å; M321-P585 HydrophobicContact SD-CG 4.15Å; M321-V588 HydrophobicContact SD-CG2 4.17Å
322	I	94.1	Very high	91	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-64.7	-37.4	174.4	-71.2	169	0	0	0	110.9	L318 L319 D320 P326 I329 F359 V363 L563	L318-I322 HydrophobicContact CD1-CD1 4.09Å; L318-I322 HydrophobicContact CD1-CG1 4.4Å; L318-I322 HydrophobicContact CG-CD1 3.91Å; L318-I322 VanDerWaalsContact O-CG1 3.3Å; L318-I322 WeakPolarHBondContact O-CG1 3.41Å; L318-I322 PolarHBondContact O-N 3.23Å; L319-I322 PolarHBondContact O-N 3.11Å; D320-I322 PolarHBondContact O-N 2.94Å; I322-P326 WeakPolarHBondContact O-CA 3.41Å; I322-P326 VanDerWaalsContact O-CB 3.23Å; I322-P326 WeakPolarHBondContact O-CB 3.42Å; I322-P326 VanDerWaalsContact O-CD 3.28Å; I322-P326 WeakPolarHBondContact O-CD 3.31Å; I322-I329 HydrophobicContact CG1-CG2 3.82Å; I322-F359 HydrophobicContact CG2-CE1 4.44Å; I322-V363 HydrophobicContact CG2-CB 4.49Å; I322-V363 HydrophobicContact CG2-CG1 3.76Å; I322-V363 HydrophobicContact CG2-CG2 3.84Å; I322-L563 HydrophobicContact CD1-CD2 3.9Å
323	R	92.5	Very high	91.3	Very high	87 Å²	87	45.4 Å²	45.4	33%	0.328	23%	0.231	S	C	.	.	H	α-helix	trans	-70.2	-44.1	178.6	179.2	173.7	58.6	146.9	-3.6	112.2	L319 D320 M321 F359 R366	L319-R323 VanDerWaalsContact O-CB 3.29Å; L319-R323 WeakPolarHBondContact O-CB 3.44Å; L319-R323 PolarHBondContact O-N 3.42Å; D320-R323 WeakPolarHBondContact O-CB 3.49Å; D320-R323 PolarHBondContact O-N 3.08Å; D320-R323 VanDerWaalsContact O-N 3.13Å; D320-R323 IonicContact OD1-CZ 3.99Å; D320-R323 IonicContact OD1-NE 2.91Å; D320-R323 IonicContact OD1-NH2 2.75Å; D320-R323 PolarHBondContact OD1-NH2 3.33Å; M321-R323 VanDerWaalsContact C-N 3.31Å; R323-F359 HydrophobicContact CB-CE2 3.89Å; R323-F359 HydrophobicContact CB-CZ 4.1Å; R323-F359 HydrophobicContact CG-CE2 4.32Å; R323-R366 VanDerWaalsContact O-CD 3.31Å; R323-R366 WeakPolarHBondContact O-CD 3.36Å; R323-R366 PolarHBondContact O-NE 2.72Å
324	E	91.1	Very high	91.7	Very high	107 Å²	107	41 Å²	41	50%	0.5	21%	0.208	S	C	.	.	H	α-helix	trans	-83.7	-48.5	-174.3	-68.4	177.1	-178	0	0	112.5	D320 R366	D320-E324 WeakPolarHBondContact O-CB 3.25Å; D320-E324 WeakPolarHBondContact O-CG 3.32Å; D320-E324 PolarHBondContact O-N 3.23Å; E324-R366 PolarHBondContact O-NH1 3.25Å
325	C	90.2	Very high	91.8	Very high	63 Å²	63	40.3 Å²	40.3	43%	0.426	21%	0.211	S	C	.	.			trans	-136.3	63.8	-173.9	-61.8	0	0	0	0	111.4	M321 S327 S328	M321-C325 CarbonylContact O-C 3.51Å; M321-C325 VanDerWaalsContact O-C 3.23Å; M321-C325 WeakPolarHBondContact O-CA 3.43Å; M321-C325 PolarHBondContact O-N 3.01Å; C325-S327 VanDerWaalsContact C-N 3.29Å; C325-S327 PolarHBondContact O-N 2.97Å; C325-S328 WeakPolarHBondContact O-CB 3.42Å; C325-S328 PolarHBondContact O-N 3.37Å
326	P	93.7	Very high	91.8	Very high	2 Å²	2	42 Å²	42	1%	0.013	22%	0.221	C	C	.	.	H	α-helix	trans	-58	-39.2	-174.5	17.3	-27.7	0	0	0	113.6	I322 S328 I329 L330 V363 R366 I367	I322-P326 WeakPolarHBondContact O-CA 3.41Å; I322-P326 VanDerWaalsContact O-CB 3.23Å; I322-P326 WeakPolarHBondContact O-CB 3.42Å; I322-P326 VanDerWaalsContact O-CD 3.28Å; I322-P326 WeakPolarHBondContact O-CD 3.31Å; P326-S328 VanDerWaalsContact C-N 3.27Å; P326-S328 PolarHBondContact O-N 3.38Å; P326-I329 PolarHBondContact O-N 2.92Å; P326-L330 HydrophobicContact CB-CD1 4.37Å; P326-L330 VanDerWaalsContact O-CB 3.3Å; P326-L330 WeakPolarHBondContact O-CB 3.43Å; P326-L330 WeakPolarHBondContact O-CG 3.4Å; P326-L330 PolarHBondContact O-N 2.8Å; P326-V363 HydrophobicContact CB-CG1 3.92Å; P326-V363 HydrophobicContact CG-CG1 4.36Å; P326-R366 HydrophobicContact CG-CB 3.81Å; P326-I367 HydrophobicContact CB-CD1 3.88Å; P326-I367 HydrophobicContact CB-CG1 3.69Å; P326-I367 HydrophobicContact CG-CD1 4.4Å; P326-I367 HydrophobicContact CG-CG1 3.76Å
327	S	90.8	Very high	91.9	Very high	29 Å²	29	37.4 Å²	37.4	20%	0.203	20%	0.202	C	C	.	.	H	α-helix	trans	-63.9	-32.4	179	-66.1	0	0	0	0	112.2	C325 I329 S331 D370	C325-S327 VanDerWaalsContact C-N 3.29Å; C325-S327 PolarHBondContact O-N 2.97Å; S327-I329 VanDerWaalsContact C-N 3.27Å; S327-I329 PolarHBondContact O-N 2.88Å; S327-S331 WeakPolarHBondContact O-CB 3.43Å; S327-S331 PolarHBondContact O-N 2.94Å; S327-S331 VanDerWaalsContact O-N 3.1Å; S327-S331 PolarHBondContact O-OG 3.47Å; S327-D370 VanDerWaalsContact CB-OD2 3.23Å; S327-D370 WeakPolarHBondContact CB-OD2 3.48Å; S327-D370 PolarHBondContact OG-OD2 3.22Å
328	S	88.2	Confident	91.9	Very high	75 Å²	75	37.6 Å²	37.6	52%	0.524	20%	0.203	S	C	.	.	H	α-helix	trans	-66.4	-28.4	178.6	-58.5	0	0	0	0	113.1	C325 P326	C325-S328 WeakPolarHBondContact O-CB 3.42Å; C325-S328 PolarHBondContact O-N 3.37Å; P326-S328 VanDerWaalsContact C-N 3.27Å; P326-S328 PolarHBondContact O-N 3.38Å
329	I	91.4	Very high	91.8	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-105.3	-27.3	-178.8	-168.1	162.7	0	0	0	114.1	L318 M321 I322 P326 S327 P333 I567 L584 V588	L318-I329 HydrophobicContact CD1-CD1 3.24Å; L318-I329 HydrophobicContact CD1-CG1 4.45Å; M321-I329 HydrophobicContact CE-CB 4.16Å; M321-I329 HydrophobicContact CG-CB 4.35Å; M321-I329 HydrophobicContact CG-CD1 4.29Å; M321-I329 HydrophobicContact CG-CG2 4.39Å; M321-I329 HydrophobicContact SD-CB 4.22Å; M321-I329 HydrophobicContact SD-CD1 3.74Å; M321-I329 HydrophobicContact SD-CG1 4.46Å; I322-I329 HydrophobicContact CG1-CG2 3.82Å; P326-I329 PolarHBondContact O-N 2.92Å; S327-I329 VanDerWaalsContact C-N 3.27Å; S327-I329 PolarHBondContact O-N 2.88Å; I329-P333 VanDerWaalsContact O-CD 3.27Å; I329-P333 WeakPolarHBondContact O-CD 3.38Å; I329-P333 VanDerWaalsContact O-CG 3.27Å; I329-P333 WeakPolarHBondContact O-CG 3.44Å; I329-I567 HydrophobicContact CD1-CD1 4.22Å; I329-I567 HydrophobicContact CG1-CD1 4.04Å; I329-I567 HydrophobicContact CG1-CG2 4.2Å; I329-L584 HydrophobicContact CD1-CD2 4.5Å; I329-L584 HydrophobicContact CG1-CD2 4.38Å; I329-V588 HydrophobicContact CD1-CG1 3.95Å
330	L	94.3	Very high	91.8	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-103.5	-21.7	-174.9	-58	178.5	0	0	0	114.3	P326 S334 I349 I367 L386 L563 I567	P326-L330 HydrophobicContact CB-CD1 4.37Å; P326-L330 VanDerWaalsContact O-CB 3.3Å; P326-L330 WeakPolarHBondContact O-CB 3.43Å; P326-L330 WeakPolarHBondContact O-CG 3.4Å; P326-L330 PolarHBondContact O-N 2.8Å; L330-S334 PolarHBondContact O-N 3.32Å; L330-I349 HydrophobicContact CD1-CD1 4.07Å; L330-I367 HydrophobicContact CD1-CD1 4.31Å; L330-L386 HydrophobicContact CB-CD1 3.98Å; L330-L386 HydrophobicContact CB-CD2 3.76Å; L330-L563 HydrophobicContact CD2-CD1 4.17Å; L330-I567 HydrophobicContact CD2-CD1 4.15Å; L330-I567 HydrophobicContact CD2-CG1 4.47Å
331	S	91	Very high	91.9	Very high	39 Å²	39	40.7 Å²	40.7	27%	0.273	23%	0.225	S	C	.	.	H	α-helix	trans	-65.4	-46.1	-176.6	64.8	0	0	0	0	111.9	S327 S334 Q335	S327-S331 WeakPolarHBondContact O-CB 3.43Å; S327-S331 PolarHBondContact O-N 2.94Å; S327-S331 VanDerWaalsContact O-N 3.1Å; S327-S331 PolarHBondContact O-OG 3.47Å; S331-S334 WeakPolarHBondContact O-CB 3.36Å; S331-S334 PolarHBondContact O-N 3.37Å; S331-S334 PolarHBondContact O-OG 2.93Å; S331-Q335 WeakPolarHBondContact O-CG 3.35Å; S331-Q335 PolarHBondContact O-N 2.92Å
332	W	87.1	Confident	92	Very high	54 Å²	54	42.2 Å²	42.2	21%	0.205	23%	0.231	C	C	.	.	H	α-helix	trans	-64.9	-50	-179.3	177.5	-99.6	0	0	0	113	S334 Q335 V336 R574	W332-S334 PolarHBondContact O-N 2.8Å; W332-S334 VanDerWaalsContact O-N 3.13Å; W332-Q335 WeakPolarHBondContact O-CB 3.3Å; W332-Q335 PolarHBondContact O-N 3.06Å; W332-V336 HydrophobicContact CD2-CG1 3.98Å; W332-V336 HydrophobicContact CE3-CG1 4.3Å; W332-V336 HydrophobicContact CH2-CG1 3.59Å; W332-V336 HydrophobicContact CZ2-CB 4.38Å; W332-V336 HydrophobicContact CZ2-CG1 3.17Å; W332-V336 HydrophobicContact CZ2-CG2 4.5Å; W332-V336 HydrophobicContact CZ3-CG1 4.12Å; W332-V336 PolarHBondContact O-N 3.29Å; W332-V336 VanDerWaalsContact O-N 3.15Å; W332-R574 VanDerWaalsContact CE2-NH1 3.32Å; W332-R574 HydrophobicContact CH2-CG 4.48Å; W332-R574 HydrophobicContact CZ2-CB 3.81Å; W332-R574 HydrophobicContact CZ2-CG 3.5Å
333	P	92.6	Very high	92	Very high	3 Å²	3	46 Å²	46	2%	0.019	25%	0.249	C	C	.	.	H	α-helix	trans	-49	-40	170.9	-27.8	31.2	0	0	0	113.3	I329 Q335 L337 M345 I567 S570	I329-P333 VanDerWaalsContact O-CD 3.27Å; I329-P333 WeakPolarHBondContact O-CD 3.38Å; I329-P333 VanDerWaalsContact O-CG 3.27Å; I329-P333 WeakPolarHBondContact O-CG 3.44Å; P333-Q335 PolarHBondContact O-N 3.45Å; P333-L337 HydrophobicContact CB-CD1 3.97Å; P333-L337 VanDerWaalsContact O-CB 3.22Å; P333-L337 WeakPolarHBondContact O-CB 3.34Å; P333-L337 WeakPolarHBondContact O-CD1 3.39Å; P333-L337 WeakPolarHBondContact O-CG 3.46Å; P333-L337 PolarHBondContact O-N 3.23Å; P333-L337 VanDerWaalsContact O-N 3.09Å; P333-M345 HydrophobicContact CB-CE 4.31Å; P333-M345 HydrophobicContact CB-SD 3.5Å; P333-M345 WeakPolarHBondContact CB-SD 3.42Å; P333-I567 HydrophobicContact CG-CG1 4.15Å; P333-S570 WeakPolarHBondContact CG-OG 3.33Å
334	S	93.2	Very high	92.2	Very high	12 Å²	12	42.2 Å²	42.2	8%	0.084	24%	0.235	C	C	.	.	H	α-helix	trans	-66.7	-18.3	178.3	83.6	0	0	0	0	114.9	L330 S331 W332 K342 Y346	L330-S334 PolarHBondContact O-N 3.32Å; S331-S334 WeakPolarHBondContact O-CB 3.36Å; S331-S334 PolarHBondContact O-N 3.37Å; S331-S334 PolarHBondContact O-OG 2.93Å; W332-S334 PolarHBondContact O-N 2.8Å; W332-S334 VanDerWaalsContact O-N 3.13Å; S334-K342 WeakPolarHBondContact O-CD 3.38Å; S334-Y346 WeakPolarHBondContact CB-OH 3.34Å
335	Q	90.6	Very high	92.5	Very high	131 Å²	131	37.1 Å²	37.1	61%	0.612	21%	0.211	S	C	*	.	H	α-helix	trans	-94.4	-39.4	-179.4	-68.1	171.2	4.9	0	0	112.3	S331 W332 P333	S331-Q335 WeakPolarHBondContact O-CG 3.35Å; S331-Q335 PolarHBondContact O-N 2.92Å; W332-Q335 WeakPolarHBondContact O-CB 3.3Å; W332-Q335 PolarHBondContact O-N 3.06Å; P333-Q335 PolarHBondContact O-N 3.45Å
336	V	91.9	Very high	92.8	Very high	34 Å²	34	34.8 Å²	34.8	21%	0.206	19%	0.193	C	C	.	.	H	α-helix	trans	-99.3	-23	-172.8	-60.6	0	0	0	0	115.3	W332 I573	W332-V336 HydrophobicContact CD2-CG1 3.98Å; W332-V336 HydrophobicContact CE3-CG1 4.3Å; W332-V336 HydrophobicContact CH2-CG1 3.59Å; W332-V336 HydrophobicContact CZ2-CB 4.38Å; W332-V336 HydrophobicContact CZ2-CG1 3.17Å; W332-V336 HydrophobicContact CZ2-CG2 4.5Å; W332-V336 HydrophobicContact CZ3-CG1 4.12Å; W332-V336 PolarHBondContact O-N 3.29Å; W332-V336 VanDerWaalsContact O-N 3.15Å; V336-I573 HydrophobicContact CB-CG2 4.45Å
337	L	93.4	Very high	92.9	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.031	20%	0.198	C	C	.	.	S	Bend	trans	-64.7	137.9	-179.9	-74.5	171.5	0	0	0	110.3	P333 L341 K342 M345 M566 I573	P333-L337 HydrophobicContact CB-CD1 3.97Å; P333-L337 VanDerWaalsContact O-CB 3.22Å; P333-L337 WeakPolarHBondContact O-CB 3.34Å; P333-L337 WeakPolarHBondContact O-CD1 3.39Å; P333-L337 WeakPolarHBondContact O-CG 3.46Å; P333-L337 PolarHBondContact O-N 3.23Å; P333-L337 VanDerWaalsContact O-N 3.09Å; L337-L341 HydrophobicContact CB-CB 4.37Å; L337-L341 HydrophobicContact CD2-CB 4.24Å; L337-L341 HydrophobicContact CD2-CD1 4.44Å; L337-K342 HydrophobicContact CB-CB 4Å; L337-M345 HydrophobicContact CD1-CB 4.32Å; L337-M345 HydrophobicContact CD1-SD 3.92Å; L337-M566 HydrophobicContact CD1-CB 4.27Å; L337-I573 HydrophobicContact CD2-CD1 4.38Å
338	P	92.4	Very high	93.1	Very high	52 Å²	52	34.1 Å²	34.1	34%	0.338	19%	0.188	S	C	.	.			trans	-50.8	146.3	167.2	-26.6	34.2	0	0	0	111.3	H340 L341 K342	P338-H340 PolarHBondContact O-N 2.78Å; P338-L341 HydrophobicContact CG-CD1 4.36Å; P338-L341 PolarHBondContact O-N 2.96Å; P338-K342 PolarHBondContact O-N 3.36Å
339	S	92.1	Very high	93.5	Very high	88 Å²	88	30.7 Å²	30.7	62%	0.615	16%	0.164	S	C	*	.	H	α-helix	trans	-47.7	-43.4	-172.4	-171.7	0	0	0	0	114.1	K342 Q343	S339-K342 PolarHBondContact O-N 3.07Å; S339-Q343 WeakPolarHBondContact O-CB 3.27Å; S339-Q343 PolarHBondContact O-N 3.4Å
340	H	92.1	Very high	93.7	Very high	21 Å²	21	30.7 Å²	30.7	10%	0.097	16%	0.164	C	C	.	.	H	α-helix	trans	-68.3	-40.9	179.9	66.4	-79.4	0	0	0	113.4	S190 E192 K243 V245 P338 Q343 F344	S190-H340 PolarHBondContact OG-NE2 3.26Å; E192-H340 IonicContact OE1-CE1 3.85Å; E192-H340 IonicContact OE2-CE1 3.83Å; K243-H340 HydrophobicContact CB-CB 3.71Å; K243-H340 HydrophobicContact CD-CB 4.26Å; K243-H340 WeakPolarHBondContact CD-ND1 3.47Å; V245-H340 HydrophobicContact CG2-CB 4.3Å; P338-H340 PolarHBondContact O-N 2.78Å; H340-Q343 PolarHBondContact O-N 3.18Å; H340-F344 PolarHBondContact O-N 2.92Å
341	L	94.4	Very high	93.6	Very high	14 Å²	14	30.6 Å²	30.6	7%	0.073	16%	0.164	C	C	.	.	H	α-helix	trans	-71.4	-37.4	175.4	-63.3	-173.5	0	0	0	111.7	V245 L337 P338 Q343 F344 M345 M566	V245-L341 HydrophobicContact CG2-CD2 4.03Å; L337-L341 HydrophobicContact CB-CB 4.37Å; L337-L341 HydrophobicContact CD2-CB 4.24Å; L337-L341 HydrophobicContact CD2-CD1 4.44Å; P338-L341 HydrophobicContact CG-CD1 4.36Å; P338-L341 PolarHBondContact O-N 2.96Å; L341-Q343 VanDerWaalsContact C-N 3.33Å; L341-Q343 PolarHBondContact O-N 3.5Å; L341-F344 CarbonylContact O-C 3.53Å; L341-F344 WeakPolarHBondContact O-CB 3.46Å; L341-F344 PolarHBondContact O-N 3.43Å; L341-M345 PolarHBondContact O-N 3.04Å; L341-M566 HydrophobicContact CB-SD 3.97Å; L341-M566 HydrophobicContact CD2-CE 4.33Å; L341-M566 HydrophobicContact CD2-SD 4.36Å
342	K	95.7	Very high	93.7	Very high	60 Å²	60	29.2 Å²	29.2	26%	0.261	15%	0.153	S	C	.	.	H	α-helix	trans	-59.8	-44.3	172	179.7	172.7	66.1	-176.1	0	111.5	S334 L337 P338 S339 F344 M345 Y346	S334-K342 WeakPolarHBondContact O-CD 3.38Å; L337-K342 HydrophobicContact CB-CB 4Å; P338-K342 PolarHBondContact O-N 3.36Å; S339-K342 PolarHBondContact O-N 3.07Å; K342-F344 VanDerWaalsContact C-N 3.3Å; K342-F344 PolarHBondContact O-N 3.48Å; K342-M345 WeakPolarHBondContact O-CB 3.47Å; K342-M345 PolarHBondContact O-N 3.14Å; K342-Y346 HydrophobicContact CD-CE2 4.23Å; K342-Y346 HydrophobicContact CG-CD2 4.38Å; K342-Y346 HydrophobicContact CG-CE1 4.38Å; K342-Y346 HydrophobicContact CG-CE2 3.68Å; K342-Y346 WeakPolarHBondContact O-CD2 3.31Å; K342-Y346 PolarHBondContact O-N 3.39Å
343	Q	94.6	Very high	94.1	Very high	83 Å²	83	26.7 Å²	26.7	39%	0.388	14%	0.144	S	C	.	.	H	α-helix	trans	-63.9	-36.8	175.2	-172.2	61.5	20.8	0	0	112.2	S339 H340 L341 Y346 T347	S339-Q343 WeakPolarHBondContact O-CB 3.27Å; S339-Q343 PolarHBondContact O-N 3.4Å; H340-Q343 PolarHBondContact O-N 3.18Å; L341-Q343 VanDerWaalsContact C-N 3.33Å; L341-Q343 PolarHBondContact O-N 3.5Å; Q343-Y346 PolarHBondContact O-N 3.26Å; Q343-T347 WeakPolarHBondContact O-CB 3.24Å; Q343-T347 PolarHBondContact O-N 3.06Å; Q343-T347 PolarHBondContact O-OG1 2.87Å
344	F	95.6	Very high	94	Very high	9 Å²	9	27.6 Å²	27.6	4%	0.039	15%	0.151	C	C	.	.	H	α-helix	trans	-67.6	-38.1	173.7	-177.3	-108.3	0	0	0	112.5	I188 V245 P247 H340 L341 K342 Y346 T347 C348 C562 M566	I188-F344 HydrophobicContact CD1-CE1 3.73Å; I188-F344 HydrophobicContact CD1-CZ 4.12Å; I188-F344 HydrophobicContact CG1-CE1 4.32Å; I188-F344 HydrophobicContact CG1-CZ 4.25Å; I188-F344 HydrophobicContact CG2-CE1 4.33Å; I188-F344 HydrophobicContact CG2-CZ 4.38Å; V245-F344 HydrophobicContact CB-CB 4.17Å; V245-F344 HydrophobicContact CB-CD2 4.13Å; V245-F344 HydrophobicContact CB-CG 4.2Å; V245-F344 HydrophobicContact CG1-CB 3.88Å; V245-F344 HydrophobicContact CG1-CD1 3.9Å; V245-F344 HydrophobicContact CG1-CD2 3.52Å; V245-F344 HydrophobicContact CG1-CE1 4.33Å; V245-F344 HydrophobicContact CG1-CE2 3.99Å; V245-F344 HydrophobicContact CG1-CG 3.47Å; V245-F344 VanDerWaalsContact CG1-CG 3.47Å; V245-F344 HydrophobicContact CG1-CZ 4.37Å; V245-F344 HydrophobicContact CG2-CB 4.33Å; P247-F344 HydrophobicContact CB-CE2 3.97Å; P247-F344 HydrophobicContact CB-CZ 4.09Å; P247-F344 HydrophobicContact CG-CE2 4.08Å; H340-F344 PolarHBondContact O-N 2.92Å; L341-F344 CarbonylContact O-C 3.53Å; L341-F344 WeakPolarHBondContact O-CB 3.46Å; L341-F344 PolarHBondContact O-N 3.43Å; K342-F344 VanDerWaalsContact C-N 3.3Å; K342-F344 PolarHBondContact O-N 3.48Å; F344-Y346 PolarHBondContact O-N 3.33Å; F344-T347 WeakPolarHBondContact O-CA 3.25Å; F344-T347 VanDerWaalsContact O-CB 3.25Å; F344-T347 WeakPolarHBondContact O-CB 3.46Å; F344-T347 PolarHBondContact O-N 3.03Å; F344-T347 VanDerWaalsContact O-N 3.13Å; F344-C348 PolarHBondContact O-N 2.73Å; F344-C348 PolarHBondContact O-SG 2.63Å; F344-C562 HydrophobicContact CE1-CB 4.05Å; F344-C562 HydrophobicContact CZ-CB 4.25Å; F344-M566 HydrophobicContact CD1-CE 4.36Å; F344-M566 HydrophobicContact CD1-CG 4.16Å; F344-M566 HydrophobicContact CD1-SD 3.97Å
345	M	96.9	Very high	93.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.5	-47	172	-176.5	-172.1	71.6	0	0	111.2	P333 L337 L341 K342 T347 C348 I349 L386 L563 M566	P333-M345 HydrophobicContact CB-CE 4.31Å; P333-M345 HydrophobicContact CB-SD 3.5Å; P333-M345 WeakPolarHBondContact CB-SD 3.42Å; L337-M345 HydrophobicContact CD1-CB 4.32Å; L337-M345 HydrophobicContact CD1-SD 3.92Å; L341-M345 PolarHBondContact O-N 3.04Å; K342-M345 WeakPolarHBondContact O-CB 3.47Å; K342-M345 PolarHBondContact O-N 3.14Å; M345-T347 PolarHBondContact O-N 2.94Å; M345-C348 WeakPolarHBondContact O-CB 3.27Å; M345-C348 PolarHBondContact O-N 3.26Å; M345-I349 HydrophobicContact CG-CD1 4.38Å; M345-I349 WeakPolarHBondContact O-CG1 3.44Å; M345-I349 PolarHBondContact O-N 2.82Å; M345-I349 VanDerWaalsContact O-N 3.07Å; M345-L386 HydrophobicContact CE-CD1 4.48Å; M345-L563 HydrophobicContact CG-CD1 3.64Å; M345-L563 HydrophobicContact SD-CD1 4.5Å; M345-M566 HydrophobicContact CB-CB 4.3Å; M345-M566 HydrophobicContact CB-CG 4.23Å; M345-M566 HydrophobicContact CG-CB 4.32Å
346	Y	97.5	Very high	93.7	Very high	13 Å²	13	23.2 Å²	23.2	5%	0.051	13%	0.131	C	C	.	.	H	α-helix	trans	-62.7	-33.5	174.6	-59.3	-28.7	0	0	0	112.5	S334 K342 Q343 F344 I349 S350 L386 I390	S334-Y346 WeakPolarHBondContact CB-OH 3.34Å; K342-Y346 HydrophobicContact CD-CE2 4.23Å; K342-Y346 HydrophobicContact CG-CD2 4.38Å; K342-Y346 HydrophobicContact CG-CE1 4.38Å; K342-Y346 HydrophobicContact CG-CE2 3.68Å; K342-Y346 WeakPolarHBondContact O-CD2 3.31Å; K342-Y346 PolarHBondContact O-N 3.39Å; Q343-Y346 PolarHBondContact O-N 3.26Å; F344-Y346 PolarHBondContact O-N 3.33Å; Y346-I349 PolarHBondContact O-N 3.43Å; Y346-S350 VanDerWaalsContact O-CB 3.25Å; Y346-S350 WeakPolarHBondContact O-CB 3.45Å; Y346-S350 PolarHBondContact O-N 2.89Å; Y346-L386 HydrophobicContact CE1-CD1 3.93Å; Y346-I390 HydrophobicContact CD1-CG1 3.85Å; Y346-I390 HydrophobicContact CE1-CG1 4.26Å
347	T	95.1	Very high	93.6	Very high	18 Å²	18	22.8 Å²	22.8	11%	0.11	13%	0.129	C	C	.	.	H	α-helix	trans	-62.3	-45.6	173.1	-64.7	0	0	0	0	111.2	Q343 F344 M345 I349 S350 H351 Q393	Q343-T347 WeakPolarHBondContact O-CB 3.24Å; Q343-T347 PolarHBondContact O-N 3.06Å; Q343-T347 PolarHBondContact O-OG1 2.87Å; F344-T347 WeakPolarHBondContact O-CA 3.25Å; F344-T347 VanDerWaalsContact O-CB 3.25Å; F344-T347 WeakPolarHBondContact O-CB 3.46Å; F344-T347 PolarHBondContact O-N 3.03Å; F344-T347 VanDerWaalsContact O-N 3.13Å; M345-T347 PolarHBondContact O-N 2.94Å; T347-I349 PolarHBondContact O-N 3.35Å; T347-S350 WeakPolarHBondContact O-CB 3.21Å; T347-S350 PolarHBondContact O-N 3.37Å; T347-H351 WeakPolarHBondContact CG2-CE1 3.4Å; T347-H351 WeakPolarHBondContact CG2-NE2 3.32Å; T347-H351 PolarHBondContact O-CD2 3.24Å; T347-H351 PolarHBondContact O-N 2.97Å; T347-Q393 PolarHBondContact OG1-NE2 3.44Å
348	C	95.3	Very high	93.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60	-45.5	176	-63.1	0	0	0	0	111.6	F344 M345 S350 H351 L352 L563	F344-C348 PolarHBondContact O-N 2.73Å; F344-C348 PolarHBondContact O-SG 2.63Å; M345-C348 WeakPolarHBondContact O-CB 3.27Å; M345-C348 PolarHBondContact O-N 3.26Å; C348-S350 VanDerWaalsContact C-N 3.32Å; C348-S350 PolarHBondContact O-N 3.21Å; C348-H351 WeakPolarHBondContact O-CB 3.49Å; C348-H351 PolarHBondContact O-N 2.88Å; C348-L352 WeakPolarHBondContact O-CG 3.29Å; C348-L352 PolarHBondContact O-N 3.46Å; C348-L563 HydrophobicContact CB-CB 4.4Å
349	I	96	Very high	93.3	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-62.4	-40.9	176.9	-65	170.1	0	0	0	111	L330 M345 Y346 T347 L352 Y353 M360 I390 L563	L330-I349 HydrophobicContact CD1-CD1 4.07Å; M345-I349 HydrophobicContact CG-CD1 4.38Å; M345-I349 WeakPolarHBondContact O-CG1 3.44Å; M345-I349 PolarHBondContact O-N 2.82Å; M345-I349 VanDerWaalsContact O-N 3.07Å; Y346-I349 PolarHBondContact O-N 3.43Å; T347-I349 PolarHBondContact O-N 3.35Å; I349-L352 PolarHBondContact O-N 2.88Å; I349-Y353 PolarHBondContact O-N 3.46Å; I349-M360 HydrophobicContact CG2-CE 3.61Å; I349-I390 HydrophobicContact CD1-CD1 3.81Å; I349-I390 HydrophobicContact CD1-CG1 3.94Å; I349-I390 HydrophobicContact CG2-CB 4.49Å; I349-I390 HydrophobicContact CG2-CD1 4.12Å; I349-I390 HydrophobicContact CG2-CG1 4.05Å; I349-I390 HydrophobicContact CG2-CG2 3.66Å; I349-L563 HydrophobicContact CD1-CD1 4.41Å; I349-L563 HydrophobicContact CG1-CD1 4.17Å; I349-L563 HydrophobicContact CG1-CD2 4.32Å
350	S	95.6	Very high	93.3	Very high	4 Å²	4	22.6 Å²	22.6	3%	0.028	11%	0.113	C	C	.	.	H	α-helix	trans	-64.5	-38.2	176.2	178	0	0	0	0	112.3	Y346 T347 C348 Y353 A354 Q393 C394 H397	Y346-S350 VanDerWaalsContact O-CB 3.25Å; Y346-S350 WeakPolarHBondContact O-CB 3.45Å; Y346-S350 PolarHBondContact O-N 2.89Å; T347-S350 WeakPolarHBondContact O-CB 3.21Å; T347-S350 PolarHBondContact O-N 3.37Å; C348-S350 VanDerWaalsContact C-N 3.32Å; C348-S350 PolarHBondContact O-N 3.21Å; S350-Y353 PolarHBondContact O-N 3Å; S350-A354 WeakPolarHBondContact O-CB 3.42Å; S350-A354 PolarHBondContact O-N 3.16Å; S350-Q393 PolarHBondContact OG-O 3.41Å; S350-C394 WeakPolarHBondContact OG-CA 3.43Å; S350-H397 PolarHBondContact OG-ND1 3.32Å
351	H	93.5	Very high	93.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.7	-44.4	172.9	-62.4	166.3	0	0	0	111.9	W116 Y149 L153 T347 C348 Y353 A354 L355 H397 W559	W116-H351 AromaticContact CH2-CE1 3.81Å; Y149-H351 AromaticContact CE1-CD2 3.76Å; Y149-H351 AromaticContact CE1-NE2 3.6Å; Y149-H351 AromaticContact CZ-NE2 3.67Å; Y149-H351 PolarHBondContact OH-NE2 3.48Å; L153-H351 HydrophobicContact CD1-CB 4.11Å; L153-H351 HydrophobicContact CD2-CB 4.4Å; L153-H351 VanDerWaalsContact CD2-CD2 3.5Å; L153-H351 WeakPolarHBondContact CD2-CD2 3.36Å; T347-H351 WeakPolarHBondContact CG2-CE1 3.4Å; T347-H351 WeakPolarHBondContact CG2-NE2 3.32Å; T347-H351 PolarHBondContact O-CD2 3.24Å; T347-H351 PolarHBondContact O-N 2.97Å; C348-H351 WeakPolarHBondContact O-CB 3.49Å; C348-H351 PolarHBondContact O-N 2.88Å; H351-Y353 VanDerWaalsContact C-N 3.28Å; H351-Y353 PolarHBondContact O-N 2.98Å; H351-A354 PolarHBondContact O-N 3.44Å; H351-L355 WeakPolarHBondContact O-CB 3.35Å; H351-L355 WeakPolarHBondContact O-CD1 3.38Å; H351-L355 VanDerWaalsContact O-CG 3.27Å; H351-L355 WeakPolarHBondContact O-CG 3.32Å; H351-L355 PolarHBondContact O-N 2.84Å; H351-H397 AromaticContact CD2-CE1 3.9Å; H351-H397 AromaticContact NE2-CE1 3.7Å; H351-W559 HydrophobicContact CB-CB 4.49Å; H351-W559 HydrophobicContact CB-CD2 3.95Å; H351-W559 HydrophobicContact CB-CG 3.81Å; H351-W559 AromaticContact CE1-CH2 3.66Å; H351-W559 AromaticContact CE1-CZ2 3.83Å; H351-W559 AromaticContact CE1-CZ3 3.86Å; H351-W559 AromaticContact CG-CE2 3.96Å; H351-W559 AromaticContact ND1-CD2 3.34Å; H351-W559 VanDerWaalsContact ND1-CD2 3.34Å; H351-W559 AromaticContact ND1-CE2 3.31Å; H351-W559 VanDerWaalsContact ND1-CE2 3.31Å; H351-W559 AromaticContact ND1-CE3 3.38Å; H351-W559 AromaticContact ND1-CH2 3.45Å; H351-W559 WeakPolarHBondContact ND1-CH2 3.43Å; H351-W559 AromaticContact ND1-CZ2 3.38Å; H351-W559 WeakPolarHBondContact ND1-CZ2 3.14Å; H351-W559 AromaticContact ND1-CZ3 3.44Å; H351-W559 WeakPolarHBondContact ND1-CZ3 2.85Å
352	L	93.2	Very high	93.4	Very high	9 Å²	9	25 Å²	25	5%	0.047	13%	0.126	C	C	.	.	H	α-helix	trans	-59.4	-40.2	173.9	-67.6	171.3	0	0	0	111.2	C348 I349 L355 N356 M360 V555 W559 I560 L563	C348-L352 WeakPolarHBondContact O-CG 3.29Å; C348-L352 PolarHBondContact O-N 3.46Å; I349-L352 PolarHBondContact O-N 2.88Å; L352-L355 PolarHBondContact O-N 2.92Å; L352-N356 CarbonylContact O-C 3.23Å; L352-N356 WeakPolarHBondContact O-CA 3.45Å; L352-N356 PolarHBondContact O-N 3.16Å; L352-M360 HydrophobicContact CB-CG 3.92Å; L352-M360 HydrophobicContact CB-SD 4.01Å; L352-V555 HydrophobicContact CD2-CG1 3.92Å; L352-W559 HydrophobicContact CD2-CB 3.91Å; L352-W559 HydrophobicContact CG-CB 4.03Å; L352-I560 HydrophobicContact CD2-CG1 3.93Å; L352-L563 HydrophobicContact CD1-CD2 4.06Å
353	Y	94.1	Very high	93.3	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.008	11%	0.113	C	C	.	.	H	α-helix	trans	-65.7	-41.6	176	176.3	-109.4	0	0	0	112.4	I349 S350 H351 L355 P357 M360 I364 C394 L398 L445 L449	I349-Y353 PolarHBondContact O-N 3.46Å; S350-Y353 PolarHBondContact O-N 3Å; H351-Y353 VanDerWaalsContact C-N 3.28Å; H351-Y353 PolarHBondContact O-N 2.98Å; Y353-L355 VanDerWaalsContact C-N 3.27Å; Y353-L355 PolarHBondContact O-N 2.92Å; Y353-P357 HydrophobicContact CD2-CB 4.4Å; Y353-P357 HydrophobicContact CE2-CB 4.12Å; Y353-P357 WeakPolarHBondContact O-CA 3.5Å; Y353-P357 WeakPolarHBondContact O-CB 3.28Å; Y353-M360 HydrophobicContact CD2-CB 3.78Å; Y353-M360 HydrophobicContact CG-CB 4.39Å; Y353-I364 HydrophobicContact CD2-CD1 3.68Å; Y353-I364 HydrophobicContact CE2-CD1 4.17Å; Y353-I364 HydrophobicContact CG-CD1 4.03Å; Y353-C394 HydrophobicContact CD1-CB 4.18Å; Y353-L398 HydrophobicContact CE1-CD1 4.4Å; Y353-L445 HydrophobicContact CE1-CB 4.07Å; Y353-L445 HydrophobicContact CE1-CD2 4.4Å; Y353-L445 PolarHBondContact OH-O 2.88Å; Y353-L449 HydrophobicContact CE1-CB 4.37Å; Y353-L449 HydrophobicContact CE1-CD2 4.37Å; Y353-L449 PolarHBondContact OH-N 3.46Å
354	A	91.2	Very high	93.4	Very high	21 Å²	21	18.3 Å²	18.3	17%	0.174	10%	0.095	C	C	.	.	H	α-helix	trans	-64.9	-31.5	178.5	0	0	0	0	0	113.2	T150 L153 S350 H351	T150-A354 HydrophobicContact CG2-CB 4.2Å; L153-A354 HydrophobicContact CD1-CB 3.71Å; S350-A354 WeakPolarHBondContact O-CB 3.42Å; S350-A354 PolarHBondContact O-N 3.16Å; H351-A354 PolarHBondContact O-N 3.44Å
355	L	87.4	Confident	93.4	Very high	35 Å²	35	20.1 Å²	20.1	18%	0.183	10%	0.102	C	C	.	.	H	α-helix	trans	-96.1	-37.4	-174.6	-65.4	166.6	0	0	0	112.8	L153 K154 H351 L352 Y353 H556	L153-L355 HydrophobicContact CB-CD1 4.44Å; L153-L355 HydrophobicContact CB-CD2 4.08Å; L153-L355 HydrophobicContact CB-CG 4.46Å; L153-L355 HydrophobicContact CD1-CG 4.43Å; K154-L355 HydrophobicContact CG-CD2 4.35Å; H351-L355 WeakPolarHBondContact O-CB 3.35Å; H351-L355 WeakPolarHBondContact O-CD1 3.38Å; H351-L355 VanDerWaalsContact O-CG 3.27Å; H351-L355 WeakPolarHBondContact O-CG 3.32Å; H351-L355 PolarHBondContact O-N 2.84Å; L352-L355 PolarHBondContact O-N 2.92Å; Y353-L355 VanDerWaalsContact C-N 3.27Å; Y353-L355 PolarHBondContact O-N 2.92Å; L355-H556 HydrophobicContact CD1-CB 3.85Å; L355-H556 VanDerWaalsContact CD1-CD2 3.43Å; L355-H556 WeakPolarHBondContact CD1-CD2 3.5Å; L355-H556 VanDerWaalsContact CD1-CG 3.43Å; L355-H556 WeakPolarHBondContact CD2-NE2 3.49Å
356	N	89.2	Confident	93.4	Very high	16 Å²	16	25.8 Å²	25.8	9%	0.086	12%	0.123	C	C	.	.			trans	-131	75	175.3	-166.2	-28.6	0	0	0	110.7	L352 Q358 F359 M360 V555	L352-N356 CarbonylContact O-C 3.23Å; L352-N356 WeakPolarHBondContact O-CA 3.45Å; L352-N356 PolarHBondContact O-N 3.16Å; N356-Q358 VanDerWaalsContact C-N 3.27Å; N356-Q358 PolarHBondContact O-N 3.32Å; N356-F359 WeakPolarHBondContact OD1-CB 3.44Å; N356-F359 PolarHBondContact OD1-N 2.92Å; N356-F359 VanDerWaalsContact OD1-N 3.16Å; N356-M360 PolarHBondContact O-N 3.04Å; N356-V555 HydrophobicContact CB-CG2 4.02Å; N356-V555 WeakPolarHBondContact ND2-CG2 3.45Å
357	P	90.6	Very high	93.3	Very high	26 Å²	26	25.4 Å²	25.4	17%	0.169	12%	0.122	C	C	.	.	H	α-helix	trans	-67.7	-27	-176.3	26.8	-35.8	0	0	0	112.9	Y353 S361 L445	Y353-P357 HydrophobicContact CD2-CB 4.4Å; Y353-P357 HydrophobicContact CE2-CB 4.12Å; Y353-P357 WeakPolarHBondContact O-CA 3.5Å; Y353-P357 WeakPolarHBondContact O-CB 3.28Å; P357-S361 WeakPolarHBondContact O-CB 3.49Å; P357-S361 PolarHBondContact O-N 3.38Å; P357-S361 PolarHBondContact O-OG 3.32Å; P357-L445 HydrophobicContact CB-CD2 3.53Å; P357-L445 HydrophobicContact CG-CD2 3.87Å
358	Q	88.8	Confident	93.3	Very high	115 Å²	115	24.5 Å²	24.5	54%	0.537	12%	0.117	S	C	.	.	H	α-helix	trans	-66.1	-51.1	-179.2	-69.7	174.3	-10.8	0	0	111.2	N356	N356-Q358 VanDerWaalsContact C-N 3.27Å; N356-Q358 PolarHBondContact O-N 3.32Å
359	F	89.9	Confident	93.3	Very high	23 Å²	23	27.4 Å²	27.4	10%	0.101	13%	0.132	C	C	.	.	H	α-helix	trans	-61.2	-51.5	175.8	175.4	-94.6	0	0	0	111	L319 I322 R323 N356 S361 Q362 V363 I552	L319-F359 HydrophobicContact CB-CZ 4.13Å; L319-F359 HydrophobicContact CD2-CE1 4.21Å; L319-F359 HydrophobicContact CD2-CZ 4.08Å; L319-F359 WeakPolarHBondContact O-CZ 3.4Å; I322-F359 HydrophobicContact CG2-CE1 4.44Å; R323-F359 HydrophobicContact CB-CE2 3.89Å; R323-F359 HydrophobicContact CB-CZ 4.1Å; R323-F359 HydrophobicContact CG-CE2 4.32Å; N356-F359 WeakPolarHBondContact OD1-CB 3.44Å; N356-F359 PolarHBondContact OD1-N 2.92Å; N356-F359 VanDerWaalsContact OD1-N 3.16Å; F359-S361 VanDerWaalsContact C-N 3.33Å; F359-S361 PolarHBondContact O-N 3.45Å; F359-Q362 PolarHBondContact O-N 3.17Å; F359-V363 HydrophobicContact CD1-CG2 4.35Å; F359-V363 HydrophobicContact CE1-CG2 3.96Å; F359-V363 HydrophobicContact CZ-CG2 4.29Å; F359-I552 HydrophobicContact CD2-CG1 4.45Å
360	M	93.6	Very high	93.1	Very high	4 Å²	4	31 Å²	31	2%	0.02	15%	0.151	C	C	.	.	H	α-helix	trans	-71.6	-23.6	-173.9	-71.3	-55.6	-55.5	0	0	114	I349 L352 Y353 N356 Q362 V363 I364	I349-M360 HydrophobicContact CG2-CE 3.61Å; L352-M360 HydrophobicContact CB-CG 3.92Å; L352-M360 HydrophobicContact CB-SD 4.01Å; Y353-M360 HydrophobicContact CD2-CB 3.78Å; Y353-M360 HydrophobicContact CG-CB 4.39Å; N356-M360 PolarHBondContact O-N 3.04Å; M360-Q362 VanDerWaalsContact C-N 3.32Å; M360-Q362 PolarHBondContact O-N 3.04Å; M360-V363 HydrophobicContact CE-CB 4.16Å; M360-V363 HydrophobicContact CE-CG1 3.96Å; M360-V363 PolarHBondContact O-N 2.92Å; M360-V363 HydrophobicContact SD-CB 4.48Å; M360-V363 HydrophobicContact SD-CG2 4.32Å; M360-I364 WeakPolarHBondContact O-CB 3.3Å; M360-I364 VanDerWaalsContact O-CG1 3.24Å; M360-I364 WeakPolarHBondContact O-CG1 3.31Å; M360-I364 PolarHBondContact O-N 3.42Å
361	S	94.4	Very high	92.9	Very high	12 Å²	12	32.8 Å²	32.8	8%	0.084	16%	0.16	C	C	.	.	H	α-helix	trans	-61.4	-40	173.6	-82	0	0	0	0	112.3	P357 F359 R365 R448 I452	P357-S361 WeakPolarHBondContact O-CB 3.49Å; P357-S361 PolarHBondContact O-N 3.38Å; P357-S361 PolarHBondContact O-OG 3.32Å; F359-S361 VanDerWaalsContact C-N 3.33Å; F359-S361 PolarHBondContact O-N 3.45Å; S361-R365 VanDerWaalsContact O-CB 3.29Å; S361-R365 WeakPolarHBondContact O-CB 3.4Å; S361-R365 PolarHBondContact O-N 3.26Å; S361-R448 WeakPolarHBondContact OG-CD 3.25Å; S361-I452 VanDerWaalsContact OG-CD1 3.29Å; S361-I452 WeakPolarHBondContact OG-CD1 3.13Å
362	Q	92.4	Very high	92.8	Very high	74 Å²	74	32.9 Å²	32.9	35%	0.346	16%	0.16	S	C	.	.	H	α-helix	trans	-68.7	-40.4	177.5	-61.7	-60.9	-7.2	0	0	111.7	F359 M360 R365 R366	F359-Q362 PolarHBondContact O-N 3.17Å; M360-Q362 VanDerWaalsContact C-N 3.32Å; M360-Q362 PolarHBondContact O-N 3.04Å; Q362-R365 WeakPolarHBondContact O-CB 3.32Å; Q362-R365 PolarHBondContact O-N 3.22Å; Q362-R366 PolarHBondContact O-N 3.35Å; Q362-R366 VanDerWaalsContact O-N 3.1Å
363	V	95	Very high	92.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.6	-51.7	174.2	175.8	0	0	0	0	110.7	I322 P326 F359 M360 R365 R366 I367	I322-V363 HydrophobicContact CG2-CB 4.49Å; I322-V363 HydrophobicContact CG2-CG1 3.76Å; I322-V363 HydrophobicContact CG2-CG2 3.84Å; P326-V363 HydrophobicContact CB-CG1 3.92Å; P326-V363 HydrophobicContact CG-CG1 4.36Å; F359-V363 HydrophobicContact CD1-CG2 4.35Å; F359-V363 HydrophobicContact CE1-CG2 3.96Å; F359-V363 HydrophobicContact CZ-CG2 4.29Å; M360-V363 HydrophobicContact CE-CB 4.16Å; M360-V363 HydrophobicContact CE-CG1 3.96Å; M360-V363 PolarHBondContact O-N 2.92Å; M360-V363 HydrophobicContact SD-CB 4.48Å; M360-V363 HydrophobicContact SD-CG2 4.32Å; V363-R365 VanDerWaalsContact C-N 3.33Å; V363-R365 PolarHBondContact O-N 3.45Å; V363-R366 PolarHBondContact O-N 2.77Å; V363-I367 HydrophobicContact CG1-CD1 3.96Å; V363-I367 WeakPolarHBondContact O-CG1 3.39Å; V363-I367 PolarHBondContact O-N 3.22Å; V363-I367 VanDerWaalsContact O-N 3.09Å
364	I	96.4	Very high	92.2	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-63.9	-39.4	-179.4	-69.1	167.8	0	0	0	111.1	Y353 M360 R366 I367 I368 I390 I391 L449	Y353-I364 HydrophobicContact CD2-CD1 3.68Å; Y353-I364 HydrophobicContact CE2-CD1 4.17Å; Y353-I364 HydrophobicContact CG-CD1 4.03Å; M360-I364 WeakPolarHBondContact O-CB 3.3Å; M360-I364 VanDerWaalsContact O-CG1 3.24Å; M360-I364 WeakPolarHBondContact O-CG1 3.31Å; M360-I364 PolarHBondContact O-N 3.42Å; I364-R366 PolarHBondContact O-N 2.94Å; I364-I367 PolarHBondContact O-N 3.3Å; I364-I368 HydrophobicContact CG2-CD1 3.66Å; I364-I368 HydrophobicContact CG2-CG1 4.24Å; I364-I368 WeakPolarHBondContact O-CB 3.29Å; I364-I368 VanDerWaalsContact O-CG1 3.31Å; I364-I368 WeakPolarHBondContact O-CG1 3.46Å; I364-I368 PolarHBondContact O-N 3.34Å; I364-I390 HydrophobicContact CD1-CG2 4.34Å; I364-I390 HydrophobicContact CG1-CG2 4.17Å; I364-I391 HydrophobicContact CG2-CG1 4.43Å; I364-L449 HydrophobicContact CD1-CD1 4Å; I364-L449 HydrophobicContact CG2-CD1 3.68Å
365	R	96.4	Very high	91.9	Very high	48 Å²	48	42.3 Å²	42.3	18%	0.181	22%	0.217	C	C	.	.	H	α-helix	trans	-56.2	-49.2	175.1	-178.6	-177.9	-60.2	-70.6	12.4	111.6	S361 Q362 V363 I368 N369 I452 E455	S361-R365 VanDerWaalsContact O-CB 3.29Å; S361-R365 WeakPolarHBondContact O-CB 3.4Å; S361-R365 PolarHBondContact O-N 3.26Å; Q362-R365 WeakPolarHBondContact O-CB 3.32Å; Q362-R365 PolarHBondContact O-N 3.22Å; V363-R365 VanDerWaalsContact C-N 3.33Å; V363-R365 PolarHBondContact O-N 3.45Å; R365-I368 PolarHBondContact O-N 3.28Å; R365-N369 PolarHBondContact O-N 2.96Å; R365-I452 HydrophobicContact CB-CG2 3.81Å; R365-I452 HydrophobicContact CG-CG2 4.28Å; R365-E455 IonicContact CZ-OE1 3.7Å; R365-E455 VanDerWaalsContact CZ-OE1 3.31Å; R365-E455 IonicContact CZ-OE2 3.88Å; R365-E455 IonicContact NH1-OE1 3.88Å; R365-E455 PolarHBondContact NH1-OE1 3.35Å; R365-E455 IonicContact NH1-OE2 3.51Å; R365-E455 PolarHBondContact NH1-OE2 2.86Å; R365-E455 IonicContact NH2-OE1 3.94Å; R365-E455 PolarHBondContact NH2-OE1 3.1Å; R365-E455 IonicContact NH2-OE2 3.8Å; R365-E455 PolarHBondContact NH2-OE2 3.06Å
366	R	95.6	Very high	91.8	Very high	118 Å²	118	44.3 Å²	44.3	45%	0.445	23%	0.231	S	C	.	.	H	α-helix	trans	-60.4	-46.8	176.9	-70.2	-178.1	-175.1	-127.9	-1.2	111.7	R323 E324 P326 Q362 V363 I364 I368 N369 D370	R323-R366 VanDerWaalsContact O-CD 3.31Å; R323-R366 WeakPolarHBondContact O-CD 3.36Å; R323-R366 PolarHBondContact O-NE 2.72Å; E324-R366 PolarHBondContact O-NH1 3.25Å; P326-R366 HydrophobicContact CG-CB 3.81Å; Q362-R366 PolarHBondContact O-N 3.35Å; Q362-R366 VanDerWaalsContact O-N 3.1Å; V363-R366 PolarHBondContact O-N 2.77Å; I364-R366 PolarHBondContact O-N 2.94Å; R366-I368 VanDerWaalsContact C-N 3.3Å; R366-I368 PolarHBondContact O-N 2.88Å; R366-N369 PolarHBondContact O-N 2.89Å; R366-N369 VanDerWaalsContact O-N 3.15Å; R366-D370 VanDerWaalsContact O-CG 3.28Å; R366-D370 PolarHBondContact O-N 2.92Å
367	I	95.9	Very high	91.5	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-59.3	-39.8	177.9	-67.8	170.2	0	0	0	112	P326 L330 V363 I364 I371 L386 A387 I390	P326-I367 HydrophobicContact CB-CD1 3.88Å; P326-I367 HydrophobicContact CB-CG1 3.69Å; P326-I367 HydrophobicContact CG-CD1 4.4Å; P326-I367 HydrophobicContact CG-CG1 3.76Å; L330-I367 HydrophobicContact CD1-CD1 4.31Å; V363-I367 HydrophobicContact CG1-CD1 3.96Å; V363-I367 WeakPolarHBondContact O-CG1 3.39Å; V363-I367 PolarHBondContact O-N 3.22Å; V363-I367 VanDerWaalsContact O-N 3.09Å; I364-I367 PolarHBondContact O-N 3.3Å; I367-I371 PolarHBondContact O-N 2.94Å; I367-L386 HydrophobicContact CD1-CD2 4.29Å; I367-L386 HydrophobicContact CG1-CD2 4.35Å; I367-L386 HydrophobicContact CG2-CD2 4.22Å; I367-L386 HydrophobicContact CG2-CG 4.13Å; I367-A387 HydrophobicContact CG2-CB 3.63Å; I367-I390 HydrophobicContact CD1-CD1 3.65Å
368	I	95.7	Very high	91	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66.5	-44.3	176.3	-75.2	171.4	0	0	0	110.9	I364 R365 R366 D370 I371 L372 F381 I391 I452 A453 C456	I364-I368 HydrophobicContact CG2-CD1 3.66Å; I364-I368 HydrophobicContact CG2-CG1 4.24Å; I364-I368 WeakPolarHBondContact O-CB 3.29Å; I364-I368 VanDerWaalsContact O-CG1 3.31Å; I364-I368 WeakPolarHBondContact O-CG1 3.46Å; I364-I368 PolarHBondContact O-N 3.34Å; R365-I368 PolarHBondContact O-N 3.28Å; R366-I368 VanDerWaalsContact C-N 3.3Å; R366-I368 PolarHBondContact O-N 2.88Å; I368-D370 PolarHBondContact O-N 3.28Å; I368-I371 WeakPolarHBondContact O-CG2 3.4Å; I368-I371 PolarHBondContact O-N 2.93Å; I368-L372 HydrophobicContact CG2-CD1 3.72Å; I368-L372 HydrophobicContact CG2-CG 4.31Å; I368-L372 WeakPolarHBondContact O-CB 3.28Å; I368-L372 VanDerWaalsContact O-CG 3.28Å; I368-L372 WeakPolarHBondContact O-CG 3.42Å; I368-L372 PolarHBondContact O-N 3.41Å; I368-F381 HydrophobicContact CG2-CZ 4.09Å; I368-I391 HydrophobicContact CD1-CD1 3.61Å; I368-I391 HydrophobicContact CD1-CG1 4.35Å; I368-I391 HydrophobicContact CG1-CD1 3.61Å; I368-I452 HydrophobicContact CD1-CG2 4.07Å; I368-A453 HydrophobicContact CD1-CB 4.12Å; I368-C456 HydrophobicContact CB-CB 4.39Å; I368-C456 HydrophobicContact CG2-CB 3.3Å
369	N	94.4	Very high	90.8	Very high	61 Å²	61	47.7 Å²	47.7	33%	0.326	25%	0.252	S	S	.	.	H	α-helix	trans	-60.9	-45	177.4	-77.2	-24.7	0	0	0	111.5	R365 R366 I371 L372 V373 C456	R365-N369 PolarHBondContact O-N 2.96Å; R366-N369 PolarHBondContact O-N 2.89Å; R366-N369 VanDerWaalsContact O-N 3.15Å; N369-I371 VanDerWaalsContact C-N 3.31Å; N369-I371 PolarHBondContact O-N 3.44Å; N369-L372 PolarHBondContact O-N 3.26Å; N369-L372 VanDerWaalsContact O-N 3.1Å; N369-V373 WeakPolarHBondContact O-CG2 3.33Å; N369-V373 PolarHBondContact O-N 2.96Å; N369-C456 VanDerWaalsContact OD1-CB 3.27Å; N369-C456 WeakPolarHBondContact OD1-CB 3.15Å; N369-C456 PolarHBondContact OD1-SG 3.35Å
370	D	91.7	Very high	90.5	Very high	77 Å²	77	46.9 Å²	46.9	41%	0.412	25%	0.249	S	C	.	.	H	α-helix	trans	-57.6	-42.7	-179.4	-68.1	-14.3	0	0	0	112.3	S327 R366 I368	S327-D370 VanDerWaalsContact CB-OD2 3.23Å; S327-D370 WeakPolarHBondContact CB-OD2 3.48Å; S327-D370 PolarHBondContact OG-OD2 3.22Å; R366-D370 VanDerWaalsContact O-CG 3.28Å; R366-D370 PolarHBondContact O-N 2.92Å; I368-D370 PolarHBondContact O-N 3.28Å
371	I	91.3	Very high	90.3	Very high	41 Å²	41	46.8 Å²	46.8	21%	0.21	25%	0.249	C	C	.	.	H	α-helix	trans	-74.6	-33.5	177.6	-168.1	63.9	0	0	0	112.2	I367 I368 N369 T374 S375 F381 A387	I367-I371 PolarHBondContact O-N 2.94Å; I368-I371 WeakPolarHBondContact O-CG2 3.4Å; I368-I371 PolarHBondContact O-N 2.93Å; N369-I371 VanDerWaalsContact C-N 3.31Å; N369-I371 PolarHBondContact O-N 3.44Å; I371-T374 PolarHBondContact O-N 2.86Å; I371-T374 PolarHBondContact O-OG1 3.13Å; I371-T374 VanDerWaalsContact O-OG1 3.14Å; I371-S375 WeakPolarHBondContact O-CB 3.28Å; I371-S375 PolarHBondContact O-N 3.3Å; I371-S375 PolarHBondContact O-OG 3.33Å; I371-F381 HydrophobicContact CG2-CD1 4.41Å; I371-F381 HydrophobicContact CG2-CE1 3.49Å; I371-F381 VanDerWaalsContact CG2-CE1 3.49Å; I371-F381 HydrophobicContact CG2-CZ 3.82Å; I371-A387 HydrophobicContact CB-CB 4.22Å; I371-A387 HydrophobicContact CG2-CB 3.6Å
372	L	91	Very high	89.8	Confident	2 Å²	2	53 Å²	53	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-69.9	-32.4	179.1	-77.6	178.2	0	0	0	112.8	I368 N369 T374 S375 V380 F381 C456 A457 R460 F461	I368-L372 HydrophobicContact CG2-CD1 3.72Å; I368-L372 HydrophobicContact CG2-CG 4.31Å; I368-L372 WeakPolarHBondContact O-CB 3.28Å; I368-L372 VanDerWaalsContact O-CG 3.28Å; I368-L372 WeakPolarHBondContact O-CG 3.42Å; I368-L372 PolarHBondContact O-N 3.41Å; N369-L372 PolarHBondContact O-N 3.26Å; N369-L372 VanDerWaalsContact O-N 3.1Å; L372-T374 PolarHBondContact O-N 3.18Å; L372-S375 PolarHBondContact O-N 3.32Å; L372-V380 HydrophobicContact CD2-CG2 3.59Å; L372-F381 HydrophobicContact CD2-CE2 3.66Å; L372-F381 HydrophobicContact CD2-CZ 4.02Å; L372-F381 HydrophobicContact CG-CE2 4.15Å; L372-F381 HydrophobicContact CG-CZ 4.04Å; L372-C456 HydrophobicContact CD1-CB 3.73Å; L372-A457 HydrophobicContact CD1-CB 4.44Å; L372-R460 HydrophobicContact CB-CB 4.48Å; L372-R460 HydrophobicContact CB-CG 4.34Å; L372-R460 PolarHBondContact O-NE 3.16Å; L372-F461 HydrophobicContact CD2-CE2 3.96Å; L372-F461 HydrophobicContact CD2-CZ 4.4Å
373	V	88.8	Confident	89.6	Confident	106 Å²	106	56.2 Å²	56.2	64%	0.642	28%	0.283	S	S	*	.	H	α-helix	trans	-58.5	-36.2	174.1	168.6	0	0	0	0	111.2	N369	N369-V373 WeakPolarHBondContact O-CG2 3.33Å; N369-V373 PolarHBondContact O-N 2.96Å
374	T	86	Confident	89.4	Confident	108 Å²	108	62.9 Å²	62.9	66%	0.663	32%	0.319	S	S	*	.	H	α-helix	trans	-98	-4.3	-177.8	57	0	0	0	0	113.8	I371 L372	I371-T374 PolarHBondContact O-N 2.86Å; I371-T374 PolarHBondContact O-OG1 3.13Å; I371-T374 VanDerWaalsContact O-OG1 3.14Å; L372-T374 PolarHBondContact O-N 3.18Å
375	S	86.3	Confident	89.2	Confident	16 Å²	16	64.1 Å²	64.1	11%	0.112	33%	0.327	C	S	.	.			trans	-89.3	142.5	-178.4	-67.5	0	0	0	0	112.4	I371 L372	I371-S375 WeakPolarHBondContact O-CB 3.28Å; I371-S375 PolarHBondContact O-N 3.3Å; I371-S375 PolarHBondContact O-OG 3.33Å; L372-S375 PolarHBondContact O-N 3.32Å
376	T	85.4	Confident	89.2	Confident	78 Å²	78	62.5 Å²	62.5	48%	0.479	32%	0.322	S	S	.	.			trans	-87.6	160.6	165.9	67.4	0	0	0	0	110.5	E378 D379 V380	T376-E378 PolarHBondContact O-N 3.12Å; T376-E378 VanDerWaalsContact O-N 3.13Å; T376-D379 PolarHBondContact O-N 2.93Å; T376-D379 PolarHBondContact OG1-N 3.5Å; T376-V380 PolarHBondContact O-N 3.22Å; T376-V380 VanDerWaalsContact O-N 3.08Å
377	A	82.6	Confident	89.1	Confident	37 Å²	37	56.9 Å²	56.9	31%	0.306	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-29.1	173.2	0	0	0	0	0	113	L470 R473	A377-L470 HydrophobicContact CB-CD1 3.83Å; A377-L470 HydrophobicContact CB-CD2 3.75Å; A377-L470 HydrophobicContact CB-CG 4.48Å; A377-R473 VanDerWaalsContact O-CZ 3.28Å; A377-R473 PolarHBondContact O-NH2 3.43Å
378	E	80.2	Confident	89.1	Confident	135 Å²	135	56.7 Å²	56.7	63%	0.631	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-37.7	-179.8	-64.7	-170.5	169.7	0	0	113.3	T376 R382 R473	T376-E378 PolarHBondContact O-N 3.12Å; T376-E378 VanDerWaalsContact O-N 3.13Å; E378-R382 WeakPolarHBondContact O-CD 3.43Å; E378-R382 PolarHBondContact O-NE 3.46Å; E378-R382 VanDerWaalsContact O-NE 3.13Å; E378-R382 PolarHBondContact O-NH1 3.39Å; E378-R382 VanDerWaalsContact O-NH1 3.1Å; E378-R473 PolarHBondContact O-NH2 3.32Å; E378-R473 VanDerWaalsContact O-NH2 3.13Å
379	D	83.4	Confident	89.1	Confident	56 Å²	56	57.3 Å²	57.3	30%	0.299	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	0.6	-171.3	-81.5	-8.1	0	0	0	114.7	T376 F381 R382 K383	T376-D379 PolarHBondContact O-N 2.93Å; T376-D379 PolarHBondContact OG1-N 3.5Å; D379-F381 PolarHBondContact O-N 2.79Å; D379-F381 VanDerWaalsContact O-N 3.08Å; D379-R382 WeakPolarHBondContact O-CB 3.48Å; D379-R382 PolarHBondContact O-N 2.88Å; D379-K383 WeakPolarHBondContact OD2-CE 3.38Å; D379-K383 IonicContact OD2-NZ 3.42Å; D379-K383 PolarHBondContact OD2-NZ 3.15Å
380	V	84.4	Confident	89.3	Confident	5 Å²	5	54.5 Å²	54.5	3%	0.03	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	115.7	-177	70	0	0	0	0	112.3	L372 T376 R382 F461 T474	L372-V380 HydrophobicContact CD2-CG2 3.59Å; T376-V380 PolarHBondContact O-N 3.22Å; T376-V380 VanDerWaalsContact O-N 3.08Å; V380-R382 PolarHBondContact O-N 3.33Å; V380-F461 HydrophobicContact CG2-CE2 4.18Å; V380-F461 HydrophobicContact CG2-CZ 4.43Å; V380-T474 WeakPolarHBondContact CG2-OG1 3.5Å
381	F	88.9	Confident	89.5	Confident	3 Å²	3	50.9 Å²	50.9	1%	0.013	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	17.7	-176.6	-61.1	-72.1	0	0	0	116.8	I368 I371 L372 D379 A387 T388 I391 T474 A477 L478 R482	I368-F381 HydrophobicContact CG2-CZ 4.09Å; I371-F381 HydrophobicContact CG2-CD1 4.41Å; I371-F381 HydrophobicContact CG2-CE1 3.49Å; I371-F381 VanDerWaalsContact CG2-CE1 3.49Å; I371-F381 HydrophobicContact CG2-CZ 3.82Å; L372-F381 HydrophobicContact CD2-CE2 3.66Å; L372-F381 HydrophobicContact CD2-CZ 4.02Å; L372-F381 HydrophobicContact CG-CE2 4.15Å; L372-F381 HydrophobicContact CG-CZ 4.04Å; D379-F381 PolarHBondContact O-N 2.79Å; D379-F381 VanDerWaalsContact O-N 3.08Å; F381-A387 HydrophobicContact CE1-CB 4.04Å; F381-T388 HydrophobicContact CB-CG2 4.01Å; F381-T388 HydrophobicContact CD1-CG2 3.64Å; F381-T388 HydrophobicContact CG-CG2 4.32Å; F381-I391 HydrophobicContact CE1-CD1 4.47Å; F381-T474 HydrophobicContact CD2-CG2 3.64Å; F381-T474 HydrophobicContact CE2-CG2 3.5Å; F381-A477 HydrophobicContact CB-CB 4.02Å; F381-L478 HydrophobicContact CB-CD2 4.1Å; F381-L478 HydrophobicContact CB-CG 4.5Å; F381-L478 HydrophobicContact CD1-CD2 3.89Å; F381-L478 HydrophobicContact CD2-CD1 4.32Å; F381-L478 HydrophobicContact CD2-CD2 4.42Å; F381-L478 HydrophobicContact CD2-CG 4.35Å; F381-L478 HydrophobicContact CE1-CD2 4.44Å; F381-L478 HydrophobicContact CE2-CD1 4.4Å; F381-L478 HydrophobicContact CG-CD2 3.89Å; F381-L478 HydrophobicContact CG-CG 4.26Å; F381-R482 PolarHBondContact O-NE 3.38Å; F381-R482 PolarHBondContact O-NH2 3.49Å
382	R	84.8	Confident	89.7	Confident	143 Å²	143	50.3 Å²	50.3	54%	0.54	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-42.3	175.1	-70.5	-170.9	172.4	171.2	-2.9	112.1	E378 D379 V380 R482	E378-R382 WeakPolarHBondContact O-CD 3.43Å; E378-R382 PolarHBondContact O-NE 3.46Å; E378-R382 VanDerWaalsContact O-NE 3.13Å; E378-R382 PolarHBondContact O-NH1 3.39Å; E378-R382 VanDerWaalsContact O-NH1 3.1Å; D379-R382 WeakPolarHBondContact O-CB 3.48Å; D379-R382 PolarHBondContact O-N 2.88Å; V380-R382 PolarHBondContact O-N 3.33Å; R382-R482 PolarHBondContact O-NH2 2.98Å
383	K	88.4	Confident	90	Very high	140 Å²	140	50.6 Å²	50.6	61%	0.609	27%	0.272	S	S	*	.	S	Bend	trans	-82.3	149.5	-179.9	-63.7	174.8	-170.6	155.6	0	111.4	D379 S385 R482	D379-K383 WeakPolarHBondContact OD2-CE 3.38Å; D379-K383 IonicContact OD2-NZ 3.42Å; D379-K383 PolarHBondContact OD2-NZ 3.15Å; K383-S385 PolarHBondContact O-N 3.45Å; K383-R482 PolarHBondContact O-NH2 2.9Å; K383-R482 VanDerWaalsContact O-NH2 3.09Å
384	D	90.4	Very high	90.4	Very high	141 Å²	141	45.6 Å²	45.6	75%	0.754	24%	0.242	S	C	*	.			trans	-68.5	130.7	173.9	-70.1	-21.6	0	0	0	110.7	R482	D384-R482 IonicContact OD1-CZ 2.72Å; D384-R482 IonicContact OD1-NH1 3.57Å; D384-R482 PolarHBondContact OD1-NH1 2.92Å; D384-R482 IonicContact OD1-NH2 2.73Å; D384-R482 PolarHBondContact OD1-NH2 3.28Å
385	S	92.8	Very high	90.8	Very high	26 Å²	26	40.5 Å²	40.5	18%	0.182	21%	0.21	C	C	.	.			trans	-147.2	169.3	-179.3	61.5	0	0	0	0	109.9	K383 A387 T388 G389	K383-S385 PolarHBondContact O-N 3.45Å; S385-A387 VanDerWaalsContact C-N 3.25Å; S385-A387 PolarHBondContact O-N 2.96Å; S385-T388 PolarHBondContact N-OG1 3.16Å; S385-T388 PolarHBondContact O-N 3.25Å; S385-T388 PolarHBondContact O-OG1 3.02Å; S385-T388 WeakPolarHBondContact OG-CG2 3.29Å; S385-T388 PolarHBondContact OG-N 3.48Å; S385-T388 VanDerWaalsContact OG-N 3.16Å; S385-T388 PolarHBondContact OG-OG1 2.83Å; S385-G389 PolarHBondContact O-N 2.87Å
386	L	94.7	Very high	91.2	Very high	14 Å²	14	42.1 Å²	42.1	7%	0.073	21%	0.214	C	C	.	.	H	α-helix	trans	-51.2	-47.8	169.7	175.8	64.3	0	0	0	111.1	L330 M345 Y346 I367 G389 I390	L330-L386 HydrophobicContact CB-CD1 3.98Å; L330-L386 HydrophobicContact CB-CD2 3.76Å; M345-L386 HydrophobicContact CE-CD1 4.48Å; Y346-L386 HydrophobicContact CE1-CD1 3.93Å; I367-L386 HydrophobicContact CD1-CD2 4.29Å; I367-L386 HydrophobicContact CG1-CD2 4.35Å; I367-L386 HydrophobicContact CG2-CD2 4.22Å; I367-L386 HydrophobicContact CG2-CG 4.13Å; L386-G389 PolarHBondContact O-N 3.19Å; L386-I390 HydrophobicContact CD1-CD1 3.57Å; L386-I390 HydrophobicContact CD1-CG1 4.19Å; L386-I390 HydrophobicContact CG-CD1 3.85Å; L386-I390 WeakPolarHBondContact O-CG1 3.47Å; L386-I390 PolarHBondContact O-N 3.49Å
387	A	95.3	Very high	91.5	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-60	-52	-179.5	0	0	0	0	0	112	I367 I371 F381 S385 G389 I390 I391	I367-A387 HydrophobicContact CG2-CB 3.63Å; I371-A387 HydrophobicContact CB-CB 4.22Å; I371-A387 HydrophobicContact CG2-CB 3.6Å; F381-A387 HydrophobicContact CE1-CB 4.04Å; S385-A387 VanDerWaalsContact C-N 3.25Å; S385-A387 PolarHBondContact O-N 2.96Å; A387-G389 VanDerWaalsContact C-N 3.31Å; A387-G389 PolarHBondContact O-N 3.04Å; A387-I390 PolarHBondContact O-N 2.92Å; A387-I391 WeakPolarHBondContact O-CB 3.49Å; A387-I391 WeakPolarHBondContact O-CD1 3.3Å; A387-I391 WeakPolarHBondContact O-CG1 3.49Å; A387-I391 PolarHBondContact O-N 2.8Å
388	T	94.9	Very high	92	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-62.7	-39.9	179.2	55.3	0	0	0	0	111.5	F381 S385 T392 R482	F381-T388 HydrophobicContact CB-CG2 4.01Å; F381-T388 HydrophobicContact CD1-CG2 3.64Å; F381-T388 HydrophobicContact CG-CG2 4.32Å; S385-T388 PolarHBondContact N-OG1 3.16Å; S385-T388 PolarHBondContact O-N 3.25Å; S385-T388 PolarHBondContact O-OG1 3.02Å; S385-T388 WeakPolarHBondContact OG-CG2 3.29Å; S385-T388 PolarHBondContact OG-N 3.48Å; S385-T388 VanDerWaalsContact OG-N 3.16Å; S385-T388 PolarHBondContact OG-OG1 2.83Å; T388-T392 WeakPolarHBondContact O-CB 3.16Å; T388-T392 PolarHBondContact O-N 3.13Å; T388-T392 PolarHBondContact O-OG1 2.91Å; T388-R482 VanDerWaalsContact CB-CZ 3.45Å
389	G	96.2	Very high	92.5	Very high	13 Å²	13	32 Å²	32	13%	0.134	16%	0.156	C	C	.	.	H	α-helix	trans	-61.9	-48.2	179.7	0	0	0	0	0	112.8	S385 L386 A387 Q393	S385-G389 PolarHBondContact O-N 2.87Å; L386-G389 PolarHBondContact O-N 3.19Å; A387-G389 VanDerWaalsContact C-N 3.31Å; A387-G389 PolarHBondContact O-N 3.04Å; G389-Q393 WeakPolarHBondContact O-CB 3.49Å; G389-Q393 PolarHBondContact O-N 3.28Å
390	I	97.2	Very high	92.8	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-63.8	-51.8	178.1	-68.1	167.7	0	0	0	110.9	Y346 I349 I364 I367 L386 A387 T392 Q393 C394	Y346-I390 HydrophobicContact CD1-CG1 3.85Å; Y346-I390 HydrophobicContact CE1-CG1 4.26Å; I349-I390 HydrophobicContact CD1-CD1 3.81Å; I349-I390 HydrophobicContact CD1-CG1 3.94Å; I349-I390 HydrophobicContact CG2-CB 4.49Å; I349-I390 HydrophobicContact CG2-CD1 4.12Å; I349-I390 HydrophobicContact CG2-CG1 4.05Å; I349-I390 HydrophobicContact CG2-CG2 3.66Å; I364-I390 HydrophobicContact CD1-CG2 4.34Å; I364-I390 HydrophobicContact CG1-CG2 4.17Å; I367-I390 HydrophobicContact CD1-CD1 3.65Å; L386-I390 HydrophobicContact CD1-CD1 3.57Å; L386-I390 HydrophobicContact CD1-CG1 4.19Å; L386-I390 HydrophobicContact CG-CD1 3.85Å; L386-I390 WeakPolarHBondContact O-CG1 3.47Å; L386-I390 PolarHBondContact O-N 3.49Å; A387-I390 PolarHBondContact O-N 2.92Å; I390-T392 PolarHBondContact O-N 3.46Å; I390-Q393 PolarHBondContact O-N 3.34Å; I390-Q393 VanDerWaalsContact O-N 3.16Å; I390-C394 PolarHBondContact O-N 3.1Å; I390-C394 PolarHBondContact O-SG 3.01Å
391	I	96.9	Very high	93	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-63.6	-44.1	-175.5	-63	162.7	0	0	0	110.5	I364 I368 F381 A387 Q393 C394 L395 L449 L478	I364-I391 HydrophobicContact CG2-CG1 4.43Å; I368-I391 HydrophobicContact CD1-CD1 3.61Å; I368-I391 HydrophobicContact CD1-CG1 4.35Å; I368-I391 HydrophobicContact CG1-CD1 3.61Å; F381-I391 HydrophobicContact CE1-CD1 4.47Å; A387-I391 WeakPolarHBondContact O-CB 3.49Å; A387-I391 WeakPolarHBondContact O-CD1 3.3Å; A387-I391 WeakPolarHBondContact O-CG1 3.49Å; A387-I391 PolarHBondContact O-N 2.8Å; I391-Q393 VanDerWaalsContact C-N 3.3Å; I391-Q393 PolarHBondContact O-N 3.32Å; I391-C394 PolarHBondContact O-N 3.38Å; I391-L395 HydrophobicContact CG2-CD1 3.77Å; I391-L395 HydrophobicContact CG2-CG 4.25Å; I391-L395 WeakPolarHBondContact O-CB 3.43Å; I391-L395 WeakPolarHBondContact O-CG 3.4Å; I391-L395 PolarHBondContact O-N 2.87Å; I391-L449 HydrophobicContact CG1-CD1 4.42Å; I391-L449 HydrophobicContact CG2-CD2 4.16Å; I391-L449 HydrophobicContact CG2-CG 4.28Å; I391-L478 HydrophobicContact CB-CD2 4.26Å; I391-L478 HydrophobicContact CD1-CD1 4.16Å; I391-L478 HydrophobicContact CD1-CD2 3.97Å; I391-L478 HydrophobicContact CG2-CB 4.29Å; I391-L478 HydrophobicContact CG2-CD1 4.28Å; I391-L478 HydrophobicContact CG2-CD2 3.93Å; I391-L478 HydrophobicContact CG2-CG 4.39Å
392	T	96.4	Very high	93	Very high	30 Å²	30	30 Å²	30	18%	0.184	15%	0.145	C	C	.	.	H	α-helix	trans	-58	-44.6	175.4	-67.5	0	0	0	0	111.1	T388 I390 L395 R396 R482 V483	T388-T392 WeakPolarHBondContact O-CB 3.16Å; T388-T392 PolarHBondContact O-N 3.13Å; T388-T392 PolarHBondContact O-OG1 2.91Å; I390-T392 PolarHBondContact O-N 3.46Å; T392-L395 PolarHBondContact O-N 2.94Å; T392-R396 WeakPolarHBondContact O-CB 3.47Å; T392-R396 PolarHBondContact O-N 3.44Å; T392-R482 HydrophobicContact CG2-CB 4.47Å; T392-R482 WeakPolarHBondContact CG2-O 3.38Å; T392-R482 WeakPolarHBondContact OG1-CB 3.43Å; T392-V483 HydrophobicContact CG2-CG2 4.26Å
393	Q	96.1	Very high	93.2	Very high	8 Å²	8	23.4 Å²	23.4	4%	0.037	12%	0.12	C	C	.	.	H	α-helix	trans	-70.8	-36.9	-178.8	-170.1	58.3	2.6	0	0	113.3	T347 S350 G389 I390 I391 H397	T347-Q393 PolarHBondContact OG1-NE2 3.44Å; S350-Q393 PolarHBondContact OG-O 3.41Å; G389-Q393 WeakPolarHBondContact O-CB 3.49Å; G389-Q393 PolarHBondContact O-N 3.28Å; I390-Q393 PolarHBondContact O-N 3.34Å; I390-Q393 VanDerWaalsContact O-N 3.16Å; I391-Q393 VanDerWaalsContact C-N 3.3Å; I391-Q393 PolarHBondContact O-N 3.32Å; Q393-H397 PolarHBondContact NE2-CE1 2.82Å; Q393-H397 PolarHBondContact NE2-NE2 2.91Å; Q393-H397 VanDerWaalsContact NE2-NE2 3.1Å; Q393-H397 PolarHBondContact O-N 3.16Å
394	C	96.4	Very high	93.1	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.007	10%	0.096	C	C	.	.	H	α-helix	trans	-60.2	-53.2	171.2	-69.7	0	0	0	0	111.6	S350 Y353 I390 I391 R396 H397 L398 L449	S350-C394 WeakPolarHBondContact OG-CA 3.43Å; Y353-C394 HydrophobicContact CD1-CB 4.18Å; I390-C394 PolarHBondContact O-N 3.1Å; I390-C394 PolarHBondContact O-SG 3.01Å; I391-C394 PolarHBondContact O-N 3.38Å; C394-R396 PolarHBondContact O-N 3.04Å; C394-H397 PolarHBondContact O-N 3.48Å; C394-L398 WeakPolarHBondContact O-CD1 3.39Å; C394-L398 VanDerWaalsContact O-CG 3.25Å; C394-L398 WeakPolarHBondContact O-CG 3.27Å; C394-L398 PolarHBondContact O-N 2.84Å; C394-L449 HydrophobicContact CB-CD2 3.38Å
395	L	95.9	Very high	92.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-65.8	-37.3	-178.8	-69	176.4	0	0	0	112	I391 T392 L398 F399 A446 L449 L450 V483	I391-L395 HydrophobicContact CG2-CD1 3.77Å; I391-L395 HydrophobicContact CG2-CG 4.25Å; I391-L395 WeakPolarHBondContact O-CB 3.43Å; I391-L395 WeakPolarHBondContact O-CG 3.4Å; I391-L395 PolarHBondContact O-N 2.87Å; T392-L395 PolarHBondContact O-N 2.94Å; L395-L398 PolarHBondContact O-N 3.31Å; L395-L398 VanDerWaalsContact O-N 3.16Å; L395-F399 HydrophobicContact CB-CD2 4.42Å; L395-F399 HydrophobicContact CD2-CD2 4.48Å; L395-F399 HydrophobicContact CD2-CE2 4.17Å; L395-F399 WeakPolarHBondContact O-CB 3.47Å; L395-F399 WeakPolarHBondContact O-CD2 3.36Å; L395-F399 PolarHBondContact O-N 2.95Å; L395-A446 HydrophobicContact CD2-CB 4.08Å; L395-L449 HydrophobicContact CD2-CB 4.47Å; L395-L449 HydrophobicContact CD2-CD2 3.85Å; L395-L449 HydrophobicContact CD2-CG 4.42Å; L395-L449 HydrophobicContact CG-CD2 3.79Å; L395-L450 HydrophobicContact CD1-CD2 3.9Å; L395-L450 HydrophobicContact CD2-CD2 4.43Å; L395-L450 HydrophobicContact CD2-CG 4.33Å; L395-V483 HydrophobicContact CB-CB 4.31Å; L395-V483 HydrophobicContact CB-CG1 3.98Å; L395-V483 HydrophobicContact CB-CG2 3.52Å; L395-V483 HydrophobicContact CD1-CG2 3.97Å; L395-V483 HydrophobicContact CG-CG2 4.4Å
396	R	94.1	Very high	92.7	Very high	50 Å²	50	12.2 Å²	12.2	19%	0.189	6%	0.063	C	C	.	.	H	α-helix	trans	-57.9	-50.8	175.8	-175	-165.6	166.6	-68	-11.2	111.4	E119 D125 T392 C394 L398 F399 K400	E119-R396 IonicContact OE1-NH2 2.81Å; E119-R396 PolarHBondContact OE1-NH2 3.41Å; E119-R396 IonicContact OE2-CZ 2.8Å; E119-R396 IonicContact OE2-NH2 3.59Å; E119-R396 PolarHBondContact OE2-NH2 3.21Å; D125-R396 IonicContact OD1-NH1 2.88Å; D125-R396 IonicContact OD1-NH2 3.96Å; D125-R396 IonicContact OD2-CZ 3.1Å; D125-R396 IonicContact OD2-NH1 3.33Å; D125-R396 PolarHBondContact OD2-NH1 2.97Å; D125-R396 IonicContact OD2-NH2 2.68Å; D125-R396 PolarHBondContact OD2-NH2 3.48Å; T392-R396 WeakPolarHBondContact O-CB 3.47Å; T392-R396 PolarHBondContact O-N 3.44Å; C394-R396 PolarHBondContact O-N 3.04Å; R396-L398 PolarHBondContact O-N 3.4Å; R396-F399 PolarHBondContact O-N 3.3Å; R396-K400 VanDerWaalsContact O-CB 3.28Å; R396-K400 WeakPolarHBondContact O-CB 3.48Å; R396-K400 PolarHBondContact O-N 2.9Å
397	H	91.8	Very high	92.2	Very high	10 Å²	10	13 Å²	13	5%	0.046	7%	0.068	C	C	.	.	H	α-helix	trans	-59.9	-31.2	177.6	-74.7	160.4	0	0	0	113.1	Y149 S350 H351 Q393 C394	Y149-H397 WeakPolarHBondContact CB-O 3.32Å; Y149-H397 HydrophobicContact CD1-CB 3.78Å; Y149-H397 AromaticContact CD1-CG 3.83Å; Y149-H397 HydrophobicContact CE1-CB 4.11Å; Y149-H397 AromaticContact CE1-CD2 3.78Å; Y149-H397 AromaticContact CE1-CE1 3.84Å; Y149-H397 AromaticContact CE1-CG 3.62Å; Y149-H397 AromaticContact CE1-ND1 3.64Å; Y149-H397 AromaticContact CE1-NE2 3.94Å; Y149-H397 HydrophobicContact CG-CB 4.36Å; Y149-H397 AromaticContact CZ-CD2 3.87Å; Y149-H397 AromaticContact CZ-NE2 3.85Å; S350-H397 PolarHBondContact OG-ND1 3.32Å; H351-H397 AromaticContact CD2-CE1 3.9Å; H351-H397 AromaticContact NE2-CE1 3.7Å; Q393-H397 PolarHBondContact NE2-CE1 2.82Å; Q393-H397 PolarHBondContact NE2-NE2 2.91Å; Q393-H397 VanDerWaalsContact NE2-NE2 3.1Å; Q393-H397 PolarHBondContact O-N 3.16Å; C394-H397 PolarHBondContact O-N 3.48Å
398	L	92.1	Very high	91.5	Very high	21 Å²	21	19.2 Å²	19.2	11%	0.11	10%	0.1	C	C	.	.	H	α-helix	trans	-82.1	-32.1	-178.9	-66.4	171.4	0	0	0	112.8	T150 Y353 C394 L395 R396 P402 I443 L445 A446	T150-L398 HydrophobicContact CG2-CD2 4.44Å; Y353-L398 HydrophobicContact CE1-CD1 4.4Å; C394-L398 WeakPolarHBondContact O-CD1 3.39Å; C394-L398 VanDerWaalsContact O-CG 3.25Å; C394-L398 WeakPolarHBondContact O-CG 3.27Å; C394-L398 PolarHBondContact O-N 2.84Å; L395-L398 PolarHBondContact O-N 3.31Å; L395-L398 VanDerWaalsContact O-N 3.16Å; R396-L398 PolarHBondContact O-N 3.4Å; L398-P402 VanDerWaalsContact O-CD 3.31Å; L398-P402 WeakPolarHBondContact O-CD 3.15Å; L398-P402 WeakPolarHBondContact O-CG 3.24Å; L398-I443 HydrophobicContact CB-CG2 4.07Å; L398-I443 HydrophobicContact CD2-CG2 4.16Å; L398-I443 HydrophobicContact CG-CG2 4.5Å; L398-L445 HydrophobicContact CD1-CB 3.71Å; L398-L445 HydrophobicContact CD2-CB 3.89Å; L398-L445 HydrophobicContact CD2-CD1 3.96Å; L398-L445 HydrophobicContact CG-CB 4.49Å; L398-A446 HydrophobicContact CB-CB 4.38Å; L398-A446 HydrophobicContact CD1-CB 4.01Å
399	F	91.4	Very high	90.9	Very high	8 Å²	8	25.2 Å²	25.2	4%	0.035	13%	0.128	C	C	.	.	H	α-helix	trans	-100.4	-23.9	-174.9	-83.8	-74.8	0	0	0	115.3	L395 R396 P402 F403 V436 L440 I443 A446 L479 V483 I487	L395-F399 HydrophobicContact CB-CD2 4.42Å; L395-F399 HydrophobicContact CD2-CD2 4.48Å; L395-F399 HydrophobicContact CD2-CE2 4.17Å; L395-F399 WeakPolarHBondContact O-CB 3.47Å; L395-F399 WeakPolarHBondContact O-CD2 3.36Å; L395-F399 PolarHBondContact O-N 2.95Å; R396-F399 PolarHBondContact O-N 3.3Å; F399-P402 WeakPolarHBondContact O-CD 3.47Å; F399-F403 VanDerWaalsContact O-CB 3.26Å; F399-F403 WeakPolarHBondContact O-CB 3.28Å; F399-F403 PolarHBondContact O-N 3.15Å; F399-V436 HydrophobicContact CE1-CG1 4.35Å; F399-L440 HydrophobicContact CE2-CD1 4.48Å; F399-L440 HydrophobicContact CZ-CD1 3.85Å; F399-I443 HydrophobicContact CD1-CD1 4.29Å; F399-I443 HydrophobicContact CE1-CD1 4.16Å; F399-A446 HydrophobicContact CE2-CB 3.72Å; F399-A446 HydrophobicContact CZ-CB 4.14Å; F399-L479 HydrophobicContact CD2-CD1 4.18Å; F399-L479 HydrophobicContact CE2-CD1 3.57Å; F399-L479 HydrophobicContact CZ-CD1 3.9Å; F399-V483 HydrophobicContact CB-CG1 4.43Å; F399-V483 HydrophobicContact CD2-CG1 4.48Å; F399-I487 HydrophobicContact CB-CD1 4.04Å
400	K	89.9	Confident	90.2	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.017	13%	0.134	C	C	.	.	H	α-helix	trans	-61.1	-50.6	-175.3	-178.1	57	169.3	69	0	112.4	E119 R396 F403 D404 I487	E119-K400 WeakPolarHBondContact OE1-CE 3.46Å; E119-K400 IonicContact OE1-NZ 2.78Å; E119-K400 PolarHBondContact OE1-NZ 3.43Å; R396-K400 VanDerWaalsContact O-CB 3.28Å; R396-K400 WeakPolarHBondContact O-CB 3.48Å; R396-K400 PolarHBondContact O-N 2.9Å; K400-F403 WeakPolarHBondContact O-CB 3.09Å; K400-F403 PolarHBondContact O-N 2.87Å; K400-D404 IonicContact NZ-OD1 3.7Å; K400-D404 PolarHBondContact NZ-OD1 2.69Å; K400-D404 IonicContact NZ-OD2 2.85Å; K400-D404 PolarHBondContact NZ-OD2 3.46Å; K400-D404 PolarHBondContact O-N 2.88Å; K400-I487 HydrophobicContact CB-CD1 4.48Å; K400-I487 HydrophobicContact CD-CG1 4.4Å; K400-I487 HydrophobicContact CD-CG2 4.01Å
401	T	87.9	Confident	88.9	Confident	4 Å²	4	29.8 Å²	29.8	3%	0.025	16%	0.158	C	C	.	.	H	α-helix	trans	-61.8	-49.8	179.4	-53.8	0	0	0	0	112.7	R147 F403 D404 E405	R147-T401 HydrophobicContact CB-CG2 3.69Å; R147-T401 HydrophobicContact CG-CG2 3.48Å; R147-T401 VanDerWaalsContact CG-CG2 3.48Å; T401-F403 VanDerWaalsContact C-N 3.26Å; T401-F403 PolarHBondContact O-N 3.22Å; T401-D404 PolarHBondContact O-N 3.16Å; T401-E405 WeakPolarHBondContact O-CG 3.29Å; T401-E405 PolarHBondContact O-N 2.79Å
402	P	89.3	Confident	87.6	Confident	13 Å²	13	36.3 Å²	36.3	8%	0.084	19%	0.189	C	C	.	.	H	α-helix	trans	-56.8	-38	173.3	-27.6	34.9	0	0	0	113.6	L398 F399 E405 F406 F435 R439 I443	L398-P402 VanDerWaalsContact O-CD 3.31Å; L398-P402 WeakPolarHBondContact O-CD 3.15Å; L398-P402 WeakPolarHBondContact O-CG 3.24Å; F399-P402 WeakPolarHBondContact O-CD 3.47Å; P402-E405 PolarHBondContact O-N 3.45Å; P402-F406 PolarHBondContact O-N 2.94Å; P402-F435 HydrophobicContact CB-CZ 3.93Å; P402-F435 WeakPolarHBondContact O-CZ 3.27Å; P402-R439 HydrophobicContact CB-CG 4.37Å; P402-I443 HydrophobicContact CG-CD1 3.87Å
403	F	89.8	Confident	86.6	Confident	4 Å²	4	35 Å²	35	2%	0.018	18%	0.18	C	C	.	.	H	α-helix	trans	-66.3	-40.1	178.5	-176.6	-88.3	0	0	0	111.9	F399 K400 T401 E405 F406 L407 L432 L484 I487 I488 T491	F399-F403 VanDerWaalsContact O-CB 3.26Å; F399-F403 WeakPolarHBondContact O-CB 3.28Å; F399-F403 PolarHBondContact O-N 3.15Å; K400-F403 WeakPolarHBondContact O-CB 3.09Å; K400-F403 PolarHBondContact O-N 2.87Å; T401-F403 VanDerWaalsContact C-N 3.26Å; T401-F403 PolarHBondContact O-N 3.22Å; F403-E405 VanDerWaalsContact C-N 3.33Å; F403-E405 PolarHBondContact O-N 2.91Å; F403-F406 WeakPolarHBondContact O-CB 3.2Å; F403-F406 PolarHBondContact O-N 3.29Å; F403-L407 HydrophobicContact CD1-CD1 4.1Å; F403-L407 HydrophobicContact CD1-CG 4.34Å; F403-L407 HydrophobicContact CE1-CD1 3.62Å; F403-L407 HydrophobicContact CE1-CD2 4.43Å; F403-L407 HydrophobicContact CE1-CG 4.03Å; F403-L407 HydrophobicContact CZ-CD1 4.4Å; F403-L407 HydrophobicContact CZ-CD2 4.48Å; F403-L407 WeakPolarHBondContact O-CG 3.21Å; F403-L407 PolarHBondContact O-N 3.24Å; F403-L407 VanDerWaalsContact O-N 3.11Å; F403-L432 HydrophobicContact CD2-CD1 4.02Å; F403-L432 HydrophobicContact CE2-CD1 3.53Å; F403-L432 HydrophobicContact CE2-CD2 4.42Å; F403-L484 HydrophobicContact CD2-CD1 4.31Å; F403-L484 HydrophobicContact CE2-CD1 4.32Å; F403-I487 HydrophobicContact CB-CG2 3.97Å; F403-I487 HydrophobicContact CD1-CG2 3.37Å; F403-I487 HydrophobicContact CD2-CG2 4Å; F403-I487 HydrophobicContact CE1-CG2 3.75Å; F403-I487 HydrophobicContact CE2-CG2 4.32Å; F403-I487 HydrophobicContact CG-CG2 3.51Å; F403-I487 HydrophobicContact CZ-CG2 4.22Å; F403-I488 HydrophobicContact CE2-CG1 3.91Å; F403-I488 HydrophobicContact CZ-CG1 3.92Å; F403-T491 HydrophobicContact CD1-CG2 4.31Å; F403-T491 HydrophobicContact CE1-CG2 3.96Å
404	D	85.9	Confident	85.3	Confident	18 Å²	18	36.9 Å²	36.9	10%	0.096	19%	0.194	C	C	.	.	H	α-helix	trans	-63	-40.5	174.1	-66.1	-27.7	0	0	0	111.5	K400 T401 L407 L408	K400-D404 IonicContact NZ-OD1 3.7Å; K400-D404 PolarHBondContact NZ-OD1 2.69Å; K400-D404 IonicContact NZ-OD2 2.85Å; K400-D404 PolarHBondContact NZ-OD2 3.46Å; K400-D404 PolarHBondContact O-N 2.88Å; T401-D404 PolarHBondContact O-N 3.16Å; D404-L407 PolarHBondContact O-N 3.25Å; D404-L408 WeakPolarHBondContact O-CG 3.49Å; D404-L408 PolarHBondContact O-N 2.9Å
405	E	85.5	Confident	83.8	Confident	50 Å²	50	42.2 Å²	42.2	23%	0.234	22%	0.219	C	C	.	.	H	α-helix	trans	-63.2	-42.7	174.8	-71.1	168.7	178.3	0	0	111.8	R147 T401 P402 F403 L407 L408 E409	R147-E405 VanDerWaalsContact CD-OE1 3.31Å; R147-E405 WeakPolarHBondContact CD-OE1 3.28Å; R147-E405 IonicContact NH1-OE1 2.89Å; T401-E405 WeakPolarHBondContact O-CG 3.29Å; T401-E405 PolarHBondContact O-N 2.79Å; P402-E405 PolarHBondContact O-N 3.45Å; F403-E405 VanDerWaalsContact C-N 3.33Å; F403-E405 PolarHBondContact O-N 2.91Å; E405-L407 VanDerWaalsContact C-N 3.31Å; E405-L407 PolarHBondContact O-N 3.19Å; E405-L408 WeakPolarHBondContact O-CB 3.5Å; E405-L408 PolarHBondContact O-N 3.38Å; E405-L408 VanDerWaalsContact O-N 3.09Å; E405-E409 WeakPolarHBondContact O-CG 3.2Å; E405-E409 PolarHBondContact O-N 3.26Å
406	F	88.4	Confident	82.4	Confident	4 Å²	4	45 Å²	45	2%	0.018	24%	0.238	C	C	.	.	H	α-helix	trans	-55	-46.5	173.5	167.1	-102.6	0	0	0	112.2	P402 F403 L408 E409 N410 F413 L432 F435	P402-F406 PolarHBondContact O-N 2.94Å; F403-F406 WeakPolarHBondContact O-CB 3.2Å; F403-F406 PolarHBondContact O-N 3.29Å; F406-L408 VanDerWaalsContact C-N 3.27Å; F406-L408 PolarHBondContact O-N 3.45Å; F406-E409 PolarHBondContact O-N 3.26Å; F406-N410 HydrophobicContact CD2-CB 4.34Å; F406-N410 WeakPolarHBondContact CD2-ND2 3.42Å; F406-N410 HydrophobicContact CE2-CB 4.06Å; F406-N410 HydrophobicContact CZ-CB 4.37Å; F406-N410 VanDerWaalsContact O-CB 3.24Å; F406-N410 WeakPolarHBondContact O-CB 3.1Å; F406-N410 PolarHBondContact O-N 3.02Å; F406-N410 PolarHBondContact O-ND2 2.73Å; F406-F413 HydrophobicContact CE1-CD1 4.09Å; F406-F413 AromaticContact CE1-CD2 3.93Å; F406-F413 HydrophobicContact CE1-CD2 3.93Å; F406-F413 HydrophobicContact CE1-CE1 4.2Å; F406-F413 HydrophobicContact CE1-CE2 4.06Å; F406-F413 AromaticContact CE1-CG 3.95Å; F406-F413 HydrophobicContact CE1-CG 3.95Å; F406-F413 HydrophobicContact CE1-CZ 4.2Å; F406-F413 HydrophobicContact CZ-CB 4.33Å; F406-F413 AromaticContact CZ-CD2 3.78Å; F406-F413 HydrophobicContact CZ-CD2 3.78Å; F406-F413 HydrophobicContact CZ-CE2 4.2Å; F406-F413 HydrophobicContact CZ-CG 4.01Å; F406-L432 HydrophobicContact CD1-CD1 4.27Å; F406-L432 HydrophobicContact CE1-CD1 3.9Å; F406-L432 HydrophobicContact CZ-CD1 4.43Å; F406-F435 HydrophobicContact CB-CD1 4.14Å; F406-F435 HydrophobicContact CB-CD2 3.74Å; F406-F435 HydrophobicContact CB-CE1 3.94Å; F406-F435 HydrophobicContact CB-CE2 3.49Å; F406-F435 VanDerWaalsContact CB-CE2 3.49Å; F406-F435 HydrophobicContact CB-CG 4.05Å; F406-F435 HydrophobicContact CB-CZ 3.61Å; F406-F435 HydrophobicContact CD1-CD1 4.44Å; F406-F435 HydrophobicContact CD2-CB 3.63Å; F406-F435 HydrophobicContact CD2-CD1 4.08Å; F406-F435 AromaticContact CD2-CD2 3.51Å; F406-F435 HydrophobicContact CD2-CD2 3.51Å; F406-F435 HydrophobicContact CD2-CE2 4.19Å; F406-F435 AromaticContact CD2-CG 3.44Å; F406-F435 HydrophobicContact CD2-CG 3.44Å; F406-F435 VanDerWaalsContact CD2-CG 3.44Å; F406-F435 HydrophobicContact CE2-CB 3.69Å; F406-F435 HydrophobicContact CE2-CD2 4.41Å; F406-F435 HydrophobicContact CE2-CG 4.02Å; F406-F435 HydrophobicContact CG-CB 4.36Å; F406-F435 AromaticContact CG-CD1 3.96Å; F406-F435 HydrophobicContact CG-CD1 3.96Å; F406-F435 AromaticContact CG-CD2 3.87Å; F406-F435 HydrophobicContact CG-CD2 3.87Å; F406-F435 HydrophobicContact CG-CE1 4.25Å; F406-F435 HydrophobicContact CG-CE2 4.14Å; F406-F435 AromaticContact CG-CG 3.77Å; F406-F435 HydrophobicContact CG-CG 3.77Å; F406-F435 HydrophobicContact CG-CZ 4.33Å; F406-F435 HydrophobicContact CZ-CB 4.45Å
407	L	84.9	Confident	81.3	Confident	32 Å²	32	43.7 Å²	43.7	17%	0.168	24%	0.235	C	C	.	.	H	α-helix	trans	-64.9	-32.3	179.3	-66.8	-177.5	0	0	0	112.8	F403 D404 E405 F413 T491 L492	F403-L407 HydrophobicContact CD1-CD1 4.1Å; F403-L407 HydrophobicContact CD1-CG 4.34Å; F403-L407 HydrophobicContact CE1-CD1 3.62Å; F403-L407 HydrophobicContact CE1-CD2 4.43Å; F403-L407 HydrophobicContact CE1-CG 4.03Å; F403-L407 HydrophobicContact CZ-CD1 4.4Å; F403-L407 HydrophobicContact CZ-CD2 4.48Å; F403-L407 WeakPolarHBondContact O-CG 3.21Å; F403-L407 PolarHBondContact O-N 3.24Å; F403-L407 VanDerWaalsContact O-N 3.11Å; D404-L407 PolarHBondContact O-N 3.25Å; E405-L407 VanDerWaalsContact C-N 3.31Å; E405-L407 PolarHBondContact O-N 3.19Å; L407-F413 HydrophobicContact CD2-CD1 3.62Å; L407-F413 HydrophobicContact CD2-CE1 3.49Å; L407-F413 VanDerWaalsContact CD2-CE1 3.49Å; L407-T491 HydrophobicContact CD1-CG2 3.45Å; L407-T491 VanDerWaalsContact CD1-CG2 3.45Å; L407-L492 HydrophobicContact CD1-CD2 3.88Å; L407-L492 HydrophobicContact CD2-CD2 3.97Å
408	L	80.4	Confident	80	Confident	131 Å²	131	51 Å²	51	69%	0.686	27%	0.267	S	S	*	.	H	α-helix	trans	-73	-42.4	176.9	-69	170.2	0	0	0	111.9	D404 E405 F406	D404-L408 WeakPolarHBondContact O-CG 3.49Å; D404-L408 PolarHBondContact O-N 2.9Å; E405-L408 WeakPolarHBondContact O-CB 3.5Å; E405-L408 PolarHBondContact O-N 3.38Å; E405-L408 VanDerWaalsContact O-N 3.09Å; F406-L408 VanDerWaalsContact C-N 3.27Å; F406-L408 PolarHBondContact O-N 3.45Å
409	E	82.8	Confident	78.5	Confident	127 Å²	127	57 Å²	57	59%	0.593	30%	0.295	S	S	*	.	H	α-helix	trans	-75.7	-29.8	-177.7	-69.2	170.7	-176.1	0	0	112.4	E405 F406 A411 R439	E405-E409 WeakPolarHBondContact O-CG 3.2Å; E405-E409 PolarHBondContact O-N 3.26Å; F406-E409 PolarHBondContact O-N 3.26Å; E409-A411 PolarHBondContact O-N 3.25Å; E409-R439 IonicContact OE2-NH2 2.72Å
410	N	81.3	Confident	76.7	Confident	47 Å²	47	64.4 Å²	64.4	25%	0.251	33%	0.329	S	S	.	.			trans	-104.3	67.9	-172.1	-65.8	-90.3	0	0	0	111.7	F406 Q412 F413 S414	F406-N410 HydrophobicContact CD2-CB 4.34Å; F406-N410 WeakPolarHBondContact CD2-ND2 3.42Å; F406-N410 HydrophobicContact CE2-CB 4.06Å; F406-N410 HydrophobicContact CZ-CB 4.37Å; F406-N410 VanDerWaalsContact O-CB 3.24Å; F406-N410 WeakPolarHBondContact O-CB 3.1Å; F406-N410 PolarHBondContact O-N 3.02Å; F406-N410 PolarHBondContact O-ND2 2.73Å; N410-Q412 PolarHBondContact O-N 3.33Å; N410-Q412 VanDerWaalsContact O-N 3.1Å; N410-F413 HydrophobicContact CB-CB 3.91Å; N410-F413 VanDerWaalsContact O-CB 3.24Å; N410-F413 WeakPolarHBondContact O-CB 3.46Å; N410-F413 PolarHBondContact O-N 3.4Å; N410-S414 PolarHBondContact O-N 3.33Å
411	A	70.3	Confident	74.7	Confident	63 Å²	63	70.9 Å²	70.9	52%	0.521	36%	0.364	S	S	.	.	H	α-helix	trans	-55.3	-29.6	173.7	0	0	0	0	0	112.8	E409 S414 Q415	E409-A411 PolarHBondContact O-N 3.25Å; A411-S414 WeakPolarHBondContact O-CB 3.4Å; A411-S414 PolarHBondContact O-N 3.18Å; A411-Q415 WeakPolarHBondContact O-CG 3.26Å; A411-Q415 PolarHBondContact O-N 3.34Å; A411-Q415 VanDerWaalsContact O-N 3.08Å
412	Q	67.9	Low	73	Confident	138 Å²	138	73.8 Å²	73.8	65%	0.645	38%	0.379	S	S	*	.	H	α-helix	trans	-64.6	-38.1	174.4	-65.3	179.1	-2.1	0	0	112.5	N410 S414 Q415 S416	N410-Q412 PolarHBondContact O-N 3.33Å; N410-Q412 VanDerWaalsContact O-N 3.1Å; Q412-S414 VanDerWaalsContact C-N 3.29Å; Q412-S414 PolarHBondContact O-N 3.05Å; Q412-Q415 WeakPolarHBondContact O-CB 3.48Å; Q412-Q415 PolarHBondContact O-N 3.25Å; Q412-S416 PolarHBondContact O-N 3.01Å; Q412-S416 PolarHBondContact O-OG 3.29Å; Q412-S416 VanDerWaalsContact O-OG 3.13Å
413	F	75.9	Confident	71.1	Confident	1 Å²	1	81.8 Å²	81.8	0%	0.004	42%	0.421	C	S	.	.	H	α-helix	trans	-56.9	-47.3	172.9	-179.5	-98.2	0	0	0	109.8	F406 L407 N410 Q415 S416 L417 A428 L432 L492	F406-F413 HydrophobicContact CE1-CD1 4.09Å; F406-F413 AromaticContact CE1-CD2 3.93Å; F406-F413 HydrophobicContact CE1-CD2 3.93Å; F406-F413 HydrophobicContact CE1-CE1 4.2Å; F406-F413 HydrophobicContact CE1-CE2 4.06Å; F406-F413 AromaticContact CE1-CG 3.95Å; F406-F413 HydrophobicContact CE1-CG 3.95Å; F406-F413 HydrophobicContact CE1-CZ 4.2Å; F406-F413 HydrophobicContact CZ-CB 4.33Å; F406-F413 AromaticContact CZ-CD2 3.78Å; F406-F413 HydrophobicContact CZ-CD2 3.78Å; F406-F413 HydrophobicContact CZ-CE2 4.2Å; F406-F413 HydrophobicContact CZ-CG 4.01Å; L407-F413 HydrophobicContact CD2-CD1 3.62Å; L407-F413 HydrophobicContact CD2-CE1 3.49Å; L407-F413 VanDerWaalsContact CD2-CE1 3.49Å; N410-F413 HydrophobicContact CB-CB 3.91Å; N410-F413 VanDerWaalsContact O-CB 3.24Å; N410-F413 WeakPolarHBondContact O-CB 3.46Å; N410-F413 PolarHBondContact O-N 3.4Å; F413-Q415 VanDerWaalsContact C-N 3.27Å; F413-Q415 PolarHBondContact O-N 3.4Å; F413-S416 PolarHBondContact O-N 3.46Å; F413-L417 HydrophobicContact CD1-CD1 3.96Å; F413-L417 HydrophobicContact CD1-CG 4.42Å; F413-L417 HydrophobicContact CE1-CD1 3.63Å; F413-L417 HydrophobicContact CE1-CG 4.26Å; F413-L417 HydrophobicContact CZ-CD1 4.31Å; F413-L417 HydrophobicContact CZ-CD2 4.43Å; F413-L417 WeakPolarHBondContact O-CG 3.34Å; F413-L417 PolarHBondContact O-N 2.92Å; F413-L417 VanDerWaalsContact O-N 3.08Å; F413-A428 HydrophobicContact CD2-CB 4.3Å; F413-A428 HydrophobicContact CE2-CB 4.1Å; F413-A428 WeakPolarHBondContact CE2-O 3.35Å; F413-L432 HydrophobicContact CE2-CB 4.09Å; F413-L492 HydrophobicContact CE1-CD1 4.17Å; F413-L492 HydrophobicContact CE1-CD2 4.39Å; F413-L492 HydrophobicContact CZ-CD1 4.32Å
414	S	68.4	Low	69.3	Low	48 Å²	48	86 Å²	86	34%	0.336	45%	0.451	S	S	.	.	H	α-helix	trans	-62.8	-29	175.9	-67.7	0	0	0	0	114	N410 A411 Q412 K418	N410-S414 PolarHBondContact O-N 3.33Å; A411-S414 WeakPolarHBondContact O-CB 3.4Å; A411-S414 PolarHBondContact O-N 3.18Å; Q412-S414 VanDerWaalsContact C-N 3.29Å; Q412-S414 PolarHBondContact O-N 3.05Å; S414-K418 WeakPolarHBondContact O-CG 3.16Å
415	Q	65.6	Low	67.8	Low	114 Å²	114	85.8 Å²	85.8	53%	0.533	45%	0.453	S	S	.	.	H	α-helix	trans	-75	-43	174.6	-70.4	175.2	-4.2	0	0	111.6	A411 Q412 F413 L417 K418 Q419	A411-Q415 WeakPolarHBondContact O-CG 3.26Å; A411-Q415 PolarHBondContact O-N 3.34Å; A411-Q415 VanDerWaalsContact O-N 3.08Å; Q412-Q415 WeakPolarHBondContact O-CB 3.48Å; Q412-Q415 PolarHBondContact O-N 3.25Å; F413-Q415 VanDerWaalsContact C-N 3.27Å; F413-Q415 PolarHBondContact O-N 3.4Å; Q415-L417 PolarHBondContact O-N 3.3Å; Q415-K418 PolarHBondContact O-N 3.28Å; Q415-Q419 PolarHBondContact O-N 3.47Å
416	S	66.9	Low	66.7	Low	57 Å²	57	85.5 Å²	85.5	40%	0.399	46%	0.464	S	S	.	.	H	α-helix	trans	-59.2	-34.9	174.8	-57.1	0	0	0	0	112.1	Q412 F413 K418	Q412-S416 PolarHBondContact O-N 3.01Å; Q412-S416 PolarHBondContact O-OG 3.29Å; Q412-S416 VanDerWaalsContact O-OG 3.13Å; F413-S416 PolarHBondContact O-N 3.46Å; S416-K418 VanDerWaalsContact C-N 3.29Å; S416-K418 PolarHBondContact O-N 2.98Å
417	L	71.3	Confident	66.1	Low	23 Å²	23	87.2 Å²	87.2	12%	0.12	48%	0.483	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-25.6	174.7	-65.3	-178.9	0	0	0	113.8	F413 Q415 A428 L492 I496 I500	F413-L417 HydrophobicContact CD1-CD1 3.96Å; F413-L417 HydrophobicContact CD1-CG 4.42Å; F413-L417 HydrophobicContact CE1-CD1 3.63Å; F413-L417 HydrophobicContact CE1-CG 4.26Å; F413-L417 HydrophobicContact CZ-CD1 4.31Å; F413-L417 HydrophobicContact CZ-CD2 4.43Å; F413-L417 WeakPolarHBondContact O-CG 3.34Å; F413-L417 PolarHBondContact O-N 2.92Å; F413-L417 VanDerWaalsContact O-N 3.08Å; Q415-L417 PolarHBondContact O-N 3.3Å; L417-A428 HydrophobicContact CD2-CB 4.46Å; L417-L492 HydrophobicContact CD1-CD1 4.26Å; L417-L492 HydrophobicContact CD1-CD2 4.42Å; L417-I496 HydrophobicContact CB-CD1 4.5Å; L417-I496 HydrophobicContact CB-CG2 4.12Å; L417-I496 HydrophobicContact CD1-CG2 3.92Å; L417-I496 HydrophobicContact CD2-CG2 3.56Å; L417-I496 HydrophobicContact CG-CG2 4.03Å; L417-I500 HydrophobicContact CD2-CD1 3.78Å; L417-I500 HydrophobicContact CD2-CG1 3.82Å
418	K	64.9	Low	65.9	Low	164 Å²	164	86.1 Å²	86.1	71%	0.713	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-23.3	-175.9	-73.7	175.3	-177.6	178.5	0	113.8	S414 Q415 S416 Q420	S414-K418 WeakPolarHBondContact O-CG 3.16Å; Q415-K418 PolarHBondContact O-N 3.28Å; S416-K418 VanDerWaalsContact C-N 3.29Å; S416-K418 PolarHBondContact O-N 2.98Å; K418-Q420 VanDerWaalsContact C-N 3.27Å; K418-Q420 PolarHBondContact O-N 2.88Å
419	Q	60.7	Low	66.3	Low	148 Å²	148	80 Å²	80	69%	0.692	45%	0.446	S	S	*	.	S	Bend	trans	-80.5	5.4	-169.2	-76.2	179.3	-7	0	0	115.5	Q415 N421	Q415-Q419 PolarHBondContact O-N 3.47Å; Q419-N421 PolarHBondContact O-N 3.47Å
420	Q	52.2	Low	66.5	Low	163 Å²	163	77.3 Å²	77.3	76%	0.762	43%	0.433	S	S	*	.			trans	49.8	2.1	166.3	-76.8	-167.1	-8.3	0	0	119.8	K418 L422	K418-Q420 VanDerWaalsContact C-N 3.27Å; K418-Q420 PolarHBondContact O-N 2.88Å; Q420-L422 PolarHBondContact O-N 2.85Å; Q420-L422 VanDerWaalsContact O-N 3.09Å
421	N	49.1	Very low	66.9	Low	140 Å²	140	78.2 Å²	78.2	75%	0.749	44%	0.438	S	S	*	.			trans	-85.1	71.8	164.1	-77	-16.7	0	0	0	109.1	Q419 D423 S424	Q419-N421 PolarHBondContact O-N 3.47Å; N421-D423 VanDerWaalsContact C-N 3.33Å; N421-S424 PolarHBondContact O-OG 3.01Å
422	L	52.4	Low	67.8	Low	64 Å²	64	75.2 Å²	75.2	34%	0.335	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-81.2	-4.8	-175.5	-88.8	131.3	0	0	0	114.5	Q420 S424 G425	Q420-L422 PolarHBondContact O-N 2.85Å; Q420-L422 VanDerWaalsContact O-N 3.09Å; L422-S424 PolarHBondContact O-N 3.48Å; L422-G425 PolarHBondContact O-N 3.21Å; L422-G425 VanDerWaalsContact O-N 3.17Å
423	D	49.4	Very low	69	Low	181 Å²	181	68.9 Å²	68.9	97%	0.968	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-65	-17.1	171.1	-66.1	-21.5	0	0	0	112	N421	N421-D423 VanDerWaalsContact C-N 3.33Å
424	S	51.6	Low	69.7	Low	92 Å²	92	71 Å²	71	64%	0.643	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-118.4	30.8	174.7	49.3	0	0	0	0	112.9	N421 L422 G426	N421-S424 PolarHBondContact O-OG 3.01Å; L422-S424 PolarHBondContact O-N 3.48Å; S424-G426 PolarHBondContact O-N 3.29Å
425	G	53	Low	70.8	Confident	15 Å²	15	69.3 Å²	69.3	16%	0.155	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	6.6	176.9	0	0	0	0	0	116.7	L422 G427 V429	L422-G425 PolarHBondContact O-N 3.21Å; L422-G425 VanDerWaalsContact O-N 3.17Å; G425-G427 VanDerWaalsContact C-N 3.33Å; G425-G427 PolarHBondContact O-N 2.86Å; G425-V429 VanDerWaalsContact O-CG2 3.28Å; G425-V429 WeakPolarHBondContact O-CG2 3.31Å; G425-V429 PolarHBondContact O-N 3.46Å
426	G	62.4	Low	72.1	Confident	44 Å²	44	64 Å²	64	45%	0.454	36%	0.358	S	S	.	.	H	α-helix	trans	-57.4	-38.9	175.2	0	0	0	0	0	113.6	S424 V429 E430	S424-G426 PolarHBondContact O-N 3.29Å; G426-V429 PolarHBondContact O-N 2.83Å; G426-E430 WeakPolarHBondContact O-CB 3.25Å; G426-E430 PolarHBondContact O-N 3.36Å
427	G	76.3	Confident	73.3	Confident	40 Å²	40	62.2 Å²	62.2	41%	0.412	34%	0.343	S	S	.	.	H	α-helix	trans	-65.8	-43.6	-175.7	0	0	0	0	0	114.3	G425 E430 L431	G425-G427 VanDerWaalsContact C-N 3.33Å; G425-G427 PolarHBondContact O-N 2.86Å; G427-E430 PolarHBondContact O-N 3.29Å; G427-L431 WeakPolarHBondContact O-CG 3.49Å; G427-L431 PolarHBondContact O-N 3.08Å
428	A	81.4	Confident	74.2	Confident	8 Å²	8	67.1 Å²	67.1	7%	0.066	37%	0.366	C	S	.	.	H	α-helix	trans	-69.6	-40.3	177.9	0	0	0	0	0	111.7	F413 L417 E430 L431 L432 I500	F413-A428 HydrophobicContact CD2-CB 4.3Å; F413-A428 HydrophobicContact CE2-CB 4.1Å; F413-A428 WeakPolarHBondContact CE2-O 3.35Å; L417-A428 HydrophobicContact CD2-CB 4.46Å; A428-E430 VanDerWaalsContact C-N 3.34Å; A428-L431 PolarHBondContact O-N 2.85Å; A428-L432 WeakPolarHBondContact O-CB 3.15Å; A428-L432 PolarHBondContact O-N 3.5Å; A428-I500 HydrophobicContact CB-CD1 4.21Å
429	V	87.9	Confident	75.2	Confident	3 Å²	3	62.1 Å²	62.1	2%	0.018	34%	0.342	C	S	.	.	H	α-helix	trans	-64.2	-41.9	176.4	175.4	0	0	0	0	110.6	G425 G426 L432 V433 I500 L503 V504 A523	G425-V429 VanDerWaalsContact O-CG2 3.28Å; G425-V429 WeakPolarHBondContact O-CG2 3.31Å; G425-V429 PolarHBondContact O-N 3.46Å; G426-V429 PolarHBondContact O-N 2.83Å; V429-L432 PolarHBondContact O-N 2.83Å; V429-V433 HydrophobicContact CG1-CG2 4.4Å; V429-V433 WeakPolarHBondContact O-CB 3.15Å; V429-V433 VanDerWaalsContact O-CG2 3.28Å; V429-V433 WeakPolarHBondContact O-CG2 3.33Å; V429-V433 PolarHBondContact O-N 3.16Å; V429-I500 HydrophobicContact CG2-CD1 4.31Å; V429-L503 HydrophobicContact CG2-CB 3.64Å; V429-L503 HydrophobicContact CG2-CD1 3.97Å; V429-L503 HydrophobicContact CG2-CG 4.48Å; V429-V504 HydrophobicContact CG1-CG2 3.88Å; V429-A523 HydrophobicContact CG1-CB 3.77Å
430	E	88	Confident	76.5	Confident	70 Å²	70	55.1 Å²	55.1	33%	0.327	31%	0.31	S	S	.	.	H	α-helix	trans	-63.8	-47.5	176.7	-179.9	174.7	-176.2	0	0	112.1	G426 G427 A428 L432 V433 N434 P522	G426-E430 WeakPolarHBondContact O-CB 3.25Å; G426-E430 PolarHBondContact O-N 3.36Å; G427-E430 PolarHBondContact O-N 3.29Å; A428-E430 VanDerWaalsContact C-N 3.34Å; E430-L432 VanDerWaalsContact C-N 3.29Å; E430-L432 PolarHBondContact O-N 2.85Å; E430-V433 PolarHBondContact O-N 3.16Å; E430-N434 WeakPolarHBondContact CG-ND2 3.06Å; E430-N434 VanDerWaalsContact O-CB 3.3Å; E430-N434 WeakPolarHBondContact O-CB 3.25Å; E430-N434 PolarHBondContact O-N 2.8Å; E430-N434 PolarHBondContact O-ND2 2.92Å; E430-P522 HydrophobicContact CG-CB 4.35Å
431	L	88.6	Confident	77.7	Confident	67 Å²	67	52.4 Å²	52.4	35%	0.351	30%	0.3	S	S	.	.	H	α-helix	trans	-55.8	-45.4	175	-75.5	172.7	0	0	0	111.7	G427 A428 F435	G427-L431 WeakPolarHBondContact O-CG 3.49Å; G427-L431 PolarHBondContact O-N 3.08Å; A428-L431 PolarHBondContact O-N 2.85Å; L431-F435 WeakPolarHBondContact O-CB 3.1Å; L431-F435 PolarHBondContact O-N 2.85Å
432	L	90.5	Very high	79.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.6	-46	179.6	176	58.9	0	0	0	112.2	F403 F406 F413 A428 V429 E430 F435 V436 I488 I500 V504	F403-L432 HydrophobicContact CD2-CD1 4.02Å; F403-L432 HydrophobicContact CE2-CD1 3.53Å; F403-L432 HydrophobicContact CE2-CD2 4.42Å; F406-L432 HydrophobicContact CD1-CD1 4.27Å; F406-L432 HydrophobicContact CE1-CD1 3.9Å; F406-L432 HydrophobicContact CZ-CD1 4.43Å; F413-L432 HydrophobicContact CE2-CB 4.09Å; A428-L432 WeakPolarHBondContact O-CB 3.15Å; A428-L432 PolarHBondContact O-N 3.5Å; V429-L432 PolarHBondContact O-N 2.83Å; E430-L432 VanDerWaalsContact C-N 3.29Å; E430-L432 PolarHBondContact O-N 2.85Å; L432-F435 HydrophobicContact CD1-CD1 4.25Å; L432-F435 WeakPolarHBondContact O-CB 3.48Å; L432-F435 PolarHBondContact O-N 2.77Å; L432-V436 HydrophobicContact CD1-CG2 4.49Å; L432-V436 WeakPolarHBondContact O-CG2 3.38Å; L432-V436 PolarHBondContact O-N 3.25Å; L432-I488 HydrophobicContact CD2-CD1 3.55Å; L432-I488 HydrophobicContact CD2-CG1 3.89Å; L432-I500 HydrophobicContact CD2-CG2 4Å; L432-V504 HydrophobicContact CD2-CG2 4.22Å
433	V	92.3	Very high	81.2	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.024	28%	0.276	C	S	.	.	H	α-helix	trans	-65.9	-39.6	179.6	168	0	0	0	0	111.1	V429 E430 F435 V436 D437 A523 T526 I527	V429-V433 HydrophobicContact CG1-CG2 4.4Å; V429-V433 WeakPolarHBondContact O-CB 3.15Å; V429-V433 VanDerWaalsContact O-CG2 3.28Å; V429-V433 WeakPolarHBondContact O-CG2 3.33Å; V429-V433 PolarHBondContact O-N 3.16Å; E430-V433 PolarHBondContact O-N 3.16Å; V433-F435 VanDerWaalsContact C-N 3.32Å; V433-F435 PolarHBondContact O-N 2.89Å; V433-V436 PolarHBondContact O-N 3.27Å; V433-D437 PolarHBondContact O-N 3.48Å; V433-A523 HydrophobicContact CG2-CB 4.38Å; V433-T526 HydrophobicContact CG1-CG2 3.64Å; V433-I527 HydrophobicContact CG1-CD1 4.35Å; V433-I527 HydrophobicContact CG1-CG1 3.54Å; V433-I527 HydrophobicContact CG2-CD1 4.05Å; V433-I527 HydrophobicContact CG2-CG1 4.12Å
434	N	91.1	Very high	83.2	Confident	45 Å²	45	43.6 Å²	43.6	24%	0.241	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-39.9	175	-73	-21.7	0	0	0	111.4	E430 D437 Q438 T526	E430-N434 WeakPolarHBondContact CG-ND2 3.06Å; E430-N434 VanDerWaalsContact O-CB 3.3Å; E430-N434 WeakPolarHBondContact O-CB 3.25Å; E430-N434 PolarHBondContact O-N 2.8Å; E430-N434 PolarHBondContact O-ND2 2.92Å; N434-D437 PolarHBondContact O-N 2.91Å; N434-Q438 WeakPolarHBondContact O-CB 3.44Å; N434-Q438 VanDerWaalsContact O-CG 3.29Å; N434-Q438 WeakPolarHBondContact O-CG 3.46Å; N434-Q438 PolarHBondContact O-N 3.45Å; N434-T526 WeakPolarHBondContact OD1-CG2 3.21Å; N434-T526 PolarHBondContact OD1-OG1 3.12Å
435	F	91.3	Very high	85.1	Confident	14 Å²	14	40.6 Å²	40.6	6%	0.061	24%	0.238	C	C	.	.	H	α-helix	trans	-59.5	-46.8	172	160.2	-97.2	0	0	0	111.8	P402 F406 L431 L432 V433 D437 Q438 R439	P402-F435 HydrophobicContact CB-CZ 3.93Å; P402-F435 WeakPolarHBondContact O-CZ 3.27Å; F406-F435 HydrophobicContact CB-CD1 4.14Å; F406-F435 HydrophobicContact CB-CD2 3.74Å; F406-F435 HydrophobicContact CB-CE1 3.94Å; F406-F435 HydrophobicContact CB-CE2 3.49Å; F406-F435 VanDerWaalsContact CB-CE2 3.49Å; F406-F435 HydrophobicContact CB-CG 4.05Å; F406-F435 HydrophobicContact CB-CZ 3.61Å; F406-F435 HydrophobicContact CD1-CD1 4.44Å; F406-F435 HydrophobicContact CD2-CB 3.63Å; F406-F435 HydrophobicContact CD2-CD1 4.08Å; F406-F435 AromaticContact CD2-CD2 3.51Å; F406-F435 HydrophobicContact CD2-CD2 3.51Å; F406-F435 HydrophobicContact CD2-CE2 4.19Å; F406-F435 AromaticContact CD2-CG 3.44Å; F406-F435 HydrophobicContact CD2-CG 3.44Å; F406-F435 VanDerWaalsContact CD2-CG 3.44Å; F406-F435 HydrophobicContact CE2-CB 3.69Å; F406-F435 HydrophobicContact CE2-CD2 4.41Å; F406-F435 HydrophobicContact CE2-CG 4.02Å; F406-F435 HydrophobicContact CG-CB 4.36Å; F406-F435 AromaticContact CG-CD1 3.96Å; F406-F435 HydrophobicContact CG-CD1 3.96Å; F406-F435 AromaticContact CG-CD2 3.87Å; F406-F435 HydrophobicContact CG-CD2 3.87Å; F406-F435 HydrophobicContact CG-CE1 4.25Å; F406-F435 HydrophobicContact CG-CE2 4.14Å; F406-F435 AromaticContact CG-CG 3.77Å; F406-F435 HydrophobicContact CG-CG 3.77Å; F406-F435 HydrophobicContact CG-CZ 4.33Å; F406-F435 HydrophobicContact CZ-CB 4.45Å; L431-F435 WeakPolarHBondContact O-CB 3.1Å; L431-F435 PolarHBondContact O-N 2.85Å; L432-F435 HydrophobicContact CD1-CD1 4.25Å; L432-F435 WeakPolarHBondContact O-CB 3.48Å; L432-F435 PolarHBondContact O-N 2.77Å; V433-F435 VanDerWaalsContact C-N 3.32Å; V433-F435 PolarHBondContact O-N 2.89Å; F435-D437 VanDerWaalsContact C-N 3.33Å; F435-D437 PolarHBondContact O-N 3.23Å; F435-Q438 PolarHBondContact O-N 2.88Å; F435-R439 HydrophobicContact CD2-CG 3.72Å; F435-R439 HydrophobicContact CE1-CG 4.21Å; F435-R439 HydrophobicContact CE2-CB 4.39Å; F435-R439 HydrophobicContact CE2-CG 3.15Å; F435-R439 HydrophobicContact CG-CG 4.45Å; F435-R439 HydrophobicContact CZ-CB 4.34Å; F435-R439 HydrophobicContact CZ-CG 3.42Å; F435-R439 VanDerWaalsContact CZ-CG 3.42Å; F435-R439 WeakPolarHBondContact O-CB 3.38Å; F435-R439 WeakPolarHBondContact O-CG 3.34Å; F435-R439 PolarHBondContact O-N 3.22Å
436	V	92.5	Very high	87.1	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.018	23%	0.23	C	C	.	.	H	α-helix	trans	-61.8	-43.4	178.6	175.2	0	0	0	0	110.8	F399 L432 V433 Q438 R439 L440 L479 L484 M530	F399-V436 HydrophobicContact CE1-CG1 4.35Å; L432-V436 HydrophobicContact CD1-CG2 4.49Å; L432-V436 WeakPolarHBondContact O-CG2 3.38Å; L432-V436 PolarHBondContact O-N 3.25Å; V433-V436 PolarHBondContact O-N 3.27Å; V436-Q438 PolarHBondContact O-N 3.3Å; V436-R439 PolarHBondContact O-N 3.3Å; V436-L440 WeakPolarHBondContact O-CB 3.4Å; V436-L440 PolarHBondContact O-N 3.15Å; V436-L479 HydrophobicContact CG1-CD2 4.41Å; V436-L484 HydrophobicContact CG2-CD1 3.83Å; V436-L484 HydrophobicContact CG2-CD2 3.92Å; V436-M530 HydrophobicContact CG1-SD 4.01Å
437	D	92.5	Very high	88.6	Confident	18 Å²	18	39 Å²	39	10%	0.096	22%	0.216	C	C	.	.	H	α-helix	trans	-59.2	-46.8	176.9	-177.8	31.1	0	0	0	112	V433 N434 F435 T526 R533	V433-D437 PolarHBondContact O-N 3.48Å; N434-D437 PolarHBondContact O-N 2.91Å; F435-D437 VanDerWaalsContact C-N 3.33Å; F435-D437 PolarHBondContact O-N 3.23Å; D437-T526 HydrophobicContact CB-CG2 3.82Å; D437-R533 PolarHBondContact O-NH2 2.99Å; D437-R533 VanDerWaalsContact O-NH2 3.16Å; D437-R533 IonicContact OD1-CZ 2.91Å; D437-R533 IonicContact OD1-NH1 2.67Å; D437-R533 PolarHBondContact OD1-NH1 3.43Å; D437-R533 IonicContact OD1-NH2 3.61Å; D437-R533 PolarHBondContact OD1-NH2 2.93Å; D437-R533 IonicContact OD2-NH1 3.76Å
438	Q	89.4	Confident	89.5	Confident	127 Å²	127	42.4 Å²	42.4	59%	0.593	22%	0.216	S	C	*	.	H	α-helix	trans	-65.3	-45.1	177.4	-71.8	174.8	4.5	0	0	112.1	N434 F435 V436 L440 L441	N434-Q438 WeakPolarHBondContact O-CB 3.44Å; N434-Q438 VanDerWaalsContact O-CG 3.29Å; N434-Q438 WeakPolarHBondContact O-CG 3.46Å; N434-Q438 PolarHBondContact O-N 3.45Å; F435-Q438 PolarHBondContact O-N 2.88Å; V436-Q438 PolarHBondContact O-N 3.3Å; Q438-L440 PolarHBondContact O-N 3.29Å; Q438-L441 PolarHBondContact O-N 3.31Å
439	R	86.8	Confident	90.2	Very high	59 Å²	59	42 Å²	42	22%	0.223	21%	0.213	C	C	.	.	H	α-helix	trans	-69.8	-33.3	-177.8	-76.2	-55.3	-173.7	-139.8	-4.4	113.2	P402 E409 F435 V436 L441 T442 I443	P402-R439 HydrophobicContact CB-CG 4.37Å; E409-R439 IonicContact OE2-NH2 2.72Å; F435-R439 HydrophobicContact CD2-CG 3.72Å; F435-R439 HydrophobicContact CE1-CG 4.21Å; F435-R439 HydrophobicContact CE2-CB 4.39Å; F435-R439 HydrophobicContact CE2-CG 3.15Å; F435-R439 HydrophobicContact CG-CG 4.45Å; F435-R439 HydrophobicContact CZ-CB 4.34Å; F435-R439 HydrophobicContact CZ-CG 3.42Å; F435-R439 VanDerWaalsContact CZ-CG 3.42Å; F435-R439 WeakPolarHBondContact O-CB 3.38Å; F435-R439 WeakPolarHBondContact O-CG 3.34Å; F435-R439 PolarHBondContact O-N 3.22Å; V436-R439 PolarHBondContact O-N 3.3Å; R439-L441 PolarHBondContact O-N 2.95Å; R439-T442 WeakPolarHBondContact CA-OG1 3.11Å; R439-T442 CarbonylContact O-C 3.56Å; R439-T442 WeakPolarHBondContact O-CA 3.37Å; R439-T442 PolarHBondContact O-N 3.32Å; R439-T442 PolarHBondContact O-OG1 3.06Å; R439-I443 HydrophobicContact CB-CD1 4.19Å; R439-I443 WeakPolarHBondContact O-CG1 3.38Å; R439-I443 PolarHBondContact O-N 3.29Å; R439-I443 VanDerWaalsContact O-N 3.12Å
440	L	86.8	Confident	90.6	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-55.4	-40.1	178.6	-174.4	65.5	0	0	0	111.3	F399 V436 Q438 T442 I443 A446 T447 L450 M530 I534	F399-L440 HydrophobicContact CE2-CD1 4.48Å; F399-L440 HydrophobicContact CZ-CD1 3.85Å; V436-L440 WeakPolarHBondContact O-CB 3.4Å; V436-L440 PolarHBondContact O-N 3.15Å; Q438-L440 PolarHBondContact O-N 3.29Å; L440-T442 VanDerWaalsContact C-N 3.26Å; L440-T442 PolarHBondContact O-N 3.01Å; L440-I443 PolarHBondContact O-N 3.3Å; L440-A446 HydrophobicContact CD1-CB 4.13Å; L440-T447 PolarHBondContact O-OG1 3.3Å; L440-L450 HydrophobicContact CD1-CD1 3.66Å; L440-L450 HydrophobicContact CD2-CD1 4.24Å; L440-M530 HydrophobicContact CD2-CG 3.68Å; L440-M530 HydrophobicContact CD2-SD 3.9Å; L440-I534 HydrophobicContact CD2-CD1 3.74Å; L440-I534 HydrophobicContact CD2-CG1 4.15Å
441	L	78.6	Confident	90.9	Very high	106 Å²	106	38.8 Å²	38.8	56%	0.555	20%	0.198	S	C	*	.	H	α-helix	trans	-63.4	-29.2	175.1	-66.3	177.3	0	0	0	113.8	Q438 R439 R533	Q438-L441 PolarHBondContact O-N 3.31Å; R439-L441 PolarHBondContact O-N 2.95Å; L441-R533 VanDerWaalsContact CD2-CZ 3.47Å
442	T	84.9	Confident	91.3	Very high	79 Å²	79	35.9 Å²	35.9	49%	0.485	18%	0.183	S	C	.	.	H	α-helix	trans	-93.5	-2.9	-177.2	61.9	0	0	0	0	113.8	R439 L440 P444	R439-T442 WeakPolarHBondContact CA-OG1 3.11Å; R439-T442 CarbonylContact O-C 3.56Å; R439-T442 WeakPolarHBondContact O-CA 3.37Å; R439-T442 PolarHBondContact O-N 3.32Å; R439-T442 PolarHBondContact O-OG1 3.06Å; L440-T442 VanDerWaalsContact C-N 3.26Å; L440-T442 PolarHBondContact O-N 3.01Å; T442-P444 WeakPolarHBondContact O-CD 3.39Å
443	I	90.2	Very high	91.5	Very high	21 Å²	21	36 Å²	36	11%	0.108	18%	0.184	C	C	.	.			trans	-118.2	85.2	179.6	-54.9	165.5	0	0	0	108.8	L398 F399 P402 R439 L440 L445 A446 T447	L398-I443 HydrophobicContact CB-CG2 4.07Å; L398-I443 HydrophobicContact CD2-CG2 4.16Å; L398-I443 HydrophobicContact CG-CG2 4.5Å; F399-I443 HydrophobicContact CD1-CD1 4.29Å; F399-I443 HydrophobicContact CE1-CD1 4.16Å; P402-I443 HydrophobicContact CG-CD1 3.87Å; R439-I443 HydrophobicContact CB-CD1 4.19Å; R439-I443 WeakPolarHBondContact O-CG1 3.38Å; R439-I443 PolarHBondContact O-N 3.29Å; R439-I443 VanDerWaalsContact O-N 3.12Å; L440-I443 PolarHBondContact O-N 3.3Å; I443-L445 PolarHBondContact O-N 2.94Å; I443-L445 VanDerWaalsContact O-N 3.17Å; I443-A446 HydrophobicContact CB-CB 4.05Å; I443-A446 HydrophobicContact CG2-CB 3.6Å; I443-A446 PolarHBondContact O-N 3.05Å; I443-T447 PolarHBondContact O-N 2.94Å; I443-T447 VanDerWaalsContact O-N 3.12Å
444	P	90.8	Very high	91.6	Very high	100 Å²	100	35.9 Å²	35.9	65%	0.649	18%	0.183	S	C	*	.	H	α-helix	trans	-56.3	-36.9	-174.6	-27.5	34.8	0	0	0	113.7	T442 A446 T447 R448	T442-P444 WeakPolarHBondContact O-CD 3.39Å; P444-A446 PolarHBondContact O-N 3.21Å; P444-T447 PolarHBondContact O-N 3.27Å; P444-R448 VanDerWaalsContact O-CB 3.29Å; P444-R448 WeakPolarHBondContact O-CB 3.3Å; P444-R448 PolarHBondContact O-N 2.97Å
445	L	92.8	Very high	91.8	Very high	29 Å²	29	36.2 Å²	36.2	15%	0.152	18%	0.183	C	C	.	.	H	α-helix	trans	-66.4	-35.1	178.9	-67.2	179.6	0	0	0	112.9	T150 Y353 P357 L398 I443 L449	T150-L445 HydrophobicContact CG2-CD1 3.95Å; Y353-L445 HydrophobicContact CE1-CB 4.07Å; Y353-L445 HydrophobicContact CE1-CD2 4.4Å; Y353-L445 PolarHBondContact OH-O 2.88Å; P357-L445 HydrophobicContact CB-CD2 3.53Å; P357-L445 HydrophobicContact CG-CD2 3.87Å; L398-L445 HydrophobicContact CD1-CB 3.71Å; L398-L445 HydrophobicContact CD2-CB 3.89Å; L398-L445 HydrophobicContact CD2-CD1 3.96Å; L398-L445 HydrophobicContact CG-CB 4.49Å; I443-L445 PolarHBondContact O-N 2.94Å; I443-L445 VanDerWaalsContact O-N 3.17Å; L445-L449 WeakPolarHBondContact O-CB 3.34Å; L445-L449 PolarHBondContact O-N 2.68Å; L445-L449 VanDerWaalsContact O-N 3.14Å
446	A	94.4	Very high	91.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-73.7	-45	177.9	0	0	0	0	0	110	L395 L398 F399 L440 I443 P444 R448 L449 L450	L395-A446 HydrophobicContact CD2-CB 4.08Å; L398-A446 HydrophobicContact CB-CB 4.38Å; L398-A446 HydrophobicContact CD1-CB 4.01Å; F399-A446 HydrophobicContact CE2-CB 3.72Å; F399-A446 HydrophobicContact CZ-CB 4.14Å; L440-A446 HydrophobicContact CD1-CB 4.13Å; I443-A446 HydrophobicContact CB-CB 4.05Å; I443-A446 HydrophobicContact CG2-CB 3.6Å; I443-A446 PolarHBondContact O-N 3.05Å; P444-A446 PolarHBondContact O-N 3.21Å; A446-R448 PolarHBondContact O-N 3.33Å; A446-L449 PolarHBondContact O-N 2.85Å; A446-L450 WeakPolarHBondContact O-CG 3.29Å; A446-L450 PolarHBondContact O-N 2.97Å
447	T	94.1	Very high	92	Very high	24 Å²	24	35.5 Å²	35.5	15%	0.147	18%	0.18	C	C	.	.	H	α-helix	trans	-59.5	-45.8	175.3	-69.6	0	0	0	0	111.6	L440 I443 P444 L449 L450 T451 L537	L440-T447 PolarHBondContact O-OG1 3.3Å; I443-T447 PolarHBondContact O-N 2.94Å; I443-T447 VanDerWaalsContact O-N 3.12Å; P444-T447 PolarHBondContact O-N 3.27Å; T447-L449 PolarHBondContact O-N 3.21Å; T447-L450 PolarHBondContact O-N 3.19Å; T447-T451 WeakPolarHBondContact O-CB 3.44Å; T447-T451 PolarHBondContact O-N 2.96Å; T447-T451 PolarHBondContact O-OG1 3.3Å; T447-L537 HydrophobicContact CG2-CD1 3.85Å
448	R	94.3	Very high	91.9	Very high	112 Å²	112	35.7 Å²	35.7	42%	0.423	19%	0.186	S	C	.	.	H	α-helix	trans	-58	-47	175.5	176.5	174	-76.2	169	-3.6	111.7	S361 P444 A446 L450 T451 I452	S361-R448 WeakPolarHBondContact OG-CD 3.25Å; P444-R448 VanDerWaalsContact O-CB 3.29Å; P444-R448 WeakPolarHBondContact O-CB 3.3Å; P444-R448 PolarHBondContact O-N 2.97Å; A446-R448 PolarHBondContact O-N 3.33Å; R448-L450 PolarHBondContact O-N 3.22Å; R448-T451 WeakPolarHBondContact O-CB 3.42Å; R448-T451 PolarHBondContact O-N 3.19Å; R448-I452 HydrophobicContact CG-CD1 4.12Å; R448-I452 WeakPolarHBondContact O-CG1 3.1Å; R448-I452 PolarHBondContact O-N 3.4Å
449	L	95.8	Very high	91.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.9	-42.7	-179	-175.5	56.7	0	0	0	112.4	Y353 I364 I391 C394 L395 L445 A446 T447 I452 A453	Y353-L449 HydrophobicContact CE1-CB 4.37Å; Y353-L449 HydrophobicContact CE1-CD2 4.37Å; Y353-L449 PolarHBondContact OH-N 3.46Å; I364-L449 HydrophobicContact CD1-CD1 4Å; I364-L449 HydrophobicContact CG2-CD1 3.68Å; I391-L449 HydrophobicContact CG1-CD1 4.42Å; I391-L449 HydrophobicContact CG2-CD2 4.16Å; I391-L449 HydrophobicContact CG2-CG 4.28Å; C394-L449 HydrophobicContact CB-CD2 3.38Å; L395-L449 HydrophobicContact CD2-CB 4.47Å; L395-L449 HydrophobicContact CD2-CD2 3.85Å; L395-L449 HydrophobicContact CD2-CG 4.42Å; L395-L449 HydrophobicContact CG-CD2 3.79Å; L445-L449 WeakPolarHBondContact O-CB 3.34Å; L445-L449 PolarHBondContact O-N 2.68Å; L445-L449 VanDerWaalsContact O-N 3.14Å; A446-L449 PolarHBondContact O-N 2.85Å; T447-L449 PolarHBondContact O-N 3.21Å; L449-I452 PolarHBondContact O-N 3.06Å; L449-A453 PolarHBondContact O-N 3.49Å; L449-A453 VanDerWaalsContact O-N 3.13Å
450	L	96.6	Very high	92	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-70.4	-32.5	176	-66.3	177.5	0	0	0	112.6	L395 L440 A446 T447 R448 A453 A454 L475 L479 I534	L395-L450 HydrophobicContact CD1-CD2 3.9Å; L395-L450 HydrophobicContact CD2-CD2 4.43Å; L395-L450 HydrophobicContact CD2-CG 4.33Å; L440-L450 HydrophobicContact CD1-CD1 3.66Å; L440-L450 HydrophobicContact CD2-CD1 4.24Å; A446-L450 WeakPolarHBondContact O-CG 3.29Å; A446-L450 PolarHBondContact O-N 2.97Å; T447-L450 PolarHBondContact O-N 3.19Å; R448-L450 PolarHBondContact O-N 3.22Å; L450-A453 PolarHBondContact O-N 2.83Å; L450-A454 WeakPolarHBondContact O-CB 3.4Å; L450-A454 PolarHBondContact O-N 3.43Å; L450-L475 HydrophobicContact CB-CD2 3.95Å; L450-L475 HydrophobicContact CD2-CD2 4.1Å; L450-L479 HydrophobicContact CD1-CB 4.42Å; L450-L479 HydrophobicContact CD1-CD1 4.29Å; L450-L479 HydrophobicContact CD1-CD2 3.91Å; L450-L479 HydrophobicContact CD1-CG 4.43Å; L450-L479 HydrophobicContact CD2-CB 4.2Å; L450-I534 HydrophobicContact CB-CD1 3.95Å; L450-I534 HydrophobicContact CB-CG2 4.32Å; L450-I534 HydrophobicContact CD1-CD1 3.81Å
451	T	95.5	Very high	92	Very high	6 Å²	6	37 Å²	37	4%	0.037	20%	0.2	C	C	.	.	H	α-helix	trans	-64.1	-45.2	173.9	-55.9	0	0	0	0	110.4	T447 R448 A453 A454 E455 V538	T447-T451 WeakPolarHBondContact O-CB 3.44Å; T447-T451 PolarHBondContact O-N 2.96Å; T447-T451 PolarHBondContact O-OG1 3.3Å; R448-T451 WeakPolarHBondContact O-CB 3.42Å; R448-T451 PolarHBondContact O-N 3.19Å; T451-A453 VanDerWaalsContact C-N 3.33Å; T451-A453 PolarHBondContact O-N 3.44Å; T451-A454 PolarHBondContact O-N 3.48Å; T451-E455 WeakPolarHBondContact O-CB 3.47Å; T451-E455 PolarHBondContact O-N 3.42Å; T451-V538 HydrophobicContact CG2-CG2 3.58Å
452	I	95.8	Very high	91.4	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.031	19%	0.193	C	C	.	.	H	α-helix	trans	-58.5	-46.1	174.6	-66.6	165.7	0	0	0	110.6	S361 R365 I368 R448 L449 A454 E455 C456	S361-I452 VanDerWaalsContact OG-CD1 3.29Å; S361-I452 WeakPolarHBondContact OG-CD1 3.13Å; R365-I452 HydrophobicContact CB-CG2 3.81Å; R365-I452 HydrophobicContact CG-CG2 4.28Å; I368-I452 HydrophobicContact CD1-CG2 4.07Å; R448-I452 HydrophobicContact CG-CD1 4.12Å; R448-I452 WeakPolarHBondContact O-CG1 3.1Å; R448-I452 PolarHBondContact O-N 3.4Å; L449-I452 PolarHBondContact O-N 3.06Å; I452-A454 PolarHBondContact O-N 3.36Å; I452-E455 PolarHBondContact O-N 2.74Å; I452-C456 PolarHBondContact O-N 2.9Å; I452-C456 PolarHBondContact O-SG 2.99Å
453	A	95.8	Very high	90.5	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-41.7	178.7	0	0	0	0	0	112.5	I368 L449 L450 T451 A457 L478	I368-A453 HydrophobicContact CD1-CB 4.12Å; L449-A453 PolarHBondContact O-N 3.49Å; L449-A453 VanDerWaalsContact O-N 3.13Å; L450-A453 PolarHBondContact O-N 2.83Å; T451-A453 VanDerWaalsContact C-N 3.33Å; T451-A453 PolarHBondContact O-N 3.44Å; A453-A457 WeakPolarHBondContact O-CB 3.38Å; A453-A457 PolarHBondContact O-N 2.89Å; A453-L478 HydrophobicContact CB-CD1 3.57Å
454	A	94.8	Very high	89.1	Confident	2 Å²	2	42 Å²	42	2%	0.017	23%	0.23	C	C	.	.	H	α-helix	trans	-66.1	-41.5	176.8	0	0	0	0	0	112.1	L450 T451 I452 A457 G458 I471 L475 I534 V538	L450-A454 WeakPolarHBondContact O-CB 3.4Å; L450-A454 PolarHBondContact O-N 3.43Å; T451-A454 PolarHBondContact O-N 3.48Å; I452-A454 PolarHBondContact O-N 3.36Å; A454-A457 PolarHBondContact O-N 3.3Å; A454-G458 PolarHBondContact O-N 2.56Å; A454-I471 HydrophobicContact CB-CG2 3.82Å; A454-L475 HydrophobicContact CB-CD1 4.33Å; A454-L475 HydrophobicContact CB-CD2 4.19Å; A454-L475 HydrophobicContact CB-CG 4.45Å; A454-I534 HydrophobicContact CB-CG2 3.93Å; A454-V538 HydrophobicContact CB-CG2 3.91Å
455	E	94.3	Very high	87.8	Confident	52 Å²	52	45.4 Å²	45.4	24%	0.243	24%	0.238	C	C	.	.	H	α-helix	trans	-61.9	-50	176.4	-174.5	-169.5	147.3	0	0	111.2	R365 T451 I452 A457 G458 C459 V538	R365-E455 IonicContact CZ-OE1 3.7Å; R365-E455 VanDerWaalsContact CZ-OE1 3.31Å; R365-E455 IonicContact CZ-OE2 3.88Å; R365-E455 IonicContact NH1-OE1 3.88Å; R365-E455 PolarHBondContact NH1-OE1 3.35Å; R365-E455 IonicContact NH1-OE2 3.51Å; R365-E455 PolarHBondContact NH1-OE2 2.86Å; R365-E455 IonicContact NH2-OE1 3.94Å; R365-E455 PolarHBondContact NH2-OE1 3.1Å; R365-E455 IonicContact NH2-OE2 3.8Å; R365-E455 PolarHBondContact NH2-OE2 3.06Å; T451-E455 WeakPolarHBondContact O-CB 3.47Å; T451-E455 PolarHBondContact O-N 3.42Å; I452-E455 PolarHBondContact O-N 2.74Å; E455-A457 VanDerWaalsContact C-N 3.32Å; E455-A457 PolarHBondContact O-N 3.12Å; E455-G458 CarbonylContact O-C 3.47Å; E455-G458 WeakPolarHBondContact O-CA 3.44Å; E455-G458 PolarHBondContact O-N 2.85Å; E455-C459 PolarHBondContact O-N 2.94Å; E455-C459 PolarHBondContact O-SG 2.84Å; E455-C459 VanDerWaalsContact O-SG 3.36Å; E455-V538 HydrophobicContact CB-CG1 3.81Å; E455-V538 HydrophobicContact CB-CG2 4.17Å; E455-V538 HydrophobicContact CG-CG1 3.97Å
456	C	94.1	Very high	86.4	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.014	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-39.9	178.8	-60.5	0	0	0	0	111.9	I368 N369 L372 I452 G458 C459 R460	I368-C456 HydrophobicContact CB-CB 4.39Å; I368-C456 HydrophobicContact CG2-CB 3.3Å; N369-C456 VanDerWaalsContact OD1-CB 3.27Å; N369-C456 WeakPolarHBondContact OD1-CB 3.15Å; N369-C456 PolarHBondContact OD1-SG 3.35Å; L372-C456 HydrophobicContact CD1-CB 3.73Å; I452-C456 PolarHBondContact O-N 2.9Å; I452-C456 PolarHBondContact O-SG 2.99Å; C456-G458 VanDerWaalsContact C-N 3.32Å; C456-C459 PolarHBondContact O-N 2.81Å; C456-R460 PolarHBondContact O-N 2.95Å; C456-R460 VanDerWaalsContact O-N 3.13Å
457	A	93	Very high	85.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.1	-39.2	173.1	0	0	0	0	0	111.5	L372 A453 A454 E455 R460 F461 I471 T474	L372-A457 HydrophobicContact CD1-CB 4.44Å; A453-A457 WeakPolarHBondContact O-CB 3.38Å; A453-A457 PolarHBondContact O-N 2.89Å; A454-A457 PolarHBondContact O-N 3.3Å; E455-A457 VanDerWaalsContact C-N 3.32Å; E455-A457 PolarHBondContact O-N 3.12Å; A457-R460 PolarHBondContact O-N 2.94Å; A457-F461 HydrophobicContact CB-CD2 4.27Å; A457-F461 WeakPolarHBondContact O-CB 3.48Å; A457-F461 VanDerWaalsContact O-CD2 3.26Å; A457-F461 WeakPolarHBondContact O-CD2 3.46Å; A457-F461 PolarHBondContact O-N 2.96Å; A457-I471 HydrophobicContact CB-CG1 4.29Å; A457-I471 HydrophobicContact CB-CG2 4.39Å; A457-T474 HydrophobicContact CB-CG2 4.11Å
458	G	91.3	Very high	85.1	Confident	22 Å²	22	57 Å²	57	23%	0.227	29%	0.289	C	S	.	.	H	α-helix	trans	-62.6	-41.2	173.2	0	0	0	0	0	112.6	A454 E455 C456 R460 G462	A454-G458 PolarHBondContact O-N 2.56Å; E455-G458 CarbonylContact O-C 3.47Å; E455-G458 WeakPolarHBondContact O-CA 3.44Å; E455-G458 PolarHBondContact O-N 2.85Å; C456-G458 VanDerWaalsContact C-N 3.32Å; G458-R460 PolarHBondContact O-N 2.87Å; G458-G462 WeakPolarHBondContact O-CA 3.3Å; G458-G462 PolarHBondContact O-N 3.02Å
459	C	89.9	Confident	84.8	Confident	94 Å²	94	53 Å²	53	64%	0.635	28%	0.275	S	S	*	.	H	α-helix	trans	-65.5	-27.8	174.1	-64	0	0	0	0	113	E455 C456	E455-C459 PolarHBondContact O-N 2.94Å; E455-C459 PolarHBondContact O-SG 2.84Å; E455-C459 VanDerWaalsContact O-SG 3.36Å; C456-C459 PolarHBondContact O-N 2.81Å
460	R	89.1	Confident	84.6	Confident	113 Å²	113	53.2 Å²	53.2	43%	0.426	28%	0.276	S	S	.	.	H	α-helix	trans	-87.7	-35.4	-178.2	176.3	60.1	-173.2	96.5	-4.9	113.9	L372 C456 A457 G458	L372-R460 HydrophobicContact CB-CB 4.48Å; L372-R460 HydrophobicContact CB-CG 4.34Å; L372-R460 PolarHBondContact O-NE 3.16Å; C456-R460 PolarHBondContact O-N 2.95Å; C456-R460 VanDerWaalsContact O-N 3.13Å; A457-R460 PolarHBondContact O-N 2.94Å; G458-R460 PolarHBondContact O-N 2.87Å
461	F	85.2	Confident	84.4	Confident	8 Å²	8	53.9 Å²	53.9	4%	0.035	28%	0.28	C	S	.	.	H	α-helix	trans	-123.6	-2.4	-170.5	-55.2	-63.1	0	0	0	112.9	L372 V380 A457 D463 E467 L470	L372-F461 HydrophobicContact CD2-CE2 3.96Å; L372-F461 HydrophobicContact CD2-CZ 4.4Å; V380-F461 HydrophobicContact CG2-CE2 4.18Å; V380-F461 HydrophobicContact CG2-CZ 4.43Å; A457-F461 HydrophobicContact CB-CD2 4.27Å; A457-F461 WeakPolarHBondContact O-CB 3.48Å; A457-F461 VanDerWaalsContact O-CD2 3.26Å; A457-F461 WeakPolarHBondContact O-CD2 3.46Å; A457-F461 PolarHBondContact O-N 2.96Å; F461-D463 PolarHBondContact O-N 2.91Å; F461-E467 WeakPolarHBondContact CA-OE2 2.9Å; F461-E467 HydrophobicContact CB-CB 4.44Å; F461-E467 WeakPolarHBondContact CB-OE2 3.34Å; F461-E467 WeakPolarHBondContact O-CB 3.07Å; F461-L470 HydrophobicContact CB-CB 4.18Å; F461-L470 HydrophobicContact CB-CD1 3.97Å; F461-L470 HydrophobicContact CD1-CD1 3.64Å; F461-L470 HydrophobicContact CD2-CB 4.09Å; F461-L470 HydrophobicContact CE1-CD1 4.25Å; F461-L470 HydrophobicContact CG-CB 4.09Å; F461-L470 HydrophobicContact CG-CD1 3.8Å
462	G	67.3	Low	84.3	Confident	41 Å²	41	54.1 Å²	54.1	42%	0.423	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	0.9	-166.6	0	0	0	0	0	115.8	G458 E464	G458-G462 WeakPolarHBondContact O-CA 3.3Å; G458-G462 PolarHBondContact O-N 3.02Å; G462-E464 PolarHBondContact O-N 2.93Å
463	D	65.3	Low	84.2	Confident	157 Å²	157	57 Å²	57	84%	0.84	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.7	-179.4	-71.1	-23.2	0	0	0	112.3	F461	F461-D463 PolarHBondContact O-N 2.91Å
464	E	61.9	Low	84.1	Confident	114 Å²	114	56.9 Å²	56.9	53%	0.533	29%	0.29	S	S	.	.	S	Bend	trans	-120.4	129.1	177	-62.4	-170.1	-177.4	0	0	112.2	G462 H466 E467	G462-E464 PolarHBondContact O-N 2.93Å; E464-H466 PolarHBondContact O-N 3.09Å; E464-E467 HydrophobicContact CB-CG 4.32Å; E464-E467 PolarHBondContact O-N 2.75Å
465	Q	62.1	Low	84.2	Confident	171 Å²	171	56.8 Å²	56.8	80%	0.799	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-55.1	-23.2	177.7	-72.6	-177.1	-14.3	0	0	113.6	E467	Q465-E467 VanDerWaalsContact C-N 3.29Å; Q465-E467 PolarHBondContact O-N 3.31Å
466	H	64.2	Low	84.3	Confident	141 Å²	141	54.6 Å²	54.6	65%	0.653	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-75	-13.7	178.8	-61.9	95.7	0	0	0	113.9	E464 H469	E464-H466 PolarHBondContact O-N 3.09Å; H466-H469 PolarHBondContact O-ND1 2.75Å
467	E	75.9	Confident	84.3	Confident	61 Å²	61	55 Å²	55	29%	0.285	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-97.5	3.7	-174.6	-69.5	-162.2	172.3	0	0	114.2	F461 E464 Q465 H469 L470	F461-E467 WeakPolarHBondContact CA-OE2 2.9Å; F461-E467 HydrophobicContact CB-CB 4.44Å; F461-E467 WeakPolarHBondContact CB-OE2 3.34Å; F461-E467 WeakPolarHBondContact O-CB 3.07Å; E464-E467 HydrophobicContact CB-CG 4.32Å; E464-E467 PolarHBondContact O-N 2.75Å; Q465-E467 VanDerWaalsContact C-N 3.29Å; Q465-E467 PolarHBondContact O-N 3.31Å; E467-H469 PolarHBondContact O-N 2.78Å; E467-L470 HydrophobicContact CB-CD1 4.14Å; E467-L470 HydrophobicContact CB-CG 4.48Å; E467-L470 HydrophobicContact CG-CD1 4.18Å; E467-L470 VanDerWaalsContact O-CB 3.29Å; E467-L470 WeakPolarHBondContact O-CB 3.32Å; E467-L470 PolarHBondContact O-N 2.83Å
468	Q	84.4	Confident	84.4	Confident	95 Å²	95	55 Å²	55	44%	0.444	28%	0.283	S	S	.	.	H	α-helix	trans	-54.6	-28.3	175	-74	-168.5	-10	0	0	113.6	L470 I471 K472	Q468-L470 PolarHBondContact O-N 3.11Å; Q468-I471 PolarHBondContact O-N 3.17Å; Q468-K472 PolarHBondContact O-N 3.26Å
469	H	88.8	Confident	84.7	Confident	27 Å²	27	54 Å²	54	13%	0.125	27%	0.272	C	S	.	.	H	α-helix	trans	-62.8	-26.9	175.3	77.5	-82.7	0	0	0	112.5	H466 E467 K472 R473 Q514	H466-H469 PolarHBondContact O-ND1 2.75Å; E467-H469 PolarHBondContact O-N 2.78Å; H469-K472 PolarHBondContact O-N 2.79Å; H469-R473 WeakPolarHBondContact O-CG 3.02Å; H469-R473 PolarHBondContact O-N 2.85Å; H469-Q514 HydrophobicContact CB-CB 4.33Å
470	L	90.8	Very high	85	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-70.5	-34.9	175.5	-60.7	-177.5	0	0	0	112.4	A377 F461 E467 Q468 R473 T474	A377-L470 HydrophobicContact CB-CD1 3.83Å; A377-L470 HydrophobicContact CB-CD2 3.75Å; A377-L470 HydrophobicContact CB-CG 4.48Å; F461-L470 HydrophobicContact CB-CB 4.18Å; F461-L470 HydrophobicContact CB-CD1 3.97Å; F461-L470 HydrophobicContact CD1-CD1 3.64Å; F461-L470 HydrophobicContact CD2-CB 4.09Å; F461-L470 HydrophobicContact CE1-CD1 4.25Å; F461-L470 HydrophobicContact CG-CB 4.09Å; F461-L470 HydrophobicContact CG-CD1 3.8Å; E467-L470 HydrophobicContact CB-CD1 4.14Å; E467-L470 HydrophobicContact CB-CG 4.48Å; E467-L470 HydrophobicContact CG-CD1 4.18Å; E467-L470 VanDerWaalsContact O-CB 3.29Å; E467-L470 WeakPolarHBondContact O-CB 3.32Å; E467-L470 PolarHBondContact O-N 2.83Å; Q468-L470 PolarHBondContact O-N 3.11Å; L470-R473 PolarHBondContact O-N 3.35Å; L470-T474 PolarHBondContact O-N 2.9Å; L470-T474 PolarHBondContact O-OG1 2.63Å; L470-T474 VanDerWaalsContact O-OG1 3.08Å
471	I	93.3	Very high	85.3	Confident	14 Å²	14	47.7 Å²	47.7	7%	0.072	24%	0.24	C	C	.	.	H	α-helix	trans	-64.7	-44.1	172.1	-52.9	174.7	0	0	0	109.6	A454 A457 Q468 R473 T474 L475 I535	A454-I471 HydrophobicContact CB-CG2 3.82Å; A457-I471 HydrophobicContact CB-CG1 4.29Å; A457-I471 HydrophobicContact CB-CG2 4.39Å; Q468-I471 PolarHBondContact O-N 3.17Å; I471-R473 VanDerWaalsContact C-N 3.35Å; I471-R473 PolarHBondContact O-N 2.81Å; I471-T474 WeakPolarHBondContact O-CB 3.48Å; I471-T474 PolarHBondContact O-N 2.83Å; I471-L475 WeakPolarHBondContact O-CG 3.28Å; I471-L475 PolarHBondContact O-N 3.07Å; I471-I535 HydrophobicContact CB-CD1 4.2Å; I471-I535 HydrophobicContact CG2-CD1 3.99Å; I471-I535 HydrophobicContact CG2-CG1 3.79Å
472	K	93.7	Very high	85.7	Confident	11 Å²	11	49 Å²	49	5%	0.048	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-39.3	174.8	-63.7	178.5	-177.5	-175.8	0	112.3	Q468 H469 T474 L475 S476 A512 F531 D532 I535	Q468-K472 PolarHBondContact O-N 3.26Å; H469-K472 PolarHBondContact O-N 2.79Å; K472-T474 VanDerWaalsContact C-N 3.34Å; K472-L475 PolarHBondContact O-N 2.87Å; K472-S476 VanDerWaalsContact O-CB 3.28Å; K472-S476 WeakPolarHBondContact O-CB 3.17Å; K472-S476 PolarHBondContact O-N 2.86Å; K472-A512 HydrophobicContact CB-CB 3.84Å; K472-F531 HydrophobicContact CB-CD2 4.01Å; K472-F531 HydrophobicContact CG-CB 4.09Å; K472-F531 HydrophobicContact CG-CD2 4.33Å; K472-D532 WeakPolarHBondContact CE-OD1 3.36Å; K472-D532 IonicContact NZ-OD1 3.3Å; K472-D532 PolarHBondContact NZ-OD1 2.88Å; K472-D532 IonicContact NZ-OD2 2.61Å; K472-D532 PolarHBondContact NZ-OD2 3.02Å; K472-I535 HydrophobicContact CG-CD1 3.92Å
473	R	93.1	Very high	87.1	Confident	65 Å²	65	47.1 Å²	47.1	25%	0.245	23%	0.226	C	C	.	.	H	α-helix	trans	-62.4	-41	174.1	-77.1	177.2	64.5	163.4	2.5	111.7	A377 E378 H469 L470 I471 S476 A477 A512	A377-R473 VanDerWaalsContact O-CZ 3.28Å; A377-R473 PolarHBondContact O-NH2 3.43Å; E378-R473 PolarHBondContact O-NH2 3.32Å; E378-R473 VanDerWaalsContact O-NH2 3.13Å; H469-R473 WeakPolarHBondContact O-CG 3.02Å; H469-R473 PolarHBondContact O-N 2.85Å; L470-R473 PolarHBondContact O-N 3.35Å; I471-R473 VanDerWaalsContact C-N 3.35Å; I471-R473 PolarHBondContact O-N 2.81Å; R473-S476 PolarHBondContact O-N 2.83Å; R473-A477 WeakPolarHBondContact O-CB 3.13Å; R473-A477 PolarHBondContact O-N 3.14Å; R473-A512 HydrophobicContact CG-CB 3.93Å
474	T	94.5	Very high	88.5	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.4	-50.4	174.2	-66	0	0	0	0	111.2	V380 F381 A457 L470 I471 K472 S476 A477 L478	V380-T474 WeakPolarHBondContact CG2-OG1 3.5Å; F381-T474 HydrophobicContact CD2-CG2 3.64Å; F381-T474 HydrophobicContact CE2-CG2 3.5Å; A457-T474 HydrophobicContact CB-CG2 4.11Å; L470-T474 PolarHBondContact O-N 2.9Å; L470-T474 PolarHBondContact O-OG1 2.63Å; L470-T474 VanDerWaalsContact O-OG1 3.08Å; I471-T474 WeakPolarHBondContact O-CB 3.48Å; I471-T474 PolarHBondContact O-N 2.83Å; K472-T474 VanDerWaalsContact C-N 3.34Å; T474-S476 VanDerWaalsContact C-N 3.35Å; T474-S476 PolarHBondContact O-N 3.05Å; T474-A477 PolarHBondContact O-N 2.9Å; T474-L478 HydrophobicContact CG2-CD1 3.97Å; T474-L478 WeakPolarHBondContact O-CG 3.28Å; T474-L478 PolarHBondContact O-N 2.6Å
475	L	95.7	Very high	90	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.7	-41.6	177.4	-68.6	172.3	0	0	0	112.3	L450 A454 I471 K472 L478 L479 F531 I534 I535	L450-L475 HydrophobicContact CB-CD2 3.95Å; L450-L475 HydrophobicContact CD2-CD2 4.1Å; A454-L475 HydrophobicContact CB-CD1 4.33Å; A454-L475 HydrophobicContact CB-CD2 4.19Å; A454-L475 HydrophobicContact CB-CG 4.45Å; I471-L475 WeakPolarHBondContact O-CG 3.28Å; I471-L475 PolarHBondContact O-N 3.07Å; K472-L475 PolarHBondContact O-N 2.87Å; L475-L478 PolarHBondContact O-N 2.78Å; L475-L479 WeakPolarHBondContact O-CB 3.39Å; L475-L479 PolarHBondContact O-N 2.86Å; L475-F531 HydrophobicContact CB-CD1 3.67Å; L475-F531 HydrophobicContact CB-CE1 3.7Å; L475-F531 HydrophobicContact CB-CG 4.11Å; L475-F531 HydrophobicContact CB-CZ 4.17Å; L475-F531 HydrophobicContact CD1-CB 3.92Å; L475-F531 HydrophobicContact CD1-CD1 3.95Å; L475-F531 HydrophobicContact CD1-CG 4.07Å; L475-F531 HydrophobicContact CG-CD1 4.43Å; L475-I534 HydrophobicContact CD1-CB 4.17Å; L475-I534 HydrophobicContact CD1-CD1 4.26Å; L475-I534 HydrophobicContact CD1-CG2 4.16Å; L475-I534 HydrophobicContact CD2-CD1 4.19Å; L475-I534 HydrophobicContact CD2-CG2 4.17Å; L475-I535 HydrophobicContact CD1-CG1 4.45Å
476	S	95.7	Very high	91.5	Very high	5 Å²	5	30.3 Å²	30.3	4%	0.035	15%	0.148	C	C	.	.	I	π-helix	trans	-61.5	-45.1	175.4	-177.1	0	0	0	0	112.2	K472 R473 T474 L478 I480 L481 A508	K472-S476 VanDerWaalsContact O-CB 3.28Å; K472-S476 WeakPolarHBondContact O-CB 3.17Å; K472-S476 PolarHBondContact O-N 2.86Å; R473-S476 PolarHBondContact O-N 2.83Å; T474-S476 VanDerWaalsContact C-N 3.35Å; T474-S476 PolarHBondContact O-N 3.05Å; S476-L478 PolarHBondContact O-N 2.52Å; S476-I480 WeakPolarHBondContact O-CA 3.31Å; S476-I480 WeakPolarHBondContact O-CB 3.25Å; S476-I480 PolarHBondContact O-N 3.47Å; S476-L481 PolarHBondContact O-N 3.07Å; S476-A508 WeakPolarHBondContact OG-CB 3.48Å
477	A	95.6	Very high	92.8	Very high	10 Å²	10	23.8 Å²	23.8	8%	0.083	12%	0.118	C	C	.	.	I	π-helix	trans	-62.3	-43.1	177.8	0	0	0	0	0	111.9	F381 R473 T474 L481 R482	F381-A477 HydrophobicContact CB-CB 4.02Å; R473-A477 WeakPolarHBondContact O-CB 3.13Å; R473-A477 PolarHBondContact O-N 3.14Å; T474-A477 PolarHBondContact O-N 2.9Å; A477-L481 WeakPolarHBondContact O-CB 3.47Å; A477-R482 WeakPolarHBondContact O-CB 3.24Å; A477-R482 VanDerWaalsContact O-CG 3.27Å; A477-R482 WeakPolarHBondContact O-CG 3.37Å; A477-R482 PolarHBondContact O-N 2.61Å; A477-R482 VanDerWaalsContact O-N 3.16Å
478	L	95.6	Very high	93.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.105	C	C	.	.	I	π-helix	trans	-77.8	-48.8	-176.2	-65.4	173.3	0	0	0	112.9	F381 I391 A453 T474 L475 S476 V483	F381-L478 HydrophobicContact CB-CD2 4.1Å; F381-L478 HydrophobicContact CB-CG 4.5Å; F381-L478 HydrophobicContact CD1-CD2 3.89Å; F381-L478 HydrophobicContact CD2-CD1 4.32Å; F381-L478 HydrophobicContact CD2-CD2 4.42Å; F381-L478 HydrophobicContact CD2-CG 4.35Å; F381-L478 HydrophobicContact CE1-CD2 4.44Å; F381-L478 HydrophobicContact CE2-CD1 4.4Å; F381-L478 HydrophobicContact CG-CD2 3.89Å; F381-L478 HydrophobicContact CG-CG 4.26Å; I391-L478 HydrophobicContact CB-CD2 4.26Å; I391-L478 HydrophobicContact CD1-CD1 4.16Å; I391-L478 HydrophobicContact CD1-CD2 3.97Å; I391-L478 HydrophobicContact CG2-CB 4.29Å; I391-L478 HydrophobicContact CG2-CD1 4.28Å; I391-L478 HydrophobicContact CG2-CD2 3.93Å; I391-L478 HydrophobicContact CG2-CG 4.39Å; A453-L478 HydrophobicContact CB-CD1 3.57Å; T474-L478 HydrophobicContact CG2-CD1 3.97Å; T474-L478 WeakPolarHBondContact O-CG 3.28Å; T474-L478 PolarHBondContact O-N 2.6Å; L475-L478 PolarHBondContact O-N 2.78Å; S476-L478 PolarHBondContact O-N 2.52Å; L478-V483 VanDerWaalsContact O-CG2 3.24Å; L478-V483 WeakPolarHBondContact O-CG2 3.47Å
479	L	95.8	Very high	93.7	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	11%	0.107	C	C	.	.	I	π-helix	trans	-83.9	-45.6	-175	180	61.5	0	0	0	112.7	F399 V436 L450 L475 V483 L484 M530 F531	F399-L479 HydrophobicContact CD2-CD1 4.18Å; F399-L479 HydrophobicContact CE2-CD1 3.57Å; F399-L479 HydrophobicContact CZ-CD1 3.9Å; V436-L479 HydrophobicContact CG1-CD2 4.41Å; L450-L479 HydrophobicContact CD1-CB 4.42Å; L450-L479 HydrophobicContact CD1-CD1 4.29Å; L450-L479 HydrophobicContact CD1-CD2 3.91Å; L450-L479 HydrophobicContact CD1-CG 4.43Å; L450-L479 HydrophobicContact CD2-CB 4.2Å; L475-L479 WeakPolarHBondContact O-CB 3.39Å; L475-L479 PolarHBondContact O-N 2.86Å; L479-V483 WeakPolarHBondContact O-CB 3.37Å; L479-L484 WeakPolarHBondContact O-CB 3.5Å; L479-L484 PolarHBondContact O-N 2.94Å; L479-M530 HydrophobicContact CD2-CE 3.61Å; L479-M530 HydrophobicContact CD2-SD 4.06Å; L479-F531 HydrophobicContact CD2-CE1 4.43Å
480	I	96.3	Very high	93.5	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	13%	0.128	C	C	.	.	I	π-helix	trans	-88.9	-61	-171.3	-54.2	-61.9	0	0	0	110.6	S476 R482 L484 N485 V504 A508 F531	S476-I480 WeakPolarHBondContact O-CA 3.31Å; S476-I480 WeakPolarHBondContact O-CB 3.25Å; S476-I480 PolarHBondContact O-N 3.47Å; I480-R482 PolarHBondContact O-N 3.15Å; I480-L484 HydrophobicContact CD1-CD2 3.74Å; I480-L484 PolarHBondContact O-N 2.92Å; I480-N485 WeakPolarHBondContact O-CB 3.33Å; I480-N485 PolarHBondContact O-N 3.37Å; I480-V504 HydrophobicContact CG2-CG1 3.64Å; I480-A508 HydrophobicContact CB-CB 4.11Å; I480-A508 HydrophobicContact CG1-CB 3.99Å; I480-A508 HydrophobicContact CG2-CB 3.81Å; I480-F531 HydrophobicContact CG1-CZ 4.19Å
481	L	95.6	Very high	93.1	Very high	73 Å²	73	26.3 Å²	26.3	38%	0.382	14%	0.14	S	C	.	.	I	π-helix	trans	-63.3	-45.2	-173.5	175	65.1	0	0	0	111.9	S476 A477 P486	S476-L481 PolarHBondContact O-N 3.07Å; A477-L481 WeakPolarHBondContact O-CB 3.47Å; L481-P486 VanDerWaalsContact O-CD 3.32Å; L481-P486 WeakPolarHBondContact O-CD 3.3Å
482	R	94.8	Very high	92.6	Very high	34 Å²	34	26.6 Å²	26.6	13%	0.128	14%	0.142	C	C	.	.	I	π-helix	trans	-95.8	-13.4	-171.6	-70.7	-179.7	165.6	-82.6	-6.8	115.3	F381 R382 K383 D384 T388 T392 A477 I480 P486	F381-R482 PolarHBondContact O-NE 3.38Å; F381-R482 PolarHBondContact O-NH2 3.49Å; R382-R482 PolarHBondContact O-NH2 2.98Å; K383-R482 PolarHBondContact O-NH2 2.9Å; K383-R482 VanDerWaalsContact O-NH2 3.09Å; D384-R482 IonicContact OD1-CZ 2.72Å; D384-R482 IonicContact OD1-NH1 3.57Å; D384-R482 PolarHBondContact OD1-NH1 2.92Å; D384-R482 IonicContact OD1-NH2 2.73Å; D384-R482 PolarHBondContact OD1-NH2 3.28Å; T388-R482 VanDerWaalsContact CB-CZ 3.45Å; T392-R482 HydrophobicContact CG2-CB 4.47Å; T392-R482 WeakPolarHBondContact CG2-O 3.38Å; T392-R482 WeakPolarHBondContact OG1-CB 3.43Å; A477-R482 WeakPolarHBondContact O-CB 3.24Å; A477-R482 VanDerWaalsContact O-CG 3.27Å; A477-R482 WeakPolarHBondContact O-CG 3.37Å; A477-R482 PolarHBondContact O-N 2.61Å; A477-R482 VanDerWaalsContact O-N 3.16Å; I480-R482 PolarHBondContact O-N 3.15Å; R482-P486 WeakPolarHBondContact O-CG 3.09Å
483	V	95.3	Very high	91.5	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.018	17%	0.171	C	C	.	.	I	π-helix	trans	-124.6	-63.8	-176	176.8	0	0	0	0	111.3	T392 L395 F399 L478 L479 N485 P486 I487	T392-V483 HydrophobicContact CG2-CG2 4.26Å; L395-V483 HydrophobicContact CB-CB 4.31Å; L395-V483 HydrophobicContact CB-CG1 3.98Å; L395-V483 HydrophobicContact CB-CG2 3.52Å; L395-V483 HydrophobicContact CD1-CG2 3.97Å; L395-V483 HydrophobicContact CG-CG2 4.4Å; F399-V483 HydrophobicContact CB-CG1 4.43Å; F399-V483 HydrophobicContact CD2-CG1 4.48Å; L478-V483 VanDerWaalsContact O-CG2 3.24Å; L478-V483 WeakPolarHBondContact O-CG2 3.47Å; L479-V483 WeakPolarHBondContact O-CB 3.37Å; V483-N485 PolarHBondContact O-N 3.47Å; V483-P486 WeakPolarHBondContact O-CD 3.32Å; V483-I487 HydrophobicContact CG1-CD1 3.81Å; V483-I487 VanDerWaalsContact O-CG1 3.29Å; V483-I487 WeakPolarHBondContact O-CG1 3.24Å; V483-I487 PolarHBondContact O-N 3.44Å
484	L	94.6	Very high	90.2	Very high	8 Å²	8	33.4 Å²	33.4	4%	0.042	19%	0.187	C	C	.	.	I	π-helix	trans	-63.3	-47.7	-174.2	-175.9	61.3	0	0	0	111.6	F403 V436 L479 I480 I487 I488 V504	F403-L484 HydrophobicContact CD2-CD1 4.31Å; F403-L484 HydrophobicContact CE2-CD1 4.32Å; V436-L484 HydrophobicContact CG2-CD1 3.83Å; V436-L484 HydrophobicContact CG2-CD2 3.92Å; L479-L484 WeakPolarHBondContact O-CB 3.5Å; L479-L484 PolarHBondContact O-N 2.94Å; I480-L484 HydrophobicContact CD1-CD2 3.74Å; I480-L484 PolarHBondContact O-N 2.92Å; L484-I487 PolarHBondContact O-N 3.19Å; L484-I488 HydrophobicContact CD1-CD1 4.22Å; L484-I488 HydrophobicContact CD1-CG1 4.33Å; L484-I488 HydrophobicContact CG-CD1 3.8Å; L484-I488 HydrophobicContact CG-CG1 4.38Å; L484-I488 WeakPolarHBondContact O-CD1 3.44Å; L484-I488 WeakPolarHBondContact O-CG1 3.42Å; L484-I488 PolarHBondContact O-N 2.86Å; L484-V504 HydrophobicContact CD2-CG1 3.97Å
485	N	94.6	Very high	89.3	Confident	17 Å²	17	35.5 Å²	35.5	9%	0.091	21%	0.209	C	C	.	.	H	α-helix	trans	-61.1	-47.6	179.6	-75.3	-11.9	0	0	0	112.9	I480 V483 I487 I488 F489 A501 Q505	I480-N485 WeakPolarHBondContact O-CB 3.33Å; I480-N485 PolarHBondContact O-N 3.37Å; V483-N485 PolarHBondContact O-N 3.47Å; N485-I487 PolarHBondContact O-N 3.42Å; N485-I488 PolarHBondContact O-N 3.46Å; N485-F489 WeakPolarHBondContact O-CB 3.32Å; N485-F489 PolarHBondContact O-N 3.04Å; N485-A501 HydrophobicContact CB-CB 4.09Å; N485-A501 PolarHBondContact OD1-O 3.46Å; N485-Q505 PolarHBondContact ND2-OE1 3.14Å
486	P	93.2	Very high	88.5	Confident	63 Å²	63	38 Å²	38	41%	0.409	22%	0.222	S	C	.	.	H	α-helix	trans	-57.4	-42.3	171.9	-31.7	38.4	0	0	0	114.2	L481 R482 V483 F489 S490	L481-P486 VanDerWaalsContact O-CD 3.32Å; L481-P486 WeakPolarHBondContact O-CD 3.3Å; R482-P486 WeakPolarHBondContact O-CG 3.09Å; V483-P486 WeakPolarHBondContact O-CD 3.32Å; P486-F489 PolarHBondContact O-N 3.24Å; P486-S490 WeakPolarHBondContact O-CB 3.17Å; P486-S490 PolarHBondContact O-N 2.9Å; P486-S490 PolarHBondContact O-OG 3.03Å
487	I	92.3	Very high	88	Confident	5 Å²	5	37.7 Å²	37.7	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-63.5	-44	177.3	-69.9	170.3	0	0	0	111	F399 K400 F403 V483 L484 N485 F489 S490 T491	F399-I487 HydrophobicContact CB-CD1 4.04Å; K400-I487 HydrophobicContact CB-CD1 4.48Å; K400-I487 HydrophobicContact CD-CG1 4.4Å; K400-I487 HydrophobicContact CD-CG2 4.01Å; F403-I487 HydrophobicContact CB-CG2 3.97Å; F403-I487 HydrophobicContact CD1-CG2 3.37Å; F403-I487 HydrophobicContact CD2-CG2 4Å; F403-I487 HydrophobicContact CE1-CG2 3.75Å; F403-I487 HydrophobicContact CE2-CG2 4.32Å; F403-I487 HydrophobicContact CG-CG2 3.51Å; F403-I487 HydrophobicContact CZ-CG2 4.22Å; V483-I487 HydrophobicContact CG1-CD1 3.81Å; V483-I487 VanDerWaalsContact O-CG1 3.29Å; V483-I487 WeakPolarHBondContact O-CG1 3.24Å; V483-I487 PolarHBondContact O-N 3.44Å; L484-I487 PolarHBondContact O-N 3.19Å; N485-I487 PolarHBondContact O-N 3.42Å; I487-F489 VanDerWaalsContact C-N 3.33Å; I487-F489 PolarHBondContact O-N 3.32Å; I487-S490 PolarHBondContact O-N 3.37Å; I487-S490 PolarHBondContact O-OG 3.3Å; I487-T491 WeakPolarHBondContact O-CB 3.21Å; I487-T491 PolarHBondContact O-N 3.38Å; I487-T491 PolarHBondContact O-OG1 2.89Å
488	I	90.8	Very high	87.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.7	-48.4	175.4	-67.5	162.4	0	0	0	109.7	F403 L432 L484 N485 T491 L492 G497 I500 A501 V504	F403-I488 HydrophobicContact CE2-CG1 3.91Å; F403-I488 HydrophobicContact CZ-CG1 3.92Å; L432-I488 HydrophobicContact CD2-CD1 3.55Å; L432-I488 HydrophobicContact CD2-CG1 3.89Å; L484-I488 HydrophobicContact CD1-CD1 4.22Å; L484-I488 HydrophobicContact CD1-CG1 4.33Å; L484-I488 HydrophobicContact CG-CD1 3.8Å; L484-I488 HydrophobicContact CG-CG1 4.38Å; L484-I488 WeakPolarHBondContact O-CD1 3.44Å; L484-I488 WeakPolarHBondContact O-CG1 3.42Å; L484-I488 PolarHBondContact O-N 2.86Å; N485-I488 PolarHBondContact O-N 3.46Å; I488-T491 PolarHBondContact O-N 2.72Å; I488-L492 HydrophobicContact CG2-CD1 3.83Å; I488-L492 HydrophobicContact CG2-CG 4.41Å; I488-L492 VanDerWaalsContact O-CB 3.3Å; I488-L492 WeakPolarHBondContact O-CB 3.25Å; I488-L492 WeakPolarHBondContact O-CG 3.2Å; I488-L492 PolarHBondContact O-N 2.73Å; I488-G497 WeakPolarHBondContact CG2-O 3.46Å; I488-I500 HydrophobicContact CD1-CG2 4.37Å; I488-I500 HydrophobicContact CG2-CB 4.09Å; I488-I500 HydrophobicContact CG2-CG2 4.03Å; I488-A501 HydrophobicContact CB-CB 4.48Å; I488-A501 HydrophobicContact CG2-CB 4.2Å; I488-V504 HydrophobicContact CD1-CG2 4.22Å
489	F	87.5	Confident	87.1	Confident	111 Å²	111	44.4 Å²	44.4	49%	0.487	26%	0.256	S	S	.	.	H	α-helix	trans	-64.7	-41.3	-177.4	-175.7	-91.6	0	0	0	112.7	N485 P486 I487	N485-F489 WeakPolarHBondContact O-CB 3.32Å; N485-F489 PolarHBondContact O-N 3.04Å; P486-F489 PolarHBondContact O-N 3.24Å; I487-F489 VanDerWaalsContact C-N 3.33Å; I487-F489 PolarHBondContact O-N 3.32Å
490	S	84.5	Confident	86.8	Confident	82 Å²	82	44.4 Å²	44.4	57%	0.573	26%	0.256	S	S	*	.	H	α-helix	trans	-74.2	-30.6	-178.5	67.3	0	0	0	0	113	P486 I487	P486-S490 WeakPolarHBondContact O-CB 3.17Å; P486-S490 PolarHBondContact O-N 2.9Å; P486-S490 PolarHBondContact O-OG 3.03Å; I487-S490 PolarHBondContact O-N 3.37Å; I487-S490 PolarHBondContact O-OG 3.3Å
491	T	83.8	Confident	86.6	Confident	47 Å²	47	44.8 Å²	44.8	29%	0.288	26%	0.26	S	S	.	.	H	α-helix	trans	-95.9	-35.1	-170.6	-46.8	0	0	0	0	112.1	F403 L407 I487 I488	F403-T491 HydrophobicContact CD1-CG2 4.31Å; F403-T491 HydrophobicContact CE1-CG2 3.96Å; L407-T491 HydrophobicContact CD1-CG2 3.45Å; L407-T491 VanDerWaalsContact CD1-CG2 3.45Å; I487-T491 WeakPolarHBondContact O-CB 3.21Å; I487-T491 PolarHBondContact O-N 3.38Å; I487-T491 PolarHBondContact O-OG1 2.89Å; I488-T491 PolarHBondContact O-N 2.72Å
492	L	81.7	Confident	86.4	Confident	21 Å²	21	48.2 Å²	48.2	11%	0.11	27%	0.272	C	S	.	.	S	Bend	trans	-91	149.6	176.9	-55.2	-174.6	0	0	0	110.5	L407 F413 L417 I488 T494	L407-L492 HydrophobicContact CD1-CD2 3.88Å; L407-L492 HydrophobicContact CD2-CD2 3.97Å; F413-L492 HydrophobicContact CE1-CD1 4.17Å; F413-L492 HydrophobicContact CE1-CD2 4.39Å; F413-L492 HydrophobicContact CZ-CD1 4.32Å; L417-L492 HydrophobicContact CD1-CD1 4.26Å; L417-L492 HydrophobicContact CD1-CD2 4.42Å; I488-L492 HydrophobicContact CG2-CD1 3.83Å; I488-L492 HydrophobicContact CG2-CG 4.41Å; I488-L492 VanDerWaalsContact O-CB 3.3Å; I488-L492 WeakPolarHBondContact O-CB 3.25Å; I488-L492 WeakPolarHBondContact O-CG 3.2Å; I488-L492 PolarHBondContact O-N 2.73Å; L492-T494 PolarHBondContact O-N 2.96Å
493	N	71.1	Confident	86.3	Confident	121 Å²	121	49.3 Å²	49.3	65%	0.647	28%	0.28	S	S	*	.			trans	-52.6	139.5	177.2	-170.1	13.1	0	0	0	111.1	G495 I496 G497	N493-G495 VanDerWaalsContact C-N 3.25Å; N493-G495 PolarHBondContact O-N 3.2Å; N493-I496 PolarHBondContact O-N 3.49Å; N493-G497 PolarHBondContact O-N 3.17Å
494	T	66.3	Low	86.2	Confident	97 Å²	97	49.1 Å²	49.1	60%	0.595	28%	0.279	S	S	*	.	H	α-helix	trans	-52.1	-35.5	-161.7	53.3	0	0	0	0	114.7	L492 S498	L492-T494 PolarHBondContact O-N 2.96Å; T494-S498 VanDerWaalsContact O-CB 3.29Å; T494-S498 WeakPolarHBondContact O-CB 3.36Å; T494-S498 PolarHBondContact O-N 2.95Å
495	G	74.4	Confident	86.3	Confident	44 Å²	44	50.2 Å²	50.2	45%	0.454	28%	0.284	S	S	.	.	H	α-helix	trans	-72.3	-45.7	176.2	0	0	0	0	0	114	N493 Q499	N493-G495 VanDerWaalsContact C-N 3.25Å; N493-G495 PolarHBondContact O-N 3.2Å; G495-Q499 WeakPolarHBondContact O-CG 2.87Å; G495-Q499 PolarHBondContact O-N 2.81Å
496	I	79.3	Confident	86.2	Confident	52 Å²	52	54 Å²	54	27%	0.267	30%	0.303	S	S	.	.	H	α-helix	trans	-75.6	-44.2	-176.4	-64.9	171.5	0	0	0	110.6	L417 N493 S498 Q499 I500	L417-I496 HydrophobicContact CB-CD1 4.5Å; L417-I496 HydrophobicContact CB-CG2 4.12Å; L417-I496 HydrophobicContact CD1-CG2 3.92Å; L417-I496 HydrophobicContact CD2-CG2 3.56Å; L417-I496 HydrophobicContact CG-CG2 4.03Å; N493-I496 PolarHBondContact O-N 3.49Å; I496-S498 VanDerWaalsContact C-N 3.29Å; I496-S498 PolarHBondContact O-N 3.01Å; I496-Q499 PolarHBondContact O-N 3.49Å; I496-I500 HydrophobicContact CG2-CG1 4.33Å; I496-I500 WeakPolarHBondContact O-CG1 3.18Å; I496-I500 PolarHBondContact O-N 3.47Å
497	G	84.7	Confident	86.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-57.6	-43.2	178.1	0	0	0	0	0	112.2	I488 N493 Q499 I500 A501	I488-G497 WeakPolarHBondContact CG2-O 3.46Å; N493-G497 PolarHBondContact O-N 3.17Å; G497-Q499 PolarHBondContact O-N 2.92Å; G497-I500 PolarHBondContact O-N 2.89Å; G497-A501 VanDerWaalsContact O-CB 3.27Å; G497-A501 WeakPolarHBondContact O-CB 3.34Å; G497-A501 PolarHBondContact O-N 3.07Å
498	S	86.8	Confident	86.4	Confident	60 Å²	60	51.3 Å²	51.3	42%	0.42	29%	0.286	S	S	.	.	H	α-helix	trans	-60.2	-43.7	176.5	-178.5	0	0	0	0	112.7	T494 I496 K502	T494-S498 VanDerWaalsContact O-CB 3.29Å; T494-S498 WeakPolarHBondContact O-CB 3.36Å; T494-S498 PolarHBondContact O-N 2.95Å; I496-S498 VanDerWaalsContact C-N 3.29Å; I496-S498 PolarHBondContact O-N 3.01Å; S498-K502 WeakPolarHBondContact O-CB 3.38Å; S498-K502 PolarHBondContact O-N 3.11Å
499	Q	86.9	Confident	86.5	Confident	90 Å²	90	55.9 Å²	55.9	42%	0.421	31%	0.31	S	S	.	.	H	α-helix	trans	-66.9	-45.8	179.4	-70.9	175.5	-5.9	0	0	112.3	G495 I496 G497 K502 L503	G495-Q499 WeakPolarHBondContact O-CG 2.87Å; G495-Q499 PolarHBondContact O-N 2.81Å; I496-Q499 PolarHBondContact O-N 3.49Å; G497-Q499 PolarHBondContact O-N 2.92Å; Q499-K502 WeakPolarHBondContact O-CB 3.45Å; Q499-K502 PolarHBondContact O-N 3.31Å; Q499-L503 WeakPolarHBondContact O-CG 3.09Å; Q499-L503 PolarHBondContact O-N 3.43Å
500	I	88.9	Confident	86.7	Confident	2 Å²	2	52 Å²	52	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-63.4	-47.4	178.2	-63.3	-63.3	0	0	0	110.7	L417 A428 V429 L432 I488 I496 G497 K502 L503 V504	L417-I500 HydrophobicContact CD2-CD1 3.78Å; L417-I500 HydrophobicContact CD2-CG1 3.82Å; A428-I500 HydrophobicContact CB-CD1 4.21Å; V429-I500 HydrophobicContact CG2-CD1 4.31Å; L432-I500 HydrophobicContact CD2-CG2 4Å; I488-I500 HydrophobicContact CD1-CG2 4.37Å; I488-I500 HydrophobicContact CG2-CB 4.09Å; I488-I500 HydrophobicContact CG2-CG2 4.03Å; I496-I500 HydrophobicContact CG2-CG1 4.33Å; I496-I500 WeakPolarHBondContact O-CG1 3.18Å; I496-I500 PolarHBondContact O-N 3.47Å; G497-I500 PolarHBondContact O-N 2.89Å; I500-K502 VanDerWaalsContact C-N 3.26Å; I500-K502 PolarHBondContact O-N 3.49Å; I500-L503 PolarHBondContact O-N 2.58Å; I500-L503 VanDerWaalsContact O-N 3.15Å; I500-V504 HydrophobicContact CG2-CG2 4.19Å; I500-V504 WeakPolarHBondContact O-CB 3.15Å; I500-V504 VanDerWaalsContact O-CG2 3.29Å; I500-V504 WeakPolarHBondContact O-CG2 3.23Å; I500-V504 PolarHBondContact O-N 3.49Å
501	A	91.8	Very high	87.1	Confident	11 Å²	11	48.1 Å²	48.1	9%	0.091	27%	0.27	C	S	.	.	H	α-helix	trans	-58.1	-39.4	177	0	0	0	0	0	111.8	N485 I488 G497 Q505	N485-A501 HydrophobicContact CB-CB 4.09Å; N485-A501 PolarHBondContact OD1-O 3.46Å; I488-A501 HydrophobicContact CB-CB 4.48Å; I488-A501 HydrophobicContact CG2-CB 4.2Å; G497-A501 VanDerWaalsContact O-CB 3.27Å; G497-A501 WeakPolarHBondContact O-CB 3.34Å; G497-A501 PolarHBondContact O-N 3.07Å; A501-Q505 WeakPolarHBondContact O-CB 3.29Å; A501-Q505 PolarHBondContact O-N 3.39Å
502	K	92.2	Very high	87.5	Confident	144 Å²	144	46.1 Å²	46.1	63%	0.626	26%	0.258	S	S	*	.	H	α-helix	trans	-61.9	-47.1	175.1	-174.6	-179	179.2	-176.8	0	112.2	S498 Q499 I500 Q505 I506	S498-K502 WeakPolarHBondContact O-CB 3.38Å; S498-K502 PolarHBondContact O-N 3.11Å; Q499-K502 WeakPolarHBondContact O-CB 3.45Å; Q499-K502 PolarHBondContact O-N 3.31Å; I500-K502 VanDerWaalsContact C-N 3.26Å; I500-K502 PolarHBondContact O-N 3.49Å; K502-Q505 PolarHBondContact O-N 2.99Å; K502-I506 HydrophobicContact CG-CD1 4.19Å; K502-I506 WeakPolarHBondContact O-CG1 3.47Å; K502-I506 PolarHBondContact O-N 3.26Å
503	L	91.5	Very high	87.8	Confident	57 Å²	57	46.7 Å²	46.7	30%	0.298	26%	0.264	S	S	.	.	H	α-helix	trans	-67.9	-38.4	179.9	-67.8	174.3	0	0	0	112.6	V429 Q499 I500 Q505 I506 S507	V429-L503 HydrophobicContact CG2-CB 3.64Å; V429-L503 HydrophobicContact CG2-CD1 3.97Å; V429-L503 HydrophobicContact CG2-CG 4.48Å; Q499-L503 WeakPolarHBondContact O-CG 3.09Å; Q499-L503 PolarHBondContact O-N 3.43Å; I500-L503 PolarHBondContact O-N 2.58Å; I500-L503 VanDerWaalsContact O-N 3.15Å; L503-Q505 VanDerWaalsContact C-N 3.35Å; L503-I506 PolarHBondContact O-N 2.82Å; L503-S507 PolarHBondContact O-N 3.33Å; L503-S507 PolarHBondContact O-OG 3.38Å
504	V	94.2	Very high	88.4	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.6	-45.3	171.8	171.5	0	0	0	0	110.1	V429 L432 I480 L484 I488 I500 I506 S507 A508	V429-V504 HydrophobicContact CG1-CG2 3.88Å; L432-V504 HydrophobicContact CD2-CG2 4.22Å; I480-V504 HydrophobicContact CG2-CG1 3.64Å; L484-V504 HydrophobicContact CD2-CG1 3.97Å; I488-V504 HydrophobicContact CD1-CG2 4.22Å; I500-V504 HydrophobicContact CG2-CG2 4.19Å; I500-V504 WeakPolarHBondContact O-CB 3.15Å; I500-V504 VanDerWaalsContact O-CG2 3.29Å; I500-V504 WeakPolarHBondContact O-CG2 3.23Å; I500-V504 PolarHBondContact O-N 3.49Å; V504-I506 PolarHBondContact O-N 2.79Å; V504-S507 PolarHBondContact O-N 2.87Å; V504-A508 WeakPolarHBondContact O-CB 3.34Å; V504-A508 PolarHBondContact O-N 2.91Å
505	Q	95.1	Very high	88.9	Confident	31 Å²	31	47.4 Å²	47.4	15%	0.145	26%	0.264	C	S	.	.	H	α-helix	trans	-63.6	-40.9	178	-170.4	60.8	55.7	0	0	112.7	N485 A501 K502 L503 S507 A508 N509	N485-Q505 PolarHBondContact ND2-OE1 3.14Å; A501-Q505 WeakPolarHBondContact O-CB 3.29Å; A501-Q505 PolarHBondContact O-N 3.39Å; K502-Q505 PolarHBondContact O-N 2.99Å; L503-Q505 VanDerWaalsContact C-N 3.35Å; Q505-S507 VanDerWaalsContact C-N 3.33Å; Q505-A508 PolarHBondContact O-N 3.37Å; Q505-N509 PolarHBondContact NE2-OD1 3.46Å; Q505-N509 WeakPolarHBondContact O-CB 3.48Å; Q505-N509 PolarHBondContact O-N 3.38Å; Q505-N509 PolarHBondContact O-ND2 2.88Å; Q505-N509 PolarHBondContact O-OD1 2.93Å
506	I	93.3	Very high	88.2	Confident	95 Å²	95	49 Å²	49	49%	0.487	27%	0.266	S	S	.	.	H	α-helix	trans	-60.1	-46.2	174.9	-70	164.8	0	0	0	110.1	K502 L503 V504 A508 N509 S510	K502-I506 HydrophobicContact CG-CD1 4.19Å; K502-I506 WeakPolarHBondContact O-CG1 3.47Å; K502-I506 PolarHBondContact O-N 3.26Å; L503-I506 PolarHBondContact O-N 2.82Å; V504-I506 PolarHBondContact O-N 2.79Å; I506-A508 VanDerWaalsContact C-N 3.34Å; I506-A508 PolarHBondContact O-N 3.18Å; I506-N509 PolarHBondContact O-N 3.09Å; I506-S510 PolarHBondContact O-N 3.1Å
507	S	94.2	Very high	87.4	Confident	12 Å²	12	50.1 Å²	50.1	8%	0.084	28%	0.276	C	S	.	.	H	α-helix	trans	-62.4	-40.8	178	-57.6	0	0	0	0	111.8	L503 V504 Q505 S510 A511 A524	L503-S507 PolarHBondContact O-N 3.33Å; L503-S507 PolarHBondContact O-OG 3.38Å; V504-S507 PolarHBondContact O-N 2.87Å; Q505-S507 VanDerWaalsContact C-N 3.33Å; S507-S510 PolarHBondContact O-N 2.94Å; S507-A511 WeakPolarHBondContact O-CB 3.38Å; S507-A511 PolarHBondContact O-N 3.13Å; S507-A524 WeakPolarHBondContact O-CB 3.31Å
508	A	94.9	Very high	86.2	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-68.3	-36.4	178	0	0	0	0	0	113	S476 I480 V504 Q505 I506 A511 A512 I527	S476-A508 WeakPolarHBondContact OG-CB 3.48Å; I480-A508 HydrophobicContact CB-CB 4.11Å; I480-A508 HydrophobicContact CG1-CB 3.99Å; I480-A508 HydrophobicContact CG2-CB 3.81Å; V504-A508 WeakPolarHBondContact O-CB 3.34Å; V504-A508 PolarHBondContact O-N 2.91Å; Q505-A508 PolarHBondContact O-N 3.37Å; I506-A508 VanDerWaalsContact C-N 3.34Å; I506-A508 PolarHBondContact O-N 3.18Å; A508-A511 PolarHBondContact O-N 2.67Å; A508-A512 WeakPolarHBondContact O-CB 3.42Å; A508-A512 PolarHBondContact O-N 2.86Å; A508-A512 VanDerWaalsContact O-N 3.12Å; A508-I527 HydrophobicContact CB-CD1 4.01Å; A508-I527 HydrophobicContact CB-CG2 4.49Å
509	N	92.9	Very high	85.8	Confident	96 Å²	96	60.7 Å²	60.7	51%	0.513	34%	0.336	S	S	.	.	H	α-helix	trans	-66.5	-40.5	174.6	-70	-12.5	0	0	0	111.4	Q505 I506 A512 S513	Q505-N509 PolarHBondContact NE2-OD1 3.46Å; Q505-N509 WeakPolarHBondContact O-CB 3.48Å; Q505-N509 PolarHBondContact O-N 3.38Å; Q505-N509 PolarHBondContact O-ND2 2.88Å; Q505-N509 PolarHBondContact O-OD1 2.93Å; I506-N509 PolarHBondContact O-N 3.09Å; N509-A512 PolarHBondContact O-N 3.35Å; N509-S513 PolarHBondContact O-N 2.94Å
510	S	92.9	Very high	85.8	Confident	31 Å²	31	58.3 Å²	58.3	22%	0.217	33%	0.326	C	S	.	.	H	α-helix	trans	-67.1	-38.5	174.3	177.8	0	0	0	0	112.1	I506 S507 A512 S513 L520	I506-S510 PolarHBondContact O-N 3.1Å; S507-S510 PolarHBondContact O-N 2.94Å; S510-A512 VanDerWaalsContact C-N 3.27Å; S510-A512 PolarHBondContact O-N 2.82Å; S510-S513 PolarHBondContact O-N 2.81Å; S510-S513 PolarHBondContact O-OG 3.25Å; S510-L520 WeakPolarHBondContact OG-CD2 3.19Å
511	A	92.6	Very high	85.8	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-64.9	-29.4	176.2	0	0	0	0	0	113.6	S507 A508 A524 I527 R528	S507-A511 WeakPolarHBondContact O-CB 3.38Å; S507-A511 PolarHBondContact O-N 3.13Å; A508-A511 PolarHBondContact O-N 2.67Å; A511-A524 WeakPolarHBondContact CB-O 3.33Å; A511-I527 HydrophobicContact CB-CB 3.82Å; A511-I527 HydrophobicContact CB-CG2 3.61Å; A511-R528 HydrophobicContact CB-CB 4Å
512	A	90.9	Very high	85.7	Confident	4 Å²	4	64.8 Å²	64.8	3%	0.033	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	9.1	-178.2	0	0	0	0	0	113.8	K472 R473 A508 N509 S510	K472-A512 HydrophobicContact CB-CB 3.84Å; R473-A512 HydrophobicContact CG-CB 3.93Å; A508-A512 WeakPolarHBondContact O-CB 3.42Å; A508-A512 PolarHBondContact O-N 2.86Å; A508-A512 VanDerWaalsContact O-N 3.12Å; N509-A512 PolarHBondContact O-N 3.35Å; S510-A512 VanDerWaalsContact C-N 3.27Å; S510-A512 PolarHBondContact O-N 2.82Å
513	S	88.3	Confident	85.7	Confident	34 Å²	34	58.1 Å²	58.1	24%	0.238	34%	0.337	C	S	.	.			trans	-70.3	150	179.6	68.2	0	0	0	0	112.1	N509 S510 T515	N509-S513 PolarHBondContact O-N 2.94Å; S510-S513 PolarHBondContact O-N 2.81Å; S510-S513 PolarHBondContact O-OG 3.25Å; S513-T515 PolarHBondContact OG-O 3.36Å
514	Q	83.6	Confident	85.9	Confident	126 Å²	126	55.4 Å²	55.4	59%	0.589	32%	0.323	S	S	*	.	S	Bend	trans	-69.3	-46	175.6	-173.9	-179.8	12.6	0	0	111.4	H469	H469-Q514 HydrophobicContact CB-CB 4.33Å
515	T	76.6	Confident	85.8	Confident	106 Å²	106	57.4 Å²	57.4	65%	0.65	34%	0.337	S	S	*	.	S	Bend	trans	-90.8	117.1	173.5	46.8	0	0	0	0	109	S513 T517	S513-T515 PolarHBondContact OG-O 3.36Å; T515-T517 PolarHBondContact O-N 2.91Å
516	P	60.7	Low	85.8	Confident	78 Å²	78	56.2 Å²	56.2	51%	0.506	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-60.9	121.2	169.2	-13.1	26.6	0	0	0	108
517	T	63	Low	86	Confident	75 Å²	75	51.7 Å²	51.7	46%	0.46	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-63.6	138.6	164	39.8	0	0	0	0	108.9	T515 S519	T515-T517 PolarHBondContact O-N 2.91Å; T517-S519 PolarHBondContact O-N 2.85Å
518	D	58.9	Low	86	Confident	177 Å²	177	54.1 Å²	54.1	95%	0.947	32%	0.316	S	S	*	.	S	Bend	trans	-58.9	-12.1	-173.6	-69.2	-37.7	0	0	0	114.8
519	S	79.1	Confident	85.9	Confident	105 Å²	105	60.9 Å²	60.9	73%	0.734	34%	0.342	S	S	*	.	S	Bend	trans	-143.6	106.2	164.1	58.4	0	0	0	0	112.1	T517	T517-S519 PolarHBondContact O-N 2.85Å
520	L	85.3	Confident	86.1	Confident	41 Å²	41	56.4 Å²	56.4	22%	0.215	32%	0.318	C	S	.	.			trans	-71.1	143.9	167.3	-68.9	176.2	0	0	0	109.5	S510 A524 S525	S510-L520 WeakPolarHBondContact OG-CD2 3.19Å; L520-A524 HydrophobicContact CB-CB 4.23Å; L520-A524 HydrophobicContact CD2-CB 4.14Å; L520-S525 VanDerWaalsContact CB-OG 3.3Å; L520-S525 WeakPolarHBondContact CB-OG 3.44Å
521	T	89.6	Confident	86.2	Confident	72 Å²	72	54.9 Å²	54.9	44%	0.442	31%	0.307	S	S	.	.			trans	-62.8	159.5	167.5	66	0	0	0	0	110.3	A523 A524 S525	T521-A523 VanDerWaalsContact C-N 3.28Å; T521-A523 PolarHBondContact O-N 2.89Å; T521-A524 PolarHBondContact O-N 3.26Å; T521-A524 VanDerWaalsContact OG1-CB 3.31Å; T521-A524 WeakPolarHBondContact OG1-CB 3.28Å; T521-A524 PolarHBondContact OG1-N 3.39Å; T521-A524 VanDerWaalsContact OG1-N 3.13Å; T521-S525 WeakPolarHBondContact O-CB 3.41Å; T521-S525 PolarHBondContact O-N 3.11Å; T521-S525 PolarHBondContact O-OG 3.47Å
522	P	90.9	Very high	86.2	Confident	76 Å²	76	57.7 Å²	57.7	49%	0.494	32%	0.322	S	S	.	.	H	α-helix	trans	-54	-44.7	175	-28.2	35.8	0	0	0	112.6	E430 S525 T526	E430-P522 HydrophobicContact CG-CB 4.35Å; P522-S525 WeakPolarHBondContact O-CB 3.46Å; P522-S525 PolarHBondContact O-N 3.02Å; P522-T526 PolarHBondContact O-N 3.38Å; P522-T526 PolarHBondContact O-OG1 3.04Å
523	A	92.2	Very high	86.4	Confident	4 Å²	4	60.4 Å²	60.4	3%	0.033	33%	0.332	C	S	.	.	H	α-helix	trans	-62	-46.3	176.1	0	0	0	0	0	112.8	V429 V433 T521 S525 T526 I527	V429-A523 HydrophobicContact CG1-CB 3.77Å; V433-A523 HydrophobicContact CG2-CB 4.38Å; T521-A523 VanDerWaalsContact C-N 3.28Å; T521-A523 PolarHBondContact O-N 2.89Å; A523-S525 VanDerWaalsContact C-N 3.28Å; A523-S525 PolarHBondContact O-N 3.35Å; A523-T526 PolarHBondContact O-N 2.9Å; A523-I527 WeakPolarHBondContact O-CG1 3.36Å; A523-I527 PolarHBondContact O-N 2.84Å
524	A	93.9	Very high	86.7	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-63.4	-36.6	176.9	0	0	0	0	0	111.7	S507 A511 L520 T521 I527 R528	S507-A524 WeakPolarHBondContact O-CB 3.31Å; A511-A524 WeakPolarHBondContact CB-O 3.33Å; L520-A524 HydrophobicContact CB-CB 4.23Å; L520-A524 HydrophobicContact CD2-CB 4.14Å; T521-A524 PolarHBondContact O-N 3.26Å; T521-A524 VanDerWaalsContact OG1-CB 3.31Å; T521-A524 WeakPolarHBondContact OG1-CB 3.28Å; T521-A524 PolarHBondContact OG1-N 3.39Å; T521-A524 VanDerWaalsContact OG1-N 3.13Å; A524-I527 PolarHBondContact O-N 3.47Å; A524-R528 WeakPolarHBondContact O-CB 3.46Å; A524-R528 PolarHBondContact O-N 2.94Å
525	S	93.3	Very high	87.1	Confident	42 Å²	42	53.5 Å²	53.5	29%	0.294	30%	0.296	S	S	.	.	H	α-helix	trans	-64	-43.5	175.2	-59.9	0	0	0	0	112	L520 T521 P522 A523 R528 R529	L520-S525 VanDerWaalsContact CB-OG 3.3Å; L520-S525 WeakPolarHBondContact CB-OG 3.44Å; T521-S525 WeakPolarHBondContact O-CB 3.41Å; T521-S525 PolarHBondContact O-N 3.11Å; T521-S525 PolarHBondContact O-OG 3.47Å; P522-S525 WeakPolarHBondContact O-CB 3.46Å; P522-S525 PolarHBondContact O-N 3.02Å; A523-S525 VanDerWaalsContact C-N 3.28Å; A523-S525 PolarHBondContact O-N 3.35Å; S525-R528 PolarHBondContact O-N 3Å; S525-R529 WeakPolarHBondContact O-CB 3.45Å; S525-R529 PolarHBondContact O-N 3.11Å
526	T	95.2	Very high	87.8	Confident	6 Å²	6	53.8 Å²	53.8	4%	0.037	29%	0.288	C	S	.	.	H	α-helix	trans	-65.1	-44.5	175.1	-60.7	0	0	0	0	111.5	V433 N434 D437 P522 A523 R528 R529 M530	V433-T526 HydrophobicContact CG1-CG2 3.64Å; N434-T526 WeakPolarHBondContact OD1-CG2 3.21Å; N434-T526 PolarHBondContact OD1-OG1 3.12Å; D437-T526 HydrophobicContact CB-CG2 3.82Å; P522-T526 PolarHBondContact O-N 3.38Å; P522-T526 PolarHBondContact O-OG1 3.04Å; A523-T526 PolarHBondContact O-N 2.9Å; T526-R528 VanDerWaalsContact C-N 3.33Å; T526-R528 PolarHBondContact O-N 3.1Å; T526-R529 PolarHBondContact O-N 2.9Å; T526-M530 WeakPolarHBondContact O-CB 3.3Å; T526-M530 PolarHBondContact O-N 2.93Å
527	I	96.2	Very high	89.2	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.6	-45.3	176.3	-66.2	170.8	0	0	0	110.7	V433 A508 A511 A523 A524 R529 M530 F531	V433-I527 HydrophobicContact CG1-CD1 4.35Å; V433-I527 HydrophobicContact CG1-CG1 3.54Å; V433-I527 HydrophobicContact CG2-CD1 4.05Å; V433-I527 HydrophobicContact CG2-CG1 4.12Å; A508-I527 HydrophobicContact CB-CD1 4.01Å; A508-I527 HydrophobicContact CB-CG2 4.49Å; A511-I527 HydrophobicContact CB-CB 3.82Å; A511-I527 HydrophobicContact CB-CG2 3.61Å; A523-I527 WeakPolarHBondContact O-CG1 3.36Å; A523-I527 PolarHBondContact O-N 2.84Å; A524-I527 PolarHBondContact O-N 3.47Å; I527-R529 PolarHBondContact O-N 2.87Å; I527-M530 HydrophobicContact CG2-CE 4.41Å; I527-M530 WeakPolarHBondContact O-CB 3.26Å; I527-M530 PolarHBondContact O-N 3.06Å; I527-F531 HydrophobicContact CG2-CD2 3.89Å; I527-F531 HydrophobicContact CG2-CE1 4.16Å; I527-F531 HydrophobicContact CG2-CE2 3.31Å; I527-F531 HydrophobicContact CG2-CZ 3.46Å; I527-F531 VanDerWaalsContact CG2-CZ 3.46Å; I527-F531 WeakPolarHBondContact O-CG 3.46Å; I527-F531 PolarHBondContact O-N 2.84Å
528	R	94.4	Very high	90.5	Very high	63 Å²	63	50.4 Å²	50.4	24%	0.238	26%	0.264	C	S	.	.	H	α-helix	trans	-60.2	-47.3	178.7	-177.8	169.3	178.4	150.4	-0.5	111.2	A511 A524 S525 T526 M530 F531 D532	A511-R528 HydrophobicContact CB-CB 4Å; A524-R528 WeakPolarHBondContact O-CB 3.46Å; A524-R528 PolarHBondContact O-N 2.94Å; S525-R528 PolarHBondContact O-N 3Å; T526-R528 VanDerWaalsContact C-N 3.33Å; T526-R528 PolarHBondContact O-N 3.1Å; R528-M530 VanDerWaalsContact C-N 3.33Å; R528-M530 PolarHBondContact O-N 3.02Å; R528-F531 PolarHBondContact O-N 3.19Å; R528-D532 WeakPolarHBondContact CG-OD2 3.3Å; R528-D532 WeakPolarHBondContact O-CB 3.44Å; R528-D532 VanDerWaalsContact O-CG 3.32Å; R528-D532 PolarHBondContact O-N 3.27Å
529	R	94.3	Very high	91.8	Very high	142 Å²	142	47.6 Å²	47.6	54%	0.536	25%	0.249	S	C	.	.	H	α-helix	trans	-59.5	-42.5	176.1	-168.9	-165.5	-50.2	146.6	6.1	112.1	S525 T526 I527 D532 R533	S525-R529 WeakPolarHBondContact O-CB 3.45Å; S525-R529 PolarHBondContact O-N 3.11Å; T526-R529 PolarHBondContact O-N 2.9Å; I527-R529 PolarHBondContact O-N 2.87Å; R529-D532 PolarHBondContact O-N 2.91Å; R529-R533 WeakPolarHBondContact O-CB 3.31Å; R529-R533 PolarHBondContact O-N 3.07Å
530	M	95.7	Very high	92	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-45.3	176.6	-179.5	-177.1	61.9	0	0	111	V436 L440 L479 T526 I527 R528 R533 I534	V436-M530 HydrophobicContact CG1-SD 4.01Å; L440-M530 HydrophobicContact CD2-CG 3.68Å; L440-M530 HydrophobicContact CD2-SD 3.9Å; L479-M530 HydrophobicContact CD2-CE 3.61Å; L479-M530 HydrophobicContact CD2-SD 4.06Å; T526-M530 WeakPolarHBondContact O-CB 3.3Å; T526-M530 PolarHBondContact O-N 2.93Å; I527-M530 HydrophobicContact CG2-CE 4.41Å; I527-M530 WeakPolarHBondContact O-CB 3.26Å; I527-M530 PolarHBondContact O-N 3.06Å; R528-M530 VanDerWaalsContact C-N 3.33Å; R528-M530 PolarHBondContact O-N 3.02Å; M530-R533 PolarHBondContact O-N 3.42Å; M530-I534 WeakPolarHBondContact O-CG1 3.18Å; M530-I534 PolarHBondContact O-N 2.75Å
531	F	95.4	Very high	91.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-67.7	-43	176.3	-63.2	-21.8	0	0	0	112.8	K472 L475 L479 I480 I527 R528 R533 I534 I535	K472-F531 HydrophobicContact CB-CD2 4.01Å; K472-F531 HydrophobicContact CG-CB 4.09Å; K472-F531 HydrophobicContact CG-CD2 4.33Å; L475-F531 HydrophobicContact CB-CD1 3.67Å; L475-F531 HydrophobicContact CB-CE1 3.7Å; L475-F531 HydrophobicContact CB-CG 4.11Å; L475-F531 HydrophobicContact CB-CZ 4.17Å; L475-F531 HydrophobicContact CD1-CB 3.92Å; L475-F531 HydrophobicContact CD1-CD1 3.95Å; L475-F531 HydrophobicContact CD1-CG 4.07Å; L475-F531 HydrophobicContact CG-CD1 4.43Å; L479-F531 HydrophobicContact CD2-CE1 4.43Å; I480-F531 HydrophobicContact CG1-CZ 4.19Å; I527-F531 HydrophobicContact CG2-CD2 3.89Å; I527-F531 HydrophobicContact CG2-CE1 4.16Å; I527-F531 HydrophobicContact CG2-CE2 3.31Å; I527-F531 HydrophobicContact CG2-CZ 3.46Å; I527-F531 VanDerWaalsContact CG2-CZ 3.46Å; I527-F531 WeakPolarHBondContact O-CG 3.46Å; I527-F531 PolarHBondContact O-N 2.84Å; R528-F531 PolarHBondContact O-N 3.19Å; F531-R533 PolarHBondContact O-N 3.27Å; F531-I534 PolarHBondContact O-N 3.3Å; F531-I534 VanDerWaalsContact O-N 3.09Å; F531-I535 WeakPolarHBondContact O-CG1 3.32Å; F531-I535 PolarHBondContact O-N 2.73Å
532	D	93.6	Very high	89.8	Confident	58 Å²	58	56.3 Å²	56.3	31%	0.31	27%	0.272	S	S	.	.	H	α-helix	trans	-58.7	-37.6	175.8	-73.7	-33.1	0	0	0	111.3	K472 R528 R529 I535 F536	K472-D532 WeakPolarHBondContact CE-OD1 3.36Å; K472-D532 IonicContact NZ-OD1 3.3Å; K472-D532 PolarHBondContact NZ-OD1 2.88Å; K472-D532 IonicContact NZ-OD2 2.61Å; K472-D532 PolarHBondContact NZ-OD2 3.02Å; R528-D532 WeakPolarHBondContact CG-OD2 3.3Å; R528-D532 WeakPolarHBondContact O-CB 3.44Å; R528-D532 VanDerWaalsContact O-CG 3.32Å; R528-D532 PolarHBondContact O-N 3.27Å; R529-D532 PolarHBondContact O-N 2.91Å; D532-I535 PolarHBondContact O-N 3.42Å; D532-F536 VanDerWaalsContact O-CB 3.28Å; D532-F536 WeakPolarHBondContact O-CB 3.21Å; D532-F536 PolarHBondContact O-N 2.85Å
533	R	93.9	Very high	87.9	Confident	62 Å²	62	58.9 Å²	58.9	23%	0.234	29%	0.288	C	S	.	.	H	α-helix	trans	-64.6	-41.6	174.2	-173.6	177.4	65.2	-148.9	-3.5	112.5	D437 L441 R529 M530 F531 F536 L537	D437-R533 PolarHBondContact O-NH2 2.99Å; D437-R533 VanDerWaalsContact O-NH2 3.16Å; D437-R533 IonicContact OD1-CZ 2.91Å; D437-R533 IonicContact OD1-NH1 2.67Å; D437-R533 PolarHBondContact OD1-NH1 3.43Å; D437-R533 IonicContact OD1-NH2 3.61Å; D437-R533 PolarHBondContact OD1-NH2 2.93Å; D437-R533 IonicContact OD2-NH1 3.76Å; L441-R533 VanDerWaalsContact CD2-CZ 3.47Å; R529-R533 WeakPolarHBondContact O-CB 3.31Å; R529-R533 PolarHBondContact O-N 3.07Å; M530-R533 PolarHBondContact O-N 3.42Å; F531-R533 PolarHBondContact O-N 3.27Å; R533-F536 PolarHBondContact O-N 2.81Å; R533-L537 WeakPolarHBondContact O-CG 3.27Å; R533-L537 PolarHBondContact O-N 2.95Å
534	I	94.1	Very high	85.8	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-64.2	-44.8	176.3	-63.1	170.4	0	0	0	110.3	L440 L450 A454 L475 M530 F531 F536 L537 V538	L440-I534 HydrophobicContact CD2-CD1 3.74Å; L440-I534 HydrophobicContact CD2-CG1 4.15Å; L450-I534 HydrophobicContact CB-CD1 3.95Å; L450-I534 HydrophobicContact CB-CG2 4.32Å; L450-I534 HydrophobicContact CD1-CD1 3.81Å; A454-I534 HydrophobicContact CB-CG2 3.93Å; L475-I534 HydrophobicContact CD1-CB 4.17Å; L475-I534 HydrophobicContact CD1-CD1 4.26Å; L475-I534 HydrophobicContact CD1-CG2 4.16Å; L475-I534 HydrophobicContact CD2-CD1 4.19Å; L475-I534 HydrophobicContact CD2-CG2 4.17Å; M530-I534 WeakPolarHBondContact O-CG1 3.18Å; M530-I534 PolarHBondContact O-N 2.75Å; F531-I534 PolarHBondContact O-N 3.3Å; F531-I534 VanDerWaalsContact O-N 3.09Å; I534-F536 VanDerWaalsContact C-N 3.29Å; I534-F536 PolarHBondContact O-N 2.87Å; I534-L537 WeakPolarHBondContact O-CB 3.42Å; I534-L537 PolarHBondContact O-N 3.09Å; I534-V538 PolarHBondContact O-N 3.37Å; I534-V538 VanDerWaalsContact O-N 3.15Å
535	I	92.6	Very high	83.2	Confident	13 Å²	13	71.4 Å²	71.4	7%	0.067	36%	0.361	C	S	.	.	H	α-helix	trans	-61.2	-41.7	176.8	-65.5	166.6	0	0	0	110.5	I471 K472 L475 F531 D532 L537 V538 N539	I471-I535 HydrophobicContact CB-CD1 4.2Å; I471-I535 HydrophobicContact CG2-CD1 3.99Å; I471-I535 HydrophobicContact CG2-CG1 3.79Å; K472-I535 HydrophobicContact CG-CD1 3.92Å; L475-I535 HydrophobicContact CD1-CG1 4.45Å; F531-I535 WeakPolarHBondContact O-CG1 3.32Å; F531-I535 PolarHBondContact O-N 2.73Å; D532-I535 PolarHBondContact O-N 3.42Å; I535-L537 VanDerWaalsContact C-N 3.34Å; I535-L537 PolarHBondContact O-N 2.65Å; I535-V538 WeakPolarHBondContact O-CB 3.32Å; I535-V538 PolarHBondContact O-N 2.91Å; I535-N539 PolarHBondContact O-N 3.08Å; I535-N539 VanDerWaalsContact O-N 3.1Å; I535-N539 PolarHBondContact O-ND2 3.23Å
536	F	91.6	Very high	80.7	Confident	113 Å²	113	73.4 Å²	73.4	50%	0.496	38%	0.375	S	S	.	.	H	α-helix	trans	-61.7	-40.7	175.7	-180	-100.4	0	0	0	112.5	D532 R533 I534 V538 N539 Q540	D532-F536 VanDerWaalsContact O-CB 3.28Å; D532-F536 WeakPolarHBondContact O-CB 3.21Å; D532-F536 PolarHBondContact O-N 2.85Å; R533-F536 PolarHBondContact O-N 2.81Å; I534-F536 VanDerWaalsContact C-N 3.29Å; I534-F536 PolarHBondContact O-N 2.87Å; F536-V538 VanDerWaalsContact C-N 3.3Å; F536-V538 PolarHBondContact O-N 3Å; F536-N539 PolarHBondContact O-N 3.37Å; F536-N539 VanDerWaalsContact O-N 3.17Å; F536-Q540 HydrophobicContact CD1-CG 4.16Å; F536-Q540 HydrophobicContact CE1-CG 3.79Å; F536-Q540 HydrophobicContact CE2-CG 4.33Å; F536-Q540 HydrophobicContact CZ-CG 3.9Å; F536-Q540 WeakPolarHBondContact O-CG 3.4Å; F536-Q540 PolarHBondContact O-N 3.29Å
537	L	90.9	Very high	78.4	Confident	55 Å²	55	76.6 Å²	76.6	29%	0.288	40%	0.395	S	S	.	.	H	α-helix	trans	-61.3	-38	174.9	-71.1	171.8	0	0	0	112.2	T447 R533 I534 I535 Q540 Q541	T447-L537 HydrophobicContact CG2-CD1 3.85Å; R533-L537 WeakPolarHBondContact O-CG 3.27Å; R533-L537 PolarHBondContact O-N 2.95Å; I534-L537 WeakPolarHBondContact O-CB 3.42Å; I534-L537 PolarHBondContact O-N 3.09Å; I535-L537 VanDerWaalsContact C-N 3.34Å; I535-L537 PolarHBondContact O-N 2.65Å; L537-Q540 PolarHBondContact O-N 3.26Å; L537-Q541 WeakPolarHBondContact O-CG 3.3Å; L537-Q541 PolarHBondContact O-N 3Å
538	V	89.6	Confident	75.9	Confident	27 Å²	27	84.5 Å²	84.5	16%	0.164	43%	0.432	C	S	.	.	H	α-helix	trans	-60.4	-48.4	172.8	176.5	0	0	0	0	110.2	T451 A454 E455 I534 I535 F536 Q540 Q541	T451-V538 HydrophobicContact CG2-CG2 3.58Å; A454-V538 HydrophobicContact CB-CG2 3.91Å; E455-V538 HydrophobicContact CB-CG1 3.81Å; E455-V538 HydrophobicContact CB-CG2 4.17Å; E455-V538 HydrophobicContact CG-CG1 3.97Å; I534-V538 PolarHBondContact O-N 3.37Å; I534-V538 VanDerWaalsContact O-N 3.15Å; I535-V538 WeakPolarHBondContact O-CB 3.32Å; I535-V538 PolarHBondContact O-N 2.91Å; F536-V538 VanDerWaalsContact C-N 3.3Å; F536-V538 PolarHBondContact O-N 3Å; V538-Q540 VanDerWaalsContact C-N 3.26Å; V538-Q540 PolarHBondContact O-N 3.41Å; V538-Q541 PolarHBondContact O-N 3.31Å
539	N	85.1	Confident	73.6	Confident	118 Å²	118	87.7 Å²	87.7	63%	0.631	45%	0.454	S	S	*	.	H	α-helix	trans	-67.7	-24.5	-177.5	-64.3	-21.5	0	0	0	113.6	I535 F536	I535-N539 PolarHBondContact O-N 3.08Å; I535-N539 VanDerWaalsContact O-N 3.1Å; I535-N539 PolarHBondContact O-ND2 3.23Å; F536-N539 PolarHBondContact O-N 3.37Å; F536-N539 VanDerWaalsContact O-N 3.17Å
540	Q	83.8	Confident	71.4	Confident	121 Å²	121	83.2 Å²	83.2	57%	0.565	45%	0.445	S	S	*	.	H	α-helix	trans	-82.6	-20.4	175.6	-75.3	-157.8	-26.2	0	0	113.7	F536 L537 V538 Q542	F536-Q540 HydrophobicContact CD1-CG 4.16Å; F536-Q540 HydrophobicContact CE1-CG 3.79Å; F536-Q540 HydrophobicContact CE2-CG 4.33Å; F536-Q540 HydrophobicContact CZ-CG 3.9Å; F536-Q540 WeakPolarHBondContact O-CG 3.4Å; F536-Q540 PolarHBondContact O-N 3.29Å; L537-Q540 PolarHBondContact O-N 3.26Å; V538-Q540 VanDerWaalsContact C-N 3.26Å; V538-Q540 PolarHBondContact O-N 3.41Å; Q540-Q542 PolarHBondContact O-N 3.24Å; Q540-Q542 VanDerWaalsContact O-N 3.08Å
541	Q	74.8	Confident	69.4	Low	109 Å²	109	91.5 Å²	91.5	51%	0.509	48%	0.483	S	S	.	.	S	Bend	trans	-69.6	108.3	174.5	-75.7	174.2	0.2	0	0	108	L537 V538	L537-Q541 WeakPolarHBondContact O-CG 3.3Å; L537-Q541 PolarHBondContact O-N 3Å; V538-Q541 PolarHBondContact O-N 3.31Å
542	Q	54.1	Low	67.5	Low	171 Å²	171	94.1 Å²	94.1	80%	0.799	50%	0.497	S	S	*	.			trans	-53.2	146.4	159.2	-77.7	179.2	-22.1	0	0	107.8	Q540 A544	Q540-Q542 PolarHBondContact O-N 3.24Å; Q540-Q542 VanDerWaalsContact O-N 3.08Å; Q542-A544 PolarHBondContact O-N 3.18Å
543	P	51.4	Low	65.7	Low	129 Å²	129	93.2 Å²	93.2	84%	0.838	50%	0.502	S	S	*	.			trans	-56.8	99.6	170.9	23.3	-30.3	0	0	0	106.4	E545	P543-E545 PolarHBondContact O-N 2.97Å; P543-E545 VanDerWaalsContact O-N 3.12Å
544	A	47.3	Very low	64.1	Low	86 Å²	86	97.2 Å²	97.2	71%	0.711	52%	0.523	S	S	*	.			trans	-58.4	123.7	173.8	0	0	0	0	0	104.4	Q542 S546	Q542-A544 PolarHBondContact O-N 3.18Å; A544-S546 PolarHBondContact O-N 3.23Å; A544-S546 VanDerWaalsContact O-N 3.09Å
545	E	39.8	Very low	62.7	Low	182 Å²	182	97.7 Å²	97.7	85%	0.85	53%	0.526	S	S	*	.			trans	-40.9	125.5	165.4	-71	179.1	162.1	0	0	106.5	P543 P547	P543-E545 PolarHBondContact O-N 2.97Å; P543-E545 VanDerWaalsContact O-N 3.12Å; E545-P547 WeakPolarHBondContact O-CD 3.17Å
546	S	40.5	Very low	61.9	Low	83 Å²	83	97.8 Å²	97.8	58%	0.58	53%	0.526	S	S	*	.			trans	-42.4	122.9	179.5	37.6	0	0	0	0	107.5	A544 E548	A544-S546 PolarHBondContact O-N 3.23Å; A544-S546 VanDerWaalsContact O-N 3.09Å; S546-E548 PolarHBondContact O-N 2.95Å
547	P	47.4	Very low	61.6	Low	73 Å²	73	93.4 Å²	93.4	47%	0.474	51%	0.509	S	S	.	.			trans	-69.9	76.6	167.7	28.2	-29.2	0	0	0	105.6	E545 D549	E545-P547 WeakPolarHBondContact O-CD 3.17Å; P547-D549 PolarHBondContact O-N 2.79Å
548	E	44.3	Very low	61.4	Low	166 Å²	166	91.7 Å²	91.7	78%	0.776	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	115.3	156.7	-70.4	-170	159.4	0	0	104.1	S546	S546-E548 PolarHBondContact O-N 2.95Å
549	D	45.4	Very low	61.4	Low	131 Å²	131	90.7 Å²	90.7	70%	0.701	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	55.1	179.8	-55.6	-28.2	0	0	0	115.9	P547 E551	P547-D549 PolarHBondContact O-N 2.79Å; D549-E551 VanDerWaalsContact C-N 3.31Å; D549-E551 PolarHBondContact O-N 3.27Å
550	S	48.2	Very low	61.8	Low	48 Å²	48	85 Å²	85	34%	0.336	46%	0.462	S	S	.	.			trans	-61.9	105	146.7	39.3	0	0	0	0	107.6	I552	S550-I552 PolarHBondContact O-N 3.08Å
551	E	53	Low	62.2	Low	175 Å²	175	79.3 Å²	79.3	82%	0.818	44%	0.435	S	S	*	.			trans	-43.2	131.2	172.6	-78.8	-172.7	158.6	0	0	108.4	D549 G553	D549-E551 VanDerWaalsContact C-N 3.31Å; D549-E551 PolarHBondContact O-N 3.27Å; E551-G553 PolarHBondContact O-N 3.39Å
552	I	56.6	Low	63	Low	55 Å²	55	74.1 Å²	74.1	28%	0.282	41%	0.411	S	S	.	.			trans	-61.4	95.4	170.9	-61	177.2	0	0	0	104.9	L312 L319 F359 S550 V555	L312-I552 HydrophobicContact CD2-CG2 4.04Å; L319-I552 HydrophobicContact CD1-CD1 4.15Å; F359-I552 HydrophobicContact CD2-CG1 4.45Å; S550-I552 PolarHBondContact O-N 3.08Å; I552-V555 HydrophobicContact CG2-CB 4.09Å; I552-V555 HydrophobicContact CG2-CG2 3.25Å
553	G	54.7	Low	65	Low	40 Å²	40	66.1 Å²	66.1	41%	0.412	37%	0.374	S	S	.	.			trans	-57.4	-175.2	173.1	0	0	0	0	0	110.3	E551 V555	E551-G553 PolarHBondContact O-N 3.39Å; G553-V555 WeakPolarHBondContact O-CG2 3.36Å; G553-V555 PolarHBondContact O-N 3.42Å
554	E	60.2	Low	67.1	Low	145 Å²	145	60 Å²	60	68%	0.678	33%	0.334	S	S	*	.	S	Bend	trans	-56.2	96.9	-176.1	-163.5	-174.6	171.4	0	0	112.6	R157	R157-E554 IonicContact CZ-OE1 3.12Å; R157-E554 IonicContact NH1-OE1 2.7Å; R157-E554 PolarHBondContact NH1-OE1 3.44Å; R157-E554 IonicContact NH2-OE1 2.71Å; R157-E554 PolarHBondContact NH2-OE1 2.93Å
555	V	65.8	Low	69.2	Low	12 Å²	12	56.5 Å²	56.5	7%	0.073	30%	0.303	C	S	.	.			trans	-93.8	129.1	177.7	177.4	0	0	0	0	109	L312 L352 N356 I552 G553 T557 I560	L312-V555 HydrophobicContact CD1-CB 4.05Å; L312-V555 HydrophobicContact CD1-CG1 4.49Å; L352-V555 HydrophobicContact CD2-CG1 3.92Å; N356-V555 HydrophobicContact CB-CG2 4.02Å; N356-V555 WeakPolarHBondContact ND2-CG2 3.45Å; I552-V555 HydrophobicContact CG2-CB 4.09Å; I552-V555 HydrophobicContact CG2-CG2 3.25Å; G553-V555 WeakPolarHBondContact O-CG2 3.36Å; G553-V555 PolarHBondContact O-N 3.42Å; V555-T557 PolarHBondContact O-N 2.89Å; V555-I560 HydrophobicContact CB-CD1 4.43Å; V555-I560 HydrophobicContact CG1-CD1 3.42Å; V555-I560 VanDerWaalsContact CG1-CD1 3.42Å; V555-I560 HydrophobicContact CG1-CG1 4Å
556	H	75.7	Confident	71.9	Confident	15 Å²	15	47.9 Å²	47.9	7%	0.069	26%	0.262	C	S	.	.			trans	-71.3	100.6	177.1	-69.1	-120.6	0	0	0	109.5	R157 L355 E558 W559	R157-H556 VanDerWaalsContact CD-CE1 3.42Å; R157-H556 WeakPolarHBondContact CD-CE1 3.32Å; R157-H556 WeakPolarHBondContact CD-ND1 3.42Å; R157-H556 PolarHBondContact NH1-CD2 3.04Å; R157-H556 VanDerWaalsContact NH1-CD2 3.28Å; R157-H556 PolarHBondContact NH1-CE1 2.76Å; R157-H556 VanDerWaalsContact NH1-CE1 3.3Å; R157-H556 PolarHBondContact NH1-ND1 2.86Å; R157-H556 PolarHBondContact NH1-NE2 3.21Å; L355-H556 HydrophobicContact CD1-CB 3.85Å; L355-H556 VanDerWaalsContact CD1-CD2 3.43Å; L355-H556 WeakPolarHBondContact CD1-CD2 3.5Å; L355-H556 VanDerWaalsContact CD1-CG 3.43Å; L355-H556 WeakPolarHBondContact CD2-NE2 3.49Å; H556-E558 WeakPolarHBondContact CA-OE2 3.04Å; H556-E558 WeakPolarHBondContact CB-OE2 3.31Å; H556-E558 PolarHBondContact O-N 2.84Å; H556-W559 PolarHBondContact O-N 3.03Å
557	T	84.8	Confident	74.4	Confident	21 Å²	21	44 Å²	44	13%	0.129	24%	0.235	C	C	.	.	H	α-helix	trans	-65	-16.9	-176.1	49.4	0	0	0	0	112.9	V309 L312 Y315 V555 I560 S561	V309-T557 WeakPolarHBondContact CG1-OG1 3.27Å; L312-T557 HydrophobicContact CB-CG2 4.03Å; L312-T557 HydrophobicContact CD1-CG2 4.09Å; Y315-T557 HydrophobicContact CD2-CG2 3.97Å; Y315-T557 HydrophobicContact CE2-CG2 4.08Å; V555-T557 PolarHBondContact O-N 2.89Å; T557-I560 PolarHBondContact O-N 3.47Å; T557-S561 WeakPolarHBondContact O-CB 3.12Å; T557-S561 PolarHBondContact O-N 3.13Å
558	E	86.4	Confident	76.5	Confident	18 Å²	18	40.6 Å²	40.6	8%	0.084	21%	0.213	C	C	.	.	H	α-helix	trans	-57.9	-48.1	172.2	-64	83.6	176.5	0	0	112.9	R160 V186 V309 H556 I560 S561 C562	R160-E558 IonicContact CZ-OE1 2.79Å; R160-E558 VanDerWaalsContact NH1-CG 3.33Å; R160-E558 IonicContact NH2-OE1 2.95Å; R160-E558 PolarHBondContact NH2-OE1 3.21Å; V186-E558 HydrophobicContact CG2-CB 3.73Å; V186-E558 HydrophobicContact CG2-CG 3.76Å; V309-E558 HydrophobicContact CG2-CG 4.42Å; H556-E558 WeakPolarHBondContact CA-OE2 3.04Å; H556-E558 WeakPolarHBondContact CB-OE2 3.31Å; H556-E558 PolarHBondContact O-N 2.84Å; E558-I560 VanDerWaalsContact C-N 3.31Å; E558-S561 WeakPolarHBondContact O-CB 3.37Å; E558-S561 PolarHBondContact O-N 3.03Å; E558-C562 PolarHBondContact O-N 3.36Å; E558-C562 PolarHBondContact O-SG 3.02Å; E558-C562 VanDerWaalsContact O-SG 3.33Å
559	W	90.6	Very high	78.7	Confident	6 Å²	6	34.3 Å²	34.3	2%	0.023	18%	0.184	C	C	.	.	H	α-helix	trans	-74.9	-28.8	-176.6	-57.7	122.8	0	0	0	111	W116 L153 P247 H351 L352 H556 L563	W116-W559 AromaticContact CH2-CH2 3.69Å; W116-W559 HydrophobicContact CH2-CH2 3.69Å; W116-W559 HydrophobicContact CH2-CZ2 4.14Å; W116-W559 AromaticContact CZ3-CH2 3.48Å; W116-W559 HydrophobicContact CZ3-CH2 3.48Å; W116-W559 VanDerWaalsContact CZ3-CH2 3.48Å; W116-W559 AromaticContact CZ3-CZ2 3.9Å; W116-W559 HydrophobicContact CZ3-CZ2 3.9Å; L153-W559 HydrophobicContact CD2-CZ2 4.3Å; P247-W559 HydrophobicContact CB-CH2 4.27Å; P247-W559 HydrophobicContact CB-CZ3 4.15Å; P247-W559 HydrophobicContact CG-CH2 4.25Å; P247-W559 HydrophobicContact CG-CZ3 4.41Å; H351-W559 HydrophobicContact CB-CB 4.49Å; H351-W559 HydrophobicContact CB-CD2 3.95Å; H351-W559 HydrophobicContact CB-CG 3.81Å; H351-W559 AromaticContact CE1-CH2 3.66Å; H351-W559 AromaticContact CE1-CZ2 3.83Å; H351-W559 AromaticContact CE1-CZ3 3.86Å; H351-W559 AromaticContact CG-CE2 3.96Å; H351-W559 AromaticContact ND1-CD2 3.34Å; H351-W559 VanDerWaalsContact ND1-CD2 3.34Å; H351-W559 AromaticContact ND1-CE2 3.31Å; H351-W559 VanDerWaalsContact ND1-CE2 3.31Å; H351-W559 AromaticContact ND1-CE3 3.38Å; H351-W559 AromaticContact ND1-CH2 3.45Å; H351-W559 WeakPolarHBondContact ND1-CH2 3.43Å; H351-W559 AromaticContact ND1-CZ2 3.38Å; H351-W559 WeakPolarHBondContact ND1-CZ2 3.14Å; H351-W559 AromaticContact ND1-CZ3 3.44Å; H351-W559 WeakPolarHBondContact ND1-CZ3 2.85Å; L352-W559 HydrophobicContact CD2-CB 3.91Å; L352-W559 HydrophobicContact CG-CB 4.03Å; H556-W559 PolarHBondContact O-N 3.03Å; W559-L563 WeakPolarHBondContact O-CB 3.41Å; W559-L563 PolarHBondContact O-N 2.84Å
560	I	92.4	Very high	80.8	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-67.3	-43.1	169.1	-51.6	170.4	0	0	0	110.3	L312 Y315 L318 L319 L352 V555 T557 E558 L563 T564	L312-I560 HydrophobicContact CD1-CD1 3.96Å; Y315-I560 HydrophobicContact CD1-CB 4.18Å; Y315-I560 HydrophobicContact CD1-CG2 3.32Å; Y315-I560 HydrophobicContact CD2-CD1 4.46Å; Y315-I560 HydrophobicContact CD2-CG2 4.37Å; Y315-I560 HydrophobicContact CE1-CB 4.39Å; Y315-I560 HydrophobicContact CE1-CG2 3.85Å; Y315-I560 HydrophobicContact CG-CB 4.28Å; Y315-I560 HydrophobicContact CG-CD1 4.4Å; Y315-I560 HydrophobicContact CG-CG2 3.65Å; L318-I560 HydrophobicContact CD2-CG2 3.9Å; L319-I560 HydrophobicContact CD1-CD1 3.95Å; L319-I560 HydrophobicContact CD2-CD1 3.92Å; L319-I560 HydrophobicContact CD2-CG1 4.29Å; L319-I560 HydrophobicContact CG-CD1 4.33Å; L352-I560 HydrophobicContact CD2-CG1 3.93Å; V555-I560 HydrophobicContact CB-CD1 4.43Å; V555-I560 HydrophobicContact CG1-CD1 3.42Å; V555-I560 VanDerWaalsContact CG1-CD1 3.42Å; V555-I560 HydrophobicContact CG1-CG1 4Å; T557-I560 PolarHBondContact O-N 3.47Å; E558-I560 VanDerWaalsContact C-N 3.31Å; I560-L563 PolarHBondContact O-N 2.93Å; I560-T564 WeakPolarHBondContact O-CB 3.23Å; I560-T564 PolarHBondContact O-N 2.77Å; I560-T564 PolarHBondContact O-OG1 2.81Å
561	S	92.1	Very high	82.7	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.7	-50.7	176.6	178.5	0	0	0	0	111.4	C307 P308 Y315 T557 E558 L563 T564 Y565 H595	C307-S561 VanDerWaalsContact CB-OG 3.24Å; C307-S561 WeakPolarHBondContact CB-OG 3.47Å; P308-S561 WeakPolarHBondContact O-CB 3.35Å; P308-S561 PolarHBondContact O-OG 3.27Å; Y315-S561 WeakPolarHBondContact OH-CB 3.38Å; T557-S561 WeakPolarHBondContact O-CB 3.12Å; T557-S561 PolarHBondContact O-N 3.13Å; E558-S561 WeakPolarHBondContact O-CB 3.37Å; E558-S561 PolarHBondContact O-N 3.03Å; S561-L563 VanDerWaalsContact C-N 3.34Å; S561-L563 PolarHBondContact O-N 3.05Å; S561-T564 WeakPolarHBondContact O-CB 3.37Å; S561-T564 PolarHBondContact O-N 2.82Å; S561-Y565 PolarHBondContact O-N 2.85Å; S561-H595 PolarHBondContact OG-CD2 3.41Å; S561-H595 VanDerWaalsContact OG-CD2 3.29Å; S561-H595 PolarHBondContact OG-NE2 2.84Å
562	C	93.4	Very high	84.2	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59	-42.7	174.8	-68.5	0	0	0	0	112.3	I188 F344 E558 Y565 M566	I188-C562 HydrophobicContact CD1-CB 4.25Å; F344-C562 HydrophobicContact CE1-CB 4.05Å; F344-C562 HydrophobicContact CZ-CB 4.25Å; E558-C562 PolarHBondContact O-N 3.36Å; E558-C562 PolarHBondContact O-SG 3.02Å; E558-C562 VanDerWaalsContact O-SG 3.33Å; C562-Y565 PolarHBondContact O-N 2.8Å; C562-M566 WeakPolarHBondContact O-CG 3.41Å; C562-M566 PolarHBondContact O-N 2.79Å
563	L	95.1	Very high	85.5	Confident	3 Å²	3	22 Å²	22	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-64.8	-42.4	177.2	-179.1	60	0	0	0	111.7	I322 L330 M345 C348 I349 L352 W559 I560 S561 Y565 M566 I567	I322-L563 HydrophobicContact CD1-CD2 3.9Å; L330-L563 HydrophobicContact CD2-CD1 4.17Å; M345-L563 HydrophobicContact CG-CD1 3.64Å; M345-L563 HydrophobicContact SD-CD1 4.5Å; C348-L563 HydrophobicContact CB-CB 4.4Å; I349-L563 HydrophobicContact CD1-CD1 4.41Å; I349-L563 HydrophobicContact CG1-CD1 4.17Å; I349-L563 HydrophobicContact CG1-CD2 4.32Å; L352-L563 HydrophobicContact CD1-CD2 4.06Å; W559-L563 WeakPolarHBondContact O-CB 3.41Å; W559-L563 PolarHBondContact O-N 2.84Å; I560-L563 PolarHBondContact O-N 2.93Å; S561-L563 VanDerWaalsContact C-N 3.34Å; S561-L563 PolarHBondContact O-N 3.05Å; L563-Y565 VanDerWaalsContact C-N 3.3Å; L563-Y565 PolarHBondContact O-N 2.9Å; L563-M566 PolarHBondContact O-N 2.82Å; L563-I567 HydrophobicContact CD1-CD1 4.34Å; L563-I567 HydrophobicContact CG-CD1 4.02Å; L563-I567 VanDerWaalsContact O-CG1 3.29Å; L563-I567 WeakPolarHBondContact O-CG1 3.28Å; L563-I567 PolarHBondContact O-N 2.73Å
564	T	94.7	Very high	86.3	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.9	-43.8	175.8	-54.2	0	0	0	0	110.6	L318 I560 S561 I567 G568 L591 I592 H595	L318-T564 HydrophobicContact CD2-CG2 4.37Å; L318-T564 WeakPolarHBondContact CD2-OG1 3.36Å; I560-T564 WeakPolarHBondContact O-CB 3.23Å; I560-T564 PolarHBondContact O-N 2.77Å; I560-T564 PolarHBondContact O-OG1 2.81Å; S561-T564 WeakPolarHBondContact O-CB 3.37Å; S561-T564 PolarHBondContact O-N 2.82Å; T564-I567 PolarHBondContact O-N 2.82Å; T564-G568 PolarHBondContact O-N 3.37Å; T564-L591 HydrophobicContact CG2-CD2 4.41Å; T564-L591 HydrophobicContact CG2-CG 4.11Å; T564-I592 HydrophobicContact CG2-CG1 4.07Å; T564-H595 HydrophobicContact CG2-CB 4.24Å
565	Y	93.3	Very high	86.4	Confident	14 Å²	14	19 Å²	19	6%	0.055	11%	0.107	C	C	.	.	H	α-helix	trans	-61.2	-47.5	174.4	177.2	-102.5	0	0	0	111.6	I188 N305 C307 S561 C562 L563 I567 G568 H569 H595 H596	I188-Y565 HydrophobicContact CD1-CD1 4.14Å; N305-Y565 HydrophobicContact CB-CE1 3.94Å; N305-Y565 HydrophobicContact CB-CE2 4.17Å; N305-Y565 VanDerWaalsContact CG-CZ 3.49Å; N305-Y565 PolarHBondContact ND2-OH 2.88Å; N305-Y565 VanDerWaalsContact ND2-OH 3.16Å; N305-Y565 PolarHBondContact OD1-OH 3Å; C307-Y565 VanDerWaalsContact SG-CB 3.58Å; C307-Y565 VanDerWaalsContact SG-CG 3.57Å; S561-Y565 PolarHBondContact O-N 2.85Å; C562-Y565 PolarHBondContact O-N 2.8Å; L563-Y565 VanDerWaalsContact C-N 3.3Å; L563-Y565 PolarHBondContact O-N 2.9Å; Y565-I567 VanDerWaalsContact C-N 3.33Å; Y565-I567 PolarHBondContact O-N 2.83Å; Y565-G568 PolarHBondContact O-N 2.83Å; Y565-H569 WeakPolarHBondContact O-CB 3.39Å; Y565-H569 PolarHBondContact O-N 3.06Å; Y565-H595 WeakPolarHBondContact CD2-O 3.4Å; Y565-H596 AromaticContact CD2-CE1 3.73Å; Y565-H596 AromaticContact CD2-NE2 3.62Å; Y565-H596 AromaticContact CE2-CD2 3.87Å; Y565-H596 AromaticContact CE2-NE2 3.65Å; Y565-H596 PolarHBondContact O-CE1 2.77Å; Y565-H596 VanDerWaalsContact O-CE1 3.23Å; Y565-H596 PolarHBondContact O-NE2 2.86Å
566	M	95	Very high	86.2	Confident	1 Å²	1	22.5 Å²	22.5	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-59.3	-41.2	176.3	-69.6	-66	100.8	0	0	112.9	L337 L341 F344 M345 C562 L563 H569 S570	L337-M566 HydrophobicContact CD1-CB 4.27Å; L341-M566 HydrophobicContact CB-SD 3.97Å; L341-M566 HydrophobicContact CD2-CE 4.33Å; L341-M566 HydrophobicContact CD2-SD 4.36Å; F344-M566 HydrophobicContact CD1-CE 4.36Å; F344-M566 HydrophobicContact CD1-CG 4.16Å; F344-M566 HydrophobicContact CD1-SD 3.97Å; M345-M566 HydrophobicContact CB-CB 4.3Å; M345-M566 HydrophobicContact CB-CG 4.23Å; M345-M566 HydrophobicContact CG-CB 4.32Å; C562-M566 WeakPolarHBondContact O-CG 3.41Å; C562-M566 PolarHBondContact O-N 2.79Å; L563-M566 PolarHBondContact O-N 2.82Å; M566-H569 PolarHBondContact O-N 3.37Å; M566-S570 PolarHBondContact O-N 3.14Å
567	I	93.6	Very high	85.5	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-62.3	-50.5	176.3	-67.4	161.5	0	0	0	109.8	L318 I329 L330 P333 L563 T564 Y565 H569 S570 L571 I592	L318-I567 HydrophobicContact CD1-CD1 4.07Å; I329-I567 HydrophobicContact CD1-CD1 4.22Å; I329-I567 HydrophobicContact CG1-CD1 4.04Å; I329-I567 HydrophobicContact CG1-CG2 4.2Å; L330-I567 HydrophobicContact CD2-CD1 4.15Å; L330-I567 HydrophobicContact CD2-CG1 4.47Å; P333-I567 HydrophobicContact CG-CG1 4.15Å; L563-I567 HydrophobicContact CD1-CD1 4.34Å; L563-I567 HydrophobicContact CG-CD1 4.02Å; L563-I567 VanDerWaalsContact O-CG1 3.29Å; L563-I567 WeakPolarHBondContact O-CG1 3.28Å; L563-I567 PolarHBondContact O-N 2.73Å; T564-I567 PolarHBondContact O-N 2.82Å; Y565-I567 VanDerWaalsContact C-N 3.33Å; Y565-I567 PolarHBondContact O-N 2.83Å; I567-H569 PolarHBondContact O-N 3.24Å; I567-S570 WeakPolarHBondContact O-CB 3.48Å; I567-S570 PolarHBondContact O-N 3.15Å; I567-S570 PolarHBondContact O-OG 3.18Å; I567-L571 PolarHBondContact O-N 2.79Å; I567-I592 HydrophobicContact CG2-CD1 3.8Å
568	G	91.4	Very high	84.2	Confident	1 Å²	1	28 Å²	28	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-65.5	-36.6	179	0	0	0	0	0	113.8	T564 Y565 S570 L571 T572 I592 H596	T564-G568 PolarHBondContact O-N 3.37Å; Y565-G568 PolarHBondContact O-N 2.83Å; G568-S570 VanDerWaalsContact C-N 3.25Å; G568-S570 PolarHBondContact O-N 3.11Å; G568-L571 WeakPolarHBondContact O-CA 3.38Å; G568-L571 WeakPolarHBondContact O-CB 3.44Å; G568-L571 PolarHBondContact O-N 2.8Å; G568-T572 PolarHBondContact O-N 2.89Å; G568-I592 VanDerWaalsContact CA-CG2 3.43Å; G568-H596 VanDerWaalsContact C-CE1 3.47Å; G568-H596 VanDerWaalsContact C-NE2 3.27Å; G568-H596 WeakPolarHBondContact CA-CE1 3.43Å
569	H	90.7	Very high	82.5	Confident	34 Å²	34	32.8 Å²	32.8	16%	0.157	21%	0.21	C	C	.	.	H	α-helix	trans	-62.2	-38.7	176.4	-171.1	60.2	0	0	0	110.5	Y565 M566 I567 L571 T572 I573 H596	Y565-H569 WeakPolarHBondContact O-CB 3.39Å; Y565-H569 PolarHBondContact O-N 3.06Å; M566-H569 PolarHBondContact O-N 3.37Å; I567-H569 PolarHBondContact O-N 3.24Å; H569-L571 VanDerWaalsContact C-N 3.27Å; H569-L571 PolarHBondContact O-N 2.73Å; H569-T572 WeakPolarHBondContact CA-OG1 3.41Å; H569-T572 PolarHBondContact O-N 2.78Å; H569-T572 VanDerWaalsContact O-N 3.15Å; H569-T572 PolarHBondContact O-OG1 3.26Å; H569-I573 WeakPolarHBondContact O-CG1 3.45Å; H569-I573 PolarHBondContact O-N 2.77Å; H569-H596 PolarHBondContact N-CE1 3.41Å; H569-H596 PolarHBondContact N-NE2 3.36Å
570	S	90.4	Very high	80.8	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.007	24%	0.241	C	C	.	.	H	α-helix	trans	-62.4	-31.5	173.4	84.8	0	0	0	0	113.5	P333 M566 I567 G568 R574	P333-S570 WeakPolarHBondContact CG-OG 3.33Å; M566-S570 PolarHBondContact O-N 3.14Å; I567-S570 WeakPolarHBondContact O-CB 3.48Å; I567-S570 PolarHBondContact O-N 3.15Å; I567-S570 PolarHBondContact O-OG 3.18Å; G568-S570 VanDerWaalsContact C-N 3.25Å; G568-S570 PolarHBondContact O-N 3.11Å; S570-R574 PolarHBondContact O-N 2.79Å; S570-R574 VanDerWaalsContact O-N 3.1Å
571	L	86.8	Confident	79.2	Confident	38 Å²	38	45.5 Å²	45.5	20%	0.199	27%	0.273	C	S	.	.	H	α-helix	trans	-71.3	-37.6	174.1	-61.9	174.3	0	0	0	111.5	I567 G568 H569 I573 R574 S575 V582 L584 I592	I567-L571 PolarHBondContact O-N 2.79Å; G568-L571 WeakPolarHBondContact O-CA 3.38Å; G568-L571 WeakPolarHBondContact O-CB 3.44Å; G568-L571 PolarHBondContact O-N 2.8Å; H569-L571 VanDerWaalsContact C-N 3.27Å; H569-L571 PolarHBondContact O-N 2.73Å; L571-I573 VanDerWaalsContact C-N 3.35Å; L571-R574 WeakPolarHBondContact O-CB 3.38Å; L571-R574 PolarHBondContact O-N 2.95Å; L571-S575 PolarHBondContact O-N 3.21Å; L571-V582 HydrophobicContact CD2-CB 4.05Å; L571-V582 HydrophobicContact CD2-CG1 4.46Å; L571-V582 HydrophobicContact CD2-CG2 3.93Å; L571-L584 HydrophobicContact CD1-CD1 3.83Å; L571-I592 HydrophobicContact CD1-CD1 3.89Å; L571-I592 HydrophobicContact CD1-CG2 4.44Å
572	T	85.4	Confident	77.9	Confident	68 Å²	68	47.5 Å²	47.5	42%	0.417	29%	0.286	S	S	.	.	H	α-helix	trans	-66.6	-34.6	175.2	60.6	0	0	0	0	112.9	G568 H569 S575	G568-T572 PolarHBondContact O-N 2.89Å; H569-T572 WeakPolarHBondContact CA-OG1 3.41Å; H569-T572 PolarHBondContact O-N 2.78Å; H569-T572 VanDerWaalsContact O-N 3.15Å; H569-T572 PolarHBondContact O-OG1 3.26Å; T572-S575 PolarHBondContact O-OG 3.23Å; T572-S575 VanDerWaalsContact O-OG 3.05Å
573	I	83.1	Confident	77.1	Confident	44 Å²	44	55.5 Å²	55.5	23%	0.226	32%	0.322	C	S	.	.	H	α-helix	trans	-68.4	-39.1	173	-65.1	168.2	0	0	0	110.3	V336 L337 H569 L571 A576 T577	V336-I573 HydrophobicContact CB-CG2 4.45Å; L337-I573 HydrophobicContact CD2-CD1 4.38Å; H569-I573 WeakPolarHBondContact O-CG1 3.45Å; H569-I573 PolarHBondContact O-N 2.77Å; L571-I573 VanDerWaalsContact C-N 3.35Å; I573-A576 WeakPolarHBondContact O-CB 3.24Å; I573-A576 PolarHBondContact O-N 2.92Å; I573-T577 WeakPolarHBondContact O-CG2 3.46Å; I573-T577 PolarHBondContact O-N 3.48Å; I573-T577 PolarHBondContact O-OG1 3.46Å
574	R	70.9	Confident	76.6	Confident	25 Å²	25	56.1 Å²	56.1	9%	0.094	33%	0.326	C	S	.	.	H	α-helix	trans	-64.3	-48.6	178.7	-177.6	179.8	-176.6	131.8	-9.5	112.5	W332 S570 L571 A576 T577 S578 E580	W332-R574 VanDerWaalsContact CE2-NH1 3.32Å; W332-R574 HydrophobicContact CH2-CG 4.48Å; W332-R574 HydrophobicContact CZ2-CB 3.81Å; W332-R574 HydrophobicContact CZ2-CG 3.5Å; S570-R574 PolarHBondContact O-N 2.79Å; S570-R574 VanDerWaalsContact O-N 3.1Å; L571-R574 WeakPolarHBondContact O-CB 3.38Å; L571-R574 PolarHBondContact O-N 2.95Å; R574-A576 PolarHBondContact O-N 3.16Å; R574-A576 VanDerWaalsContact O-N 3.08Å; R574-T577 WeakPolarHBondContact CA-OG1 3.49Å; R574-T577 CarbonylContact O-C 3.6Å; R574-T577 PolarHBondContact O-N 2.75Å; R574-T577 PolarHBondContact O-OG1 2.92Å; R574-S578 WeakPolarHBondContact CG-OG 3.38Å; R574-S578 PolarHBondContact O-N 2.9Å; R574-E580 PolarHBondContact NE-O 2.91Å; R574-E580 PolarHBondContact NH2-O 2.78Å; R574-E580 IonicContact NH2-OE2 3.64Å
575	S	63	Low	76.3	Confident	96 Å²	96	59.2 Å²	59.2	67%	0.671	35%	0.346	S	S	*	.	H	α-helix	trans	-59.1	-25	178.6	62	0	0	0	0	112.7	L571 T572	L571-S575 PolarHBondContact O-N 3.21Å; T572-S575 PolarHBondContact O-OG 3.23Å; T572-S575 VanDerWaalsContact O-OG 3.05Å
576	A	61.4	Low	76	Confident	85 Å²	85	63.7 Å²	63.7	70%	0.702	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-15.7	172.8	0	0	0	0	0	114.4	I573 R574	I573-A576 WeakPolarHBondContact O-CB 3.24Å; I573-A576 PolarHBondContact O-N 2.92Å; R574-A576 PolarHBondContact O-N 3.16Å; R574-A576 VanDerWaalsContact O-N 3.08Å
577	T	61.3	Low	75.8	Confident	101 Å²	101	66.7 Å²	66.7	62%	0.62	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127	-20.7	-167.8	53	0	0	0	0	115.9	I573 R574	I573-T577 WeakPolarHBondContact O-CG2 3.46Å; I573-T577 PolarHBondContact O-N 3.48Å; I573-T577 PolarHBondContact O-OG1 3.46Å; R574-T577 WeakPolarHBondContact CA-OG1 3.49Å; R574-T577 CarbonylContact O-C 3.6Å; R574-T577 PolarHBondContact O-N 2.75Å; R574-T577 PolarHBondContact O-OG1 2.92Å
578	S	57.6	Low	75.7	Confident	50 Å²	50	66.7 Å²	66.7	35%	0.35	39%	0.39	S	S	.	.			trans	-151.3	156.4	177.5	73.6	0	0	0	0	113.3	R574	R574-S578 WeakPolarHBondContact CG-OG 3.38Å; R574-S578 PolarHBondContact O-N 2.9Å
579	S	50.9	Low	75.6	Confident	120 Å²	120	69.1 Å²	69.1	84%	0.839	40%	0.402	S	S	*	.			trans	-100	1.8	-176.9	57.1	0	0	0	0	115
580	E	55.4	Low	75.5	Confident	144 Å²	144	72.2 Å²	72.2	67%	0.673	42%	0.417	S	S	*	.			trans	-78.7	128.9	176.2	-75.3	-175.2	166.9	0	0	110.2	R574	R574-E580 PolarHBondContact NE-O 2.91Å; R574-E580 PolarHBondContact NH2-O 2.78Å; R574-E580 IonicContact NH2-OE2 3.64Å
581	D	57.8	Low	75.5	Confident	129 Å²	129	72.5 Å²	72.5	69%	0.69	42%	0.418	S	S	*	.			trans	-76.6	131.6	178.5	-75.7	-33.7	0	0	0	111.9	H583	D581-H583 PolarHBondContact O-N 2.95Å
582	V	65.5	Low	75.7	Confident	42 Å²	42	71.2 Å²	71.2	26%	0.255	41%	0.412	S	S	.	.			trans	-82.7	112.3	162.9	-174.6	0	0	0	0	107.4	L571 L584	L571-V582 HydrophobicContact CD2-CB 4.05Å; L571-V582 HydrophobicContact CD2-CG1 4.46Å; L571-V582 HydrophobicContact CD2-CG2 3.93Å; V582-L584 HydrophobicContact CG1-CD2 3.93Å; V582-L584 HydrophobicContact CG1-CG 3.84Å; V582-L584 PolarHBondContact O-N 3.48Å
583	H	75.9	Confident	75.8	Confident	167 Å²	167	75.6 Å²	75.6	77%	0.773	42%	0.42	S	S	*	.			trans	-78.3	86.7	174.9	-64.1	-56.2	0	0	0	110.5	D581	D581-H583 PolarHBondContact O-N 2.95Å
584	L	84.8	Confident	75.9	Confident	17 Å²	17	76.6 Å²	76.6	9%	0.089	43%	0.426	C	S	.	.			trans	-90.7	144.7	166.9	-63.3	-178.6	0	0	0	110.4	M321 I329 L571 V582 V588 L589 I592	M321-L584 HydrophobicContact CE-CD2 3.62Å; M321-L584 HydrophobicContact SD-CD2 4.1Å; I329-L584 HydrophobicContact CD1-CD2 4.5Å; I329-L584 HydrophobicContact CG1-CD2 4.38Å; L571-L584 HydrophobicContact CD1-CD1 3.83Å; V582-L584 HydrophobicContact CG1-CD2 3.93Å; V582-L584 HydrophobicContact CG1-CG 3.84Å; V582-L584 PolarHBondContact O-N 3.48Å; L584-V588 HydrophobicContact CD1-CG1 4.29Å; L584-L589 HydrophobicContact CB-CD1 4.48Å; L584-L589 HydrophobicContact CB-CD2 3.87Å; L584-L589 HydrophobicContact CB-CG 3.86Å; L584-L589 HydrophobicContact CD1-CD2 4.06Å; L584-L589 HydrophobicContact CG-CD2 4.44Å; L584-L589 WeakPolarHBondContact O-CD1 3.49Å; L584-I592 HydrophobicContact CD1-CD1 3.66Å
585	P	87.2	Confident	76.6	Confident	65 Å²	65	75.5 Å²	75.5	42%	0.422	42%	0.422	S	S	.	.			trans	-56.4	143.7	172.3	-23.8	33.8	0	0	0	111.8	M321 P587 V588 L589	M321-P585 HydrophobicContact SD-CG 4.15Å; P585-P587 VanDerWaalsContact C-CD 3.44Å; P585-P587 VanDerWaalsContact C-N 3.33Å; P585-V588 HydrophobicContact CB-CG2 4.3Å; P585-V588 HydrophobicContact CG-CG2 4.39Å; P585-V588 WeakPolarHBondContact O-CB 3.43Å; P585-V588 PolarHBondContact O-N 3.41Å; P585-L589 PolarHBondContact O-N 2.81Å
586	L	88.3	Confident	77.2	Confident	107 Å²	107	73.9 Å²	73.9	56%	0.56	40%	0.404	S	S	*	.	H	α-helix	trans	-51.5	-43.2	-179.5	-176.4	67.8	0	0	0	113.5	V588 L589 E590	L586-V588 VanDerWaalsContact C-N 3.26Å; L586-V588 PolarHBondContact O-N 2.83Å; L586-L589 PolarHBondContact O-N 3.46Å; L586-L589 VanDerWaalsContact O-N 3.14Å; L586-E590 HydrophobicContact CD1-CG 4.44Å; L586-E590 HydrophobicContact CG-CG 4.43Å; L586-E590 WeakPolarHBondContact O-CG 3.14Å; L586-E590 PolarHBondContact O-N 2.94Å
587	P	90.6	Very high	77.2	Confident	65 Å²	65	77.6 Å²	77.6	42%	0.422	41%	0.411	S	S	.	.	H	α-helix	trans	-61.3	-33	177.4	-24.6	35.7	0	0	0	113.7	P317 P585 L591	P317-P587 HydrophobicContact CB-CB 3.84Å; P317-P587 HydrophobicContact CG-CB 3.94Å; P585-P587 VanDerWaalsContact C-CD 3.44Å; P585-P587 VanDerWaalsContact C-N 3.33Å; P587-L591 WeakPolarHBondContact O-CB 3.46Å; P587-L591 PolarHBondContact O-N 3.47Å; P587-L591 VanDerWaalsContact O-N 3.1Å
588	V	90.6	Very high	78	Confident	1 Å²	1	76.5 Å²	76.5	1%	0.006	40%	0.4	C	S	.	.	H	α-helix	trans	-73.3	-39.9	176.7	179.5	0	0	0	0	110.3	P317 L318 M321 I329 L584 P585 L586 L591 I592	P317-V588 HydrophobicContact CB-CG2 4.26Å; L318-V588 HydrophobicContact CD1-CG1 4.17Å; M321-V588 HydrophobicContact SD-CG2 4.17Å; I329-V588 HydrophobicContact CD1-CG1 3.95Å; L584-V588 HydrophobicContact CD1-CG1 4.29Å; P585-V588 HydrophobicContact CB-CG2 4.3Å; P585-V588 HydrophobicContact CG-CG2 4.39Å; P585-V588 WeakPolarHBondContact O-CB 3.43Å; P585-V588 PolarHBondContact O-N 3.41Å; L586-V588 VanDerWaalsContact C-N 3.26Å; L586-V588 PolarHBondContact O-N 2.83Å; V588-L591 PolarHBondContact O-N 2.78Å; V588-I592 HydrophobicContact CG1-CD1 4.02Å; V588-I592 WeakPolarHBondContact O-CB 3.31Å; V588-I592 VanDerWaalsContact O-CG1 3.3Å; V588-I592 WeakPolarHBondContact O-CG1 3.15Å; V588-I592 PolarHBondContact O-N 3.36Å
589	L	89.6	Confident	79.1	Confident	52 Å²	52	77.8 Å²	77.8	27%	0.272	40%	0.403	S	S	.	.	H	α-helix	trans	-64.5	-42.5	175.6	-70.7	172.8	0	0	0	112.3	L584 P585 L586 L591 I592 R593	L584-L589 HydrophobicContact CB-CD1 4.48Å; L584-L589 HydrophobicContact CB-CD2 3.87Å; L584-L589 HydrophobicContact CB-CG 3.86Å; L584-L589 HydrophobicContact CD1-CD2 4.06Å; L584-L589 HydrophobicContact CG-CD2 4.44Å; L584-L589 WeakPolarHBondContact O-CD1 3.49Å; P585-L589 PolarHBondContact O-N 2.81Å; L586-L589 PolarHBondContact O-N 3.46Å; L586-L589 VanDerWaalsContact O-N 3.14Å; L589-L591 VanDerWaalsContact C-N 3.34Å; L589-I592 PolarHBondContact O-N 3.14Å; L589-R593 WeakPolarHBondContact O-CG 3.49Å; L589-R593 PolarHBondContact O-N 3.34Å
590	E	88.8	Confident	80.7	Confident	99 Å²	99	75.5 Å²	75.5	46%	0.463	38%	0.379	S	S	.	.	H	α-helix	trans	-60.9	-44.7	174.5	-73.7	178.3	177.4	0	0	111.4	L586 I592 R593 L594	L586-E590 HydrophobicContact CD1-CG 4.44Å; L586-E590 HydrophobicContact CG-CG 4.43Å; L586-E590 WeakPolarHBondContact O-CG 3.14Å; L586-E590 PolarHBondContact O-N 2.94Å; E590-I592 PolarHBondContact O-N 2.74Å; E590-R593 PolarHBondContact O-N 3.22Å; E590-L594 WeakPolarHBondContact O-CG 3.34Å; E590-L594 PolarHBondContact O-N 3.31Å; E590-L594 VanDerWaalsContact O-N 3.08Å
591	L	90.8	Very high	82.2	Confident	7 Å²	7	71.5 Å²	71.5	4%	0.037	36%	0.361	C	S	.	.	H	α-helix	trans	-60.9	-43.7	175.8	-178	68.4	0	0	0	112.1	L310 Y315 L318 T564 P587 V588 L589 R593 L594 H595	L310-L591 HydrophobicContact CD1-CD1 3.67Å; Y315-L591 HydrophobicContact CD1-CD1 4.05Å; Y315-L591 HydrophobicContact CD1-CD2 3.88Å; Y315-L591 HydrophobicContact CD1-CG 4.43Å; Y315-L591 HydrophobicContact CE1-CD1 4.06Å; Y315-L591 HydrophobicContact CE1-CD2 4.45Å; L318-L591 HydrophobicContact CB-CD2 3.62Å; L318-L591 HydrophobicContact CD2-CD2 4.03Å; L318-L591 HydrophobicContact CG-CD2 4.42Å; T564-L591 HydrophobicContact CG2-CD2 4.41Å; T564-L591 HydrophobicContact CG2-CG 4.11Å; P587-L591 WeakPolarHBondContact O-CB 3.46Å; P587-L591 PolarHBondContact O-N 3.47Å; P587-L591 VanDerWaalsContact O-N 3.1Å; V588-L591 PolarHBondContact O-N 2.78Å; L589-L591 VanDerWaalsContact C-N 3.34Å; L591-R593 VanDerWaalsContact C-N 3.35Å; L591-R593 PolarHBondContact O-N 3.43Å; L591-L594 WeakPolarHBondContact O-CB 3.35Å; L591-L594 PolarHBondContact O-N 3.46Å; L591-H595 PolarHBondContact O-N 3.43Å; L591-H595 PolarHBondContact O-ND1 3.21Å
592	I	90.6	Very high	83.7	Confident	12 Å²	12	67.9 Å²	67.9	6%	0.062	34%	0.341	C	S	.	.	H	α-helix	trans	-61.2	-43.7	176.7	-75.5	168	0	0	0	111.3	T564 I567 G568 L571 L584 V588 L589 E590 L594 H595 H596	T564-I592 HydrophobicContact CG2-CG1 4.07Å; I567-I592 HydrophobicContact CG2-CD1 3.8Å; G568-I592 VanDerWaalsContact CA-CG2 3.43Å; L571-I592 HydrophobicContact CD1-CD1 3.89Å; L571-I592 HydrophobicContact CD1-CG2 4.44Å; L584-I592 HydrophobicContact CD1-CD1 3.66Å; V588-I592 HydrophobicContact CG1-CD1 4.02Å; V588-I592 WeakPolarHBondContact O-CB 3.31Å; V588-I592 VanDerWaalsContact O-CG1 3.3Å; V588-I592 WeakPolarHBondContact O-CG1 3.15Å; V588-I592 PolarHBondContact O-N 3.36Å; L589-I592 PolarHBondContact O-N 3.14Å; E590-I592 PolarHBondContact O-N 2.74Å; I592-L594 VanDerWaalsContact C-N 3.31Å; I592-L594 PolarHBondContact O-N 3.3Å; I592-H595 PolarHBondContact O-N 3.17Å; I592-H595 VanDerWaalsContact O-N 3.08Å; I592-H596 PolarHBondContact O-N 3.39Å; I592-H596 PolarHBondContact O-ND1 3.08Å
593	R	87.2	Confident	84.9	Confident	159 Å²	159	69.6 Å²	69.6	60%	0.6	35%	0.347	S	S	*	.	H	α-helix	trans	-59.3	-43.1	177.5	-74.8	173.9	-178	166.6	1.8	111.3	L589 E590 L591 H595 H596 L597	L589-R593 WeakPolarHBondContact O-CG 3.49Å; L589-R593 PolarHBondContact O-N 3.34Å; E590-R593 PolarHBondContact O-N 3.22Å; L591-R593 VanDerWaalsContact C-N 3.35Å; L591-R593 PolarHBondContact O-N 3.43Å; R593-H595 PolarHBondContact O-N 3.26Å; R593-H595 VanDerWaalsContact O-N 3.11Å; R593-H596 PolarHBondContact O-N 3.35Å; R593-L597 WeakPolarHBondContact O-CG 3.25Å; R593-L597 PolarHBondContact O-N 3.42Å
594	L	86.2	Confident	85.5	Confident	66 Å²	66	62.6 Å²	62.6	35%	0.346	32%	0.316	S	S	.	.	H	α-helix	trans	-57.6	-27.4	177	-70	172.7	0	0	0	113.3	P308 L310 E590 L591 I592	P308-L594 VanDerWaalsContact CG-O 3.24Å; P308-L594 WeakPolarHBondContact CG-O 3.5Å; L310-L594 HydrophobicContact CD1-CD1 4.14Å; E590-L594 WeakPolarHBondContact O-CG 3.34Å; E590-L594 PolarHBondContact O-N 3.31Å; E590-L594 VanDerWaalsContact O-N 3.08Å; L591-L594 WeakPolarHBondContact O-CB 3.35Å; L591-L594 PolarHBondContact O-N 3.46Å; I592-L594 VanDerWaalsContact C-N 3.31Å; I592-L594 PolarHBondContact O-N 3.3Å
595	H	85.4	Confident	85.6	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.005	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-3.7	179.6	-67.4	72.4	0	0	0	114.2	P308 Y315 S561 T564 Y565 L591 I592 R593	P308-H595 PolarHBondContact O-CD2 3.3Å; P308-H595 PolarHBondContact O-NE2 3.22Å; Y315-H595 AromaticContact CE1-CE1 3.47Å; Y315-H595 VanDerWaalsContact CE1-CE1 3.47Å; Y315-H595 WeakPolarHBondContact CE1-CE1 3.18Å; Y315-H595 AromaticContact CE1-NE2 3.4Å; Y315-H595 WeakPolarHBondContact CE1-NE2 3.22Å; Y315-H595 AromaticContact CZ-CE1 3.85Å; Y315-H595 AromaticContact CZ-NE2 3.51Å; Y315-H595 PolarHBondContact OH-CE1 3.23Å; Y315-H595 PolarHBondContact OH-NE2 3.25Å; S561-H595 PolarHBondContact OG-CD2 3.41Å; S561-H595 VanDerWaalsContact OG-CD2 3.29Å; S561-H595 PolarHBondContact OG-NE2 2.84Å; T564-H595 HydrophobicContact CG2-CB 4.24Å; Y565-H595 WeakPolarHBondContact CD2-O 3.4Å; L591-H595 PolarHBondContact O-N 3.43Å; L591-H595 PolarHBondContact O-ND1 3.21Å; I592-H595 PolarHBondContact O-N 3.17Å; I592-H595 VanDerWaalsContact O-N 3.08Å; R593-H595 PolarHBondContact O-N 3.26Å; R593-H595 VanDerWaalsContact O-N 3.11Å
596	H	76.2	Confident	85.5	Confident	63 Å²	63	66.3 Å²	66.3	29%	0.292	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-1.9	-179.5	-72.5	76.4	0	0	0	113.6	Y565 G568 H569 I592 R593	Y565-H596 AromaticContact CD2-CE1 3.73Å; Y565-H596 AromaticContact CD2-NE2 3.62Å; Y565-H596 AromaticContact CE2-CD2 3.87Å; Y565-H596 AromaticContact CE2-NE2 3.65Å; Y565-H596 PolarHBondContact O-CE1 2.77Å; Y565-H596 VanDerWaalsContact O-CE1 3.23Å; Y565-H596 PolarHBondContact O-NE2 2.86Å; G568-H596 VanDerWaalsContact C-CE1 3.47Å; G568-H596 VanDerWaalsContact C-NE2 3.27Å; G568-H596 WeakPolarHBondContact CA-CE1 3.43Å; H569-H596 PolarHBondContact N-CE1 3.41Å; H569-H596 PolarHBondContact N-NE2 3.36Å; I592-H596 PolarHBondContact O-N 3.39Å; I592-H596 PolarHBondContact O-ND1 3.08Å; R593-H596 PolarHBondContact O-N 3.35Å
597	L	61.2	Low	85.2	Confident	163 Å²	163	62.5 Å²	62.5	85%	0.853	31%	0.305	S	S	*	.			trans	-74.7	0	163.7	-65.3	170.6	0	0	0	108.8	R593	R593-L597 WeakPolarHBondContact O-CG 3.25Å; R593-L597 PolarHBondContact O-N 3.42Å

Retrieved 597 of 597 residues in 184.9 ms (Link to these results)

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