A0A077Z3I2_TRITR Loading...

DUF3523 and AAA domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3I2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 604 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	38.9	Very low	41.6	Very low	242 Å²	242	158.2 Å²	158.2	100%	1.192	86%	0.86	S	S	*	*				0	43.2	0	-69.3	-71.2	-97.2	0	0	111.2
2	S	37.7	Very low	41.2	Very low	116 Å²	116	156.1 Å²	156.1	81%	0.811	86%	0.856	S	S	*	*			trans	-110.6	45.9	-162.4	56.2	0	0	0	0	113.7
3	W	45.7	Very low	40.9	Very low	241 Å²	241	153.4 Å²	153.4	91%	0.913	85%	0.851	S	S	*	*			trans	-129	15.9	-169	-119.4	65.7	0	0	0	116.3
4	L	48	Very low	40.7	Very low	167 Å²	167	154.6 Å²	154.6	87%	0.874	85%	0.853	S	S	*	*			trans	-115.7	3.9	-171.9	-116.4	95.3	0	0	0	117.8
5	F	45.3	Very low	40.7	Very low	203 Å²	203	150.7 Å²	150.7	89%	0.89	85%	0.849	S	S	*	*			trans	-106.5	87.7	176.3	-70.6	-73.3	0	0	0	111.7
6	G	40.4	Very low	40.6	Very low	81 Å²	81	145.8 Å²	145.8	84%	0.835	84%	0.842	S	S	*	*			trans	-100.3	89	171.2	0	0	0	0	0	111.7
7	I	42.3	Very low	40.6	Very low	147 Å²	147	148 Å²	148	75%	0.754	85%	0.846	S	S	*	*			trans	-82.8	119.8	170.3	-65.6	169	0	0	0	108.1
8	K	42.9	Very low	41.3	Very low	206 Å²	206	146.3 Å²	146.3	90%	0.896	84%	0.841	S	S	*	*			trans	-120	107.7	163.9	-107.7	-177.1	178.4	180	0	108.8
9	S	37.6	Very low	42.2	Very low	101 Å²	101	144.7 Å²	144.7	71%	0.706	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-81.1	130.5	167.1	-36.9	0	0	0	0	108.8
10	P	40.9	Very low	43.1	Very low	121 Å²	121	143.2 Å²	143.2	79%	0.786	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-88.9	116.4	164.3	29.9	-23.9	0	0	0	109.5
11	S	37.5	Very low	43.3	Very low	115 Å²	115	142.5 Å²	142.5	80%	0.804	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-75.8	118.8	163.3	50	0	0	0	0	109.5
12	T	36.8	Very low	43.3	Very low	133 Å²	133	134.5 Å²	134.5	82%	0.816	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-96.8	124.1	164.8	30.4	0	0	0	0	109.8
13	P	37.9	Very low	43.5	Very low	121 Å²	121	136.6 Å²	136.6	79%	0.786	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-77.8	141.4	169.5	30.6	-29	0	0	0	110.1	A15	P13-A15 PolarHBondContact O-N 3.48Å
14	I	38.5	Very low	42.9	Very low	171 Å²	171	129.1 Å²	129.1	88%	0.877	81%	0.811	S	S	*	*			trans	-64.9	113.1	172.4	-66.1	166.3	0	0	0	107.7
15	A	40.5	Very low	42.7	Very low	96 Å²	96	127.7 Å²	127.7	79%	0.793	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-74	130.3	172.4	0	0	0	0	0	109.8	P13	P13-A15 PolarHBondContact O-N 3.48Å
16	G	38.6	Very low	42.4	Very low	72 Å²	72	121.4 Å²	121.4	74%	0.742	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-69.2	154.9	-179.7	0	0	0	0	0	113.7
17	M	41.6	Very low	42.1	Very low	183 Å²	183	121.4 Å²	121.4	90%	0.901	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-54	141.2	169.1	-77.8	170.3	164.3	0	0	111.7
18	P	52.8	Low	42	Very low	117 Å²	117	122.2 Å²	122.2	76%	0.76	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-78.9	144.3	165.9	32.8	-29.8	0	0	0	110.2
19	P	58.4	Low	41.7	Very low	116 Å²	116	120 Å²	120	75%	0.753	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-72.9	155.7	166.1	30.7	-31.6	0	0	0	110.9
20	P	59.2	Low	42	Very low	115 Å²	115	124.6 Å²	124.6	75%	0.747	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-67.9	158.4	-177.2	28.9	-34.2	0	0	0	112.3	G22	P20-G22 PolarHBondContact O-N 3.35Å
21	P	47	Very low	42.2	Very low	129 Å²	129	121.5 Å²	121.5	84%	0.838	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-69.5	124.2	-173.4	28.2	-31.5	0	0	0	110.6
22	G	39.2	Very low	42.8	Very low	74 Å²	74	121.7 Å²	121.7	76%	0.763	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-81.3	130.5	166.9	0	0	0	0	0	109.9	P20 G24	P20-G22 PolarHBondContact O-N 3.35Å; G22-G24 PolarHBondContact O-N 3.32Å
23	D	41.7	Very low	43.2	Very low	160 Å²	160	121.2 Å²	121.2	86%	0.856	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-54.4	121	175.7	-72.2	-50.5	0	0	0	111.3	V25	D23-V25 PolarHBondContact O-N 3.43Å
24	G	34.2	Very low	43.5	Very low	83 Å²	83	121.9 Å²	121.9	86%	0.856	80%	0.797	S	S	*	*			trans	-78.2	105.5	166.9	0	0	0	0	0	109.5	G22	G22-G24 PolarHBondContact O-N 3.32Å
25	V	42.9	Very low	43.7	Very low	138 Å²	138	119 Å²	119	84%	0.836	79%	0.792	S	S	*	*			trans	-109.8	128.4	157.5	176.2	0	0	0	0	107.1	D23	D23-V25 PolarHBondContact O-N 3.43Å
26	G	38.7	Very low	44.2	Very low	71 Å²	71	118.6 Å²	118.6	73%	0.732	78%	0.783	S	S	*	*			trans	-54.3	142.1	-169.2	0	0	0	0	0	113.6
27	G	35	Very low	44.4	Very low	81 Å²	81	124.3 Å²	124.3	84%	0.835	78%	0.783	S	S	*	*			trans	-65	134.5	168.5	0	0	0	0	0	110.8
28	D	40.7	Very low	44.4	Very low	163 Å²	163	123.5 Å²	123.5	87%	0.872	78%	0.779	S	S	*	*			trans	-118.5	112.1	144.3	-121.4	-14.5	0	0	0	106.1	K30	D28-K30 PolarHBondContact O-N 3.46Å
29	D	36.8	Very low	44	Very low	160 Å²	160	124.6 Å²	124.6	86%	0.856	77%	0.774	S	S	*	*			trans	-72.7	102.3	-176.3	-136	-15.3	0	0	0	108.3
30	K	43.8	Very low	43.6	Very low	198 Å²	198	130.1 Å²	130.1	86%	0.861	78%	0.781	S	S	*	*			trans	-125.9	86.8	160.7	-76.4	-170.2	-179.7	176.4	0	107.9	D28	D28-K30 PolarHBondContact O-N 3.46Å
31	G	44	Very low	43.3	Very low	55 Å²	55	128.7 Å²	128.7	57%	0.567	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-52.1	148.8	168.4	0	0	0	0	0	111.2
32	P	49.9	Very low	43.8	Very low	120 Å²	120	130.2 Å²	130.2	78%	0.779	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-62.3	137.8	-177.5	26.7	-30.8	0	0	0	109	D34	P32-D34 PolarHBondContact O-N 3.35Å; P32-D34 VanDerWaalsContact O-N 3.16Å
33	P	47.2	Very low	45	Very low	123 Å²	123	131 Å²	131	80%	0.799	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-62.5	125.3	173.7	26.3	-30.6	0	0	0	108.2	S35	P33-S35 PolarHBondContact O-N 3.5Å
34	D	42.9	Very low	46.8	Very low	135 Å²	135	126.8 Å²	126.8	72%	0.722	74%	0.743	S	S	*	*			trans	-48.6	108	175.3	-162.2	-12.5	0	0	0	109.8	P32 S36	P32-D34 PolarHBondContact O-N 3.35Å; P32-D34 VanDerWaalsContact O-N 3.16Å; D34-S36 VanDerWaalsContact CG-OG 3.3Å; D34-S36 PolarHBondContact O-N 3.03Å; D34-S36 VanDerWaalsContact O-N 3.07Å; D34-S36 PolarHBondContact OD1-OG 3.47Å
35	S	43.8	Very low	48.9	Very low	109 Å²	109	125 Å²	125	76%	0.762	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	17.4	-174.8	54.7	0	0	0	0	113.3	P33	P33-S35 PolarHBondContact O-N 3.5Å
36	S	50.2	Low	50.6	Low	88 Å²	88	120.1 Å²	120.1	62%	0.615	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	1.6	-171.6	64.5	0	0	0	0	115.4	D34	D34-S36 VanDerWaalsContact CG-OG 3.3Å; D34-S36 PolarHBondContact O-N 3.03Å; D34-S36 VanDerWaalsContact O-N 3.07Å; D34-S36 PolarHBondContact OD1-OG 3.47Å
37	R	43.2	Very low	52.4	Low	193 Å²	193	121 Å²	121	73%	0.728	68%	0.681	S	S	*	*			trans	-125.7	68.4	166.8	-78.9	174.8	85.3	151.4	1	111.6	Q39	R37-Q39 VanDerWaalsContact NH2-NE2 3.15Å; R37-Q39 PolarHBondContact O-N 3.4Å
38	M	41.4	Very low	54.6	Low	165 Å²	165	123.8 Å²	123.8	81%	0.813	67%	0.673	S	S	*	*			trans	-65.9	80.7	149.6	-101	-178.1	-83.6	0	0	107.6	Y40	M38-Y40 PolarHBondContact O-N 3.49Å; M38-Y40 VanDerWaalsContact O-N 3.16Å
39	Q	43.3	Very low	56.5	Low	141 Å²	141	123.6 Å²	123.6	66%	0.659	66%	0.66	S	S	*	*			trans	-65.6	112.3	161.5	-88.9	175.5	-24.5	0	0	105.9	R37 A41	R37-Q39 VanDerWaalsContact NH2-NE2 3.15Å; R37-Q39 PolarHBondContact O-N 3.4Å; Q39-A41 PolarHBondContact O-N 3.34Å
40	Y	50.1	Low	58.5	Low	231 Å²	231	118.6 Å²	118.6	91%	0.906	64%	0.641	S	S	*	*			trans	-55.3	72.9	158.2	-74.6	-98.6	0	0	0	108.5	M38 F42	M38-Y40 PolarHBondContact O-N 3.49Å; M38-Y40 VanDerWaalsContact O-N 3.16Å; Y40-F42 PolarHBondContact O-N 3.49Å
41	A	53.9	Low	60.2	Low	85 Å²	85	111.4 Å²	111.4	70%	0.702	62%	0.618	S	S	*	*			trans	-71.6	95.4	159.9	0	0	0	0	0	104.4	Q39 D43	Q39-A41 PolarHBondContact O-N 3.34Å; A41-D43 PolarHBondContact O-N 3.39Å
42	F	57.3	Low	62	Low	162 Å²	162	112.1 Å²	112.1	71%	0.711	61%	0.612	S	S	*	*			trans	-58.9	95.3	167.3	-177.1	-94.6	0	0	0	106.2	Y40 S44 L47	Y40-F42 PolarHBondContact O-N 3.49Å; F42-S44 PolarHBondContact O-N 3.26Å; F42-L47 HydrophobicContact CD1-CD1 4.24Å; F42-L47 HydrophobicContact CD2-CD1 3.82Å; F42-L47 HydrophobicContact CE1-CD1 3.6Å; F42-L47 HydrophobicContact CE2-CD1 3.11Å; F42-L47 HydrophobicContact CG-CD1 4.36Å; F42-L47 HydrophobicContact CZ-CD1 3.02Å; F42-L47 HydrophobicContact CZ-CG 4.45Å
43	D	65.2	Low	63.5	Low	90 Å²	90	108.5 Å²	108.5	48%	0.481	59%	0.591	S	S	.	*			trans	-73.3	83	-177.3	-159	10.2	0	0	0	106.2	A41 A45 A46 L47	A41-D43 PolarHBondContact O-N 3.39Å; D43-A45 PolarHBondContact O-N 3.31Å; D43-A45 VanDerWaalsContact O-N 3.11Å; D43-A46 HydrophobicContact CB-CB 3.79Å; D43-A46 WeakPolarHBondContact O-CA 3.46Å; D43-A46 WeakPolarHBondContact O-CB 3.35Å; D43-A46 PolarHBondContact O-N 2.74Å; D43-L47 PolarHBondContact O-N 3.45Å
44	S	77.6	Confident	65	Low	72 Å²	72	105 Å²	105	50%	0.503	57%	0.573	S	S	.	*	H	α-helix	trans	-55.7	-29	-179.1	57.3	0	0	0	0	110.6	F42 L47 E48	F42-S44 PolarHBondContact O-N 3.26Å; S44-L47 PolarHBondContact O-N 3.47Å; S44-E48 WeakPolarHBondContact O-CB 3.44Å; S44-E48 PolarHBondContact O-N 3.48Å
45	A	79.1	Confident	66.7	Low	44 Å²	44	106.7 Å²	106.7	36%	0.364	57%	0.569	S	S	.	*	H	α-helix	trans	-70.1	-34.6	172.1	0	0	0	0	0	113.4	D43 R49	D43-A45 PolarHBondContact O-N 3.31Å; D43-A45 VanDerWaalsContact O-N 3.11Å; A45-R49 WeakPolarHBondContact O-CB 3.43Å; A45-R49 VanDerWaalsContact O-CG 3.24Å; A45-R49 WeakPolarHBondContact O-CG 3.44Å; A45-R49 PolarHBondContact O-N 3.43Å; A45-R49 PolarHBondContact O-NE 3.04Å
46	A	77.9	Confident	68.4	Low	37 Å²	37	108.2 Å²	108.2	31%	0.306	56%	0.564	S	S	.	*	H	α-helix	trans	-71.2	-38.1	172.5	0	0	0	0	0	111.2	D43 R49 A50	D43-A46 HydrophobicContact CB-CB 3.79Å; D43-A46 WeakPolarHBondContact O-CA 3.46Å; D43-A46 WeakPolarHBondContact O-CB 3.35Å; D43-A46 PolarHBondContact O-N 2.74Å; A46-R49 PolarHBondContact O-N 3.35Å; A46-A50 VanDerWaalsContact O-CB 3.27Å; A46-A50 WeakPolarHBondContact O-CB 3.27Å; A46-A50 PolarHBondContact O-N 3.3Å
47	L	78.2	Confident	69.5	Low	89 Å²	89	107.8 Å²	107.8	47%	0.466	55%	0.554	S	S	.	*	H	α-helix	trans	-69.3	-38.1	174.3	-91.7	163.1	0	0	0	112.9	F42 D43 S44 A50 A51	F42-L47 HydrophobicContact CD1-CD1 4.24Å; F42-L47 HydrophobicContact CD2-CD1 3.82Å; F42-L47 HydrophobicContact CE1-CD1 3.6Å; F42-L47 HydrophobicContact CE2-CD1 3.11Å; F42-L47 HydrophobicContact CG-CD1 4.36Å; F42-L47 HydrophobicContact CZ-CD1 3.02Å; F42-L47 HydrophobicContact CZ-CG 4.45Å; D43-L47 PolarHBondContact O-N 3.45Å; S44-L47 PolarHBondContact O-N 3.47Å; L47-A50 PolarHBondContact O-N 3.29Å; L47-A51 WeakPolarHBondContact O-CB 3.39Å; L47-A51 PolarHBondContact O-N 3.4Å
48	E	80.7	Confident	71	Confident	140 Å²	140	106.3 Å²	106.3	65%	0.654	56%	0.556	S	S	*	*	H	α-helix	trans	-63.5	-45.2	171	-87.1	-171.7	151.4	0	0	111	S44 A50 A51 T52	S44-E48 WeakPolarHBondContact O-CB 3.44Å; S44-E48 PolarHBondContact O-N 3.48Å; E48-A50 VanDerWaalsContact C-N 3.33Å; E48-A50 PolarHBondContact O-N 3.37Å; E48-A51 PolarHBondContact O-N 3.43Å; E48-T52 WeakPolarHBondContact O-CG2 3.46Å; E48-T52 PolarHBondContact O-N 3.18Å; E48-T52 PolarHBondContact O-OG1 3.04Å; E48-T52 VanDerWaalsContact O-OG1 3.07Å
49	R	79.9	Confident	72.8	Confident	159 Å²	159	107.4 Å²	107.4	60%	0.6	56%	0.556	S	S	*	*	H	α-helix	trans	-61.3	-40.9	175	-77.3	-177.5	-68.5	161.9	-3.2	112.3	A45 A46 T52 A53	A45-R49 WeakPolarHBondContact O-CB 3.43Å; A45-R49 VanDerWaalsContact O-CG 3.24Å; A45-R49 WeakPolarHBondContact O-CG 3.44Å; A45-R49 PolarHBondContact O-N 3.43Å; A45-R49 PolarHBondContact O-NE 3.04Å; A46-R49 PolarHBondContact O-N 3.35Å; R49-T52 WeakPolarHBondContact CA-OG1 3.45Å; R49-T52 PolarHBondContact O-OG1 3.43Å; R49-A53 WeakPolarHBondContact O-CB 3.3Å; R49-A53 PolarHBondContact O-N 3.28Å
50	A	79.3	Confident	74.5	Confident	55 Å²	55	102.9 Å²	102.9	46%	0.455	54%	0.54	S	S	.	.	H	α-helix	trans	-67.5	-38.5	175.8	0	0	0	0	0	111.3	A46 L47 E48 A54	A46-A50 VanDerWaalsContact O-CB 3.27Å; A46-A50 WeakPolarHBondContact O-CB 3.27Å; A46-A50 PolarHBondContact O-N 3.3Å; L47-A50 PolarHBondContact O-N 3.29Å; E48-A50 VanDerWaalsContact C-N 3.33Å; E48-A50 PolarHBondContact O-N 3.37Å; A50-A54 WeakPolarHBondContact O-CB 3.3Å; A50-A54 PolarHBondContact O-N 2.96Å
51	A	79.4	Confident	75.8	Confident	47 Å²	47	97.6 Å²	97.6	39%	0.388	54%	0.537	S	S	.	.	H	α-helix	trans	-71.1	-39.3	177.7	0	0	0	0	0	112.3	L47 E48 A54 R55	L47-A51 WeakPolarHBondContact O-CB 3.39Å; L47-A51 PolarHBondContact O-N 3.4Å; E48-A51 PolarHBondContact O-N 3.43Å; A51-A54 PolarHBondContact O-N 3.42Å; A51-R55 WeakPolarHBondContact O-CB 3.44Å; A51-R55 WeakPolarHBondContact O-CG 3.39Å; A51-R55 PolarHBondContact O-N 3.43Å
52	T	82.2	Confident	77.1	Confident	70 Å²	70	98.8 Å²	98.8	43%	0.429	53%	0.527	S	S	.	.	H	α-helix	trans	-66.5	-44.6	172.6	53.7	0	0	0	0	110.6	E48 R49 A54 R55 E56	E48-T52 WeakPolarHBondContact O-CG2 3.46Å; E48-T52 PolarHBondContact O-N 3.18Å; E48-T52 PolarHBondContact O-OG1 3.04Å; E48-T52 VanDerWaalsContact O-OG1 3.07Å; R49-T52 WeakPolarHBondContact CA-OG1 3.45Å; R49-T52 PolarHBondContact O-OG1 3.43Å; T52-A54 VanDerWaalsContact C-N 3.32Å; T52-A54 PolarHBondContact O-N 3.35Å; T52-R55 PolarHBondContact O-N 3.36Å; T52-E56 WeakPolarHBondContact O-CB 3.3Å; T52-E56 WeakPolarHBondContact O-CG 3.31Å; T52-E56 PolarHBondContact O-N 3.35Å
53	A	81.1	Confident	78	Confident	43 Å²	43	92.6 Å²	92.6	36%	0.355	51%	0.507	S	S	.	.	H	α-helix	trans	-61.9	-38.6	175	0	0	0	0	0	112.1	R49 E56 L57	R49-A53 WeakPolarHBondContact O-CB 3.3Å; R49-A53 PolarHBondContact O-N 3.28Å; A53-E56 PolarHBondContact O-N 3.3Å; A53-L57 WeakPolarHBondContact O-CB 3.49Å; A53-L57 WeakPolarHBondContact O-CG 3.41Å; A53-L57 PolarHBondContact O-N 3.39Å
54	A	77.9	Confident	78.9	Confident	49 Å²	49	96.9 Å²	96.9	41%	0.405	52%	0.521	S	S	.	.	H	α-helix	trans	-65.1	-43	175	0	0	0	0	0	111.9	A50 A51 T52 L57 E58	A50-A54 WeakPolarHBondContact O-CB 3.3Å; A50-A54 PolarHBondContact O-N 2.96Å; A51-A54 PolarHBondContact O-N 3.42Å; T52-A54 VanDerWaalsContact C-N 3.32Å; T52-A54 PolarHBondContact O-N 3.35Å; A54-L57 WeakPolarHBondContact O-CB 3.45Å; A54-L57 PolarHBondContact O-N 3.48Å; A54-E58 PolarHBondContact O-N 3.49Å
55	R	79.6	Confident	79.3	Confident	172 Å²	172	98.9 Å²	98.9	65%	0.649	52%	0.522	S	S	*	.	H	α-helix	trans	-66.8	-35.6	175.6	-74.7	176.8	179.4	167.8	1.9	112.8	A51 T52 K59	A51-R55 WeakPolarHBondContact O-CB 3.44Å; A51-R55 WeakPolarHBondContact O-CG 3.39Å; A51-R55 PolarHBondContact O-N 3.43Å; T52-R55 PolarHBondContact O-N 3.36Å; R55-K59 WeakPolarHBondContact O-CG 3.28Å; R55-K59 PolarHBondContact O-N 3.4Å
56	E	79.3	Confident	79.5	Confident	140 Å²	140	98.5 Å²	98.5	65%	0.654	52%	0.519	S	S	*	.	H	α-helix	trans	-68.6	-39.9	173.9	-75.7	177.4	176.6	0	0	111.4	T52 A53 K59 S60	T52-E56 WeakPolarHBondContact O-CB 3.3Å; T52-E56 WeakPolarHBondContact O-CG 3.31Å; T52-E56 PolarHBondContact O-N 3.35Å; A53-E56 PolarHBondContact O-N 3.3Å; E56-K59 PolarHBondContact O-N 3.31Å; E56-S60 PolarHBondContact O-N 3.47Å
57	L	73.1	Confident	79.8	Confident	79 Å²	79	102.6 Å²	102.6	41%	0.414	54%	0.535	S	S	.	.	H	α-helix	trans	-61.5	-44.6	172.9	-88	162.8	0	0	0	111.7	A53 A54 K59 S60 A63 A66	A53-L57 WeakPolarHBondContact O-CB 3.49Å; A53-L57 WeakPolarHBondContact O-CG 3.41Å; A53-L57 PolarHBondContact O-N 3.39Å; A54-L57 WeakPolarHBondContact O-CB 3.45Å; A54-L57 PolarHBondContact O-N 3.48Å; L57-K59 VanDerWaalsContact C-N 3.28Å; L57-K59 PolarHBondContact O-N 3.4Å; L57-S60 WeakPolarHBondContact O-CB 3.38Å; L57-S60 PolarHBondContact O-N 2.95Å; L57-S60 VanDerWaalsContact O-N 3.08Å; L57-S60 PolarHBondContact O-OG 3.37Å; L57-A63 WeakPolarHBondContact O-CB 3.4Å; L57-A66 HydrophobicContact CD2-CB 3.39Å
58	E	75.2	Confident	80.2	Confident	163 Å²	163	104.5 Å²	104.5	76%	0.762	54%	0.542	S	S	*	.	H	α-helix	trans	-63	-30.6	177.7	-78.7	-172.8	164.8	0	0	113.7	A54 S60	A54-E58 PolarHBondContact O-N 3.49Å; E58-S60 VanDerWaalsContact C-N 3.31Å
59	K	78.3	Confident	80.6	Confident	188 Å²	188	103.5 Å²	103.5	82%	0.817	54%	0.54	S	S	*	.	H	α-helix	trans	-77.1	-18.1	175.4	-72.8	177.5	-178.1	179	0	113.2	R55 E56 L57	R55-K59 WeakPolarHBondContact O-CG 3.28Å; R55-K59 PolarHBondContact O-N 3.4Å; E56-K59 PolarHBondContact O-N 3.31Å; L57-K59 VanDerWaalsContact C-N 3.28Å; L57-K59 PolarHBondContact O-N 3.4Å
60	S	79.4	Confident	80.9	Confident	46 Å²	46	99.3 Å²	99.3	32%	0.322	54%	0.535	S	S	.	.	S	Bend	trans	-80	141.7	-177.3	79	0	0	0	0	111.6	E56 L57 E58 H62 A63	E56-S60 PolarHBondContact O-N 3.47Å; L57-S60 WeakPolarHBondContact O-CB 3.38Å; L57-S60 PolarHBondContact O-N 2.95Å; L57-S60 VanDerWaalsContact O-N 3.08Å; L57-S60 PolarHBondContact O-OG 3.37Å; E58-S60 VanDerWaalsContact C-N 3.31Å; S60-H62 PolarHBondContact O-N 3.19Å; S60-H62 VanDerWaalsContact O-N 3.12Å; S60-A63 PolarHBondContact O-N 3.29Å; S60-A63 PolarHBondContact OG-N 3.31Å
61	S	77.9	Confident	81.4	Confident	119 Å²	119	103 Å²	103	83%	0.832	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.9	173.9	-172	0	0	0	0	113.1
62	H	79.5	Confident	82	Confident	110 Å²	110	106.3 Å²	106.3	51%	0.509	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.7	17.1	-173.3	-60.7	-78.9	0	0	0	113.7	S60 K64 E65 A66	S60-H62 PolarHBondContact O-N 3.19Å; S60-H62 VanDerWaalsContact O-N 3.12Å; H62-K64 PolarHBondContact O-N 3.46Å; H62-E65 IonicContact CE1-OE2 2.72Å; H62-E65 IonicContact CG-OE2 3.36Å; H62-E65 IonicContact ND1-OE2 2.72Å; H62-E65 PolarHBondContact ND1-OE2 3.29Å; H62-E65 PolarHBondContact O-N 3.49Å; H62-A66 PolarHBondContact O-N 3.07Å
63	A	78	Confident	82.3	Confident	33 Å²	33	108.5 Å²	108.5	27%	0.273	56%	0.555	S	S	.	*	H	α-helix	trans	-50.2	-38	-176.9	0	0	0	0	0	113.7	L57 S60 L67	L57-A63 WeakPolarHBondContact O-CB 3.4Å; S60-A63 PolarHBondContact O-N 3.29Å; S60-A63 PolarHBondContact OG-N 3.31Å; A63-L67 PolarHBondContact O-N 3.12Å
64	K	82.4	Confident	82.7	Confident	179 Å²	179	110.7 Å²	110.7	78%	0.778	56%	0.558	S	S	*	*	H	α-helix	trans	-67.6	-44.4	179.9	-67.1	-176.8	179.4	179	0	112.6	H62 L67 E68	H62-K64 PolarHBondContact O-N 3.46Å; K64-L67 PolarHBondContact O-N 3.36Å; K64-E68 PolarHBondContact O-N 2.92Å
65	E	86.1	Confident	83.4	Confident	115 Å²	115	112.7 Å²	112.7	54%	0.537	56%	0.559	S	S	.	*	H	α-helix	trans	-67.2	-39.6	-178.7	-65.7	170.4	174.1	0	0	111.2	H62 E68 L69	H62-E65 IonicContact CE1-OE2 2.72Å; H62-E65 IonicContact CG-OE2 3.36Å; H62-E65 IonicContact ND1-OE2 2.72Å; H62-E65 PolarHBondContact ND1-OE2 3.29Å; H62-E65 PolarHBondContact O-N 3.49Å; E65-E68 PolarHBondContact O-N 3.23Å; E65-L69 WeakPolarHBondContact O-CG 3.26Å; E65-L69 PolarHBondContact O-N 3.43Å
66	A	83.3	Confident	83.9	Confident	36 Å²	36	108 Å²	108	30%	0.298	55%	0.55	S	S	.	*	H	α-helix	trans	-65.5	-39.1	176.7	0	0	0	0	0	112.6	L57 H62 L69 S70	L57-A66 HydrophobicContact CD2-CB 3.39Å; H62-A66 PolarHBondContact O-N 3.07Å; A66-L69 PolarHBondContact O-N 2.88Å; A66-S70 PolarHBondContact O-N 3.26Å
67	L	84.7	Confident	84.5	Confident	122 Å²	122	107.8 Å²	107.8	64%	0.639	54%	0.543	S	S	*	.	H	α-helix	trans	-66.4	-39.5	175.5	-171.7	146.9	0	0	0	111.5	A63 K64 S70 K71	A63-L67 PolarHBondContact O-N 3.12Å; K64-L67 PolarHBondContact O-N 3.36Å; L67-S70 PolarHBondContact O-N 3.26Å; L67-K71 WeakPolarHBondContact O-CB 3.5Å; L67-K71 PolarHBondContact O-N 3.08Å
68	E	87.8	Confident	85.3	Confident	130 Å²	130	109.4 Å²	109.4	61%	0.607	55%	0.549	S	S	*	.	H	α-helix	trans	-63.6	-43.4	174.1	-76.4	-175.5	174.1	0	0	112.3	K64 E65 S70 K71 M72	K64-E68 PolarHBondContact O-N 2.92Å; E65-E68 PolarHBondContact O-N 3.23Å; E68-S70 VanDerWaalsContact C-N 3.35Å; E68-S70 PolarHBondContact O-N 3.22Å; E68-K71 PolarHBondContact O-N 3.26Å; E68-M72 WeakPolarHBondContact O-CG 3.36Å; E68-M72 PolarHBondContact O-N 3.21Å
69	L	87.7	Confident	86.1	Confident	118 Å²	118	107 Å²	107	62%	0.618	54%	0.54	S	S	*	.	H	α-helix	trans	-61.4	-41.7	174.8	-75.1	175.8	0	0	0	112.4	E65 A66 K71 M72 Q73	E65-L69 WeakPolarHBondContact O-CG 3.26Å; E65-L69 PolarHBondContact O-N 3.43Å; A66-L69 PolarHBondContact O-N 2.88Å; L69-K71 VanDerWaalsContact C-N 3.35Å; L69-M72 PolarHBondContact O-N 3.39Å; L69-Q73 WeakPolarHBondContact O-CG 3.5Å; L69-Q73 PolarHBondContact O-N 3.41Å
70	S	85.8	Confident	86.8	Confident	72 Å²	72	103 Å²	103	50%	0.503	53%	0.525	S	S	.	.	H	α-helix	trans	-63.1	-41.8	175.6	-178.9	0	0	0	0	111.6	A66 L67 E68 M72 Q73 E74	A66-S70 PolarHBondContact O-N 3.26Å; L67-S70 PolarHBondContact O-N 3.26Å; E68-S70 VanDerWaalsContact C-N 3.35Å; E68-S70 PolarHBondContact O-N 3.22Å; S70-M72 PolarHBondContact O-N 3Å; S70-Q73 PolarHBondContact O-N 3.34Å; S70-E74 PolarHBondContact O-N 3.33Å
71	K	90.5	Very high	87.3	Confident	133 Å²	133	107.5 Å²	107.5	58%	0.578	54%	0.539	S	S	*	.	H	α-helix	trans	-63.1	-41.9	175.8	-168.3	178.4	-178.3	-179.3	0	112	L67 E68 L69 E74 Q75	L67-K71 WeakPolarHBondContact O-CB 3.5Å; L67-K71 PolarHBondContact O-N 3.08Å; E68-K71 PolarHBondContact O-N 3.26Å; L69-K71 VanDerWaalsContact C-N 3.35Å; K71-E74 PolarHBondContact O-N 3.32Å; K71-Q75 WeakPolarHBondContact O-CG 3.35Å; K71-Q75 PolarHBondContact O-N 3.01Å; K71-Q75 VanDerWaalsContact O-N 3.09Å
72	M	91.4	Very high	88	Confident	116 Å²	116	106.8 Å²	106.8	57%	0.571	52%	0.522	S	S	*	.	H	α-helix	trans	-64.5	-43.3	176	-71.6	-65.8	-69.8	0	0	111.8	E68 L69 S70 E74 Q75 T76	E68-M72 WeakPolarHBondContact O-CG 3.36Å; E68-M72 PolarHBondContact O-N 3.21Å; L69-M72 PolarHBondContact O-N 3.39Å; S70-M72 PolarHBondContact O-N 3Å; M72-E74 PolarHBondContact O-N 3.04Å; M72-Q75 WeakPolarHBondContact O-CB 3.47Å; M72-Q75 PolarHBondContact O-N 2.99Å; M72-T76 PolarHBondContact O-N 3.02Å; M72-T76 PolarHBondContact O-OG1 3.41Å
73	Q	89.5	Confident	88.5	Confident	115 Å²	115	104.6 Å²	104.6	54%	0.537	52%	0.519	S	S	.	.	H	α-helix	trans	-62	-39.7	176.3	-77.3	-179.5	-6	0	0	113	L69 S70 Q75 T76 R77	L69-Q73 WeakPolarHBondContact O-CG 3.5Å; L69-Q73 PolarHBondContact O-N 3.41Å; S70-Q73 PolarHBondContact O-N 3.34Å; Q73-Q75 VanDerWaalsContact C-N 3.35Å; Q73-T76 WeakPolarHBondContact CA-OG1 3.44Å; Q73-T76 PolarHBondContact O-N 3.3Å; Q73-T76 PolarHBondContact O-OG1 3.41Å; Q73-R77 PolarHBondContact O-N 3.29Å
74	E	89.7	Confident	89.2	Confident	90 Å²	90	109.3 Å²	109.3	42%	0.421	53%	0.533	S	S	.	.	H	α-helix	trans	-69.4	-35.6	178.3	-157.4	64.5	-168.8	0	0	111.4	S70 K71 M72 R77 Q78	S70-E74 PolarHBondContact O-N 3.33Å; K71-E74 PolarHBondContact O-N 3.32Å; M72-E74 PolarHBondContact O-N 3.04Å; E74-R77 PolarHBondContact O-N 3.35Å; E74-R77 IonicContact OE2-CZ 2.88Å; E74-R77 IonicContact OE2-NH1 3.62Å; E74-R77 PolarHBondContact OE2-NH1 2.98Å; E74-Q78 WeakPolarHBondContact O-CG 3.38Å; E74-Q78 PolarHBondContact O-N 3.01Å
75	Q	91.6	Very high	89.7	Confident	90 Å²	90	105.1 Å²	105.1	42%	0.421	52%	0.519	S	S	.	.	H	α-helix	trans	-63.3	-41.9	171	-74.3	179.7	-12.1	0	0	112.3	K71 M72 Q73 R77 Q78 L79	K71-Q75 WeakPolarHBondContact O-CG 3.35Å; K71-Q75 PolarHBondContact O-N 3.01Å; K71-Q75 VanDerWaalsContact O-N 3.09Å; M72-Q75 WeakPolarHBondContact O-CB 3.47Å; M72-Q75 PolarHBondContact O-N 2.99Å; Q73-Q75 VanDerWaalsContact C-N 3.35Å; Q75-R77 PolarHBondContact O-N 2.95Å; Q75-Q78 PolarHBondContact O-N 3.25Å; Q75-L79 WeakPolarHBondContact O-CG 3.39Å; Q75-L79 PolarHBondContact O-N 3.02Å
76	T	91.6	Very high	90.1	Very high	75 Å²	75	106.2 Å²	106.2	46%	0.46	52%	0.522	S	S	.	.	H	α-helix	trans	-62.6	-42.2	175.5	1.6	0	0	0	0	111.7	M72 Q73 Q78 L79 E80	M72-T76 PolarHBondContact O-N 3.02Å; M72-T76 PolarHBondContact O-OG1 3.41Å; Q73-T76 WeakPolarHBondContact CA-OG1 3.44Å; Q73-T76 PolarHBondContact O-N 3.3Å; Q73-T76 PolarHBondContact O-OG1 3.41Å; T76-Q78 VanDerWaalsContact C-N 3.34Å; T76-Q78 PolarHBondContact O-N 2.91Å; T76-L79 PolarHBondContact O-N 3.41Å; T76-E80 WeakPolarHBondContact O-CG 3.19Å; T76-E80 PolarHBondContact O-N 2.89Å
77	R	91.7	Very high	90.5	Very high	134 Å²	134	108.5 Å²	108.5	51%	0.506	53%	0.532	S	S	.	.	H	α-helix	trans	-61.3	-40.6	175.1	-72.8	-179.3	-167.5	160.2	-1.7	112.5	Q73 E74 Q75 L79 E80 F81	Q73-R77 PolarHBondContact O-N 3.29Å; E74-R77 PolarHBondContact O-N 3.35Å; E74-R77 IonicContact OE2-CZ 2.88Å; E74-R77 IonicContact OE2-NH1 3.62Å; E74-R77 PolarHBondContact OE2-NH1 2.98Å; Q75-R77 PolarHBondContact O-N 2.95Å; R77-L79 VanDerWaalsContact C-N 3.35Å; R77-E80 PolarHBondContact O-N 3.49Å; R77-F81 PolarHBondContact O-N 3.48Å
78	Q	89.1	Confident	90.8	Very high	114 Å²	114	106.4 Å²	106.4	53%	0.533	53%	0.527	S	S	.	.	H	α-helix	trans	-63.3	-41.3	176.5	-73.1	177.5	10.7	0	0	111.7	E74 Q75 T76 F81 Q82	E74-Q78 WeakPolarHBondContact O-CG 3.38Å; E74-Q78 PolarHBondContact O-N 3.01Å; Q75-Q78 PolarHBondContact O-N 3.25Å; T76-Q78 VanDerWaalsContact C-N 3.34Å; T76-Q78 PolarHBondContact O-N 2.91Å; Q78-F81 PolarHBondContact O-N 3.46Å; Q78-Q82 WeakPolarHBondContact O-CG 3.39Å; Q78-Q82 PolarHBondContact O-N 2.97Å
79	L	92.7	Very high	91	Very high	111 Å²	111	105.7 Å²	105.7	58%	0.581	52%	0.524	S	S	*	.	H	α-helix	trans	-65.5	-39.5	175.4	-71.2	170.7	0	0	0	112.3	Q75 T76 R77 Q82 S83	Q75-L79 WeakPolarHBondContact O-CG 3.39Å; Q75-L79 PolarHBondContact O-N 3.02Å; T76-L79 PolarHBondContact O-N 3.41Å; R77-L79 VanDerWaalsContact C-N 3.35Å; L79-Q82 PolarHBondContact O-N 3.39Å; L79-S83 WeakPolarHBondContact O-CB 3.43Å; L79-S83 PolarHBondContact O-N 3.07Å; L79-S83 PolarHBondContact O-OG 3.37Å
80	E	91.4	Very high	91.3	Very high	106 Å²	106	106.5 Å²	106.5	50%	0.495	52%	0.523	S	S	.	.	H	α-helix	trans	-64.7	-38.4	173.9	-74.5	179.9	-175.5	0	0	112.7	T76 R77 S83 K84	T76-E80 WeakPolarHBondContact O-CG 3.19Å; T76-E80 PolarHBondContact O-N 2.89Å; R77-E80 PolarHBondContact O-N 3.49Å; E80-S83 PolarHBondContact O-OG 2.94Å; E80-K84 VanDerWaalsContact O-CG 3.31Å; E80-K84 WeakPolarHBondContact O-CG 3.41Å; E80-K84 PolarHBondContact O-N 3.49Å; E80-K84 VanDerWaalsContact O-N 3.09Å
81	F	91.5	Very high	91.6	Very high	140 Å²	140	107.6 Å²	107.6	61%	0.614	52%	0.523	S	S	*	.	H	α-helix	trans	-66.6	-43.6	173.8	-99.1	-77.9	0	0	0	111.6	R77 Q78 S83 K84 I85	R77-F81 PolarHBondContact O-N 3.48Å; Q78-F81 PolarHBondContact O-N 3.46Å; F81-S83 PolarHBondContact O-N 3.01Å; F81-K84 PolarHBondContact O-N 2.96Å; F81-I85 WeakPolarHBondContact O-CG1 3.5Å; F81-I85 PolarHBondContact O-N 3.39Å
82	Q	91.6	Very high	91.7	Very high	104 Å²	104	103.6 Å²	103.6	49%	0.486	51%	0.514	S	S	.	.	H	α-helix	trans	-63.9	-38.6	176.2	-74.6	-175.2	14.1	0	0	112.5	Q78 L79 I85 K86	Q78-Q82 WeakPolarHBondContact O-CG 3.39Å; Q78-Q82 PolarHBondContact O-N 2.97Å; L79-Q82 PolarHBondContact O-N 3.39Å; Q82-I85 PolarHBondContact O-N 2.81Å; Q82-K86 WeakPolarHBondContact O-CG 3.33Å; Q82-K86 PolarHBondContact O-N 2.95Å; Q82-K86 VanDerWaalsContact O-N 3.1Å
83	S	91.3	Very high	91.9	Very high	63 Å²	63	103 Å²	103	44%	0.441	51%	0.513	S	S	.	.	H	α-helix	trans	-66.1	-40.8	177	70.4	0	0	0	0	111.5	L79 E80 F81 K86 V87	L79-S83 WeakPolarHBondContact O-CB 3.43Å; L79-S83 PolarHBondContact O-N 3.07Å; L79-S83 PolarHBondContact O-OG 3.37Å; E80-S83 PolarHBondContact O-OG 2.94Å; F81-S83 PolarHBondContact O-N 3.01Å; S83-K86 PolarHBondContact O-N 3.49Å; S83-V87 VanDerWaalsContact O-CG2 3.31Å; S83-V87 WeakPolarHBondContact O-CG2 3.39Å; S83-V87 PolarHBondContact O-N 3.04Å
84	K	92.4	Very high	92	Very high	133 Å²	133	99.8 Å²	99.8	58%	0.578	50%	0.501	S	S	*	.	H	α-helix	trans	-62.5	-42.1	174.4	-74.7	173.3	-176.9	172.3	0	113	E80 F81 V87 S88	E80-K84 VanDerWaalsContact O-CG 3.31Å; E80-K84 WeakPolarHBondContact O-CG 3.41Å; E80-K84 PolarHBondContact O-N 3.49Å; E80-K84 VanDerWaalsContact O-N 3.09Å; F81-K84 PolarHBondContact O-N 2.96Å; K84-V87 PolarHBondContact O-N 3.34Å; K84-S88 PolarHBondContact O-N 3Å
85	I	92.5	Very high	92.2	Very high	91 Å²	91	98.1 Å²	98.1	47%	0.467	50%	0.503	S	S	.	.	H	α-helix	trans	-61.1	-48.8	176.6	-68	166	0	0	0	110.2	F81 Q82 V87 S88 E89	F81-I85 WeakPolarHBondContact O-CG1 3.5Å; F81-I85 PolarHBondContact O-N 3.39Å; Q82-I85 PolarHBondContact O-N 2.81Å; I85-V87 VanDerWaalsContact C-N 3.34Å; I85-V87 PolarHBondContact O-N 3.03Å; I85-S88 PolarHBondContact O-N 3.34Å; I85-E89 HydrophobicContact CG2-CG 4.44Å; I85-E89 WeakPolarHBondContact O-CG 3.24Å; I85-E89 PolarHBondContact O-N 3.43Å
86	K	93.7	Very high	92.3	Very high	138 Å²	138	99.5 Å²	99.5	60%	0.6	51%	0.509	S	S	*	.	H	α-helix	trans	-60.8	-39.3	178.9	-73	178.9	-179.8	177.4	0	113.1	Q82 S83 E89 F90	Q82-K86 WeakPolarHBondContact O-CG 3.33Å; Q82-K86 PolarHBondContact O-N 2.95Å; Q82-K86 VanDerWaalsContact O-N 3.1Å; S83-K86 PolarHBondContact O-N 3.49Å; K86-E89 PolarHBondContact O-N 3.37Å; K86-F90 PolarHBondContact O-N 3.47Å; K86-F90 VanDerWaalsContact O-N 3.08Å
87	V	92.9	Very high	92.2	Very high	84 Å²	84	99.2 Å²	99.2	51%	0.509	51%	0.51	S	S	.	.	H	α-helix	trans	-65.3	-45.7	175.9	171.9	0	0	0	0	110.6	S83 K84 I85 E89 F90 D91	S83-V87 VanDerWaalsContact O-CG2 3.31Å; S83-V87 WeakPolarHBondContact O-CG2 3.39Å; S83-V87 PolarHBondContact O-N 3.04Å; K84-V87 PolarHBondContact O-N 3.34Å; I85-V87 VanDerWaalsContact C-N 3.34Å; I85-V87 PolarHBondContact O-N 3.03Å; V87-E89 VanDerWaalsContact C-N 3.31Å; V87-E89 PolarHBondContact O-N 2.92Å; V87-F90 PolarHBondContact O-N 3.08Å; V87-D91 PolarHBondContact O-N 3.32Å
88	S	90.7	Very high	92.3	Very high	78 Å²	78	99.2 Å²	99.2	55%	0.545	51%	0.514	S	S	.	.	H	α-helix	trans	-62	-37.1	177.5	-174.5	0	0	0	0	112.9	K84 I85 A92	K84-S88 PolarHBondContact O-N 3Å; I85-S88 PolarHBondContact O-N 3.34Å; S88-A92 WeakPolarHBondContact O-CB 3.31Å; S88-A92 PolarHBondContact O-N 3.37Å
89	E	92.2	Very high	92.5	Very high	115 Å²	115	97.2 Å²	97.2	54%	0.537	51%	0.509	S	S	.	.	H	α-helix	trans	-66.7	-42.3	175.5	-73	174	174.5	0	0	111.8	I85 K86 V87 A92 L93	I85-E89 HydrophobicContact CG2-CG 4.44Å; I85-E89 WeakPolarHBondContact O-CG 3.24Å; I85-E89 PolarHBondContact O-N 3.43Å; K86-E89 PolarHBondContact O-N 3.37Å; V87-E89 VanDerWaalsContact C-N 3.31Å; V87-E89 PolarHBondContact O-N 2.92Å; E89-A92 PolarHBondContact O-N 3.32Å; E89-L93 WeakPolarHBondContact O-CG 3.36Å; E89-L93 PolarHBondContact O-N 3Å
90	F	93.1	Very high	92.5	Very high	135 Å²	135	97.2 Å²	97.2	59%	0.592	51%	0.506	S	S	*	.	H	α-helix	trans	-65.2	-40.1	176.8	-175.7	-97	0	0	0	112.5	K86 V87 L93 T94	K86-F90 PolarHBondContact O-N 3.47Å; K86-F90 VanDerWaalsContact O-N 3.08Å; V87-F90 PolarHBondContact O-N 3.08Å; F90-L93 PolarHBondContact O-N 2.95Å; F90-T94 HydrophobicContact CD1-CG2 4.3Å; F90-T94 HydrophobicContact CE1-CG2 3.85Å; F90-T94 HydrophobicContact CZ-CG2 3.97Å; F90-T94 PolarHBondContact O-N 3.46Å; F90-T94 PolarHBondContact O-OG1 3.23Å
91	D	92.9	Very high	92.5	Very high	95 Å²	95	98.8 Å²	98.8	51%	0.508	51%	0.514	S	S	.	.	H	α-helix	trans	-65.8	-39	175.7	-72	-17.1	0	0	0	111.6	V87 T94 A95	V87-D91 PolarHBondContact O-N 3.32Å; D91-T94 WeakPolarHBondContact CA-OG1 3.14Å; D91-T94 PolarHBondContact O-OG1 3.35Å; D91-A95 WeakPolarHBondContact O-CB 3.36Å; D91-A95 PolarHBondContact O-N 3.07Å
92	A	93.5	Very high	92.5	Very high	48 Å²	48	99.4 Å²	99.4	40%	0.397	52%	0.516	S	S	.	.	H	α-helix	trans	-64.7	-42.9	174.6	0	0	0	0	0	112.2	S88 E89 A95 Q96	S88-A92 WeakPolarHBondContact O-CB 3.31Å; S88-A92 PolarHBondContact O-N 3.37Å; E89-A92 PolarHBondContact O-N 3.32Å; A92-A95 PolarHBondContact O-N 3.11Å; A92-Q96 WeakPolarHBondContact O-CG 3.44Å; A92-Q96 PolarHBondContact O-N 2.95Å
93	L	94.1	Very high	92.6	Very high	105 Å²	105	101.4 Å²	101.4	55%	0.55	52%	0.519	S	S	.	.	H	α-helix	trans	-65.3	-44.1	176.8	-74.9	170.3	0	0	0	112.1	E89 F90 A95 Q96 S97	E89-L93 WeakPolarHBondContact O-CG 3.36Å; E89-L93 PolarHBondContact O-N 3Å; F90-L93 PolarHBondContact O-N 2.95Å; L93-A95 VanDerWaalsContact C-N 3.31Å; L93-A95 PolarHBondContact O-N 3.46Å; L93-Q96 PolarHBondContact O-N 3.02Å; L93-S97 PolarHBondContact O-N 3.38Å; L93-S97 PolarHBondContact O-OG 2.86Å
94	T	92.5	Very high	92.7	Very high	46 Å²	46	101.9 Å²	101.9	28%	0.282	52%	0.52	S	S	.	.	H	α-helix	trans	-66	-33.8	176.6	46.7	0	0	0	0	112.4	F90 D91 K98	F90-T94 HydrophobicContact CD1-CG2 4.3Å; F90-T94 HydrophobicContact CE1-CG2 3.85Å; F90-T94 HydrophobicContact CZ-CG2 3.97Å; F90-T94 PolarHBondContact O-N 3.46Å; F90-T94 PolarHBondContact O-OG1 3.23Å; D91-T94 WeakPolarHBondContact CA-OG1 3.14Å; D91-T94 PolarHBondContact O-OG1 3.35Å; T94-K98 VanDerWaalsContact O-CG 3.31Å; T94-K98 WeakPolarHBondContact O-CG 3.46Å; T94-K98 PolarHBondContact O-N 3.13Å
95	A	93.2	Very high	92.7	Very high	55 Å²	55	103 Å²	103	46%	0.455	52%	0.521	S	S	.	.	H	α-helix	trans	-65.2	-42.1	172	0	0	0	0	0	112.1	D91 A92 L93 K98 V99	D91-A95 WeakPolarHBondContact O-CB 3.36Å; D91-A95 PolarHBondContact O-N 3.07Å; A92-A95 PolarHBondContact O-N 3.11Å; L93-A95 VanDerWaalsContact C-N 3.31Å; L93-A95 PolarHBondContact O-N 3.46Å; A95-K98 PolarHBondContact O-N 3.48Å; A95-V99 WeakPolarHBondContact O-CG2 3.46Å; A95-V99 PolarHBondContact O-N 3.5Å
96	Q	93.1	Very high	92.6	Very high	120 Å²	120	103.9 Å²	103.9	56%	0.561	52%	0.523	S	S	*	.	H	α-helix	trans	-63.8	-47.7	176.4	-74	-179.3	5.4	0	0	112.2	A92 L93 K98 V99 E100	A92-Q96 WeakPolarHBondContact O-CG 3.44Å; A92-Q96 PolarHBondContact O-N 2.95Å; L93-Q96 PolarHBondContact O-N 3.02Å; Q96-K98 VanDerWaalsContact C-N 3.29Å; Q96-K98 PolarHBondContact O-N 3.28Å; Q96-V99 WeakPolarHBondContact O-CB 3.47Å; Q96-V99 PolarHBondContact O-N 2.93Å; Q96-E100 PolarHBondContact O-N 2.95Å
97	S	90.8	Very high	92.5	Very high	69 Å²	69	103.2 Å²	103.2	48%	0.483	52%	0.522	S	S	.	.	H	α-helix	trans	-57.5	-40.3	177.7	-62.1	0	0	0	0	112.7	L93 V99 E100 E101	L93-S97 PolarHBondContact O-N 3.38Å; L93-S97 PolarHBondContact O-OG 2.86Å; S97-V99 VanDerWaalsContact C-N 3.31Å; S97-V99 PolarHBondContact O-N 2.95Å; S97-E100 PolarHBondContact O-N 3.41Å; S97-E101 WeakPolarHBondContact O-CG 3.47Å; S97-E101 PolarHBondContact O-N 3.45Å
98	K	93.7	Very high	92.5	Very high	133 Å²	133	104.8 Å²	104.8	58%	0.578	52%	0.524	S	S	*	.	H	α-helix	trans	-65	-31.5	176.1	-74.2	172.8	-177.9	172.6	0	113.2	T94 A95 Q96 K102	T94-K98 VanDerWaalsContact O-CG 3.31Å; T94-K98 WeakPolarHBondContact O-CG 3.46Å; T94-K98 PolarHBondContact O-N 3.13Å; A95-K98 PolarHBondContact O-N 3.48Å; Q96-K98 VanDerWaalsContact C-N 3.29Å; Q96-K98 PolarHBondContact O-N 3.28Å; K98-K102 WeakPolarHBondContact O-CG 3.46Å; K98-K102 PolarHBondContact O-N 3.43Å
99	V	92.3	Very high	92.6	Very high	72 Å²	72	108.5 Å²	108.5	44%	0.436	53%	0.526	S	S	.	.	H	α-helix	trans	-72.9	-41.3	175.7	172.7	0	0	0	0	110.5	A95 Q96 S97 K102 R103	A95-V99 WeakPolarHBondContact O-CG2 3.46Å; A95-V99 PolarHBondContact O-N 3.5Å; Q96-V99 WeakPolarHBondContact O-CB 3.47Å; Q96-V99 PolarHBondContact O-N 2.93Å; S97-V99 VanDerWaalsContact C-N 3.31Å; S97-V99 PolarHBondContact O-N 2.95Å; V99-K102 PolarHBondContact O-N 3.01Å; V99-R103 WeakPolarHBondContact O-CG 3.28Å; V99-R103 PolarHBondContact O-N 3.43Å; V99-R103 VanDerWaalsContact O-N 3.1Å
100	E	92.4	Very high	92.5	Very high	111 Å²	111	111 Å²	111	52%	0.519	53%	0.531	S	S	.	.	H	α-helix	trans	-61.5	-48	175.9	-132.5	90.7	-125	0	0	111.6	Q96 S97 K102 R103 V104	Q96-E100 PolarHBondContact O-N 2.95Å; S97-E100 PolarHBondContact O-N 3.41Å; E100-K102 VanDerWaalsContact C-N 3.34Å; E100-K102 PolarHBondContact O-N 2.97Å; E100-R103 WeakPolarHBondContact O-CB 3.33Å; E100-R103 PolarHBondContact O-N 2.99Å; E100-R103 VanDerWaalsContact O-N 3.12Å; E100-V104 WeakPolarHBondContact O-CG2 3.35Å; E100-V104 PolarHBondContact O-N 3.37Å
101	E	91.5	Very high	92.5	Very high	140 Å²	140	110.9 Å²	110.9	65%	0.654	53%	0.53	S	S	*	.	H	α-helix	trans	-57.4	-44.8	177.5	-77.4	-179.8	168.6	0	0	112.1	S97 R103 V104 Y105	S97-E101 WeakPolarHBondContact O-CG 3.47Å; S97-E101 PolarHBondContact O-N 3.45Å; E101-R103 VanDerWaalsContact C-N 3.34Å; E101-R103 PolarHBondContact O-N 3.06Å; E101-V104 PolarHBondContact O-N 2.9Å; E101-Y105 WeakPolarHBondContact O-CB 3.43Å; E101-Y105 PolarHBondContact O-N 3.45Å
102	K	91.8	Very high	92.5	Very high	153 Å²	153	109.7 Å²	109.7	67%	0.665	53%	0.526	S	S	*	.	H	α-helix	trans	-62.7	-39.4	176.5	-77	-179.2	179.8	-178.5	0	112.3	K98 V99 E100 E106	K98-K102 WeakPolarHBondContact O-CG 3.46Å; K98-K102 PolarHBondContact O-N 3.43Å; V99-K102 PolarHBondContact O-N 3.01Å; E100-K102 VanDerWaalsContact C-N 3.34Å; E100-K102 PolarHBondContact O-N 2.97Å; K102-E106 WeakPolarHBondContact O-CG 3.33Å; K102-E106 PolarHBondContact O-N 2.79Å
103	R	93.3	Very high	92.4	Very high	146 Å²	146	111.7 Å²	111.7	55%	0.551	53%	0.53	S	S	*	.	H	α-helix	trans	-65.2	-44.6	177.3	-75.4	176.5	178.4	171.2	0.2	112	V99 E100 E101 E106 Q107	V99-R103 WeakPolarHBondContact O-CG 3.28Å; V99-R103 PolarHBondContact O-N 3.43Å; V99-R103 VanDerWaalsContact O-N 3.1Å; E100-R103 WeakPolarHBondContact O-CB 3.33Å; E100-R103 PolarHBondContact O-N 2.99Å; E100-R103 VanDerWaalsContact O-N 3.12Å; E101-R103 VanDerWaalsContact C-N 3.34Å; E101-R103 PolarHBondContact O-N 3.06Å; R103-E106 PolarHBondContact O-N 3.33Å; R103-Q107 WeakPolarHBondContact O-CG 3.48Å; R103-Q107 PolarHBondContact O-N 3.07Å; R103-Q107 VanDerWaalsContact O-N 3.08Å
104	V	93.7	Very high	92.3	Very high	73 Å²	73	112.1 Å²	112.1	44%	0.442	53%	0.529	S	S	.	.	H	α-helix	trans	-62.8	-46	178	174.9	0	0	0	0	110.4	E100 E101 E106 Q107 E108	E100-V104 WeakPolarHBondContact O-CG2 3.35Å; E100-V104 PolarHBondContact O-N 3.37Å; E101-V104 PolarHBondContact O-N 2.9Å; V104-E106 PolarHBondContact O-N 3.21Å; V104-Q107 PolarHBondContact O-N 3.36Å; V104-E108 PolarHBondContact O-N 3.32Å
105	Y	93.5	Very high	92.3	Very high	156 Å²	156	115.6 Å²	115.6	61%	0.612	54%	0.542	S	S	*	.	H	α-helix	trans	-59.7	-43.7	177.4	-178.2	-99.7	0	0	0	113	E101 Q107 E108 R109	E101-Y105 WeakPolarHBondContact O-CB 3.43Å; E101-Y105 PolarHBondContact O-N 3.45Å; Y105-Q107 VanDerWaalsContact C-N 3.35Å; Y105-Q107 PolarHBondContact O-N 2.83Å; Y105-E108 PolarHBondContact O-N 3.34Å; Y105-R109 WeakPolarHBondContact O-CB 3.39Å; Y105-R109 PolarHBondContact O-N 3.26Å
106	E	90.3	Very high	92.2	Very high	110 Å²	110	118.6 Å²	118.6	51%	0.514	55%	0.546	S	S	.	.	H	α-helix	trans	-65.3	-35.8	176.2	-77.7	-170.8	-179.7	0	0	113	K102 R103 V104 R110	K102-E106 WeakPolarHBondContact O-CG 3.33Å; K102-E106 PolarHBondContact O-N 2.79Å; R103-E106 PolarHBondContact O-N 3.33Å; V104-E106 PolarHBondContact O-N 3.21Å; E106-R110 WeakPolarHBondContact O-CG 3.49Å; E106-R110 PolarHBondContact O-N 3.05Å
107	Q	91.8	Very high	92.2	Very high	124 Å²	124	115.5 Å²	115.5	58%	0.579	54%	0.538	S	S	*	.	H	α-helix	trans	-67.8	-42.8	176.6	-74.5	-179.3	4.1	0	0	112.2	R103 V104 Y105 R110 K111	R103-Q107 WeakPolarHBondContact O-CG 3.48Å; R103-Q107 PolarHBondContact O-N 3.07Å; R103-Q107 VanDerWaalsContact O-N 3.08Å; V104-Q107 PolarHBondContact O-N 3.36Å; Y105-Q107 VanDerWaalsContact C-N 3.35Å; Y105-Q107 PolarHBondContact O-N 2.83Å; Q107-R110 PolarHBondContact O-N 2.9Å; Q107-K111 PolarHBondContact O-N 3Å
108	E	91.7	Very high	92.4	Very high	117 Å²	117	119.7 Å²	119.7	55%	0.547	54%	0.543	S	S	.	.	H	α-helix	trans	-62.1	-44.6	174.9	-72.1	-175.6	164.5	0	0	111.3	V104 Y105 R110 K111 T112	V104-E108 PolarHBondContact O-N 3.32Å; Y105-E108 PolarHBondContact O-N 3.34Å; E108-R110 VanDerWaalsContact C-N 3.29Å; E108-R110 PolarHBondContact O-N 3.38Å; E108-K111 WeakPolarHBondContact O-CB 3.25Å; E108-K111 PolarHBondContact O-N 3.45Å; E108-K111 VanDerWaalsContact O-N 3.08Å; E108-T112 PolarHBondContact O-N 3Å
109	R	92.5	Very high	92.3	Very high	156 Å²	156	118.4 Å²	118.4	59%	0.589	54%	0.539	S	S	*	.	H	α-helix	trans	-60.5	-35.4	176.1	-169.6	179.9	178.9	-144.8	0.2	113	Y105 T112 L113	Y105-R109 WeakPolarHBondContact O-CB 3.39Å; Y105-R109 PolarHBondContact O-N 3.26Å; R109-T112 PolarHBondContact O-OG1 3.4Å; R109-L113 HydrophobicContact CG-CD1 4.34Å; R109-L113 WeakPolarHBondContact O-CB 3.43Å; R109-L113 VanDerWaalsContact O-CG 3.3Å; R109-L113 WeakPolarHBondContact O-CG 3.42Å; R109-L113 PolarHBondContact O-N 3.42Å
110	R	90.3	Very high	92.4	Very high	167 Å²	167	119.3 Å²	119.3	63%	0.63	55%	0.545	S	S	*	.	H	α-helix	trans	-67.4	-38	174.5	-75.3	177.3	-174.8	-168.6	4.2	112.1	E106 Q107 E108 Q114	E106-R110 WeakPolarHBondContact O-CG 3.49Å; E106-R110 PolarHBondContact O-N 3.05Å; Q107-R110 PolarHBondContact O-N 2.9Å; E108-R110 VanDerWaalsContact C-N 3.29Å; E108-R110 PolarHBondContact O-N 3.38Å; R110-Q114 WeakPolarHBondContact O-CG 3.34Å; R110-Q114 PolarHBondContact O-N 3.49Å
111	K	93.1	Very high	92.4	Very high	133 Å²	133	119.8 Å²	119.8	58%	0.578	55%	0.547	S	S	*	.	H	α-helix	trans	-66.8	-44.4	177.4	-69.6	176.1	-178.1	175.3	0	111.6	Q107 E108 Q114 E115	Q107-K111 PolarHBondContact O-N 3Å; E108-K111 WeakPolarHBondContact O-CB 3.25Å; E108-K111 PolarHBondContact O-N 3.45Å; E108-K111 VanDerWaalsContact O-N 3.08Å; K111-Q114 PolarHBondContact O-N 2.96Å; K111-E115 PolarHBondContact O-N 3.04Å; K111-E115 VanDerWaalsContact O-N 3.1Å
112	T	92.8	Very high	92.5	Very high	70 Å²	70	118.6 Å²	118.6	43%	0.429	55%	0.545	S	S	.	.	H	α-helix	trans	-63.5	-44.1	178.4	57.9	0	0	0	0	112.1	E108 R109 Q114 E115 E116	E108-T112 PolarHBondContact O-N 3Å; R109-T112 PolarHBondContact O-OG1 3.4Å; T112-Q114 VanDerWaalsContact C-N 3.29Å; T112-Q114 PolarHBondContact O-N 3.48Å; T112-E115 PolarHBondContact O-N 3.11Å; T112-E116 WeakPolarHBondContact O-CG 3.45Å; T112-E116 PolarHBondContact O-N 3.49Å
113	L	92.3	Very high	92.7	Very high	90 Å²	90	118.6 Å²	118.6	47%	0.471	54%	0.541	S	S	.	.	H	α-helix	trans	-61	-36.1	175.8	-74.2	171.4	0	0	0	112.7	R109 S117	R109-L113 HydrophobicContact CG-CD1 4.34Å; R109-L113 WeakPolarHBondContact O-CB 3.43Å; R109-L113 VanDerWaalsContact O-CG 3.3Å; R109-L113 WeakPolarHBondContact O-CG 3.42Å; R109-L113 PolarHBondContact O-N 3.42Å; L113-S117 WeakPolarHBondContact O-CB 3.42Å; L113-S117 PolarHBondContact O-N 3.48Å
114	Q	92.3	Very high	92.7	Very high	114 Å²	114	114.1 Å²	114.1	53%	0.533	54%	0.535	S	S	.	.	H	α-helix	trans	-67.5	-42.8	175.7	-76.9	179.9	1.9	0	0	112.1	R110 K111 T112 S117 R118	R110-Q114 WeakPolarHBondContact O-CG 3.34Å; R110-Q114 PolarHBondContact O-N 3.49Å; K111-Q114 PolarHBondContact O-N 2.96Å; T112-Q114 VanDerWaalsContact C-N 3.29Å; T112-Q114 PolarHBondContact O-N 3.48Å; Q114-S117 PolarHBondContact O-N 2.8Å; Q114-S117 PolarHBondContact O-OG 2.87Å; Q114-R118 WeakPolarHBondContact O-CG 3.49Å; Q114-R118 PolarHBondContact O-N 3.42Å; Q114-R118 VanDerWaalsContact O-N 3.09Å
115	E	91.9	Very high	92.7	Very high	118 Å²	118	116.4 Å²	116.4	55%	0.551	54%	0.541	S	S	*	.	H	α-helix	trans	-66.4	-42.1	177	-75.9	175.6	172.9	0	0	112.5	K111 T112 S117 R118 Q119	K111-E115 PolarHBondContact O-N 3.04Å; K111-E115 VanDerWaalsContact O-N 3.1Å; T112-E115 PolarHBondContact O-N 3.11Å; E115-S117 VanDerWaalsContact C-N 3.33Å; E115-S117 PolarHBondContact O-N 3.13Å; E115-R118 PolarHBondContact O-N 3.5Å; E115-Q119 WeakPolarHBondContact O-CG 3.44Å; E115-Q119 PolarHBondContact O-N 3.43Å
116	E	92	Very high	92.7	Very high	118 Å²	118	116 Å²	116	55%	0.551	54%	0.539	S	S	*	.	H	α-helix	trans	-59.2	-44.5	173	-73.9	-178.6	170.2	0	0	111.3	T112 R118 Q119 V120	T112-E116 WeakPolarHBondContact O-CG 3.45Å; T112-E116 PolarHBondContact O-N 3.49Å; E116-R118 VanDerWaalsContact C-N 3.32Å; E116-R118 PolarHBondContact O-N 3.2Å; E116-Q119 PolarHBondContact O-N 3.05Å; E116-V120 WeakPolarHBondContact O-CG2 3.46Å; E116-V120 PolarHBondContact O-N 3.11Å
117	S	92.3	Very high	92.7	Very high	56 Å²	56	116.5 Å²	116.5	39%	0.392	54%	0.541	S	S	.	.	H	α-helix	trans	-61.1	-39	177.8	76.7	0	0	0	0	112.7	L113 Q114 E115 V120 Q121	L113-S117 WeakPolarHBondContact O-CB 3.42Å; L113-S117 PolarHBondContact O-N 3.48Å; Q114-S117 PolarHBondContact O-N 2.8Å; Q114-S117 PolarHBondContact O-OG 2.87Å; E115-S117 VanDerWaalsContact C-N 3.33Å; E115-S117 PolarHBondContact O-N 3.13Å; S117-V120 PolarHBondContact O-N 2.99Å; S117-Q121 WeakPolarHBondContact O-CG 3.3Å; S117-Q121 PolarHBondContact O-N 3.03Å
118	R	94.3	Very high	92.7	Very high	156 Å²	156	114.1 Å²	114.1	59%	0.589	53%	0.533	S	S	*	.	H	α-helix	trans	-65.7	-42.9	174.8	-73.8	179.2	-179	161.6	1.1	111.9	Q114 E115 E116 V120 Q121 L122	Q114-R118 WeakPolarHBondContact O-CG 3.49Å; Q114-R118 PolarHBondContact O-N 3.42Å; Q114-R118 VanDerWaalsContact O-N 3.09Å; E115-R118 PolarHBondContact O-N 3.5Å; E116-R118 VanDerWaalsContact C-N 3.32Å; E116-R118 PolarHBondContact O-N 3.2Å; R118-V120 VanDerWaalsContact C-N 3.33Å; R118-V120 PolarHBondContact O-N 3.28Å; R118-Q121 PolarHBondContact O-N 2.95Å; R118-L122 WeakPolarHBondContact O-CG 3.46Å; R118-L122 PolarHBondContact O-N 3.06Å
119	Q	92.6	Very high	92.8	Very high	106 Å²	106	114.1 Å²	114.1	50%	0.495	53%	0.533	S	S	.	.	H	α-helix	trans	-63.9	-38.5	176.7	-70.4	-173.8	15.2	0	0	112.1	E115 E116 R123	E115-Q119 WeakPolarHBondContact O-CG 3.44Å; E115-Q119 PolarHBondContact O-N 3.43Å; E116-Q119 PolarHBondContact O-N 3.05Å; Q119-R123 WeakPolarHBondContact O-CG 3.34Å; Q119-R123 PolarHBondContact O-N 3.13Å
120	V	93.3	Very high	92.7	Very high	92 Å²	92	109.3 Å²	109.3	56%	0.558	52%	0.519	S	S	*	.	H	α-helix	trans	-65.6	-42.5	176	172.8	0	0	0	0	111.1	E116 S117 R118 R123 A124	E116-V120 WeakPolarHBondContact O-CG2 3.46Å; E116-V120 PolarHBondContact O-N 3.11Å; S117-V120 PolarHBondContact O-N 2.99Å; R118-V120 VanDerWaalsContact C-N 3.33Å; R118-V120 PolarHBondContact O-N 3.28Å; V120-R123 PolarHBondContact O-N 2.71Å; V120-A124 WeakPolarHBondContact O-CB 3.39Å; V120-A124 PolarHBondContact O-N 3.34Å
121	Q	93.2	Very high	92.7	Very high	121 Å²	121	105.4 Å²	105.4	57%	0.565	51%	0.51	S	S	*	.	H	α-helix	trans	-60.8	-48.5	175.5	-75	175.5	-3	0	0	112.2	S117 R118 R123 A124 E125	S117-Q121 WeakPolarHBondContact O-CG 3.3Å; S117-Q121 PolarHBondContact O-N 3.03Å; R118-Q121 PolarHBondContact O-N 2.95Å; Q121-R123 VanDerWaalsContact C-N 3.34Å; Q121-R123 PolarHBondContact O-N 3.35Å; Q121-A124 PolarHBondContact O-N 3.48Å; Q121-A124 VanDerWaalsContact O-N 3.16Å; Q121-E125 PolarHBondContact O-N 3.28Å
122	L	94.5	Very high	92.6	Very high	114 Å²	114	106.7 Å²	106.7	60%	0.597	51%	0.511	S	S	*	.	H	α-helix	trans	-60.8	-40.2	177.8	-73.1	168.9	0	0	0	112.6	R118 Y126	R118-L122 WeakPolarHBondContact O-CG 3.46Å; R118-L122 PolarHBondContact O-N 3.06Å; L122-Y126 WeakPolarHBondContact O-CB 3.45Å; L122-Y126 PolarHBondContact O-N 3.26Å
123	R	94.5	Very high	92.6	Very high	154 Å²	154	109.7 Å²	109.7	58%	0.581	52%	0.518	S	S	*	.	H	α-helix	trans	-65.1	-39.8	175.5	-74.6	177.6	-172.3	153.9	7.5	111.9	Q119 V120 Q121 Q127	Q119-R123 WeakPolarHBondContact O-CG 3.34Å; Q119-R123 PolarHBondContact O-N 3.13Å; V120-R123 PolarHBondContact O-N 2.71Å; Q121-R123 VanDerWaalsContact C-N 3.34Å; Q121-R123 PolarHBondContact O-N 3.35Å; R123-Q127 WeakPolarHBondContact O-CB 3.45Å; R123-Q127 WeakPolarHBondContact O-CG 3.22Å; R123-Q127 PolarHBondContact O-N 2.93Å
124	A	93.1	Very high	92.5	Very high	52 Å²	52	111.8 Å²	111.8	43%	0.43	52%	0.52	S	S	.	.	H	α-helix	trans	-65.9	-43.2	178	0	0	0	0	0	112	V120 Q121 Q127 D128	V120-A124 WeakPolarHBondContact O-CB 3.39Å; V120-A124 PolarHBondContact O-N 3.34Å; Q121-A124 PolarHBondContact O-N 3.48Å; Q121-A124 VanDerWaalsContact O-N 3.16Å; A124-Q127 PolarHBondContact O-N 3.48Å; A124-D128 PolarHBondContact O-N 3.03Å
125	E	93.8	Very high	92.4	Very high	120 Å²	120	111.9 Å²	111.9	56%	0.561	52%	0.519	S	S	*	.	H	α-helix	trans	-64.2	-43.4	176	-71.8	179.3	176.7	0	0	112.2	Q121 Q127 D128 Q129	Q121-E125 PolarHBondContact O-N 3.28Å; E125-Q127 VanDerWaalsContact C-N 3.32Å; E125-Q127 PolarHBondContact O-N 3.01Å; E125-D128 PolarHBondContact O-N 3.48Å; E125-Q129 WeakPolarHBondContact O-CG 3.38Å; E125-Q129 PolarHBondContact O-N 3.11Å
126	Y	93.7	Very high	92.4	Very high	148 Å²	148	110.9 Å²	110.9	58%	0.58	52%	0.517	S	S	*	.	H	α-helix	trans	-62.7	-39.6	176.7	-174.7	-108.9	0	0	0	112	L122 Q129 L130	L122-Y126 WeakPolarHBondContact O-CB 3.45Å; L122-Y126 PolarHBondContact O-N 3.26Å; Y126-Q129 PolarHBondContact O-N 3.12Å; Y126-L130 HydrophobicContact CD1-CD1 4Å; Y126-L130 HydrophobicContact CE1-CD1 3.56Å; Y126-L130 HydrophobicContact CE1-CG 4.28Å; Y126-L130 WeakPolarHBondContact O-CG 3.46Å; Y126-L130 PolarHBondContact O-N 3.16Å; Y126-L130 VanDerWaalsContact O-N 3.1Å
127	Q	91.3	Very high	92.4	Very high	120 Å²	120	111.6 Å²	111.6	56%	0.561	52%	0.521	S	S	*	.	H	α-helix	trans	-65	-41	173.9	-77.9	172.7	-13.6	0	0	112.4	R123 A124 E125 Q129 L130 N131	R123-Q127 WeakPolarHBondContact O-CB 3.45Å; R123-Q127 WeakPolarHBondContact O-CG 3.22Å; R123-Q127 PolarHBondContact O-N 2.93Å; A124-Q127 PolarHBondContact O-N 3.48Å; E125-Q127 VanDerWaalsContact C-N 3.32Å; E125-Q127 PolarHBondContact O-N 3.01Å; Q127-Q129 PolarHBondContact O-N 3.47Å; Q127-L130 PolarHBondContact O-N 3.1Å; Q127-N131 WeakPolarHBondContact O-CB 3.49Å; Q127-N131 PolarHBondContact O-N 2.82Å; Q127-N131 PolarHBondContact O-ND2 2.94Å
128	D	92.2	Very high	92.3	Very high	74 Å²	74	115 Å²	115	40%	0.396	53%	0.53	S	S	.	.	H	α-helix	trans	-63.1	-41.3	176.3	-165.5	41.8	0	0	0	111.5	A124 E125 L130 N131 R132	A124-D128 PolarHBondContact O-N 3.03Å; E125-D128 PolarHBondContact O-N 3.48Å; D128-L130 PolarHBondContact O-N 2.81Å; D128-N131 PolarHBondContact O-N 3.2Å; D128-R132 WeakPolarHBondContact O-CG 3.44Å; D128-R132 PolarHBondContact O-N 2.99Å; D128-R132 IonicContact OD1-NE 2.71Å; D128-R132 IonicContact OD2-CZ 3.41Å; D128-R132 IonicContact OD2-NE 3.4Å; D128-R132 PolarHBondContact OD2-NE 3.39Å; D128-R132 VanDerWaalsContact OD2-NE 3.08Å; D128-R132 IonicContact OD2-NH2 3.98Å; D128-R132 PolarHBondContact OD2-NH2 2.94Å
129	Q	93.2	Very high	92.1	Very high	117 Å²	117	112.8 Å²	112.8	55%	0.547	53%	0.527	S	S	.	.	H	α-helix	trans	-62	-42.8	175.3	-71.4	-177.2	10.7	0	0	112.7	E125 Y126 Q127 R132 K133	E125-Q129 WeakPolarHBondContact O-CG 3.38Å; E125-Q129 PolarHBondContact O-N 3.11Å; Y126-Q129 PolarHBondContact O-N 3.12Å; Q127-Q129 PolarHBondContact O-N 3.47Å; Q129-R132 PolarHBondContact O-N 2.95Å; Q129-K133 WeakPolarHBondContact O-CG 3.42Å; Q129-K133 PolarHBondContact O-N 3.15Å; Q129-K133 VanDerWaalsContact O-N 3.11Å
130	L	90.2	Very high	92.1	Very high	56 Å²	56	110.3 Å²	110.3	29%	0.293	52%	0.524	S	S	.	.	H	α-helix	trans	-65.6	-40.2	176.2	-71.8	178	0	0	0	111.9	Y126 Q127 D128 K133 R134	Y126-L130 HydrophobicContact CD1-CD1 4Å; Y126-L130 HydrophobicContact CE1-CD1 3.56Å; Y126-L130 HydrophobicContact CE1-CG 4.28Å; Y126-L130 WeakPolarHBondContact O-CG 3.46Å; Y126-L130 PolarHBondContact O-N 3.16Å; Y126-L130 VanDerWaalsContact O-N 3.1Å; Q127-L130 PolarHBondContact O-N 3.1Å; D128-L130 PolarHBondContact O-N 2.81Å; L130-K133 PolarHBondContact O-N 3.24Å; L130-R134 WeakPolarHBondContact O-CG 3.39Å; L130-R134 PolarHBondContact O-N 3.14Å
131	N	90.7	Very high	92.1	Very high	85 Å²	85	110.9 Å²	110.9	46%	0.455	52%	0.524	S	S	.	.	H	α-helix	trans	-63.6	-42.9	177.6	-71.4	-17.9	0	0	0	111.7	Q127 D128 K133 R134 F135	Q127-N131 WeakPolarHBondContact O-CB 3.49Å; Q127-N131 PolarHBondContact O-N 2.82Å; Q127-N131 PolarHBondContact O-ND2 2.94Å; D128-N131 PolarHBondContact O-N 3.2Å; N131-K133 PolarHBondContact O-N 3.17Å; N131-R134 PolarHBondContact O-N 2.88Å; N131-F135 WeakPolarHBondContact O-CB 3.22Å; N131-F135 PolarHBondContact O-N 3.1Å
132	R	91	Very high	91.9	Very high	160 Å²	160	109.8 Å²	109.8	60%	0.604	52%	0.52	S	S	*	.	H	α-helix	trans	-62	-40.9	174.6	-69.5	178.1	-168.1	-146.4	6.6	112.5	D128 Q129 N136	D128-R132 WeakPolarHBondContact O-CG 3.44Å; D128-R132 PolarHBondContact O-N 2.99Å; D128-R132 IonicContact OD1-NE 2.71Å; D128-R132 IonicContact OD2-CZ 3.41Å; D128-R132 IonicContact OD2-NE 3.4Å; D128-R132 PolarHBondContact OD2-NE 3.39Å; D128-R132 VanDerWaalsContact OD2-NE 3.08Å; D128-R132 IonicContact OD2-NH2 3.98Å; D128-R132 PolarHBondContact OD2-NH2 2.94Å; Q129-R132 PolarHBondContact O-N 2.95Å; R132-N136 WeakPolarHBondContact O-CB 3.47Å; R132-N136 VanDerWaalsContact O-CG 3.22Å; R132-N136 PolarHBondContact O-N 3.35Å; R132-N136 PolarHBondContact O-ND2 3.43Å
133	K	92.2	Very high	91.8	Very high	133 Å²	133	110.6 Å²	110.6	58%	0.578	52%	0.518	S	S	*	.	H	α-helix	trans	-62.6	-49.4	175.9	-76	-176.8	179.2	-178.3	0	111.8	Q129 L130 N131 F135 N136 E137	Q129-K133 WeakPolarHBondContact O-CG 3.42Å; Q129-K133 PolarHBondContact O-N 3.15Å; Q129-K133 VanDerWaalsContact O-N 3.11Å; L130-K133 PolarHBondContact O-N 3.24Å; N131-K133 PolarHBondContact O-N 3.17Å; K133-F135 VanDerWaalsContact C-N 3.35Å; K133-F135 PolarHBondContact O-N 3.38Å; K133-N136 PolarHBondContact O-N 3.38Å; K133-E137 WeakPolarHBondContact O-CG 3.34Å; K133-E137 PolarHBondContact O-N 3.1Å
134	R	90	Very high	91.7	Very high	134 Å²	134	109.3 Å²	109.3	51%	0.506	52%	0.519	S	S	.	.	H	α-helix	trans	-59.3	-44.8	177	-69.1	-180	-165.1	174.8	5.4	112	L130 N131 N136 E137 E138	L130-R134 WeakPolarHBondContact O-CG 3.39Å; L130-R134 PolarHBondContact O-N 3.14Å; N131-R134 PolarHBondContact O-N 2.88Å; R134-N136 VanDerWaalsContact C-N 3.35Å; R134-N136 PolarHBondContact O-N 3.41Å; R134-E137 PolarHBondContact O-N 3.04Å; R134-E138 WeakPolarHBondContact O-CB 3.32Å; R134-E138 WeakPolarHBondContact O-CG 3.48Å; R134-E138 PolarHBondContact O-N 2.68Å
135	F	89.9	Confident	91.5	Very high	115 Å²	115	111.5 Å²	111.5	50%	0.504	52%	0.522	S	S	.	.	H	α-helix	trans	-61.4	-42.2	178.9	-176.4	-103.5	0	0	0	112.3	N131 K133 E138 Q139	N131-F135 WeakPolarHBondContact O-CB 3.22Å; N131-F135 PolarHBondContact O-N 3.1Å; K133-F135 VanDerWaalsContact C-N 3.35Å; K133-F135 PolarHBondContact O-N 3.38Å; F135-E138 PolarHBondContact O-N 3.36Å; F135-Q139 HydrophobicContact CE1-CG 4.29Å; F135-Q139 HydrophobicContact CZ-CG 4.4Å; F135-Q139 WeakPolarHBondContact O-CG 3.37Å; F135-Q139 PolarHBondContact O-N 3.41Å
136	N	91.7	Very high	91.3	Very high	98 Å²	98	111.6 Å²	111.6	52%	0.524	52%	0.522	S	S	.	.	H	α-helix	trans	-66.5	-40.3	176.6	-71.1	-11.2	0	0	0	112.3	R132 K133 R134 Q139 A140	R132-N136 WeakPolarHBondContact O-CB 3.47Å; R132-N136 VanDerWaalsContact O-CG 3.22Å; R132-N136 PolarHBondContact O-N 3.35Å; R132-N136 PolarHBondContact O-ND2 3.43Å; K133-N136 PolarHBondContact O-N 3.38Å; R134-N136 VanDerWaalsContact C-N 3.35Å; R134-N136 PolarHBondContact O-N 3.41Å; N136-Q139 PolarHBondContact O-N 3.32Å; N136-A140 WeakPolarHBondContact O-CB 3.4Å; N136-A140 PolarHBondContact O-N 3.39Å
137	E	93	Very high	91.3	Very high	133 Å²	133	110 Å²	110	62%	0.621	52%	0.52	S	S	*	.	H	α-helix	trans	-65	-42.2	175.7	-72.8	171.9	-175.9	0	0	111.8	K133 R134 A140 L141	K133-E137 WeakPolarHBondContact O-CG 3.34Å; K133-E137 PolarHBondContact O-N 3.1Å; R134-E137 PolarHBondContact O-N 3.04Å; E137-A140 PolarHBondContact O-N 3.22Å; E137-L141 WeakPolarHBondContact O-CB 3.38Å; E137-L141 PolarHBondContact O-N 2.98Å
138	E	91	Very high	91.2	Very high	126 Å²	126	109.6 Å²	109.6	59%	0.589	52%	0.518	S	S	*	.	H	α-helix	trans	-63	-42.2	175.3	-75.7	177	-177	0	0	112.1	R134 F135 L141 M142	R134-E138 WeakPolarHBondContact O-CB 3.32Å; R134-E138 WeakPolarHBondContact O-CG 3.48Å; R134-E138 PolarHBondContact O-N 2.68Å; F135-E138 PolarHBondContact O-N 3.36Å; E138-L141 PolarHBondContact O-N 2.96Å; E138-M142 WeakPolarHBondContact O-CB 3.48Å; E138-M142 WeakPolarHBondContact O-CG 3.27Å; E138-M142 PolarHBondContact O-N 3.35Å
139	Q	89	Confident	91.1	Very high	111 Å²	111	111.9 Å²	111.9	52%	0.519	53%	0.526	S	S	.	.	H	α-helix	trans	-63.7	-41.8	175.2	-76.7	-165.1	-5.2	0	0	112.3	F135 N136 M142 K143	F135-Q139 HydrophobicContact CE1-CG 4.29Å; F135-Q139 HydrophobicContact CZ-CG 4.4Å; F135-Q139 WeakPolarHBondContact O-CG 3.37Å; F135-Q139 PolarHBondContact O-N 3.41Å; N136-Q139 PolarHBondContact O-N 3.32Å; Q139-M142 PolarHBondContact O-N 3.5Å; Q139-K143 WeakPolarHBondContact O-CB 3.29Å; Q139-K143 PolarHBondContact O-N 3.36Å
140	A	93.8	Very high	91	Very high	53 Å²	53	110.9 Å²	110.9	44%	0.438	52%	0.524	S	S	.	.	H	α-helix	trans	-64	-43.7	177.3	0	0	0	0	0	111.8	N136 E137 K143 Q144	N136-A140 WeakPolarHBondContact O-CB 3.4Å; N136-A140 PolarHBondContact O-N 3.39Å; E137-A140 PolarHBondContact O-N 3.22Å; A140-K143 PolarHBondContact O-N 3.04Å; A140-Q144 WeakPolarHBondContact O-CG 3.38Å; A140-Q144 PolarHBondContact O-N 2.9Å
141	L	92.2	Very high	91.1	Very high	105 Å²	105	117.5 Å²	117.5	55%	0.55	55%	0.545	S	S	.	.	H	α-helix	trans	-64.2	-42.9	177	-167.2	103.5	0	0	0	111.9	E137 E138 K143 Q144 M145	E137-L141 WeakPolarHBondContact O-CB 3.38Å; E137-L141 PolarHBondContact O-N 2.98Å; E138-L141 PolarHBondContact O-N 2.96Å; L141-K143 VanDerWaalsContact C-N 3.34Å; L141-K143 PolarHBondContact O-N 2.8Å; L141-Q144 PolarHBondContact O-N 3.41Å; L141-M145 PolarHBondContact O-N 2.99Å
142	M	88.8	Confident	91.1	Very high	98 Å²	98	119.9 Å²	119.9	48%	0.483	55%	0.552	S	S	.	*	H	α-helix	trans	-61.7	-40.7	176.2	-84.6	-70.4	-74.7	0	0	112.2	E138 Q139 M145 Q146	E138-M142 WeakPolarHBondContact O-CB 3.48Å; E138-M142 WeakPolarHBondContact O-CG 3.27Å; E138-M142 PolarHBondContact O-N 3.35Å; Q139-M142 PolarHBondContact O-N 3.5Å; M142-M145 PolarHBondContact O-N 3.49Å; M142-M145 HydrophobicContact SD-CE 4.01Å; M142-Q146 WeakPolarHBondContact O-CG 3.48Å; M142-Q146 PolarHBondContact O-N 3.46Å
143	K	92	Very high	90.9	Very high	131 Å²	131	118 Å²	118	57%	0.57	55%	0.549	S	S	*	.	H	α-helix	trans	-63.7	-44.9	176.2	-171.4	179.5	175.9	-174.4	0	111.7	Q139 A140 L141 M145 Q146 E147	Q139-K143 WeakPolarHBondContact O-CB 3.29Å; Q139-K143 PolarHBondContact O-N 3.36Å; A140-K143 PolarHBondContact O-N 3.04Å; L141-K143 VanDerWaalsContact C-N 3.34Å; L141-K143 PolarHBondContact O-N 2.8Å; K143-M145 PolarHBondContact O-N 3Å; K143-Q146 PolarHBondContact O-N 3Å; K143-E147 WeakPolarHBondContact CE-OE1 3.44Å; K143-E147 WeakPolarHBondContact O-CG 3.37Å; K143-E147 PolarHBondContact O-N 2.94Å
144	Q	92.4	Very high	90.9	Very high	126 Å²	126	116.2 Å²	116.2	59%	0.589	54%	0.543	S	S	*	.	H	α-helix	trans	-61	-43.8	175.5	-73.7	-178.4	-10.1	0	0	112.3	A140 L141 Q146 E147 E148	A140-Q144 WeakPolarHBondContact O-CG 3.38Å; A140-Q144 PolarHBondContact O-N 2.9Å; L141-Q144 PolarHBondContact O-N 3.41Å; Q144-Q146 PolarHBondContact O-N 2.98Å; Q144-E147 PolarHBondContact O-N 2.91Å; Q144-E148 PolarHBondContact O-N 2.83Å
145	M	90.3	Very high	90.9	Very high	99 Å²	99	111.7 Å²	111.7	49%	0.488	54%	0.535	S	S	.	.	H	α-helix	trans	-63.1	-40.3	175.8	-80.3	-147.7	-59.5	0	0	112.7	L141 M142 K143 E148 Q149	L141-M145 PolarHBondContact O-N 2.99Å; M142-M145 PolarHBondContact O-N 3.49Å; M142-M145 HydrophobicContact SD-CE 4.01Å; K143-M145 PolarHBondContact O-N 3Å; M145-E148 PolarHBondContact O-N 2.85Å; M145-Q149 WeakPolarHBondContact O-CG 3.5Å; M145-Q149 PolarHBondContact O-N 3.3Å
146	Q	89.8	Confident	90.8	Very high	122 Å²	122	108.6 Å²	108.6	57%	0.57	53%	0.527	S	S	*	.	H	α-helix	trans	-64.9	-44	177	-76.7	179.2	-2.2	0	0	111.9	M142 K143 Q144 Q149 L150	M142-Q146 WeakPolarHBondContact O-CG 3.48Å; M142-Q146 PolarHBondContact O-N 3.46Å; K143-Q146 PolarHBondContact O-N 3Å; Q144-Q146 PolarHBondContact O-N 2.98Å; Q146-Q149 PolarHBondContact O-N 3.36Å; Q146-L150 PolarHBondContact O-N 3.26Å
147	E	91.8	Very high	90.8	Very high	113 Å²	113	107.2 Å²	107.2	53%	0.528	52%	0.522	S	S	.	.	H	α-helix	trans	-62.6	-40.9	176.3	-74.6	175.2	-173.5	0	0	111.8	K143 Q144 L150 R151	K143-E147 WeakPolarHBondContact CE-OE1 3.44Å; K143-E147 WeakPolarHBondContact O-CG 3.37Å; K143-E147 PolarHBondContact O-N 2.94Å; Q144-E147 PolarHBondContact O-N 2.91Å; E147-L150 PolarHBondContact O-N 3.16Å; E147-R151 WeakPolarHBondContact O-CB 3.17Å; E147-R151 PolarHBondContact O-N 3.2Å
148	E	90.8	Very high	90.6	Very high	113 Å²	113	108.7 Å²	108.7	53%	0.528	52%	0.522	S	S	.	.	H	α-helix	trans	-63.5	-40.6	173.6	-81.4	-162	-177.4	0	0	113.2	Q144 M145 K152	Q144-E148 PolarHBondContact O-N 2.83Å; M145-E148 PolarHBondContact O-N 2.85Å; E148-K152 WeakPolarHBondContact O-CB 3.31Å; E148-K152 WeakPolarHBondContact O-CG 3.04Å; E148-K152 PolarHBondContact O-N 2.94Å; E148-K152 IonicContact OE2-NZ 3.67Å; E148-K152 PolarHBondContact OE2-NZ 3.05Å
149	Q	89.3	Confident	90.7	Very high	121 Å²	121	110.5 Å²	110.5	57%	0.565	52%	0.523	S	S	*	.	H	α-helix	trans	-66.6	-43	177.4	-76.8	-165.5	-9.6	0	0	111.7	M145 Q146 R151 K152 Q153	M145-Q149 WeakPolarHBondContact O-CG 3.5Å; M145-Q149 PolarHBondContact O-N 3.3Å; Q146-Q149 PolarHBondContact O-N 3.36Å; Q149-R151 VanDerWaalsContact C-N 3.35Å; Q149-R151 PolarHBondContact O-N 3.33Å; Q149-K152 PolarHBondContact O-N 2.83Å; Q149-Q153 WeakPolarHBondContact O-CG 3.45Å; Q149-Q153 PolarHBondContact O-N 3.49Å
150	L	90.4	Very high	90.5	Very high	97 Å²	97	110.4 Å²	110.4	51%	0.508	52%	0.523	S	S	.	.	H	α-helix	trans	-60	-46.1	175.9	-164.9	109.1	0	0	0	110.7	Q146 E147 K152 Q153 E154	Q146-L150 PolarHBondContact O-N 3.26Å; E147-L150 PolarHBondContact O-N 3.16Å; L150-K152 VanDerWaalsContact C-N 3.34Å; L150-K152 PolarHBondContact O-N 2.89Å; L150-Q153 WeakPolarHBondContact O-CB 3.31Å; L150-Q153 PolarHBondContact O-N 3.46Å; L150-Q153 VanDerWaalsContact O-N 3.14Å; L150-E154 WeakPolarHBondContact CD2-OE1 3.4Å; L150-E154 WeakPolarHBondContact O-CG 3.41Å; L150-E154 PolarHBondContact O-N 3.27Å
151	R	92.3	Very high	90.2	Very high	195 Å²	195	113.5 Å²	113.5	74%	0.736	53%	0.529	S	S	*	.	H	α-helix	trans	-61	-39.6	176.6	-170	178.5	178.1	-175.5	0	112.7	E147 Q149 A155	E147-R151 WeakPolarHBondContact O-CB 3.17Å; E147-R151 PolarHBondContact O-N 3.2Å; Q149-R151 VanDerWaalsContact C-N 3.35Å; Q149-R151 PolarHBondContact O-N 3.33Å; R151-A155 WeakPolarHBondContact O-CB 3.14Å; R151-A155 PolarHBondContact O-N 3.36Å; R151-A155 VanDerWaalsContact O-N 3.1Å
152	K	91.7	Very high	90.2	Very high	135 Å²	135	114.9 Å²	114.9	59%	0.587	53%	0.532	S	S	*	.	H	α-helix	trans	-66.8	-39.2	174.7	-75.4	167.8	-179.1	158.2	0	111.7	E148 Q149 L150 S156	E148-K152 WeakPolarHBondContact O-CB 3.31Å; E148-K152 WeakPolarHBondContact O-CG 3.04Å; E148-K152 PolarHBondContact O-N 2.94Å; E148-K152 IonicContact OE2-NZ 3.67Å; E148-K152 PolarHBondContact OE2-NZ 3.05Å; Q149-K152 PolarHBondContact O-N 2.83Å; L150-K152 VanDerWaalsContact C-N 3.34Å; L150-K152 PolarHBondContact O-N 2.89Å; K152-S156 PolarHBondContact O-N 2.96Å; K152-S156 VanDerWaalsContact O-N 3.1Å
153	Q	86.8	Confident	90.2	Very high	119 Å²	119	115.7 Å²	115.7	56%	0.556	54%	0.537	S	S	*	.	H	α-helix	trans	-65.3	-49.9	176	-73.8	178.5	3.8	0	0	111.5	Q149 L150 A155 S156 V157	Q149-Q153 WeakPolarHBondContact O-CG 3.45Å; Q149-Q153 PolarHBondContact O-N 3.49Å; L150-Q153 WeakPolarHBondContact O-CB 3.31Å; L150-Q153 PolarHBondContact O-N 3.46Å; L150-Q153 VanDerWaalsContact O-N 3.14Å; Q153-A155 VanDerWaalsContact C-N 3.32Å; Q153-A155 PolarHBondContact O-N 2.71Å; Q153-S156 PolarHBondContact O-N 3.06Å; Q153-S156 PolarHBondContact O-OG 3.25Å; Q153-V157 WeakPolarHBondContact O-CG2 3.35Å; Q153-V157 PolarHBondContact O-N 3.12Å
154	E	91.1	Very high	90	Very high	96 Å²	96	117.8 Å²	117.8	45%	0.449	54%	0.541	S	S	.	.	H	α-helix	trans	-57.6	-43.1	177	-71.8	179.4	176.4	0	0	112.1	L150 S156 V157 R158	L150-E154 WeakPolarHBondContact CD2-OE1 3.4Å; L150-E154 WeakPolarHBondContact O-CG 3.41Å; L150-E154 PolarHBondContact O-N 3.27Å; E154-S156 VanDerWaalsContact C-N 3.3Å; E154-S156 PolarHBondContact O-N 3.32Å; E154-V157 PolarHBondContact O-N 3.06Å; E154-R158 WeakPolarHBondContact O-CG 2.79Å; E154-R158 PolarHBondContact O-N 2.99Å
155	A	91.3	Very high	89.9	Confident	40 Å²	40	118.3 Å²	118.3	33%	0.331	54%	0.542	S	S	.	.	H	α-helix	trans	-64.3	-33.5	176.1	0	0	0	0	0	112.8	R151 Q153 R159	R151-A155 WeakPolarHBondContact O-CB 3.14Å; R151-A155 PolarHBondContact O-N 3.36Å; R151-A155 VanDerWaalsContact O-N 3.1Å; Q153-A155 VanDerWaalsContact C-N 3.32Å; Q153-A155 PolarHBondContact O-N 2.71Å; A155-R159 WeakPolarHBondContact O-CG 3.39Å; A155-R159 PolarHBondContact O-N 3.49Å
156	S	87.7	Confident	90	Very high	50 Å²	50	116.3 Å²	116.3	35%	0.35	54%	0.541	S	S	.	.	H	α-helix	trans	-72.9	-38.1	176.4	74.1	0	0	0	0	112.6	K152 Q153 E154 R159 Q160	K152-S156 PolarHBondContact O-N 2.96Å; K152-S156 VanDerWaalsContact O-N 3.1Å; Q153-S156 PolarHBondContact O-N 3.06Å; Q153-S156 PolarHBondContact O-OG 3.25Å; E154-S156 VanDerWaalsContact C-N 3.3Å; E154-S156 PolarHBondContact O-N 3.32Å; S156-R159 PolarHBondContact O-N 2.96Å; S156-Q160 WeakPolarHBondContact O-CG 2.97Å; S156-Q160 PolarHBondContact O-N 3.42Å; S156-Q160 VanDerWaalsContact O-N 3.11Å
157	V	90.9	Very high	90.1	Very high	68 Å²	68	114.4 Å²	114.4	41%	0.412	54%	0.538	S	S	.	.	H	α-helix	trans	-65.8	-45.6	176.8	173.9	0	0	0	0	110.4	Q153 E154 R159 Q160 E161	Q153-V157 WeakPolarHBondContact O-CG2 3.35Å; Q153-V157 PolarHBondContact O-N 3.12Å; E154-V157 PolarHBondContact O-N 3.06Å; V157-R159 VanDerWaalsContact C-N 3.33Å; V157-R159 PolarHBondContact O-N 3.34Å; V157-Q160 WeakPolarHBondContact O-CB 3.32Å; V157-Q160 PolarHBondContact O-N 3.48Å; V157-E161 HydrophobicContact CG1-CG 4.46Å; V157-E161 PolarHBondContact O-N 3.02Å
158	R	90.3	Very high	89.9	Confident	164 Å²	164	114.3 Å²	114.3	62%	0.619	54%	0.54	S	S	*	.	H	α-helix	trans	-57.2	-43.6	176	-72.1	-178.3	-173.5	-174.9	3.9	112.5	E154 Q160 E161 E162	E154-R158 WeakPolarHBondContact O-CG 2.79Å; E154-R158 PolarHBondContact O-N 2.99Å; R158-Q160 VanDerWaalsContact C-N 3.34Å; R158-Q160 PolarHBondContact O-N 3.28Å; R158-E161 PolarHBondContact O-N 3.26Å; R158-E162 WeakPolarHBondContact O-CG 3.2Å; R158-E162 PolarHBondContact O-N 3.48Å
159	R	91.4	Very high	89.8	Confident	164 Å²	164	113.4 Å²	113.4	62%	0.619	54%	0.536	S	S	*	.	H	α-helix	trans	-62.1	-38.7	175.1	-72	-177.3	-135.8	165.1	1.2	112.5	A155 S156 V157 I163	A155-R159 WeakPolarHBondContact O-CG 3.39Å; A155-R159 PolarHBondContact O-N 3.49Å; S156-R159 PolarHBondContact O-N 2.96Å; V157-R159 VanDerWaalsContact C-N 3.33Å; V157-R159 PolarHBondContact O-N 3.34Å; R159-I163 WeakPolarHBondContact O-CD1 3.15Å; R159-I163 VanDerWaalsContact O-CG1 3.25Å; R159-I163 WeakPolarHBondContact O-CG1 3.33Å; R159-I163 PolarHBondContact O-N 3.03Å; R159-I163 VanDerWaalsContact O-N 3.13Å
160	Q	85.5	Confident	89.9	Confident	109 Å²	109	113.1 Å²	113.1	51%	0.509	54%	0.535	S	S	.	.	H	α-helix	trans	-67.9	-38.2	177.1	-72.2	-179.3	9.2	0	0	112.1	S156 V157 R158 R164	S156-Q160 WeakPolarHBondContact O-CG 2.97Å; S156-Q160 PolarHBondContact O-N 3.42Å; S156-Q160 VanDerWaalsContact O-N 3.11Å; V157-Q160 WeakPolarHBondContact O-CB 3.32Å; V157-Q160 PolarHBondContact O-N 3.48Å; R158-Q160 VanDerWaalsContact C-N 3.34Å; R158-Q160 PolarHBondContact O-N 3.28Å; Q160-R164 WeakPolarHBondContact O-CB 3.3Å; Q160-R164 WeakPolarHBondContact O-CG 3.47Å; Q160-R164 PolarHBondContact O-N 2.98Å
161	E	87.6	Confident	89.8	Confident	119 Å²	119	114 Å²	114	56%	0.556	54%	0.536	S	S	*	.	H	α-helix	trans	-67.2	-42.2	176.6	-71.2	179.6	169	0	0	112.1	V157 R158 R164 K165	V157-E161 HydrophobicContact CG1-CG 4.46Å; V157-E161 PolarHBondContact O-N 3.02Å; R158-E161 PolarHBondContact O-N 3.26Å; E161-R164 PolarHBondContact O-N 3.41Å; E161-K165 WeakPolarHBondContact O-CB 3.39Å; E161-K165 PolarHBondContact O-N 3.25Å
162	E	91.5	Very high	89.6	Confident	134 Å²	134	110.4 Å²	110.4	63%	0.626	53%	0.529	S	S	*	.	H	α-helix	trans	-61.9	-44.7	175.4	-73.9	171.7	-178.8	0	0	112.1	R158 R164 K165 A166	R158-E162 WeakPolarHBondContact O-CG 3.2Å; R158-E162 PolarHBondContact O-N 3.48Å; E162-R164 PolarHBondContact O-N 2.96Å; E162-K165 PolarHBondContact O-N 2.99Å; E162-A166 WeakPolarHBondContact O-CB 3.49Å; E162-A166 PolarHBondContact O-N 2.76Å
163	I	89.4	Confident	89.5	Confident	114 Å²	114	109.5 Å²	109.5	59%	0.585	53%	0.527	S	S	*	.	H	α-helix	trans	-62.6	-42.5	176.6	-68.7	166.5	0	0	0	111.1	R159 A166 T167	R159-I163 WeakPolarHBondContact O-CD1 3.15Å; R159-I163 VanDerWaalsContact O-CG1 3.25Å; R159-I163 WeakPolarHBondContact O-CG1 3.33Å; R159-I163 PolarHBondContact O-N 3.03Å; R159-I163 VanDerWaalsContact O-N 3.13Å; I163-A166 PolarHBondContact O-N 3.03Å; I163-T167 PolarHBondContact O-N 2.72Å; I163-T167 PolarHBondContact O-OG1 3.46Å
164	R	88	Confident	89.7	Confident	175 Å²	175	108.4 Å²	108.4	66%	0.66	52%	0.524	S	S	*	.	H	α-helix	trans	-63.8	-41.8	176.6	-79.2	179.5	177.9	167.9	1.9	112.2	Q160 E161 E162 T167 L168	Q160-R164 WeakPolarHBondContact O-CB 3.3Å; Q160-R164 WeakPolarHBondContact O-CG 3.47Å; Q160-R164 PolarHBondContact O-N 2.98Å; E161-R164 PolarHBondContact O-N 3.41Å; E162-R164 PolarHBondContact O-N 2.96Å; R164-T167 WeakPolarHBondContact CA-OG1 3.46Å; R164-T167 PolarHBondContact O-OG1 3.35Å; R164-T167 VanDerWaalsContact O-OG1 3.04Å; R164-L168 WeakPolarHBondContact O-CB 3.47Å; R164-L168 PolarHBondContact O-N 2.77Å
165	K	90.9	Very high	89.6	Confident	137 Å²	137	109.8 Å²	109.8	60%	0.596	53%	0.529	S	S	*	.	H	α-helix	trans	-64	-45.2	177.3	-171	179	175.4	-173.5	0	111.1	E161 E162 T167 L168 E169	E161-K165 WeakPolarHBondContact O-CB 3.39Å; E161-K165 PolarHBondContact O-N 3.25Å; E162-K165 PolarHBondContact O-N 2.99Å; K165-T167 PolarHBondContact O-N 3.16Å; K165-L168 PolarHBondContact O-N 3.38Å; K165-E169 WeakPolarHBondContact CE-OE1 3.33Å; K165-E169 WeakPolarHBondContact O-CB 3.5Å; K165-E169 WeakPolarHBondContact O-CG 3.38Å; K165-E169 PolarHBondContact O-N 2.77Å
166	A	92.5	Very high	89.6	Confident	58 Å²	58	113.3 Å²	113.3	48%	0.479	54%	0.539	S	S	.	.	H	α-helix	trans	-64.1	-39.8	178.1	0	0	0	0	0	113.2	E162 I163 H170	E162-A166 WeakPolarHBondContact O-CB 3.49Å; E162-A166 PolarHBondContact O-N 2.76Å; I163-A166 PolarHBondContact O-N 3.03Å; A166-H170 WeakPolarHBondContact O-CB 3.32Å; A166-H170 PolarHBondContact O-N 2.84Å; A166-H170 VanDerWaalsContact O-N 3.07Å
167	T	90.7	Very high	89.8	Confident	82 Å²	82	117.2 Å²	117.2	50%	0.503	55%	0.549	S	S	.	.	H	α-helix	trans	-66.6	-42.7	176.2	30.7	0	0	0	0	112.1	I163 R164 K165 H170 E171	I163-T167 PolarHBondContact O-N 2.72Å; I163-T167 PolarHBondContact O-OG1 3.46Å; R164-T167 WeakPolarHBondContact CA-OG1 3.46Å; R164-T167 PolarHBondContact O-OG1 3.35Å; R164-T167 VanDerWaalsContact O-OG1 3.04Å; K165-T167 PolarHBondContact O-N 3.16Å; T167-H170 PolarHBondContact O-N 3.19Å; T167-E171 PolarHBondContact O-N 3.39Å
168	L	87.8	Confident	89.7	Confident	110 Å²	110	121.3 Å²	121.3	58%	0.576	56%	0.558	S	S	*	*	H	α-helix	trans	-67	-39.4	178.3	-167.3	142	0	0	0	112	R164 K165 E171 M172	R164-L168 WeakPolarHBondContact O-CB 3.47Å; R164-L168 PolarHBondContact O-N 2.77Å; K165-L168 PolarHBondContact O-N 3.38Å; L168-E171 PolarHBondContact O-N 2.84Å; L168-M172 HydrophobicContact CD2-CG 4.07Å; L168-M172 WeakPolarHBondContact O-CB 3.4Å; L168-M172 WeakPolarHBondContact O-CG 3.41Å; L168-M172 PolarHBondContact O-N 2.62Å
169	E	89.9	Confident	89.7	Confident	94 Å²	94	119.1 Å²	119.1	44%	0.439	56%	0.555	S	S	.	*	H	α-helix	trans	-62	-42.1	173.4	-76.6	175.5	-174.4	0	0	111.8	K165 M172 Q173	K165-E169 WeakPolarHBondContact CE-OE1 3.33Å; K165-E169 WeakPolarHBondContact O-CB 3.5Å; K165-E169 WeakPolarHBondContact O-CG 3.38Å; K165-E169 PolarHBondContact O-N 2.77Å; E169-M172 PolarHBondContact O-N 3.05Å; E169-Q173 VanDerWaalsContact O-CG 3.31Å; E169-Q173 WeakPolarHBondContact O-CG 3.19Å; E169-Q173 PolarHBondContact O-N 3.2Å
170	H	90	Very high	89.6	Confident	115 Å²	115	115 Å²	115	53%	0.532	55%	0.545	S	S	.	.	H	α-helix	trans	-66	-42.3	177.2	-171.7	-97.9	0	0	0	112.5	A166 T167 Q173 L174	A166-H170 WeakPolarHBondContact O-CB 3.32Å; A166-H170 PolarHBondContact O-N 2.84Å; A166-H170 VanDerWaalsContact O-N 3.07Å; T167-H170 PolarHBondContact O-N 3.19Å; H170-Q173 PolarHBondContact O-N 3.47Å; H170-L174 VanDerWaalsContact CE1-CD1 3.47Å; H170-L174 WeakPolarHBondContact CE1-CD1 3.31Å; H170-L174 PolarHBondContact O-N 3.26Å
171	E	88.3	Confident	89.8	Confident	116 Å²	116	115.7 Å²	115.7	54%	0.542	55%	0.548	S	S	.	.	H	α-helix	trans	-63.3	-42.4	174.5	-77	-169.9	174.3	0	0	112.5	T167 L168 L174 K175	T167-E171 PolarHBondContact O-N 3.39Å; L168-E171 PolarHBondContact O-N 2.84Å; E171-L174 PolarHBondContact O-N 3.47Å; E171-K175 WeakPolarHBondContact O-CB 3.47Å; E171-K175 WeakPolarHBondContact O-CG 3.48Å; E171-K175 PolarHBondContact O-N 3.26Å
172	M	88.3	Confident	90	Very high	120 Å²	120	115.2 Å²	115.2	59%	0.591	54%	0.544	S	S	*	.	H	α-helix	trans	-63.2	-41.6	177.4	-74.2	-73.6	-72.2	0	0	111.6	L168 E169 K175 H176	L168-M172 HydrophobicContact CD2-CG 4.07Å; L168-M172 WeakPolarHBondContact O-CB 3.4Å; L168-M172 WeakPolarHBondContact O-CG 3.41Å; L168-M172 PolarHBondContact O-N 2.62Å; E169-M172 PolarHBondContact O-N 3.05Å; M172-K175 PolarHBondContact O-N 3.49Å; M172-H176 WeakPolarHBondContact O-CB 3.3Å; M172-H176 PolarHBondContact O-N 3Å
173	Q	90.8	Very high	89.8	Confident	116 Å²	116	113.2 Å²	113.2	54%	0.542	54%	0.541	S	S	.	.	H	α-helix	trans	-65.4	-40.4	176.4	-73.3	177.5	13	0	0	112.5	E169 H170 H176 K177	E169-Q173 VanDerWaalsContact O-CG 3.31Å; E169-Q173 WeakPolarHBondContact O-CG 3.19Å; E169-Q173 PolarHBondContact O-N 3.2Å; H170-Q173 PolarHBondContact O-N 3.47Å; Q173-H176 PolarHBondContact O-N 3.14Å; Q173-K177 WeakPolarHBondContact O-CG 3.42Å; Q173-K177 PolarHBondContact O-N 3.44Å; Q173-K177 VanDerWaalsContact O-N 3.07Å
174	L	89.8	Confident	89.9	Confident	95 Å²	95	115.6 Å²	115.6	50%	0.497	54%	0.543	S	S	.	.	H	α-helix	trans	-65.2	-45	175.5	-78.8	168.9	0	0	0	112	H170 E171 H176 K177 Y178	H170-L174 VanDerWaalsContact CE1-CD1 3.47Å; H170-L174 WeakPolarHBondContact CE1-CD1 3.31Å; H170-L174 PolarHBondContact O-N 3.26Å; E171-L174 PolarHBondContact O-N 3.47Å; L174-H176 PolarHBondContact O-N 3.04Å; L174-K177 PolarHBondContact O-N 3.04Å; L174-Y178 PolarHBondContact O-N 3.37Å
175	K	89.3	Confident	89.7	Confident	126 Å²	126	112.5 Å²	112.5	55%	0.548	54%	0.536	S	S	.	.	H	α-helix	trans	-59.9	-44.7	175.5	-76.4	178	179	170.1	0	111.6	E171 M172 K177 Y178 E179	E171-K175 WeakPolarHBondContact O-CB 3.47Å; E171-K175 WeakPolarHBondContact O-CG 3.48Å; E171-K175 PolarHBondContact O-N 3.26Å; M172-K175 PolarHBondContact O-N 3.49Å; K175-K177 PolarHBondContact O-N 3.38Å; K175-Y178 PolarHBondContact O-N 3.22Å; K175-E179 WeakPolarHBondContact O-CG 3.46Å; K175-E179 PolarHBondContact O-N 3.35Å
176	H	91.1	Very high	89.6	Confident	114 Å²	114	110.7 Å²	110.7	53%	0.528	53%	0.529	S	S	.	.	H	α-helix	trans	-63.1	-41	178.9	-172.2	58.8	0	0	0	112.7	M172 Q173 L174 L180	M172-H176 WeakPolarHBondContact O-CB 3.3Å; M172-H176 PolarHBondContact O-N 3Å; Q173-H176 PolarHBondContact O-N 3.14Å; L174-H176 PolarHBondContact O-N 3.04Å; H176-L180 WeakPolarHBondContact NE2-CD1 3.4Å; H176-L180 WeakPolarHBondContact O-CB 3.45Å; H176-L180 PolarHBondContact O-N 3.41Å
177	K	91.2	Very high	89.4	Confident	132 Å²	132	110.4 Å²	110.4	57%	0.574	53%	0.527	S	S	*	.	H	α-helix	trans	-62.1	-45.8	174.3	-74.9	177.8	179.7	179.6	0	111.8	Q173 L174 K175 L180 E181	Q173-K177 WeakPolarHBondContact O-CG 3.42Å; Q173-K177 PolarHBondContact O-N 3.44Å; Q173-K177 VanDerWaalsContact O-N 3.07Å; L174-K177 PolarHBondContact O-N 3.04Å; K175-K177 PolarHBondContact O-N 3.38Å; K177-L180 PolarHBondContact O-N 3.3Å; K177-E181 PolarHBondContact O-N 3.19Å
178	Y	90.7	Very high	89.3	Confident	154 Å²	154	112.6 Å²	112.6	60%	0.604	53%	0.529	S	S	*	.	H	α-helix	trans	-63.7	-41.5	178.7	-178.2	-99.9	0	0	0	112.6	L174 K175 E181 K182	L174-Y178 PolarHBondContact O-N 3.37Å; K175-Y178 PolarHBondContact O-N 3.22Å; Y178-E181 PolarHBondContact O-N 3.46Å; Y178-K182 HydrophobicContact CE1-CD 4.44Å; Y178-K182 WeakPolarHBondContact O-CB 3.44Å; Y178-K182 PolarHBondContact O-N 2.91Å
179	E	89	Confident	89.1	Confident	118 Å²	118	110.3 Å²	110.3	55%	0.551	53%	0.526	S	S	*	.	H	α-helix	trans	-64.8	-42.4	176	-75.5	179.1	175	0	0	112.2	K175 E181 K182 V183	K175-E179 WeakPolarHBondContact O-CG 3.46Å; K175-E179 PolarHBondContact O-N 3.35Å; E179-E181 PolarHBondContact O-N 3.23Å; E179-K182 PolarHBondContact O-N 2.86Å; E179-V183 WeakPolarHBondContact O-CB 3.22Å; E179-V183 VanDerWaalsContact O-CG2 3.3Å; E179-V183 WeakPolarHBondContact O-CG2 3.19Å; E179-V183 PolarHBondContact O-N 3.3Å
180	L	89.8	Confident	88.8	Confident	76 Å²	76	112.2 Å²	112.2	40%	0.398	53%	0.533	S	S	.	.	H	α-helix	trans	-60.9	-43.1	175.6	-85.6	168.2	0	0	0	112.3	H176 K177 R184	H176-L180 WeakPolarHBondContact NE2-CD1 3.4Å; H176-L180 WeakPolarHBondContact O-CB 3.45Å; H176-L180 PolarHBondContact O-N 3.41Å; K177-L180 PolarHBondContact O-N 3.3Å; L180-R184 WeakPolarHBondContact O-CB 2.91Å; L180-R184 VanDerWaalsContact O-CG 3.28Å; L180-R184 WeakPolarHBondContact O-CG 3.09Å; L180-R184 PolarHBondContact O-N 2.84Å
181	E	89.3	Confident	88.5	Confident	125 Å²	125	110 Å²	110	58%	0.584	53%	0.528	S	S	*	.	H	α-helix	trans	-65.3	-44.4	176.3	-75.6	178.7	175.4	0	0	111.6	K177 Y178 E179 V183 R184 E185	K177-E181 PolarHBondContact O-N 3.19Å; Y178-E181 PolarHBondContact O-N 3.46Å; E179-E181 PolarHBondContact O-N 3.23Å; E181-V183 PolarHBondContact O-N 3.35Å; E181-R184 PolarHBondContact O-N 3.46Å; E181-E185 PolarHBondContact O-N 3.02Å
182	K	91.4	Very high	88.4	Confident	108 Å²	108	106.8 Å²	106.8	47%	0.47	52%	0.521	S	S	.	.	H	α-helix	trans	-61.6	-43.8	177.5	-172.6	177.2	-179.7	179.6	0	112.2	Y178 E179 Q186	Y178-K182 HydrophobicContact CE1-CD 4.44Å; Y178-K182 WeakPolarHBondContact O-CB 3.44Å; Y178-K182 PolarHBondContact O-N 2.91Å; E179-K182 PolarHBondContact O-N 2.86Å; K182-Q186 WeakPolarHBondContact O-CB 3.41Å; K182-Q186 VanDerWaalsContact O-CG 3.26Å; K182-Q186 WeakPolarHBondContact O-CG 3.49Å; K182-Q186 PolarHBondContact O-N 2.92Å
183	V	88.8	Confident	88	Confident	93 Å²	93	103.2 Å²	103.2	56%	0.564	51%	0.511	S	S	*	.	H	α-helix	trans	-65.4	-40.5	177	171.8	0	0	0	0	110.9	E179 E181 Q186 A187	E179-V183 WeakPolarHBondContact O-CB 3.22Å; E179-V183 VanDerWaalsContact O-CG2 3.3Å; E179-V183 WeakPolarHBondContact O-CG2 3.19Å; E179-V183 PolarHBondContact O-N 3.3Å; E181-V183 PolarHBondContact O-N 3.35Å; V183-Q186 PolarHBondContact O-N 2.87Å; V183-A187 VanDerWaalsContact O-CB 3.3Å; V183-A187 WeakPolarHBondContact O-CB 3.06Å; V183-A187 PolarHBondContact O-N 2.81Å
184	R	90.4	Very high	87.4	Confident	163 Å²	163	103.9 Å²	103.9	62%	0.615	51%	0.514	S	S	*	.	H	α-helix	trans	-62.1	-46.7	176.3	-79.5	176	-180	179.7	1	112.3	L180 E181 A187 K188	L180-R184 WeakPolarHBondContact O-CB 2.91Å; L180-R184 VanDerWaalsContact O-CG 3.28Å; L180-R184 WeakPolarHBondContact O-CG 3.09Å; L180-R184 PolarHBondContact O-N 2.84Å; E181-R184 PolarHBondContact O-N 3.46Å; R184-A187 PolarHBondContact O-N 2.88Å; R184-K188 WeakPolarHBondContact O-CG 3.28Å; R184-K188 PolarHBondContact O-N 3.03Å
185	E	84.5	Confident	86.9	Confident	111 Å²	111	108.9 Å²	108.9	52%	0.519	53%	0.526	S	S	.	.	H	α-helix	trans	-68.2	-39.1	179.3	-70.7	-54.5	129.6	0	0	111.9	E181 A187 K188 A189	E181-E185 PolarHBondContact O-N 3.02Å; E185-A187 PolarHBondContact O-N 2.79Å; E185-K188 PolarHBondContact O-N 2.96Å; E185-K188 IonicContact OE1-NZ 2.81Å; E185-K188 PolarHBondContact OE1-NZ 3.28Å; E185-A189 WeakPolarHBondContact O-CB 3.31Å; E185-A189 PolarHBondContact O-N 3.01Å
186	Q	87.6	Confident	86.4	Confident	99 Å²	99	110.8 Å²	110.8	46%	0.463	54%	0.537	S	S	.	.	H	α-helix	trans	-64.4	-39.1	173.2	-74.7	-177.4	-7.3	0	0	112.8	K182 V183 K190	K182-Q186 WeakPolarHBondContact O-CB 3.41Å; K182-Q186 VanDerWaalsContact O-CG 3.26Å; K182-Q186 WeakPolarHBondContact O-CG 3.49Å; K182-Q186 PolarHBondContact O-N 2.92Å; V183-Q186 PolarHBondContact O-N 2.87Å; Q186-K190 WeakPolarHBondContact O-CB 3.2Å; Q186-K190 VanDerWaalsContact O-CG 3.3Å; Q186-K190 WeakPolarHBondContact O-CG 3.18Å; Q186-K190 PolarHBondContact O-N 3.37Å
187	A	88.2	Confident	85.5	Confident	51 Å²	51	109.9 Å²	109.9	42%	0.421	54%	0.536	S	S	.	.	H	α-helix	trans	-65.5	-43.9	176.5	0	0	0	0	0	111.6	V183 R184 E185 K190 V191	V183-A187 VanDerWaalsContact O-CB 3.3Å; V183-A187 WeakPolarHBondContact O-CB 3.06Å; V183-A187 PolarHBondContact O-N 2.81Å; R184-A187 PolarHBondContact O-N 2.88Å; E185-A187 PolarHBondContact O-N 2.79Å; A187-K190 PolarHBondContact O-N 3.47Å; A187-V191 VanDerWaalsContact O-CG2 3.31Å; A187-V191 WeakPolarHBondContact O-CG2 3.5Å; A187-V191 PolarHBondContact O-N 3.33Å
188	K	89.3	Confident	84.6	Confident	128 Å²	128	112.1 Å²	112.1	56%	0.557	54%	0.541	S	S	*	.	H	α-helix	trans	-60.8	-45.4	174.9	-71.5	175.4	-171	167.5	0	112	R184 E185 V191 A192	R184-K188 WeakPolarHBondContact O-CG 3.28Å; R184-K188 PolarHBondContact O-N 3.03Å; E185-K188 PolarHBondContact O-N 2.96Å; E185-K188 IonicContact OE1-NZ 2.81Å; E185-K188 PolarHBondContact OE1-NZ 3.28Å; K188-V191 PolarHBondContact O-N 3.36Å; K188-A192 PolarHBondContact O-N 3.05Å
189	A	83.3	Confident	83.8	Confident	62 Å²	62	110.9 Å²	110.9	51%	0.512	54%	0.544	S	S	.	.	H	α-helix	trans	-63.2	-41	178.6	0	0	0	0	0	112.2	E185 A192 A193	E185-A189 WeakPolarHBondContact O-CB 3.31Å; E185-A189 PolarHBondContact O-N 3.01Å; A189-A192 PolarHBondContact O-N 3.44Å; A189-A193 WeakPolarHBondContact O-CB 3.45Å; A189-A193 PolarHBondContact O-N 3.46Å
190	K	84.8	Confident	82.9	Confident	134 Å²	134	109 Å²	109	58%	0.583	54%	0.541	S	S	*	.	H	α-helix	trans	-63.6	-44.4	174.8	-75.9	178.4	179.6	-176.7	0	112.3	Q186 A187 A192 A193 E194	Q186-K190 WeakPolarHBondContact O-CB 3.2Å; Q186-K190 VanDerWaalsContact O-CG 3.3Å; Q186-K190 WeakPolarHBondContact O-CG 3.18Å; Q186-K190 PolarHBondContact O-N 3.37Å; A187-K190 PolarHBondContact O-N 3.47Å; K190-A192 VanDerWaalsContact C-N 3.31Å; K190-A192 PolarHBondContact O-N 3Å; K190-A193 PolarHBondContact O-N 3.45Å; K190-E194 WeakPolarHBondContact O-CB 3.21Å; K190-E194 WeakPolarHBondContact O-CG 3.31Å; K190-E194 PolarHBondContact O-N 3.3Å
191	V	82.5	Confident	82.1	Confident	70 Å²	70	112 Å²	112	42%	0.424	55%	0.548	S	S	.	.	H	α-helix	trans	-62.9	-37.5	177.7	172.2	0	0	0	0	111.6	A187 K188 R195	A187-V191 VanDerWaalsContact O-CG2 3.31Å; A187-V191 WeakPolarHBondContact O-CG2 3.5Å; A187-V191 PolarHBondContact O-N 3.33Å; K188-V191 PolarHBondContact O-N 3.36Å; V191-R195 VanDerWaalsContact O-CG 3.27Å; V191-R195 WeakPolarHBondContact O-CG 3.45Å; V191-R195 PolarHBondContact O-N 3.47Å
192	A	86.5	Confident	81.4	Confident	48 Å²	48	110.5 Å²	110.5	40%	0.397	54%	0.543	S	S	.	.	H	α-helix	trans	-66	-47	174.3	0	0	0	0	0	111.7	K188 A189 K190 E194 R195 E196	K188-A192 PolarHBondContact O-N 3.05Å; A189-A192 PolarHBondContact O-N 3.44Å; K190-A192 VanDerWaalsContact C-N 3.31Å; K190-A192 PolarHBondContact O-N 3Å; A192-E194 PolarHBondContact O-N 3.47Å; A192-R195 PolarHBondContact O-N 3.31Å; A192-E196 PolarHBondContact O-N 2.94Å
193	A	79.9	Confident	80.6	Confident	45 Å²	45	112.1 Å²	112.1	37%	0.372	55%	0.553	S	S	.	*	H	α-helix	trans	-63.9	-37.5	179.3	0	0	0	0	0	113.2	A189 K190 R195 N197	A189-A193 WeakPolarHBondContact O-CB 3.45Å; A189-A193 PolarHBondContact O-N 3.46Å; K190-A193 PolarHBondContact O-N 3.45Å; A193-R195 VanDerWaalsContact C-N 3.35Å; A193-N197 WeakPolarHBondContact O-CB 3.49Å; A193-N197 PolarHBondContact O-N 3Å; A193-N197 VanDerWaalsContact O-N 3.12Å
194	E	78.5	Confident	80.1	Confident	130 Å²	130	112.8 Å²	112.8	61%	0.607	55%	0.549	S	S	*	.	H	α-helix	trans	-70.1	-29.9	176.5	-75.4	176	-176.4	0	0	112.7	K190 A192 R198	K190-E194 WeakPolarHBondContact O-CB 3.21Å; K190-E194 WeakPolarHBondContact O-CG 3.31Å; K190-E194 PolarHBondContact O-N 3.3Å; A192-E194 PolarHBondContact O-N 3.47Å; E194-R198 PolarHBondContact O-N 3.24Å
195	R	79.1	Confident	79.4	Confident	200 Å²	200	108.5 Å²	108.5	76%	0.755	54%	0.538	S	S	*	.	H	α-helix	trans	-69.8	-37.9	175.4	-76.3	174.2	-176.8	-169.9	1.3	112.2	V191 A192 A193	V191-R195 VanDerWaalsContact O-CG 3.27Å; V191-R195 WeakPolarHBondContact O-CG 3.45Å; V191-R195 PolarHBondContact O-N 3.47Å; A192-R195 PolarHBondContact O-N 3.31Å; A193-R195 VanDerWaalsContact C-N 3.35Å
196	E	78.2	Confident	79.1	Confident	165 Å²	165	111 Å²	111	77%	0.771	55%	0.547	S	S	*	.	H	α-helix	trans	-77.3	-33.9	179.8	-68.5	176.3	-179.7	0	0	112.5	A192	A192-E196 PolarHBondContact O-N 2.94Å
197	N	72.5	Confident	78.6	Confident	95 Å²	95	111.7 Å²	111.7	51%	0.508	55%	0.554	S	S	.	*	S	Bend	trans	-99.3	19.7	-174.7	-75.8	-28.9	0	0	0	115.2	A193 D199 V200 Y201	A193-N197 WeakPolarHBondContact O-CB 3.49Å; A193-N197 PolarHBondContact O-N 3Å; A193-N197 VanDerWaalsContact O-N 3.12Å; N197-D199 VanDerWaalsContact C-N 3.27Å; N197-D199 PolarHBondContact O-N 3.37Å; N197-V200 PolarHBondContact O-N 3.29Å; N197-Y201 PolarHBondContact O-N 3.39Å
198	R	72.5	Confident	78.1	Confident	180 Å²	180	115.3 Å²	115.3	68%	0.679	56%	0.56	S	S	*	*	H	α-helix	trans	-54.9	-40.8	-172.5	-173.8	175.7	171.6	116.8	-2.5	113.4	E194 L202	E194-R198 PolarHBondContact O-N 3.24Å; R198-L202 PolarHBondContact O-N 2.71Å
199	D	74.2	Confident	77.5	Confident	128 Å²	128	114.6 Å²	114.6	68%	0.684	56%	0.559	S	S	*	*	H	α-helix	trans	-73.9	-41.8	-175	-62.1	-19	0	0	0	111.9	N197 Y201	N197-D199 VanDerWaalsContact C-N 3.27Å; N197-D199 PolarHBondContact O-N 3.37Å; D199-Y201 PolarHBondContact O-N 3.06Å
200	V	69.5	Low	77.2	Confident	79 Å²	79	114.6 Å²	114.6	48%	0.479	56%	0.555	S	S	.	*	H	α-helix	trans	-68.2	-35	178.6	-176.9	0	0	0	0	111.6	N197 Q204	N197-V200 PolarHBondContact O-N 3.29Å; V200-Q204 WeakPolarHBondContact O-CG 3.35Å; V200-Q204 PolarHBondContact O-N 3.46Å
201	Y	73	Confident	76.8	Confident	139 Å²	139	114.4 Å²	114.4	55%	0.545	56%	0.556	S	S	.	*	H	α-helix	trans	-69	-38.2	-179.4	-169	-98.7	0	0	0	112.6	N197 D199 E203 Q204 L205	N197-Y201 PolarHBondContact O-N 3.39Å; D199-Y201 PolarHBondContact O-N 3.06Å; Y201-E203 PolarHBondContact O-N 3.16Å; Y201-Q204 PolarHBondContact O-N 3.33Å; Y201-L205 HydrophobicContact CE1-CD1 3.74Å; Y201-L205 WeakPolarHBondContact O-CB 3.41Å; Y201-L205 PolarHBondContact O-N 3.01Å
202	L	74.3	Confident	76.3	Confident	93 Å²	93	119.7 Å²	119.7	49%	0.487	57%	0.569	S	S	.	*	H	α-helix	trans	-65.1	-37.9	179.9	-79.2	168.7	0	0	0	112.6	R198 K206	R198-L202 PolarHBondContact O-N 2.71Å; L202-K206 PolarHBondContact O-N 3.47Å
203	E	74.8	Confident	75.5	Confident	142 Å²	142	126 Å²	126	66%	0.664	58%	0.582	S	S	*	*	H	α-helix	trans	-68	-43.6	175.2	-73.5	-170.1	156.6	0	0	111.9	Y201 L205 K206 L207	Y201-E203 PolarHBondContact O-N 3.16Å; E203-L205 VanDerWaalsContact C-N 3.34Å; E203-L205 PolarHBondContact O-N 2.95Å; E203-K206 PolarHBondContact O-N 3.11Å; E203-L207 PolarHBondContact O-N 2.7Å
204	Q	77.7	Confident	75.4	Confident	106 Å²	106	129.8 Å²	129.8	50%	0.495	60%	0.595	S	S	.	*	H	α-helix	trans	-65.7	-34.7	177.8	-70.8	-175.8	6.6	0	0	113	V200 Y201 K208	V200-Q204 WeakPolarHBondContact O-CG 3.35Å; V200-Q204 PolarHBondContact O-N 3.46Å; Y201-Q204 PolarHBondContact O-N 3.33Å; Q204-K208 WeakPolarHBondContact O-CB 3.42Å; Q204-K208 PolarHBondContact O-N 2.92Å
205	L	76.4	Confident	75.2	Confident	73 Å²	73	127.9 Å²	127.9	38%	0.382	59%	0.592	S	S	.	*	H	α-helix	trans	-65.6	-42.9	179.2	-153.3	86	0	0	0	111.5	Y201 E203 K208 E209	Y201-L205 HydrophobicContact CE1-CD1 3.74Å; Y201-L205 WeakPolarHBondContact O-CB 3.41Å; Y201-L205 PolarHBondContact O-N 3.01Å; E203-L205 VanDerWaalsContact C-N 3.34Å; E203-L205 PolarHBondContact O-N 2.95Å; L205-K208 PolarHBondContact O-N 3.11Å; L205-E209 PolarHBondContact O-N 2.93Å
206	K	78.8	Confident	74.8	Confident	163 Å²	163	122.2 Å²	122.2	71%	0.709	58%	0.58	S	S	*	*	H	α-helix	trans	-62.3	-43.8	177.9	-75.7	-179.4	179.1	175.7	0	112	L202 E203 S210	L202-K206 PolarHBondContact O-N 3.47Å; E203-K206 PolarHBondContact O-N 3.11Å; K206-S210 PolarHBondContact O-N 2.73Å; K206-S210 PolarHBondContact O-OG 3.22Å
207	L	75.9	Confident	74.4	Confident	115 Å²	115	120.8 Å²	120.8	60%	0.602	58%	0.576	S	S	*	*	H	α-helix	trans	-66.7	-43.3	178.5	-73	168.4	0	0	0	112.1	E203 E209 S210 E211	E203-L207 PolarHBondContact O-N 2.7Å; L207-E209 PolarHBondContact O-N 3.31Å; L207-S210 PolarHBondContact O-N 3.17Å; L207-S210 PolarHBondContact O-OG 3.23Å; L207-E211 PolarHBondContact O-N 2.88Å
208	K	78.8	Confident	74.3	Confident	127 Å²	127	123 Å²	123	55%	0.552	58%	0.584	S	S	*	*	H	α-helix	trans	-65.3	-34.4	177.7	-90.5	178.4	175.6	167.6	0	113.8	Q204 L205 R212	Q204-K208 WeakPolarHBondContact O-CB 3.42Å; Q204-K208 PolarHBondContact O-N 2.92Å; L205-K208 PolarHBondContact O-N 3.11Å; K208-R212 PolarHBondContact O-N 3.43Å
209	E	76.1	Confident	74.2	Confident	112 Å²	112	118 Å²	118	52%	0.523	58%	0.576	S	S	.	*	H	α-helix	trans	-69.7	-34.5	177.2	-79.6	-161	169.4	0	0	112.7	L205 L207 R213	L205-E209 PolarHBondContact O-N 2.93Å; L207-E209 PolarHBondContact O-N 3.31Å; E209-R213 WeakPolarHBondContact O-CG 3.3Å; E209-R213 PolarHBondContact O-N 2.93Å
210	S	77	Confident	73.8	Confident	62 Å²	62	117.6 Å²	117.6	43%	0.434	57%	0.573	S	S	.	*	H	α-helix	trans	-66.4	-39.4	174.9	45.9	0	0	0	0	112.7	K206 L207	K206-S210 PolarHBondContact O-N 2.73Å; K206-S210 PolarHBondContact O-OG 3.22Å; L207-S210 PolarHBondContact O-N 3.17Å; L207-S210 PolarHBondContact O-OG 3.23Å
211	E	77.1	Confident	73.6	Confident	131 Å²	131	122.3 Å²	122.3	61%	0.612	59%	0.587	S	S	*	*	H	α-helix	trans	-72.4	-41.5	-178.7	-69.4	179.3	166.9	0	0	112.6	L207 R213 I214 T215	L207-E211 PolarHBondContact O-N 2.88Å; E211-R213 VanDerWaalsContact C-N 3.34Å; E211-R213 PolarHBondContact O-N 2.86Å; E211-I214 PolarHBondContact O-N 3.15Å; E211-T215 PolarHBondContact O-N 3.03Å; E211-T215 PolarHBondContact O-OG1 3.05Å
212	R	70.8	Confident	73	Confident	181 Å²	181	120.3 Å²	120.3	68%	0.683	59%	0.589	S	S	*	*	H	α-helix	trans	-64.5	-34	-178.9	-79.7	-175.8	174.9	-169.1	-1.5	113.8	K208 I214 T215 V216	K208-R212 PolarHBondContact O-N 3.43Å; R212-I214 PolarHBondContact O-N 3.12Å; R212-T215 PolarHBondContact O-N 3.32Å; R212-V216 WeakPolarHBondContact O-CG2 3.48Å; R212-V216 PolarHBondContact O-N 3.2Å
213	R	71.4	Confident	72.2	Confident	181 Å²	181	118 Å²	118	68%	0.683	59%	0.588	S	S	*	*	H	α-helix	trans	-63.1	-31.7	179.2	-75.2	-178.5	-175.1	-169	4	112	E209 E211	E209-R213 WeakPolarHBondContact O-CG 3.3Å; E209-R213 PolarHBondContact O-N 2.93Å; E211-R213 VanDerWaalsContact C-N 3.34Å; E211-R213 PolarHBondContact O-N 2.86Å
214	I	76.2	Confident	71.3	Confident	124 Å²	124	114.3 Å²	114.3	64%	0.636	59%	0.588	S	S	*	*	H	α-helix	trans	-78.2	-44.8	-178.6	-59.6	172.4	0	0	0	110.5	E211 R212 V216	E211-I214 PolarHBondContact O-N 3.15Å; R212-I214 PolarHBondContact O-N 3.12Å; I214-V216 PolarHBondContact O-N 3.17Å
215	T	74.6	Confident	70.3	Confident	90 Å²	90	117.2 Å²	117.2	55%	0.552	60%	0.601	S	S	*	*	H	α-helix	trans	-70	-35.3	-175.1	1.7	0	0	0	0	113.8	E211 R212 E218 S219	E211-T215 PolarHBondContact O-N 3.03Å; E211-T215 PolarHBondContact O-OG1 3.05Å; R212-T215 PolarHBondContact O-N 3.32Å; T215-E218 PolarHBondContact O-N 3.24Å; T215-S219 PolarHBondContact O-N 3.44Å
216	V	70.4	Confident	69.3	Low	81 Å²	81	120.1 Å²	120.1	49%	0.491	62%	0.616	S	S	.	*	H	α-helix	trans	-68.7	-39	-177.5	173.8	0	0	0	0	111.6	R212 I214 E218 S219 I220	R212-V216 WeakPolarHBondContact O-CG2 3.48Å; R212-V216 PolarHBondContact O-N 3.2Å; I214-V216 PolarHBondContact O-N 3.17Å; V216-E218 VanDerWaalsContact C-N 3.27Å; V216-E218 PolarHBondContact O-N 3.09Å; V216-S219 PolarHBondContact O-N 3.34Å; V216-S219 PolarHBondContact O-OG 3.47Å; V216-I220 HydrophobicContact CG1-CD1 3.98Å
217	L	70.2	Confident	68.3	Low	134 Å²	134	118.2 Å²	118.2	70%	0.702	61%	0.613	S	S	*	*	H	α-helix	trans	-65.5	-30.3	-179.2	-76.5	170.2	0	0	0	113
218	E	71.6	Confident	67.4	Low	142 Å²	142	115.4 Å²	115.4	66%	0.664	61%	0.612	S	S	*	*	H	α-helix	trans	-78.6	-38.8	-178.7	-152.9	168.8	-158.9	0	0	112	T215 V216 I220 T222	T215-E218 PolarHBondContact O-N 3.24Å; V216-E218 VanDerWaalsContact C-N 3.27Å; V216-E218 PolarHBondContact O-N 3.09Å; E218-I220 PolarHBondContact O-N 2.95Å; E218-T222 PolarHBondContact O-OG1 3.25Å
219	S	69.1	Low	66.5	Low	75 Å²	75	113.3 Å²	113.3	52%	0.524	61%	0.613	S	S	.	*	H	α-helix	trans	-68	-31.8	-179.3	66.9	0	0	0	0	114.9	T215 V216 T222 G223	T215-S219 PolarHBondContact O-N 3.44Å; V216-S219 PolarHBondContact O-N 3.34Å; V216-S219 PolarHBondContact O-OG 3.47Å; S219-T222 PolarHBondContact O-N 3.38Å; S219-G223 PolarHBondContact O-N 2.93Å
220	I	66.5	Low	65.7	Low	119 Å²	119	111.4 Å²	111.4	61%	0.61	61%	0.612	S	S	*	*	H	α-helix	trans	-71.9	-33.6	-176.7	-66.4	171.4	0	0	0	111.8	V216 E218 T222	V216-I220 HydrophobicContact CG1-CD1 3.98Å; E218-I220 PolarHBondContact O-N 2.95Å; I220-T222 VanDerWaalsContact C-N 3.31Å; I220-T222 PolarHBondContact O-N 3.19Å
221	K	64.1	Low	64.8	Low	179 Å²	179	114.7 Å²	114.7	78%	0.778	62%	0.624	S	S	*	*	H	α-helix	trans	-67	-31.8	178.4	-97.8	-179	174.6	177.9	0	112.8
222	T	62.1	Low	63.9	Low	97 Å²	97	116 Å²	116	60%	0.595	63%	0.63	S	S	*	*	H	α-helix	trans	-85.3	-32.1	-173.3	-35.3	0	0	0	0	113.1	E218 S219 I220	E218-T222 PolarHBondContact O-OG1 3.25Å; S219-T222 PolarHBondContact O-N 3.38Å; I220-T222 VanDerWaalsContact C-N 3.31Å; I220-T222 PolarHBondContact O-N 3.19Å
223	G	56.9	Low	63.4	Low	45 Å²	45	110.6 Å²	110.6	46%	0.464	62%	0.624	S	S	.	*	H	α-helix	trans	-73.6	-29.4	-178.4	0	0	0	0	0	115.2	S219 Q225	S219-G223 PolarHBondContact O-N 2.93Å; G223-Q225 PolarHBondContact O-N 3.04Å
224	G	56	Low	62.8	Low	63 Å²	63	111 Å²	111	65%	0.649	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-25.3	-173.6	0	0	0	0	0	115.5
225	Q	55.6	Low	62.1	Low	168 Å²	168	111.1 Å²	111.1	79%	0.785	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-15.2	-174.6	-72.3	-177.3	-21.8	0	0	114.4	G223	G223-Q225 PolarHBondContact O-N 3.04Å
226	L	56.5	Low	61.5	Low	133 Å²	133	109.7 Å²	109.7	70%	0.696	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-23.4	-173.4	-86.6	157.8	0	0	0	115.5
227	I	58.2	Low	61.4	Low	123 Å²	123	110.4 Å²	110.4	63%	0.631	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-30	-175	-65.7	174.1	0	0	0	112.3	S229 S230	I227-S229 VanDerWaalsContact C-N 3.35Å; I227-S229 PolarHBondContact O-N 2.85Å; I227-S230 PolarHBondContact O-OG 3.1Å
228	G	56	Low	61	Low	56 Å²	56	111.4 Å²	111.4	58%	0.577	65%	0.647	S	S	*	*	H	α-helix	trans	-67.2	-28.7	-174	0	0	0	0	0	115
229	S	59.4	Low	60.8	Low	84 Å²	84	107.6 Å²	107.6	59%	0.587	65%	0.645	S	S	*	*	H	α-helix	trans	-84.7	-19.8	-173.4	49.5	0	0	0	0	114.7	I227	I227-S229 VanDerWaalsContact C-N 3.35Å; I227-S229 PolarHBondContact O-N 2.85Å
230	S	60	Low	60.5	Low	72 Å²	72	112.4 Å²	112.4	50%	0.503	65%	0.652	S	S	.	*	H	α-helix	trans	-85.2	-32.4	-174.9	62.6	0	0	0	0	114.2	I227	I227-S230 PolarHBondContact O-OG 3.1Å
231	L	57.8	Low	60.3	Low	130 Å²	130	112.5 Å²	112.5	68%	0.681	65%	0.653	S	S	*	*	H	α-helix	trans	-74.3	-30.8	179.4	-88.8	159.7	0	0	0	113.1	A233 F234	L231-A233 VanDerWaalsContact C-N 3.26Å; L231-A233 PolarHBondContact O-N 3.43Å; L231-F234 PolarHBondContact O-N 3.02Å
232	Q	58.8	Low	60.4	Low	159 Å²	159	111.4 Å²	111.4	74%	0.743	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-70	-22.6	179.3	-121.9	173.7	0.2	0	0	112.8	T235	Q232-T235 PolarHBondContact O-OG1 3.37Å
233	A	59.3	Low	60.8	Low	67 Å²	67	113.6 Å²	113.6	55%	0.554	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-76.1	-19	-180	0	0	0	0	0	114.6	L231	L231-A233 VanDerWaalsContact C-N 3.26Å; L231-A233 PolarHBondContact O-N 3.43Å
234	F	58.7	Low	61.7	Low	190 Å²	190	114.9 Å²	114.9	83%	0.833	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-86.6	-11.6	-177.6	-91.8	-82.3	0	0	0	114.7	L231	L231-F234 PolarHBondContact O-N 3.02Å
235	T	62.4	Low	62.7	Low	126 Å²	126	116.1 Å²	116.1	77%	0.773	65%	0.654	S	S	*	*	S	Bend	trans	-97.9	-6.5	-175.2	52.4	0	0	0	0	114.2	Q232	Q232-T235 PolarHBondContact O-OG1 3.37Å
236	G	62.4	Low	64	Low	60 Å²	60	111.9 Å²	111.9	62%	0.619	64%	0.641	S	S	*	*	S	Bend	trans	-98.1	-20.5	-167.3	0	0	0	0	0	118.8
237	D	68.5	Low	65.3	Low	96 Å²	96	107.7 Å²	107.7	51%	0.513	63%	0.63	S	S	.	*			trans	-128.6	95.6	-165.5	-84.8	-22.5	0	0	0	114.3	G239 R240	D237-G239 PolarHBondContact O-N 3.28Å; D237-R240 HydrophobicContact CB-CG 4.14Å; D237-R240 PolarHBondContact O-N 2.91Å; D237-R240 IonicContact OD2-CZ 3.79Å; D237-R240 IonicContact OD2-NE 3.39Å; D237-R240 PolarHBondContact OD2-NE 3.03Å; D237-R240 IonicContact OD2-NH2 3.83Å
238	I	61.7	Low	66.6	Low	156 Å²	156	107.3 Å²	107.3	80%	0.8	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-29.1	170.7	-78	165.7	0	0	0	112.2	R240 L241	I238-R240 VanDerWaalsContact C-N 3.3Å; I238-R240 PolarHBondContact O-N 2.78Å; I238-L241 PolarHBondContact O-N 3.5Å
239	G	66.3	Low	68	Low	61 Å²	61	107.9 Å²	107.9	63%	0.629	62%	0.624	S	S	*	*	H	α-helix	trans	-64.7	-27.6	179.9	0	0	0	0	0	114.6	D237 L241	D237-G239 PolarHBondContact O-N 3.28Å; G239-L241 VanDerWaalsContact C-N 3.31Å; G239-L241 PolarHBondContact O-N 2.61Å
240	R	62.8	Low	69.5	Low	176 Å²	176	108.9 Å²	108.9	66%	0.664	63%	0.626	S	S	*	*	H	α-helix	trans	-76	-19	180	-69	-176.2	-172.8	-169.5	-0	113.2	D237 I238	D237-R240 HydrophobicContact CB-CG 4.14Å; D237-R240 PolarHBondContact O-N 2.91Å; D237-R240 IonicContact OD2-CZ 3.79Å; D237-R240 IonicContact OD2-NE 3.39Å; D237-R240 PolarHBondContact OD2-NE 3.03Å; D237-R240 IonicContact OD2-NH2 3.83Å; I238-R240 VanDerWaalsContact C-N 3.3Å; I238-R240 PolarHBondContact O-N 2.78Å
241	L	63	Low	70.9	Confident	121 Å²	121	111 Å²	111	63%	0.634	63%	0.631	S	S	*	*	H	α-helix	trans	-74.4	-26.3	-179.1	-112.3	156.4	0	0	0	113.4	I238 G239 T244	I238-L241 PolarHBondContact O-N 3.5Å; G239-L241 VanDerWaalsContact C-N 3.31Å; G239-L241 PolarHBondContact O-N 2.61Å; L241-T244 PolarHBondContact O-OG1 3.28Å
242	M	66.3	Low	72.3	Confident	157 Å²	157	107.6 Å²	107.6	77%	0.773	62%	0.621	S	S	*	*	H	α-helix	trans	-72.2	-33.3	177.6	-104	-176	175.5	0	0	112.9	T244	M242-T244 VanDerWaalsContact C-N 3.27Å; M242-T244 PolarHBondContact O-N 2.6Å
243	N	70.1	Confident	73.9	Confident	142 Å²	142	105.6 Å²	105.6	76%	0.759	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-13.7	-179.1	-75.5	-9.8	0	0	0	113.6
244	T	75.8	Confident	75.4	Confident	73 Å²	73	104.4 Å²	104.4	45%	0.448	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.6	-15.4	178.3	48.3	0	0	0	0	113.7	L241 M242 P246 G247 I248	L241-T244 PolarHBondContact O-OG1 3.28Å; M242-T244 VanDerWaalsContact C-N 3.27Å; M242-T244 PolarHBondContact O-N 2.6Å; T244-P246 VanDerWaalsContact C-CD 3.47Å; T244-G247 PolarHBondContact O-N 3.06Å; T244-G247 VanDerWaalsContact O-N 3.08Å; T244-I248 PolarHBondContact O-N 2.98Å
245	V	78.3	Confident	76.8	Confident	89 Å²	89	100.8 Å²	100.8	54%	0.539	60%	0.598	S	S	.	*	H	α-helix	trans	-55.6	-42.6	179.8	-179.8	0	0	0	0	113.6	G247 I248 S249	V245-G247 VanDerWaalsContact C-N 3.28Å; V245-G247 PolarHBondContact O-N 2.99Å; V245-I248 PolarHBondContact O-N 3.43Å; V245-S249 PolarHBondContact O-N 3.2Å
246	P	81.7	Confident	78.1	Confident	78 Å²	78	102 Å²	102	51%	0.506	59%	0.589	S	S	.	*	H	α-helix	trans	-63.3	-31.3	177.3	-20.3	32.4	0	0	0	113.5	T244 S249 V250	T244-P246 VanDerWaalsContact C-CD 3.47Å; P246-S249 PolarHBondContact O-OG 3.41Å; P246-V250 WeakPolarHBondContact O-CG2 3.35Å; P246-V250 PolarHBondContact O-N 2.84Å
247	G	84	Confident	79.4	Confident	45 Å²	45	105 Å²	105	46%	0.464	59%	0.589	S	S	.	*	H	α-helix	trans	-69	-38.6	177.7	0	0	0	0	0	112.2	T244 V245 L251	T244-G247 PolarHBondContact O-N 3.06Å; T244-G247 VanDerWaalsContact O-N 3.08Å; V245-G247 VanDerWaalsContact C-N 3.28Å; V245-G247 PolarHBondContact O-N 2.99Å; G247-L251 PolarHBondContact O-N 3.08Å
248	I	86.3	Confident	80.3	Confident	115 Å²	115	103.1 Å²	103.1	59%	0.59	59%	0.586	S	S	*	*	H	α-helix	trans	-69.5	-38.6	179.6	-60.9	171.5	0	0	0	110.9	T244 V245 L251 A252	T244-I248 PolarHBondContact O-N 2.98Å; V245-I248 PolarHBondContact O-N 3.43Å; I248-L251 PolarHBondContact O-N 3.28Å; I248-A252 PolarHBondContact O-N 3.31Å
249	S	85.2	Confident	81.4	Confident	69 Å²	69	103.2 Å²	103.2	48%	0.483	58%	0.581	S	S	.	*	H	α-helix	trans	-69	-38.5	179.9	63.2	0	0	0	0	113.2	V245 P246 L251 A252 L253	V245-S249 PolarHBondContact O-N 3.2Å; P246-S249 PolarHBondContact O-OG 3.41Å; S249-L251 VanDerWaalsContact C-N 3.35Å; S249-A252 PolarHBondContact O-N 2.98Å; S249-L253 PolarHBondContact O-N 2.87Å
250	V	90	Very high	82.1	Confident	105 Å²	105	104.8 Å²	104.8	64%	0.636	57%	0.572	S	S	*	*	H	α-helix	trans	-62.9	-41.6	174.1	172.1	0	0	0	0	111.2	P246 L253 G254	P246-V250 WeakPolarHBondContact O-CG2 3.35Å; P246-V250 PolarHBondContact O-N 2.84Å; V250-L253 PolarHBondContact O-N 2.99Å; V250-G254 PolarHBondContact O-N 3.48Å
251	L	88.5	Confident	83.1	Confident	117 Å²	117	99.5 Å²	99.5	61%	0.613	57%	0.565	S	S	*	*	H	α-helix	trans	-61.7	-44	174.6	-109.4	160.8	0	0	0	111.8	G247 I248 S249 G254 I255	G247-L251 PolarHBondContact O-N 3.08Å; I248-L251 PolarHBondContact O-N 3.28Å; S249-L251 VanDerWaalsContact C-N 3.35Å; L251-G254 PolarHBondContact O-N 3.48Å; L251-I255 WeakPolarHBondContact O-CG1 2.97Å; L251-I255 PolarHBondContact O-N 3.31Å; L251-I255 VanDerWaalsContact O-N 3.07Å
252	A	88.9	Confident	84	Confident	57 Å²	57	98.2 Å²	98.2	47%	0.471	56%	0.563	S	S	.	*	H	α-helix	trans	-63.3	-42.3	176.8	0	0	0	0	0	112.6	I248 S249 G254 I255 Y256	I248-A252 PolarHBondContact O-N 3.31Å; S249-A252 PolarHBondContact O-N 2.98Å; A252-G254 VanDerWaalsContact C-N 3.35Å; A252-G254 PolarHBondContact O-N 2.94Å; A252-I255 PolarHBondContact O-N 3.11Å; A252-Y256 WeakPolarHBondContact O-CB 3.47Å; A252-Y256 PolarHBondContact O-N 3.42Å
253	L	91.6	Very high	84.6	Confident	117 Å²	117	93.5 Å²	93.5	61%	0.613	55%	0.546	S	S	*	.	H	α-helix	trans	-62.9	-40.9	176.3	-160.3	90.7	0	0	0	111.7	S249 V250 Y256 M257	S249-L253 PolarHBondContact O-N 2.87Å; V250-L253 PolarHBondContact O-N 2.99Å; L253-Y256 PolarHBondContact O-N 2.88Å; L253-M257 PolarHBondContact O-N 2.72Å
254	G	90.1	Very high	85	Confident	43 Å²	43	91.6 Å²	91.6	44%	0.443	54%	0.539	S	S	.	.	H	α-helix	trans	-61.8	-44.3	176.3	0	0	0	0	0	112.9	V250 L251 A252 A258	V250-G254 PolarHBondContact O-N 3.48Å; L251-G254 PolarHBondContact O-N 3.48Å; A252-G254 VanDerWaalsContact C-N 3.35Å; A252-G254 PolarHBondContact O-N 2.94Å; G254-A258 WeakPolarHBondContact O-CB 2.89Å; G254-A258 PolarHBondContact O-N 3.39Å; G254-A258 VanDerWaalsContact O-N 3.08Å
255	I	89.4	Confident	85.1	Confident	114 Å²	114	89.8 Å²	89.8	59%	0.585	53%	0.534	S	S	*	.	H	α-helix	trans	-65.3	-41.2	176.7	-65.3	166.5	0	0	0	111	L251 A252 A258 K259	L251-I255 WeakPolarHBondContact O-CG1 2.97Å; L251-I255 PolarHBondContact O-N 3.31Å; L251-I255 VanDerWaalsContact O-N 3.07Å; A252-I255 PolarHBondContact O-N 3.11Å; I255-A258 PolarHBondContact O-N 3.47Å; I255-K259 PolarHBondContact O-N 3.5Å; I255-K259 VanDerWaalsContact O-N 3.11Å
256	Y	88.1	Confident	84.9	Confident	150 Å²	150	87.8 Å²	87.8	59%	0.588	53%	0.528	S	S	*	.	H	α-helix	trans	-64.5	-45.8	179	-170.5	-94.1	0	0	0	112.4	A252 L253 K259 H260	A252-Y256 WeakPolarHBondContact O-CB 3.47Å; A252-Y256 PolarHBondContact O-N 3.42Å; L253-Y256 PolarHBondContact O-N 2.88Å; Y256-K259 PolarHBondContact O-N 2.82Å; Y256-H260 AromaticContact CD1-CD2 3.97Å; Y256-H260 AromaticContact CE1-CD2 3.53Å; Y256-H260 AromaticContact CE1-NE2 3.84Å; Y256-H260 AromaticContact CE2-NE2 3.77Å; Y256-H260 AromaticContact CZ-CD2 3.57Å; Y256-H260 AromaticContact CZ-NE2 3.37Å; Y256-H260 PolarHBondContact O-N 3.43Å; Y256-H260 PolarHBondContact OH-NE2 3.04Å
257	M	90.3	Very high	84.4	Confident	125 Å²	125	93.4 Å²	93.4	62%	0.616	54%	0.539	S	S	*	.	H	α-helix	trans	-62.8	-42.3	176.5	-77.8	-68	-179.2	0	0	112.2	L253 K259 H260 A261	L253-M257 PolarHBondContact O-N 2.72Å; M257-K259 VanDerWaalsContact C-N 3.32Å; M257-K259 PolarHBondContact O-N 3.23Å; M257-H260 PolarHBondContact O-N 3.26Å; M257-A261 VanDerWaalsContact O-CB 3.24Å; M257-A261 WeakPolarHBondContact O-CB 3.4Å; M257-A261 PolarHBondContact O-N 3.46Å
258	A	88.7	Confident	83.8	Confident	55 Å²	55	97.7 Å²	97.7	46%	0.455	54%	0.542	S	S	.	.	H	α-helix	trans	-62	-38.4	177.2	0	0	0	0	0	112.5	G254 I255 T262	G254-A258 WeakPolarHBondContact O-CB 2.89Å; G254-A258 PolarHBondContact O-N 3.39Å; G254-A258 VanDerWaalsContact O-N 3.08Å; I255-A258 PolarHBondContact O-N 3.47Å; A258-T262 WeakPolarHBondContact O-CG2 3.43Å; A258-T262 PolarHBondContact O-N 3.35Å; A258-T262 VanDerWaalsContact O-N 3.13Å; A258-T262 PolarHBondContact O-OG1 3.31Å
259	K	83.9	Confident	83	Confident	158 Å²	158	97 Å²	97	69%	0.687	54%	0.539	S	S	*	.	H	α-helix	trans	-69.2	-36.4	179.7	-164.8	176.3	179.7	178.8	0	112.8	I255 Y256 M257 T262	I255-K259 PolarHBondContact O-N 3.5Å; I255-K259 VanDerWaalsContact O-N 3.11Å; Y256-K259 PolarHBondContact O-N 2.82Å; M257-K259 VanDerWaalsContact C-N 3.32Å; M257-K259 PolarHBondContact O-N 3.23Å; K259-T262 PolarHBondContact O-OG1 3.14Å
260	H	81.5	Confident	82.2	Confident	94 Å²	94	100.2 Å²	100.2	44%	0.435	55%	0.546	S	S	.	.	H	α-helix	trans	-79.9	-39.5	176.5	-81.2	-73.5	0	0	0	112.7	Y256 M257 T262 S263 V264	Y256-H260 AromaticContact CD1-CD2 3.97Å; Y256-H260 AromaticContact CE1-CD2 3.53Å; Y256-H260 AromaticContact CE1-NE2 3.84Å; Y256-H260 AromaticContact CE2-NE2 3.77Å; Y256-H260 AromaticContact CZ-CD2 3.57Å; Y256-H260 AromaticContact CZ-NE2 3.37Å; Y256-H260 PolarHBondContact O-N 3.43Å; Y256-H260 PolarHBondContact OH-NE2 3.04Å; M257-H260 PolarHBondContact O-N 3.26Å; H260-T262 VanDerWaalsContact C-N 3.29Å; H260-T262 PolarHBondContact O-N 3.3Å; H260-S263 PolarHBondContact O-N 3.07Å; H260-S263 PolarHBondContact O-OG 2.84Å; H260-V264 PolarHBondContact O-N 2.9Å
261	A	84	Confident	80.9	Confident	65 Å²	65	98.3 Å²	98.3	54%	0.537	54%	0.541	S	S	.	.	H	α-helix	trans	-60.1	-38	176.8	0	0	0	0	0	112.6	M257 G265	M257-A261 VanDerWaalsContact O-CB 3.24Å; M257-A261 WeakPolarHBondContact O-CB 3.4Å; M257-A261 PolarHBondContact O-N 3.46Å; A261-G265 PolarHBondContact O-N 2.77Å
262	T	81.9	Confident	79.6	Confident	94 Å²	94	101 Å²	101	58%	0.577	54%	0.543	S	S	*	.	H	α-helix	trans	-65.2	-38.2	176.9	42.9	0	0	0	0	112.6	A258 K259 H260 G265 A266	A258-T262 WeakPolarHBondContact O-CG2 3.43Å; A258-T262 PolarHBondContact O-N 3.35Å; A258-T262 VanDerWaalsContact O-N 3.13Å; A258-T262 PolarHBondContact O-OG1 3.31Å; K259-T262 PolarHBondContact O-OG1 3.14Å; H260-T262 VanDerWaalsContact C-N 3.29Å; H260-T262 PolarHBondContact O-N 3.3Å; T262-G265 PolarHBondContact O-N 3.19Å; T262-A266 VanDerWaalsContact O-CB 3.28Å; T262-A266 WeakPolarHBondContact O-CB 3.43Å; T262-A266 PolarHBondContact O-N 2.86Å
263	S	79.2	Confident	78.2	Confident	59 Å²	59	104.7 Å²	104.7	41%	0.413	55%	0.554	S	S	.	*	H	α-helix	trans	-68.1	-40	178.4	72.4	0	0	0	0	113.3	H260 A266 R267	H260-S263 PolarHBondContact O-N 3.07Å; H260-S263 PolarHBondContact O-OG 2.84Å; S263-A266 PolarHBondContact O-N 3.49Å; S263-R267 PolarHBondContact O-N 3.29Å; S263-R267 VanDerWaalsContact O-N 3.11Å
264	V	78.2	Confident	76.3	Confident	101 Å²	101	102.1 Å²	102.1	61%	0.612	56%	0.557	S	S	*	*	H	α-helix	trans	-69.5	-42.1	175.5	178.3	0	0	0	0	110.1	H260 A266 R267 Y268	H260-V264 PolarHBondContact O-N 2.9Å; V264-A266 PolarHBondContact O-N 2.89Å; V264-R267 PolarHBondContact O-N 3.39Å; V264-Y268 WeakPolarHBondContact O-CB 3.3Å; V264-Y268 PolarHBondContact O-N 2.77Å
265	G	76.6	Confident	74.4	Confident	35 Å²	35	107.3 Å²	107.3	36%	0.361	57%	0.567	S	S	.	*	H	α-helix	trans	-59.4	-43.2	173.6	0	0	0	0	0	112.7	A261 T262 Y268 L269	A261-G265 PolarHBondContact O-N 2.77Å; T262-G265 PolarHBondContact O-N 3.19Å; G265-Y268 PolarHBondContact O-N 3.42Å; G265-L269 WeakPolarHBondContact O-CB 3.43Å; G265-L269 PolarHBondContact O-N 3.01Å
266	A	74.9	Confident	72.3	Confident	48 Å²	48	106.5 Å²	106.5	40%	0.397	57%	0.569	S	S	.	*	H	α-helix	trans	-64.4	-48	178.2	0	0	0	0	0	112.1	T262 S263 V264 Y268 L269 E270	T262-A266 VanDerWaalsContact O-CB 3.28Å; T262-A266 WeakPolarHBondContact O-CB 3.43Å; T262-A266 PolarHBondContact O-N 2.86Å; S263-A266 PolarHBondContact O-N 3.49Å; V264-A266 PolarHBondContact O-N 2.89Å; A266-Y268 VanDerWaalsContact C-N 3.32Å; A266-Y268 PolarHBondContact O-N 3.23Å; A266-L269 CarbonylContact O-C 3.59Å; A266-L269 WeakPolarHBondContact O-CB 3.39Å; A266-L269 PolarHBondContact O-N 2.89Å; A266-L269 VanDerWaalsContact O-N 3.13Å; A266-E270 WeakPolarHBondContact O-CB 3.29Å; A266-E270 WeakPolarHBondContact O-CG 3.41Å; A266-E270 PolarHBondContact O-N 3.48Å
267	R	71.9	Confident	70.5	Confident	195 Å²	195	105.1 Å²	105.1	74%	0.736	58%	0.576	S	S	*	*	H	α-helix	trans	-62.4	-38.3	176.1	-76.3	-172.8	176.2	-179.9	0.4	112.6	S263 V264 E270 A271	S263-R267 PolarHBondContact O-N 3.29Å; S263-R267 VanDerWaalsContact O-N 3.11Å; V264-R267 PolarHBondContact O-N 3.39Å; R267-E270 PolarHBondContact O-N 3.19Å; R267-A271 WeakPolarHBondContact O-CB 3.5Å; R267-A271 PolarHBondContact O-N 3.45Å
268	Y	71.1	Confident	68.7	Low	136 Å²	136	100.6 Å²	100.6	53%	0.533	56%	0.555	S	S	.	*	H	α-helix	trans	-66.2	-38.1	174.4	-176.3	-102	0	0	0	111.9	V264 G265 A266 R272	V264-Y268 WeakPolarHBondContact O-CB 3.3Å; V264-Y268 PolarHBondContact O-N 2.77Å; G265-Y268 PolarHBondContact O-N 3.42Å; A266-Y268 VanDerWaalsContact C-N 3.32Å; A266-Y268 PolarHBondContact O-N 3.23Å; Y268-R272 WeakPolarHBondContact O-CB 2.91Å; Y268-R272 PolarHBondContact O-N 2.94Å
269	L	69.7	Low	66.9	Low	101 Å²	101	99.8 Å²	99.8	53%	0.529	54%	0.542	S	S	.	.	H	α-helix	trans	-66.7	-45.4	174.1	-135.8	88.2	0	0	0	111.5	G265 A266 A271 R272 L273	G265-L269 WeakPolarHBondContact O-CB 3.43Å; G265-L269 PolarHBondContact O-N 3.01Å; A266-L269 CarbonylContact O-C 3.59Å; A266-L269 WeakPolarHBondContact O-CB 3.39Å; A266-L269 PolarHBondContact O-N 2.89Å; A266-L269 VanDerWaalsContact O-N 3.13Å; L269-A271 PolarHBondContact O-N 3.45Å; L269-R272 CarbonylContact O-C 3.57Å; L269-R272 PolarHBondContact O-N 3.4Å; L269-R272 VanDerWaalsContact O-N 3.11Å; L269-L273 HydrophobicContact CB-CD1 4.36Å; L269-L273 HydrophobicContact CD2-CD1 3.57Å; L269-L273 HydrophobicContact CG-CD1 3.78Å; L269-L273 HydrophobicContact CG-CG 4.5Å; L269-L273 WeakPolarHBondContact O-CB 3.07Å; L269-L273 VanDerWaalsContact O-CG 3.3Å; L269-L273 WeakPolarHBondContact O-CG 3.33Å; L269-L273 PolarHBondContact O-N 2.95Å
270	E	67.6	Low	65.5	Low	135 Å²	135	98 Å²	98	63%	0.631	53%	0.531	S	S	*	.	H	α-helix	trans	-58.9	-45.8	177.5	-79.2	176.8	177.2	0	0	111.6	A266 R267 R272 L273 G274	A266-E270 WeakPolarHBondContact O-CB 3.29Å; A266-E270 WeakPolarHBondContact O-CG 3.41Å; A266-E270 PolarHBondContact O-N 3.48Å; R267-E270 PolarHBondContact O-N 3.19Å; E270-R272 PolarHBondContact O-N 2.85Å; E270-L273 PolarHBondContact O-N 3.04Å; E270-G274 PolarHBondContact O-N 2.7Å
271	A	63.1	Low	64.4	Low	65 Å²	65	97.4 Å²	97.4	54%	0.537	53%	0.528	S	S	.	.	H	α-helix	trans	-61.7	-31.3	176.7	0	0	0	0	0	112.6	R267 L269	R267-A271 WeakPolarHBondContact O-CB 3.5Å; R267-A271 PolarHBondContact O-N 3.45Å; L269-A271 PolarHBondContact O-N 3.45Å
272	R	60.7	Low	62.9	Low	173 Å²	173	97.1 Å²	97.1	65%	0.653	52%	0.52	S	S	*	.	H	α-helix	trans	-86.2	-29	-179.9	-166.5	173.8	-178.4	157.8	4	113.6	Y268 L269 E270	Y268-R272 WeakPolarHBondContact O-CB 2.91Å; Y268-R272 PolarHBondContact O-N 2.94Å; L269-R272 CarbonylContact O-C 3.57Å; L269-R272 PolarHBondContact O-N 3.4Å; L269-R272 VanDerWaalsContact O-N 3.11Å; E270-R272 PolarHBondContact O-N 2.85Å
273	L	58.9	Low	61.6	Low	135 Å²	135	94.9 Å²	94.9	71%	0.707	51%	0.508	S	S	*	.	H	α-helix	trans	-90.6	-30.6	-178.1	-71.4	167.6	0	0	0	112.9	L269 E270	L269-L273 HydrophobicContact CB-CD1 4.36Å; L269-L273 HydrophobicContact CD2-CD1 3.57Å; L269-L273 HydrophobicContact CG-CD1 3.78Å; L269-L273 HydrophobicContact CG-CG 4.5Å; L269-L273 WeakPolarHBondContact O-CB 3.07Å; L269-L273 VanDerWaalsContact O-CG 3.3Å; L269-L273 WeakPolarHBondContact O-CG 3.33Å; L269-L273 PolarHBondContact O-N 2.95Å; E270-L273 PolarHBondContact O-N 3.04Å
274	G	52.5	Low	60.2	Low	64 Å²	64	96.5 Å²	96.5	66%	0.66	51%	0.505	S	S	*	.	S	Bend	trans	-92.1	-10.8	-170.4	0	0	0	0	0	116.6	E270	E270-G274 PolarHBondContact O-N 2.7Å
275	K	49.6	Very low	59	Low	152 Å²	152	96.4 Å²	96.4	66%	0.661	50%	0.501	S	S	*	.	S	Bend	trans	-112.6	124	178.1	-70.2	179.2	-178.6	175.9	0	109.5	T277	K275-T277 PolarHBondContact O-N 3.5Å; K275-T277 VanDerWaalsContact O-N 3.16Å
276	P	45.8	Very low	57.9	Low	97 Å²	97	98.1 Å²	98.1	63%	0.63	50%	0.504	S	S	*	.			trans	-58.2	126.3	170	24.8	-31.9	0	0	0	108	L278	P276-L278 VanDerWaalsContact C-N 3.3Å; P276-L278 HydrophobicContact CG-CD1 4.39Å; P276-L278 PolarHBondContact O-N 2.91Å
277	T	50	Low	56.7	Low	120 Å²	120	101.1 Å²	101.1	74%	0.736	52%	0.519	S	S	*	.			trans	-65.4	91.9	175.3	52.9	0	0	0	0	108.4	K275 I279	K275-T277 PolarHBondContact O-N 3.5Å; K275-T277 VanDerWaalsContact O-N 3.16Å; T277-I279 VanDerWaalsContact C-N 3.26Å
278	L	52.1	Low	56.1	Low	31 Å²	31	96 Å²	96	16%	0.162	51%	0.506	C	S	.	.			trans	-78.2	-16.7	-179.5	-74.7	150.4	0	0	0	112.2	P276 K370 K380	P276-L278 VanDerWaalsContact C-N 3.3Å; P276-L278 HydrophobicContact CG-CD1 4.39Å; P276-L278 PolarHBondContact O-N 2.91Å; L278-K370 WeakPolarHBondContact CD2-O 3.25Å; L278-K380 HydrophobicContact CB-CD 4.47Å; L278-K380 HydrophobicContact CD1-CD 3.31Å
279	I	52.1	Low	55.5	Low	38 Å²	38	94.5 Å²	94.5	20%	0.195	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	116.3	174	-57.3	169.2	0	0	0	106.6	T277 T282 T366 T384	T277-I279 VanDerWaalsContact C-N 3.26Å; I279-T282 HydrophobicContact CG2-CG2 3.41Å; I279-T282 VanDerWaalsContact CG2-CG2 3.41Å; I279-T366 HydrophobicContact CD1-CG2 4.3Å; I279-T366 HydrophobicContact CG1-CG2 4.36Å; I279-T366 HydrophobicContact CG2-CG2 3.78Å; I279-T384 HydrophobicContact CD1-CG2 3.86Å; I279-T384 WeakPolarHBondContact CD1-OG1 3.44Å
280	R	54.8	Low	54.9	Low	121 Å²	121	92.6 Å²	92.6	46%	0.457	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-38.8	-177	-74.1	-178.5	173	167	-8.8	111.7
281	E	57.5	Low	54.6	Low	80 Å²	80	93.2 Å²	93.2	37%	0.374	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	131.3	-175.6	-65.5	173.3	-150.5	0	0	109.5	K353 W365 I367	E281-K353 IonicContact OE1-NZ 3.46Å; E281-K353 PolarHBondContact OE1-NZ 3.14Å; E281-K353 IonicContact OE2-NZ 2.89Å; E281-W365 HydrophobicContact CB-CH2 3.7Å; E281-W365 HydrophobicContact CB-CZ3 3.69Å; E281-W365 WeakPolarHBondContact O-CZ3 3.09Å; E281-I367 PolarHBondContact O-N 2.77Å
282	T	53.6	Low	54.5	Low	60 Å²	60	96.9 Å²	96.9	37%	0.368	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	149.3	171	50.7	0	0	0	0	109.7	I279 R284 T366	I279-T282 HydrophobicContact CG2-CG2 3.41Å; I279-T282 VanDerWaalsContact CG2-CG2 3.41Å; T282-R284 PolarHBondContact O-N 2.89Å; T282-T366 HydrophobicContact CG2-CG2 4.37Å
283	S	53.2	Low	54.3	Low	46 Å²	46	93.7 Å²	93.7	32%	0.322	50%	0.5	S	S	.	.	S	Bend	trans	-70.2	-8.8	173.9	59.4	0	0	0	0	114.6	I285 E364 W365	S283-I285 PolarHBondContact O-N 3.37Å; S283-E364 WeakPolarHBondContact OG-CA 3.49Å; S283-W365 PolarHBondContact N-O 2.81Å; S283-W365 PolarHBondContact OG-N 2.72Å
284	R	49.9	Very low	53.8	Low	93 Å²	93	91.8 Å²	91.8	35%	0.351	50%	0.495	S	S	.	.			trans	-79.2	114.7	-177.6	-68.6	-172.5	178.4	-170.9	-1.8	111.1	T282 T286 E364	T282-R284 PolarHBondContact O-N 2.89Å; R284-T286 PolarHBondContact O-N 3.11Å; R284-E364 IonicContact CZ-OE2 3.63Å; R284-E364 IonicContact NE-OE1 2.64Å; R284-E364 IonicContact NE-OE2 3.63Å; R284-E364 PolarHBondContact NE-OE2 3.04Å; R284-E364 IonicContact NH2-OE1 3.47Å; R284-E364 IonicContact NH2-OE2 3.8Å; R284-E364 PolarHBondContact NH2-OE2 3.05Å
285	I	53.4	Low	53.6	Low	100 Å²	100	95.6 Å²	95.6	51%	0.513	50%	0.499	S	S	.	.			trans	-75.2	113.8	167.5	-52	169.7	0	0	0	106.3	S283 E289 T290	S283-I285 PolarHBondContact O-N 3.37Å; I285-E289 HydrophobicContact CG2-CB 4.14Å; I285-T290 WeakPolarHBondContact CG2-OG1 3.37Å
286	T	52.8	Low	53.7	Low	71 Å²	71	95.7 Å²	95.7	44%	0.436	50%	0.499	S	S	.	.			trans	-67.9	145.5	173	40.8	0	0	0	0	109.5	R284 L288 E289 T290	R284-T286 PolarHBondContact O-N 3.11Å; T286-L288 PolarHBondContact O-N 3.3Å; T286-E289 PolarHBondContact N-OE2 3.49Å; T286-E289 WeakPolarHBondContact O-CA 3.49Å; T286-E289 WeakPolarHBondContact O-CB 3.29Å; T286-E289 PolarHBondContact O-N 3.46Å; T286-E289 WeakPolarHBondContact OG1-CG 3.42Å; T286-E289 PolarHBondContact OG1-OE2 2.95Å; T286-T290 PolarHBondContact O-N 3.49Å; T286-T290 VanDerWaalsContact O-N 3.1Å; T286-T290 PolarHBondContact O-OG1 3.07Å
287	P	51.2	Low	53.8	Low	110 Å²	110	95.1 Å²	95.1	71%	0.714	49%	0.494	S	S	*	.	H	α-helix	trans	-52.4	-32	179.4	-24.6	31.4	0	0	0	112.8	T290 L291	P287-T290 PolarHBondContact O-N 3.29Å; P287-L291 PolarHBondContact O-N 3.35Å; P287-L291 VanDerWaalsContact O-N 3.12Å
288	L	57.7	Low	53.4	Low	88 Å²	88	94.4 Å²	94.4	46%	0.461	49%	0.494	S	S	.	.	H	α-helix	trans	-69.4	-32.4	176.3	-160.3	76.2	0	0	0	113.5	T286 K292	T286-L288 PolarHBondContact O-N 3.3Å; L288-K292 WeakPolarHBondContact O-CG 3.33Å; L288-K292 PolarHBondContact O-N 3.4Å
289	E	59.2	Low	52.9	Low	105 Å²	105	98 Å²	98	49%	0.491	52%	0.517	S	S	.	.	H	α-helix	trans	-75.8	-36.7	173.6	-80	177.4	154.2	0	0	112	I285 T286 L291 K292 H293	I285-E289 HydrophobicContact CG2-CB 4.14Å; T286-E289 PolarHBondContact N-OE2 3.49Å; T286-E289 WeakPolarHBondContact O-CA 3.49Å; T286-E289 WeakPolarHBondContact O-CB 3.29Å; T286-E289 PolarHBondContact O-N 3.46Å; T286-E289 WeakPolarHBondContact OG1-CG 3.42Å; T286-E289 PolarHBondContact OG1-OE2 2.95Å; E289-L291 PolarHBondContact O-N 3.31Å; E289-K292 PolarHBondContact O-N 3.03Å; E289-K292 VanDerWaalsContact O-N 3.15Å; E289-H293 PolarHBondContact O-N 2.74Å
290	T	57.4	Low	52.2	Low	60 Å²	60	101.3 Å²	101.3	37%	0.368	54%	0.541	S	S	.	.	H	α-helix	trans	-59.6	-38.5	172.4	-33.2	0	0	0	0	111	I285 T286 P287 V297	I285-T290 WeakPolarHBondContact CG2-OG1 3.37Å; T286-T290 PolarHBondContact O-N 3.49Å; T286-T290 VanDerWaalsContact O-N 3.1Å; T286-T290 PolarHBondContact O-OG1 3.07Å; P287-T290 PolarHBondContact O-N 3.29Å; T290-V297 HydrophobicContact CG2-CG2 4.2Å
291	L	60.6	Low	51.6	Low	148 Å²	148	100.6 Å²	100.6	78%	0.775	56%	0.555	S	S	*	*	H	α-helix	trans	-70.7	-33.9	176	-148.8	90.8	0	0	0	112.9	P287 E289	P287-L291 PolarHBondContact O-N 3.35Å; P287-L291 VanDerWaalsContact O-N 3.12Å; E289-L291 PolarHBondContact O-N 3.31Å
292	K	61	Low	51	Low	142 Å²	142	101.9 Å²	101.9	62%	0.617	57%	0.571	S	S	*	*	H	α-helix	trans	-81.6	-26.9	-178.4	-76.5	178.9	179.6	-174.3	0	113.9	L288 E289	L288-K292 WeakPolarHBondContact O-CG 3.33Å; L288-K292 PolarHBondContact O-N 3.4Å; E289-K292 PolarHBondContact O-N 3.03Å; E289-K292 VanDerWaalsContact O-N 3.15Å
293	H	56.4	Low	51.1	Low	107 Å²	107	105.2 Å²	105.2	50%	0.495	59%	0.587	S	S	.	*			trans	-136.7	71.5	-178.4	-63.8	-51.4	0	0	0	112.1	E289 I295 K296	E289-H293 PolarHBondContact O-N 2.74Å; H293-I295 PolarHBondContact O-N 3.45Å; H293-I295 VanDerWaalsContact O-N 3.17Å; H293-K296 HydrophobicContact CB-CB 4.17Å; H293-K296 HydrophobicContact CB-CD 4.32Å; H293-K296 PolarHBondContact O-N 2.94Å
294	P	48.8	Very low	51.1	Low	94 Å²	94	105.2 Å²	105.2	61%	0.61	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-61.8	-28	-178.8	23.6	-32.6	0	0	0	112.7
295	I	48.9	Very low	51.6	Low	145 Å²	145	102.1 Å²	102.1	74%	0.744	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-79.2	-22.3	-175.6	-56.3	171.1	0	0	0	112.4	H293 V297	H293-I295 PolarHBondContact O-N 3.45Å; H293-I295 VanDerWaalsContact O-N 3.17Å; I295-V297 VanDerWaalsContact C-N 3.27Å; I295-V297 PolarHBondContact O-N 3.36Å
296	K	51.7	Low	52.1	Low	153 Å²	153	101.1 Å²	101.1	67%	0.665	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-75.2	-13.3	-179	-98.4	-178.6	177	175.6	0	114.1	H293 S298	H293-K296 HydrophobicContact CB-CB 4.17Å; H293-K296 HydrophobicContact CB-CD 4.32Å; H293-K296 PolarHBondContact O-N 2.94Å; K296-S298 VanDerWaalsContact C-N 3.29Å
297	V	48.1	Very low	52.8	Low	86 Å²	86	100 Å²	100	52%	0.521	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-80.9	-12.9	-176.7	-166.7	0	0	0	0	111.9	T290 I295	T290-V297 HydrophobicContact CG2-CG2 4.2Å; I295-V297 VanDerWaalsContact C-N 3.27Å; I295-V297 PolarHBondContact O-N 3.36Å
298	S	40.4	Very low	54.2	Low	105 Å²	105	96.1 Å²	96.1	73%	0.734	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-124.9	30.7	-171.9	-173.6	0	0	0	0	114	K296	K296-S298 VanDerWaalsContact C-N 3.29Å
299	T	41.4	Very low	55.5	Low	107 Å²	107	93 Å²	93	66%	0.656	54%	0.544	S	S	*	.			trans	-83.5	128.1	172.4	54.2	0	0	0	0	110.7
300	P	39.1	Very low	56.7	Low	107 Å²	107	88.8 Å²	88.8	70%	0.695	52%	0.524	S	S	*	.			trans	-65.1	157.3	180	29.1	-33.2	0	0	0	110.5	C302	P300-C302 PolarHBondContact O-N 3.48Å
301	S	41.4	Very low	58.2	Low	105 Å²	105	89 Å²	89	73%	0.734	52%	0.521	S	S	*	.			trans	-47.9	87.4	179.1	51	0	0	0	0	113.1
302	C	43.9	Very low	59.5	Low	107 Å²	107	85.7 Å²	85.7	72%	0.723	51%	0.509	S	S	*	.			trans	-68.5	136	161.9	-80.2	0	0	0	0	108.3	P300 P304	P300-C302 PolarHBondContact O-N 3.48Å; C302-P304 VanDerWaalsContact O-CD 3.25Å; C302-P304 WeakPolarHBondContact O-CD 3.35Å
303	D	56.6	Low	60.8	Low	130 Å²	130	82 Å²	82	70%	0.695	51%	0.505	S	S	*	.			trans	-47.3	115.1	172.4	-83.7	-30	0	0	0	108.8	L305 A306	D303-L305 PolarHBondContact O-N 3.26Å; D303-A306 HydrophobicContact CB-CB 4.21Å; D303-A306 WeakPolarHBondContact O-CB 3.45Å; D303-A306 PolarHBondContact O-N 2.89Å
304	P	53.9	Low	62.3	Low	47 Å²	47	77.9 Å²	77.9	31%	0.305	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-12.4	-171.1	-18.3	30.7	0	0	0	112.4	C302 A354 A357 V358	C302-P304 VanDerWaalsContact O-CD 3.25Å; C302-P304 WeakPolarHBondContact O-CD 3.35Å; P304-A354 WeakPolarHBondContact O-CB 3.34Å; P304-A357 HydrophobicContact CB-CB 4.43Å; P304-V358 HydrophobicContact CB-CB 3.91Å; P304-V358 HydrophobicContact CB-CG2 3.22Å; P304-V358 VanDerWaalsContact CG-CA 3.44Å; P304-V358 HydrophobicContact CG-CB 3.71Å; P304-V358 HydrophobicContact CG-CG1 4.14Å; P304-V358 HydrophobicContact CG-CG2 3.41Å; P304-V358 VanDerWaalsContact CG-CG2 3.41Å
305	L	60.5	Low	64	Low	28 Å²	28	75.2 Å²	75.2	15%	0.147	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	0.8	172.2	-61.3	179	0	0	0	112.9	D303 G307 V308 E315 R319 F351 A354	D303-L305 PolarHBondContact O-N 3.26Å; L305-G307 PolarHBondContact O-N 3.19Å; L305-V308 PolarHBondContact O-N 3Å; L305-E315 HydrophobicContact CD1-CG 4.08Å; L305-R319 HydrophobicContact CD1-CG 4.44Å; L305-F351 HydrophobicContact CD2-CD2 4.1Å; L305-F351 HydrophobicContact CD2-CE2 3.29Å; L305-F351 HydrophobicContact CD2-CZ 3.81Å; L305-A354 HydrophobicContact CD2-CB 4.45Å
306	A	62.1	Low	65.8	Low	79 Å²	79	71.3 Å²	71.3	65%	0.653	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	110.8	177.2	0	0	0	0	0	110.1	D303	D303-A306 HydrophobicContact CB-CB 4.21Å; D303-A306 WeakPolarHBondContact O-CB 3.45Å; D303-A306 PolarHBondContact O-N 2.89Å
307	G	69.3	Low	67.5	Low	46 Å²	46	68.9 Å²	68.9	47%	0.474	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.7	-1.3	-178.4	0	0	0	0	0	115.4	L305	L305-G307 PolarHBondContact O-N 3.19Å
308	V	79.7	Confident	69.1	Low	29 Å²	29	65 Å²	65	18%	0.176	41%	0.414	C	S	.	.			trans	-100.4	122.2	170.4	-170.1	0	0	0	0	109.2	L305 L310 M350 F351 A354	L305-V308 PolarHBondContact O-N 3Å; V308-L310 HydrophobicContact CG1-CD1 4.49Å; V308-L310 HydrophobicContact CG1-CD2 4.45Å; V308-L310 HydrophobicContact CG1-CG 4.08Å; V308-M350 HydrophobicContact CG2-CE 4.07Å; V308-M350 HydrophobicContact CG2-CG 4.47Å; V308-F351 HydrophobicContact CG1-CD2 4.16Å; V308-A354 HydrophobicContact CG2-CB 4.31Å
309	V	86.1	Confident	71.1	Confident	24 Å²	24	66.6 Å²	66.6	15%	0.145	40%	0.404	C	S	.	.			trans	-100	122.1	175.1	-176.5	0	0	0	0	108.4	E466 R469 M470 I473	V309-E466 HydrophobicContact CG1-CB 3.89Å; V309-E466 HydrophobicContact CG1-CG 4Å; V309-R469 HydrophobicContact CG1-CB 4.03Å; V309-R469 HydrophobicContact CG2-CB 4.11Å; V309-M470 HydrophobicContact CB-CG 3.64Å; V309-M470 HydrophobicContact CB-SD 4.45Å; V309-M470 HydrophobicContact CG1-CG 3.92Å; V309-M470 HydrophobicContact CG2-CG 3.83Å; V309-I473 HydrophobicContact CG2-CD1 3.43Å; V309-I473 VanDerWaalsContact CG2-CD1 3.43Å
310	L	83.9	Confident	73.2	Confident	15 Å²	15	65.5 Å²	65.5	8%	0.079	39%	0.394	C	S	.	.			trans	-131.9	166.6	173.8	-66.3	176.6	0	0	0	110.4	V308 L314 L318 F351 F459 R469	V308-L310 HydrophobicContact CG1-CD1 4.49Å; V308-L310 HydrophobicContact CG1-CD2 4.45Å; V308-L310 HydrophobicContact CG1-CG 4.08Å; L310-L314 HydrophobicContact CD1-CD2 4.28Å; L310-L314 HydrophobicContact CD1-CG 4.29Å; L310-L314 HydrophobicContact CD2-CD2 3.97Å; L310-L314 HydrophobicContact CG-CD2 4.5Å; L310-L318 HydrophobicContact CD1-CD1 3.76Å; L310-F351 HydrophobicContact CD1-CD2 3.4Å; L310-F351 HydrophobicContact CD1-CE2 3.39Å; L310-F351 HydrophobicContact CD1-CG 4.37Å; L310-F351 HydrophobicContact CD1-CZ 4.42Å; L310-F351 HydrophobicContact CG-CD2 4.42Å; L310-F459 HydrophobicContact CD2-CD1 4.19Å; L310-F459 HydrophobicContact CD2-CE1 4.06Å; L310-R469 PolarHBondContact O-NH2 3.42Å
311	H	87.6	Confident	75.4	Confident	64 Å²	64	60.8 Å²	60.8	30%	0.296	36%	0.363	S	S	.	.			trans	-61.6	134.9	166.3	-169.6	-89	0	0	0	110.5	A313 L314 E315 I460 E466	H311-A313 VanDerWaalsContact C-N 3.26Å; H311-A313 WeakPolarHBondContact ND1-CB 3.37Å; H311-A313 PolarHBondContact ND1-N 3.28Å; H311-A313 PolarHBondContact O-N 3.47Å; H311-A313 VanDerWaalsContact O-N 3.15Å; H311-L314 HydrophobicContact CB-CB 4.34Å; H311-L314 WeakPolarHBondContact O-CB 3.2Å; H311-L314 PolarHBondContact O-N 3.48Å; H311-E315 PolarHBondContact O-N 3.03Å; H311-I460 HydrophobicContact CB-CD1 4.36Å; H311-E466 WeakPolarHBondContact CA-OE1 3.24Å; H311-E466 VanDerWaalsContact CB-OE1 3.28Å; H311-E466 WeakPolarHBondContact CB-OE1 3.45Å; H311-E466 IonicContact CD2-OE1 3.63Å; H311-E466 PolarHBondContact CD2-OE1 3.48Å; H311-E466 IonicContact CG-OE1 3.74Å; H311-E466 PolarHBondContact N-OE1 3.28Å; H311-E466 PolarHBondContact N-OE2 3Å
312	P	87.8	Confident	77.2	Confident	80 Å²	80	56.5 Å²	56.5	52%	0.519	33%	0.334	S	S	.	.	H	α-helix	trans	-53.9	-38.9	-175.6	-28.1	34.7	0	0	0	114.2	L314 E315 S316	P312-L314 PolarHBondContact O-N 3.05Å; P312-E315 PolarHBondContact O-N 3.41Å; P312-S316 PolarHBondContact O-N 2.96Å
313	A	88.8	Confident	79	Confident	65 Å²	65	55.7 Å²	55.7	54%	0.537	32%	0.322	S	S	.	.	H	α-helix	trans	-64.3	-39.3	177.5	0	0	0	0	0	112.7	H311 R317	H311-A313 VanDerWaalsContact C-N 3.26Å; H311-A313 WeakPolarHBondContact ND1-CB 3.37Å; H311-A313 PolarHBondContact ND1-N 3.28Å; H311-A313 PolarHBondContact O-N 3.47Å; H311-A313 VanDerWaalsContact O-N 3.15Å; A313-R317 WeakPolarHBondContact O-CB 2.95Å; A313-R317 PolarHBondContact O-N 3.35Å
314	L	87.9	Confident	80.3	Confident	19 Å²	19	52.3 Å²	52.3	10%	0.099	31%	0.306	C	S	.	.	H	α-helix	trans	-70.7	-40.9	178	178.7	60.5	0	0	0	110.5	L310 H311 P312 R317 L318 V457 F459	L310-L314 HydrophobicContact CD1-CD2 4.28Å; L310-L314 HydrophobicContact CD1-CG 4.29Å; L310-L314 HydrophobicContact CD2-CD2 3.97Å; L310-L314 HydrophobicContact CG-CD2 4.5Å; H311-L314 HydrophobicContact CB-CB 4.34Å; H311-L314 WeakPolarHBondContact O-CB 3.2Å; H311-L314 PolarHBondContact O-N 3.48Å; P312-L314 PolarHBondContact O-N 3.05Å; L314-R317 PolarHBondContact O-N 3.44Å; L314-L318 HydrophobicContact CD1-CD1 3.77Å; L314-L318 HydrophobicContact CD1-CG 4.23Å; L314-L318 HydrophobicContact CG-CD1 3.72Å; L314-L318 WeakPolarHBondContact O-CB 3.4Å; L314-L318 WeakPolarHBondContact O-CD1 3.44Å; L314-L318 WeakPolarHBondContact O-CG 3.47Å; L314-L318 PolarHBondContact O-N 2.76Å; L314-V457 HydrophobicContact CD1-CG1 3.27Å; L314-F459 HydrophobicContact CD2-CD1 3.97Å; L314-F459 HydrophobicContact CD2-CE1 4.17Å; L314-F459 HydrophobicContact CD2-CG 4.3Å
315	E	84.4	Confident	81.5	Confident	39 Å²	39	50.3 Å²	50.3	18%	0.182	29%	0.293	C	S	.	.	H	α-helix	trans	-60.5	-45.9	174.6	-174.2	175.7	-176.4	0	0	112	L305 H311 P312 L318 R319	L305-E315 HydrophobicContact CD1-CG 4.08Å; H311-E315 PolarHBondContact O-N 3.03Å; P312-E315 PolarHBondContact O-N 3.41Å; E315-L318 PolarHBondContact O-N 3.49Å; E315-R319 WeakPolarHBondContact O-CG 3.24Å; E315-R319 PolarHBondContact O-N 3.24Å; E315-R319 IonicContact OE1-CZ 3.08Å; E315-R319 IonicContact OE1-NE 3.52Å; E315-R319 PolarHBondContact OE1-NE 3.5Å; E315-R319 IonicContact OE1-NH2 3.34Å; E315-R319 PolarHBondContact OE1-NH2 2.98Å
316	S	86.8	Confident	82.3	Confident	63 Å²	63	54.9 Å²	54.9	44%	0.441	31%	0.311	S	S	.	.	H	α-helix	trans	-57.6	-51.5	174.9	-168.3	0	0	0	0	111.1	P312 L318 R319 D320	P312-S316 PolarHBondContact O-N 2.96Å; S316-L318 PolarHBondContact O-N 2.96Å; S316-R319 WeakPolarHBondContact O-CB 3.38Å; S316-R319 PolarHBondContact O-N 3.49Å; S316-R319 VanDerWaalsContact O-N 3.12Å; S316-D320 VanDerWaalsContact O-CG 3.23Å; S316-D320 PolarHBondContact O-N 3.47Å
317	R	87.6	Confident	83.2	Confident	102 Å²	102	54.7 Å²	54.7	39%	0.385	30%	0.299	S	S	.	.	H	α-helix	trans	-57.9	-38.6	179.8	-173.9	171.5	-178.6	-168.3	-5.9	112.4	A313 L314 D320 I321 E455 M456	A313-R317 WeakPolarHBondContact O-CB 2.95Å; A313-R317 PolarHBondContact O-N 3.35Å; L314-R317 PolarHBondContact O-N 3.44Å; R317-D320 PolarHBondContact O-N 3.09Å; R317-I321 HydrophobicContact CG-CD1 4.22Å; R317-I321 VanDerWaalsContact O-CG1 3.28Å; R317-I321 WeakPolarHBondContact O-CG1 3.12Å; R317-I321 PolarHBondContact O-N 2.99Å; R317-E455 IonicContact CZ-OE2 3.21Å; R317-E455 IonicContact NE-OE2 3.6Å; R317-E455 IonicContact NH2-OE2 3.6Å; R317-E455 PolarHBondContact NH2-OE2 3.25Å; R317-M456 PolarHBondContact NH1-O 3.38Å; R317-M456 PolarHBondContact NH2-O 3.07Å
318	L	82.8	Confident	83.7	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.026	28%	0.284	C	S	.	.	H	α-helix	trans	-74.7	-34.4	179.8	-68.8	162.5	0	0	0	112.4	L310 L314 E315 S316 D320 I321 A322 F340 F351 V457 F459	L310-L318 HydrophobicContact CD1-CD1 3.76Å; L314-L318 HydrophobicContact CD1-CD1 3.77Å; L314-L318 HydrophobicContact CD1-CG 4.23Å; L314-L318 HydrophobicContact CG-CD1 3.72Å; L314-L318 WeakPolarHBondContact O-CB 3.4Å; L314-L318 WeakPolarHBondContact O-CD1 3.44Å; L314-L318 WeakPolarHBondContact O-CG 3.47Å; L314-L318 PolarHBondContact O-N 2.76Å; E315-L318 PolarHBondContact O-N 3.49Å; S316-L318 PolarHBondContact O-N 2.96Å; L318-D320 VanDerWaalsContact C-N 3.33Å; L318-I321 HydrophobicContact CD2-CD1 4.24Å; L318-I321 PolarHBondContact O-N 3.34Å; L318-A322 WeakPolarHBondContact O-CB 3.34Å; L318-A322 PolarHBondContact O-N 2.99Å; L318-F340 HydrophobicContact CD2-CE1 4.18Å; L318-F340 HydrophobicContact CD2-CZ 4.13Å; L318-F351 HydrophobicContact CB-CE1 3.88Å; L318-F351 HydrophobicContact CB-CE2 4.37Å; L318-F351 HydrophobicContact CB-CZ 3.47Å; L318-F351 VanDerWaalsContact CB-CZ 3.47Å; L318-F351 HydrophobicContact CD1-CD1 3.9Å; L318-F351 HydrophobicContact CD1-CD2 4.11Å; L318-F351 HydrophobicContact CD1-CE1 3.43Å; L318-F351 VanDerWaalsContact CD1-CE1 3.43Å; L318-F351 HydrophobicContact CD1-CE2 3.57Å; L318-F351 HydrophobicContact CD1-CG 4.26Å; L318-F351 HydrophobicContact CD1-CZ 3.25Å; L318-F351 HydrophobicContact CD2-CD1 4.21Å; L318-F351 HydrophobicContact CD2-CE1 3.53Å; L318-F351 HydrophobicContact CD2-CZ 4.03Å; L318-F351 HydrophobicContact CG-CE1 3.77Å; L318-F351 HydrophobicContact CG-CE2 4.48Å; L318-F351 HydrophobicContact CG-CZ 3.72Å; L318-V457 HydrophobicContact CD2-CG1 4.1Å; L318-F459 HydrophobicContact CD1-CZ 4.38Å
319	R	81.7	Confident	83.4	Confident	138 Å²	138	55.3 Å²	55.3	52%	0.521	29%	0.289	S	S	.	.	H	α-helix	trans	-62.5	-42.8	169.1	-71.5	176.6	-173.4	-176.6	0.2	110.7	L305 E315 S316 I321 A322 I323	L305-R319 HydrophobicContact CD1-CG 4.44Å; E315-R319 WeakPolarHBondContact O-CG 3.24Å; E315-R319 PolarHBondContact O-N 3.24Å; E315-R319 IonicContact OE1-CZ 3.08Å; E315-R319 IonicContact OE1-NE 3.52Å; E315-R319 PolarHBondContact OE1-NE 3.5Å; E315-R319 IonicContact OE1-NH2 3.34Å; E315-R319 PolarHBondContact OE1-NH2 2.98Å; S316-R319 WeakPolarHBondContact O-CB 3.38Å; S316-R319 PolarHBondContact O-N 3.49Å; S316-R319 VanDerWaalsContact O-N 3.12Å; R319-I321 PolarHBondContact O-N 2.94Å; R319-A322 WeakPolarHBondContact O-CB 3.27Å; R319-A322 PolarHBondContact O-N 3.01Å; R319-I323 VanDerWaalsContact O-CG1 3.26Å; R319-I323 WeakPolarHBondContact O-CG1 3.45Å; R319-I323 PolarHBondContact O-N 2.84Å
320	D	85.6	Confident	83	Confident	84 Å²	84	64.1 Å²	64.1	45%	0.449	32%	0.319	S	S	.	.	H	α-helix	trans	-62.6	-42.7	176.6	-63.5	-27.6	0	0	0	111.4	S316 R317 L318 A322 I323 T324	S316-D320 VanDerWaalsContact O-CG 3.23Å; S316-D320 PolarHBondContact O-N 3.47Å; R317-D320 PolarHBondContact O-N 3.09Å; L318-D320 VanDerWaalsContact C-N 3.33Å; D320-A322 VanDerWaalsContact C-N 3.34Å; D320-A322 PolarHBondContact O-N 3.06Å; D320-I323 PolarHBondContact O-N 2.88Å; D320-T324 VanDerWaalsContact O-CB 3.25Å; D320-T324 WeakPolarHBondContact O-CB 3.47Å; D320-T324 PolarHBondContact O-N 3.45Å; D320-T324 PolarHBondContact O-OG1 3.24Å
321	I	84.2	Confident	82.9	Confident	7 Å²	7	69.4 Å²	69.4	4%	0.036	35%	0.348	C	S	.	.	H	α-helix	trans	-60.3	-43.3	173.5	-73.5	164.9	0	0	0	111.2	R317 L318 R319 T325 F338 W359 V457	R317-I321 HydrophobicContact CG-CD1 4.22Å; R317-I321 VanDerWaalsContact O-CG1 3.28Å; R317-I321 WeakPolarHBondContact O-CG1 3.12Å; R317-I321 PolarHBondContact O-N 2.99Å; L318-I321 HydrophobicContact CD2-CD1 4.24Å; L318-I321 PolarHBondContact O-N 3.34Å; R319-I321 PolarHBondContact O-N 2.94Å; I321-T325 WeakPolarHBondContact O-CB 3.49Å; I321-T325 PolarHBondContact O-N 2.98Å; I321-T325 PolarHBondContact O-OG1 3.49Å; I321-F338 HydrophobicContact CB-CE1 4.31Å; I321-F338 HydrophobicContact CD1-CD1 4.15Å; I321-F338 HydrophobicContact CD1-CE1 3.97Å; I321-F338 HydrophobicContact CG1-CE1 3.88Å; I321-F338 HydrophobicContact CG2-CD1 4.14Å; I321-F338 HydrophobicContact CG2-CE1 3.48Å; I321-F338 VanDerWaalsContact CG2-CE1 3.48Å; I321-F338 HydrophobicContact CG2-CE2 4.09Å; I321-F338 HydrophobicContact CG2-CZ 3.45Å; I321-F338 VanDerWaalsContact CG2-CZ 3.45Å; I321-W359 HydrophobicContact CG2-CZ2 4.25Å; I321-V457 HydrophobicContact CD1-CG2 3.86Å
322	A	79.5	Confident	82.4	Confident	15 Å²	15	76.3 Å²	76.3	12%	0.124	37%	0.371	C	S	.	.	H	α-helix	trans	-65.5	-42.4	178	0	0	0	0	0	112.1	L318 R319 D320 T325 K326 V358	L318-A322 WeakPolarHBondContact O-CB 3.34Å; L318-A322 PolarHBondContact O-N 2.99Å; R319-A322 WeakPolarHBondContact O-CB 3.27Å; R319-A322 PolarHBondContact O-N 3.01Å; D320-A322 VanDerWaalsContact C-N 3.34Å; D320-A322 PolarHBondContact O-N 3.06Å; A322-T325 PolarHBondContact O-N 3.49Å; A322-K326 VanDerWaalsContact O-CB 3.31Å; A322-K326 WeakPolarHBondContact O-CB 3.21Å; A322-K326 PolarHBondContact O-N 3.45Å; A322-V358 HydrophobicContact CB-CG1 4.34Å
323	I	82.8	Confident	81.7	Confident	91 Å²	91	74 Å²	74	47%	0.467	36%	0.361	S	S	.	.	H	α-helix	trans	-65.8	-50.5	176.6	-67.2	164.2	0	0	0	110.4	R319 D320 T325 K326 N327	R319-I323 VanDerWaalsContact O-CG1 3.26Å; R319-I323 WeakPolarHBondContact O-CG1 3.45Å; R319-I323 PolarHBondContact O-N 2.84Å; D320-I323 PolarHBondContact O-N 2.88Å; I323-T325 VanDerWaalsContact C-N 3.26Å; I323-T325 PolarHBondContact O-N 3.33Å; I323-K326 WeakPolarHBondContact O-CB 3.37Å; I323-K326 PolarHBondContact O-N 2.98Å; I323-N327 WeakPolarHBondContact O-CB 3.3Å; I323-N327 VanDerWaalsContact O-CG 3.3Å; I323-N327 PolarHBondContact O-N 2.95Å
324	T	84.1	Confident	81.2	Confident	58 Å²	58	76.9 Å²	76.9	36%	0.356	37%	0.367	S	S	.	.	H	α-helix	trans	-56	-45.5	177.1	-68.1	0	0	0	0	109.8	D320 K326 N327 T328	D320-T324 VanDerWaalsContact O-CB 3.25Å; D320-T324 WeakPolarHBondContact O-CB 3.47Å; D320-T324 PolarHBondContact O-N 3.45Å; D320-T324 PolarHBondContact O-OG1 3.24Å; T324-K326 PolarHBondContact O-N 3.37Å; T324-N327 CarbonylContact O-C 3.53Å; T324-N327 WeakPolarHBondContact O-CB 3.3Å; T324-N327 PolarHBondContact O-N 3Å; T324-N327 VanDerWaalsContact O-N 3.17Å; T324-T328 WeakPolarHBondContact O-CB 3.47Å; T324-T328 PolarHBondContact O-N 3.02Å; T324-T328 PolarHBondContact O-OG1 2.75Å
325	T	78.5	Confident	80.8	Confident	6 Å²	6	76.6 Å²	76.6	4%	0.037	37%	0.366	C	S	.	.	H	α-helix	trans	-73.2	-33.3	-177.3	-46.6	0	0	0	0	113.3	I321 A322 I323 N327 T328 K329 F335 W359	I321-T325 WeakPolarHBondContact O-CB 3.49Å; I321-T325 PolarHBondContact O-N 2.98Å; I321-T325 PolarHBondContact O-OG1 3.49Å; A322-T325 PolarHBondContact O-N 3.49Å; I323-T325 VanDerWaalsContact C-N 3.26Å; I323-T325 PolarHBondContact O-N 3.33Å; T325-N327 VanDerWaalsContact C-N 3.31Å; T325-N327 PolarHBondContact O-N 3.1Å; T325-T328 PolarHBondContact O-N 3.01Å; T325-K329 PolarHBondContact O-N 3.48Å; T325-F335 HydrophobicContact CG2-CD1 3.43Å; T325-F335 VanDerWaalsContact CG2-CD1 3.43Å; T325-F335 HydrophobicContact CG2-CE1 3.39Å; T325-W359 VanDerWaalsContact CB-CZ3 3.46Å; T325-W359 HydrophobicContact CG2-CE3 3.79Å; T325-W359 HydrophobicContact CG2-CH2 3.1Å; T325-W359 HydrophobicContact CG2-CZ2 4.02Å; T325-W359 HydrophobicContact CG2-CZ3 2.94Å; T325-W359 WeakPolarHBondContact OG1-CH2 3.49Å; T325-W359 WeakPolarHBondContact OG1-CZ2 3.49Å
326	K	76.3	Confident	80.7	Confident	124 Å²	124	80.3 Å²	80.3	54%	0.539	38%	0.378	S	S	.	.	H	α-helix	trans	-59.6	-42.8	168.5	-176.6	-177.9	178.8	-178.3	0	111.1	A322 I323 T324 K329 R330	A322-K326 VanDerWaalsContact O-CB 3.31Å; A322-K326 WeakPolarHBondContact O-CB 3.21Å; A322-K326 PolarHBondContact O-N 3.45Å; I323-K326 WeakPolarHBondContact O-CB 3.37Å; I323-K326 PolarHBondContact O-N 2.98Å; T324-K326 PolarHBondContact O-N 3.37Å; K326-K329 WeakPolarHBondContact O-CB 3.46Å; K326-K329 PolarHBondContact O-N 2.77Å; K326-R330 PolarHBondContact O-N 3.15Å
327	N	82.4	Confident	80.7	Confident	74 Å²	74	78.3 Å²	78.3	40%	0.396	36%	0.362	S	S	.	.	H	α-helix	trans	-69.4	-41.8	177.5	-70.6	-16.2	0	0	0	112.2	I323 T324 T325 K329 R330 N331	I323-N327 WeakPolarHBondContact O-CB 3.3Å; I323-N327 VanDerWaalsContact O-CG 3.3Å; I323-N327 PolarHBondContact O-N 2.95Å; T324-N327 CarbonylContact O-C 3.53Å; T324-N327 WeakPolarHBondContact O-CB 3.3Å; T324-N327 PolarHBondContact O-N 3Å; T324-N327 VanDerWaalsContact O-N 3.17Å; T325-N327 VanDerWaalsContact C-N 3.31Å; T325-N327 PolarHBondContact O-N 3.1Å; N327-K329 VanDerWaalsContact C-N 3.26Å; N327-K329 PolarHBondContact O-N 2.83Å; N327-R330 WeakPolarHBondContact O-CB 3.48Å; N327-R330 PolarHBondContact O-N 3.3Å; N327-N331 WeakPolarHBondContact O-CB 3.24Å; N327-N331 PolarHBondContact O-N 3.46Å
328	T	79.9	Confident	80.7	Confident	24 Å²	24	73.6 Å²	73.6	15%	0.147	35%	0.345	C	S	.	.	H	α-helix	trans	-56.1	-42.9	172.6	-63	0	0	0	0	110.6	T324 T325 N331 R332 G333 L334	T324-T328 WeakPolarHBondContact O-CB 3.47Å; T324-T328 PolarHBondContact O-N 3.02Å; T324-T328 PolarHBondContact O-OG1 2.75Å; T325-T328 PolarHBondContact O-N 3.01Å; T328-N331 PolarHBondContact O-N 3.06Å; T328-R332 CarbonylContact O-C 3.58Å; T328-R332 WeakPolarHBondContact O-CA 3.41Å; T328-R332 PolarHBondContact O-N 3.21Å; T328-G333 VanDerWaalsContact CG2-C 3.48Å; T328-G333 WeakPolarHBondContact CG2-O 3.43Å; T328-G333 PolarHBondContact O-N 3.41Å; T328-L334 WeakPolarHBondContact CG2-O 3.38Å
329	K	72.8	Confident	81.1	Confident	65 Å²	65	73.4 Å²	73.4	28%	0.283	34%	0.343	S	S	.	.	H	α-helix	trans	-60.8	-51.6	172.1	-171.6	-167.7	174.6	-163.7	0	110.7	T325 K326 N327 N331 R332 F335 T362 R396	T325-K329 PolarHBondContact O-N 3.48Å; K326-K329 WeakPolarHBondContact O-CB 3.46Å; K326-K329 PolarHBondContact O-N 2.77Å; N327-K329 VanDerWaalsContact C-N 3.26Å; N327-K329 PolarHBondContact O-N 2.83Å; K329-N331 VanDerWaalsContact C-N 3.26Å; K329-N331 PolarHBondContact O-N 3.29Å; K329-R332 PolarHBondContact O-N 3.13Å; K329-F335 HydrophobicContact CB-CZ 4.13Å; K329-F335 HydrophobicContact CG-CZ 4.47Å; K329-T362 VanDerWaalsContact CD-CB 3.42Å; K329-T362 HydrophobicContact CD-CG2 3.75Å; K329-T362 WeakPolarHBondContact CD-O 3.41Å; K329-T362 WeakPolarHBondContact CE-O 3.3Å; K329-T362 PolarHBondContact NZ-O 3Å; K329-R396 VanDerWaalsContact CG-NH1 3.33Å; K329-R396 PolarHBondContact O-NH1 3.35Å
330	R	77.5	Confident	81.6	Confident	209 Å²	209	66.8 Å²	66.8	79%	0.789	32%	0.319	S	S	*	.	H	α-helix	trans	-56.9	-42	-178.4	-172.6	178	179.7	174.8	-0.1	112.3	K326 N327 R332	K326-R330 PolarHBondContact O-N 3.15Å; N327-R330 WeakPolarHBondContact O-CB 3.48Å; N327-R330 PolarHBondContact O-N 3.3Å; R330-R332 VanDerWaalsContact C-N 3.31Å; R330-R332 PolarHBondContact O-N 3.28Å
331	N	82.7	Confident	81.9	Confident	126 Å²	126	65.3 Å²	65.3	67%	0.674	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	3.6	-175.5	-62.5	-14	0	0	0	113.7	N327 T328 K329 G333	N327-N331 WeakPolarHBondContact O-CB 3.24Å; N327-N331 PolarHBondContact O-N 3.46Å; T328-N331 PolarHBondContact O-N 3.06Å; K329-N331 VanDerWaalsContact C-N 3.26Å; K329-N331 PolarHBondContact O-N 3.29Å; N331-G333 PolarHBondContact O-N 3.08Å
332	R	75.7	Confident	82.3	Confident	208 Å²	208	65.4 Å²	65.4	79%	0.785	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	35.2	-174.4	-52.7	179.4	177.9	174.9	-0.9	115.4	T328 K329 R330 R396	T328-R332 CarbonylContact O-C 3.58Å; T328-R332 WeakPolarHBondContact O-CA 3.41Å; T328-R332 PolarHBondContact O-N 3.21Å; K329-R332 PolarHBondContact O-N 3.13Å; R330-R332 VanDerWaalsContact C-N 3.31Å; R330-R332 PolarHBondContact O-N 3.28Å; R332-R396 VanDerWaalsContact CB-NH2 3.27Å
333	G	74.5	Confident	82.8	Confident	31 Å²	31	67.1 Å²	67.1	32%	0.32	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-75.1	171.9	173.3	0	0	0	0	0	113.2	T328 N331	T328-G333 VanDerWaalsContact CG2-C 3.48Å; T328-G333 WeakPolarHBondContact CG2-O 3.43Å; T328-G333 PolarHBondContact O-N 3.41Å; N331-G333 PolarHBondContact O-N 3.08Å
334	L	77.6	Confident	83.1	Confident	126 Å²	126	66.6 Å²	66.6	66%	0.66	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-70.6	133.4	174	-66.9	132.8	0	0	0	110.3	T328 L430	T328-L334 WeakPolarHBondContact CG2-O 3.38Å; L334-L430 WeakPolarHBondContact CD2-O 3.37Å
335	F	78.7	Confident	83.2	Confident	14 Å²	14	65 Å²	65	6%	0.061	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-73.4	145.6	173.1	-75.1	-81.9	0	0	0	111.2	T325 K329 R396 F433	T325-F335 HydrophobicContact CG2-CD1 3.43Å; T325-F335 VanDerWaalsContact CG2-CD1 3.43Å; T325-F335 HydrophobicContact CG2-CE1 3.39Å; K329-F335 HydrophobicContact CB-CZ 4.13Å; K329-F335 HydrophobicContact CG-CZ 4.47Å; F335-R396 HydrophobicContact CE2-CB 3.85Å; F335-R396 VanDerWaalsContact CE2-CD 3.46Å; F335-R396 HydrophobicContact CE2-CG 3.59Å; F335-R396 HydrophobicContact CZ-CB 3.92Å; F335-R396 HydrophobicContact CZ-CG 4.02Å; F335-F433 WeakPolarHBondContact CB-O 3.46Å
336	R	83.2	Confident	83.7	Confident	116 Å²	116	65.6 Å²	65.6	44%	0.438	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-93.8	151.8	174.5	-65.9	-177.4	-174.1	174.8	0.5	110.9	F338 S434 D454 E455	R336-F338 HydrophobicContact CB-CE1 4.42Å; R336-F338 HydrophobicContact CB-CE2 4.22Å; R336-F338 HydrophobicContact CB-CZ 3.89Å; R336-F338 VanDerWaalsContact O-CE2 3.29Å; R336-F338 WeakPolarHBondContact O-CE2 3.45Å; R336-S434 PolarHBondContact O-OG 2.93Å; R336-D454 VanDerWaalsContact CA-OD2 3.27Å; R336-D454 WeakPolarHBondContact CA-OD2 3.4Å; R336-D454 HydrophobicContact CB-CB 3.95Å; R336-D454 HydrophobicContact CG-CB 4.17Å; R336-E455 IonicContact NH1-OE1 2.87Å; R336-E455 PolarHBondContact NH1-OE1 3Å
337	N	85.8	Confident	84.2	Confident	22 Å²	22	61 Å²	61	12%	0.118	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-98.2	136.4	172.9	-60.8	-41.2	0	0	0	110.4	M435 R452 L453 D454 E455	N337-M435 CarbonylContact C-O 3.55Å; N337-M435 VanDerWaalsContact CA-O 3.32Å; N337-M435 WeakPolarHBondContact CA-O 3.46Å; N337-M435 HydrophobicContact CB-CB 4.41Å; N337-M435 WeakPolarHBondContact OD1-CB 3.35Å; N337-M435 PolarHBondContact OD1-N 3.16Å; N337-R452 WeakPolarHBondContact CB-O 3.49Å; N337-R452 PolarHBondContact ND2-O 3.22Å; N337-L453 HydrophobicContact CB-CD2 4.26Å; N337-D454 PolarHBondContact N-OD2 3.16Å; N337-D454 PolarHBondContact O-N 3.27Å; N337-D454 VanDerWaalsContact O-N 3.08Å; N337-E455 PolarHBondContact O-N 3.43Å; N337-E455 VanDerWaalsContact O-N 3.08Å
338	F	88.1	Confident	84.5	Confident	3 Å²	3	58 Å²	58	1%	0.013	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.8	-174.7	-57.8	-81.5	0	0	0	111.3	I321 R336 F340 W359 M435 V436 L437 E455	I321-F338 HydrophobicContact CB-CE1 4.31Å; I321-F338 HydrophobicContact CD1-CD1 4.15Å; I321-F338 HydrophobicContact CD1-CE1 3.97Å; I321-F338 HydrophobicContact CG1-CE1 3.88Å; I321-F338 HydrophobicContact CG2-CD1 4.14Å; I321-F338 HydrophobicContact CG2-CE1 3.48Å; I321-F338 VanDerWaalsContact CG2-CE1 3.48Å; I321-F338 HydrophobicContact CG2-CE2 4.09Å; I321-F338 HydrophobicContact CG2-CZ 3.45Å; I321-F338 VanDerWaalsContact CG2-CZ 3.45Å; R336-F338 HydrophobicContact CB-CE1 4.42Å; R336-F338 HydrophobicContact CB-CE2 4.22Å; R336-F338 HydrophobicContact CB-CZ 3.89Å; R336-F338 VanDerWaalsContact O-CE2 3.29Å; R336-F338 WeakPolarHBondContact O-CE2 3.45Å; F338-F340 HydrophobicContact CB-CE1 4.15Å; F338-W359 HydrophobicContact CE2-CH2 4.35Å; F338-M435 PolarHBondContact N-O 3.19Å; F338-V436 HydrophobicContact CB-CG1 4.47Å; F338-V436 HydrophobicContact CB-CG2 4.37Å; F338-V436 HydrophobicContact CD2-CG2 4.13Å; F338-V436 CarbonylContact O-C 3.53Å; F338-V436 WeakPolarHBondContact O-CA 3.42Å; F338-L437 PolarHBondContact O-N 3.01Å; F338-E455 CarbonylContact C-O 3.59Å; F338-E455 VanDerWaalsContact CA-O 3.31Å; F338-E455 WeakPolarHBondContact CA-O 3.08Å; F338-E455 HydrophobicContact CD1-CB 3.71Å; F338-E455 HydrophobicContact CE1-CB 3.96Å; F338-E455 HydrophobicContact CE1-CG 4.4Å
339	L	90.9	Very high	84.7	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	115.4	169.4	171	57.8	0	0	0	110.7	Y341 L437 P442 F445 L453 E455 M456 V457	L339-Y341 HydrophobicContact CG-CD1 4.5Å; L339-L437 CarbonylContact C-O 3.58Å; L339-L437 HydrophobicContact CD1-CB 3.93Å; L339-P442 HydrophobicContact CD2-CB 4.29Å; L339-F445 HydrophobicContact CD1-CE2 3.62Å; L339-F445 HydrophobicContact CD1-CZ 4.28Å; L339-F445 HydrophobicContact CD2-CD2 4.09Å; L339-F445 HydrophobicContact CD2-CE2 3.82Å; L339-F445 HydrophobicContact CG-CE2 4.38Å; L339-L453 HydrophobicContact CB-CD1 3.75Å; L339-L453 HydrophobicContact CB-CD2 4.16Å; L339-L453 HydrophobicContact CB-CG 4.4Å; L339-L453 HydrophobicContact CD2-CD1 3.62Å; L339-L453 HydrophobicContact CG-CD1 4.2Å; L339-E455 PolarHBondContact N-O 3.13Å; L339-M456 HydrophobicContact CB-CG 4.28Å; L339-M456 HydrophobicContact CD2-CE 3.86Å; L339-M456 HydrophobicContact CD2-CG 4.29Å; L339-M456 HydrophobicContact CD2-SD 4.5Å; L339-V457 PolarHBondContact O-N 2.91Å
340	F	92.5	Very high	85.1	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	114.4	170.8	-64.1	-7.3	0	0	0	109.2	L318 F338 K348 F351 A352 M355 V436 L437 A438 S439 V457 F459	L318-F340 HydrophobicContact CD2-CE1 4.18Å; L318-F340 HydrophobicContact CD2-CZ 4.13Å; F338-F340 HydrophobicContact CB-CE1 4.15Å; F340-K348 HydrophobicContact CB-CB 4.41Å; F340-K348 HydrophobicContact CB-CD 4.47Å; F340-F351 HydrophobicContact CE2-CD1 4.01Å; F340-F351 HydrophobicContact CZ-CD1 4.31Å; F340-A352 HydrophobicContact CD2-CB 4.17Å; F340-A352 HydrophobicContact CE2-CB 3.95Å; F340-M355 HydrophobicContact CE2-CE 4.18Å; F340-M355 HydrophobicContact CZ-CE 3.82Å; F340-M355 HydrophobicContact CZ-SD 3.89Å; F340-V436 HydrophobicContact CD2-CG1 3.9Å; F340-V436 HydrophobicContact CE1-CG1 4.31Å; F340-V436 HydrophobicContact CE2-CG1 3.62Å; F340-V436 HydrophobicContact CG-CG1 4.36Å; F340-V436 HydrophobicContact CZ-CG1 3.86Å; F340-L437 PolarHBondContact N-O 3.5Å; F340-A438 HydrophobicContact CB-CB 4.45Å; F340-A438 WeakPolarHBondContact O-CA 3.35Å; F340-S439 PolarHBondContact O-N 3.14Å; F340-V457 WeakPolarHBondContact CA-O 3.49Å; F340-V457 HydrophobicContact CD1-CB 3.8Å; F340-V457 HydrophobicContact CD1-CG1 4.46Å; F340-V457 HydrophobicContact CD1-CG2 4.2Å; F340-V457 HydrophobicContact CE1-CB 4.06Å; F340-V457 HydrophobicContact CE1-CG2 4.03Å; F340-F459 HydrophobicContact CB-CD2 4.2Å; F340-F459 HydrophobicContact CB-CE2 3.7Å; F340-F459 HydrophobicContact CD1-CE2 4.03Å; F340-F459 HydrophobicContact CD2-CE2 4.04Å; F340-F459 HydrophobicContact CD2-CZ 4.23Å; F340-F459 AromaticContact CG-CE2 3.66Å; F340-F459 HydrophobicContact CG-CE2 3.66Å; F340-F459 HydrophobicContact CG-CZ 4.3Å
341	Y	93.2	Very high	85.3	Confident	52 Å²	52	51 Å²	51	20%	0.204	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.6	-177.4	73.6	-80.8	0	0	0	112.1	L339 S439 P442 M456 V457 Q458 F459	L339-Y341 HydrophobicContact CG-CD1 4.5Å; Y341-S439 WeakPolarHBondContact CA-O 3.29Å; Y341-P442 HydrophobicContact CD2-CG 3.93Å; Y341-P442 HydrophobicContact CG-CB 4.48Å; Y341-P442 HydrophobicContact CG-CG 4.2Å; Y341-M456 HydrophobicContact CD1-CB 4.25Å; Y341-M456 HydrophobicContact CD1-CE 4.09Å; Y341-M456 HydrophobicContact CE1-CB 3.78Å; Y341-M456 HydrophobicContact CE1-CE 3.94Å; Y341-V457 VanDerWaalsContact CD1-O 3.32Å; Y341-V457 WeakPolarHBondContact CD1-O 3.36Å; Y341-V457 PolarHBondContact N-O 3.13Å; Y341-Q458 HydrophobicContact CD2-CG 4.25Å; Y341-Q458 HydrophobicContact CE1-CB 3.85Å; Y341-Q458 HydrophobicContact CE1-CG 4.46Å; Y341-Q458 HydrophobicContact CE2-CB 3.91Å; Y341-Q458 HydrophobicContact CE2-CG 3.61Å; Y341-Q458 VanDerWaalsContact CZ-CB 3.49Å; Y341-Q458 CarbonylContact O-C 3.32Å; Y341-Q458 WeakPolarHBondContact O-CA 3.38Å; Y341-Q458 WeakPolarHBondContact OH-CB 3.32Å; Y341-F459 PolarHBondContact O-N 3.17Å
342	G	91.3	Very high	85	Confident	10 Å²	10	45 Å²	45	10%	0.103	24%	0.241	C	C	.	.	S	Bend	trans	148.8	-176	178.5	0	0	0	0	0	112.2	K348	G342-K348 PolarHBondContact O-NZ 3.07Å
343	P	90	Very high	84.9	Confident	51 Å²	51	38 Å²	38	33%	0.331	22%	0.216	S	C	.	.	S	Bend	trans	-58.2	154.5	178.8	-24.3	35.2	0	0	0	113	T346 K348 F459 L461	P343-T346 HydrophobicContact CB-CG2 4.11Å; P343-T346 HydrophobicContact CG-CG2 4.46Å; P343-T346 PolarHBondContact O-OG1 2.67Å; P343-K348 PolarHBondContact O-NZ 2.96Å; P343-F459 VanDerWaalsContact CD-O 3.24Å; P343-F459 WeakPolarHBondContact CD-O 3.45Å; P343-L461 HydrophobicContact CB-CD2 4.32Å; P343-L461 HydrophobicContact CG-CD2 4.44Å; P343-L461 HydrophobicContact CG-CG 4.3Å
344	P	89.2	Confident	84.8	Confident	80 Å²	80	37 Å²	37	52%	0.519	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	144	175.6	27.7	-34.5	0	0	0	111	N440	P344-N440 WeakPolarHBondContact CA-OD1 3.45Å
345	G	87.2	Confident	84.6	Confident	25 Å²	25	31.1 Å²	31.1	26%	0.258	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	11.1	175.8	0	0	0	0	0	116	G347 G526 R527	G345-G347 VanDerWaalsContact C-N 3.26Å; G345-G347 PolarHBondContact O-N 2.94Å; G345-G526 CarbonylContact O-C 3.52Å; G345-G526 WeakPolarHBondContact O-CA 3.14Å; G345-G526 PolarHBondContact O-N 3.46Å; G345-G526 VanDerWaalsContact O-N 3.11Å; G345-R527 PolarHBondContact O-N 2.72Å
346	T	89	Confident	84	Confident	17 Å²	17	30.5 Å²	30.5	10%	0.104	17%	0.171	C	C	.	.	S	Bend	trans	-83	5.4	172.7	54.6	0	0	0	0	114.2	P343 F459 L461	P343-T346 HydrophobicContact CB-CG2 4.11Å; P343-T346 HydrophobicContact CG-CG2 4.46Å; P343-T346 PolarHBondContact O-OG1 2.67Å; T346-F459 WeakPolarHBondContact OG1-CB 3.34Å; T346-L461 HydrophobicContact CG2-CD2 4.22Å
347	G	86.1	Confident	83.2	Confident	29 Å²	29	26 Å²	26	30%	0.299	16%	0.159	S	C	.	.	S	Bend	trans	87.9	11	174.9	0	0	0	0	0	115.8	G345 T349 M350 F351	G345-G347 VanDerWaalsContact C-N 3.26Å; G345-G347 PolarHBondContact O-N 2.94Å; G347-T349 VanDerWaalsContact C-N 3.3Å; G347-T349 PolarHBondContact O-N 3.42Å; G347-M350 PolarHBondContact O-N 3.01Å; G347-F351 WeakPolarHBondContact O-CB 3.43Å; G347-F351 PolarHBondContact O-N 2.85Å
348	K	88.4	Confident	82.1	Confident	11 Å²	11	27.3 Å²	27.3	5%	0.048	17%	0.168	C	C	.	.	H	α-helix	trans	-44.1	-50.9	177	-60.8	-173.2	-70.8	-93	0	113.7	F340 G342 P343 F351 A352 A438 S439 N440 F459	F340-K348 HydrophobicContact CB-CB 4.41Å; F340-K348 HydrophobicContact CB-CD 4.47Å; G342-K348 PolarHBondContact O-NZ 3.07Å; P343-K348 PolarHBondContact O-NZ 2.96Å; K348-F351 PolarHBondContact O-N 3.34Å; K348-A352 WeakPolarHBondContact O-CB 3.5Å; K348-A352 PolarHBondContact O-N 2.91Å; K348-A438 HydrophobicContact CB-CB 4.28Å; K348-S439 WeakPolarHBondContact CE-O 3.14Å; K348-N440 WeakPolarHBondContact CE-OD1 3.38Å; K348-N440 PolarHBondContact NZ-OD1 2.96Å; K348-F459 HydrophobicContact CD-CD2 4.4Å; K348-F459 HydrophobicContact CG-CB 4.04Å; K348-F459 HydrophobicContact CG-CD1 4.24Å; K348-F459 HydrophobicContact CG-CD2 3.78Å; K348-F459 HydrophobicContact CG-CE2 4.3Å; K348-F459 HydrophobicContact CG-CG 3.75Å
349	T	83.7	Confident	81	Confident	43 Å²	43	27.5 Å²	27.5	26%	0.264	17%	0.168	S	C	.	.	H	α-helix	trans	-68.1	-42.7	179.4	-41.8	0	0	0	0	112.7	G347 F351 A352 K353 F400 D402	G347-T349 VanDerWaalsContact C-N 3.3Å; G347-T349 PolarHBondContact O-N 3.42Å; T349-F351 VanDerWaalsContact C-N 3.3Å; T349-A352 PolarHBondContact O-N 2.79Å; T349-K353 WeakPolarHBondContact O-CG 3.47Å; T349-K353 PolarHBondContact O-N 3.11Å; T349-F400 HydrophobicContact CG2-CE1 3.96Å; T349-F400 HydrophobicContact CG2-CZ 4.3Å; T349-D402 HydrophobicContact CG2-CB 4.49Å; T349-D402 WeakPolarHBondContact CG2-OD2 3.27Å; T349-D402 PolarHBondContact OG1-OD1 3.35Å; T349-D402 PolarHBondContact OG1-OD2 3.47Å
350	M	81.7	Confident	79.2	Confident	104 Å²	104	35.4 Å²	35.4	51%	0.512	20%	0.198	S	C	.	.	H	α-helix	trans	-65.6	-39.2	178.5	-178.3	174.4	-179.6	0	0	110.6	V308 G347 K353 A354	V308-M350 HydrophobicContact CG2-CE 4.07Å; V308-M350 HydrophobicContact CG2-CG 4.47Å; G347-M350 PolarHBondContact O-N 3.01Å; M350-K353 WeakPolarHBondContact O-CB 3.31Å; M350-K353 PolarHBondContact O-N 2.99Å; M350-A354 WeakPolarHBondContact O-CB 3.16Å; M350-A354 PolarHBondContact O-N 2.75Å
351	F	81.2	Confident	77.2	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.018	23%	0.231	C	C	.	.	H	α-helix	trans	-67.6	-44.6	175.8	-169.5	-84.7	0	0	0	111.5	L305 V308 L310 L318 F340 G347 K348 T349 K353 A354 M355 F459	L305-F351 HydrophobicContact CD2-CD2 4.1Å; L305-F351 HydrophobicContact CD2-CE2 3.29Å; L305-F351 HydrophobicContact CD2-CZ 3.81Å; V308-F351 HydrophobicContact CG1-CD2 4.16Å; L310-F351 HydrophobicContact CD1-CD2 3.4Å; L310-F351 HydrophobicContact CD1-CE2 3.39Å; L310-F351 HydrophobicContact CD1-CG 4.37Å; L310-F351 HydrophobicContact CD1-CZ 4.42Å; L310-F351 HydrophobicContact CG-CD2 4.42Å; L318-F351 HydrophobicContact CB-CE1 3.88Å; L318-F351 HydrophobicContact CB-CE2 4.37Å; L318-F351 HydrophobicContact CB-CZ 3.47Å; L318-F351 VanDerWaalsContact CB-CZ 3.47Å; L318-F351 HydrophobicContact CD1-CD1 3.9Å; L318-F351 HydrophobicContact CD1-CD2 4.11Å; L318-F351 HydrophobicContact CD1-CE1 3.43Å; L318-F351 VanDerWaalsContact CD1-CE1 3.43Å; L318-F351 HydrophobicContact CD1-CE2 3.57Å; L318-F351 HydrophobicContact CD1-CG 4.26Å; L318-F351 HydrophobicContact CD1-CZ 3.25Å; L318-F351 HydrophobicContact CD2-CD1 4.21Å; L318-F351 HydrophobicContact CD2-CE1 3.53Å; L318-F351 HydrophobicContact CD2-CZ 4.03Å; L318-F351 HydrophobicContact CG-CE1 3.77Å; L318-F351 HydrophobicContact CG-CE2 4.48Å; L318-F351 HydrophobicContact CG-CZ 3.72Å; F340-F351 HydrophobicContact CE2-CD1 4.01Å; F340-F351 HydrophobicContact CZ-CD1 4.31Å; G347-F351 WeakPolarHBondContact O-CB 3.43Å; G347-F351 PolarHBondContact O-N 2.85Å; K348-F351 PolarHBondContact O-N 3.34Å; T349-F351 VanDerWaalsContact C-N 3.3Å; F351-K353 VanDerWaalsContact C-N 3.25Å; F351-K353 PolarHBondContact O-N 3.38Å; F351-A354 CarbonylContact O-C 3.59Å; F351-A354 WeakPolarHBondContact O-CB 3.5Å; F351-A354 PolarHBondContact O-N 2.85Å; F351-A354 VanDerWaalsContact O-N 3.1Å; F351-M355 HydrophobicContact CD1-CB 4.41Å; F351-M355 HydrophobicContact CE1-CB 3.99Å; F351-M355 HydrophobicContact CE1-CG 4.47Å; F351-M355 HydrophobicContact CE1-SD 4.33Å; F351-M355 WeakPolarHBondContact O-CB 3.27Å; F351-M355 PolarHBondContact O-N 3.2Å; F351-F459 HydrophobicContact CB-CE1 3.88Å; F351-F459 HydrophobicContact CB-CZ 3.99Å; F351-F459 HydrophobicContact CD1-CZ 4.05Å; F351-F459 HydrophobicContact CG-CE1 4.08Å; F351-F459 AromaticContact CG-CZ 4Å; F351-F459 HydrophobicContact CG-CZ 4Å
352	A	78	Confident	75.3	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.5	-38.8	176.1	0	0	0	0	0	112.3	F340 K348 T349 M355 C356 F400	F340-A352 HydrophobicContact CD2-CB 4.17Å; F340-A352 HydrophobicContact CE2-CB 3.95Å; K348-A352 WeakPolarHBondContact O-CB 3.5Å; K348-A352 PolarHBondContact O-N 2.91Å; T349-A352 PolarHBondContact O-N 2.79Å; A352-M355 PolarHBondContact O-N 2.7Å; A352-C356 PolarHBondContact O-N 3.47Å; A352-C356 PolarHBondContact O-SG 3.36Å; A352-F400 HydrophobicContact CB-CD1 4.18Å; A352-F400 HydrophobicContact CB-CD2 3.38Å; A352-F400 HydrophobicContact CB-CE1 3.91Å; A352-F400 HydrophobicContact CB-CE2 3.07Å; A352-F400 HydrophobicContact CB-CG 3.95Å; A352-F400 HydrophobicContact CB-CZ 3.38Å
353	K	73.3	Confident	73.5	Confident	59 Å²	59	42.1 Å²	42.1	26%	0.257	23%	0.232	S	C	.	.	H	α-helix	trans	-61.4	-48.9	170.2	-78	-179.8	176	-147.4	0	112.4	E281 T349 M350 F351 M355 C356 A357 I367	E281-K353 IonicContact OE1-NZ 3.46Å; E281-K353 PolarHBondContact OE1-NZ 3.14Å; E281-K353 IonicContact OE2-NZ 2.89Å; T349-K353 WeakPolarHBondContact O-CG 3.47Å; T349-K353 PolarHBondContact O-N 3.11Å; M350-K353 WeakPolarHBondContact O-CB 3.31Å; M350-K353 PolarHBondContact O-N 2.99Å; F351-K353 VanDerWaalsContact C-N 3.25Å; F351-K353 PolarHBondContact O-N 3.38Å; K353-M355 VanDerWaalsContact C-N 3.29Å; K353-M355 PolarHBondContact O-N 2.89Å; K353-C356 PolarHBondContact O-N 2.95Å; K353-A357 PolarHBondContact O-N 2.95Å; K353-I367 HydrophobicContact CB-CD1 4.43Å; K353-I367 HydrophobicContact CD-CD1 4.38Å; K353-I367 HydrophobicContact CG-CD1 3.47Å; K353-I367 VanDerWaalsContact CG-CD1 3.47Å
354	A	72.7	Confident	71.9	Confident	10 Å²	10	42.3 Å²	42.3	8%	0.083	23%	0.229	C	C	.	.	H	α-helix	trans	-59.2	-42	177.1	0	0	0	0	0	111.2	P304 L305 V308 M350 F351 A357 V358	P304-A354 WeakPolarHBondContact O-CB 3.34Å; L305-A354 HydrophobicContact CD2-CB 4.45Å; V308-A354 HydrophobicContact CG2-CB 4.31Å; M350-A354 WeakPolarHBondContact O-CB 3.16Å; M350-A354 PolarHBondContact O-N 2.75Å; F351-A354 CarbonylContact O-C 3.59Å; F351-A354 WeakPolarHBondContact O-CB 3.5Å; F351-A354 PolarHBondContact O-N 2.85Å; F351-A354 VanDerWaalsContact O-N 3.1Å; A354-A357 CarbonylContact O-C 3.52Å; A354-A357 WeakPolarHBondContact O-CA 3.36Å; A354-A357 VanDerWaalsContact O-CB 3.3Å; A354-A357 WeakPolarHBondContact O-CB 3.44Å; A354-A357 PolarHBondContact O-N 3.13Å; A354-A357 VanDerWaalsContact O-N 3.09Å; A354-V358 WeakPolarHBondContact O-CG2 3.47Å; A354-V358 PolarHBondContact O-N 3.41Å
355	M	71.6	Confident	70.4	Confident	3 Å²	3	39 Å²	39	2%	0.015	21%	0.205	C	C	.	.	H	α-helix	trans	-61.8	-47.5	175.3	-171	176.3	73.9	0	0	111.1	F340 F351 A352 K353 A357 V358 W359 V436	F340-M355 HydrophobicContact CE2-CE 4.18Å; F340-M355 HydrophobicContact CZ-CE 3.82Å; F340-M355 HydrophobicContact CZ-SD 3.89Å; F351-M355 HydrophobicContact CD1-CB 4.41Å; F351-M355 HydrophobicContact CE1-CB 3.99Å; F351-M355 HydrophobicContact CE1-CG 4.47Å; F351-M355 HydrophobicContact CE1-SD 4.33Å; F351-M355 WeakPolarHBondContact O-CB 3.27Å; F351-M355 PolarHBondContact O-N 3.2Å; A352-M355 PolarHBondContact O-N 2.7Å; K353-M355 VanDerWaalsContact C-N 3.29Å; K353-M355 PolarHBondContact O-N 2.89Å; M355-A357 PolarHBondContact O-N 2.96Å; M355-V358 WeakPolarHBondContact O-CB 3.29Å; M355-V358 PolarHBondContact O-N 3.04Å; M355-W359 HydrophobicContact CE-CZ2 4.44Å; M355-W359 HydrophobicContact CG-CZ2 4.3Å; M355-W359 VanDerWaalsContact CG-NE1 3.28Å; M355-W359 PolarHBondContact O-N 3.43Å; M355-W359 HydrophobicContact SD-CZ2 4.12Å; M355-V436 HydrophobicContact CE-CB 4.43Å; M355-V436 HydrophobicContact CE-CG1 4.02Å; M355-V436 HydrophobicContact CE-CG2 3.63Å
356	C	67.6	Low	68.9	Low	2 Å²	2	38.7 Å²	38.7	1%	0.014	20%	0.199	C	C	.	.	H	α-helix	trans	-58.6	-34.3	173.4	-65.9	0	0	0	0	112	A352 K353 W359 R360 W365	A352-C356 PolarHBondContact O-N 3.47Å; A352-C356 PolarHBondContact O-SG 3.36Å; K353-C356 PolarHBondContact O-N 2.95Å; C356-W359 PolarHBondContact O-N 3.47Å; C356-R360 PolarHBondContact O-N 2.98Å; C356-W365 HydrophobicContact CB-CB 4.4Å; C356-W365 HydrophobicContact CB-CD2 3.69Å; C356-W365 HydrophobicContact CB-CE3 4.2Å; C356-W365 HydrophobicContact CB-CG 3.79Å; C356-W365 HydrophobicContact CB-CZ2 4.36Å; C356-W365 PolarHBondContact O-NE1 3.43Å
357	A	65.2	Low	67.4	Low	22 Å²	22	37.9 Å²	37.9	18%	0.182	19%	0.194	C	C	.	.	H	α-helix	trans	-68.4	-40.3	172.9	0	0	0	0	0	112.9	P304 K353 A354 M355 W359 R360	P304-A357 HydrophobicContact CB-CB 4.43Å; K353-A357 PolarHBondContact O-N 2.95Å; A354-A357 CarbonylContact O-C 3.52Å; A354-A357 WeakPolarHBondContact O-CA 3.36Å; A354-A357 VanDerWaalsContact O-CB 3.3Å; A354-A357 WeakPolarHBondContact O-CB 3.44Å; A354-A357 PolarHBondContact O-N 3.13Å; A354-A357 VanDerWaalsContact O-N 3.09Å; M355-A357 PolarHBondContact O-N 2.96Å; A357-W359 PolarHBondContact O-N 3.31Å; A357-R360 WeakPolarHBondContact O-CB 3.45Å; A357-R360 WeakPolarHBondContact O-CD 3.47Å; A357-R360 VanDerWaalsContact O-CG 3.32Å; A357-R360 WeakPolarHBondContact O-CG 3.44Å; A357-R360 PolarHBondContact O-N 3.24Å
358	V	63.1	Low	65.9	Low	49 Å²	49	36.6 Å²	36.6	30%	0.297	18%	0.18	S	C	.	.	H	α-helix	trans	-59.1	-41	171.3	-177.6	0	0	0	0	110.3	P304 A322 A354 M355 R360	P304-V358 HydrophobicContact CB-CB 3.91Å; P304-V358 HydrophobicContact CB-CG2 3.22Å; P304-V358 VanDerWaalsContact CG-CA 3.44Å; P304-V358 HydrophobicContact CG-CB 3.71Å; P304-V358 HydrophobicContact CG-CG1 4.14Å; P304-V358 HydrophobicContact CG-CG2 3.41Å; P304-V358 VanDerWaalsContact CG-CG2 3.41Å; A322-V358 HydrophobicContact CB-CG1 4.34Å; A354-V358 WeakPolarHBondContact O-CG2 3.47Å; A354-V358 PolarHBondContact O-N 3.41Å; M355-V358 WeakPolarHBondContact O-CB 3.29Å; M355-V358 PolarHBondContact O-N 3.04Å; V358-R360 PolarHBondContact O-N 3.47Å
359	W	64.5	Low	64.3	Low	7 Å²	7	36.3 Å²	36.3	3%	0.027	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-79.9	-0.2	-175.9	-64.9	40.5	0	0	0	112.1	I321 T325 F338 M355 C356 A357 H361 T362 P363 I398	I321-W359 HydrophobicContact CG2-CZ2 4.25Å; T325-W359 VanDerWaalsContact CB-CZ3 3.46Å; T325-W359 HydrophobicContact CG2-CE3 3.79Å; T325-W359 HydrophobicContact CG2-CH2 3.1Å; T325-W359 HydrophobicContact CG2-CZ2 4.02Å; T325-W359 HydrophobicContact CG2-CZ3 2.94Å; T325-W359 WeakPolarHBondContact OG1-CH2 3.49Å; T325-W359 WeakPolarHBondContact OG1-CZ2 3.49Å; F338-W359 HydrophobicContact CE2-CH2 4.35Å; M355-W359 HydrophobicContact CE-CZ2 4.44Å; M355-W359 HydrophobicContact CG-CZ2 4.3Å; M355-W359 VanDerWaalsContact CG-NE1 3.28Å; M355-W359 PolarHBondContact O-N 3.43Å; M355-W359 HydrophobicContact SD-CZ2 4.12Å; C356-W359 PolarHBondContact O-N 3.47Å; A357-W359 PolarHBondContact O-N 3.31Å; W359-H361 PolarHBondContact O-N 3.01Å; W359-T362 PolarHBondContact O-N 2.72Å; W359-P363 HydrophobicContact CB-CG 4.46Å; W359-P363 HydrophobicContact CE3-CG 3.89Å; W359-P363 WeakPolarHBondContact O-CD 3.39Å; W359-I398 HydrophobicContact CB-CD1 3.92Å; W359-I398 HydrophobicContact CD2-CD1 3.55Å; W359-I398 HydrophobicContact CE3-CD1 3.09Å; W359-I398 HydrophobicContact CE3-CG1 3.86Å; W359-I398 HydrophobicContact CG-CD1 3.96Å; W359-I398 HydrophobicContact CH2-CD1 4.31Å; W359-I398 HydrophobicContact CZ3-CD1 3.46Å; W359-I398 VanDerWaalsContact CZ3-CD1 3.46Å; W359-I398 HydrophobicContact CZ3-CG1 3.83Å
360	R	53.5	Low	62.6	Low	166 Å²	166	40.2 Å²	40.2	63%	0.626	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-50.6	-23.1	179.3	-88.6	174.2	167.8	146.6	0.7	114.7	C356 A357 V358 T362	C356-R360 PolarHBondContact O-N 2.98Å; A357-R360 WeakPolarHBondContact O-CB 3.45Å; A357-R360 WeakPolarHBondContact O-CD 3.47Å; A357-R360 VanDerWaalsContact O-CG 3.32Å; A357-R360 WeakPolarHBondContact O-CG 3.44Å; A357-R360 PolarHBondContact O-N 3.24Å; V358-R360 PolarHBondContact O-N 3.47Å; R360-T362 PolarHBondContact O-N 2.8Å
361	H	51.3	Low	61.2	Low	151 Å²	151	37 Å²	37	70%	0.699	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-74.1	-9.2	176.2	-68.5	-66.8	0	0	0	113.8	W359	W359-H361 PolarHBondContact O-N 3.01Å
362	T	51.9	Low	59.6	Low	36 Å²	36	41.5 Å²	41.5	22%	0.221	21%	0.208	C	C	.	.	S	Bend	trans	-151.3	-23.9	-163.1	38.4	0	0	0	0	120.2	K329 W359 R360	K329-T362 VanDerWaalsContact CD-CB 3.42Å; K329-T362 HydrophobicContact CD-CG2 3.75Å; K329-T362 WeakPolarHBondContact CD-O 3.41Å; K329-T362 WeakPolarHBondContact CE-O 3.3Å; K329-T362 PolarHBondContact NZ-O 3Å; W359-T362 PolarHBondContact O-N 2.72Å; R360-T362 PolarHBondContact O-N 2.8Å
363	P	54.4	Low	58.2	Low	15 Å²	15	44.6 Å²	44.6	10%	0.097	23%	0.227	C	C	.	.			trans	-130.3	149.9	163.2	9.8	12.8	0	0	0	114.1	W359 W365 R396 I398	W359-P363 HydrophobicContact CB-CG 4.46Å; W359-P363 HydrophobicContact CE3-CG 3.89Å; W359-P363 WeakPolarHBondContact O-CD 3.39Å; P363-W365 PolarHBondContact O-N 2.73Å; P363-R396 WeakPolarHBondContact CA-O 3.42Å; P363-R396 HydrophobicContact CB-CB 4.35Å; P363-R396 WeakPolarHBondContact CB-O 3.46Å; P363-I398 HydrophobicContact CB-CG1 4.27Å; P363-I398 HydrophobicContact CG-CD1 4.02Å; P363-I398 HydrophobicContact CG-CG1 4.01Å
364	E	56	Low	57	Low	56 Å²	56	42.1 Å²	42.1	26%	0.262	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	136	163.7	-63	-167.4	165.6	0	0	107.1	S283 R284 F395 R396 L397 I398	S283-E364 WeakPolarHBondContact OG-CA 3.49Å; R284-E364 IonicContact CZ-OE2 3.63Å; R284-E364 IonicContact NE-OE1 2.64Å; R284-E364 IonicContact NE-OE2 3.63Å; R284-E364 PolarHBondContact NE-OE2 3.04Å; R284-E364 IonicContact NH2-OE1 3.47Å; R284-E364 IonicContact NH2-OE2 3.8Å; R284-E364 PolarHBondContact NH2-OE2 3.05Å; E364-F395 HydrophobicContact CG-CD1 4.12Å; E364-F395 WeakPolarHBondContact OE1-CE1 3.18Å; E364-R396 PolarHBondContact N-O 2.87Å; E364-L397 HydrophobicContact CB-CD1 4.48Å; E364-L397 VanDerWaalsContact O-CA 3.31Å; E364-L397 WeakPolarHBondContact O-CA 3.36Å; E364-L397 WeakPolarHBondContact O-CD1 3.47Å; E364-I398 PolarHBondContact O-N 2.95Å; E364-I398 VanDerWaalsContact O-N 3.12Å
365	W	58.6	Low	55.9	Low	9 Å²	9	45.5 Å²	45.5	3%	0.034	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	145	177.3	61.3	-99.6	0	0	0	109.7	E281 S283 C356 P363 I367 I398	E281-W365 HydrophobicContact CB-CH2 3.7Å; E281-W365 HydrophobicContact CB-CZ3 3.69Å; E281-W365 WeakPolarHBondContact O-CZ3 3.09Å; S283-W365 PolarHBondContact N-O 2.81Å; S283-W365 PolarHBondContact OG-N 2.72Å; C356-W365 HydrophobicContact CB-CB 4.4Å; C356-W365 HydrophobicContact CB-CD2 3.69Å; C356-W365 HydrophobicContact CB-CE3 4.2Å; C356-W365 HydrophobicContact CB-CG 3.79Å; C356-W365 HydrophobicContact CB-CZ2 4.36Å; C356-W365 PolarHBondContact O-NE1 3.43Å; P363-W365 PolarHBondContact O-N 2.73Å; W365-I367 HydrophobicContact CE3-CB 4.45Å; W365-I367 HydrophobicContact CE3-CD1 3.93Å; W365-I367 HydrophobicContact CE3-CG1 3.66Å; W365-I367 HydrophobicContact CH2-CD1 3.94Å; W365-I367 HydrophobicContact CZ3-CB 4.08Å; W365-I367 HydrophobicContact CZ3-CD1 3.3Å; W365-I367 HydrophobicContact CZ3-CG1 3.44Å; W365-I367 VanDerWaalsContact CZ3-CG1 3.44Å; W365-I398 WeakPolarHBondContact CA-O 3.29Å; W365-I398 HydrophobicContact CB-CB 4.09Å
366	T	54.5	Low	55.1	Low	19 Å²	19	48.3 Å²	48.3	12%	0.117	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	118.1	176.3	-62	0	0	0	0	108.1	I279 T282 I398 F400	I279-T366 HydrophobicContact CD1-CG2 4.3Å; I279-T366 HydrophobicContact CG1-CG2 4.36Å; I279-T366 HydrophobicContact CG2-CG2 3.78Å; T282-T366 HydrophobicContact CG2-CG2 4.37Å; T366-I398 PolarHBondContact N-O 3.02Å; T366-I398 VanDerWaalsContact N-O 3.15Å; T366-F400 PolarHBondContact O-N 3.26Å
367	I	58.1	Low	54.4	Low	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	114.7	171.8	-71.1	171.7	0	0	0	108.2	E281 K353 W365 F400	E281-I367 PolarHBondContact O-N 2.77Å; K353-I367 HydrophobicContact CB-CD1 4.43Å; K353-I367 HydrophobicContact CD-CD1 4.38Å; K353-I367 HydrophobicContact CG-CD1 3.47Å; K353-I367 VanDerWaalsContact CG-CD1 3.47Å; W365-I367 HydrophobicContact CE3-CB 4.45Å; W365-I367 HydrophobicContact CE3-CD1 3.93Å; W365-I367 HydrophobicContact CE3-CG1 3.66Å; W365-I367 HydrophobicContact CH2-CD1 3.94Å; W365-I367 HydrophobicContact CZ3-CB 4.08Å; W365-I367 HydrophobicContact CZ3-CD1 3.3Å; W365-I367 HydrophobicContact CZ3-CG1 3.44Å; W365-I367 VanDerWaalsContact CZ3-CG1 3.44Å; I367-F400 HydrophobicContact CB-CD1 4.49Å; I367-F400 HydrophobicContact CG1-CB 4.12Å; I367-F400 HydrophobicContact CG1-CD1 4.09Å; I367-F400 HydrophobicContact CG2-CD1 3.93Å
368	C	55.1	Low	53.8	Low	2 Å²	2	47.5 Å²	47.5	1%	0.014	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	123.6	172.2	-73	0	0	0	0	109.3	F371 L399 F400	C368-F371 HydrophobicContact CB-CE1 4.45Å; C368-F371 HydrophobicContact CB-CE2 3.54Å; C368-F371 HydrophobicContact CB-CZ 3.32Å; C368-L399 HydrophobicContact CB-CD1 4.34Å; C368-F400 PolarHBondContact N-O 3.1Å; C368-F400 VanDerWaalsContact O-O 3.09Å
369	T	53.5	Low	53.2	Low	5 Å²	5	51.2 Å²	51.2	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	135	173.7	-39.7	0	0	0	0	109.7	D402	T369-D402 HydrophobicContact CG2-CB 3.73Å
370	K	49	Very low	52.5	Low	126 Å²	126	53.6 Å²	53.6	55%	0.548	26%	0.263	S	S	.	.			trans	70.9	94.8	177.5	-56.4	-175.7	173.4	-171.1	0	114.5	L278	L278-K370 WeakPolarHBondContact CD2-O 3.25Å
371	F	52	Low	52.4	Low	35 Å²	35	46.5 Å²	46.5	15%	0.154	24%	0.239	C	C	.	.			trans	-105.5	125.4	169	-64.3	-66.5	0	0	0	110.5	C368 V377 I401	C368-F371 HydrophobicContact CB-CE1 4.45Å; C368-F371 HydrophobicContact CB-CE2 3.54Å; C368-F371 HydrophobicContact CB-CZ 3.32Å; F371-V377 HydrophobicContact CB-CG2 3.75Å; F371-V377 HydrophobicContact CD1-CB 3.79Å; F371-V377 HydrophobicContact CD1-CG1 4.43Å; F371-V377 HydrophobicContact CD1-CG2 3.12Å; F371-V377 HydrophobicContact CD2-CB 4.32Å; F371-V377 HydrophobicContact CD2-CG1 4.32Å; F371-V377 HydrophobicContact CD2-CG2 3.4Å; F371-V377 VanDerWaalsContact CD2-CG2 3.4Å; F371-V377 HydrophobicContact CE1-CB 3.51Å; F371-V377 HydrophobicContact CE1-CG1 3.8Å; F371-V377 HydrophobicContact CE1-CG2 3.38Å; F371-V377 HydrophobicContact CE2-CB 3.99Å; F371-V377 HydrophobicContact CE2-CG1 3.58Å; F371-V377 HydrophobicContact CE2-CG2 3.56Å; F371-V377 HydrophobicContact CG-CB 4.17Å; F371-V377 HydrophobicContact CG-CG2 3.11Å; F371-V377 HydrophobicContact CZ-CB 3.52Å; F371-V377 HydrophobicContact CZ-CG1 3.24Å; F371-V377 HydrophobicContact CZ-CG2 3.51Å; F371-I401 HydrophobicContact CE2-CG2 4.47Å
372	S	46.8	Very low	52.3	Low	100 Å²	100	41.7 Å²	41.7	70%	0.699	22%	0.217	S	C	*	.	S	Bend	trans	-81.1	-29	167.3	58.6	0	0	0	0	111.5
373	T	48.7	Very low	52.1	Low	64 Å²	64	43.1 Å²	43.1	39%	0.393	23%	0.228	S	C	.	.	S	Bend	trans	-148.3	135.6	-178.8	46.3	0	0	0	0	109.4	H375 Q376	T373-H375 VanDerWaalsContact C-N 3.28Å; T373-H375 PolarHBondContact O-N 3.4Å; T373-Q376 PolarHBondContact O-N 3.48Å; T373-Q376 WeakPolarHBondContact OG1-CG 3.08Å; T373-Q376 PolarHBondContact OG1-NE2 2.93Å
374	G	48.4	Very low	51.7	Low	7 Å²	7	45.3 Å²	45.3	7%	0.072	24%	0.241	C	C	.	.	H	α-helix	trans	-63.1	-30.8	-175.2	0	0	0	0	0	115.8	Q376 V377 C418	G374-Q376 PolarHBondContact O-N 3.46Å; G374-V377 WeakPolarHBondContact O-CB 3.5Å; G374-V377 WeakPolarHBondContact O-CG2 3.04Å; G374-V377 PolarHBondContact O-N 3.44Å; G374-C418 WeakPolarHBondContact CA-SG 3.34Å; G374-C418 PolarHBondContact O-SG 3.2Å
375	H	50.7	Low	51.2	Low	81 Å²	81	43.6 Å²	43.6	38%	0.375	24%	0.235	S	C	.	.	H	α-helix	trans	-59.2	-38	177.2	-68.3	106.7	0	0	0	112.2	T373 V377 L378 E379	T373-H375 VanDerWaalsContact C-N 3.28Å; T373-H375 PolarHBondContact O-N 3.4Å; H375-V377 VanDerWaalsContact C-N 3.28Å; H375-V377 PolarHBondContact O-N 2.89Å; H375-L378 PolarHBondContact O-N 2.88Å; H375-E379 VanDerWaalsContact O-CB 3.31Å; H375-E379 WeakPolarHBondContact O-CB 3.41Å; H375-E379 PolarHBondContact O-N 3.21Å
376	Q	54.5	Low	50.2	Low	63 Å²	63	52.5 Å²	52.5	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-69.6	-25.1	178.2	-65.5	-172.1	48.1	0	0	112.9	T373 G374 K380	T373-Q376 PolarHBondContact O-N 3.48Å; T373-Q376 WeakPolarHBondContact OG1-CG 3.08Å; T373-Q376 PolarHBondContact OG1-NE2 2.93Å; G374-Q376 PolarHBondContact O-N 3.46Å; Q376-K380 WeakPolarHBondContact O-CB 3.36Å; Q376-K380 WeakPolarHBondContact O-CG 3.36Å; Q376-K380 PolarHBondContact O-N 2.72Å
377	V	51.8	Low	49.3	Very low	2 Å²	2	53.6 Å²	53.6	1%	0.012	29%	0.285	C	S	.	.	H	α-helix	trans	-58.1	-55.8	174.2	179.4	0	0	0	0	110.1	F371 G374 H375 A381	F371-V377 HydrophobicContact CB-CG2 3.75Å; F371-V377 HydrophobicContact CD1-CB 3.79Å; F371-V377 HydrophobicContact CD1-CG1 4.43Å; F371-V377 HydrophobicContact CD1-CG2 3.12Å; F371-V377 HydrophobicContact CD2-CB 4.32Å; F371-V377 HydrophobicContact CD2-CG1 4.32Å; F371-V377 HydrophobicContact CD2-CG2 3.4Å; F371-V377 VanDerWaalsContact CD2-CG2 3.4Å; F371-V377 HydrophobicContact CE1-CB 3.51Å; F371-V377 HydrophobicContact CE1-CG1 3.8Å; F371-V377 HydrophobicContact CE1-CG2 3.38Å; F371-V377 HydrophobicContact CE2-CB 3.99Å; F371-V377 HydrophobicContact CE2-CG1 3.58Å; F371-V377 HydrophobicContact CE2-CG2 3.56Å; F371-V377 HydrophobicContact CG-CB 4.17Å; F371-V377 HydrophobicContact CG-CG2 3.11Å; F371-V377 HydrophobicContact CZ-CB 3.52Å; F371-V377 HydrophobicContact CZ-CG1 3.24Å; F371-V377 HydrophobicContact CZ-CG2 3.51Å; G374-V377 WeakPolarHBondContact O-CB 3.5Å; G374-V377 WeakPolarHBondContact O-CG2 3.04Å; G374-V377 PolarHBondContact O-N 3.44Å; H375-V377 VanDerWaalsContact C-N 3.28Å; H375-V377 PolarHBondContact O-N 2.89Å; V377-A381 WeakPolarHBondContact O-CB 3.42Å; V377-A381 PolarHBondContact O-N 2.89Å
378	L	53	Low	48.3	Very low	5 Å²	5	58.9 Å²	58.9	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-75.3	-48.6	-170.4	-71.8	168.8	0	0	0	108.7	H375 K380 A381 F382 L422	H375-L378 PolarHBondContact O-N 2.88Å; L378-K380 PolarHBondContact O-N 2.96Å; L378-A381 PolarHBondContact O-N 3.34Å; L378-F382 VanDerWaalsContact C-CD2 3.47Å; L378-F382 HydrophobicContact CB-CD2 3.81Å; L378-F382 HydrophobicContact CB-CE2 3.79Å; L378-F382 HydrophobicContact CD2-CD2 4.15Å; L378-F382 HydrophobicContact CD2-CE2 3.39Å; L378-F382 HydrophobicContact CD2-CZ 4.08Å; L378-F382 HydrophobicContact CG-CE2 4.15Å; L378-F382 WeakPolarHBondContact O-CB 3.44Å; L378-F382 WeakPolarHBondContact O-CD2 3.35Å; L378-F382 VanDerWaalsContact O-CG 3.28Å; L378-F382 WeakPolarHBondContact O-CG 3.25Å; L378-F382 PolarHBondContact O-N 3.03Å; L378-L422 HydrophobicContact CD1-CB 3.88Å; L378-L422 HydrophobicContact CD1-CD1 3.87Å; L378-L422 HydrophobicContact CD2-CD1 3.2Å; L378-L422 HydrophobicContact CG-CD1 3.9Å
379	E	51.8	Low	47.7	Very low	126 Å²	126	63.6 Å²	63.6	59%	0.589	34%	0.344	S	S	*	.	H	α-helix	trans	-57	-41.1	178.3	-166	178.6	-173.4	0	0	111.6	H375 S383	H375-E379 VanDerWaalsContact O-CB 3.31Å; H375-E379 WeakPolarHBondContact O-CB 3.41Å; H375-E379 PolarHBondContact O-N 3.21Å; E379-S383 WeakPolarHBondContact O-CA 3.32Å; E379-S383 WeakPolarHBondContact O-CB 3.41Å; E379-S383 PolarHBondContact O-N 3.32Å; E379-S383 PolarHBondContact O-OG 2.79Å
380	K	49.3	Very low	46.9	Very low	58 Å²	58	70 Å²	70	25%	0.252	37%	0.373	S	S	.	.	H	α-helix	trans	-77.8	-44.1	179.5	-69	172.4	177.3	163.1	0	112.9	L278 Q376 L378 F382 S383 T384	L278-K380 HydrophobicContact CB-CD 4.47Å; L278-K380 HydrophobicContact CD1-CD 3.31Å; Q376-K380 WeakPolarHBondContact O-CB 3.36Å; Q376-K380 WeakPolarHBondContact O-CG 3.36Å; Q376-K380 PolarHBondContact O-N 2.72Å; L378-K380 PolarHBondContact O-N 2.96Å; K380-F382 VanDerWaalsContact C-N 3.26Å; K380-F382 PolarHBondContact O-N 2.77Å; K380-S383 VanDerWaalsContact CA-OG 3.31Å; K380-S383 WeakPolarHBondContact CA-OG 3Å; K380-S383 PolarHBondContact O-N 2.86Å; K380-S383 VanDerWaalsContact O-N 3.16Å; K380-S383 PolarHBondContact O-OG 2.96Å; K380-S383 VanDerWaalsContact O-OG 3.05Å; K380-T384 PolarHBondContact O-N 3.48Å; K380-T384 PolarHBondContact O-OG1 3.17Å
381	A	50.5	Low	46.4	Very low	17 Å²	17	65.8 Å²	65.8	14%	0.14	36%	0.358	C	S	.	.	H	α-helix	trans	-58.9	-39	174.2	0	0	0	0	0	111.8	V377 L378	V377-A381 WeakPolarHBondContact O-CB 3.42Å; V377-A381 PolarHBondContact O-N 2.89Å; L378-A381 PolarHBondContact O-N 3.34Å
382	F	49.2	Very low	45.9	Very low	50 Å²	50	66.1 Å²	66.1	22%	0.219	36%	0.36	C	S	.	.	H	α-helix	trans	-77.8	-29.9	175	-67.7	-61.2	0	0	0	113.1	L378 K380 S385 F392 R425 L429	L378-F382 VanDerWaalsContact C-CD2 3.47Å; L378-F382 HydrophobicContact CB-CD2 3.81Å; L378-F382 HydrophobicContact CB-CE2 3.79Å; L378-F382 HydrophobicContact CD2-CD2 4.15Å; L378-F382 HydrophobicContact CD2-CE2 3.39Å; L378-F382 HydrophobicContact CD2-CZ 4.08Å; L378-F382 HydrophobicContact CG-CE2 4.15Å; L378-F382 WeakPolarHBondContact O-CB 3.44Å; L378-F382 WeakPolarHBondContact O-CD2 3.35Å; L378-F382 VanDerWaalsContact O-CG 3.28Å; L378-F382 WeakPolarHBondContact O-CG 3.25Å; L378-F382 PolarHBondContact O-N 3.03Å; K380-F382 VanDerWaalsContact C-N 3.26Å; K380-F382 PolarHBondContact O-N 2.77Å; F382-S385 PolarHBondContact O-OG 3.34Å; F382-F392 HydrophobicContact CB-CZ 4.13Å; F382-F392 HydrophobicContact CD1-CD1 4.2Å; F382-F392 AromaticContact CD1-CE1 3.49Å; F382-F392 HydrophobicContact CD1-CE1 3.49Å; F382-F392 VanDerWaalsContact CD1-CE1 3.49Å; F382-F392 HydrophobicContact CD1-CE2 4.45Å; F382-F392 AromaticContact CD1-CZ 3.58Å; F382-F392 HydrophobicContact CD1-CZ 3.58Å; F382-F392 HydrophobicContact CE1-CD1 4.42Å; F382-F392 HydrophobicContact CE1-CE1 4.12Å; F382-F392 HydrophobicContact CG-CZ 4.35Å; F382-R425 HydrophobicContact CE2-CB 4.32Å; F382-R425 HydrophobicContact CZ-CB 4.34Å; F382-L429 HydrophobicContact CE1-CD1 3.84Å; F382-L429 HydrophobicContact CZ-CD1 4.14Å
383	S	47.6	Very low	45.7	Very low	66 Å²	66	66.9 Å²	66.9	46%	0.462	36%	0.355	S	S	.	.	H	α-helix	trans	-79.2	-21.5	177.4	70.2	0	0	0	0	113.7	E379 K380 S385 E386	E379-S383 WeakPolarHBondContact O-CA 3.32Å; E379-S383 WeakPolarHBondContact O-CB 3.41Å; E379-S383 PolarHBondContact O-N 3.32Å; E379-S383 PolarHBondContact O-OG 2.79Å; K380-S383 VanDerWaalsContact CA-OG 3.31Å; K380-S383 WeakPolarHBondContact CA-OG 3Å; K380-S383 PolarHBondContact O-N 2.86Å; K380-S383 VanDerWaalsContact O-N 3.16Å; K380-S383 PolarHBondContact O-OG 2.96Å; K380-S383 VanDerWaalsContact O-OG 3.05Å; S383-S385 CarbonylContact O-C 3.35Å; S383-S385 PolarHBondContact O-N 3.45Å; S383-E386 PolarHBondContact O-N 3.17Å
384	T	47	Very low	45.4	Very low	61 Å²	61	69.1 Å²	69.1	37%	0.374	37%	0.369	S	S	.	.	S	Bend	trans	-71	-21.8	178.4	-41.2	0	0	0	0	111.2	I279 K380 E386	I279-T384 HydrophobicContact CD1-CG2 3.86Å; I279-T384 WeakPolarHBondContact CD1-OG1 3.44Å; K380-T384 PolarHBondContact O-N 3.48Å; K380-T384 PolarHBondContact O-OG1 3.17Å; T384-E386 PolarHBondContact O-N 2.94Å
385	S	44.1	Very low	45.5	Very low	19 Å²	19	72.8 Å²	72.8	13%	0.133	38%	0.383	C	S	.	.			trans	-84.6	91.8	151.4	41.8	0	0	0	0	108.4	F382 S383 C387 F392	F382-S385 PolarHBondContact O-OG 3.34Å; S383-S385 CarbonylContact O-C 3.35Å; S383-S385 PolarHBondContact O-N 3.45Å; S385-C387 PolarHBondContact O-N 3.43Å; S385-F392 WeakPolarHBondContact OG-CE1 3.21Å; S385-F392 WeakPolarHBondContact OG-CZ 3.39Å
386	E	39	Very low	45.9	Very low	196 Å²	196	71.3 Å²	71.3	92%	0.916	37%	0.374	S	S	*	.			trans	-61.7	16.3	155.7	-69.5	-179.5	156	0	0	112.2	S383 T384	S383-E386 PolarHBondContact O-N 3.17Å; T384-E386 PolarHBondContact O-N 2.94Å
387	C	35.2	Very low	46.4	Very low	42 Å²	42	70.4 Å²	70.4	28%	0.284	37%	0.371	S	S	.	.	S	Bend	trans	-95.3	137.6	-177.7	-49.7	0	0	0	0	107.3	S385 V391	S385-C387 PolarHBondContact O-N 3.43Å; C387-V391 HydrophobicContact CB-CB 3.58Å; C387-V391 HydrophobicContact CB-CG1 3.47Å; C387-V391 VanDerWaalsContact CB-CG1 3.47Å; C387-V391 HydrophobicContact CB-CG2 3.87Å
388	D	36.5	Very low	47.3	Very low	111 Å²	111	70.4 Å²	70.4	59%	0.594	37%	0.371	S	S	*	.			trans	-37.3	147.2	177.8	-74.4	-55.8	0	0	0	112.9	H390 V391	D388-H390 HydrophobicContact CB-CB 4.26Å; D388-H390 PolarHBondContact O-N 3.41Å; D388-V391 HydrophobicContact CB-CG2 4.16Å; D388-V391 WeakPolarHBondContact O-CB 3.4Å; D388-V391 PolarHBondContact O-N 2.89Å
389	P	42.4	Very low	48.3	Very low	102 Å²	102	70.7 Å²	70.7	66%	0.662	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-20.2	171.5	19.5	-30.9	0	0	0	113.2
390	H	38	Very low	49.7	Very low	138 Å²	138	64.7 Å²	64.7	64%	0.639	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-23.1	173.8	-65.7	-70.3	0	0	0	115.2	D388 L393	D388-H390 HydrophobicContact CB-CB 4.26Å; D388-H390 PolarHBondContact O-N 3.41Å; H390-L393 WeakPolarHBondContact O-CB 3.35Å; H390-L393 PolarHBondContact O-N 3.12Å
391	V	38.6	Very low	51.2	Low	38 Å²	38	62.1 Å²	62.1	23%	0.23	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-77.9	-23.4	-176.6	173.4	0	0	0	0	112	C387 D388 L393 T394 F395	C387-V391 HydrophobicContact CB-CB 3.58Å; C387-V391 HydrophobicContact CB-CG1 3.47Å; C387-V391 VanDerWaalsContact CB-CG1 3.47Å; C387-V391 HydrophobicContact CB-CG2 3.87Å; D388-V391 HydrophobicContact CB-CG2 4.16Å; D388-V391 WeakPolarHBondContact O-CB 3.4Å; D388-V391 PolarHBondContact O-N 2.89Å; V391-L393 PolarHBondContact O-N 2.94Å; V391-T394 PolarHBondContact O-N 3.3Å; V391-T394 PolarHBondContact O-OG1 2.98Å; V391-F395 HydrophobicContact CG1-CD2 3.34Å; V391-F395 HydrophobicContact CG1-CE2 3.15Å; V391-F395 HydrophobicContact CG1-CZ 4.44Å; V391-F395 VanDerWaalsContact O-CD2 3.3Å; V391-F395 WeakPolarHBondContact O-CD2 3.21Å; V391-F395 PolarHBondContact O-N 3.29Å
392	F	41.6	Very low	52.8	Low	42 Å²	42	62.2 Å²	62.2	18%	0.184	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-64	-20.1	171.6	-67.2	-83	0	0	0	114.1	F382 S385 T394 L429	F382-F392 HydrophobicContact CB-CZ 4.13Å; F382-F392 HydrophobicContact CD1-CD1 4.2Å; F382-F392 AromaticContact CD1-CE1 3.49Å; F382-F392 HydrophobicContact CD1-CE1 3.49Å; F382-F392 VanDerWaalsContact CD1-CE1 3.49Å; F382-F392 HydrophobicContact CD1-CE2 4.45Å; F382-F392 AromaticContact CD1-CZ 3.58Å; F382-F392 HydrophobicContact CD1-CZ 3.58Å; F382-F392 HydrophobicContact CE1-CD1 4.42Å; F382-F392 HydrophobicContact CE1-CE1 4.12Å; F382-F392 HydrophobicContact CG-CZ 4.35Å; S385-F392 WeakPolarHBondContact OG-CE1 3.21Å; S385-F392 WeakPolarHBondContact OG-CZ 3.39Å; F392-T394 PolarHBondContact O-N 3.23Å; F392-L429 HydrophobicContact CB-CD2 4.18Å
393	L	41.6	Very low	54.4	Low	117 Å²	117	64.2 Å²	64.2	61%	0.613	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-73.4	-18.8	174.9	-66.4	166.3	0	0	0	111.9	H390 V391	H390-L393 WeakPolarHBondContact O-CB 3.35Å; H390-L393 PolarHBondContact O-N 3.12Å; V391-L393 PolarHBondContact O-N 2.94Å
394	T	43	Very low	55.9	Low	111 Å²	111	61 Å²	61	68%	0.681	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-30.5	-174.9	-24.5	0	0	0	0	112.5	V391 F392	V391-T394 PolarHBondContact O-N 3.3Å; V391-T394 PolarHBondContact O-OG1 2.98Å; F392-T394 PolarHBondContact O-N 3.23Å
395	F	49	Very low	57.4	Low	84 Å²	84	59 Å²	59	37%	0.368	31%	0.306	S	S	.	.			trans	-93.7	127.1	-174.6	-70.1	-66.9	0	0	0	112.6	E364 V391	E364-F395 HydrophobicContact CG-CD1 4.12Å; E364-F395 WeakPolarHBondContact OE1-CE1 3.18Å; V391-F395 HydrophobicContact CG1-CD2 3.34Å; V391-F395 HydrophobicContact CG1-CE2 3.15Å; V391-F395 HydrophobicContact CG1-CZ 4.44Å; V391-F395 VanDerWaalsContact O-CD2 3.3Å; V391-F395 WeakPolarHBondContact O-CD2 3.21Å; V391-F395 PolarHBondContact O-N 3.29Å
396	R	59.3	Low	58.8	Low	49 Å²	49	61.3 Å²	61.3	19%	0.185	33%	0.327	C	S	.	.			trans	-90.7	112.6	172.9	-69.7	171.8	160.7	170.5	2.1	108.6	K329 R332 F335 P363 E364 S432	K329-R396 VanDerWaalsContact CG-NH1 3.33Å; K329-R396 PolarHBondContact O-NH1 3.35Å; R332-R396 VanDerWaalsContact CB-NH2 3.27Å; F335-R396 HydrophobicContact CE2-CB 3.85Å; F335-R396 VanDerWaalsContact CE2-CD 3.46Å; F335-R396 HydrophobicContact CE2-CG 3.59Å; F335-R396 HydrophobicContact CZ-CB 3.92Å; F335-R396 HydrophobicContact CZ-CG 4.02Å; P363-R396 WeakPolarHBondContact CA-O 3.42Å; P363-R396 HydrophobicContact CB-CB 4.35Å; P363-R396 WeakPolarHBondContact CB-O 3.46Å; E364-R396 PolarHBondContact N-O 2.87Å; R396-S432 WeakPolarHBondContact CA-O 3.39Å
397	L	64.8	Low	60.2	Low	45 Å²	45	52.9 Å²	52.9	24%	0.236	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.4	-170	-178.6	68.8	0	0	0	110.7	E364 S432 F433 S434	E364-L397 HydrophobicContact CB-CD1 4.48Å; E364-L397 VanDerWaalsContact O-CA 3.31Å; E364-L397 WeakPolarHBondContact O-CA 3.36Å; E364-L397 WeakPolarHBondContact O-CD1 3.47Å; L397-S432 PolarHBondContact N-O 3.49Å; L397-F433 HydrophobicContact CB-CB 4.32Å; L397-F433 CarbonylContact O-C 3.56Å; L397-F433 WeakPolarHBondContact O-CA 3.35Å; L397-F433 WeakPolarHBondContact O-CB 3.47Å; L397-S434 PolarHBondContact O-N 3.24Å
398	I	71.3	Confident	61.8	Low	1 Å²	1	51.6 Å²	51.6	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120	161.5	-47.9	172	0	0	0	108.3	W359 P363 E364 W365 T366 S434 V436	W359-I398 HydrophobicContact CB-CD1 3.92Å; W359-I398 HydrophobicContact CD2-CD1 3.55Å; W359-I398 HydrophobicContact CE3-CD1 3.09Å; W359-I398 HydrophobicContact CE3-CG1 3.86Å; W359-I398 HydrophobicContact CG-CD1 3.96Å; W359-I398 HydrophobicContact CH2-CD1 4.31Å; W359-I398 HydrophobicContact CZ3-CD1 3.46Å; W359-I398 VanDerWaalsContact CZ3-CD1 3.46Å; W359-I398 HydrophobicContact CZ3-CG1 3.83Å; P363-I398 HydrophobicContact CB-CG1 4.27Å; P363-I398 HydrophobicContact CG-CD1 4.02Å; P363-I398 HydrophobicContact CG-CG1 4.01Å; E364-I398 PolarHBondContact O-N 2.95Å; E364-I398 VanDerWaalsContact O-N 3.12Å; W365-I398 WeakPolarHBondContact CA-O 3.29Å; W365-I398 HydrophobicContact CB-CB 4.09Å; T366-I398 PolarHBondContact N-O 3.02Å; T366-I398 VanDerWaalsContact N-O 3.15Å; I398-S434 CarbonylContact C-O 3.57Å; I398-S434 WeakPolarHBondContact CA-O 3.43Å; I398-V436 HydrophobicContact CG2-CG2 3.83Å
399	L	75.2	Confident	63.1	Low	11 Å²	11	52.5 Å²	52.5	6%	0.058	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	111	173.7	-178.9	64.1	0	0	0	109.4	C368 I401 S434 M435 V436	C368-L399 HydrophobicContact CB-CD1 4.34Å; L399-I401 HydrophobicContact CD2-CD1 4.07Å; L399-I401 HydrophobicContact CD2-CG1 4.3Å; L399-I401 HydrophobicContact CG-CD1 4.39Å; L399-I401 HydrophobicContact CG-CG1 4.07Å; L399-S434 PolarHBondContact N-O 3.31Å; L399-M435 HydrophobicContact CD2-CE 4.49Å; L399-M435 WeakPolarHBondContact O-CA 3.45Å; L399-V436 PolarHBondContact O-N 2.78Å
400	F	80.4	Confident	63.9	Low	1 Å²	1	54.8 Å²	54.8	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.6	173.1	179.9	-113.4	0	0	0	110.6	T349 A352 T366 I367 C368 D402 V436 A438	T349-F400 HydrophobicContact CG2-CE1 3.96Å; T349-F400 HydrophobicContact CG2-CZ 4.3Å; A352-F400 HydrophobicContact CB-CD1 4.18Å; A352-F400 HydrophobicContact CB-CD2 3.38Å; A352-F400 HydrophobicContact CB-CE1 3.91Å; A352-F400 HydrophobicContact CB-CE2 3.07Å; A352-F400 HydrophobicContact CB-CG 3.95Å; A352-F400 HydrophobicContact CB-CZ 3.38Å; T366-F400 PolarHBondContact O-N 3.26Å; I367-F400 HydrophobicContact CB-CD1 4.49Å; I367-F400 HydrophobicContact CG1-CB 4.12Å; I367-F400 HydrophobicContact CG1-CD1 4.09Å; I367-F400 HydrophobicContact CG2-CD1 3.93Å; C368-F400 PolarHBondContact N-O 3.1Å; C368-F400 VanDerWaalsContact O-O 3.09Å; F400-D402 HydrophobicContact CE1-CB 3.69Å; F400-D402 HydrophobicContact CZ-CB 4Å; F400-V436 WeakPolarHBondContact CA-O 3.34Å; F400-V436 HydrophobicContact CD2-CB 3.88Å; F400-V436 HydrophobicContact CD2-CG1 3.69Å; F400-V436 WeakPolarHBondContact CD2-O 3.48Å; F400-V436 HydrophobicContact CE2-CG1 4.07Å; F400-A438 HydrophobicContact CE2-CB 3.79Å; F400-A438 HydrophobicContact CZ-CB 3.75Å
401	I	80.3	Confident	64.6	Low	3 Å²	3	55.1 Å²	55.1	2%	0.015	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	105.9	177	-53.7	-178.6	0	0	0	108.3	F371 L399 A404 M435 V436 L437 A438	F371-I401 HydrophobicContact CE2-CG2 4.47Å; L399-I401 HydrophobicContact CD2-CD1 4.07Å; L399-I401 HydrophobicContact CD2-CG1 4.3Å; L399-I401 HydrophobicContact CG-CD1 4.39Å; L399-I401 HydrophobicContact CG-CG1 4.07Å; I401-A404 HydrophobicContact CG2-CB 4.1Å; I401-M435 HydrophobicContact CD1-CG 4.45Å; I401-M435 HydrophobicContact CD1-SD 4.11Å; I401-V436 PolarHBondContact N-O 3.04Å; I401-L437 HydrophobicContact CB-CD2 3.7Å; I401-L437 HydrophobicContact CD1-CD2 3.77Å; I401-L437 HydrophobicContact CG1-CD2 4.03Å; I401-L437 HydrophobicContact CG2-CD2 4.36Å; I401-A438 PolarHBondContact O-N 3.31Å
402	D	84.1	Confident	65	Low	19 Å²	19	58.9 Å²	58.9	10%	0.102	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	146.6	174	-159.4	27.1	0	0	0	110.8	T349 T369 F400 A404	T349-D402 HydrophobicContact CG2-CB 4.49Å; T349-D402 WeakPolarHBondContact CG2-OD2 3.27Å; T349-D402 PolarHBondContact OG1-OD1 3.35Å; T349-D402 PolarHBondContact OG1-OD2 3.47Å; T369-D402 HydrophobicContact CG2-CB 3.73Å; F400-D402 HydrophobicContact CE1-CB 3.69Å; F400-D402 HydrophobicContact CZ-CB 4Å; D402-A404 VanDerWaalsContact C-N 3.32Å; D402-A404 PolarHBondContact O-N 3.01Å
403	E	82.3	Confident	65.3	Low	92 Å²	92	63.2 Å²	63.2	43%	0.43	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	46.6	-176.3	-60.3	176.8	171.4	0	0	112.3	D405 A406 A438	E403-D405 WeakPolarHBondContact CA-OD1 3.4Å; E403-D405 PolarHBondContact O-N 3.01Å; E403-A406 WeakPolarHBondContact O-CB 3.31Å; E403-A406 PolarHBondContact O-N 3.4Å; E403-A406 VanDerWaalsContact O-N 3.08Å; E403-A438 PolarHBondContact N-O 2.64Å; E403-A438 VanDerWaalsContact N-O 3.14Å
404	A	80.6	Confident	65.2	Low	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.2	-23.3	-176.9	0	0	0	0	0	113	I401 D402 A406 F407 L408 L437 A438 F445	I401-A404 HydrophobicContact CG2-CB 4.1Å; D402-A404 VanDerWaalsContact C-N 3.32Å; D402-A404 PolarHBondContact O-N 3.01Å; A404-A406 VanDerWaalsContact C-N 3.31Å; A404-A406 PolarHBondContact O-N 3.39Å; A404-F407 PolarHBondContact O-N 3.06Å; A404-F407 VanDerWaalsContact O-N 3.15Å; A404-L408 HydrophobicContact CB-CD1 4.23Å; A404-L408 VanDerWaalsContact O-CB 3.32Å; A404-L408 WeakPolarHBondContact O-CB 3.48Å; A404-L408 WeakPolarHBondContact O-CG 3.42Å; A404-L408 PolarHBondContact O-N 3.01Å; A404-L437 HydrophobicContact CB-CB 4.04Å; A404-L437 HydrophobicContact CB-CD2 4.1Å; A404-L437 HydrophobicContact CB-CG 4.47Å; A404-A438 PolarHBondContact N-O 3.16Å; A404-F445 HydrophobicContact CB-CE1 4.23Å; A404-F445 HydrophobicContact CB-CZ 3.84Å
405	D	78.7	Confident	64.9	Low	18 Å²	18	62.8 Å²	62.8	10%	0.096	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-35.8	171.7	46.5	-7.3	0	0	0	112.9	E403 F407 R409 S439 N440 F445	E403-D405 WeakPolarHBondContact CA-OD1 3.4Å; E403-D405 PolarHBondContact O-N 3.01Å; D405-F407 PolarHBondContact O-N 3.37Å; D405-R409 WeakPolarHBondContact O-CB 3.48Å; D405-R409 PolarHBondContact O-N 3.05Å; D405-S439 WeakPolarHBondContact CB-OG 3.32Å; D405-N440 PolarHBondContact OD2-N 3.02Å; D405-F445 HydrophobicContact CB-CE1 4.35Å
406	A	72.9	Confident	64.5	Low	68 Å²	68	62 Å²	62	56%	0.562	32%	0.318	S	S	*	.	H	α-helix	trans	-63.9	-29.8	175.5	0	0	0	0	0	112.4	E403 A404	E403-A406 WeakPolarHBondContact O-CB 3.31Å; E403-A406 PolarHBondContact O-N 3.4Å; E403-A406 VanDerWaalsContact O-N 3.08Å; A404-A406 VanDerWaalsContact C-N 3.31Å; A404-A406 PolarHBondContact O-N 3.39Å
407	F	67.6	Low	64	Low	19 Å²	19	64.9 Å²	64.9	8%	0.083	33%	0.333	C	S	.	.	H	α-helix	trans	-95.8	-37.1	-174.9	175.3	-119.5	0	0	0	113.4	A404 D405 C418	A404-F407 PolarHBondContact O-N 3.06Å; A404-F407 VanDerWaalsContact O-N 3.15Å; D405-F407 PolarHBondContact O-N 3.37Å; F407-C418 HydrophobicContact CE2-CB 3.69Å; F407-C418 HydrophobicContact CZ-CB 3.55Å; F407-C418 WeakPolarHBondContact CZ-SG 3.2Å
408	L	68.5	Low	63.3	Low	15 Å²	15	62.9 Å²	62.9	8%	0.079	32%	0.323	C	S	.	.	H	α-helix	trans	-104	12.9	-171.2	-58.9	177.7	0	0	0	113.7	A404 K410 F419 L437 F445 V449	A404-L408 HydrophobicContact CB-CD1 4.23Å; A404-L408 VanDerWaalsContact O-CB 3.32Å; A404-L408 WeakPolarHBondContact O-CB 3.48Å; A404-L408 WeakPolarHBondContact O-CG 3.42Å; A404-L408 PolarHBondContact O-N 3.01Å; L408-K410 PolarHBondContact O-N 3Å; L408-F419 HydrophobicContact CD1-CE2 4.19Å; L408-F419 HydrophobicContact CD2-CD2 3.31Å; L408-F419 HydrophobicContact CD2-CE2 3.47Å; L408-F419 VanDerWaalsContact CD2-CE2 3.47Å; L408-F419 HydrophobicContact CD2-CG 4.46Å; L408-F419 HydrophobicContact CG-CE2 4.48Å; L408-L437 HydrophobicContact CD1-CD1 3.75Å; L408-F445 HydrophobicContact CB-CD1 3.67Å; L408-F445 HydrophobicContact CB-CE1 3.7Å; L408-F445 HydrophobicContact CD1-CD1 4.44Å; L408-F445 HydrophobicContact CD1-CE1 4.03Å; L408-F445 HydrophobicContact CD1-CZ 4.28Å; L408-F445 HydrophobicContact CG-CE1 4.38Å; L408-V449 HydrophobicContact CD1-CG1 3.79Å
409	R	65.2	Low	62.3	Low	129 Å²	129	64.5 Å²	64.5	49%	0.487	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-59.1	134.8	178.8	-162.5	174.9	-157	-138.5	-0.4	111.7	D405 R411 Q444	D405-R409 WeakPolarHBondContact O-CB 3.48Å; D405-R409 PolarHBondContact O-N 3.05Å; R409-R411 VanDerWaalsContact C-N 3.35Å; R409-R411 PolarHBondContact O-N 2.84Å; R409-Q444 HydrophobicContact CG-CB 4.39Å
410	K	58.4	Low	61	Low	151 Å²	151	67.8 Å²	67.8	66%	0.657	35%	0.352	S	S	*	.			trans	-62	86.1	169.1	-162	172.6	-171.2	171.6	0	111	L408 Q444	L408-K410 PolarHBondContact O-N 3Å; K410-Q444 PolarHBondContact N-O 3.15Å; K410-Q444 VanDerWaalsContact N-O 3.1Å
411	R	53.5	Low	59.6	Low	144 Å²	144	70.4 Å²	70.4	54%	0.543	37%	0.366	S	S	.	.			trans	-86.5	108	173.4	-72.2	-166.5	-169.7	172.7	0.9	109.6	R409 T413 S414 I416	R409-R411 VanDerWaalsContact C-N 3.35Å; R409-R411 PolarHBondContact O-N 2.84Å; R411-T413 PolarHBondContact O-N 3.1Å; R411-T413 VanDerWaalsContact O-N 3.15Å; R411-S414 VanDerWaalsContact CD-OG 3.3Å; R411-S414 WeakPolarHBondContact CD-OG 3.25Å; R411-I416 HydrophobicContact CB-CD1 4.37Å; R411-I416 HydrophobicContact CG-CD1 4.12Å
412	S	47.5	Very low	58.2	Low	117 Å²	117	70.6 Å²	70.6	82%	0.818	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-2.5	175.3	47.4	0	0	0	0	114.8
413	T	47	Very low	56.7	Low	133 Å²	133	73 Å²	73	82%	0.816	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.1	9.3	-168	39	0	0	0	0	116.7	R411	R411-T413 PolarHBondContact O-N 3.1Å; R411-T413 VanDerWaalsContact O-N 3.15Å
414	S	39.6	Very low	55.1	Low	55 Å²	55	78.3 Å²	78.3	39%	0.385	39%	0.393	S	S	.	.	S	Bend	trans	-148.2	122.1	173.1	36.6	0	0	0	0	111.8	R411 I416	R411-S414 VanDerWaalsContact CD-OG 3.3Å; R411-S414 WeakPolarHBondContact CD-OG 3.25Å; S414-I416 PolarHBondContact O-N 3.48Å
415	H	36	Very low	53.7	Low	164 Å²	164	84.5 Å²	84.5	76%	0.759	42%	0.417	S	S	*	.			trans	-44.8	104.1	179.3	-78.1	-103.7	0	0	0	112.3
416	I	42.4	Very low	52.3	Low	68 Å²	68	84.2 Å²	84.2	35%	0.349	42%	0.416	S	S	.	.			trans	-106	88.3	162.1	-59	171.4	0	0	0	106.5	R411 S414 C418	R411-I416 HydrophobicContact CB-CD1 4.37Å; R411-I416 HydrophobicContact CG-CD1 4.12Å; S414-I416 PolarHBondContact O-N 3.48Å; I416-C418 HydrophobicContact CG2-CB 3.72Å; I416-C418 PolarHBondContact O-N 3.3Å
417	E	46.8	Very low	51	Low	110 Å²	110	83.1 Å²	83.1	51%	0.514	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	1.3	170	-63	-172.6	155.9	0	0	113.1	P420 L421	E417-P420 WeakPolarHBondContact O-CD 3.32Å; E417-L421 HydrophobicContact CB-CD1 4.06Å; E417-L421 WeakPolarHBondContact O-CB 3.17Å; E417-L421 PolarHBondContact O-N 2.95Å
418	C	50.1	Low	49.9	Very low	3 Å²	3	88.9 Å²	88.9	2%	0.02	43%	0.434	C	S	.	.	H	α-helix	trans	-78.9	-30.3	-166.2	-156.6	0	0	0	0	114.6	G374 F407 I416 L422	G374-C418 WeakPolarHBondContact CA-SG 3.34Å; G374-C418 PolarHBondContact O-SG 3.2Å; F407-C418 HydrophobicContact CE2-CB 3.69Å; F407-C418 HydrophobicContact CZ-CB 3.55Å; F407-C418 WeakPolarHBondContact CZ-SG 3.2Å; I416-C418 HydrophobicContact CG2-CB 3.72Å; I416-C418 PolarHBondContact O-N 3.3Å; C418-L422 WeakPolarHBondContact O-CB 3.28Å; C418-L422 PolarHBondContact O-N 3.43Å
419	F	51.3	Low	49.1	Very low	34 Å²	34	89.6 Å²	89.6	15%	0.149	44%	0.438	C	S	.	.	H	α-helix	trans	-72.6	-39.4	175.3	-140.7	-110.9	0	0	0	112.3	L408 L422 H423 V449	L408-F419 HydrophobicContact CD1-CE2 4.19Å; L408-F419 HydrophobicContact CD2-CD2 3.31Å; L408-F419 HydrophobicContact CD2-CE2 3.47Å; L408-F419 VanDerWaalsContact CD2-CE2 3.47Å; L408-F419 HydrophobicContact CD2-CG 4.46Å; L408-F419 HydrophobicContact CG-CE2 4.48Å; F419-L422 HydrophobicContact CD2-CD2 4.02Å; F419-L422 HydrophobicContact CE2-CD2 3.87Å; F419-H423 WeakPolarHBondContact O-CA 3.2Å; F419-H423 WeakPolarHBondContact O-CB 3.4Å; F419-H423 PolarHBondContact O-N 3.33Å; F419-V449 HydrophobicContact CD1-CG2 3.91Å; F419-V449 HydrophobicContact CD2-CG2 4.05Å; F419-V449 HydrophobicContact CE1-CB 3.99Å; F419-V449 HydrophobicContact CE1-CG1 4.42Å; F419-V449 HydrophobicContact CE1-CG2 3.56Å; F419-V449 HydrophobicContact CE2-CB 4.35Å; F419-V449 HydrophobicContact CE2-CG1 4.09Å; F419-V449 HydrophobicContact CE2-CG2 3.73Å; F419-V449 HydrophobicContact CG-CG2 4.16Å; F419-V449 HydrophobicContact CZ-CB 3.78Å; F419-V449 HydrophobicContact CZ-CG1 3.71Å; F419-V449 HydrophobicContact CZ-CG2 3.51Å
420	P	48.9	Very low	48.4	Very low	81 Å²	81	87.6 Å²	87.6	53%	0.526	44%	0.436	S	S	.	.	H	α-helix	trans	-61.9	-39.8	169.2	-25.6	34.3	0	0	0	113.7	E417 H423 R424	E417-P420 WeakPolarHBondContact O-CD 3.32Å; P420-H423 PolarHBondContact O-N 3.21Å; P420-R424 WeakPolarHBondContact O-CB 3.28Å; P420-R424 PolarHBondContact O-N 3.16Å
421	L	49.1	Very low	48.2	Very low	55 Å²	55	82 Å²	82	29%	0.288	42%	0.421	S	S	.	.	H	α-helix	trans	-71.9	-41.1	176.6	-103.8	116.9	0	0	0	113.1	E417 H423 R424 R425	E417-L421 HydrophobicContact CB-CD1 4.06Å; E417-L421 WeakPolarHBondContact O-CB 3.17Å; E417-L421 PolarHBondContact O-N 2.95Å; L421-H423 VanDerWaalsContact C-N 3.32Å; L421-R424 PolarHBondContact O-N 3.06Å; L421-R425 WeakPolarHBondContact O-CB 3.3Å; L421-R425 PolarHBondContact O-N 3.44Å
422	L	52.6	Low	48.5	Very low	7 Å²	7	76.3 Å²	76.3	4%	0.037	40%	0.403	C	S	.	.	H	α-helix	trans	-57.6	-50.1	170.4	-176.6	65.8	0	0	0	108.7	L378 C418 F419 R425 C426 M435	L378-L422 HydrophobicContact CD1-CB 3.88Å; L378-L422 HydrophobicContact CD1-CD1 3.87Å; L378-L422 HydrophobicContact CD2-CD1 3.2Å; L378-L422 HydrophobicContact CG-CD1 3.9Å; C418-L422 WeakPolarHBondContact O-CB 3.28Å; C418-L422 PolarHBondContact O-N 3.43Å; F419-L422 HydrophobicContact CD2-CD2 4.02Å; F419-L422 HydrophobicContact CE2-CD2 3.87Å; L422-R425 PolarHBondContact O-N 3.27Å; L422-C426 VanDerWaalsContact CD1-SG 3.56Å; L422-C426 WeakPolarHBondContact O-CA 3.5Å; L422-C426 WeakPolarHBondContact O-CB 3.46Å; L422-C426 PolarHBondContact O-N 3.36Å; L422-C426 PolarHBondContact O-SG 3.07Å; L422-M435 HydrophobicContact CD1-CE 4.36Å; L422-M435 HydrophobicContact CD2-CE 4.11Å; L422-M435 HydrophobicContact CG-CE 4.43Å
423	H	51.4	Low	49.5	Very low	71 Å²	71	71.8 Å²	71.8	33%	0.329	37%	0.369	S	S	.	.	H	α-helix	trans	-61.4	-47	177.4	-168.6	57.8	0	0	0	112.9	F419 P420 L421 R425 C426 C427 R452	F419-H423 WeakPolarHBondContact O-CA 3.2Å; F419-H423 WeakPolarHBondContact O-CB 3.4Å; F419-H423 PolarHBondContact O-N 3.33Å; P420-H423 PolarHBondContact O-N 3.21Å; L421-H423 VanDerWaalsContact C-N 3.32Å; H423-R425 VanDerWaalsContact C-N 3.29Å; H423-R425 PolarHBondContact O-N 2.93Å; H423-C426 PolarHBondContact O-N 3.48Å; H423-C427 PolarHBondContact CE1-SG 3.22Å; H423-C427 PolarHBondContact ND1-SG 3.39Å; H423-C427 PolarHBondContact NE2-SG 3.14Å; H423-C427 VanDerWaalsContact NE2-SG 3.41Å; H423-C427 WeakPolarHBondContact O-CA 3.32Å; H423-C427 WeakPolarHBondContact O-CB 3.49Å; H423-C427 PolarHBondContact O-N 3.24Å; H423-C427 PolarHBondContact O-SG 3.04Å; H423-R452 PolarHBondContact CD2-NH2 3.15Å; H423-R452 PolarHBondContact CE1-NE 3.29Å; H423-R452 PolarHBondContact CE1-NH2 3.28Å; H423-R452 VanDerWaalsContact CG-NH1 3.25Å; H423-R452 PolarHBondContact ND1-NE 3.15Å; H423-R452 PolarHBondContact ND1-NH1 3.25Å; H423-R452 VanDerWaalsContact ND1-NH1 3.13Å; H423-R452 PolarHBondContact ND1-NH2 3.41Å; H423-R452 VanDerWaalsContact ND1-NH2 3.16Å; H423-R452 PolarHBondContact NE2-NH2 3.01Å; H423-R452 VanDerWaalsContact NE2-NH2 3.15Å
424	R	49	Very low	50.9	Low	202 Å²	202	65.5 Å²	65.5	76%	0.762	33%	0.331	S	S	*	.	H	α-helix	trans	-68.1	-32.2	-174.7	-158.4	173.8	-173.3	179.1	1.8	111.5	P420 L421 I428	P420-R424 WeakPolarHBondContact O-CB 3.28Å; P420-R424 PolarHBondContact O-N 3.16Å; L421-R424 PolarHBondContact O-N 3.06Å; R424-I428 VanDerWaalsContact O-CD1 3.24Å; R424-I428 WeakPolarHBondContact O-CD1 3.44Å; R424-I428 WeakPolarHBondContact O-CG1 3.26Å
425	R	50.2	Low	52.8	Low	130 Å²	130	63.7 Å²	63.7	49%	0.491	32%	0.316	S	S	.	.	H	α-helix	trans	-84.4	-37.3	173.9	-74.1	-176.7	163.3	171.4	-4.6	113.1	F382 L421 L422 H423 L429	F382-R425 HydrophobicContact CE2-CB 4.32Å; F382-R425 HydrophobicContact CZ-CB 4.34Å; L421-R425 WeakPolarHBondContact O-CB 3.3Å; L421-R425 PolarHBondContact O-N 3.44Å; L422-R425 PolarHBondContact O-N 3.27Å; H423-R425 VanDerWaalsContact C-N 3.29Å; H423-R425 PolarHBondContact O-N 2.93Å; R425-L429 WeakPolarHBondContact O-CD1 3.45Å; R425-L429 WeakPolarHBondContact O-CG 3.43Å
426	C	49.7	Very low	55.2	Low	13 Å²	13	55.9 Å²	55.9	9%	0.088	28%	0.28	C	S	.	.	H	α-helix	trans	-75.5	-32.7	177.2	-74.8	0	0	0	0	112.8	L422 H423 I428 L429 L430 F433	L422-C426 VanDerWaalsContact CD1-SG 3.56Å; L422-C426 WeakPolarHBondContact O-CA 3.5Å; L422-C426 WeakPolarHBondContact O-CB 3.46Å; L422-C426 PolarHBondContact O-N 3.36Å; L422-C426 PolarHBondContact O-SG 3.07Å; H423-C426 PolarHBondContact O-N 3.48Å; C426-I428 PolarHBondContact O-N 3.35Å; C426-L429 CarbonylContact O-C 3.59Å; C426-L429 WeakPolarHBondContact O-CA 3.36Å; C426-L429 PolarHBondContact O-N 2.96Å; C426-L430 PolarHBondContact O-N 2.93Å; C426-L430 VanDerWaalsContact O-N 3.07Å; C426-F433 HydrophobicContact CB-CE1 3.84Å; C426-F433 HydrophobicContact CB-CE2 4.25Å; C426-F433 HydrophobicContact CB-CZ 3.44Å; C426-F433 VanDerWaalsContact CB-CZ 3.44Å; C426-F433 VanDerWaalsContact O-CE1 3.27Å; C426-F433 WeakPolarHBondContact O-CE1 3.41Å
427	C	45.3	Very low	57.3	Low	44 Å²	44	52.7 Å²	52.7	30%	0.297	26%	0.264	S	S	.	.	H	α-helix	trans	-58.4	-38.6	176.3	-90.1	0	0	0	0	112.3	H423 L429 L430	H423-C427 PolarHBondContact CE1-SG 3.22Å; H423-C427 PolarHBondContact ND1-SG 3.39Å; H423-C427 PolarHBondContact NE2-SG 3.14Å; H423-C427 VanDerWaalsContact NE2-SG 3.41Å; H423-C427 WeakPolarHBondContact O-CA 3.32Å; H423-C427 WeakPolarHBondContact O-CB 3.49Å; H423-C427 PolarHBondContact O-N 3.24Å; H423-C427 PolarHBondContact O-SG 3.04Å; C427-L429 PolarHBondContact O-N 3.02Å; C427-L430 VanDerWaalsContact CA-CD1 3.49Å; C427-L430 HydrophobicContact CB-CD1 4.04Å; C427-L430 WeakPolarHBondContact O-CD1 3.46Å; C427-L430 WeakPolarHBondContact O-CG 3.25Å; C427-L430 PolarHBondContact O-N 3.44Å
428	I	45.8	Very low	59.3	Low	140 Å²	140	47.5 Å²	47.5	72%	0.718	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-19.6	176.7	-61.1	170.5	0	0	0	110.7	R424 C426	R424-I428 VanDerWaalsContact O-CD1 3.24Å; R424-I428 WeakPolarHBondContact O-CD1 3.44Å; R424-I428 WeakPolarHBondContact O-CG1 3.26Å; C426-I428 PolarHBondContact O-N 3.35Å
429	L	51.9	Low	61.2	Low	31 Å²	31	47.4 Å²	47.4	16%	0.162	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	9.1	-175.8	-61.4	170.9	0	0	0	113.7	F382 F392 R425 C426 C427 G431 S432 F433	F382-L429 HydrophobicContact CE1-CD1 3.84Å; F382-L429 HydrophobicContact CZ-CD1 4.14Å; F392-L429 HydrophobicContact CB-CD2 4.18Å; R425-L429 WeakPolarHBondContact O-CD1 3.45Å; R425-L429 WeakPolarHBondContact O-CG 3.43Å; C426-L429 CarbonylContact O-C 3.59Å; C426-L429 WeakPolarHBondContact O-CA 3.36Å; C426-L429 PolarHBondContact O-N 2.96Å; C427-L429 PolarHBondContact O-N 3.02Å; L429-G431 PolarHBondContact O-N 3.21Å; L429-S432 PolarHBondContact O-N 3.46Å; L429-F433 HydrophobicContact CB-CD1 3.77Å; L429-F433 HydrophobicContact CB-CE1 3.83Å; L429-F433 VanDerWaalsContact O-CD1 3.3Å; L429-F433 WeakPolarHBondContact O-CD1 3.44Å; L429-F433 WeakPolarHBondContact O-CE1 3.34Å
430	L	49.6	Very low	63	Low	87 Å²	87	48.6 Å²	48.6	46%	0.455	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-8.7	-166.6	-87	165.3	0	0	0	116.8	L334 C426 C427	L334-L430 WeakPolarHBondContact CD2-O 3.37Å; C426-L430 PolarHBondContact O-N 2.93Å; C426-L430 VanDerWaalsContact O-N 3.07Å; C427-L430 VanDerWaalsContact CA-CD1 3.49Å; C427-L430 HydrophobicContact CB-CD1 4.04Å; C427-L430 WeakPolarHBondContact O-CD1 3.46Å; C427-L430 WeakPolarHBondContact O-CG 3.25Å; C427-L430 PolarHBondContact O-N 3.44Å
431	G	54.7	Low	64.7	Low	32 Å²	32	48.2 Å²	48.2	33%	0.33	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-15.8	173.6	0	0	0	0	0	115.5	L429	L429-G431 PolarHBondContact O-N 3.21Å
432	S	60.3	Low	66.5	Low	25 Å²	25	46.8 Å²	46.8	18%	0.175	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-11.5	-156.8	-57.3	0	0	0	0	115	R396 L397 L429	R396-S432 WeakPolarHBondContact CA-O 3.39Å; L397-S432 PolarHBondContact N-O 3.49Å; L429-S432 PolarHBondContact O-N 3.46Å
433	F	67	Low	68	Low	23 Å²	23	53 Å²	53	10%	0.101	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	147.9	180	73.6	-82.2	0	0	0	112	F335 L397 C426 L429 M435	F335-F433 WeakPolarHBondContact CB-O 3.46Å; L397-F433 HydrophobicContact CB-CB 4.32Å; L397-F433 CarbonylContact O-C 3.56Å; L397-F433 WeakPolarHBondContact O-CA 3.35Å; L397-F433 WeakPolarHBondContact O-CB 3.47Å; C426-F433 HydrophobicContact CB-CE1 3.84Å; C426-F433 HydrophobicContact CB-CE2 4.25Å; C426-F433 HydrophobicContact CB-CZ 3.44Å; C426-F433 VanDerWaalsContact CB-CZ 3.44Å; C426-F433 VanDerWaalsContact O-CE1 3.27Å; C426-F433 WeakPolarHBondContact O-CE1 3.41Å; L429-F433 HydrophobicContact CB-CD1 3.77Å; L429-F433 HydrophobicContact CB-CE1 3.83Å; L429-F433 VanDerWaalsContact O-CD1 3.3Å; L429-F433 WeakPolarHBondContact O-CD1 3.44Å; L429-F433 WeakPolarHBondContact O-CE1 3.34Å; F433-M435 HydrophobicContact CE2-CE 4.03Å
434	S	76.6	Confident	69.3	Low	1 Å²	1	51.1 Å²	51.1	1%	0.007	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	127.3	172.7	179.9	0	0	0	0	108.6	R336 L397 I398 L399	R336-S434 PolarHBondContact O-OG 2.93Å; L397-S434 PolarHBondContact O-N 3.24Å; I398-S434 CarbonylContact C-O 3.57Å; I398-S434 WeakPolarHBondContact CA-O 3.43Å; L399-S434 PolarHBondContact N-O 3.31Å
435	M	79.9	Confident	70.7	Confident	16 Å²	16	41.9 Å²	41.9	8%	0.079	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.6	175.1	-164.9	175.7	-56.1	0	0	110.7	N337 F338 L399 I401 L422 F433 L437	N337-M435 CarbonylContact C-O 3.55Å; N337-M435 VanDerWaalsContact CA-O 3.32Å; N337-M435 WeakPolarHBondContact CA-O 3.46Å; N337-M435 HydrophobicContact CB-CB 4.41Å; N337-M435 WeakPolarHBondContact OD1-CB 3.35Å; N337-M435 PolarHBondContact OD1-N 3.16Å; F338-M435 PolarHBondContact N-O 3.19Å; L399-M435 HydrophobicContact CD2-CE 4.49Å; L399-M435 WeakPolarHBondContact O-CA 3.45Å; I401-M435 HydrophobicContact CD1-CG 4.45Å; I401-M435 HydrophobicContact CD1-SD 4.11Å; L422-M435 HydrophobicContact CD1-CE 4.36Å; L422-M435 HydrophobicContact CD2-CE 4.11Å; L422-M435 HydrophobicContact CG-CE 4.43Å; F433-M435 HydrophobicContact CE2-CE 4.03Å; M435-L437 HydrophobicContact CG-CD2 3.78Å; M435-L437 HydrophobicContact CG-CG 4.23Å; M435-L437 HydrophobicContact SD-CD2 3.65Å; M435-L437 HydrophobicContact SD-CG 4.23Å
436	V	85.6	Confident	71.9	Confident	1 Å²	1	39 Å²	39	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	108	174.4	-177	0	0	0	0	107.7	F338 F340 M355 I398 L399 F400 I401	F338-V436 HydrophobicContact CB-CG1 4.47Å; F338-V436 HydrophobicContact CB-CG2 4.37Å; F338-V436 HydrophobicContact CD2-CG2 4.13Å; F338-V436 CarbonylContact O-C 3.53Å; F338-V436 WeakPolarHBondContact O-CA 3.42Å; F340-V436 HydrophobicContact CD2-CG1 3.9Å; F340-V436 HydrophobicContact CE1-CG1 4.31Å; F340-V436 HydrophobicContact CE2-CG1 3.62Å; F340-V436 HydrophobicContact CG-CG1 4.36Å; F340-V436 HydrophobicContact CZ-CG1 3.86Å; M355-V436 HydrophobicContact CE-CB 4.43Å; M355-V436 HydrophobicContact CE-CG1 4.02Å; M355-V436 HydrophobicContact CE-CG2 3.63Å; I398-V436 HydrophobicContact CG2-CG2 3.83Å; L399-V436 PolarHBondContact O-N 2.78Å; F400-V436 WeakPolarHBondContact CA-O 3.34Å; F400-V436 HydrophobicContact CD2-CB 3.88Å; F400-V436 HydrophobicContact CD2-CG1 3.69Å; F400-V436 WeakPolarHBondContact CD2-O 3.48Å; F400-V436 HydrophobicContact CE2-CG1 4.07Å; I401-V436 PolarHBondContact N-O 3.04Å
437	L	87.6	Confident	73.3	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	134.4	178.5	-59.1	-173.7	0	0	0	109.9	F338 L339 F340 I401 A404 L408 M435 F445 V449 L453	F338-L437 PolarHBondContact O-N 3.01Å; L339-L437 CarbonylContact C-O 3.58Å; L339-L437 HydrophobicContact CD1-CB 3.93Å; F340-L437 PolarHBondContact N-O 3.5Å; I401-L437 HydrophobicContact CB-CD2 3.7Å; I401-L437 HydrophobicContact CD1-CD2 3.77Å; I401-L437 HydrophobicContact CG1-CD2 4.03Å; I401-L437 HydrophobicContact CG2-CD2 4.36Å; A404-L437 HydrophobicContact CB-CB 4.04Å; A404-L437 HydrophobicContact CB-CD2 4.1Å; A404-L437 HydrophobicContact CB-CG 4.47Å; L408-L437 HydrophobicContact CD1-CD1 3.75Å; M435-L437 HydrophobicContact CG-CD2 3.78Å; M435-L437 HydrophobicContact CG-CG 4.23Å; M435-L437 HydrophobicContact SD-CD2 3.65Å; M435-L437 HydrophobicContact SD-CG 4.23Å; L437-F445 HydrophobicContact CD1-CE2 4.5Å; L437-V449 HydrophobicContact CD1-CG1 4.32Å; L437-L453 HydrophobicContact CD1-CD1 4.36Å; L437-L453 HydrophobicContact CD1-CD2 3.8Å; L437-L453 HydrophobicContact CG-CD2 4.26Å
438	A	89.7	Confident	74.8	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.008	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.1	167.3	0	0	0	0	0	110.6	F340 K348 F400 I401 E403 A404	F340-A438 HydrophobicContact CB-CB 4.45Å; F340-A438 WeakPolarHBondContact O-CA 3.35Å; K348-A438 HydrophobicContact CB-CB 4.28Å; F400-A438 HydrophobicContact CE2-CB 3.79Å; F400-A438 HydrophobicContact CZ-CB 3.75Å; I401-A438 PolarHBondContact O-N 3.31Å; E403-A438 PolarHBondContact N-O 2.64Å; E403-A438 VanDerWaalsContact N-O 3.14Å; A404-A438 PolarHBondContact N-O 3.16Å
439	S	89.6	Confident	76.3	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	146	-179.2	-178.1	0	0	0	0	111.8	F340 Y341 K348 D405 Q441	F340-S439 PolarHBondContact O-N 3.14Å; Y341-S439 WeakPolarHBondContact CA-O 3.29Å; K348-S439 WeakPolarHBondContact CE-O 3.14Å; D405-S439 WeakPolarHBondContact CB-OG 3.32Å; S439-Q441 PolarHBondContact OG-N 3.27Å; S439-Q441 VanDerWaalsContact OG-N 3.14Å; S439-Q441 PolarHBondContact OG-O 2.85Å
440	N	88.9	Confident	77.7	Confident	59 Å²	59	42.3 Å²	42.3	32%	0.316	22%	0.218	S	C	.	.	S	Bend	trans	-90.5	-24.6	169.1	-62.2	-50.8	0	0	0	111.8	P344 K348 D405	P344-N440 WeakPolarHBondContact CA-OD1 3.45Å; K348-N440 WeakPolarHBondContact CE-OD1 3.38Å; K348-N440 PolarHBondContact NZ-OD1 2.96Å; D405-N440 PolarHBondContact OD2-N 3.02Å
441	Q	85.1	Confident	79.3	Confident	73 Å²	73	44.2 Å²	44.2	34%	0.341	23%	0.228	S	C	.	.			trans	-130.9	74.3	-172.7	-69	176.4	-14	0	0	109.7	S439 E443 Q444	S439-Q441 PolarHBondContact OG-N 3.27Å; S439-Q441 VanDerWaalsContact OG-N 3.14Å; S439-Q441 PolarHBondContact OG-O 2.85Å; Q441-E443 WeakPolarHBondContact CB-OE1 3.48Å; Q441-E443 PolarHBondContact O-N 3.08Å; Q441-Q444 HydrophobicContact CB-CG 4.12Å; Q441-Q444 PolarHBondContact O-N 3.08Å; Q441-Q444 VanDerWaalsContact OE1-CD 3.25Å
442	P	86.3	Confident	80.5	Confident	25 Å²	25	46.1 Å²	46.1	16%	0.162	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-61.5	-24.7	-178.2	28	-37	0	0	0	113.2	L339 Y341 Q444 F445	L339-P442 HydrophobicContact CD2-CB 4.29Å; Y341-P442 HydrophobicContact CD2-CG 3.93Å; Y341-P442 HydrophobicContact CG-CB 4.48Å; Y341-P442 HydrophobicContact CG-CG 4.2Å; P442-Q444 PolarHBondContact O-N 2.8Å; P442-F445 PolarHBondContact O-N 3.07Å
443	E	83.2	Confident	81.7	Confident	136 Å²	136	46 Å²	46	64%	0.636	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-63.3	-17.4	177.2	65.9	-80.2	179.1	0	0	114.4	Q441 F445	Q441-E443 WeakPolarHBondContact CB-OE1 3.48Å; Q441-E443 PolarHBondContact O-N 3.08Å; E443-F445 VanDerWaalsContact C-N 3.34Å
444	Q	79.2	Confident	82.6	Confident	32 Å²	32	49.4 Å²	49.4	15%	0.15	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-84.2	-8	179.9	-65.6	-167.6	10.4	0	0	114.2	R409 K410 Q441 P442	R409-Q444 HydrophobicContact CG-CB 4.39Å; K410-Q444 PolarHBondContact N-O 3.15Å; K410-Q444 VanDerWaalsContact N-O 3.1Å; Q441-Q444 HydrophobicContact CB-CG 4.12Å; Q441-Q444 PolarHBondContact O-N 3.08Å; Q441-Q444 VanDerWaalsContact OE1-CD 3.25Å; P442-Q444 PolarHBondContact O-N 2.8Å
445	F	78.9	Confident	83.2	Confident	9 Å²	9	51.5 Å²	51.5	4%	0.039	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-72.1	142.4	177.3	-68.3	-19.1	0	0	0	111.9	L339 A404 D405 L408 L437 P442 E443 V449	L339-F445 HydrophobicContact CD1-CE2 3.62Å; L339-F445 HydrophobicContact CD1-CZ 4.28Å; L339-F445 HydrophobicContact CD2-CD2 4.09Å; L339-F445 HydrophobicContact CD2-CE2 3.82Å; L339-F445 HydrophobicContact CG-CE2 4.38Å; A404-F445 HydrophobicContact CB-CE1 4.23Å; A404-F445 HydrophobicContact CB-CZ 3.84Å; D405-F445 HydrophobicContact CB-CE1 4.35Å; L408-F445 HydrophobicContact CB-CD1 3.67Å; L408-F445 HydrophobicContact CB-CE1 3.7Å; L408-F445 HydrophobicContact CD1-CD1 4.44Å; L408-F445 HydrophobicContact CD1-CE1 4.03Å; L408-F445 HydrophobicContact CD1-CZ 4.28Å; L408-F445 HydrophobicContact CG-CE1 4.38Å; L437-F445 HydrophobicContact CD1-CE2 4.5Å; P442-F445 PolarHBondContact O-N 3.07Å; E443-F445 VanDerWaalsContact C-N 3.34Å; F445-V449 HydrophobicContact CB-CB 4.31Å; F445-V449 HydrophobicContact CB-CG1 4.45Å; F445-V449 HydrophobicContact CD2-CG1 4.34Å; F445-V449 HydrophobicContact CG-CG1 4.36Å
446	D	74.4	Confident	83.7	Confident	68 Å²	68	54.6 Å²	54.6	36%	0.364	27%	0.267	S	S	.	.			trans	-69.9	152.8	171.6	-165.9	15.8	0	0	0	110.8	A448 V449 N450	D446-A448 PolarHBondContact O-N 3.39Å; D446-V449 HydrophobicContact CB-CG2 4.33Å; D446-V449 WeakPolarHBondContact O-CB 3.41Å; D446-V449 PolarHBondContact O-N 2.86Å; D446-N450 PolarHBondContact O-N 3.35Å
447	W	79.6	Confident	83.9	Confident	201 Å²	201	54.5 Å²	54.5	76%	0.761	27%	0.267	S	S	*	.	H	α-helix	trans	-55.4	-38.6	-177.7	-177.2	-91	0	0	0	111.9	V449 N450 D451	W447-V449 PolarHBondContact O-N 3.48Å; W447-N450 PolarHBondContact O-N 3.23Å; W447-D451 WeakPolarHBondContact O-CB 3.37Å; W447-D451 PolarHBondContact O-N 3.13Å
448	A	76.6	Confident	84.2	Confident	37 Å²	37	59.3 Å²	59.3	31%	0.306	29%	0.289	S	S	.	.	H	α-helix	trans	-65.1	-23.2	177.9	0	0	0	0	0	114.3	D446 R452	D446-A448 PolarHBondContact O-N 3.39Å; A448-R452 WeakPolarHBondContact O-CD 3.39Å; A448-R452 WeakPolarHBondContact O-CG 3.36Å; A448-R452 PolarHBondContact O-NE 3.13Å
449	V	77.8	Confident	84.3	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.024	29%	0.289	C	S	.	.	H	α-helix	trans	-77	-49.9	172.9	-177.7	0	0	0	0	109.1	L408 F419 L437 F445 D446 W447 D451 R452 L453	L408-V449 HydrophobicContact CD1-CG1 3.79Å; F419-V449 HydrophobicContact CD1-CG2 3.91Å; F419-V449 HydrophobicContact CD2-CG2 4.05Å; F419-V449 HydrophobicContact CE1-CB 3.99Å; F419-V449 HydrophobicContact CE1-CG1 4.42Å; F419-V449 HydrophobicContact CE1-CG2 3.56Å; F419-V449 HydrophobicContact CE2-CB 4.35Å; F419-V449 HydrophobicContact CE2-CG1 4.09Å; F419-V449 HydrophobicContact CE2-CG2 3.73Å; F419-V449 HydrophobicContact CG-CG2 4.16Å; F419-V449 HydrophobicContact CZ-CB 3.78Å; F419-V449 HydrophobicContact CZ-CG1 3.71Å; F419-V449 HydrophobicContact CZ-CG2 3.51Å; L437-V449 HydrophobicContact CD1-CG1 4.32Å; F445-V449 HydrophobicContact CB-CB 4.31Å; F445-V449 HydrophobicContact CB-CG1 4.45Å; F445-V449 HydrophobicContact CD2-CG1 4.34Å; F445-V449 HydrophobicContact CG-CG1 4.36Å; D446-V449 HydrophobicContact CB-CG2 4.33Å; D446-V449 WeakPolarHBondContact O-CB 3.41Å; D446-V449 PolarHBondContact O-N 2.86Å; W447-V449 PolarHBondContact O-N 3.48Å; V449-D451 VanDerWaalsContact C-N 3.29Å; V449-D451 PolarHBondContact O-N 3.21Å; V449-R452 PolarHBondContact O-N 3.49Å; V449-L453 HydrophobicContact CG1-CD1 4.31Å; V449-L453 WeakPolarHBondContact O-CG 3.37Å; V449-L453 PolarHBondContact O-N 2.82Å
450	N	82	Confident	84.4	Confident	56 Å²	56	62.9 Å²	62.9	30%	0.299	31%	0.307	S	S	.	.	H	α-helix	trans	-60.2	-38.7	-178.4	-72.6	-18	0	0	0	112.2	D446 W447 R452 L453	D446-N450 PolarHBondContact O-N 3.35Å; W447-N450 PolarHBondContact O-N 3.23Å; N450-R452 PolarHBondContact O-N 2.83Å; N450-L453 PolarHBondContact O-N 3.42Å; N450-L453 VanDerWaalsContact O-N 3.16Å
451	D	82.3	Confident	84.6	Confident	127 Å²	127	62.9 Å²	62.9	68%	0.679	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.5	176.5	-168.3	55.1	0	0	0	113.8	W447 V449	W447-D451 WeakPolarHBondContact O-CB 3.37Å; W447-D451 PolarHBondContact O-N 3.13Å; V449-D451 VanDerWaalsContact C-N 3.29Å; V449-D451 PolarHBondContact O-N 3.21Å
452	R	80.8	Confident	84.9	Confident	73 Å²	73	60 Å²	60	28%	0.275	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-1.9	179.9	-63.2	177.8	-168.8	160.5	3.2	113.8	N337 H423 A448 V449 N450	N337-R452 WeakPolarHBondContact CB-O 3.49Å; N337-R452 PolarHBondContact ND2-O 3.22Å; H423-R452 PolarHBondContact CD2-NH2 3.15Å; H423-R452 PolarHBondContact CE1-NE 3.29Å; H423-R452 PolarHBondContact CE1-NH2 3.28Å; H423-R452 VanDerWaalsContact CG-NH1 3.25Å; H423-R452 PolarHBondContact ND1-NE 3.15Å; H423-R452 PolarHBondContact ND1-NH1 3.25Å; H423-R452 VanDerWaalsContact ND1-NH1 3.13Å; H423-R452 PolarHBondContact ND1-NH2 3.41Å; H423-R452 VanDerWaalsContact ND1-NH2 3.16Å; H423-R452 PolarHBondContact NE2-NH2 3.01Å; H423-R452 VanDerWaalsContact NE2-NH2 3.15Å; A448-R452 WeakPolarHBondContact O-CD 3.39Å; A448-R452 WeakPolarHBondContact O-CG 3.36Å; A448-R452 PolarHBondContact O-NE 3.13Å; V449-R452 PolarHBondContact O-N 3.49Å; N450-R452 PolarHBondContact O-N 2.83Å
453	L	84.3	Confident	85.2	Confident	21 Å²	21	61.2 Å²	61.2	11%	0.11	30%	0.302	C	S	.	.			trans	-94.4	111	177.8	-67.3	169.9	0	0	0	108.5	N337 L339 L437 V449 N450	N337-L453 HydrophobicContact CB-CD2 4.26Å; L339-L453 HydrophobicContact CB-CD1 3.75Å; L339-L453 HydrophobicContact CB-CD2 4.16Å; L339-L453 HydrophobicContact CB-CG 4.4Å; L339-L453 HydrophobicContact CD2-CD1 3.62Å; L339-L453 HydrophobicContact CG-CD1 4.2Å; L437-L453 HydrophobicContact CD1-CD1 4.36Å; L437-L453 HydrophobicContact CD1-CD2 3.8Å; L437-L453 HydrophobicContact CG-CD2 4.26Å; V449-L453 HydrophobicContact CG1-CD1 4.31Å; V449-L453 WeakPolarHBondContact O-CG 3.37Å; V449-L453 PolarHBondContact O-N 2.82Å; N450-L453 PolarHBondContact O-N 3.42Å; N450-L453 VanDerWaalsContact O-N 3.16Å
454	D	86.8	Confident	85.8	Confident	96 Å²	96	58.1 Å²	58.1	51%	0.513	29%	0.289	S	S	.	.	S	Bend	trans	-72.3	-38.2	-177.6	-57.6	-74	0	0	0	111.8	R336 N337	R336-D454 VanDerWaalsContact CA-OD2 3.27Å; R336-D454 WeakPolarHBondContact CA-OD2 3.4Å; R336-D454 HydrophobicContact CB-CB 3.95Å; R336-D454 HydrophobicContact CG-CB 4.17Å; N337-D454 PolarHBondContact N-OD2 3.16Å; N337-D454 PolarHBondContact O-N 3.27Å; N337-D454 VanDerWaalsContact O-N 3.08Å
455	E	87.9	Confident	86.4	Confident	45 Å²	45	61.5 Å²	61.5	21%	0.21	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	130.6	-177	-76.7	-139.3	-145.3	0	0	113.7	R317 R336 N337 F338 L339	R317-E455 IonicContact CZ-OE2 3.21Å; R317-E455 IonicContact NE-OE2 3.6Å; R317-E455 IonicContact NH2-OE2 3.6Å; R317-E455 PolarHBondContact NH2-OE2 3.25Å; R336-E455 IonicContact NH1-OE1 2.87Å; R336-E455 PolarHBondContact NH1-OE1 3Å; N337-E455 PolarHBondContact O-N 3.43Å; N337-E455 VanDerWaalsContact O-N 3.08Å; F338-E455 CarbonylContact C-O 3.59Å; F338-E455 VanDerWaalsContact CA-O 3.31Å; F338-E455 WeakPolarHBondContact CA-O 3.08Å; F338-E455 HydrophobicContact CD1-CB 3.71Å; F338-E455 HydrophobicContact CE1-CB 3.96Å; F338-E455 HydrophobicContact CE1-CG 4.4Å; L339-E455 PolarHBondContact N-O 3.13Å
456	M	90.3	Very high	87.1	Confident	80 Å²	80	61.4 Å²	61.4	39%	0.394	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	126.8	174	-61.1	-178.9	59.8	0	0	110.3	R317 L339 Y341	R317-M456 PolarHBondContact NH1-O 3.38Å; R317-M456 PolarHBondContact NH2-O 3.07Å; L339-M456 HydrophobicContact CB-CG 4.28Å; L339-M456 HydrophobicContact CD2-CE 3.86Å; L339-M456 HydrophobicContact CD2-CG 4.29Å; L339-M456 HydrophobicContact CD2-SD 4.5Å; Y341-M456 HydrophobicContact CD1-CB 4.25Å; Y341-M456 HydrophobicContact CD1-CE 4.09Å; Y341-M456 HydrophobicContact CE1-CB 3.78Å; Y341-M456 HydrophobicContact CE1-CE 3.94Å
457	V	91.2	Very high	88	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	115.3	-179.7	-177.6	0	0	0	0	109.6	L314 L318 I321 L339 F340 Y341 F459	L314-V457 HydrophobicContact CD1-CG1 3.27Å; L318-V457 HydrophobicContact CD2-CG1 4.1Å; I321-V457 HydrophobicContact CD1-CG2 3.86Å; L339-V457 PolarHBondContact O-N 2.91Å; F340-V457 WeakPolarHBondContact CA-O 3.49Å; F340-V457 HydrophobicContact CD1-CB 3.8Å; F340-V457 HydrophobicContact CD1-CG1 4.46Å; F340-V457 HydrophobicContact CD1-CG2 4.2Å; F340-V457 HydrophobicContact CE1-CB 4.06Å; F340-V457 HydrophobicContact CE1-CG2 4.03Å; Y341-V457 VanDerWaalsContact CD1-O 3.32Å; Y341-V457 WeakPolarHBondContact CD1-O 3.36Å; Y341-V457 PolarHBondContact N-O 3.13Å; V457-F459 HydrophobicContact CG1-CE2 4.04Å
458	Q	92.3	Very high	88.7	Confident	101 Å²	101	51.4 Å²	51.4	47%	0.472	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	128.8	179.3	-165.9	173.5	9.2	0	0	111.4	Y341 I460	Y341-Q458 HydrophobicContact CD2-CG 4.25Å; Y341-Q458 HydrophobicContact CE1-CB 3.85Å; Y341-Q458 HydrophobicContact CE1-CG 4.46Å; Y341-Q458 HydrophobicContact CE2-CB 3.91Å; Y341-Q458 HydrophobicContact CE2-CG 3.61Å; Y341-Q458 VanDerWaalsContact CZ-CB 3.49Å; Y341-Q458 CarbonylContact O-C 3.32Å; Y341-Q458 WeakPolarHBondContact O-CA 3.38Å; Y341-Q458 WeakPolarHBondContact OH-CB 3.32Å; Q458-I460 HydrophobicContact CG-CG2 4.22Å
459	F	92.7	Very high	89.4	Confident	1 Å²	1	54.4 Å²	54.4	0%	0.004	27%	0.27	C	S	.	.			trans	-99.9	108	168.8	-74	-104.6	0	0	0	108.9	L310 L314 L318 F340 Y341 P343 T346 K348 F351 V457	L310-F459 HydrophobicContact CD2-CD1 4.19Å; L310-F459 HydrophobicContact CD2-CE1 4.06Å; L314-F459 HydrophobicContact CD2-CD1 3.97Å; L314-F459 HydrophobicContact CD2-CE1 4.17Å; L314-F459 HydrophobicContact CD2-CG 4.3Å; L318-F459 HydrophobicContact CD1-CZ 4.38Å; F340-F459 HydrophobicContact CB-CD2 4.2Å; F340-F459 HydrophobicContact CB-CE2 3.7Å; F340-F459 HydrophobicContact CD1-CE2 4.03Å; F340-F459 HydrophobicContact CD2-CE2 4.04Å; F340-F459 HydrophobicContact CD2-CZ 4.23Å; F340-F459 AromaticContact CG-CE2 3.66Å; F340-F459 HydrophobicContact CG-CE2 3.66Å; F340-F459 HydrophobicContact CG-CZ 4.3Å; Y341-F459 PolarHBondContact O-N 3.17Å; P343-F459 VanDerWaalsContact CD-O 3.24Å; P343-F459 WeakPolarHBondContact CD-O 3.45Å; T346-F459 WeakPolarHBondContact OG1-CB 3.34Å; K348-F459 HydrophobicContact CD-CD2 4.4Å; K348-F459 HydrophobicContact CG-CB 4.04Å; K348-F459 HydrophobicContact CG-CD1 4.24Å; K348-F459 HydrophobicContact CG-CD2 3.78Å; K348-F459 HydrophobicContact CG-CE2 4.3Å; K348-F459 HydrophobicContact CG-CG 3.75Å; F351-F459 HydrophobicContact CB-CE1 3.88Å; F351-F459 HydrophobicContact CB-CZ 3.99Å; F351-F459 HydrophobicContact CD1-CZ 4.05Å; F351-F459 HydrophobicContact CG-CE1 4.08Å; F351-F459 AromaticContact CG-CZ 4Å; F351-F459 HydrophobicContact CG-CZ 4Å; V457-F459 HydrophobicContact CG1-CE2 4.04Å
460	I	91.8	Very high	90.1	Very high	76 Å²	76	55 Å²	55	39%	0.39	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-83.5	167.5	175.7	60.9	170.7	0	0	0	111.2	H311 Q458	H311-I460 HydrophobicContact CB-CD1 4.36Å; Q458-I460 HydrophobicContact CG-CG2 4.22Å
461	L	92.6	Very high	90.7	Very high	60 Å²	60	52.3 Å²	52.3	31%	0.314	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-69.1	150	168.7	-67.9	167.2	0	0	0	109.8	P343 T346	P343-L461 HydrophobicContact CB-CD2 4.32Å; P343-L461 HydrophobicContact CG-CD2 4.44Å; P343-L461 HydrophobicContact CG-CG 4.3Å; T346-L461 HydrophobicContact CG2-CD2 4.22Å
462	P	92.6	Very high	91.2	Very high	11 Å²	11	48.8 Å²	48.8	7%	0.071	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-65.7	139.4	-176.7	26.7	-34.4	0	0	0	112.4	E466 M470 L524 I529	P462-E466 WeakPolarHBondContact CA-OE2 3.32Å; P462-E466 HydrophobicContact CB-CB 3.73Å; P462-M470 HydrophobicContact CB-SD 4.01Å; P462-M470 HydrophobicContact CG-SD 4.22Å; P462-L524 VanDerWaalsContact CD-O 3.31Å; P462-L524 WeakPolarHBondContact CD-O 3.48Å; P462-L524 WeakPolarHBondContact CG-O 3.32Å; P462-I529 HydrophobicContact CG-CD1 4.04Å
463	T	92.9	Very high	91.6	Very high	52 Å²	52	48.5 Å²	48.5	32%	0.319	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-75.6	172.3	170.7	60.5	0	0	0	0	111.4	D465 E466 C467	T463-D465 VanDerWaalsContact C-N 3.3Å; T463-D465 PolarHBondContact O-N 3.37Å; T463-E466 PolarHBondContact O-N 2.97Å; T463-E466 VanDerWaalsContact O-N 3.13Å; T463-E466 VanDerWaalsContact OG1-CD 3.28Å; T463-E466 PolarHBondContact OG1-OE1 3.21Å; T463-C467 PolarHBondContact O-N 3.47Å; T463-C467 PolarHBondContact O-SG 3.09Å; T463-C467 VanDerWaalsContact O-SG 3.35Å
464	L	94.1	Very high	92	Very high	70 Å²	70	49.6 Å²	49.6	37%	0.366	25%	0.245	S	C	.	.	H	α-helix	trans	-52.6	-46	179.6	179.3	64.6	0	0	0	112.7	E466 C467 K468 A519 V522	L464-E466 VanDerWaalsContact C-N 3.34Å; L464-E466 PolarHBondContact O-N 3.47Å; L464-C467 WeakPolarHBondContact O-CB 3.43Å; L464-C467 PolarHBondContact O-N 3.33Å; L464-K468 WeakPolarHBondContact O-CG 3.31Å; L464-K468 PolarHBondContact O-N 3.38Å; L464-A519 HydrophobicContact CD1-CB 4.26Å; L464-V522 HydrophobicContact CB-CG2 4.4Å; L464-V522 HydrophobicContact CD1-CG2 3.88Å
465	D	93	Very high	92.2	Very high	103 Å²	103	45.1 Å²	45.1	55%	0.551	22%	0.221	S	C	*	.	H	α-helix	trans	-69.4	-33	-178.4	-65.1	-28.8	0	0	0	112.4	T463 R469	T463-D465 VanDerWaalsContact C-N 3.3Å; T463-D465 PolarHBondContact O-N 3.37Å; D465-R469 WeakPolarHBondContact O-CG 3.35Å; D465-R469 PolarHBondContact O-N 2.7Å; D465-R469 PolarHBondContact O-NE 3.02Å
466	E	92.4	Very high	92.2	Very high	8 Å²	8	49.1 Å²	49.1	4%	0.037	24%	0.238	C	C	.	.	H	α-helix	trans	-69.4	-44.7	172.1	-69.6	161.2	-131.7	0	0	110.8	V309 H311 P462 T463 L464 K468 R469 M470	V309-E466 HydrophobicContact CG1-CB 3.89Å; V309-E466 HydrophobicContact CG1-CG 4Å; H311-E466 WeakPolarHBondContact CA-OE1 3.24Å; H311-E466 VanDerWaalsContact CB-OE1 3.28Å; H311-E466 WeakPolarHBondContact CB-OE1 3.45Å; H311-E466 IonicContact CD2-OE1 3.63Å; H311-E466 PolarHBondContact CD2-OE1 3.48Å; H311-E466 IonicContact CG-OE1 3.74Å; H311-E466 PolarHBondContact N-OE1 3.28Å; H311-E466 PolarHBondContact N-OE2 3Å; P462-E466 WeakPolarHBondContact CA-OE2 3.32Å; P462-E466 HydrophobicContact CB-CB 3.73Å; T463-E466 PolarHBondContact O-N 2.97Å; T463-E466 VanDerWaalsContact O-N 3.13Å; T463-E466 VanDerWaalsContact OG1-CD 3.28Å; T463-E466 PolarHBondContact OG1-OE1 3.21Å; L464-E466 VanDerWaalsContact C-N 3.34Å; L464-E466 PolarHBondContact O-N 3.47Å; E466-K468 VanDerWaalsContact C-N 3.34Å; E466-K468 PolarHBondContact O-N 2.96Å; E466-R469 VanDerWaalsContact CG-NH2 3.3Å; E466-R469 PolarHBondContact O-N 3.15Å; E466-M470 WeakPolarHBondContact O-CB 3.41Å; E466-M470 WeakPolarHBondContact O-CG 3.48Å; E466-M470 PolarHBondContact O-N 2.94Å
467	C	93.9	Very high	92.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-56.2	-46.6	175.3	-73.2	0	0	0	0	111.5	T463 L464 R469 M470 V471 A518 I521	T463-C467 PolarHBondContact O-N 3.47Å; T463-C467 PolarHBondContact O-SG 3.09Å; T463-C467 VanDerWaalsContact O-SG 3.35Å; L464-C467 WeakPolarHBondContact O-CB 3.43Å; L464-C467 PolarHBondContact O-N 3.33Å; C467-R469 PolarHBondContact O-N 3.26Å; C467-M470 PolarHBondContact O-N 3.32Å; C467-V471 VanDerWaalsContact O-CG2 3.3Å; C467-V471 WeakPolarHBondContact O-CG2 3.44Å; C467-V471 PolarHBondContact O-N 3.43Å; C467-A518 HydrophobicContact CB-CB 4.2Å; C467-I521 HydrophobicContact CB-CG1 4.46Å
468	K	93.9	Very high	91.9	Very high	58 Å²	58	53.7 Å²	53.7	25%	0.252	25%	0.254	S	S	.	.	H	α-helix	trans	-54.8	-52.3	175.3	-73.8	178.1	-179.8	-175.3	0	111.3	L464 E466 M470 V471 L472 A518	L464-K468 WeakPolarHBondContact O-CG 3.31Å; L464-K468 PolarHBondContact O-N 3.38Å; E466-K468 VanDerWaalsContact C-N 3.34Å; E466-K468 PolarHBondContact O-N 2.96Å; K468-M470 PolarHBondContact O-N 3.03Å; K468-V471 PolarHBondContact O-N 3.43Å; K468-L472 VanDerWaalsContact O-CG 3.29Å; K468-L472 WeakPolarHBondContact O-CG 3.28Å; K468-L472 PolarHBondContact O-N 3.4Å; K468-L472 VanDerWaalsContact O-N 3.09Å; K468-A518 HydrophobicContact CB-CB 4.21Å; K468-A518 HydrophobicContact CG-CB 3.53Å
469	R	92	Very high	91.6	Very high	100 Å²	100	48.9 Å²	48.9	38%	0.377	23%	0.232	S	C	.	.	H	α-helix	trans	-61.3	-42.4	178.7	-71.6	-176.1	-70.1	159.7	0.1	112.2	V309 L310 D465 E466 C467 L472 I473	V309-R469 HydrophobicContact CG1-CB 4.03Å; V309-R469 HydrophobicContact CG2-CB 4.11Å; L310-R469 PolarHBondContact O-NH2 3.42Å; D465-R469 WeakPolarHBondContact O-CG 3.35Å; D465-R469 PolarHBondContact O-N 2.7Å; D465-R469 PolarHBondContact O-NE 3.02Å; E466-R469 VanDerWaalsContact CG-NH2 3.3Å; E466-R469 PolarHBondContact O-N 3.15Å; C467-R469 PolarHBondContact O-N 3.26Å; R469-L472 PolarHBondContact O-N 3.46Å; R469-I473 VanDerWaalsContact O-CG1 3.27Å; R469-I473 WeakPolarHBondContact O-CG1 3.33Å; R469-I473 PolarHBondContact O-N 3.37Å
470	M	92.8	Very high	91.2	Very high	16 Å²	16	50 Å²	50	8%	0.079	24%	0.241	C	C	.	.	H	α-helix	trans	-65	-48	-179.8	-72.6	-176.7	74.1	0	0	112.2	V309 P462 E466 C467 K468 L472 I473 Y474 I529	V309-M470 HydrophobicContact CB-CG 3.64Å; V309-M470 HydrophobicContact CB-SD 4.45Å; V309-M470 HydrophobicContact CG1-CG 3.92Å; V309-M470 HydrophobicContact CG2-CG 3.83Å; P462-M470 HydrophobicContact CB-SD 4.01Å; P462-M470 HydrophobicContact CG-SD 4.22Å; E466-M470 WeakPolarHBondContact O-CB 3.41Å; E466-M470 WeakPolarHBondContact O-CG 3.48Å; E466-M470 PolarHBondContact O-N 2.94Å; C467-M470 PolarHBondContact O-N 3.32Å; K468-M470 PolarHBondContact O-N 3.03Å; M470-L472 VanDerWaalsContact C-N 3.31Å; M470-L472 PolarHBondContact O-N 3.25Å; M470-I473 PolarHBondContact O-N 3.46Å; M470-Y474 HydrophobicContact CB-CD2 4.41Å; M470-Y474 HydrophobicContact CB-CE2 4.26Å; M470-Y474 HydrophobicContact CE-CE2 3.81Å; M470-Y474 WeakPolarHBondContact O-CD2 3.15Å; M470-Y474 PolarHBondContact O-N 2.86Å; M470-I529 HydrophobicContact CB-CG2 4.45Å; M470-I529 HydrophobicContact CE-CD1 4.38Å; M470-I529 HydrophobicContact SD-CD1 4.24Å
471	V	93.7	Very high	90.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.7	-45.3	177.8	175.1	0	0	0	0	109.8	C467 K468 I473 Y474 F475 C514 I521 I529 W536	C467-V471 VanDerWaalsContact O-CG2 3.3Å; C467-V471 WeakPolarHBondContact O-CG2 3.44Å; C467-V471 PolarHBondContact O-N 3.43Å; K468-V471 PolarHBondContact O-N 3.43Å; V471-I473 PolarHBondContact O-N 2.92Å; V471-Y474 PolarHBondContact O-N 3.26Å; V471-F475 WeakPolarHBondContact O-CB 3.47Å; V471-F475 PolarHBondContact O-N 3.18Å; V471-C514 HydrophobicContact CG1-CB 3.78Å; V471-I521 HydrophobicContact CG2-CD1 3.47Å; V471-I521 VanDerWaalsContact CG2-CD1 3.47Å; V471-I529 HydrophobicContact CG2-CG2 3.89Å; V471-W536 HydrophobicContact CG1-CH2 4.09Å; V471-W536 HydrophobicContact CG1-CZ3 4.29Å
472	L	92.3	Very high	90.3	Very high	54 Å²	54	49 Å²	49	28%	0.283	24%	0.237	S	C	.	.	H	α-helix	trans	-61	-44.7	177.5	-71.8	169.6	0	0	0	112.9	K468 R469 M470 F475 K476 W510 C514	K468-L472 VanDerWaalsContact O-CG 3.29Å; K468-L472 WeakPolarHBondContact O-CG 3.28Å; K468-L472 PolarHBondContact O-N 3.4Å; K468-L472 VanDerWaalsContact O-N 3.09Å; R469-L472 PolarHBondContact O-N 3.46Å; M470-L472 VanDerWaalsContact C-N 3.31Å; M470-L472 PolarHBondContact O-N 3.25Å; L472-F475 PolarHBondContact O-N 3.21Å; L472-K476 VanDerWaalsContact O-CB 3.29Å; L472-K476 WeakPolarHBondContact O-CB 3.45Å; L472-K476 PolarHBondContact O-N 3.34Å; L472-W510 HydrophobicContact CD2-CE3 4.44Å; L472-W510 HydrophobicContact CD2-CZ3 3.98Å; L472-C514 HydrophobicContact CD2-CB 3.83Å; L472-C514 HydrophobicContact CG-CB 4.33Å
473	I	90.6	Very high	89.7	Confident	66 Å²	66	50.1 Å²	50.1	34%	0.338	25%	0.247	S	C	.	.	H	α-helix	trans	-62.7	-46.8	177.8	-72.1	166	0	0	0	110.8	V309 R469 M470 V471 K477	V309-I473 HydrophobicContact CG2-CD1 3.43Å; V309-I473 VanDerWaalsContact CG2-CD1 3.43Å; R469-I473 VanDerWaalsContact O-CG1 3.27Å; R469-I473 WeakPolarHBondContact O-CG1 3.33Å; R469-I473 PolarHBondContact O-N 3.37Å; M470-I473 PolarHBondContact O-N 3.46Å; V471-I473 PolarHBondContact O-N 2.92Å; I473-K477 WeakPolarHBondContact O-CB 3.46Å; I473-K477 PolarHBondContact O-N 2.95Å
474	Y	91.7	Very high	88.7	Confident	45 Å²	45	52.1 Å²	52.1	18%	0.176	26%	0.259	C	S	.	.	H	α-helix	trans	-69.2	-39.6	180	-69.4	-47.9	0	0	0	112.2	M470 V471 K477 Y478 I529 A530	M470-Y474 HydrophobicContact CB-CD2 4.41Å; M470-Y474 HydrophobicContact CB-CE2 4.26Å; M470-Y474 HydrophobicContact CE-CE2 3.81Å; M470-Y474 WeakPolarHBondContact O-CD2 3.15Å; M470-Y474 PolarHBondContact O-N 2.86Å; V471-Y474 PolarHBondContact O-N 3.26Å; Y474-K477 PolarHBondContact O-N 3.41Å; Y474-Y478 HydrophobicContact CD1-CD2 4.32Å; Y474-Y478 AromaticContact CD1-CE2 3.75Å; Y474-Y478 HydrophobicContact CD1-CE2 3.75Å; Y474-Y478 HydrophobicContact CG-CE2 4.42Å; Y474-Y478 WeakPolarHBondContact O-CB 3.41Å; Y474-Y478 VanDerWaalsContact O-CD2 3.3Å; Y474-Y478 WeakPolarHBondContact O-CD2 3.33Å; Y474-Y478 PolarHBondContact O-N 2.99Å; Y474-I529 HydrophobicContact CD2-CG2 4.02Å; Y474-I529 HydrophobicContact CE2-CG2 4.26Å; Y474-A530 HydrophobicContact CD1-CB 4.45Å; Y474-A530 HydrophobicContact CD2-CB 4.36Å; Y474-A530 HydrophobicContact CE1-CB 4Å; Y474-A530 HydrophobicContact CE2-CB 3.9Å
475	F	91.4	Very high	87.3	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.009	27%	0.269	C	S	.	.	H	α-helix	trans	-60.8	-47.7	175.7	-173.3	-88.2	0	0	0	110.4	V471 L472 K477 I479 A480 L505 W510 W536	V471-F475 WeakPolarHBondContact O-CB 3.47Å; V471-F475 PolarHBondContact O-N 3.18Å; L472-F475 PolarHBondContact O-N 3.21Å; F475-K477 VanDerWaalsContact C-N 3.32Å; F475-K477 PolarHBondContact O-N 2.88Å; F475-I479 HydrophobicContact CD2-CB 4.3Å; F475-I479 HydrophobicContact CD2-CD1 3.49Å; F475-I479 VanDerWaalsContact CD2-CD1 3.49Å; F475-I479 HydrophobicContact CD2-CG1 4.48Å; F475-I479 HydrophobicContact CD2-CG2 4.43Å; F475-I479 HydrophobicContact CE1-CG2 4.19Å; F475-I479 HydrophobicContact CE2-CB 4.28Å; F475-I479 HydrophobicContact CE2-CD1 3.69Å; F475-I479 HydrophobicContact CE2-CG2 3.92Å; F475-I479 HydrophobicContact CG-CB 4.46Å; F475-I479 HydrophobicContact CG-CD1 4.27Å; F475-I479 HydrophobicContact CZ-CB 4.41Å; F475-I479 HydrophobicContact CZ-CG2 3.78Å; F475-I479 WeakPolarHBondContact O-CA 3.37Å; F475-I479 VanDerWaalsContact O-CB 3.29Å; F475-I479 WeakPolarHBondContact O-CB 3.49Å; F475-I479 PolarHBondContact O-N 3.19Å; F475-A480 PolarHBondContact O-N 2.96Å; F475-L505 HydrophobicContact CE1-CD2 3.96Å; F475-L505 HydrophobicContact CZ-CD2 3.63Å; F475-W510 HydrophobicContact CD1-CD2 4.35Å; F475-W510 AromaticContact CD1-CE3 3.8Å; F475-W510 HydrophobicContact CD1-CE3 3.8Å; F475-W510 HydrophobicContact CD1-CZ3 4.39Å; F475-W510 HydrophobicContact CE1-CB 3.73Å; F475-W510 AromaticContact CE1-CD2 3.81Å; F475-W510 HydrophobicContact CE1-CD2 3.81Å; F475-W510 AromaticContact CE1-CE3 3.74Å; F475-W510 HydrophobicContact CE1-CE3 3.74Å; F475-W510 AromaticContact CE1-CG 3.82Å; F475-W510 HydrophobicContact CE1-CG 3.82Å; F475-W510 HydrophobicContact CE2-CB 4.43Å; F475-W510 HydrophobicContact CZ-CB 3.57Å; F475-W510 HydrophobicContact CZ-CG 4.14Å; F475-W536 HydrophobicContact CD2-CE3 4.17Å; F475-W536 AromaticContact CD2-CZ3 3.98Å; F475-W536 HydrophobicContact CD2-CZ3 3.98Å
476	K	88.5	Confident	85.3	Confident	128 Å²	128	52.7 Å²	52.7	56%	0.557	26%	0.263	S	S	*	.	I	π-helix	trans	-56.9	-47.1	175.7	-175.6	177.4	177.4	179.2	0	111.6	L472 A480 E481	L472-K476 VanDerWaalsContact O-CB 3.29Å; L472-K476 WeakPolarHBondContact O-CB 3.45Å; L472-K476 PolarHBondContact O-N 3.34Å; K476-A480 PolarHBondContact O-N 2.95Å; K476-E481 WeakPolarHBondContact O-CB 3.39Å; K476-E481 WeakPolarHBondContact O-CG 3.48Å; K476-E481 PolarHBondContact O-N 3.48Å
477	K	86.6	Confident	83.2	Confident	114 Å²	114	61.8 Å²	61.8	50%	0.496	30%	0.303	S	S	.	.	I	π-helix	trans	-69.6	-45	-175.9	-175.5	177.1	-179.2	179	0	114	I473 Y474 F475 P482	I473-K477 WeakPolarHBondContact O-CB 3.46Å; I473-K477 PolarHBondContact O-N 2.95Å; Y474-K477 PolarHBondContact O-N 3.41Å; F475-K477 VanDerWaalsContact C-N 3.32Å; F475-K477 PolarHBondContact O-N 2.88Å; K477-P482 WeakPolarHBondContact O-CD 3.44Å
478	Y	87.2	Confident	80.7	Confident	63 Å²	63	73.3 Å²	73.3	25%	0.247	35%	0.346	C	S	.	.	I	π-helix	trans	-97.9	-18.7	-171.5	-66.4	-65.4	0	0	0	114.1	Y474 P482 V533 V534 Q537	Y474-Y478 HydrophobicContact CD1-CD2 4.32Å; Y474-Y478 AromaticContact CD1-CE2 3.75Å; Y474-Y478 HydrophobicContact CD1-CE2 3.75Å; Y474-Y478 HydrophobicContact CG-CE2 4.42Å; Y474-Y478 WeakPolarHBondContact O-CB 3.41Å; Y474-Y478 VanDerWaalsContact O-CD2 3.3Å; Y474-Y478 WeakPolarHBondContact O-CD2 3.33Å; Y474-Y478 PolarHBondContact O-N 2.99Å; Y478-P482 WeakPolarHBondContact O-CG 3.49Å; Y478-V533 HydrophobicContact CD2-CG1 4.14Å; Y478-V534 HydrophobicContact CD1-CG2 4.29Å; Y478-V534 HydrophobicContact CD2-CG2 4.24Å; Y478-V534 HydrophobicContact CE1-CG2 4.15Å; Y478-V534 HydrophobicContact CE2-CG2 4.07Å; Y478-V534 HydrophobicContact CG-CG2 4.35Å; Y478-Q537 PolarHBondContact O-NE2 2.98Å
479	I	87.1	Confident	78.2	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	36%	0.36	C	S	.	.	I	π-helix	trans	-120.8	-58.8	-173.2	-63.4	165.4	0	0	0	110	F475 P482 A483 L503 L505 V533 W536 L548	F475-I479 HydrophobicContact CD2-CB 4.3Å; F475-I479 HydrophobicContact CD2-CD1 3.49Å; F475-I479 VanDerWaalsContact CD2-CD1 3.49Å; F475-I479 HydrophobicContact CD2-CG1 4.48Å; F475-I479 HydrophobicContact CD2-CG2 4.43Å; F475-I479 HydrophobicContact CE1-CG2 4.19Å; F475-I479 HydrophobicContact CE2-CB 4.28Å; F475-I479 HydrophobicContact CE2-CD1 3.69Å; F475-I479 HydrophobicContact CE2-CG2 3.92Å; F475-I479 HydrophobicContact CG-CB 4.46Å; F475-I479 HydrophobicContact CG-CD1 4.27Å; F475-I479 HydrophobicContact CZ-CB 4.41Å; F475-I479 HydrophobicContact CZ-CG2 3.78Å; F475-I479 WeakPolarHBondContact O-CA 3.37Å; F475-I479 VanDerWaalsContact O-CB 3.29Å; F475-I479 WeakPolarHBondContact O-CB 3.49Å; F475-I479 PolarHBondContact O-N 3.19Å; I479-P482 WeakPolarHBondContact O-CD 3.3Å; I479-A483 VanDerWaalsContact O-CB 3.3Å; I479-A483 WeakPolarHBondContact O-CB 3.49Å; I479-A483 PolarHBondContact O-N 3.21Å; I479-L503 HydrophobicContact CG2-CD2 4.06Å; I479-L505 HydrophobicContact CG2-CD1 3.63Å; I479-L505 HydrophobicContact CG2-CD2 4.22Å; I479-L505 HydrophobicContact CG2-CG 4.03Å; I479-V533 HydrophobicContact CD1-CG1 3.91Å; I479-W536 HydrophobicContact CD1-CB 4.01Å; I479-W536 HydrophobicContact CD1-CE3 3.7Å; I479-L548 HydrophobicContact CD1-CD2 3.82Å; I479-L548 HydrophobicContact CG1-CD2 4.35Å; I479-L548 HydrophobicContact CG2-CD2 3.92Å
480	A	84.6	Confident	75.9	Confident	24 Å²	24	73.3 Å²	73.3	20%	0.198	37%	0.373	C	S	.	.	I	π-helix	trans	-69.2	-42.6	-174.1	0	0	0	0	0	113.2	F475 K476 A483 T484	F475-A480 PolarHBondContact O-N 2.96Å; K476-A480 PolarHBondContact O-N 2.95Å; A480-A483 PolarHBondContact O-N 3.02Å; A480-T484 WeakPolarHBondContact O-CB 3.38Å; A480-T484 VanDerWaalsContact O-CG2 3.31Å; A480-T484 WeakPolarHBondContact O-CG2 3.46Å; A480-T484 PolarHBondContact O-N 3.1Å; A480-T484 PolarHBondContact O-OG1 3.24Å
481	E	83.7	Confident	73.6	Confident	72 Å²	72	80.5 Å²	80.5	34%	0.336	41%	0.41	S	S	.	.	H	α-helix	trans	-63.6	-49.9	177.2	-82.9	176.9	-161.9	0	0	112	K476 A483 T484 Q485	K476-E481 WeakPolarHBondContact O-CB 3.39Å; K476-E481 WeakPolarHBondContact O-CG 3.48Å; K476-E481 PolarHBondContact O-N 3.48Å; E481-A483 VanDerWaalsContact C-N 3.27Å; E481-A483 PolarHBondContact O-N 3.21Å; E481-T484 PolarHBondContact O-N 3.28Å; E481-T484 VanDerWaalsContact O-N 3.12Å; E481-T484 PolarHBondContact O-OG1 3.07Å; E481-Q485 VanDerWaalsContact O-CB 3.29Å; E481-Q485 WeakPolarHBondContact O-CB 3.33Å; E481-Q485 VanDerWaalsContact O-CG 3.27Å; E481-Q485 WeakPolarHBondContact O-CG 3.35Å; E481-Q485 PolarHBondContact O-N 2.96Å
482	P	80.9	Confident	71.4	Confident	44 Å²	44	85.8 Å²	85.8	29%	0.286	44%	0.438	S	S	.	.	H	α-helix	trans	-59.3	-33.9	173.1	-30.4	39.8	0	0	0	114.3	K477 Y478 I479	K477-P482 WeakPolarHBondContact O-CD 3.44Å; Y478-P482 WeakPolarHBondContact O-CG 3.49Å; I479-P482 WeakPolarHBondContact O-CD 3.3Å
483	A	79.3	Confident	69.1	Low	33 Å²	33	91.7 Å²	91.7	27%	0.273	46%	0.461	S	S	.	.	H	α-helix	trans	-70.3	-32.2	175.2	0	0	0	0	0	112.9	I479 A480 E481 L503 L505	I479-A483 VanDerWaalsContact O-CB 3.3Å; I479-A483 WeakPolarHBondContact O-CB 3.49Å; I479-A483 PolarHBondContact O-N 3.21Å; A480-A483 PolarHBondContact O-N 3.02Å; E481-A483 VanDerWaalsContact C-N 3.27Å; E481-A483 PolarHBondContact O-N 3.21Å; A483-L503 HydrophobicContact CB-CD2 4.24Å; A483-L505 HydrophobicContact CB-CD1 3.69Å
484	T	73.3	Confident	67.2	Low	95 Å²	95	99.3 Å²	99.3	58%	0.583	49%	0.488	S	S	*	.	H	α-helix	trans	-99.3	-29.8	-173	52.8	0	0	0	0	115.1	A480 E481 S486	A480-T484 WeakPolarHBondContact O-CB 3.38Å; A480-T484 VanDerWaalsContact O-CG2 3.31Å; A480-T484 WeakPolarHBondContact O-CG2 3.46Å; A480-T484 PolarHBondContact O-N 3.1Å; A480-T484 PolarHBondContact O-OG1 3.24Å; E481-T484 PolarHBondContact O-N 3.28Å; E481-T484 VanDerWaalsContact O-N 3.12Å; E481-T484 PolarHBondContact O-OG1 3.07Å; T484-S486 PolarHBondContact O-N 3.08Å
485	Q	63.6	Low	65.2	Low	124 Å²	124	103 Å²	103	58%	0.579	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-65.7	-1.6	-172.5	-79.7	-177.5	12.1	0	0	115	E481 K487 R488	E481-Q485 VanDerWaalsContact O-CB 3.29Å; E481-Q485 WeakPolarHBondContact O-CB 3.33Å; E481-Q485 VanDerWaalsContact O-CG 3.27Å; E481-Q485 WeakPolarHBondContact O-CG 3.35Å; E481-Q485 PolarHBondContact O-N 2.96Å; Q485-K487 PolarHBondContact O-N 3.18Å; Q485-R488 PolarHBondContact O-N 2.95Å
486	S	51.1	Low	62.7	Low	61 Å²	61	105.9 Å²	105.9	43%	0.427	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-57.1	-14.1	175.4	-120.1	0	0	0	0	116.2	T484 R502	T484-S486 PolarHBondContact O-N 3.08Å; S486-R502 WeakPolarHBondContact OG-CD 3.45Å; S486-R502 PolarHBondContact OG-NH1 3.17Å
487	K	48.1	Very low	60.2	Low	198 Å²	198	107.8 Å²	107.8	86%	0.861	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-91.9	-20.8	-178.3	-66.5	-173.2	-178.5	-179.8	0	115.2	Q485	Q485-K487 PolarHBondContact O-N 3.18Å
488	R	42.8	Very low	58.1	Low	243 Å²	243	109.4 Å²	109.4	92%	0.917	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-13.9	-171.5	-81.3	-174.9	175.2	146.7	-0.9	115.5	Q485	Q485-R488 PolarHBondContact O-N 2.95Å
489	C	41.4	Very low	55.6	Low	79 Å²	79	111.8 Å²	111.8	53%	0.534	59%	0.585	S	S	.	*			trans	-105	57.8	178.2	-127.6	0	0	0	0	111.9	L491	C489-L491 PolarHBondContact O-N 3.23Å
490	A	43.7	Very low	53.6	Low	78 Å²	78	121.4 Å²	121.4	65%	0.645	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-65.3	-24.6	171.6	0	0	0	0	0	112.2	L492 K493	A490-L492 PolarHBondContact O-N 3.34Å; A490-K493 WeakPolarHBondContact O-CB 3.12Å
491	L	44	Very low	52	Low	167 Å²	167	125.8 Å²	125.8	87%	0.874	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-75.8	-22.1	-174.1	-145.1	86.8	0	0	0	114.4	C489	C489-L491 PolarHBondContact O-N 3.23Å
492	L	48.3	Very low	51.1	Low	111 Å²	111	130.2 Å²	130.2	58%	0.581	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-93.6	1.6	-179.7	-96.6	159.9	0	0	0	113.6	A490 Y494 V495	A490-L492 PolarHBondContact O-N 3.34Å; L492-Y494 PolarHBondContact O-N 3.18Å; L492-V495 PolarHBondContact O-N 3.06Å
493	K	44	Very low	51	Low	178 Å²	178	128.3 Å²	128.3	77%	0.774	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-18.1	-177.7	-149.7	177.7	-176.6	-174	0	113.4	A490	A490-K493 WeakPolarHBondContact O-CB 3.12Å
494	Y	49.1	Very low	51.1	Low	227 Å²	227	132.8 Å²	132.8	89%	0.89	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-8.6	-177.4	-84.1	-85	0	0	0	115.2	L492	L492-Y494 PolarHBondContact O-N 3.18Å
495	V	51.7	Low	51.6	Low	122 Å²	122	130.6 Å²	130.6	74%	0.739	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	-17.8	-172.3	-179	0	0	0	0	113.5	L492	L492-V495 PolarHBondContact O-N 3.06Å
496	S	37.8	Very low	52.5	Low	62 Å²	62	126.1 Å²	126.1	43%	0.434	62%	0.624	S	S	.	*			trans	-105.6	96.1	-177.4	-173.7	0	0	0	0	112	H498 W500	S496-H498 PolarHBondContact O-N 3.47Å; S496-W500 PolarHBondContact OG-NE1 3.43Å
497	L	36	Very low	54.1	Low	169 Å²	169	131.6 Å²	131.6	89%	0.885	65%	0.649	S	S	*	*			trans	-71	17	175.4	-117.3	150	0	0	0	114.4
498	H	42	Very low	55.9	Low	148 Å²	148	124 Å²	124	69%	0.685	62%	0.616	S	S	*	*	S	Bend	trans	-126.4	122.4	173.9	-74.7	66.7	0	0	0	108.8	S496 W500	S496-H498 PolarHBondContact O-N 3.47Å; H498-W500 VanDerWaalsContact C-N 3.33Å; H498-W500 PolarHBondContact O-N 3.4Å
499	S	36.2	Very low	58.1	Low	112 Å²	112	117.2 Å²	117.2	78%	0.783	60%	0.598	S	S	*	*			trans	-65	92.3	168.6	174.8	0	0	0	0	108.3	N501	S499-N501 PolarHBondContact O-N 3.35Å
500	W	44.1	Very low	60.2	Low	203 Å²	203	118.5 Å²	118.5	77%	0.769	59%	0.592	S	S	*	*			trans	-64.3	109.1	172.5	-64.2	75.9	0	0	0	107.6	S496 H498 R502	S496-W500 PolarHBondContact OG-NE1 3.43Å; H498-W500 VanDerWaalsContact C-N 3.33Å; H498-W500 PolarHBondContact O-N 3.4Å; W500-R502 PolarHBondContact O-N 2.95Å
501	N	51.3	Low	62.5	Low	116 Å²	116	117.4 Å²	117.4	62%	0.62	58%	0.577	S	S	*	*			trans	-54.1	111.7	172.9	-89.9	-5.4	0	0	0	108.2	S499	S499-N501 PolarHBondContact O-N 3.35Å
502	R	64.8	Low	64.8	Low	164 Å²	164	111.7 Å²	111.7	62%	0.619	55%	0.554	S	S	*	*			trans	-68.2	137.5	-176.7	-63.2	174.9	-136	-141	9.7	108.1	S486 W500 K504	S486-R502 WeakPolarHBondContact OG-CD 3.45Å; S486-R502 PolarHBondContact OG-NH1 3.17Å; W500-R502 PolarHBondContact O-N 2.95Å; R502-K504 PolarHBondContact O-N 2.88Å
503	L	78.2	Confident	66.9	Low	4 Å²	4	107.2 Å²	107.2	2%	0.021	53%	0.53	C	S	.	.			trans	-61.3	120.4	166.5	-172.2	149	0	0	0	108.2	I479 A483 L505 Q537 A540 Y541 G546	I479-L503 HydrophobicContact CG2-CD2 4.06Å; A483-L503 HydrophobicContact CB-CD2 4.24Å; L503-L505 HydrophobicContact CD2-CD1 3.87Å; L503-Q537 HydrophobicContact CD1-CG 3.87Å; L503-A540 HydrophobicContact CD1-CB 3.69Å; L503-A540 HydrophobicContact CG-CB 3.97Å; L503-Y541 HydrophobicContact CB-CE1 4.06Å; L503-Y541 HydrophobicContact CD1-CE1 4.49Å; L503-Y541 HydrophobicContact CD1-CE2 4.24Å; L503-G546 WeakPolarHBondContact CA-O 3.49Å
504	K	82.2	Confident	69.2	Low	128 Å²	128	99 Å²	99	56%	0.557	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	149.2	174.5	-68.5	175.2	-175.1	172.5	0	108.8	R502 G546 V547 L548	R502-K504 PolarHBondContact O-N 2.88Å; K504-G546 PolarHBondContact N-O 3.39Å; K504-V547 HydrophobicContact CB-CG2 3.93Å; K504-V547 HydrophobicContact CD-CG2 4.3Å; K504-V547 CarbonylContact O-C 3.59Å; K504-V547 WeakPolarHBondContact O-CA 3.36Å; K504-L548 PolarHBondContact O-N 3.4Å
505	L	82.9	Confident	71.3	Confident	49 Å²	49	92.6 Å²	92.6	26%	0.257	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	141.8	167.5	-80.3	69.6	0	0	0	108	F475 I479 A483 L503	F475-L505 HydrophobicContact CE1-CD2 3.96Å; F475-L505 HydrophobicContact CZ-CD2 3.63Å; I479-L505 HydrophobicContact CG2-CD1 3.63Å; I479-L505 HydrophobicContact CG2-CD2 4.22Å; I479-L505 HydrophobicContact CG2-CG 4.03Å; A483-L505 HydrophobicContact CB-CD1 3.69Å; L503-L505 HydrophobicContact CD2-CD1 3.87Å
506	A	83.6	Confident	73.3	Confident	29 Å²	29	89.1 Å²	89.1	24%	0.24	45%	0.454	C	S	.	.			trans	-66.7	159.8	164.1	0	0	0	0	0	110.5	F508 V547 L548 T549	A506-F508 HydrophobicContact CB-CD1 3.83Å; A506-F508 HydrophobicContact CB-CE1 3.97Å; A506-F508 WeakPolarHBondContact O-CD1 3.49Å; A506-F508 WeakPolarHBondContact O-CE1 3.44Å; A506-F508 PolarHBondContact O-N 3.39Å; A506-V547 HydrophobicContact CB-CG1 3.88Å; A506-L548 WeakPolarHBondContact CB-O 3.48Å; A506-L548 PolarHBondContact N-O 3.36Å; A506-T549 HydrophobicContact CB-CG2 4.41Å
507	D	84	Confident	76	Confident	177 Å²	177	86.2 Å²	86.2	95%	0.947	43%	0.433	S	S	*	.	S	Bend	trans	-75	89.8	179.1	-67	-28.6	0	0	0	110.2
508	F	86.4	Confident	78.8	Confident	37 Å²	37	78.1 Å²	78.1	16%	0.162	39%	0.391	C	S	.	.	S	Bend	trans	-146.7	158.1	171.6	63.4	-87.8	0	0	0	111.3	A506 W510 K513 I553	A506-F508 HydrophobicContact CB-CD1 3.83Å; A506-F508 HydrophobicContact CB-CE1 3.97Å; A506-F508 WeakPolarHBondContact O-CD1 3.49Å; A506-F508 WeakPolarHBondContact O-CE1 3.44Å; A506-F508 PolarHBondContact O-N 3.39Å; F508-W510 HydrophobicContact CD2-CB 4.36Å; F508-W510 HydrophobicContact CE2-CB 3.94Å; F508-W510 PolarHBondContact O-N 2.91Å; F508-K513 HydrophobicContact CD2-CB 4.3Å; F508-K513 HydrophobicContact CE2-CB 4.27Å; F508-K513 HydrophobicContact CE2-CG 4.42Å; F508-I553 HydrophobicContact CE2-CD1 3.98Å; F508-I553 HydrophobicContact CZ-CD1 3.68Å
509	D	88.5	Confident	81.3	Confident	102 Å²	102	74 Å²	74	55%	0.545	38%	0.383	S	S	.	.			trans	-73.6	94.4	173.8	-174.8	-0.8	0	0	0	110.4	V511 A512 K513	D509-V511 PolarHBondContact O-N 3.36Å; D509-V511 WeakPolarHBondContact OD1-CB 3.49Å; D509-V511 PolarHBondContact OD1-N 2.89Å; D509-A512 HydrophobicContact CB-CB 4.14Å; D509-A512 PolarHBondContact O-N 3.32Å; D509-A512 PolarHBondContact OD1-N 2.95Å; D509-A512 WeakPolarHBondContact OD2-CB 3.46Å; D509-K513 WeakPolarHBondContact O-CB 3.18Å; D509-K513 PolarHBondContact O-N 2.88Å
510	W	86.4	Confident	84.1	Confident	106 Å²	106	74 Å²	74	40%	0.402	37%	0.368	S	S	.	.	H	α-helix	trans	-66.8	-23.5	-179.9	57.5	-90.4	0	0	0	113	L472 F475 F508 C514	L472-W510 HydrophobicContact CD2-CE3 4.44Å; L472-W510 HydrophobicContact CD2-CZ3 3.98Å; F475-W510 HydrophobicContact CD1-CD2 4.35Å; F475-W510 AromaticContact CD1-CE3 3.8Å; F475-W510 HydrophobicContact CD1-CE3 3.8Å; F475-W510 HydrophobicContact CD1-CZ3 4.39Å; F475-W510 HydrophobicContact CE1-CB 3.73Å; F475-W510 AromaticContact CE1-CD2 3.81Å; F475-W510 HydrophobicContact CE1-CD2 3.81Å; F475-W510 AromaticContact CE1-CE3 3.74Å; F475-W510 HydrophobicContact CE1-CE3 3.74Å; F475-W510 AromaticContact CE1-CG 3.82Å; F475-W510 HydrophobicContact CE1-CG 3.82Å; F475-W510 HydrophobicContact CE2-CB 4.43Å; F475-W510 HydrophobicContact CZ-CB 3.57Å; F475-W510 HydrophobicContact CZ-CG 4.14Å; F508-W510 HydrophobicContact CD2-CB 4.36Å; F508-W510 HydrophobicContact CE2-CB 3.94Å; F508-W510 PolarHBondContact O-N 2.91Å; W510-C514 WeakPolarHBondContact O-CB 3.48Å; W510-C514 PolarHBondContact O-N 3.36Å; W510-C514 PolarHBondContact O-SG 2.9Å
511	V	90.2	Very high	86.5	Confident	54 Å²	54	64.3 Å²	64.3	33%	0.327	33%	0.332	S	S	.	.	H	α-helix	trans	-71.3	-53	177.1	180	0	0	0	0	109.3	D509 K513 C514 E515	D509-V511 PolarHBondContact O-N 3.36Å; D509-V511 WeakPolarHBondContact OD1-CB 3.49Å; D509-V511 PolarHBondContact OD1-N 2.89Å; V511-K513 PolarHBondContact O-N 3.4Å; V511-C514 WeakPolarHBondContact O-CB 3.3Å; V511-C514 PolarHBondContact O-N 3.32Å; V511-C514 VanDerWaalsContact O-N 3.1Å; V511-E515 PolarHBondContact O-N 3.43Å
512	A	92.3	Very high	88.5	Confident	47 Å²	47	62.7 Å²	62.7	39%	0.388	33%	0.326	S	S	.	.	H	α-helix	trans	-57.9	-39.5	175.4	0	0	0	0	0	111.6	D509 E515 S516	D509-A512 HydrophobicContact CB-CB 4.14Å; D509-A512 PolarHBondContact O-N 3.32Å; D509-A512 PolarHBondContact OD1-N 2.95Å; D509-A512 WeakPolarHBondContact OD2-CB 3.46Å; A512-E515 PolarHBondContact O-N 2.79Å; A512-S516 PolarHBondContact O-N 2.9Å
513	K	92.1	Very high	89.7	Confident	18 Å²	18	56 Å²	56	8%	0.078	31%	0.308	C	S	.	.	H	α-helix	trans	-63.3	-46	175.2	-169.3	61.4	174.3	-169.3	0	111.9	F508 D509 V511 E515 S516 V517 E550 I553 D554	F508-K513 HydrophobicContact CD2-CB 4.3Å; F508-K513 HydrophobicContact CE2-CB 4.27Å; F508-K513 HydrophobicContact CE2-CG 4.42Å; D509-K513 WeakPolarHBondContact O-CB 3.18Å; D509-K513 PolarHBondContact O-N 2.88Å; V511-K513 PolarHBondContact O-N 3.4Å; K513-E515 VanDerWaalsContact C-N 3.26Å; K513-E515 PolarHBondContact O-N 3.39Å; K513-S516 PolarHBondContact O-N 3.01Å; K513-S516 PolarHBondContact O-OG 3.46Å; K513-V517 HydrophobicContact CG-CG2 4.43Å; K513-V517 WeakPolarHBondContact O-CG2 3.49Å; K513-V517 PolarHBondContact O-N 3.16Å; K513-E550 HydrophobicContact CD-CG 3.83Å; K513-E550 WeakPolarHBondContact CD-OE1 3.35Å; K513-E550 WeakPolarHBondContact CE-OE1 3.36Å; K513-E550 HydrophobicContact CG-CG 4.46Å; K513-E550 VanDerWaalsContact NZ-CG 3.32Å; K513-E550 IonicContact NZ-OE1 3.93Å; K513-E550 PolarHBondContact NZ-OE1 3.3Å; K513-I553 HydrophobicContact CG-CG2 4.43Å; K513-D554 VanDerWaalsContact CE-OD1 3.32Å; K513-D554 WeakPolarHBondContact CE-OD1 3.4Å; K513-D554 IonicContact NZ-OD1 2.86Å; K513-D554 PolarHBondContact NZ-OD1 3.37Å; K513-D554 IonicContact NZ-OD2 3.6Å; K513-D554 PolarHBondContact NZ-OD2 3.49Å
514	C	92.7	Very high	90.4	Very high	4 Å²	4	56 Å²	56	3%	0.027	31%	0.308	C	S	.	.	H	α-helix	trans	-58.7	-37.7	176.8	-73.2	0	0	0	0	112.2	V471 L472 W510 V511 A518	V471-C514 HydrophobicContact CG1-CB 3.78Å; L472-C514 HydrophobicContact CD2-CB 3.83Å; L472-C514 HydrophobicContact CG-CB 4.33Å; W510-C514 WeakPolarHBondContact O-CB 3.48Å; W510-C514 PolarHBondContact O-N 3.36Å; W510-C514 PolarHBondContact O-SG 2.9Å; V511-C514 WeakPolarHBondContact O-CB 3.3Å; V511-C514 PolarHBondContact O-N 3.32Å; V511-C514 VanDerWaalsContact O-N 3.1Å; C514-A518 VanDerWaalsContact O-CB 3.28Å; C514-A518 WeakPolarHBondContact O-CB 3.48Å; C514-A518 PolarHBondContact O-N 2.98Å
515	E	93.5	Very high	91	Very high	94 Å²	94	50.3 Å²	50.3	44%	0.439	29%	0.285	S	S	.	.	H	α-helix	trans	-67.3	-44.4	175.7	-67.9	-168.6	157.1	0	0	112.7	V511 A512 K513 V517 A518 A519	V511-E515 PolarHBondContact O-N 3.43Å; A512-E515 PolarHBondContact O-N 2.79Å; K513-E515 VanDerWaalsContact C-N 3.26Å; K513-E515 PolarHBondContact O-N 3.39Å; E515-V517 VanDerWaalsContact C-N 3.31Å; E515-V517 PolarHBondContact O-N 2.82Å; E515-A518 WeakPolarHBondContact O-CB 3.38Å; E515-A518 PolarHBondContact O-N 2.86Å; E515-A519 PolarHBondContact O-N 3.43Å; E515-A519 VanDerWaalsContact O-N 3.13Å
516	S	94.2	Very high	91.4	Very high	49 Å²	49	48.4 Å²	48.4	34%	0.343	28%	0.276	S	S	.	.	H	α-helix	trans	-62.9	-38.8	176.2	74.1	0	0	0	0	112.1	A512 K513 A519 K520	A512-S516 PolarHBondContact O-N 2.9Å; K513-S516 PolarHBondContact O-N 3.01Å; K513-S516 PolarHBondContact O-OG 3.46Å; S516-A519 PolarHBondContact O-N 3.08Å; S516-K520 PolarHBondContact O-N 3.47Å
517	V	94.8	Very high	91.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-67.2	-42.8	175.4	172	0	0	0	0	110.6	K513 E515 A519 K520 I521 M532 W536 I553 V557	K513-V517 HydrophobicContact CG-CG2 4.43Å; K513-V517 WeakPolarHBondContact O-CG2 3.49Å; K513-V517 PolarHBondContact O-N 3.16Å; E515-V517 VanDerWaalsContact C-N 3.31Å; E515-V517 PolarHBondContact O-N 2.82Å; V517-A519 PolarHBondContact O-N 3.44Å; V517-K520 PolarHBondContact O-N 3.17Å; V517-I521 HydrophobicContact CG1-CD1 4.35Å; V517-I521 HydrophobicContact CG1-CG2 4.14Å; V517-I521 WeakPolarHBondContact O-CG1 3.45Å; V517-I521 WeakPolarHBondContact O-CG2 3.42Å; V517-I521 PolarHBondContact O-N 3.42Å; V517-I521 VanDerWaalsContact O-N 3.13Å; V517-M532 HydrophobicContact CG1-CE 3.95Å; V517-W536 HydrophobicContact CG1-CH2 3.95Å; V517-W536 HydrophobicContact CG1-CZ2 3.96Å; V517-I553 HydrophobicContact CG2-CG2 4.07Å; V517-V557 HydrophobicContact CG1-CG1 4.46Å; V517-V557 HydrophobicContact CG1-CG2 3.67Å; V517-V557 HydrophobicContact CG2-CG2 4.03Å
518	A	94.6	Very high	92.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.7	-36	177.7	0	0	0	0	0	112.5	C467 K468 C514 E515 V522	C467-A518 HydrophobicContact CB-CB 4.2Å; K468-A518 HydrophobicContact CB-CB 4.21Å; K468-A518 HydrophobicContact CG-CB 3.53Å; C514-A518 VanDerWaalsContact O-CB 3.28Å; C514-A518 WeakPolarHBondContact O-CB 3.48Å; C514-A518 PolarHBondContact O-N 2.98Å; E515-A518 WeakPolarHBondContact O-CB 3.38Å; E515-A518 PolarHBondContact O-N 2.86Å; A518-V522 WeakPolarHBondContact O-CG2 3.3Å
519	A	95.2	Very high	92.7	Very high	62 Å²	62	45.8 Å²	45.8	51%	0.512	25%	0.247	S	C	.	.	H	α-helix	trans	-66.7	-34.2	174.8	0	0	0	0	0	113.3	L464 E515 S516 V517	L464-A519 HydrophobicContact CD1-CB 4.26Å; E515-A519 PolarHBondContact O-N 3.43Å; E515-A519 VanDerWaalsContact O-N 3.13Å; S516-A519 PolarHBondContact O-N 3.08Å; V517-A519 PolarHBondContact O-N 3.44Å
520	K	94.2	Very high	92.9	Very high	111 Å²	111	41.8 Å²	41.8	48%	0.483	23%	0.228	S	C	.	.	H	α-helix	trans	-76.6	-29.3	179	-66.6	179.6	-177.5	179.1	0	113.4	S516 V517 D554 V557	S516-K520 PolarHBondContact O-N 3.47Å; V517-K520 PolarHBondContact O-N 3.17Å; K520-D554 IonicContact NZ-OD1 3.67Å; K520-V557 HydrophobicContact CB-CG1 4.45Å; K520-V557 HydrophobicContact CD-CG1 4.41Å
521	I	94.6	Very high	93.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	11.2	-171.1	68.3	-179.4	0	0	0	114.5	C467 V471 V517 G523 L524 I529 M532 V557	C467-I521 HydrophobicContact CB-CG1 4.46Å; V471-I521 HydrophobicContact CG2-CD1 3.47Å; V471-I521 VanDerWaalsContact CG2-CD1 3.47Å; V517-I521 HydrophobicContact CG1-CD1 4.35Å; V517-I521 HydrophobicContact CG1-CG2 4.14Å; V517-I521 WeakPolarHBondContact O-CG1 3.45Å; V517-I521 WeakPolarHBondContact O-CG2 3.42Å; V517-I521 PolarHBondContact O-N 3.42Å; V517-I521 VanDerWaalsContact O-N 3.13Å; I521-G523 PolarHBondContact O-N 3.03Å; I521-L524 HydrophobicContact CB-CD1 4.19Å; I521-L524 HydrophobicContact CB-CD2 4.21Å; I521-L524 HydrophobicContact CG2-CD2 4.37Å; I521-L524 WeakPolarHBondContact O-CB 3.27Å; I521-L524 WeakPolarHBondContact O-CD1 3.3Å; I521-L524 PolarHBondContact O-N 3.04Å; I521-I529 HydrophobicContact CD1-CD1 4.21Å; I521-I529 HydrophobicContact CD1-CG1 4.09Å; I521-I529 HydrophobicContact CD1-CG2 4.23Å; I521-M532 HydrophobicContact CD1-CE 3.9Å; I521-M532 HydrophobicContact CG2-CE 4.18Å; I521-M532 HydrophobicContact CG2-SD 3.94Å; I521-V557 HydrophobicContact CG2-CG1 4.13Å
522	V	92.6	Very high	93.5	Very high	81 Å²	81	39.9 Å²	39.9	49%	0.491	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	126	178.2	-179.6	0	0	0	0	109.4	L464 A518	L464-V522 HydrophobicContact CB-CG2 4.4Å; L464-V522 HydrophobicContact CD1-CG2 3.88Å; A518-V522 WeakPolarHBondContact O-CG2 3.3Å
523	G	90.7	Very high	93.5	Very high	25 Å²	25	37.6 Å²	37.6	26%	0.258	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.7	-11.9	-175.1	0	0	0	0	0	115	I521 H564	I521-G523 PolarHBondContact O-N 3.03Å; G523-H564 PolarHBondContact O-CE1 3.03Å
524	L	93.5	Very high	93.6	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	21%	0.213	C	C	.	.			trans	-73.9	147.4	174.4	-84.6	70.3	0	0	0	111.4	P462 I521 E528 I529 L561 H564	P462-L524 VanDerWaalsContact CD-O 3.31Å; P462-L524 WeakPolarHBondContact CD-O 3.48Å; P462-L524 WeakPolarHBondContact CG-O 3.32Å; I521-L524 HydrophobicContact CB-CD1 4.19Å; I521-L524 HydrophobicContact CB-CD2 4.21Å; I521-L524 HydrophobicContact CG2-CD2 4.37Å; I521-L524 WeakPolarHBondContact O-CB 3.27Å; I521-L524 WeakPolarHBondContact O-CD1 3.3Å; I521-L524 PolarHBondContact O-N 3.04Å; L524-E528 HydrophobicContact CB-CB 4.28Å; L524-E528 HydrophobicContact CD2-CB 4.23Å; L524-E528 HydrophobicContact CG-CB 4.42Å; L524-I529 HydrophobicContact CB-CG1 4.05Å; L524-L561 HydrophobicContact CD1-CD2 3.79Å; L524-H564 HydrophobicContact CG-CB 4.48Å
525	S	93.1	Very high	93.6	Very high	10 Å²	10	41 Å²	41	7%	0.07	22%	0.223	C	C	.	.			trans	-73.5	155.1	173.6	64.5	0	0	0	0	111.8	R527 E528 I529	S525-R527 PolarHBondContact O-N 2.99Å; S525-R527 VanDerWaalsContact O-N 3.14Å; S525-E528 PolarHBondContact N-OE2 2.78Å; S525-E528 WeakPolarHBondContact O-CA 3.18Å; S525-E528 WeakPolarHBondContact O-CB 3.48Å; S525-E528 PolarHBondContact O-N 2.98Å; S525-E528 VanDerWaalsContact OG-CD 3.3Å; S525-E528 WeakPolarHBondContact OG-CG 3.47Å; S525-E528 PolarHBondContact OG-N 2.8Å; S525-E528 PolarHBondContact OG-OE2 3.36Å; S525-I529 WeakPolarHBondContact O-CG1 3.37Å; S525-I529 PolarHBondContact O-N 2.94Å
526	G	92	Very high	93.7	Very high	8 Å²	8	36.6 Å²	36.6	8%	0.082	20%	0.203	C	C	.	.	H	α-helix	trans	-56.6	-33.4	178	0	0	0	0	0	114.3	G345 A530	G345-G526 CarbonylContact O-C 3.52Å; G345-G526 WeakPolarHBondContact O-CA 3.14Å; G345-G526 PolarHBondContact O-N 3.46Å; G345-G526 VanDerWaalsContact O-N 3.11Å; G526-A530 WeakPolarHBondContact O-CB 3.43Å; G526-A530 PolarHBondContact O-N 3.23Å
527	R	92.4	Very high	93.5	Very high	161 Å²	161	36 Å²	36	61%	0.608	20%	0.195	S	C	*	.	H	α-helix	trans	-67.4	-36.1	172.7	-174.5	176.8	-175.1	-170.8	0.7	112.6	G345 S525 K531	G345-R527 PolarHBondContact O-N 2.72Å; S525-R527 PolarHBondContact O-N 2.99Å; S525-R527 VanDerWaalsContact O-N 3.14Å; R527-K531 WeakPolarHBondContact O-CB 3.42Å; R527-K531 VanDerWaalsContact O-CG 3.3Å; R527-K531 WeakPolarHBondContact O-CG 3.48Å; R527-K531 PolarHBondContact O-N 3.22Å
528	E	94.1	Very high	93.3	Very high	28 Å²	28	38.8 Å²	38.8	13%	0.131	22%	0.218	C	C	.	.	H	α-helix	trans	-70.5	-43.6	177.1	-73.3	170.4	138.8	0	0	111.3	L524 S525 A530 K531 M532 H564 K567	L524-E528 HydrophobicContact CB-CB 4.28Å; L524-E528 HydrophobicContact CD2-CB 4.23Å; L524-E528 HydrophobicContact CG-CB 4.42Å; S525-E528 PolarHBondContact N-OE2 2.78Å; S525-E528 WeakPolarHBondContact O-CA 3.18Å; S525-E528 WeakPolarHBondContact O-CB 3.48Å; S525-E528 PolarHBondContact O-N 2.98Å; S525-E528 VanDerWaalsContact OG-CD 3.3Å; S525-E528 WeakPolarHBondContact OG-CG 3.47Å; S525-E528 PolarHBondContact OG-N 2.8Å; S525-E528 PolarHBondContact OG-OE2 3.36Å; E528-A530 VanDerWaalsContact C-N 3.31Å; E528-A530 PolarHBondContact O-N 3.35Å; E528-K531 PolarHBondContact O-N 2.61Å; E528-M532 WeakPolarHBondContact O-CB 3.32Å; E528-M532 PolarHBondContact O-N 3.32Å; E528-H564 IonicContact OE1-ND1 3.14Å; E528-H564 PolarHBondContact OE1-ND1 3.02Å; E528-H564 IonicContact OE2-CE1 3.07Å; E528-H564 IonicContact OE2-ND1 3.63Å; E528-H564 PolarHBondContact OE2-ND1 3.37Å; E528-H564 VanDerWaalsContact OE2-ND1 3.14Å; E528-K567 IonicContact OE1-NZ 3.39Å; E528-K567 PolarHBondContact OE1-NZ 3.36Å
529	I	94.5	Very high	93.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-57.6	-46.6	173.6	-58.3	176	0	0	0	110.1	P462 M470 V471 Y474 I521 L524 S525 K531 M532 V533	P462-I529 HydrophobicContact CG-CD1 4.04Å; M470-I529 HydrophobicContact CB-CG2 4.45Å; M470-I529 HydrophobicContact CE-CD1 4.38Å; M470-I529 HydrophobicContact SD-CD1 4.24Å; V471-I529 HydrophobicContact CG2-CG2 3.89Å; Y474-I529 HydrophobicContact CD2-CG2 4.02Å; Y474-I529 HydrophobicContact CE2-CG2 4.26Å; I521-I529 HydrophobicContact CD1-CD1 4.21Å; I521-I529 HydrophobicContact CD1-CG1 4.09Å; I521-I529 HydrophobicContact CD1-CG2 4.23Å; L524-I529 HydrophobicContact CB-CG1 4.05Å; S525-I529 WeakPolarHBondContact O-CG1 3.37Å; S525-I529 PolarHBondContact O-N 2.94Å; I529-K531 PolarHBondContact O-N 2.89Å; I529-M532 HydrophobicContact CG2-CE 4.46Å; I529-M532 WeakPolarHBondContact O-CB 3.48Å; I529-M532 PolarHBondContact O-N 2.88Å; I529-V533 WeakPolarHBondContact O-CG2 3.36Å; I529-V533 PolarHBondContact O-N 2.86Å; I529-V533 VanDerWaalsContact O-N 3.11Å
530	A	92.7	Very high	92.9	Very high	18 Å²	18	36.1 Å²	36.1	15%	0.149	20%	0.195	C	C	.	.	H	α-helix	trans	-61	-43.9	177	0	0	0	0	0	112.6	Y474 G526 E528 M532 V533 V534	Y474-A530 HydrophobicContact CD1-CB 4.45Å; Y474-A530 HydrophobicContact CD2-CB 4.36Å; Y474-A530 HydrophobicContact CE1-CB 4Å; Y474-A530 HydrophobicContact CE2-CB 3.9Å; G526-A530 WeakPolarHBondContact O-CB 3.43Å; G526-A530 PolarHBondContact O-N 3.23Å; E528-A530 VanDerWaalsContact C-N 3.31Å; E528-A530 PolarHBondContact O-N 3.35Å; A530-M532 VanDerWaalsContact C-N 3.33Å; A530-M532 PolarHBondContact O-N 3.31Å; A530-V533 PolarHBondContact O-N 3.35Å; A530-V534 VanDerWaalsContact O-CG2 3.31Å; A530-V534 WeakPolarHBondContact O-CG2 3.42Å; A530-V534 PolarHBondContact O-N 2.99Å
531	K	94.4	Very high	92.6	Very high	114 Å²	114	36.9 Å²	36.9	50%	0.496	20%	0.196	S	C	.	.	H	α-helix	trans	-63.6	-37.8	177.4	-79	178.3	175.7	-171.2	0	112.5	R527 E528 I529 V534 S535	R527-K531 WeakPolarHBondContact O-CB 3.42Å; R527-K531 VanDerWaalsContact O-CG 3.3Å; R527-K531 WeakPolarHBondContact O-CG 3.48Å; R527-K531 PolarHBondContact O-N 3.22Å; E528-K531 PolarHBondContact O-N 2.61Å; I529-K531 PolarHBondContact O-N 2.89Å; K531-V534 PolarHBondContact O-N 3.44Å; K531-S535 PolarHBondContact O-N 3.12Å
532	M	95.1	Very high	92.3	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-45.8	176.3	-179.4	-172.2	68.4	0	0	111.1	V517 I521 E528 I529 A530 V534 S535 W536 V557 A560	V517-M532 HydrophobicContact CG1-CE 3.95Å; I521-M532 HydrophobicContact CD1-CE 3.9Å; I521-M532 HydrophobicContact CG2-CE 4.18Å; I521-M532 HydrophobicContact CG2-SD 3.94Å; E528-M532 WeakPolarHBondContact O-CB 3.32Å; E528-M532 PolarHBondContact O-N 3.32Å; I529-M532 HydrophobicContact CG2-CE 4.46Å; I529-M532 WeakPolarHBondContact O-CB 3.48Å; I529-M532 PolarHBondContact O-N 2.88Å; A530-M532 VanDerWaalsContact C-N 3.33Å; A530-M532 PolarHBondContact O-N 3.31Å; M532-V534 VanDerWaalsContact C-N 3.33Å; M532-V534 PolarHBondContact O-N 2.83Å; M532-S535 PolarHBondContact O-N 3.1Å; M532-S535 VanDerWaalsContact O-N 3.11Å; M532-S535 PolarHBondContact O-OG 3.46Å; M532-W536 HydrophobicContact CE-CH2 3.92Å; M532-W536 HydrophobicContact CE-CZ2 3.6Å; M532-W536 HydrophobicContact CG-CZ2 4.04Å; M532-W536 PolarHBondContact O-N 3.32Å; M532-W536 VanDerWaalsContact O-N 3.11Å; M532-W536 HydrophobicContact SD-CZ2 4.01Å; M532-V557 HydrophobicContact SD-CB 4.35Å; M532-V557 HydrophobicContact SD-CG2 3.76Å; M532-A560 HydrophobicContact CB-CB 4.24Å; M532-A560 HydrophobicContact CG-CB 4.03Å; M532-A560 HydrophobicContact SD-CB 4.2Å
533	V	93.5	Very high	92.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.6	-36.5	177.5	-178.9	0	0	0	0	111.8	Y478 I479 I529 A530 S535 W536 Q537	Y478-V533 HydrophobicContact CD2-CG1 4.14Å; I479-V533 HydrophobicContact CD1-CG1 3.91Å; I529-V533 WeakPolarHBondContact O-CG2 3.36Å; I529-V533 PolarHBondContact O-N 2.86Å; I529-V533 VanDerWaalsContact O-N 3.11Å; A530-V533 PolarHBondContact O-N 3.35Å; V533-S535 VanDerWaalsContact C-N 3.28Å; V533-S535 PolarHBondContact O-N 3.45Å; V533-W536 HydrophobicContact CB-CE3 4.21Å; V533-W536 HydrophobicContact CB-CZ3 4.48Å; V533-W536 HydrophobicContact CG1-CE3 4Å; V533-W536 HydrophobicContact CG1-CZ3 4.4Å; V533-W536 HydrophobicContact CG2-CE3 4Å; V533-W536 HydrophobicContact CG2-CH2 4.19Å; V533-W536 HydrophobicContact CG2-CZ3 3.78Å; V533-W536 WeakPolarHBondContact O-CB 3.49Å; V533-W536 PolarHBondContact O-N 3.04Å; V533-Q537 PolarHBondContact O-N 3.16Å
534	V	92.9	Very high	91.8	Very high	58 Å²	58	46.4 Å²	46.4	35%	0.352	25%	0.247	S	C	.	.	H	α-helix	trans	-64.1	-33.9	172.9	172.7	0	0	0	0	111.5	Y478 A530 K531 M532 W536 Q537 A538	Y478-V534 HydrophobicContact CD1-CG2 4.29Å; Y478-V534 HydrophobicContact CD2-CG2 4.24Å; Y478-V534 HydrophobicContact CE1-CG2 4.15Å; Y478-V534 HydrophobicContact CE2-CG2 4.07Å; Y478-V534 HydrophobicContact CG-CG2 4.35Å; A530-V534 VanDerWaalsContact O-CG2 3.31Å; A530-V534 WeakPolarHBondContact O-CG2 3.42Å; A530-V534 PolarHBondContact O-N 2.99Å; K531-V534 PolarHBondContact O-N 3.44Å; M532-V534 VanDerWaalsContact C-N 3.33Å; M532-V534 PolarHBondContact O-N 2.83Å; V534-W536 VanDerWaalsContact C-N 3.34Å; V534-Q537 WeakPolarHBondContact O-CB 3.46Å; V534-Q537 PolarHBondContact O-N 3.4Å; V534-A538 PolarHBondContact O-N 3.4Å
535	S	93.9	Very high	91.3	Very high	35 Å²	35	52 Å²	52	25%	0.245	28%	0.277	C	S	.	.	H	α-helix	trans	-70.4	-29.6	175.6	80.1	0	0	0	0	112.6	K531 M532 V533 A538 S539	K531-S535 PolarHBondContact O-N 3.12Å; M532-S535 PolarHBondContact O-N 3.1Å; M532-S535 VanDerWaalsContact O-N 3.11Å; M532-S535 PolarHBondContact O-OG 3.46Å; V533-S535 VanDerWaalsContact C-N 3.28Å; V533-S535 PolarHBondContact O-N 3.45Å; S535-A538 PolarHBondContact O-N 3.29Å; S535-S539 WeakPolarHBondContact O-CB 3.49Å; S535-S539 PolarHBondContact O-N 3.38Å; S535-S539 PolarHBondContact O-OG 3Å
536	W	93.9	Very high	90.8	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-61.6	-48	169	-58.2	-17.5	0	0	0	111.1	V471 F475 I479 V517 M532 V533 V534 A538 S539 A540 L548 I553 R556 V557	V471-W536 HydrophobicContact CG1-CH2 4.09Å; V471-W536 HydrophobicContact CG1-CZ3 4.29Å; F475-W536 HydrophobicContact CD2-CE3 4.17Å; F475-W536 AromaticContact CD2-CZ3 3.98Å; F475-W536 HydrophobicContact CD2-CZ3 3.98Å; I479-W536 HydrophobicContact CD1-CB 4.01Å; I479-W536 HydrophobicContact CD1-CE3 3.7Å; V517-W536 HydrophobicContact CG1-CH2 3.95Å; V517-W536 HydrophobicContact CG1-CZ2 3.96Å; M532-W536 HydrophobicContact CE-CH2 3.92Å; M532-W536 HydrophobicContact CE-CZ2 3.6Å; M532-W536 HydrophobicContact CG-CZ2 4.04Å; M532-W536 PolarHBondContact O-N 3.32Å; M532-W536 VanDerWaalsContact O-N 3.11Å; M532-W536 HydrophobicContact SD-CZ2 4.01Å; V533-W536 HydrophobicContact CB-CE3 4.21Å; V533-W536 HydrophobicContact CB-CZ3 4.48Å; V533-W536 HydrophobicContact CG1-CE3 4Å; V533-W536 HydrophobicContact CG1-CZ3 4.4Å; V533-W536 HydrophobicContact CG2-CE3 4Å; V533-W536 HydrophobicContact CG2-CH2 4.19Å; V533-W536 HydrophobicContact CG2-CZ3 3.78Å; V533-W536 WeakPolarHBondContact O-CB 3.49Å; V533-W536 PolarHBondContact O-N 3.04Å; V534-W536 VanDerWaalsContact C-N 3.34Å; W536-A538 PolarHBondContact O-N 2.97Å; W536-S539 WeakPolarHBondContact O-CB 3.47Å; W536-S539 PolarHBondContact O-N 3.01Å; W536-A540 PolarHBondContact O-N 3.23Å; W536-L548 HydrophobicContact CB-CD1 4.16Å; W536-L548 HydrophobicContact CB-CD2 4.38Å; W536-I553 HydrophobicContact CD2-CG1 4.31Å; W536-I553 HydrophobicContact CD2-CG2 4.28Å; W536-I553 HydrophobicContact CG-CG1 4.39Å; W536-I553 HydrophobicContact CH2-CG2 4.14Å; W536-I553 HydrophobicContact CZ2-CG2 3.69Å; W536-I553 PolarHBondContact NE1-O 2.68Å; W536-R556 VanDerWaalsContact CD1-CB 3.43Å; W536-V557 HydrophobicContact CZ2-CG2 3.67Å
537	Q	91.1	Very high	90.6	Very high	36 Å²	36	52.9 Å²	52.9	17%	0.168	28%	0.281	C	S	.	.	H	α-helix	trans	-59.3	-46.4	176.4	-174.1	-175.1	26.5	0	0	111.6	Y478 L503 V533 V534 S539 A540 Y541	Y478-Q537 PolarHBondContact O-NE2 2.98Å; L503-Q537 HydrophobicContact CD1-CG 3.87Å; V533-Q537 PolarHBondContact O-N 3.16Å; V534-Q537 WeakPolarHBondContact O-CB 3.46Å; V534-Q537 PolarHBondContact O-N 3.4Å; Q537-S539 VanDerWaalsContact C-N 3.28Å; Q537-S539 PolarHBondContact O-N 3.37Å; Q537-A540 PolarHBondContact O-N 3.29Å; Q537-Y541 HydrophobicContact CG-CD2 3.85Å; Q537-Y541 HydrophobicContact CG-CE2 3.44Å; Q537-Y541 VanDerWaalsContact CG-CE2 3.44Å; Q537-Y541 WeakPolarHBondContact O-CD2 3.46Å; Q537-Y541 PolarHBondContact O-N 3.22Å
538	A	91.4	Very high	90.5	Very high	59 Å²	59	45.2 Å²	45.2	49%	0.488	25%	0.252	S	S	.	.	H	α-helix	trans	-61.7	-37	177	0	0	0	0	0	112.3	V534 S535 W536 Y541 A542	V534-A538 PolarHBondContact O-N 3.4Å; S535-A538 PolarHBondContact O-N 3.29Å; W536-A538 PolarHBondContact O-N 2.97Å; A538-Y541 PolarHBondContact O-N 3.26Å; A538-A542 WeakPolarHBondContact O-CB 3.3Å; A538-A542 PolarHBondContact O-N 3.23Å
539	S	91.7	Very high	90.4	Very high	6 Å²	6	46.4 Å²	46.4	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-68.1	-41.7	176.8	-55.5	0	0	0	0	111.5	S535 W536 Q537 Y541 A542 S543 M552 R556	S535-S539 WeakPolarHBondContact O-CB 3.49Å; S535-S539 PolarHBondContact O-N 3.38Å; S535-S539 PolarHBondContact O-OG 3Å; W536-S539 WeakPolarHBondContact O-CB 3.47Å; W536-S539 PolarHBondContact O-N 3.01Å; Q537-S539 VanDerWaalsContact C-N 3.28Å; Q537-S539 PolarHBondContact O-N 3.37Å; S539-Y541 VanDerWaalsContact C-N 3.33Å; S539-Y541 PolarHBondContact O-N 3.48Å; S539-A542 PolarHBondContact O-N 2.85Å; S539-S543 PolarHBondContact O-N 3.07Å; S539-M552 WeakPolarHBondContact O-CE 3.32Å; S539-R556 PolarHBondContact OG-NE 3.28Å; S539-R556 PolarHBondContact OG-NH2 3.41Å; S539-R556 VanDerWaalsContact OG-NH2 3.16Å
540	A	89.3	Confident	90.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.6	-43.1	176	0	0	0	0	0	111.6	L503 W536 Q537 A542 S543 G546 L548	L503-A540 HydrophobicContact CD1-CB 3.69Å; L503-A540 HydrophobicContact CG-CB 3.97Å; W536-A540 PolarHBondContact O-N 3.23Å; Q537-A540 PolarHBondContact O-N 3.29Å; A540-A542 VanDerWaalsContact C-N 3.33Å; A540-A542 PolarHBondContact O-N 3.16Å; A540-S543 PolarHBondContact O-N 3.01Å; A540-G546 CarbonylContact O-C 3.59Å; A540-G546 WeakPolarHBondContact O-CA 3.46Å; A540-L548 HydrophobicContact CB-CB 3.91Å; A540-L548 HydrophobicContact CB-CD1 4.2Å
541	Y	87.6	Confident	90.3	Very high	126 Å²	126	53.3 Å²	53.3	49%	0.494	30%	0.303	S	S	.	.	H	α-helix	trans	-70	-27.1	175.8	-73	-55.4	0	0	0	114.2	L503 Q537 A538 S539	L503-Y541 HydrophobicContact CB-CE1 4.06Å; L503-Y541 HydrophobicContact CD1-CE1 4.49Å; L503-Y541 HydrophobicContact CD1-CE2 4.24Å; Q537-Y541 HydrophobicContact CG-CD2 3.85Å; Q537-Y541 HydrophobicContact CG-CE2 3.44Å; Q537-Y541 VanDerWaalsContact CG-CE2 3.44Å; Q537-Y541 WeakPolarHBondContact O-CD2 3.46Å; Q537-Y541 PolarHBondContact O-N 3.22Å; A538-Y541 PolarHBondContact O-N 3.26Å; S539-Y541 VanDerWaalsContact C-N 3.33Å; S539-Y541 PolarHBondContact O-N 3.48Å
542	A	88.6	Confident	90.2	Very high	84 Å²	84	49.4 Å²	49.4	69%	0.694	29%	0.287	S	S	*	.	H	α-helix	trans	-81.9	-14.8	176.8	0	0	0	0	0	113.1	A538 S539 A540	A538-A542 WeakPolarHBondContact O-CB 3.3Å; A538-A542 PolarHBondContact O-N 3.23Å; S539-A542 PolarHBondContact O-N 2.85Å; A540-A542 VanDerWaalsContact C-N 3.33Å; A540-A542 PolarHBondContact O-N 3.16Å
543	S	88.5	Confident	90.1	Very high	39 Å²	39	49.2 Å²	49.2	27%	0.273	29%	0.286	S	S	.	.	S	Bend	trans	-74	142.8	175.6	-177.2	0	0	0	0	110.8	S539 A540 D545 G546	S539-S543 PolarHBondContact O-N 3.07Å; A540-S543 PolarHBondContact O-N 3.01Å; S543-D545 PolarHBondContact O-N 3.26Å; S543-G546 PolarHBondContact O-N 3.04Å; S543-G546 VanDerWaalsContact O-N 3.14Å
544	E	83.7	Confident	90.2	Very high	184 Å²	184	50.9 Å²	50.9	86%	0.86	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-38.4	179	-63.3	-176.6	177.2	0	0	111.8
545	D	82.1	Confident	90.3	Very high	120 Å²	120	53.3 Å²	53.3	64%	0.642	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-13.8	-177.1	-61.6	-42.3	0	0	0	113.8	S543 V547	S543-D545 PolarHBondContact O-N 3.26Å; D545-V547 HydrophobicContact CB-CB 4.26Å; D545-V547 HydrophobicContact CB-CG2 3.84Å; D545-V547 PolarHBondContact O-N 3Å
546	G	84.3	Confident	90.3	Very high	4 Å²	4	55.7 Å²	55.7	4%	0.041	31%	0.306	C	S	.	.			trans	67.2	16.8	-171	0	0	0	0	0	114.1	L503 K504 A540 S543	L503-G546 WeakPolarHBondContact CA-O 3.49Å; K504-G546 PolarHBondContact N-O 3.39Å; A540-G546 CarbonylContact O-C 3.59Å; A540-G546 WeakPolarHBondContact O-CA 3.46Å; S543-G546 PolarHBondContact O-N 3.04Å; S543-G546 VanDerWaalsContact O-N 3.14Å
547	V	87.8	Confident	90.4	Very high	31 Å²	31	55.6 Å²	55.6	19%	0.188	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.2	-176	-177.7	0	0	0	0	110.3	K504 A506 D545 T549	K504-V547 HydrophobicContact CB-CG2 3.93Å; K504-V547 HydrophobicContact CD-CG2 4.3Å; K504-V547 CarbonylContact O-C 3.59Å; K504-V547 WeakPolarHBondContact O-CA 3.36Å; A506-V547 HydrophobicContact CB-CG1 3.88Å; D545-V547 HydrophobicContact CB-CB 4.26Å; D545-V547 HydrophobicContact CB-CG2 3.84Å; D545-V547 PolarHBondContact O-N 3Å; V547-T549 HydrophobicContact CG1-CG2 4.43Å
548	L	89.9	Confident	90.6	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	114.9	169.2	-175.6	64.9	0	0	0	109.9	I479 K504 A506 W536 A540 M552 I553	I479-L548 HydrophobicContact CD1-CD2 3.82Å; I479-L548 HydrophobicContact CG1-CD2 4.35Å; I479-L548 HydrophobicContact CG2-CD2 3.92Å; K504-L548 PolarHBondContact O-N 3.4Å; A506-L548 WeakPolarHBondContact CB-O 3.48Å; A506-L548 PolarHBondContact N-O 3.36Å; W536-L548 HydrophobicContact CB-CD1 4.16Å; W536-L548 HydrophobicContact CB-CD2 4.38Å; A540-L548 HydrophobicContact CB-CB 3.91Å; A540-L548 HydrophobicContact CB-CD1 4.2Å; L548-M552 HydrophobicContact CD1-CB 4.3Å; L548-I553 HydrophobicContact CD1-CG1 4.04Å; L548-I553 HydrophobicContact CD2-CD1 4.03Å; L548-I553 HydrophobicContact CD2-CG1 4.18Å; L548-I553 HydrophobicContact CG-CD1 4.2Å; L548-I553 HydrophobicContact CG-CG1 4.11Å
549	T	91.6	Very high	90.8	Very high	53 Å²	53	58.2 Å²	58.2	33%	0.325	31%	0.309	S	S	.	.			trans	-99	161.5	176.3	64.6	0	0	0	0	112.1	A506 V547 A551 M552 I553	A506-T549 HydrophobicContact CB-CG2 4.41Å; V547-T549 HydrophobicContact CG1-CG2 4.43Å; T549-A551 VanDerWaalsContact C-N 3.34Å; T549-A551 PolarHBondContact O-N 2.94Å; T549-M552 HydrophobicContact CG2-SD 4.38Å; T549-M552 PolarHBondContact O-N 3.03Å; T549-M552 WeakPolarHBondContact OG1-CG 3.39Å; T549-M552 PolarHBondContact OG1-N 3.44Å; T549-M552 PolarHBondContact OG1-SD 2.92Å; T549-M552 VanDerWaalsContact OG1-SD 3.34Å; T549-I553 PolarHBondContact O-N 3.22Å
550	E	92.6	Very high	91	Very high	92 Å²	92	58.7 Å²	58.7	43%	0.43	31%	0.313	S	S	.	.	H	α-helix	trans	-60.9	-41.6	177.4	-168	-179	174.5	0	0	112.3	K513 M552 I553 D554	K513-E550 HydrophobicContact CD-CG 3.83Å; K513-E550 WeakPolarHBondContact CD-OE1 3.35Å; K513-E550 WeakPolarHBondContact CE-OE1 3.36Å; K513-E550 HydrophobicContact CG-CG 4.46Å; K513-E550 VanDerWaalsContact NZ-CG 3.32Å; K513-E550 IonicContact NZ-OE1 3.93Å; K513-E550 PolarHBondContact NZ-OE1 3.3Å; E550-M552 VanDerWaalsContact C-N 3.3Å; E550-M552 PolarHBondContact O-N 3.04Å; E550-I553 WeakPolarHBondContact O-CB 3.42Å; E550-I553 PolarHBondContact O-N 3.08Å; E550-I553 VanDerWaalsContact O-N 3.07Å; E550-D554 PolarHBondContact O-N 2.97Å
551	A	92.1	Very high	91.3	Very high	71 Å²	71	61.3 Å²	61.3	59%	0.587	33%	0.327	S	S	*	.	H	α-helix	trans	-60.8	-37.9	178.4	0	0	0	0	0	112.5	T549 I553 D554 Q555	T549-A551 VanDerWaalsContact C-N 3.34Å; T549-A551 PolarHBondContact O-N 2.94Å; A551-I553 VanDerWaalsContact C-N 3.33Å; A551-I553 PolarHBondContact O-N 2.95Å; A551-D554 PolarHBondContact O-N 3.06Å; A551-Q555 WeakPolarHBondContact O-CB 3.48Å; A551-Q555 PolarHBondContact O-N 3.37Å
552	M	92.5	Very high	91.6	Very high	32 Å²	32	61.7 Å²	61.7	16%	0.158	33%	0.331	C	S	.	.	H	α-helix	trans	-65.8	-36.7	175.5	-68.7	167.4	73.9	0	0	111.7	S539 L548 T549 E550 R556	S539-M552 WeakPolarHBondContact O-CE 3.32Å; L548-M552 HydrophobicContact CD1-CB 4.3Å; T549-M552 HydrophobicContact CG2-SD 4.38Å; T549-M552 PolarHBondContact O-N 3.03Å; T549-M552 WeakPolarHBondContact OG1-CG 3.39Å; T549-M552 PolarHBondContact OG1-N 3.44Å; T549-M552 PolarHBondContact OG1-SD 2.92Å; T549-M552 VanDerWaalsContact OG1-SD 3.34Å; E550-M552 VanDerWaalsContact C-N 3.3Å; E550-M552 PolarHBondContact O-N 3.04Å; M552-R556 VanDerWaalsContact O-CG 3.24Å; M552-R556 WeakPolarHBondContact O-CG 3.42Å; M552-R556 PolarHBondContact O-N 2.7Å
553	I	93.9	Very high	91.9	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-63.6	-50.4	175.5	-67.7	173.4	0	0	0	109.7	F508 K513 V517 W536 L548 T549 E550 A551 Q555 R556 V557	F508-I553 HydrophobicContact CE2-CD1 3.98Å; F508-I553 HydrophobicContact CZ-CD1 3.68Å; K513-I553 HydrophobicContact CG-CG2 4.43Å; V517-I553 HydrophobicContact CG2-CG2 4.07Å; W536-I553 HydrophobicContact CD2-CG1 4.31Å; W536-I553 HydrophobicContact CD2-CG2 4.28Å; W536-I553 HydrophobicContact CG-CG1 4.39Å; W536-I553 HydrophobicContact CH2-CG2 4.14Å; W536-I553 HydrophobicContact CZ2-CG2 3.69Å; W536-I553 PolarHBondContact NE1-O 2.68Å; L548-I553 HydrophobicContact CD1-CG1 4.04Å; L548-I553 HydrophobicContact CD2-CD1 4.03Å; L548-I553 HydrophobicContact CD2-CG1 4.18Å; L548-I553 HydrophobicContact CG-CD1 4.2Å; L548-I553 HydrophobicContact CG-CG1 4.11Å; T549-I553 PolarHBondContact O-N 3.22Å; E550-I553 WeakPolarHBondContact O-CB 3.42Å; E550-I553 PolarHBondContact O-N 3.08Å; E550-I553 VanDerWaalsContact O-N 3.07Å; A551-I553 VanDerWaalsContact C-N 3.33Å; A551-I553 PolarHBondContact O-N 2.95Å; I553-Q555 PolarHBondContact O-N 3.2Å; I553-R556 PolarHBondContact O-N 3.45Å; I553-V557 HydrophobicContact CG2-CG2 4.33Å; I553-V557 VanDerWaalsContact O-CG2 3.25Å; I553-V557 WeakPolarHBondContact O-CG2 3.41Å; I553-V557 PolarHBondContact O-N 3Å
554	D	94.7	Very high	92.1	Very high	35 Å²	35	62.4 Å²	62.4	19%	0.187	32%	0.316	C	S	.	.	H	α-helix	trans	-60.5	-45.9	-178.7	-76.9	-39.8	0	0	0	112.3	K513 K520 E550 A551 R556 V557 E558	K513-D554 VanDerWaalsContact CE-OD1 3.32Å; K513-D554 WeakPolarHBondContact CE-OD1 3.4Å; K513-D554 IonicContact NZ-OD1 2.86Å; K513-D554 PolarHBondContact NZ-OD1 3.37Å; K513-D554 IonicContact NZ-OD2 3.6Å; K513-D554 PolarHBondContact NZ-OD2 3.49Å; K520-D554 IonicContact NZ-OD1 3.67Å; E550-D554 PolarHBondContact O-N 2.97Å; A551-D554 PolarHBondContact O-N 3.06Å; D554-R556 VanDerWaalsContact C-N 3.29Å; D554-R556 PolarHBondContact O-N 3.03Å; D554-V557 WeakPolarHBondContact O-CB 3.48Å; D554-V557 PolarHBondContact O-N 2.95Å; D554-V557 VanDerWaalsContact O-N 3.13Å; D554-E558 PolarHBondContact O-N 3.38Å
555	Q	94.9	Very high	92.6	Very high	109 Å²	109	59.4 Å²	59.4	51%	0.509	30%	0.302	S	S	.	.	H	α-helix	trans	-57	-43.9	177.4	-173.5	-177.4	8.9	0	0	111.7	A551 I553 E558 D559	A551-Q555 WeakPolarHBondContact O-CB 3.48Å; A551-Q555 PolarHBondContact O-N 3.37Å; I553-Q555 PolarHBondContact O-N 3.2Å; Q555-E558 PolarHBondContact O-N 2.95Å; Q555-D559 PolarHBondContact O-N 3.03Å
556	R	94.7	Very high	93.1	Very high	84 Å²	84	58 Å²	58	32%	0.317	29%	0.292	S	S	.	.	H	α-helix	trans	-72	-29.3	179.5	-66.7	-54.5	-179.8	-174.7	2.7	113.5	W536 S539 M552 I553 D554 D559 A560	W536-R556 VanDerWaalsContact CD1-CB 3.43Å; S539-R556 PolarHBondContact OG-NE 3.28Å; S539-R556 PolarHBondContact OG-NH2 3.41Å; S539-R556 VanDerWaalsContact OG-NH2 3.16Å; M552-R556 VanDerWaalsContact O-CG 3.24Å; M552-R556 WeakPolarHBondContact O-CG 3.42Å; M552-R556 PolarHBondContact O-N 2.7Å; I553-R556 PolarHBondContact O-N 3.45Å; D554-R556 VanDerWaalsContact C-N 3.29Å; D554-R556 PolarHBondContact O-N 3.03Å; R556-D559 IonicContact NH1-OD2 2.87Å; R556-A560 WeakPolarHBondContact O-CB 3.31Å; R556-A560 PolarHBondContact O-N 2.89Å
557	V	95.8	Very high	93.4	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-66.1	-46.5	171.6	172.2	0	0	0	0	109.7	V517 K520 I521 M532 W536 I553 D554 D559 A560 L561	V517-V557 HydrophobicContact CG1-CG1 4.46Å; V517-V557 HydrophobicContact CG1-CG2 3.67Å; V517-V557 HydrophobicContact CG2-CG2 4.03Å; K520-V557 HydrophobicContact CB-CG1 4.45Å; K520-V557 HydrophobicContact CD-CG1 4.41Å; I521-V557 HydrophobicContact CG2-CG1 4.13Å; M532-V557 HydrophobicContact SD-CB 4.35Å; M532-V557 HydrophobicContact SD-CG2 3.76Å; W536-V557 HydrophobicContact CZ2-CG2 3.67Å; I553-V557 HydrophobicContact CG2-CG2 4.33Å; I553-V557 VanDerWaalsContact O-CG2 3.25Å; I553-V557 WeakPolarHBondContact O-CG2 3.41Å; I553-V557 PolarHBondContact O-N 3Å; D554-V557 WeakPolarHBondContact O-CB 3.48Å; D554-V557 PolarHBondContact O-N 2.95Å; D554-V557 VanDerWaalsContact O-N 3.13Å; V557-D559 PolarHBondContact O-N 2.81Å; V557-A560 PolarHBondContact O-N 3.48Å; V557-L561 HydrophobicContact CG1-CD1 4.19Å; V557-L561 WeakPolarHBondContact O-CG 3.33Å; V557-L561 PolarHBondContact O-N 2.8Å
558	E	95.7	Very high	93.5	Very high	101 Å²	101	63.5 Å²	63.5	47%	0.472	31%	0.314	S	S	.	.	H	α-helix	trans	-60.9	-43.8	176.6	-71.4	179.9	-166.2	0	0	112.5	D554 Q555 A560 L561 K562	D554-E558 PolarHBondContact O-N 3.38Å; Q555-E558 PolarHBondContact O-N 2.95Å; E558-A560 VanDerWaalsContact C-N 3.31Å; E558-A560 PolarHBondContact O-N 3.35Å; E558-L561 PolarHBondContact O-N 2.93Å; E558-K562 WeakPolarHBondContact O-CG 3.42Å; E558-K562 PolarHBondContact O-N 3.09Å
559	D	95.2	Very high	93.6	Very high	48 Å²	48	67.6 Å²	67.6	26%	0.257	33%	0.333	S	S	.	.	H	α-helix	trans	-58.9	-43.7	174.7	-73.1	-18	0	0	0	111.4	Q555 R556 V557 K562 Q563	Q555-D559 PolarHBondContact O-N 3.03Å; R556-D559 IonicContact NH1-OD2 2.87Å; V557-D559 PolarHBondContact O-N 2.81Å; D559-K562 PolarHBondContact O-N 3.39Å; D559-Q563 WeakPolarHBondContact O-CB 3.36Å; D559-Q563 VanDerWaalsContact O-CG 3.25Å; D559-Q563 WeakPolarHBondContact O-CG 3.4Å; D559-Q563 PolarHBondContact O-N 3.1Å
560	A	95	Very high	93.5	Very high	16 Å²	16	72 Å²	72	13%	0.132	34%	0.344	C	S	.	.	H	α-helix	trans	-64.4	-39.6	178.5	0	0	0	0	0	112.1	M532 R556 V557 E558 Q563 H564	M532-A560 HydrophobicContact CB-CB 4.24Å; M532-A560 HydrophobicContact CG-CB 4.03Å; M532-A560 HydrophobicContact SD-CB 4.2Å; R556-A560 WeakPolarHBondContact O-CB 3.31Å; R556-A560 PolarHBondContact O-N 2.89Å; V557-A560 PolarHBondContact O-N 3.48Å; E558-A560 VanDerWaalsContact C-N 3.31Å; E558-A560 PolarHBondContact O-N 3.35Å; A560-Q563 PolarHBondContact O-N 2.93Å; A560-H564 WeakPolarHBondContact O-CB 3.34Å; A560-H564 PolarHBondContact O-N 3.47Å
561	L	95.5	Very high	93.2	Very high	56 Å²	56	71.6 Å²	71.6	29%	0.293	34%	0.344	S	S	.	.	H	α-helix	trans	-65.3	-45.6	175.5	-69.6	173.9	0	0	0	111.8	L524 V557 E558 Q563 H564 H565	L524-L561 HydrophobicContact CD1-CD2 3.79Å; V557-L561 HydrophobicContact CG1-CD1 4.19Å; V557-L561 WeakPolarHBondContact O-CG 3.33Å; V557-L561 PolarHBondContact O-N 2.8Å; E558-L561 PolarHBondContact O-N 2.93Å; L561-Q563 PolarHBondContact O-N 2.99Å; L561-H564 PolarHBondContact O-N 3.11Å; L561-H565 PolarHBondContact O-N 3.28Å
562	K	95.1	Very high	93	Very high	133 Å²	133	71 Å²	71	58%	0.578	34%	0.335	S	S	*	.	H	α-helix	trans	-58.9	-46.4	175.3	-72.3	171.2	-174.3	165.5	0	111.4	E558 D559 H564 H565 Q566	E558-K562 WeakPolarHBondContact O-CG 3.42Å; E558-K562 PolarHBondContact O-N 3.09Å; D559-K562 PolarHBondContact O-N 3.39Å; K562-H564 VanDerWaalsContact C-N 3.33Å; K562-H564 PolarHBondContact O-N 2.83Å; K562-H565 PolarHBondContact O-N 3.44Å; K562-Q566 PolarHBondContact O-N 3.4Å; K562-Q566 VanDerWaalsContact O-N 3.07Å
563	Q	93.9	Very high	92.9	Very high	110 Å²	110	73.7 Å²	73.7	51%	0.514	35%	0.349	S	S	.	.	H	α-helix	trans	-63.6	-37.2	176.9	-73.4	176.9	13.1	0	0	112.8	D559 A560 L561 K567	D559-Q563 WeakPolarHBondContact O-CB 3.36Å; D559-Q563 VanDerWaalsContact O-CG 3.25Å; D559-Q563 WeakPolarHBondContact O-CG 3.4Å; D559-Q563 PolarHBondContact O-N 3.1Å; A560-Q563 PolarHBondContact O-N 2.93Å; L561-Q563 PolarHBondContact O-N 2.99Å; Q563-K567 VanDerWaalsContact O-CG 3.29Å; Q563-K567 WeakPolarHBondContact O-CG 3.41Å; Q563-K567 PolarHBondContact O-N 3.04Å; Q563-K567 VanDerWaalsContact O-N 3.16Å
564	H	93.7	Very high	92.4	Very high	29 Å²	29	78.5 Å²	78.5	13%	0.134	37%	0.371	C	S	.	.	H	α-helix	trans	-65.6	-46.1	176.5	179.3	83.8	0	0	0	111.1	G523 L524 E528 A560 L561 K562 Q566 K567 M568	G523-H564 PolarHBondContact O-CE1 3.03Å; L524-H564 HydrophobicContact CG-CB 4.48Å; E528-H564 IonicContact OE1-ND1 3.14Å; E528-H564 PolarHBondContact OE1-ND1 3.02Å; E528-H564 IonicContact OE2-CE1 3.07Å; E528-H564 IonicContact OE2-ND1 3.63Å; E528-H564 PolarHBondContact OE2-ND1 3.37Å; E528-H564 VanDerWaalsContact OE2-ND1 3.14Å; A560-H564 WeakPolarHBondContact O-CB 3.34Å; A560-H564 PolarHBondContact O-N 3.47Å; L561-H564 PolarHBondContact O-N 3.11Å; K562-H564 VanDerWaalsContact C-N 3.33Å; K562-H564 PolarHBondContact O-N 2.83Å; H564-Q566 PolarHBondContact O-N 3.34Å; H564-K567 PolarHBondContact O-N 3.49Å; H564-M568 WeakPolarHBondContact CE1-CE 3.31Å; H564-M568 WeakPolarHBondContact NE2-CE 3.41Å; H564-M568 WeakPolarHBondContact O-CG 3.42Å; H564-M568 PolarHBondContact O-N 3.43Å
565	H	93.6	Very high	91.8	Very high	120 Å²	120	85.9 Å²	85.9	56%	0.556	40%	0.396	S	S	*	.	H	α-helix	trans	-57.6	-48.4	177.3	-161.9	75.6	0	0	0	111.7	L561 K562 K567 M568 E569	L561-H565 PolarHBondContact O-N 3.28Å; K562-H565 PolarHBondContact O-N 3.44Å; H565-K567 VanDerWaalsContact C-N 3.32Å; H565-K567 PolarHBondContact O-N 3.06Å; H565-M568 WeakPolarHBondContact O-CB 3.31Å; H565-M568 PolarHBondContact O-N 2.79Å; H565-E569 IonicContact CD2-OE1 3.93Å; H565-E569 IonicContact NE2-OE1 2.87Å; H565-E569 PolarHBondContact O-N 2.78Å
566	Q	93.2	Very high	91.4	Very high	92 Å²	92	85.1 Å²	85.1	43%	0.43	40%	0.395	S	S	.	.	H	α-helix	trans	-59.5	-39.5	178	-171	177.5	29	0	0	112.9	K562 H564 E569 W570	K562-Q566 PolarHBondContact O-N 3.4Å; K562-Q566 VanDerWaalsContact O-N 3.07Å; H564-Q566 PolarHBondContact O-N 3.34Å; Q566-E569 PolarHBondContact O-N 2.92Å; Q566-W570 HydrophobicContact CG-CD2 4.36Å; Q566-W570 HydrophobicContact CG-CH2 4.17Å; Q566-W570 HydrophobicContact CG-CZ2 3.7Å; Q566-W570 PolarHBondContact O-N 3.24Å
567	K	90.7	Very high	91	Very high	68 Å²	68	87.8 Å²	87.8	30%	0.296	41%	0.409	S	S	.	.	H	α-helix	trans	-66.1	-38.9	175.1	-71.5	170.4	-164	148.2	0	112.2	E528 Q563 H564 H565 E569 W570 L571	E528-K567 IonicContact OE1-NZ 3.39Å; E528-K567 PolarHBondContact OE1-NZ 3.36Å; Q563-K567 VanDerWaalsContact O-CG 3.29Å; Q563-K567 WeakPolarHBondContact O-CG 3.41Å; Q563-K567 PolarHBondContact O-N 3.04Å; Q563-K567 VanDerWaalsContact O-N 3.16Å; H564-K567 PolarHBondContact O-N 3.49Å; H565-K567 VanDerWaalsContact C-N 3.32Å; H565-K567 PolarHBondContact O-N 3.06Å; K567-E569 VanDerWaalsContact C-N 3.33Å; K567-W570 PolarHBondContact O-N 2.87Å; K567-L571 WeakPolarHBondContact O-CG 3.43Å; K567-L571 PolarHBondContact O-N 3.19Å
568	M	88.9	Confident	90.2	Very high	82 Å²	82	91.1 Å²	91.1	40%	0.404	42%	0.424	S	S	.	.	H	α-helix	trans	-65.9	-38.2	178	-69.5	-59.2	177.6	0	0	111.5	H564 H565 L571 S572	H564-M568 WeakPolarHBondContact CE1-CE 3.31Å; H564-M568 WeakPolarHBondContact NE2-CE 3.41Å; H564-M568 WeakPolarHBondContact O-CG 3.42Å; H564-M568 PolarHBondContact O-N 3.43Å; H565-M568 WeakPolarHBondContact O-CB 3.31Å; H565-M568 PolarHBondContact O-N 2.79Å; M568-L571 PolarHBondContact O-N 3.44Å; M568-L571 HydrophobicContact SD-CD1 4.09Å; M568-S572 PolarHBondContact O-N 3.4Å
569	E	91.7	Very high	89.5	Confident	85 Å²	85	88.5 Å²	88.5	40%	0.397	42%	0.42	S	S	.	.	H	α-helix	trans	-61.8	-44.4	171.2	-68.6	-179.4	156.7	0	0	112.1	H565 Q566 K567 L571 S572 M573	H565-E569 IonicContact CD2-OE1 3.93Å; H565-E569 IonicContact NE2-OE1 2.87Å; H565-E569 PolarHBondContact O-N 2.78Å; Q566-E569 PolarHBondContact O-N 2.92Å; K567-E569 VanDerWaalsContact C-N 3.33Å; E569-L571 PolarHBondContact O-N 2.79Å; E569-S572 PolarHBondContact O-N 2.82Å; E569-S572 PolarHBondContact O-OG 3.07Å; E569-M573 HydrophobicContact CB-CE 4.08Å; E569-M573 WeakPolarHBondContact O-CB 3.39Å; E569-M573 VanDerWaalsContact O-CG 3.3Å; E569-M573 WeakPolarHBondContact O-CG 3.47Å; E569-M573 PolarHBondContact O-N 3.43Å
570	W	91	Very high	88.9	Confident	146 Å²	146	92.5 Å²	92.5	55%	0.553	44%	0.435	S	S	*	.	H	α-helix	trans	-63.5	-41.3	176.6	-67.1	-17.1	0	0	0	112.7	Q566 K567 M573 E574	Q566-W570 HydrophobicContact CG-CD2 4.36Å; Q566-W570 HydrophobicContact CG-CH2 4.17Å; Q566-W570 HydrophobicContact CG-CZ2 3.7Å; Q566-W570 PolarHBondContact O-N 3.24Å; K567-W570 PolarHBondContact O-N 2.87Å; W570-M573 PolarHBondContact O-N 2.99Å; W570-E574 WeakPolarHBondContact O-CB 3.37Å; W570-E574 PolarHBondContact O-N 3.22Å
571	L	85.9	Confident	88.1	Confident	84 Å²	84	97 Å²	97	44%	0.44	46%	0.455	S	S	.	.	H	α-helix	trans	-64	-40	176.1	-74.9	168.1	0	0	0	112	K567 M568 E569 E574 R575	K567-L571 WeakPolarHBondContact O-CG 3.43Å; K567-L571 PolarHBondContact O-N 3.19Å; M568-L571 PolarHBondContact O-N 3.44Å; M568-L571 HydrophobicContact SD-CD1 4.09Å; E569-L571 PolarHBondContact O-N 2.79Å; L571-E574 PolarHBondContact O-N 3.45Å; L571-R575 WeakPolarHBondContact O-CG 3.18Å; L571-R575 PolarHBondContact O-N 3.47Å
572	S	87.8	Confident	87.2	Confident	57 Å²	57	99.7 Å²	99.7	40%	0.399	47%	0.469	S	S	.	.	H	α-helix	trans	-67.6	-42.6	177	74.2	0	0	0	0	111.3	M568 E569 E574 R575 I576	M568-S572 PolarHBondContact O-N 3.4Å; E569-S572 PolarHBondContact O-N 2.82Å; E569-S572 PolarHBondContact O-OG 3.07Å; S572-E574 VanDerWaalsContact C-N 3.33Å; S572-E574 PolarHBondContact O-N 3.09Å; S572-R575 PolarHBondContact O-N 2.84Å; S572-I576 VanDerWaalsContact O-CG1 3.27Å; S572-I576 WeakPolarHBondContact O-CG1 3.4Å; S572-I576 PolarHBondContact O-N 3.19Å
573	M	89.6	Confident	86.4	Confident	89 Å²	89	98.8 Å²	98.8	44%	0.438	47%	0.471	S	S	.	.	H	α-helix	trans	-60.4	-41	173.8	-72.8	-174.7	-133.7	0	0	112.1	E569 W570 I576 K577	E569-M573 HydrophobicContact CB-CE 4.08Å; E569-M573 WeakPolarHBondContact O-CB 3.39Å; E569-M573 VanDerWaalsContact O-CG 3.3Å; E569-M573 WeakPolarHBondContact O-CG 3.47Å; E569-M573 PolarHBondContact O-N 3.43Å; W570-M573 PolarHBondContact O-N 2.99Å; M573-I576 PolarHBondContact O-N 3.02Å; M573-K577 WeakPolarHBondContact O-CB 3.27Å; M573-K577 VanDerWaalsContact O-CG 3.3Å; M573-K577 WeakPolarHBondContact O-CG 3.24Å; M573-K577 PolarHBondContact O-N 3.35Å
574	E	84.9	Confident	85.6	Confident	104 Å²	104	99.7 Å²	99.7	49%	0.486	48%	0.475	S	S	.	.	H	α-helix	trans	-65.8	-43.2	177.9	-168.7	174.7	-178.1	0	0	111.7	W570 L571 S572 I576 K577 Q578	W570-E574 WeakPolarHBondContact O-CB 3.37Å; W570-E574 PolarHBondContact O-N 3.22Å; L571-E574 PolarHBondContact O-N 3.45Å; S572-E574 VanDerWaalsContact C-N 3.33Å; S572-E574 PolarHBondContact O-N 3.09Å; E574-I576 VanDerWaalsContact C-N 3.35Å; E574-I576 PolarHBondContact O-N 3.02Å; E574-K577 PolarHBondContact O-N 3.34Å; E574-Q578 WeakPolarHBondContact O-CG 3.35Å; E574-Q578 PolarHBondContact O-N 3.29Å
575	R	81.8	Confident	84.7	Confident	189 Å²	189	103.1 Å²	103.1	71%	0.713	50%	0.498	S	S	*	.	H	α-helix	trans	-60.4	-43.1	173.8	-73.9	177.5	178.4	-178.5	-0.2	112.1	L571 S572 Q578 A579	L571-R575 WeakPolarHBondContact O-CG 3.18Å; L571-R575 PolarHBondContact O-N 3.47Å; S572-R575 PolarHBondContact O-N 2.84Å; R575-Q578 PolarHBondContact O-N 2.93Å; R575-A579 WeakPolarHBondContact O-CB 3.44Å; R575-A579 PolarHBondContact O-N 3.46Å
576	I	86.7	Confident	83.8	Confident	93 Å²	93	104 Å²	104	48%	0.477	50%	0.5	S	S	.	.	H	α-helix	trans	-63.7	-43.1	176.4	-67.8	164.6	0	0	0	110.6	S572 M573 E574 A579 K580	S572-I576 VanDerWaalsContact O-CG1 3.27Å; S572-I576 WeakPolarHBondContact O-CG1 3.4Å; S572-I576 PolarHBondContact O-N 3.19Å; M573-I576 PolarHBondContact O-N 3.02Å; E574-I576 VanDerWaalsContact C-N 3.35Å; E574-I576 PolarHBondContact O-N 3.02Å; I576-A579 PolarHBondContact O-N 2.81Å; I576-K580 HydrophobicContact CG2-CD 4.26Å; I576-K580 HydrophobicContact CG2-CG 4.48Å; I576-K580 WeakPolarHBondContact O-CB 3.39Å; I576-K580 WeakPolarHBondContact O-CG 3.46Å; I576-K580 PolarHBondContact O-N 3.42Å
577	K	86.1	Confident	82.9	Confident	140 Å²	140	106.3 Å²	106.3	61%	0.609	51%	0.509	S	S	*	.	H	α-helix	trans	-61.9	-44.1	175.7	-75.9	175.5	-178.5	-180	0	111.7	M573 E574 K580 M581	M573-K577 WeakPolarHBondContact O-CB 3.27Å; M573-K577 VanDerWaalsContact O-CG 3.3Å; M573-K577 WeakPolarHBondContact O-CG 3.24Å; M573-K577 PolarHBondContact O-N 3.35Å; E574-K577 PolarHBondContact O-N 3.34Å; K577-K580 PolarHBondContact O-N 2.9Å; K577-M581 WeakPolarHBondContact O-CG 3.39Å; K577-M581 PolarHBondContact O-N 2.97Å
578	Q	78	Confident	82.3	Confident	71 Å²	71	107.5 Å²	107.5	33%	0.332	52%	0.522	S	S	.	.	H	α-helix	trans	-62.8	-42.6	176	-72	178.2	8.7	0	0	111.9	E574 R575 M581 N582	E574-Q578 WeakPolarHBondContact O-CG 3.35Å; E574-Q578 PolarHBondContact O-N 3.29Å; R575-Q578 PolarHBondContact O-N 2.93Å; Q578-M581 HydrophobicContact CG-CE 4.45Å; Q578-M581 PolarHBondContact O-N 2.99Å; Q578-N582 WeakPolarHBondContact O-CB 3.49Å; Q578-N582 VanDerWaalsContact O-CG 3.24Å; Q578-N582 PolarHBondContact O-N 3.34Å
579	A	80.7	Confident	81.6	Confident	47 Å²	47	109.8 Å²	109.8	39%	0.388	53%	0.53	S	S	.	.	H	α-helix	trans	-63.3	-42.2	175.1	0	0	0	0	0	112.1	R575 I576 N582 N583	R575-A579 WeakPolarHBondContact O-CB 3.44Å; R575-A579 PolarHBondContact O-N 3.46Å; I576-A579 PolarHBondContact O-N 2.81Å; A579-N582 PolarHBondContact O-N 3.23Å; A579-N583 WeakPolarHBondContact O-CB 3.38Å; A579-N583 VanDerWaalsContact O-CG 3.31Å; A579-N583 PolarHBondContact O-N 3.37Å
580	K	83.9	Confident	80.9	Confident	132 Å²	132	110.5 Å²	110.5	57%	0.574	53%	0.532	S	S	*	.	H	α-helix	trans	-63	-45.2	174.7	-75.8	-177.5	178.9	-173.4	0	112	I576 K577 N582 N583 E584	I576-K580 HydrophobicContact CG2-CD 4.26Å; I576-K580 HydrophobicContact CG2-CG 4.48Å; I576-K580 WeakPolarHBondContact O-CB 3.39Å; I576-K580 WeakPolarHBondContact O-CG 3.46Å; I576-K580 PolarHBondContact O-N 3.42Å; K577-K580 PolarHBondContact O-N 2.9Å; K580-N582 VanDerWaalsContact C-N 3.35Å; K580-N582 PolarHBondContact O-N 3.45Å; K580-N583 PolarHBondContact O-N 3.21Å; K580-E584 WeakPolarHBondContact O-CB 3.42Å; K580-E584 WeakPolarHBondContact O-CG 3.21Å; K580-E584 PolarHBondContact O-N 2.95Å
581	M	77.3	Confident	80.2	Confident	109 Å²	109	110.6 Å²	110.6	54%	0.537	54%	0.536	S	S	.	.	H	α-helix	trans	-61.6	-42.7	176.2	-73	-165.8	-55.9	0	0	111.8	K577 Q578 N583 E584 V585	K577-M581 WeakPolarHBondContact O-CG 3.39Å; K577-M581 PolarHBondContact O-N 2.97Å; Q578-M581 HydrophobicContact CG-CE 4.45Å; Q578-M581 PolarHBondContact O-N 2.99Å; M581-N583 VanDerWaalsContact C-N 3.31Å; M581-N583 PolarHBondContact O-N 2.9Å; M581-E584 PolarHBondContact O-N 3.5Å; M581-V585 WeakPolarHBondContact O-CB 3.35Å; M581-V585 WeakPolarHBondContact O-CG2 3.5Å; M581-V585 PolarHBondContact O-N 3.02Å
582	N	76.7	Confident	79.7	Confident	113 Å²	113	113.1 Å²	113.1	60%	0.604	54%	0.544	S	S	*	.	H	α-helix	trans	-62.1	-40.6	176.3	-70.4	-11.9	0	0	0	111.5	Q578 A579 K580 F586	Q578-N582 WeakPolarHBondContact O-CB 3.49Å; Q578-N582 VanDerWaalsContact O-CG 3.24Å; Q578-N582 PolarHBondContact O-N 3.34Å; A579-N582 PolarHBondContact O-N 3.23Å; K580-N582 VanDerWaalsContact C-N 3.35Å; K580-N582 PolarHBondContact O-N 3.45Å; N582-F586 WeakPolarHBondContact O-CB 3.15Å; N582-F586 PolarHBondContact O-N 3.43Å
583	N	79.5	Confident	78.9	Confident	114 Å²	114	114.1 Å²	114.1	61%	0.61	54%	0.544	S	S	*	.	H	α-helix	trans	-69.5	-39.9	176.4	-72.9	-7.8	0	0	0	112.8	A579 K580 M581 F586 F587	A579-N583 WeakPolarHBondContact O-CB 3.38Å; A579-N583 VanDerWaalsContact O-CG 3.31Å; A579-N583 PolarHBondContact O-N 3.37Å; K580-N583 PolarHBondContact O-N 3.21Å; M581-N583 VanDerWaalsContact C-N 3.31Å; M581-N583 PolarHBondContact O-N 2.9Å; N583-F586 WeakPolarHBondContact O-CB 3.44Å; N583-F586 PolarHBondContact O-N 2.97Å; N583-F587 WeakPolarHBondContact O-CB 3.34Å; N583-F587 PolarHBondContact O-N 3.34Å
584	E	77	Confident	78	Confident	130 Å²	130	116 Å²	116	61%	0.607	55%	0.55	S	S	*	*	H	α-helix	trans	-67.2	-42.8	176.2	-78.9	-176.3	-179	0	0	111.6	K580 M581 F586 F587 V588	K580-E584 WeakPolarHBondContact O-CB 3.42Å; K580-E584 WeakPolarHBondContact O-CG 3.21Å; K580-E584 PolarHBondContact O-N 2.95Å; M581-E584 PolarHBondContact O-N 3.5Å; E584-F586 VanDerWaalsContact C-N 3.28Å; E584-F586 PolarHBondContact O-N 3.39Å; E584-F587 PolarHBondContact O-N 3.05Å; E584-F587 VanDerWaalsContact O-N 3.16Å; E584-V588 WeakPolarHBondContact O-CB 3.49Å; E584-V588 VanDerWaalsContact O-CG2 3.3Å; E584-V588 WeakPolarHBondContact O-CG2 3.46Å; E584-V588 PolarHBondContact O-N 2.92Å
585	V	74.7	Confident	77.1	Confident	100 Å²	100	115.3 Å²	115.3	61%	0.606	56%	0.556	S	S	*	*	H	α-helix	trans	-59.7	-43.2	173.5	171.2	0	0	0	0	110	M581 F589	M581-V585 WeakPolarHBondContact O-CB 3.35Å; M581-V585 WeakPolarHBondContact O-CG2 3.5Å; M581-V585 PolarHBondContact O-N 3.02Å; V585-F589 WeakPolarHBondContact O-CB 3.34Å; V585-F589 PolarHBondContact O-N 3.42Å
586	F	73.2	Confident	76.1	Confident	138 Å²	138	111.5 Å²	111.5	61%	0.605	55%	0.55	S	S	*	.	H	α-helix	trans	-62.3	-43	174.6	-170.3	-96.4	0	0	0	112	N582 N583 E584 F589 F590	N582-F586 WeakPolarHBondContact O-CB 3.15Å; N582-F586 PolarHBondContact O-N 3.43Å; N583-F586 WeakPolarHBondContact O-CB 3.44Å; N583-F586 PolarHBondContact O-N 2.97Å; E584-F586 VanDerWaalsContact C-N 3.28Å; E584-F586 PolarHBondContact O-N 3.39Å; F586-F589 PolarHBondContact O-N 2.87Å; F586-F590 VanDerWaalsContact O-CB 3.3Å; F586-F590 WeakPolarHBondContact O-CB 3.48Å; F586-F590 PolarHBondContact O-N 3.27Å
587	F	75.8	Confident	74.5	Confident	141 Å²	141	114.5 Å²	114.5	62%	0.618	57%	0.567	S	S	*	*	H	α-helix	trans	-68.1	-42	179.3	-168.8	-96.3	0	0	0	112.6	N583 E584 F590 K591	N583-F587 WeakPolarHBondContact O-CB 3.34Å; N583-F587 PolarHBondContact O-N 3.34Å; E584-F587 PolarHBondContact O-N 3.05Å; E584-F587 VanDerWaalsContact O-N 3.16Å; F587-F590 PolarHBondContact O-N 3.23Å; F587-K591 WeakPolarHBondContact O-CB 3.45Å; F587-K591 PolarHBondContact O-N 3.05Å
588	V	77	Confident	72.9	Confident	94 Å²	94	118.2 Å²	118.2	57%	0.57	58%	0.578	S	S	*	*	H	α-helix	trans	-64.5	-43.1	174.9	171.2	0	0	0	0	110.3	E584 K591 K592	E584-V588 WeakPolarHBondContact O-CB 3.49Å; E584-V588 VanDerWaalsContact O-CG2 3.3Å; E584-V588 WeakPolarHBondContact O-CG2 3.46Å; E584-V588 PolarHBondContact O-N 2.92Å; V588-K591 PolarHBondContact O-N 3.33Å; V588-K592 VanDerWaalsContact O-CB 3.32Å; V588-K592 WeakPolarHBondContact O-CB 3.39Å; V588-K592 PolarHBondContact O-N 2.87Å
589	F	75.1	Confident	71.4	Confident	129 Å²	129	120 Å²	120	57%	0.566	59%	0.594	S	S	*	*	H	α-helix	trans	-60.7	-45.3	174.7	-175.3	-104.5	0	0	0	111.4	V585 F586 K592 L593	V585-F589 WeakPolarHBondContact O-CB 3.34Å; V585-F589 PolarHBondContact O-N 3.42Å; F586-F589 PolarHBondContact O-N 2.87Å; F589-K592 PolarHBondContact O-N 3.06Å; F589-L593 HydrophobicContact CD1-CD1 3.66Å; F589-L593 HydrophobicContact CD1-CG 4.49Å; F589-L593 HydrophobicContact CE1-CD1 3.32Å; F589-L593 HydrophobicContact CE1-CG 4.24Å; F589-L593 HydrophobicContact CG-CD1 4.49Å; F589-L593 HydrophobicContact CZ-CD1 3.9Å; F589-L593 HydrophobicContact CZ-CG 4.42Å; F589-L593 WeakPolarHBondContact O-CB 3.49Å; F589-L593 WeakPolarHBondContact O-CG 3.18Å; F589-L593 PolarHBondContact O-N 3.18Å
590	F	76.2	Confident	69.7	Low	101 Å²	101	120.7 Å²	120.7	44%	0.443	61%	0.606	S	S	.	*	H	α-helix	trans	-67.2	-38.1	178.2	-158.5	-98.9	0	0	0	112.7	F586 F587 L593 K594	F586-F590 VanDerWaalsContact O-CB 3.3Å; F586-F590 WeakPolarHBondContact O-CB 3.48Å; F586-F590 PolarHBondContact O-N 3.27Å; F587-F590 PolarHBondContact O-N 3.23Å; F590-L593 PolarHBondContact O-N 3.08Å; F590-K594 HydrophobicContact CD1-CD 4.25Å; F590-K594 HydrophobicContact CD1-CG 4.48Å; F590-K594 HydrophobicContact CE1-CD 4.1Å; F590-K594 HydrophobicContact CE1-CG 4.41Å; F590-K594 PolarHBondContact O-N 3.34Å
591	K	77.3	Confident	68	Low	147 Å²	147	122.2 Å²	122.2	64%	0.639	62%	0.62	S	S	*	*	H	α-helix	trans	-67.3	-38.3	174.9	-167.8	176.2	-178.7	179.5	0	111.4	F587 V588 K594 S595	F587-K591 WeakPolarHBondContact O-CB 3.45Å; F587-K591 PolarHBondContact O-N 3.05Å; V588-K591 PolarHBondContact O-N 3.33Å; K591-K594 PolarHBondContact O-N 2.72Å; K591-S595 PolarHBondContact O-N 3.29Å
592	K	73.9	Confident	66.4	Low	138 Å²	138	125.1 Å²	125.1	60%	0.6	64%	0.637	S	S	*	*	H	α-helix	trans	-67.5	-41	175.6	-160.2	166.9	-174.6	177.1	0	111.3	V588 F589 S595 L596	V588-K592 VanDerWaalsContact O-CB 3.32Å; V588-K592 WeakPolarHBondContact O-CB 3.39Å; V588-K592 PolarHBondContact O-N 2.87Å; F589-K592 PolarHBondContact O-N 3.06Å; K592-S595 WeakPolarHBondContact CA-OG 3.46Å; K592-S595 PolarHBondContact O-N 3.39Å; K592-S595 PolarHBondContact O-OG 3.33Å; K592-L596 HydrophobicContact CG-CD1 4.3Å; K592-L596 PolarHBondContact O-N 3.12Å
593	L	71.3	Confident	64.6	Low	77 Å²	77	129.2 Å²	129.2	40%	0.403	65%	0.652	S	S	.	*	H	α-helix	trans	-62	-39.1	170.7	-80.2	170.1	0	0	0	112.7	F589 F590	F589-L593 HydrophobicContact CD1-CD1 3.66Å; F589-L593 HydrophobicContact CD1-CG 4.49Å; F589-L593 HydrophobicContact CE1-CD1 3.32Å; F589-L593 HydrophobicContact CE1-CG 4.24Å; F589-L593 HydrophobicContact CG-CD1 4.49Å; F589-L593 HydrophobicContact CZ-CD1 3.9Å; F589-L593 HydrophobicContact CZ-CG 4.42Å; F589-L593 WeakPolarHBondContact O-CB 3.49Å; F589-L593 WeakPolarHBondContact O-CG 3.18Å; F589-L593 PolarHBondContact O-N 3.18Å; F590-L593 PolarHBondContact O-N 3.08Å
594	K	70.6	Confident	62.6	Low	130 Å²	130	137 Å²	137	57%	0.565	68%	0.68	S	S	*	*	H	α-helix	trans	-67.4	-33.9	173.1	-84.5	-174.2	168.2	179.8	0	113.2	F590 K591 V599	F590-K594 HydrophobicContact CD1-CD 4.25Å; F590-K594 HydrophobicContact CD1-CG 4.48Å; F590-K594 HydrophobicContact CE1-CD 4.1Å; F590-K594 HydrophobicContact CE1-CG 4.41Å; F590-K594 PolarHBondContact O-N 3.34Å; K591-K594 PolarHBondContact O-N 2.72Å; K594-V599 HydrophobicContact CG-CG2 4.37Å
595	S	66.4	Low	61.8	Low	88 Å²	88	137.3 Å²	137.3	62%	0.615	68%	0.684	S	S	*	*	H	α-helix	trans	-76.1	-28.2	179.2	71.6	0	0	0	0	113.7	K591 K592 N597	K591-S595 PolarHBondContact O-N 3.29Å; K592-S595 WeakPolarHBondContact CA-OG 3.46Å; K592-S595 PolarHBondContact O-N 3.39Å; K592-S595 PolarHBondContact O-OG 3.33Å; S595-N597 PolarHBondContact O-N 3.29Å
596	L	61.1	Low	61.2	Low	109 Å²	109	139.3 Å²	139.3	57%	0.571	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	89.1	171	-73.2	158.6	0	0	0	106.7	K592 Y598	K592-L596 HydrophobicContact CG-CD1 4.3Å; K592-L596 PolarHBondContact O-N 3.12Å; L596-Y598 VanDerWaalsContact C-N 3.26Å; L596-Y598 PolarHBondContact O-N 2.88Å
597	N	53	Low	60.5	Low	157 Å²	157	139.3 Å²	139.3	84%	0.84	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-36	77.5	180	-84.2	-26.7	0	0	0	115.4	S595	S595-N597 PolarHBondContact O-N 3.29Å
598	Y	53.1	Low	59.6	Low	217 Å²	217	139.2 Å²	139.2	85%	0.851	70%	0.697	S	S	*	*			trans	-140.6	46.9	175.1	-112.8	-84.3	0	0	0	107.6	L596	L596-Y598 VanDerWaalsContact C-N 3.26Å; L596-Y598 PolarHBondContact O-N 2.88Å
599	V	46.4	Very low	58.5	Low	110 Å²	110	142.1 Å²	142.1	67%	0.667	71%	0.705	S	S	*	*			trans	-120.4	66.7	166.9	-169.9	0	0	0	0	107.2	K594	K594-V599 HydrophobicContact CG-CG2 4.37Å
600	G	44.6	Very low	57.4	Low	61 Å²	61	142.9 Å²	142.9	63%	0.629	71%	0.714	S	S	*	*	S	Bend	trans	-104.3	119.4	155.9	0	0	0	0	0	107.8
601	N	49.1	Very low	56.1	Low	164 Å²	164	145.9 Å²	145.9	88%	0.877	73%	0.733	S	S	*	*	S	Bend	trans	68.5	55.7	162.5	-63.2	-20.4	0	0	0	119.7
602	L	43.3	Very low	54.4	Low	170 Å²	170	145.8 Å²	145.8	89%	0.89	74%	0.741	S	S	*	*			trans	-129	68.7	153.4	-92.3	122.3	0	0	0	110.3
603	H	38.1	Very low	52.8	Low	199 Å²	199	146.5 Å²	146.5	92%	0.921	75%	0.752	S	S	*	*			trans	-125.3	80.8	158.5	-117.7	-45.1	0	0	0	106.9
604	K	36.8	Very low	51.1	Low	276 Å²	276	152.8 Å²	152.8	100%	1.2	78%	0.784	S	S	*	*			trans	-157.3	0	157.3	-101.5	-173	-176	-178.2	0	108.1

Retrieved 604 of 604 residues in 393.4 ms (Link to these results)

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