A0A077ZFT1_TRITR Loading...

PKD channel domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFT1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 623 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	37.7	Very low	41.4	Very low	105 Å²	105	50.5 Å²	50.5	52%	0.517	27%	0.266	S	S	.	.				0	-50.7	0	-81.2	167.6	77.3	0	0	112.3	S4 R5	M1-S4 PolarHBondContact O-OG 2.9Å; M1-R5 WeakPolarHBondContact O-CG 3.49Å; M1-R5 PolarHBondContact O-N 3.15Å
2	N	41.9	Very low	40.8	Very low	18 Å²	18	53 Å²	53	10%	0.096	29%	0.291	C	S	.	.	H	α-helix	trans	-68.6	-43	-172.3	-61.7	-11.5	0	0	0	115.7	S4 R5 L6 D394 S582	N2-S4 VanDerWaalsContact C-N 3.34Å; N2-S4 PolarHBondContact O-N 3.4Å; N2-R5 PolarHBondContact O-N 2.87Å; N2-L6 PolarHBondContact O-N 2.91Å; N2-D394 PolarHBondContact ND2-OD1 3.28Å; N2-S582 VanDerWaalsContact ND2-CB 3.28Å; N2-S582 WeakPolarHBondContact ND2-CB 3.31Å; N2-S582 PolarHBondContact ND2-OG 3.38Å; N2-S582 WeakPolarHBondContact OD1-CB 3.33Å
3	A	42.7	Very low	40.4	Very low	31 Å²	31	60.1 Å²	60.1	26%	0.256	33%	0.328	S	S	.	.	H	α-helix	trans	-67.9	-28.6	-175.7	0	0	0	0	0	114.5	R7 F61	A3-R7 WeakPolarHBondContact O-CG 3.04Å; A3-R7 PolarHBondContact O-NE 3.29Å; A3-F61 HydrophobicContact CB-CD1 3.62Å; A3-F61 HydrophobicContact CB-CE1 4.19Å
4	S	44.2	Very low	40	Very low	22 Å²	22	67.6 Å²	67.6	15%	0.154	36%	0.36	C	S	.	.	H	α-helix	trans	-83.3	-29	174.9	50.3	0	0	0	0	112.6	M1 N2 R7 N462	M1-S4 PolarHBondContact O-OG 2.9Å; N2-S4 VanDerWaalsContact C-N 3.34Å; N2-S4 PolarHBondContact O-N 3.4Å; S4-R7 PolarHBondContact O-N 3.43Å; S4-N462 WeakPolarHBondContact CB-ND2 3.44Å
5	R	44.2	Very low	39.3	Very low	35 Å²	35	74.5 Å²	74.5	13%	0.132	40%	0.397	C	S	.	.	H	α-helix	trans	-68.3	-37.7	173.2	-77.9	-179.4	176.5	179.7	-3.9	111.6	M1 N2 R7 R8 S579 D581 L585	M1-R5 WeakPolarHBondContact O-CG 3.49Å; M1-R5 PolarHBondContact O-N 3.15Å; N2-R5 PolarHBondContact O-N 2.87Å; R5-R7 PolarHBondContact O-N 3.17Å; R5-R8 PolarHBondContact O-N 3.13Å; R5-S579 PolarHBondContact NH1-O 2.76Å; R5-S579 PolarHBondContact NH2-OG 3.2Å; R5-D581 IonicContact NH1-OD2 3.77Å; R5-L585 HydrophobicContact CB-CD1 4.42Å; R5-L585 HydrophobicContact CB-CD2 4.11Å
6	L	43.7	Very low	38.7	Very low	11 Å²	11	74.7 Å²	74.7	6%	0.058	42%	0.422	C	S	.	.	H	α-helix	trans	-60.7	-26.4	173.4	-97.2	145	0	0	0	114.9	N2 F61 L585 I588	N2-L6 PolarHBondContact O-N 2.91Å; L6-F61 HydrophobicContact CB-CB 4.36Å; L6-F61 HydrophobicContact CD1-CB 3.99Å; L6-F61 HydrophobicContact CD1-CD2 3.89Å; L6-F61 HydrophobicContact CD1-CG 4.02Å; L6-L585 HydrophobicContact CD1-CD1 3.94Å; L6-L585 HydrophobicContact CG-CD1 3.74Å; L6-I588 HydrophobicContact CD1-CD1 3.7Å; L6-I588 HydrophobicContact CD2-CB 4.26Å; L6-I588 HydrophobicContact CD2-CD1 4.24Å; L6-I588 HydrophobicContact CD2-CG2 3.48Å; L6-I588 VanDerWaalsContact CD2-CG2 3.48Å
7	R	49.1	Very low	38.2	Very low	54 Å²	54	84.5 Å²	84.5	20%	0.204	45%	0.451	C	S	.	.	H	α-helix	trans	-76.6	-27.2	-176.7	-67.3	164.8	-164	-173	-0.8	114.2	A3 S4 R5 T10 N63 G456	A3-R7 WeakPolarHBondContact O-CG 3.04Å; A3-R7 PolarHBondContact O-NE 3.29Å; S4-R7 PolarHBondContact O-N 3.43Å; R5-R7 PolarHBondContact O-N 3.17Å; R7-T10 PolarHBondContact O-OG1 2.91Å; R7-N63 WeakPolarHBondContact CD-ND2 3.25Å; R7-N63 WeakPolarHBondContact CD-OD1 3.19Å; R7-N63 PolarHBondContact NE-OD1 3.47Å; R7-N63 PolarHBondContact NH1-OD1 2.88Å; R7-N63 PolarHBondContact NH2-OD1 3.39Å; R7-G456 PolarHBondContact NH1-O 2.65Å
8	R	40.4	Very low	37.6	Very low	90 Å²	90	87.2 Å²	87.2	34%	0.34	47%	0.471	S	S	.	.	H	α-helix	trans	-86.4	-27.4	-179.4	-91.1	-168.9	-76.1	164.7	10.1	113.3	R5 T10 S11 S12 H575	R5-R8 PolarHBondContact O-N 3.13Å; R8-T10 PolarHBondContact O-N 3.5Å; R8-T10 VanDerWaalsContact O-N 3.09Å; R8-S11 PolarHBondContact O-N 3.11Å; R8-S12 PolarHBondContact O-OG 3.06Å; R8-H575 PolarHBondContact NH1-CD2 3Å; R8-H575 VanDerWaalsContact NH1-CD2 3.25Å; R8-H575 PolarHBondContact NH1-NE2 3.3Å; R8-H575 PolarHBondContact NH1-O 3.14Å; R8-H575 PolarHBondContact NH2-CD2 2.8Å; R8-H575 PolarHBondContact NH2-CE1 3.13Å; R8-H575 PolarHBondContact NH2-ND1 2.87Å; R8-H575 PolarHBondContact NH2-NE2 3.01Å; R8-H575 PolarHBondContact NH2-O 2.85Å
9	L	38	Very low	37.3	Very low	67 Å²	67	92.2 Å²	92.2	35%	0.351	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-4.5	171.7	-69.2	167.7	0	0	0	113.2
10	T	38.7	Very low	36.9	Very low	44 Å²	44	92.9 Å²	92.9	27%	0.27	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-3.9	178.1	47.1	0	0	0	0	113.9	R7 R8 L62	R7-T10 PolarHBondContact O-OG1 2.91Å; R8-T10 PolarHBondContact O-N 3.5Å; R8-T10 VanDerWaalsContact O-N 3.09Å; T10-L62 HydrophobicContact CG2-CD2 4.07Å
11	S	34.6	Very low	36.6	Very low	79 Å²	79	97.1 Å²	97.1	55%	0.552	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120	0.8	-173.2	73.7	0	0	0	0	114.5	R8	R8-S11 PolarHBondContact O-N 3.11Å
12	S	35	Very low	36.5	Very low	80 Å²	80	97.5 Å²	97.5	56%	0.559	53%	0.53	S	S	*	.	S	Bend	trans	-92.8	3	-173.1	-51.1	0	0	0	0	114.4	R8	R8-S12 PolarHBondContact O-OG 3.06Å
13	D	35.7	Very low	35.8	Very low	145 Å²	145	105.3 Å²	105.3	78%	0.775	57%	0.566	S	S	*	*	S	Bend	trans	-101.6	12.9	-170	-66.7	-29.3	0	0	0	115
14	E	34.2	Very low	35.4	Very low	165 Å²	165	113.5 Å²	113.5	77%	0.771	60%	0.599	S	S	*	*	S	Bend	trans	-114.9	5.6	-176.1	-84.7	-162.1	152.3	0	0	117.1
15	D	28.8	Very low	34.7	Very low	171 Å²	171	117.8 Å²	117.8	91%	0.914	63%	0.625	S	S	*	*			trans	-133.6	96.5	178.3	-81.1	-41.2	0	0	0	112.4
16	G	31.1	Very low	34.1	Very low	78 Å²	78	123 Å²	123	80%	0.804	65%	0.653	S	S	*	*			trans	166.1	102.3	166.8	0	0	0	0	0	118.1
17	R	29.7	Very low	33.6	Very low	241 Å²	241	128.2 Å²	128.2	91%	0.909	69%	0.686	S	S	*	*			trans	84.5	98.2	149.7	-90.3	175.1	170	156.6	-2.9	120.9
18	T	26.4	Very low	32.8	Very low	133 Å²	133	130.5 Å²	130.5	82%	0.816	71%	0.711	S	S	*	*			trans	-50.9	130.2	136.1	13.1	0	0	0	0	113.2
19	Q	31.7	Very low	32.4	Very low	183 Å²	183	132 Å²	132	86%	0.855	73%	0.734	S	S	*	*			trans	-176.8	126.6	134.4	-100.7	167.8	3.5	0	0	112.2
20	S	29.5	Very low	32.2	Very low	105 Å²	105	135.8 Å²	135.8	73%	0.734	76%	0.755	S	S	*	*			trans	-42.1	158	161.9	45.4	0	0	0	0	114.5
21	E	32	Very low	31.9	Very low	182 Å²	182	144.5 Å²	144.5	85%	0.85	78%	0.783	S	S	*	*			cis	-179.7	-173	32.1	-129.2	177.1	-167.5	0	0	106.6
22	P	35	Very low	31.9	Very low	113 Å²	113	147.9 Å²	147.9	73%	0.734	79%	0.794	S	S	*	*				-125.4	-170.7	-75.3	33.8	-10.6	0	0	0	115.1
23	E	28	Very low	31.9	Very low	183 Å²	183	149.3 Å²	149.3	86%	0.855	80%	0.8	S	S	*	*			trans	-40.2	146.3	-177.1	-66.3	170.9	129.4	0	0	120.5
24	E	33.2	Very low	31.8	Very low	202 Å²	202	149.4 Å²	149.4	94%	0.944	80%	0.8	S	S	*	*			trans	-149.6	154.9	142	-115	-178	-166.3	0	0	111.5
25	T	29.2	Very low	31.6	Very low	112 Å²	112	148.4 Å²	148.4	69%	0.687	80%	0.8	S	S	*	*			trans	-125.5	159.5	-142.7	-37.4	0	0	0	0	111.7
26	I	31.2	Very low	32	Very low	144 Å²	144	147.6 Å²	147.6	74%	0.738	79%	0.794	S	S	*	*			trans	71.1	131	157.3	-21.8	-178.3	0	0	0	114.8
27	T	33.7	Very low	31.9	Very low	122 Å²	122	149.4 Å²	149.4	75%	0.748	79%	0.794	S	S	*	*				-178.2	151.1	51.7	-31.3	0	0	0	0	111.4
28	S	31.9	Very low	32.2	Very low	102 Å²	102	143.9 Å²	143.9	71%	0.713	79%	0.787	S	S	*	*			trans	-48.5	150.2	173.7	54.3	0	0	0	0	118.3
29	S	34	Very low	32.7	Very low	120 Å²	120	143.1 Å²	143.1	84%	0.839	78%	0.782	S	S	*	*				-171.6	149.8	114.5	-130	0	0	0	0	114.7
30	N	32.3	Very low	32.9	Very low	148 Å²	148	140.1 Å²	140.1	79%	0.791	78%	0.779	S	S	*	*			trans	-75.6	174.7	-170.1	-74.2	-44.7	0	0	0	116.4
31	R	33.4	Very low	33.2	Very low	227 Å²	227	140.4 Å²	140.4	86%	0.857	77%	0.772	S	S	*	*			trans	100.7	135.8	151.3	-61	-177.7	-177.1	176.2	0.8	113.8
32	L	35	Very low	33.9	Very low	150 Å²	150	136.2 Å²	136.2	79%	0.785	76%	0.763	S	S	*	*			cis	-162.3	154.8	27.5	-124.5	140.9	0	0	0	109.5
33	T	33.1	Very low	34.7	Very low	109 Å²	109	135.2 Å²	135.2	67%	0.669	76%	0.755	S	S	*	*			trans	-63.2	155.9	-179.8	47.2	0	0	0	0	115.1
34	N	34.8	Very low	36.1	Very low	147 Å²	147	131.4 Å²	131.4	79%	0.786	74%	0.74	S	S	*	*				-179.7	146.7	116.6	-87.2	-3.5	0	0	0	113.8
35	D	30.7	Very low	37.5	Very low	145 Å²	145	125.5 Å²	125.5	78%	0.775	72%	0.718	S	S	*	*			trans	-47.7	156	-175.5	-59.5	-62.7	0	0	0	117.8
36	I	36.1	Very low	39.2	Very low	153 Å²	153	126.5 Å²	126.5	79%	0.785	71%	0.709	S	S	*	*				-177.1	129.5	124.4	-86	147.8	0	0	0	109.8
37	S	29.8	Very low	41.2	Very low	116 Å²	116	124.5 Å²	124.5	81%	0.811	70%	0.7	S	S	*	*			trans	-54.1	128.8	172.2	50.8	0	0	0	0	113.8
38	V	35.6	Very low	43.4	Very low	125 Å²	125	123.2 Å²	123.2	76%	0.758	69%	0.689	S	S	*	*			trans	-126.6	122.4	173.6	-175.8	0	0	0	0	110.9
39	V	36.9	Very low	45.7	Very low	117 Å²	117	126.6 Å²	126.6	71%	0.709	69%	0.686	S	S	*	*			trans	-50.8	137.8	169.7	178.3	0	0	0	0	110.3	N41	V39-N41 PolarHBondContact O-N 3.35Å
40	P	35.3	Very low	48	Very low	121 Å²	121	121.3 Å²	121.3	79%	0.786	65%	0.649	S	S	*	*			trans	-65.1	107.8	177.3	26.8	-32.1	0	0	0	109.4
41	N	36	Very low	50.4	Low	110 Å²	110	116.4 Å²	116.4	59%	0.588	62%	0.622	S	S	*	*			trans	-68.3	134.9	-179.8	-123.1	-9.2	0	0	0	109.1	V39 T43 D44	V39-N41 PolarHBondContact O-N 3.35Å; N41-T43 PolarHBondContact O-N 3.37Å; N41-D44 PolarHBondContact O-N 3.16Å; N41-D44 VanDerWaalsContact O-N 3.15Å
42	S	47.3	Very low	52.9	Low	94 Å²	94	108.8 Å²	108.8	66%	0.657	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	-12.5	-179.3	52.7	0	0	0	0	115.3	T45	S42-T45 PolarHBondContact O-OG1 3.17Å
43	T	52.1	Low	55.3	Low	92 Å²	92	102.2 Å²	102.2	56%	0.564	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-35.7	177.1	45.1	0	0	0	0	112.9	N41 T45 R46 D47	N41-T43 PolarHBondContact O-N 3.37Å; T43-T45 PolarHBondContact O-N 2.87Å; T43-R46 PolarHBondContact O-N 3.47Å; T43-R46 VanDerWaalsContact O-N 3.14Å; T43-D47 PolarHBondContact O-N 3.14Å
44	D	57.3	Low	57.7	Low	104 Å²	104	98.5 Å²	98.5	56%	0.556	54%	0.541	S	S	*	.	H	α-helix	trans	-61.6	-45.5	-177.4	-152.7	18.6	0	0	0	110.9	N41 R46 D47 D48	N41-D44 PolarHBondContact O-N 3.16Å; N41-D44 VanDerWaalsContact O-N 3.15Å; D44-R46 PolarHBondContact O-N 3.32Å; D44-R46 VanDerWaalsContact O-N 3.13Å; D44-D47 PolarHBondContact O-N 2.82Å; D44-D48 PolarHBondContact O-N 3.32Å; D44-D48 VanDerWaalsContact O-N 3.17Å
45	T	62.8	Low	60	Low	77 Å²	77	94.5 Å²	94.5	47%	0.472	52%	0.517	S	S	.	.	H	α-helix	trans	-66.1	-21	179	69.8	0	0	0	0	114.7	S42 T43 R49	S42-T45 PolarHBondContact O-OG1 3.17Å; T43-T45 PolarHBondContact O-N 2.87Å; T45-R49 WeakPolarHBondContact O-CD 3.22Å; T45-R49 VanDerWaalsContact O-CG 3.23Å; T45-R49 WeakPolarHBondContact O-CG 3.27Å
46	R	64.7	Low	62.6	Low	133 Å²	133	92 Å²	92	50%	0.502	50%	0.497	S	S	.	.	H	α-helix	trans	-84.7	-37	-178.5	-173.1	175.1	175.5	-175.1	-7.4	110.6	T43 D44 R49 A50 T385	T43-R46 PolarHBondContact O-N 3.47Å; T43-R46 VanDerWaalsContact O-N 3.14Å; D44-R46 PolarHBondContact O-N 3.32Å; D44-R46 VanDerWaalsContact O-N 3.13Å; R46-R49 PolarHBondContact O-N 2.86Å; R46-A50 PolarHBondContact O-N 3.01Å; R46-A50 VanDerWaalsContact O-N 3.15Å; R46-T385 VanDerWaalsContact NH2-CA 3.32Å; R46-T385 PolarHBondContact NH2-O 2.93Å
47	D	72.2	Confident	65	Low	102 Å²	102	84.7 Å²	84.7	55%	0.545	46%	0.459	S	S	.	.	H	α-helix	trans	-70.5	-44.5	177.8	-143.6	12.6	0	0	0	110.7	T43 D44 R49 A50 E51	T43-D47 PolarHBondContact O-N 3.14Å; D44-D47 PolarHBondContact O-N 2.82Å; D47-R49 VanDerWaalsContact C-N 3.26Å; D47-R49 PolarHBondContact O-N 3.39Å; D47-R49 VanDerWaalsContact O-N 3.17Å; D47-A50 WeakPolarHBondContact O-CA 3.21Å; D47-A50 VanDerWaalsContact O-CB 3.3Å; D47-A50 WeakPolarHBondContact O-CB 3.42Å; D47-A50 PolarHBondContact O-N 2.94Å; D47-E51 PolarHBondContact O-N 3.15Å
48	D	79.8	Confident	67.5	Low	96 Å²	96	83.7 Å²	83.7	51%	0.513	44%	0.438	S	S	.	.	H	α-helix	trans	-52	-43.2	172	-74.1	-20.7	0	0	0	112.9	D44 V52	D44-D48 PolarHBondContact O-N 3.32Å; D44-D48 VanDerWaalsContact O-N 3.17Å; D48-V52 WeakPolarHBondContact O-CB 3.49Å; D48-V52 WeakPolarHBondContact O-CG2 3.41Å; D48-V52 PolarHBondContact O-N 3.12Å
49	R	81.2	Confident	69.7	Low	172 Å²	172	79.1 Å²	79.1	65%	0.649	41%	0.408	S	S	*	.	H	α-helix	trans	-69.3	-35.8	178.8	-74.6	175.4	-173.1	-167.7	6.3	112	T45 R46 D47 L53 F381	T45-R49 WeakPolarHBondContact O-CD 3.22Å; T45-R49 VanDerWaalsContact O-CG 3.23Å; T45-R49 WeakPolarHBondContact O-CG 3.27Å; R46-R49 PolarHBondContact O-N 2.86Å; D47-R49 VanDerWaalsContact C-N 3.26Å; D47-R49 PolarHBondContact O-N 3.39Å; D47-R49 VanDerWaalsContact O-N 3.17Å; R49-L53 WeakPolarHBondContact O-CB 3.3Å; R49-L53 PolarHBondContact O-N 3.37Å; R49-L53 VanDerWaalsContact O-N 3.13Å; R49-F381 HydrophobicContact CB-CE2 4.21Å
50	A	81.9	Confident	72	Confident	9 Å²	9	75.9 Å²	75.9	7%	0.074	38%	0.384	C	S	.	.	H	α-helix	trans	-64.5	-48.5	176.8	0	0	0	0	0	110.2	R46 D47 L53 K54 F381	R46-A50 PolarHBondContact O-N 3.01Å; R46-A50 VanDerWaalsContact O-N 3.15Å; D47-A50 WeakPolarHBondContact O-CA 3.21Å; D47-A50 VanDerWaalsContact O-CB 3.3Å; D47-A50 WeakPolarHBondContact O-CB 3.42Å; D47-A50 PolarHBondContact O-N 2.94Å; A50-L53 PolarHBondContact O-N 3.12Å; A50-K54 WeakPolarHBondContact O-CG 3.42Å; A50-K54 PolarHBondContact O-N 2.83Å; A50-F381 VanDerWaalsContact CA-CZ 3.5Å; A50-F381 HydrophobicContact CB-CE1 4.2Å; A50-F381 HydrophobicContact CB-CE2 4.46Å; A50-F381 HydrophobicContact CB-CZ 3.56Å
51	E	83	Confident	74.2	Confident	45 Å²	45	70.7 Å²	70.7	21%	0.21	35%	0.349	C	S	.	.	H	α-helix	trans	-64.8	-45.9	-179.3	-68.6	-44.5	115.3	0	0	112.2	D47 L53 K54 Q55 L591	D47-E51 PolarHBondContact O-N 3.15Å; E51-L53 VanDerWaalsContact C-N 3.25Å; E51-L53 PolarHBondContact O-N 2.86Å; E51-K54 PolarHBondContact O-N 3.34Å; E51-K54 WeakPolarHBondContact OE1-CD 3.22Å; E51-K54 IonicContact OE1-NZ 3.65Å; E51-K54 PolarHBondContact OE1-NZ 3.43Å; E51-Q55 WeakPolarHBondContact O-CB 3.07Å; E51-Q55 WeakPolarHBondContact O-CG 3.47Å; E51-Q55 PolarHBondContact O-N 2.92Å; E51-L591 WeakPolarHBondContact OE1-CD1 3.23Å
52	V	85.4	Confident	76.3	Confident	67 Å²	67	66.1 Å²	66.1	41%	0.406	33%	0.325	S	S	.	.	H	α-helix	trans	-59.4	-38	175.3	171.7	0	0	0	0	111.6	D48 R56	D48-V52 WeakPolarHBondContact O-CB 3.49Å; D48-V52 WeakPolarHBondContact O-CG2 3.41Å; D48-V52 PolarHBondContact O-N 3.12Å; V52-R56 WeakPolarHBondContact O-CB 3.32Å; V52-R56 WeakPolarHBondContact O-CD 3.22Å; V52-R56 WeakPolarHBondContact O-CG 3.19Å; V52-R56 PolarHBondContact O-N 2.87Å; V52-R56 VanDerWaalsContact O-N 3.12Å
53	L	86.4	Confident	77.9	Confident	13 Å²	13	62 Å²	62	7%	0.068	30%	0.295	C	S	.	.	H	α-helix	trans	-71.3	-42.2	177.3	-176.4	65.6	0	0	0	112.1	R49 A50 E51 R56 L57 L374 F381	R49-L53 WeakPolarHBondContact O-CB 3.3Å; R49-L53 PolarHBondContact O-N 3.37Å; R49-L53 VanDerWaalsContact O-N 3.13Å; A50-L53 PolarHBondContact O-N 3.12Å; E51-L53 VanDerWaalsContact C-N 3.25Å; E51-L53 PolarHBondContact O-N 2.86Å; L53-R56 PolarHBondContact O-N 3.18Å; L53-L57 HydrophobicContact CG-CD1 4.15Å; L53-L57 WeakPolarHBondContact O-CB 3.44Å; L53-L57 WeakPolarHBondContact O-CG 3.43Å; L53-L57 PolarHBondContact O-N 2.91Å; L53-L374 HydrophobicContact CD1-CD1 4.2Å; L53-F381 HydrophobicContact CD2-CB 3.54Å; L53-F381 HydrophobicContact CD2-CD1 3.44Å; L53-F381 VanDerWaalsContact CD2-CD1 3.44Å; L53-F381 HydrophobicContact CD2-CD2 4.24Å; L53-F381 HydrophobicContact CD2-CE1 4.22Å; L53-F381 HydrophobicContact CD2-CG 3.46Å; L53-F381 VanDerWaalsContact CD2-CG 3.46Å
54	K	82.9	Confident	79.3	Confident	31 Å²	31	59 Å²	59	14%	0.135	28%	0.278	C	S	.	.	H	α-helix	trans	-60.7	-47.1	175.8	-74.6	174	-168.2	158.3	0	111.3	A50 E51 R56 L57 R58 F587 L591	A50-K54 WeakPolarHBondContact O-CG 3.42Å; A50-K54 PolarHBondContact O-N 2.83Å; E51-K54 PolarHBondContact O-N 3.34Å; E51-K54 WeakPolarHBondContact OE1-CD 3.22Å; E51-K54 IonicContact OE1-NZ 3.65Å; E51-K54 PolarHBondContact OE1-NZ 3.43Å; K54-R56 VanDerWaalsContact C-N 3.32Å; K54-R56 PolarHBondContact O-N 2.88Å; K54-L57 WeakPolarHBondContact O-CB 3.45Å; K54-L57 PolarHBondContact O-N 3.32Å; K54-L57 VanDerWaalsContact O-N 3.11Å; K54-R58 PolarHBondContact O-N 2.84Å; K54-F587 HydrophobicContact CB-CE1 4.42Å; K54-F587 HydrophobicContact CD-CE1 4.33Å; K54-F587 HydrophobicContact CD-CE2 4.42Å; K54-F587 HydrophobicContact CD-CZ 4.13Å; K54-F587 VanDerWaalsContact CE-CE2 3.43Å; K54-F587 HydrophobicContact CG-CD1 3.9Å; K54-F587 HydrophobicContact CG-CE1 3.3Å; K54-F587 HydrophobicContact CG-CE2 4.19Å; K54-F587 HydrophobicContact CG-CZ 3.48Å; K54-F587 VanDerWaalsContact CG-CZ 3.48Å; K54-L591 HydrophobicContact CD-CD1 3.86Å
55	Q	83.1	Confident	80.3	Confident	63 Å²	63	57.7 Å²	57.7	29%	0.294	27%	0.27	S	S	.	.	H	α-helix	trans	-59.3	-43.2	176.1	-71.3	-179.1	0.2	0	0	111.5	E51 L57 R58 F59	E51-Q55 WeakPolarHBondContact O-CB 3.07Å; E51-Q55 WeakPolarHBondContact O-CG 3.47Å; E51-Q55 PolarHBondContact O-N 2.92Å; Q55-L57 VanDerWaalsContact C-N 3.34Å; Q55-L57 PolarHBondContact O-N 3.25Å; Q55-R58 PolarHBondContact O-N 3.22Å; Q55-F59 VanDerWaalsContact O-CB 3.3Å; Q55-F59 WeakPolarHBondContact O-CB 3.37Å; Q55-F59 PolarHBondContact O-N 3.13Å
56	R	85.7	Confident	81.2	Confident	91 Å²	91	56.2 Å²	56.2	34%	0.343	26%	0.258	S	S	.	.	H	α-helix	trans	-62.2	-39.9	174.5	-75.5	173	-177.1	-165	3.7	112.6	V52 L53 K54 F60 L374	V52-R56 WeakPolarHBondContact O-CB 3.32Å; V52-R56 WeakPolarHBondContact O-CD 3.22Å; V52-R56 WeakPolarHBondContact O-CG 3.19Å; V52-R56 PolarHBondContact O-N 2.87Å; V52-R56 VanDerWaalsContact O-N 3.12Å; L53-R56 PolarHBondContact O-N 3.18Å; K54-R56 VanDerWaalsContact C-N 3.32Å; K54-R56 PolarHBondContact O-N 2.88Å; R56-F60 VanDerWaalsContact O-CB 3.3Å; R56-F60 WeakPolarHBondContact O-CB 3.42Å; R56-F60 PolarHBondContact O-N 2.87Å; R56-L374 HydrophobicContact CB-CD1 4.27Å
57	L	84.9	Confident	82.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-67.5	-47.6	177	-75.8	167.6	0	0	0	111.8	L53 K54 Q55 F59 F60 F61 L374 T378 F398 L584 F587 I588	L53-L57 HydrophobicContact CG-CD1 4.15Å; L53-L57 WeakPolarHBondContact O-CB 3.44Å; L53-L57 WeakPolarHBondContact O-CG 3.43Å; L53-L57 PolarHBondContact O-N 2.91Å; K54-L57 WeakPolarHBondContact O-CB 3.45Å; K54-L57 PolarHBondContact O-N 3.32Å; K54-L57 VanDerWaalsContact O-N 3.11Å; Q55-L57 VanDerWaalsContact C-N 3.34Å; Q55-L57 PolarHBondContact O-N 3.25Å; L57-F59 VanDerWaalsContact C-N 3.33Å; L57-F59 PolarHBondContact O-N 3.36Å; L57-F60 WeakPolarHBondContact O-CB 3.22Å; L57-F60 PolarHBondContact O-N 2.97Å; L57-F60 VanDerWaalsContact O-N 3.12Å; L57-F61 HydrophobicContact CD2-CE2 4.26Å; L57-F61 VanDerWaalsContact O-CD2 3.23Å; L57-F61 WeakPolarHBondContact O-CD2 3.42Å; L57-F61 PolarHBondContact O-N 2.68Å; L57-F61 VanDerWaalsContact O-N 3.13Å; L57-L374 HydrophobicContact CD2-CD1 4.36Å; L57-L374 HydrophobicContact CD2-CD2 4.13Å; L57-L374 HydrophobicContact CD2-CG 4.17Å; L57-T378 HydrophobicContact CD1-CG2 4.01Å; L57-T378 HydrophobicContact CD2-CG2 4.48Å; L57-F398 HydrophobicContact CD2-CE1 3.55Å; L57-F398 HydrophobicContact CD2-CZ 3.68Å; L57-L584 HydrophobicContact CD1-CD1 4.29Å; L57-L584 HydrophobicContact CD2-CD1 4.45Å; L57-F587 HydrophobicContact CD1-CD1 4.05Å; L57-F587 HydrophobicContact CD1-CE1 3.95Å; L57-I588 HydrophobicContact CB-CD1 4.06Å; L57-I588 HydrophobicContact CB-CG1 4.15Å
58	R	82.1	Confident	82.7	Confident	96 Å²	96	53.4 Å²	53.4	36%	0.362	24%	0.241	S	C	.	.	H	α-helix	trans	-56.3	-50.6	174.5	-170.4	176.7	-177.8	-178.9	2	109.5	K54 Q55 F60 F61 L62 I588	K54-R58 PolarHBondContact O-N 2.84Å; Q55-R58 PolarHBondContact O-N 3.22Å; R58-F60 VanDerWaalsContact C-N 3.29Å; R58-F60 PolarHBondContact O-N 2.83Å; R58-F61 PolarHBondContact O-N 2.81Å; R58-L62 WeakPolarHBondContact O-CG 3.28Å; R58-L62 PolarHBondContact O-N 3.47Å; R58-I588 HydrophobicContact CB-CG2 4.26Å
59	F	82.4	Confident	82.9	Confident	28 Å²	28	57.6 Å²	57.6	12%	0.123	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-35.9	177.5	-173.1	-95.1	0	0	0	113.1	Q55 L57 L62 K67 R71	Q55-F59 VanDerWaalsContact O-CB 3.3Å; Q55-F59 WeakPolarHBondContact O-CB 3.37Å; Q55-F59 PolarHBondContact O-N 3.13Å; L57-F59 VanDerWaalsContact C-N 3.33Å; L57-F59 PolarHBondContact O-N 3.36Å; F59-L62 HydrophobicContact CD2-CD1 4.25Å; F59-K67 HydrophobicContact CD2-CG 4.39Å; F59-K67 HydrophobicContact CE1-CD 3.89Å; F59-K67 HydrophobicContact CE1-CG 4.42Å; F59-K67 HydrophobicContact CE2-CB 4.02Å; F59-K67 HydrophobicContact CE2-CD 4.13Å; F59-K67 HydrophobicContact CE2-CG 3.74Å; F59-K67 HydrophobicContact CZ-CB 3.98Å; F59-K67 HydrophobicContact CZ-CD 3.62Å; F59-K67 HydrophobicContact CZ-CG 3.73Å; F59-K67 WeakPolarHBondContact O-CE 3.08Å; F59-K67 PolarHBondContact O-NZ 3.44Å; F59-R71 HydrophobicContact CE2-CG 4.06Å; F59-R71 VanDerWaalsContact CE2-NE 3.28Å; F59-R71 HydrophobicContact CZ-CG 4.37Å; F59-R71 VanDerWaalsContact CZ-NH2 3.34Å
60	F	85.3	Confident	82.9	Confident	50 Å²	50	52.7 Å²	52.7	22%	0.219	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-43.6	178	178.7	-99.6	0	0	0	112.2	R56 L57 R58 K67 A371 L374 F398	R56-F60 VanDerWaalsContact O-CB 3.3Å; R56-F60 WeakPolarHBondContact O-CB 3.42Å; R56-F60 PolarHBondContact O-N 2.87Å; L57-F60 WeakPolarHBondContact O-CB 3.22Å; L57-F60 PolarHBondContact O-N 2.97Å; L57-F60 VanDerWaalsContact O-N 3.12Å; R58-F60 VanDerWaalsContact C-N 3.29Å; R58-F60 PolarHBondContact O-N 2.83Å; F60-K67 PolarHBondContact O-NZ 3.21Å; F60-A371 HydrophobicContact CE2-CB 3.7Å; F60-A371 HydrophobicContact CZ-CB 3.58Å; F60-L374 HydrophobicContact CB-CD2 3.55Å; F60-L374 HydrophobicContact CD1-CD2 4.04Å; F60-L374 HydrophobicContact CD2-CD2 3.68Å; F60-L374 HydrophobicContact CE2-CD2 4.38Å; F60-L374 HydrophobicContact CG-CD2 3.48Å; F60-L374 VanDerWaalsContact CG-CD2 3.48Å; F60-F398 HydrophobicContact CE1-CD1 4.17Å
61	F	82.4	Confident	82.8	Confident	12 Å²	12	56.2 Å²	56.2	5%	0.053	25%	0.246	C	C	.	.	H	α-helix	trans	-84.2	-11.7	-175.1	-71.7	-65.9	0	0	0	115.7	A3 L6 L57 R58 F398 L584 I588	A3-F61 HydrophobicContact CB-CD1 3.62Å; A3-F61 HydrophobicContact CB-CE1 4.19Å; L6-F61 HydrophobicContact CB-CB 4.36Å; L6-F61 HydrophobicContact CD1-CB 3.99Å; L6-F61 HydrophobicContact CD1-CD2 3.89Å; L6-F61 HydrophobicContact CD1-CG 4.02Å; L57-F61 HydrophobicContact CD2-CE2 4.26Å; L57-F61 VanDerWaalsContact O-CD2 3.23Å; L57-F61 WeakPolarHBondContact O-CD2 3.42Å; L57-F61 PolarHBondContact O-N 2.68Å; L57-F61 VanDerWaalsContact O-N 3.13Å; R58-F61 PolarHBondContact O-N 2.81Å; F61-F398 HydrophobicContact CE2-CE1 4.47Å; F61-F398 HydrophobicContact CZ-CD1 4.44Å; F61-F398 HydrophobicContact CZ-CE1 4.33Å; F61-L584 HydrophobicContact CE2-CD2 4.05Å; F61-L584 HydrophobicContact CZ-CD2 4.08Å; F61-I588 HydrophobicContact CD2-CD1 4.3Å; F61-I588 HydrophobicContact CE2-CD1 4.45Å
62	L	80.1	Confident	82.6	Confident	13 Å²	13	64.9 Å²	64.9	7%	0.068	28%	0.277	C	S	.	.	S	Bend	trans	-59	151.4	172.4	-74.4	169.4	0	0	0	112.7	T10 R58 F59 E66 K67 I70	T10-L62 HydrophobicContact CG2-CD2 4.07Å; R58-L62 WeakPolarHBondContact O-CG 3.28Å; R58-L62 PolarHBondContact O-N 3.47Å; F59-L62 HydrophobicContact CD2-CD1 4.25Å; L62-E66 HydrophobicContact CB-CB 4.35Å; L62-E66 HydrophobicContact CD2-CB 4.09Å; L62-E66 WeakPolarHBondContact CD2-OE2 3.5Å; L62-K67 HydrophobicContact CB-CG 3.77Å; L62-K67 WeakPolarHBondContact O-CE 3.47Å; L62-I70 HydrophobicContact CD1-CD1 3.52Å
63	N	79.8	Confident	82.4	Confident	7 Å²	7	68.7 Å²	68.7	4%	0.037	28%	0.284	C	S	.	.			trans	-68	152	171.9	-71.7	-41.1	0	0	0	111.3	R7 I65 E66 K67 F457	R7-N63 WeakPolarHBondContact CD-ND2 3.25Å; R7-N63 WeakPolarHBondContact CD-OD1 3.19Å; R7-N63 PolarHBondContact NE-OD1 3.47Å; R7-N63 PolarHBondContact NH1-OD1 2.88Å; R7-N63 PolarHBondContact NH2-OD1 3.39Å; N63-I65 PolarHBondContact O-N 3.46Å; N63-E66 HydrophobicContact CB-CB 4.4Å; N63-E66 HydrophobicContact CB-CG 4.18Å; N63-E66 PolarHBondContact N-OE2 3.29Å; N63-E66 PolarHBondContact ND2-OE1 2.94Å; N63-E66 PolarHBondContact O-N 3.5Å; N63-E66 VanDerWaalsContact O-N 3.12Å; N63-K67 WeakPolarHBondContact O-CG 3.36Å; N63-K67 PolarHBondContact O-N 3.43Å; N63-F457 HydrophobicContact CB-CD1 4.19Å
64	P	81.4	Confident	82.3	Confident	31 Å²	31	72.7 Å²	72.7	20%	0.201	31%	0.305	C	S	.	.	H	α-helix	trans	-54.9	-34.5	174.6	-27.9	37.5	0	0	0	114.4	W68 F457	P64-W68 WeakPolarHBondContact O-CB 3.3Å; P64-W68 PolarHBondContact O-N 2.98Å; P64-F457 HydrophobicContact CB-CZ 4.25Å; P64-F457 VanDerWaalsContact CD-CE1 3.4Å; P64-F457 VanDerWaalsContact CD-CZ 3.42Å; P64-F457 HydrophobicContact CG-CE1 4.05Å; P64-F457 HydrophobicContact CG-CE2 4.4Å; P64-F457 HydrophobicContact CG-CZ 3.59Å
65	I	79.4	Confident	82.4	Confident	76 Å²	76	72.6 Å²	72.6	39%	0.39	31%	0.308	S	S	.	.	H	α-helix	trans	-69.4	-42.9	177.2	-60.8	176.1	0	0	0	110.7	N63 W68 R69 F457	N63-I65 PolarHBondContact O-N 3.46Å; I65-W68 WeakPolarHBondContact O-CB 3.41Å; I65-W68 PolarHBondContact O-N 3.06Å; I65-R69 PolarHBondContact O-N 2.88Å; I65-F457 HydrophobicContact CD1-CB 4.44Å; I65-F457 HydrophobicContact CD1-CD2 3.61Å; I65-F457 HydrophobicContact CD1-CE2 4.27Å; I65-F457 HydrophobicContact CD1-CG 4.37Å; I65-F457 HydrophobicContact CG1-CD2 4.06Å; I65-F457 HydrophobicContact CG1-CE2 4.31Å
66	E	81.5	Confident	82.5	Confident	46 Å²	46	77 Å²	77	22%	0.215	32%	0.322	C	S	.	.	H	α-helix	trans	-65	-43.2	174.6	-68.9	153.7	-156.1	0	0	111.3	L62 N63 W68 R69 I70	L62-E66 HydrophobicContact CB-CB 4.35Å; L62-E66 HydrophobicContact CD2-CB 4.09Å; L62-E66 WeakPolarHBondContact CD2-OE2 3.5Å; N63-E66 HydrophobicContact CB-CB 4.4Å; N63-E66 HydrophobicContact CB-CG 4.18Å; N63-E66 PolarHBondContact N-OE2 3.29Å; N63-E66 PolarHBondContact ND2-OE1 2.94Å; N63-E66 PolarHBondContact O-N 3.5Å; N63-E66 VanDerWaalsContact O-N 3.12Å; E66-W68 PolarHBondContact O-N 3.41Å; E66-R69 PolarHBondContact O-N 3.46Å; E66-R69 VanDerWaalsContact O-N 3.15Å; E66-I70 WeakPolarHBondContact O-CG1 3.36Å; E66-I70 PolarHBondContact O-N 3.46Å
67	K	84.1	Confident	82.6	Confident	49 Å²	49	76.7 Å²	76.7	21%	0.213	32%	0.323	C	S	.	.	H	α-helix	trans	-59.5	-36.2	173.6	-67.4	-175.6	-157.3	-144.6	0	111.8	F59 F60 L62 N63 R71	F59-K67 HydrophobicContact CD2-CG 4.39Å; F59-K67 HydrophobicContact CE1-CD 3.89Å; F59-K67 HydrophobicContact CE1-CG 4.42Å; F59-K67 HydrophobicContact CE2-CB 4.02Å; F59-K67 HydrophobicContact CE2-CD 4.13Å; F59-K67 HydrophobicContact CE2-CG 3.74Å; F59-K67 HydrophobicContact CZ-CB 3.98Å; F59-K67 HydrophobicContact CZ-CD 3.62Å; F59-K67 HydrophobicContact CZ-CG 3.73Å; F59-K67 WeakPolarHBondContact O-CE 3.08Å; F59-K67 PolarHBondContact O-NZ 3.44Å; F60-K67 PolarHBondContact O-NZ 3.21Å; L62-K67 HydrophobicContact CB-CG 3.77Å; L62-K67 WeakPolarHBondContact O-CE 3.47Å; N63-K67 WeakPolarHBondContact O-CG 3.36Å; N63-K67 PolarHBondContact O-N 3.43Å; K67-R71 WeakPolarHBondContact O-CB 3.42Å; K67-R71 PolarHBondContact O-N 3.5Å
68	W	84.2	Confident	82.8	Confident	126 Å²	126	78.9 Å²	78.9	48%	0.477	34%	0.335	S	S	.	.	H	α-helix	trans	-67.9	-44.9	175.2	178.2	47.9	0	0	0	111.5	P64 I65 E66 I70 R72 P75	P64-W68 WeakPolarHBondContact O-CB 3.3Å; P64-W68 PolarHBondContact O-N 2.98Å; I65-W68 WeakPolarHBondContact O-CB 3.41Å; I65-W68 PolarHBondContact O-N 3.06Å; E66-W68 PolarHBondContact O-N 3.41Å; W68-I70 VanDerWaalsContact C-N 3.33Å; W68-I70 PolarHBondContact O-N 2.92Å; W68-R72 VanDerWaalsContact O-CA 3.3Å; W68-R72 WeakPolarHBondContact O-CA 3.42Å; W68-R72 PolarHBondContact O-N 3.31Å; W68-P75 HydrophobicContact CG-CG 4.46Å
69	R	84.6	Confident	83.1	Confident	185 Å²	185	77.4 Å²	77.4	70%	0.698	33%	0.333	S	S	*	.	H	α-helix	trans	-57.2	-44.1	175.8	-169.2	-177	-73.7	-170.8	-3.5	111.8	I65 E66	I65-R69 PolarHBondContact O-N 2.88Å; E66-R69 PolarHBondContact O-N 3.46Å; E66-R69 VanDerWaalsContact O-N 3.15Å
70	I	79.9	Confident	83.6	Confident	68 Å²	68	77.4 Å²	77.4	35%	0.349	34%	0.335	S	S	.	.	H	α-helix	trans	-72.4	-48.6	-179.1	-64.8	164.7	0	0	0	112.2	L62 E66 W68 F600	L62-I70 HydrophobicContact CD1-CD1 3.52Å; E66-I70 WeakPolarHBondContact O-CG1 3.36Å; E66-I70 PolarHBondContact O-N 3.46Å; W68-I70 VanDerWaalsContact C-N 3.33Å; W68-I70 PolarHBondContact O-N 2.92Å; I70-F600 HydrophobicContact CD1-CE2 4.26Å; I70-F600 HydrophobicContact CG2-CD2 3.59Å; I70-F600 HydrophobicContact CG2-CE2 3.99Å; I70-F600 HydrophobicContact CG2-CG 4.16Å
71	R	80.1	Confident	83.9	Confident	83 Å²	83	75.7 Å²	75.7	31%	0.313	33%	0.328	S	S	.	.	H	α-helix	trans	-88.3	-13.5	-173.3	-72.1	-171.1	174.6	176.5	1.4	114.5	F59 K67 R73 E604	F59-R71 HydrophobicContact CE2-CG 4.06Å; F59-R71 VanDerWaalsContact CE2-NE 3.28Å; F59-R71 HydrophobicContact CZ-CG 4.37Å; F59-R71 VanDerWaalsContact CZ-NH2 3.34Å; K67-R71 WeakPolarHBondContact O-CB 3.42Å; K67-R71 PolarHBondContact O-N 3.5Å; R71-R73 HydrophobicContact CB-CB 4.43Å; R71-R73 HydrophobicContact CB-CG 4.48Å; R71-R73 PolarHBondContact O-N 3.4Å; R71-E604 IonicContact CZ-OE1 2.93Å; R71-E604 IonicContact CZ-OE2 2.73Å; R71-E604 IonicContact NH1-OE1 2.76Å; R71-E604 PolarHBondContact NH1-OE1 2.86Å; R71-E604 IonicContact NH1-OE2 2.87Å; R71-E604 PolarHBondContact NH1-OE2 2.96Å; R71-E604 IonicContact NH2-OE1 2.81Å; R71-E604 PolarHBondContact NH2-OE1 3.24Å
72	R	79.9	Confident	84.3	Confident	227 Å²	227	78 Å²	78	86%	0.857	35%	0.349	S	S	*	.			trans	49.9	25.4	-171	-61.1	-174.3	176.6	178.3	-0.6	114.2	W68	W68-R72 VanDerWaalsContact O-CA 3.3Å; W68-R72 WeakPolarHBondContact O-CA 3.42Å; W68-R72 PolarHBondContact O-N 3.31Å
73	R	81	Confident	84.9	Confident	147 Å²	147	80.6 Å²	80.6	56%	0.555	36%	0.363	S	S	*	.			trans	-106.1	128.1	178.7	-72.5	-172.4	-178.2	-171.9	-0.3	111.3	R71	R71-R73 HydrophobicContact CB-CB 4.43Å; R71-R73 HydrophobicContact CB-CG 4.48Å; R71-R73 PolarHBondContact O-N 3.4Å
74	L	82.8	Confident	85.6	Confident	97 Å²	97	80.2 Å²	80.2	51%	0.508	36%	0.361	S	S	.	.			trans	-52	130.8	-176.4	-74.3	159.8	0	0	0	112.5	W76	L74-W76 VanDerWaalsContact C-N 3.28Å; L74-W76 HydrophobicContact CB-CD2 3.95Å; L74-W76 HydrophobicContact CB-CE3 3.73Å; L74-W76 HydrophobicContact CB-CH2 3.43Å; L74-W76 VanDerWaalsContact CB-CH2 3.43Å; L74-W76 HydrophobicContact CB-CZ2 3.61Å; L74-W76 HydrophobicContact CB-CZ3 3.46Å; L74-W76 VanDerWaalsContact CB-CZ3 3.46Å; L74-W76 HydrophobicContact CD1-CH2 3.14Å; L74-W76 HydrophobicContact CD1-CZ2 3.64Å; L74-W76 HydrophobicContact CD1-CZ3 3.84Å; L74-W76 HydrophobicContact CD2-CH2 4.48Å; L74-W76 HydrophobicContact CD2-CZ3 4.39Å; L74-W76 HydrophobicContact CG-CH2 3.79Å; L74-W76 HydrophobicContact CG-CZ2 4.23Å; L74-W76 HydrophobicContact CG-CZ3 4.07Å; L74-W76 PolarHBondContact O-N 3.12Å
75	P	85.4	Confident	86.2	Confident	30 Å²	30	79.9 Å²	79.9	20%	0.195	36%	0.358	C	S	.	.			trans	-79.7	73.5	-175.3	33.1	-35.9	0	0	0	110.7	W68 K77 L78 I79	W68-P75 HydrophobicContact CG-CG 4.46Å; P75-K77 PolarHBondContact O-N 3.06Å; P75-K77 VanDerWaalsContact O-N 3.08Å; P75-L78 HydrophobicContact CB-CB 4.06Å; P75-L78 HydrophobicContact CG-CB 4.31Å; P75-L78 HydrophobicContact CG-CD2 4.35Å; P75-L78 WeakPolarHBondContact O-CA 3.44Å; P75-L78 WeakPolarHBondContact O-CB 3.2Å; P75-L78 PolarHBondContact O-N 2.82Å; P75-I79 PolarHBondContact O-N 3.1Å; P75-I79 VanDerWaalsContact O-N 3.13Å
76	W	84.8	Confident	86.9	Confident	154 Å²	154	81.1 Å²	81.1	58%	0.583	37%	0.365	S	S	*	.	H	α-helix	trans	-53.6	-34.4	-177.7	-62	153.5	0	0	0	114.2	L74 L78 I79 V80	L74-W76 VanDerWaalsContact C-N 3.28Å; L74-W76 HydrophobicContact CB-CD2 3.95Å; L74-W76 HydrophobicContact CB-CE3 3.73Å; L74-W76 HydrophobicContact CB-CH2 3.43Å; L74-W76 VanDerWaalsContact CB-CH2 3.43Å; L74-W76 HydrophobicContact CB-CZ2 3.61Å; L74-W76 HydrophobicContact CB-CZ3 3.46Å; L74-W76 VanDerWaalsContact CB-CZ3 3.46Å; L74-W76 HydrophobicContact CD1-CH2 3.14Å; L74-W76 HydrophobicContact CD1-CZ2 3.64Å; L74-W76 HydrophobicContact CD1-CZ3 3.84Å; L74-W76 HydrophobicContact CD2-CH2 4.48Å; L74-W76 HydrophobicContact CD2-CZ3 4.39Å; L74-W76 HydrophobicContact CG-CH2 3.79Å; L74-W76 HydrophobicContact CG-CZ2 4.23Å; L74-W76 HydrophobicContact CG-CZ3 4.07Å; L74-W76 PolarHBondContact O-N 3.12Å; W76-L78 VanDerWaalsContact C-N 3.3Å; W76-L78 PolarHBondContact O-N 3.11Å; W76-I79 HydrophobicContact CE3-CB 4.46Å; W76-I79 HydrophobicContact CE3-CD1 3.56Å; W76-I79 HydrophobicContact CZ3-CD1 3.55Å; W76-I79 PolarHBondContact O-N 2.91Å; W76-V80 WeakPolarHBondContact O-CB 3.35Å; W76-V80 VanDerWaalsContact O-CG2 3.24Å; W76-V80 WeakPolarHBondContact O-CG2 3.3Å; W76-V80 PolarHBondContact O-N 2.88Å
77	K	88.4	Confident	87.5	Confident	85 Å²	85	81.4 Å²	81.4	37%	0.37	37%	0.366	S	S	.	.	H	α-helix	trans	-61.7	-35.5	173.7	-70.3	179.6	178.9	176.2	0	113.2	P75 Q81 L363	P75-K77 PolarHBondContact O-N 3.06Å; P75-K77 VanDerWaalsContact O-N 3.08Å; K77-Q81 WeakPolarHBondContact O-CG 3.17Å; K77-Q81 PolarHBondContact O-N 3.47Å; K77-L363 HydrophobicContact CG-CB 4.26Å; K77-L363 HydrophobicContact CG-CD1 4.16Å
78	L	88.9	Confident	88.1	Confident	47 Å²	47	79.1 Å²	79.1	25%	0.246	36%	0.355	C	S	.	.	H	α-helix	trans	-75.2	-44.7	178	-178.6	65.8	0	0	0	110.3	P75 W76 Q81 A82 Y454	P75-L78 HydrophobicContact CB-CB 4.06Å; P75-L78 HydrophobicContact CG-CB 4.31Å; P75-L78 HydrophobicContact CG-CD2 4.35Å; P75-L78 WeakPolarHBondContact O-CA 3.44Å; P75-L78 WeakPolarHBondContact O-CB 3.2Å; P75-L78 PolarHBondContact O-N 2.82Å; W76-L78 VanDerWaalsContact C-N 3.3Å; W76-L78 PolarHBondContact O-N 3.11Å; L78-Q81 PolarHBondContact O-N 3.33Å; L78-A82 PolarHBondContact O-N 3.43Å; L78-Y454 HydrophobicContact CD1-CD1 3.37Å; L78-Y454 HydrophobicContact CD1-CE1 3.15Å; L78-Y454 HydrophobicContact CD1-CG 4.17Å
79	I	89.5	Confident	88.6	Confident	64 Å²	64	75.1 Å²	75.1	33%	0.328	35%	0.345	S	S	.	.	H	α-helix	trans	-63.8	-45.8	-178.4	-68.4	166.9	0	0	0	111.1	P75 W76 Q81 A82 I83	P75-I79 PolarHBondContact O-N 3.1Å; P75-I79 VanDerWaalsContact O-N 3.13Å; W76-I79 HydrophobicContact CE3-CB 4.46Å; W76-I79 HydrophobicContact CE3-CD1 3.56Å; W76-I79 HydrophobicContact CZ3-CD1 3.55Å; W76-I79 PolarHBondContact O-N 2.91Å; I79-Q81 VanDerWaalsContact C-N 3.27Å; I79-Q81 PolarHBondContact O-N 2.86Å; I79-A82 PolarHBondContact O-N 3.16Å; I79-I83 HydrophobicContact CG2-CD1 3.85Å; I79-I83 WeakPolarHBondContact O-CG1 3.45Å; I79-I83 PolarHBondContact O-N 2.96Å
80	V	91.4	Very high	89	Confident	28 Å²	28	69.4 Å²	69.4	17%	0.17	33%	0.328	C	S	.	.	H	α-helix	trans	-59.8	-38.5	175.7	170.8	0	0	0	0	111.5	W76 K84 V359	W76-V80 WeakPolarHBondContact O-CB 3.35Å; W76-V80 VanDerWaalsContact O-CG2 3.24Å; W76-V80 WeakPolarHBondContact O-CG2 3.3Å; W76-V80 PolarHBondContact O-N 2.88Å; V80-K84 VanDerWaalsContact O-CB 3.29Å; V80-K84 WeakPolarHBondContact O-CB 3.47Å; V80-K84 PolarHBondContact O-N 2.98Å; V80-V359 HydrophobicContact CG1-CG1 4.38Å; V80-V359 HydrophobicContact CG2-CG1 4.37Å
81	Q	92.3	Very high	89.6	Confident	14 Å²	14	66.2 Å²	66.2	7%	0.065	31%	0.311	C	S	.	.	H	α-helix	trans	-71.2	-39.3	178.8	-64.7	-72.5	-20.6	0	0	111.9	K77 L78 I79 K84 V85 S360 Y454	K77-Q81 WeakPolarHBondContact O-CG 3.17Å; K77-Q81 PolarHBondContact O-N 3.47Å; L78-Q81 PolarHBondContact O-N 3.33Å; I79-Q81 VanDerWaalsContact C-N 3.27Å; I79-Q81 PolarHBondContact O-N 2.86Å; Q81-K84 PolarHBondContact O-N 3.16Å; Q81-V85 VanDerWaalsContact O-CG2 3.25Å; Q81-V85 WeakPolarHBondContact O-CG2 3.2Å; Q81-V85 PolarHBondContact O-N 2.85Å; Q81-S360 PolarHBondContact NE2-OG 2.94Å; Q81-Y454 WeakPolarHBondContact CB-OH 3.46Å; Q81-Y454 VanDerWaalsContact CG-OH 3.26Å; Q81-Y454 WeakPolarHBondContact CG-OH 3.5Å
82	A	92.1	Very high	90.3	Very high	60 Å²	60	64.6 Å²	64.6	50%	0.496	31%	0.309	S	S	.	.	H	α-helix	trans	-62.7	-44.3	174.7	0	0	0	0	0	111.6	L78 I79 V85 L86	L78-A82 PolarHBondContact O-N 3.43Å; I79-A82 PolarHBondContact O-N 3.16Å; A82-V85 PolarHBondContact O-N 3.01Å; A82-L86 PolarHBondContact O-N 2.89Å
83	I	92.6	Very high	90.9	Very high	68 Å²	68	62 Å²	62	35%	0.349	30%	0.3	S	S	.	.	H	α-helix	trans	-62.6	-43.6	174.4	-66.7	169	0	0	0	110.6	I79 V85 L86 F87	I79-I83 HydrophobicContact CG2-CD1 3.85Å; I79-I83 WeakPolarHBondContact O-CG1 3.45Å; I79-I83 PolarHBondContact O-N 2.96Å; I83-V85 PolarHBondContact O-N 2.98Å; I83-L86 PolarHBondContact O-N 3.47Å; I83-F87 HydrophobicContact CG2-CD1 4.37Å; I83-F87 HydrophobicContact CG2-CD2 3.74Å; I83-F87 HydrophobicContact CG2-CE1 4.16Å; I83-F87 HydrophobicContact CG2-CE2 3.49Å; I83-F87 VanDerWaalsContact CG2-CE2 3.49Å; I83-F87 HydrophobicContact CG2-CG 4.18Å; I83-F87 HydrophobicContact CG2-CZ 3.73Å; I83-F87 WeakPolarHBondContact O-CG 3.5Å; I83-F87 PolarHBondContact O-N 2.88Å
84	K	94.1	Very high	91.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.5	-47.1	177.1	-174.4	-176.4	69.8	173.7	0	111.7	V80 Q81 L86 F87 V88 S360 N409 D410	V80-K84 VanDerWaalsContact O-CB 3.29Å; V80-K84 WeakPolarHBondContact O-CB 3.47Å; V80-K84 PolarHBondContact O-N 2.98Å; Q81-K84 PolarHBondContact O-N 3.16Å; K84-L86 VanDerWaalsContact C-N 3.31Å; K84-L86 PolarHBondContact O-N 3.45Å; K84-F87 PolarHBondContact O-N 2.87Å; K84-V88 HydrophobicContact CG-CG2 3.9Å; K84-V88 VanDerWaalsContact O-CB 3.29Å; K84-V88 WeakPolarHBondContact O-CB 3.49Å; K84-V88 WeakPolarHBondContact O-CG2 3.34Å; K84-V88 PolarHBondContact O-N 2.71Å; K84-S360 PolarHBondContact NZ-OG 3.49Å; K84-N409 PolarHBondContact NZ-OD1 2.89Å; K84-D410 VanDerWaalsContact CD-OD1 3.28Å; K84-D410 WeakPolarHBondContact CD-OD1 3.32Å; K84-D410 IonicContact NZ-OD1 3.93Å; K84-D410 PolarHBondContact NZ-OD1 3.21Å; K84-D410 IonicContact NZ-OD2 3.88Å
85	V	94.5	Very high	91.5	Very high	23 Å²	23	51.8 Å²	51.8	14%	0.139	26%	0.257	C	S	.	.	H	α-helix	trans	-55.5	-48.2	177.5	169.8	0	0	0	0	110.5	Q81 A82 I83 T89 V447 W448 I451	Q81-V85 VanDerWaalsContact O-CG2 3.25Å; Q81-V85 WeakPolarHBondContact O-CG2 3.2Å; Q81-V85 PolarHBondContact O-N 2.85Å; A82-V85 PolarHBondContact O-N 3.01Å; I83-V85 PolarHBondContact O-N 2.98Å; V85-T89 VanDerWaalsContact O-CB 3.28Å; V85-T89 WeakPolarHBondContact O-CB 3.36Å; V85-T89 PolarHBondContact O-N 2.9Å; V85-T89 VanDerWaalsContact O-N 3.08Å; V85-T89 PolarHBondContact O-OG1 3Å; V85-V447 HydrophobicContact CB-CG1 4.2Å; V85-V447 HydrophobicContact CG2-CG1 3.51Å; V85-W448 HydrophobicContact CG1-CZ2 4.46Å; V85-I451 HydrophobicContact CG1-CD1 3.73Å; V85-I451 HydrophobicContact CG2-CD1 4.1Å; V85-I451 HydrophobicContact CG2-CG1 4.07Å
86	L	93.8	Very high	91.8	Very high	102 Å²	102	51.8 Å²	51.8	53%	0.534	26%	0.262	S	S	.	.	H	α-helix	trans	-62	-52.9	179.3	-178.2	64.6	0	0	0	111.7	A82 I83 K84 T89 I90	A82-L86 PolarHBondContact O-N 2.89Å; I83-L86 PolarHBondContact O-N 3.47Å; K84-L86 VanDerWaalsContact C-N 3.31Å; K84-L86 PolarHBondContact O-N 3.45Å; L86-T89 PolarHBondContact O-N 2.88Å; L86-I90 HydrophobicContact CD1-CD1 3.89Å; L86-I90 HydrophobicContact CD1-CG1 4.46Å; L86-I90 HydrophobicContact CG-CD1 3.94Å; L86-I90 VanDerWaalsContact O-CG1 3.32Å; L86-I90 WeakPolarHBondContact O-CG1 3.32Å; L86-I90 PolarHBondContact O-N 3.45Å
87	F	94.3	Very high	91.9	Very high	53 Å²	53	47.9 Å²	47.9	23%	0.232	25%	0.253	C	S	.	.	H	α-helix	trans	-64.7	-45.1	-175.7	-71.4	-3.3	0	0	0	112.3	I83 K84 T89 I90 Q91 L352 I353 T356	I83-F87 HydrophobicContact CG2-CD1 4.37Å; I83-F87 HydrophobicContact CG2-CD2 3.74Å; I83-F87 HydrophobicContact CG2-CE1 4.16Å; I83-F87 HydrophobicContact CG2-CE2 3.49Å; I83-F87 VanDerWaalsContact CG2-CE2 3.49Å; I83-F87 HydrophobicContact CG2-CG 4.18Å; I83-F87 HydrophobicContact CG2-CZ 3.73Å; I83-F87 WeakPolarHBondContact O-CG 3.5Å; I83-F87 PolarHBondContact O-N 2.88Å; K84-F87 PolarHBondContact O-N 2.87Å; F87-T89 VanDerWaalsContact C-N 3.32Å; F87-T89 PolarHBondContact O-N 3.12Å; F87-I90 PolarHBondContact O-N 3.21Å; F87-Q91 WeakPolarHBondContact O-CB 3.48Å; F87-Q91 PolarHBondContact O-N 3.23Å; F87-L352 HydrophobicContact CE2-CB 4.43Å; F87-I353 HydrophobicContact CB-CD1 4.07Å; F87-I353 HydrophobicContact CB-CG1 3.71Å; F87-I353 HydrophobicContact CD2-CG1 4.5Å; F87-T356 HydrophobicContact CD2-CG2 4.49Å
88	V	95.2	Very high	91.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.7	-35.3	180	175.2	0	0	0	0	111.2	K84 Q91 L92 I353 I413 T444	K84-V88 HydrophobicContact CG-CG2 3.9Å; K84-V88 VanDerWaalsContact O-CB 3.29Å; K84-V88 WeakPolarHBondContact O-CB 3.49Å; K84-V88 WeakPolarHBondContact O-CG2 3.34Å; K84-V88 PolarHBondContact O-N 2.71Å; V88-Q91 WeakPolarHBondContact O-CB 3.27Å; V88-Q91 PolarHBondContact O-N 2.97Å; V88-L92 WeakPolarHBondContact O-CB 3.35Å; V88-L92 PolarHBondContact O-N 3.24Å; V88-I353 HydrophobicContact CG2-CG2 4.13Å; V88-I413 HydrophobicContact CG1-CD1 3.84Å; V88-I413 HydrophobicContact CG1-CG1 4.22Å; V88-I413 HydrophobicContact CG1-CG2 4.49Å; V88-I413 HydrophobicContact CG2-CD1 4.08Å; V88-I413 HydrophobicContact CG2-CG2 3.96Å; V88-T444 HydrophobicContact CG1-CG2 4.32Å; V88-T444 VanDerWaalsContact CG1-OG1 3.29Å; V88-T444 WeakPolarHBondContact CG1-OG1 3.47Å
89	T	95.3	Very high	91.6	Very high	43 Å²	43	47 Å²	47	26%	0.264	25%	0.246	S	C	.	.	H	α-helix	trans	-67.8	-43.2	175.8	-57.4	0	0	0	0	111.5	V85 L86 F87 Q91 L92 Y93 W448	V85-T89 VanDerWaalsContact O-CB 3.28Å; V85-T89 WeakPolarHBondContact O-CB 3.36Å; V85-T89 PolarHBondContact O-N 2.9Å; V85-T89 VanDerWaalsContact O-N 3.08Å; V85-T89 PolarHBondContact O-OG1 3Å; L86-T89 PolarHBondContact O-N 2.88Å; F87-T89 VanDerWaalsContact C-N 3.32Å; F87-T89 PolarHBondContact O-N 3.12Å; T89-Q91 VanDerWaalsContact C-N 3.33Å; T89-L92 PolarHBondContact O-N 2.93Å; T89-Y93 WeakPolarHBondContact O-CB 3.3Å; T89-Y93 PolarHBondContact O-N 3.43Å; T89-W448 HydrophobicContact CG2-CZ2 4.2Å; T89-W448 PolarHBondContact OG1-NE1 3.29Å; T89-W448 VanDerWaalsContact OG1-NE1 3.12Å
90	I	93	Very high	91.6	Very high	64 Å²	64	49 Å²	49	33%	0.328	26%	0.256	S	S	.	.	H	α-helix	trans	-63.2	-42.4	175.1	-65.7	167.9	0	0	0	110.1	L86 F87 L92 Y93 N94 L349	L86-I90 HydrophobicContact CD1-CD1 3.89Å; L86-I90 HydrophobicContact CD1-CG1 4.46Å; L86-I90 HydrophobicContact CG-CD1 3.94Å; L86-I90 VanDerWaalsContact O-CG1 3.32Å; L86-I90 WeakPolarHBondContact O-CG1 3.32Å; L86-I90 PolarHBondContact O-N 3.45Å; F87-I90 PolarHBondContact O-N 3.21Å; I90-L92 PolarHBondContact O-N 3.5Å; I90-Y93 PolarHBondContact O-N 3.13Å; I90-N94 WeakPolarHBondContact CG2-ND2 3.29Å; I90-N94 PolarHBondContact O-N 2.88Å; I90-N94 VanDerWaalsContact O-N 3.17Å; I90-N94 PolarHBondContact O-ND2 3.1Å; I90-L349 HydrophobicContact CB-CD1 4.13Å; I90-L349 HydrophobicContact CG2-CD1 3.58Å
91	Q	93.3	Very high	91.3	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-57.4	-49.5	175	-178.5	-175.2	42.5	0	0	111.7	F87 V88 T89 N94 F95 L349 D350 I353 T417 K420	F87-Q91 WeakPolarHBondContact O-CB 3.48Å; F87-Q91 PolarHBondContact O-N 3.23Å; V88-Q91 WeakPolarHBondContact O-CB 3.27Å; V88-Q91 PolarHBondContact O-N 2.97Å; T89-Q91 VanDerWaalsContact C-N 3.33Å; Q91-N94 PolarHBondContact O-N 3.49Å; Q91-F95 WeakPolarHBondContact O-CB 3.25Å; Q91-F95 PolarHBondContact O-N 3.25Å; Q91-L349 HydrophobicContact CB-CD2 3.72Å; Q91-L349 HydrophobicContact CG-CD2 4.38Å; Q91-D350 VanDerWaalsContact CG-OD1 3.29Å; Q91-D350 WeakPolarHBondContact CG-OD1 3.42Å; Q91-D350 PolarHBondContact NE2-OD1 2.87Å; Q91-I353 HydrophobicContact CB-CD1 3.56Å; Q91-I353 VanDerWaalsContact CD-CD1 3.48Å; Q91-I353 HydrophobicContact CG-CD1 3.97Å; Q91-T417 PolarHBondContact NE2-OG1 3.49Å; Q91-T417 VanDerWaalsContact NE2-OG1 3.11Å; Q91-K420 HydrophobicContact CG-CD 4.41Å
92	L	93.9	Very high	90.9	Very high	50 Å²	50	49.4 Å²	49.4	26%	0.262	26%	0.261	S	S	.	.	H	α-helix	trans	-64.3	-42.4	-178.3	-177.3	69.2	0	0	0	111.5	V88 T89 I90 F95 G96 L440 T444	V88-L92 WeakPolarHBondContact O-CB 3.35Å; V88-L92 PolarHBondContact O-N 3.24Å; T89-L92 PolarHBondContact O-N 2.93Å; I90-L92 PolarHBondContact O-N 3.5Å; L92-F95 PolarHBondContact O-N 2.79Å; L92-G96 PolarHBondContact O-N 3.45Å; L92-L440 HydrophobicContact CD1-CB 4.07Å; L92-T444 HydrophobicContact CD2-CG2 3.65Å
93	Y	92.5	Very high	90.7	Very high	171 Å²	171	49.2 Å²	49.2	67%	0.671	25%	0.254	S	S	*	.	H	α-helix	trans	-58.2	-51.4	178.3	175.2	-97.3	0	0	0	111.6	T89 I90 F95 G96 D97	T89-Y93 WeakPolarHBondContact O-CB 3.3Å; T89-Y93 PolarHBondContact O-N 3.43Å; I90-Y93 PolarHBondContact O-N 3.13Å; Y93-F95 PolarHBondContact O-N 3.34Å; Y93-G96 PolarHBondContact O-N 3.06Å; Y93-D97 PolarHBondContact O-N 3.35Å
94	N	88	Confident	90.5	Very high	26 Å²	26	49.5 Å²	49.5	14%	0.139	26%	0.256	C	S	.	.	H	α-helix	trans	-67.2	-38.2	-179.2	-66.5	-65.1	0	0	0	112.3	I90 Q91 G96 M98 Y342 L346	I90-N94 WeakPolarHBondContact CG2-ND2 3.29Å; I90-N94 PolarHBondContact O-N 2.88Å; I90-N94 VanDerWaalsContact O-N 3.17Å; I90-N94 PolarHBondContact O-ND2 3.1Å; Q91-N94 PolarHBondContact O-N 3.49Å; N94-G96 VanDerWaalsContact C-N 3.34Å; N94-M98 PolarHBondContact O-N 3.46Å; N94-Y342 PolarHBondContact OD1-OH 3.03Å; N94-L346 HydrophobicContact CB-CD2 3.58Å
95	F	89.4	Confident	90.3	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.018	26%	0.261	C	S	.	.	H	α-helix	trans	-66.5	-37.4	173.9	177.9	-95.3	0	0	0	111.9	Q91 L92 Y93 M98 R99 K420 L433 T436 L440	Q91-F95 WeakPolarHBondContact O-CB 3.25Å; Q91-F95 PolarHBondContact O-N 3.25Å; L92-F95 PolarHBondContact O-N 2.79Å; Y93-F95 PolarHBondContact O-N 3.34Å; F95-M98 PolarHBondContact O-N 3.26Å; F95-R99 HydrophobicContact CE1-CB 4.48Å; F95-R99 WeakPolarHBondContact O-CB 3.43Å; F95-R99 PolarHBondContact O-N 3.35Å; F95-K420 HydrophobicContact CD2-CD 4.17Å; F95-K420 HydrophobicContact CD2-CG 4.17Å; F95-K420 HydrophobicContact CE2-CG 4.47Å; F95-L433 HydrophobicContact CE2-CD1 3.99Å; F95-L433 HydrophobicContact CZ-CD1 3.76Å; F95-T436 HydrophobicContact CE1-CG2 4.36Å; F95-T436 HydrophobicContact CE2-CG2 3.74Å; F95-T436 HydrophobicContact CZ-CG2 3.61Å; F95-L440 HydrophobicContact CD1-CD1 4.23Å; F95-L440 HydrophobicContact CG-CD1 4.22Å
96	G	91.5	Very high	90	Very high	30 Å²	30	50.9 Å²	50.9	31%	0.309	26%	0.261	S	S	.	.	H	α-helix	trans	-62.6	-45	176.8	0	0	0	0	0	112.4	L92 Y93 N94 R99 M100	L92-G96 PolarHBondContact O-N 3.45Å; Y93-G96 PolarHBondContact O-N 3.06Å; N94-G96 VanDerWaalsContact C-N 3.34Å; G96-R99 PolarHBondContact O-N 2.87Å; G96-M100 WeakPolarHBondContact O-CB 3.34Å; G96-M100 PolarHBondContact O-N 3.46Å
97	D	87.2	Confident	89.9	Confident	73 Å²	73	50.6 Å²	50.6	39%	0.39	26%	0.257	S	S	.	.	H	α-helix	trans	-61	-48.1	175.9	-168.9	53.1	0	0	0	111.4	Y93 R99 M100 A101	Y93-D97 PolarHBondContact O-N 3.35Å; D97-R99 PolarHBondContact O-N 2.99Å; D97-M100 PolarHBondContact O-N 2.75Å; D97-A101 PolarHBondContact O-N 2.9Å
98	M	83	Confident	89.7	Confident	38 Å²	38	54.4 Å²	54.4	19%	0.187	28%	0.276	C	S	.	.	H	α-helix	trans	-58.1	-46.4	175.7	-172.8	-154.6	-58.5	0	0	112.1	N94 F95 H102	N94-M98 PolarHBondContact O-N 3.46Å; F95-M98 PolarHBondContact O-N 3.26Å; M98-H102 PolarHBondContact O-N 3.21Å
99	R	87.1	Confident	89.5	Confident	74 Å²	74	54.7 Å²	54.7	28%	0.279	28%	0.278	S	S	.	.	H	α-helix	trans	-65.8	-41.8	179.5	176.3	177.6	165.4	147.4	-5.8	111.5	F95 G96 D97 H102 V103 L433 T434	F95-R99 HydrophobicContact CE1-CB 4.48Å; F95-R99 WeakPolarHBondContact O-CB 3.43Å; F95-R99 PolarHBondContact O-N 3.35Å; G96-R99 PolarHBondContact O-N 2.87Å; D97-R99 PolarHBondContact O-N 2.99Å; R99-H102 PolarHBondContact O-N 3.44Å; R99-V103 HydrophobicContact CG-CG2 4.44Å; R99-V103 WeakPolarHBondContact O-CG2 3.4Å; R99-V103 PolarHBondContact O-N 2.86Å; R99-L433 HydrophobicContact CG-CD2 4.31Å; R99-L433 HydrophobicContact CG-CG 4.5Å; R99-L433 PolarHBondContact NH1-O 2.81Å; R99-T434 PolarHBondContact NH1-O 3.06Å
100	M	88.8	Confident	89.4	Confident	108 Å²	108	54.6 Å²	54.6	53%	0.532	27%	0.274	S	S	.	.	H	α-helix	trans	-65	-43.1	-179.8	-169	63	70.7	0	0	111.1	G96 D97 H102 V103 N104	G96-M100 WeakPolarHBondContact O-CB 3.34Å; G96-M100 PolarHBondContact O-N 3.46Å; D97-M100 PolarHBondContact O-N 2.75Å; M100-H102 VanDerWaalsContact C-N 3.29Å; M100-H102 PolarHBondContact O-N 2.88Å; M100-V103 PolarHBondContact O-N 3.4Å; M100-N104 WeakPolarHBondContact O-CB 3.46Å; M100-N104 VanDerWaalsContact O-CG 3.24Å; M100-N104 PolarHBondContact O-N 2.92Å
101	A	85.1	Confident	89.3	Confident	33 Å²	33	52.7 Å²	52.7	27%	0.273	27%	0.268	S	S	.	.	H	α-helix	trans	-57.2	-42.9	174.7	0	0	0	0	0	112.1	D97 F105	D97-A101 PolarHBondContact O-N 2.9Å; A101-F105 WeakPolarHBondContact O-CB 3.3Å; A101-F105 PolarHBondContact O-N 3.33Å
102	H	83.7	Confident	89.2	Confident	16 Å²	16	54.7 Å²	54.7	7%	0.074	28%	0.281	C	S	.	.	H	α-helix	trans	-64.7	-46.3	176.1	175	-89.7	0	0	0	113	M98 R99 M100 F105 I106 F299 F428	M98-H102 PolarHBondContact O-N 3.21Å; R99-H102 PolarHBondContact O-N 3.44Å; M100-H102 VanDerWaalsContact C-N 3.29Å; M100-H102 PolarHBondContact O-N 2.88Å; H102-F105 PolarHBondContact O-N 3.23Å; H102-I106 WeakPolarHBondContact CE1-CD1 3.45Å; H102-I106 PolarHBondContact O-N 2.94Å; H102-I106 VanDerWaalsContact O-N 3.15Å; H102-F299 AromaticContact CD2-CE1 3.75Å; H102-F299 AromaticContact CD2-CZ 3.62Å; H102-F299 AromaticContact NE2-CE1 3.57Å; H102-F299 AromaticContact NE2-CZ 3.96Å; H102-F428 AromaticContact CD2-CE1 3.83Å; H102-F428 AromaticContact CE1-CE1 3.8Å; H102-F428 AromaticContact NE2-CE1 3.47Å; H102-F428 WeakPolarHBondContact NE2-CE1 3.08Å
103	V	88	Confident	89	Confident	57 Å²	57	52.3 Å²	52.3	35%	0.345	27%	0.269	S	S	.	.	H	α-helix	trans	-64.5	-45.1	178.8	171.8	0	0	0	0	111	R99 M100 F105 I106 E107	R99-V103 HydrophobicContact CG-CG2 4.44Å; R99-V103 WeakPolarHBondContact O-CG2 3.4Å; R99-V103 PolarHBondContact O-N 2.86Å; M100-V103 PolarHBondContact O-N 3.4Å; V103-F105 VanDerWaalsContact C-N 3.32Å; V103-F105 PolarHBondContact O-N 2.92Å; V103-I106 PolarHBondContact O-N 3.41Å; V103-E107 HydrophobicContact CG1-CG 4.4Å; V103-E107 PolarHBondContact O-N 2.97Å
104	N	90	Very high	89	Confident	74 Å²	74	46.1 Å²	46.1	40%	0.396	24%	0.244	S	C	.	.	H	α-helix	trans	-59.3	-43.9	176.8	-71.9	-5.8	0	0	0	111.1	M100 I106 E107 E108	M100-N104 WeakPolarHBondContact O-CB 3.46Å; M100-N104 VanDerWaalsContact O-CG 3.24Å; M100-N104 PolarHBondContact O-N 2.92Å; N104-I106 VanDerWaalsContact C-N 3.33Å; N104-I106 PolarHBondContact O-N 3.44Å; N104-E107 PolarHBondContact O-N 3.15Å; N104-E108 VanDerWaalsContact O-CB 3.26Å; N104-E108 WeakPolarHBondContact O-CB 3.45Å; N104-E108 VanDerWaalsContact O-CG 3.27Å; N104-E108 WeakPolarHBondContact O-CG 3.23Å; N104-E108 PolarHBondContact O-N 3.31Å
105	F	88.7	Confident	89.1	Confident	23 Å²	23	48.3 Å²	48.3	10%	0.101	25%	0.254	C	S	.	.	H	α-helix	trans	-58.8	-42.8	176.4	176.4	-107.7	0	0	0	112.7	A101 H102 V103 S109 T284 H286 F299	A101-F105 WeakPolarHBondContact O-CB 3.3Å; A101-F105 PolarHBondContact O-N 3.33Å; H102-F105 PolarHBondContact O-N 3.23Å; V103-F105 VanDerWaalsContact C-N 3.32Å; V103-F105 PolarHBondContact O-N 2.92Å; F105-S109 WeakPolarHBondContact O-CB 3.49Å; F105-S109 PolarHBondContact O-N 2.96Å; F105-S109 PolarHBondContact O-OG 3.3Å; F105-T284 HydrophobicContact CE1-CG2 4.03Å; F105-T284 HydrophobicContact CZ-CG2 3.63Å; F105-H286 HydrophobicContact CD1-CB 4.09Å; F105-H286 HydrophobicContact CD2-CB 4.06Å; F105-H286 AromaticContact CD2-CE1 3.87Å; F105-H286 AromaticContact CD2-CG 3.76Å; F105-H286 AromaticContact CD2-ND1 3.08Å; F105-H286 WeakPolarHBondContact CD2-ND1 3.29Å; F105-H286 HydrophobicContact CE1-CB 3.98Å; F105-H286 HydrophobicContact CE2-CB 3.92Å; F105-H286 AromaticContact CE2-ND1 3.64Å; F105-H286 HydrophobicContact CG-CB 4.12Å; F105-H286 AromaticContact CG-CG 3.77Å; F105-H286 AromaticContact CG-ND1 3.41Å; F105-H286 WeakPolarHBondContact CG-ND1 3.47Å; F105-H286 HydrophobicContact CZ-CB 3.88Å; F105-F299 HydrophobicContact CD1-CD2 4Å; F105-F299 HydrophobicContact CD1-CE2 4.02Å; F105-F299 HydrophobicContact CE1-CB 4.39Å; F105-F299 AromaticContact CE1-CD2 3.43Å; F105-F299 HydrophobicContact CE1-CD2 3.43Å; F105-F299 VanDerWaalsContact CE1-CD2 3.43Å; F105-F299 AromaticContact CE1-CE2 3.91Å; F105-F299 HydrophobicContact CE1-CE2 3.91Å; F105-F299 HydrophobicContact CE1-CG 4.03Å; F105-F299 HydrophobicContact CZ-CD2 4.27Å
106	I	88.6	Confident	89	Confident	29 Å²	29	49.1 Å²	49.1	15%	0.149	26%	0.258	C	S	.	.	H	α-helix	trans	-67.7	-45.4	178.4	-68.2	176.3	0	0	0	111.2	H102 V103 N104 S109 K110 A324	H102-I106 WeakPolarHBondContact CE1-CD1 3.45Å; H102-I106 PolarHBondContact O-N 2.94Å; H102-I106 VanDerWaalsContact O-N 3.15Å; V103-I106 PolarHBondContact O-N 3.41Å; N104-I106 VanDerWaalsContact C-N 3.33Å; N104-I106 PolarHBondContact O-N 3.44Å; I106-S109 PolarHBondContact O-N 2.87Å; I106-K110 VanDerWaalsContact O-CB 3.31Å; I106-K110 WeakPolarHBondContact O-CB 3.41Å; I106-K110 PolarHBondContact O-N 2.87Å; I106-A324 HydrophobicContact CD1-CB 3.74Å; I106-A324 HydrophobicContact CG1-CB 3.99Å
107	E	90.5	Very high	88.9	Confident	96 Å²	96	47.8 Å²	47.8	45%	0.449	24%	0.243	S	C	.	.	H	α-helix	trans	-67.7	-41.9	-179.7	-73.1	-59.1	141.3	0	0	112.2	V103 N104 K110 A111	V103-E107 HydrophobicContact CG1-CG 4.4Å; V103-E107 PolarHBondContact O-N 2.97Å; N104-E107 PolarHBondContact O-N 3.15Å; E107-K110 WeakPolarHBondContact O-CB 3.25Å; E107-K110 PolarHBondContact O-N 3.4Å; E107-A111 WeakPolarHBondContact O-CB 3.3Å; E107-A111 PolarHBondContact O-N 2.91Å
108	E	90.9	Very high	89	Confident	133 Å²	133	44.5 Å²	44.5	62%	0.621	23%	0.226	S	C	*	.	H	α-helix	trans	-65.5	-40	174.7	-71.8	176.8	-177.2	0	0	111.7	N104 K110 A111 S112	N104-E108 VanDerWaalsContact O-CB 3.26Å; N104-E108 WeakPolarHBondContact O-CB 3.45Å; N104-E108 VanDerWaalsContact O-CG 3.27Å; N104-E108 WeakPolarHBondContact O-CG 3.23Å; N104-E108 PolarHBondContact O-N 3.31Å; E108-K110 VanDerWaalsContact C-N 3.34Å; E108-A111 PolarHBondContact O-N 3.21Å; E108-S112 WeakPolarHBondContact O-CB 3.43Å; E108-S112 PolarHBondContact O-N 3.09Å
109	S	91.2	Very high	89.3	Confident	6 Å²	6	43.5 Å²	43.5	4%	0.042	22%	0.223	C	C	.	.	H	α-helix	trans	-63	-42.4	173.1	-61.8	0	0	0	0	110.8	F105 I106 S112 L113	F105-S109 WeakPolarHBondContact O-CB 3.49Å; F105-S109 PolarHBondContact O-N 2.96Å; F105-S109 PolarHBondContact O-OG 3.3Å; I106-S109 PolarHBondContact O-N 2.87Å; S109-S112 PolarHBondContact O-N 3.09Å; S109-L113 WeakPolarHBondContact O-CB 3.23Å; S109-L113 WeakPolarHBondContact O-CD1 3.31Å; S109-L113 WeakPolarHBondContact O-CG 3.26Å; S109-L113 PolarHBondContact O-N 3.45Å
110	K	92.3	Very high	89.2	Confident	41 Å²	41	49 Å²	49	18%	0.178	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-44	176.6	-173.8	-175.6	-171.6	-172	0	111.9	I106 E107 E108 L113 R114 L320 V322	I106-K110 VanDerWaalsContact O-CB 3.31Å; I106-K110 WeakPolarHBondContact O-CB 3.41Å; I106-K110 PolarHBondContact O-N 2.87Å; E107-K110 WeakPolarHBondContact O-CB 3.25Å; E107-K110 PolarHBondContact O-N 3.4Å; E108-K110 VanDerWaalsContact C-N 3.34Å; K110-L113 PolarHBondContact O-N 2.89Å; K110-R114 WeakPolarHBondContact O-CG 3.21Å; K110-R114 PolarHBondContact O-N 3.18Å; K110-L320 WeakPolarHBondContact CE-O 3.23Å; K110-V322 HydrophobicContact CB-CG2 4.32Å; K110-V322 HydrophobicContact CG-CG2 4.12Å
111	A	91.6	Very high	89.2	Confident	24 Å²	24	45.7 Å²	45.7	20%	0.198	23%	0.233	C	C	.	.	H	α-helix	trans	-60.7	-49.3	174.1	0	0	0	0	0	110.8	E107 E108 L113 R114 H115	E107-A111 WeakPolarHBondContact O-CB 3.3Å; E107-A111 PolarHBondContact O-N 2.91Å; E108-A111 PolarHBondContact O-N 3.21Å; A111-L113 VanDerWaalsContact C-N 3.32Å; A111-L113 PolarHBondContact O-N 3.09Å; A111-R114 WeakPolarHBondContact O-CB 3.25Å; A111-R114 PolarHBondContact O-N 3.35Å; A111-R114 VanDerWaalsContact O-N 3.11Å; A111-H115 PolarHBondContact O-CD2 3.39Å; A111-H115 VanDerWaalsContact O-CD2 3.28Å; A111-H115 PolarHBondContact O-N 2.8Å; A111-H115 VanDerWaalsContact O-N 3.1Å
112	S	90.6	Very high	89.3	Confident	42 Å²	42	46.1 Å²	46.1	29%	0.294	23%	0.234	S	C	.	.	H	α-helix	trans	-54.4	-47	174.8	171.5	0	0	0	0	112	E108 S109 R114 H115 I116 Y181	E108-S112 WeakPolarHBondContact O-CB 3.43Å; E108-S112 PolarHBondContact O-N 3.09Å; S109-S112 PolarHBondContact O-N 3.09Å; S112-R114 VanDerWaalsContact C-N 3.32Å; S112-R114 PolarHBondContact O-N 2.94Å; S112-H115 PolarHBondContact O-N 2.69Å; S112-I116 WeakPolarHBondContact O-CD1 3.17Å; S112-I116 VanDerWaalsContact O-CG1 3.23Å; S112-I116 WeakPolarHBondContact O-CG1 3.42Å; S112-I116 PolarHBondContact O-N 2.87Å; S112-Y181 PolarHBondContact OG-OH 3.2Å
113	L	90.9	Very high	89.5	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-67.3	-29.3	179.9	-67.9	166.8	0	0	0	112.7	S109 K110 A111 F117 Y181 L282 L301 P303 L320 V322	S109-L113 WeakPolarHBondContact O-CB 3.23Å; S109-L113 WeakPolarHBondContact O-CD1 3.31Å; S109-L113 WeakPolarHBondContact O-CG 3.26Å; S109-L113 PolarHBondContact O-N 3.45Å; K110-L113 PolarHBondContact O-N 2.89Å; A111-L113 VanDerWaalsContact C-N 3.32Å; A111-L113 PolarHBondContact O-N 3.09Å; L113-F117 HydrophobicContact CB-CD2 4.3Å; L113-F117 HydrophobicContact CD2-CD2 4.06Å; L113-F117 HydrophobicContact CD2-CE2 3.58Å; L113-F117 WeakPolarHBondContact O-CB 3.43Å; L113-F117 WeakPolarHBondContact O-CD2 3.31Å; L113-F117 PolarHBondContact O-N 3.06Å; L113-Y181 HydrophobicContact CD2-CE1 4.44Å; L113-L282 HydrophobicContact CD2-CD1 3.84Å; L113-L301 HydrophobicContact CD1-CD1 4.16Å; L113-P303 HydrophobicContact CD1-CG 3.92Å; L113-L320 HydrophobicContact CB-CD1 4.3Å; L113-L320 HydrophobicContact CB-CD2 4.09Å; L113-L320 WeakPolarHBondContact O-CD1 3.3Å; L113-V322 HydrophobicContact CD1-CG1 4.26Å; L113-V322 HydrophobicContact CD1-CG2 3.71Å
114	R	92	Very high	89.4	Confident	42 Å²	42	51.9 Å²	51.9	16%	0.158	27%	0.266	C	S	.	.	H	α-helix	trans	-67.1	-48	171.8	-73.4	163.3	174.7	163.4	-8.9	111.7	K110 A111 S112 I116 L118 W121 L320	K110-R114 WeakPolarHBondContact O-CG 3.21Å; K110-R114 PolarHBondContact O-N 3.18Å; A111-R114 WeakPolarHBondContact O-CB 3.25Å; A111-R114 PolarHBondContact O-N 3.35Å; A111-R114 VanDerWaalsContact O-N 3.11Å; S112-R114 VanDerWaalsContact C-N 3.32Å; S112-R114 PolarHBondContact O-N 2.94Å; R114-I116 PolarHBondContact O-N 3.18Å; R114-L118 HydrophobicContact CB-CD1 4.3Å; R114-L118 HydrophobicContact CG-CD1 4.2Å; R114-L118 VanDerWaalsContact O-CB 3.28Å; R114-L118 WeakPolarHBondContact O-CB 3.29Å; R114-L118 PolarHBondContact O-N 3.43Å; R114-W121 HydrophobicContact CB-CD2 4.1Å; R114-W121 HydrophobicContact CB-CG 4.28Å; R114-W121 HydrophobicContact CB-CZ2 4.42Å; R114-W121 HydrophobicContact CG-CZ2 4.37Å; R114-L320 HydrophobicContact CG-CB 4.05Å; R114-L320 HydrophobicContact CG-CD2 4.3Å
115	H	89.3	Confident	89.3	Confident	72 Å²	72	51.7 Å²	51.7	33%	0.333	26%	0.259	S	S	.	.	H	α-helix	trans	-64.8	-27.8	176.7	-79.7	-87.6	0	0	0	113.2	A111 S112 W121 D126	A111-H115 PolarHBondContact O-CD2 3.39Å; A111-H115 VanDerWaalsContact O-CD2 3.28Å; A111-H115 PolarHBondContact O-N 2.8Å; A111-H115 VanDerWaalsContact O-N 3.1Å; S112-H115 PolarHBondContact O-N 2.69Å; H115-W121 AromaticContact CD2-CD1 3.67Å; H115-W121 AromaticContact CE1-CD1 3.62Å; H115-W121 AromaticContact CG-CD1 3.95Å; H115-W121 AromaticContact ND1-CD1 3.93Å; H115-W121 AromaticContact NE2-CD1 3.44Å; H115-W121 AromaticContact NE2-NE1 3.92Å; H115-D126 IonicContact CD2-OD2 3.44Å; H115-D126 IonicContact CE1-OD2 3Å; H115-D126 IonicContact NE2-OD2 3.54Å; H115-D126 PolarHBondContact NE2-OD2 3.47Å
116	I	87.6	Confident	89.1	Confident	21 Å²	21	53 Å²	53	11%	0.108	27%	0.268	C	S	.	.	H	α-helix	trans	-71.7	-85.1	166	-62	158.8	0	0	0	106.2	S112 R114 L118 Q169 L173 T177 Y181	S112-I116 WeakPolarHBondContact O-CD1 3.17Å; S112-I116 VanDerWaalsContact O-CG1 3.23Å; S112-I116 WeakPolarHBondContact O-CG1 3.42Å; S112-I116 PolarHBondContact O-N 2.87Å; R114-I116 PolarHBondContact O-N 3.18Å; I116-L118 VanDerWaalsContact C-N 3.32Å; I116-L118 PolarHBondContact O-N 3.08Å; I116-Q169 VanDerWaalsContact C-CD 3.43Å; I116-Q169 HydrophobicContact CG2-CB 4.12Å; I116-Q169 HydrophobicContact CG2-CG 4.33Å; I116-Q169 VanDerWaalsContact CG2-OE1 3.28Å; I116-Q169 PolarHBondContact O-NE2 2.99Å; I116-Q169 PolarHBondContact O-OE1 2.76Å; I116-L173 HydrophobicContact CG2-CD1 4.11Å; I116-T177 HydrophobicContact CD1-CG2 3.52Å; I116-T177 HydrophobicContact CG1-CG2 4.14Å; I116-Y181 HydrophobicContact CD1-CE2 4.28Å
117	F	89.4	Confident	88.8	Confident	1 Å²	1	57.3 Å²	57.3	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-67.5	-14.8	-160.1	-66.7	-73.1	0	0	0	117.8	L113 Q169 Y170 L173 F280 I305 L320	L113-F117 HydrophobicContact CB-CD2 4.3Å; L113-F117 HydrophobicContact CD2-CD2 4.06Å; L113-F117 HydrophobicContact CD2-CE2 3.58Å; L113-F117 WeakPolarHBondContact O-CB 3.43Å; L113-F117 WeakPolarHBondContact O-CD2 3.31Å; L113-F117 PolarHBondContact O-N 3.06Å; F117-Q169 HydrophobicContact CD1-CB 4.41Å; F117-Q169 HydrophobicContact CE1-CB 4.31Å; F117-Q169 VanDerWaalsContact N-OE1 3.11Å; F117-Y170 HydrophobicContact CE1-CD2 4.44Å; F117-L173 HydrophobicContact CE2-CD1 4.2Å; F117-L173 HydrophobicContact CZ-CD1 3.8Å; F117-F280 HydrophobicContact CD1-CE1 4.42Å; F117-F280 HydrophobicContact CD1-CZ 4.01Å; F117-F280 AromaticContact CD2-CZ 3.82Å; F117-F280 HydrophobicContact CD2-CZ 3.82Å; F117-F280 HydrophobicContact CE1-CE1 4.2Å; F117-F280 HydrophobicContact CE1-CE2 4.19Å; F117-F280 AromaticContact CE1-CZ 3.6Å; F117-F280 HydrophobicContact CE1-CZ 3.6Å; F117-F280 AromaticContact CE2-CE2 3.74Å; F117-F280 HydrophobicContact CE2-CE2 3.74Å; F117-F280 AromaticContact CE2-CZ 3.42Å; F117-F280 HydrophobicContact CE2-CZ 3.42Å; F117-F280 VanDerWaalsContact CE2-CZ 3.42Å; F117-F280 HydrophobicContact CG-CZ 4.11Å; F117-F280 HydrophobicContact CZ-CE1 4.29Å; F117-F280 AromaticContact CZ-CE2 3.51Å; F117-F280 HydrophobicContact CZ-CE2 3.51Å; F117-F280 AromaticContact CZ-CZ 3.28Å; F117-F280 HydrophobicContact CZ-CZ 3.28Å; F117-I305 HydrophobicContact CB-CD1 3.7Å; F117-I305 HydrophobicContact CB-CG1 4.49Å; F117-I305 HydrophobicContact CD1-CD1 4.33Å; F117-I305 HydrophobicContact CG-CD1 4.16Å; F117-L320 HydrophobicContact CB-CD1 3.83Å; F117-L320 HydrophobicContact CD2-CD1 4.28Å; F117-L320 HydrophobicContact CG-CD1 4.47Å
118	L	90.7	Very high	88.3	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.021	31%	0.312	C	S	.	.	S	Bend	trans	-107.7	117.8	-178.5	-55.5	-179.4	0	0	0	110.8	R114 I116 Q120 W121 Y137 I305 V318 L320	R114-L118 HydrophobicContact CB-CD1 4.3Å; R114-L118 HydrophobicContact CG-CD1 4.2Å; R114-L118 VanDerWaalsContact O-CB 3.28Å; R114-L118 WeakPolarHBondContact O-CB 3.29Å; R114-L118 PolarHBondContact O-N 3.43Å; I116-L118 VanDerWaalsContact C-N 3.32Å; I116-L118 PolarHBondContact O-N 3.08Å; L118-Q120 PolarHBondContact O-N 2.91Å; L118-W121 HydrophobicContact CB-CB 4.35Å; L118-W121 HydrophobicContact CB-CE3 4.1Å; L118-W121 HydrophobicContact CD1-CD2 4.29Å; L118-W121 HydrophobicContact CD1-CE3 3.47Å; L118-W121 VanDerWaalsContact CD1-CE3 3.47Å; L118-W121 HydrophobicContact CD1-CH2 4.44Å; L118-W121 HydrophobicContact CD1-CZ3 3.55Å; L118-W121 HydrophobicContact CG-CE3 4.43Å; L118-W121 PolarHBondContact O-N 3.48Å; L118-Y137 HydrophobicContact CB-CE1 4.12Å; L118-Y137 HydrophobicContact CD1-CD1 4.37Å; L118-Y137 HydrophobicContact CD1-CE1 4.25Å; L118-Y137 HydrophobicContact CD2-CE1 4.3Å; L118-Y137 HydrophobicContact CG-CE1 4.46Å; L118-I305 HydrophobicContact CD2-CG2 4Å; L118-V318 HydrophobicContact CD2-CG1 3.72Å; L118-L320 HydrophobicContact CD1-CB 4.11Å
119	P	88.3	Confident	87.7	Confident	18 Å²	18	56.6 Å²	56.6	12%	0.117	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	138.2	-178.2	26.7	-33	0	0	0	111.1	W121 Y137 H148 Y151	P119-W121 PolarHBondContact O-N 3.4Å; P119-Y137 VanDerWaalsContact CD-OH 3.27Å; P119-Y137 WeakPolarHBondContact CD-OH 3.42Å; P119-Y137 PolarHBondContact O-OH 3.49Å; P119-H148 HydrophobicContact CG-CB 4.42Å; P119-H148 WeakPolarHBondContact CG-CD2 3.36Å; P119-Y151 HydrophobicContact CB-CD1 3.75Å; P119-Y151 HydrophobicContact CB-CD2 4.03Å; P119-Y151 HydrophobicContact CB-CE1 3.74Å; P119-Y151 HydrophobicContact CB-CE2 4.03Å; P119-Y151 HydrophobicContact CB-CG 3.88Å; P119-Y151 HydrophobicContact CG-CD1 3.96Å; P119-Y151 HydrophobicContact CG-CE1 4.34Å; P119-Y151 HydrophobicContact CG-CG 4.17Å
120	Q	85.6	Confident	86.7	Confident	190 Å²	190	62 Å²	62	89%	0.888	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	31.8	177.7	-54.7	177.6	-4.9	0	0	114.1	L118 S122	L118-Q120 PolarHBondContact O-N 2.91Å; Q120-S122 PolarHBondContact O-N 2.91Å
121	W	88.4	Confident	85.8	Confident	38 Å²	38	62.7 Å²	62.7	14%	0.144	32%	0.323	C	S	.	.			trans	-63.9	122.9	172.3	-171.1	-95.8	0	0	0	110.8	R114 H115 L118 P119 R125 D126 Y137	R114-W121 HydrophobicContact CB-CD2 4.1Å; R114-W121 HydrophobicContact CB-CG 4.28Å; R114-W121 HydrophobicContact CB-CZ2 4.42Å; R114-W121 HydrophobicContact CG-CZ2 4.37Å; H115-W121 AromaticContact CD2-CD1 3.67Å; H115-W121 AromaticContact CE1-CD1 3.62Å; H115-W121 AromaticContact CG-CD1 3.95Å; H115-W121 AromaticContact ND1-CD1 3.93Å; H115-W121 AromaticContact NE2-CD1 3.44Å; H115-W121 AromaticContact NE2-NE1 3.92Å; L118-W121 HydrophobicContact CB-CB 4.35Å; L118-W121 HydrophobicContact CB-CE3 4.1Å; L118-W121 HydrophobicContact CD1-CD2 4.29Å; L118-W121 HydrophobicContact CD1-CE3 3.47Å; L118-W121 VanDerWaalsContact CD1-CE3 3.47Å; L118-W121 HydrophobicContact CD1-CH2 4.44Å; L118-W121 HydrophobicContact CD1-CZ3 3.55Å; L118-W121 HydrophobicContact CG-CE3 4.43Å; L118-W121 PolarHBondContact O-N 3.48Å; P119-W121 PolarHBondContact O-N 3.4Å; W121-R125 HydrophobicContact CH2-CB 4.23Å; W121-R125 HydrophobicContact CZ2-CB 3.66Å; W121-D126 PolarHBondContact NE1-OD1 2.87Å; W121-Y137 HydrophobicContact CE3-CD1 4.21Å; W121-Y137 HydrophobicContact CE3-CD2 4.17Å; W121-Y137 HydrophobicContact CE3-CE2 4.49Å; W121-Y137 HydrophobicContact CE3-CG 4.03Å; W121-Y137 AromaticContact CZ3-CD1 3.95Å; W121-Y137 HydrophobicContact CZ3-CD1 3.95Å; W121-Y137 HydrophobicContact CZ3-CD2 4.34Å; W121-Y137 AromaticContact CZ3-CG 3.78Å; W121-Y137 HydrophobicContact CZ3-CG 3.78Å
122	S	87.8	Confident	85.1	Confident	41 Å²	41	65.4 Å²	65.4	29%	0.287	34%	0.339	S	S	.	.			trans	-92.3	137.7	178.8	63.2	0	0	0	0	111.6	Q120 E124 R125	Q120-S122 PolarHBondContact O-N 2.91Å; S122-E124 PolarHBondContact O-N 2.94Å; S122-E124 VanDerWaalsContact O-N 3.1Å; S122-R125 WeakPolarHBondContact O-CB 3.19Å; S122-R125 PolarHBondContact O-N 2.93Å; S122-R125 WeakPolarHBondContact OG-CG 3.36Å; S122-R125 PolarHBondContact OG-NE 3Å
123	S	87.2	Confident	84.6	Confident	80 Å²	80	69.3 Å²	69.3	56%	0.559	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-62.1	-19.3	178.8	-46.4	0	0	0	0	113.6	R125 D126	S123-R125 PolarHBondContact O-N 3.41Å; S123-D126 PolarHBondContact O-N 3.35Å
124	E	86.4	Confident	84.2	Confident	114 Å²	114	70.7 Å²	70.7	53%	0.533	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-61.9	-25.4	172.7	-63.7	177.8	-179.9	0	0	112.7	S122	S122-E124 PolarHBondContact O-N 2.94Å; S122-E124 VanDerWaalsContact O-N 3.1Å
125	R	86.9	Confident	83.8	Confident	70 Å²	70	71.8 Å²	71.8	26%	0.264	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-79.9	-17.2	179.2	-65.1	171.1	177.4	-72.6	-1.6	113.5	W121 S122 S123 I127 S134 A135	W121-R125 HydrophobicContact CH2-CB 4.23Å; W121-R125 HydrophobicContact CZ2-CB 3.66Å; S122-R125 WeakPolarHBondContact O-CB 3.19Å; S122-R125 PolarHBondContact O-N 2.93Å; S122-R125 WeakPolarHBondContact OG-CG 3.36Å; S122-R125 PolarHBondContact OG-NE 3Å; S123-R125 PolarHBondContact O-N 3.41Å; R125-I127 VanDerWaalsContact C-N 3.28Å; R125-S134 WeakPolarHBondContact CG-OG 3.4Å; R125-A135 VanDerWaalsContact CZ-O 3.24Å; R125-A135 PolarHBondContact NH1-O 3.11Å; R125-A135 PolarHBondContact NH2-O 2.84Å
126	D	84.7	Confident	83.6	Confident	52 Å²	52	72.1 Å²	72.1	28%	0.278	39%	0.393	S	S	.	.	S	Bend	trans	-80.6	-16.5	176.3	-61.7	-39.2	0	0	0	111.6	H115 W121 S123	H115-D126 IonicContact CD2-OD2 3.44Å; H115-D126 IonicContact CE1-OD2 3Å; H115-D126 IonicContact NE2-OD2 3.54Å; H115-D126 PolarHBondContact NE2-OD2 3.47Å; W121-D126 PolarHBondContact NE1-OD1 2.87Å; S123-D126 PolarHBondContact O-N 3.35Å
127	I	83.8	Confident	83.9	Confident	119 Å²	119	72.4 Å²	72.4	61%	0.61	39%	0.393	S	S	*	.	S	Bend	trans	-88.6	124.4	177.1	-54.3	171.4	0	0	0	108.6	R125 S129	R125-I127 VanDerWaalsContact C-N 3.28Å; I127-S129 PolarHBondContact O-N 3.45Å
128	I	78.6	Confident	84.1	Confident	179 Å²	179	73.3 Å²	73.3	92%	0.918	40%	0.4	S	S	*	.			trans	-76.8	93.9	172.4	-56.2	173.3	0	0	0	107.8
129	S	78.3	Confident	84.2	Confident	35 Å²	35	73.3 Å²	73.3	25%	0.245	40%	0.4	C	S	.	.			trans	-108.8	146	173.9	77.7	0	0	0	0	111.3	I127 P131 N133	I127-S129 PolarHBondContact O-N 3.45Å; S129-P131 CarbonylContact C-O 3.29Å; S129-P131 CarbonylContact O-C 3.53Å; S129-P131 PolarHBondContact OG-O 3.49Å; S129-N133 PolarHBondContact OG-N 2.94Å
130	Y	69.6	Low	84.3	Confident	118 Å²	118	79.6 Å²	79.6	46%	0.463	42%	0.423	S	S	.	.	S	Bend	trans	-129	124.1	173.2	-166.3	-84.9	0	0	0	110.6	K503	Y130-K503 HydrophobicContact CE1-CD 4.5Å; Y130-K503 VanDerWaalsContact CE1-CE 3.47Å; Y130-K503 HydrophobicContact CE1-CG 4.2Å; Y130-K503 WeakPolarHBondContact OH-CG 3.37Å
131	P	73.7	Confident	84.5	Confident	56 Å²	56	72.6 Å²	72.6	36%	0.364	40%	0.395	S	S	.	.	S	Bend	cis	-62.2	159.5	-9.5	30.1	-36.1	0	0	0	112	S129 N133 M502	S129-P131 CarbonylContact C-O 3.29Å; S129-P131 CarbonylContact O-C 3.53Å; S129-P131 PolarHBondContact OG-O 3.49Å; P131-N133 PolarHBondContact O-N 2.88Å; P131-M502 HydrophobicContact CB-CE 3.54Å; P131-M502 HydrophobicContact CB-SD 4.31Å; P131-M502 HydrophobicContact CG-CE 4.45Å
132	P	77.8	Confident	84.5	Confident	82 Å²	82	72.6 Å²	72.6	53%	0.532	40%	0.397	S	S	.	.			trans	-65.8	131.9	178.9	27	-33.8	0	0	0	110.2	S134	P132-S134 PolarHBondContact O-N 2.9Å
133	N	79	Confident	84.5	Confident	123 Å²	123	76.4 Å²	76.4	66%	0.658	41%	0.414	S	S	*	.	S	Bend	trans	-68.9	-20.8	179.1	-64.5	-18.7	0	0	0	112.6	S129 P131	S129-N133 PolarHBondContact OG-N 2.94Å; P131-N133 PolarHBondContact O-N 2.88Å
134	S	82.6	Confident	84.6	Confident	29 Å²	29	76.3 Å²	76.3	20%	0.203	41%	0.407	C	S	.	.	S	Bend	trans	-131.3	145	-178.8	60.4	0	0	0	0	111.8	R125 P132	R125-S134 WeakPolarHBondContact CG-OG 3.4Å; P132-S134 PolarHBondContact O-N 2.9Å
135	A	84.3	Confident	84.8	Confident	65 Å²	65	71.1 Å²	71.1	54%	0.537	38%	0.383	S	S	.	.			trans	-60.5	153.6	172.6	0	0	0	0	0	110.7	R125	R125-A135 VanDerWaalsContact CZ-O 3.24Å; R125-A135 PolarHBondContact NH1-O 3.11Å; R125-A135 PolarHBondContact NH2-O 2.84Å
136	P	86	Confident	84.9	Confident	79 Å²	79	69 Å²	69	51%	0.513	38%	0.376	S	S	.	.			trans	-53.6	143.3	178.6	24.1	-35.5	0	0	0	111.9	A138 L317	P136-A138 PolarHBondContact O-N 3.38Å; P136-A138 VanDerWaalsContact O-N 3.17Å; P136-L317 HydrophobicContact CB-CD2 3.81Å; P136-L317 HydrophobicContact CG-CD2 4.09Å
137	Y	92.3	Very high	85.1	Confident	28 Å²	28	69.3 Å²	69.3	11%	0.11	38%	0.381	C	S	.	.			trans	-68.2	114	-179.2	-176.2	-104.5	0	0	0	109.4	L118 P119 W121 H148 V318	L118-Y137 HydrophobicContact CB-CE1 4.12Å; L118-Y137 HydrophobicContact CD1-CD1 4.37Å; L118-Y137 HydrophobicContact CD1-CE1 4.25Å; L118-Y137 HydrophobicContact CD2-CE1 4.3Å; L118-Y137 HydrophobicContact CG-CE1 4.46Å; P119-Y137 VanDerWaalsContact CD-OH 3.27Å; P119-Y137 WeakPolarHBondContact CD-OH 3.42Å; P119-Y137 PolarHBondContact O-OH 3.49Å; W121-Y137 HydrophobicContact CE3-CD1 4.21Å; W121-Y137 HydrophobicContact CE3-CD2 4.17Å; W121-Y137 HydrophobicContact CE3-CE2 4.49Å; W121-Y137 HydrophobicContact CE3-CG 4.03Å; W121-Y137 AromaticContact CZ3-CD1 3.95Å; W121-Y137 HydrophobicContact CZ3-CD1 3.95Å; W121-Y137 HydrophobicContact CZ3-CD2 4.34Å; W121-Y137 AromaticContact CZ3-CG 3.78Å; W121-Y137 HydrophobicContact CZ3-CG 3.78Å; Y137-H148 AromaticContact CZ-NE2 3.99Å; Y137-H148 PolarHBondContact OH-CD2 3.34Å; Y137-H148 VanDerWaalsContact OH-CD2 3.31Å; Y137-H148 PolarHBondContact OH-NE2 3.47Å; Y137-V318 HydrophobicContact CD1-CB 3.69Å; Y137-V318 HydrophobicContact CD1-CG1 4.18Å; Y137-V318 HydrophobicContact CE1-CB 3.79Å; Y137-V318 HydrophobicContact CE1-CG1 3.94Å; Y137-V318 HydrophobicContact CE1-CG2 4.46Å; Y137-V318 PolarHBondContact O-N 3.4Å
138	A	93.2	Very high	85.4	Confident	19 Å²	19	64.9 Å²	64.9	16%	0.157	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	154.3	-168.3	0	0	0	0	0	112.1	P136 Y140 Q315 V316 L317	P136-A138 PolarHBondContact O-N 3.38Å; P136-A138 VanDerWaalsContact O-N 3.17Å; A138-Y140 HydrophobicContact CB-CE2 4.25Å; A138-Q315 HydrophobicContact CB-CG 3.58Å; A138-V316 CarbonylContact C-O 3.57Å; A138-V316 WeakPolarHBondContact CA-O 3.22Å; A138-L317 HydrophobicContact CB-CD2 4.13Å
139	I	92.9	Very high	85.9	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.021	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	140.1	179	-59.1	173.6	0	0	0	109.2	S141 D144 F145 H148 F307 V316 V318	I139-S141 WeakPolarHBondContact CG2-O 2.9Å; I139-D144 HydrophobicContact CG2-CB 3.54Å; I139-F145 HydrophobicContact CG2-CB 4.25Å; I139-H148 HydrophobicContact CD1-CB 3.74Å; I139-H148 VanDerWaalsContact CD1-CD2 3.49Å; I139-H148 WeakPolarHBondContact CD1-CD2 3.49Å; I139-F307 HydrophobicContact CD1-CD1 3.84Å; I139-F307 HydrophobicContact CD1-CE1 3.66Å; I139-V316 HydrophobicContact CB-CB 4.37Å; I139-V316 PolarHBondContact N-O 3.03Å; I139-V316 PolarHBondContact O-N 3.38Å; I139-V318 HydrophobicContact CD1-CG2 3.55Å; I139-V318 HydrophobicContact CG1-CG2 3.79Å
140	Y	91.6	Very high	86.3	Confident	151 Å²	151	55.2 Å²	55.2	59%	0.592	31%	0.306	S	S	*	.			trans	-120.5	-11.4	-176.2	-60.5	-83.8	0	0	0	114.3	A138 Q315	A138-Y140 HydrophobicContact CB-CE2 4.25Å; Y140-Q315 HydrophobicContact CD1-CB 4.26Å; Y140-Q315 HydrophobicContact CD1-CG 4.39Å; Y140-Q315 HydrophobicContact CE1-CB 3.82Å; Y140-Q315 HydrophobicContact CE1-CG 3.65Å; Y140-Q315 PolarHBondContact OH-NE2 3.45Å
141	S	90.1	Very high	87.1	Confident	43 Å²	43	51.3 Å²	51.3	30%	0.301	29%	0.291	S	S	.	.	S	Bend	trans	-123.3	152	179.3	86.4	0	0	0	0	111.8	I139 D143 D144 F145	I139-S141 WeakPolarHBondContact CG2-O 2.9Å; S141-D143 VanDerWaalsContact C-N 3.32Å; S141-D144 PolarHBondContact O-N 3.13Å; S141-D144 VanDerWaalsContact OG-CB 3.23Å; S141-D144 WeakPolarHBondContact OG-CB 3.21Å; S141-D144 PolarHBondContact OG-N 3.08Å; S141-D144 PolarHBondContact OG-OD2 3.35Å; S141-F145 PolarHBondContact O-N 2.83Å
142	L	87	Confident	87.7	Confident	37 Å²	37	48.6 Å²	48.6	19%	0.194	27%	0.273	C	S	.	.	H	α-helix	trans	-69.5	-33.7	178	-173.7	66.5	0	0	0	111.6	D144 F145 Y146 I253 R255	L142-D144 VanDerWaalsContact C-N 3.34Å; L142-F145 HydrophobicContact CD1-CD1 4.21Å; L142-F145 WeakPolarHBondContact O-CB 3.43Å; L142-F145 PolarHBondContact O-N 3.33Å; L142-Y146 HydrophobicContact CD1-CD2 4.24Å; L142-Y146 HydrophobicContact CD1-CE2 3.72Å; L142-Y146 HydrophobicContact CD2-CE2 4Å; L142-Y146 HydrophobicContact CG-CD2 3.94Å; L142-Y146 HydrophobicContact CG-CE2 3.6Å; L142-Y146 VanDerWaalsContact O-CD2 3.22Å; L142-Y146 WeakPolarHBondContact O-CD2 3.31Å; L142-Y146 PolarHBondContact O-N 3.24Å; L142-I253 HydrophobicContact CD1-CG2 4.21Å; L142-R255 HydrophobicContact CD2-CB 3.77Å
143	D	87.8	Confident	87.9	Confident	122 Å²	122	44.8 Å²	44.8	65%	0.652	25%	0.248	S	C	*	.	H	α-helix	trans	-66.6	-40.5	177	-60.3	-37.4	0	0	0	110.3	S141 Y146 S147	S141-D143 VanDerWaalsContact C-N 3.32Å; D143-Y146 PolarHBondContact O-N 3.48Å; D143-S147 WeakPolarHBondContact O-CB 3.47Å; D143-S147 PolarHBondContact O-N 2.89Å
144	D	89.5	Confident	87.7	Confident	77 Å²	77	39 Å²	39	41%	0.412	22%	0.217	S	C	.	.	H	α-helix	trans	-64.7	-39.5	172	-67.4	-34.9	0	0	0	111.6	I139 S141 L142 Y146 S147 H148	I139-D144 HydrophobicContact CG2-CB 3.54Å; S141-D144 PolarHBondContact O-N 3.13Å; S141-D144 VanDerWaalsContact OG-CB 3.23Å; S141-D144 WeakPolarHBondContact OG-CB 3.21Å; S141-D144 PolarHBondContact OG-N 3.08Å; S141-D144 PolarHBondContact OG-OD2 3.35Å; L142-D144 VanDerWaalsContact C-N 3.34Å; D144-Y146 PolarHBondContact O-N 2.57Å; D144-S147 WeakPolarHBondContact CA-OG 2.99Å; D144-S147 PolarHBondContact O-N 3.43Å; D144-S147 PolarHBondContact O-OG 2.83Å; D144-H148 PolarHBondContact O-N 3.12Å; D144-H148 PolarHBondContact O-ND1 3.05Å
145	F	90.7	Very high	86.7	Confident	6 Å²	6	39.7 Å²	39.7	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-58.2	-48.4	176.5	170.9	-96.8	0	0	0	111.6	I139 S141 L142 S147 H148 L149 I253 V276 F307	I139-F145 HydrophobicContact CG2-CB 4.25Å; S141-F145 PolarHBondContact O-N 2.83Å; L142-F145 HydrophobicContact CD1-CD1 4.21Å; L142-F145 WeakPolarHBondContact O-CB 3.43Å; L142-F145 PolarHBondContact O-N 3.33Å; F145-S147 VanDerWaalsContact C-N 3.34Å; F145-S147 PolarHBondContact O-N 3.2Å; F145-H148 PolarHBondContact O-N 3.2Å; F145-L149 HydrophobicContact CD1-CD1 4.09Å; F145-L149 HydrophobicContact CE1-CD1 3.36Å; F145-L149 HydrophobicContact CE1-CG 4.22Å; F145-L149 HydrophobicContact CE2-CD1 4.24Å; F145-L149 HydrophobicContact CE2-CG 4.37Å; F145-L149 HydrophobicContact CZ-CD1 3.46Å; F145-L149 VanDerWaalsContact CZ-CD1 3.46Å; F145-L149 HydrophobicContact CZ-CG 4.07Å; F145-L149 WeakPolarHBondContact O-CG 3.37Å; F145-L149 PolarHBondContact O-N 3.28Å; F145-I253 HydrophobicContact CE1-CD1 3.66Å; F145-I253 HydrophobicContact CZ-CD1 3.74Å; F145-V276 HydrophobicContact CE2-CG2 4.45Å; F145-V276 HydrophobicContact CZ-CB 4.3Å; F145-V276 HydrophobicContact CZ-CG2 3.93Å; F145-F307 AromaticContact CD2-CD1 3.99Å; F145-F307 HydrophobicContact CD2-CD1 3.99Å; F145-F307 HydrophobicContact CD2-CG 4.39Å; F145-F307 HydrophobicContact CE2-CB 3.91Å; F145-F307 AromaticContact CE2-CD1 3.97Å; F145-F307 HydrophobicContact CE2-CD1 3.97Å; F145-F307 AromaticContact CE2-CG 3.91Å; F145-F307 HydrophobicContact CE2-CG 3.91Å
146	Y	89.1	Confident	85.2	Confident	26 Å²	26	39.4 Å²	39.4	10%	0.102	21%	0.21	C	C	.	.	H	α-helix	trans	-68.6	-31.9	176.3	-72.5	-61.1	0	0	0	112.9	L142 D143 D144 L149 T150 I242 V243 L246 I253	L142-Y146 HydrophobicContact CD1-CD2 4.24Å; L142-Y146 HydrophobicContact CD1-CE2 3.72Å; L142-Y146 HydrophobicContact CD2-CE2 4Å; L142-Y146 HydrophobicContact CG-CD2 3.94Å; L142-Y146 HydrophobicContact CG-CE2 3.6Å; L142-Y146 VanDerWaalsContact O-CD2 3.22Å; L142-Y146 WeakPolarHBondContact O-CD2 3.31Å; L142-Y146 PolarHBondContact O-N 3.24Å; D143-Y146 PolarHBondContact O-N 3.48Å; D144-Y146 PolarHBondContact O-N 2.57Å; Y146-L149 HydrophobicContact CD1-CD1 4.37Å; Y146-T150 VanDerWaalsContact O-CB 3.28Å; Y146-T150 WeakPolarHBondContact O-CB 3.21Å; Y146-T150 PolarHBondContact O-N 3.22Å; Y146-T150 PolarHBondContact O-OG1 2.94Å; Y146-I242 HydrophobicContact CD1-CG2 4.39Å; Y146-V243 HydrophobicContact CD1-CG2 3.64Å; Y146-V243 HydrophobicContact CD2-CG2 4.22Å; Y146-V243 HydrophobicContact CE1-CG2 4.09Å; Y146-V243 HydrophobicContact CG-CG2 3.71Å; Y146-L246 HydrophobicContact CD1-CD1 4.18Å; Y146-L246 HydrophobicContact CE1-CD1 3.84Å; Y146-I253 PolarHBondContact OH-N 3.35Å; Y146-I253 PolarHBondContact OH-O 2.73Å
147	S	88.6	Confident	83.6	Confident	57 Å²	57	37.8 Å²	37.8	40%	0.399	20%	0.198	S	C	.	.	H	α-helix	trans	-67.5	-39.3	175.4	80.3	0	0	0	0	111.7	D143 D144 F145 T150 Y151	D143-S147 WeakPolarHBondContact O-CB 3.47Å; D143-S147 PolarHBondContact O-N 2.89Å; D144-S147 WeakPolarHBondContact CA-OG 2.99Å; D144-S147 PolarHBondContact O-N 3.43Å; D144-S147 PolarHBondContact O-OG 2.83Å; F145-S147 VanDerWaalsContact C-N 3.34Å; F145-S147 PolarHBondContact O-N 3.2Å; S147-T150 PolarHBondContact O-N 3.4Å; S147-Y151 VanDerWaalsContact O-CB 3.27Å; S147-Y151 WeakPolarHBondContact O-CB 3.28Å; S147-Y151 PolarHBondContact O-N 3.42Å
148	H	90.6	Very high	81.6	Confident	27 Å²	27	38.9 Å²	38.9	13%	0.125	22%	0.218	C	C	.	.	H	α-helix	trans	-69.2	-41.9	176.2	-72.8	63	0	0	0	111.8	P119 Y137 I139 D144 F145 T150 Y151 A152 F307	P119-H148 HydrophobicContact CG-CB 4.42Å; P119-H148 WeakPolarHBondContact CG-CD2 3.36Å; Y137-H148 AromaticContact CZ-NE2 3.99Å; Y137-H148 PolarHBondContact OH-CD2 3.34Å; Y137-H148 VanDerWaalsContact OH-CD2 3.31Å; Y137-H148 PolarHBondContact OH-NE2 3.47Å; I139-H148 HydrophobicContact CD1-CB 3.74Å; I139-H148 VanDerWaalsContact CD1-CD2 3.49Å; I139-H148 WeakPolarHBondContact CD1-CD2 3.49Å; D144-H148 PolarHBondContact O-N 3.12Å; D144-H148 PolarHBondContact O-ND1 3.05Å; F145-H148 PolarHBondContact O-N 3.2Å; H148-T150 VanDerWaalsContact C-N 3.31Å; H148-T150 PolarHBondContact O-N 2.87Å; H148-Y151 PolarHBondContact O-N 2.79Å; H148-A152 PolarHBondContact O-N 3.06Å; H148-F307 HydrophobicContact CB-CE1 3.86Å; H148-F307 HydrophobicContact CB-CZ 4.2Å
149	L	89.2	Confident	79.4	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-60.9	-42.6	171.8	-74	-178.1	0	0	0	111.6	F145 Y146 V153 I242 L246 V276 L278 F307	F145-L149 HydrophobicContact CD1-CD1 4.09Å; F145-L149 HydrophobicContact CE1-CD1 3.36Å; F145-L149 HydrophobicContact CE1-CG 4.22Å; F145-L149 HydrophobicContact CE2-CD1 4.24Å; F145-L149 HydrophobicContact CE2-CG 4.37Å; F145-L149 HydrophobicContact CZ-CD1 3.46Å; F145-L149 VanDerWaalsContact CZ-CD1 3.46Å; F145-L149 HydrophobicContact CZ-CG 4.07Å; F145-L149 WeakPolarHBondContact O-CG 3.37Å; F145-L149 PolarHBondContact O-N 3.28Å; Y146-L149 HydrophobicContact CD1-CD1 4.37Å; L149-V153 WeakPolarHBondContact O-CG2 3.24Å; L149-V153 PolarHBondContact O-N 3.23Å; L149-I242 HydrophobicContact CB-CG2 3.96Å; L149-L246 HydrophobicContact CD1-CD1 4.11Å; L149-V276 HydrophobicContact CD2-CG1 4.29Å; L149-L278 HydrophobicContact CD2-CD1 3.75Å; L149-L278 HydrophobicContact CD2-CD2 4.24Å; L149-L278 HydrophobicContact CD2-CG 4.03Å; L149-F307 HydrophobicContact CD2-CD2 4.05Å; L149-F307 HydrophobicContact CD2-CE2 3.53Å; L149-F307 HydrophobicContact CD2-CZ 3.9Å; L149-F307 HydrophobicContact CG-CZ 4.48Å
150	T	87.4	Confident	77.2	Confident	10 Å²	10	52.1 Å²	52.1	6%	0.061	28%	0.284	C	S	.	.	H	α-helix	trans	-63	-50.1	177	-58.2	0	0	0	0	109.6	Y146 S147 H148 A152 V153 V154 F240 I242	Y146-T150 VanDerWaalsContact O-CB 3.28Å; Y146-T150 WeakPolarHBondContact O-CB 3.21Å; Y146-T150 PolarHBondContact O-N 3.22Å; Y146-T150 PolarHBondContact O-OG1 2.94Å; S147-T150 PolarHBondContact O-N 3.4Å; H148-T150 VanDerWaalsContact C-N 3.31Å; H148-T150 PolarHBondContact O-N 2.87Å; T150-A152 PolarHBondContact O-N 3.14Å; T150-V153 CarbonylContact O-C 3.35Å; T150-V153 WeakPolarHBondContact O-CA 3.27Å; T150-V153 PolarHBondContact O-N 3.47Å; T150-V154 CarbonylContact C-O 3.46Å; T150-V154 CarbonylContact O-C 3.37Å; T150-V154 PolarHBondContact O-N 3.43Å; T150-F240 HydrophobicContact CG2-CD1 3.9Å; T150-F240 HydrophobicContact CG2-CE1 4.21Å; T150-F240 WeakPolarHBondContact CG2-O 3.36Å; T150-I242 WeakPolarHBondContact OG1-CG2 3.31Å; T150-I242 PolarHBondContact OG1-N 3.07Å
151	Y	86.2	Confident	75.3	Confident	35 Å²	35	48.3 Å²	48.3	14%	0.137	28%	0.279	C	S	.	.	H	α-helix	trans	-54.9	-44.8	180	-175.8	-93.5	0	0	0	113.5	P119 S147 H148 V153 Q155 Q169	P119-Y151 HydrophobicContact CB-CD1 3.75Å; P119-Y151 HydrophobicContact CB-CD2 4.03Å; P119-Y151 HydrophobicContact CB-CE1 3.74Å; P119-Y151 HydrophobicContact CB-CE2 4.03Å; P119-Y151 HydrophobicContact CB-CG 3.88Å; P119-Y151 HydrophobicContact CG-CD1 3.96Å; P119-Y151 HydrophobicContact CG-CE1 4.34Å; P119-Y151 HydrophobicContact CG-CG 4.17Å; S147-Y151 VanDerWaalsContact O-CB 3.27Å; S147-Y151 WeakPolarHBondContact O-CB 3.28Å; S147-Y151 PolarHBondContact O-N 3.42Å; H148-Y151 PolarHBondContact O-N 2.79Å; Y151-V153 PolarHBondContact O-N 3.28Å; Y151-Q155 HydrophobicContact CD2-CB 4.28Å; Y151-Q155 HydrophobicContact CD2-CG 4Å; Y151-Q155 HydrophobicContact CE2-CB 4.5Å; Y151-Q155 HydrophobicContact CE2-CG 4.08Å; Y151-Q169 PolarHBondContact OH-NE2 3.32Å
152	A	85.4	Confident	73.3	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.4	-28.9	177.6	0	0	0	0	0	112.9	H148 T150 L278 I305	H148-A152 PolarHBondContact O-N 3.06Å; T150-A152 PolarHBondContact O-N 3.14Å; A152-L278 HydrophobicContact CB-CD1 3.72Å; A152-I305 HydrophobicContact CB-CD1 3.85Å
153	V	82.5	Confident	71.3	Confident	1 Å²	1	62 Å²	62	1%	0.006	33%	0.334	C	S	.	.	H	α-helix	trans	-89.3	-57.9	179.1	178.9	0	0	0	0	111	L149 T150 Y151 Y171 M196 I228 L230 F240 I242	L149-V153 WeakPolarHBondContact O-CG2 3.24Å; L149-V153 PolarHBondContact O-N 3.23Å; T150-V153 CarbonylContact O-C 3.35Å; T150-V153 WeakPolarHBondContact O-CA 3.27Å; T150-V153 PolarHBondContact O-N 3.47Å; Y151-V153 PolarHBondContact O-N 3.28Å; V153-Y171 HydrophobicContact CG1-CE2 4.12Å; V153-M196 HydrophobicContact CG2-CE 4.46Å; V153-M196 HydrophobicContact CG2-SD 3.89Å; V153-I228 HydrophobicContact CG1-CG2 4.1Å; V153-I228 HydrophobicContact CG2-CD1 4.21Å; V153-L230 HydrophobicContact CG1-CD1 4.19Å; V153-F240 HydrophobicContact CG1-CE1 4.19Å; V153-F240 HydrophobicContact CG1-CZ 4.32Å; V153-I242 HydrophobicContact CG1-CD1 4.41Å; V153-I242 HydrophobicContact CG2-CD1 4.24Å
154	V	74.9	Confident	69	Low	1 Å²	1	59.3 Å²	59.3	1%	0.006	33%	0.328	C	S	.	.			trans	-150.2	128.3	-178.1	171.5	0	0	0	0	109.3	T150 P156 Y171 L230 W235 F240	T150-V154 CarbonylContact C-O 3.46Å; T150-V154 CarbonylContact O-C 3.37Å; T150-V154 PolarHBondContact O-N 3.43Å; V154-P156 WeakPolarHBondContact O-CD 3.39Å; V154-Y171 HydrophobicContact CG2-CD2 3.96Å; V154-Y171 HydrophobicContact CG2-CE2 4.45Å; V154-L230 HydrophobicContact CG2-CD1 3.42Å; V154-L230 VanDerWaalsContact CG2-CD1 3.42Å; V154-W235 HydrophobicContact CG1-CB 4.3Å; V154-W235 WeakPolarHBondContact CG1-O 3.28Å; V154-W235 HydrophobicContact CG2-CB 3.56Å; V154-F240 HydrophobicContact CB-CD1 3.65Å; V154-F240 HydrophobicContact CB-CE1 3.95Å; V154-F240 HydrophobicContact CB-CG 4.34Å; V154-F240 HydrophobicContact CG1-CB 4.33Å; V154-F240 HydrophobicContact CG1-CD1 4.01Å; V154-F240 HydrophobicContact CG1-CG 4.3Å; V154-F240 HydrophobicContact CG2-CD1 4.25Å; V154-F240 HydrophobicContact CG2-CE1 4.26Å
155	Q	61.3	Low	66.6	Low	44 Å²	44	59.1 Å²	59.1	21%	0.206	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-84.9	122.4	169.6	-172.3	176	-34.3	0	0	111	Y151 V157 L167	Y151-Q155 HydrophobicContact CD2-CB 4.28Å; Y151-Q155 HydrophobicContact CD2-CG 4Å; Y151-Q155 HydrophobicContact CE2-CB 4.5Å; Y151-Q155 HydrophobicContact CE2-CG 4.08Å; Q155-V157 PolarHBondContact O-N 2.98Å; Q155-L167 WeakPolarHBondContact CB-O 3.49Å; Q155-L167 PolarHBondContact OE1-O 3.18Å
156	P	53.9	Low	64	Low	59 Å²	59	64.3 Å²	64.3	38%	0.383	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-72.6	120.2	167.2	27.8	-30.2	0	0	0	109.4	V154 E238	V154-P156 WeakPolarHBondContact O-CD 3.39Å; P156-E238 VanDerWaalsContact CB-O 3.25Å; P156-E238 WeakPolarHBondContact CB-O 3.4Å
157	V	52.2	Low	62.1	Low	45 Å²	45	65.9 Å²	65.9	27%	0.273	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-98.1	123.5	174.9	-175.9	0	0	0	0	108.7	Q155 C161	Q155-V157 PolarHBondContact O-N 2.98Å; V157-C161 HydrophobicContact CG1-CB 3.89Å
158	G	49.6	Very low	60.5	Low	51 Å²	51	64.7 Å²	64.7	53%	0.526	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-71.8	148.7	171.3	0	0	0	0	0	112.2	L160 C161	G158-L160 PolarHBondContact O-N 3.12Å; G158-C161 PolarHBondContact O-N 3.35Å
159	I	47.7	Very low	59.4	Low	121 Å²	121	63.5 Å²	63.5	62%	0.621	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-50.4	-26.1	-174.1	-69.1	161.5	0	0	0	114.7	E238	I159-E238 WeakPolarHBondContact CG1-OE2 3.24Å
160	L	46.8	Very low	58.7	Low	180 Å²	180	63.5 Å²	63.5	94%	0.942	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-79.7	-13.4	-179.7	-86.3	148.6	0	0	0	114.8	G158	G158-L160 PolarHBondContact O-N 3.12Å
161	C	50.5	Low	58	Low	71 Å²	71	63.3 Å²	63.3	48%	0.48	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-101.2	28.9	-176.7	-121.9	0	0	0	0	113.8	V157 G158 L163	V157-C161 HydrophobicContact CG1-CB 3.89Å; G158-C161 PolarHBondContact O-N 3.35Å; C161-L163 PolarHBondContact O-N 3.24Å
162	R	47.5	Very low	57.1	Low	189 Å²	189	64.9 Å²	64.9	71%	0.713	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-7.3	177	-74.2	-174.2	-179.1	-168.9	2.2	114.4	E238	R162-E238 IonicContact NH2-OE1 3.49Å; R162-E238 PolarHBondContact NH2-OE1 3.04Å
163	L	45.4	Very low	56.7	Low	180 Å²	180	64.9 Å²	64.9	94%	0.942	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	-2.1	-176.2	-71.6	165.2	0	0	0	114.4	C161	C161-L163 PolarHBondContact O-N 3.24Å
164	A	39.5	Very low	56	Low	64 Å²	64	69.3 Å²	69.3	53%	0.529	39%	0.388	S	S	.	.	S	Bend	trans	-148.5	127.7	174.8	0	0	0	0	0	111
165	A	39.5	Very low	55.8	Low	74 Å²	74	74 Å²	74	61%	0.612	42%	0.416	S	S	*	.			trans	66.3	95	165.5	0	0	0	0	0	118.4	L167	A165-L167 HydrophobicContact CB-CD1 4.36Å
166	N	36.9	Very low	56.2	Low	115 Å²	115	73.9 Å²	73.9	62%	0.615	42%	0.419	S	S	*	.			trans	-48.1	133.4	150.5	-61	-68.6	0	0	0	110.9	T176	N166-T176 HydrophobicContact CB-CG2 3.89Å
167	L	48.9	Very low	57.3	Low	58 Å²	58	72.2 Å²	72.2	30%	0.304	41%	0.408	S	S	.	.			trans	-158.8	57.3	157.2	-85.3	128.5	0	0	0	112	Q155 A165 Q169	Q155-L167 WeakPolarHBondContact CB-O 3.49Å; Q155-L167 PolarHBondContact OE1-O 3.18Å; A165-L167 HydrophobicContact CB-CD1 4.36Å; L167-Q169 HydrophobicContact CD2-CG 4.5Å
168	I	55.1	Low	58.8	Low	33 Å²	33	81 Å²	81	17%	0.169	44%	0.443	C	S	.	.			trans	-81.9	116.7	158.7	-59.6	168.1	0	0	0	105.8	K172	I168-K172 HydrophobicContact CB-CB 3.99Å; I168-K172 HydrophobicContact CG2-CB 4.16Å; I168-K172 WeakPolarHBondContact O-CB 3.39Å
169	Q	65.8	Low	60.3	Low	2 Å²	2	79.8 Å²	79.8	1%	0.009	43%	0.431	C	S	.	.			trans	-92.5	-66	-159.6	-60.9	-149.7	-8	0	0	114.7	I116 F117 Y151 L167 L173	I116-Q169 VanDerWaalsContact C-CD 3.43Å; I116-Q169 HydrophobicContact CG2-CB 4.12Å; I116-Q169 HydrophobicContact CG2-CG 4.33Å; I116-Q169 VanDerWaalsContact CG2-OE1 3.28Å; I116-Q169 PolarHBondContact O-NE2 2.99Å; I116-Q169 PolarHBondContact O-OE1 2.76Å; F117-Q169 HydrophobicContact CD1-CB 4.41Å; F117-Q169 HydrophobicContact CE1-CB 4.31Å; F117-Q169 VanDerWaalsContact N-OE1 3.11Å; Y151-Q169 PolarHBondContact OH-NE2 3.32Å; L167-Q169 HydrophobicContact CD2-CG 4.5Å; Q169-L173 WeakPolarHBondContact O-CA 3.39Å; Q169-L173 PolarHBondContact O-N 2.81Å
170	Y	75.9	Confident	62.1	Low	1 Å²	1	78 Å²	78	0%	0.004	42%	0.423	C	S	.	.	S	Bend	trans	-67.1	-47.2	-178.1	-177.2	-104.6	0	0	0	111.8	F117 K172 Y183 P194 M196 F280	F117-Y170 HydrophobicContact CE1-CD2 4.44Å; Y170-K172 PolarHBondContact O-N 3.32Å; Y170-Y183 HydrophobicContact CD2-CE1 4.25Å; Y170-Y183 HydrophobicContact CE1-CD1 4.48Å; Y170-Y183 HydrophobicContact CE1-CE1 4.19Å; Y170-Y183 HydrophobicContact CE2-CD1 4.03Å; Y170-Y183 AromaticContact CE2-CE1 3.88Å; Y170-Y183 HydrophobicContact CE2-CE1 3.88Å; Y170-Y183 AromaticContact CZ-CD1 3.85Å; Y170-Y183 AromaticContact CZ-CE1 3.86Å; Y170-Y183 WeakPolarHBondContact O-CE1 3.3Å; Y170-Y183 PolarHBondContact O-OH 3.31Å; Y170-P194 WeakPolarHBondContact CE1-O 3.33Å; Y170-P194 PolarHBondContact OH-O 3.3Å; Y170-M196 HydrophobicContact CD1-CE 4.22Å; Y170-M196 HydrophobicContact CD2-CE 3.73Å; Y170-M196 HydrophobicContact CE2-CE 4.43Å; Y170-M196 HydrophobicContact CG-CE 3.61Å; Y170-F280 HydrophobicContact CD2-CB 4.47Å; Y170-F280 HydrophobicContact CD2-CD1 4.45Å; Y170-F280 AromaticContact CD2-CD2 3.93Å; Y170-F280 HydrophobicContact CD2-CD2 3.93Å; Y170-F280 HydrophobicContact CD2-CE2 4.25Å; Y170-F280 HydrophobicContact CD2-CG 4.03Å; Y170-F280 HydrophobicContact CE2-CB 3.69Å; Y170-F280 HydrophobicContact CE2-CD1 4.45Å; Y170-F280 AromaticContact CE2-CD2 3.6Å; Y170-F280 HydrophobicContact CE2-CD2 3.6Å; Y170-F280 HydrophobicContact CE2-CE2 4.34Å; Y170-F280 AromaticContact CE2-CG 3.66Å; Y170-F280 HydrophobicContact CE2-CG 3.66Å
171	Y	72.1	Confident	64.1	Low	6 Å²	6	70.1 Å²	70.1	2%	0.024	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-6	-173.5	-73.5	-84.7	0	0	0	115.8	V153 V154 Y193 I228 L230 W235	V153-Y171 HydrophobicContact CG1-CE2 4.12Å; V154-Y171 HydrophobicContact CG2-CD2 3.96Å; V154-Y171 HydrophobicContact CG2-CE2 4.45Å; Y171-Y193 AromaticContact CD1-CD1 3.98Å; Y171-Y193 HydrophobicContact CD1-CD1 3.98Å; Y171-Y193 AromaticContact CD1-CD2 3.91Å; Y171-Y193 HydrophobicContact CD1-CD2 3.91Å; Y171-Y193 HydrophobicContact CD1-CE1 4.46Å; Y171-Y193 HydrophobicContact CD1-CE2 4.44Å; Y171-Y193 AromaticContact CD1-CG 3.66Å; Y171-Y193 HydrophobicContact CD1-CG 3.66Å; Y171-Y193 HydrophobicContact CE1-CD2 4.27Å; Y171-Y193 AromaticContact CE1-CG 3.99Å; Y171-Y193 HydrophobicContact CE1-CG 3.99Å; Y171-Y193 VanDerWaalsContact O-CE1 3.32Å; Y171-Y193 WeakPolarHBondContact O-CE1 3.5Å; Y171-Y193 PolarHBondContact O-OH 3.45Å; Y171-I228 PolarHBondContact OH-O 3.12Å; Y171-L230 HydrophobicContact CD2-CD1 3.9Å; Y171-L230 HydrophobicContact CE1-CB 4.31Å; Y171-L230 HydrophobicContact CE2-CB 4.21Å; Y171-L230 HydrophobicContact CE2-CD1 3.41Å; Y171-L230 VanDerWaalsContact CE2-CD1 3.41Å; Y171-L230 HydrophobicContact CE2-CG 3.73Å; Y171-L230 PolarHBondContact OH-N 3.02Å; Y171-L230 VanDerWaalsContact OH-N 3.08Å; Y171-W235 HydrophobicContact CD1-CD2 4.1Å; Y171-W235 AromaticContact CD1-CE3 3.13Å; Y171-W235 HydrophobicContact CD1-CE3 3.13Å; Y171-W235 HydrophobicContact CD1-CH2 4.1Å; Y171-W235 AromaticContact CD1-CZ3 3.15Å; Y171-W235 HydrophobicContact CD1-CZ3 3.15Å; Y171-W235 HydrophobicContact CD2-CE3 4.11Å; Y171-W235 AromaticContact CE1-CE3 3.52Å; Y171-W235 HydrophobicContact CE1-CE3 3.52Å; Y171-W235 AromaticContact CE1-CZ3 3.39Å; Y171-W235 HydrophobicContact CE1-CZ3 3.39Å; Y171-W235 HydrophobicContact CE2-CE3 4.44Å; Y171-W235 HydrophobicContact CG-CD2 4.07Å; Y171-W235 AromaticContact CG-CE3 3.45Å; Y171-W235 HydrophobicContact CG-CE3 3.45Å; Y171-W235 VanDerWaalsContact CG-CE3 3.45Å; Y171-W235 AromaticContact CG-CZ3 3.97Å; Y171-W235 HydrophobicContact CG-CZ3 3.97Å
172	K	67.6	Low	65.8	Low	68 Å²	68	71.7 Å²	71.7	30%	0.296	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.2	19.8	177.7	-155.2	-179.5	175.1	-178.5	0	112.5	I168 Y170 N174 V175 T176	I168-K172 HydrophobicContact CB-CB 3.99Å; I168-K172 HydrophobicContact CG2-CB 4.16Å; I168-K172 WeakPolarHBondContact O-CB 3.39Å; Y170-K172 PolarHBondContact O-N 3.32Å; K172-N174 PolarHBondContact O-N 3.19Å; K172-N174 VanDerWaalsContact O-N 3.12Å; K172-V175 HydrophobicContact CD-CB 4.46Å; K172-V175 HydrophobicContact CG-CB 3.86Å; K172-V175 HydrophobicContact CG-CG2 4Å; K172-V175 PolarHBondContact O-N 3.23Å; K172-T176 HydrophobicContact CB-CG2 4.21Å; K172-T176 HydrophobicContact CD-CG2 3.93Å; K172-T176 HydrophobicContact CG-CG2 4.02Å; K172-T176 PolarHBondContact O-N 3.41Å; K172-T176 PolarHBondContact O-OG1 2.87Å
173	L	77	Confident	67.6	Low	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-51.8	-38.5	-177.5	-161.8	80.7	0	0	0	112	I116 F117 Q169 V175 T177 Y181 Y183 L282	I116-L173 HydrophobicContact CG2-CD1 4.11Å; F117-L173 HydrophobicContact CE2-CD1 4.2Å; F117-L173 HydrophobicContact CZ-CD1 3.8Å; Q169-L173 WeakPolarHBondContact O-CA 3.39Å; Q169-L173 PolarHBondContact O-N 2.81Å; L173-V175 VanDerWaalsContact C-N 3.32Å; L173-V175 PolarHBondContact O-N 2.87Å; L173-T177 HydrophobicContact CD1-CG2 3.66Å; L173-T177 HydrophobicContact CG-CG2 3.93Å; L173-T177 WeakPolarHBondContact O-CB 3.27Å; L173-T177 VanDerWaalsContact O-CG2 3.31Å; L173-T177 WeakPolarHBondContact O-CG2 3.42Å; L173-T177 PolarHBondContact O-N 2.81Å; L173-T177 PolarHBondContact O-OG1 3.42Å; L173-Y181 HydrophobicContact CD2-CD2 4.45Å; L173-Y181 HydrophobicContact CD2-CG 4.15Å; L173-Y183 HydrophobicContact CB-CE1 4.42Å; L173-Y183 WeakPolarHBondContact CB-OH 3.03Å; L173-Y183 PolarHBondContact N-OH 2.87Å; L173-L282 HydrophobicContact CD2-CD1 3.55Å; L173-L282 HydrophobicContact CD2-CD2 3.45Å; L173-L282 VanDerWaalsContact CD2-CD2 3.45Å; L173-L282 HydrophobicContact CD2-CG 4.11Å
174	N	68.8	Low	69.2	Low	93 Å²	93	57.6 Å²	57.6	50%	0.497	32%	0.319	S	S	.	.	H	α-helix	trans	-68.6	-20.6	179.1	61.9	-19.3	0	0	0	115	K172	K172-N174 PolarHBondContact O-N 3.19Å; K172-N174 VanDerWaalsContact O-N 3.12Å
175	V	69.4	Low	71	Confident	99 Å²	99	57.5 Å²	57.5	60%	0.6	31%	0.305	S	S	*	.	H	α-helix	trans	-107.2	-30.5	-179.3	-169.4	0	0	0	0	112.1	K172 L173	K172-V175 HydrophobicContact CD-CB 4.46Å; K172-V175 HydrophobicContact CG-CB 3.86Å; K172-V175 HydrophobicContact CG-CG2 4Å; K172-V175 PolarHBondContact O-N 3.23Å; L173-V175 VanDerWaalsContact C-N 3.32Å; L173-V175 PolarHBondContact O-N 2.87Å
176	T	69.8	Low	72.3	Confident	42 Å²	42	64.6 Å²	64.6	26%	0.258	32%	0.322	S	S	.	.	H	α-helix	trans	-93.4	-23.4	-173.1	56.3	0	0	0	0	113.8	N166 K172	N166-T176 HydrophobicContact CB-CG2 3.89Å; K172-T176 HydrophobicContact CB-CG2 4.21Å; K172-T176 HydrophobicContact CD-CG2 3.93Å; K172-T176 HydrophobicContact CG-CG2 4.02Å; K172-T176 PolarHBondContact O-N 3.41Å; K172-T176 PolarHBondContact O-OG1 2.87Å
177	T	78.3	Confident	73.6	Confident	25 Å²	25	68 Å²	68	15%	0.153	33%	0.326	C	S	.	.			trans	-94.2	144.1	-174.9	72.2	0	0	0	0	111.5	I116 L173 G179	I116-T177 HydrophobicContact CD1-CG2 3.52Å; I116-T177 HydrophobicContact CG1-CG2 4.14Å; L173-T177 HydrophobicContact CD1-CG2 3.66Å; L173-T177 HydrophobicContact CG-CG2 3.93Å; L173-T177 WeakPolarHBondContact O-CB 3.27Å; L173-T177 VanDerWaalsContact O-CG2 3.31Å; L173-T177 WeakPolarHBondContact O-CG2 3.42Å; L173-T177 PolarHBondContact O-N 2.81Å; L173-T177 PolarHBondContact O-OG1 3.42Å; T177-G179 PolarHBondContact OG1-O 3.21Å
178	F	82.6	Confident	74.1	Confident	228 Å²	228	73.9 Å²	73.9	100%	1	35%	0.35	S	S	*	.	S	Bend	trans	-72.3	-20.3	169.2	-73.8	-74.8	0	0	0	112.2
179	G	81.5	Confident	74.3	Confident	27 Å²	27	76.4 Å²	76.4	28%	0.278	36%	0.363	S	S	.	.	S	Bend	trans	-74.1	148.1	177.4	0	0	0	0	0	111.6	T177 Y181	T177-G179 PolarHBondContact OG1-O 3.21Å; G179-Y181 PolarHBondContact O-N 2.91Å
180	N	86.2	Confident	73.8	Confident	84 Å²	84	84 Å²	84	45%	0.449	40%	0.399	S	S	.	.			trans	-81.6	52.6	173.6	60.8	-9.8	0	0	0	111.5	T284 I285	N180-T284 PolarHBondContact OD1-OG1 3.35Å; N180-I285 PolarHBondContact ND2-N 3.39Å; N180-I285 PolarHBondContact ND2-O 3.01Å
181	Y	87.6	Confident	73	Confident	14 Å²	14	92.1 Å²	92.1	6%	0.055	43%	0.431	C	S	.	.			trans	-81.5	124.1	178.4	-56.4	-66.6	0	0	0	110.6	S112 L113 I116 L173 G179 L282 K283 L301	S112-Y181 PolarHBondContact OG-OH 3.2Å; L113-Y181 HydrophobicContact CD2-CE1 4.44Å; I116-Y181 HydrophobicContact CD1-CE2 4.28Å; L173-Y181 HydrophobicContact CD2-CD2 4.45Å; L173-Y181 HydrophobicContact CD2-CG 4.15Å; G179-Y181 PolarHBondContact O-N 2.91Å; Y181-L282 HydrophobicContact CD1-CD1 4.35Å; Y181-L282 HydrophobicContact CG-CD1 4.45Å; Y181-K283 CarbonylContact C-O 3.56Å; Y181-K283 WeakPolarHBondContact CA-O 3.43Å; Y181-L301 HydrophobicContact CD1-CD1 4.24Å; Y181-L301 HydrophobicContact CE1-CD1 3.76Å
182	E	86.3	Confident	72.8	Confident	103 Å²	103	96.5 Å²	96.5	48%	0.481	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	151.1	174.4	-167.9	175.7	-175.9	0	0	109.8	L282 K283	E182-L282 CarbonylContact O-C 3.59Å; E182-L282 WeakPolarHBondContact O-CA 3.36Å; E182-K283 PolarHBondContact N-O 3.18Å; E182-K283 PolarHBondContact O-N 3.4Å
183	Y	85.6	Confident	73.2	Confident	20 Å²	20	96 Å²	96	8%	0.078	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	146.3	176.5	-55.2	-79.6	0	0	0	111.5	Y170 L173 R185 Y193 P194 L282	Y170-Y183 HydrophobicContact CD2-CE1 4.25Å; Y170-Y183 HydrophobicContact CE1-CD1 4.48Å; Y170-Y183 HydrophobicContact CE1-CE1 4.19Å; Y170-Y183 HydrophobicContact CE2-CD1 4.03Å; Y170-Y183 AromaticContact CE2-CE1 3.88Å; Y170-Y183 HydrophobicContact CE2-CE1 3.88Å; Y170-Y183 AromaticContact CZ-CD1 3.85Å; Y170-Y183 AromaticContact CZ-CE1 3.86Å; Y170-Y183 WeakPolarHBondContact O-CE1 3.3Å; Y170-Y183 PolarHBondContact O-OH 3.31Å; L173-Y183 HydrophobicContact CB-CE1 4.42Å; L173-Y183 WeakPolarHBondContact CB-OH 3.03Å; L173-Y183 PolarHBondContact N-OH 2.87Å; Y183-R185 VanDerWaalsContact C-N 3.28Å; Y183-R185 PolarHBondContact O-N 3.25Å; Y183-Y193 HydrophobicContact CD2-CD1 4.05Å; Y183-Y193 HydrophobicContact CD2-CE1 4.42Å; Y183-Y193 HydrophobicContact CE1-CD1 4.31Å; Y183-Y193 AromaticContact CE2-CD1 3.61Å; Y183-Y193 HydrophobicContact CE2-CD1 3.61Å; Y183-Y193 AromaticContact CE2-CE1 3.67Å; Y183-Y193 HydrophobicContact CE2-CE1 3.67Å; Y183-Y193 AromaticContact CZ-CD1 3.76Å; Y183-Y193 AromaticContact CZ-CE1 3.96Å; Y183-P194 HydrophobicContact CD1-CG 4.37Å; Y183-P194 HydrophobicContact CG-CG 4.26Å; Y183-L282 HydrophobicContact CD1-CD2 4.19Å
184	N	79.6	Confident	73.4	Confident	54 Å²	54	97.3 Å²	97.3	29%	0.289	46%	0.46	S	S	.	.			trans	-72.3	82	175.8	-175.2	16.3	0	0	0	111.9	S281 K283	N184-S281 WeakPolarHBondContact CB-O 3.49Å; N184-S281 PolarHBondContact N-O 2.95Å; N184-S281 VanDerWaalsContact N-O 3.16Å; N184-K283 WeakPolarHBondContact OD1-CE 3.25Å; N184-K283 PolarHBondContact OD1-NZ 3.35Å
185	R	76.9	Confident	74	Confident	62 Å²	62	95.5 Å²	95.5	23%	0.234	45%	0.453	C	S	.	.			trans	-107.7	150.2	-174.3	-152	172	-173.7	-147.2	-20.6	113.2	Y183 R187 D189 D192	Y183-R185 VanDerWaalsContact C-N 3.28Å; Y183-R185 PolarHBondContact O-N 3.25Å; R185-R187 WeakPolarHBondContact CD-O 3.47Å; R185-R187 WeakPolarHBondContact CG-O 3.37Å; R185-R187 PolarHBondContact NE-O 3.33Å; R185-R187 PolarHBondContact NH1-O 3.49Å; R185-R187 PolarHBondContact NH2-O 3.22Å; R185-D189 VanDerWaalsContact CZ-N 3.26Å; R185-D189 VanDerWaalsContact NH1-C 3.29Å; R185-D189 VanDerWaalsContact NH1-N 3.16Å; R185-D189 PolarHBondContact NH1-O 2.94Å; R185-D189 VanDerWaalsContact NH2-C 3.29Å; R185-D189 PolarHBondContact NH2-O 3.44Å; R185-D192 PolarHBondContact NE-O 2.88Å; R185-D192 PolarHBondContact NH2-O 3.03Å; R185-D192 IonicContact NH2-OD2 3.78Å
186	K	67	Low	74.8	Confident	223 Å²	223	90.9 Å²	90.9	97%	0.97	43%	0.425	S	S	*	.	S	Bend	trans	-99.9	-24.1	172.8	-70.3	-173.6	179.3	178.9	0	114.1
187	R	63.9	Low	75.8	Confident	185 Å²	185	91.7 Å²	91.7	70%	0.698	43%	0.428	S	S	*	.	S	Bend	trans	-142.4	145.1	-174.7	-154.5	177.7	-134.6	-176.9	1.4	110.7	R185 D189	R185-R187 WeakPolarHBondContact CD-O 3.47Å; R185-R187 WeakPolarHBondContact CG-O 3.37Å; R185-R187 PolarHBondContact NE-O 3.33Å; R185-R187 PolarHBondContact NH1-O 3.49Å; R185-R187 PolarHBondContact NH2-O 3.22Å; R187-D189 PolarHBondContact O-N 2.99Å
188	F	59.5	Low	76.5	Confident	182 Å²	182	90.7 Å²	90.7	80%	0.798	42%	0.421	S	S	*	.			trans	-88.9	45	-175.7	-82.9	-87.3	0	0	0	113.9	E190	F188-E190 PolarHBondContact O-N 3.4Å
189	D	59.1	Low	77.1	Confident	86 Å²	86	79.9 Å²	79.9	46%	0.46	37%	0.374	S	S	.	.			trans	-74.7	111	174.3	-52.6	-37.3	0	0	0	110.2	R185 R187 Y191 D192	R185-D189 VanDerWaalsContact CZ-N 3.26Å; R185-D189 VanDerWaalsContact NH1-C 3.29Å; R185-D189 VanDerWaalsContact NH1-N 3.16Å; R185-D189 PolarHBondContact NH1-O 2.94Å; R185-D189 VanDerWaalsContact NH2-C 3.29Å; R185-D189 PolarHBondContact NH2-O 3.44Å; R187-D189 PolarHBondContact O-N 2.99Å; D189-Y191 PolarHBondContact O-N 2.67Å; D189-D192 PolarHBondContact O-N 2.89Å; D189-D192 VanDerWaalsContact O-N 3.11Å
190	E	56.2	Low	77.6	Confident	161 Å²	161	78.9 Å²	78.9	75%	0.752	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-12.9	-162.3	-153.8	165.5	-172.3	0	0	117.9	F188	F188-E190 PolarHBondContact O-N 3.4Å
191	Y	59.2	Low	77.9	Confident	173 Å²	173	76.3 Å²	76.3	68%	0.678	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.8	7.9	-176	-61	-76.1	0	0	0	116.4	D189	D189-Y191 PolarHBondContact O-N 2.67Å
192	D	67.5	Low	77.9	Confident	98 Å²	98	77.4 Å²	77.4	52%	0.524	35%	0.352	S	S	.	.			trans	-109.6	92.2	-176.7	179.5	49	0	0	0	111.7	R185 D189	R185-D192 PolarHBondContact NE-O 2.88Å; R185-D192 PolarHBondContact NH2-O 3.03Å; R185-D192 IonicContact NH2-OD2 3.78Å; D189-D192 PolarHBondContact O-N 2.89Å; D189-D192 VanDerWaalsContact O-N 3.11Å
193	Y	74.6	Confident	77.9	Confident	56 Å²	56	75.1 Å²	75.1	22%	0.22	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-77.9	135	173.6	-64.5	-99.5	0	0	0	109.5	Y171 Y183 W235	Y171-Y193 AromaticContact CD1-CD1 3.98Å; Y171-Y193 HydrophobicContact CD1-CD1 3.98Å; Y171-Y193 AromaticContact CD1-CD2 3.91Å; Y171-Y193 HydrophobicContact CD1-CD2 3.91Å; Y171-Y193 HydrophobicContact CD1-CE1 4.46Å; Y171-Y193 HydrophobicContact CD1-CE2 4.44Å; Y171-Y193 AromaticContact CD1-CG 3.66Å; Y171-Y193 HydrophobicContact CD1-CG 3.66Å; Y171-Y193 HydrophobicContact CE1-CD2 4.27Å; Y171-Y193 AromaticContact CE1-CG 3.99Å; Y171-Y193 HydrophobicContact CE1-CG 3.99Å; Y171-Y193 VanDerWaalsContact O-CE1 3.32Å; Y171-Y193 WeakPolarHBondContact O-CE1 3.5Å; Y171-Y193 PolarHBondContact O-OH 3.45Å; Y183-Y193 HydrophobicContact CD2-CD1 4.05Å; Y183-Y193 HydrophobicContact CD2-CE1 4.42Å; Y183-Y193 HydrophobicContact CE1-CD1 4.31Å; Y183-Y193 AromaticContact CE2-CD1 3.61Å; Y183-Y193 HydrophobicContact CE2-CD1 3.61Å; Y183-Y193 AromaticContact CE2-CE1 3.67Å; Y183-Y193 HydrophobicContact CE2-CE1 3.67Å; Y183-Y193 AromaticContact CZ-CD1 3.76Å; Y183-Y193 AromaticContact CZ-CE1 3.96Å; Y193-W235 AromaticContact CD2-CH2 3.36Å; Y193-W235 HydrophobicContact CD2-CH2 3.36Å; Y193-W235 HydrophobicContact CD2-CZ2 4.32Å; Y193-W235 AromaticContact CD2-CZ3 3.66Å; Y193-W235 HydrophobicContact CD2-CZ3 3.66Å; Y193-W235 AromaticContact CE2-CH2 3.1Å; Y193-W235 HydrophobicContact CE2-CH2 3.1Å; Y193-W235 AromaticContact CE2-CZ2 3.64Å; Y193-W235 HydrophobicContact CE2-CZ2 3.64Å; Y193-W235 AromaticContact CE2-CZ3 3.83Å; Y193-W235 HydrophobicContact CE2-CZ3 3.83Å; Y193-W235 HydrophobicContact CG-CH2 4.49Å; Y193-W235 HydrophobicContact CG-CZ3 4.49Å
194	P	81.5	Confident	77.8	Confident	28 Å²	28	79.8 Å²	79.8	18%	0.182	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-62	137	178.2	23.1	-28.7	0	0	0	110.1	Y170 Y183	Y170-P194 WeakPolarHBondContact CE1-O 3.33Å; Y170-P194 PolarHBondContact OH-O 3.3Å; Y183-P194 HydrophobicContact CD1-CG 4.37Å; Y183-P194 HydrophobicContact CG-CG 4.26Å
195	P	80.8	Confident	77.8	Confident	56 Å²	56	79.9 Å²	79.9	36%	0.364	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-61.8	141.8	-177.7	18.4	-28.2	0	0	0	112.2	T227 T229	P195-T227 HydrophobicContact CB-CG2 4.03Å; P195-T227 HydrophobicContact CG-CG2 4.06Å; P195-T229 HydrophobicContact CB-CG2 3.66Å; P195-T229 HydrophobicContact CG-CG2 4.26Å
196	M	87.3	Confident	77.7	Confident	1 Å²	1	76.9 Å²	76.9	1%	0.005	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	132.6	161.4	-174.6	-178.9	-67.2	0	0	108.6	V153 Y170 I228 L278 F280	V153-M196 HydrophobicContact CG2-CE 4.46Å; V153-M196 HydrophobicContact CG2-SD 3.89Å; Y170-M196 HydrophobicContact CD1-CE 4.22Å; Y170-M196 HydrophobicContact CD2-CE 3.73Å; Y170-M196 HydrophobicContact CE2-CE 4.43Å; Y170-M196 HydrophobicContact CG-CE 3.61Å; M196-I228 HydrophobicContact CB-CB 4.49Å; M196-I228 PolarHBondContact N-O 2.8Å; M196-I228 PolarHBondContact O-N 3.09Å; M196-L278 HydrophobicContact SD-CB 3.95Å; M196-L278 HydrophobicContact SD-CD1 4.14Å; M196-L278 HydrophobicContact SD-CD2 3.95Å; M196-L278 HydrophobicContact SD-CG 4.25Å; M196-F280 HydrophobicContact CE-CD1 3.67Å; M196-F280 HydrophobicContact CE-CE1 3.94Å; M196-F280 HydrophobicContact CE-CG 4.39Å; M196-F280 HydrophobicContact CG-CB 4.38Å; M196-F280 HydrophobicContact CG-CD1 4.07Å; M196-F280 HydrophobicContact SD-CD1 4.28Å
197	L	91.4	Very high	78	Confident	59 Å²	59	67.6 Å²	67.6	31%	0.309	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	124.8	176.1	-176.8	73.4	0	0	0	108.9	C225 T227 L278 M279	L197-C225 HydrophobicContact CD1-CB 4.16Å; L197-T227 HydrophobicContact CD1-CG2 4.2Å; L197-L278 WeakPolarHBondContact O-CA 3.38Å; L197-M279 HydrophobicContact CB-CB 4.29Å; L197-M279 HydrophobicContact CD2-SD 4.13Å; L197-M279 PolarHBondContact N-O 2.84Å; L197-M279 PolarHBondContact O-N 3.04Å
198	I	92.5	Very high	78.3	Confident	5 Å²	5	59.7 Å²	59.7	3%	0.026	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	131.3	168.5	-172.3	172.2	0	0	0	109.4	C225 S226 I228 L246 M251 V276 E277 L278	I198-C225 CarbonylContact O-C 3.58Å; I198-C225 VanDerWaalsContact O-CA 3.23Å; I198-C225 WeakPolarHBondContact O-CA 3.31Å; I198-S226 WeakPolarHBondContact CG2-O 3.15Å; I198-S226 WeakPolarHBondContact CG2-OG 3.24Å; I198-S226 PolarHBondContact N-O 3.18Å; I198-S226 PolarHBondContact O-N 2.99Å; I198-I228 HydrophobicContact CB-CD1 3.8Å; I198-I228 HydrophobicContact CB-CG1 4.32Å; I198-I228 HydrophobicContact CD1-CD1 4.42Å; I198-I228 HydrophobicContact CG2-CD1 3.8Å; I198-I228 HydrophobicContact CG2-CG1 3.82Å; I198-L246 HydrophobicContact CD1-CD2 3.62Å; I198-L246 HydrophobicContact CG2-CD2 4.46Å; I198-M251 HydrophobicContact CG2-SD 4.07Å; I198-V276 HydrophobicContact CD1-CG1 3.89Å; I198-V276 HydrophobicContact CG1-CG1 3.85Å; I198-E277 CarbonylContact C-O 3.58Å; I198-E277 WeakPolarHBondContact CA-O 3.38Å; I198-L278 HydrophobicContact CB-CD2 3.78Å; I198-L278 HydrophobicContact CD1-CD2 3.84Å; I198-L278 HydrophobicContact CG1-CD2 3.69Å
199	C	94.1	Very high	78.7	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.4	174.3	-70.7	0	0	0	0	110.1	Y201 N224 C225 V276 E277	C199-Y201 HydrophobicContact CB-CD2 4.46Å; C199-Y201 HydrophobicContact CB-CE2 3.76Å; C199-N224 WeakPolarHBondContact CA-O 3.18Å; C199-C225 HydrophobicContact CB-CB 4.19Å; C199-C225 WeakPolarHBondContact CB-SG 3.26Å; C199-C225 WeakPolarHBondContact SG-CB 3.28Å; C199-C225 CovalentContact SG-SG 2.05Å; C199-C225 PolarHBondContact SG-SG 3.48Å; C199-V276 WeakPolarHBondContact O-CA 3.46Å; C199-E277 HydrophobicContact CB-CB 4.47Å; C199-E277 PolarHBondContact N-O 3.07Å; C199-E277 PolarHBondContact O-N 3.2Å
200	L	92.6	Very high	79.1	Confident	7 Å²	7	56.5 Å²	56.5	4%	0.037	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.2	173.4	175.2	64.2	0	0	0	109.1	N224 M251 I253 F273 V276	L200-N224 PolarHBondContact N-O 2.87Å; L200-N224 PolarHBondContact O-N 3.24Å; L200-M251 HydrophobicContact CD2-CB 4.36Å; L200-I253 HydrophobicContact CD1-CD1 4.2Å; L200-I253 HydrophobicContact CD1-CG1 4.4Å; L200-F273 HydrophobicContact CD1-CB 3.84Å; L200-V276 HydrophobicContact CD1-CG2 3.54Å
201	Y	92.1	Very high	79.9	Confident	29 Å²	29	54.5 Å²	54.5	11%	0.114	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	124	173.5	-61.3	-104.9	0	0	0	108.6	C199 V221 L222 K223 L274 F275 E277	C199-Y201 HydrophobicContact CB-CD2 4.46Å; C199-Y201 HydrophobicContact CB-CE2 3.76Å; Y201-V221 HydrophobicContact CD1-CG1 4.11Å; Y201-L222 WeakPolarHBondContact CA-O 3.27Å; Y201-K223 HydrophobicContact CD1-CB 4.04Å; Y201-K223 HydrophobicContact CD1-CD 4.45Å; Y201-K223 HydrophobicContact CD1-CG 4.14Å; Y201-K223 HydrophobicContact CE1-CB 4Å; Y201-K223 HydrophobicContact CE1-CD 3.58Å; Y201-K223 HydrophobicContact CE1-CG 3.7Å; Y201-K223 WeakPolarHBondContact OH-CE 3.49Å; Y201-K223 PolarHBondContact OH-NZ 2.83Å; Y201-L274 PolarHBondContact O-N 3.36Å; Y201-F275 AromaticContact CD1-CE2 3.63Å; Y201-F275 HydrophobicContact CD1-CE2 3.63Å; Y201-F275 AromaticContact CD1-CZ 3.69Å; Y201-F275 HydrophobicContact CD1-CZ 3.69Å; Y201-F275 AromaticContact CD2-CD2 3.31Å; Y201-F275 HydrophobicContact CD2-CD2 3.31Å; Y201-F275 AromaticContact CD2-CE2 3.12Å; Y201-F275 HydrophobicContact CD2-CE2 3.12Å; Y201-F275 HydrophobicContact CD2-CG 4.3Å; Y201-F275 AromaticContact CD2-CZ 3.98Å; Y201-F275 HydrophobicContact CD2-CZ 3.98Å; Y201-F275 AromaticContact CE1-CE2 3.83Å; Y201-F275 HydrophobicContact CE1-CE2 3.83Å; Y201-F275 HydrophobicContact CE1-CZ 4.1Å; Y201-F275 AromaticContact CE2-CD2 3.78Å; Y201-F275 HydrophobicContact CE2-CD2 3.78Å; Y201-F275 AromaticContact CE2-CE2 3.37Å; Y201-F275 HydrophobicContact CE2-CE2 3.37Å; Y201-F275 HydrophobicContact CE2-CZ 4.38Å; Y201-F275 AromaticContact CG-CD2 3.72Å; Y201-F275 HydrophobicContact CG-CD2 3.72Å; Y201-F275 HydrophobicContact CG-CE1 4.35Å; Y201-F275 AromaticContact CG-CE2 3.24Å; Y201-F275 HydrophobicContact CG-CE2 3.24Å; Y201-F275 HydrophobicContact CG-CG 4.45Å; Y201-F275 AromaticContact CG-CZ 3.59Å; Y201-F275 HydrophobicContact CG-CZ 3.59Å; Y201-F275 AromaticContact CZ-CE2 3.69Å; Y201-F275 PolarHBondContact N-O 3.45Å; Y201-F275 PolarHBondContact O-N 3.32Å; Y201-E277 HydrophobicContact CE2-CB 4.44Å; Y201-E277 HydrophobicContact CE2-CG 4.16Å; Y201-E277 WeakPolarHBondContact CE2-OE2 3.13Å; Y201-E277 PolarHBondContact OH-OE2 3.46Å
202	Q	88.4	Confident	80.7	Confident	37 Å²	37	51.7 Å²	51.7	17%	0.173	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	157.9	-177.9	64.3	-171.3	8.9	0	0	110.6	L222 I271	Q202-L222 HydrophobicContact CG-CB 4.35Å; Q202-L222 PolarHBondContact N-O 3.25Å; Q202-L222 VanDerWaalsContact N-O 3.07Å; Q202-L222 PolarHBondContact O-N 2.96Å; Q202-I271 HydrophobicContact CB-CG2 4.02Å; Q202-I271 HydrophobicContact CG-CG2 4.1Å
203	Y	85.9	Confident	80.9	Confident	55 Å²	55	52.6 Å²	52.6	22%	0.216	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	146.5	169.6	-67.4	-54.8	0	0	0	110.7	L205 T219 V221 L272 L274 H312	Y203-L205 VanDerWaalsContact C-N 3.34Å; Y203-L205 PolarHBondContact O-N 2.8Å; Y203-T219 HydrophobicContact CE1-CG2 4.35Å; Y203-V221 HydrophobicContact CE1-CG2 4.46Å; Y203-L272 HydrophobicContact CD2-CB 4.26Å; Y203-L272 PolarHBondContact N-O 3.41Å; Y203-L274 HydrophobicContact CD1-CD1 4.2Å; Y203-L274 HydrophobicContact CD2-CD2 4.21Å; Y203-L274 HydrophobicContact CD2-CG 4.44Å; Y203-L274 HydrophobicContact CE1-CD1 3.9Å; Y203-L274 HydrophobicContact CE1-CD2 4.2Å; Y203-L274 HydrophobicContact CE1-CG 4.41Å; Y203-L274 HydrophobicContact CE2-CD2 3.5Å; Y203-L274 VanDerWaalsContact CE2-CD2 3.5Å; Y203-L274 HydrophobicContact CE2-CG 4.17Å; Y203-H312 AromaticContact CE2-NE2 3.88Å
204	K	83.7	Confident	81.2	Confident	119 Å²	119	55.2 Å²	55.2	52%	0.517	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	-40.5	-179.7	174.1	164.5	158.2	-122.6	0	112.6	D218 T220 L222	K204-D218 HydrophobicContact CB-CB 4.17Å; K204-D218 WeakPolarHBondContact CD-OD2 3.48Å; K204-D218 WeakPolarHBondContact CE-OD2 3.34Å; K204-D218 HydrophobicContact CG-CB 4.5Å; K204-D218 PolarHBondContact N-O 2.81Å; K204-D218 IonicContact NZ-OD2 2.71Å; K204-D218 PolarHBondContact NZ-OD2 2.93Å; K204-T220 VanDerWaalsContact CB-OG1 3.24Å; K204-T220 WeakPolarHBondContact CB-OG1 2.87Å; K204-T220 WeakPolarHBondContact CD-OG1 3.19Å; K204-T220 PolarHBondContact N-O 3.44Å; K204-L222 HydrophobicContact CB-CD1 3.87Å; K204-L222 HydrophobicContact CB-CD2 4.37Å; K204-L222 HydrophobicContact CB-CG 3.88Å; K204-L222 HydrophobicContact CD-CD2 4.45Å; K204-L222 HydrophobicContact CG-CD1 4.03Å; K204-L222 HydrophobicContact CG-CG 4.41Å
205	L	80.3	Confident	81.1	Confident	55 Å²	55	62 Å²	62	29%	0.288	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	131.9	175.5	-176.1	65.8	0	0	0	108.3	Y203 E207 I216 Y217 D218 L269	Y203-L205 VanDerWaalsContact C-N 3.34Å; Y203-L205 PolarHBondContact O-N 2.8Å; L205-E207 HydrophobicContact CD1-CG 4.06Å; L205-I216 HydrophobicContact CD2-CG2 3.61Å; L205-I216 HydrophobicContact CG-CG2 4.47Å; L205-Y217 CarbonylContact O-C 3.52Å; L205-Y217 WeakPolarHBondContact O-CA 3.37Å; L205-D218 HydrophobicContact CB-CB 3.63Å; L205-D218 PolarHBondContact O-N 3.2Å; L205-L269 HydrophobicContact CD1-CD1 3.45Å; L205-L269 VanDerWaalsContact CD1-CD1 3.45Å
206	S	75.2	Confident	81.1	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	105.5	170.3	54.4	0	0	0	0	108.8	I216 Y217 T270 I271 L272	S206-I216 WeakPolarHBondContact CA-O 3.39Å; S206-Y217 VanDerWaalsContact CB-CD1 3.49Å; S206-Y217 VanDerWaalsContact CB-CE1 3.42Å; S206-T270 CarbonylContact O-C 3.32Å; S206-T270 PolarHBondContact O-N 3.1Å; S206-T270 PolarHBondContact OG-O 3.09Å; S206-I271 WeakPolarHBondContact OG-CA 3.45Å; S206-L272 PolarHBondContact OG-N 3.44Å
207	E	71.9	Confident	80.9	Confident	27 Å²	27	68.6 Å²	68.6	13%	0.126	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	121.9	175.7	-68.1	-171.2	-174.1	0	0	107.2	L205 Y215 I216 L269	L205-E207 HydrophobicContact CD1-CG 4.06Å; E207-Y215 CarbonylContact O-C 3.52Å; E207-Y215 WeakPolarHBondContact O-CA 3.34Å; E207-I216 HydrophobicContact CB-CB 4.4Å; E207-I216 PolarHBondContact N-O 2.99Å; E207-I216 PolarHBondContact O-N 3.34Å; E207-L269 HydrophobicContact CG-CD1 3.84Å
208	A	70	Confident	80.6	Confident	19 Å²	19	67.8 Å²	67.8	16%	0.157	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	108.4	175.8	0	0	0	0	0	107.9	R256	A208-R256 PolarHBondContact O-NH2 3.04Å
209	H	68.2	Low	80.3	Confident	50 Å²	50	72.2 Å²	72.2	23%	0.231	37%	0.368	C	S	.	.			trans	-84.2	114.7	168.3	-67.5	-73	0	0	0	106.8	N212 P213 D214 H268	H209-N212 CarbonylContact C-O 3.35Å; H209-N212 WeakPolarHBondContact CB-O 3.29Å; H209-N212 CarbonylContact O-C 3.59Å; H209-P213 WeakPolarHBondContact O-CA 3.38Å; H209-D214 PolarHBondContact N-O 3.49Å; H209-H268 AromaticContact CE1-CD2 3.6Å; H209-H268 AromaticContact CE1-CG 3.98Å; H209-H268 PolarHBondContact CE1-N 2.88Å; H209-H268 AromaticContact ND1-CD2 3.53Å
210	M	68	Low	80.1	Confident	152 Å²	152	75.6 Å²	75.6	75%	0.749	39%	0.388	S	S	*	.	S	Bend	trans	-85.9	-31.6	175.5	-74.2	-155.6	-177.7	0	0	114.1	N212	M210-N212 VanDerWaalsContact C-N 3.33Å; M210-N212 PolarHBondContact O-N 2.99Å
211	P	72.3	Confident	80	Confident	119 Å²	119	79 Å²	79	77%	0.773	41%	0.409	S	S	*	.	S	Bend	trans	-64.7	-34.6	177.5	-23.4	34.4	0	0	0	113.7
212	N	76	Confident	79.9	Confident	114 Å²	114	81.2 Å²	81.2	61%	0.61	42%	0.423	S	S	*	.	S	Bend	trans	-125	119.4	166.5	-69.7	-18.1	0	0	0	106	H209 M210 D214	H209-N212 CarbonylContact C-O 3.35Å; H209-N212 WeakPolarHBondContact CB-O 3.29Å; H209-N212 CarbonylContact O-C 3.59Å; M210-N212 VanDerWaalsContact C-N 3.33Å; M210-N212 PolarHBondContact O-N 2.99Å; N212-D214 PolarHBondContact O-N 3.38Å
213	P	72.7	Confident	80.1	Confident	117 Å²	117	85.1 Å²	85.1	76%	0.76	44%	0.439	S	S	*	.			trans	-73.8	57.7	-165.1	31.8	-37.8	0	0	0	114.1	H209	H209-P213 WeakPolarHBondContact O-CA 3.38Å
214	D	80.5	Confident	80.3	Confident	111 Å²	111	85.6 Å²	85.6	59%	0.594	45%	0.445	S	S	*	.			trans	-100.7	138.8	173.1	-64.2	-33.6	0	0	0	109.6	H209 N212	H209-D214 PolarHBondContact N-O 3.49Å; N212-D214 PolarHBondContact O-N 3.38Å
215	Y	78.8	Confident	80.8	Confident	171 Å²	171	82.3 Å²	82.3	67%	0.671	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.9	147.2	178.6	64.1	-95.8	0	0	0	111.9	E207 Y217	E207-Y215 CarbonylContact O-C 3.52Å; E207-Y215 WeakPolarHBondContact O-CA 3.34Å; Y215-Y217 AromaticContact CD2-CD2 3.57Å; Y215-Y217 HydrophobicContact CD2-CD2 3.57Å; Y215-Y217 AromaticContact CD2-CE2 3.92Å; Y215-Y217 HydrophobicContact CD2-CE2 3.92Å; Y215-Y217 HydrophobicContact CE2-CD2 4.35Å; Y215-Y217 HydrophobicContact CG-CD2 4.2Å; Y215-Y217 HydrophobicContact CG-CE2 4.09Å
216	I	81.1	Confident	81.3	Confident	99 Å²	99	80.5 Å²	80.5	51%	0.508	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	112.3	173.4	-54.7	176.8	0	0	0	107.1	L205 S206 E207	L205-I216 HydrophobicContact CD2-CG2 3.61Å; L205-I216 HydrophobicContact CG-CG2 4.47Å; S206-I216 WeakPolarHBondContact CA-O 3.39Å; E207-I216 HydrophobicContact CB-CB 4.4Å; E207-I216 PolarHBondContact N-O 2.99Å; E207-I216 PolarHBondContact O-N 3.34Å
217	Y	83.2	Confident	81.9	Confident	95 Å²	95	83.6 Å²	83.6	37%	0.373	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.3	175.3	-72.8	-81.9	0	0	0	110.5	L205 S206 Y215 L272	L205-Y217 CarbonylContact O-C 3.52Å; L205-Y217 WeakPolarHBondContact O-CA 3.37Å; S206-Y217 VanDerWaalsContact CB-CD1 3.49Å; S206-Y217 VanDerWaalsContact CB-CE1 3.42Å; Y215-Y217 AromaticContact CD2-CD2 3.57Å; Y215-Y217 HydrophobicContact CD2-CD2 3.57Å; Y215-Y217 AromaticContact CD2-CE2 3.92Å; Y215-Y217 HydrophobicContact CD2-CE2 3.92Å; Y215-Y217 HydrophobicContact CE2-CD2 4.35Å; Y215-Y217 HydrophobicContact CG-CD2 4.2Å; Y215-Y217 HydrophobicContact CG-CE2 4.09Å; Y217-L272 HydrophobicContact CE1-CD2 4.08Å
218	D	84.8	Confident	82.4	Confident	42 Å²	42	82.4 Å²	82.4	23%	0.225	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	102.5	158.9	-175.5	-17.4	0	0	0	107	K204 L205 T220	K204-D218 HydrophobicContact CB-CB 4.17Å; K204-D218 WeakPolarHBondContact CD-OD2 3.48Å; K204-D218 WeakPolarHBondContact CE-OD2 3.34Å; K204-D218 HydrophobicContact CG-CB 4.5Å; K204-D218 PolarHBondContact N-O 2.81Å; K204-D218 IonicContact NZ-OD2 2.71Å; K204-D218 PolarHBondContact NZ-OD2 2.93Å; L205-D218 HydrophobicContact CB-CB 3.63Å; L205-D218 PolarHBondContact O-N 3.2Å; D218-T220 VanDerWaalsContact CG-OG1 3.25Å; D218-T220 PolarHBondContact O-N 3.36Å; D218-T220 VanDerWaalsContact O-N 3.14Å; D218-T220 WeakPolarHBondContact OD1-CB 3.29Å; D218-T220 VanDerWaalsContact OD1-CG2 3.26Å; D218-T220 WeakPolarHBondContact OD1-CG2 3.25Å; D218-T220 PolarHBondContact OD1-N 2.99Å; D218-T220 VanDerWaalsContact OD1-N 3.11Å; D218-T220 PolarHBondContact OD1-OG1 2.99Å; D218-T220 PolarHBondContact OD2-OG1 3.33Å
219	T	87.3	Confident	82.9	Confident	98 Å²	98	84.5 Å²	84.5	60%	0.601	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	4.1	-174.9	56.1	0	0	0	0	113.6	Y203 V221	Y203-T219 HydrophobicContact CE1-CG2 4.35Å; T219-V221 PolarHBondContact O-N 3.09Å
220	T	89.6	Confident	83.2	Confident	71 Å²	71	82.7 Å²	82.7	44%	0.436	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	119.7	171.8	55.4	0	0	0	0	110	K204 D218 L222	K204-T220 VanDerWaalsContact CB-OG1 3.24Å; K204-T220 WeakPolarHBondContact CB-OG1 2.87Å; K204-T220 WeakPolarHBondContact CD-OG1 3.19Å; K204-T220 PolarHBondContact N-O 3.44Å; D218-T220 VanDerWaalsContact CG-OG1 3.25Å; D218-T220 PolarHBondContact O-N 3.36Å; D218-T220 VanDerWaalsContact O-N 3.14Å; D218-T220 WeakPolarHBondContact OD1-CB 3.29Å; D218-T220 VanDerWaalsContact OD1-CG2 3.26Å; D218-T220 WeakPolarHBondContact OD1-CG2 3.25Å; D218-T220 PolarHBondContact OD1-N 2.99Å; D218-T220 VanDerWaalsContact OD1-N 3.11Å; D218-T220 PolarHBondContact OD1-OG1 2.99Å; D218-T220 PolarHBondContact OD2-OG1 3.33Å; T220-L222 PolarHBondContact O-N 3.03Å
221	V	89.8	Confident	83.3	Confident	78 Å²	78	84 Å²	84	47%	0.473	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	113.5	-176.7	-179.1	0	0	0	0	109.2	Y201 Y203 T219 L274	Y201-V221 HydrophobicContact CD1-CG1 4.11Å; Y203-V221 HydrophobicContact CE1-CG2 4.46Å; T219-V221 PolarHBondContact O-N 3.09Å; V221-L274 HydrophobicContact CB-CD1 4.49Å; V221-L274 HydrophobicContact CG1-CD1 4.02Å; V221-L274 HydrophobicContact CG2-CD1 3.75Å
222	L	90.2	Very high	82.9	Confident	76 Å²	76	85.6 Å²	85.6	40%	0.398	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	125.3	170.5	-62	-177.9	0	0	0	109.4	Y201 Q202 K204 T220	Y201-L222 WeakPolarHBondContact CA-O 3.27Å; Q202-L222 HydrophobicContact CG-CB 4.35Å; Q202-L222 PolarHBondContact N-O 3.25Å; Q202-L222 VanDerWaalsContact N-O 3.07Å; Q202-L222 PolarHBondContact O-N 2.96Å; K204-L222 HydrophobicContact CB-CD1 3.87Å; K204-L222 HydrophobicContact CB-CD2 4.37Å; K204-L222 HydrophobicContact CB-CG 3.88Å; K204-L222 HydrophobicContact CD-CD2 4.45Å; K204-L222 HydrophobicContact CG-CD1 4.03Å; K204-L222 HydrophobicContact CG-CG 4.41Å; T220-L222 PolarHBondContact O-N 3.03Å
223	K	92.2	Very high	82.4	Confident	120 Å²	120	84.1 Å²	84.1	52%	0.522	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	109.4	172.4	178	179	179.5	155.9	0	108.8	Y201 C225	Y201-K223 HydrophobicContact CD1-CB 4.04Å; Y201-K223 HydrophobicContact CD1-CD 4.45Å; Y201-K223 HydrophobicContact CD1-CG 4.14Å; Y201-K223 HydrophobicContact CE1-CB 4Å; Y201-K223 HydrophobicContact CE1-CD 3.58Å; Y201-K223 HydrophobicContact CE1-CG 3.7Å; Y201-K223 WeakPolarHBondContact OH-CE 3.49Å; Y201-K223 PolarHBondContact OH-NZ 2.83Å; K223-C225 WeakPolarHBondContact CE-SG 3.25Å
224	N	91	Very high	82.2	Confident	64 Å²	64	82.7 Å²	82.7	34%	0.342	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	117.8	173.3	-168.7	4.9	0	0	0	108.9	C199 L200 M251	C199-N224 WeakPolarHBondContact CA-O 3.18Å; L200-N224 PolarHBondContact N-O 2.87Å; L200-N224 PolarHBondContact O-N 3.24Å; N224-M251 VanDerWaalsContact C-CE 3.49Å; N224-M251 HydrophobicContact CB-CE 3.93Å; N224-M251 WeakPolarHBondContact O-CE 3.38Å; N224-M251 VanDerWaalsContact OD1-CE 3.23Å; N224-M251 WeakPolarHBondContact OD1-CE 3.15Å
225	C	93.6	Very high	81.4	Confident	50 Å²	50	78.5 Å²	78.5	34%	0.338	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.7	-179	-62.2	0	0	0	0	111.2	L197 I198 C199 K223	L197-C225 HydrophobicContact CD1-CB 4.16Å; I198-C225 CarbonylContact O-C 3.58Å; I198-C225 VanDerWaalsContact O-CA 3.23Å; I198-C225 WeakPolarHBondContact O-CA 3.31Å; C199-C225 HydrophobicContact CB-CB 4.19Å; C199-C225 WeakPolarHBondContact CB-SG 3.26Å; C199-C225 WeakPolarHBondContact SG-CB 3.28Å; C199-C225 CovalentContact SG-SG 2.05Å; C199-C225 PolarHBondContact SG-SG 3.48Å; K223-C225 WeakPolarHBondContact CE-SG 3.25Å
226	S	90.6	Very high	80.7	Confident	17 Å²	17	75.5 Å²	75.5	12%	0.119	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	154.2	177.4	72.6	0	0	0	0	110.7	I198 M251	I198-S226 WeakPolarHBondContact CG2-O 3.15Å; I198-S226 WeakPolarHBondContact CG2-OG 3.24Å; I198-S226 PolarHBondContact N-O 3.18Å; I198-S226 PolarHBondContact O-N 2.99Å; S226-M251 VanDerWaalsContact CB-CE 3.49Å; S226-M251 WeakPolarHBondContact OG-CE 3.3Å; S226-M251 PolarHBondContact OG-SD 3.4Å
227	T	87.6	Confident	80.1	Confident	66 Å²	66	75.1 Å²	75.1	41%	0.405	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	128.5	177.3	52.6	0	0	0	0	110.2	P195 L197 T229	P195-T227 HydrophobicContact CB-CG2 4.03Å; P195-T227 HydrophobicContact CG-CG2 4.06Å; L197-T227 HydrophobicContact CD1-CG2 4.2Å; T227-T229 PolarHBondContact O-N 3.18Å
228	I	83.8	Confident	79.2	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.005	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	100.4	170.4	-58	165.9	0	0	0	107.3	V153 Y171 M196 I198 I242 L278	V153-I228 HydrophobicContact CG1-CG2 4.1Å; V153-I228 HydrophobicContact CG2-CD1 4.21Å; Y171-I228 PolarHBondContact OH-O 3.12Å; M196-I228 HydrophobicContact CB-CB 4.49Å; M196-I228 PolarHBondContact N-O 2.8Å; M196-I228 PolarHBondContact O-N 3.09Å; I198-I228 HydrophobicContact CB-CD1 3.8Å; I198-I228 HydrophobicContact CB-CG1 4.32Å; I198-I228 HydrophobicContact CD1-CD1 4.42Å; I198-I228 HydrophobicContact CG2-CD1 3.8Å; I198-I228 HydrophobicContact CG2-CG1 3.82Å; I228-I242 HydrophobicContact CD1-CD1 4.08Å; I228-I242 HydrophobicContact CG1-CD1 4.45Å; I228-I242 HydrophobicContact CG2-CD1 3.97Å; I228-L278 HydrophobicContact CD1-CD2 4.11Å
229	T	79.2	Confident	78.5	Confident	63 Å²	63	77.1 Å²	77.1	39%	0.387	41%	0.409	S	S	.	.			trans	-109.2	120.2	170	54	0	0	0	0	108.7	P195 T227	P195-T229 HydrophobicContact CB-CG2 3.66Å; P195-T229 HydrophobicContact CG-CG2 4.26Å; T227-T229 PolarHBondContact O-N 3.18Å
230	L	75.4	Confident	77.9	Confident	13 Å²	13	73.4 Å²	73.4	7%	0.068	38%	0.384	C	S	.	.			trans	-90.9	124.4	168.2	-60.3	-175.2	0	0	0	108.5	V153 V154 Y171 E234 W235 F240 I245	V153-L230 HydrophobicContact CG1-CD1 4.19Å; V154-L230 HydrophobicContact CG2-CD1 3.42Å; V154-L230 VanDerWaalsContact CG2-CD1 3.42Å; Y171-L230 HydrophobicContact CD2-CD1 3.9Å; Y171-L230 HydrophobicContact CE1-CB 4.31Å; Y171-L230 HydrophobicContact CE2-CB 4.21Å; Y171-L230 HydrophobicContact CE2-CD1 3.41Å; Y171-L230 VanDerWaalsContact CE2-CD1 3.41Å; Y171-L230 HydrophobicContact CE2-CG 3.73Å; Y171-L230 PolarHBondContact OH-N 3.02Å; Y171-L230 VanDerWaalsContact OH-N 3.08Å; L230-E234 HydrophobicContact CB-CB 4.42Å; L230-W235 HydrophobicContact CB-CE3 3.94Å; L230-W235 HydrophobicContact CB-CZ3 4.44Å; L230-W235 HydrophobicContact CD1-CB 3.91Å; L230-W235 HydrophobicContact CD1-CE3 4.46Å; L230-F240 HydrophobicContact CD1-CE2 4.03Å; L230-F240 HydrophobicContact CD1-CZ 4Å; L230-F240 HydrophobicContact CD2-CD2 4.48Å; L230-F240 HydrophobicContact CD2-CE2 3.41Å; L230-F240 VanDerWaalsContact CD2-CE2 3.41Å; L230-F240 HydrophobicContact CD2-CZ 3.63Å; L230-F240 HydrophobicContact CG-CE2 4.39Å; L230-F240 HydrophobicContact CG-CZ 4.45Å; L230-I245 HydrophobicContact CD2-CD1 3.47Å; L230-I245 VanDerWaalsContact CD2-CD1 3.47Å
231	R	68.8	Low	77.4	Confident	179 Å²	179	72.3 Å²	72.3	68%	0.675	38%	0.379	S	S	*	.			trans	-101.8	162.9	177.4	-68.9	-175.1	178.4	-177.3	-0.8	109.5	M233 E234	R231-M233 VanDerWaalsContact C-N 3.32Å; R231-M233 PolarHBondContact O-N 3.49Å; R231-M233 VanDerWaalsContact O-N 3.14Å; R231-E234 PolarHBondContact N-OE2 2.85Å; R231-E234 VanDerWaalsContact O-CB 3.29Å; R231-E234 WeakPolarHBondContact O-CB 3.36Å; R231-E234 VanDerWaalsContact O-CD 3.23Å; R231-E234 WeakPolarHBondContact O-CG 3.35Å; R231-E234 PolarHBondContact O-N 3.32Å
232	N	65.3	Low	77.1	Confident	152 Å²	152	68.7 Å²	68.7	81%	0.813	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	38.1	167.2	-57	-21.5	0	0	0	115.8	E234	N232-E234 PolarHBondContact O-N 2.96Å; N232-E234 VanDerWaalsContact O-N 3.13Å
233	M	64.9	Low	76.9	Confident	83 Å²	83	67.3 Å²	67.3	41%	0.409	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	27.3	-178.1	-50.3	-73.8	-73.8	0	0	113.3	R231 W235 L236	R231-M233 VanDerWaalsContact C-N 3.32Å; R231-M233 PolarHBondContact O-N 3.49Å; R231-M233 VanDerWaalsContact O-N 3.14Å; M233-W235 HydrophobicContact CE-CZ2 4.22Å; M233-W235 PolarHBondContact O-N 3.39Å; M233-W235 HydrophobicContact SD-CH2 4.33Å; M233-W235 HydrophobicContact SD-CZ2 3.34Å; M233-W235 WeakPolarHBondContact SD-CZ2 3.2Å; M233-L236 HydrophobicContact CB-CD1 3.79Å; M233-L236 HydrophobicContact CB-CG 4.09Å; M233-L236 HydrophobicContact CE-CD1 3.53Å; M233-L236 HydrophobicContact CE-CG 4.03Å; M233-L236 HydrophobicContact CG-CD1 4.36Å; M233-L236 VanDerWaalsContact O-CB 3.3Å; M233-L236 WeakPolarHBondContact O-CB 3.42Å; M233-L236 PolarHBondContact O-N 3.07Å
234	E	67.7	Low	76.5	Confident	88 Å²	88	65.8 Å²	65.8	41%	0.411	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-52.1	-27	175.9	-82.7	163.8	-177	0	0	112.6	L230 R231 N232 L236 N237	L230-E234 HydrophobicContact CB-CB 4.42Å; R231-E234 PolarHBondContact N-OE2 2.85Å; R231-E234 VanDerWaalsContact O-CB 3.29Å; R231-E234 WeakPolarHBondContact O-CB 3.36Å; R231-E234 VanDerWaalsContact O-CD 3.23Å; R231-E234 WeakPolarHBondContact O-CG 3.35Å; R231-E234 PolarHBondContact O-N 3.32Å; N232-E234 PolarHBondContact O-N 2.96Å; N232-E234 VanDerWaalsContact O-N 3.13Å; E234-L236 PolarHBondContact O-N 2.71Å; E234-N237 VanDerWaalsContact O-CB 3.27Å; E234-N237 WeakPolarHBondContact O-CB 3.48Å; E234-N237 PolarHBondContact O-N 2.84Å
235	W	63.9	Low	76.1	Confident	23 Å²	23	64.3 Å²	64.3	9%	0.087	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-63.6	-15.4	173	58.4	60.9	0	0	0	114.8	V154 Y171 Y193 L230 M233 N237	V154-W235 HydrophobicContact CG1-CB 4.3Å; V154-W235 WeakPolarHBondContact CG1-O 3.28Å; V154-W235 HydrophobicContact CG2-CB 3.56Å; Y171-W235 HydrophobicContact CD1-CD2 4.1Å; Y171-W235 AromaticContact CD1-CE3 3.13Å; Y171-W235 HydrophobicContact CD1-CE3 3.13Å; Y171-W235 HydrophobicContact CD1-CH2 4.1Å; Y171-W235 AromaticContact CD1-CZ3 3.15Å; Y171-W235 HydrophobicContact CD1-CZ3 3.15Å; Y171-W235 HydrophobicContact CD2-CE3 4.11Å; Y171-W235 AromaticContact CE1-CE3 3.52Å; Y171-W235 HydrophobicContact CE1-CE3 3.52Å; Y171-W235 AromaticContact CE1-CZ3 3.39Å; Y171-W235 HydrophobicContact CE1-CZ3 3.39Å; Y171-W235 HydrophobicContact CE2-CE3 4.44Å; Y171-W235 HydrophobicContact CG-CD2 4.07Å; Y171-W235 AromaticContact CG-CE3 3.45Å; Y171-W235 HydrophobicContact CG-CE3 3.45Å; Y171-W235 VanDerWaalsContact CG-CE3 3.45Å; Y171-W235 AromaticContact CG-CZ3 3.97Å; Y171-W235 HydrophobicContact CG-CZ3 3.97Å; Y193-W235 AromaticContact CD2-CH2 3.36Å; Y193-W235 HydrophobicContact CD2-CH2 3.36Å; Y193-W235 HydrophobicContact CD2-CZ2 4.32Å; Y193-W235 AromaticContact CD2-CZ3 3.66Å; Y193-W235 HydrophobicContact CD2-CZ3 3.66Å; Y193-W235 AromaticContact CE2-CH2 3.1Å; Y193-W235 HydrophobicContact CE2-CH2 3.1Å; Y193-W235 AromaticContact CE2-CZ2 3.64Å; Y193-W235 HydrophobicContact CE2-CZ2 3.64Å; Y193-W235 AromaticContact CE2-CZ3 3.83Å; Y193-W235 HydrophobicContact CE2-CZ3 3.83Å; Y193-W235 HydrophobicContact CG-CH2 4.49Å; Y193-W235 HydrophobicContact CG-CZ3 4.49Å; L230-W235 HydrophobicContact CB-CE3 3.94Å; L230-W235 HydrophobicContact CB-CZ3 4.44Å; L230-W235 HydrophobicContact CD1-CB 3.91Å; L230-W235 HydrophobicContact CD1-CE3 4.46Å; M233-W235 HydrophobicContact CE-CZ2 4.22Å; M233-W235 PolarHBondContact O-N 3.39Å; M233-W235 HydrophobicContact SD-CH2 4.33Å; M233-W235 HydrophobicContact SD-CZ2 3.34Å; M233-W235 WeakPolarHBondContact SD-CZ2 3.2Å; W235-N237 VanDerWaalsContact C-N 3.3Å
236	L	65.6	Low	75.7	Confident	108 Å²	108	62.1 Å²	62.1	57%	0.565	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-81.6	-12.3	174	-70.1	179.9	0	0	0	112.1	M233 E234 E238	M233-L236 HydrophobicContact CB-CD1 3.79Å; M233-L236 HydrophobicContact CB-CG 4.09Å; M233-L236 HydrophobicContact CE-CD1 3.53Å; M233-L236 HydrophobicContact CE-CG 4.03Å; M233-L236 HydrophobicContact CG-CD1 4.36Å; M233-L236 VanDerWaalsContact O-CB 3.3Å; M233-L236 WeakPolarHBondContact O-CB 3.42Å; M233-L236 PolarHBondContact O-N 3.07Å; E234-L236 PolarHBondContact O-N 2.71Å; L236-E238 PolarHBondContact O-N 3.38Å
237	N	68.2	Low	75.4	Confident	91 Å²	91	63.5 Å²	63.5	49%	0.487	34%	0.343	S	S	.	.			trans	-71.9	118.2	-179.6	-170.8	-2.8	0	0	0	109.9	E234 W235 S239 F240	E234-N237 VanDerWaalsContact O-CB 3.27Å; E234-N237 WeakPolarHBondContact O-CB 3.48Å; E234-N237 PolarHBondContact O-N 2.84Å; W235-N237 VanDerWaalsContact C-N 3.3Å; N237-S239 PolarHBondContact ND2-OG 3.38Å; N237-S239 PolarHBondContact O-N 2.96Å; N237-S239 PolarHBondContact OD1-N 3.45Å; N237-S239 PolarHBondContact OD1-OG 3.46Å; N237-F240 WeakPolarHBondContact O-CB 3.37Å; N237-F240 PolarHBondContact O-N 2.97Å
238	E	63	Low	75.2	Confident	88 Å²	88	64.3 Å²	64.3	41%	0.411	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-20	179.6	-62.5	-176.5	172.4	0	0	112.6	P156 I159 R162 L236	P156-E238 VanDerWaalsContact CB-O 3.25Å; P156-E238 WeakPolarHBondContact CB-O 3.4Å; I159-E238 WeakPolarHBondContact CG1-OE2 3.24Å; R162-E238 IonicContact NH2-OE1 3.49Å; R162-E238 PolarHBondContact NH2-OE1 3.04Å; L236-E238 PolarHBondContact O-N 3.38Å
239	S	71.5	Confident	75.2	Confident	90 Å²	90	69 Å²	69	63%	0.629	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	15.4	178.8	65	0	0	0	0	114.1	N237 S241	N237-S239 PolarHBondContact ND2-OG 3.38Å; N237-S239 PolarHBondContact O-N 2.96Å; N237-S239 PolarHBondContact OD1-N 3.45Å; N237-S239 PolarHBondContact OD1-OG 3.46Å; S239-S241 PolarHBondContact O-N 3.35Å
240	F	74	Confident	75.3	Confident	20 Å²	20	72.5 Å²	72.5	9%	0.088	39%	0.389	C	S	.	.			trans	-58.1	125.8	-177.9	179.7	-95.1	0	0	0	111.4	T150 V153 V154 L230 N237 I242 I245	T150-F240 HydrophobicContact CG2-CD1 3.9Å; T150-F240 HydrophobicContact CG2-CE1 4.21Å; T150-F240 WeakPolarHBondContact CG2-O 3.36Å; V153-F240 HydrophobicContact CG1-CE1 4.19Å; V153-F240 HydrophobicContact CG1-CZ 4.32Å; V154-F240 HydrophobicContact CB-CD1 3.65Å; V154-F240 HydrophobicContact CB-CE1 3.95Å; V154-F240 HydrophobicContact CB-CG 4.34Å; V154-F240 HydrophobicContact CG1-CB 4.33Å; V154-F240 HydrophobicContact CG1-CD1 4.01Å; V154-F240 HydrophobicContact CG1-CG 4.3Å; V154-F240 HydrophobicContact CG2-CD1 4.25Å; V154-F240 HydrophobicContact CG2-CE1 4.26Å; L230-F240 HydrophobicContact CD1-CE2 4.03Å; L230-F240 HydrophobicContact CD1-CZ 4Å; L230-F240 HydrophobicContact CD2-CD2 4.48Å; L230-F240 HydrophobicContact CD2-CE2 3.41Å; L230-F240 VanDerWaalsContact CD2-CE2 3.41Å; L230-F240 HydrophobicContact CD2-CZ 3.63Å; L230-F240 HydrophobicContact CG-CE2 4.39Å; L230-F240 HydrophobicContact CG-CZ 4.45Å; N237-F240 WeakPolarHBondContact O-CB 3.37Å; N237-F240 PolarHBondContact O-N 2.97Å; F240-I242 HydrophobicContact CZ-CD1 4.14Å; F240-I245 HydrophobicContact CE2-CD1 3.77Å; F240-I245 HydrophobicContact CZ-CD1 3.82Å
241	S	80.2	Confident	75.6	Confident	48 Å²	48	72.3 Å²	72.3	34%	0.336	39%	0.388	S	S	.	.			trans	-127.9	139.4	172	179.5	0	0	0	0	108.3	S239 V243 P244	S239-S241 PolarHBondContact O-N 3.35Å; S241-V243 PolarHBondContact O-N 3.47Å; S241-V243 WeakPolarHBondContact OG-CG2 3.45Å; S241-V243 PolarHBondContact OG-N 3.02Å; S241-P244 VanDerWaalsContact O-CD 3.23Å; S241-P244 WeakPolarHBondContact O-CD 3.47Å
242	I	83.1	Confident	76.1	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.01	36%	0.364	C	S	.	.	S	Bend	trans	-72.6	-19.4	175.8	-162.1	59.8	0	0	0	112.5	Y146 L149 T150 V153 I228 F240 I245 L246	Y146-I242 HydrophobicContact CD1-CG2 4.39Å; L149-I242 HydrophobicContact CB-CG2 3.96Å; T150-I242 WeakPolarHBondContact OG1-CG2 3.31Å; T150-I242 PolarHBondContact OG1-N 3.07Å; V153-I242 HydrophobicContact CG1-CD1 4.41Å; V153-I242 HydrophobicContact CG2-CD1 4.24Å; I228-I242 HydrophobicContact CD1-CD1 4.08Å; I228-I242 HydrophobicContact CG1-CD1 4.45Å; I228-I242 HydrophobicContact CG2-CD1 3.97Å; F240-I242 HydrophobicContact CZ-CD1 4.14Å; I242-I245 HydrophobicContact CD1-CB 4.31Å; I242-I245 HydrophobicContact CD1-CD1 4.18Å; I242-I245 WeakPolarHBondContact O-CB 3.36Å; I242-I245 PolarHBondContact O-N 3.25Å; I242-I245 VanDerWaalsContact O-N 3.1Å; I242-L246 HydrophobicContact CG1-CD1 4.26Å; I242-L246 HydrophobicContact CG1-CG 4.12Å; I242-L246 HydrophobicContact CG2-CD1 4.02Å; I242-L246 WeakPolarHBondContact O-CG 3.41Å; I242-L246 PolarHBondContact O-N 3.09Å
243	V	84.9	Confident	76.6	Confident	48 Å²	48	59.2 Å²	59.2	29%	0.291	33%	0.332	S	S	.	.	H	α-helix	trans	-57.5	-46.3	-172	179.6	0	0	0	0	113.4	Y146 S241 I245 L246 A247	Y146-V243 HydrophobicContact CD1-CG2 3.64Å; Y146-V243 HydrophobicContact CD2-CG2 4.22Å; Y146-V243 HydrophobicContact CE1-CG2 4.09Å; Y146-V243 HydrophobicContact CG-CG2 3.71Å; S241-V243 PolarHBondContact O-N 3.47Å; S241-V243 WeakPolarHBondContact OG-CG2 3.45Å; S241-V243 PolarHBondContact OG-N 3.02Å; V243-I245 VanDerWaalsContact C-N 3.29Å; V243-I245 PolarHBondContact O-N 2.98Å; V243-L246 PolarHBondContact O-N 3.15Å; V243-A247 WeakPolarHBondContact O-CB 3.38Å; V243-A247 PolarHBondContact O-N 2.93Å
244	P	84.1	Confident	76.6	Confident	87 Å²	87	62.2 Å²	62.2	57%	0.565	34%	0.344	S	S	*	.	H	α-helix	trans	-62.7	-34.4	177.6	-21.9	35.2	0	0	0	113	S241 A247 S248	S241-P244 VanDerWaalsContact O-CD 3.23Å; S241-P244 WeakPolarHBondContact O-CD 3.47Å; P244-A247 PolarHBondContact O-N 3.45Å; P244-S248 PolarHBondContact O-N 2.91Å
245	I	82.3	Confident	76	Confident	34 Å²	34	66.9 Å²	66.9	17%	0.174	36%	0.358	C	S	.	.	H	α-helix	trans	-67.8	-46.1	176.8	-62.5	176	0	0	0	109.5	L230 F240 I242 V243 A247 S248 K249	L230-I245 HydrophobicContact CD2-CD1 3.47Å; L230-I245 VanDerWaalsContact CD2-CD1 3.47Å; F240-I245 HydrophobicContact CE2-CD1 3.77Å; F240-I245 HydrophobicContact CZ-CD1 3.82Å; I242-I245 HydrophobicContact CD1-CB 4.31Å; I242-I245 HydrophobicContact CD1-CD1 4.18Å; I242-I245 WeakPolarHBondContact O-CB 3.36Å; I242-I245 PolarHBondContact O-N 3.25Å; I242-I245 VanDerWaalsContact O-N 3.1Å; V243-I245 VanDerWaalsContact C-N 3.29Å; V243-I245 PolarHBondContact O-N 2.98Å; I245-A247 VanDerWaalsContact C-N 3.28Å; I245-A247 PolarHBondContact O-N 2.75Å; I245-S248 PolarHBondContact O-N 3.38Å; I245-S248 PolarHBondContact O-OG 2.91Å; I245-K249 WeakPolarHBondContact O-CG 3.15Å; I245-K249 PolarHBondContact O-N 3.4Å
246	L	85.4	Confident	75.4	Confident	4 Å²	4	72.9 Å²	72.9	2%	0.021	38%	0.381	C	S	.	.	H	α-helix	trans	-62.5	-37.1	175.5	-62.4	176.8	0	0	0	112	Y146 L149 I198 I242 V243 K249 N250 M251 T252	Y146-L246 HydrophobicContact CD1-CD1 4.18Å; Y146-L246 HydrophobicContact CE1-CD1 3.84Å; L149-L246 HydrophobicContact CD1-CD1 4.11Å; I198-L246 HydrophobicContact CD1-CD2 3.62Å; I198-L246 HydrophobicContact CG2-CD2 4.46Å; I242-L246 HydrophobicContact CG1-CD1 4.26Å; I242-L246 HydrophobicContact CG1-CG 4.12Å; I242-L246 HydrophobicContact CG2-CD1 4.02Å; I242-L246 WeakPolarHBondContact O-CG 3.41Å; I242-L246 PolarHBondContact O-N 3.09Å; V243-L246 PolarHBondContact O-N 3.15Å; L246-K249 CarbonylContact O-C 3.54Å; L246-K249 PolarHBondContact O-N 3.26Å; L246-N250 PolarHBondContact O-N 3.43Å; L246-M251 HydrophobicContact CB-CB 4.41Å; L246-M251 HydrophobicContact CD2-CB 4.22Å; L246-M251 PolarHBondContact O-N 3.38Å; L246-T252 HydrophobicContact CB-CG2 4.15Å
247	A	84.5	Confident	74.3	Confident	45 Å²	45	78 Å²	78	37%	0.372	39%	0.393	S	S	.	.	H	α-helix	trans	-63.5	-42.9	176.8	0	0	0	0	0	110.8	V243 P244 I245 K249 N250 T252	V243-A247 WeakPolarHBondContact O-CB 3.38Å; V243-A247 PolarHBondContact O-N 2.93Å; P244-A247 PolarHBondContact O-N 3.45Å; I245-A247 VanDerWaalsContact C-N 3.28Å; I245-A247 PolarHBondContact O-N 2.75Å; A247-K249 PolarHBondContact O-N 3.46Å; A247-N250 PolarHBondContact O-N 3.11Å; A247-T252 VanDerWaalsContact CA-CG2 3.47Å; A247-T252 HydrophobicContact CB-CG2 3.7Å
248	S	84.3	Confident	72.8	Confident	84 Å²	84	79.6 Å²	79.6	59%	0.587	41%	0.411	S	S	*	.	H	α-helix	trans	-63.8	-21.2	176.8	79.8	0	0	0	0	114	P244 I245	P244-S248 PolarHBondContact O-N 2.91Å; I245-S248 PolarHBondContact O-N 3.38Å; I245-S248 PolarHBondContact O-OG 2.91Å
249	K	83.4	Confident	71.7	Confident	98 Å²	98	81.1 Å²	81.1	43%	0.426	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	6.5	-179.3	-60.5	-60.4	-176.1	-175.7	0	113.4	I245 L246 A247 M251	I245-K249 WeakPolarHBondContact O-CG 3.15Å; I245-K249 PolarHBondContact O-N 3.4Å; L246-K249 CarbonylContact O-C 3.54Å; L246-K249 PolarHBondContact O-N 3.26Å; A247-K249 PolarHBondContact O-N 3.46Å; K249-M251 VanDerWaalsContact C-N 3.27Å; K249-M251 HydrophobicContact CB-CG 4.24Å; K249-M251 HydrophobicContact CB-SD 4.31Å; K249-M251 PolarHBondContact O-N 3.19Å
250	N	80.3	Confident	70.3	Confident	138 Å²	138	86.7 Å²	86.7	74%	0.738	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	41.7	-173.2	-64.5	-17.8	0	0	0	113	L246 A247	L246-N250 PolarHBondContact O-N 3.43Å; A247-N250 PolarHBondContact O-N 3.11Å
251	M	81.5	Confident	68.4	Low	9 Å²	9	96.1 Å²	96.1	4%	0.044	47%	0.466	C	S	.	.			trans	-118.2	12.9	179.1	-68	-177.7	178.1	0	0	112.9	I198 L200 N224 S226 L246 K249 I253	I198-M251 HydrophobicContact CG2-SD 4.07Å; L200-M251 HydrophobicContact CD2-CB 4.36Å; N224-M251 VanDerWaalsContact C-CE 3.49Å; N224-M251 HydrophobicContact CB-CE 3.93Å; N224-M251 WeakPolarHBondContact O-CE 3.38Å; N224-M251 VanDerWaalsContact OD1-CE 3.23Å; N224-M251 WeakPolarHBondContact OD1-CE 3.15Å; S226-M251 VanDerWaalsContact CB-CE 3.49Å; S226-M251 WeakPolarHBondContact OG-CE 3.3Å; S226-M251 PolarHBondContact OG-SD 3.4Å; L246-M251 HydrophobicContact CB-CB 4.41Å; L246-M251 HydrophobicContact CD2-CB 4.22Å; L246-M251 PolarHBondContact O-N 3.38Å; K249-M251 VanDerWaalsContact C-N 3.27Å; K249-M251 HydrophobicContact CB-CG 4.24Å; K249-M251 HydrophobicContact CB-SD 4.31Å; K249-M251 PolarHBondContact O-N 3.19Å; M251-I253 PolarHBondContact O-N 2.9Å
252	T	79.7	Confident	66.5	Low	30 Å²	30	96.5 Å²	96.5	18%	0.184	47%	0.472	C	S	.	.			trans	-70.3	123.4	176.1	35.9	0	0	0	0	110.9	L246 A247 H254	L246-T252 HydrophobicContact CB-CG2 4.15Å; A247-T252 VanDerWaalsContact CA-CG2 3.47Å; A247-T252 HydrophobicContact CB-CG2 3.7Å; T252-H254 WeakPolarHBondContact CB-NE2 3.38Å; T252-H254 PolarHBondContact O-N 2.93Å; T252-H254 PolarHBondContact OG1-CD2 2.88Å; T252-H254 PolarHBondContact OG1-NE2 2.75Å
253	I	75.9	Confident	64.5	Low	25 Å²	25	102.7 Å²	102.7	13%	0.128	51%	0.51	C	S	.	.			trans	-81	97.7	169.2	-62.3	166.8	0	0	0	106.3	L142 F145 Y146 L200 M251 F273 V276	L142-I253 HydrophobicContact CD1-CG2 4.21Å; F145-I253 HydrophobicContact CE1-CD1 3.66Å; F145-I253 HydrophobicContact CZ-CD1 3.74Å; Y146-I253 PolarHBondContact OH-N 3.35Å; Y146-I253 PolarHBondContact OH-O 2.73Å; L200-I253 HydrophobicContact CD1-CD1 4.2Å; L200-I253 HydrophobicContact CD1-CG1 4.4Å; M251-I253 PolarHBondContact O-N 2.9Å; I253-F273 HydrophobicContact CD1-CB 4.22Å; I253-F273 HydrophobicContact CD1-CD1 3.75Å; I253-F273 HydrophobicContact CD1-CD2 4.09Å; I253-F273 HydrophobicContact CD1-CE1 4.09Å; I253-F273 HydrophobicContact CD1-CE2 4.4Å; I253-F273 HydrophobicContact CD1-CG 3.75Å; I253-F273 HydrophobicContact CD1-CZ 4.4Å; I253-F273 HydrophobicContact CG1-CD1 4.24Å; I253-F273 HydrophobicContact CG1-CG 4.41Å; I253-F273 HydrophobicContact CG2-CD1 3.77Å; I253-F273 HydrophobicContact CG2-CE1 4.02Å; I253-V276 HydrophobicContact CD1-CG2 4.21Å
254	H	64.2	Low	62.5	Low	146 Å²	146	109.4 Å²	109.4	68%	0.676	54%	0.538	S	S	*	.			trans	-82.6	122.5	179.7	-73.2	-64.7	0	0	0	111	T252	T252-H254 WeakPolarHBondContact CB-NE2 3.38Å; T252-H254 PolarHBondContact O-N 2.93Å; T252-H254 PolarHBondContact OG1-CD2 2.88Å; T252-H254 PolarHBondContact OG1-NE2 2.75Å
255	R	56.4	Low	60.2	Low	186 Å²	186	113.7 Å²	113.7	70%	0.702	55%	0.548	S	S	*	.			trans	-66.3	139.8	161.7	-162.1	171.5	-172.5	161.5	2.6	108.3	L142 R257	L142-R255 HydrophobicContact CD2-CB 3.77Å; R255-R257 PolarHBondContact O-N 3.45Å
256	R	50.2	Low	58.3	Low	149 Å²	149	115.5 Å²	115.5	56%	0.562	57%	0.574	S	S	*	*			trans	-36.1	99.7	166.6	-80.2	-175.3	177.4	169.7	-1.8	109.4	A208 S258	A208-R256 PolarHBondContact O-NH2 3.04Å; R256-S258 PolarHBondContact O-N 3.33Å
257	R	43.1	Very low	56.3	Low	216 Å²	216	118.1 Å²	118.1	82%	0.815	59%	0.593	S	S	*	*			trans	-78.1	114.8	173.8	-143.5	177.2	-169.6	142.6	2.4	104.9	R255 E259	R255-R257 PolarHBondContact O-N 3.45Å; R257-E259 PolarHBondContact O-N 2.77Å
258	S	37.7	Very low	54.6	Low	124 Å²	124	120.2 Å²	120.2	87%	0.867	60%	0.595	S	S	*	*			trans	-62.2	75.6	165.1	-176.5	0	0	0	0	107.8	R256	R256-S258 PolarHBondContact O-N 3.33Å
259	E	40	Very low	52.9	Low	121 Å²	121	120.8 Å²	120.8	57%	0.565	59%	0.591	S	S	*	*			trans	-108.9	114	170.1	-159.7	156.4	-155	0	0	105.7	R257 R261	R257-E259 PolarHBondContact O-N 2.77Å; E259-R261 PolarHBondContact O-N 2.81Å
260	K	40.3	Very low	51.6	Low	206 Å²	206	118.2 Å²	118.2	90%	0.896	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	13.6	-176.1	-75.1	178.7	170.3	179.8	0	115
261	R	34.4	Very low	50.6	Low	219 Å²	219	115.6 Å²	115.6	83%	0.826	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113	6.4	-172.9	-134.8	178.9	-73	171.8	-1.1	114.2	E259	E259-R261 PolarHBondContact O-N 2.81Å
262	A	41	Very low	50.3	Low	55 Å²	55	116.7 Å²	116.7	46%	0.455	57%	0.574	S	S	.	*			trans	-98.3	24.2	176.2	0	0	0	0	0	114.1
263	V	41.9	Very low	50.6	Low	133 Å²	133	116.5 Å²	116.5	81%	0.806	57%	0.571	S	S	*	*	S	Bend	trans	-85.4	-13.9	-178.7	178.4	0	0	0	0	112.5
264	E	42.5	Very low	51.2	Low	188 Å²	188	115.8 Å²	115.8	88%	0.879	57%	0.568	S	S	*	*	S	Bend	trans	-98.6	-5.5	-174	-81.6	-179.9	155.7	0	0	116.1
265	F	36.2	Very low	52.5	Low	178 Å²	178	110.3 Å²	110.3	78%	0.781	54%	0.542	S	S	*	.	S	Bend	trans	-140.9	100	176	-126.7	-102.4	0	0	0	110.1	S267	F265-S267 VanDerWaalsContact C-N 3.27Å; F265-S267 PolarHBondContact O-N 3.44Å
266	G	40.9	Very low	54.3	Low	71 Å²	71	101.7 Å²	101.7	73%	0.732	51%	0.51	S	S	*	.			trans	-73.2	53.5	-167.4	0	0	0	0	0	116.9
267	S	42.9	Very low	56.4	Low	59 Å²	59	95.7 Å²	95.7	41%	0.413	49%	0.488	S	S	.	.			trans	-133.3	105.7	169.2	35.1	0	0	0	0	109.6	F265 L269	F265-S267 VanDerWaalsContact C-N 3.27Å; F265-S267 PolarHBondContact O-N 3.44Å; S267-L269 PolarHBondContact O-N 3.44Å
268	H	49.8	Very low	58.8	Low	90 Å²	90	85.5 Å²	85.5	42%	0.417	45%	0.45	S	S	.	.			trans	-91.2	81.5	-179.9	-68.1	-52.3	0	0	0	109.4	H209 T270	H209-H268 AromaticContact CE1-CD2 3.6Å; H209-H268 AromaticContact CE1-CG 3.98Å; H209-H268 PolarHBondContact CE1-N 2.88Å; H209-H268 AromaticContact ND1-CD2 3.53Å; H268-T270 PolarHBondContact O-N 2.99Å; H268-T270 PolarHBondContact O-OG1 2.93Å
269	L	48.3	Very low	61.5	Low	96 Å²	96	82.5 Å²	82.5	50%	0.503	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-62.1	100	174.9	-171.4	65.8	0	0	0	110.7	L205 E207 S267 I271	L205-L269 HydrophobicContact CD1-CD1 3.45Å; L205-L269 VanDerWaalsContact CD1-CD1 3.45Å; E207-L269 HydrophobicContact CG-CD1 3.84Å; S267-L269 PolarHBondContact O-N 3.44Å; L269-I271 HydrophobicContact CD1-CG1 4.46Å; L269-I271 HydrophobicContact CD2-CD1 4.34Å; L269-I271 HydrophobicContact CD2-CG1 4.27Å; L269-I271 HydrophobicContact CG-CG1 3.99Å
270	T	55.4	Low	64	Low	44 Å²	44	77.2 Å²	77.2	27%	0.27	40%	0.398	S	S	.	.			trans	-105.2	96.6	173.7	-55.7	0	0	0	0	106.5	S206 H268 L272	S206-T270 CarbonylContact O-C 3.32Å; S206-T270 PolarHBondContact O-N 3.1Å; S206-T270 PolarHBondContact OG-O 3.09Å; H268-T270 PolarHBondContact O-N 2.99Å; H268-T270 PolarHBondContact O-OG1 2.93Å; T270-L272 HydrophobicContact CG2-CD1 4.13Å; T270-L272 WeakPolarHBondContact O-CD1 3.49Å; T270-L272 PolarHBondContact O-N 3.34Å; T270-L272 VanDerWaalsContact O-N 3.15Å
271	I	60.3	Low	66.4	Low	83 Å²	83	68.9 Å²	68.9	43%	0.426	37%	0.366	S	S	.	.			trans	-71.5	113.4	-178.2	-54.9	174.6	0	0	0	108.9	Q202 S206 L269 F273	Q202-I271 HydrophobicContact CB-CG2 4.02Å; Q202-I271 HydrophobicContact CG-CG2 4.1Å; S206-I271 WeakPolarHBondContact OG-CA 3.45Å; L269-I271 HydrophobicContact CD1-CG1 4.46Å; L269-I271 HydrophobicContact CD2-CD1 4.34Å; L269-I271 HydrophobicContact CD2-CG1 4.27Å; L269-I271 HydrophobicContact CG-CG1 3.99Å; I271-F273 PolarHBondContact O-N 3.03Å
272	L	75.1	Confident	69.1	Low	31 Å²	31	58.5 Å²	58.5	16%	0.162	33%	0.326	C	S	.	.			trans	-83.3	110.5	176.9	-88.2	74.3	0	0	0	108.6	Y203 S206 Y217 T270 H312	Y203-L272 HydrophobicContact CD2-CB 4.26Å; Y203-L272 PolarHBondContact N-O 3.41Å; S206-L272 PolarHBondContact OG-N 3.44Å; Y217-L272 HydrophobicContact CE1-CD2 4.08Å; T270-L272 HydrophobicContact CG2-CD1 4.13Å; T270-L272 WeakPolarHBondContact O-CD1 3.49Å; T270-L272 PolarHBondContact O-N 3.34Å; T270-L272 VanDerWaalsContact O-N 3.15Å; L272-H312 HydrophobicContact CD2-CB 4.44Å
273	F	85.5	Confident	71.4	Confident	26 Å²	26	59.1 Å²	59.1	11%	0.114	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	137.1	171.3	79.1	-85.5	0	0	0	109.8	L200 I253 I271 V276 S309 H312 V316	L200-F273 HydrophobicContact CD1-CB 3.84Å; I253-F273 HydrophobicContact CD1-CB 4.22Å; I253-F273 HydrophobicContact CD1-CD1 3.75Å; I253-F273 HydrophobicContact CD1-CD2 4.09Å; I253-F273 HydrophobicContact CD1-CE1 4.09Å; I253-F273 HydrophobicContact CD1-CE2 4.4Å; I253-F273 HydrophobicContact CD1-CG 3.75Å; I253-F273 HydrophobicContact CD1-CZ 4.4Å; I253-F273 HydrophobicContact CG1-CD1 4.24Å; I253-F273 HydrophobicContact CG1-CG 4.41Å; I253-F273 HydrophobicContact CG2-CD1 3.77Å; I253-F273 HydrophobicContact CG2-CE1 4.02Å; I271-F273 PolarHBondContact O-N 3.03Å; F273-V276 HydrophobicContact CD2-CG2 4.34Å; F273-S309 VanDerWaalsContact CZ-CB 3.48Å; F273-H312 PolarHBondContact O-CE1 2.94Å; F273-H312 VanDerWaalsContact O-CE1 3.22Å; F273-V316 HydrophobicContact CZ-CG2 4.12Å
274	L	88.8	Confident	73.7	Confident	10 Å²	10	52.9 Å²	52.9	5%	0.052	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-55.8	177.8	-70.9	174.5	0	0	0	110.2	Y201 Y203 V221 S309 A310	Y201-L274 PolarHBondContact O-N 3.36Å; Y203-L274 HydrophobicContact CD1-CD1 4.2Å; Y203-L274 HydrophobicContact CD2-CD2 4.21Å; Y203-L274 HydrophobicContact CD2-CG 4.44Å; Y203-L274 HydrophobicContact CE1-CD1 3.9Å; Y203-L274 HydrophobicContact CE1-CD2 4.2Å; Y203-L274 HydrophobicContact CE1-CG 4.41Å; Y203-L274 HydrophobicContact CE2-CD2 3.5Å; Y203-L274 VanDerWaalsContact CE2-CD2 3.5Å; Y203-L274 HydrophobicContact CE2-CG 4.17Å; V221-L274 HydrophobicContact CB-CD1 4.49Å; V221-L274 HydrophobicContact CG1-CD1 4.02Å; V221-L274 HydrophobicContact CG2-CD1 3.75Å; L274-S309 CarbonylContact O-C 3.56Å; L274-S309 VanDerWaalsContact O-C 3.29Å; L274-S309 WeakPolarHBondContact O-CA 3.37Å; L274-S309 PolarHBondContact O-N 3.26Å; L274-A310 HydrophobicContact CD2-CB 4.3Å; L274-A310 PolarHBondContact O-N 3.22Å; L274-A310 VanDerWaalsContact O-N 3.1Å
275	F	92.8	Very high	75.9	Confident	32 Å²	32	47.3 Å²	47.3	14%	0.14	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	157.9	177.3	48.4	-89.2	0	0	0	111.8	Y201 E277 F307	Y201-F275 AromaticContact CD1-CE2 3.63Å; Y201-F275 HydrophobicContact CD1-CE2 3.63Å; Y201-F275 AromaticContact CD1-CZ 3.69Å; Y201-F275 HydrophobicContact CD1-CZ 3.69Å; Y201-F275 AromaticContact CD2-CD2 3.31Å; Y201-F275 HydrophobicContact CD2-CD2 3.31Å; Y201-F275 AromaticContact CD2-CE2 3.12Å; Y201-F275 HydrophobicContact CD2-CE2 3.12Å; Y201-F275 HydrophobicContact CD2-CG 4.3Å; Y201-F275 AromaticContact CD2-CZ 3.98Å; Y201-F275 HydrophobicContact CD2-CZ 3.98Å; Y201-F275 AromaticContact CE1-CE2 3.83Å; Y201-F275 HydrophobicContact CE1-CE2 3.83Å; Y201-F275 HydrophobicContact CE1-CZ 4.1Å; Y201-F275 AromaticContact CE2-CD2 3.78Å; Y201-F275 HydrophobicContact CE2-CD2 3.78Å; Y201-F275 AromaticContact CE2-CE2 3.37Å; Y201-F275 HydrophobicContact CE2-CE2 3.37Å; Y201-F275 HydrophobicContact CE2-CZ 4.38Å; Y201-F275 AromaticContact CG-CD2 3.72Å; Y201-F275 HydrophobicContact CG-CD2 3.72Å; Y201-F275 HydrophobicContact CG-CE1 4.35Å; Y201-F275 AromaticContact CG-CE2 3.24Å; Y201-F275 HydrophobicContact CG-CE2 3.24Å; Y201-F275 HydrophobicContact CG-CG 4.45Å; Y201-F275 AromaticContact CG-CZ 3.59Å; Y201-F275 HydrophobicContact CG-CZ 3.59Å; Y201-F275 AromaticContact CZ-CE2 3.69Å; Y201-F275 PolarHBondContact N-O 3.45Å; Y201-F275 PolarHBondContact O-N 3.32Å; F275-E277 HydrophobicContact CD2-CG 4.14Å; F275-F307 CarbonylContact C-O 3.58Å; F275-F307 WeakPolarHBondContact CA-O 3.37Å; F275-F307 WeakPolarHBondContact CB-O 3.22Å
276	V	93.5	Very high	78.2	Confident	4 Å²	4	40.5 Å²	40.5	2%	0.024	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.9	173.5	178	0	0	0	0	109.1	F145 L149 I198 C199 L200 I253 F273 R306 F307	F145-V276 HydrophobicContact CE2-CG2 4.45Å; F145-V276 HydrophobicContact CZ-CB 4.3Å; F145-V276 HydrophobicContact CZ-CG2 3.93Å; L149-V276 HydrophobicContact CD2-CG1 4.29Å; I198-V276 HydrophobicContact CD1-CG1 3.89Å; I198-V276 HydrophobicContact CG1-CG1 3.85Å; C199-V276 WeakPolarHBondContact O-CA 3.46Å; L200-V276 HydrophobicContact CD1-CG2 3.54Å; I253-V276 HydrophobicContact CD1-CG2 4.21Å; F273-V276 HydrophobicContact CD2-CG2 4.34Å; V276-R306 WeakPolarHBondContact O-CA 3.29Å; V276-F307 HydrophobicContact CB-CB 4.33Å; V276-F307 HydrophobicContact CB-CD2 4.45Å; V276-F307 PolarHBondContact N-O 3.26Å; V276-F307 PolarHBondContact O-N 3.03Å
277	E	95.1	Very high	79.9	Confident	24 Å²	24	40.7 Å²	40.7	11%	0.112	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.5	178.8	-70	174.4	166.1	0	0	109.9	I198 C199 Y201 F275 M279 V304 I305 R306	I198-E277 CarbonylContact C-O 3.58Å; I198-E277 WeakPolarHBondContact CA-O 3.38Å; C199-E277 HydrophobicContact CB-CB 4.47Å; C199-E277 PolarHBondContact N-O 3.07Å; C199-E277 PolarHBondContact O-N 3.2Å; Y201-E277 HydrophobicContact CE2-CB 4.44Å; Y201-E277 HydrophobicContact CE2-CG 4.16Å; Y201-E277 WeakPolarHBondContact CE2-OE2 3.13Å; Y201-E277 PolarHBondContact OH-OE2 3.46Å; F275-E277 HydrophobicContact CD2-CG 4.14Å; E277-M279 HydrophobicContact CB-CG 4.31Å; E277-V304 HydrophobicContact CB-CG1 4.18Å; E277-V304 HydrophobicContact CG-CG1 4.15Å; E277-I305 CarbonylContact C-O 3.49Å; E277-I305 WeakPolarHBondContact CA-O 2.95Å; E277-R306 HydrophobicContact CG-CB 4.46Å; E277-R306 HydrophobicContact CG-CG 4.3Å; E277-R306 IonicContact OE1-NH1 3.54Å; E277-R306 PolarHBondContact OE1-NH1 3.36Å
278	L	93.3	Very high	81.2	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	122.3	164.5	-62.1	174.8	0	0	0	108.5	L149 A152 M196 L197 I198 I228 V304 I305 F307	L149-L278 HydrophobicContact CD2-CD1 3.75Å; L149-L278 HydrophobicContact CD2-CD2 4.24Å; L149-L278 HydrophobicContact CD2-CG 4.03Å; A152-L278 HydrophobicContact CB-CD1 3.72Å; M196-L278 HydrophobicContact SD-CB 3.95Å; M196-L278 HydrophobicContact SD-CD1 4.14Å; M196-L278 HydrophobicContact SD-CD2 3.95Å; M196-L278 HydrophobicContact SD-CG 4.25Å; L197-L278 WeakPolarHBondContact O-CA 3.38Å; I198-L278 HydrophobicContact CB-CD2 3.78Å; I198-L278 HydrophobicContact CD1-CD2 3.84Å; I198-L278 HydrophobicContact CG1-CD2 3.69Å; I228-L278 HydrophobicContact CD1-CD2 4.11Å; L278-V304 WeakPolarHBondContact O-CA 3.3Å; L278-I305 HydrophobicContact CB-CB 4.19Å; L278-I305 HydrophobicContact CB-CD1 4.41Å; L278-I305 HydrophobicContact CD1-CD1 4.32Å; L278-I305 PolarHBondContact N-O 3.17Å; L278-I305 PolarHBondContact O-N 3.44Å; L278-F307 HydrophobicContact CD1-CE2 4.22Å
279	M	93.7	Very high	81.8	Confident	62 Å²	62	48.3 Å²	48.3	31%	0.305	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	134.9	-175	-49.8	175.7	71.2	0	0	110	L197 E277 V304	L197-M279 HydrophobicContact CB-CB 4.29Å; L197-M279 HydrophobicContact CD2-SD 4.13Å; L197-M279 PolarHBondContact N-O 2.84Å; L197-M279 PolarHBondContact O-N 3.04Å; E277-M279 HydrophobicContact CB-CG 4.31Å; M279-V304 HydrophobicContact CE-CG2 4.1Å; M279-V304 HydrophobicContact CG-CG1 4.17Å; M279-V304 HydrophobicContact CG-CG2 4.16Å
280	F	91.4	Very high	82.1	Confident	10 Å²	10	47.3 Å²	47.3	4%	0.044	23%	0.228	C	C	.	.			trans	-152.6	165.9	172.6	53.2	-85.6	0	0	0	109.5	F117 Y170 M196 L282 P303 I305	F117-F280 HydrophobicContact CD1-CE1 4.42Å; F117-F280 HydrophobicContact CD1-CZ 4.01Å; F117-F280 AromaticContact CD2-CZ 3.82Å; F117-F280 HydrophobicContact CD2-CZ 3.82Å; F117-F280 HydrophobicContact CE1-CE1 4.2Å; F117-F280 HydrophobicContact CE1-CE2 4.19Å; F117-F280 AromaticContact CE1-CZ 3.6Å; F117-F280 HydrophobicContact CE1-CZ 3.6Å; F117-F280 AromaticContact CE2-CE2 3.74Å; F117-F280 HydrophobicContact CE2-CE2 3.74Å; F117-F280 AromaticContact CE2-CZ 3.42Å; F117-F280 HydrophobicContact CE2-CZ 3.42Å; F117-F280 VanDerWaalsContact CE2-CZ 3.42Å; F117-F280 HydrophobicContact CG-CZ 4.11Å; F117-F280 HydrophobicContact CZ-CE1 4.29Å; F117-F280 AromaticContact CZ-CE2 3.51Å; F117-F280 HydrophobicContact CZ-CE2 3.51Å; F117-F280 AromaticContact CZ-CZ 3.28Å; F117-F280 HydrophobicContact CZ-CZ 3.28Å; Y170-F280 HydrophobicContact CD2-CB 4.47Å; Y170-F280 HydrophobicContact CD2-CD1 4.45Å; Y170-F280 AromaticContact CD2-CD2 3.93Å; Y170-F280 HydrophobicContact CD2-CD2 3.93Å; Y170-F280 HydrophobicContact CD2-CE2 4.25Å; Y170-F280 HydrophobicContact CD2-CG 4.03Å; Y170-F280 HydrophobicContact CE2-CB 3.69Å; Y170-F280 HydrophobicContact CE2-CD1 4.45Å; Y170-F280 AromaticContact CE2-CD2 3.6Å; Y170-F280 HydrophobicContact CE2-CD2 3.6Å; Y170-F280 HydrophobicContact CE2-CE2 4.34Å; Y170-F280 AromaticContact CE2-CG 3.66Å; Y170-F280 HydrophobicContact CE2-CG 3.66Å; M196-F280 HydrophobicContact CE-CD1 3.67Å; M196-F280 HydrophobicContact CE-CE1 3.94Å; M196-F280 HydrophobicContact CE-CG 4.39Å; M196-F280 HydrophobicContact CG-CB 4.38Å; M196-F280 HydrophobicContact CG-CD1 4.07Å; M196-F280 HydrophobicContact SD-CD1 4.28Å; F280-L282 HydrophobicContact CD2-CD1 4.3Å; F280-L282 HydrophobicContact CD2-CD2 4.03Å; F280-L282 HydrophobicContact CD2-CG 3.88Å; F280-L282 HydrophobicContact CE2-CD1 3.79Å; F280-L282 HydrophobicContact CE2-CD2 4.26Å; F280-L282 HydrophobicContact CE2-CG 3.89Å; F280-P303 HydrophobicContact CD2-CG 4.29Å; F280-P303 HydrophobicContact CE1-CB 4.28Å; F280-P303 HydrophobicContact CE2-CB 3.94Å; F280-P303 HydrophobicContact CE2-CG 3.67Å; F280-P303 HydrophobicContact CZ-CB 3.74Å; F280-P303 HydrophobicContact CZ-CG 3.99Å; F280-P303 PolarHBondContact N-O 3.24Å; F280-P303 WeakPolarHBondContact O-CD 3.27Å; F280-I305 HydrophobicContact CE1-CD1 4.27Å
281	S	91.2	Very high	81.9	Confident	31 Å²	31	48.9 Å²	48.9	22%	0.217	24%	0.238	C	C	.	.			trans	-120.6	126.7	-179.8	-64.4	0	0	0	0	110.6	N184 R300 L301 D302	N184-S281 WeakPolarHBondContact CB-O 3.49Å; N184-S281 PolarHBondContact N-O 2.95Å; N184-S281 VanDerWaalsContact N-O 3.16Å; S281-R300 PolarHBondContact OG-NH1 3Å; S281-L301 WeakPolarHBondContact CA-O 3.28Å; S281-D302 VanDerWaalsContact CB-OD1 3.29Å; S281-D302 WeakPolarHBondContact CB-OD1 3.37Å; S281-D302 PolarHBondContact OG-OD1 3.01Å
282	L	91	Very high	81.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	150.4	173.6	-57.4	177.5	0	0	0	109.7	L113 L173 Y181 E182 Y183 F280 R300 L301 P303	L113-L282 HydrophobicContact CD2-CD1 3.84Å; L173-L282 HydrophobicContact CD2-CD1 3.55Å; L173-L282 HydrophobicContact CD2-CD2 3.45Å; L173-L282 VanDerWaalsContact CD2-CD2 3.45Å; L173-L282 HydrophobicContact CD2-CG 4.11Å; Y181-L282 HydrophobicContact CD1-CD1 4.35Å; Y181-L282 HydrophobicContact CG-CD1 4.45Å; E182-L282 CarbonylContact O-C 3.59Å; E182-L282 WeakPolarHBondContact O-CA 3.36Å; Y183-L282 HydrophobicContact CD1-CD2 4.19Å; F280-L282 HydrophobicContact CD2-CD1 4.3Å; F280-L282 HydrophobicContact CD2-CD2 4.03Å; F280-L282 HydrophobicContact CD2-CG 3.88Å; F280-L282 HydrophobicContact CE2-CD1 3.79Å; F280-L282 HydrophobicContact CE2-CD2 4.26Å; F280-L282 HydrophobicContact CE2-CG 3.89Å; L282-R300 CarbonylContact O-C 3.58Å; L282-R300 VanDerWaalsContact O-CA 3.29Å; L282-R300 WeakPolarHBondContact O-CA 3.49Å; L282-L301 HydrophobicContact CB-CB 4.43Å; L282-L301 PolarHBondContact N-O 3.27Å; L282-L301 PolarHBondContact O-N 2.87Å; L282-L301 VanDerWaalsContact O-O 3.13Å; L282-P303 HydrophobicContact CD1-CG 4.33Å
283	K	90.2	Very high	80.6	Confident	68 Å²	68	45.2 Å²	45.2	30%	0.296	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	145.2	166.7	-72	179	177.8	164.7	0	108.6	Y181 E182 N184 F299	Y181-K283 CarbonylContact C-O 3.56Å; Y181-K283 WeakPolarHBondContact CA-O 3.43Å; E182-K283 PolarHBondContact N-O 3.18Å; E182-K283 PolarHBondContact O-N 3.4Å; N184-K283 WeakPolarHBondContact OD1-CE 3.25Å; N184-K283 PolarHBondContact OD1-NZ 3.35Å; K283-F299 CarbonylContact C-O 3.58Å; K283-F299 VanDerWaalsContact CA-O 3.28Å; K283-F299 WeakPolarHBondContact CA-O 3.45Å
284	T	90.7	Very high	79.2	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	159.8	175.7	177.7	0	0	0	0	108.9	F105 N180 C298 F299 L301	F105-T284 HydrophobicContact CE1-CG2 4.03Å; F105-T284 HydrophobicContact CZ-CG2 3.63Å; N180-T284 PolarHBondContact OD1-OG1 3.35Å; T284-C298 WeakPolarHBondContact O-CA 3.48Å; T284-F299 HydrophobicContact CG2-CB 3.89Å; T284-F299 PolarHBondContact N-O 3.22Å; T284-F299 PolarHBondContact O-N 3.43Å; T284-L301 HydrophobicContact CG2-CD1 3.75Å; T284-L301 HydrophobicContact CG2-CD2 4.35Å; T284-L301 HydrophobicContact CG2-CG 3.8Å
285	I	87.7	Confident	78	Confident	72 Å²	72	50 Å²	50	37%	0.369	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	121.6	-179.8	-61.8	172.9	0	0	0	108.4	N180 V287 P296 D297	N180-I285 PolarHBondContact ND2-N 3.39Å; N180-I285 PolarHBondContact ND2-O 3.01Å; I285-V287 HydrophobicContact CG2-CG2 4.34Å; I285-P296 HydrophobicContact CG2-CB 3.5Å; I285-P296 HydrophobicContact CG2-CG 3.98Å; I285-D297 CarbonylContact C-O 3.38Å; I285-D297 WeakPolarHBondContact CA-O 3.43Å
286	H	84.5	Confident	77.3	Confident	34 Å²	34	49.5 Å²	49.5	16%	0.157	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	115	172.1	-175.4	63.2	0	0	0	109.9	F105 P296 D297 F299	F105-H286 HydrophobicContact CD1-CB 4.09Å; F105-H286 HydrophobicContact CD2-CB 4.06Å; F105-H286 AromaticContact CD2-CE1 3.87Å; F105-H286 AromaticContact CD2-CG 3.76Å; F105-H286 AromaticContact CD2-ND1 3.08Å; F105-H286 WeakPolarHBondContact CD2-ND1 3.29Å; F105-H286 HydrophobicContact CE1-CB 3.98Å; F105-H286 HydrophobicContact CE2-CB 3.92Å; F105-H286 AromaticContact CE2-ND1 3.64Å; F105-H286 HydrophobicContact CG-CB 4.12Å; F105-H286 AromaticContact CG-CG 3.77Å; F105-H286 AromaticContact CG-ND1 3.41Å; F105-H286 WeakPolarHBondContact CG-ND1 3.47Å; F105-H286 HydrophobicContact CZ-CB 3.88Å; H286-P296 WeakPolarHBondContact O-CA 3.46Å; H286-P296 WeakPolarHBondContact O-CB 3.31Å; H286-D297 HydrophobicContact CB-CB 4.49Å; H286-D297 PolarHBondContact N-O 3.22Å; H286-D297 PolarHBondContact O-N 3.49Å; H286-F299 HydrophobicContact CB-CD2 4.07Å; H286-F299 HydrophobicContact CB-CE2 3.71Å
287	V	77.7	Confident	76.6	Confident	75 Å²	75	49.8 Å²	49.8	46%	0.455	25%	0.25	S	C	.	.			trans	-91.7	107.7	174.7	-176.6	0	0	0	0	108.7	I285 R289 P296 M333	I285-V287 HydrophobicContact CG2-CG2 4.34Å; V287-R289 PolarHBondContact O-N 3.33Å; V287-P296 HydrophobicContact CG2-CB 4.18Å; V287-M333 HydrophobicContact CG1-CE 3.87Å; V287-M333 HydrophobicContact CG2-CE 3.98Å
288	R	69.1	Low	76.3	Confident	62 Å²	62	49.7 Å²	49.7	23%	0.234	25%	0.252	C	S	.	.			trans	-66.2	124.6	174.9	-62.1	-175.8	-171.1	-177.3	3.1	109.3	D297	R288-D297 IonicContact CZ-OD1 3.51Å; R288-D297 IonicContact CZ-OD2 2.75Å; R288-D297 IonicContact NE-OD2 3.99Å; R288-D297 PolarHBondContact NE-OD2 3.42Å; R288-D297 IonicContact NH2-OD1 2.91Å; R288-D297 PolarHBondContact NH2-OD1 3.46Å; R288-D297 IonicContact NH2-OD2 2.92Å; R288-D297 PolarHBondContact NH2-OD2 3.39Å
289	R	62	Low	76	Confident	248 Å²	248	49.9 Å²	49.9	94%	0.936	25%	0.252	S	S	*	.			trans	-84.2	-9.5	175.9	-70.1	-175	179.8	169.1	1.3	113.3	V287	V287-R289 PolarHBondContact O-N 3.33Å
290	T	55.4	Low	75.9	Confident	74 Å²	74	49.6 Å²	49.6	45%	0.454	25%	0.248	S	C	.	.	S	Bend	trans	-129.1	110	-169.8	50.9	0	0	0	0	113.8	S292	T290-S292 PolarHBondContact O-N 3.08Å; T290-S292 VanDerWaalsContact O-N 3.12Å
291	T	51.2	Low	76	Confident	77 Å²	77	49.1 Å²	49.1	47%	0.472	25%	0.246	S	C	.	.	S	Bend	trans	65.6	-33.9	144.9	61	0	0	0	0	124.3	Y342	T291-Y342 VanDerWaalsContact CB-CE1 3.42Å; T291-Y342 WeakPolarHBondContact O-CB 3.46Å; T291-Y342 WeakPolarHBondContact O-CD1 3.34Å; T291-Y342 WeakPolarHBondContact OG1-CE1 3.43Å
292	S	53	Low	76.1	Confident	16 Å²	16	48.9 Å²	48.9	11%	0.112	24%	0.242	C	C	.	.	S	Bend	trans	-102.8	-20.5	-170.5	61.5	0	0	0	0	117.4	T290 R343	T290-S292 PolarHBondContact O-N 3.08Å; T290-S292 VanDerWaalsContact O-N 3.12Å; S292-R343 VanDerWaalsContact O-CB 3.31Å; S292-R343 WeakPolarHBondContact O-CB 3.28Å; S292-R343 WeakPolarHBondContact O-CG 3.36Å; S292-R343 PolarHBondContact O-NE 3.08Å
293	S	55.5	Low	76.2	Confident	22 Å²	22	48.9 Å²	48.9	15%	0.154	24%	0.242	C	C	.	.			trans	-145.8	116.8	-174.7	176.4	0	0	0	0	110	L295 R343	S293-L295 PolarHBondContact O-N 3.32Å; S293-L295 PolarHBondContact OG-N 3.34Å; S293-L295 PolarHBondContact OG-O 3.28Å; S293-L295 VanDerWaalsContact OG-O 3.1Å; S293-R343 PolarHBondContact OG-NH2 2.71Å
294	D	54.6	Low	76.5	Confident	49 Å²	49	46.8 Å²	46.8	26%	0.262	24%	0.235	S	C	.	.	S	Bend	trans	-69.5	-6.3	172.1	-61.5	-35.1	0	0	0	112.3	M333 A335 G339 R340	D294-M333 VanDerWaalsContact O-CB 3.22Å; D294-M333 WeakPolarHBondContact O-CB 3.29Å; D294-A335 HydrophobicContact CB-CB 3.8Å; D294-G339 WeakPolarHBondContact OD1-CA 3.49Å; D294-R340 PolarHBondContact OD2-N 2.71Å
295	L	65.1	Low	76.7	Confident	86 Å²	86	46.7 Å²	46.7	45%	0.45	23%	0.234	S	C	.	.	S	Bend	trans	-101.4	133.9	-177.9	-69	159.3	0	0	0	110.1	S293	S293-L295 PolarHBondContact O-N 3.32Å; S293-L295 PolarHBondContact OG-N 3.34Å; S293-L295 PolarHBondContact OG-O 3.28Å; S293-L295 VanDerWaalsContact OG-O 3.1Å
296	P	77.6	Confident	77	Confident	22 Å²	22	46.3 Å²	46.3	14%	0.143	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-72.8	153	174.3	35.2	-36.8	0	0	0	110.3	I285 H286 V287 C329 M333	I285-P296 HydrophobicContact CG2-CB 3.5Å; I285-P296 HydrophobicContact CG2-CG 3.98Å; H286-P296 WeakPolarHBondContact O-CA 3.46Å; H286-P296 WeakPolarHBondContact O-CB 3.31Å; V287-P296 HydrophobicContact CG2-CB 4.18Å; P296-C329 PolarHBondContact O-SG 3.04Å; P296-M333 HydrophobicContact CB-CE 3.81Å; P296-M333 HydrophobicContact CG-CE 3.66Å; P296-M333 HydrophobicContact CG-SD 4.44Å
297	D	79.8	Confident	77.6	Confident	10 Å²	10	44.8 Å²	44.8	5%	0.053	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	129.4	175.5	-64.6	-41.8	0	0	0	109.7	I285 H286 R288 F299 Y326	I285-D297 CarbonylContact C-O 3.38Å; I285-D297 WeakPolarHBondContact CA-O 3.43Å; H286-D297 HydrophobicContact CB-CB 4.49Å; H286-D297 PolarHBondContact N-O 3.22Å; H286-D297 PolarHBondContact O-N 3.49Å; R288-D297 IonicContact CZ-OD1 3.51Å; R288-D297 IonicContact CZ-OD2 2.75Å; R288-D297 IonicContact NE-OD2 3.99Å; R288-D297 PolarHBondContact NE-OD2 3.42Å; R288-D297 IonicContact NH2-OD1 2.91Å; R288-D297 PolarHBondContact NH2-OD1 3.46Å; R288-D297 IonicContact NH2-OD2 2.92Å; R288-D297 PolarHBondContact NH2-OD2 3.39Å; D297-F299 HydrophobicContact CB-CD2 4.23Å; D297-F299 HydrophobicContact CB-CE2 3.42Å; D297-F299 VanDerWaalsContact CB-CE2 3.42Å; D297-F299 HydrophobicContact CB-CZ 3.76Å; D297-Y326 HydrophobicContact CB-CD2 4.48Å; D297-Y326 HydrophobicContact CB-CE2 3.75Å; D297-Y326 WeakPolarHBondContact OD1-CE2 3.48Å; D297-Y326 PolarHBondContact OD1-OH 3.27Å
298	C	86.9	Confident	78.4	Confident	23 Å²	23	43.3 Å²	43.3	16%	0.155	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	129.2	172.4	-60.9	0	0	0	0	108.7	T284 V327 C329	T284-C298 WeakPolarHBondContact O-CA 3.48Å; C298-V327 HydrophobicContact CB-CB 4.41Å; C298-V327 WeakPolarHBondContact CB-O 3.43Å; C298-V327 PolarHBondContact O-N 2.92Å; C298-C329 WeakPolarHBondContact CA-SG 3.38Å; C298-C329 HydrophobicContact CB-CB 4.22Å; C298-C329 WeakPolarHBondContact CB-SG 3.38Å; C298-C329 PolarHBondContact N-SG 3.33Å; C298-C329 WeakPolarHBondContact SG-CB 3.31Å; C298-C329 CovalentContact SG-SG 2Å; C298-C329 PolarHBondContact SG-SG 2.8Å
299	F	88.8	Confident	79.5	Confident	4 Å²	4	40.9 Å²	40.9	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	140.8	175.2	-64.7	-83.2	0	0	0	110	H102 F105 K283 T284 H286 D297 L301 A324 E325 Y326	H102-F299 AromaticContact CD2-CE1 3.75Å; H102-F299 AromaticContact CD2-CZ 3.62Å; H102-F299 AromaticContact NE2-CE1 3.57Å; H102-F299 AromaticContact NE2-CZ 3.96Å; F105-F299 HydrophobicContact CD1-CD2 4Å; F105-F299 HydrophobicContact CD1-CE2 4.02Å; F105-F299 HydrophobicContact CE1-CB 4.39Å; F105-F299 AromaticContact CE1-CD2 3.43Å; F105-F299 HydrophobicContact CE1-CD2 3.43Å; F105-F299 VanDerWaalsContact CE1-CD2 3.43Å; F105-F299 AromaticContact CE1-CE2 3.91Å; F105-F299 HydrophobicContact CE1-CE2 3.91Å; F105-F299 HydrophobicContact CE1-CG 4.03Å; F105-F299 HydrophobicContact CZ-CD2 4.27Å; K283-F299 CarbonylContact C-O 3.58Å; K283-F299 VanDerWaalsContact CA-O 3.28Å; K283-F299 WeakPolarHBondContact CA-O 3.45Å; T284-F299 HydrophobicContact CG2-CB 3.89Å; T284-F299 PolarHBondContact N-O 3.22Å; T284-F299 PolarHBondContact O-N 3.43Å; H286-F299 HydrophobicContact CB-CD2 4.07Å; H286-F299 HydrophobicContact CB-CE2 3.71Å; D297-F299 HydrophobicContact CB-CD2 4.23Å; D297-F299 HydrophobicContact CB-CE2 3.42Å; D297-F299 VanDerWaalsContact CB-CE2 3.42Å; D297-F299 HydrophobicContact CB-CZ 3.76Å; F299-L301 HydrophobicContact CB-CD2 4.28Å; F299-A324 HydrophobicContact CD1-CB 4.47Å; F299-E325 CarbonylContact C-O 3.56Å; F299-E325 WeakPolarHBondContact CA-O 3.48Å; F299-Y326 HydrophobicContact CE1-CD2 4.19Å; F299-Y326 HydrophobicContact CZ-CD2 4.46Å
300	R	90.9	Very high	80.8	Confident	56 Å²	56	30.5 Å²	30.5	21%	0.211	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	111.5	159.6	-175.8	175.5	78.3	100.5	0.3	107.4	S281 L282 D302 E325 V327	S281-R300 PolarHBondContact OG-NH1 3Å; L282-R300 CarbonylContact O-C 3.58Å; L282-R300 VanDerWaalsContact O-CA 3.29Å; L282-R300 WeakPolarHBondContact O-CA 3.49Å; R300-D302 IonicContact CZ-OD1 2.71Å; R300-D302 IonicContact CZ-OD2 2.75Å; R300-D302 IonicContact NE-OD1 3.81Å; R300-D302 IonicContact NE-OD2 2.67Å; R300-D302 VanDerWaalsContact NH1-CG 3.27Å; R300-D302 IonicContact NH1-OD1 3.08Å; R300-D302 PolarHBondContact NH1-OD1 3.44Å; R300-D302 IonicContact NH1-OD2 3.98Å; R300-D302 PolarHBondContact NH1-OD2 2.97Å; R300-D302 IonicContact NH2-OD2 3.4Å; R300-D302 PolarHBondContact NH2-OD2 3.46Å; R300-E325 IonicContact CZ-OE2 2.81Å; R300-E325 PolarHBondContact N-O 2.88Å; R300-E325 IonicContact NE-OE2 2.88Å; R300-E325 VanDerWaalsContact NH2-CD 3.32Å; R300-E325 IonicContact NH2-OE1 2.7Å; R300-E325 IonicContact NH2-OE2 3.16Å; R300-E325 PolarHBondContact NH2-OE2 3.4Å; R300-E325 PolarHBondContact O-N 3.2Å; R300-V327 HydrophobicContact CB-CG2 3.61Å
301	L	92.6	Very high	82.2	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	130.1	170.9	-55.1	-178.2	0	0	0	107.8	L113 Y181 S281 L282 T284 F299 P303 V322 K323 A324	L113-L301 HydrophobicContact CD1-CD1 4.16Å; Y181-L301 HydrophobicContact CD1-CD1 4.24Å; Y181-L301 HydrophobicContact CE1-CD1 3.76Å; S281-L301 WeakPolarHBondContact CA-O 3.28Å; L282-L301 HydrophobicContact CB-CB 4.43Å; L282-L301 PolarHBondContact N-O 3.27Å; L282-L301 PolarHBondContact O-N 2.87Å; L282-L301 VanDerWaalsContact O-O 3.13Å; T284-L301 HydrophobicContact CG2-CD1 3.75Å; T284-L301 HydrophobicContact CG2-CD2 4.35Å; T284-L301 HydrophobicContact CG2-CG 3.8Å; F299-L301 HydrophobicContact CB-CD2 4.28Å; L301-P303 VanDerWaalsContact C-CD 3.47Å; L301-P303 VanDerWaalsContact O-CD 3.3Å; L301-P303 WeakPolarHBondContact O-CD 3.25Å; L301-V322 HydrophobicContact CB-CG1 3.95Å; L301-V322 HydrophobicContact CD2-CG1 4.1Å; L301-V322 HydrophobicContact CG-CG1 4.44Å; L301-K323 CarbonylContact C-O 3.52Å; L301-K323 WeakPolarHBondContact CA-O 3.34Å; L301-A324 HydrophobicContact CD2-CB 3.71Å
302	D	93.1	Very high	83.9	Confident	26 Å²	26	34.1 Å²	34.1	14%	0.139	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	84.2	171.8	-66.4	-33.2	0	0	0	108.6	S281 R300 K323	S281-D302 VanDerWaalsContact CB-OD1 3.29Å; S281-D302 WeakPolarHBondContact CB-OD1 3.37Å; S281-D302 PolarHBondContact OG-OD1 3.01Å; R300-D302 IonicContact CZ-OD1 2.71Å; R300-D302 IonicContact CZ-OD2 2.75Å; R300-D302 IonicContact NE-OD1 3.81Å; R300-D302 IonicContact NE-OD2 2.67Å; R300-D302 VanDerWaalsContact NH1-CG 3.27Å; R300-D302 IonicContact NH1-OD1 3.08Å; R300-D302 PolarHBondContact NH1-OD1 3.44Å; R300-D302 IonicContact NH1-OD2 3.98Å; R300-D302 PolarHBondContact NH1-OD2 2.97Å; R300-D302 IonicContact NH2-OD2 3.4Å; R300-D302 PolarHBondContact NH2-OD2 3.46Å; D302-K323 HydrophobicContact CB-CB 4.46Å; D302-K323 PolarHBondContact N-O 3.02Å; D302-K323 PolarHBondContact O-N 3.36Å
303	P	94.2	Very high	85.5	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	137.7	174.2	-20	34.9	0	0	0	111.4	L113 F280 L282 L301 S321 V322	L113-P303 HydrophobicContact CD1-CG 3.92Å; F280-P303 HydrophobicContact CD2-CG 4.29Å; F280-P303 HydrophobicContact CE1-CB 4.28Å; F280-P303 HydrophobicContact CE2-CB 3.94Å; F280-P303 HydrophobicContact CE2-CG 3.67Å; F280-P303 HydrophobicContact CZ-CB 3.74Å; F280-P303 HydrophobicContact CZ-CG 3.99Å; F280-P303 PolarHBondContact N-O 3.24Å; F280-P303 WeakPolarHBondContact O-CD 3.27Å; L282-P303 HydrophobicContact CD1-CG 4.33Å; L301-P303 VanDerWaalsContact C-CD 3.47Å; L301-P303 VanDerWaalsContact O-CD 3.3Å; L301-P303 WeakPolarHBondContact O-CD 3.25Å; P303-S321 CarbonylContact C-O 3.51Å; P303-S321 WeakPolarHBondContact CA-O 3.49Å; P303-V322 HydrophobicContact CB-CG2 4.33Å; P303-V322 HydrophobicContact CG-CG2 4.48Å
304	V	95.4	Very high	87	Confident	24 Å²	24	39.4 Å²	39.4	15%	0.145	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	114.3	172.8	-177.5	0	0	0	0	108.2	E277 L278 M279 S321	E277-V304 HydrophobicContact CB-CG1 4.18Å; E277-V304 HydrophobicContact CG-CG1 4.15Å; L278-V304 WeakPolarHBondContact O-CA 3.3Å; M279-V304 HydrophobicContact CE-CG2 4.1Å; M279-V304 HydrophobicContact CG-CG1 4.17Å; M279-V304 HydrophobicContact CG-CG2 4.16Å; V304-S321 PolarHBondContact N-O 2.91Å; V304-S321 PolarHBondContact O-N 3.33Å; V304-S321 PolarHBondContact O-OG 3.23Å
305	I	95.2	Very high	88.8	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	114.3	172.2	-49.5	168.5	0	0	0	107	F117 L118 A152 E277 L278 F280 F307 V318 E319 L320	F117-I305 HydrophobicContact CB-CD1 3.7Å; F117-I305 HydrophobicContact CB-CG1 4.49Å; F117-I305 HydrophobicContact CD1-CD1 4.33Å; F117-I305 HydrophobicContact CG-CD1 4.16Å; L118-I305 HydrophobicContact CD2-CG2 4Å; A152-I305 HydrophobicContact CB-CD1 3.85Å; E277-I305 CarbonylContact C-O 3.49Å; E277-I305 WeakPolarHBondContact CA-O 2.95Å; L278-I305 HydrophobicContact CB-CB 4.19Å; L278-I305 HydrophobicContact CB-CD1 4.41Å; L278-I305 HydrophobicContact CD1-CD1 4.32Å; L278-I305 PolarHBondContact N-O 3.17Å; L278-I305 PolarHBondContact O-N 3.44Å; F280-I305 HydrophobicContact CE1-CD1 4.27Å; I305-F307 HydrophobicContact CB-CE2 4.45Å; I305-F307 HydrophobicContact CG2-CD2 4.36Å; I305-F307 HydrophobicContact CG2-CE2 3.63Å; I305-F307 HydrophobicContact CG2-CZ 3.96Å; I305-V318 HydrophobicContact CG2-CG1 4.18Å; I305-E319 WeakPolarHBondContact CA-O 3.3Å; I305-L320 HydrophobicContact CG1-CD1 4.08Å; I305-L320 HydrophobicContact CG1-CG 4.36Å
306	R	95.5	Very high	90.1	Very high	64 Å²	64	36.4 Å²	36.4	24%	0.242	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.2	-176.1	-177.4	-179.8	172.2	98.5	1.6	109.9	V276 E277 D308 V318 E319	V276-R306 WeakPolarHBondContact O-CA 3.29Å; E277-R306 HydrophobicContact CG-CB 4.46Å; E277-R306 HydrophobicContact CG-CG 4.3Å; E277-R306 IonicContact OE1-NH1 3.54Å; E277-R306 PolarHBondContact OE1-NH1 3.36Å; R306-D308 IonicContact CZ-OD2 2.68Å; R306-D308 IonicContact NE-OD2 3.96Å; R306-D308 PolarHBondContact NE-OD2 3.27Å; R306-D308 VanDerWaalsContact NE-OD2 3.16Å; R306-D308 IonicContact NH2-OD2 3.84Å; R306-D308 PolarHBondContact NH2-OD2 3.06Å; R306-V318 WeakPolarHBondContact O-CA 3.31Å; R306-E319 PolarHBondContact N-O 2.93Å; R306-E319 PolarHBondContact O-N 3.43Å
307	F	95.1	Very high	90.9	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.009	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	104.4	171.6	-62	-97.3	0	0	0	108.1	I139 F145 H148 L149 F275 V276 L278 I305 V316 L317 V318	I139-F307 HydrophobicContact CD1-CD1 3.84Å; I139-F307 HydrophobicContact CD1-CE1 3.66Å; F145-F307 AromaticContact CD2-CD1 3.99Å; F145-F307 HydrophobicContact CD2-CD1 3.99Å; F145-F307 HydrophobicContact CD2-CG 4.39Å; F145-F307 HydrophobicContact CE2-CB 3.91Å; F145-F307 AromaticContact CE2-CD1 3.97Å; F145-F307 HydrophobicContact CE2-CD1 3.97Å; F145-F307 AromaticContact CE2-CG 3.91Å; F145-F307 HydrophobicContact CE2-CG 3.91Å; H148-F307 HydrophobicContact CB-CE1 3.86Å; H148-F307 HydrophobicContact CB-CZ 4.2Å; L149-F307 HydrophobicContact CD2-CD2 4.05Å; L149-F307 HydrophobicContact CD2-CE2 3.53Å; L149-F307 HydrophobicContact CD2-CZ 3.9Å; L149-F307 HydrophobicContact CG-CZ 4.48Å; F275-F307 CarbonylContact C-O 3.58Å; F275-F307 WeakPolarHBondContact CA-O 3.37Å; F275-F307 WeakPolarHBondContact CB-O 3.22Å; V276-F307 HydrophobicContact CB-CB 4.33Å; V276-F307 HydrophobicContact CB-CD2 4.45Å; V276-F307 PolarHBondContact N-O 3.26Å; V276-F307 PolarHBondContact O-N 3.03Å; L278-F307 HydrophobicContact CD1-CE2 4.22Å; I305-F307 HydrophobicContact CB-CE2 4.45Å; I305-F307 HydrophobicContact CG2-CD2 4.36Å; I305-F307 HydrophobicContact CG2-CE2 3.63Å; I305-F307 HydrophobicContact CG2-CZ 3.96Å; F307-V316 HydrophobicContact CB-CG1 3.91Å; F307-L317 CarbonylContact C-O 3.5Å; F307-L317 WeakPolarHBondContact CA-O 3.3Å; F307-V318 HydrophobicContact CD1-CB 4.41Å; F307-V318 HydrophobicContact CD1-CG1 4.17Å; F307-V318 HydrophobicContact CD1-CG2 3.44Å; F307-V318 VanDerWaalsContact CD1-CG2 3.44Å; F307-V318 HydrophobicContact CE1-CG1 3.93Å; F307-V318 HydrophobicContact CE1-CG2 3.72Å; F307-V318 HydrophobicContact CG-CG2 4.34Å; F307-V318 HydrophobicContact CZ-CG1 4.29Å
308	D	94.4	Very high	91.6	Very high	45 Å²	45	39 Å²	39	24%	0.241	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	117.5	-173.3	-157	-41.3	0	0	0	112.1	R306 A310 V316 L317	R306-D308 IonicContact CZ-OD2 2.68Å; R306-D308 IonicContact NE-OD2 3.96Å; R306-D308 PolarHBondContact NE-OD2 3.27Å; R306-D308 VanDerWaalsContact NE-OD2 3.16Å; R306-D308 IonicContact NH2-OD2 3.84Å; R306-D308 PolarHBondContact NH2-OD2 3.06Å; D308-A310 VanDerWaalsContact OD1-CB 3.23Å; D308-A310 WeakPolarHBondContact OD1-CB 3.22Å; D308-A310 PolarHBondContact OD1-N 2.97Å; D308-V316 CarbonylContact O-C 3.5Å; D308-V316 VanDerWaalsContact O-CA 3.3Å; D308-V316 WeakPolarHBondContact O-CA 3.33Å; D308-L317 HydrophobicContact CB-CB 4.41Å; D308-L317 PolarHBondContact N-O 3.14Å; D308-L317 PolarHBondContact O-N 2.9Å
309	S	93	Very high	91.9	Very high	11 Å²	11	43.4 Å²	43.4	8%	0.077	23%	0.233	C	C	.	.			trans	-122.4	19.8	175.8	-159.3	0	0	0	0	112	F273 L274 M311 H312	F273-S309 VanDerWaalsContact CZ-CB 3.48Å; L274-S309 CarbonylContact O-C 3.56Å; L274-S309 VanDerWaalsContact O-C 3.29Å; L274-S309 WeakPolarHBondContact O-CA 3.37Å; L274-S309 PolarHBondContact O-N 3.26Å; S309-M311 PolarHBondContact O-N 3.27Å; S309-H312 PolarHBondContact O-CE1 3.29Å; S309-H312 PolarHBondContact O-N 3.17Å; S309-H312 PolarHBondContact O-ND1 2.89Å; S309-H312 VanDerWaalsContact O-ND1 3.08Å
310	A	89.1	Confident	92.2	Very high	30 Å²	30	43.3 Å²	43.3	25%	0.248	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.1	-171.9	0	0	0	0	0	114.3	L274 D308 H312	L274-A310 HydrophobicContact CD2-CB 4.3Å; L274-A310 PolarHBondContact O-N 3.22Å; L274-A310 VanDerWaalsContact O-N 3.1Å; D308-A310 VanDerWaalsContact OD1-CB 3.23Å; D308-A310 WeakPolarHBondContact OD1-CB 3.22Å; D308-A310 PolarHBondContact OD1-N 2.97Å; A310-H312 PolarHBondContact O-CD2 2.82Å
311	M	85.9	Confident	92.3	Very high	154 Å²	154	42.9 Å²	42.9	76%	0.759	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-10.1	177.7	-62.3	-67.3	98.6	0	0	113.7	S309 T313	S309-M311 PolarHBondContact O-N 3.27Å; M311-T313 HydrophobicContact CB-CG2 3.89Å; M311-T313 PolarHBondContact O-N 3.35Å; M311-T313 VanDerWaalsContact O-N 3.1Å
312	H	85.9	Confident	92.3	Very high	72 Å²	72	44 Å²	44	33%	0.333	25%	0.245	S	C	.	.			trans	51	33.4	179.4	-52.2	-62.9	0	0	0	115	Y203 L272 F273 S309 A310 G314	Y203-H312 AromaticContact CE2-NE2 3.88Å; L272-H312 HydrophobicContact CD2-CB 4.44Å; F273-H312 PolarHBondContact O-CE1 2.94Å; F273-H312 VanDerWaalsContact O-CE1 3.22Å; S309-H312 PolarHBondContact O-CE1 3.29Å; S309-H312 PolarHBondContact O-N 3.17Å; S309-H312 PolarHBondContact O-ND1 2.89Å; S309-H312 VanDerWaalsContact O-ND1 3.08Å; A310-H312 PolarHBondContact O-CD2 2.82Å; H312-G314 VanDerWaalsContact C-N 3.27Å; H312-G314 PolarHBondContact O-N 3.38Å
313	T	87.8	Confident	92.2	Very high	101 Å²	101	48.9 Å²	48.9	62%	0.62	27%	0.265	S	S	*	.	S	Bend	trans	-80.8	-1	-178	52.8	0	0	0	0	114.1	M311 Q315	M311-T313 HydrophobicContact CB-CG2 3.89Å; M311-T313 PolarHBondContact O-N 3.35Å; M311-T313 VanDerWaalsContact O-N 3.1Å; T313-Q315 PolarHBondContact O-N 2.96Å; T313-Q315 PolarHBondContact OG1-N 3.32Å
314	G	87.1	Confident	91.9	Very high	48 Å²	48	49.4 Å²	49.4	50%	0.495	27%	0.27	S	S	.	.	S	Bend	trans	82	-6.5	-167.9	0	0	0	0	0	114.1	H312	H312-G314 VanDerWaalsContact C-N 3.27Å; H312-G314 PolarHBondContact O-N 3.38Å
315	Q	90.8	Very high	91.5	Very high	59 Å²	59	51.3 Å²	51.3	28%	0.276	28%	0.277	S	S	.	.			trans	-100.8	123.1	171.1	-175.9	-179.6	14	0	0	109.3	A138 Y140 T313	A138-Q315 HydrophobicContact CB-CG 3.58Å; Y140-Q315 HydrophobicContact CD1-CB 4.26Å; Y140-Q315 HydrophobicContact CD1-CG 4.39Å; Y140-Q315 HydrophobicContact CE1-CB 3.82Å; Y140-Q315 HydrophobicContact CE1-CG 3.65Å; Y140-Q315 PolarHBondContact OH-NE2 3.45Å; T313-Q315 PolarHBondContact O-N 2.96Å; T313-Q315 PolarHBondContact OG1-N 3.32Å
316	V	92.9	Very high	90.8	Very high	14 Å²	14	54.3 Å²	54.3	9%	0.085	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	111.6	173.5	-177.1	0	0	0	0	108.5	A138 I139 F273 F307 D308	A138-V316 CarbonylContact C-O 3.57Å; A138-V316 WeakPolarHBondContact CA-O 3.22Å; I139-V316 HydrophobicContact CB-CB 4.37Å; I139-V316 PolarHBondContact N-O 3.03Å; I139-V316 PolarHBondContact O-N 3.38Å; F273-V316 HydrophobicContact CZ-CG2 4.12Å; F307-V316 HydrophobicContact CB-CG1 3.91Å; D308-V316 CarbonylContact O-C 3.5Å; D308-V316 VanDerWaalsContact O-CA 3.3Å; D308-V316 WeakPolarHBondContact O-CA 3.33Å
317	L	94.3	Very high	90.3	Very high	78 Å²	78	53.6 Å²	53.6	41%	0.408	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	136.2	179.1	-68.6	169.5	0	0	0	109.9	P136 A138 F307 D308	P136-L317 HydrophobicContact CB-CD2 3.81Å; P136-L317 HydrophobicContact CG-CD2 4.09Å; A138-L317 HydrophobicContact CB-CD2 4.13Å; F307-L317 CarbonylContact C-O 3.5Å; F307-L317 WeakPolarHBondContact CA-O 3.3Å; D308-L317 HydrophobicContact CB-CB 4.41Å; D308-L317 PolarHBondContact N-O 3.14Å; D308-L317 PolarHBondContact O-N 2.9Å
318	V	94.4	Very high	89.6	Confident	9 Å²	9	58.9 Å²	58.9	6%	0.055	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.8	179	-175.5	0	0	0	0	109.9	L118 Y137 I139 I305 R306 F307	L118-V318 HydrophobicContact CD2-CG1 3.72Å; Y137-V318 HydrophobicContact CD1-CB 3.69Å; Y137-V318 HydrophobicContact CD1-CG1 4.18Å; Y137-V318 HydrophobicContact CE1-CB 3.79Å; Y137-V318 HydrophobicContact CE1-CG1 3.94Å; Y137-V318 HydrophobicContact CE1-CG2 4.46Å; Y137-V318 PolarHBondContact O-N 3.4Å; I139-V318 HydrophobicContact CD1-CG2 3.55Å; I139-V318 HydrophobicContact CG1-CG2 3.79Å; I305-V318 HydrophobicContact CG2-CG1 4.18Å; R306-V318 WeakPolarHBondContact O-CA 3.31Å; F307-V318 HydrophobicContact CD1-CB 4.41Å; F307-V318 HydrophobicContact CD1-CG1 4.17Å; F307-V318 HydrophobicContact CD1-CG2 3.44Å; F307-V318 VanDerWaalsContact CD1-CG2 3.44Å; F307-V318 HydrophobicContact CE1-CG1 3.93Å; F307-V318 HydrophobicContact CE1-CG2 3.72Å; F307-V318 HydrophobicContact CG-CG2 4.34Å; F307-V318 HydrophobicContact CZ-CG1 4.29Å
319	E	93.7	Very high	88.8	Confident	115 Å²	115	59 Å²	59	54%	0.537	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	137.8	-180	-172.9	177.2	-177.3	0	0	110.6	I305 R306	I305-E319 WeakPolarHBondContact CA-O 3.3Å; R306-E319 PolarHBondContact N-O 2.93Å; R306-E319 PolarHBondContact O-N 3.43Å
320	L	94.6	Very high	88.2	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.005	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	115.2	168.3	-171.2	154.6	0	0	0	109.1	K110 L113 R114 F117 L118 I305 V322	K110-L320 WeakPolarHBondContact CE-O 3.23Å; L113-L320 HydrophobicContact CB-CD1 4.3Å; L113-L320 HydrophobicContact CB-CD2 4.09Å; L113-L320 WeakPolarHBondContact O-CD1 3.3Å; R114-L320 HydrophobicContact CG-CB 4.05Å; R114-L320 HydrophobicContact CG-CD2 4.3Å; F117-L320 HydrophobicContact CB-CD1 3.83Å; F117-L320 HydrophobicContact CD2-CD1 4.28Å; F117-L320 HydrophobicContact CG-CD1 4.47Å; L118-L320 HydrophobicContact CD1-CB 4.11Å; I305-L320 HydrophobicContact CG1-CD1 4.08Å; I305-L320 HydrophobicContact CG1-CG 4.36Å; L320-V322 HydrophobicContact CD2-CG2 3.45Å; L320-V322 VanDerWaalsContact CD2-CG2 3.45Å
321	S	94.2	Very high	87.3	Confident	48 Å²	48	72 Å²	72	34%	0.336	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	148.3	172.5	66.4	0	0	0	0	109.8	P303 V304	P303-S321 CarbonylContact C-O 3.51Å; P303-S321 WeakPolarHBondContact CA-O 3.49Å; V304-S321 PolarHBondContact N-O 2.91Å; V304-S321 PolarHBondContact O-N 3.33Å; V304-S321 PolarHBondContact O-OG 3.23Å
322	V	92.5	Very high	86.5	Confident	24 Å²	24	73.8 Å²	73.8	15%	0.145	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	122.8	179.4	-176.3	0	0	0	0	108	K110 L113 L301 P303 L320	K110-V322 HydrophobicContact CB-CG2 4.32Å; K110-V322 HydrophobicContact CG-CG2 4.12Å; L113-V322 HydrophobicContact CD1-CG1 4.26Å; L113-V322 HydrophobicContact CD1-CG2 3.71Å; L301-V322 HydrophobicContact CB-CG1 3.95Å; L301-V322 HydrophobicContact CD2-CG1 4.1Å; L301-V322 HydrophobicContact CG-CG1 4.44Å; P303-V322 HydrophobicContact CB-CG2 4.33Å; P303-V322 HydrophobicContact CG-CG2 4.48Å; L320-V322 HydrophobicContact CD2-CG2 3.45Å; L320-V322 VanDerWaalsContact CD2-CG2 3.45Å
323	K	90.6	Very high	85.5	Confident	128 Å²	128	74.3 Å²	74.3	56%	0.557	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	124.7	167.6	-167.8	-172.9	-178.3	-157	0	108.4	L301 D302 E325	L301-K323 CarbonylContact C-O 3.52Å; L301-K323 WeakPolarHBondContact CA-O 3.34Å; D302-K323 HydrophobicContact CB-CB 4.46Å; D302-K323 PolarHBondContact N-O 3.02Å; D302-K323 PolarHBondContact O-N 3.36Å; K323-E325 WeakPolarHBondContact CE-OE1 3.45Å; K323-E325 IonicContact NZ-OE1 2.73Å; K323-E325 PolarHBondContact NZ-OE1 2.93Å
324	A	88.3	Confident	84.4	Confident	11 Å²	11	79.7 Å²	79.7	9%	0.091	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.7	174	0	0	0	0	0	109.9	I106 F299 L301	I106-A324 HydrophobicContact CD1-CB 3.74Å; I106-A324 HydrophobicContact CG1-CB 3.99Å; F299-A324 HydrophobicContact CD1-CB 4.47Å; L301-A324 HydrophobicContact CD2-CB 3.71Å
325	E	85.3	Confident	83.2	Confident	63 Å²	63	79.3 Å²	79.3	29%	0.294	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	138.5	173.7	-67.6	-175.6	179.4	0	0	110	F299 R300 K323	F299-E325 CarbonylContact C-O 3.56Å; F299-E325 WeakPolarHBondContact CA-O 3.48Å; R300-E325 IonicContact CZ-OE2 2.81Å; R300-E325 PolarHBondContact N-O 2.88Å; R300-E325 IonicContact NE-OE2 2.88Å; R300-E325 VanDerWaalsContact NH2-CD 3.32Å; R300-E325 IonicContact NH2-OE1 2.7Å; R300-E325 IonicContact NH2-OE2 3.16Å; R300-E325 PolarHBondContact NH2-OE2 3.4Å; R300-E325 PolarHBondContact O-N 3.2Å; K323-E325 WeakPolarHBondContact CE-OE1 3.45Å; K323-E325 IonicContact NZ-OE1 2.73Å; K323-E325 PolarHBondContact NZ-OE1 2.93Å
326	Y	82	Confident	81.7	Confident	64 Å²	64	81.3 Å²	81.3	25%	0.251	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	138.5	176.9	-167.6	-89.2	0	0	0	110.8	D297 F299 V427 F428	D297-Y326 HydrophobicContact CB-CD2 4.48Å; D297-Y326 HydrophobicContact CB-CE2 3.75Å; D297-Y326 WeakPolarHBondContact OD1-CE2 3.48Å; D297-Y326 PolarHBondContact OD1-OH 3.27Å; F299-Y326 HydrophobicContact CE1-CD2 4.19Å; F299-Y326 HydrophobicContact CZ-CD2 4.46Å; Y326-V427 HydrophobicContact CD1-CG1 3.97Å; Y326-F428 HydrophobicContact CD2-CB 4.13Å; Y326-F428 HydrophobicContact CG-CB 4.11Å
327	V	84.1	Confident	80.2	Confident	48 Å²	48	83.6 Å²	83.6	29%	0.291	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	135.3	173.4	-178.3	0	0	0	0	108.5	C298 R300 C329	C298-V327 HydrophobicContact CB-CB 4.41Å; C298-V327 WeakPolarHBondContact CB-O 3.43Å; C298-V327 PolarHBondContact O-N 2.92Å; R300-V327 HydrophobicContact CB-CG2 3.61Å; V327-C329 PolarHBondContact O-N 3.22Å
328	N	80	Confident	78.8	Confident	114 Å²	114	85 Å²	85	61%	0.61	46%	0.456	S	S	*	.			trans	-64.7	111.3	176.5	-69.9	-18.2	0	0	0	110.6
329	C	79	Confident	77.5	Confident	47 Å²	47	84.7 Å²	84.7	32%	0.318	46%	0.455	S	S	.	.			trans	-73.1	148.9	168.2	-44.3	0	0	0	0	110.6	P296 C298 V327	P296-C329 PolarHBondContact O-SG 3.04Å; C298-C329 WeakPolarHBondContact CA-SG 3.38Å; C298-C329 HydrophobicContact CB-CB 4.22Å; C298-C329 WeakPolarHBondContact CB-SG 3.38Å; C298-C329 PolarHBondContact N-SG 3.33Å; C298-C329 WeakPolarHBondContact SG-CB 3.31Å; C298-C329 CovalentContact SG-SG 2Å; C298-C329 PolarHBondContact SG-SG 2.8Å; V327-C329 PolarHBondContact O-N 3.22Å
330	R	79.8	Confident	76.5	Confident	253 Å²	253	88 Å²	88	96%	0.955	46%	0.462	S	S	*	.			trans	-114.7	129.1	159.4	-64.5	-177.9	-178	-179.9	0	107.7
331	G	71.2	Confident	75.6	Confident	60 Å²	60	91 Å²	91	62%	0.619	49%	0.488	S	S	*	.			trans	175.1	163.6	178.5	0	0	0	0	0	112.3
332	E	67.3	Low	74.8	Confident	192 Å²	192	91.8 Å²	91.8	90%	0.897	48%	0.484	S	S	*	.			trans	-111.9	126.4	172.9	-64.4	-176.2	172	0	0	108.7
333	M	65.1	Low	74	Confident	83 Å²	83	95.4 Å²	95.4	41%	0.409	50%	0.495	S	S	.	.			trans	-101.9	130.9	167.2	-90.9	-155	173.6	0	0	109.9	V287 D294 P296 A335	V287-M333 HydrophobicContact CG1-CE 3.87Å; V287-M333 HydrophobicContact CG2-CE 3.98Å; D294-M333 VanDerWaalsContact O-CB 3.22Å; D294-M333 WeakPolarHBondContact O-CB 3.29Å; P296-M333 HydrophobicContact CB-CE 3.81Å; P296-M333 HydrophobicContact CG-CE 3.66Å; P296-M333 HydrophobicContact CG-SD 4.44Å; M333-A335 VanDerWaalsContact C-N 3.31Å; M333-A335 PolarHBondContact O-N 3.34Å
334	K	66.2	Low	73.5	Confident	215 Å²	215	93.9 Å²	93.9	94%	0.935	49%	0.492	S	S	*	.			trans	-85.3	76.2	168	-66.4	-177.2	-179.3	178.7	0	108.7
335	A	61.3	Low	73.4	Confident	39 Å²	39	98.4 Å²	98.4	32%	0.322	51%	0.514	S	S	.	.			trans	-93.9	147	172.3	0	0	0	0	0	110.5	D294 M333 G337	D294-A335 HydrophobicContact CB-CB 3.8Å; M333-A335 VanDerWaalsContact C-N 3.31Å; M333-A335 PolarHBondContact O-N 3.34Å; A335-G337 PolarHBondContact O-N 2.92Å
336	P	59.9	Low	73.3	Confident	102 Å²	102	96 Å²	96	66%	0.662	50%	0.503	S	S	*	.			trans	-58.1	131	166.5	25.3	-31.4	0	0	0	108.5	T338	P336-T338 PolarHBondContact O-N 3.45Å; P336-T338 PolarHBondContact O-OG1 3.06Å
337	G	60.5	Low	73.4	Confident	61 Å²	61	94.6 Å²	94.6	63%	0.629	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	14.3	-167.4	0	0	0	0	0	117.5	A335 G339	A335-G337 PolarHBondContact O-N 2.92Å; G337-G339 VanDerWaalsContact C-N 3.34Å
338	T	64.7	Low	73.6	Confident	107 Å²	107	95.4 Å²	95.4	66%	0.656	51%	0.506	S	S	*	.	H	α-helix	trans	-67.2	-31.9	176.7	52.2	0	0	0	0	112.4	P336 R340 A341 Y342	P336-T338 PolarHBondContact O-N 3.45Å; P336-T338 PolarHBondContact O-OG1 3.06Å; T338-R340 PolarHBondContact O-N 2.81Å; T338-A341 PolarHBondContact O-N 3.34Å; T338-Y342 PolarHBondContact O-N 2.86Å
339	G	68.2	Low	74.1	Confident	3 Å²	3	91.1 Å²	91.1	3%	0.031	48%	0.483	C	S	.	.	H	α-helix	trans	-64.7	-38.5	-179.4	0	0	0	0	0	113.5	D294 G337 A341 Y342 R343	D294-G339 WeakPolarHBondContact OD1-CA 3.49Å; G337-G339 VanDerWaalsContact C-N 3.34Å; G339-A341 PolarHBondContact O-N 3.5Å; G339-Y342 PolarHBondContact O-N 3.32Å; G339-R343 WeakPolarHBondContact O-CB 3.48Å; G339-R343 PolarHBondContact O-N 3.18Å
340	R	71.3	Confident	74.7	Confident	184 Å²	184	88.9 Å²	88.9	69%	0.694	47%	0.468	S	S	*	.	H	α-helix	trans	-62.1	-42.5	176.7	-168.4	176.5	-176.5	175.1	1.7	112.7	D294 T338 R343 I344	D294-R340 PolarHBondContact OD2-N 2.71Å; T338-R340 PolarHBondContact O-N 2.81Å; R340-R343 PolarHBondContact O-N 3.49Å; R340-I344 HydrophobicContact CG-CD1 4.1Å; R340-I344 VanDerWaalsContact O-CG1 3.26Å; R340-I344 WeakPolarHBondContact O-CG1 3.26Å; R340-I344 PolarHBondContact O-N 2.91Å
341	A	75.9	Confident	75.2	Confident	66 Å²	66	80.6 Å²	80.6	55%	0.545	45%	0.445	S	S	.	.	H	α-helix	trans	-64.9	-42.2	178.7	0	0	0	0	0	111.4	T338 G339 I344 L345	T338-A341 PolarHBondContact O-N 3.34Å; G339-A341 PolarHBondContact O-N 3.5Å; A341-I344 PolarHBondContact O-N 2.98Å; A341-L345 WeakPolarHBondContact O-CB 3.45Å; A341-L345 PolarHBondContact O-N 3.42Å
342	Y	77.5	Confident	76.3	Confident	63 Å²	63	82 Å²	82	25%	0.247	44%	0.438	C	S	.	.	H	α-helix	trans	-69.9	-36.4	177.8	-178.9	-90.1	0	0	0	112.6	N94 T291 T338 G339 L345 L346	N94-Y342 PolarHBondContact OD1-OH 3.03Å; T291-Y342 VanDerWaalsContact CB-CE1 3.42Å; T291-Y342 WeakPolarHBondContact O-CB 3.46Å; T291-Y342 WeakPolarHBondContact O-CD1 3.34Å; T291-Y342 WeakPolarHBondContact OG1-CE1 3.43Å; T338-Y342 PolarHBondContact O-N 2.86Å; G339-Y342 PolarHBondContact O-N 3.32Å; Y342-L345 WeakPolarHBondContact O-CB 3.24Å; Y342-L345 PolarHBondContact O-N 2.71Å; Y342-L346 HydrophobicContact CD1-CD1 3.51Å; Y342-L346 HydrophobicContact CD1-CG 4.06Å; Y342-L346 HydrophobicContact CE1-CD1 3.19Å; Y342-L346 HydrophobicContact CE1-CD2 4.39Å; Y342-L346 HydrophobicContact CE1-CG 3.85Å; Y342-L346 WeakPolarHBondContact O-CG 3.42Å; Y342-L346 PolarHBondContact O-N 3.16Å
343	R	76	Confident	77.5	Confident	101 Å²	101	72.9 Å²	72.9	38%	0.381	40%	0.395	S	S	.	.	H	α-helix	trans	-59.3	-48.9	170.6	-168.1	-172	-70.3	-169.2	-2.6	111.5	S292 S293 G339 R340 L345 L346 T347	S292-R343 VanDerWaalsContact O-CB 3.31Å; S292-R343 WeakPolarHBondContact O-CB 3.28Å; S292-R343 WeakPolarHBondContact O-CG 3.36Å; S292-R343 PolarHBondContact O-NE 3.08Å; S293-R343 PolarHBondContact OG-NH2 2.71Å; G339-R343 WeakPolarHBondContact O-CB 3.48Å; G339-R343 PolarHBondContact O-N 3.18Å; R340-R343 PolarHBondContact O-N 3.49Å; R343-L345 VanDerWaalsContact C-N 3.27Å; R343-L345 PolarHBondContact O-N 3.12Å; R343-L346 PolarHBondContact O-N 2.71Å; R343-T347 PolarHBondContact O-N 3.44Å; R343-T347 PolarHBondContact O-OG1 3.36Å
344	I	80.9	Confident	78.9	Confident	95 Å²	95	70.7 Å²	70.7	49%	0.487	39%	0.385	S	S	.	.	H	α-helix	trans	-59.2	-44.2	177.3	-68.1	165.5	0	0	0	109.5	R340 A341 L346 T347 T348	R340-I344 HydrophobicContact CG-CD1 4.1Å; R340-I344 VanDerWaalsContact O-CG1 3.26Å; R340-I344 WeakPolarHBondContact O-CG1 3.26Å; R340-I344 PolarHBondContact O-N 2.91Å; A341-I344 PolarHBondContact O-N 2.98Å; I344-L346 PolarHBondContact O-N 3.46Å; I344-T347 PolarHBondContact O-N 2.71Å; I344-T348 HydrophobicContact CG2-CG2 4.16Å; I344-T348 WeakPolarHBondContact O-CB 3.48Å; I344-T348 WeakPolarHBondContact O-CG2 3.49Å; I344-T348 PolarHBondContact O-N 2.86Å; I344-T348 PolarHBondContact O-OG1 2.96Å; I344-T348 VanDerWaalsContact O-OG1 3.07Å
345	L	84.8	Confident	80.2	Confident	106 Å²	106	63.6 Å²	63.6	56%	0.555	36%	0.361	S	S	*	.	H	α-helix	trans	-57.4	-47.4	175.8	-178.7	67	0	0	0	112.1	A341 Y342 R343 T348 L349	A341-L345 WeakPolarHBondContact O-CB 3.45Å; A341-L345 PolarHBondContact O-N 3.42Å; Y342-L345 WeakPolarHBondContact O-CB 3.24Å; Y342-L345 PolarHBondContact O-N 2.71Å; R343-L345 VanDerWaalsContact C-N 3.27Å; R343-L345 PolarHBondContact O-N 3.12Å; L345-T348 WeakPolarHBondContact CA-OG1 3.31Å; L345-T348 PolarHBondContact O-N 3.49Å; L345-T348 PolarHBondContact O-OG1 3.46Å; L345-L349 WeakPolarHBondContact O-CB 3.42Å; L345-L349 PolarHBondContact O-N 3.28Å
346	L	83.5	Confident	81.7	Confident	14 Å²	14	63.1 Å²	63.1	7%	0.073	35%	0.354	C	S	.	.	H	α-helix	trans	-62.5	-50.6	178.4	-76	169.4	0	0	0	112.6	N94 Y342 R343 I344 T348 L349 D350	N94-L346 HydrophobicContact CB-CD2 3.58Å; Y342-L346 HydrophobicContact CD1-CD1 3.51Å; Y342-L346 HydrophobicContact CD1-CG 4.06Å; Y342-L346 HydrophobicContact CE1-CD1 3.19Å; Y342-L346 HydrophobicContact CE1-CD2 4.39Å; Y342-L346 HydrophobicContact CE1-CG 3.85Å; Y342-L346 WeakPolarHBondContact O-CG 3.42Å; Y342-L346 PolarHBondContact O-N 3.16Å; R343-L346 PolarHBondContact O-N 2.71Å; I344-L346 PolarHBondContact O-N 3.46Å; L346-T348 VanDerWaalsContact C-N 3.28Å; L346-T348 PolarHBondContact O-N 3.45Å; L346-L349 WeakPolarHBondContact O-CB 3.44Å; L346-L349 PolarHBondContact O-N 2.91Å; L346-D350 PolarHBondContact O-N 3.49Å
347	T	84.5	Confident	83.4	Confident	34 Å²	34	58.2 Å²	58.2	21%	0.209	32%	0.323	C	S	.	.	H	α-helix	trans	-63.4	-37.1	178.7	-55.3	0	0	0	0	110.6	R343 I344 L349 D350 V351 E424	R343-T347 PolarHBondContact O-N 3.44Å; R343-T347 PolarHBondContact O-OG1 3.36Å; I344-T347 PolarHBondContact O-N 2.71Å; T347-L349 VanDerWaalsContact C-N 3.33Å; T347-L349 PolarHBondContact O-N 3.38Å; T347-D350 PolarHBondContact O-N 3.31Å; T347-V351 WeakPolarHBondContact O-CB 3.4Å; T347-V351 VanDerWaalsContact O-CG2 3.27Å; T347-V351 WeakPolarHBondContact O-CG2 3.29Å; T347-V351 PolarHBondContact O-N 3.01Å; T347-E424 PolarHBondContact OG1-OE2 3.36Å; T347-E424 VanDerWaalsContact OG1-OE2 3.04Å
348	T	88.5	Confident	85	Confident	64 Å²	64	58.3 Å²	58.3	39%	0.393	31%	0.311	S	S	.	.	H	α-helix	trans	-64.3	-38	173.5	59.6	0	0	0	0	112.1	I344 L345 L346 V351 L352	I344-T348 HydrophobicContact CG2-CG2 4.16Å; I344-T348 WeakPolarHBondContact O-CB 3.48Å; I344-T348 WeakPolarHBondContact O-CG2 3.49Å; I344-T348 PolarHBondContact O-N 2.86Å; I344-T348 PolarHBondContact O-OG1 2.96Å; I344-T348 VanDerWaalsContact O-OG1 3.07Å; L345-T348 WeakPolarHBondContact CA-OG1 3.31Å; L345-T348 PolarHBondContact O-N 3.49Å; L345-T348 PolarHBondContact O-OG1 3.46Å; L346-T348 VanDerWaalsContact C-N 3.28Å; L346-T348 PolarHBondContact O-N 3.45Å; T348-V351 PolarHBondContact O-N 3.49Å; T348-L352 WeakPolarHBondContact O-CB 3.4Å; T348-L352 WeakPolarHBondContact O-CG 3.34Å; T348-L352 PolarHBondContact O-N 3.28Å
349	L	90.8	Very high	86.4	Confident	25 Å²	25	56.3 Å²	56.3	13%	0.131	30%	0.298	C	S	.	.	H	α-helix	trans	-63.9	-43.1	175.7	-178.3	143.7	0	0	0	111.3	I90 Q91 L345 L346 T347 L352 I353	I90-L349 HydrophobicContact CB-CD1 4.13Å; I90-L349 HydrophobicContact CG2-CD1 3.58Å; Q91-L349 HydrophobicContact CB-CD2 3.72Å; Q91-L349 HydrophobicContact CG-CD2 4.38Å; L345-L349 WeakPolarHBondContact O-CB 3.42Å; L345-L349 PolarHBondContact O-N 3.28Å; L346-L349 WeakPolarHBondContact O-CB 3.44Å; L346-L349 PolarHBondContact O-N 2.91Å; T347-L349 VanDerWaalsContact C-N 3.33Å; T347-L349 PolarHBondContact O-N 3.38Å; L349-L352 PolarHBondContact O-N 2.85Å; L349-I353 HydrophobicContact CD2-CD1 3.56Å; L349-I353 HydrophobicContact CG-CD1 4.34Å; L349-I353 VanDerWaalsContact O-CG1 3.3Å; L349-I353 WeakPolarHBondContact O-CG1 3.41Å; L349-I353 PolarHBondContact O-N 2.91Å
350	D	90.6	Very high	87.7	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.6	-43.8	175	-69.1	-35.9	0	0	0	112.2	Q91 L346 T347 L352 I353 L354 T417 K420 L421	Q91-D350 VanDerWaalsContact CG-OD1 3.29Å; Q91-D350 WeakPolarHBondContact CG-OD1 3.42Å; Q91-D350 PolarHBondContact NE2-OD1 2.87Å; L346-D350 PolarHBondContact O-N 3.49Å; T347-D350 PolarHBondContact O-N 3.31Å; D350-L352 VanDerWaalsContact C-N 3.29Å; D350-L352 PolarHBondContact O-N 2.88Å; D350-I353 PolarHBondContact O-N 2.93Å; D350-L354 PolarHBondContact O-N 2.9Å; D350-T417 HydrophobicContact CB-CG2 4.21Å; D350-K420 IonicContact OD1-NZ 2.87Å; D350-K420 PolarHBondContact OD1-NZ 2.89Å; D350-K420 WeakPolarHBondContact OD2-CE 3.42Å; D350-K420 IonicContact OD2-NZ 2.88Å; D350-K420 PolarHBondContact OD2-NZ 2.88Å; D350-L421 HydrophobicContact CB-CD2 4.01Å
351	V	91.2	Very high	88.8	Confident	78 Å²	78	49.6 Å²	49.6	47%	0.473	28%	0.275	S	S	.	.	H	α-helix	trans	-65.2	-31.7	176.2	172.4	0	0	0	0	111.8	T347 T348 P355	T347-V351 WeakPolarHBondContact O-CB 3.4Å; T347-V351 VanDerWaalsContact O-CG2 3.27Å; T347-V351 WeakPolarHBondContact O-CG2 3.29Å; T347-V351 PolarHBondContact O-N 3.01Å; T348-V351 PolarHBondContact O-N 3.49Å; V351-P355 WeakPolarHBondContact O-CD 3.32Å
352	L	92.7	Very high	89.6	Confident	90 Å²	90	50.9 Å²	50.9	47%	0.471	27%	0.272	S	S	.	.	H	α-helix	trans	-75.5	-26.2	174.9	-73.9	172	0	0	0	113.1	F87 T348 L349 D350 P355 T356	F87-L352 HydrophobicContact CE2-CB 4.43Å; T348-L352 WeakPolarHBondContact O-CB 3.4Å; T348-L352 WeakPolarHBondContact O-CG 3.34Å; T348-L352 PolarHBondContact O-N 3.28Å; L349-L352 PolarHBondContact O-N 2.85Å; D350-L352 VanDerWaalsContact C-N 3.29Å; D350-L352 PolarHBondContact O-N 2.88Å; L352-P355 WeakPolarHBondContact O-CD 3.12Å; L352-P355 WeakPolarHBondContact O-CG 3.25Å; L352-T356 VanDerWaalsContact O-CG2 3.29Å; L352-T356 WeakPolarHBondContact O-CG2 3.29Å; L352-T356 PolarHBondContact O-N 2.93Å; L352-T356 PolarHBondContact O-OG1 3.4Å
353	I	94.3	Very high	90.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-70.8	-40.1	177.6	-73.5	166.5	0	0	0	111.4	F87 V88 Q91 L349 D350 T356 C357 I413	F87-I353 HydrophobicContact CB-CD1 4.07Å; F87-I353 HydrophobicContact CB-CG1 3.71Å; F87-I353 HydrophobicContact CD2-CG1 4.5Å; V88-I353 HydrophobicContact CG2-CG2 4.13Å; Q91-I353 HydrophobicContact CB-CD1 3.56Å; Q91-I353 VanDerWaalsContact CD-CD1 3.48Å; Q91-I353 HydrophobicContact CG-CD1 3.97Å; L349-I353 HydrophobicContact CD2-CD1 3.56Å; L349-I353 HydrophobicContact CG-CD1 4.34Å; L349-I353 VanDerWaalsContact O-CG1 3.3Å; L349-I353 WeakPolarHBondContact O-CG1 3.41Å; L349-I353 PolarHBondContact O-N 2.91Å; D350-I353 PolarHBondContact O-N 2.93Å; I353-T356 WeakPolarHBondContact CA-OG1 3.48Å; I353-T356 PolarHBondContact O-N 2.9Å; I353-T356 PolarHBondContact O-OG1 3.47Å; I353-C357 WeakPolarHBondContact O-CB 3.4Å; I353-C357 PolarHBondContact O-N 3.01Å; I353-I413 HydrophobicContact CG2-CG2 3.89Å
354	L	94.1	Very high	91.2	Very high	37 Å²	37	45.2 Å²	45.2	19%	0.194	25%	0.254	C	S	.	.	H	α-helix	trans	-52.1	-55.7	178.2	-68	177.5	0	0	0	113.4	D350 T356 C357 V358 L414 T417 L418 L421	D350-L354 PolarHBondContact O-N 2.9Å; L354-T356 PolarHBondContact O-N 3.38Å; L354-C357 PolarHBondContact O-N 2.99Å; L354-V358 VanDerWaalsContact O-CG2 3.31Å; L354-V358 WeakPolarHBondContact O-CG2 3.28Å; L354-V358 PolarHBondContact O-N 3.33Å; L354-L414 HydrophobicContact CD2-CD2 3.89Å; L354-T417 HydrophobicContact CD2-CG2 3.75Å; L354-T417 HydrophobicContact CG-CG2 3.93Å; L354-L418 HydrophobicContact CD1-CD2 4.3Å; L354-L418 HydrophobicContact CD2-CD2 4.19Å; L354-L418 HydrophobicContact CD2-CG 4.26Å; L354-L421 HydrophobicContact CD1-CD1 3.73Å
355	P	93.9	Very high	91.7	Very high	67 Å²	67	42.7 Å²	42.7	44%	0.435	25%	0.247	S	C	.	.	H	α-helix	trans	-68	-34.5	178.8	26.8	-33.9	0	0	0	112.4	V351 L352 V358 V359	V351-P355 WeakPolarHBondContact O-CD 3.32Å; L352-P355 WeakPolarHBondContact O-CD 3.12Å; L352-P355 WeakPolarHBondContact O-CG 3.25Å; P355-V358 PolarHBondContact O-N 2.92Å; P355-V359 WeakPolarHBondContact O-CB 3.42Å; P355-V359 WeakPolarHBondContact O-CG2 3.47Å; P355-V359 PolarHBondContact O-N 3.45Å
356	T	92.7	Very high	92.2	Very high	28 Å²	28	44.6 Å²	44.6	17%	0.172	25%	0.247	C	C	.	.	H	α-helix	trans	-66	-40.5	178	57.2	0	0	0	0	111.5	F87 L352 I353 L354 S360	F87-T356 HydrophobicContact CD2-CG2 4.49Å; L352-T356 VanDerWaalsContact O-CG2 3.29Å; L352-T356 WeakPolarHBondContact O-CG2 3.29Å; L352-T356 PolarHBondContact O-N 2.93Å; L352-T356 PolarHBondContact O-OG1 3.4Å; I353-T356 WeakPolarHBondContact CA-OG1 3.48Å; I353-T356 PolarHBondContact O-N 2.9Å; I353-T356 PolarHBondContact O-OG1 3.47Å; L354-T356 PolarHBondContact O-N 3.38Å; T356-S360 VanDerWaalsContact O-CB 3.27Å; T356-S360 WeakPolarHBondContact O-CB 3.44Å; T356-S360 PolarHBondContact O-N 3.34Å
357	C	94.5	Very high	92.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.2	-42.3	172.3	-76.4	0	0	0	0	112.5	I353 L354 S360 L361 I413 L414	I353-C357 WeakPolarHBondContact O-CB 3.4Å; I353-C357 PolarHBondContact O-N 3.01Å; L354-C357 PolarHBondContact O-N 2.99Å; C357-S360 WeakPolarHBondContact O-CB 3.39Å; C357-S360 PolarHBondContact O-N 3.01Å; C357-L361 VanDerWaalsContact O-CB 3.27Å; C357-L361 WeakPolarHBondContact O-CB 3.43Å; C357-L361 PolarHBondContact O-N 3.33Å; C357-I413 VanDerWaalsContact SG-CG2 3.6Å; C357-L414 HydrophobicContact CB-CD1 4.4Å; C357-L414 HydrophobicContact CB-CD2 3.64Å; C357-L414 HydrophobicContact CB-CG 3.8Å
358	V	94.9	Very high	92.9	Very high	62 Å²	62	44.1 Å²	44.1	38%	0.376	25%	0.245	S	C	.	.	H	α-helix	trans	-62.6	-44.8	175.4	170.7	0	0	0	0	111.1	L354 P355 L361 L362 L414	L354-V358 VanDerWaalsContact O-CG2 3.31Å; L354-V358 WeakPolarHBondContact O-CG2 3.28Å; L354-V358 PolarHBondContact O-N 3.33Å; P355-V358 PolarHBondContact O-N 2.92Å; V358-L361 PolarHBondContact O-N 3.03Å; V358-L362 HydrophobicContact CG1-CD1 3.92Å; V358-L362 HydrophobicContact CG1-CG 4.32Å; V358-L362 WeakPolarHBondContact O-CB 3.28Å; V358-L362 VanDerWaalsContact O-CG 3.26Å; V358-L362 WeakPolarHBondContact O-CG 3.26Å; V358-L362 PolarHBondContact O-N 3.38Å; V358-L414 HydrophobicContact CG2-CD1 4.29Å; V358-L414 HydrophobicContact CG2-CD2 3.97Å
359	V	94.4	Very high	93.1	Very high	66 Å²	66	44.7 Å²	44.7	40%	0.4	25%	0.245	S	C	.	.	H	α-helix	trans	-62.6	-44.4	176.5	170.5	0	0	0	0	110.5	V80 P355 L362 L363	V80-V359 HydrophobicContact CG1-CG1 4.38Å; V80-V359 HydrophobicContact CG2-CG1 4.37Å; P355-V359 WeakPolarHBondContact O-CB 3.42Å; P355-V359 WeakPolarHBondContact O-CG2 3.47Å; P355-V359 PolarHBondContact O-N 3.45Å; V359-L362 PolarHBondContact O-N 2.88Å; V359-L363 HydrophobicContact CG1-CD1 3.71Å; V359-L363 HydrophobicContact CG1-CG 4.22Å; V359-L363 VanDerWaalsContact O-CB 3.31Å; V359-L363 WeakPolarHBondContact O-CB 3.34Å; V359-L363 WeakPolarHBondContact O-CG 3.25Å; V359-L363 PolarHBondContact O-N 3.42Å
360	S	94.1	Very high	93.1	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.007	26%	0.261	C	S	.	.	H	α-helix	trans	-55	-53.3	173.5	171.5	0	0	0	0	111.4	Q81 K84 T356 C357 L362 L363 C364 D410	Q81-S360 PolarHBondContact NE2-OG 2.94Å; K84-S360 PolarHBondContact NZ-OG 3.49Å; T356-S360 VanDerWaalsContact O-CB 3.27Å; T356-S360 WeakPolarHBondContact O-CB 3.44Å; T356-S360 PolarHBondContact O-N 3.34Å; C357-S360 WeakPolarHBondContact O-CB 3.39Å; C357-S360 PolarHBondContact O-N 3.01Å; S360-L362 PolarHBondContact O-N 3Å; S360-L363 PolarHBondContact O-N 3.41Å; S360-C364 WeakPolarHBondContact O-CB 3.46Å; S360-C364 PolarHBondContact O-N 3.38Å; S360-C364 PolarHBondContact O-SG 3.3Å; S360-D410 VanDerWaalsContact CB-OD2 3.3Å; S360-D410 WeakPolarHBondContact CB-OD2 3.42Å; S360-D410 VanDerWaalsContact OG-CG 3.3Å; S360-D410 PolarHBondContact OG-OD1 2.85Å; S360-D410 PolarHBondContact OG-OD2 3.01Å
361	L	94.2	Very high	93.1	Very high	44 Å²	44	47 Å²	47	23%	0.23	26%	0.263	C	S	.	.	H	α-helix	trans	-58.6	-47.2	-179.1	-174.5	113.7	0	0	0	111.2	C357 V358 C364 A365 L407 D410 V411	C357-L361 VanDerWaalsContact O-CB 3.27Å; C357-L361 WeakPolarHBondContact O-CB 3.43Å; C357-L361 PolarHBondContact O-N 3.33Å; V358-L361 PolarHBondContact O-N 3.03Å; L361-C364 PolarHBondContact O-N 2.77Å; L361-A365 WeakPolarHBondContact O-CB 3.46Å; L361-A365 PolarHBondContact O-N 3.02Å; L361-L407 HydrophobicContact CD1-CD2 3.95Å; L361-L407 HydrophobicContact CG-CD2 3.88Å; L361-D410 HydrophobicContact CB-CB 4.14Å; L361-D410 HydrophobicContact CD1-CB 3.8Å; L361-D410 PolarHBondContact N-OD2 3.18Å; L361-V411 HydrophobicContact CD1-CG2 3.86Å
362	L	94.5	Very high	93.1	Very high	93 Å²	93	50.6 Å²	50.6	49%	0.487	27%	0.269	S	S	.	.	H	α-helix	trans	-64.8	-41.7	178.2	-69.9	175.7	0	0	0	112.4	V358 V359 S360 R366	V358-L362 HydrophobicContact CG1-CD1 3.92Å; V358-L362 HydrophobicContact CG1-CG 4.32Å; V358-L362 WeakPolarHBondContact O-CB 3.28Å; V358-L362 VanDerWaalsContact O-CG 3.26Å; V358-L362 WeakPolarHBondContact O-CG 3.26Å; V358-L362 PolarHBondContact O-N 3.38Å; V359-L362 PolarHBondContact O-N 2.88Å; S360-L362 PolarHBondContact O-N 3Å; L362-R366 VanDerWaalsContact O-CB 3.29Å; L362-R366 WeakPolarHBondContact O-CB 3.39Å; L362-R366 VanDerWaalsContact O-CG 3.25Å; L362-R366 WeakPolarHBondContact O-CG 3.48Å; L362-R366 PolarHBondContact O-N 3.35Å
363	L	92.8	Very high	93.1	Very high	42 Å²	42	51.5 Å²	51.5	22%	0.22	27%	0.267	C	S	.	.	H	α-helix	trans	-66.6	-37.4	177.9	-72.8	174.4	0	0	0	112.2	K77 V359 S360 A367	K77-L363 HydrophobicContact CG-CB 4.26Å; K77-L363 HydrophobicContact CG-CD1 4.16Å; V359-L363 HydrophobicContact CG1-CD1 3.71Å; V359-L363 HydrophobicContact CG1-CG 4.22Å; V359-L363 VanDerWaalsContact O-CB 3.31Å; V359-L363 WeakPolarHBondContact O-CB 3.34Å; V359-L363 WeakPolarHBondContact O-CG 3.25Å; V359-L363 PolarHBondContact O-N 3.42Å; S360-L363 PolarHBondContact O-N 3.41Å; L363-A367 WeakPolarHBondContact O-CB 3.48Å; L363-A367 PolarHBondContact O-N 3.23Å; L363-A367 VanDerWaalsContact O-N 3.09Å
364	C	92.4	Very high	92.9	Very high	4 Å²	4	52.6 Å²	52.6	3%	0.027	27%	0.273	C	S	.	.	H	α-helix	trans	-75.5	-42.2	177.6	-73.4	0	0	0	0	112.1	S360 L361 R366 A367 L368 Y403 I406 L407	S360-C364 WeakPolarHBondContact O-CB 3.46Å; S360-C364 PolarHBondContact O-N 3.38Å; S360-C364 PolarHBondContact O-SG 3.3Å; L361-C364 PolarHBondContact O-N 2.77Å; C364-R366 VanDerWaalsContact C-N 3.33Å; C364-R366 PolarHBondContact O-N 3.49Å; C364-A367 WeakPolarHBondContact O-CB 3.47Å; C364-A367 PolarHBondContact O-N 3.35Å; C364-A367 VanDerWaalsContact O-N 3.09Å; C364-L368 PolarHBondContact O-N 3.24Å; C364-Y403 HydrophobicContact CB-CD1 4.22Å; C364-I406 HydrophobicContact CB-CG2 4.33Å; C364-I406 VanDerWaalsContact SG-CG2 3.56Å; C364-L407 HydrophobicContact CB-CD2 4.11Å; C364-L407 HydrophobicContact CB-CG 4.46Å
365	A	93.3	Very high	92.7	Very high	41 Å²	41	53.4 Å²	53.4	34%	0.339	28%	0.275	S	S	.	.	H	α-helix	trans	-59.3	-44.3	172.3	0	0	0	0	0	111.1	L361 A367 L368 L369 L407	L361-A365 WeakPolarHBondContact O-CB 3.46Å; L361-A365 PolarHBondContact O-N 3.02Å; A365-A367 VanDerWaalsContact C-N 3.31Å; A365-A367 PolarHBondContact O-N 3.4Å; A365-L368 PolarHBondContact O-N 3.32Å; A365-L369 WeakPolarHBondContact O-CB 3.31Å; A365-L369 PolarHBondContact O-N 3.47Å; A365-L407 HydrophobicContact CB-CD2 4.32Å
366	R	93.6	Very high	92.5	Very high	147 Å²	147	53 Å²	53	56%	0.555	27%	0.274	S	S	*	.	H	α-helix	trans	-60.2	-39.1	172.7	-79.6	176.9	166.8	166.2	-1.6	112.6	L362 C364 S370	L362-R366 VanDerWaalsContact O-CB 3.29Å; L362-R366 WeakPolarHBondContact O-CB 3.39Å; L362-R366 VanDerWaalsContact O-CG 3.25Å; L362-R366 WeakPolarHBondContact O-CG 3.48Å; L362-R366 PolarHBondContact O-N 3.35Å; C364-R366 VanDerWaalsContact C-N 3.33Å; C364-R366 PolarHBondContact O-N 3.49Å; R366-S370 WeakPolarHBondContact O-CB 3.41Å; R366-S370 PolarHBondContact O-N 3.47Å; R366-S370 PolarHBondContact O-OG 2.92Å
367	A	90.7	Very high	92.3	Very high	9 Å²	9	54 Å²	54	7%	0.074	28%	0.278	C	S	.	.	H	α-helix	trans	-66	-42.3	177.8	0	0	0	0	0	112	L363 C364 A365 S370 A371 Y403	L363-A367 WeakPolarHBondContact O-CB 3.48Å; L363-A367 PolarHBondContact O-N 3.23Å; L363-A367 VanDerWaalsContact O-N 3.09Å; C364-A367 WeakPolarHBondContact O-CB 3.47Å; C364-A367 PolarHBondContact O-N 3.35Å; C364-A367 VanDerWaalsContact O-N 3.09Å; A365-A367 VanDerWaalsContact C-N 3.31Å; A365-A367 PolarHBondContact O-N 3.4Å; A367-S370 PolarHBondContact O-N 3.37Å; A367-A371 WeakPolarHBondContact O-CB 3.46Å; A367-A371 PolarHBondContact O-N 3.04Å; A367-Y403 HydrophobicContact CB-CD2 4.41Å; A367-Y403 HydrophobicContact CB-CE1 4.23Å; A367-Y403 HydrophobicContact CB-CE2 4.17Å
368	L	92.1	Very high	92	Very high	29 Å²	29	54.2 Å²	54.2	15%	0.152	28%	0.279	C	S	.	.	H	α-helix	trans	-67.3	-41	175.9	-75.8	166.8	0	0	0	112	C364 A365 S370 A371 Y372 L399 I404 L407	C364-L368 PolarHBondContact O-N 3.24Å; A365-L368 PolarHBondContact O-N 3.32Å; L368-S370 VanDerWaalsContact C-N 3.34Å; L368-S370 PolarHBondContact O-N 3.46Å; L368-A371 WeakPolarHBondContact O-CB 3.36Å; L368-A371 PolarHBondContact O-N 2.88Å; L368-Y372 PolarHBondContact O-N 3.1Å; L368-L399 HydrophobicContact CD2-CD1 4.14Å; L368-I404 HydrophobicContact CD1-CG1 4.44Å; L368-I404 HydrophobicContact CD2-CG1 4.47Å; L368-L407 HydrophobicContact CD1-CD1 3.33Å; L368-L407 HydrophobicContact CD1-CG 4.15Å
369	L	93.2	Very high	91.7	Very high	76 Å²	76	58 Å²	58	40%	0.398	29%	0.287	S	S	.	.	H	α-helix	trans	-63.9	-41.4	175.1	-173.6	66	0	0	0	111.4	A365 A371 Y372 Y373	A365-L369 WeakPolarHBondContact O-CB 3.31Å; A365-L369 PolarHBondContact O-N 3.47Å; L369-A371 VanDerWaalsContact C-N 3.33Å; L369-A371 PolarHBondContact O-N 3.46Å; L369-Y372 WeakPolarHBondContact O-CB 3.46Å; L369-Y372 PolarHBondContact O-N 2.71Å; L369-Y373 HydrophobicContact CD1-CD2 4.22Å; L369-Y373 HydrophobicContact CD1-CE2 3.63Å; L369-Y373 HydrophobicContact CD2-CE2 3.94Å; L369-Y373 HydrophobicContact CG-CD2 3.91Å; L369-Y373 HydrophobicContact CG-CE2 3.49Å; L369-Y373 VanDerWaalsContact CG-CE2 3.49Å; L369-Y373 WeakPolarHBondContact O-CD2 3.3Å; L369-Y373 PolarHBondContact O-N 3.42Å
370	S	90.6	Very high	91.4	Very high	66 Å²	66	61.4 Å²	61.4	46%	0.462	29%	0.292	S	S	.	.	H	α-helix	trans	-63.6	-39.8	174.5	-56.1	0	0	0	0	111.7	R366 A367 L368 Y372 Y373 L374	R366-S370 WeakPolarHBondContact O-CB 3.41Å; R366-S370 PolarHBondContact O-N 3.47Å; R366-S370 PolarHBondContact O-OG 2.92Å; A367-S370 PolarHBondContact O-N 3.37Å; L368-S370 VanDerWaalsContact C-N 3.34Å; L368-S370 PolarHBondContact O-N 3.46Å; S370-Y372 VanDerWaalsContact C-N 3.34Å; S370-Y373 PolarHBondContact O-N 3.48Å; S370-L374 VanDerWaalsContact O-CB 3.3Å; S370-L374 WeakPolarHBondContact O-CB 3.43Å; S370-L374 PolarHBondContact O-N 3.17Å
371	A	90.4	Very high	91.1	Very high	7 Å²	7	62.4 Å²	62.4	6%	0.058	30%	0.297	C	S	.	.	H	α-helix	trans	-64.2	-38.7	174.4	0	0	0	0	0	112.1	F60 A367 L368 L369 L374 K375	F60-A371 HydrophobicContact CE2-CB 3.7Å; F60-A371 HydrophobicContact CZ-CB 3.58Å; A367-A371 WeakPolarHBondContact O-CB 3.46Å; A367-A371 PolarHBondContact O-N 3.04Å; L368-A371 WeakPolarHBondContact O-CB 3.36Å; L368-A371 PolarHBondContact O-N 2.88Å; L369-A371 VanDerWaalsContact C-N 3.33Å; L369-A371 PolarHBondContact O-N 3.46Å; A371-L374 PolarHBondContact O-N 3.01Å; A371-K375 VanDerWaalsContact O-CB 3.31Å; A371-K375 WeakPolarHBondContact O-CB 2.83Å; A371-K375 PolarHBondContact O-N 3.43Å
372	Y	91.7	Very high	90.7	Very high	153 Å²	153	60.8 Å²	60.8	60%	0.6	29%	0.288	S	S	*	.	H	α-helix	trans	-64.3	-48	175.7	176	-95.4	0	0	0	112	L368 L369 S370 K375 S376	L368-Y372 PolarHBondContact O-N 3.1Å; L369-Y372 WeakPolarHBondContact O-CB 3.46Å; L369-Y372 PolarHBondContact O-N 2.71Å; S370-Y372 VanDerWaalsContact C-N 3.34Å; Y372-K375 WeakPolarHBondContact O-CB 3.33Å; Y372-K375 PolarHBondContact O-N 2.75Å; Y372-S376 PolarHBondContact O-N 2.77Å
373	Y	92	Very high	90.3	Very high	110 Å²	110	63.8 Å²	63.8	43%	0.431	30%	0.298	S	S	.	.	H	α-helix	trans	-63.4	-42.5	176	-73.1	-56.9	0	0	0	111.8	L369 S370 K375 S376 D377 L611	L369-Y373 HydrophobicContact CD1-CD2 4.22Å; L369-Y373 HydrophobicContact CD1-CE2 3.63Å; L369-Y373 HydrophobicContact CD2-CE2 3.94Å; L369-Y373 HydrophobicContact CG-CD2 3.91Å; L369-Y373 HydrophobicContact CG-CE2 3.49Å; L369-Y373 VanDerWaalsContact CG-CE2 3.49Å; L369-Y373 WeakPolarHBondContact O-CD2 3.3Å; L369-Y373 PolarHBondContact O-N 3.42Å; S370-Y373 PolarHBondContact O-N 3.48Å; Y373-K375 PolarHBondContact O-N 3.21Å; Y373-S376 WeakPolarHBondContact O-CB 3.48Å; Y373-S376 PolarHBondContact O-N 2.91Å; Y373-S376 VanDerWaalsContact O-N 3.16Å; Y373-D377 PolarHBondContact O-N 2.87Å; Y373-L611 HydrophobicContact CE2-CD1 4.25Å
374	L	90.6	Very high	90	Very high	22 Å²	22	68.2 Å²	68.2	12%	0.115	32%	0.317	C	S	.	.	H	α-helix	trans	-61.1	-44.2	176.2	-175.7	63.6	0	0	0	111.5	L53 R56 L57 F60 S370 A371 S376 D377 T378 F398	L53-L374 HydrophobicContact CD1-CD1 4.2Å; R56-L374 HydrophobicContact CB-CD1 4.27Å; L57-L374 HydrophobicContact CD2-CD1 4.36Å; L57-L374 HydrophobicContact CD2-CD2 4.13Å; L57-L374 HydrophobicContact CD2-CG 4.17Å; F60-L374 HydrophobicContact CB-CD2 3.55Å; F60-L374 HydrophobicContact CD1-CD2 4.04Å; F60-L374 HydrophobicContact CD2-CD2 3.68Å; F60-L374 HydrophobicContact CE2-CD2 4.38Å; F60-L374 HydrophobicContact CG-CD2 3.48Å; F60-L374 VanDerWaalsContact CG-CD2 3.48Å; S370-L374 VanDerWaalsContact O-CB 3.3Å; S370-L374 WeakPolarHBondContact O-CB 3.43Å; S370-L374 PolarHBondContact O-N 3.17Å; A371-L374 PolarHBondContact O-N 3.01Å; L374-S376 VanDerWaalsContact C-N 3.32Å; L374-S376 PolarHBondContact O-N 2.89Å; L374-D377 PolarHBondContact O-N 3.23Å; L374-T378 WeakPolarHBondContact O-CB 3.34Å; L374-T378 PolarHBondContact O-N 2.98Å; L374-T378 PolarHBondContact O-OG1 3.21Å; L374-F398 HydrophobicContact CD2-CE1 4.19Å; L374-F398 HydrophobicContact CG-CE1 4.07Å
375	K	90.3	Very high	89.4	Confident	55 Å²	55	69.9 Å²	69.9	24%	0.239	33%	0.327	C	S	.	.	H	α-helix	trans	-56.6	-47	173.3	177.1	-173.5	169.5	178	0	111.1	A371 Y372 Y373 T378 R379 E395 F398	A371-K375 VanDerWaalsContact O-CB 3.31Å; A371-K375 WeakPolarHBondContact O-CB 2.83Å; A371-K375 PolarHBondContact O-N 3.43Å; Y372-K375 WeakPolarHBondContact O-CB 3.33Å; Y372-K375 PolarHBondContact O-N 2.75Å; Y373-K375 PolarHBondContact O-N 3.21Å; K375-T378 PolarHBondContact O-N 3.48Å; K375-R379 VanDerWaalsContact O-CB 3.29Å; K375-R379 WeakPolarHBondContact O-CB 3.34Å; K375-R379 PolarHBondContact O-N 3.39Å; K375-E395 VanDerWaalsContact CE-CD 3.48Å; K375-E395 WeakPolarHBondContact CE-OE2 3.48Å; K375-E395 IonicContact NZ-OE2 2.81Å; K375-E395 PolarHBondContact NZ-OE2 2.96Å; K375-F398 HydrophobicContact CB-CB 4.02Å; K375-F398 HydrophobicContact CB-CD1 4.09Å; K375-F398 HydrophobicContact CB-CD2 4.12Å; K375-F398 HydrophobicContact CB-CG 3.81Å; K375-F398 HydrophobicContact CD-CB 4.44Å; K375-F398 HydrophobicContact CG-CB 4.4Å; K375-F398 HydrophobicContact CG-CD2 4.05Å; K375-F398 HydrophobicContact CG-CG 4.21Å
376	S	89.9	Confident	88.8	Confident	58 Å²	58	71.9 Å²	71.9	41%	0.406	33%	0.332	S	S	.	.	H	α-helix	trans	-63.9	-42.8	-179.6	-173.1	0	0	0	0	111.9	Y372 Y373 L374 R379 R380	Y372-S376 PolarHBondContact O-N 2.77Å; Y373-S376 WeakPolarHBondContact O-CB 3.48Å; Y373-S376 PolarHBondContact O-N 2.91Å; Y373-S376 VanDerWaalsContact O-N 3.16Å; L374-S376 VanDerWaalsContact C-N 3.32Å; L374-S376 PolarHBondContact O-N 2.89Å; S376-R379 PolarHBondContact O-N 2.98Å; S376-R380 WeakPolarHBondContact O-CB 3.49Å; S376-R380 PolarHBondContact O-N 3.41Å
377	D	89.1	Confident	88	Confident	49 Å²	49	68 Å²	68	26%	0.262	34%	0.337	S	S	.	.	H	α-helix	trans	-65.8	-44.7	177.1	-80	-22.7	0	0	0	111.5	Y373 L374 R379 R380 F381	Y373-D377 PolarHBondContact O-N 2.87Å; L374-D377 PolarHBondContact O-N 3.23Å; D377-R379 PolarHBondContact O-N 3.28Å; D377-R380 PolarHBondContact O-N 2.84Å; D377-R380 IonicContact OD1-CZ 3.71Å; D377-R380 IonicContact OD1-NH2 2.68Å; D377-R380 PolarHBondContact OD1-NH2 3.32Å; D377-F381 VanDerWaalsContact O-CB 3.3Å; D377-F381 WeakPolarHBondContact O-CB 3.47Å; D377-F381 PolarHBondContact O-N 3.08Å
378	T	86.8	Confident	87.4	Confident	5 Å²	5	72 Å²	72	3%	0.031	35%	0.354	C	S	.	.	H	α-helix	trans	-63.7	-39.8	175.6	-54.4	0	0	0	0	112	L57 L374 K375 F381 L382 L390 F398 L584	L57-T378 HydrophobicContact CD1-CG2 4.01Å; L57-T378 HydrophobicContact CD2-CG2 4.48Å; L374-T378 WeakPolarHBondContact O-CB 3.34Å; L374-T378 PolarHBondContact O-N 2.98Å; L374-T378 PolarHBondContact O-OG1 3.21Å; K375-T378 PolarHBondContact O-N 3.48Å; T378-F381 PolarHBondContact O-N 2.91Å; T378-L382 VanDerWaalsContact O-CB 3.25Å; T378-L382 WeakPolarHBondContact O-CB 3.41Å; T378-L382 PolarHBondContact O-N 3.36Å; T378-L390 HydrophobicContact CG2-CD1 4.27Å; T378-L390 HydrophobicContact CG2-CD2 4.41Å; T378-F398 HydrophobicContact CG2-CZ 4.28Å; T378-L584 HydrophobicContact CG2-CD1 4.42Å
379	R	88.4	Confident	86.9	Confident	140 Å²	140	75.4 Å²	75.4	53%	0.528	38%	0.381	S	S	.	.	H	α-helix	trans	-63.8	-44.4	176.3	-176	179.2	178.5	-166.9	2.2	112.2	K375 S376 D377 K383 L390 E395	K375-R379 VanDerWaalsContact O-CB 3.29Å; K375-R379 WeakPolarHBondContact O-CB 3.34Å; K375-R379 PolarHBondContact O-N 3.39Å; S376-R379 PolarHBondContact O-N 2.98Å; D377-R379 PolarHBondContact O-N 3.28Å; R379-K383 VanDerWaalsContact O-CB 3.32Å; R379-K383 WeakPolarHBondContact O-CB 3.43Å; R379-K383 PolarHBondContact O-N 3.5Å; R379-K383 VanDerWaalsContact O-N 3.16Å; R379-L390 VanDerWaalsContact CA-CD1 3.43Å; R379-L390 HydrophobicContact CB-CD1 3.92Å; R379-L390 HydrophobicContact CG-CD1 4.35Å; R379-E395 IonicContact NE-OE1 3.82Å
380	R	88.4	Confident	86.2	Confident	138 Å²	138	72.5 Å²	72.5	52%	0.521	37%	0.366	S	S	.	.	H	α-helix	trans	-64	-49.6	176.7	178.4	172.1	54.4	177.1	-4.2	110.8	S376 D377 L382 K383 E384	S376-R380 WeakPolarHBondContact O-CB 3.49Å; S376-R380 PolarHBondContact O-N 3.41Å; D377-R380 PolarHBondContact O-N 2.84Å; D377-R380 IonicContact OD1-CZ 3.71Å; D377-R380 IonicContact OD1-NH2 2.68Å; D377-R380 PolarHBondContact OD1-NH2 3.32Å; R380-L382 PolarHBondContact O-N 2.96Å; R380-K383 PolarHBondContact O-N 3.3Å; R380-E384 WeakPolarHBondContact CD-OE1 3.27Å; R380-E384 HydrophobicContact CG-CG 4.41Å; R380-E384 WeakPolarHBondContact CG-OE1 3.36Å; R380-E384 WeakPolarHBondContact O-CB 3.49Å; R380-E384 WeakPolarHBondContact O-CG 3.28Å; R380-E384 PolarHBondContact O-N 3.39Å
381	F	87.4	Confident	85.7	Confident	23 Å²	23	72.4 Å²	72.4	10%	0.101	37%	0.365	C	S	.	.	H	α-helix	trans	-61.8	-43.8	-179.7	-176.6	-92.8	0	0	0	112.7	R49 A50 L53 D377 T378 K383 E384 T385 F587	R49-F381 HydrophobicContact CB-CE2 4.21Å; A50-F381 VanDerWaalsContact CA-CZ 3.5Å; A50-F381 HydrophobicContact CB-CE1 4.2Å; A50-F381 HydrophobicContact CB-CE2 4.46Å; A50-F381 HydrophobicContact CB-CZ 3.56Å; L53-F381 HydrophobicContact CD2-CB 3.54Å; L53-F381 HydrophobicContact CD2-CD1 3.44Å; L53-F381 VanDerWaalsContact CD2-CD1 3.44Å; L53-F381 HydrophobicContact CD2-CD2 4.24Å; L53-F381 HydrophobicContact CD2-CE1 4.22Å; L53-F381 HydrophobicContact CD2-CG 3.46Å; L53-F381 VanDerWaalsContact CD2-CG 3.46Å; D377-F381 VanDerWaalsContact O-CB 3.3Å; D377-F381 WeakPolarHBondContact O-CB 3.47Å; D377-F381 PolarHBondContact O-N 3.08Å; T378-F381 PolarHBondContact O-N 2.91Å; F381-K383 VanDerWaalsContact C-N 3.33Å; F381-K383 PolarHBondContact O-N 3.42Å; F381-E384 PolarHBondContact O-N 3.09Å; F381-T385 HydrophobicContact CE1-CG2 4.08Å; F381-T385 WeakPolarHBondContact CE2-OG1 3.41Å; F381-T385 HydrophobicContact CZ-CG2 3.95Å; F381-T385 WeakPolarHBondContact CZ-OG1 3.21Å; F381-T385 WeakPolarHBondContact O-CB 3.49Å; F381-T385 PolarHBondContact O-N 2.94Å; F381-T385 PolarHBondContact O-OG1 3.14Å; F381-T385 VanDerWaalsContact O-OG1 3.12Å; F381-F587 HydrophobicContact CD1-CZ 4.23Å; F381-F587 HydrophobicContact CE1-CE2 4.05Å; F381-F587 AromaticContact CE1-CZ 3.76Å; F381-F587 HydrophobicContact CE1-CZ 3.76Å
382	L	85.8	Confident	85.3	Confident	10 Å²	10	80.6 Å²	80.6	5%	0.052	40%	0.399	C	S	.	.	H	α-helix	trans	-66.1	-37.4	179.5	-166.4	70.9	0	0	0	111.8	T378 R380 L386 G387 Q388 L390 V583	T378-L382 VanDerWaalsContact O-CB 3.25Å; T378-L382 WeakPolarHBondContact O-CB 3.41Å; T378-L382 PolarHBondContact O-N 3.36Å; R380-L382 PolarHBondContact O-N 2.96Å; L382-L386 HydrophobicContact CD1-CB 4.06Å; L382-L386 HydrophobicContact CD1-CD1 3.8Å; L382-L386 HydrophobicContact CD1-CG 4.33Å; L382-L386 PolarHBondContact O-N 2.89Å; L382-G387 PolarHBondContact O-N 3.29Å; L382-Q388 CarbonylContact C-O 3.42Å; L382-Q388 HydrophobicContact CD2-CB 4.29Å; L382-Q388 WeakPolarHBondContact CD2-O 3.15Å; L382-Q388 HydrophobicContact CG-CB 4.17Å; L382-Q388 VanDerWaalsContact CG-O 3.27Å; L382-Q388 WeakPolarHBondContact CG-O 3.38Å; L382-Q388 PolarHBondContact O-N 2.78Å; L382-L390 HydrophobicContact CB-CD1 4.27Å; L382-L390 HydrophobicContact CD2-CD1 3.81Å; L382-L390 HydrophobicContact CD2-CG 3.8Å; L382-V583 HydrophobicContact CD2-CG1 4.37Å
383	K	86.8	Confident	84.7	Confident	156 Å²	156	79.2 Å²	79.2	68%	0.678	40%	0.402	S	S	*	.	H	α-helix	trans	-67.5	-42.2	176.1	-170.7	180	-179	-173.8	0	112.1	R379 R380 F381 G387	R379-K383 VanDerWaalsContact O-CB 3.32Å; R379-K383 WeakPolarHBondContact O-CB 3.43Å; R379-K383 PolarHBondContact O-N 3.5Å; R379-K383 VanDerWaalsContact O-N 3.16Å; R380-K383 PolarHBondContact O-N 3.3Å; F381-K383 VanDerWaalsContact C-N 3.33Å; F381-K383 PolarHBondContact O-N 3.42Å; K383-G387 WeakPolarHBondContact O-CA 3.44Å; K383-G387 PolarHBondContact O-N 3.43Å
384	E	86.4	Confident	84.1	Confident	135 Å²	135	74.6 Å²	74.6	63%	0.631	39%	0.385	S	S	*	.	H	α-helix	trans	-73.7	-39.7	179.3	-72.3	170	-173	0	0	112.4	R380 F381	R380-E384 WeakPolarHBondContact CD-OE1 3.27Å; R380-E384 HydrophobicContact CG-CG 4.41Å; R380-E384 WeakPolarHBondContact CG-OE1 3.36Å; R380-E384 WeakPolarHBondContact O-CB 3.49Å; R380-E384 WeakPolarHBondContact O-CG 3.28Å; R380-E384 PolarHBondContact O-N 3.39Å; F381-E384 PolarHBondContact O-N 3.09Å
385	T	80.9	Confident	83.7	Confident	38 Å²	38	75.4 Å²	75.4	23%	0.233	39%	0.388	C	S	.	.	H	α-helix	trans	-92.8	-42.5	-169.6	-59.8	0	0	0	0	113.4	R46 F381	R46-T385 VanDerWaalsContact NH2-CA 3.32Å; R46-T385 PolarHBondContact NH2-O 2.93Å; F381-T385 HydrophobicContact CE1-CG2 4.08Å; F381-T385 WeakPolarHBondContact CE2-OG1 3.41Å; F381-T385 HydrophobicContact CZ-CG2 3.95Å; F381-T385 WeakPolarHBondContact CZ-OG1 3.21Å; F381-T385 WeakPolarHBondContact O-CB 3.49Å; F381-T385 PolarHBondContact O-N 2.94Å; F381-T385 PolarHBondContact O-OG1 3.14Å; F381-T385 VanDerWaalsContact O-OG1 3.12Å
386	L	79.3	Confident	83.4	Confident	84 Å²	84	77.9 Å²	77.9	44%	0.44	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-5.6	-175.4	-78.4	99.9	0	0	0	113.2	L382 Q388	L382-L386 HydrophobicContact CD1-CB 4.06Å; L382-L386 HydrophobicContact CD1-CD1 3.8Å; L382-L386 HydrophobicContact CD1-CG 4.33Å; L382-L386 PolarHBondContact O-N 2.89Å; L386-Q388 HydrophobicContact CB-CB 4.35Å; L386-Q388 HydrophobicContact CB-CG 4.39Å; L386-Q388 PolarHBondContact O-N 2.97Å
387	G	77.5	Confident	82.9	Confident	65 Å²	65	76.7 Å²	76.7	67%	0.67	40%	0.397	S	S	*	.	S	Bend	trans	63.3	9.4	-173	0	0	0	0	0	113.7	L382 K383	L382-G387 PolarHBondContact O-N 3.29Å; K383-G387 WeakPolarHBondContact O-CA 3.44Å; K383-G387 PolarHBondContact O-N 3.43Å
388	Q	79.1	Confident	82.7	Confident	92 Å²	92	74.6 Å²	74.6	43%	0.43	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-100.3	137.5	-177.3	-70.1	-176.1	-2.5	0	0	110.5	L382 L386 V583	L382-Q388 CarbonylContact C-O 3.42Å; L382-Q388 HydrophobicContact CD2-CB 4.29Å; L382-Q388 WeakPolarHBondContact CD2-O 3.15Å; L382-Q388 HydrophobicContact CG-CB 4.17Å; L382-Q388 VanDerWaalsContact CG-O 3.27Å; L382-Q388 WeakPolarHBondContact CG-O 3.38Å; L382-Q388 PolarHBondContact O-N 2.78Å; L386-Q388 HydrophobicContact CB-CB 4.35Å; L386-Q388 HydrophobicContact CB-CG 4.39Å; L386-Q388 PolarHBondContact O-N 2.97Å; Q388-V583 VanDerWaalsContact OE1-CG1 3.28Å
389	S	80.3	Confident	82.7	Confident	102 Å²	102	78.6 Å²	78.6	71%	0.713	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-90.1	141.1	169.5	57.1	0	0	0	0	110.5	S391	S389-S391 PolarHBondContact O-N 2.85Å
390	L	79.3	Confident	82.6	Confident	15 Å²	15	74.5 Å²	74.5	8%	0.079	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-61.2	137.1	170.2	-77.4	103.1	0	0	0	110.7	T378 R379 L382 D394 E395 F398	T378-L390 HydrophobicContact CG2-CD1 4.27Å; T378-L390 HydrophobicContact CG2-CD2 4.41Å; R379-L390 VanDerWaalsContact CA-CD1 3.43Å; R379-L390 HydrophobicContact CB-CD1 3.92Å; R379-L390 HydrophobicContact CG-CD1 4.35Å; L382-L390 HydrophobicContact CB-CD1 4.27Å; L382-L390 HydrophobicContact CD2-CD1 3.81Å; L382-L390 HydrophobicContact CD2-CG 3.8Å; L390-D394 HydrophobicContact CD2-CB 4.01Å; L390-E395 HydrophobicContact CB-CG 3.98Å; L390-F398 HydrophobicContact CD2-CE2 3.86Å
391	S	80.2	Confident	82.5	Confident	64 Å²	64	70 Å²	70	45%	0.448	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-63	148.7	170.2	179.7	0	0	0	0	110.4	S389 N393 D394 E395	S389-S391 PolarHBondContact O-N 2.85Å; S391-N393 PolarHBondContact O-N 3.27Å; S391-N393 VanDerWaalsContact O-N 3.11Å; S391-D394 PolarHBondContact O-N 3.29Å; S391-E395 PolarHBondContact O-N 3.45Å
392	K	82.2	Confident	82.7	Confident	178 Å²	178	72.3 Å²	72.3	77%	0.774	40%	0.4	S	S	*	.	H	α-helix	trans	-54	-32.9	176.4	-67.6	-175.6	179.7	178.1	0	112.4	E395 L396	K392-E395 PolarHBondContact O-N 3.36Å; K392-L396 WeakPolarHBondContact O-CB 3.47Å; K392-L396 PolarHBondContact O-N 3.34Å
393	N	77.9	Confident	82.9	Confident	124 Å²	124	73.8 Å²	73.8	66%	0.663	41%	0.406	S	S	*	.	H	α-helix	trans	-67.8	-39.7	176.3	-70.8	-20.9	0	0	0	112.4	S391 L396 A397	S391-N393 PolarHBondContact O-N 3.27Å; S391-N393 VanDerWaalsContact O-N 3.11Å; N393-L396 PolarHBondContact O-N 3.18Å; N393-A397 PolarHBondContact O-N 2.72Å; N393-A397 VanDerWaalsContact O-N 3.08Å
394	D	78.8	Confident	83.2	Confident	14 Å²	14	69.7 Å²	69.7	8%	0.075	39%	0.39	C	S	.	.	H	α-helix	trans	-72.9	-35.7	177.2	-67.3	-21.2	0	0	0	110.7	N2 L390 S391 L396 A397 F398 S582 L584	N2-D394 PolarHBondContact ND2-OD1 3.28Å; L390-D394 HydrophobicContact CD2-CB 4.01Å; S391-D394 PolarHBondContact O-N 3.29Å; D394-L396 VanDerWaalsContact C-N 3.34Å; D394-L396 PolarHBondContact O-N 3.38Å; D394-A397 VanDerWaalsContact O-CB 3.31Å; D394-A397 WeakPolarHBondContact O-CB 3.22Å; D394-A397 PolarHBondContact O-N 3.24Å; D394-F398 VanDerWaalsContact O-CD2 3.23Å; D394-F398 WeakPolarHBondContact O-CD2 3.05Å; D394-S582 VanDerWaalsContact CG-OG 3.22Å; D394-S582 PolarHBondContact OD1-OG 3.43Å; D394-S582 PolarHBondContact OD2-OG 2.7Å; D394-L584 HydrophobicContact CB-CB 4.46Å
395	E	84.2	Confident	83.6	Confident	38 Å²	38	65.3 Å²	65.3	18%	0.178	37%	0.371	C	S	.	.	H	α-helix	trans	-60.7	-41.5	170.5	-75.2	-156.7	178.5	0	0	112.8	K375 R379 L390 S391 K392 A397 F398	K375-E395 VanDerWaalsContact CE-CD 3.48Å; K375-E395 WeakPolarHBondContact CE-OE2 3.48Å; K375-E395 IonicContact NZ-OE2 2.81Å; K375-E395 PolarHBondContact NZ-OE2 2.96Å; R379-E395 IonicContact NE-OE1 3.82Å; L390-E395 HydrophobicContact CB-CG 3.98Å; S391-E395 PolarHBondContact O-N 3.45Å; K392-E395 PolarHBondContact O-N 3.36Å; E395-A397 VanDerWaalsContact C-N 3.26Å; E395-A397 PolarHBondContact O-N 3.22Å; E395-F398 PolarHBondContact O-N 3.12Å
396	L	83.1	Confident	84.2	Confident	107 Å²	107	63.6 Å²	63.6	56%	0.56	36%	0.36	S	S	*	.	H	α-helix	trans	-71.3	-22.2	176.9	-168.4	66.6	0	0	0	111.9	K392 N393 D394 F398 L399	K392-L396 WeakPolarHBondContact O-CB 3.47Å; K392-L396 PolarHBondContact O-N 3.34Å; N393-L396 PolarHBondContact O-N 3.18Å; D394-L396 VanDerWaalsContact C-N 3.34Å; D394-L396 PolarHBondContact O-N 3.38Å; L396-F398 PolarHBondContact O-N 3.06Å; L396-L399 HydrophobicContact CD1-CB 4.32Å; L396-L399 HydrophobicContact CD1-CD2 4.07Å; L396-L399 PolarHBondContact O-N 3.46Å
397	A	78.9	Confident	85	Confident	34 Å²	34	61.6 Å²	61.6	28%	0.281	35%	0.35	S	S	.	.	H	α-helix	trans	-65.4	-27	176	0	0	0	0	0	113	N393 D394 E395 L399	N393-A397 PolarHBondContact O-N 2.72Å; N393-A397 VanDerWaalsContact O-N 3.08Å; D394-A397 VanDerWaalsContact O-CB 3.31Å; D394-A397 WeakPolarHBondContact O-CB 3.22Å; D394-A397 PolarHBondContact O-N 3.24Å; E395-A397 VanDerWaalsContact C-N 3.26Å; E395-A397 PolarHBondContact O-N 3.22Å; A397-L399 VanDerWaalsContact C-N 3.32Å
398	F	85.3	Confident	85.8	Confident	4 Å²	4	62 Å²	62	2%	0.018	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-28.1	171.9	-70.5	-87.4	0	0	0	112.5	L57 F60 F61 L374 K375 T378 L390 D394 E395 L396 N400 L584	L57-F398 HydrophobicContact CD2-CE1 3.55Å; L57-F398 HydrophobicContact CD2-CZ 3.68Å; F60-F398 HydrophobicContact CE1-CD1 4.17Å; F61-F398 HydrophobicContact CE2-CE1 4.47Å; F61-F398 HydrophobicContact CZ-CD1 4.44Å; F61-F398 HydrophobicContact CZ-CE1 4.33Å; L374-F398 HydrophobicContact CD2-CE1 4.19Å; L374-F398 HydrophobicContact CG-CE1 4.07Å; K375-F398 HydrophobicContact CB-CB 4.02Å; K375-F398 HydrophobicContact CB-CD1 4.09Å; K375-F398 HydrophobicContact CB-CD2 4.12Å; K375-F398 HydrophobicContact CB-CG 3.81Å; K375-F398 HydrophobicContact CD-CB 4.44Å; K375-F398 HydrophobicContact CG-CB 4.4Å; K375-F398 HydrophobicContact CG-CD2 4.05Å; K375-F398 HydrophobicContact CG-CG 4.21Å; T378-F398 HydrophobicContact CG2-CZ 4.28Å; L390-F398 HydrophobicContact CD2-CE2 3.86Å; D394-F398 VanDerWaalsContact O-CD2 3.23Å; D394-F398 WeakPolarHBondContact O-CD2 3.05Å; E395-F398 PolarHBondContact O-N 3.12Å; L396-F398 PolarHBondContact O-N 3.06Å; F398-N400 PolarHBondContact O-N 3.06Å; F398-L584 HydrophobicContact CE2-CD2 4.28Å; F398-L584 HydrophobicContact CZ-CD1 4.27Å; F398-L584 HydrophobicContact CZ-CD2 4.43Å
399	L	86.2	Confident	86.6	Confident	89 Å²	89	57.7 Å²	57.7	47%	0.466	32%	0.319	S	S	.	.	S	Bend	trans	-83.2	93.6	178.7	-169.4	67.5	0	0	0	110.3	L368 L396 A397 G401 I404	L368-L399 HydrophobicContact CD2-CD1 4.14Å; L396-L399 HydrophobicContact CD1-CB 4.32Å; L396-L399 HydrophobicContact CD1-CD2 4.07Å; L396-L399 PolarHBondContact O-N 3.46Å; A397-L399 VanDerWaalsContact C-N 3.32Å; L399-G401 PolarHBondContact O-N 2.95Å; L399-G401 VanDerWaalsContact O-N 3.12Å; L399-I404 HydrophobicContact CD1-CD1 3.88Å; L399-I404 HydrophobicContact CD2-CD1 3.9Å; L399-I404 HydrophobicContact CG-CD1 3.81Å
400	N	85.9	Confident	87.3	Confident	54 Å²	54	52.8 Å²	52.8	29%	0.289	29%	0.285	S	S	.	.			trans	-77.3	102.3	177.8	-174.6	-9.2	0	0	0	110.8	F398 W402 Y403	F398-N400 PolarHBondContact O-N 3.06Å; N400-W402 PolarHBondContact O-N 2Å; N400-W402 WeakPolarHBondContact OD1-CB 2.88Å; N400-W402 PolarHBondContact OD1-N 3.4Å; N400-W402 VanDerWaalsContact OD1-N 3.14Å; N400-Y403 HydrophobicContact CB-CD2 3.79Å; N400-Y403 HydrophobicContact CB-CE2 4.32Å; N400-Y403 PolarHBondContact O-N 2.71Å
401	G	87	Confident	88.1	Confident	45 Å²	45	55.4 Å²	55.4	46%	0.464	30%	0.301	S	S	.	.	H	α-helix	trans	-53.4	-26.8	179.1	0	0	0	0	0	114.6	L399 Y403 I404 L405	L399-G401 PolarHBondContact O-N 2.95Å; L399-G401 VanDerWaalsContact O-N 3.12Å; G401-Y403 VanDerWaalsContact C-N 3.33Å; G401-Y403 PolarHBondContact O-N 2.88Å; G401-I404 PolarHBondContact O-N 3.23Å; G401-L405 PolarHBondContact O-N 3.46Å
402	W	90.9	Very high	88.9	Confident	71 Å²	71	53.3 Å²	53.3	27%	0.269	29%	0.287	S	S	.	.	H	α-helix	trans	-65.1	-33.6	175.1	-62.7	109.9	0	0	0	113.2	N400 L405 I406 M449 L452 R453 I465	N400-W402 PolarHBondContact O-N 2Å; N400-W402 WeakPolarHBondContact OD1-CB 2.88Å; N400-W402 PolarHBondContact OD1-N 3.4Å; N400-W402 VanDerWaalsContact OD1-N 3.14Å; W402-L405 HydrophobicContact CE3-CD2 3.92Å; W402-L405 HydrophobicContact CZ3-CD2 4.06Å; W402-I406 VanDerWaalsContact O-CG1 3.28Å; W402-I406 WeakPolarHBondContact O-CG1 3.47Å; W402-I406 PolarHBondContact O-N 2.98Å; W402-I406 VanDerWaalsContact O-N 3.09Å; W402-M449 WeakPolarHBondContact CZ3-O 3.44Å; W402-L452 HydrophobicContact CH2-CB 3.61Å; W402-L452 HydrophobicContact CZ3-CB 4.07Å; W402-R453 HydrophobicContact CB-CB 4.35Å; W402-R453 VanDerWaalsContact CB-CD 3.41Å; W402-R453 HydrophobicContact CB-CG 3.89Å; W402-R453 HydrophobicContact CD2-CB 3.65Å; W402-R453 HydrophobicContact CD2-CG 3.88Å; W402-R453 HydrophobicContact CE3-CB 3.8Å; W402-R453 HydrophobicContact CE3-CG 4.48Å; W402-R453 HydrophobicContact CG-CB 3.91Å; W402-R453 HydrophobicContact CG-CG 3.59Å; W402-R453 HydrophobicContact CZ3-CB 4.35Å; W402-I465 HydrophobicContact CZ2-CG2 4.16Å
403	Y	91.7	Very high	89.5	Confident	41 Å²	41	44.9 Å²	44.9	16%	0.161	25%	0.25	C	C	.	.	H	α-helix	trans	-73.3	-32.2	175.2	-73.2	-56.4	0	0	0	112	C364 A367 N400 G401 I406 L407	C364-Y403 HydrophobicContact CB-CD1 4.22Å; A367-Y403 HydrophobicContact CB-CD2 4.41Å; A367-Y403 HydrophobicContact CB-CE1 4.23Å; A367-Y403 HydrophobicContact CB-CE2 4.17Å; N400-Y403 HydrophobicContact CB-CD2 3.79Å; N400-Y403 HydrophobicContact CB-CE2 4.32Å; N400-Y403 PolarHBondContact O-N 2.71Å; G401-Y403 VanDerWaalsContact C-N 3.33Å; G401-Y403 PolarHBondContact O-N 2.88Å; Y403-I406 HydrophobicContact CD1-CD1 4.39Å; Y403-I406 PolarHBondContact O-N 2.68Å; Y403-L407 WeakPolarHBondContact O-CG 3.43Å; Y403-L407 PolarHBondContact O-N 2.86Å
404	I	92.8	Very high	90.4	Very high	70 Å²	70	40.4 Å²	40.4	36%	0.359	23%	0.226	S	C	.	.	H	α-helix	trans	-65.2	-45.6	172.8	-63.1	166.8	0	0	0	109.7	L368 L399 G401 I406 L407 V408	L368-I404 HydrophobicContact CD1-CG1 4.44Å; L368-I404 HydrophobicContact CD2-CG1 4.47Å; L399-I404 HydrophobicContact CD1-CD1 3.88Å; L399-I404 HydrophobicContact CD2-CD1 3.9Å; L399-I404 HydrophobicContact CG-CD1 3.81Å; G401-I404 PolarHBondContact O-N 3.23Å; I404-I406 VanDerWaalsContact C-N 3.27Å; I404-I406 PolarHBondContact O-N 3.29Å; I404-L407 WeakPolarHBondContact O-CB 3.39Å; I404-L407 PolarHBondContact O-N 2.97Å; I404-L407 VanDerWaalsContact O-N 3.1Å; I404-V408 HydrophobicContact CG2-CG2 4.49Å; I404-V408 WeakPolarHBondContact O-CG2 3.38Å; I404-V408 PolarHBondContact O-N 3.32Å
405	L	94	Very high	91.2	Very high	42 Å²	42	44 Å²	44	22%	0.22	25%	0.245	C	C	.	.	H	α-helix	trans	-55.4	-43.4	175.2	-173.4	74	0	0	0	111.7	G401 W402 V408 N409 L446 M449	G401-L405 PolarHBondContact O-N 3.46Å; W402-L405 HydrophobicContact CE3-CD2 3.92Å; W402-L405 HydrophobicContact CZ3-CD2 4.06Å; L405-V408 PolarHBondContact O-N 2.85Å; L405-N409 WeakPolarHBondContact O-CB 3.19Å; L405-N409 PolarHBondContact O-N 2.66Å; L405-L446 HydrophobicContact CD1-CB 4.36Å; L405-L446 HydrophobicContact CD1-CD2 3.7Å; L405-M449 HydrophobicContact CD2-CB 4.35Å
406	I	94.1	Very high	91.7	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.015	24%	0.236	C	C	.	.	H	α-helix	trans	-64.7	-41.5	176.2	-67.5	164.8	0	0	0	111.8	C364 W402 Y403 I404 V408 N409 D410	C364-I406 HydrophobicContact CB-CG2 4.33Å; C364-I406 VanDerWaalsContact SG-CG2 3.56Å; W402-I406 VanDerWaalsContact O-CG1 3.28Å; W402-I406 WeakPolarHBondContact O-CG1 3.47Å; W402-I406 PolarHBondContact O-N 2.98Å; W402-I406 VanDerWaalsContact O-N 3.09Å; Y403-I406 HydrophobicContact CD1-CD1 4.39Å; Y403-I406 PolarHBondContact O-N 2.68Å; I404-I406 VanDerWaalsContact C-N 3.27Å; I404-I406 PolarHBondContact O-N 3.29Å; I406-V408 PolarHBondContact O-N 3.4Å; I406-N409 VanDerWaalsContact O-CG 3.27Å; I406-N409 PolarHBondContact O-N 2.77Å; I406-N409 PolarHBondContact O-OD1 2.73Å; I406-D410 WeakPolarHBondContact CG2-OD2 3.39Å; I406-D410 WeakPolarHBondContact O-CB 3.43Å; I406-D410 VanDerWaalsContact O-CG 3.3Å; I406-D410 PolarHBondContact O-N 2.87Å
407	L	94.9	Very high	92.2	Very high	42 Å²	42	37.1 Å²	37.1	22%	0.22	21%	0.209	C	C	.	.	H	α-helix	trans	-61.9	-45	176.3	-75	-179.5	0	0	0	112.3	L361 C364 A365 L368 Y403 I404 N409 D410 V411	L361-L407 HydrophobicContact CD1-CD2 3.95Å; L361-L407 HydrophobicContact CG-CD2 3.88Å; C364-L407 HydrophobicContact CB-CD2 4.11Å; C364-L407 HydrophobicContact CB-CG 4.46Å; A365-L407 HydrophobicContact CB-CD2 4.32Å; L368-L407 HydrophobicContact CD1-CD1 3.33Å; L368-L407 HydrophobicContact CD1-CG 4.15Å; Y403-L407 WeakPolarHBondContact O-CG 3.43Å; Y403-L407 PolarHBondContact O-N 2.86Å; I404-L407 WeakPolarHBondContact O-CB 3.39Å; I404-L407 PolarHBondContact O-N 2.97Å; I404-L407 VanDerWaalsContact O-N 3.1Å; L407-N409 VanDerWaalsContact C-N 3.34Å; L407-D410 PolarHBondContact O-N 2.8Å; L407-V411 WeakPolarHBondContact O-CG2 3.38Å; L407-V411 PolarHBondContact O-N 3.38Å; L407-V411 VanDerWaalsContact O-N 3.07Å
408	V	95.6	Very high	92.9	Very high	73 Å²	73	40 Å²	40	44%	0.442	22%	0.219	S	C	.	.	H	α-helix	trans	-63.7	-43.2	178.9	176.9	0	0	0	0	110.4	I404 L405 I406 V411 C412 L446	I404-V408 HydrophobicContact CG2-CG2 4.49Å; I404-V408 WeakPolarHBondContact O-CG2 3.38Å; I404-V408 PolarHBondContact O-N 3.32Å; L405-V408 PolarHBondContact O-N 2.85Å; I406-V408 PolarHBondContact O-N 3.4Å; V408-V411 PolarHBondContact O-N 2.95Å; V408-C412 PolarHBondContact O-N 3.48Å; V408-C412 PolarHBondContact O-SG 3.36Å; V408-C412 VanDerWaalsContact O-SG 3.36Å; V408-L446 HydrophobicContact CG1-CD1 3.94Å
409	N	95.7	Very high	93.2	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-65.3	-40.4	178.4	79.7	32.5	0	0	0	112.9	K84 L405 I406 L407 V411 C412 I413 L446 V447	K84-N409 PolarHBondContact NZ-OD1 2.89Å; L405-N409 WeakPolarHBondContact O-CB 3.19Å; L405-N409 PolarHBondContact O-N 2.66Å; I406-N409 VanDerWaalsContact O-CG 3.27Å; I406-N409 PolarHBondContact O-N 2.77Å; I406-N409 PolarHBondContact O-OD1 2.73Å; L407-N409 VanDerWaalsContact C-N 3.34Å; N409-V411 VanDerWaalsContact C-N 3.33Å; N409-V411 PolarHBondContact O-N 3.41Å; N409-C412 PolarHBondContact O-N 3.02Å; N409-I413 WeakPolarHBondContact O-CB 3.36Å; N409-I413 WeakPolarHBondContact O-CD1 3.48Å; N409-I413 VanDerWaalsContact O-CG1 3.25Å; N409-I413 WeakPolarHBondContact O-CG1 3.4Å; N409-I413 PolarHBondContact O-N 3.47Å; N409-L446 HydrophobicContact CB-CB 3.59Å; N409-L446 HydrophobicContact CB-CD1 4.35Å; N409-V447 HydrophobicContact CB-CG2 4.01Å; N409-V447 WeakPolarHBondContact ND2-CG2 3.45Å
410	D	95.9	Very high	93.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.5	-40.1	177.5	-75.5	-28	0	0	0	110.8	K84 S360 L361 I406 L407 I413 L414	K84-D410 VanDerWaalsContact CD-OD1 3.28Å; K84-D410 WeakPolarHBondContact CD-OD1 3.32Å; K84-D410 IonicContact NZ-OD1 3.93Å; K84-D410 PolarHBondContact NZ-OD1 3.21Å; K84-D410 IonicContact NZ-OD2 3.88Å; S360-D410 VanDerWaalsContact CB-OD2 3.3Å; S360-D410 WeakPolarHBondContact CB-OD2 3.42Å; S360-D410 VanDerWaalsContact OG-CG 3.3Å; S360-D410 PolarHBondContact OG-OD1 2.85Å; S360-D410 PolarHBondContact OG-OD2 3.01Å; L361-D410 HydrophobicContact CB-CB 4.14Å; L361-D410 HydrophobicContact CD1-CB 3.8Å; L361-D410 PolarHBondContact N-OD2 3.18Å; I406-D410 WeakPolarHBondContact CG2-OD2 3.39Å; I406-D410 WeakPolarHBondContact O-CB 3.43Å; I406-D410 VanDerWaalsContact O-CG 3.3Å; I406-D410 PolarHBondContact O-N 2.87Å; L407-D410 PolarHBondContact O-N 2.8Å; D410-I413 PolarHBondContact O-N 3.47Å; D410-L414 VanDerWaalsContact O-CB 3.31Å; D410-L414 WeakPolarHBondContact O-CB 3.26Å; D410-L414 WeakPolarHBondContact O-CG 3.18Å; D410-L414 PolarHBondContact O-N 3.14Å
411	V	95.4	Very high	93.5	Very high	69 Å²	69	36.7 Å²	36.7	42%	0.418	20%	0.202	S	C	.	.	H	α-helix	trans	-63.9	-46.7	175.5	172.4	0	0	0	0	111.3	L361 L407 V408 N409 I413 L414 L415	L361-V411 HydrophobicContact CD1-CG2 3.86Å; L407-V411 WeakPolarHBondContact O-CG2 3.38Å; L407-V411 PolarHBondContact O-N 3.38Å; L407-V411 VanDerWaalsContact O-N 3.07Å; V408-V411 PolarHBondContact O-N 2.95Å; N409-V411 VanDerWaalsContact C-N 3.33Å; N409-V411 PolarHBondContact O-N 3.41Å; V411-I413 VanDerWaalsContact C-N 3.35Å; V411-I413 PolarHBondContact O-N 2.92Å; V411-L414 PolarHBondContact O-N 3.33Å; V411-L415 HydrophobicContact CG1-CD1 4.02Å; V411-L415 WeakPolarHBondContact O-CG 3.36Å; V411-L415 PolarHBondContact O-N 3.39Å
412	C	96	Very high	93.5	Very high	21 Å²	21	36.9 Å²	36.9	14%	0.142	19%	0.193	C	C	.	.	H	α-helix	trans	-60.3	-43.2	177.3	-69.1	0	0	0	0	112.1	V408 N409 G416	V408-C412 PolarHBondContact O-N 3.48Å; V408-C412 PolarHBondContact O-SG 3.36Å; V408-C412 VanDerWaalsContact O-SG 3.36Å; N409-C412 PolarHBondContact O-N 3.02Å; C412-G416 PolarHBondContact O-N 2.8Å
413	I	96.4	Very high	93.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-71.4	-39	-179	-66.6	162.4	0	0	0	111.5	V88 I353 C357 N409 D410 V411 G416 T417 V447	V88-I413 HydrophobicContact CG1-CD1 3.84Å; V88-I413 HydrophobicContact CG1-CG1 4.22Å; V88-I413 HydrophobicContact CG1-CG2 4.49Å; V88-I413 HydrophobicContact CG2-CD1 4.08Å; V88-I413 HydrophobicContact CG2-CG2 3.96Å; I353-I413 HydrophobicContact CG2-CG2 3.89Å; C357-I413 VanDerWaalsContact SG-CG2 3.6Å; N409-I413 WeakPolarHBondContact O-CB 3.36Å; N409-I413 WeakPolarHBondContact O-CD1 3.48Å; N409-I413 VanDerWaalsContact O-CG1 3.25Å; N409-I413 WeakPolarHBondContact O-CG1 3.4Å; N409-I413 PolarHBondContact O-N 3.47Å; D410-I413 PolarHBondContact O-N 3.47Å; V411-I413 VanDerWaalsContact C-N 3.35Å; V411-I413 PolarHBondContact O-N 2.92Å; I413-G416 PolarHBondContact O-N 3.1Å; I413-T417 VanDerWaalsContact O-CB 3.27Å; I413-T417 WeakPolarHBondContact O-CB 3.31Å; I413-T417 PolarHBondContact O-N 3.34Å; I413-T417 PolarHBondContact O-OG1 3.1Å; I413-V447 HydrophobicContact CD1-CG2 3.43Å; I413-V447 VanDerWaalsContact CD1-CG2 3.43Å
414	L	96	Very high	92.3	Very high	30 Å²	30	35.7 Å²	35.7	16%	0.157	19%	0.192	C	C	.	.	H	α-helix	trans	-61.8	-49.7	175.1	-76.2	169.8	0	0	0	110.9	L354 C357 V358 D410 V411 T417 L418	L354-L414 HydrophobicContact CD2-CD2 3.89Å; C357-L414 HydrophobicContact CB-CD1 4.4Å; C357-L414 HydrophobicContact CB-CD2 3.64Å; C357-L414 HydrophobicContact CB-CG 3.8Å; V358-L414 HydrophobicContact CG2-CD1 4.29Å; V358-L414 HydrophobicContact CG2-CD2 3.97Å; D410-L414 VanDerWaalsContact O-CB 3.31Å; D410-L414 WeakPolarHBondContact O-CB 3.26Å; D410-L414 WeakPolarHBondContact O-CG 3.18Å; D410-L414 PolarHBondContact O-N 3.14Å; V411-L414 PolarHBondContact O-N 3.33Å; L414-T417 PolarHBondContact O-N 2.97Å; L414-L418 WeakPolarHBondContact O-CB 3.47Å; L414-L418 VanDerWaalsContact O-CG 3.25Å; L414-L418 WeakPolarHBondContact O-CG 3.15Å; L414-L418 PolarHBondContact O-N 3.42Å
415	L	95.2	Very high	91.4	Very high	90 Å²	90	40 Å²	40	47%	0.471	21%	0.208	S	C	.	.	H	α-helix	trans	-61.9	-46	176.7	-67.8	174.7	0	0	0	111.2	V411 T417 L418 L419 L439	V411-L415 HydrophobicContact CG1-CD1 4.02Å; V411-L415 WeakPolarHBondContact O-CG 3.36Å; V411-L415 PolarHBondContact O-N 3.39Å; L415-T417 PolarHBondContact O-N 2.86Å; L415-L418 PolarHBondContact O-N 3.33Å; L415-L419 VanDerWaalsContact O-CG 3.31Å; L415-L419 WeakPolarHBondContact O-CG 3.26Å; L415-L419 PolarHBondContact O-N 2.8Å; L415-L439 HydrophobicContact CB-CD1 4.27Å
416	G	94.8	Very high	90.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-41.6	177.5	0	0	0	0	0	113.4	C412 I413 L419 K420	C412-G416 PolarHBondContact O-N 2.8Å; I413-G416 PolarHBondContact O-N 3.1Å; G416-L419 PolarHBondContact O-N 3.37Å; G416-K420 WeakPolarHBondContact O-CB 3.49Å; G416-K420 PolarHBondContact O-N 2.8Å
417	T	93.9	Very high	88.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-69.9	-37	178.7	-55.7	0	0	0	0	111.6	Q91 D350 L354 I413 L414 L415 K420 L421	Q91-T417 PolarHBondContact NE2-OG1 3.49Å; Q91-T417 VanDerWaalsContact NE2-OG1 3.11Å; D350-T417 HydrophobicContact CB-CG2 4.21Å; L354-T417 HydrophobicContact CD2-CG2 3.75Å; L354-T417 HydrophobicContact CG-CG2 3.93Å; I413-T417 VanDerWaalsContact O-CB 3.27Å; I413-T417 WeakPolarHBondContact O-CB 3.31Å; I413-T417 PolarHBondContact O-N 3.34Å; I413-T417 PolarHBondContact O-OG1 3.1Å; L414-T417 PolarHBondContact O-N 2.97Å; L415-T417 PolarHBondContact O-N 2.86Å; T417-K420 PolarHBondContact O-N 3.33Å; T417-L421 WeakPolarHBondContact O-CG 3.46Å; T417-L421 PolarHBondContact O-N 3.01Å
418	L	92.8	Very high	87.5	Confident	94 Å²	94	47.2 Å²	47.2	49%	0.492	24%	0.243	S	C	.	.	H	α-helix	trans	-64.5	-43.2	174.6	-71.4	172.9	0	0	0	112	L354 L414 L415 K420 L421 D422	L354-L418 HydrophobicContact CD1-CD2 4.3Å; L354-L418 HydrophobicContact CD2-CD2 4.19Å; L354-L418 HydrophobicContact CD2-CG 4.26Å; L414-L418 WeakPolarHBondContact O-CB 3.47Å; L414-L418 VanDerWaalsContact O-CG 3.25Å; L414-L418 WeakPolarHBondContact O-CG 3.15Å; L414-L418 PolarHBondContact O-N 3.42Å; L415-L418 PolarHBondContact O-N 3.33Å; L418-K420 VanDerWaalsContact C-N 3.34Å; L418-L421 PolarHBondContact O-N 2.8Å; L418-D422 PolarHBondContact O-N 3.15Å
419	L	91.7	Very high	86.6	Confident	50 Å²	50	47.7 Å²	47.7	26%	0.262	24%	0.242	S	C	.	.	H	α-helix	trans	-67.6	-35.8	175.5	-61.5	173.2	0	0	0	111.7	L415 G416 D422 L423 L432 T436 L439	L415-L419 VanDerWaalsContact O-CG 3.31Å; L415-L419 WeakPolarHBondContact O-CG 3.26Å; L415-L419 PolarHBondContact O-N 2.8Å; G416-L419 PolarHBondContact O-N 3.37Å; L419-D422 PolarHBondContact O-N 3.41Å; L419-L423 WeakPolarHBondContact O-CG 3.47Å; L419-L423 PolarHBondContact O-N 2.86Å; L419-L432 HydrophobicContact CB-CD1 3.85Å; L419-L432 HydrophobicContact CD1-CD1 4.15Å; L419-L432 HydrophobicContact CD2-CD1 3.53Å; L419-L432 HydrophobicContact CG-CD1 4Å; L419-T436 VanDerWaalsContact CB-OG1 3.3Å; L419-T436 WeakPolarHBondContact CB-OG1 3.07Å; L419-L439 HydrophobicContact CD1-CD1 3.62Å
420	K	90.6	Very high	85.8	Confident	6 Å²	6	50.1 Å²	50.1	3%	0.026	26%	0.26	C	S	.	.	H	α-helix	trans	-61.3	-45.9	172.9	-173.4	-172.5	172.3	-164.2	0	111.6	Q91 F95 D350 G416 T417 L418 D422 L423 E424 T436 L440	Q91-K420 HydrophobicContact CG-CD 4.41Å; F95-K420 HydrophobicContact CD2-CD 4.17Å; F95-K420 HydrophobicContact CD2-CG 4.17Å; F95-K420 HydrophobicContact CE2-CG 4.47Å; D350-K420 IonicContact OD1-NZ 2.87Å; D350-K420 PolarHBondContact OD1-NZ 2.89Å; D350-K420 WeakPolarHBondContact OD2-CE 3.42Å; D350-K420 IonicContact OD2-NZ 2.88Å; D350-K420 PolarHBondContact OD2-NZ 2.88Å; G416-K420 WeakPolarHBondContact O-CB 3.49Å; G416-K420 PolarHBondContact O-N 2.8Å; T417-K420 PolarHBondContact O-N 3.33Å; L418-K420 VanDerWaalsContact C-N 3.34Å; K420-D422 VanDerWaalsContact C-N 3.29Å; K420-D422 PolarHBondContact O-N 3.4Å; K420-L423 WeakPolarHBondContact O-CB 3.34Å; K420-L423 PolarHBondContact O-N 2.94Å; K420-E424 PolarHBondContact O-N 3.26Å; K420-T436 HydrophobicContact CB-CG2 3.89Å; K420-L440 HydrophobicContact CD-CD1 4.35Å
421	L	88.1	Confident	85.2	Confident	22 Å²	22	53.8 Å²	53.8	12%	0.115	29%	0.285	C	S	.	.	H	α-helix	trans	-62.6	-39	175.1	-71.2	171.1	0	0	0	111.1	D350 L354 T417 L418 L423 E424 F425	D350-L421 HydrophobicContact CB-CD2 4.01Å; L354-L421 HydrophobicContact CD1-CD1 3.73Å; T417-L421 WeakPolarHBondContact O-CG 3.46Å; T417-L421 PolarHBondContact O-N 3.01Å; L418-L421 PolarHBondContact O-N 2.8Å; L421-L423 VanDerWaalsContact C-N 3.3Å; L421-L423 PolarHBondContact O-N 2.77Å; L421-E424 PolarHBondContact O-N 3.38Å; L421-E424 VanDerWaalsContact O-N 3.15Å; L421-F425 HydrophobicContact CD2-CE2 4.47Å; L421-F425 WeakPolarHBondContact O-CD2 3.08Å; L421-F425 PolarHBondContact O-N 3.18Å; L421-F425 VanDerWaalsContact O-N 3.09Å
422	D	86.4	Confident	84.8	Confident	50 Å²	50	52.1 Å²	52.1	27%	0.267	27%	0.274	S	S	.	.	H	α-helix	trans	-62.3	-38.5	175	-154.4	33.8	0	0	0	111.8	L418 L419 K420 E424 F425 K426	L418-D422 PolarHBondContact O-N 3.15Å; L419-D422 PolarHBondContact O-N 3.41Å; K420-D422 VanDerWaalsContact C-N 3.29Å; K420-D422 PolarHBondContact O-N 3.4Å; D422-E424 VanDerWaalsContact C-N 3.32Å; D422-E424 PolarHBondContact O-N 3.36Å; D422-F425 PolarHBondContact O-N 2.93Å; D422-K426 VanDerWaalsContact O-CB 3.29Å; D422-K426 WeakPolarHBondContact O-CB 3.28Å; D422-K426 PolarHBondContact O-N 2.81Å; D422-K426 WeakPolarHBondContact OD1-CD 3.45Å; D422-K426 WeakPolarHBondContact OD1-CE 3.41Å; D422-K426 WeakPolarHBondContact OD1-CG 3.41Å; D422-K426 IonicContact OD1-NZ 3.35Å; D422-K426 PolarHBondContact OD1-NZ 3.23Å; D422-K426 IonicContact OD2-NZ 2.89Å; D422-K426 PolarHBondContact OD2-NZ 2.82Å
423	L	82.3	Confident	84.4	Confident	19 Å²	19	51.5 Å²	51.5	10%	0.099	27%	0.269	C	S	.	.	H	α-helix	trans	-65.6	-29.8	173.7	-74.7	167.8	0	0	0	113.5	L419 K420 L421 F428 L432 L433 T436	L419-L423 WeakPolarHBondContact O-CG 3.47Å; L419-L423 PolarHBondContact O-N 2.86Å; K420-L423 WeakPolarHBondContact O-CB 3.34Å; K420-L423 PolarHBondContact O-N 2.94Å; L421-L423 VanDerWaalsContact C-N 3.3Å; L421-L423 PolarHBondContact O-N 2.77Å; L423-F428 HydrophobicContact CD2-CD2 4.03Å; L423-F428 HydrophobicContact CD2-CE2 4.49Å; L423-F428 HydrophobicContact CD2-CG 4.43Å; L423-L432 HydrophobicContact CD1-CG 4.19Å; L423-L432 HydrophobicContact CD2-CB 4.01Å; L423-L432 HydrophobicContact CD2-CD2 3.63Å; L423-L432 HydrophobicContact CD2-CG 3.76Å; L423-L432 HydrophobicContact CG-CD2 3.74Å; L423-L432 HydrophobicContact CG-CG 3.81Å; L423-L433 HydrophobicContact CD1-CD1 4.4Å; L423-T436 HydrophobicContact CD1-CG2 4.24Å; L423-T436 WeakPolarHBondContact CD1-OG1 3.48Å
424	E	76.4	Confident	84.1	Confident	67 Å²	67	54.1 Å²	54.1	31%	0.313	29%	0.285	S	S	.	.	H	α-helix	trans	-76.6	-32	175.9	-71.2	-173.2	-180	0	0	112.4	T347 K420 L421 D422	T347-E424 PolarHBondContact OG1-OE2 3.36Å; T347-E424 VanDerWaalsContact OG1-OE2 3.04Å; K420-E424 PolarHBondContact O-N 3.26Å; L421-E424 PolarHBondContact O-N 3.38Å; L421-E424 VanDerWaalsContact O-N 3.15Å; D422-E424 VanDerWaalsContact C-N 3.32Å; D422-E424 PolarHBondContact O-N 3.36Å
425	F	73.8	Confident	84	Confident	162 Å²	162	54.5 Å²	54.5	71%	0.711	29%	0.292	S	S	*	.	H	α-helix	trans	-96.7	-25.8	-177.2	-71.4	-65.2	0	0	0	114.8	L421 D422	L421-F425 HydrophobicContact CD2-CE2 4.47Å; L421-F425 WeakPolarHBondContact O-CD2 3.08Å; L421-F425 PolarHBondContact O-N 3.18Å; L421-F425 VanDerWaalsContact O-N 3.09Å; D422-F425 PolarHBondContact O-N 2.93Å
426	K	68.7	Low	83.9	Confident	128 Å²	128	50.2 Å²	50.2	56%	0.557	27%	0.27	S	S	*	.	S	Bend	trans	-108.1	169.4	179.5	-67	-172.3	-172.3	142.7	0	112.1	D422 F428	D422-K426 VanDerWaalsContact O-CB 3.29Å; D422-K426 WeakPolarHBondContact O-CB 3.28Å; D422-K426 PolarHBondContact O-N 2.81Å; D422-K426 WeakPolarHBondContact OD1-CD 3.45Å; D422-K426 WeakPolarHBondContact OD1-CE 3.41Å; D422-K426 WeakPolarHBondContact OD1-CG 3.41Å; D422-K426 IonicContact OD1-NZ 3.35Å; D422-K426 PolarHBondContact OD1-NZ 3.23Å; D422-K426 IonicContact OD2-NZ 2.89Å; D422-K426 PolarHBondContact OD2-NZ 2.82Å; K426-F428 PolarHBondContact O-N 2.59Å
427	V	65.2	Low	83.8	Confident	79 Å²	79	50.9 Å²	50.9	48%	0.479	28%	0.277	S	S	.	.			trans	-58.1	127.5	170.3	178.6	0	0	0	0	109	Y326 D429	Y326-V427 HydrophobicContact CD1-CG1 3.97Å; V427-D429 PolarHBondContact O-N 2.05Å
428	F	67.7	Low	83.9	Confident	31 Å²	31	56.7 Å²	56.7	14%	0.136	31%	0.305	C	S	.	.			trans	-59.9	128.4	-177.1	-168.1	-92.7	0	0	0	111.9	H102 Y326 L423 K426 L433	H102-F428 AromaticContact CD2-CE1 3.83Å; H102-F428 AromaticContact CE1-CE1 3.8Å; H102-F428 AromaticContact NE2-CE1 3.47Å; H102-F428 WeakPolarHBondContact NE2-CE1 3.08Å; Y326-F428 HydrophobicContact CD2-CB 4.13Å; Y326-F428 HydrophobicContact CG-CB 4.11Å; L423-F428 HydrophobicContact CD2-CD2 4.03Å; L423-F428 HydrophobicContact CD2-CE2 4.49Å; L423-F428 HydrophobicContact CD2-CG 4.43Å; K426-F428 PolarHBondContact O-N 2.59Å; F428-L433 HydrophobicContact CE1-CB 4.15Å; F428-L433 HydrophobicContact CE1-CD2 3.72Å; F428-L433 HydrophobicContact CE1-CG 4.3Å; F428-L433 HydrophobicContact CE2-CB 4.47Å; F428-L433 HydrophobicContact CE2-CD1 3.73Å; F428-L433 HydrophobicContact CE2-CD2 4.4Å; F428-L433 HydrophobicContact CE2-CG 4.38Å; F428-L433 HydrophobicContact CZ-CB 3.9Å; F428-L433 HydrophobicContact CZ-CD1 3.49Å; F428-L433 VanDerWaalsContact CZ-CD1 3.49Å; F428-L433 HydrophobicContact CZ-CD2 3.33Å; F428-L433 HydrophobicContact CZ-CG 3.71Å
429	D	76.2	Confident	84	Confident	82 Å²	82	54.5 Å²	54.5	44%	0.439	29%	0.294	S	S	.	.			trans	-116.8	126.1	174.4	-174.1	-26.1	0	0	0	109.5	V427 S431 L432 L433	V427-D429 PolarHBondContact O-N 2.05Å; D429-S431 PolarHBondContact O-N 3.34Å; D429-S431 WeakPolarHBondContact OD1-CB 3.42Å; D429-S431 PolarHBondContact OD1-N 2.93Å; D429-S431 PolarHBondContact OD1-OG 3.29Å; D429-S431 PolarHBondContact OD2-OG 2.82Å; D429-L432 HydrophobicContact CB-CB 3.97Å; D429-L432 PolarHBondContact O-N 3.3Å; D429-L432 VanDerWaalsContact O-N 3.16Å; D429-L433 PolarHBondContact O-N 3.43Å
430	S	78.1	Confident	84.2	Confident	53 Å²	53	52.1 Å²	52.1	37%	0.371	28%	0.282	S	S	.	.	H	α-helix	trans	-59	-33.1	180	-58.1	0	0	0	0	113	T434	S430-T434 WeakPolarHBondContact O-CB 3.29Å; S430-T434 PolarHBondContact O-N 2.88Å; S430-T434 VanDerWaalsContact O-N 3.08Å; S430-T434 PolarHBondContact O-OG1 2.81Å
431	S	83.9	Confident	84.5	Confident	77 Å²	77	53.2 Å²	53.2	54%	0.538	29%	0.294	S	S	.	.	H	α-helix	trans	-69.3	-43.9	176.9	67.2	0	0	0	0	111.1	D429 T434 A435	D429-S431 PolarHBondContact O-N 3.34Å; D429-S431 WeakPolarHBondContact OD1-CB 3.42Å; D429-S431 PolarHBondContact OD1-N 2.93Å; D429-S431 PolarHBondContact OD1-OG 3.29Å; D429-S431 PolarHBondContact OD2-OG 2.82Å; S431-T434 WeakPolarHBondContact O-CB 3.43Å; S431-T434 PolarHBondContact O-N 3.31Å; S431-A435 PolarHBondContact O-N 2.85Å
432	L	87.1	Confident	84.9	Confident	34 Å²	34	55.9 Å²	55.9	18%	0.178	31%	0.311	C	S	.	.	H	α-helix	trans	-66.7	-38.9	177	-175.1	61.4	0	0	0	111.6	L419 L423 D429 T434 A435 T436	L419-L432 HydrophobicContact CB-CD1 3.85Å; L419-L432 HydrophobicContact CD1-CD1 4.15Å; L419-L432 HydrophobicContact CD2-CD1 3.53Å; L419-L432 HydrophobicContact CG-CD1 4Å; L423-L432 HydrophobicContact CD1-CG 4.19Å; L423-L432 HydrophobicContact CD2-CB 4.01Å; L423-L432 HydrophobicContact CD2-CD2 3.63Å; L423-L432 HydrophobicContact CD2-CG 3.76Å; L423-L432 HydrophobicContact CG-CD2 3.74Å; L423-L432 HydrophobicContact CG-CG 3.81Å; D429-L432 HydrophobicContact CB-CB 3.97Å; D429-L432 PolarHBondContact O-N 3.3Å; D429-L432 VanDerWaalsContact O-N 3.16Å; L432-T434 VanDerWaalsContact C-N 3.31Å; L432-T434 PolarHBondContact O-N 2.91Å; L432-A435 PolarHBondContact O-N 3.32Å; L432-T436 VanDerWaalsContact O-CB 3.25Å; L432-T436 WeakPolarHBondContact O-CB 3.45Å; L432-T436 PolarHBondContact O-N 2.88Å; L432-T436 PolarHBondContact O-OG1 2.88Å
433	L	86.6	Confident	85.3	Confident	7 Å²	7	53.5 Å²	53.5	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-59.3	-43.4	172.1	-179.1	71.7	0	0	0	111.5	F95 R99 L423 F428 D429 G437	F95-L433 HydrophobicContact CE2-CD1 3.99Å; F95-L433 HydrophobicContact CZ-CD1 3.76Å; R99-L433 HydrophobicContact CG-CD2 4.31Å; R99-L433 HydrophobicContact CG-CG 4.5Å; R99-L433 PolarHBondContact NH1-O 2.81Å; L423-L433 HydrophobicContact CD1-CD1 4.4Å; F428-L433 HydrophobicContact CE1-CB 4.15Å; F428-L433 HydrophobicContact CE1-CD2 3.72Å; F428-L433 HydrophobicContact CE1-CG 4.3Å; F428-L433 HydrophobicContact CE2-CB 4.47Å; F428-L433 HydrophobicContact CE2-CD1 3.73Å; F428-L433 HydrophobicContact CE2-CD2 4.4Å; F428-L433 HydrophobicContact CE2-CG 4.38Å; F428-L433 HydrophobicContact CZ-CB 3.9Å; F428-L433 HydrophobicContact CZ-CD1 3.49Å; F428-L433 VanDerWaalsContact CZ-CD1 3.49Å; F428-L433 HydrophobicContact CZ-CD2 3.33Å; F428-L433 HydrophobicContact CZ-CG 3.71Å; D429-L433 PolarHBondContact O-N 3.43Å; L433-G437 PolarHBondContact O-N 3.48Å
434	T	91.2	Very high	86	Confident	56 Å²	56	52.9 Å²	52.9	34%	0.344	30%	0.296	S	S	.	.	H	α-helix	trans	-64.9	-49.6	179.9	-59.7	0	0	0	0	110.7	R99 S430 S431 L432 T436 G437 M438	R99-T434 PolarHBondContact NH1-O 3.06Å; S430-T434 WeakPolarHBondContact O-CB 3.29Å; S430-T434 PolarHBondContact O-N 2.88Å; S430-T434 VanDerWaalsContact O-N 3.08Å; S430-T434 PolarHBondContact O-OG1 2.81Å; S431-T434 WeakPolarHBondContact O-CB 3.43Å; S431-T434 PolarHBondContact O-N 3.31Å; L432-T434 VanDerWaalsContact C-N 3.31Å; L432-T434 PolarHBondContact O-N 2.91Å; T434-T436 PolarHBondContact O-N 3.44Å; T434-G437 PolarHBondContact O-N 3.4Å; T434-M438 HydrophobicContact CG2-CE 3.79Å; T434-M438 HydrophobicContact CG2-SD 4.38Å; T434-M438 WeakPolarHBondContact O-CG 3.3Å; T434-M438 PolarHBondContact O-N 3.4Å
435	A	92.4	Very high	86.9	Confident	37 Å²	37	55.9 Å²	55.9	31%	0.306	31%	0.308	S	S	.	.	H	α-helix	trans	-61.1	-43.3	177.4	0	0	0	0	0	112.4	S431 L432 G437 M438 L439	S431-A435 PolarHBondContact O-N 2.85Å; L432-A435 PolarHBondContact O-N 3.32Å; A435-G437 PolarHBondContact O-N 2.73Å; A435-M438 PolarHBondContact O-N 3.35Å; A435-L439 WeakPolarHBondContact O-CB 3.17Å; A435-L439 WeakPolarHBondContact O-CG 3.08Å; A435-L439 PolarHBondContact O-N 3.46Å
436	T	93.2	Very high	87.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.9	-46.6	176.5	-59.9	0	0	0	0	111	F95 L419 K420 L423 L432 T434 M438 L439 L440	F95-T436 HydrophobicContact CE1-CG2 4.36Å; F95-T436 HydrophobicContact CE2-CG2 3.74Å; F95-T436 HydrophobicContact CZ-CG2 3.61Å; L419-T436 VanDerWaalsContact CB-OG1 3.3Å; L419-T436 WeakPolarHBondContact CB-OG1 3.07Å; K420-T436 HydrophobicContact CB-CG2 3.89Å; L423-T436 HydrophobicContact CD1-CG2 4.24Å; L423-T436 WeakPolarHBondContact CD1-OG1 3.48Å; L432-T436 VanDerWaalsContact O-CB 3.25Å; L432-T436 WeakPolarHBondContact O-CB 3.45Å; L432-T436 PolarHBondContact O-N 2.88Å; L432-T436 PolarHBondContact O-OG1 2.88Å; T434-T436 PolarHBondContact O-N 3.44Å; T436-M438 PolarHBondContact O-N 3.38Å; T436-L439 PolarHBondContact O-N 3.32Å; T436-L440 HydrophobicContact CG2-CD1 3.84Å; T436-L440 HydrophobicContact CG2-CG 4.36Å; T436-L440 WeakPolarHBondContact O-CB 3.33Å; T436-L440 WeakPolarHBondContact O-CG 3.45Å; T436-L440 PolarHBondContact O-N 3.09Å
437	G	94.1	Very high	89.2	Confident	14 Å²	14	43.7 Å²	43.7	14%	0.144	26%	0.256	C	S	.	.	H	α-helix	trans	-66.8	-34.7	177.5	0	0	0	0	0	113.8	L433 T434 A435 G441	L433-G437 PolarHBondContact O-N 3.48Å; T434-G437 PolarHBondContact O-N 3.4Å; A435-G437 PolarHBondContact O-N 2.73Å; G437-G441 WeakPolarHBondContact O-CA 3.42Å; G437-G441 PolarHBondContact O-N 3.08Å
438	M	94.7	Very high	90.6	Very high	122 Å²	122	46.4 Å²	46.4	60%	0.601	26%	0.258	S	S	*	.	H	α-helix	trans	-65.4	-47.8	172.7	-71.8	178.7	177.4	0	0	111.4	T434 A435 T436 G441 V442	T434-M438 HydrophobicContact CG2-CE 3.79Å; T434-M438 HydrophobicContact CG2-SD 4.38Å; T434-M438 WeakPolarHBondContact O-CG 3.3Å; T434-M438 PolarHBondContact O-N 3.4Å; A435-M438 PolarHBondContact O-N 3.35Å; T436-M438 PolarHBondContact O-N 3.38Å; M438-G441 PolarHBondContact O-N 3.39Å; M438-V442 WeakPolarHBondContact O-CB 3.29Å; M438-V442 VanDerWaalsContact O-CG2 3.26Å; M438-V442 WeakPolarHBondContact O-CG2 3.35Å; M438-V442 PolarHBondContact O-N 2.76Å
439	L	96	Very high	91.8	Very high	48 Å²	48	48.7 Å²	48.7	25%	0.251	27%	0.27	S	S	.	.	H	α-helix	trans	-66.6	-46.4	-178.4	-74.4	168.4	0	0	0	112.7	L415 L419 A435 T436 G443	L415-L439 HydrophobicContact CB-CD1 4.27Å; L419-L439 HydrophobicContact CD1-CD1 3.62Å; A435-L439 WeakPolarHBondContact O-CB 3.17Å; A435-L439 WeakPolarHBondContact O-CG 3.08Å; A435-L439 PolarHBondContact O-N 3.46Å; T436-L439 PolarHBondContact O-N 3.32Å; L439-G443 WeakPolarHBondContact O-CA 3.49Å; L439-G443 PolarHBondContact O-N 3.18Å
440	L	96	Very high	92.5	Very high	1 Å²	1	45 Å²	45	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-67.1	-39.1	176.2	-69.9	178	0	0	0	111.6	L92 F95 K420 T436 T444	L92-L440 HydrophobicContact CD1-CB 4.07Å; F95-L440 HydrophobicContact CD1-CD1 4.23Å; F95-L440 HydrophobicContact CG-CD1 4.22Å; K420-L440 HydrophobicContact CD-CD1 4.35Å; T436-L440 HydrophobicContact CG2-CD1 3.84Å; T436-L440 HydrophobicContact CG2-CG 4.36Å; T436-L440 WeakPolarHBondContact O-CB 3.33Å; T436-L440 WeakPolarHBondContact O-CG 3.45Å; T436-L440 PolarHBondContact O-N 3.09Å; L440-T444 VanDerWaalsContact O-CB 3.28Å; L440-T444 WeakPolarHBondContact O-CB 3.26Å; L440-T444 PolarHBondContact O-N 3.41Å; L440-T444 PolarHBondContact O-OG1 3.14Å
441	G	96	Very high	93.1	Very high	28 Å²	28	44.1 Å²	44.1	29%	0.289	24%	0.242	S	C	.	.	H	α-helix	trans	-63.1	-53.1	176.7	0	0	0	0	0	112.4	G437 M438 T444 F445	G437-G441 WeakPolarHBondContact O-CA 3.42Å; G437-G441 PolarHBondContact O-N 3.08Å; M438-G441 PolarHBondContact O-N 3.39Å; G441-T444 PolarHBondContact O-N 3.43Å; G441-F445 WeakPolarHBondContact O-CB 3.34Å; G441-F445 PolarHBondContact O-N 3.26Å
442	V	96.3	Very high	93.3	Very high	78 Å²	78	43.6 Å²	43.6	47%	0.473	23%	0.233	S	C	.	.	H	α-helix	trans	-63.2	-43.5	176.6	173	0	0	0	0	110.9	M438 T444 F445 L446	M438-V442 WeakPolarHBondContact O-CB 3.29Å; M438-V442 VanDerWaalsContact O-CG2 3.26Å; M438-V442 WeakPolarHBondContact O-CG2 3.35Å; M438-V442 PolarHBondContact O-N 2.76Å; V442-T444 PolarHBondContact O-N 3.47Å; V442-F445 PolarHBondContact O-N 3.11Å; V442-L446 HydrophobicContact CG1-CD1 4.12Å; V442-L446 HydrophobicContact CG1-CG 4.42Å; V442-L446 VanDerWaalsContact O-CG 3.31Å; V442-L446 WeakPolarHBondContact O-CG 3.48Å; V442-L446 PolarHBondContact O-N 3.21Å
443	G	95.9	Very high	93.4	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.9	-47.4	177.3	0	0	0	0	0	112.4	L439 L446 V447	L439-G443 WeakPolarHBondContact O-CA 3.49Å; L439-G443 PolarHBondContact O-N 3.18Å; G443-L446 PolarHBondContact O-N 2.62Å; G443-V447 WeakPolarHBondContact O-CG2 3.33Å; G443-V447 PolarHBondContact O-N 2.87Å
444	T	95.6	Very high	93.3	Very high	6 Å²	6	44.5 Å²	44.5	4%	0.037	23%	0.234	C	C	.	.	H	α-helix	trans	-67	-41.5	178.3	-54	0	0	0	0	111.7	V88 L92 L440 G441 V442 L446 V447 W448	V88-T444 HydrophobicContact CG1-CG2 4.32Å; V88-T444 VanDerWaalsContact CG1-OG1 3.29Å; V88-T444 WeakPolarHBondContact CG1-OG1 3.47Å; L92-T444 HydrophobicContact CD2-CG2 3.65Å; L440-T444 VanDerWaalsContact O-CB 3.28Å; L440-T444 WeakPolarHBondContact O-CB 3.26Å; L440-T444 PolarHBondContact O-N 3.41Å; L440-T444 PolarHBondContact O-OG1 3.14Å; G441-T444 PolarHBondContact O-N 3.43Å; V442-T444 PolarHBondContact O-N 3.47Å; T444-L446 VanDerWaalsContact C-N 3.32Å; T444-L446 PolarHBondContact O-N 2.88Å; T444-V447 WeakPolarHBondContact O-CB 3.27Å; T444-V447 PolarHBondContact O-N 2.98Å; T444-V447 VanDerWaalsContact O-N 3.09Å; T444-W448 PolarHBondContact O-N 2.98Å
445	F	96.1	Very high	93	Very high	131 Å²	131	46.1 Å²	46.1	58%	0.575	24%	0.236	S	C	*	.	H	α-helix	trans	-54.8	-47	173.1	169.4	-103	0	0	0	111.6	G441 V442 V447 W448 M449	G441-F445 WeakPolarHBondContact O-CB 3.34Å; G441-F445 PolarHBondContact O-N 3.26Å; V442-F445 PolarHBondContact O-N 3.11Å; F445-V447 VanDerWaalsContact C-N 3.33Å; F445-V447 PolarHBondContact O-N 3.29Å; F445-W448 PolarHBondContact O-N 2.92Å; F445-M449 HydrophobicContact CD2-CG 4.46Å; F445-M449 HydrophobicContact CE1-CG 4.11Å; F445-M449 HydrophobicContact CE2-CG 4.03Å; F445-M449 HydrophobicContact CE2-SD 4.48Å; F445-M449 HydrophobicContact CZ-CG 3.85Å; F445-M449 HydrophobicContact CZ-SD 4.39Å; F445-M449 WeakPolarHBondContact O-CB 3.29Å; F445-M449 WeakPolarHBondContact O-CG 3.34Å; F445-M449 PolarHBondContact O-N 3.1Å
446	L	95.9	Very high	92.3	Very high	29 Å²	29	44.6 Å²	44.6	15%	0.152	22%	0.224	C	C	.	.	H	α-helix	trans	-68.2	-29.8	177.3	-63	174.8	0	0	0	112.9	L405 V408 N409 V442 G443 T444 G450	L405-L446 HydrophobicContact CD1-CB 4.36Å; L405-L446 HydrophobicContact CD1-CD2 3.7Å; V408-L446 HydrophobicContact CG1-CD1 3.94Å; N409-L446 HydrophobicContact CB-CB 3.59Å; N409-L446 HydrophobicContact CB-CD1 4.35Å; V442-L446 HydrophobicContact CG1-CD1 4.12Å; V442-L446 HydrophobicContact CG1-CG 4.42Å; V442-L446 VanDerWaalsContact O-CG 3.31Å; V442-L446 WeakPolarHBondContact O-CG 3.48Å; V442-L446 PolarHBondContact O-N 3.21Å; G443-L446 PolarHBondContact O-N 2.62Å; T444-L446 VanDerWaalsContact C-N 3.32Å; T444-L446 PolarHBondContact O-N 2.88Å; L446-G450 PolarHBondContact O-N 2.64Å
447	V	95.5	Very high	91.7	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.024	23%	0.232	C	C	.	.	H	α-helix	trans	-66.2	-47.5	172.1	166.3	0	0	0	0	111.1	V85 N409 I413 G443 T444 F445 G450 I451	V85-V447 HydrophobicContact CB-CG1 4.2Å; V85-V447 HydrophobicContact CG2-CG1 3.51Å; N409-V447 HydrophobicContact CB-CG2 4.01Å; N409-V447 WeakPolarHBondContact ND2-CG2 3.45Å; I413-V447 HydrophobicContact CD1-CG2 3.43Å; I413-V447 VanDerWaalsContact CD1-CG2 3.43Å; G443-V447 WeakPolarHBondContact O-CG2 3.33Å; G443-V447 PolarHBondContact O-N 2.87Å; T444-V447 WeakPolarHBondContact O-CB 3.27Å; T444-V447 PolarHBondContact O-N 2.98Å; T444-V447 VanDerWaalsContact O-N 3.09Å; F445-V447 VanDerWaalsContact C-N 3.33Å; F445-V447 PolarHBondContact O-N 3.29Å; V447-G450 WeakPolarHBondContact O-CA 3.24Å; V447-G450 PolarHBondContact O-N 3.28Å; V447-I451 PolarHBondContact O-N 3.41Å
448	W	94.7	Very high	91.2	Very high	136 Å²	136	51.5 Å²	51.5	52%	0.515	25%	0.251	S	S	.	.	H	α-helix	trans	-63.8	-42.2	176.3	-82.8	92.6	0	0	0	112.1	V85 T89 T444 F445 G450 I451	V85-W448 HydrophobicContact CG1-CZ2 4.46Å; T89-W448 HydrophobicContact CG2-CZ2 4.2Å; T89-W448 PolarHBondContact OG1-NE1 3.29Å; T89-W448 VanDerWaalsContact OG1-NE1 3.12Å; T444-W448 PolarHBondContact O-N 2.98Å; F445-W448 PolarHBondContact O-N 2.92Å; W448-G450 PolarHBondContact O-N 2.94Å; W448-I451 HydrophobicContact CD2-CD1 3.89Å; W448-I451 HydrophobicContact CE3-CD1 3.46Å; W448-I451 VanDerWaalsContact CE3-CD1 3.46Å; W448-I451 HydrophobicContact CG-CD1 4.44Å; W448-I451 HydrophobicContact CZ3-CD1 3.81Å; W448-I451 VanDerWaalsContact O-CB 3.28Å; W448-I451 WeakPolarHBondContact O-CB 3.33Å; W448-I451 PolarHBondContact O-N 2.77Å
449	M	92.7	Very high	90.2	Very high	79 Å²	79	49 Å²	49	39%	0.389	25%	0.245	S	C	.	.	H	α-helix	trans	-58.1	-37.3	169.6	-75.3	-62.4	-66.8	0	0	111.8	W402 L405 F445 I451 L452	W402-M449 WeakPolarHBondContact CZ3-O 3.44Å; L405-M449 HydrophobicContact CD2-CB 4.35Å; F445-M449 HydrophobicContact CD2-CG 4.46Å; F445-M449 HydrophobicContact CE1-CG 4.11Å; F445-M449 HydrophobicContact CE2-CG 4.03Å; F445-M449 HydrophobicContact CE2-SD 4.48Å; F445-M449 HydrophobicContact CZ-CG 3.85Å; F445-M449 HydrophobicContact CZ-SD 4.39Å; F445-M449 WeakPolarHBondContact O-CB 3.29Å; F445-M449 WeakPolarHBondContact O-CG 3.34Å; F445-M449 PolarHBondContact O-N 3.1Å; M449-I451 PolarHBondContact O-N 3.37Å; M449-L452 HydrophobicContact CE-CD1 3.82Å; M449-L452 VanDerWaalsContact O-CB 3.3Å; M449-L452 WeakPolarHBondContact O-CB 3.44Å; M449-L452 PolarHBondContact O-N 2.88Å; M449-L452 HydrophobicContact SD-CD1 4.03Å
450	G	90.6	Very high	89.4	Confident	6 Å²	6	54 Å²	54	6%	0.062	27%	0.268	C	S	.	.	H	α-helix	trans	-60.5	-24.4	174.6	0	0	0	0	0	114.3	L446 V447 W448 L452 R453	L446-G450 PolarHBondContact O-N 2.64Å; V447-G450 WeakPolarHBondContact O-CA 3.24Å; V447-G450 PolarHBondContact O-N 3.28Å; W448-G450 PolarHBondContact O-N 2.94Å; G450-L452 PolarHBondContact O-N 3.45Å; G450-R453 WeakPolarHBondContact O-CB 3.33Å; G450-R453 PolarHBondContact O-N 2.94Å
451	I	90.6	Very high	88.8	Confident	33 Å²	33	59.6 Å²	59.6	17%	0.169	29%	0.289	C	S	.	.	H	α-helix	trans	-65	-30.7	177.3	-57.6	175	0	0	0	111.2	V85 V447 W448 M449 R453 Y454 F455	V85-I451 HydrophobicContact CG1-CD1 3.73Å; V85-I451 HydrophobicContact CG2-CD1 4.1Å; V85-I451 HydrophobicContact CG2-CG1 4.07Å; V447-I451 PolarHBondContact O-N 3.41Å; W448-I451 HydrophobicContact CD2-CD1 3.89Å; W448-I451 HydrophobicContact CE3-CD1 3.46Å; W448-I451 VanDerWaalsContact CE3-CD1 3.46Å; W448-I451 HydrophobicContact CG-CD1 4.44Å; W448-I451 HydrophobicContact CZ3-CD1 3.81Å; W448-I451 VanDerWaalsContact O-CB 3.28Å; W448-I451 WeakPolarHBondContact O-CB 3.33Å; W448-I451 PolarHBondContact O-N 2.77Å; M449-I451 PolarHBondContact O-N 3.37Å; I451-R453 PolarHBondContact O-N 3.17Å; I451-Y454 WeakPolarHBondContact O-CB 3.47Å; I451-Y454 PolarHBondContact O-N 2.78Å; I451-F455 HydrophobicContact CG2-CD2 4.14Å; I451-F455 HydrophobicContact CG2-CE2 3.76Å; I451-F455 PolarHBondContact O-N 3.22Å
452	L	88.6	Confident	88.2	Confident	67 Å²	67	59.4 Å²	59.4	35%	0.351	28%	0.282	S	S	.	.	H	α-helix	trans	-54.4	-27.4	175.6	-65.8	175.1	0	0	0	112.8	W402 M449 G450 Y454 F455 G456 I465	W402-L452 HydrophobicContact CH2-CB 3.61Å; W402-L452 HydrophobicContact CZ3-CB 4.07Å; M449-L452 HydrophobicContact CE-CD1 3.82Å; M449-L452 VanDerWaalsContact O-CB 3.3Å; M449-L452 WeakPolarHBondContact O-CB 3.44Å; M449-L452 PolarHBondContact O-N 2.88Å; M449-L452 HydrophobicContact SD-CD1 4.03Å; G450-L452 PolarHBondContact O-N 3.45Å; L452-Y454 VanDerWaalsContact C-N 3.27Å; L452-Y454 PolarHBondContact O-N 3.24Å; L452-F455 HydrophobicContact CD2-CD2 4.46Å; L452-F455 PolarHBondContact O-N 3.18Å; L452-G456 PolarHBondContact O-N 2.8Å; L452-I465 HydrophobicContact CB-CD1 4.33Å; L452-I465 VanDerWaalsContact O-CD1 3.25Å; L452-I465 WeakPolarHBondContact O-CD1 3.26Å
453	R	87.9	Confident	87.7	Confident	22 Å²	22	57 Å²	57	8%	0.083	27%	0.266	C	S	.	.	H	α-helix	trans	-56.6	-41.5	172.3	-170.4	-175.2	97.2	158	7.4	112.7	W402 G450 I451 G456	W402-R453 HydrophobicContact CB-CB 4.35Å; W402-R453 VanDerWaalsContact CB-CD 3.41Å; W402-R453 HydrophobicContact CB-CG 3.89Å; W402-R453 HydrophobicContact CD2-CB 3.65Å; W402-R453 HydrophobicContact CD2-CG 3.88Å; W402-R453 HydrophobicContact CE3-CB 3.8Å; W402-R453 HydrophobicContact CE3-CG 4.48Å; W402-R453 HydrophobicContact CG-CB 3.91Å; W402-R453 HydrophobicContact CG-CG 3.59Å; W402-R453 HydrophobicContact CZ3-CB 4.35Å; G450-R453 WeakPolarHBondContact O-CB 3.33Å; G450-R453 PolarHBondContact O-N 2.94Å; I451-R453 PolarHBondContact O-N 3.17Å; R453-G456 PolarHBondContact O-N 3.31Å
454	Y	85.2	Confident	87.2	Confident	38 Å²	38	62.2 Å²	62.2	15%	0.149	29%	0.293	C	S	.	.	H	α-helix	trans	-77.9	-30.5	-175.6	-55.1	-64.1	0	0	0	111.5	L78 Q81 I451 L452 G456 F457	L78-Y454 HydrophobicContact CD1-CD1 3.37Å; L78-Y454 HydrophobicContact CD1-CE1 3.15Å; L78-Y454 HydrophobicContact CD1-CG 4.17Å; Q81-Y454 WeakPolarHBondContact CB-OH 3.46Å; Q81-Y454 VanDerWaalsContact CG-OH 3.26Å; Q81-Y454 WeakPolarHBondContact CG-OH 3.5Å; I451-Y454 WeakPolarHBondContact O-CB 3.47Å; I451-Y454 PolarHBondContact O-N 2.78Å; L452-Y454 VanDerWaalsContact C-N 3.27Å; L452-Y454 PolarHBondContact O-N 3.24Å; Y454-G456 PolarHBondContact O-N 3.37Å; Y454-F457 AromaticContact CD1-CE2 3.59Å; Y454-F457 HydrophobicContact CD1-CE2 3.59Å; Y454-F457 AromaticContact CD1-CZ 3.52Å; Y454-F457 HydrophobicContact CD1-CZ 3.52Å; Y454-F457 HydrophobicContact CE1-CZ 4.26Å; Y454-F457 HydrophobicContact CG-CE2 4.34Å; Y454-F457 HydrophobicContact CG-CZ 4.47Å; Y454-F457 WeakPolarHBondContact O-CB 3.15Å; Y454-F457 VanDerWaalsContact O-CD2 3.24Å; Y454-F457 WeakPolarHBondContact O-CD2 3.3Å; Y454-F457 VanDerWaalsContact O-CG 3.24Å; Y454-F457 WeakPolarHBondContact O-CG 3.43Å; Y454-F457 PolarHBondContact O-N 2.77Å
455	F	84.4	Confident	86.7	Confident	89 Å²	89	64 Å²	64	39%	0.39	30%	0.301	S	S	.	.	H	α-helix	trans	-63	-31.9	168	-74.8	-73.2	0	0	0	112.3	I451 L452 F457 F458 Y461	I451-F455 HydrophobicContact CG2-CD2 4.14Å; I451-F455 HydrophobicContact CG2-CE2 3.76Å; I451-F455 PolarHBondContact O-N 3.22Å; L452-F455 HydrophobicContact CD2-CD2 4.46Å; L452-F455 PolarHBondContact O-N 3.18Å; F455-F457 PolarHBondContact O-N 3.43Å; F455-F458 PolarHBondContact O-N 3.28Å; F455-F458 VanDerWaalsContact O-N 3.08Å; F455-Y461 WeakPolarHBondContact O-CB 3.22Å
456	G	79.3	Confident	86.1	Confident	5 Å²	5	59.1 Å²	59.1	5%	0.052	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-1.8	174.1	0	0	0	0	0	115.6	R7 L452 R453 Y454	R7-G456 PolarHBondContact NH1-O 2.65Å; L452-G456 PolarHBondContact O-N 2.8Å; R453-G456 PolarHBondContact O-N 3.31Å; Y454-G456 PolarHBondContact O-N 3.37Å
457	F	80.5	Confident	85.8	Confident	36 Å²	36	58.1 Å²	58.1	16%	0.158	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-28.8	170.3	-59.5	-19.8	0	0	0	112.2	N63 P64 I65 Y454 F455	N63-F457 HydrophobicContact CB-CD1 4.19Å; P64-F457 HydrophobicContact CB-CZ 4.25Å; P64-F457 VanDerWaalsContact CD-CE1 3.4Å; P64-F457 VanDerWaalsContact CD-CZ 3.42Å; P64-F457 HydrophobicContact CG-CE1 4.05Å; P64-F457 HydrophobicContact CG-CE2 4.4Å; P64-F457 HydrophobicContact CG-CZ 3.59Å; I65-F457 HydrophobicContact CD1-CB 4.44Å; I65-F457 HydrophobicContact CD1-CD2 3.61Å; I65-F457 HydrophobicContact CD1-CE2 4.27Å; I65-F457 HydrophobicContact CD1-CG 4.37Å; I65-F457 HydrophobicContact CG1-CD2 4.06Å; I65-F457 HydrophobicContact CG1-CE2 4.31Å; Y454-F457 AromaticContact CD1-CE2 3.59Å; Y454-F457 HydrophobicContact CD1-CE2 3.59Å; Y454-F457 AromaticContact CD1-CZ 3.52Å; Y454-F457 HydrophobicContact CD1-CZ 3.52Å; Y454-F457 HydrophobicContact CE1-CZ 4.26Å; Y454-F457 HydrophobicContact CG-CE2 4.34Å; Y454-F457 HydrophobicContact CG-CZ 4.47Å; Y454-F457 WeakPolarHBondContact O-CB 3.15Å; Y454-F457 VanDerWaalsContact O-CD2 3.24Å; Y454-F457 WeakPolarHBondContact O-CD2 3.3Å; Y454-F457 VanDerWaalsContact O-CG 3.24Å; Y454-F457 WeakPolarHBondContact O-CG 3.43Å; Y454-F457 PolarHBondContact O-N 2.77Å; F455-F457 PolarHBondContact O-N 3.43Å
458	F	82	Confident	85.5	Confident	123 Å²	123	63.1 Å²	63.1	54%	0.539	30%	0.303	S	S	.	.	S	Bend	trans	-85.2	132.1	175.7	-61.5	-77	0	0	0	109.7	F455 Q460 Y461 N462	F455-F458 PolarHBondContact O-N 3.28Å; F455-F458 VanDerWaalsContact O-N 3.08Å; F458-Q460 VanDerWaalsContact C-N 3.31Å; F458-Q460 PolarHBondContact O-N 2.86Å; F458-Y461 HydrophobicContact CB-CD2 3.65Å; F458-Y461 HydrophobicContact CB-CE2 4.41Å; F458-Y461 HydrophobicContact CD2-CD2 4.23Å; F458-Y461 HydrophobicContact CG-CD2 4.17Å; F458-Y461 PolarHBondContact O-N 3.16Å; F458-N462 VanDerWaalsContact O-CB 3.3Å; F458-N462 WeakPolarHBondContact O-CB 3.25Å; F458-N462 PolarHBondContact O-N 2.81Å
459	S	74	Confident	85.2	Confident	70 Å²	70	63.7 Å²	63.7	49%	0.49	31%	0.309	S	S	.	.	H	α-helix	trans	-58	-41.3	-176.4	51.5	0	0	0	0	112.8	N462 L463	S459-N462 PolarHBondContact O-N 2.69Å; S459-L463 PolarHBondContact O-N 2.95Å
460	Q	80.2	Confident	84.9	Confident	154 Å²	154	65.4 Å²	65.4	72%	0.72	31%	0.311	S	S	*	.	H	α-helix	trans	-63.9	-49	-179.6	-66.1	177.7	-19.5	0	0	112.6	F458 L463	F458-Q460 VanDerWaalsContact C-N 3.31Å; F458-Q460 PolarHBondContact O-N 2.86Å; Q460-L463 VanDerWaalsContact O-CB 3.25Å; Q460-L463 WeakPolarHBondContact O-CB 3.46Å; Q460-L463 PolarHBondContact O-N 3.44Å
461	Y	83.2	Confident	85	Confident	117 Å²	117	65.2 Å²	65.2	46%	0.459	31%	0.309	S	S	.	.	H	α-helix	trans	-72.5	-30.9	179.2	-63.8	-79.7	0	0	0	112.7	F455 F458 L463 I464 I465	F455-Y461 WeakPolarHBondContact O-CB 3.22Å; F458-Y461 HydrophobicContact CB-CD2 3.65Å; F458-Y461 HydrophobicContact CB-CE2 4.41Å; F458-Y461 HydrophobicContact CD2-CD2 4.23Å; F458-Y461 HydrophobicContact CG-CD2 4.17Å; F458-Y461 PolarHBondContact O-N 3.16Å; Y461-L463 PolarHBondContact O-N 2.83Å; Y461-I464 PolarHBondContact O-N 2.71Å; Y461-I465 PolarHBondContact O-N 2.76Å
462	N	82.6	Confident	85	Confident	25 Å²	25	67.9 Å²	67.9	13%	0.134	32%	0.322	C	S	.	.	H	α-helix	trans	-63.2	-26	175.4	-174.6	51.3	0	0	0	112.3	S4 F458 S459 L466	S4-N462 WeakPolarHBondContact CB-ND2 3.44Å; F458-N462 VanDerWaalsContact O-CB 3.3Å; F458-N462 WeakPolarHBondContact O-CB 3.25Å; F458-N462 PolarHBondContact O-N 2.81Å; S459-N462 PolarHBondContact O-N 2.69Å; N462-L466 VanDerWaalsContact O-CB 3.22Å; N462-L466 WeakPolarHBondContact O-CB 3.44Å; N462-L466 PolarHBondContact O-N 2.84Å
463	L	85.2	Confident	85.1	Confident	27 Å²	27	67.3 Å²	67.3	14%	0.141	32%	0.323	C	S	.	.	H	α-helix	trans	-58.1	-49.8	173.3	-173.2	69	0	0	0	111	S459 Q460 Y461 I465 L466 T467 Y568 I571	S459-L463 PolarHBondContact O-N 2.95Å; Q460-L463 VanDerWaalsContact O-CB 3.25Å; Q460-L463 WeakPolarHBondContact O-CB 3.46Å; Q460-L463 PolarHBondContact O-N 3.44Å; Y461-L463 PolarHBondContact O-N 2.83Å; L463-I465 PolarHBondContact O-N 2.83Å; L463-L466 PolarHBondContact O-N 2.87Å; L463-T467 PolarHBondContact O-N 2.94Å; L463-T467 PolarHBondContact O-OG1 3.34Å; L463-Y568 HydrophobicContact CD2-CE2 3.75Å; L463-Y568 HydrophobicContact CG-CE2 4.23Å; L463-I571 HydrophobicContact CD1-CB 4.48Å; L463-I571 HydrophobicContact CD1-CG2 3.52Å
464	I	86.3	Confident	85.4	Confident	110 Å²	110	68.8 Å²	68.8	56%	0.564	33%	0.332	S	S	*	.	H	α-helix	trans	-61.1	-47.5	-177.7	-56.9	174.2	0	0	0	111.3	Y461 L466 T467 L468	Y461-I464 PolarHBondContact O-N 2.71Å; I464-L466 VanDerWaalsContact C-N 3.31Å; I464-L466 PolarHBondContact O-N 2.81Å; I464-T467 WeakPolarHBondContact O-CB 3.14Å; I464-T467 PolarHBondContact O-N 3.43Å; I464-L468 PolarHBondContact O-N 3.46Å
465	I	84.9	Confident	85.8	Confident	42 Å²	42	67.9 Å²	67.9	22%	0.215	33%	0.331	C	S	.	.	H	α-helix	trans	-65	-38.4	179.6	-62.3	174.1	0	0	0	110.7	W402 L452 Y461 L463 L468 K469	W402-I465 HydrophobicContact CZ2-CG2 4.16Å; L452-I465 HydrophobicContact CB-CD1 4.33Å; L452-I465 VanDerWaalsContact O-CD1 3.25Å; L452-I465 WeakPolarHBondContact O-CD1 3.26Å; Y461-I465 PolarHBondContact O-N 2.76Å; L463-I465 PolarHBondContact O-N 2.83Å; I465-L468 PolarHBondContact O-N 3.25Å; I465-K469 PolarHBondContact O-N 2.86Å
466	L	84.3	Confident	86.2	Confident	29 Å²	29	67.4 Å²	67.4	15%	0.152	34%	0.335	C	S	.	.	H	α-helix	trans	-67.4	-39.6	177.5	-174.8	58.5	0	0	0	111.3	N462 L463 I464 K469 R470 I571	N462-L466 VanDerWaalsContact O-CB 3.22Å; N462-L466 WeakPolarHBondContact O-CB 3.44Å; N462-L466 PolarHBondContact O-N 2.84Å; L463-L466 PolarHBondContact O-N 2.87Å; I464-L466 VanDerWaalsContact C-N 3.31Å; I464-L466 PolarHBondContact O-N 2.81Å; L466-K469 PolarHBondContact O-N 2.85Å; L466-R470 WeakPolarHBondContact O-CB 3.23Å; L466-R470 PolarHBondContact O-N 2.91Å; L466-I571 VanDerWaalsContact C-CD1 3.46Å; L466-I571 HydrophobicContact CB-CD1 4.43Å; L466-I571 HydrophobicContact CB-CG2 4.38Å; L466-I571 HydrophobicContact CD2-CG2 3.69Å; L466-I571 HydrophobicContact CG-CD1 3.9Å; L466-I571 HydrophobicContact CG-CG1 4.45Å; L466-I571 HydrophobicContact CG-CG2 3.97Å; L466-I571 VanDerWaalsContact O-CD1 3.31Å; L466-I571 WeakPolarHBondContact O-CD1 3.01Å
467	T	89.6	Confident	87	Confident	9 Å²	9	75.2 Å²	75.2	6%	0.055	36%	0.362	C	S	.	.	H	α-helix	trans	-57.2	-49.3	172.6	-61.8	0	0	0	0	111.2	L463 I464 K469 R470 S471 A567 Y568	L463-T467 PolarHBondContact O-N 2.94Å; L463-T467 PolarHBondContact O-OG1 3.34Å; I464-T467 WeakPolarHBondContact O-CB 3.14Å; I464-T467 PolarHBondContact O-N 3.43Å; T467-K469 PolarHBondContact O-N 2.88Å; T467-R470 PolarHBondContact O-N 2.91Å; T467-S471 WeakPolarHBondContact O-CB 3.21Å; T467-S471 PolarHBondContact O-N 2.96Å; T467-S471 PolarHBondContact O-OG 2.97Å; T467-A567 HydrophobicContact CG2-CB 4.37Å; T467-Y568 HydrophobicContact CG2-CD2 4.26Å
468	L	89.2	Confident	87.6	Confident	109 Å²	109	75.5 Å²	75.5	57%	0.571	36%	0.364	S	S	*	.	H	α-helix	trans	-60.5	-45.2	176.4	-172.4	65.5	0	0	0	111.8	I464 I465 R470 S471 I472	I464-L468 PolarHBondContact O-N 3.46Å; I465-L468 PolarHBondContact O-N 3.25Å; L468-R470 VanDerWaalsContact C-N 3.28Å; L468-R470 PolarHBondContact O-N 2.94Å; L468-S471 PolarHBondContact O-N 2.92Å; L468-S471 PolarHBondContact O-OG 2.82Å; L468-S471 VanDerWaalsContact O-OG 3.06Å; L468-I472 VanDerWaalsContact O-CG1 3.23Å; L468-I472 WeakPolarHBondContact O-CG1 3.43Å; L468-I472 PolarHBondContact O-N 2.86Å; L468-I472 VanDerWaalsContact O-N 3.14Å
469	K	87.3	Confident	88.2	Confident	147 Å²	147	74 Å²	74	64%	0.639	36%	0.36	S	S	*	.	H	α-helix	trans	-62.6	-35.9	179	-176.1	171.4	-180	169.9	0	112.6	I465 L466 T467	I465-K469 PolarHBondContact O-N 2.86Å; L466-K469 PolarHBondContact O-N 2.85Å; T467-K469 PolarHBondContact O-N 2.88Å
470	R	87.2	Confident	89.2	Confident	116 Å²	116	76.1 Å²	76.1	44%	0.438	37%	0.365	S	S	.	.	H	α-helix	trans	-76.6	-36.1	-179.8	-179.4	65.5	173.7	126	-2.3	112.1	L466 T467 L468 P473 A567 I571	L466-R470 WeakPolarHBondContact O-CB 3.23Å; L466-R470 PolarHBondContact O-N 2.91Å; T467-R470 PolarHBondContact O-N 2.91Å; L468-R470 VanDerWaalsContact C-N 3.28Å; L468-R470 PolarHBondContact O-N 2.94Å; R470-P473 WeakPolarHBondContact O-CD 3.2Å; R470-P473 WeakPolarHBondContact O-CG 3.36Å; R470-A567 HydrophobicContact CG-CB 4.44Å; R470-I571 HydrophobicContact CB-CD1 3.38Å; R470-I571 HydrophobicContact CB-CG1 4.35Å; R470-I571 HydrophobicContact CG-CD1 3.78Å; R470-I571 HydrophobicContact CG-CG1 4.27Å
471	S	92.3	Very high	89.8	Confident	2 Å²	2	72.7 Å²	72.7	1%	0.014	36%	0.357	C	S	.	.	H	α-helix	trans	-73.9	-35.2	-179.2	67.1	0	0	0	0	112.7	T467 L468 N474 V475	T467-S471 WeakPolarHBondContact O-CB 3.21Å; T467-S471 PolarHBondContact O-N 2.96Å; T467-S471 PolarHBondContact O-OG 2.97Å; L468-S471 PolarHBondContact O-N 2.92Å; L468-S471 PolarHBondContact O-OG 2.82Å; L468-S471 VanDerWaalsContact O-OG 3.06Å; S471-N474 PolarHBondContact O-N 3.16Å; S471-V475 WeakPolarHBondContact O-CB 3.27Å; S471-V475 WeakPolarHBondContact O-CG2 3.26Å; S471-V475 PolarHBondContact O-N 2.92Å
472	I	91	Very high	90.4	Very high	89 Å²	89	67.5 Å²	67.5	46%	0.456	34%	0.339	S	S	.	.	H	α-helix	trans	-41.9	-54.8	-178.8	-76.4	163.5	0	0	0	114.5	L468 N474 V475 V476	L468-I472 VanDerWaalsContact O-CG1 3.23Å; L468-I472 WeakPolarHBondContact O-CG1 3.43Å; L468-I472 PolarHBondContact O-N 2.86Å; L468-I472 VanDerWaalsContact O-N 3.14Å; I472-N474 VanDerWaalsContact C-N 3.34Å; I472-N474 PolarHBondContact O-N 2.94Å; I472-V475 PolarHBondContact O-N 3.07Å; I472-V476 HydrophobicContact CG2-CG2 4.23Å; I472-V476 WeakPolarHBondContact O-CB 3.22Å; I472-V476 VanDerWaalsContact O-CG2 3.24Å; I472-V476 WeakPolarHBondContact O-CG2 3.36Å; I472-V476 PolarHBondContact O-N 3.41Å
473	P	91.5	Very high	91	Very high	55 Å²	55	68.3 Å²	68.3	36%	0.357	35%	0.348	S	S	.	.	H	α-helix	trans	-64	-35.7	-177.6	23.8	-35	0	0	0	113.7	R470 R477	R470-P473 WeakPolarHBondContact O-CD 3.2Å; R470-P473 WeakPolarHBondContact O-CG 3.36Å; P473-R477 WeakPolarHBondContact O-CG 3.47Å; P473-R477 PolarHBondContact O-N 2.78Å
474	N	92.6	Very high	91.5	Very high	52 Å²	52	72.9 Å²	72.9	28%	0.278	37%	0.372	S	S	.	.	H	α-helix	trans	-72.6	-43.8	177.3	-69.9	-10.2	0	0	0	110.4	S471 I472 V476 R477 F478 I563	S471-N474 PolarHBondContact O-N 3.16Å; I472-N474 VanDerWaalsContact C-N 3.34Å; I472-N474 PolarHBondContact O-N 2.94Å; N474-V476 PolarHBondContact O-N 3.07Å; N474-R477 PolarHBondContact O-N 3.15Å; N474-F478 PolarHBondContact O-N 3.27Å; N474-I563 HydrophobicContact CB-CG2 3.83Å
475	V	94.2	Very high	92	Very high	20 Å²	20	71.5 Å²	71.5	12%	0.121	37%	0.365	C	S	.	.	H	α-helix	trans	-59.8	-46	175.9	169.1	0	0	0	0	111.1	S471 I472 R477 F478 M479 F560 I563 I564	S471-V475 WeakPolarHBondContact O-CB 3.27Å; S471-V475 WeakPolarHBondContact O-CG2 3.26Å; S471-V475 PolarHBondContact O-N 2.92Å; I472-V475 PolarHBondContact O-N 3.07Å; V475-R477 VanDerWaalsContact C-N 3.34Å; V475-R477 PolarHBondContact O-N 3.5Å; V475-F478 PolarHBondContact O-N 3.33Å; V475-M479 HydrophobicContact CG1-CG 3.95Å; V475-M479 VanDerWaalsContact O-CB 3.3Å; V475-M479 WeakPolarHBondContact O-CB 3.45Å; V475-M479 WeakPolarHBondContact O-CG 3.39Å; V475-M479 PolarHBondContact O-N 3.12Å; V475-F560 HydrophobicContact CB-CE2 4.46Å; V475-F560 HydrophobicContact CG1-CD2 4.13Å; V475-F560 HydrophobicContact CG1-CE2 3.32Å; V475-F560 HydrophobicContact CG1-CZ 3.93Å; V475-F560 HydrophobicContact CG2-CE2 4.38Å; V475-I563 HydrophobicContact CG2-CG2 3.87Å; V475-I564 HydrophobicContact CG2-CG1 4.29Å
476	V	93.7	Very high	92.5	Very high	78 Å²	78	71.2 Å²	71.2	47%	0.473	36%	0.362	S	S	.	.	H	α-helix	trans	-61	-42.3	178.9	168	0	0	0	0	111.5	I472 N474 M479 L480	I472-V476 HydrophobicContact CG2-CG2 4.23Å; I472-V476 WeakPolarHBondContact O-CB 3.22Å; I472-V476 VanDerWaalsContact O-CG2 3.24Å; I472-V476 WeakPolarHBondContact O-CG2 3.36Å; I472-V476 PolarHBondContact O-N 3.41Å; N474-V476 PolarHBondContact O-N 3.07Å; V476-M479 PolarHBondContact O-N 3.09Å; V476-L480 HydrophobicContact CG1-CD1 4.41Å; V476-L480 WeakPolarHBondContact O-CG 3.49Å; V476-L480 PolarHBondContact O-N 2.84Å
477	R	94.7	Very high	93.1	Very high	169 Å²	169	73.6 Å²	73.6	64%	0.638	37%	0.374	S	S	*	.	H	α-helix	trans	-62.5	-45	176	-71.2	171.4	-176.8	159.7	-2.2	111.9	P473 N474 V475 L480 C481	P473-R477 WeakPolarHBondContact O-CG 3.47Å; P473-R477 PolarHBondContact O-N 2.78Å; N474-R477 PolarHBondContact O-N 3.15Å; V475-R477 VanDerWaalsContact C-N 3.34Å; V475-R477 PolarHBondContact O-N 3.5Å; R477-L480 PolarHBondContact O-N 2.85Å; R477-C481 PolarHBondContact O-N 3.36Å
478	F	94.6	Very high	93.5	Very high	42 Å²	42	76.1 Å²	76.1	18%	0.184	40%	0.395	C	S	.	.	H	α-helix	trans	-63.7	-44.5	176.6	176.4	-101.9	0	0	0	111.9	N474 V475 L480 C481 A482 V556 L559 F560 I563	N474-F478 PolarHBondContact O-N 3.27Å; V475-F478 PolarHBondContact O-N 3.33Å; F478-L480 VanDerWaalsContact C-N 3.29Å; F478-L480 PolarHBondContact O-N 3.16Å; F478-C481 PolarHBondContact O-N 3.46Å; F478-C481 VanDerWaalsContact O-N 3.14Å; F478-A482 PolarHBondContact O-N 3.43Å; F478-V556 HydrophobicContact CE1-CG1 3.89Å; F478-V556 HydrophobicContact CZ-CG1 3.79Å; F478-V556 WeakPolarHBondContact CZ-O 3.31Å; F478-L559 HydrophobicContact CE2-CB 3.84Å; F478-L559 HydrophobicContact CE2-CD1 3.97Å; F478-L559 HydrophobicContact CZ-CB 3.65Å; F478-L559 HydrophobicContact CZ-CD1 4.26Å; F478-F560 HydrophobicContact CD1-CD2 4.27Å; F478-F560 HydrophobicContact CE1-CB 4.04Å; F478-F560 HydrophobicContact CE1-CD2 4.42Å; F478-I563 HydrophobicContact CB-CD1 3.7Å; F478-I563 HydrophobicContact CD1-CD1 4.06Å; F478-I563 HydrophobicContact CD2-CD1 3.93Å; F478-I563 HydrophobicContact CG-CD1 3.61Å
479	M	93.1	Very high	93.8	Very high	92 Å²	92	72.5 Å²	72.5	45%	0.453	38%	0.375	S	S	.	.	H	α-helix	trans	-61.6	-34.3	178.1	-75.9	-61.9	-64.4	0	0	112.5	V475 V476 A482 A483 F560	V475-M479 HydrophobicContact CG1-CG 3.95Å; V475-M479 VanDerWaalsContact O-CB 3.3Å; V475-M479 WeakPolarHBondContact O-CB 3.45Å; V475-M479 WeakPolarHBondContact O-CG 3.39Å; V475-M479 PolarHBondContact O-N 3.12Å; V476-M479 PolarHBondContact O-N 3.09Å; M479-A482 PolarHBondContact O-N 3.25Å; M479-A483 WeakPolarHBondContact O-CB 3.39Å; M479-A483 PolarHBondContact O-N 3.43Å; M479-F560 HydrophobicContact CG-CE2 4.24Å; M479-F560 HydrophobicContact SD-CD2 4.09Å; M479-F560 HydrophobicContact SD-CE2 3.97Å
480	L	94.6	Very high	94.3	Very high	114 Å²	114	66 Å²	66	60%	0.597	35%	0.347	S	S	*	.	H	α-helix	trans	-62.5	-43.8	174	-74.4	168	0	0	0	111.8	V476 R477 F478 A483 I484	V476-L480 HydrophobicContact CG1-CD1 4.41Å; V476-L480 WeakPolarHBondContact O-CG 3.49Å; V476-L480 PolarHBondContact O-N 2.84Å; R477-L480 PolarHBondContact O-N 2.85Å; F478-L480 VanDerWaalsContact C-N 3.29Å; F478-L480 PolarHBondContact O-N 3.16Å; L480-A483 PolarHBondContact O-N 3.15Å; L480-I484 WeakPolarHBondContact O-CG1 3.43Å; L480-I484 PolarHBondContact O-N 2.88Å
481	C	94.1	Very high	94.8	Very high	82 Å²	82	65 Å²	65	55%	0.554	35%	0.347	S	S	*	.	H	α-helix	trans	-66.2	-44.4	175.5	-62	0	0	0	0	111.7	R477 F478 A483 I484 L485	R477-C481 PolarHBondContact O-N 3.36Å; F478-C481 PolarHBondContact O-N 3.46Å; F478-C481 VanDerWaalsContact O-N 3.14Å; C481-A483 VanDerWaalsContact C-N 3.3Å; C481-A483 PolarHBondContact O-N 3.47Å; C481-I484 PolarHBondContact O-N 2.89Å; C481-L485 PolarHBondContact O-N 3.5Å
482	A	95	Very high	95	Very high	9 Å²	9	67.4 Å²	67.4	7%	0.074	36%	0.362	C	S	.	.	H	α-helix	trans	-63.9	-35.3	177.4	0	0	0	0	0	112.2	F478 M479 L485 Y486 V556	F478-A482 PolarHBondContact O-N 3.43Å; M479-A482 PolarHBondContact O-N 3.25Å; A482-L485 PolarHBondContact O-N 3.47Å; A482-Y486 WeakPolarHBondContact O-CB 3.23Å; A482-Y486 PolarHBondContact O-N 3.12Å; A482-V556 HydrophobicContact CB-CG1 3.94Å
483	A	95.4	Very high	95.1	Very high	41 Å²	41	63.1 Å²	63.1	34%	0.339	34%	0.341	S	S	.	.	H	α-helix	trans	-64.9	-37.8	176.7	0	0	0	0	0	112.1	M479 L480 C481 Y486 L487	M479-A483 WeakPolarHBondContact O-CB 3.39Å; M479-A483 PolarHBondContact O-N 3.43Å; L480-A483 PolarHBondContact O-N 3.15Å; C481-A483 VanDerWaalsContact C-N 3.3Å; C481-A483 PolarHBondContact O-N 3.47Å; A483-Y486 PolarHBondContact O-N 2.95Å; A483-L487 WeakPolarHBondContact O-CB 3.45Å; A483-L487 VanDerWaalsContact O-CG 3.27Å; A483-L487 WeakPolarHBondContact O-CG 3.46Å; A483-L487 PolarHBondContact O-N 3.33Å
484	I	96.3	Very high	95.4	Very high	123 Å²	123	65.2 Å²	65.2	63%	0.631	34%	0.341	S	S	*	.	H	α-helix	trans	-61.8	-46.1	175.2	-66.2	167	0	0	0	110.4	L480 C481 Y486 L487 A488	L480-I484 WeakPolarHBondContact O-CG1 3.43Å; L480-I484 PolarHBondContact O-N 2.88Å; C481-I484 PolarHBondContact O-N 2.89Å; I484-Y486 VanDerWaalsContact C-N 3.35Å; I484-L487 PolarHBondContact O-N 2.93Å; I484-A488 PolarHBondContact O-N 2.62Å; I484-A488 VanDerWaalsContact O-N 3.1Å
485	L	95.7	Very high	95.5	Very high	82 Å²	82	68.4 Å²	68.4	43%	0.429	36%	0.357	S	S	.	.	H	α-helix	trans	-61.3	-45.7	174.8	-68.2	175.3	0	0	0	110.9	C481 A482 L487 A488 F489 F552	C481-L485 PolarHBondContact O-N 3.5Å; A482-L485 PolarHBondContact O-N 3.47Å; L485-L487 VanDerWaalsContact C-N 3.33Å; L485-L487 PolarHBondContact O-N 3.01Å; L485-A488 WeakPolarHBondContact O-CB 3.23Å; L485-A488 PolarHBondContact O-N 3.3Å; L485-A488 VanDerWaalsContact O-N 3.14Å; L485-F489 WeakPolarHBondContact O-CD2 3.33Å; L485-F489 PolarHBondContact O-N 3.44Å; L485-F489 VanDerWaalsContact O-N 3.1Å; L485-F552 HydrophobicContact CB-CZ 3.95Å
486	Y	96.8	Very high	95.5	Very high	36 Å²	36	69.9 Å²	69.9	14%	0.141	37%	0.366	C	S	.	.	H	α-helix	trans	-60.3	-42.7	-179.9	178.7	-91.8	0	0	0	111.8	A482 A483 I484 A488 F489 L490 S511 L514 I518 F548 F552	A482-Y486 WeakPolarHBondContact O-CB 3.23Å; A482-Y486 PolarHBondContact O-N 3.12Å; A483-Y486 PolarHBondContact O-N 2.95Å; I484-Y486 VanDerWaalsContact C-N 3.35Å; Y486-A488 VanDerWaalsContact C-N 3.34Å; Y486-A488 PolarHBondContact O-N 2.46Å; Y486-F489 PolarHBondContact O-N 2.69Å; Y486-L490 HydrophobicContact CE1-CD2 4.26Å; Y486-L490 VanDerWaalsContact O-CB 3.26Å; Y486-L490 WeakPolarHBondContact O-CB 3.2Å; Y486-L490 PolarHBondContact O-N 3.01Å; Y486-S511 WeakPolarHBondContact OH-CA 3.09Å; Y486-S511 PolarHBondContact OH-O 3.05Å; Y486-S511 PolarHBondContact OH-OG 3.42Å; Y486-L514 HydrophobicContact CE2-CB 3.65Å; Y486-L514 HydrophobicContact CE2-CD1 4.38Å; Y486-I518 HydrophobicContact CD2-CD1 4.04Å; Y486-I518 HydrophobicContact CE2-CD1 3.99Å; Y486-F548 HydrophobicContact CD2-CE2 4.39Å; Y486-F548 HydrophobicContact CD2-CZ 4.47Å; Y486-F548 HydrophobicContact CE2-CZ 4.46Å; Y486-F552 HydrophobicContact CD2-CE1 4.29Å
487	L	96.8	Very high	95.5	Very high	79 Å²	79	66.1 Å²	66.1	41%	0.414	34%	0.344	S	S	.	.	H	α-helix	trans	-63.8	-37.6	176.1	-72.1	174.5	0	0	0	112.2	A483 I484 L485 L490 F491	A483-L487 WeakPolarHBondContact O-CB 3.45Å; A483-L487 VanDerWaalsContact O-CG 3.27Å; A483-L487 WeakPolarHBondContact O-CG 3.46Å; A483-L487 PolarHBondContact O-N 3.33Å; I484-L487 PolarHBondContact O-N 2.93Å; L485-L487 VanDerWaalsContact C-N 3.33Å; L485-L487 PolarHBondContact O-N 3.01Å; L487-L490 HydrophobicContact CD2-CD2 3.91Å; L487-L490 PolarHBondContact O-N 2.69Å; L487-F491 HydrophobicContact CB-CD2 4.47Å; L487-F491 HydrophobicContact CB-CE2 4.23Å; L487-F491 HydrophobicContact CD2-CE2 4.4Å; L487-F491 WeakPolarHBondContact O-CD2 3.34Å; L487-F491 PolarHBondContact O-N 3.11Å
488	A	96.6	Very high	95.4	Very high	61 Å²	61	58.6 Å²	58.6	50%	0.504	32%	0.319	S	S	.	.	H	α-helix	trans	-62.3	-45.4	175.8	0	0	0	0	0	111.7	I484 L485 Y486 C492	I484-A488 PolarHBondContact O-N 2.62Å; I484-A488 VanDerWaalsContact O-N 3.1Å; L485-A488 WeakPolarHBondContact O-CB 3.23Å; L485-A488 PolarHBondContact O-N 3.3Å; L485-A488 VanDerWaalsContact O-N 3.14Å; Y486-A488 VanDerWaalsContact C-N 3.34Å; Y486-A488 PolarHBondContact O-N 2.46Å; A488-C492 VanDerWaalsContact O-CB 3.23Å; A488-C492 WeakPolarHBondContact O-CB 3.39Å; A488-C492 PolarHBondContact O-N 2.67Å; A488-C492 VanDerWaalsContact O-N 3.17Å
489	F	96.7	Very high	95.2	Very high	34 Å²	34	61.5 Å²	61.5	15%	0.149	34%	0.342	C	S	.	.	H	α-helix	trans	-63.6	-47.2	172.6	-81.6	-84.9	0	0	0	111.1	L485 Y486 F491 C492 G493 Y544 I547 F548 L551 F552	L485-F489 WeakPolarHBondContact O-CD2 3.33Å; L485-F489 PolarHBondContact O-N 3.44Å; L485-F489 VanDerWaalsContact O-N 3.1Å; Y486-F489 PolarHBondContact O-N 2.69Å; F489-F491 PolarHBondContact O-N 3.18Å; F489-C492 PolarHBondContact O-N 2.98Å; F489-G493 PolarHBondContact O-N 3.31Å; F489-Y544 HydrophobicContact CB-CE2 4.37Å; F489-Y544 WeakPolarHBondContact CB-OH 3.19Å; F489-Y544 HydrophobicContact CD1-CD2 4.09Å; F489-Y544 AromaticContact CD1-CE2 3.49Å; F489-Y544 HydrophobicContact CD1-CE2 3.49Å; F489-Y544 VanDerWaalsContact CD1-CE2 3.49Å; F489-Y544 AromaticContact CD1-CZ 3.74Å; F489-Y544 HydrophobicContact CE1-CD2 4.44Å; F489-Y544 HydrophobicContact CE1-CE2 4.26Å; F489-Y544 HydrophobicContact CG-CE2 4.37Å; F489-Y544 PolarHBondContact O-OH 2.66Å; F489-I547 HydrophobicContact CE1-CG2 4.14Å; F489-I547 HydrophobicContact CZ-CG2 3.85Å; F489-F548 HydrophobicContact CB-CD2 3.9Å; F489-F548 HydrophobicContact CB-CE2 4.16Å; F489-F548 HydrophobicContact CD1-CB 4.01Å; F489-F548 AromaticContact CD1-CD2 3.73Å; F489-F548 HydrophobicContact CD1-CD2 3.73Å; F489-F548 HydrophobicContact CD1-CG 4.32Å; F489-F548 HydrophobicContact CD2-CD2 4.18Å; F489-F548 HydrophobicContact CE1-CB 4.02Å; F489-F548 HydrophobicContact CE1-CD2 4.33Å; F489-F548 AromaticContact CG-CD2 3.67Å; F489-F548 HydrophobicContact CG-CD2 3.67Å; F489-F548 HydrophobicContact CG-CE2 4.33Å; F489-L551 HydrophobicContact CE2-CD2 3.93Å; F489-L551 HydrophobicContact CZ-CD2 4.26Å; F489-F552 AromaticContact CD2-CE2 3.8Å; F489-F552 HydrophobicContact CD2-CE2 3.8Å; F489-F552 HydrophobicContact CE2-CE2 4.06Å
490	L	97.1	Very high	95.2	Very high	9 Å²	9	60.1 Å²	60.1	5%	0.047	33%	0.332	C	S	.	.	H	α-helix	trans	-52.9	-52.3	179.5	177.2	62.4	0	0	0	112.9	Y486 L487 W494 L507 T510 L514	Y486-L490 HydrophobicContact CE1-CD2 4.26Å; Y486-L490 VanDerWaalsContact O-CB 3.26Å; Y486-L490 WeakPolarHBondContact O-CB 3.2Å; Y486-L490 PolarHBondContact O-N 3.01Å; L487-L490 HydrophobicContact CD2-CD2 3.91Å; L487-L490 PolarHBondContact O-N 2.69Å; L490-W494 VanDerWaalsContact O-CB 3.25Å; L490-W494 WeakPolarHBondContact O-CB 3.23Å; L490-W494 PolarHBondContact O-N 3.37Å; L490-L507 HydrophobicContact CD1-CD1 3.89Å; L490-L507 HydrophobicContact CD2-CD1 3.77Å; L490-L507 HydrophobicContact CD2-CG 4.34Å; L490-L507 HydrophobicContact CG-CD1 3.6Å; L490-T510 HydrophobicContact CD1-CG2 3.53Å; L490-L514 HydrophobicContact CB-CD1 4.08Å; L490-L514 HydrophobicContact CD1-CD1 4.17Å
491	F	97.2	Very high	94.9	Very high	97 Å²	97	54.9 Å²	54.9	43%	0.425	30%	0.304	S	S	.	.	H	α-helix	trans	-67.9	-40.3	179.8	-69.1	-58.1	0	0	0	112.3	L487 F489 W494 I495 L507	L487-F491 HydrophobicContact CB-CD2 4.47Å; L487-F491 HydrophobicContact CB-CE2 4.23Å; L487-F491 HydrophobicContact CD2-CE2 4.4Å; L487-F491 WeakPolarHBondContact O-CD2 3.34Å; L487-F491 PolarHBondContact O-N 3.11Å; F489-F491 PolarHBondContact O-N 3.18Å; F491-W494 HydrophobicContact CD1-CE3 4.3Å; F491-I495 WeakPolarHBondContact O-CG1 3.36Å; F491-I495 PolarHBondContact O-N 2.85Å; F491-I495 VanDerWaalsContact O-N 3.15Å; F491-L507 HydrophobicContact CD1-CD1 4.14Å; F491-L507 HydrophobicContact CE1-CD1 4.05Å; F491-L507 HydrophobicContact CE1-CD2 4.49Å
492	C	96.2	Very high	94.6	Very high	51 Å²	51	54.6 Å²	54.6	35%	0.345	30%	0.296	S	S	.	.	H	α-helix	trans	-63.5	-48.9	177.4	-176.9	0	0	0	0	111.7	A488 F489 I495 V496 Y544	A488-C492 VanDerWaalsContact O-CB 3.23Å; A488-C492 WeakPolarHBondContact O-CB 3.39Å; A488-C492 PolarHBondContact O-N 2.67Å; A488-C492 VanDerWaalsContact O-N 3.17Å; F489-C492 PolarHBondContact O-N 2.98Å; C492-I495 PolarHBondContact O-N 2.85Å; C492-V496 WeakPolarHBondContact O-CB 3.26Å; C492-V496 WeakPolarHBondContact O-CG2 3.46Å; C492-V496 PolarHBondContact O-N 3.48Å; C492-Y544 HydrophobicContact CB-CE2 4.28Å
493	G	95	Very high	94.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.9	-43.4	177.5	0	0	0	0	0	112.2	F489 I495 I497 G498	F489-G493 PolarHBondContact O-N 3.31Å; G493-I495 PolarHBondContact O-N 3.41Å; G493-I497 WeakPolarHBondContact O-CA 3.4Å; G493-I497 VanDerWaalsContact O-CB 3.23Å; G493-I497 WeakPolarHBondContact O-CB 3.17Å; G493-I497 PolarHBondContact O-N 3.37Å; G493-G498 PolarHBondContact O-N 3.47Å
494	W	96.4	Very high	94.3	Very high	98 Å²	98	52.6 Å²	52.6	37%	0.371	28%	0.278	S	S	.	.	H	α-helix	trans	-59.5	-48.8	178.7	177	32.2	0	0	0	112.1	L490 F491 G498 F504 L507 T510	L490-W494 VanDerWaalsContact O-CB 3.25Å; L490-W494 WeakPolarHBondContact O-CB 3.23Å; L490-W494 PolarHBondContact O-N 3.37Å; F491-W494 HydrophobicContact CD1-CE3 4.3Å; W494-G498 VanDerWaalsContact O-CA 3.26Å; W494-G498 WeakPolarHBondContact O-CA 3.15Å; W494-G498 PolarHBondContact O-N 3.11Å; W494-G498 VanDerWaalsContact O-N 3.16Å; W494-F504 VanDerWaalsContact CD1-O 3.29Å; W494-L507 HydrophobicContact CD2-CB 4.32Å; W494-L507 HydrophobicContact CD2-CD1 4.17Å; W494-L507 HydrophobicContact CE3-CB 4.41Å; W494-L507 HydrophobicContact CE3-CD1 3.77Å; W494-L507 HydrophobicContact CZ3-CD1 4.34Å; W494-T510 HydrophobicContact CB-CG2 4.48Å
495	I	95.4	Very high	94	Very high	119 Å²	119	56.4 Å²	56.4	61%	0.61	28%	0.284	S	S	*	.	H	α-helix	trans	-75.7	-43.5	-174.4	-64.4	170.4	0	0	0	111.6	F491 C492 G493	F491-I495 WeakPolarHBondContact O-CG1 3.36Å; F491-I495 PolarHBondContact O-N 2.85Å; F491-I495 VanDerWaalsContact O-N 3.15Å; C492-I495 PolarHBondContact O-N 2.85Å; G493-I495 PolarHBondContact O-N 3.41Å
496	V	93.7	Very high	93.9	Very high	51 Å²	51	54.5 Å²	54.5	31%	0.309	28%	0.278	S	S	.	.	H	α-helix	trans	-82.6	-43.5	-173.2	-178.1	0	0	0	0	112	C492 F540	C492-V496 WeakPolarHBondContact O-CB 3.26Å; C492-V496 WeakPolarHBondContact O-CG2 3.46Å; C492-V496 PolarHBondContact O-N 3.48Å; V496-F540 HydrophobicContact CB-CD1 4.34Å; V496-F540 HydrophobicContact CB-CE1 3.86Å; V496-F540 HydrophobicContact CG1-CD1 3.48Å; V496-F540 VanDerWaalsContact CG1-CD1 3.48Å; V496-F540 HydrophobicContact CG1-CE1 3.48Å; V496-F540 VanDerWaalsContact CG1-CE1 3.48Å; V496-F540 HydrophobicContact CG1-CG 4.25Å; V496-F540 HydrophobicContact CG1-CZ 4.23Å; V496-F540 HydrophobicContact CG2-CE1 4.28Å; V496-F540 HydrophobicContact CG2-CZ 4.45Å
497	I	93.7	Very high	93.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-93.1	-27.4	-173	-51.3	171.2	0	0	0	110.9	G493 Y500 N501 F504 T541 Y544	G493-I497 WeakPolarHBondContact O-CA 3.4Å; G493-I497 VanDerWaalsContact O-CB 3.23Å; G493-I497 WeakPolarHBondContact O-CB 3.17Å; G493-I497 PolarHBondContact O-N 3.37Å; I497-Y500 CarbonylContact O-C 3.51Å; I497-Y500 PolarHBondContact O-N 3Å; I497-N501 HydrophobicContact CG2-CB 3.66Å; I497-N501 PolarHBondContact O-N 3.37Å; I497-F504 HydrophobicContact CB-CB 4.21Å; I497-F504 HydrophobicContact CB-CD1 4.2Å; I497-F504 HydrophobicContact CB-CD2 4.37Å; I497-F504 HydrophobicContact CB-CG 4.01Å; I497-F504 HydrophobicContact CD1-CD1 4.47Å; I497-F504 HydrophobicContact CD1-CE1 4.26Å; I497-F504 HydrophobicContact CD1-CZ 4.43Å; I497-F504 HydrophobicContact CG2-CB 4.24Å; I497-F504 HydrophobicContact CG2-CD1 4.46Å; I497-F504 HydrophobicContact CG2-CD2 3.77Å; I497-F504 HydrophobicContact CG2-CE2 4.27Å; I497-F504 HydrophobicContact CG2-CG 3.9Å; I497-T541 HydrophobicContact CD1-CG2 4.12Å; I497-T541 HydrophobicContact CG1-CG2 4.44Å; I497-T541 HydrophobicContact CG2-CG2 4.07Å; I497-Y544 HydrophobicContact CD1-CD1 3.47Å; I497-Y544 VanDerWaalsContact CD1-CD1 3.47Å; I497-Y544 HydrophobicContact CD1-CD2 4.48Å; I497-Y544 HydrophobicContact CD1-CE1 3.77Å; I497-Y544 HydrophobicContact CD1-CG 3.9Å
498	G	92.6	Very high	93.7	Very high	11 Å²	11	57.8 Å²	57.8	11%	0.113	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-42.2	-174	0	0	0	0	0	116.9	G493 W494 Y500 F504	G493-G498 PolarHBondContact O-N 3.47Å; W494-G498 VanDerWaalsContact O-CA 3.26Å; W494-G498 WeakPolarHBondContact O-CA 3.15Å; W494-G498 PolarHBondContact O-N 3.11Å; W494-G498 VanDerWaalsContact O-N 3.16Å; G498-Y500 VanDerWaalsContact C-N 3.26Å; G498-Y500 PolarHBondContact O-N 2.8Å; G498-F504 WeakPolarHBondContact CA-O 3.26Å
499	P	91.5	Very high	93.6	Very high	103 Å²	103	58 Å²	58	67%	0.669	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-22.2	175.9	-23	34.9	0	0	0	114.5
500	Y	91.6	Very high	93.5	Very high	63 Å²	63	56.4 Å²	56.4	25%	0.247	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-9	-171.3	-55.9	-83.7	0	0	0	113.8	I497 G498 S531 N534 V537	I497-Y500 CarbonylContact O-C 3.51Å; I497-Y500 PolarHBondContact O-N 3Å; G498-Y500 VanDerWaalsContact C-N 3.26Å; G498-Y500 PolarHBondContact O-N 2.8Å; Y500-S531 WeakPolarHBondContact O-CB 3.24Å; Y500-S531 PolarHBondContact O-N 3.34Å; Y500-S531 VanDerWaalsContact O-N 3.1Å; Y500-N534 HydrophobicContact CE1-CB 4.31Å; Y500-N534 VanDerWaalsContact CE1-ND2 3.31Å; Y500-N534 WeakPolarHBondContact CE1-ND2 3.36Å; Y500-N534 PolarHBondContact OH-ND2 3.2Å; Y500-V537 HydrophobicContact CD2-CB 4.41Å; Y500-V537 HydrophobicContact CD2-CG1 3.57Å; Y500-V537 HydrophobicContact CD2-CG2 4.4Å; Y500-V537 HydrophobicContact CE2-CB 4.39Å; Y500-V537 HydrophobicContact CE2-CG1 3.92Å; Y500-V537 HydrophobicContact CE2-CG2 3.89Å; Y500-V537 HydrophobicContact CG-CG1 3.95Å
501	N	89.8	Confident	93.5	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.021	29%	0.293	C	S	.	.			trans	-139.1	129	179	-165.8	-45.6	0	0	0	111.2	I497 K503 F504 T526 T529 T530	I497-N501 HydrophobicContact CG2-CB 3.66Å; I497-N501 PolarHBondContact O-N 3.37Å; N501-K503 VanDerWaalsContact C-N 3.26Å; N501-K503 PolarHBondContact O-N 3.19Å; N501-K503 WeakPolarHBondContact OD1-CB 3.36Å; N501-K503 PolarHBondContact OD1-N 3.18Å; N501-F504 HydrophobicContact CB-CD2 4.07Å; N501-F504 PolarHBondContact O-N 3.27Å; N501-F504 VanDerWaalsContact O-N 3.12Å; N501-T526 PolarHBondContact ND2-O 3.28Å; N501-T529 PolarHBondContact ND2-OG1 3.1Å; N501-T529 VanDerWaalsContact ND2-OG1 3.13Å; N501-T529 PolarHBondContact OD1-OG1 3.05Å; N501-T530 PolarHBondContact ND2-OG1 2.77Å
502	M	86.8	Confident	93.3	Very high	75 Å²	75	58.4 Å²	58.4	37%	0.369	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-62.2	-27.4	179.2	60	-178.9	159.4	0	0	114.2	P131 F504 T529	P131-M502 HydrophobicContact CB-CE 3.54Å; P131-M502 HydrophobicContact CB-SD 4.31Å; P131-M502 HydrophobicContact CG-CE 4.45Å; M502-F504 PolarHBondContact O-N 3.39Å; M502-T529 HydrophobicContact CE-CG2 3.3Å
503	K	90.2	Very high	93.2	Very high	8 Å²	8	56.5 Å²	56.5	4%	0.035	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-70.2	-16.8	176.9	-72.5	-174.7	172.1	-164	0	113.5	Y130 N501 I509 T510 C513 D522 T526	Y130-K503 HydrophobicContact CE1-CD 4.5Å; Y130-K503 VanDerWaalsContact CE1-CE 3.47Å; Y130-K503 HydrophobicContact CE1-CG 4.2Å; Y130-K503 WeakPolarHBondContact OH-CG 3.37Å; N501-K503 VanDerWaalsContact C-N 3.26Å; N501-K503 PolarHBondContact O-N 3.19Å; N501-K503 WeakPolarHBondContact OD1-CB 3.36Å; N501-K503 PolarHBondContact OD1-N 3.18Å; K503-I509 CarbonylContact O-C 3.59Å; K503-I509 WeakPolarHBondContact O-CG2 3.39Å; K503-T510 PolarHBondContact O-N 2.95Å; K503-C513 HydrophobicContact CB-CB 4.13Å; K503-D522 WeakPolarHBondContact CE-OD2 3.32Å; K503-D522 VanDerWaalsContact NZ-CG 3.26Å; K503-D522 PolarHBondContact NZ-O 3.37Å; K503-D522 VanDerWaalsContact NZ-O 3.1Å; K503-D522 IonicContact NZ-OD2 3.27Å; K503-D522 PolarHBondContact NZ-OD2 2.89Å; K503-T526 HydrophobicContact CD-CG2 4.1Å; K503-T526 WeakPolarHBondContact CD-OG1 3.49Å; K503-T526 PolarHBondContact NZ-OG1 2.94Å
504	F	93.1	Very high	93.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-111.5	11.2	-175.5	-70.7	-98.6	0	0	0	112.7	W494 I497 G498 N501 M502 S506 T510 L514 T526 Y544 L545	W494-F504 VanDerWaalsContact CD1-O 3.29Å; I497-F504 HydrophobicContact CB-CB 4.21Å; I497-F504 HydrophobicContact CB-CD1 4.2Å; I497-F504 HydrophobicContact CB-CD2 4.37Å; I497-F504 HydrophobicContact CB-CG 4.01Å; I497-F504 HydrophobicContact CD1-CD1 4.47Å; I497-F504 HydrophobicContact CD1-CE1 4.26Å; I497-F504 HydrophobicContact CD1-CZ 4.43Å; I497-F504 HydrophobicContact CG2-CB 4.24Å; I497-F504 HydrophobicContact CG2-CD1 4.46Å; I497-F504 HydrophobicContact CG2-CD2 3.77Å; I497-F504 HydrophobicContact CG2-CE2 4.27Å; I497-F504 HydrophobicContact CG2-CG 3.9Å; G498-F504 WeakPolarHBondContact CA-O 3.26Å; N501-F504 HydrophobicContact CB-CD2 4.07Å; N501-F504 PolarHBondContact O-N 3.27Å; N501-F504 VanDerWaalsContact O-N 3.12Å; M502-F504 PolarHBondContact O-N 3.39Å; F504-S506 PolarHBondContact O-N 3.17Å; F504-T510 VanDerWaalsContact CA-OG1 3.26Å; F504-T510 WeakPolarHBondContact CA-OG1 3.26Å; F504-T510 HydrophobicContact CD1-CG2 3.34Å; F504-T510 HydrophobicContact CE1-CG2 3.65Å; F504-T510 HydrophobicContact CG-CG2 4.27Å; F504-T510 PolarHBondContact O-OG1 3.1Å; F504-L514 HydrophobicContact CE1-CD2 4.21Å; F504-L514 HydrophobicContact CZ-CD2 4.33Å; F504-T526 HydrophobicContact CE2-CG2 3.88Å; F504-Y544 HydrophobicContact CE1-CE1 4.31Å; F504-Y544 HydrophobicContact CZ-CE1 4.5Å; F504-L545 HydrophobicContact CZ-CD2 4.36Å
505	R	90.1	Very high	93.2	Very high	203 Å²	203	58 Å²	58	77%	0.766	29%	0.293	S	S	*	.	S	Bend	trans	-69	-32.7	-169.7	-170.8	174	179.2	167.5	0.6	114.2
506	S	93.4	Very high	93.2	Very high	43 Å²	43	53.4 Å²	53.4	30%	0.301	27%	0.273	S	S	.	.	S	Bend	trans	-129.5	153.4	177	76.6	0	0	0	0	110.3	F504 L508 I509 T510	F504-S506 PolarHBondContact O-N 3.17Å; S506-L508 PolarHBondContact O-N 2.95Å; S506-I509 PolarHBondContact O-N 2.77Å; S506-I509 WeakPolarHBondContact OG-CD1 3.44Å; S506-I509 VanDerWaalsContact OG-CG1 3.26Å; S506-I509 WeakPolarHBondContact OG-CG1 3.38Å; S506-I509 PolarHBondContact OG-N 2.7Å; S506-T510 WeakPolarHBondContact O-CB 3.23Å; S506-T510 PolarHBondContact O-N 2.89Å; S506-T510 PolarHBondContact O-OG1 2.85Å
507	L	95.1	Very high	93.2	Very high	65 Å²	65	51 Å²	51	34%	0.34	26%	0.258	S	S	.	.	H	α-helix	trans	-55.3	-38.9	-179.8	-172.4	69.9	0	0	0	112.6	L490 F491 W494 S511	L490-L507 HydrophobicContact CD1-CD1 3.89Å; L490-L507 HydrophobicContact CD2-CD1 3.77Å; L490-L507 HydrophobicContact CD2-CG 4.34Å; L490-L507 HydrophobicContact CG-CD1 3.6Å; F491-L507 HydrophobicContact CD1-CD1 4.14Å; F491-L507 HydrophobicContact CE1-CD1 4.05Å; F491-L507 HydrophobicContact CE1-CD2 4.49Å; W494-L507 HydrophobicContact CD2-CB 4.32Å; W494-L507 HydrophobicContact CD2-CD1 4.17Å; W494-L507 HydrophobicContact CE3-CB 4.41Å; W494-L507 HydrophobicContact CE3-CD1 3.77Å; W494-L507 HydrophobicContact CZ3-CD1 4.34Å; L507-S511 PolarHBondContact O-N 2.9Å
508	L	95.4	Very high	93.3	Very high	119 Å²	119	52.1 Å²	52.1	62%	0.623	26%	0.264	S	S	*	.	H	α-helix	trans	-68.7	-49	-179.4	-176.5	64.7	0	0	0	111.7	S506 T510 S511 E512	S506-L508 PolarHBondContact O-N 2.95Å; L508-T510 VanDerWaalsContact C-N 3.28Å; L508-T510 PolarHBondContact O-N 2.82Å; L508-S511 WeakPolarHBondContact O-CA 3.3Å; L508-S511 WeakPolarHBondContact O-CB 3.32Å; L508-S511 PolarHBondContact O-N 2.99Å; L508-E512 WeakPolarHBondContact O-CG 3.47Å; L508-E512 PolarHBondContact O-N 3.08Å
509	I	93.6	Very high	93.4	Very high	65 Å²	65	56.4 Å²	56.4	33%	0.333	28%	0.284	S	S	.	.	H	α-helix	trans	-64.3	-37.2	177.7	-58.7	170.3	0	0	0	110.2	K503 S506 S511 E512 C513	K503-I509 CarbonylContact O-C 3.59Å; K503-I509 WeakPolarHBondContact O-CG2 3.39Å; S506-I509 PolarHBondContact O-N 2.77Å; S506-I509 WeakPolarHBondContact OG-CD1 3.44Å; S506-I509 VanDerWaalsContact OG-CG1 3.26Å; S506-I509 WeakPolarHBondContact OG-CG1 3.38Å; S506-I509 PolarHBondContact OG-N 2.7Å; I509-S511 VanDerWaalsContact C-N 3.3Å; I509-S511 PolarHBondContact O-N 3.22Å; I509-E512 PolarHBondContact O-N 2.8Å; I509-C513 WeakPolarHBondContact O-CB 3.25Å; I509-C513 PolarHBondContact O-N 3.47Å
510	T	95.3	Very high	93.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.7	-41.9	173	-55.7	0	0	0	0	111.1	L490 W494 K503 F504 S506 L508 C513 L514	L490-T510 HydrophobicContact CD1-CG2 3.53Å; W494-T510 HydrophobicContact CB-CG2 4.48Å; K503-T510 PolarHBondContact O-N 2.95Å; F504-T510 VanDerWaalsContact CA-OG1 3.26Å; F504-T510 WeakPolarHBondContact CA-OG1 3.26Å; F504-T510 HydrophobicContact CD1-CG2 3.34Å; F504-T510 HydrophobicContact CE1-CG2 3.65Å; F504-T510 HydrophobicContact CG-CG2 4.27Å; F504-T510 PolarHBondContact O-OG1 3.1Å; S506-T510 WeakPolarHBondContact O-CB 3.23Å; S506-T510 PolarHBondContact O-N 2.89Å; S506-T510 PolarHBondContact O-OG1 2.85Å; L508-T510 VanDerWaalsContact C-N 3.28Å; L508-T510 PolarHBondContact O-N 2.82Å; T510-C513 PolarHBondContact O-N 3.35Å; T510-L514 HydrophobicContact CG2-CD1 4.17Å; T510-L514 HydrophobicContact CG2-CG 4.34Å; T510-L514 WeakPolarHBondContact O-CB 3.14Å; T510-L514 WeakPolarHBondContact O-CG 3.45Å; T510-L514 PolarHBondContact O-N 2.8Å
511	S	96.2	Very high	93.6	Very high	38 Å²	38	55.2 Å²	55.2	27%	0.266	29%	0.287	S	S	.	.	H	α-helix	trans	-65	-44	177	-173.4	0	0	0	0	111.6	Y486 L507 L508 I509 C513 L514 F515	Y486-S511 WeakPolarHBondContact OH-CA 3.09Å; Y486-S511 PolarHBondContact OH-O 3.05Å; Y486-S511 PolarHBondContact OH-OG 3.42Å; L507-S511 PolarHBondContact O-N 2.9Å; L508-S511 WeakPolarHBondContact O-CA 3.3Å; L508-S511 WeakPolarHBondContact O-CB 3.32Å; L508-S511 PolarHBondContact O-N 2.99Å; I509-S511 VanDerWaalsContact C-N 3.3Å; I509-S511 PolarHBondContact O-N 3.22Å; S511-C513 PolarHBondContact O-N 2.9Å; S511-L514 PolarHBondContact O-N 3.04Å; S511-F515 VanDerWaalsContact O-CB 3.29Å; S511-F515 WeakPolarHBondContact O-CB 3.47Å; S511-F515 PolarHBondContact O-N 3.24Å
512	E	94.5	Very high	93.5	Very high	111 Å²	111	58 Å²	58	52%	0.519	30%	0.302	S	S	.	.	H	α-helix	trans	-59.6	-44.9	174.4	-69	168.1	177.9	0	0	111.3	L508 I509 F515 A516	L508-E512 WeakPolarHBondContact O-CG 3.47Å; L508-E512 PolarHBondContact O-N 3.08Å; I509-E512 PolarHBondContact O-N 2.8Å; E512-F515 PolarHBondContact O-N 3.03Å; E512-A516 WeakPolarHBondContact O-CB 3.46Å; E512-A516 PolarHBondContact O-N 3.39Å
513	C	94.2	Very high	93.7	Very high	11 Å²	11	57.5 Å²	57.5	7%	0.074	30%	0.299	C	S	.	.	H	α-helix	trans	-61.9	-48.9	176.4	179.2	0	0	0	0	112	K503 I509 T510 S511 F515 A516 L517	K503-C513 HydrophobicContact CB-CB 4.13Å; I509-C513 WeakPolarHBondContact O-CB 3.25Å; I509-C513 PolarHBondContact O-N 3.47Å; T510-C513 PolarHBondContact O-N 3.35Å; S511-C513 PolarHBondContact O-N 2.9Å; C513-F515 VanDerWaalsContact C-N 3.3Å; C513-F515 PolarHBondContact O-N 3.1Å; C513-A516 PolarHBondContact O-N 3.26Å; C513-L517 WeakPolarHBondContact O-CB 3.14Å; C513-L517 VanDerWaalsContact O-CG 3.26Å; C513-L517 WeakPolarHBondContact O-CG 3.14Å; C513-L517 PolarHBondContact O-N 3.26Å
514	L	95.7	Very high	93.7	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-64.8	-37	179.1	-70	179	0	0	0	111.1	Y486 L490 F504 T510 S511 L517 I518 Y544 F548	Y486-L514 HydrophobicContact CE2-CB 3.65Å; Y486-L514 HydrophobicContact CE2-CD1 4.38Å; L490-L514 HydrophobicContact CB-CD1 4.08Å; L490-L514 HydrophobicContact CD1-CD1 4.17Å; F504-L514 HydrophobicContact CE1-CD2 4.21Å; F504-L514 HydrophobicContact CZ-CD2 4.33Å; T510-L514 HydrophobicContact CG2-CD1 4.17Å; T510-L514 HydrophobicContact CG2-CG 4.34Å; T510-L514 WeakPolarHBondContact O-CB 3.14Å; T510-L514 WeakPolarHBondContact O-CG 3.45Å; T510-L514 PolarHBondContact O-N 2.8Å; S511-L514 PolarHBondContact O-N 3.04Å; L514-L517 HydrophobicContact CD2-CD1 4.34Å; L514-L517 PolarHBondContact O-N 3.24Å; L514-I518 VanDerWaalsContact O-CG1 3.27Å; L514-I518 WeakPolarHBondContact O-CG1 3.32Å; L514-I518 PolarHBondContact O-N 2.62Å; L514-I518 VanDerWaalsContact O-N 3.08Å; L514-Y544 HydrophobicContact CD2-CE1 4.29Å; L514-F548 HydrophobicContact CB-CE1 4.18Å; L514-F548 HydrophobicContact CB-CE2 4.4Å; L514-F548 HydrophobicContact CB-CZ 3.73Å; L514-F548 HydrophobicContact CD1-CE2 4.48Å; L514-F548 HydrophobicContact CD2-CD1 3.96Å; L514-F548 HydrophobicContact CD2-CD2 4.21Å; L514-F548 HydrophobicContact CD2-CE1 3.72Å; L514-F548 HydrophobicContact CD2-CE2 3.97Å; L514-F548 HydrophobicContact CD2-CG 4.2Å; L514-F548 HydrophobicContact CD2-CZ 3.72Å; L514-F548 HydrophobicContact CG-CZ 4.19Å; L514-F548 WeakPolarHBondContact O-CE1 3.38Å
515	F	95.2	Very high	93.4	Very high	129 Å²	129	66 Å²	66	57%	0.566	34%	0.34	S	S	*	.	H	α-helix	trans	-67.9	-40.2	175.5	-175.6	-103.6	0	0	0	112.4	S511 E512 C513 I518 N519	S511-F515 VanDerWaalsContact O-CB 3.29Å; S511-F515 WeakPolarHBondContact O-CB 3.47Å; S511-F515 PolarHBondContact O-N 3.24Å; E512-F515 PolarHBondContact O-N 3.03Å; C513-F515 VanDerWaalsContact C-N 3.3Å; C513-F515 PolarHBondContact O-N 3.1Å; F515-I518 PolarHBondContact O-N 3.1Å; F515-N519 PolarHBondContact O-N 3.13Å; F515-N519 PolarHBondContact O-ND2 3.34Å
516	A	94.9	Very high	93.5	Very high	22 Å²	22	56.4 Å²	56.4	18%	0.182	30%	0.304	C	S	.	.	H	α-helix	trans	-60	-45.8	172.3	0	0	0	0	0	111.3	E512 C513 I518 N519 G520 D521	E512-A516 WeakPolarHBondContact O-CB 3.46Å; E512-A516 PolarHBondContact O-N 3.39Å; C513-A516 PolarHBondContact O-N 3.26Å; A516-I518 PolarHBondContact O-N 2.98Å; A516-N519 CarbonylContact O-C 3.48Å; A516-N519 PolarHBondContact O-N 3.5Å; A516-N519 VanDerWaalsContact O-N 3.09Å; A516-G520 PolarHBondContact O-N 3.15Å; A516-G520 VanDerWaalsContact O-N 3.15Å; A516-D521 HydrophobicContact CB-CB 4.15Å; A516-D521 PolarHBondContact O-N 3.38Å
517	L	95.1	Very high	93.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.8	-37.9	178	-73.6	174	0	0	0	113.4	C513 L514 N519 G520 M523 T526 L545 F548	C513-L517 WeakPolarHBondContact O-CB 3.14Å; C513-L517 VanDerWaalsContact O-CG 3.26Å; C513-L517 WeakPolarHBondContact O-CG 3.14Å; C513-L517 PolarHBondContact O-N 3.26Å; L514-L517 HydrophobicContact CD2-CD1 4.34Å; L514-L517 PolarHBondContact O-N 3.24Å; L517-N519 PolarHBondContact O-N 3.25Å; L517-G520 PolarHBondContact O-N 2.9Å; L517-G520 VanDerWaalsContact O-N 3.09Å; L517-M523 HydrophobicContact CD2-CB 4.22Å; L517-M523 HydrophobicContact CD2-CG 3.9Å; L517-T526 HydrophobicContact CD1-CG2 4.35Å; L517-L545 HydrophobicContact CD1-CD2 3.77Å; L517-F548 HydrophobicContact CB-CD1 4.38Å; L517-F548 HydrophobicContact CB-CE1 3.93Å; L517-F548 HydrophobicContact CD1-CD1 4.44Å; L517-F548 HydrophobicContact CD1-CE1 4.48Å
518	I	95.4	Very high	93	Very high	25 Å²	25	57.1 Å²	57.1	13%	0.128	31%	0.308	C	S	.	.	H	α-helix	trans	-58.3	-38.5	175.5	-68.7	168.3	0	0	0	110.7	Y486 L514 F515 A516 G520 F548 F552 T553	Y486-I518 HydrophobicContact CD2-CD1 4.04Å; Y486-I518 HydrophobicContact CE2-CD1 3.99Å; L514-I518 VanDerWaalsContact O-CG1 3.27Å; L514-I518 WeakPolarHBondContact O-CG1 3.32Å; L514-I518 PolarHBondContact O-N 2.62Å; L514-I518 VanDerWaalsContact O-N 3.08Å; F515-I518 PolarHBondContact O-N 3.1Å; A516-I518 PolarHBondContact O-N 2.98Å; I518-G520 VanDerWaalsContact C-N 3.32Å; I518-F548 HydrophobicContact CD1-CZ 3.94Å; I518-F548 HydrophobicContact CG1-CE1 3.93Å; I518-F548 HydrophobicContact CG1-CZ 3.67Å; I518-F552 HydrophobicContact CD1-CB 4.42Å; I518-F552 HydrophobicContact CD1-CD1 3.83Å; I518-F552 HydrophobicContact CD1-CE1 4.5Å; I518-F552 HydrophobicContact CD1-CG 4.32Å; I518-F552 HydrophobicContact CG1-CB 3.88Å; I518-F552 HydrophobicContact CG1-CD1 4.23Å; I518-F552 HydrophobicContact CG1-CG 4.26Å; I518-T553 PolarHBondContact O-OG1 3.48Å
519	N	94.4	Very high	92.6	Very high	100 Å²	100	53.1 Å²	53.1	54%	0.535	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	2.6	-179.8	-64.7	-68.7	0	0	0	113.6	F515 A516 L517	F515-N519 PolarHBondContact O-N 3.13Å; F515-N519 PolarHBondContact O-ND2 3.34Å; A516-N519 CarbonylContact O-C 3.48Å; A516-N519 PolarHBondContact O-N 3.5Å; A516-N519 VanDerWaalsContact O-N 3.09Å; L517-N519 PolarHBondContact O-N 3.25Å
520	G	92.7	Very high	92	Very high	42 Å²	42	50.6 Å²	50.6	43%	0.433	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	16	178.8	0	0	0	0	0	114.7	A516 L517 I518	A516-G520 PolarHBondContact O-N 3.15Å; A516-G520 VanDerWaalsContact O-N 3.15Å; L517-G520 PolarHBondContact O-N 2.9Å; L517-G520 VanDerWaalsContact O-N 3.09Å; I518-G520 VanDerWaalsContact C-N 3.32Å
521	D	93.7	Very high	91.3	Very high	100 Å²	100	52.2 Å²	52.2	54%	0.535	29%	0.288	S	S	.	.			trans	-87.8	140.9	176.7	-169.8	18.8	0	0	0	110.9	A516 M523	A516-D521 HydrophobicContact CB-CB 4.15Å; A516-D521 PolarHBondContact O-N 3.38Å; D521-M523 PolarHBondContact O-N 3.22Å; D521-M523 VanDerWaalsContact O-N 3.07Å
522	D	87.5	Confident	90.5	Very high	62 Å²	62	56.3 Å²	56.3	33%	0.332	31%	0.307	S	S	.	.	S	Bend	trans	58.7	28.3	166.5	-125.7	20.9	0	0	0	115.5	K503 T526	K503-D522 WeakPolarHBondContact CE-OD2 3.32Å; K503-D522 VanDerWaalsContact NZ-CG 3.26Å; K503-D522 PolarHBondContact NZ-O 3.37Å; K503-D522 VanDerWaalsContact NZ-O 3.1Å; K503-D522 IonicContact NZ-OD2 3.27Å; K503-D522 PolarHBondContact NZ-OD2 2.89Å; D522-T526 PolarHBondContact O-N 2.95Å; D522-T526 PolarHBondContact O-OG1 3.38Å
523	M	91	Very high	90	Very high	65 Å²	65	58.3 Å²	58.3	32%	0.32	32%	0.316	S	S	.	.	H	α-helix	trans	-63.7	-56.1	-174.8	-63.8	176.7	72.7	0	0	112.1	L517 D521 A525 T526 F527 I549	L517-M523 HydrophobicContact CD2-CB 4.22Å; L517-M523 HydrophobicContact CD2-CG 3.9Å; D521-M523 PolarHBondContact O-N 3.22Å; D521-M523 VanDerWaalsContact O-N 3.07Å; M523-A525 VanDerWaalsContact C-N 3.33Å; M523-A525 PolarHBondContact O-N 3.28Å; M523-T526 WeakPolarHBondContact O-CB 3.4Å; M523-T526 PolarHBondContact O-N 3.38Å; M523-F527 WeakPolarHBondContact O-CD2 3.47Å; M523-F527 PolarHBondContact O-N 3Å; M523-I549 HydrophobicContact CE-CB 4.5Å; M523-I549 HydrophobicContact CE-CD1 3.65Å; M523-I549 HydrophobicContact CE-CG1 4.14Å; M523-I549 HydrophobicContact CE-CG2 3.6Å
524	F	90.3	Very high	89.6	Confident	168 Å²	168	61.1 Å²	61.1	74%	0.737	33%	0.33	S	S	*	.	H	α-helix	trans	-61.8	-41.4	-177	-179.3	-104.4	0	0	0	112	T526 F527 S528	F524-T526 PolarHBondContact O-N 3.41Å; F524-F527 PolarHBondContact O-N 3.48Å; F524-F527 VanDerWaalsContact O-N 3.1Å; F524-S528 PolarHBondContact O-N 2.72Å; F524-S528 PolarHBondContact O-OG 3.35Å
525	A	88.5	Confident	89.3	Confident	19 Å²	19	67 Å²	67	16%	0.157	37%	0.366	C	S	.	.	H	α-helix	trans	-57.4	-35	175	0	0	0	0	0	111.8	M523 S528 T529	M523-A525 VanDerWaalsContact C-N 3.33Å; M523-A525 PolarHBondContact O-N 3.28Å; A525-S528 WeakPolarHBondContact CA-OG 3.44Å; A525-S528 PolarHBondContact O-OG 2.79Å; A525-T529 VanDerWaalsContact O-CB 3.27Å; A525-T529 WeakPolarHBondContact O-CB 3.35Å; A525-T529 WeakPolarHBondContact O-CG2 3.37Å; A525-T529 PolarHBondContact O-N 3.44Å; A525-T529 VanDerWaalsContact O-N 3.11Å; A525-T529 PolarHBondContact O-OG1 2.9Å
526	T	91	Very high	89.1	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.006	37%	0.37	C	S	.	.	H	α-helix	trans	-69.9	-38.1	177.8	-49	0	0	0	0	112.1	N501 K503 F504 L517 D522 M523 F524 T529 T530 L545	N501-T526 PolarHBondContact ND2-O 3.28Å; K503-T526 HydrophobicContact CD-CG2 4.1Å; K503-T526 WeakPolarHBondContact CD-OG1 3.49Å; K503-T526 PolarHBondContact NZ-OG1 2.94Å; F504-T526 HydrophobicContact CE2-CG2 3.88Å; L517-T526 HydrophobicContact CD1-CG2 4.35Å; D522-T526 PolarHBondContact O-N 2.95Å; D522-T526 PolarHBondContact O-OG1 3.38Å; M523-T526 WeakPolarHBondContact O-CB 3.4Å; M523-T526 PolarHBondContact O-N 3.38Å; F524-T526 PolarHBondContact O-N 3.41Å; T526-T529 PolarHBondContact O-OG1 3.46Å; T526-T530 PolarHBondContact O-OG1 2.85Å; T526-L545 HydrophobicContact CG2-CD1 3.97Å; T526-L545 HydrophobicContact CG2-CD2 4.06Å
527	F	90.1	Very high	88.9	Confident	50 Å²	50	64.7 Å²	64.7	22%	0.219	37%	0.368	C	S	.	.	H	α-helix	trans	-69.5	-41	175.2	-72.3	-75.6	0	0	0	112.6	M523 F524 L545 Y546 I549	M523-F527 WeakPolarHBondContact O-CD2 3.47Å; M523-F527 PolarHBondContact O-N 3Å; F524-F527 PolarHBondContact O-N 3.48Å; F524-F527 VanDerWaalsContact O-N 3.1Å; F527-L545 HydrophobicContact CD1-CB 4.38Å; F527-L545 HydrophobicContact CD1-CD1 3.67Å; F527-L545 HydrophobicContact CE1-CB 3.5Å; F527-L545 VanDerWaalsContact CE1-CB 3.5Å; F527-L545 HydrophobicContact CE1-CD1 3.65Å; F527-L545 HydrophobicContact CE1-CG 4.23Å; F527-L545 HydrophobicContact CG-CD1 4.2Å; F527-L545 HydrophobicContact CZ-CB 3.62Å; F527-L545 HydrophobicContact CZ-CD1 4.14Å; F527-Y546 HydrophobicContact CE1-CE1 4.32Å; F527-Y546 HydrophobicContact CZ-CD1 4.26Å; F527-Y546 HydrophobicContact CZ-CE1 4.12Å; F527-I549 HydrophobicContact CE2-CD1 3.87Å; F527-I549 HydrophobicContact CZ-CD1 3.8Å
528	S	88.1	Confident	88.7	Confident	72 Å²	72	65.1 Å²	65.1	50%	0.503	37%	0.371	S	S	.	.	H	α-helix	trans	-78.4	-23.9	-175.3	64.9	0	0	0	0	114.3	F524 A525 T530	F524-S528 PolarHBondContact O-N 2.72Å; F524-S528 PolarHBondContact O-OG 3.35Å; A525-S528 WeakPolarHBondContact CA-OG 3.44Å; A525-S528 PolarHBondContact O-OG 2.79Å; S528-T530 VanDerWaalsContact C-N 3.28Å; S528-T530 PolarHBondContact O-N 3.31Å
529	T	86.1	Confident	88.6	Confident	36 Å²	36	67.1 Å²	67.1	22%	0.221	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-0.3	-179	51.9	0	0	0	0	114	N501 M502 A525 T526 S531	N501-T529 PolarHBondContact ND2-OG1 3.1Å; N501-T529 VanDerWaalsContact ND2-OG1 3.13Å; N501-T529 PolarHBondContact OD1-OG1 3.05Å; M502-T529 HydrophobicContact CE-CG2 3.3Å; A525-T529 VanDerWaalsContact O-CB 3.27Å; A525-T529 WeakPolarHBondContact O-CB 3.35Å; A525-T529 WeakPolarHBondContact O-CG2 3.37Å; A525-T529 PolarHBondContact O-N 3.44Å; A525-T529 VanDerWaalsContact O-N 3.11Å; A525-T529 PolarHBondContact O-OG1 2.9Å; T526-T529 PolarHBondContact O-OG1 3.46Å; T529-S531 PolarHBondContact O-N 2.77Å
530	T	83	Confident	88.5	Confident	12 Å²	12	66.1 Å²	66.1	7%	0.074	38%	0.378	C	S	.	.	S	Bend	trans	-74.2	120.6	177	-58.2	0	0	0	0	109.4	N501 T526 S528 D532 T541	N501-T530 PolarHBondContact ND2-OG1 2.77Å; T526-T530 PolarHBondContact O-OG1 2.85Å; S528-T530 VanDerWaalsContact C-N 3.28Å; S528-T530 PolarHBondContact O-N 3.31Å; T530-D532 PolarHBondContact O-N 3.36Å; T530-T541 HydrophobicContact CG2-CG2 3.94Å; T530-T541 WeakPolarHBondContact OG1-CG2 3.48Å
531	S	80.2	Confident	88.5	Confident	34 Å²	34	64.1 Å²	64.1	24%	0.238	36%	0.357	C	S	.	.			trans	-60	130.4	177.1	178.4	0	0	0	0	111.9	Y500 T529 Q533	Y500-S531 WeakPolarHBondContact O-CB 3.24Å; Y500-S531 PolarHBondContact O-N 3.34Å; Y500-S531 VanDerWaalsContact O-N 3.1Å; T529-S531 PolarHBondContact O-N 2.77Å; S531-Q533 PolarHBondContact O-N 2.91Å; S531-Q533 VanDerWaalsContact OG-CG 3.25Å; S531-Q533 WeakPolarHBondContact OG-CG 3.45Å; S531-Q533 PolarHBondContact OG-N 3Å
532	D	79.4	Confident	88.5	Confident	124 Å²	124	65.8 Å²	65.8	66%	0.663	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	10	177.3	-71.4	-36.9	0	0	0	113.6	T530 N534	T530-D532 PolarHBondContact O-N 3.36Å; D532-N534 VanDerWaalsContact C-N 3.28Å; D532-N534 PolarHBondContact O-N 2.73Å
533	Q	82.4	Confident	88.9	Confident	152 Å²	152	67.1 Å²	67.1	71%	0.71	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-38.5	-180	-77.2	174.6	-1	0	0	113	S531	S531-Q533 PolarHBondContact O-N 2.91Å; S531-Q533 VanDerWaalsContact OG-CG 3.25Å; S531-Q533 WeakPolarHBondContact OG-CG 3.45Å; S531-Q533 PolarHBondContact OG-N 3Å
534	N	87.2	Confident	89.1	Confident	71 Å²	71	64.6 Å²	64.6	38%	0.38	35%	0.349	S	S	.	.			trans	-125.6	105.8	-178.2	-76.4	-33.4	0	0	0	110.5	Y500 D532 A536 V537 S538	Y500-N534 HydrophobicContact CE1-CB 4.31Å; Y500-N534 VanDerWaalsContact CE1-ND2 3.31Å; Y500-N534 WeakPolarHBondContact CE1-ND2 3.36Å; Y500-N534 PolarHBondContact OH-ND2 3.2Å; D532-N534 VanDerWaalsContact C-N 3.28Å; D532-N534 PolarHBondContact O-N 2.73Å; N534-A536 PolarHBondContact O-N 3.45Å; N534-V537 HydrophobicContact CB-CB 4.03Å; N534-V537 HydrophobicContact CB-CG2 3.82Å; N534-V537 PolarHBondContact O-N 3.46Å; N534-S538 PolarHBondContact O-N 3.02Å
535	V	89.4	Confident	89.3	Confident	123 Å²	123	56.6 Å²	56.6	75%	0.745	31%	0.314	S	S	*	.	H	α-helix	trans	-55.3	-39.2	-179.8	-178.8	0	0	0	0	111.9	V537 S538 C539	V535-V537 VanDerWaalsContact C-N 3.35Å; V535-V537 PolarHBondContact O-N 3.04Å; V535-S538 PolarHBondContact O-N 3.39Å; V535-C539 WeakPolarHBondContact O-CB 3.45Å; V535-C539 PolarHBondContact O-N 2.92Å
536	A	90.8	Very high	89.7	Confident	80 Å²	80	62.9 Å²	62.9	66%	0.661	34%	0.335	S	S	*	.	H	α-helix	trans	-61.2	-42.2	177.1	0	0	0	0	0	112.3	N534 F540	N534-A536 PolarHBondContact O-N 3.45Å; A536-F540 WeakPolarHBondContact O-CB 3.37Å; A536-F540 PolarHBondContact O-N 3.12Å
537	V	91.3	Very high	89.9	Confident	23 Å²	23	66.9 Å²	66.9	14%	0.139	36%	0.355	C	S	.	.	H	α-helix	trans	-72.7	-38.7	178.5	-179.4	0	0	0	0	111	Y500 N534 V535 F540 T541	Y500-V537 HydrophobicContact CD2-CB 4.41Å; Y500-V537 HydrophobicContact CD2-CG1 3.57Å; Y500-V537 HydrophobicContact CD2-CG2 4.4Å; Y500-V537 HydrophobicContact CE2-CB 4.39Å; Y500-V537 HydrophobicContact CE2-CG1 3.92Å; Y500-V537 HydrophobicContact CE2-CG2 3.89Å; Y500-V537 HydrophobicContact CG-CG1 3.95Å; N534-V537 HydrophobicContact CB-CB 4.03Å; N534-V537 HydrophobicContact CB-CG2 3.82Å; N534-V537 PolarHBondContact O-N 3.46Å; V535-V537 VanDerWaalsContact C-N 3.35Å; V535-V537 PolarHBondContact O-N 3.04Å; V537-F540 PolarHBondContact O-N 2.67Å; V537-T541 VanDerWaalsContact O-CB 3.29Å; V537-T541 WeakPolarHBondContact O-CB 3.05Å; V537-T541 PolarHBondContact O-N 3.14Å; V537-T541 PolarHBondContact O-OG1 3.08Å
538	S	90.5	Very high	90.2	Very high	9 Å²	9	64.5 Å²	64.5	6%	0.063	35%	0.345	C	S	.	.	H	α-helix	trans	-62.2	-44.1	174.5	-176.2	0	0	0	0	111.2	N534 V535 T541 R542	N534-S538 PolarHBondContact O-N 3.02Å; V535-S538 PolarHBondContact O-N 3.39Å; S538-T541 PolarHBondContact O-N 3.31Å; S538-R542 WeakPolarHBondContact O-CG 3.38Å; S538-R542 PolarHBondContact O-N 3.28Å
539	C	92.3	Very high	90.6	Very high	66 Å²	66	61.7 Å²	61.7	45%	0.446	32%	0.324	S	S	.	.	H	α-helix	trans	-61.1	-49.5	173.6	-174.3	0	0	0	0	111.7	V535 T541 R542 I543	V535-C539 WeakPolarHBondContact O-CB 3.45Å; V535-C539 PolarHBondContact O-N 2.92Å; C539-T541 VanDerWaalsContact C-N 3.31Å; C539-T541 PolarHBondContact O-N 2.94Å; C539-R542 PolarHBondContact O-N 2.97Å; C539-I543 WeakPolarHBondContact O-CG1 3.05Å; C539-I543 PolarHBondContact O-N 2.67Å
540	F	93.7	Very high	91	Very high	79 Å²	79	62.4 Å²	62.4	35%	0.346	33%	0.33	S	S	.	.	H	α-helix	trans	-56.6	-45.3	176	179.1	-90.5	0	0	0	111.7	V496 A536 V537 R542 I543 Y544	V496-F540 HydrophobicContact CB-CD1 4.34Å; V496-F540 HydrophobicContact CB-CE1 3.86Å; V496-F540 HydrophobicContact CG1-CD1 3.48Å; V496-F540 VanDerWaalsContact CG1-CD1 3.48Å; V496-F540 HydrophobicContact CG1-CE1 3.48Å; V496-F540 VanDerWaalsContact CG1-CE1 3.48Å; V496-F540 HydrophobicContact CG1-CG 4.25Å; V496-F540 HydrophobicContact CG1-CZ 4.23Å; V496-F540 HydrophobicContact CG2-CE1 4.28Å; V496-F540 HydrophobicContact CG2-CZ 4.45Å; A536-F540 WeakPolarHBondContact O-CB 3.37Å; A536-F540 PolarHBondContact O-N 3.12Å; V537-F540 PolarHBondContact O-N 2.67Å; F540-R542 PolarHBondContact O-N 3.44Å; F540-I543 PolarHBondContact O-N 3.29Å; F540-Y544 HydrophobicContact CE1-CD2 4.2Å; F540-Y544 HydrophobicContact CE1-CG 4.41Å; F540-Y544 HydrophobicContact CZ-CD2 4.37Å; F540-Y544 WeakPolarHBondContact O-CB 3.4Å; F540-Y544 PolarHBondContact O-N 3.01Å
541	T	92.7	Very high	91.6	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.006	34%	0.34	C	S	.	.	H	α-helix	trans	-62.7	-43.7	-179.4	-59.1	0	0	0	0	111.2	I497 T530 V537 S538 C539 Y544 L545	I497-T541 HydrophobicContact CD1-CG2 4.12Å; I497-T541 HydrophobicContact CG1-CG2 4.44Å; I497-T541 HydrophobicContact CG2-CG2 4.07Å; T530-T541 HydrophobicContact CG2-CG2 3.94Å; T530-T541 WeakPolarHBondContact OG1-CG2 3.48Å; V537-T541 VanDerWaalsContact O-CB 3.29Å; V537-T541 WeakPolarHBondContact O-CB 3.05Å; V537-T541 PolarHBondContact O-N 3.14Å; V537-T541 PolarHBondContact O-OG1 3.08Å; S538-T541 PolarHBondContact O-N 3.31Å; C539-T541 VanDerWaalsContact C-N 3.31Å; C539-T541 PolarHBondContact O-N 2.94Å; T541-Y544 PolarHBondContact O-N 3.42Å; T541-L545 HydrophobicContact CG2-CD1 3.88Å; T541-L545 HydrophobicContact CG2-CG 4.32Å; T541-L545 WeakPolarHBondContact O-CB 3.43Å; T541-L545 VanDerWaalsContact O-CG 3.25Å; T541-L545 WeakPolarHBondContact O-CG 3.37Å; T541-L545 PolarHBondContact O-N 3.32Å
542	R	93.3	Very high	92.3	Very high	135 Å²	135	63 Å²	63	51%	0.509	33%	0.33	S	S	.	.	H	α-helix	trans	-61.1	-49.3	175.3	-70.4	174.7	-173.5	176.2	3.9	111.3	S538 C539 F540 L545 Y546	S538-R542 WeakPolarHBondContact O-CG 3.38Å; S538-R542 PolarHBondContact O-N 3.28Å; C539-R542 PolarHBondContact O-N 2.97Å; F540-R542 PolarHBondContact O-N 3.44Å; R542-L545 PolarHBondContact O-N 3.36Å; R542-Y546 HydrophobicContact CB-CD2 4.42Å; R542-Y546 HydrophobicContact CB-CE2 4.24Å; R542-Y546 WeakPolarHBondContact O-CB 3.49Å; R542-Y546 WeakPolarHBondContact O-CD2 3.38Å; R542-Y546 PolarHBondContact O-N 3.1Å
543	I	94.9	Very high	93	Very high	90 Å²	90	58.7 Å²	58.7	46%	0.462	31%	0.308	S	S	.	.	H	α-helix	trans	-60.1	-48.2	178.1	-67	168.8	0	0	0	110.6	C539 F540 L545 Y546 I547	C539-I543 WeakPolarHBondContact O-CG1 3.05Å; C539-I543 PolarHBondContact O-N 2.67Å; F540-I543 PolarHBondContact O-N 3.29Å; I543-L545 PolarHBondContact O-N 2.94Å; I543-Y546 PolarHBondContact O-N 3.33Å; I543-I547 HydrophobicContact CG2-CD1 3.61Å; I543-I547 HydrophobicContact CG2-CG1 4.35Å; I543-I547 WeakPolarHBondContact O-CB 3.41Å; I543-I547 VanDerWaalsContact O-CG1 3.26Å; I543-I547 WeakPolarHBondContact O-CG1 3.15Å; I543-I547 PolarHBondContact O-N 3.04Å
544	Y	95.9	Very high	93.6	Very high	11 Å²	11	59.2 Å²	59.2	4%	0.043	31%	0.305	C	S	.	.	H	α-helix	trans	-55.7	-50.3	178.1	172.1	-84.3	0	0	0	111.6	F489 C492 I497 F504 L514 F540 T541 I547 F548	F489-Y544 HydrophobicContact CB-CE2 4.37Å; F489-Y544 WeakPolarHBondContact CB-OH 3.19Å; F489-Y544 HydrophobicContact CD1-CD2 4.09Å; F489-Y544 AromaticContact CD1-CE2 3.49Å; F489-Y544 HydrophobicContact CD1-CE2 3.49Å; F489-Y544 VanDerWaalsContact CD1-CE2 3.49Å; F489-Y544 AromaticContact CD1-CZ 3.74Å; F489-Y544 HydrophobicContact CE1-CD2 4.44Å; F489-Y544 HydrophobicContact CE1-CE2 4.26Å; F489-Y544 HydrophobicContact CG-CE2 4.37Å; F489-Y544 PolarHBondContact O-OH 2.66Å; C492-Y544 HydrophobicContact CB-CE2 4.28Å; I497-Y544 HydrophobicContact CD1-CD1 3.47Å; I497-Y544 VanDerWaalsContact CD1-CD1 3.47Å; I497-Y544 HydrophobicContact CD1-CD2 4.48Å; I497-Y544 HydrophobicContact CD1-CE1 3.77Å; I497-Y544 HydrophobicContact CD1-CG 3.9Å; F504-Y544 HydrophobicContact CE1-CE1 4.31Å; F504-Y544 HydrophobicContact CZ-CE1 4.5Å; L514-Y544 HydrophobicContact CD2-CE1 4.29Å; F540-Y544 HydrophobicContact CE1-CD2 4.2Å; F540-Y544 HydrophobicContact CE1-CG 4.41Å; F540-Y544 HydrophobicContact CZ-CD2 4.37Å; F540-Y544 WeakPolarHBondContact O-CB 3.4Å; F540-Y544 PolarHBondContact O-N 3.01Å; T541-Y544 PolarHBondContact O-N 3.42Å; Y544-I547 PolarHBondContact O-N 3.05Å; Y544-F548 VanDerWaalsContact O-CB 3.3Å; Y544-F548 WeakPolarHBondContact O-CB 3.36Å; Y544-F548 PolarHBondContact O-N 3.38Å
545	L	95.1	Very high	94	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-67.1	-43.2	-179.1	-70.4	173.7	0	0	0	111.6	F504 L517 T526 F527 T541 R542 I543 I547 F548 I549	F504-L545 HydrophobicContact CZ-CD2 4.36Å; L517-L545 HydrophobicContact CD1-CD2 3.77Å; T526-L545 HydrophobicContact CG2-CD1 3.97Å; T526-L545 HydrophobicContact CG2-CD2 4.06Å; F527-L545 HydrophobicContact CD1-CB 4.38Å; F527-L545 HydrophobicContact CD1-CD1 3.67Å; F527-L545 HydrophobicContact CE1-CB 3.5Å; F527-L545 VanDerWaalsContact CE1-CB 3.5Å; F527-L545 HydrophobicContact CE1-CD1 3.65Å; F527-L545 HydrophobicContact CE1-CG 4.23Å; F527-L545 HydrophobicContact CG-CD1 4.2Å; F527-L545 HydrophobicContact CZ-CB 3.62Å; F527-L545 HydrophobicContact CZ-CD1 4.14Å; T541-L545 HydrophobicContact CG2-CD1 3.88Å; T541-L545 HydrophobicContact CG2-CG 4.32Å; T541-L545 WeakPolarHBondContact O-CB 3.43Å; T541-L545 VanDerWaalsContact O-CG 3.25Å; T541-L545 WeakPolarHBondContact O-CG 3.37Å; T541-L545 PolarHBondContact O-N 3.32Å; R542-L545 PolarHBondContact O-N 3.36Å; I543-L545 PolarHBondContact O-N 2.94Å; L545-I547 PolarHBondContact O-N 2.73Å; L545-F548 PolarHBondContact O-N 3.49Å; L545-I549 HydrophobicContact CB-CD1 4.41Å; L545-I549 WeakPolarHBondContact O-CB 3.25Å; L545-I549 WeakPolarHBondContact O-CD1 3.29Å; L545-I549 VanDerWaalsContact O-CG1 3.24Å; L545-I549 WeakPolarHBondContact O-CG1 3.37Å; L545-I549 PolarHBondContact O-N 3.36Å
546	Y	95.3	Very high	94.3	Very high	151 Å²	151	54.4 Å²	54.4	59%	0.592	28%	0.278	S	S	*	.	H	α-helix	trans	-60.8	-43.9	176	-74.8	-52.9	0	0	0	112.2	F527 R542 I543 S550	F527-Y546 HydrophobicContact CE1-CE1 4.32Å; F527-Y546 HydrophobicContact CZ-CD1 4.26Å; F527-Y546 HydrophobicContact CZ-CE1 4.12Å; R542-Y546 HydrophobicContact CB-CD2 4.42Å; R542-Y546 HydrophobicContact CB-CE2 4.24Å; R542-Y546 WeakPolarHBondContact O-CB 3.49Å; R542-Y546 WeakPolarHBondContact O-CD2 3.38Å; R542-Y546 PolarHBondContact O-N 3.1Å; I543-Y546 PolarHBondContact O-N 3.33Å; Y546-S550 VanDerWaalsContact O-CB 3.25Å; Y546-S550 WeakPolarHBondContact O-CB 2.99Å; Y546-S550 PolarHBondContact O-N 3.23Å; Y546-S550 PolarHBondContact O-OG 3.28Å
547	I	96.3	Very high	94.4	Very high	86 Å²	86	53.5 Å²	53.5	44%	0.441	26%	0.262	S	S	.	.	H	α-helix	trans	-64.1	-47	176.3	-67.9	171.6	0	0	0	110.3	F489 I543 Y544 L545 S550 L551	F489-I547 HydrophobicContact CE1-CG2 4.14Å; F489-I547 HydrophobicContact CZ-CG2 3.85Å; I543-I547 HydrophobicContact CG2-CD1 3.61Å; I543-I547 HydrophobicContact CG2-CG1 4.35Å; I543-I547 WeakPolarHBondContact O-CB 3.41Å; I543-I547 VanDerWaalsContact O-CG1 3.26Å; I543-I547 WeakPolarHBondContact O-CG1 3.15Å; I543-I547 PolarHBondContact O-N 3.04Å; Y544-I547 PolarHBondContact O-N 3.05Å; L545-I547 PolarHBondContact O-N 2.73Å; I547-S550 PolarHBondContact O-OG 2.99Å; I547-S550 VanDerWaalsContact O-OG 3.12Å; I547-L551 WeakPolarHBondContact O-CB 3.47Å; I547-L551 PolarHBondContact O-N 3.1Å
548	F	96.5	Very high	94.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61	-50.9	-179.2	178.6	-98.9	0	0	0	112.2	Y486 F489 L514 L517 I518 Y544 L545 L551 F552	Y486-F548 HydrophobicContact CD2-CE2 4.39Å; Y486-F548 HydrophobicContact CD2-CZ 4.47Å; Y486-F548 HydrophobicContact CE2-CZ 4.46Å; F489-F548 HydrophobicContact CB-CD2 3.9Å; F489-F548 HydrophobicContact CB-CE2 4.16Å; F489-F548 HydrophobicContact CD1-CB 4.01Å; F489-F548 AromaticContact CD1-CD2 3.73Å; F489-F548 HydrophobicContact CD1-CD2 3.73Å; F489-F548 HydrophobicContact CD1-CG 4.32Å; F489-F548 HydrophobicContact CD2-CD2 4.18Å; F489-F548 HydrophobicContact CE1-CB 4.02Å; F489-F548 HydrophobicContact CE1-CD2 4.33Å; F489-F548 AromaticContact CG-CD2 3.67Å; F489-F548 HydrophobicContact CG-CD2 3.67Å; F489-F548 HydrophobicContact CG-CE2 4.33Å; L514-F548 HydrophobicContact CB-CE1 4.18Å; L514-F548 HydrophobicContact CB-CE2 4.4Å; L514-F548 HydrophobicContact CB-CZ 3.73Å; L514-F548 HydrophobicContact CD1-CE2 4.48Å; L514-F548 HydrophobicContact CD2-CD1 3.96Å; L514-F548 HydrophobicContact CD2-CD2 4.21Å; L514-F548 HydrophobicContact CD2-CE1 3.72Å; L514-F548 HydrophobicContact CD2-CE2 3.97Å; L514-F548 HydrophobicContact CD2-CG 4.2Å; L514-F548 HydrophobicContact CD2-CZ 3.72Å; L514-F548 HydrophobicContact CG-CZ 4.19Å; L514-F548 WeakPolarHBondContact O-CE1 3.38Å; L517-F548 HydrophobicContact CB-CD1 4.38Å; L517-F548 HydrophobicContact CB-CE1 3.93Å; L517-F548 HydrophobicContact CD1-CD1 4.44Å; L517-F548 HydrophobicContact CD1-CE1 4.48Å; I518-F548 HydrophobicContact CD1-CZ 3.94Å; I518-F548 HydrophobicContact CG1-CE1 3.93Å; I518-F548 HydrophobicContact CG1-CZ 3.67Å; Y544-F548 VanDerWaalsContact O-CB 3.3Å; Y544-F548 WeakPolarHBondContact O-CB 3.36Å; Y544-F548 PolarHBondContact O-N 3.38Å; L545-F548 PolarHBondContact O-N 3.49Å; F548-L551 PolarHBondContact O-N 2.68Å; F548-F552 AromaticContact CD2-CD2 3.5Å; F548-F552 HydrophobicContact CD2-CD2 3.5Å; F548-F552 AromaticContact CD2-CE2 3.74Å; F548-F552 HydrophobicContact CD2-CE2 3.74Å; F548-F552 HydrophobicContact CD2-CG 4.35Å; F548-F552 HydrophobicContact CE2-CD1 4.48Å; F548-F552 AromaticContact CE2-CD2 3.41Å; F548-F552 HydrophobicContact CE2-CD2 3.41Å; F548-F552 VanDerWaalsContact CE2-CD2 3.41Å; F548-F552 AromaticContact CE2-CE2 3.58Å; F548-F552 HydrophobicContact CE2-CE2 3.58Å; F548-F552 AromaticContact CE2-CG 3.91Å; F548-F552 HydrophobicContact CE2-CG 3.91Å; F548-F552 HydrophobicContact CE2-CZ 4.2Å; F548-F552 HydrophobicContact CG-CD2 4.29Å; F548-F552 HydrophobicContact CZ-CD2 4.12Å; F548-F552 HydrophobicContact CZ-CG 4.2Å; F548-F552 WeakPolarHBondContact O-CB 3.37Å; F548-F552 PolarHBondContact O-N 2.98Å
549	I	95.7	Very high	94.8	Very high	12 Å²	12	59 Å²	59	6%	0.062	29%	0.294	C	S	.	.	H	α-helix	trans	-62.9	-48.9	-179	-67.7	159.6	0	0	0	110.1	M523 F527 L545 L551 T553	M523-I549 HydrophobicContact CE-CB 4.5Å; M523-I549 HydrophobicContact CE-CD1 3.65Å; M523-I549 HydrophobicContact CE-CG1 4.14Å; M523-I549 HydrophobicContact CE-CG2 3.6Å; F527-I549 HydrophobicContact CE2-CD1 3.87Å; F527-I549 HydrophobicContact CZ-CD1 3.8Å; L545-I549 HydrophobicContact CB-CD1 4.41Å; L545-I549 WeakPolarHBondContact O-CB 3.25Å; L545-I549 WeakPolarHBondContact O-CD1 3.29Å; L545-I549 VanDerWaalsContact O-CG1 3.24Å; L545-I549 WeakPolarHBondContact O-CG1 3.37Å; L545-I549 PolarHBondContact O-N 3.36Å; I549-L551 PolarHBondContact O-N 2.92Å; I549-T553 WeakPolarHBondContact O-CB 3.34Å; I549-T553 PolarHBondContact O-N 3.23Å; I549-T553 PolarHBondContact O-OG1 3.21Å
550	S	94.5	Very high	94.8	Very high	51 Å²	51	58.8 Å²	58.8	36%	0.357	29%	0.286	S	S	.	.	I	π-helix	trans	-63.4	-41.1	-179.3	58.8	0	0	0	0	112.5	Y546 I547 Y554	Y546-S550 VanDerWaalsContact O-CB 3.25Å; Y546-S550 WeakPolarHBondContact O-CB 2.99Å; Y546-S550 PolarHBondContact O-N 3.23Å; Y546-S550 PolarHBondContact O-OG 3.28Å; I547-S550 PolarHBondContact O-OG 2.99Å; I547-S550 VanDerWaalsContact O-OG 3.12Å; S550-Y554 VanDerWaalsContact O-CB 3.3Å; S550-Y554 WeakPolarHBondContact O-CB 3.31Å; S550-Y554 PolarHBondContact O-N 3.39Å
551	L	95.4	Very high	94.8	Very high	53 Å²	53	59 Å²	59	28%	0.277	29%	0.289	S	S	.	.	I	π-helix	trans	-69.1	-54.1	178.6	-178.2	65.6	0	0	0	111.7	F489 I547 F548 I549 V555 V556	F489-L551 HydrophobicContact CE2-CD2 3.93Å; F489-L551 HydrophobicContact CZ-CD2 4.26Å; I547-L551 WeakPolarHBondContact O-CB 3.47Å; I547-L551 PolarHBondContact O-N 3.1Å; F548-L551 PolarHBondContact O-N 2.68Å; I549-L551 PolarHBondContact O-N 2.92Å; L551-V555 HydrophobicContact CD1-CB 4.45Å; L551-V555 WeakPolarHBondContact O-CA 3.19Å; L551-V555 VanDerWaalsContact O-CB 3.22Å; L551-V555 WeakPolarHBondContact O-CB 3.34Å; L551-V555 PolarHBondContact O-N 2.86Å; L551-V555 VanDerWaalsContact O-N 3.1Å; L551-V556 PolarHBondContact O-N 2.91Å
552	F	96.4	Very high	94.9	Very high	7 Å²	7	60.9 Å²	60.9	3%	0.031	31%	0.306	C	S	.	.	I	π-helix	trans	-76.3	-41.5	-172.6	-83	-96	0	0	0	113.1	L485 Y486 F489 I518 F548 V556 L557	L485-F552 HydrophobicContact CB-CZ 3.95Å; Y486-F552 HydrophobicContact CD2-CE1 4.29Å; F489-F552 AromaticContact CD2-CE2 3.8Å; F489-F552 HydrophobicContact CD2-CE2 3.8Å; F489-F552 HydrophobicContact CE2-CE2 4.06Å; I518-F552 HydrophobicContact CD1-CB 4.42Å; I518-F552 HydrophobicContact CD1-CD1 3.83Å; I518-F552 HydrophobicContact CD1-CE1 4.5Å; I518-F552 HydrophobicContact CD1-CG 4.32Å; I518-F552 HydrophobicContact CG1-CB 3.88Å; I518-F552 HydrophobicContact CG1-CD1 4.23Å; I518-F552 HydrophobicContact CG1-CG 4.26Å; F548-F552 AromaticContact CD2-CD2 3.5Å; F548-F552 HydrophobicContact CD2-CD2 3.5Å; F548-F552 AromaticContact CD2-CE2 3.74Å; F548-F552 HydrophobicContact CD2-CE2 3.74Å; F548-F552 HydrophobicContact CD2-CG 4.35Å; F548-F552 HydrophobicContact CE2-CD1 4.48Å; F548-F552 AromaticContact CE2-CD2 3.41Å; F548-F552 HydrophobicContact CE2-CD2 3.41Å; F548-F552 VanDerWaalsContact CE2-CD2 3.41Å; F548-F552 AromaticContact CE2-CE2 3.58Å; F548-F552 HydrophobicContact CE2-CE2 3.58Å; F548-F552 AromaticContact CE2-CG 3.91Å; F548-F552 HydrophobicContact CE2-CG 3.91Å; F548-F552 HydrophobicContact CE2-CZ 4.2Å; F548-F552 HydrophobicContact CG-CD2 4.29Å; F548-F552 HydrophobicContact CZ-CD2 4.12Å; F548-F552 HydrophobicContact CZ-CG 4.2Å; F548-F552 WeakPolarHBondContact O-CB 3.37Å; F548-F552 PolarHBondContact O-N 2.98Å; F552-V556 HydrophobicContact CD1-CB 4.23Å; F552-V556 HydrophobicContact CD1-CG1 4.27Å; F552-V556 HydrophobicContact CD1-CG2 4.14Å; F552-V556 HydrophobicContact CE1-CG2 4.45Å; F552-V556 HydrophobicContact CG-CG2 4.37Å; F552-V556 WeakPolarHBondContact O-CB 3.37Å; F552-V556 PolarHBondContact O-N 3.23Å; F552-L557 WeakPolarHBondContact O-CB 3.46Å; F552-L557 PolarHBondContact O-N 3.02Å
553	T	94.4	Very high	95	Very high	32 Å²	32	56.2 Å²	56.2	20%	0.196	29%	0.29	C	S	.	.	I	π-helix	trans	-78.4	-42.1	-176.9	-53.8	0	0	0	0	111.7	I518 I549 L557	I518-T553 PolarHBondContact O-OG1 3.48Å; I549-T553 WeakPolarHBondContact O-CB 3.34Å; I549-T553 PolarHBondContact O-N 3.23Å; I549-T553 PolarHBondContact O-OG1 3.21Å; T553-L557 WeakPolarHBondContact O-CB 3.29Å
554	Y	94.6	Very high	94.9	Very high	163 Å²	163	54.9 Å²	54.9	64%	0.639	28%	0.283	S	S	*	.	I	π-helix	trans	-89.7	-33.6	-177.1	-53.5	-40.6	0	0	0	113.9	S550 S558	S550-Y554 VanDerWaalsContact O-CB 3.3Å; S550-Y554 WeakPolarHBondContact O-CB 3.31Å; S550-Y554 PolarHBondContact O-N 3.39Å; Y554-S558 WeakPolarHBondContact O-CB 3.07Å; Y554-S558 PolarHBondContact O-OG 3.4Å
555	V	94.9	Very high	94.8	Very high	72 Å²	72	59.4 Å²	59.4	44%	0.436	31%	0.306	S	S	.	.	I	π-helix	trans	-98.4	-60	-177.3	-172	0	0	0	0	111.2	L551 S558 L559	L551-V555 HydrophobicContact CD1-CB 4.45Å; L551-V555 WeakPolarHBondContact O-CA 3.19Å; L551-V555 VanDerWaalsContact O-CB 3.22Å; L551-V555 WeakPolarHBondContact O-CB 3.34Å; L551-V555 PolarHBondContact O-N 2.86Å; L551-V555 VanDerWaalsContact O-N 3.1Å; V555-S558 PolarHBondContact O-N 2.65Å; V555-L559 HydrophobicContact CG1-CD1 4.02Å; V555-L559 WeakPolarHBondContact O-CB 3.39Å; V555-L559 VanDerWaalsContact O-CG 3.31Å; V555-L559 WeakPolarHBondContact O-CG 3.23Å; V555-L559 PolarHBondContact O-N 3.39Å
556	V	95.1	Very high	94.8	Very high	21 Å²	21	63.8 Å²	63.8	13%	0.127	33%	0.33	C	S	.	.	I	π-helix	trans	-65.8	-46.9	-171.9	179.8	0	0	0	0	111.7	F478 A482 L551 F552 L559 F560	F478-V556 HydrophobicContact CE1-CG1 3.89Å; F478-V556 HydrophobicContact CZ-CG1 3.79Å; F478-V556 WeakPolarHBondContact CZ-O 3.31Å; A482-V556 HydrophobicContact CB-CG1 3.94Å; L551-V556 PolarHBondContact O-N 2.91Å; F552-V556 HydrophobicContact CD1-CB 4.23Å; F552-V556 HydrophobicContact CD1-CG1 4.27Å; F552-V556 HydrophobicContact CD1-CG2 4.14Å; F552-V556 HydrophobicContact CE1-CG2 4.45Å; F552-V556 HydrophobicContact CG-CG2 4.37Å; F552-V556 WeakPolarHBondContact O-CB 3.37Å; F552-V556 PolarHBondContact O-N 3.23Å; V556-L559 PolarHBondContact O-N 3.4Å; V556-F560 PolarHBondContact O-N 3.18Å
557	L	94.1	Very high	94.6	Very high	62 Å²	62	56.8 Å²	56.8	33%	0.325	30%	0.303	S	S	.	.	H	α-helix	trans	-64.4	-41.9	178.3	-171.6	68.4	0	0	0	111.7	F552 T553 L559 F560 I561	F552-L557 WeakPolarHBondContact O-CB 3.46Å; F552-L557 PolarHBondContact O-N 3.02Å; T553-L557 WeakPolarHBondContact O-CB 3.29Å; L557-L559 PolarHBondContact O-N 3.26Å; L557-F560 WeakPolarHBondContact O-CB 3.49Å; L557-F560 PolarHBondContact O-N 3.04Å; L557-I561 HydrophobicContact CG-CD1 4.28Å; L557-I561 WeakPolarHBondContact O-CG1 3.28Å; L557-I561 PolarHBondContact O-N 3.38Å
558	S	94.5	Very high	94.3	Very high	63 Å²	63	57.5 Å²	57.5	44%	0.441	30%	0.301	S	S	.	.	H	α-helix	trans	-62.6	-40.9	176.6	-60.6	0	0	0	0	112.3	Y554 V555 I561 A562	Y554-S558 WeakPolarHBondContact O-CB 3.07Å; Y554-S558 PolarHBondContact O-OG 3.4Å; V555-S558 PolarHBondContact O-N 2.65Å; S558-I561 PolarHBondContact O-N 2.99Å; S558-A562 WeakPolarHBondContact O-CB 3.46Å; S558-A562 PolarHBondContact O-N 2.92Å
559	L	94.4	Very high	94.1	Very high	85 Å²	85	61.7 Å²	61.7	45%	0.445	32%	0.323	S	S	.	.	H	α-helix	trans	-65	-39.7	174.1	-73.3	173.9	0	0	0	111.9	F478 V555 V556 L557 I561 A562 I563	F478-L559 HydrophobicContact CE2-CB 3.84Å; F478-L559 HydrophobicContact CE2-CD1 3.97Å; F478-L559 HydrophobicContact CZ-CB 3.65Å; F478-L559 HydrophobicContact CZ-CD1 4.26Å; V555-L559 HydrophobicContact CG1-CD1 4.02Å; V555-L559 WeakPolarHBondContact O-CB 3.39Å; V555-L559 VanDerWaalsContact O-CG 3.31Å; V555-L559 WeakPolarHBondContact O-CG 3.23Å; V555-L559 PolarHBondContact O-N 3.39Å; V556-L559 PolarHBondContact O-N 3.4Å; L557-L559 PolarHBondContact O-N 3.26Å; L559-I561 PolarHBondContact O-N 3.05Å; L559-A562 PolarHBondContact O-N 2.82Å; L559-I563 VanDerWaalsContact O-CG1 3.28Å; L559-I563 WeakPolarHBondContact O-CG1 3.37Å; L559-I563 PolarHBondContact O-N 3.17Å
560	F	93.5	Very high	93.7	Very high	61 Å²	61	63.7 Å²	63.7	27%	0.268	34%	0.336	S	S	.	.	H	α-helix	trans	-60.4	-45.8	175.5	-175.4	-88.8	0	0	0	111.7	V475 F478 M479 V556 L557 I563 I564	V475-F560 HydrophobicContact CB-CE2 4.46Å; V475-F560 HydrophobicContact CG1-CD2 4.13Å; V475-F560 HydrophobicContact CG1-CE2 3.32Å; V475-F560 HydrophobicContact CG1-CZ 3.93Å; V475-F560 HydrophobicContact CG2-CE2 4.38Å; F478-F560 HydrophobicContact CD1-CD2 4.27Å; F478-F560 HydrophobicContact CE1-CB 4.04Å; F478-F560 HydrophobicContact CE1-CD2 4.42Å; M479-F560 HydrophobicContact CG-CE2 4.24Å; M479-F560 HydrophobicContact SD-CD2 4.09Å; M479-F560 HydrophobicContact SD-CE2 3.97Å; V556-F560 PolarHBondContact O-N 3.18Å; L557-F560 WeakPolarHBondContact O-CB 3.49Å; L557-F560 PolarHBondContact O-N 3.04Å; F560-I563 PolarHBondContact O-N 2.82Å; F560-I564 HydrophobicContact CD1-CD1 3.9Å; F560-I564 HydrophobicContact CE1-CD1 3.41Å; F560-I564 VanDerWaalsContact CE1-CD1 3.41Å; F560-I564 HydrophobicContact CZ-CD1 4.04Å; F560-I564 PolarHBondContact O-N 3.43Å
561	I	93.5	Very high	93.3	Very high	82 Å²	82	61.8 Å²	61.8	42%	0.421	32%	0.321	S	S	.	.	H	α-helix	trans	-63.5	-44.1	175.9	-63.7	167.3	0	0	0	110.1	L557 S558 L559 I563 I564 M565	L557-I561 HydrophobicContact CG-CD1 4.28Å; L557-I561 WeakPolarHBondContact O-CG1 3.28Å; L557-I561 PolarHBondContact O-N 3.38Å; S558-I561 PolarHBondContact O-N 2.99Å; L559-I561 PolarHBondContact O-N 3.05Å; I561-I563 VanDerWaalsContact C-N 3.33Å; I561-I563 PolarHBondContact O-N 3.19Å; I561-I564 PolarHBondContact O-N 3.46Å; I561-I564 VanDerWaalsContact O-N 3.09Å; I561-M565 HydrophobicContact CG2-CE 4Å; I561-M565 HydrophobicContact CG2-CG 4.22Å; I561-M565 HydrophobicContact CG2-SD 4.07Å; I561-M565 WeakPolarHBondContact O-CG 3.36Å; I561-M565 PolarHBondContact O-N 3.29Å
562	A	94.9	Very high	92.8	Very high	42 Å²	42	63.9 Å²	63.9	35%	0.347	33%	0.329	S	S	.	.	H	α-helix	trans	-58.3	-40.7	177.5	0	0	0	0	0	112.9	S558 L559 I564 M565 D566	S558-A562 WeakPolarHBondContact O-CB 3.46Å; S558-A562 PolarHBondContact O-N 2.92Å; L559-A562 PolarHBondContact O-N 2.82Å; A562-I564 VanDerWaalsContact C-N 3.31Å; A562-I564 PolarHBondContact O-N 3.48Å; A562-M565 HydrophobicContact CB-CE 4.4Å; A562-M565 PolarHBondContact O-N 3.25Å; A562-D566 WeakPolarHBondContact O-CB 3.48Å; A562-D566 PolarHBondContact O-N 3.11Å
563	I	95	Very high	92.3	Very high	37 Å²	37	66.7 Å²	66.7	19%	0.19	35%	0.346	C	S	.	.	H	α-helix	trans	-63.2	-37.3	176.3	-68.3	163.4	0	0	0	111.6	N474 V475 F478 L559 F560 I561 A567	N474-I563 HydrophobicContact CB-CG2 3.83Å; V475-I563 HydrophobicContact CG2-CG2 3.87Å; F478-I563 HydrophobicContact CB-CD1 3.7Å; F478-I563 HydrophobicContact CD1-CD1 4.06Å; F478-I563 HydrophobicContact CD2-CD1 3.93Å; F478-I563 HydrophobicContact CG-CD1 3.61Å; L559-I563 VanDerWaalsContact O-CG1 3.28Å; L559-I563 WeakPolarHBondContact O-CG1 3.37Å; L559-I563 PolarHBondContact O-N 3.17Å; F560-I563 PolarHBondContact O-N 2.82Å; I561-I563 VanDerWaalsContact C-N 3.33Å; I561-I563 PolarHBondContact O-N 3.19Å; I563-A567 WeakPolarHBondContact O-CB 3.47Å; I563-A567 PolarHBondContact O-N 2.64Å
564	I	93.9	Very high	91.4	Very high	61 Å²	61	67.2 Å²	67.2	31%	0.313	35%	0.351	S	S	.	.	H	α-helix	trans	-72.8	-40.2	177.8	-65.5	175.6	0	0	0	110.8	V475 F560 I561 A562 A567 Y568	V475-I564 HydrophobicContact CG2-CG1 4.29Å; F560-I564 HydrophobicContact CD1-CD1 3.9Å; F560-I564 HydrophobicContact CE1-CD1 3.41Å; F560-I564 VanDerWaalsContact CE1-CD1 3.41Å; F560-I564 HydrophobicContact CZ-CD1 4.04Å; F560-I564 PolarHBondContact O-N 3.43Å; I561-I564 PolarHBondContact O-N 3.46Å; I561-I564 VanDerWaalsContact O-N 3.09Å; A562-I564 VanDerWaalsContact C-N 3.31Å; A562-I564 PolarHBondContact O-N 3.48Å; I564-A567 PolarHBondContact O-N 3.31Å; I564-Y568 PolarHBondContact O-N 3.37Å
565	M	93.4	Very high	90.2	Very high	106 Å²	106	62.1 Å²	62.1	52%	0.522	33%	0.332	S	S	.	.	H	α-helix	trans	-63.6	-45.7	176	-68.5	-171.6	-57.2	0	0	111.8	I561 A562 A567 Y568 D569	I561-M565 HydrophobicContact CG2-CE 4Å; I561-M565 HydrophobicContact CG2-CG 4.22Å; I561-M565 HydrophobicContact CG2-SD 4.07Å; I561-M565 WeakPolarHBondContact O-CG 3.36Å; I561-M565 PolarHBondContact O-N 3.29Å; A562-M565 HydrophobicContact CB-CE 4.4Å; A562-M565 PolarHBondContact O-N 3.25Å; M565-A567 VanDerWaalsContact C-N 3.32Å; M565-A567 PolarHBondContact O-N 2.94Å; M565-Y568 WeakPolarHBondContact O-CA 3.44Å; M565-Y568 VanDerWaalsContact O-CB 3.31Å; M565-Y568 WeakPolarHBondContact O-CB 3.41Å; M565-Y568 PolarHBondContact O-N 3.1Å; M565-D569 PolarHBondContact O-N 3.39Å
566	D	94.4	Very high	89.1	Confident	93 Å²	93	65.1 Å²	65.1	50%	0.497	34%	0.342	S	S	.	.	H	α-helix	trans	-58.5	-43.9	175	177.2	70.2	0	0	0	111.6	A562 Y568 D569 V570	A562-D566 WeakPolarHBondContact O-CB 3.48Å; A562-D566 PolarHBondContact O-N 3.11Å; D566-Y568 VanDerWaalsContact C-N 3.26Å; D566-Y568 PolarHBondContact O-N 3.46Å; D566-D569 PolarHBondContact O-N 3.28Å; D566-V570 WeakPolarHBondContact O-CB 3.27Å; D566-V570 VanDerWaalsContact O-CG2 3.28Å; D566-V570 WeakPolarHBondContact O-CG2 3.5Å; D566-V570 PolarHBondContact O-N 3.47Å
567	A	91.2	Very high	87.5	Confident	3 Å²	3	70.5 Å²	70.5	3%	0.025	37%	0.366	C	S	.	.	H	α-helix	trans	-62.6	-34.2	175.6	0	0	0	0	0	112.7	T467 R470 I563 I564 M565 I571	T467-A567 HydrophobicContact CG2-CB 4.37Å; R470-A567 HydrophobicContact CG-CB 4.44Å; I563-A567 WeakPolarHBondContact O-CB 3.47Å; I563-A567 PolarHBondContact O-N 2.64Å; I564-A567 PolarHBondContact O-N 3.31Å; M565-A567 VanDerWaalsContact C-N 3.32Å; M565-A567 PolarHBondContact O-N 2.94Å; A567-I571 WeakPolarHBondContact O-CB 3.49Å; A567-I571 WeakPolarHBondContact O-CD1 3.44Å; A567-I571 VanDerWaalsContact O-CG1 3.29Å; A567-I571 WeakPolarHBondContact O-CG1 3.46Å; A567-I571 PolarHBondContact O-N 3.1Å
568	Y	90.5	Very high	85.6	Confident	101 Å²	101	75 Å²	75	40%	0.396	39%	0.385	S	S	.	.	H	α-helix	trans	-67.2	-48.8	175.6	178.3	-98.5	0	0	0	111.2	L463 T467 I564 M565 D566 I571 K572	L463-Y568 HydrophobicContact CD2-CE2 3.75Å; L463-Y568 HydrophobicContact CG-CE2 4.23Å; T467-Y568 HydrophobicContact CG2-CD2 4.26Å; I564-Y568 PolarHBondContact O-N 3.37Å; M565-Y568 WeakPolarHBondContact O-CA 3.44Å; M565-Y568 VanDerWaalsContact O-CB 3.31Å; M565-Y568 WeakPolarHBondContact O-CB 3.41Å; M565-Y568 PolarHBondContact O-N 3.1Å; D566-Y568 VanDerWaalsContact C-N 3.26Å; D566-Y568 PolarHBondContact O-N 3.46Å; Y568-I571 PolarHBondContact O-N 3.43Å; Y568-K572 HydrophobicContact CE1-CD 4.49Å; Y568-K572 WeakPolarHBondContact O-CB 3.3Å; Y568-K572 PolarHBondContact O-N 3.42Å
569	D	91.1	Very high	83.3	Confident	89 Å²	89	74.1 Å²	74.1	48%	0.476	38%	0.379	S	S	.	.	H	α-helix	trans	-64	-45.2	-178.7	-71.8	-24.1	0	0	0	111.9	M565 D566 I571 K572 V573	M565-D569 PolarHBondContact O-N 3.39Å; D566-D569 PolarHBondContact O-N 3.28Å; D569-I571 VanDerWaalsContact C-N 3.26Å; D569-I571 PolarHBondContact O-N 3.27Å; D569-K572 WeakPolarHBondContact O-CB 3.21Å; D569-K572 PolarHBondContact O-N 2.86Å; D569-V573 WeakPolarHBondContact O-CG2 3.04Å; D569-V573 PolarHBondContact O-N 2.93Å
570	V	89	Confident	81.1	Confident	54 Å²	54	75.3 Å²	75.3	33%	0.327	38%	0.382	S	S	.	.	H	α-helix	trans	-57.7	-41.2	175.7	170.8	0	0	0	0	111.2	D566 C574	D566-V570 WeakPolarHBondContact O-CB 3.27Å; D566-V570 VanDerWaalsContact O-CG2 3.28Å; D566-V570 WeakPolarHBondContact O-CG2 3.5Å; D566-V570 PolarHBondContact O-N 3.47Å; V570-C574 WeakPolarHBondContact O-CB 3.25Å; V570-C574 PolarHBondContact O-N 3.41Å; V570-C574 PolarHBondContact O-SG 3.36Å
571	I	85.4	Confident	79.3	Confident	10 Å²	10	78 Å²	78	5%	0.051	40%	0.399	C	S	.	.	H	α-helix	trans	-73.8	-36.5	-179.6	-70.9	169	0	0	0	111.3	L463 L466 R470 A567 Y568 D569 C574 H575	L463-I571 HydrophobicContact CD1-CB 4.48Å; L463-I571 HydrophobicContact CD1-CG2 3.52Å; L466-I571 VanDerWaalsContact C-CD1 3.46Å; L466-I571 HydrophobicContact CB-CD1 4.43Å; L466-I571 HydrophobicContact CB-CG2 4.38Å; L466-I571 HydrophobicContact CD2-CG2 3.69Å; L466-I571 HydrophobicContact CG-CD1 3.9Å; L466-I571 HydrophobicContact CG-CG1 4.45Å; L466-I571 HydrophobicContact CG-CG2 3.97Å; L466-I571 VanDerWaalsContact O-CD1 3.31Å; L466-I571 WeakPolarHBondContact O-CD1 3.01Å; R470-I571 HydrophobicContact CB-CD1 3.38Å; R470-I571 HydrophobicContact CB-CG1 4.35Å; R470-I571 HydrophobicContact CG-CD1 3.78Å; R470-I571 HydrophobicContact CG-CG1 4.27Å; A567-I571 WeakPolarHBondContact O-CB 3.49Å; A567-I571 WeakPolarHBondContact O-CD1 3.44Å; A567-I571 VanDerWaalsContact O-CG1 3.29Å; A567-I571 WeakPolarHBondContact O-CG1 3.46Å; A567-I571 PolarHBondContact O-N 3.1Å; Y568-I571 PolarHBondContact O-N 3.43Å; D569-I571 VanDerWaalsContact C-N 3.26Å; D569-I571 PolarHBondContact O-N 3.27Å; I571-C574 CarbonylContact O-C 3.48Å; I571-C574 PolarHBondContact O-N 2.9Å; I571-H575 WeakPolarHBondContact O-CB 3.5Å; I571-H575 PolarHBondContact O-N 3Å
572	K	85.5	Confident	78	Confident	98 Å²	98	74.7 Å²	74.7	43%	0.426	38%	0.383	S	S	.	.	H	α-helix	trans	-58.2	-49.1	173.9	-173.8	-177.2	174.3	-170.2	0	110.7	Y568 D569 C574 H575 E576	Y568-K572 HydrophobicContact CE1-CD 4.49Å; Y568-K572 WeakPolarHBondContact O-CB 3.3Å; Y568-K572 PolarHBondContact O-N 3.42Å; D569-K572 WeakPolarHBondContact O-CB 3.21Å; D569-K572 PolarHBondContact O-N 2.86Å; K572-C574 PolarHBondContact O-N 2.94Å; K572-H575 WeakPolarHBondContact O-CA 3.37Å; K572-H575 WeakPolarHBondContact O-CB 3.33Å; K572-H575 PolarHBondContact O-N 3.46Å; K572-E576 PolarHBondContact O-N 3.06Å
573	V	85.3	Confident	76.8	Confident	66 Å²	66	75.3 Å²	75.3	40%	0.4	38%	0.382	S	S	.	.	H	α-helix	trans	-63	-44	175.7	177.7	0	0	0	0	111.6	D569 H575 E576 Q577	D569-V573 WeakPolarHBondContact O-CG2 3.04Å; D569-V573 PolarHBondContact O-N 2.93Å; V573-H575 PolarHBondContact O-N 3.21Å; V573-E576 PolarHBondContact O-N 3.22Å; V573-E576 VanDerWaalsContact O-N 3.09Å; V573-Q577 HydrophobicContact CG1-CG 4.36Å; V573-Q577 PolarHBondContact O-N 2.81Å
574	C	74.7	Confident	75.7	Confident	43 Å²	43	73.9 Å²	73.9	29%	0.291	38%	0.375	S	S	.	.	H	α-helix	trans	-64	-19.2	174.1	-71.4	0	0	0	0	113.7	V570 I571 K572	V570-C574 WeakPolarHBondContact O-CB 3.25Å; V570-C574 PolarHBondContact O-N 3.41Å; V570-C574 PolarHBondContact O-SG 3.36Å; I571-C574 CarbonylContact O-C 3.48Å; I571-C574 PolarHBondContact O-N 2.9Å; K572-C574 PolarHBondContact O-N 2.94Å
575	H	70.7	Confident	74.5	Confident	55 Å²	55	71.4 Å²	71.4	26%	0.255	36%	0.363	S	S	.	.	H	α-helix	trans	-80.5	-30.7	176.4	-154.6	76.5	0	0	0	111	R8 I571 K572 V573	R8-H575 PolarHBondContact NH1-CD2 3Å; R8-H575 VanDerWaalsContact NH1-CD2 3.25Å; R8-H575 PolarHBondContact NH1-NE2 3.3Å; R8-H575 PolarHBondContact NH1-O 3.14Å; R8-H575 PolarHBondContact NH2-CD2 2.8Å; R8-H575 PolarHBondContact NH2-CE1 3.13Å; R8-H575 PolarHBondContact NH2-ND1 2.87Å; R8-H575 PolarHBondContact NH2-NE2 3.01Å; R8-H575 PolarHBondContact NH2-O 2.85Å; I571-H575 WeakPolarHBondContact O-CB 3.5Å; I571-H575 PolarHBondContact O-N 3Å; K572-H575 WeakPolarHBondContact O-CA 3.37Å; K572-H575 WeakPolarHBondContact O-CB 3.33Å; K572-H575 PolarHBondContact O-N 3.46Å; V573-H575 PolarHBondContact O-N 3.21Å
576	E	70.9	Confident	73.4	Confident	136 Å²	136	69.9 Å²	69.9	64%	0.636	35%	0.354	S	S	*	.	H	α-helix	trans	-85	-45.4	177.3	-67.3	169.8	-175.9	0	0	111.8	K572 V573	K572-E576 PolarHBondContact O-N 3.06Å; V573-E576 PolarHBondContact O-N 3.22Å; V573-E576 VanDerWaalsContact O-N 3.09Å
577	Q	62.4	Low	72.4	Confident	134 Å²	134	66.6 Å²	66.6	63%	0.626	34%	0.336	S	S	*	.	S	Bend	trans	-91.4	111.3	178.4	-66.2	179.3	-10.6	0	0	110.6	V573 S579	V573-Q577 HydrophobicContact CG1-CG 4.36Å; V573-Q577 PolarHBondContact O-N 2.81Å; Q577-S579 PolarHBondContact O-N 2.95Å
578	Q	52.9	Low	71.5	Confident	155 Å²	155	67.4 Å²	67.4	72%	0.724	34%	0.339	S	S	*	.			trans	-69.9	44.9	-173.7	-125.2	172.5	-0.1	0	0	114.6	Q580	Q578-Q580 PolarHBondContact O-N 2.94Å
579	S	46.1	Very low	70.1	Confident	45 Å²	45	63.4 Å²	63.4	32%	0.315	33%	0.329	S	S	.	.			trans	-65.3	129.2	-171.8	93.1	0	0	0	0	113.8	R5 Q577 D581	R5-S579 PolarHBondContact NH1-O 2.76Å; R5-S579 PolarHBondContact NH2-OG 3.2Å; Q577-S579 PolarHBondContact O-N 2.95Å; S579-D581 PolarHBondContact OG-OD2 3.42Å
580	Q	48.1	Very low	68.3	Low	110 Å²	110	66.6 Å²	66.6	51%	0.514	34%	0.338	S	S	.	.			trans	-102.1	80.2	-176.9	-74.4	-175	-11.1	0	0	112.5	Q578 Q586	Q578-Q580 PolarHBondContact O-N 2.94Å; Q580-Q586 PolarHBondContact O-NE2 3.49Å
581	D	56.4	Low	66.1	Low	118 Å²	118	66.2 Å²	66.2	63%	0.631	33%	0.334	S	S	*	.			trans	-102.3	-11.8	-171.9	-53.4	-38.2	0	0	0	115.9	R5 S579	R5-D581 IonicContact NH1-OD2 3.77Å; S579-D581 PolarHBondContact OG-OD2 3.42Å
582	S	65.7	Low	64.1	Low	12 Å²	12	68.9 Å²	68.9	8%	0.084	36%	0.358	C	S	.	.			trans	-100.7	132.7	-177	169.2	0	0	0	0	112.2	N2 D394 L584 L585 Q586	N2-S582 VanDerWaalsContact ND2-CB 3.28Å; N2-S582 WeakPolarHBondContact ND2-CB 3.31Å; N2-S582 PolarHBondContact ND2-OG 3.38Å; N2-S582 WeakPolarHBondContact OD1-CB 3.33Å; D394-S582 VanDerWaalsContact CG-OG 3.22Å; D394-S582 PolarHBondContact OD1-OG 3.43Å; D394-S582 PolarHBondContact OD2-OG 2.7Å; S582-L584 PolarHBondContact O-N 2.88Å; S582-L584 PolarHBondContact OG-N 3.48Å; S582-L585 CarbonylContact O-C 3.59Å; S582-L585 WeakPolarHBondContact O-CA 3.27Å; S582-L585 WeakPolarHBondContact O-CB 3.34Å; S582-L585 PolarHBondContact O-N 3.49Å; S582-Q586 PolarHBondContact O-N 3.31Å
583	V	70	Confident	62.2	Low	55 Å²	55	68.4 Å²	68.4	33%	0.333	37%	0.372	S	S	.	.	H	α-helix	trans	-51.8	-38.8	172.7	176.9	0	0	0	0	111.5	L382 Q388 Q586 F587	L382-V583 HydrophobicContact CD2-CG1 4.37Å; Q388-V583 VanDerWaalsContact OE1-CG1 3.28Å; V583-Q586 PolarHBondContact O-N 2.8Å; V583-F587 WeakPolarHBondContact O-CB 3.3Å; V583-F587 PolarHBondContact O-N 3.34Å
584	L	71.6	Confident	60	Low	8 Å²	8	71.4 Å²	71.4	4%	0.042	39%	0.386	C	S	.	.	H	α-helix	trans	-64.1	-41.7	175.8	-178.1	67.9	0	0	0	111.6	L57 F61 T378 D394 F398 S582 F587 I588	L57-L584 HydrophobicContact CD1-CD1 4.29Å; L57-L584 HydrophobicContact CD2-CD1 4.45Å; F61-L584 HydrophobicContact CE2-CD2 4.05Å; F61-L584 HydrophobicContact CZ-CD2 4.08Å; T378-L584 HydrophobicContact CG2-CD1 4.42Å; D394-L584 HydrophobicContact CB-CB 4.46Å; F398-L584 HydrophobicContact CE2-CD2 4.28Å; F398-L584 HydrophobicContact CZ-CD1 4.27Å; F398-L584 HydrophobicContact CZ-CD2 4.43Å; S582-L584 PolarHBondContact O-N 2.88Å; S582-L584 PolarHBondContact OG-N 3.48Å; L584-F587 PolarHBondContact O-N 2.67Å; L584-I588 HydrophobicContact CD1-CD1 4.19Å; L584-I588 HydrophobicContact CG-CD1 4.03Å; L584-I588 WeakPolarHBondContact O-CD1 2.87Å; L584-I588 VanDerWaalsContact O-CG1 3.25Å; L584-I588 WeakPolarHBondContact O-CG1 3.49Å; L584-I588 PolarHBondContact O-N 3.26Å; L584-I588 VanDerWaalsContact O-N 3.1Å
585	L	69.5	Low	58.4	Low	8 Å²	8	75.2 Å²	75.2	4%	0.042	40%	0.399	C	S	.	.	H	α-helix	trans	-71.7	-37.9	179.2	-168	68.3	0	0	0	111.3	R5 L6 S582 I588 G589	R5-L585 HydrophobicContact CB-CD1 4.42Å; R5-L585 HydrophobicContact CB-CD2 4.11Å; L6-L585 HydrophobicContact CD1-CD1 3.94Å; L6-L585 HydrophobicContact CG-CD1 3.74Å; S582-L585 CarbonylContact O-C 3.59Å; S582-L585 WeakPolarHBondContact O-CA 3.27Å; S582-L585 WeakPolarHBondContact O-CB 3.34Å; S582-L585 PolarHBondContact O-N 3.49Å; L585-I588 PolarHBondContact O-N 3.35Å; L585-G589 PolarHBondContact O-N 2.88Å
586	Q	70.6	Confident	56.6	Low	75 Å²	75	78.2 Å²	78.2	35%	0.35	43%	0.426	S	S	.	.	H	α-helix	trans	-63.3	-41.7	172.9	-69.3	177.9	1.1	0	0	111.3	Q580 S582 V583 I588 G589 K590	Q580-Q586 PolarHBondContact O-NE2 3.49Å; S582-Q586 PolarHBondContact O-N 3.31Å; V583-Q586 PolarHBondContact O-N 2.8Å; Q586-I588 VanDerWaalsContact C-N 3.33Å; Q586-I588 PolarHBondContact O-N 3.49Å; Q586-G589 PolarHBondContact O-N 3.19Å; Q586-K590 WeakPolarHBondContact O-CB 3.35Å; Q586-K590 VanDerWaalsContact O-CG 3.3Å; Q586-K590 WeakPolarHBondContact O-CG 3.37Å; Q586-K590 PolarHBondContact O-N 3.41Å
587	F	73.1	Confident	54.8	Low	24 Å²	24	79.1 Å²	79.1	11%	0.105	44%	0.436	C	S	.	.	H	α-helix	trans	-63.2	-38	176.3	-178.8	-107.1	0	0	0	112.6	K54 L57 F381 V583 L584	K54-F587 HydrophobicContact CB-CE1 4.42Å; K54-F587 HydrophobicContact CD-CE1 4.33Å; K54-F587 HydrophobicContact CD-CE2 4.42Å; K54-F587 HydrophobicContact CD-CZ 4.13Å; K54-F587 VanDerWaalsContact CE-CE2 3.43Å; K54-F587 HydrophobicContact CG-CD1 3.9Å; K54-F587 HydrophobicContact CG-CE1 3.3Å; K54-F587 HydrophobicContact CG-CE2 4.19Å; K54-F587 HydrophobicContact CG-CZ 3.48Å; K54-F587 VanDerWaalsContact CG-CZ 3.48Å; L57-F587 HydrophobicContact CD1-CD1 4.05Å; L57-F587 HydrophobicContact CD1-CE1 3.95Å; F381-F587 HydrophobicContact CD1-CZ 4.23Å; F381-F587 HydrophobicContact CE1-CE2 4.05Å; F381-F587 AromaticContact CE1-CZ 3.76Å; F381-F587 HydrophobicContact CE1-CZ 3.76Å; V583-F587 WeakPolarHBondContact O-CB 3.3Å; V583-F587 PolarHBondContact O-N 3.34Å; L584-F587 PolarHBondContact O-N 2.67Å
588	I	71.2	Confident	53.7	Low	20 Å²	20	79.6 Å²	79.6	10%	0.103	44%	0.438	C	S	.	.	H	α-helix	trans	-79.4	-31.3	177.5	-58.2	161.1	0	0	0	111.6	L6 L57 R58 F61 L584 L585 Q586	L6-I588 HydrophobicContact CD1-CD1 3.7Å; L6-I588 HydrophobicContact CD2-CB 4.26Å; L6-I588 HydrophobicContact CD2-CD1 4.24Å; L6-I588 HydrophobicContact CD2-CG2 3.48Å; L6-I588 VanDerWaalsContact CD2-CG2 3.48Å; L57-I588 HydrophobicContact CB-CD1 4.06Å; L57-I588 HydrophobicContact CB-CG1 4.15Å; R58-I588 HydrophobicContact CB-CG2 4.26Å; F61-I588 HydrophobicContact CD2-CD1 4.3Å; F61-I588 HydrophobicContact CE2-CD1 4.45Å; L584-I588 HydrophobicContact CD1-CD1 4.19Å; L584-I588 HydrophobicContact CG-CD1 4.03Å; L584-I588 WeakPolarHBondContact O-CD1 2.87Å; L584-I588 VanDerWaalsContact O-CG1 3.25Å; L584-I588 WeakPolarHBondContact O-CG1 3.49Å; L584-I588 PolarHBondContact O-N 3.26Å; L584-I588 VanDerWaalsContact O-N 3.1Å; L585-I588 PolarHBondContact O-N 3.35Å; Q586-I588 VanDerWaalsContact C-N 3.33Å; Q586-I588 PolarHBondContact O-N 3.49Å
589	G	61.2	Low	52.8	Low	17 Å²	17	81.1 Å²	81.1	18%	0.175	45%	0.445	C	S	.	.	H	α-helix	trans	-82.4	-25.6	-176.3	0	0	0	0	0	115.4	L585 Q586 L591 A592	L585-G589 PolarHBondContact O-N 2.88Å; Q586-G589 PolarHBondContact O-N 3.19Å; G589-L591 PolarHBondContact O-N 3.05Å; G589-A592 PolarHBondContact O-N 2.7Å
590	K	54.1	Low	52.4	Low	155 Å²	155	82.7 Å²	82.7	67%	0.674	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-4.7	-174.3	-90.1	-178.1	178.6	-172	0	116.7	Q586	Q586-K590 WeakPolarHBondContact O-CB 3.35Å; Q586-K590 VanDerWaalsContact O-CG 3.3Å; Q586-K590 WeakPolarHBondContact O-CG 3.37Å; Q586-K590 PolarHBondContact O-N 3.41Å
591	L	43.4	Very low	51.8	Low	47 Å²	47	81.4 Å²	81.4	25%	0.246	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-6.5	170.9	-93.8	115.3	0	0	0	114.9	E51 K54 G589 A593 D594	E51-L591 WeakPolarHBondContact OE1-CD1 3.23Å; K54-L591 HydrophobicContact CD-CD1 3.86Å; G589-L591 PolarHBondContact O-N 3.05Å; L591-A593 PolarHBondContact O-N 3.43Å; L591-D594 PolarHBondContact O-N 3.4Å; L591-D594 VanDerWaalsContact O-N 3.1Å
592	A	43.5	Very low	50.8	Low	66 Å²	66	80.7 Å²	80.7	55%	0.545	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-10	174	0	0	0	0	0	112.4	G589	G589-A592 PolarHBondContact O-N 2.7Å
593	A	43.8	Very low	49.4	Very low	87 Å²	87	84.5 Å²	84.5	72%	0.719	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-15.4	175.2	0	0	0	0	0	114	L591	L591-A593 PolarHBondContact O-N 3.43Å
594	D	40.5	Very low	47.9	Very low	130 Å²	130	87.7 Å²	87.7	70%	0.695	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	-14.6	-167.6	-77.3	-26.1	0	0	0	115.8	L591	L591-D594 PolarHBondContact O-N 3.4Å; L591-D594 VanDerWaalsContact O-N 3.1Å
595	E	40.8	Very low	46.4	Very low	123 Å²	123	90.3 Å²	90.3	58%	0.575	50%	0.5	S	S	*	.			trans	-142.1	97.2	-176.3	-70.5	-179.5	162.4	0	0	113.7
596	S	33	Very low	45	Very low	117 Å²	117	91.5 Å²	91.5	82%	0.818	51%	0.511	S	S	*	.	S	Bend	trans	-94.7	69.2	165.9	58.8	0	0	0	0	110.1
597	D	33	Very low	43.9	Very low	155 Å²	155	91.8 Å²	91.8	83%	0.829	52%	0.518	S	S	*	.			trans	164.1	87.1	157.3	-94.4	-24.1	0	0	0	109.7
598	E	38.3	Very low	42.4	Very low	145 Å²	145	96.9 Å²	96.9	68%	0.678	54%	0.54	S	S	*	.			trans	-146.9	138.2	163.4	-87.7	-147.1	151.2	0	0	115.4
599	Q	35	Very low	41.5	Very low	187 Å²	187	100 Å²	100	87%	0.874	56%	0.557	S	S	*	*			trans	-88.4	114.2	-171.2	-164.4	159.5	0.9	0	0	110.2	P601	Q599-P601 WeakPolarHBondContact O-CD 3.23Å
600	F	37.6	Very low	41	Very low	78 Å²	78	107 Å²	107	34%	0.342	58%	0.578	S	S	.	*			trans	-54.9	122.3	-177.4	-78.7	-87.4	0	0	0	113.6	I70 V602	I70-F600 HydrophobicContact CD1-CE2 4.26Å; I70-F600 HydrophobicContact CG2-CD2 3.59Å; I70-F600 HydrophobicContact CG2-CE2 3.99Å; I70-F600 HydrophobicContact CG2-CG 4.16Å; F600-V602 PolarHBondContact O-N 3.31Å
601	P	35.2	Very low	41	Very low	83 Å²	83	103.4 Å²	103.4	54%	0.539	57%	0.565	S	S	.	*			trans	-72	125.9	174	25.8	-31.3	0	0	0	111.8	Q599 T603	Q599-P601 WeakPolarHBondContact O-CD 3.23Å; P601-T603 PolarHBondContact O-N 2.86Å; P601-T603 VanDerWaalsContact O-N 3.12Å
602	V	36.4	Very low	41.7	Very low	102 Å²	102	104 Å²	104	62%	0.618	57%	0.573	S	S	*	*			trans	-78.2	91.7	178.5	-177.3	0	0	0	0	110	F600	F600-V602 PolarHBondContact O-N 3.31Å
603	T	34.9	Very low	42.5	Very low	92 Å²	92	109.6 Å²	109.6	56%	0.564	58%	0.58	S	S	*	*			trans	-127.7	55.3	172.2	47.7	0	0	0	0	113.4	P601 S605	P601-T603 PolarHBondContact O-N 2.86Å; P601-T603 VanDerWaalsContact O-N 3.12Å; T603-S605 VanDerWaalsContact C-N 3.34Å; T603-S605 PolarHBondContact O-N 3.31Å
604	E	38.3	Very low	43.3	Very low	122 Å²	122	108.2 Å²	108.2	57%	0.57	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	69.6	160.2	-104.3	179.3	-145.1	0	0	110.9	R71	R71-E604 IonicContact CZ-OE1 2.93Å; R71-E604 IonicContact CZ-OE2 2.73Å; R71-E604 IonicContact NH1-OE1 2.76Å; R71-E604 PolarHBondContact NH1-OE1 2.86Å; R71-E604 IonicContact NH1-OE2 2.87Å; R71-E604 PolarHBondContact NH1-OE2 2.96Å; R71-E604 IonicContact NH2-OE1 2.81Å; R71-E604 PolarHBondContact NH2-OE1 3.24Å
605	S	41.6	Very low	44.5	Very low	63 Å²	63	105.9 Å²	105.9	44%	0.441	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-142.9	-23.5	164.5	49.5	0	0	0	0	110.6	T603 V607 L609	T603-S605 VanDerWaalsContact C-N 3.34Å; T603-S605 PolarHBondContact O-N 3.31Å; S605-V607 PolarHBondContact O-N 2.79Å; S605-L609 VanDerWaalsContact O-CB 3.22Å; S605-L609 WeakPolarHBondContact O-CB 3.34Å; S605-L609 WeakPolarHBondContact O-CD1 3.27Å; S605-L609 WeakPolarHBondContact O-CG 3.28Å; S605-L609 PolarHBondContact O-N 3Å
606	A	40	Very low	45.7	Very low	33 Å²	33	108 Å²	108	27%	0.273	56%	0.558	S	S	.	*	H	α-helix	trans	-67.4	-33.4	-177.3	0	0	0	0	0	114.8	R610	A606-R610 VanDerWaalsContact O-CB 3.25Å; A606-R610 WeakPolarHBondContact O-CB 3.27Å; A606-R610 WeakPolarHBondContact O-CG 3.25Å; A606-R610 PolarHBondContact O-N 3.45Å
607	V	46.6	Very low	47.3	Very low	81 Å²	81	105 Å²	105	49%	0.491	54%	0.537	S	S	.	.	H	α-helix	trans	-76.1	-42.2	-180	-179.3	0	0	0	0	111.2	S605 R610 L611	S605-V607 PolarHBondContact O-N 2.79Å; V607-R610 PolarHBondContact O-N 2.87Å; V607-L611 WeakPolarHBondContact O-CB 3.47Å; V607-L611 PolarHBondContact O-N 2.77Å
608	F	43.2	Very low	48.9	Very low	132 Å²	132	106.4 Å²	106.4	58%	0.579	53%	0.531	S	S	*	.	H	α-helix	trans	-65.1	-41.4	174.4	-165.8	-97.7	0	0	0	110.9	L611 C612	F608-L611 PolarHBondContact O-N 3.25Å; F608-C612 WeakPolarHBondContact O-CB 3.4Å; F608-C612 PolarHBondContact O-N 3.39Å; F608-C612 PolarHBondContact O-SG 3.46Å; F608-C612 VanDerWaalsContact O-SG 3.39Å
609	L	50.4	Low	50.1	Low	86 Å²	86	107.3 Å²	107.3	45%	0.45	53%	0.533	S	S	.	.	H	α-helix	trans	-67	-36	173.8	-73	167.8	0	0	0	112.8	S605 R613	S605-L609 VanDerWaalsContact O-CB 3.22Å; S605-L609 WeakPolarHBondContact O-CB 3.34Å; S605-L609 WeakPolarHBondContact O-CD1 3.27Å; S605-L609 WeakPolarHBondContact O-CG 3.28Å; S605-L609 PolarHBondContact O-N 3Å; L609-R613 WeakPolarHBondContact O-CB 3.49Å; L609-R613 WeakPolarHBondContact O-CG 3.47Å; L609-R613 PolarHBondContact O-N 3.27Å
610	R	52.1	Low	51.7	Low	164 Å²	164	104.1 Å²	104.1	62%	0.619	52%	0.518	S	S	*	.	H	α-helix	trans	-67.6	-38.6	173.4	-81.1	-178.9	-161.3	-174	4	111.9	A606 V607 S614	A606-R610 VanDerWaalsContact O-CB 3.25Å; A606-R610 WeakPolarHBondContact O-CB 3.27Å; A606-R610 WeakPolarHBondContact O-CG 3.25Å; A606-R610 PolarHBondContact O-N 3.45Å; V607-R610 PolarHBondContact O-N 2.87Å; R610-S614 VanDerWaalsContact O-CB 3.22Å; R610-S614 WeakPolarHBondContact O-CB 3.33Å; R610-S614 PolarHBondContact O-N 3.2Å
611	L	53.7	Low	53.1	Low	78 Å²	78	108.3 Å²	108.3	41%	0.408	54%	0.539	S	S	.	.	H	α-helix	trans	-70.2	-44	176.8	-136.8	109.3	0	0	0	111	Y373 V607 F608 R613 S614 V615	Y373-L611 HydrophobicContact CE2-CD1 4.25Å; V607-L611 WeakPolarHBondContact O-CB 3.47Å; V607-L611 PolarHBondContact O-N 2.77Å; F608-L611 PolarHBondContact O-N 3.25Å; L611-R613 PolarHBondContact O-N 2.84Å; L611-S614 PolarHBondContact O-N 3.29Å; L611-V615 WeakPolarHBondContact O-CB 3.43Å; L611-V615 VanDerWaalsContact O-CG2 3.28Å; L611-V615 WeakPolarHBondContact O-CG2 3.23Å; L611-V615 PolarHBondContact O-N 3.02Å
612	C	58	Low	54.4	Low	59 Å²	59	115.5 Å²	115.5	40%	0.399	56%	0.555	S	S	.	*	H	α-helix	trans	-62.8	-39.8	173.2	-74.2	0	0	0	0	111.9	F608 R616	F608-C612 WeakPolarHBondContact O-CB 3.4Å; F608-C612 PolarHBondContact O-N 3.39Å; F608-C612 PolarHBondContact O-SG 3.46Å; F608-C612 VanDerWaalsContact O-SG 3.39Å; C612-R616 WeakPolarHBondContact O-CB 3.37Å; C612-R616 PolarHBondContact O-N 3.29Å
613	R	59.6	Low	55	Low	184 Å²	184	124.4 Å²	124.4	69%	0.694	58%	0.578	S	S	*	*	H	α-helix	trans	-67.3	-38.9	174.5	-77.7	-179.5	-169.7	-176.9	3.5	112.4	L609 L611 S617	L609-R613 WeakPolarHBondContact O-CB 3.49Å; L609-R613 WeakPolarHBondContact O-CG 3.47Å; L609-R613 PolarHBondContact O-N 3.27Å; L611-R613 PolarHBondContact O-N 2.84Å; R613-S617 VanDerWaalsContact O-CB 3.27Å; R613-S617 WeakPolarHBondContact O-CB 3.25Å; R613-S617 PolarHBondContact O-N 3.07Å; R613-S617 PolarHBondContact O-OG 3.42Å
614	S	61.8	Low	56	Low	59 Å²	59	126.1 Å²	126.1	41%	0.413	58%	0.578	S	S	.	*	H	α-helix	trans	-70.5	-39	177.6	177.4	0	0	0	0	112.8	R610 L611 S617 R618	R610-S614 VanDerWaalsContact O-CB 3.22Å; R610-S614 WeakPolarHBondContact O-CB 3.33Å; R610-S614 PolarHBondContact O-N 3.2Å; L611-S614 PolarHBondContact O-N 3.29Å; S614-S617 PolarHBondContact O-OG 3.21Å; S614-S617 VanDerWaalsContact O-OG 3.14Å; S614-R618 WeakPolarHBondContact O-CB 3.41Å; S614-R618 WeakPolarHBondContact O-CG 3.22Å; S614-R618 PolarHBondContact O-N 3.02Å; S614-R618 VanDerWaalsContact O-N 3.16Å
615	V	64.2	Low	56.9	Low	80 Å²	80	126.3 Å²	126.3	49%	0.485	58%	0.579	S	S	.	*	H	α-helix	trans	-71.1	-40.4	174.2	174.1	0	0	0	0	110.7	L611 R618 F619	L611-V615 WeakPolarHBondContact O-CB 3.43Å; L611-V615 VanDerWaalsContact O-CG2 3.28Å; L611-V615 WeakPolarHBondContact O-CG2 3.23Å; L611-V615 PolarHBondContact O-N 3.02Å; V615-R618 PolarHBondContact O-N 2.65Å; V615-F619 PolarHBondContact O-N 3.25Å
616	R	67.1	Low	57.8	Low	167 Å²	167	129.8 Å²	129.8	63%	0.63	59%	0.586	S	S	*	*	H	α-helix	trans	-65.5	-43.6	175.7	-174	173.2	-179.8	164.6	1.6	112.1	C612 R618 F619 E620	C612-R616 WeakPolarHBondContact O-CB 3.37Å; C612-R616 PolarHBondContact O-N 3.29Å; R616-R618 VanDerWaalsContact C-N 3.27Å; R616-R618 PolarHBondContact O-N 2.75Å; R616-F619 PolarHBondContact O-N 2.71Å; R616-F619 VanDerWaalsContact O-N 3.11Å; R616-E620 IonicContact CZ-OE1 2.91Å; R616-E620 IonicContact NE-OE1 2.66Å; R616-E620 PolarHBondContact NE-OE1 3.34Å; R616-E620 IonicContact NH2-OE1 3.59Å; R616-E620 PolarHBondContact O-N 3.27Å
617	S	66.8	Low	58.8	Low	56 Å²	56	135.5 Å²	135.5	39%	0.392	61%	0.605	S	S	.	*	H	α-helix	trans	-64.3	-32.9	176.8	75.5	0	0	0	0	112.1	R613 S614 Q621	R613-S617 VanDerWaalsContact O-CB 3.27Å; R613-S617 WeakPolarHBondContact O-CB 3.25Å; R613-S617 PolarHBondContact O-N 3.07Å; R613-S617 PolarHBondContact O-OG 3.42Å; S614-S617 PolarHBondContact O-OG 3.21Å; S614-S617 VanDerWaalsContact O-OG 3.14Å; S617-Q621 WeakPolarHBondContact O-CB 3.39Å; S617-Q621 PolarHBondContact O-N 2.94Å
618	R	66	Low	59.6	Low	183 Å²	183	138.9 Å²	138.9	69%	0.691	61%	0.612	S	S	*	*	H	α-helix	trans	-74.1	-26	173.6	-78	-173.3	178.5	-168.1	0	114.1	S614 V615 R616	S614-R618 WeakPolarHBondContact O-CB 3.41Å; S614-R618 WeakPolarHBondContact O-CG 3.22Å; S614-R618 PolarHBondContact O-N 3.02Å; S614-R618 VanDerWaalsContact O-N 3.16Å; V615-R618 PolarHBondContact O-N 2.65Å; R616-R618 VanDerWaalsContact C-N 3.27Å; R616-R618 PolarHBondContact O-N 2.75Å
619	F	63.6	Low	60.6	Low	164 Å²	164	139.3 Å²	139.3	72%	0.719	61%	0.614	S	S	*	*	H	α-helix	trans	-82.6	-34.1	175	-113.3	-86.5	0	0	0	112.2	V615 R616 R622	V615-F619 PolarHBondContact O-N 3.25Å; R616-F619 PolarHBondContact O-N 2.71Å; R616-F619 VanDerWaalsContact O-N 3.11Å; F619-R622 PolarHBondContact O-N 2.99Å
620	E	69.1	Low	61.4	Low	120 Å²	120	143.1 Å²	143.1	56%	0.561	63%	0.626	S	S	*	*	H	α-helix	trans	-75	-21.3	175.3	-74.5	170.5	-174.7	0	0	112.8	R616	R616-E620 IonicContact CZ-OE1 2.91Å; R616-E620 IonicContact NE-OE1 2.66Å; R616-E620 PolarHBondContact NE-OE1 3.34Å; R616-E620 IonicContact NH2-OE1 3.59Å; R616-E620 PolarHBondContact O-N 3.27Å
621	Q	66.6	Low	62.1	Low	167 Å²	167	141.5 Å²	141.5	78%	0.78	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-3.3	171.5	-108.3	173.4	-26.5	0	0	114.7	S617	S617-Q621 WeakPolarHBondContact O-CB 3.39Å; S617-Q621 PolarHBondContact O-N 2.94Å
622	R	62.5	Low	62.8	Low	233 Å²	233	146.8 Å²	146.8	88%	0.879	65%	0.645	S	S	*	*			trans	-113.8	2.6	178.1	-81	-172.5	175.5	-167.9	-1.8	113.7	F619	F619-R622 PolarHBondContact O-N 2.99Å
623	R	48.3	Very low	63.2	Low	290 Å²	290	154.8 Å²	154.8	100%	1.094	67%	0.667	S	S	*	*			trans	-104.6	0	163.6	-112.7	-175.8	-172.2	178.9	1.9	107.8

Retrieved 623 of 623 residues in 1054.5 ms (Link to these results)

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