A0A5K4F845_SCHMA Loading...

Neprilysin-1-like

AlphaFold DB , UniProt , Accession A0A5K4F845, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 715 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	31.2	Very low	30.8	Very low	246 Å²	246	142.2 Å²	142.2	100%	1.212	80%	0.802	S	S	*	*				0	122.2	0	-84.1	171.3	177.7	0	0	108.1
2	S	25.1	Very low	31.3	Very low	105 Å²	105	147.2 Å²	147.2	73%	0.734	80%	0.799	S	S	*	*			trans	-65.8	138.8	173.9	24.5	0	0	0	0	111.6
3	F	27.3	Very low	32.3	Very low	196 Å²	196	144.6 Å²	144.6	86%	0.86	78%	0.782	S	S	*	*				162	125.7	125.9	-97	-79	0	0	0	112
4	S	25.3	Very low	33.4	Very low	97 Å²	97	140.9 Å²	140.9	68%	0.678	77%	0.772	S	S	*	*			trans	55.5	96.1	142.2	177.4	0	0	0	0	120
5	F	28.5	Very low	33.8	Very low	209 Å²	209	144.5 Å²	144.5	92%	0.917	77%	0.77	S	S	*	*			trans	-144	96.6	139.7	-96.8	-84.6	0	0	0	108.9
6	G	30.8	Very low	34.4	Very low	75 Å²	75	146.6 Å²	146.6	77%	0.773	77%	0.765	S	S	*	*			trans	-150.3	23.9	-175.6	0	0	0	0	0	114.7
7	S	31.6	Very low	35.1	Very low	97 Å²	97	143.4 Å²	143.4	68%	0.678	75%	0.753	S	S	*	*	S	Bend	trans	-111.6	8.9	-179.8	48	0	0	0	0	114.4
8	F	32.8	Very low	35.4	Very low	185 Å²	185	139 Å²	139	81%	0.811	74%	0.741	S	S	*	*	S	Bend	trans	-102.1	2.2	-176.1	-100.5	-82.8	0	0	0	116.7
9	L	34.9	Very low	35.7	Very low	148 Å²	148	137.2 Å²	137.2	78%	0.775	73%	0.73	S	S	*	*	S	Bend	trans	-107.2	-9	-177.5	-95.1	145.4	0	0	0	116.1	G11	L9-G11 VanDerWaalsContact C-N 3.33Å; L9-G11 PolarHBondContact O-N 3.43Å
10	L	35.2	Very low	36.1	Very low	146 Å²	146	135.8 Å²	135.8	76%	0.764	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-13.6	176.2	-80.6	159.5	0	0	0	114	R12	L10-R12 PolarHBondContact O-N 3.38Å
11	G	36.2	Very low	36	Very low	60 Å²	60	137.4 Å²	137.4	62%	0.619	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-15.7	-179.9	0	0	0	0	0	115.5	L9	L9-G11 VanDerWaalsContact C-N 3.33Å; L9-G11 PolarHBondContact O-N 3.43Å
12	R	37.4	Very low	36.2	Very low	202 Å²	202	130.9 Å²	130.9	76%	0.762	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-19.6	-176.9	-76	-170.1	175.1	-171.1	-0.6	114.6	L10	L10-R12 PolarHBondContact O-N 3.38Å
13	I	43.9	Very low	36.6	Very low	114 Å²	114	132.9 Å²	132.9	59%	0.585	70%	0.703	S	S	*	*	H	α-helix	trans	-74.3	-30.9	-179.4	-61.3	175.5	0	0	0	111.2	R15 Y16	I13-R15 VanDerWaalsContact C-N 3.27Å; I13-R15 PolarHBondContact O-N 2.68Å; I13-Y16 PolarHBondContact O-N 3.05Å
14	S	47	Very low	36.8	Very low	92 Å²	92	128.7 Å²	128.7	64%	0.643	70%	0.698	S	S	*	*	H	α-helix	trans	-65.3	-24.4	178.6	175.4	0	0	0	0	114.1
15	R	39.4	Very low	36.9	Very low	196 Å²	196	129.4 Å²	129.4	74%	0.74	70%	0.702	S	S	*	*	H	α-helix	trans	-81.5	-27.1	179.5	-76.4	-172.3	175.7	-174.2	-1.4	114.1	I13	I13-R15 VanDerWaalsContact C-N 3.27Å; I13-R15 PolarHBondContact O-N 2.68Å
16	Y	43.8	Very low	36.9	Very low	177 Å²	177	124.7 Å²	124.7	69%	0.694	69%	0.694	S	S	*	*	H	α-helix	trans	-77.9	-31.3	179.8	-81	-80.9	0	0	0	112.4	I13 A18 I19 V20	I13-Y16 PolarHBondContact O-N 3.05Å; Y16-A18 VanDerWaalsContact C-N 3.29Å; Y16-A18 PolarHBondContact O-N 3.35Å; Y16-I19 PolarHBondContact O-N 3.47Å; Y16-V20 PolarHBondContact O-N 2.04Å
17	V	45.7	Very low	36.9	Very low	92 Å²	92	130.8 Å²	130.8	56%	0.558	70%	0.695	S	S	*	*	H	α-helix	trans	-66.7	-31	176.2	-178.5	0	0	0	0	111.8
18	A	41.8	Very low	36.8	Very low	65 Å²	65	135.2 Å²	135.2	54%	0.537	71%	0.705	S	S	.	*	H	α-helix	trans	-75.4	-24.9	177.9	0	0	0	0	0	113.8	Y16	Y16-A18 VanDerWaalsContact C-N 3.29Å; Y16-A18 PolarHBondContact O-N 3.35Å
19	I	40.4	Very low	36.6	Very low	104 Å²	104	134.3 Å²	134.3	53%	0.533	70%	0.701	S	S	.	*	H	α-helix	trans	-82.4	-29.9	-177.8	-66.2	173.1	0	0	0	111.5	Y16 F21 V22	Y16-I19 PolarHBondContact O-N 3.47Å; I19-F21 VanDerWaalsContact C-N 3.26Å; I19-F21 PolarHBondContact O-N 2.92Å; I19-V22 PolarHBondContact O-N 2.81Å
20	V	43.2	Very low	36.1	Very low	110 Å²	110	133.3 Å²	133.3	67%	0.667	70%	0.7	S	S	*	*	H	α-helix	trans	-67.1	-29.4	176.9	178.4	0	0	0	0	111.7	Y16 V22	Y16-V20 PolarHBondContact O-N 2.04Å; V20-V22 VanDerWaalsContact C-N 3.29Å; V20-V22 PolarHBondContact O-N 3.32Å
21	F	35.7	Very low	35.9	Very low	169 Å²	169	132.6 Å²	132.6	74%	0.741	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-16.2	178.7	-98.4	-82.7	0	0	0	115.2	I19	I19-F21 VanDerWaalsContact C-N 3.26Å; I19-F21 PolarHBondContact O-N 2.92Å
22	V	33.7	Very low	35.5	Very low	110 Å²	110	135.7 Å²	135.7	67%	0.667	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-18.2	-176.4	-179.5	0	0	0	0	112.8	I19 V20	I19-V22 PolarHBondContact O-N 2.81Å; V20-V22 VanDerWaalsContact C-N 3.29Å; V20-V22 PolarHBondContact O-N 3.32Å
23	L	33.6	Very low	35	Very low	147 Å²	147	131.4 Å²	131.4	77%	0.77	70%	0.701	S	S	*	*	S	Bend	trans	-105.2	3.9	-173.9	-72.6	171.9	0	0	0	115.5
24	S	32.3	Very low	34.4	Very low	108 Å²	108	135 Å²	135	76%	0.755	72%	0.715	S	S	*	*	S	Bend	trans	-94.7	9.1	174.1	-158.2	0	0	0	0	114.5	C26	S24-C26 VanDerWaalsContact C-N 3.35Å; S24-C26 PolarHBondContact O-N 3.41Å
25	C	27.7	Very low	33.6	Very low	112 Å²	112	137.4 Å²	137.4	76%	0.757	72%	0.721	S	S	*	*	S	Bend	trans	-86.7	10.7	178.8	-76.8	0	0	0	0	115.2
26	C	27.6	Very low	33.2	Very low	109 Å²	109	132.7 Å²	132.7	74%	0.736	72%	0.724	S	S	*	*			trans	-143.3	94.4	178.2	-63.3	0	0	0	0	110.3	S24	S24-C26 VanDerWaalsContact C-N 3.35Å; S24-C26 PolarHBondContact O-N 3.41Å
27	Y	30.9	Very low	32.4	Very low	203 Å²	203	135.2 Å²	135.2	80%	0.796	73%	0.732	S	S	*	*			trans	-166.4	91.8	138.7	-111.4	-73	0	0	0	109.4	F29	Y27-F29 AromaticContact CD1-CD2 3.38Å; Y27-F29 HydrophobicContact CD1-CD2 3.38Å; Y27-F29 AromaticContact CD1-CE2 3.35Å; Y27-F29 HydrophobicContact CD1-CE2 3.35Å; Y27-F29 HydrophobicContact CD1-CZ 4.48Å; Y27-F29 AromaticContact CE1-CD2 3.81Å; Y27-F29 HydrophobicContact CE1-CD2 3.81Å; Y27-F29 AromaticContact CE1-CE2 3.23Å; Y27-F29 HydrophobicContact CE1-CE2 3.23Å; Y27-F29 HydrophobicContact CE1-CZ 4.09Å; Y27-F29 HydrophobicContact CG-CD2 4.38Å; Y27-F29 PolarHBondContact O-N 2.81Å
28	E	29	Very low	31.5	Very low	191 Å²	191	137.7 Å²	137.7	89%	0.893	75%	0.748	S	S	*	*			trans	-65.6	113.3	155.8	-71.6	-178.4	160	0	0	107.5
29	F	29.5	Very low	30.8	Very low	165 Å²	165	139.7 Å²	139.7	72%	0.724	75%	0.754	S	S	*	*			trans	-119.9	108.8	159.1	-102.3	-71.5	0	0	0	109.2	Y27 V31	Y27-F29 AromaticContact CD1-CD2 3.38Å; Y27-F29 HydrophobicContact CD1-CD2 3.38Å; Y27-F29 AromaticContact CD1-CE2 3.35Å; Y27-F29 HydrophobicContact CD1-CE2 3.35Å; Y27-F29 HydrophobicContact CD1-CZ 4.48Å; Y27-F29 AromaticContact CE1-CD2 3.81Å; Y27-F29 HydrophobicContact CE1-CD2 3.81Å; Y27-F29 AromaticContact CE1-CE2 3.23Å; Y27-F29 HydrophobicContact CE1-CE2 3.23Å; Y27-F29 HydrophobicContact CE1-CZ 4.09Å; Y27-F29 HydrophobicContact CG-CD2 4.38Å; Y27-F29 PolarHBondContact O-N 2.81Å; F29-V31 PolarHBondContact O-N 3.44Å
30	V	24.2	Very low	30.2	Very low	127 Å²	127	144.3 Å²	144.3	77%	0.77	77%	0.773	S	S	*	*			trans	-63.9	111.9	162.2	175.1	0	0	0	0	107.4	T32	V30-T32 HydrophobicContact CG1-CG2 4.43Å
31	V	30.6	Very low	29.6	Very low	132 Å²	132	144.2 Å²	144.2	80%	0.8	77%	0.773	S	S	*	*			trans	-115.3	117.6	160.5	179.1	0	0	0	0	107.4	F29	F29-V31 PolarHBondContact O-N 3.44Å
32	T	28.1	Very low	29.4	Very low	125 Å²	125	141.6 Å²	141.6	77%	0.767	77%	0.773	S	S	*	*			trans	-69.6	141.2	-178.4	42.3	0	0	0	0	111.8	V30	V30-T32 HydrophobicContact CG1-CG2 4.43Å
33	N	27.8	Very low	29.3	Very low	112 Å²	112	141 Å²	141	60%	0.599	77%	0.766	S	S	*	*			trans	-68.6	119.2	-177.6	-157.6	13.1	0	0	0	111.6
34	E	31.5	Very low	29.1	Very low	188 Å²	188	139.1 Å²	139.1	88%	0.879	76%	0.761	S	S	*	*			trans	-108.7	115.8	157	-87.2	-169.7	161.7	0	0	109.3	A36	E34-A36 PolarHBondContact O-N 2.69Å
35	N	29.6	Very low	29.2	Very low	143 Å²	143	135.9 Å²	135.9	77%	0.765	74%	0.741	S	S	*	*			trans	-64.3	100.4	-179.9	-71.8	-42.7	0	0	0	111.1	R37	N35-R37 PolarHBondContact O-N 2.92Å
36	A	30.8	Very low	29.3	Very low	97 Å²	97	135 Å²	135	80%	0.802	73%	0.732	S	S	*	*			trans	-80.7	97.1	166.3	0	0	0	0	0	110	E34 T38	E34-A36 PolarHBondContact O-N 2.69Å; A36-T38 PolarHBondContact O-N 3.14Å
37	R	27.4	Very low	29.5	Very low	230 Å²	230	137 Å²	137	87%	0.868	74%	0.735	S	S	*	*			trans	-67.2	118.9	164.2	-97.8	-179.8	179.5	171.7	0.5	109	N35 T39	N35-R37 PolarHBondContact O-N 2.92Å; R37-T39 PolarHBondContact O-N 3.05Å
38	T	26.8	Very low	29.6	Very low	144 Å²	144	134 Å²	134	88%	0.883	73%	0.732	S	S	*	*			trans	-71.8	103.6	168.9	52.3	0	0	0	0	109.8	A36	A36-T38 PolarHBondContact O-N 3.14Å
39	T	27.5	Very low	29.9	Very low	108 Å²	108	128.8 Å²	128.8	66%	0.663	71%	0.71	S	S	*	*			trans	-111.5	122.2	160.8	44.7	0	0	0	0	108.1	R37 T41	R37-T39 PolarHBondContact O-N 3.05Å; T39-T41 PolarHBondContact O-N 2.84Å; T39-T41 VanDerWaalsContact O-N 3.08Å
40	E	27.1	Very low	30.1	Very low	201 Å²	201	130 Å²	130	94%	0.939	72%	0.717	S	S	*	*			trans	-56.8	106.6	173.9	-67.3	169.9	172.6	0	0	109.7
41	T	29.6	Very low	30.5	Very low	107 Å²	107	131.1 Å²	131.1	66%	0.656	71%	0.714	S	S	*	*			trans	-107.1	130.7	169.4	41.8	0	0	0	0	109.8	T39	T39-T41 PolarHBondContact O-N 2.84Å; T39-T41 VanDerWaalsContact O-N 3.08Å
42	P	31.9	Very low	30.6	Very low	115 Å²	115	130.2 Å²	130.2	75%	0.747	71%	0.709	S	S	*	*			trans	-76.9	139.3	-180	22.9	-19.7	0	0	0	112.1	T44	P42-T44 PolarHBondContact O-N 2.76Å; P42-T44 VanDerWaalsContact O-N 3.12Å
43	D	32.6	Very low	31	Very low	96 Å²	96	125.2 Å²	125.2	51%	0.513	68%	0.682	S	S	.	*			trans	26.4	64.1	162.2	-68.4	-8.2	0	0	0	117.5
44	T	29.8	Very low	31	Very low	108 Å²	108	128.6 Å²	128.6	66%	0.663	70%	0.695	S	S	*	*			trans	-103.9	55.8	158.9	17.2	0	0	0	0	110.6	P42	P42-T44 PolarHBondContact O-N 2.76Å; P42-T44 VanDerWaalsContact O-N 3.12Å
45	A	33.4	Very low	31.2	Very low	41 Å²	41	125.2 Å²	125.2	34%	0.339	68%	0.683	S	S	.	*			trans	-87.9	-1.8	-179.4	0	0	0	0	0	114.7
46	T	30.1	Very low	31.6	Very low	92 Å²	92	125.9 Å²	125.9	56%	0.564	69%	0.686	S	S	*	*	S	Bend	trans	-98	-4.8	-168.7	-7.8	0	0	0	0	116.3
47	N	30.9	Very low	31.9	Very low	151 Å²	151	127.1 Å²	127.1	81%	0.807	68%	0.684	S	S	*	*	S	Bend	trans	-102.7	11.7	-170.4	-75.7	-4.9	0	0	0	116.5
48	I	34.1	Very low	32.6	Very low	141 Å²	141	123.4 Å²	123.4	72%	0.723	68%	0.681	S	S	*	*			trans	-90.4	5.2	-177.9	-61.9	177.3	0	0	0	113.3
49	L	36	Very low	33.5	Very low	82 Å²	82	125.3 Å²	125.3	43%	0.429	69%	0.686	S	S	.	*			trans	-101.3	19.3	-150.2	-67.9	176.6	0	0	0	120.4
50	E	31.7	Very low	34.9	Very low	189 Å²	189	124.1 Å²	124.1	88%	0.883	68%	0.682	S	S	*	*			trans	-131.9	79.2	179.4	-68.8	-171.4	175.5	0	0	115
51	E	34.6	Very low	37.2	Very low	151 Å²	151	122.3 Å²	122.3	71%	0.706	67%	0.673	S	S	*	*			trans	-142	131	157.2	-71.7	-168.5	171.5	0	0	112.5	K64	E51-K64 VanDerWaalsContact O-CD 3.29Å; E51-K64 WeakPolarHBondContact O-CD 3.48Å; E51-K64 WeakPolarHBondContact O-CE 3.48Å; E51-K64 WeakPolarHBondContact O-CG 3.46Å; E51-K64 IonicContact OE2-NZ 2.76Å; E51-K64 PolarHBondContact OE2-NZ 3.08Å
52	T	32.1	Very low	39.9	Very low	113 Å²	113	118.7 Å²	118.7	69%	0.693	65%	0.651	S	S	*	*	B	Isolated β-bridge	trans	-89.3	145	-177.6	50.6	0	0	0	0	111.7	K64	T52-K64 WeakPolarHBondContact O-CE 3.11Å
53	G	35.6	Very low	42.7	Very low	20 Å²	20	114.8 Å²	114.8	21%	0.206	63%	0.626	C	S	.	*			trans	-106.6	142	174.5	0	0	0	0	0	111.1
54	Q	28.6	Very low	45.7	Very low	184 Å²	184	114.1 Å²	114.1	86%	0.86	62%	0.619	S	S	*	*			trans	-89.7	120.3	173	-90.1	171.7	-43.5	0	0	110.1
55	N	34.9	Very low	48.8	Very low	117 Å²	117	110.9 Å²	110.9	63%	0.626	60%	0.596	S	S	*	*			trans	-113.1	123.6	159.8	-106.2	-9.1	0	0	0	109.1	T57	N55-T57 PolarHBondContact O-N 2.82Å
56	N	37.6	Very low	51.8	Low	156 Å²	156	108.9 Å²	108.9	83%	0.834	58%	0.58	S	S	*	*	S	Bend	trans	-76.9	81.7	175.2	-84.9	-24.7	0	0	0	110.2
57	T	38.2	Very low	55	Low	124 Å²	124	107 Å²	107	76%	0.761	57%	0.566	S	S	*	*	S	Bend	trans	-177.1	119.5	147.6	40.7	0	0	0	0	108.5	N55	N55-T57 PolarHBondContact O-N 2.82Å
58	N	41.9	Very low	58.2	Low	151 Å²	151	101.8 Å²	101.8	81%	0.807	54%	0.538	S	S	*	.	S	Bend	trans	62.6	87.8	171.8	-64	-15.5	0	0	0	117.7	S60	N58-S60 VanDerWaalsContact C-N 3.25Å; N58-S60 PolarHBondContact O-N 3.01Å
59	N	44.8	Very low	61.2	Low	185 Å²	185	95.1 Å²	95.1	99%	0.989	50%	0.504	S	S	*	.	S	Bend	trans	22.6	23.1	143	-103.5	8.6	0	0	0	123.9
60	S	57.4	Low	64.2	Low	82 Å²	82	91.4 Å²	91.4	57%	0.573	48%	0.484	S	S	*	.			trans	-117.1	116.5	160.3	60.7	0	0	0	0	108.5	N58 V62	N58-S60 VanDerWaalsContact C-N 3.25Å; N58-S60 PolarHBondContact O-N 3.01Å; S60-V62 VanDerWaalsContact C-N 3.29Å; S60-V62 PolarHBondContact O-N 3.21Å
61	H	76.2	Confident	67.3	Low	164 Å²	164	86.7 Å²	86.7	76%	0.759	46%	0.462	S	S	*	.			trans	-64.1	89.6	170.9	-81	-77.2	0	0	0	109.4
62	V	85.9	Confident	70.3	Confident	31 Å²	31	82 Å²	82	19%	0.188	44%	0.443	C	S	.	.			trans	-74.9	127.8	170.7	-177.5	0	0	0	0	107.7	S60 C66 I67 P701	S60-V62 VanDerWaalsContact C-N 3.29Å; S60-V62 PolarHBondContact O-N 3.21Å; V62-C66 HydrophobicContact CG1-CB 3.58Å; V62-I67 HydrophobicContact CG1-CG1 4.05Å; V62-P701 HydrophobicContact CG2-CG 4.12Å
63	S	91.5	Very high	73.4	Confident	33 Å²	33	77 Å²	77	23%	0.231	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-65.5	153.3	178.8	55.6	0	0	0	0	112.1	H65 C66 I67	S63-H65 WeakPolarHBondContact CB-CE1 3.47Å; S63-H65 WeakPolarHBondContact CB-ND1 3.07Å; S63-H65 PolarHBondContact O-N 2.88Å; S63-H65 PolarHBondContact OG-CD2 3.35Å; S63-H65 PolarHBondContact OG-CE1 2.98Å; S63-H65 PolarHBondContact OG-ND1 3.02Å; S63-H65 PolarHBondContact OG-NE2 3.43Å; S63-C66 PolarHBondContact O-N 2.82Å; S63-C66 PolarHBondContact OG-SG 3.32Å; S63-I67 PolarHBondContact O-N 2.95Å
64	K	93.8	Very high	76.4	Confident	82 Å²	82	76 Å²	76	36%	0.357	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-54.5	-41	180	-68.5	-177.3	-175.7	175.5	0	112.1	E51 T52 C66 I67 D68	E51-K64 VanDerWaalsContact O-CD 3.29Å; E51-K64 WeakPolarHBondContact O-CD 3.48Å; E51-K64 WeakPolarHBondContact O-CE 3.48Å; E51-K64 WeakPolarHBondContact O-CG 3.46Å; E51-K64 IonicContact OE2-NZ 2.76Å; E51-K64 PolarHBondContact OE2-NZ 3.08Å; T52-K64 WeakPolarHBondContact O-CE 3.11Å; K64-C66 PolarHBondContact O-N 3.28Å; K64-I67 WeakPolarHBondContact O-CB 3.36Å; K64-I67 PolarHBondContact O-N 3.16Å; K64-D68 PolarHBondContact O-N 2.87Å
65	H	95.2	Very high	79.7	Confident	39 Å²	39	67.3 Å²	67.3	18%	0.181	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-67	-15.7	178.6	64.1	-109.1	0	0	0	114.5	S63 F69 T72 Y698	S63-H65 WeakPolarHBondContact CB-CE1 3.47Å; S63-H65 WeakPolarHBondContact CB-ND1 3.07Å; S63-H65 PolarHBondContact O-N 2.88Å; S63-H65 PolarHBondContact OG-CD2 3.35Å; S63-H65 PolarHBondContact OG-CE1 2.98Å; S63-H65 PolarHBondContact OG-ND1 3.02Å; S63-H65 PolarHBondContact OG-NE2 3.43Å; H65-F69 HydrophobicContact CB-CD2 3.93Å; H65-F69 HydrophobicContact CB-CE2 4.42Å; H65-F69 WeakPolarHBondContact O-CB 3.21Å; H65-T72 HydrophobicContact CB-CG2 4.2Å; H65-Y698 HydrophobicContact CB-CD1 4.34Å; H65-Y698 AromaticContact CD2-CD1 3.51Å; H65-Y698 AromaticContact CD2-CG 3.9Å; H65-Y698 AromaticContact CG-CD1 3.85Å; H65-Y698 AromaticContact NE2-CD1 3.75Å; H65-Y698 PolarHBondContact NE2-O 3.21Å
66	C	97.5	Very high	82.6	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-94.8	-3.1	172.8	-63	0	0	0	0	113.3	V62 S63 K64 C700 P705 M706	V62-C66 HydrophobicContact CG1-CB 3.58Å; S63-C66 PolarHBondContact O-N 2.82Å; S63-C66 PolarHBondContact OG-SG 3.32Å; K64-C66 PolarHBondContact O-N 3.28Å; C66-C700 WeakPolarHBondContact CA-SG 3.16Å; C66-C700 HydrophobicContact CB-CB 3.68Å; C66-C700 WeakPolarHBondContact CB-SG 3.08Å; C66-C700 WeakPolarHBondContact SG-CA 3.25Å; C66-C700 WeakPolarHBondContact SG-CB 3.38Å; C66-C700 CovalentContact SG-SG 2.04Å; C66-C700 PolarHBondContact SG-SG 3.3Å; C66-P705 WeakPolarHBondContact O-CD 3.37Å; C66-M706 WeakPolarHBondContact O-CB 3.35Å; C66-M706 WeakPolarHBondContact O-CG 3.17Å; C66-M706 PolarHBondContact O-N 2.94Å; C66-M706 VanDerWaalsContact O-N 3.1Å
67	I	97	Very high	85.4	Confident	52 Å²	52	62.1 Å²	62.1	27%	0.267	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-54.5	173.8	-60.7	171.2	0	0	0	109.5	V62 S63 K64 P705	V62-I67 HydrophobicContact CG1-CG1 4.05Å; S63-I67 PolarHBondContact O-N 2.95Å; K64-I67 WeakPolarHBondContact O-CB 3.36Å; K64-I67 PolarHBondContact O-N 3.16Å; I67-P705 HydrophobicContact CG2-CG 4.47Å; I67-P705 WeakPolarHBondContact O-CB 3.37Å
68	D	96.9	Very high	88.1	Confident	41 Å²	41	58.1 Å²	58.1	22%	0.219	30%	0.301	C	S	.	.			trans	-142.4	94.1	176.3	-167.2	-25.3	0	0	0	108.7	K64 Y70 E71 T72 K681	K64-D68 PolarHBondContact O-N 2.87Å; D68-Y70 VanDerWaalsContact C-N 3.28Å; D68-Y70 WeakPolarHBondContact OD1-CB 3.1Å; D68-Y70 PolarHBondContact OD1-N 3.38Å; D68-Y70 VanDerWaalsContact OD1-N 3.11Å; D68-E71 HydrophobicContact CB-CB 4.01Å; D68-E71 PolarHBondContact OD1-N 2.96Å; D68-T72 PolarHBondContact O-N 3.09Å; D68-T72 PolarHBondContact O-OG1 2.66Å; D68-K681 WeakPolarHBondContact OD2-CE 3.47Å; D68-K681 IonicContact OD2-NZ 3.68Å; D68-K681 PolarHBondContact OD2-NZ 3.34Å
69	F	98.3	Very high	90.6	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.009	29%	0.291	C	S	.	.	H	α-helix	trans	-66.8	-33.6	177.5	-171.8	-102.1	0	0	0	112	H65 T72 A73 A656 V684 L688 F694 Y698 M706	H65-F69 HydrophobicContact CB-CD2 3.93Å; H65-F69 HydrophobicContact CB-CE2 4.42Å; H65-F69 WeakPolarHBondContact O-CB 3.21Å; F69-T72 WeakPolarHBondContact O-CB 3.47Å; F69-T72 PolarHBondContact O-N 2.95Å; F69-T72 VanDerWaalsContact O-N 3.17Å; F69-A73 HydrophobicContact CD1-CB 4.43Å; F69-A73 HydrophobicContact CE1-CB 4.13Å; F69-A73 PolarHBondContact O-N 3.3Å; F69-A656 HydrophobicContact CD1-CB 4.12Å; F69-A656 HydrophobicContact CE1-CB 3.69Å; F69-V684 HydrophobicContact CD1-CG1 4.48Å; F69-L688 HydrophobicContact CB-CD1 4.29Å; F69-L688 HydrophobicContact CD1-CD1 3.21Å; F69-L688 HydrophobicContact CE1-CD1 3.76Å; F69-L688 HydrophobicContact CG-CD1 3.93Å; F69-F694 HydrophobicContact CB-CE2 4.28Å; F69-F694 HydrophobicContact CB-CZ 3.9Å; F69-F694 HydrophobicContact CD1-CE2 4.01Å; F69-F694 HydrophobicContact CD1-CZ 4.48Å; F69-F694 AromaticContact CD2-CE2 3.46Å; F69-F694 HydrophobicContact CD2-CE2 3.46Å; F69-F694 VanDerWaalsContact CD2-CE2 3.46Å; F69-F694 AromaticContact CD2-CZ 3.68Å; F69-F694 HydrophobicContact CD2-CZ 3.68Å; F69-F694 HydrophobicContact CE1-CE2 4.19Å; F69-F694 AromaticContact CE2-CE2 3.74Å; F69-F694 HydrophobicContact CE2-CE2 3.74Å; F69-F694 HydrophobicContact CE2-CZ 4.38Å; F69-F694 AromaticContact CG-CE2 3.62Å; F69-F694 HydrophobicContact CG-CE2 3.62Å; F69-F694 AromaticContact CG-CZ 3.75Å; F69-F694 HydrophobicContact CG-CZ 3.75Å; F69-F694 HydrophobicContact CZ-CE2 4.08Å; F69-Y698 HydrophobicContact CD2-CE1 4.46Å; F69-Y698 HydrophobicContact CE2-CD1 4.04Å; F69-Y698 HydrophobicContact CE2-CD2 4.2Å; F69-Y698 AromaticContact CE2-CE1 3.52Å; F69-Y698 HydrophobicContact CE2-CE1 3.52Å; F69-Y698 AromaticContact CE2-CE2 3.7Å; F69-Y698 HydrophobicContact CE2-CE2 3.7Å; F69-Y698 HydrophobicContact CE2-CG 4.35Å; F69-Y698 AromaticContact CE2-CZ 3.31Å; F69-Y698 HydrophobicContact CZ-CE1 4.25Å; F69-Y698 AromaticContact CZ-CE2 3.87Å; F69-Y698 HydrophobicContact CZ-CE2 3.87Å; F69-Y698 AromaticContact CZ-CZ 3.6Å; F69-Y698 WeakPolarHBondContact CZ-OH 3.42Å; F69-M706 HydrophobicContact CB-CE 3.64Å; F69-M706 HydrophobicContact CB-CG 4.39Å; F69-M706 HydrophobicContact CB-SD 4.18Å
70	Y	98.4	Very high	92.9	Very high	3 Å²	3	53.9 Å²	53.9	1%	0.012	27%	0.271	C	S	.	.	H	α-helix	trans	-62.3	-46.7	179.8	178.5	-89.9	0	0	0	110.6	D68 T72 A73 C74 E78 L659 G661 K681 V684	D68-Y70 VanDerWaalsContact C-N 3.28Å; D68-Y70 WeakPolarHBondContact OD1-CB 3.1Å; D68-Y70 PolarHBondContact OD1-N 3.38Å; D68-Y70 VanDerWaalsContact OD1-N 3.11Å; Y70-T72 PolarHBondContact O-N 3.5Å; Y70-A73 PolarHBondContact O-N 2.86Å; Y70-A73 VanDerWaalsContact O-N 3.11Å; Y70-C74 HydrophobicContact CD1-CB 4.31Å; Y70-C74 HydrophobicContact CD2-CB 4.28Å; Y70-C74 HydrophobicContact CE1-CB 3.92Å; Y70-C74 HydrophobicContact CE2-CB 3.93Å; Y70-C74 HydrophobicContact CG-CB 4.48Å; Y70-C74 WeakPolarHBondContact O-CB 3.45Å; Y70-C74 PolarHBondContact O-N 3.46Å; Y70-E78 WeakPolarHBondContact CE1-OE1 3.45Å; Y70-E78 VanDerWaalsContact CZ-OE1 3.25Å; Y70-E78 PolarHBondContact OH-OE1 2.77Å; Y70-L659 WeakPolarHBondContact CE2-O 3.47Å; Y70-G661 PolarHBondContact OH-N 3.05Å; Y70-G661 PolarHBondContact OH-O 3.08Å; Y70-G661 VanDerWaalsContact OH-O 3.05Å; Y70-K681 HydrophobicContact CD1-CB 4.06Å; Y70-K681 HydrophobicContact CD1-CD 4.02Å; Y70-K681 HydrophobicContact CD1-CG 3.81Å; Y70-K681 HydrophobicContact CD2-CB 4.21Å; Y70-K681 HydrophobicContact CD2-CG 4.37Å; Y70-K681 HydrophobicContact CE1-CB 4Å; Y70-K681 HydrophobicContact CE1-CD 4.41Å; Y70-K681 HydrophobicContact CE1-CG 4.23Å; Y70-K681 HydrophobicContact CE2-CB 4.13Å; Y70-K681 HydrophobicContact CG-CB 4.15Å; Y70-K681 HydrophobicContact CG-CG 3.87Å; Y70-V684 HydrophobicContact CD2-CB 3.86Å; Y70-V684 HydrophobicContact CD2-CG1 4.2Å; Y70-V684 HydrophobicContact CD2-CG2 3.93Å; Y70-V684 HydrophobicContact CE2-CG2 4.28Å
71	E	97.9	Very high	94.5	Very high	91 Å²	91	51 Å²	51	43%	0.425	25%	0.25	S	C	.	.	H	α-helix	trans	-57.2	-40	174.8	-179.3	58.9	-156.1	0	0	111.7	D68 A73 G75	D68-E71 HydrophobicContact CB-CB 4.01Å; D68-E71 PolarHBondContact OD1-N 2.96Å; E71-A73 PolarHBondContact O-N 2.96Å; E71-G75 VanDerWaalsContact O-CA 3.31Å; E71-G75 WeakPolarHBondContact O-CA 3.28Å; E71-G75 PolarHBondContact O-N 3.16Å
72	T	96.4	Very high	95.2	Very high	51 Å²	51	47.5 Å²	47.5	31%	0.313	24%	0.242	S	C	.	.	H	α-helix	trans	-66	-38.4	177.8	-53.8	0	0	0	0	112.2	H65 D68 F69 Y70	H65-T72 HydrophobicContact CB-CG2 4.2Å; D68-T72 PolarHBondContact O-N 3.09Å; D68-T72 PolarHBondContact O-OG1 2.66Å; F69-T72 WeakPolarHBondContact O-CB 3.47Å; F69-T72 PolarHBondContact O-N 2.95Å; F69-T72 VanDerWaalsContact O-N 3.17Å; Y70-T72 PolarHBondContact O-N 3.5Å
73	A	97.9	Very high	95	Very high	9 Å²	9	49 Å²	49	7%	0.074	25%	0.246	C	C	.	.	H	α-helix	trans	-84.7	-34.2	-176.4	0	0	0	0	0	113.7	F69 Y70 E71 L653 A656	F69-A73 HydrophobicContact CD1-CB 4.43Å; F69-A73 HydrophobicContact CE1-CB 4.13Å; F69-A73 PolarHBondContact O-N 3.3Å; Y70-A73 PolarHBondContact O-N 2.86Å; Y70-A73 VanDerWaalsContact O-N 3.11Å; E71-A73 PolarHBondContact O-N 2.96Å; A73-L653 HydrophobicContact CB-CD1 3.88Å; A73-A656 HydrophobicContact CB-CB 3.55Å
74	C	98.3	Very high	94.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-123.8	-15.7	-166.6	-68	0	0	0	0	114.3	Y70 E76 W77 E78 C660	Y70-C74 HydrophobicContact CD1-CB 4.31Å; Y70-C74 HydrophobicContact CD2-CB 4.28Å; Y70-C74 HydrophobicContact CE1-CB 3.92Å; Y70-C74 HydrophobicContact CE2-CB 3.93Å; Y70-C74 HydrophobicContact CG-CB 4.48Å; Y70-C74 WeakPolarHBondContact O-CB 3.45Å; Y70-C74 PolarHBondContact O-N 3.46Å; C74-E76 VanDerWaalsContact C-N 3.33Å; C74-E76 PolarHBondContact O-N 3.38Å; C74-W77 CarbonylContact O-C 3.55Å; C74-W77 WeakPolarHBondContact O-CA 3.24Å; C74-W77 WeakPolarHBondContact O-CB 3.37Å; C74-W77 PolarHBondContact O-N 3.31Å; C74-E78 WeakPolarHBondContact O-CG 3.47Å; C74-E78 PolarHBondContact O-N 3.27Å; C74-C660 VanDerWaalsContact CA-SG 3.53Å; C74-C660 HydrophobicContact CB-CB 3.67Å; C74-C660 WeakPolarHBondContact CB-SG 3.39Å; C74-C660 WeakPolarHBondContact SG-CA 3.33Å; C74-C660 WeakPolarHBondContact SG-CB 3.45Å; C74-C660 CovalentContact SG-SG 2.04Å; C74-C660 PolarHBondContact SG-SG 3.21Å
75	G	96.9	Very high	93.9	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-60.1	-41.1	-175	0	0	0	0	0	113	E71 K79	E71-G75 VanDerWaalsContact O-CA 3.31Å; E71-G75 WeakPolarHBondContact O-CA 3.28Å; E71-G75 PolarHBondContact O-N 3.16Å; G75-K79 WeakPolarHBondContact O-CG 3.26Å; G75-K79 PolarHBondContact O-N 2.68Å
76	E	95.7	Very high	93.2	Very high	107 Å²	107	54.5 Å²	54.5	50%	0.5	28%	0.278	S	S	.	.	H	α-helix	trans	-72.2	-31.9	174	-168.9	55.2	-149.8	0	0	112.5	C74 K79 N80	C74-E76 VanDerWaalsContact C-N 3.33Å; C74-E76 PolarHBondContact O-N 3.38Å; E76-K79 IonicContact OE2-NZ 3.35Å; E76-N80 WeakPolarHBondContact O-CB 3.36Å; E76-N80 PolarHBondContact O-N 2.91Å; E76-N80 PolarHBondContact O-ND2 3.44Å; E76-N80 PolarHBondContact OE1-ND2 3.39Å
77	W	96.5	Very high	92.4	Very high	56 Å²	56	59.3 Å²	59.3	21%	0.212	30%	0.303	C	S	.	.	H	α-helix	trans	-66.4	-42.3	175.5	-179.7	95.3	0	0	0	111.3	C74 N80 N81 T91 K95 C660	C74-W77 CarbonylContact O-C 3.55Å; C74-W77 WeakPolarHBondContact O-CA 3.24Å; C74-W77 WeakPolarHBondContact O-CB 3.37Å; C74-W77 PolarHBondContact O-N 3.31Å; W77-N80 CarbonylContact O-C 3.53Å; W77-N80 PolarHBondContact O-N 2.71Å; W77-N81 HydrophobicContact CD2-CB 4.47Å; W77-N81 HydrophobicContact CE3-CB 4.49Å; W77-N81 HydrophobicContact CH2-CB 4.17Å; W77-N81 HydrophobicContact CZ2-CB 4.16Å; W77-N81 HydrophobicContact CZ3-CB 4.35Å; W77-N81 PolarHBondContact NE1-ND2 2.97Å; W77-N81 WeakPolarHBondContact O-CB 3.47Å; W77-N81 PolarHBondContact O-N 3.48Å; W77-N81 PolarHBondContact O-ND2 3.05Å; W77-T91 VanDerWaalsContact CH2-C 3.49Å; W77-K95 HydrophobicContact CZ2-CB 4.41Å; W77-C660 HydrophobicContact CD2-CB 3.58Å; W77-C660 HydrophobicContact CE3-CB 3.29Å; W77-C660 HydrophobicContact CG-CB 4.16Å; W77-C660 HydrophobicContact CH2-CB 4.34Å; W77-C660 HydrophobicContact CZ3-CB 3.71Å
78	E	95.1	Very high	91.9	Very high	41 Å²	41	57.6 Å²	57.6	19%	0.192	30%	0.296	C	S	.	.	H	α-helix	trans	-64.2	-43.7	179	-72.1	-178.2	172.9	0	0	111.5	Y70 C74 N80 N81 H662	Y70-E78 WeakPolarHBondContact CE1-OE1 3.45Å; Y70-E78 VanDerWaalsContact CZ-OE1 3.25Å; Y70-E78 PolarHBondContact OH-OE1 2.77Å; C74-E78 WeakPolarHBondContact O-CG 3.47Å; C74-E78 PolarHBondContact O-N 3.27Å; E78-N80 VanDerWaalsContact C-N 3.28Å; E78-N80 PolarHBondContact O-N 3.29Å; E78-N81 CarbonylContact O-C 3.58Å; E78-N81 PolarHBondContact O-N 3.05Å; E78-N81 VanDerWaalsContact O-N 3.11Å; E78-H662 HydrophobicContact CG-CB 4.28Å
79	K	94.2	Very high	91.5	Very high	140 Å²	140	57.3 Å²	57.3	61%	0.609	30%	0.297	S	S	*	.	H	α-helix	trans	-57.5	-41	174.1	-69.8	172.2	-162.9	165.3	0	112.3	G75 E76 N81	G75-K79 WeakPolarHBondContact O-CG 3.26Å; G75-K79 PolarHBondContact O-N 2.68Å; E76-K79 IonicContact OE2-NZ 3.35Å; K79-N81 VanDerWaalsContact C-N 3.31Å
80	N	93.6	Very high	91.3	Very high	106 Å²	106	57.9 Å²	57.9	57%	0.567	30%	0.301	S	S	*	.	H	α-helix	trans	-82.7	-6.5	-179.6	-71.2	-50.9	0	0	0	113.8	E76 W77 E78	E76-N80 WeakPolarHBondContact O-CB 3.36Å; E76-N80 PolarHBondContact O-N 2.91Å; E76-N80 PolarHBondContact O-ND2 3.44Å; E76-N80 PolarHBondContact OE1-ND2 3.39Å; W77-N80 CarbonylContact O-C 3.53Å; W77-N80 PolarHBondContact O-N 2.71Å; E78-N80 VanDerWaalsContact C-N 3.28Å; E78-N80 PolarHBondContact O-N 3.29Å
81	N	91.7	Very high	91.1	Very high	23 Å²	23	58.4 Å²	58.4	12%	0.123	31%	0.305	C	S	.	.	S	Bend	trans	-131.3	63.2	179.2	-66.4	-87.6	0	0	0	111	W77 E78 K79 S90 K95 H662	W77-N81 HydrophobicContact CD2-CB 4.47Å; W77-N81 HydrophobicContact CE3-CB 4.49Å; W77-N81 HydrophobicContact CH2-CB 4.17Å; W77-N81 HydrophobicContact CZ2-CB 4.16Å; W77-N81 HydrophobicContact CZ3-CB 4.35Å; W77-N81 PolarHBondContact NE1-ND2 2.97Å; W77-N81 WeakPolarHBondContact O-CB 3.47Å; W77-N81 PolarHBondContact O-N 3.48Å; W77-N81 PolarHBondContact O-ND2 3.05Å; E78-N81 CarbonylContact O-C 3.58Å; E78-N81 PolarHBondContact O-N 3.05Å; E78-N81 VanDerWaalsContact O-N 3.11Å; K79-N81 VanDerWaalsContact C-N 3.31Å; N81-S90 WeakPolarHBondContact CB-OG 3.43Å; N81-S90 WeakPolarHBondContact O-CB 3.45Å; N81-S90 PolarHBondContact O-OG 2.96Å; N81-K95 WeakPolarHBondContact OD1-CE 3.41Å; N81-K95 PolarHBondContact OD1-NZ 3.24Å; N81-H662 PolarHBondContact O-NE2 2.83Å
82	P	89.8	Confident	91	Very high	90 Å²	90	54.1 Å²	54.1	58%	0.584	29%	0.285	S	S	*	.			trans	-62.4	155.6	179.1	28.7	-36.1	0	0	0	112.4
83	F	82.8	Confident	91	Very high	62 Å²	62	54.5 Å²	54.5	27%	0.272	28%	0.282	S	S	.	.			trans	-99.5	148.6	168.4	57.9	-105.5	0	0	0	110.4	D85 H662 H663 G664	F83-D85 VanDerWaalsContact CD2-O 3.24Å; F83-D85 WeakPolarHBondContact CD2-O 3.35Å; F83-H662 AromaticContact CD1-CE1 3.24Å; F83-H662 WeakPolarHBondContact CD1-CE1 3.35Å; F83-H662 AromaticContact CD1-CG 3.73Å; F83-H662 AromaticContact CD1-ND1 3.15Å; F83-H662 WeakPolarHBondContact CD1-ND1 3.26Å; F83-H662 AromaticContact CD1-NE2 3.85Å; F83-H662 HydrophobicContact CE1-CB 4.31Å; F83-H662 AromaticContact CE1-CE1 3.55Å; F83-H662 AromaticContact CE1-CG 3.78Å; F83-H662 AromaticContact CE1-ND1 3.02Å; F83-H662 WeakPolarHBondContact CE1-ND1 3.34Å; F83-H663 VanDerWaalsContact CZ-C 3.48Å; F83-H663 WeakPolarHBondContact CZ-O 3.24Å; F83-G664 VanDerWaalsContact CE2-CA 3.43Å
84	P	77.8	Confident	90.8	Very high	73 Å²	73	56.4 Å²	56.4	47%	0.474	29%	0.287	S	S	.	.	S	Bend	trans	-77.2	-32.3	-170.2	28.1	-35.8	0	0	0	115.1	S88 M361	P84-S88 WeakPolarHBondContact CG-OG 3.43Å; P84-M361 HydrophobicContact CG-SD 4.25Å
85	D	83.5	Confident	90.5	Very high	69 Å²	69	59.7 Å²	59.7	37%	0.369	30%	0.302	S	S	.	.	S	Bend	trans	-153.4	177	-172.5	58	41.7	0	0	0	113	F83 D87 S88	F83-D85 VanDerWaalsContact CD2-O 3.24Å; F83-D85 WeakPolarHBondContact CD2-O 3.35Å; D85-D87 PolarHBondContact O-N 3.27Å; D85-D87 PolarHBondContact OD1-N 2.85Å; D85-S88 PolarHBondContact O-N 3.31Å; D85-S88 VanDerWaalsContact OD1-CB 3.23Å; D85-S88 WeakPolarHBondContact OD1-CB 3.33Å; D85-S88 PolarHBondContact OD1-N 3.04Å; D85-S88 PolarHBondContact OD1-OG 2.94Å
86	E	81.2	Confident	90.5	Very high	128 Å²	128	60.1 Å²	60.1	60%	0.598	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-20.4	-178.6	-63.2	-171.6	166.9	0	0	114	G664 Q665 T666 M667	E86-G664 CarbonylContact O-C 3.6Å; E86-G664 WeakPolarHBondContact O-CA 3.4Å; E86-Q665 PolarHBondContact O-N 2.9Å; E86-T666 WeakPolarHBondContact O-CB 3.48Å; E86-T666 PolarHBondContact O-N 3Å; E86-M667 PolarHBondContact O-N 3.25Å; E86-M667 VanDerWaalsContact O-N 3.1Å
87	D	81.1	Confident	90.5	Very high	100 Å²	100	59.2 Å²	59.2	54%	0.535	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-0.1	-178.5	-64.8	-28.1	0	0	0	112.3	D85 T666 M667	D85-D87 PolarHBondContact O-N 3.27Å; D85-D87 PolarHBondContact OD1-N 2.85Å; D87-T666 WeakPolarHBondContact OD1-CB 3.25Å; D87-T666 VanDerWaalsContact OD1-CG2 3.24Å; D87-T666 WeakPolarHBondContact OD1-CG2 3.19Å; D87-T666 PolarHBondContact OD1-OG1 2.86Å; D87-T666 VanDerWaalsContact OD1-OG1 3.09Å; D87-M667 WeakPolarHBondContact O-CE 3.3Å
88	S	85.7	Confident	90.3	Very high	17 Å²	17	57.5 Å²	57.5	12%	0.119	29%	0.294	C	S	.	.			trans	-108	161.3	-175.3	-65.8	0	0	0	0	112.9	P84 D85 G664	P84-S88 WeakPolarHBondContact CG-OG 3.43Å; D85-S88 PolarHBondContact O-N 3.31Å; D85-S88 VanDerWaalsContact OD1-CB 3.23Å; D85-S88 WeakPolarHBondContact OD1-CB 3.33Å; D85-S88 PolarHBondContact OD1-N 3.04Å; D85-S88 PolarHBondContact OD1-OG 2.94Å; S88-G664 PolarHBondContact O-N 3.45Å
89	S	89.4	Confident	90.3	Very high	35 Å²	35	58.5 Å²	58.5	25%	0.245	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	154.3	170.1	59.1	0	0	0	0	110.3	H662 H663	S89-H662 WeakPolarHBondContact CA-O 3.44Å; S89-H663 WeakPolarHBondContact CB-ND1 3.5Å
90	S	92.8	Very high	90.4	Very high	14 Å²	14	52 Å²	52	10%	0.098	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	105.7	172.1	-178.3	0	0	0	0	107.6	N81 G661 H662	N81-S90 WeakPolarHBondContact CB-OG 3.43Å; N81-S90 WeakPolarHBondContact O-CB 3.45Å; N81-S90 PolarHBondContact O-OG 2.96Å; S90-G661 CarbonylContact O-C 3.58Å; S90-G661 WeakPolarHBondContact O-CA 3.48Å; S90-H662 PolarHBondContact N-O 3.49Å; S90-H662 PolarHBondContact O-CD2 3.24Å; S90-H662 PolarHBondContact O-N 2.52Å
91	T	95.3	Very high	90.6	Very high	13 Å²	13	47 Å²	47	8%	0.08	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	158	179.1	73	0	0	0	0	109.5	W77 F93 R94 K95 C660 E680	W77-T91 VanDerWaalsContact CH2-C 3.49Å; T91-F93 PolarHBondContact O-N 3.19Å; T91-R94 PolarHBondContact O-N 2.91Å; T91-R94 VanDerWaalsContact O-N 3.11Å; T91-R94 WeakPolarHBondContact OG1-CB 3.22Å; T91-R94 PolarHBondContact OG1-N 3.06Å; T91-R94 VanDerWaalsContact OG1-N 3.14Å; T91-K95 PolarHBondContact O-N 2.8Å; T91-C660 CarbonylContact C-O 3.19Å; T91-C660 WeakPolarHBondContact CA-O 3.43Å; T91-E680 VanDerWaalsContact CG2-OE1 3.28Å; T91-E680 WeakPolarHBondContact CG2-OE1 3.47Å
92	T	96.5	Very high	90.7	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-53.1	-44.7	176.5	-60.5	0	0	0	0	111.2	K95 M96 P529 F530 Q657 C660	T92-K95 PolarHBondContact O-N 2.96Å; T92-M96 HydrophobicContact CG2-CE 4.47Å; T92-M96 VanDerWaalsContact O-CG 3.31Å; T92-M96 WeakPolarHBondContact O-CG 3.22Å; T92-M96 PolarHBondContact O-N 3.33Å; T92-P529 VanDerWaalsContact CG2-CD 3.49Å; T92-P529 HydrophobicContact CG2-CG 3.33Å; T92-F530 HydrophobicContact CG2-CE1 3.81Å; T92-F530 HydrophobicContact CG2-CE2 4.33Å; T92-F530 HydrophobicContact CG2-CZ 3.65Å; T92-Q657 PolarHBondContact OG1-O 2.8Å; T92-C660 PolarHBondContact N-O 3.13Å; T92-C660 PolarHBondContact OG1-N 2.74Å; T92-C660 PolarHBondContact OG1-O 3.45Å
93	F	95.2	Very high	91.1	Very high	60 Å²	60	45.5 Å²	45.5	26%	0.263	23%	0.231	S	C	.	.	H	α-helix	trans	-61.1	-46.3	176.7	-81.5	-93.7	0	0	0	112.6	T91 K95 M96 E97 V508 F530 I547 L659	T91-F93 PolarHBondContact O-N 3.19Å; F93-K95 VanDerWaalsContact C-N 3.35Å; F93-K95 PolarHBondContact O-N 2.98Å; F93-M96 PolarHBondContact O-N 3.33Å; F93-E97 PolarHBondContact O-N 3.34Å; F93-V508 HydrophobicContact CD1-CG1 4.11Å; F93-F530 HydrophobicContact CD1-CE2 4.38Å; F93-F530 AromaticContact CD1-CZ 3.93Å; F93-F530 HydrophobicContact CD1-CZ 3.93Å; F93-F530 HydrophobicContact CD2-CE1 4.15Å; F93-F530 AromaticContact CD2-CZ 3.7Å; F93-F530 HydrophobicContact CD2-CZ 3.7Å; F93-F530 HydrophobicContact CE1-CE1 4.43Å; F93-F530 HydrophobicContact CE1-CE2 4.47Å; F93-F530 AromaticContact CE1-CZ 3.94Å; F93-F530 HydrophobicContact CE1-CZ 3.94Å; F93-F530 AromaticContact CE2-CE1 3.75Å; F93-F530 HydrophobicContact CE2-CE1 3.75Å; F93-F530 AromaticContact CE2-CZ 3.71Å; F93-F530 HydrophobicContact CE2-CZ 3.71Å; F93-F530 AromaticContact CG-CZ 3.81Å; F93-F530 HydrophobicContact CG-CZ 3.81Å; F93-F530 AromaticContact CZ-CE1 3.91Å; F93-F530 HydrophobicContact CZ-CE1 3.91Å; F93-F530 AromaticContact CZ-CZ 3.83Å; F93-F530 HydrophobicContact CZ-CZ 3.83Å; F93-I547 HydrophobicContact CZ-CD1 4.27Å; F93-L659 HydrophobicContact CE2-CD2 4.46Å
94	R	93	Very high	91.8	Very high	48 Å²	48	42.5 Å²	42.5	18%	0.181	22%	0.218	C	C	.	.	H	α-helix	trans	-61.9	-42.7	177.8	173.7	56.5	179.8	131.2	9.9	111.5	T91 M96 E97 M98 E375	T91-R94 PolarHBondContact O-N 2.91Å; T91-R94 VanDerWaalsContact O-N 3.11Å; T91-R94 WeakPolarHBondContact OG1-CB 3.22Å; T91-R94 PolarHBondContact OG1-N 3.06Å; T91-R94 VanDerWaalsContact OG1-N 3.14Å; R94-M96 VanDerWaalsContact C-N 3.31Å; R94-M96 PolarHBondContact O-N 3.28Å; R94-E97 WeakPolarHBondContact O-CB 3.41Å; R94-E97 PolarHBondContact O-N 3.37Å; R94-M98 VanDerWaalsContact NH1-CG 3.33Å; R94-M98 WeakPolarHBondContact O-CG 3.21Å; R94-M98 PolarHBondContact O-N 3.33Å; R94-E375 IonicContact CZ-OE1 3.38Å; R94-E375 IonicContact CZ-OE2 3.1Å; R94-E375 IonicContact NH1-OE1 3.05Å; R94-E375 PolarHBondContact NH1-OE1 2.89Å; R94-E375 IonicContact NH2-OE1 3.73Å; R94-E375 PolarHBondContact NH2-OE1 2.98Å; R94-E375 IonicContact NH2-OE2 3.75Å; R94-E375 PolarHBondContact NH2-OE2 2.7Å
95	K	94	Very high	92.6	Very high	69 Å²	69	40.9 Å²	40.9	30%	0.3	20%	0.202	S	C	.	.	H	α-helix	trans	-63.7	-37.8	177.4	-172.5	65.6	174.5	-163.9	0	112	W77 N81 T91 T92 F93 M98 N99	W77-K95 HydrophobicContact CZ2-CB 4.41Å; N81-K95 WeakPolarHBondContact OD1-CE 3.41Å; N81-K95 PolarHBondContact OD1-NZ 3.24Å; T91-K95 PolarHBondContact O-N 2.8Å; T92-K95 PolarHBondContact O-N 2.96Å; F93-K95 VanDerWaalsContact C-N 3.35Å; F93-K95 PolarHBondContact O-N 2.98Å; K95-M98 HydrophobicContact CD-SD 4.37Å; K95-M98 WeakPolarHBondContact O-CB 3.31Å; K95-M98 PolarHBondContact O-N 2.64Å; K95-N99 PolarHBondContact O-N 3.34Å
96	M	95.7	Very high	93.2	Very high	10 Å²	10	44 Å²	44	5%	0.049	21%	0.213	C	C	.	.	H	α-helix	trans	-69.4	-34.1	174.7	-68.7	-33.9	115.6	0	0	112.8	T92 F93 R94 M98 N99 V100 V508 Q527 P528 F530	T92-M96 HydrophobicContact CG2-CE 4.47Å; T92-M96 VanDerWaalsContact O-CG 3.31Å; T92-M96 WeakPolarHBondContact O-CG 3.22Å; T92-M96 PolarHBondContact O-N 3.33Å; F93-M96 PolarHBondContact O-N 3.33Å; R94-M96 VanDerWaalsContact C-N 3.31Å; R94-M96 PolarHBondContact O-N 3.28Å; M96-M98 VanDerWaalsContact C-N 3.34Å; M96-N99 WeakPolarHBondContact O-CB 3.4Å; M96-N99 PolarHBondContact O-N 3.16Å; M96-N99 PolarHBondContact SD-ND2 2.86Å; M96-V100 PolarHBondContact O-N 3.23Å; M96-V100 VanDerWaalsContact O-N 3.16Å; M96-V508 HydrophobicContact CB-CG1 3.71Å; M96-V508 HydrophobicContact CB-CG2 4.16Å; M96-Q527 HydrophobicContact CB-CG 4.26Å; M96-Q527 HydrophobicContact CG-CG 3.99Å; M96-Q527 PolarHBondContact O-NE2 3.07Å; M96-Q527 VanDerWaalsContact O-NE2 3.09Å; M96-Q527 HydrophobicContact SD-CG 3.81Å; M96-Q527 PolarHBondContact SD-OE1 2.87Å; M96-Q527 VanDerWaalsContact SD-OE1 3.34Å; M96-P528 WeakPolarHBondContact CE-O 3.48Å; M96-F530 HydrophobicContact CB-CE2 3.9Å; M96-F530 HydrophobicContact CG-CD2 3.85Å; M96-F530 HydrophobicContact CG-CE2 3.4Å; M96-F530 VanDerWaalsContact CG-CE2 3.4Å; M96-F530 HydrophobicContact CG-CZ 4.29Å
97	E	95.1	Very high	93.9	Very high	88 Å²	88	38.2 Å²	38.2	41%	0.411	19%	0.186	S	C	.	.	H	α-helix	trans	-63.8	-41.4	170.3	-173.7	169.5	-153.5	0	0	111.1	F93 R94 N99 V100 D101 K382 V508	F93-E97 PolarHBondContact O-N 3.34Å; R94-E97 WeakPolarHBondContact O-CB 3.41Å; R94-E97 PolarHBondContact O-N 3.37Å; E97-N99 VanDerWaalsContact C-N 3.29Å; E97-N99 PolarHBondContact O-N 3.36Å; E97-V100 WeakPolarHBondContact O-CB 3.32Å; E97-V100 PolarHBondContact O-N 3.04Å; E97-D101 PolarHBondContact O-N 3.14Å; E97-K382 IonicContact OE1-NZ 3.47Å; E97-V508 HydrophobicContact CB-CG2 4.26Å
98	M	93.3	Very high	94.6	Very high	21 Å²	21	33.5 Å²	33.5	10%	0.103	16%	0.161	C	C	.	.	H	α-helix	trans	-61.9	-34.7	173.2	-65.2	174.6	77.1	0	0	112.5	R94 K95 M96 D101 N102 Y363	R94-M98 VanDerWaalsContact NH1-CG 3.33Å; R94-M98 WeakPolarHBondContact O-CG 3.21Å; R94-M98 PolarHBondContact O-N 3.33Å; K95-M98 HydrophobicContact CD-SD 4.37Å; K95-M98 WeakPolarHBondContact O-CB 3.31Å; K95-M98 PolarHBondContact O-N 2.64Å; M96-M98 VanDerWaalsContact C-N 3.34Å; M98-D101 PolarHBondContact O-N 2.04Å; M98-N102 VanDerWaalsContact O-CB 3.3Å; M98-N102 WeakPolarHBondContact O-CB 3.36Å; M98-N102 PolarHBondContact O-N 3.12Å; M98-N102 PolarHBondContact O-ND2 2.8Å; M98-N102 VanDerWaalsContact O-ND2 3.16Å; M98-Y363 HydrophobicContact CE-CD2 4.37Å; M98-Y363 HydrophobicContact CE-CE2 3.81Å
99	N	95	Very high	94.9	Very high	61 Å²	61	34 Å²	34	33%	0.326	17%	0.166	S	C	.	.	H	α-helix	trans	-64.4	-41.2	175	-74.2	-11.4	0	0	0	112.1	K95 M96 E97 D101 N102 Y103 Q527	K95-N99 PolarHBondContact O-N 3.34Å; M96-N99 WeakPolarHBondContact O-CB 3.4Å; M96-N99 PolarHBondContact O-N 3.16Å; M96-N99 PolarHBondContact SD-ND2 2.86Å; E97-N99 VanDerWaalsContact C-N 3.29Å; E97-N99 PolarHBondContact O-N 3.36Å; N99-D101 VanDerWaalsContact C-N 3.32Å; N99-N102 PolarHBondContact O-N 2.52Å; N99-Y103 PolarHBondContact O-N 2.98Å; N99-Q527 PolarHBondContact ND2-OE1 3.5Å
100	V	97.2	Very high	95.1	Very high	4 Å²	4	36 Å²	36	2%	0.024	17%	0.174	C	C	.	.	H	α-helix	trans	-61.2	-43.6	172.9	174.2	0	0	0	0	110.3	M96 E97 Y103 F104 Y393 F506 V508	M96-V100 PolarHBondContact O-N 3.23Å; M96-V100 VanDerWaalsContact O-N 3.16Å; E97-V100 WeakPolarHBondContact O-CB 3.32Å; E97-V100 PolarHBondContact O-N 3.04Å; V100-Y103 WeakPolarHBondContact O-CB 3.19Å; V100-Y103 PolarHBondContact O-N 3.46Å; V100-F104 HydrophobicContact CG1-CD2 3.97Å; V100-F104 HydrophobicContact CG1-CE2 3.36Å; V100-F104 HydrophobicContact CG1-CZ 3.91Å; V100-F104 WeakPolarHBondContact O-CD2 3.27Å; V100-F104 PolarHBondContact O-N 3.1Å; V100-Y393 HydrophobicContact CB-CE2 4.38Å; V100-Y393 HydrophobicContact CG1-CD2 4.37Å; V100-Y393 HydrophobicContact CG1-CE2 4Å; V100-Y393 HydrophobicContact CG2-CE2 4.01Å; V100-F506 HydrophobicContact CG1-CD2 4.12Å; V100-V508 HydrophobicContact CG2-CG2 3.87Å
101	D	96.3	Very high	95.1	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-66.2	-39.2	178.6	-72	-8.1	0	0	0	112.6	E97 M98 N99 Y103 F104 W105 F373 I378 K382	E97-D101 PolarHBondContact O-N 3.14Å; M98-D101 PolarHBondContact O-N 2.04Å; N99-D101 VanDerWaalsContact C-N 3.32Å; D101-Y103 VanDerWaalsContact C-N 3.33Å; D101-Y103 PolarHBondContact O-N 2.94Å; D101-F104 PolarHBondContact O-N 3.26Å; D101-W105 PolarHBondContact O-N 3.47Å; D101-F373 HydrophobicContact CB-CZ 4.14Å; D101-I378 HydrophobicContact CB-CG2 3.72Å; D101-K382 VanDerWaalsContact OD1-CD 3.28Å; D101-K382 WeakPolarHBondContact OD1-CD 3.27Å; D101-K382 WeakPolarHBondContact OD1-CE 3.46Å; D101-K382 IonicContact OD1-NZ 2.72Å; D101-K382 PolarHBondContact OD1-NZ 3.34Å; D101-K382 IonicContact OD2-NZ 3.55Å; D101-K382 PolarHBondContact OD2-NZ 3.09Å
102	N	95.3	Very high	95	Very high	51 Å²	51	43 Å²	43	27%	0.273	22%	0.216	S	C	.	.	H	α-helix	trans	-62.9	-39.2	173.7	-78.1	-32.1	0	0	0	111.9	M98 N99 W105 K106 F373	M98-N102 VanDerWaalsContact O-CB 3.3Å; M98-N102 WeakPolarHBondContact O-CB 3.36Å; M98-N102 PolarHBondContact O-N 3.12Å; M98-N102 PolarHBondContact O-ND2 2.8Å; M98-N102 VanDerWaalsContact O-ND2 3.16Å; N99-N102 PolarHBondContact O-N 2.52Å; N102-W105 PolarHBondContact O-N 3.28Å; N102-K106 WeakPolarHBondContact O-CB 3.39Å; N102-K106 VanDerWaalsContact O-CG 3.26Å; N102-K106 WeakPolarHBondContact O-CG 3.47Å; N102-K106 PolarHBondContact O-N 2.93Å; N102-F373 WeakPolarHBondContact OD1-CE2 3.13Å
103	Y	96.8	Very high	95	Very high	30 Å²	30	45.8 Å²	45.8	12%	0.118	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-48.1	172.3	165.9	-97.1	0	0	0	111.1	N99 V100 D101 W105 K106 I107 H392 Y393 S396 H397	N99-Y103 PolarHBondContact O-N 2.98Å; V100-Y103 WeakPolarHBondContact O-CB 3.19Å; V100-Y103 PolarHBondContact O-N 3.46Å; D101-Y103 VanDerWaalsContact C-N 3.33Å; D101-Y103 PolarHBondContact O-N 2.94Å; Y103-W105 VanDerWaalsContact C-N 3.34Å; Y103-W105 PolarHBondContact O-N 3.2Å; Y103-K106 WeakPolarHBondContact O-CB 3.34Å; Y103-K106 PolarHBondContact O-N 3.23Å; Y103-K106 VanDerWaalsContact O-N 3.15Å; Y103-I107 HydrophobicContact CD2-CG2 4.29Å; Y103-I107 HydrophobicContact CE1-CD1 3.92Å; Y103-I107 HydrophobicContact CE1-CG2 4.4Å; Y103-I107 HydrophobicContact CE2-CG2 3.71Å; Y103-I107 PolarHBondContact O-N 3.39Å; Y103-I107 VanDerWaalsContact O-N 3.12Å; Y103-H392 PolarHBondContact OH-O 3.5Å; Y103-Y393 AromaticContact CD1-CD2 3.57Å; Y103-Y393 HydrophobicContact CD1-CD2 3.57Å; Y103-Y393 HydrophobicContact CD1-CE2 4.21Å; Y103-Y393 AromaticContact CE1-CD2 3.78Å; Y103-Y393 HydrophobicContact CE1-CD2 3.78Å; Y103-Y393 HydrophobicContact CE1-CG 4.41Å; Y103-Y393 HydrophobicContact CG-CD2 4.35Å; Y103-S396 VanDerWaalsContact CZ-OG 3.31Å; Y103-S396 PolarHBondContact OH-OG 3.33Å; Y103-H397 AromaticContact CD1-CE1 3.86Å; Y103-H397 AromaticContact CD2-CE1 3.4Å; Y103-H397 WeakPolarHBondContact CD2-CE1 3.42Å; Y103-H397 AromaticContact CD2-NE2 3.95Å; Y103-H397 AromaticContact CE1-CE1 3.99Å; Y103-H397 AromaticContact CE2-CE1 3.53Å; Y103-H397 AromaticContact CG-CE1 3.55Å; Y103-H397 AromaticContact CZ-CE1 3.82Å
104	F	97.6	Very high	94.9	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.5	-42.7	178.7	-66.7	-40.6	0	0	0	112.5	V100 D101 K106 I107 I108 I378 K382 L389 Y393 F506	V100-F104 HydrophobicContact CG1-CD2 3.97Å; V100-F104 HydrophobicContact CG1-CE2 3.36Å; V100-F104 HydrophobicContact CG1-CZ 3.91Å; V100-F104 WeakPolarHBondContact O-CD2 3.27Å; V100-F104 PolarHBondContact O-N 3.1Å; D101-F104 PolarHBondContact O-N 3.26Å; F104-K106 PolarHBondContact O-N 3.45Å; F104-I107 HydrophobicContact CD1-CD1 4.25Å; F104-I107 VanDerWaalsContact O-CG1 3.22Å; F104-I107 WeakPolarHBondContact O-CG1 3.4Å; F104-I107 PolarHBondContact O-N 3.34Å; F104-I108 VanDerWaalsContact O-CB 3.26Å; F104-I108 WeakPolarHBondContact O-CB 3.43Å; F104-I108 WeakPolarHBondContact O-CG1 3.39Å; F104-I108 PolarHBondContact O-N 3.04Å; F104-I378 HydrophobicContact CB-CG2 4.47Å; F104-K382 HydrophobicContact CD2-CD 3.99Å; F104-K382 HydrophobicContact CD2-CG 3.9Å; F104-K382 HydrophobicContact CE2-CD 3.93Å; F104-K382 HydrophobicContact CE2-CG 3.98Å; F104-L389 HydrophobicContact CB-CD2 4.5Å; F104-L389 HydrophobicContact CD1-CB 3.93Å; F104-L389 HydrophobicContact CD1-CD1 4.16Å; F104-L389 HydrophobicContact CD1-CD2 3.86Å; F104-L389 HydrophobicContact CD1-CG 4.2Å; F104-L389 HydrophobicContact CD2-CD1 4.14Å; F104-L389 HydrophobicContact CE1-CB 3.57Å; F104-L389 HydrophobicContact CE1-CD1 4.37Å; F104-L389 HydrophobicContact CE1-CD2 4.39Å; F104-L389 HydrophobicContact CE1-CG 4.33Å; F104-L389 HydrophobicContact CE2-CD1 4.32Å; F104-L389 HydrophobicContact CG-CD1 4.06Å; F104-L389 HydrophobicContact CG-CD2 4.28Å; F104-L389 HydrophobicContact CZ-CB 3.94Å; F104-L389 HydrophobicContact CZ-CD1 4.46Å; F104-Y393 HydrophobicContact CE1-CD2 4.01Å; F104-Y393 HydrophobicContact CE1-CG 4.34Å; F104-Y393 AromaticContact CZ-CD2 3.99Å; F104-Y393 HydrophobicContact CZ-CD2 3.99Å; F104-Y393 HydrophobicContact CZ-CG 4.28Å; F104-F506 HydrophobicContact CE2-CD1 4.49Å; F104-F506 AromaticContact CE2-CD2 3.69Å; F104-F506 HydrophobicContact CE2-CD2 3.69Å; F104-F506 HydrophobicContact CE2-CE1 4.49Å; F104-F506 AromaticContact CE2-CE2 3.75Å; F104-F506 HydrophobicContact CE2-CE2 3.75Å; F104-F506 HydrophobicContact CE2-CG 4.1Å; F104-F506 HydrophobicContact CE2-CZ 4.14Å; F104-F506 HydrophobicContact CZ-CB 4.16Å; F104-F506 AromaticContact CZ-CD1 3.81Å; F104-F506 HydrophobicContact CZ-CD1 3.81Å; F104-F506 AromaticContact CZ-CD2 3.73Å; F104-F506 HydrophobicContact CZ-CD2 3.73Å; F104-F506 HydrophobicContact CZ-CE1 4.06Å; F104-F506 HydrophobicContact CZ-CE2 4.04Å; F104-F506 AromaticContact CZ-CG 3.63Å; F104-F506 HydrophobicContact CZ-CG 3.63Å; F104-F506 HydrophobicContact CZ-CZ 4.18Å
105	W	95.3	Very high	95	Very high	38 Å²	38	53 Å²	53	14%	0.144	26%	0.262	C	S	.	.	H	α-helix	trans	-59.4	-46.2	172.9	171.4	82.5	0	0	0	111.8	D101 N102 Y103 I107 I108 A109 Y127 P371 F373 I378	D101-W105 PolarHBondContact O-N 3.47Å; N102-W105 PolarHBondContact O-N 3.28Å; Y103-W105 VanDerWaalsContact C-N 3.34Å; Y103-W105 PolarHBondContact O-N 3.2Å; W105-I107 VanDerWaalsContact C-N 3.34Å; W105-I107 PolarHBondContact O-N 3.46Å; W105-I108 PolarHBondContact O-N 2.96Å; W105-I108 VanDerWaalsContact O-N 3.15Å; W105-A109 HydrophobicContact CD2-CB 4.46Å; W105-A109 HydrophobicContact CZ2-CB 4.5Å; W105-A109 WeakPolarHBondContact O-CB 3.44Å; W105-A109 PolarHBondContact O-N 3.33Å; W105-Y127 AromaticContact CD1-CZ 3.99Å; W105-P371 HydrophobicContact CZ2-CG 4.18Å; W105-P371 WeakPolarHBondContact CZ2-O 3.48Å; W105-P371 PolarHBondContact NE1-O 3.03Å; W105-F373 HydrophobicContact CB-CD2 3.51Å; W105-F373 HydrophobicContact CB-CE2 3.62Å; W105-F373 AromaticContact CD1-CD2 3.72Å; W105-F373 AromaticContact CD2-CD2 3.84Å; W105-F373 HydrophobicContact CD2-CD2 3.84Å; W105-F373 HydrophobicContact CE3-CD2 4.39Å; W105-F373 AromaticContact CG-CD2 3.41Å; W105-F373 HydrophobicContact CG-CD2 3.41Å; W105-F373 VanDerWaalsContact CG-CD2 3.41Å; W105-F373 HydrophobicContact CG-CE2 4.07Å; W105-F373 HydrophobicContact CG-CG 4.43Å; W105-I378 HydrophobicContact CB-CD1 3.82Å; W105-I378 HydrophobicContact CB-CG1 4.37Å
106	K	95.1	Very high	95.1	Very high	136 Å²	136	58.9 Å²	58.9	59%	0.591	29%	0.29	S	S	*	.	H	α-helix	trans	-56.7	-44.1	179.6	-77.2	171.6	-176.7	177.1	0	112.6	N102 Y103 F104 N110	N102-K106 WeakPolarHBondContact O-CB 3.39Å; N102-K106 VanDerWaalsContact O-CG 3.26Å; N102-K106 WeakPolarHBondContact O-CG 3.47Å; N102-K106 PolarHBondContact O-N 2.93Å; Y103-K106 WeakPolarHBondContact O-CB 3.34Å; Y103-K106 PolarHBondContact O-N 3.23Å; Y103-K106 VanDerWaalsContact O-N 3.15Å; F104-K106 PolarHBondContact O-N 3.45Å; K106-N110 VanDerWaalsContact O-CB 3.32Å; K106-N110 WeakPolarHBondContact O-CB 3.04Å; K106-N110 PolarHBondContact O-N 2.94Å
107	I	96.3	Very high	95.1	Very high	6 Å²	6	59.3 Å²	59.3	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-74.9	-28.6	-179.9	67.1	169.1	0	0	0	112.7	Y103 F104 W105 Y113 R124 L389 H392	Y103-I107 HydrophobicContact CD2-CG2 4.29Å; Y103-I107 HydrophobicContact CE1-CD1 3.92Å; Y103-I107 HydrophobicContact CE1-CG2 4.4Å; Y103-I107 HydrophobicContact CE2-CG2 3.71Å; Y103-I107 PolarHBondContact O-N 3.39Å; Y103-I107 VanDerWaalsContact O-N 3.12Å; F104-I107 HydrophobicContact CD1-CD1 4.25Å; F104-I107 VanDerWaalsContact O-CG1 3.22Å; F104-I107 WeakPolarHBondContact O-CG1 3.4Å; F104-I107 PolarHBondContact O-N 3.34Å; W105-I107 VanDerWaalsContact C-N 3.34Å; W105-I107 PolarHBondContact O-N 3.46Å; I107-Y113 HydrophobicContact CB-CD1 3.62Å; I107-Y113 HydrophobicContact CB-CE1 3.61Å; I107-Y113 HydrophobicContact CB-CG 4.23Å; I107-Y113 HydrophobicContact CD1-CE1 4.42Å; I107-Y113 HydrophobicContact CG2-CD1 3.97Å; I107-Y113 HydrophobicContact CG2-CD2 4.44Å; I107-Y113 HydrophobicContact CG2-CE1 3.59Å; I107-Y113 HydrophobicContact CG2-CE2 4.11Å; I107-Y113 HydrophobicContact CG2-CG 4.37Å; I107-R124 PolarHBondContact O-NH2 3.43Å; I107-L389 HydrophobicContact CD1-CD2 4.44Å; I107-H392 HydrophobicContact CD1-CB 3.92Å
108	I	95.9	Very high	95	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-81.4	-41.1	-179.9	-70.8	-75.5	0	0	0	111.4	F104 W105 N110 L120 A123 R124 Y127 L381 L389	F104-I108 VanDerWaalsContact O-CB 3.26Å; F104-I108 WeakPolarHBondContact O-CB 3.43Å; F104-I108 WeakPolarHBondContact O-CG1 3.39Å; F104-I108 PolarHBondContact O-N 3.04Å; W105-I108 PolarHBondContact O-N 2.96Å; W105-I108 VanDerWaalsContact O-N 3.15Å; I108-N110 VanDerWaalsContact C-N 3.33Å; I108-L120 HydrophobicContact CD1-CD1 3.81Å; I108-A123 HydrophobicContact CD1-CB 4.2Å; I108-R124 HydrophobicContact CD1-CB 4.38Å; I108-R124 HydrophobicContact CG2-CG 4.37Å; I108-R124 VanDerWaalsContact O-CD 3.24Å; I108-R124 WeakPolarHBondContact O-CD 3.37Å; I108-R124 WeakPolarHBondContact O-CG 3.24Å; I108-R124 PolarHBondContact O-NE 3.09Å; I108-Y127 HydrophobicContact CG2-CD1 3.51Å; I108-Y127 HydrophobicContact CG2-CD2 4.43Å; I108-Y127 HydrophobicContact CG2-CE1 4.35Å; I108-Y127 HydrophobicContact CG2-CG 3.57Å; I108-L381 HydrophobicContact CB-CD2 4.41Å; I108-L381 HydrophobicContact CD1-CD1 4.49Å; I108-L381 HydrophobicContact CD1-CD2 3.89Å; I108-L381 HydrophobicContact CG1-CD2 3.63Å; I108-L381 HydrophobicContact CG2-CD2 4.29Å; I108-L389 HydrophobicContact CD1-CD2 4.38Å; I108-L389 HydrophobicContact CG1-CD2 4.45Å
109	A	92	Very high	95.1	Very high	28 Å²	28	62.4 Å²	62.4	23%	0.231	30%	0.299	C	S	.	.	H	α-helix	trans	-68	-30.9	177.3	0	0	0	0	0	112.8	W105 D111 P371	W105-A109 HydrophobicContact CD2-CB 4.46Å; W105-A109 HydrophobicContact CZ2-CB 4.5Å; W105-A109 WeakPolarHBondContact O-CB 3.44Å; W105-A109 PolarHBondContact O-N 3.33Å; A109-D111 PolarHBondContact O-N 3.3Å; A109-P371 HydrophobicContact CB-CB 4.38Å; A109-P371 HydrophobicContact CB-CG 3.63Å
110	N	93.5	Very high	95.2	Very high	77 Å²	77	59.5 Å²	59.5	41%	0.412	28%	0.284	S	S	.	.			trans	-82.1	95.1	178.2	-177.3	-5	0	0	0	111.3	K106 I108 S112 Y113 R124	K106-N110 VanDerWaalsContact O-CB 3.32Å; K106-N110 WeakPolarHBondContact O-CB 3.04Å; K106-N110 PolarHBondContact O-N 2.94Å; I108-N110 VanDerWaalsContact C-N 3.33Å; N110-S112 PolarHBondContact O-N 2.82Å; N110-S112 WeakPolarHBondContact OD1-CB 2.99Å; N110-S112 PolarHBondContact OD1-N 2.99Å; N110-S112 VanDerWaalsContact OD1-N 3.08Å; N110-Y113 WeakPolarHBondContact O-CB 3.15Å; N110-Y113 PolarHBondContact O-N 3.29Å; N110-Y113 PolarHBondContact OD1-N 3.32Å; N110-R124 PolarHBondContact O-NH2 3.15Å
111	D	92.5	Very high	95.1	Very high	80 Å²	80	62 Å²	62	43%	0.428	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-29.6	178.9	-80.6	-35.7	0	0	0	113.8	A109 R124 K128	A109-D111 PolarHBondContact O-N 3.3Å; D111-R124 PolarHBondContact O-NH1 3.49Å; D111-R124 WeakPolarHBondContact OD1-CD 3.38Å; D111-R124 IonicContact OD1-NE 2.88Å; D111-K128 WeakPolarHBondContact OD1-CE 3.33Å; D111-K128 IonicContact OD1-NZ 3.94Å; D111-K128 PolarHBondContact OD1-NZ 2.96Å; D111-K128 IonicContact OD2-NZ 2.73Å; D111-K128 PolarHBondContact OD2-NZ 2.86Å
112	S	94.4	Very high	95.1	Very high	92 Å²	92	63 Å²	63	64%	0.643	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-21.2	-179.8	-58.8	0	0	0	0	113.6	N110 H114 K115	N110-S112 PolarHBondContact O-N 2.82Å; N110-S112 WeakPolarHBondContact OD1-CB 2.99Å; N110-S112 PolarHBondContact OD1-N 2.99Å; N110-S112 VanDerWaalsContact OD1-N 3.08Å; S112-H114 PolarHBondContact O-N 2.87Å; S112-K115 PolarHBondContact O-N 2.85Å
113	Y	94.8	Very high	95.2	Very high	61 Å²	61	60.5 Å²	60.5	24%	0.239	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	118.4	179.1	-175	-94.6	0	0	0	109.9	I107 N110 K115 L120 R124 H392	I107-Y113 HydrophobicContact CB-CD1 3.62Å; I107-Y113 HydrophobicContact CB-CE1 3.61Å; I107-Y113 HydrophobicContact CB-CG 4.23Å; I107-Y113 HydrophobicContact CD1-CE1 4.42Å; I107-Y113 HydrophobicContact CG2-CD1 3.97Å; I107-Y113 HydrophobicContact CG2-CD2 4.44Å; I107-Y113 HydrophobicContact CG2-CE1 3.59Å; I107-Y113 HydrophobicContact CG2-CE2 4.11Å; I107-Y113 HydrophobicContact CG2-CG 4.37Å; N110-Y113 WeakPolarHBondContact O-CB 3.15Å; N110-Y113 PolarHBondContact O-N 3.29Å; N110-Y113 PolarHBondContact OD1-N 3.32Å; Y113-K115 VanDerWaalsContact C-N 3.28Å; Y113-K115 PolarHBondContact O-N 2.68Å; Y113-L120 HydrophobicContact CD1-CD2 3.77Å; Y113-L120 HydrophobicContact CE1-CD2 4.24Å; Y113-R124 PolarHBondContact O-NH2 3.47Å; Y113-R124 VanDerWaalsContact O-NH2 3.08Å; Y113-H392 AromaticContact CE1-ND1 3.72Å
114	H	94.6	Very high	95.2	Very high	107 Å²	107	59.2 Å²	59.2	50%	0.495	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	42.9	52.5	-175.8	-74.1	-93.2	0	0	0	112.8	S112 E116 D117 L120 Q121 H392	S112-H114 PolarHBondContact O-N 2.87Å; H114-E116 PolarHBondContact O-N 3.01Å; H114-E116 VanDerWaalsContact O-N 3.09Å; H114-D117 HydrophobicContact CB-CB 3.97Å; H114-D117 VanDerWaalsContact O-CB 3.25Å; H114-D117 WeakPolarHBondContact O-CB 3.46Å; H114-D117 PolarHBondContact O-N 3.02Å; H114-L120 HydrophobicContact CB-CD2 3.95Å; H114-Q121 PolarHBondContact O-NE2 3.08Å; H114-H392 AromaticContact CD2-CE1 3.88Å; H114-H392 AromaticContact CG-CE1 3.75Å
115	K	93.7	Very high	95.1	Very high	153 Å²	153	59.8 Å²	59.8	67%	0.665	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-32.3	-176.5	-174.3	176.3	178	179	0	114.3	S112 Y113 D117 Q121	S112-K115 PolarHBondContact O-N 2.85Å; Y113-K115 VanDerWaalsContact C-N 3.28Å; Y113-K115 PolarHBondContact O-N 2.68Å; K115-D117 VanDerWaalsContact C-N 3.32Å; K115-Q121 PolarHBondContact O-NE2 3.49Å
116	E	96.2	Very high	95.1	Very high	191 Å²	191	58 Å²	58	89%	0.893	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-13	179.6	-61.5	179.8	174.2	0	0	113.5	H114 W118	H114-E116 PolarHBondContact O-N 3.01Å; H114-E116 VanDerWaalsContact O-N 3.09Å; E116-W118 PolarHBondContact O-N 2.71Å
117	D	95.6	Very high	95.1	Very high	20 Å²	20	52 Å²	52	11%	0.107	26%	0.255	C	S	.	.			trans	-77.8	88.3	177.3	-178.2	6	0	0	0	110.4	H114 K115 R119 L120 Q121 R391 H392	H114-D117 HydrophobicContact CB-CB 3.97Å; H114-D117 VanDerWaalsContact O-CB 3.25Å; H114-D117 WeakPolarHBondContact O-CB 3.46Å; H114-D117 PolarHBondContact O-N 3.02Å; K115-D117 VanDerWaalsContact C-N 3.32Å; D117-R119 PolarHBondContact O-N 3.5Å; D117-R119 VanDerWaalsContact O-N 3.15Å; D117-R119 PolarHBondContact OD1-N 3.48Å; D117-L120 HydrophobicContact CB-CB 3.96Å; D117-L120 WeakPolarHBondContact O-CB 3.35Å; D117-L120 PolarHBondContact O-N 2.72Å; D117-L120 PolarHBondContact OD1-N 2.74Å; D117-L120 VanDerWaalsContact OD2-CB 3.3Å; D117-L120 WeakPolarHBondContact OD2-CB 3.33Å; D117-Q121 WeakPolarHBondContact O-CG 3.48Å; D117-Q121 PolarHBondContact O-N 2.95Å; D117-R391 IonicContact OD1-NH2 3.16Å; D117-R391 PolarHBondContact OD1-NH2 3.23Å; D117-R391 IonicContact OD2-CZ 2.68Å; D117-R391 IonicContact OD2-NH2 3.49Å; D117-R391 PolarHBondContact OD2-NH2 3.41Å; D117-H392 IonicContact OD2-CD2 3.67Å; D117-H392 IonicContact OD2-CE1 3.04Å; D117-H392 PolarHBondContact OD2-CE1 3.16Å; D117-H392 IonicContact OD2-NE2 3.78Å; D117-H392 PolarHBondContact OD2-NE2 3.28Å
118	W	94.9	Very high	95.1	Very high	128 Å²	128	53.9 Å²	53.9	49%	0.485	26%	0.263	S	S	.	.	H	α-helix	trans	-59.3	-26	-177.3	73.5	-91	0	0	0	113.7	E116 Q121 T122	E116-W118 PolarHBondContact O-N 2.71Å; W118-Q121 PolarHBondContact O-N 3.39Å; W118-T122 PolarHBondContact O-N 2.95Å; W118-T122 PolarHBondContact O-OG1 3.26Å
119	R	95.1	Very high	95	Very high	46 Å²	46	53.8 Å²	53.8	17%	0.174	26%	0.262	C	S	.	.	H	α-helix	trans	-73.5	-40.8	176.1	-66.3	-170.7	178.3	90.5	-2.9	111	D117 Q121 T122 A123 T388 E458	D117-R119 PolarHBondContact O-N 3.5Å; D117-R119 VanDerWaalsContact O-N 3.15Å; D117-R119 PolarHBondContact OD1-N 3.48Å; R119-Q121 VanDerWaalsContact C-N 3.32Å; R119-T122 WeakPolarHBondContact O-CB 3.37Å; R119-T122 PolarHBondContact O-N 2.67Å; R119-A123 PolarHBondContact O-N 3.08Å; R119-T388 HydrophobicContact CB-CG2 4.45Å; R119-E458 VanDerWaalsContact CB-OE1 3.31Å; R119-E458 WeakPolarHBondContact CB-OE1 3.47Å; R119-E458 VanDerWaalsContact CD-OE1 3.26Å; R119-E458 WeakPolarHBondContact CD-OE1 3.49Å
120	L	96.2	Very high	95.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.7	-39.3	168.5	-177.7	68	0	0	0	111.5	I108 Y113 H114 D117 T122 A123 R124 T388	I108-L120 HydrophobicContact CD1-CD1 3.81Å; Y113-L120 HydrophobicContact CD1-CD2 3.77Å; Y113-L120 HydrophobicContact CE1-CD2 4.24Å; H114-L120 HydrophobicContact CB-CD2 3.95Å; D117-L120 HydrophobicContact CB-CB 3.96Å; D117-L120 WeakPolarHBondContact O-CB 3.35Å; D117-L120 PolarHBondContact O-N 2.72Å; D117-L120 PolarHBondContact OD1-N 2.74Å; D117-L120 VanDerWaalsContact OD2-CB 3.3Å; D117-L120 WeakPolarHBondContact OD2-CB 3.33Å; L120-T122 VanDerWaalsContact C-N 3.27Å; L120-T122 PolarHBondContact O-N 3.27Å; L120-A123 PolarHBondContact O-N 2.97Å; L120-R124 WeakPolarHBondContact O-CB 3.26Å; L120-R124 PolarHBondContact O-N 2.83Å; L120-T388 HydrophobicContact CB-CG2 4.24Å; L120-T388 HydrophobicContact CD1-CG2 4.3Å
121	Q	95.7	Very high	95	Very high	55 Å²	55	50.5 Å²	50.5	26%	0.257	24%	0.242	S	C	.	.	H	α-helix	trans	-61.1	-37.2	173.5	-58.9	-42.9	-56.1	0	0	112.1	H114 K115 D117 W118 R119 R124 A125	H114-Q121 PolarHBondContact O-NE2 3.08Å; K115-Q121 PolarHBondContact O-NE2 3.49Å; D117-Q121 WeakPolarHBondContact O-CG 3.48Å; D117-Q121 PolarHBondContact O-N 2.95Å; W118-Q121 PolarHBondContact O-N 3.39Å; R119-Q121 VanDerWaalsContact C-N 3.32Å; Q121-R124 PolarHBondContact O-N 3.11Å; Q121-A125 WeakPolarHBondContact O-CB 3.47Å; Q121-A125 PolarHBondContact O-N 2.62Å
122	T	96.1	Very high	94.8	Very high	22 Å²	22	52.2 Å²	52.2	14%	0.135	25%	0.251	C	S	.	.	H	α-helix	trans	-65.6	-44.9	175.6	-54.7	0	0	0	0	111.1	W118 R119 L120 R124 A125 F126 F385 I468	W118-T122 PolarHBondContact O-N 2.95Å; W118-T122 PolarHBondContact O-OG1 3.26Å; R119-T122 WeakPolarHBondContact O-CB 3.37Å; R119-T122 PolarHBondContact O-N 2.67Å; L120-T122 VanDerWaalsContact C-N 3.27Å; L120-T122 PolarHBondContact O-N 3.27Å; T122-R124 VanDerWaalsContact C-N 3.32Å; T122-R124 PolarHBondContact O-N 3.48Å; T122-A125 PolarHBondContact O-N 2.87Å; T122-F126 PolarHBondContact O-N 3.08Å; T122-F126 VanDerWaalsContact O-N 3.07Å; T122-F385 HydrophobicContact CG2-CE1 3.8Å; T122-F385 HydrophobicContact CG2-CZ 4.18Å; T122-I468 HydrophobicContact CG2-CB 3.74Å; T122-I468 HydrophobicContact CG2-CG1 3.66Å; T122-I468 HydrophobicContact CG2-CG2 4.35Å
123	A	96.7	Very high	94.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.7	-39.2	174.7	0	0	0	0	0	111.7	I108 R119 L120 F126 Y127 L381 F385 T388	I108-A123 HydrophobicContact CD1-CB 4.2Å; R119-A123 PolarHBondContact O-N 3.08Å; L120-A123 PolarHBondContact O-N 2.97Å; A123-F126 WeakPolarHBondContact O-CB 3.47Å; A123-F126 PolarHBondContact O-N 3.38Å; A123-Y127 PolarHBondContact O-N 3.47Å; A123-L381 HydrophobicContact CB-CD1 4.02Å; A123-L381 WeakPolarHBondContact O-CD1 3.48Å; A123-F385 HydrophobicContact CB-CB 3.9Å; A123-F385 HydrophobicContact CB-CD1 3.78Å; A123-F385 HydrophobicContact CB-CD2 4.15Å; A123-F385 HydrophobicContact CB-CE1 4.35Å; A123-F385 HydrophobicContact CB-CG 3.66Å; A123-T388 HydrophobicContact CB-CG2 4.4Å
124	R	96.2	Very high	94.1	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-64	-44.3	175	-175.6	174.5	-60.7	146.4	-3.7	112.2	I107 I108 N110 D111 Y113 L120 Q121 T122 F126 Y127 K128	I107-R124 PolarHBondContact O-NH2 3.43Å; I108-R124 HydrophobicContact CD1-CB 4.38Å; I108-R124 HydrophobicContact CG2-CG 4.37Å; I108-R124 VanDerWaalsContact O-CD 3.24Å; I108-R124 WeakPolarHBondContact O-CD 3.37Å; I108-R124 WeakPolarHBondContact O-CG 3.24Å; I108-R124 PolarHBondContact O-NE 3.09Å; N110-R124 PolarHBondContact O-NH2 3.15Å; D111-R124 PolarHBondContact O-NH1 3.49Å; D111-R124 WeakPolarHBondContact OD1-CD 3.38Å; D111-R124 IonicContact OD1-NE 2.88Å; Y113-R124 PolarHBondContact O-NH2 3.47Å; Y113-R124 VanDerWaalsContact O-NH2 3.08Å; L120-R124 WeakPolarHBondContact O-CB 3.26Å; L120-R124 PolarHBondContact O-N 2.83Å; Q121-R124 PolarHBondContact O-N 3.11Å; T122-R124 VanDerWaalsContact C-N 3.32Å; T122-R124 PolarHBondContact O-N 3.48Å; R124-F126 VanDerWaalsContact C-N 3.26Å; R124-F126 PolarHBondContact O-N 3.19Å; R124-Y127 PolarHBondContact O-N 3.4Å; R124-K128 HydrophobicContact CG-CD 4.27Å; R124-K128 WeakPolarHBondContact O-CB 3.31Å; R124-K128 WeakPolarHBondContact O-CG 3.36Å; R124-K128 PolarHBondContact O-N 2.86Å
125	A	96.1	Very high	93.7	Very high	12 Å²	12	44.8 Å²	44.8	10%	0.099	21%	0.21	C	C	.	.	H	α-helix	trans	-60.4	-38.4	175.5	0	0	0	0	0	111.6	Q121 T122 S129 I468 E470	Q121-A125 WeakPolarHBondContact O-CB 3.47Å; Q121-A125 PolarHBondContact O-N 2.62Å; T122-A125 PolarHBondContact O-N 2.87Å; A125-S129 WeakPolarHBondContact O-CB 3.2Å; A125-S129 PolarHBondContact O-N 2.86Å; A125-I468 HydrophobicContact CB-CG2 4.34Å; A125-E470 HydrophobicContact CB-CG 3.84Å
126	F	96.2	Very high	93.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.6	-51.4	172.4	175.3	-103.4	0	0	0	112.2	T122 A123 R124 K128 S129 C130 R380 L381 F385 I468 Y473 N476 E477 I480	T122-F126 PolarHBondContact O-N 3.08Å; T122-F126 VanDerWaalsContact O-N 3.07Å; A123-F126 WeakPolarHBondContact O-CB 3.47Å; A123-F126 PolarHBondContact O-N 3.38Å; R124-F126 VanDerWaalsContact C-N 3.26Å; R124-F126 PolarHBondContact O-N 3.19Å; F126-K128 PolarHBondContact O-N 3.03Å; F126-S129 WeakPolarHBondContact O-CB 3.46Å; F126-S129 PolarHBondContact O-N 3.39Å; F126-S129 VanDerWaalsContact O-N 3.12Å; F126-S129 PolarHBondContact O-OG 3.12Å; F126-C130 PolarHBondContact O-N 2.91Å; F126-R380 HydrophobicContact CE1-CB 3.94Å; F126-R380 HydrophobicContact CZ-CB 3.95Å; F126-L381 HydrophobicContact CD1-CB 4.3Å; F126-L381 HydrophobicContact CD1-CD1 3.79Å; F126-L381 HydrophobicContact CE1-CB 4.32Å; F126-F385 HydrophobicContact CB-CD2 4.33Å; F126-F385 HydrophobicContact CB-CE2 3.46Å; F126-F385 VanDerWaalsContact CB-CE2 3.46Å; F126-F385 HydrophobicContact CB-CZ 3.98Å; F126-F385 HydrophobicContact CD1-CD2 4.19Å; F126-F385 AromaticContact CD1-CE2 3.86Å; F126-F385 HydrophobicContact CD1-CE2 3.86Å; F126-F385 HydrophobicContact CD2-CE2 4.28Å; F126-F385 HydrophobicContact CG-CD2 4.35Å; F126-F385 AromaticContact CG-CE2 3.59Å; F126-F385 HydrophobicContact CG-CE2 3.59Å; F126-F385 HydrophobicContact CG-CZ 4.46Å; F126-I468 HydrophobicContact CB-CG2 3.77Å; F126-Y473 HydrophobicContact CE2-CD2 4.06Å; F126-Y473 AromaticContact CE2-CE2 3.91Å; F126-Y473 HydrophobicContact CE2-CE2 3.91Å; F126-Y473 HydrophobicContact CZ-CD2 4.39Å; F126-Y473 AromaticContact CZ-CE2 3.84Å; F126-Y473 HydrophobicContact CZ-CE2 3.84Å; F126-N476 HydrophobicContact CD2-CB 3.66Å; F126-N476 HydrophobicContact CE2-CB 4Å; F126-E477 HydrophobicContact CE2-CG 4.37Å; F126-E477 WeakPolarHBondContact CZ-OE1 3.43Å; F126-I480 HydrophobicContact CD1-CD1 4.37Å; F126-I480 HydrophobicContact CD2-CD1 3.56Å; F126-I480 HydrophobicContact CE1-CD1 4.07Å; F126-I480 HydrophobicContact CE2-CD1 3.18Å; F126-I480 HydrophobicContact CG-CD1 4.13Å; F126-I480 HydrophobicContact CZ-CD1 3.45Å; F126-I480 VanDerWaalsContact CZ-CD1 3.45Å
127	Y	95.5	Very high	93	Very high	10 Å²	10	35.9 Å²	35.9	4%	0.039	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-47.3	179.6	179.9	-97.2	0	0	0	111.8	W105 I108 A123 R124 S129 C130 V131 H372 D374 C377 I378 L381	W105-Y127 AromaticContact CD1-CZ 3.99Å; I108-Y127 HydrophobicContact CG2-CD1 3.51Å; I108-Y127 HydrophobicContact CG2-CD2 4.43Å; I108-Y127 HydrophobicContact CG2-CE1 4.35Å; I108-Y127 HydrophobicContact CG2-CG 3.57Å; A123-Y127 PolarHBondContact O-N 3.47Å; R124-Y127 PolarHBondContact O-N 3.4Å; Y127-S129 VanDerWaalsContact C-N 3.27Å; Y127-S129 PolarHBondContact O-N 3.38Å; Y127-C130 WeakPolarHBondContact O-CB 3.08Å; Y127-C130 PolarHBondContact O-N 3.29Å; Y127-V131 HydrophobicContact CD1-CG2 4.17Å; Y127-V131 HydrophobicContact CE1-CG2 3.63Å; Y127-V131 HydrophobicContact CE2-CG2 4.09Å; Y127-V131 PolarHBondContact O-N 2.94Å; Y127-H372 PolarHBondContact OH-O 2.85Å; Y127-D374 PolarHBondContact OH-N 3.13Å; Y127-D374 VanDerWaalsContact OH-N 3.13Å; Y127-C377 HydrophobicContact CD2-CB 3.87Å; Y127-C377 HydrophobicContact CE2-CB 3.61Å; Y127-I378 HydrophobicContact CD2-CD1 3.83Å; Y127-I378 HydrophobicContact CE2-CD1 3.39Å; Y127-I378 HydrophobicContact CE2-CG1 3.78Å; Y127-L381 HydrophobicContact CD2-CD2 4.05Å; Y127-L381 HydrophobicContact CG-CD2 4.34Å
128	K	94.7	Very high	92.7	Very high	46 Å²	46	36 Å²	36	20%	0.2	18%	0.182	C	C	.	.	H	α-helix	trans	-57.8	-40	175.2	-73.2	178.8	178.8	-178.4	0	111.8	D111 R124 F126 C130 V131 N132 E470	D111-K128 WeakPolarHBondContact OD1-CE 3.33Å; D111-K128 IonicContact OD1-NZ 3.94Å; D111-K128 PolarHBondContact OD1-NZ 2.96Å; D111-K128 IonicContact OD2-NZ 2.73Å; D111-K128 PolarHBondContact OD2-NZ 2.86Å; R124-K128 HydrophobicContact CG-CD 4.27Å; R124-K128 WeakPolarHBondContact O-CB 3.31Å; R124-K128 WeakPolarHBondContact O-CG 3.36Å; R124-K128 PolarHBondContact O-N 2.86Å; F126-K128 PolarHBondContact O-N 3.03Å; K128-C130 VanDerWaalsContact C-N 3.34Å; K128-C130 PolarHBondContact O-N 3.18Å; K128-V131 PolarHBondContact O-N 3.25Å; K128-N132 VanDerWaalsContact O-CB 3.26Å; K128-N132 WeakPolarHBondContact O-CB 3.25Å; K128-N132 PolarHBondContact O-N 3.25Å; K128-N132 PolarHBondContact O-ND2 3.42Å; K128-E470 HydrophobicContact CB-CG 4.08Å; K128-E470 HydrophobicContact CD-CG 4.36Å; K128-E470 VanDerWaalsContact CD-OE1 3.27Å; K128-E470 WeakPolarHBondContact CD-OE1 3.44Å; K128-E470 IonicContact NZ-OE1 2.66Å
129	S	94.3	Very high	92.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62	-42.3	174.3	80.2	0	0	0	0	112.1	A125 F126 Y127 S133 R469 E470 Y473 N476	A125-S129 WeakPolarHBondContact O-CB 3.2Å; A125-S129 PolarHBondContact O-N 2.86Å; F126-S129 WeakPolarHBondContact O-CB 3.46Å; F126-S129 PolarHBondContact O-N 3.39Å; F126-S129 VanDerWaalsContact O-N 3.12Å; F126-S129 PolarHBondContact O-OG 3.12Å; Y127-S129 VanDerWaalsContact C-N 3.27Å; Y127-S129 PolarHBondContact O-N 3.38Å; S129-S133 WeakPolarHBondContact O-CA 3.45Å; S129-S133 VanDerWaalsContact O-CB 3.3Å; S129-S133 WeakPolarHBondContact O-CB 3.36Å; S129-S133 PolarHBondContact O-N 3.39Å; S129-S133 PolarHBondContact O-OG 3.02Å; S129-R469 VanDerWaalsContact CB-O 3.3Å; S129-R469 WeakPolarHBondContact CB-O 3.34Å; S129-E470 WeakPolarHBondContact CA-O 3.32Å; S129-E470 WeakPolarHBondContact CB-O 3.5Å; S129-Y473 WeakPolarHBondContact O-CB 3.49Å; S129-N476 WeakPolarHBondContact CB-ND2 3.41Å; S129-N476 PolarHBondContact OG-ND2 3.31Å
130	C	93.6	Very high	92.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.1	-47.1	179.7	-176.8	0	0	0	0	111.7	F126 Y127 K128 R134 C377 Y473	F126-C130 PolarHBondContact O-N 2.91Å; Y127-C130 WeakPolarHBondContact O-CB 3.08Å; Y127-C130 PolarHBondContact O-N 3.29Å; K128-C130 VanDerWaalsContact C-N 3.34Å; K128-C130 PolarHBondContact O-N 3.18Å; C130-R134 VanDerWaalsContact O-CB 3.29Å; C130-R134 WeakPolarHBondContact O-CB 3.37Å; C130-C377 HydrophobicContact CB-CB 3.72Å; C130-C377 WeakPolarHBondContact CB-SG 3.23Å; C130-C377 WeakPolarHBondContact SG-CA 3.41Å; C130-C377 WeakPolarHBondContact SG-CB 3.48Å; C130-C377 CovalentContact SG-SG 2.04Å; C130-C377 PolarHBondContact SG-SG 3.06Å; C130-Y473 VanDerWaalsContact CA-CD2 3.49Å; C130-Y473 HydrophobicContact CB-CD2 3.59Å; C130-Y473 HydrophobicContact CB-CE2 3.69Å; C130-Y473 HydrophobicContact CB-CG 4.36Å
131	V	90.9	Very high	91.9	Very high	36 Å²	36	35.2 Å²	35.2	22%	0.218	18%	0.184	C	C	.	.	H	α-helix	trans	-67.9	-44.9	-180	178.2	0	0	0	0	111.6	Y127 K128 H372 D374 C377	Y127-V131 HydrophobicContact CD1-CG2 4.17Å; Y127-V131 HydrophobicContact CE1-CG2 3.63Å; Y127-V131 HydrophobicContact CE2-CG2 4.09Å; Y127-V131 PolarHBondContact O-N 2.94Å; K128-V131 PolarHBondContact O-N 3.25Å; V131-H372 HydrophobicContact CG1-CB 4.49Å; V131-D374 HydrophobicContact CG2-CB 4.09Å; V131-C377 HydrophobicContact CG2-CB 4.23Å
132	N	89.3	Confident	91.7	Very high	116 Å²	116	32.6 Å²	32.6	62%	0.62	17%	0.172	S	C	*	.	H	α-helix	trans	-95.8	-19.6	-167.5	-60.5	-31.3	0	0	0	114.3	K128	K128-N132 VanDerWaalsContact O-CB 3.26Å; K128-N132 WeakPolarHBondContact O-CB 3.25Å; K128-N132 PolarHBondContact O-N 3.25Å; K128-N132 PolarHBondContact O-ND2 3.42Å
133	S	87.1	Confident	91.5	Very high	7 Å²	7	32.7 Å²	32.7	5%	0.049	17%	0.17	C	C	.	.	H	α-helix	trans	-122.1	14.2	-171.8	80.8	0	0	0	0	114.5	S129 N135 T138 Y473	S129-S133 WeakPolarHBondContact O-CA 3.45Å; S129-S133 VanDerWaalsContact O-CB 3.3Å; S129-S133 WeakPolarHBondContact O-CB 3.36Å; S129-S133 PolarHBondContact O-N 3.39Å; S129-S133 PolarHBondContact O-OG 3.02Å; S133-N135 VanDerWaalsContact C-N 3.3Å; S133-N135 PolarHBondContact O-N 3.04Å; S133-T138 VanDerWaalsContact O-CB 3.25Å; S133-T138 WeakPolarHBondContact O-CB 3.47Å; S133-T138 WeakPolarHBondContact O-CG2 3.34Å; S133-Y473 VanDerWaalsContact OG-CB 3.28Å; S133-Y473 WeakPolarHBondContact OG-CB 3.23Å; S133-Y473 PolarHBondContact OG-N 2.91Å
134	R	86.9	Confident	91.3	Very high	39 Å²	39	33.3 Å²	33.3	15%	0.147	17%	0.173	C	C	.	.			trans	-79.5	73.4	172.3	-170.7	177.1	68.4	-149	-12.8	111.2	C130 N355 T358 D374 Y473	C130-R134 VanDerWaalsContact O-CB 3.29Å; C130-R134 WeakPolarHBondContact O-CB 3.37Å; R134-N355 WeakPolarHBondContact CD-O 3.45Å; R134-T358 PolarHBondContact NE-O 2.95Å; R134-T358 PolarHBondContact NH2-O 3.42Å; R134-D374 IonicContact CZ-OD2 3.13Å; R134-D374 VanDerWaalsContact CZ-OD2 3.29Å; R134-D374 IonicContact NH1-OD1 3.01Å; R134-D374 IonicContact NH1-OD2 3.47Å; R134-D374 PolarHBondContact NH1-OD2 3.01Å; R134-D374 IonicContact NH2-OD2 3.79Å; R134-D374 PolarHBondContact NH2-OD2 3.34Å; R134-Y473 HydrophobicContact CB-CD1 4.45Å
135	N	86.7	Confident	91	Very high	58 Å²	58	37 Å²	37	31%	0.31	19%	0.19	S	C	.	.	S	Bend	trans	-137.7	165.6	176.5	68.4	71.7	0	0	0	112.1	S133 N137 T138 A139	S133-N135 VanDerWaalsContact C-N 3.3Å; S133-N135 PolarHBondContact O-N 3.04Å; N135-N137 VanDerWaalsContact C-N 3.32Å; N135-N137 PolarHBondContact O-N 2.79Å; N135-N137 WeakPolarHBondContact OD1-CB 3.38Å; N135-N137 PolarHBondContact OD1-N 2.98Å; N135-T138 PolarHBondContact ND2-OG1 3.22Å; N135-T138 PolarHBondContact O-N 3.38Å; N135-T138 PolarHBondContact OD1-N 2.87Å; N135-T138 PolarHBondContact OD1-OG1 2.86Å; N135-A139 WeakPolarHBondContact O-CB 3.3Å; N135-A139 PolarHBondContact O-N 2.92Å
136	S	86.5	Confident	90.8	Very high	66 Å²	66	36.5 Å²	36.5	46%	0.462	19%	0.186	S	C	.	.	H	α-helix	trans	-62.9	-34.5	-175.8	-53.4	0	0	0	0	113.6	A139 R140 V356	S136-A139 PolarHBondContact O-N 3.16Å; S136-R140 WeakPolarHBondContact O-CB 3.4Å; S136-R140 PolarHBondContact O-N 2.81Å; S136-V356 WeakPolarHBondContact OG-CG1 3.24Å
137	N	88.3	Confident	90.7	Very high	90 Å²	90	36.7 Å²	36.7	48%	0.481	19%	0.187	S	C	.	.	H	α-helix	trans	-68.5	-51.3	179.4	-71.7	-33.9	0	0	0	110.4	N135 A139 R140 D141	N135-N137 VanDerWaalsContact C-N 3.32Å; N135-N137 PolarHBondContact O-N 2.79Å; N135-N137 WeakPolarHBondContact OD1-CB 3.38Å; N135-N137 PolarHBondContact OD1-N 2.98Å; N137-A139 PolarHBondContact O-N 3.12Å; N137-R140 PolarHBondContact O-N 3.01Å; N137-R140 PolarHBondContact OD1-NH2 3.49Å; N137-D141 WeakPolarHBondContact O-CB 3.49Å; N137-D141 PolarHBondContact O-N 3.5Å
138	T	89	Confident	90.5	Very high	22 Å²	22	40.3 Å²	40.3	14%	0.135	21%	0.207	C	C	.	.	H	α-helix	trans	-61.1	-35.5	176.1	-51.5	0	0	0	0	111.5	S133 N135 G142 Y474	S133-T138 VanDerWaalsContact O-CB 3.25Å; S133-T138 WeakPolarHBondContact O-CB 3.47Å; S133-T138 WeakPolarHBondContact O-CG2 3.34Å; N135-T138 PolarHBondContact ND2-OG1 3.22Å; N135-T138 PolarHBondContact O-N 3.38Å; N135-T138 PolarHBondContact OD1-N 2.87Å; N135-T138 PolarHBondContact OD1-OG1 2.86Å; T138-G142 PolarHBondContact O-N 2.82Å; T138-Y474 HydrophobicContact CG2-CD2 4.06Å
139	A	90	Very high	90.2	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-60.7	-52.7	173.7	0	0	0	0	0	111.6	N135 S136 N137 G142 R143 V356 Y474	N135-A139 WeakPolarHBondContact O-CB 3.3Å; N135-A139 PolarHBondContact O-N 2.92Å; S136-A139 PolarHBondContact O-N 3.16Å; N137-A139 PolarHBondContact O-N 3.12Å; A139-G142 PolarHBondContact O-N 2.97Å; A139-R143 VanDerWaalsContact O-CG 3.24Å; A139-R143 WeakPolarHBondContact O-CG 3.47Å; A139-R143 PolarHBondContact O-N 3.39Å; A139-V356 HydrophobicContact CB-CG2 4.15Å; A139-Y474 VanDerWaalsContact CA-CE2 3.43Å; A139-Y474 HydrophobicContact CB-CD1 4.08Å; A139-Y474 HydrophobicContact CB-CD2 3.91Å; A139-Y474 HydrophobicContact CB-CE1 3.72Å; A139-Y474 HydrophobicContact CB-CE2 3.5Å; A139-Y474 VanDerWaalsContact CB-CE2 3.5Å; A139-Y474 HydrophobicContact CB-CG 4.19Å; A139-Y474 VanDerWaalsContact CB-CZ 3.41Å
140	R	90.2	Very high	90.1	Very high	87 Å²	87	44.5 Å²	44.5	33%	0.328	23%	0.226	S	C	.	.	H	α-helix	trans	-60.4	-49	178.4	-177.5	-175.7	64.1	-142.6	-10.8	111.1	S136 N137 G142 R143 H144	S136-R140 WeakPolarHBondContact O-CB 3.4Å; S136-R140 PolarHBondContact O-N 2.81Å; N137-R140 PolarHBondContact O-N 3.01Å; N137-R140 PolarHBondContact OD1-NH2 3.49Å; R140-G142 VanDerWaalsContact C-N 3.34Å; R140-G142 PolarHBondContact O-N 3.11Å; R140-R143 PolarHBondContact O-N 3.18Å; R140-H144 WeakPolarHBondContact O-CB 3.38Å; R140-H144 PolarHBondContact O-CD2 3.08Å; R140-H144 VanDerWaalsContact O-CD2 3.25Å; R140-H144 PolarHBondContact O-N 3.41Å
141	D	89.6	Confident	90	Very high	70 Å²	70	45.6 Å²	45.6	37%	0.374	23%	0.231	S	C	.	.	H	α-helix	trans	-64.7	-39.8	-177.6	-63.4	-7.8	0	0	0	111.2	N137 H144 H145	N137-D141 WeakPolarHBondContact O-CB 3.49Å; N137-D141 PolarHBondContact O-N 3.5Å; D141-H144 PolarHBondContact O-N 2.89Å; D141-H145 VanDerWaalsContact O-CB 3.24Å; D141-H145 WeakPolarHBondContact O-CB 3.43Å; D141-H145 PolarHBondContact O-N 3.29Å
142	G	90.9	Very high	89.9	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.8	-47.7	172.3	0	0	0	0	0	112.2	T138 A139 R140 L146	T138-G142 PolarHBondContact O-N 2.82Å; A139-G142 PolarHBondContact O-N 2.97Å; R140-G142 VanDerWaalsContact C-N 3.34Å; R140-G142 PolarHBondContact O-N 3.11Å; G142-L146 VanDerWaalsContact O-CG 3.25Å; G142-L146 WeakPolarHBondContact O-CG 3.27Å; G142-L146 PolarHBondContact O-N 3.4Å; G142-L146 VanDerWaalsContact O-N 3.09Å
143	R	92.2	Very high	89.9	Confident	24 Å²	24	40.7 Å²	40.7	9%	0.091	22%	0.216	C	C	.	.	H	α-helix	trans	-63.2	-47.3	176.9	-66.5	174	-147.7	179.7	3.8	111.5	A139 R140 H145 L146 I147 L235 E238 T239 L346	A139-R143 VanDerWaalsContact O-CG 3.24Å; A139-R143 WeakPolarHBondContact O-CG 3.47Å; A139-R143 PolarHBondContact O-N 3.39Å; R140-R143 PolarHBondContact O-N 3.18Å; R143-H145 PolarHBondContact O-N 2.97Å; R143-L146 PolarHBondContact O-N 3.02Å; R143-I147 WeakPolarHBondContact O-CB 3.35Å; R143-I147 WeakPolarHBondContact O-CD1 3.3Å; R143-I147 VanDerWaalsContact O-CG1 3.24Å; R143-I147 WeakPolarHBondContact O-CG1 3.4Å; R143-I147 PolarHBondContact O-N 2.72Å; R143-L235 PolarHBondContact NH1-O 2.97Å; R143-E238 IonicContact CZ-OE2 2.99Å; R143-E238 IonicContact NH1-OE2 3.81Å; R143-E238 PolarHBondContact NH1-OE2 3.46Å; R143-E238 IonicContact NH2-OE2 3.11Å; R143-E238 PolarHBondContact NH2-OE2 3.48Å; R143-T239 HydrophobicContact CB-CG2 3.71Å; R143-T239 WeakPolarHBondContact CD-OG1 3.43Å; R143-T239 HydrophobicContact CG-CG2 4.45Å; R143-T239 PolarHBondContact NH1-OG1 3.37Å; R143-L346 HydrophobicContact CB-CD2 3.88Å; R143-L346 HydrophobicContact CG-CD2 3.84Å
144	H	92	Very high	90.2	Very high	14 Å²	14	41 Å²	41	7%	0.065	22%	0.216	C	C	.	.	H	α-helix	trans	-56.7	-49.2	177.2	-81.6	-148.3	0	0	0	111.6	R140 D141 L146 I147 D148 I157 L160 T239	R140-H144 WeakPolarHBondContact O-CB 3.38Å; R140-H144 PolarHBondContact O-CD2 3.08Å; R140-H144 VanDerWaalsContact O-CD2 3.25Å; R140-H144 PolarHBondContact O-N 3.41Å; D141-H144 PolarHBondContact O-N 2.89Å; H144-L146 VanDerWaalsContact C-N 3.3Å; H144-L146 PolarHBondContact O-N 3.11Å; H144-I147 WeakPolarHBondContact O-CB 3.36Å; H144-I147 PolarHBondContact O-N 3.09Å; H144-I147 VanDerWaalsContact O-N 3.16Å; H144-D148 PolarHBondContact O-N 3.35Å; H144-I157 VanDerWaalsContact CE1-CG2 3.46Å; H144-I157 WeakPolarHBondContact CE1-CG2 3.37Å; H144-L160 HydrophobicContact CB-CD1 4.16Å; H144-L160 WeakPolarHBondContact ND1-CD1 3.42Å; H144-L160 VanDerWaalsContact ND1-CG 3.34Å; H144-L160 WeakPolarHBondContact ND1-CG 3.29Å; H144-T239 PolarHBondContact CD2-O 2.88Å; H144-T239 VanDerWaalsContact CD2-O 3.23Å; H144-T239 PolarHBondContact NE2-O 3.27Å
145	H	90.5	Very high	90.3	Very high	78 Å²	78	44.3 Å²	44.3	36%	0.361	23%	0.233	S	C	.	.	H	α-helix	trans	-61	-39.9	179.4	-175	76.3	0	0	0	112.4	D141 R143 M149 K475	D141-H145 VanDerWaalsContact O-CB 3.24Å; D141-H145 WeakPolarHBondContact O-CB 3.43Å; D141-H145 PolarHBondContact O-N 3.29Å; R143-H145 PolarHBondContact O-N 2.97Å; H145-M149 WeakPolarHBondContact NE2-CE 3.34Å; H145-M149 WeakPolarHBondContact O-CB 3.39Å; H145-M149 PolarHBondContact O-N 2.95Å; H145-K475 PolarHBondContact CD2-NZ 3.47Å; H145-K475 VanDerWaalsContact CD2-NZ 3.28Å; H145-K475 PolarHBondContact NE2-NZ 2.97Å
146	L	92.1	Very high	90.6	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-67.7	-41	175.4	-67.6	170.7	0	0	0	111.6	G142 R143 H144 M149 Y150 F345 F478	G142-L146 VanDerWaalsContact O-CG 3.25Å; G142-L146 WeakPolarHBondContact O-CG 3.27Å; G142-L146 PolarHBondContact O-N 3.4Å; G142-L146 VanDerWaalsContact O-N 3.09Å; R143-L146 PolarHBondContact O-N 3.02Å; H144-L146 VanDerWaalsContact C-N 3.3Å; H144-L146 PolarHBondContact O-N 3.11Å; L146-M149 PolarHBondContact O-N 3.22Å; L146-Y150 HydrophobicContact CB-CD2 4.39Å; L146-Y150 HydrophobicContact CD2-CD2 4.21Å; L146-Y150 HydrophobicContact CD2-CE2 3.75Å; L146-Y150 WeakPolarHBondContact O-CB 3.36Å; L146-Y150 VanDerWaalsContact O-CD2 3.25Å; L146-Y150 WeakPolarHBondContact O-CD2 3.24Å; L146-Y150 PolarHBondContact O-N 3.35Å; L146-F345 HydrophobicContact CB-CE1 3.93Å; L146-F345 HydrophobicContact CB-CZ 4.27Å; L146-F345 HydrophobicContact CD1-CE1 4.38Å; L146-F478 HydrophobicContact CD1-CB 3.91Å; L146-F478 HydrophobicContact CD1-CD2 4.18Å; L146-F478 HydrophobicContact CD1-CG 4.04Å; L146-F478 HydrophobicContact CD2-CB 4.29Å; L146-F478 HydrophobicContact CD2-CD1 3.73Å; L146-F478 HydrophobicContact CD2-CD2 4.04Å; L146-F478 HydrophobicContact CD2-CE1 4.1Å; L146-F478 HydrophobicContact CD2-CE2 4.4Å; L146-F478 HydrophobicContact CD2-CG 3.73Å; L146-F478 HydrophobicContact CD2-CZ 4.43Å
147	I	93.3	Very high	90.7	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.015	20%	0.203	C	C	.	.	H	α-helix	trans	-60.9	-48.3	176	-71.4	163.2	0	0	0	110.8	R143 H144 M149 F151 G152 G153 W154 I157 T239 I342 L346	R143-I147 WeakPolarHBondContact O-CB 3.35Å; R143-I147 WeakPolarHBondContact O-CD1 3.3Å; R143-I147 VanDerWaalsContact O-CG1 3.24Å; R143-I147 WeakPolarHBondContact O-CG1 3.4Å; R143-I147 PolarHBondContact O-N 2.72Å; H144-I147 WeakPolarHBondContact O-CB 3.36Å; H144-I147 PolarHBondContact O-N 3.09Å; H144-I147 VanDerWaalsContact O-N 3.16Å; I147-M149 VanDerWaalsContact C-N 3.34Å; I147-M149 PolarHBondContact O-N 2.96Å; I147-F151 CarbonylContact O-C 3.53Å; I147-F151 WeakPolarHBondContact O-CA 3.3Å; I147-F151 WeakPolarHBondContact O-CB 3.5Å; I147-F151 PolarHBondContact O-N 3.08Å; I147-G152 PolarHBondContact O-N 2.86Å; I147-G153 WeakPolarHBondContact CG2-O 3.46Å; I147-G153 PolarHBondContact O-N 2.98Å; I147-W154 HydrophobicContact CD1-CE3 4.09Å; I147-W154 HydrophobicContact CG2-CB 3.75Å; I147-I157 HydrophobicContact CD1-CD1 4.09Å; I147-T239 HydrophobicContact CD1-CG2 3.68Å; I147-I342 HydrophobicContact CD1-CG2 4.16Å; I147-I342 HydrophobicContact CG1-CG2 4.06Å; I147-L346 HydrophobicContact CD1-CD1 4.23Å; I147-L346 HydrophobicContact CD1-CD2 4.24Å; I147-L346 HydrophobicContact CG1-CD2 4.43Å
148	D	91.5	Very high	90.2	Very high	87 Å²	87	38.8 Å²	38.8	47%	0.465	20%	0.202	S	C	.	.	H	α-helix	trans	-61.8	-42.6	177	-75.8	-17.6	0	0	0	111.8	H144 G152 G153	H144-D148 PolarHBondContact O-N 3.35Å; D148-G152 WeakPolarHBondContact O-CA 3.28Å; D148-G152 PolarHBondContact O-N 3.27Å; D148-G153 WeakPolarHBondContact OD1-CA 3.14Å
149	M	89.8	Confident	89.2	Confident	87 Å²	87	42.8 Å²	42.8	43%	0.429	23%	0.231	S	C	.	.	H	α-helix	trans	-66.8	-42.3	-178.9	-178	-179.3	-62.9	0	0	112.9	H145 L146 I147	H145-M149 WeakPolarHBondContact NE2-CE 3.34Å; H145-M149 WeakPolarHBondContact O-CB 3.39Å; H145-M149 PolarHBondContact O-N 2.95Å; L146-M149 PolarHBondContact O-N 3.22Å; I147-M149 VanDerWaalsContact C-N 3.34Å; I147-M149 PolarHBondContact O-N 2.96Å
150	Y	91.4	Very high	87.8	Confident	46 Å²	46	48 Å²	48	18%	0.18	26%	0.258	C	S	.	.	H	α-helix	trans	-103.6	-26.2	-169.3	-71.6	-65.9	0	0	0	114.5	L146 P185 F345 F478 R482	L146-Y150 HydrophobicContact CB-CD2 4.39Å; L146-Y150 HydrophobicContact CD2-CD2 4.21Å; L146-Y150 HydrophobicContact CD2-CE2 3.75Å; L146-Y150 WeakPolarHBondContact O-CB 3.36Å; L146-Y150 VanDerWaalsContact O-CD2 3.25Å; L146-Y150 WeakPolarHBondContact O-CD2 3.24Å; L146-Y150 PolarHBondContact O-N 3.35Å; Y150-P185 HydrophobicContact CD1-CB 4.04Å; Y150-P185 HydrophobicContact CD1-CG 4.32Å; Y150-P185 HydrophobicContact CG-CB 4.09Å; Y150-P185 HydrophobicContact CG-CG 4.46Å; Y150-P185 WeakPolarHBondContact O-CG 3.48Å; Y150-F345 HydrophobicContact CD2-CZ 4.02Å; Y150-F478 HydrophobicContact CD2-CZ 4.38Å; Y150-F478 HydrophobicContact CE1-CZ 4.43Å; Y150-F478 AromaticContact CE2-CE1 3.82Å; Y150-F478 HydrophobicContact CE2-CE1 3.82Å; Y150-F478 AromaticContact CE2-CE2 3.97Å; Y150-F478 HydrophobicContact CE2-CE2 3.97Å; Y150-F478 AromaticContact CE2-CZ 3.39Å; Y150-F478 HydrophobicContact CE2-CZ 3.39Å; Y150-F478 AromaticContact CZ-CE1 3.86Å; Y150-F478 AromaticContact CZ-CZ 3.43Å; Y150-F478 VanDerWaalsContact CZ-CZ 3.43Å; Y150-F478 WeakPolarHBondContact OH-CE1 3.39Å; Y150-F478 WeakPolarHBondContact OH-CZ 3.42Å; Y150-R482 PolarHBondContact OH-NH1 2.94Å
151	F	91.9	Very high	86.1	Confident	23 Å²	23	46.9 Å²	46.9	10%	0.101	26%	0.263	C	S	.	.	H	α-helix	trans	-120.3	-4.2	-177	-59.5	-87.2	0	0	0	113	I147 G153 L182 P185 R338 A341 I342 F345	I147-F151 CarbonylContact O-C 3.53Å; I147-F151 WeakPolarHBondContact O-CA 3.3Å; I147-F151 WeakPolarHBondContact O-CB 3.5Å; I147-F151 PolarHBondContact O-N 3.08Å; F151-G153 VanDerWaalsContact C-N 3.3Å; F151-L182 HydrophobicContact CD1-CD1 4.31Å; F151-L182 HydrophobicContact CE1-CD1 4.43Å; F151-L182 WeakPolarHBondContact CE1-O 3.35Å; F151-P185 HydrophobicContact CE1-CG 4.2Å; F151-P185 HydrophobicContact CE2-CB 4.28Å; F151-P185 HydrophobicContact CZ-CB 4Å; F151-P185 HydrophobicContact CZ-CG 4.13Å; F151-R338 PolarHBondContact O-NH2 3.23Å; F151-A341 HydrophobicContact CE1-CB 4.1Å; F151-I342 HydrophobicContact CB-CD1 4.09Å; F151-I342 HydrophobicContact CB-CG1 4.11Å; F151-I342 HydrophobicContact CD1-CD1 4.42Å; F151-I342 HydrophobicContact CD1-CG1 3.7Å; F151-I342 HydrophobicContact CD2-CG1 3.95Å; F151-I342 HydrophobicContact CE1-CG1 4.03Å; F151-I342 HydrophobicContact CE2-CG1 4.27Å; F151-I342 HydrophobicContact CG-CD1 4.19Å; F151-I342 HydrophobicContact CG-CG1 3.64Å; F151-I342 HydrophobicContact CZ-CG1 4.3Å; F151-F345 HydrophobicContact CE2-CB 3.98Å; F151-F345 AromaticContact CE2-CD1 3.87Å; F151-F345 HydrophobicContact CE2-CD1 3.87Å; F151-F345 HydrophobicContact CE2-CD2 4.08Å; F151-F345 HydrophobicContact CE2-CE1 4.38Å; F151-F345 AromaticContact CE2-CG 3.71Å; F151-F345 HydrophobicContact CE2-CG 3.71Å; F151-F345 HydrophobicContact CZ-CB 3.82Å; F151-F345 HydrophobicContact CZ-CD2 4.21Å; F151-F345 AromaticContact CZ-CG 3.95Å; F151-F345 HydrophobicContact CZ-CG 3.95Å
152	G	88.4	Confident	83.8	Confident	40 Å²	40	50 Å²	50	41%	0.412	29%	0.285	S	S	.	.	S	Bend	trans	72.3	23	-178.1	0	0	0	0	0	113.7	I147 D148	I147-G152 PolarHBondContact O-N 2.86Å; D148-G152 WeakPolarHBondContact O-CA 3.28Å; D148-G152 PolarHBondContact O-N 3.27Å
153	G	90.2	Very high	81.4	Confident	10 Å²	10	56 Å²	56	10%	0.103	32%	0.318	C	S	.	.			trans	110.8	-174.9	-178.6	0	0	0	0	0	112.4	I147 D148 F151 R338	I147-G153 WeakPolarHBondContact CG2-O 3.46Å; I147-G153 PolarHBondContact O-N 2.98Å; D148-G153 WeakPolarHBondContact OD1-CA 3.14Å; F151-G153 VanDerWaalsContact C-N 3.3Å; G153-R338 VanDerWaalsContact O-CZ 3.28Å; G153-R338 PolarHBondContact O-NH1 3.16Å; G153-R338 PolarHBondContact O-NH2 3.14Å
154	W	92.7	Very high	78.8	Confident	12 Å²	12	60.2 Å²	60.2	5%	0.045	35%	0.346	C	S	.	.			trans	-142.1	123.6	170.8	-172	10.6	0	0	0	108.5	I147 L156 I157 A236 V241 L249 T339 I342 M343 L346	I147-W154 HydrophobicContact CD1-CE3 4.09Å; I147-W154 HydrophobicContact CG2-CB 3.75Å; W154-L156 HydrophobicContact CD2-CB 4.42Å; W154-L156 HydrophobicContact CZ2-CB 4.38Å; W154-L156 HydrophobicContact CZ2-CD1 3.81Å; W154-L156 HydrophobicContact CZ2-CG 4.44Å; W154-L156 PolarHBondContact O-N 2.78Å; W154-L156 VanDerWaalsContact O-N 3.09Å; W154-I157 HydrophobicContact CB-CD1 4.2Å; W154-I157 HydrophobicContact CB-CG1 4.3Å; W154-I157 HydrophobicContact CD2-CD1 4.18Å; W154-I157 HydrophobicContact CD2-CG1 4.27Å; W154-I157 HydrophobicContact CE3-CD1 3.38Å; W154-I157 HydrophobicContact CE3-CG1 3.86Å; W154-I157 HydrophobicContact CZ3-CD1 4.03Å; W154-I157 HydrophobicContact CZ3-CG1 4.49Å; W154-I157 PolarHBondContact O-N 3.37Å; W154-A236 HydrophobicContact CH2-CB 4.21Å; W154-V241 HydrophobicContact CD2-CG2 4.46Å; W154-V241 HydrophobicContact CE3-CG2 4.02Å; W154-V241 HydrophobicContact CH2-CG2 3.44Å; W154-V241 VanDerWaalsContact CH2-CG2 3.44Å; W154-V241 HydrophobicContact CZ2-CG2 3.97Å; W154-V241 HydrophobicContact CZ3-CG2 3.49Å; W154-V241 VanDerWaalsContact CZ3-CG2 3.49Å; W154-L249 HydrophobicContact CH2-CD2 4.08Å; W154-L249 HydrophobicContact CZ2-CD2 3.87Å; W154-T339 HydrophobicContact CZ2-CG2 3.85Å; W154-T339 PolarHBondContact NE1-OG1 2.86Å; W154-I342 HydrophobicContact CB-CD1 3.9Å; W154-I342 HydrophobicContact CD2-CD1 4.12Å; W154-I342 HydrophobicContact CD2-CG2 3.91Å; W154-I342 HydrophobicContact CE3-CG2 3.65Å; W154-I342 HydrophobicContact CG-CD1 3.65Å; W154-I342 HydrophobicContact CG-CG2 4.49Å; W154-I342 HydrophobicContact CH2-CG2 4.49Å; W154-I342 HydrophobicContact CZ3-CG2 3.97Å; W154-M343 HydrophobicContact CH2-CG 4Å; W154-M343 HydrophobicContact CH2-SD 3.42Å; W154-M343 WeakPolarHBondContact CH2-SD 3.2Å; W154-M343 HydrophobicContact CZ2-CG 4.26Å; W154-M343 HydrophobicContact CZ2-SD 4.25Å; W154-M343 HydrophobicContact CZ3-SD 4.07Å; W154-L346 HydrophobicContact CZ3-CD1 4.16Å
155	E	89.8	Confident	76.2	Confident	109 Å²	109	65.4 Å²	65.4	51%	0.509	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.8	-173.7	72.1	-158.5	144	0	0	113.7	I157 S335	E155-I157 VanDerWaalsContact C-N 3.27Å; E155-I157 PolarHBondContact O-N 2.89Å; E155-S335 VanDerWaalsContact OE1-CB 3.23Å; E155-S335 WeakPolarHBondContact OE1-CB 3.48Å; E155-S335 PolarHBondContact OE1-OG 2.74Å
156	L	91.9	Very high	73.8	Confident	7 Å²	7	67.9 Å²	67.9	4%	0.037	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-7.4	178.7	-54.8	-172.7	0	0	0	113.2	W154 V241 N245 Q248 L249 T339	W154-L156 HydrophobicContact CD2-CB 4.42Å; W154-L156 HydrophobicContact CZ2-CB 4.38Å; W154-L156 HydrophobicContact CZ2-CD1 3.81Å; W154-L156 HydrophobicContact CZ2-CG 4.44Å; W154-L156 PolarHBondContact O-N 2.78Å; W154-L156 VanDerWaalsContact O-N 3.09Å; L156-V241 HydrophobicContact CB-CG1 3.91Å; L156-V241 HydrophobicContact CB-CG2 4.1Å; L156-N245 HydrophobicContact CB-CB 4.41Å; L156-N245 HydrophobicContact CD2-CB 4.1Å; L156-N245 PolarHBondContact O-ND2 3.21Å; L156-N245 VanDerWaalsContact O-ND2 3.12Å; L156-Q248 HydrophobicContact CD1-CB 4.15Å; L156-Q248 HydrophobicContact CD2-CB 4.06Å; L156-Q248 HydrophobicContact CD2-CG 4.24Å; L156-L249 HydrophobicContact CD1-CD2 3.93Å; L156-L249 HydrophobicContact CD1-CG 4.31Å; L156-T339 HydrophobicContact CD1-CG2 4.4Å
157	I	88.8	Confident	71.3	Confident	21 Å²	21	72 Å²	72	11%	0.108	42%	0.415	C	S	.	.	S	Bend	trans	-111.2	129.8	179.2	-60.1	178.9	0	0	0	109.1	H144 I147 W154 E155 S159 T239 V241	H144-I157 VanDerWaalsContact CE1-CG2 3.46Å; H144-I157 WeakPolarHBondContact CE1-CG2 3.37Å; I147-I157 HydrophobicContact CD1-CD1 4.09Å; W154-I157 HydrophobicContact CB-CD1 4.2Å; W154-I157 HydrophobicContact CB-CG1 4.3Å; W154-I157 HydrophobicContact CD2-CD1 4.18Å; W154-I157 HydrophobicContact CD2-CG1 4.27Å; W154-I157 HydrophobicContact CE3-CD1 3.38Å; W154-I157 HydrophobicContact CE3-CG1 3.86Å; W154-I157 HydrophobicContact CZ3-CD1 4.03Å; W154-I157 HydrophobicContact CZ3-CG1 4.49Å; W154-I157 PolarHBondContact O-N 3.37Å; E155-I157 VanDerWaalsContact C-N 3.27Å; E155-I157 PolarHBondContact O-N 2.89Å; I157-S159 PolarHBondContact O-N 3.46Å; I157-T239 HydrophobicContact CD1-CG2 3.93Å; I157-T239 WeakPolarHBondContact CD1-O 3.41Å; I157-V241 HydrophobicContact CD1-CG2 4.36Å; I157-V241 HydrophobicContact CG1-CG2 3.78Å
158	P	78.7	Confident	68.8	Low	71 Å²	71	76 Å²	76	46%	0.461	44%	0.436	S	S	.	.			trans	-59.1	133.7	171.2	-21.3	32.8	0	0	0	111.3	L160 L242	P158-L160 PolarHBondContact O-N 3.15Å; P158-L242 HydrophobicContact CG-CD1 4.03Å; P158-L242 HydrophobicContact CG-CD2 4.04Å; P158-L242 HydrophobicContact CG-CG 3.98Å
159	S	68	Low	66.2	Low	105 Å²	105	79.4 Å²	79.4	73%	0.734	45%	0.447	S	S	*	.			trans	-60.3	123.1	178.3	60.9	0	0	0	0	111	I157 S161	I157-S159 PolarHBondContact O-N 3.46Å; S159-S161 PolarHBondContact O-N 3.37Å
160	L	59.9	Low	63.6	Low	110 Å²	110	82.6 Å²	82.6	58%	0.576	46%	0.461	S	S	*	.	S	Bend	trans	-68.5	-20.8	175.9	-72	-178.2	0	0	0	113.6	H144 P158 T162	H144-L160 HydrophobicContact CB-CD1 4.16Å; H144-L160 WeakPolarHBondContact ND1-CD1 3.42Å; H144-L160 VanDerWaalsContact ND1-CG 3.34Å; H144-L160 WeakPolarHBondContact ND1-CG 3.29Å; P158-L160 PolarHBondContact O-N 3.15Å; L160-T162 PolarHBondContact O-N 3.13Å
161	S	53.3	Low	61.2	Low	64 Å²	64	86.1 Å²	86.1	45%	0.448	48%	0.477	S	S	.	.			trans	-83.6	112.7	-177.6	-178	0	0	0	0	111.8	S159 N163	S159-S161 PolarHBondContact O-N 3.37Å; S161-N163 PolarHBondContact OG-N 2.88Å; S161-N163 PolarHBondContact OG-O 3.3Å
162	T	42.2	Very low	58.9	Low	136 Å²	136	92.4 Å²	92.4	83%	0.834	51%	0.507	S	S	*	.			trans	-72.3	-15.6	162.4	46	0	0	0	0	112.7	L160 V164	L160-T162 PolarHBondContact O-N 3.13Å; T162-V164 PolarHBondContact O-N 3.07Å; T162-V164 VanDerWaalsContact O-N 3.12Å
163	N	41.1	Very low	56.5	Low	127 Å²	127	96.3 Å²	96.3	68%	0.679	52%	0.518	S	S	*	.			trans	-84.3	83.7	174.4	-79.8	-28.6	0	0	0	110.2	S161 N165	S161-N163 PolarHBondContact OG-N 2.88Å; S161-N163 PolarHBondContact OG-O 3.3Å; N163-N165 PolarHBondContact O-N 3.42Å
164	V	37.3	Very low	54.3	Low	112 Å²	112	101.1 Å²	101.1	68%	0.679	54%	0.541	S	S	*	.			trans	-73.5	75.7	165.6	-174.1	0	0	0	0	108.3	T162	T162-V164 PolarHBondContact O-N 3.07Å; T162-V164 VanDerWaalsContact O-N 3.12Å
165	N	38.2	Very low	52.2	Low	123 Å²	123	103 Å²	103	66%	0.658	55%	0.552	S	S	*	*			trans	-74.5	124.9	153.2	-83.9	-13.7	0	0	0	106.9	N163 T167	N163-N165 PolarHBondContact O-N 3.42Å; N165-T167 PolarHBondContact O-N 3.48Å; N165-T167 PolarHBondContact O-OG1 2.67Å
166	N	38.4	Very low	50.4	Low	130 Å²	130	102.4 Å²	102.4	70%	0.695	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	9.9	-177.1	-94	-33.5	0	0	0	115.7	N168	N166-N168 VanDerWaalsContact C-N 3.26Å; N166-N168 PolarHBondContact O-N 2.95Å
167	T	39.7	Very low	48.9	Very low	89 Å²	89	105.4 Å²	105.4	55%	0.546	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.6	-11.2	174.1	41.6	0	0	0	0	113.7	N165 Q170	N165-T167 PolarHBondContact O-N 3.48Å; N165-T167 PolarHBondContact O-OG1 2.67Å; T167-Q170 PolarHBondContact O-N 3.27Å
168	N	42.5	Very low	48.7	Very low	86 Å²	86	105.6 Å²	105.6	46%	0.46	58%	0.583	S	S	.	*	H	α-helix	trans	-74.3	-21.5	176.7	-77.5	-12.7	0	0	0	114.6	N166 Q170 K171 Q172	N166-N168 VanDerWaalsContact C-N 3.26Å; N166-N168 PolarHBondContact O-N 2.95Å; N168-Q170 PolarHBondContact O-N 3.01Å; N168-K171 PolarHBondContact O-N 3.25Å; N168-Q172 PolarHBondContact O-N 3.16Å; N168-Q172 VanDerWaalsContact O-N 3.16Å
169	K	36.3	Very low	49.4	Very low	159 Å²	159	102.3 Å²	102.3	69%	0.691	56%	0.561	S	S	*	*	H	α-helix	trans	-64.5	-24.8	171.1	-82.3	-174.9	176.2	179.7	0	112.6
170	Q	35.1	Very low	50.6	Low	154 Å²	154	97.5 Å²	97.5	72%	0.72	53%	0.527	S	S	*	.	H	α-helix	trans	-83.2	-21.8	171.5	-84	-176.3	-27.2	0	0	113.5	T167 N168	T167-Q170 PolarHBondContact O-N 3.27Å; N168-Q170 PolarHBondContact O-N 3.01Å
171	K	41	Very low	52.1	Low	121 Å²	121	94.1 Å²	94.1	53%	0.526	51%	0.51	S	S	.	.	H	α-helix	trans	-81.7	-29.6	177.1	-78.9	-176	176.9	178.4	0	113.7	N168 N173 N174	N168-K171 PolarHBondContact O-N 3.25Å; K171-N173 PolarHBondContact O-N 3.05Å; K171-N174 PolarHBondContact O-N 3.4Å
172	Q	43.4	Very low	54	Low	155 Å²	155	91.6 Å²	91.6	72%	0.724	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-64	-21	170.5	-79.6	178.8	-24.6	0	0	112.6	N168 N174	N168-Q172 PolarHBondContact O-N 3.16Å; N168-Q172 VanDerWaalsContact O-N 3.16Å; Q172-N174 VanDerWaalsContact C-N 3.27Å; Q172-N174 PolarHBondContact O-N 2.72Å
173	N	38.9	Very low	56.6	Low	121 Å²	121	85.1 Å²	85.1	65%	0.647	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-77.6	0.5	175.4	-79.2	-5.7	0	0	0	114.9	K171 M175 S176	K171-N173 PolarHBondContact O-N 3.05Å; N173-M175 PolarHBondContact O-N 3.1Å; N173-M175 VanDerWaalsContact O-N 3.16Å; N173-S176 PolarHBondContact O-N 2.67Å
174	N	43	Very low	59.1	Low	111 Å²	111	79.9 Å²	79.9	59%	0.594	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-70.8	-3	176.3	-88.2	-6.4	0	0	0	114.3	K171 Q172 S176 N181	K171-N174 PolarHBondContact O-N 3.4Å; Q172-N174 VanDerWaalsContact C-N 3.27Å; Q172-N174 PolarHBondContact O-N 2.72Å; N174-S176 PolarHBondContact O-N 2.97Å; N174-N181 PolarHBondContact O-ND2 2.84Å
175	M	49.4	Very low	61.8	Low	53 Å²	53	75 Å²	75	26%	0.261	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-77.5	7	169.2	-149.5	119.1	178.3	0	0	113.1	N173 N177 G178 L182 E334	N173-M175 PolarHBondContact O-N 3.1Å; N173-M175 VanDerWaalsContact O-N 3.16Å; M175-N177 PolarHBondContact O-N 3.25Å; M175-G178 PolarHBondContact O-N 3.38Å; M175-L182 HydrophobicContact CE-CD2 4.49Å; M175-E334 HydrophobicContact CE-CG 3.43Å; M175-E334 VanDerWaalsContact CE-CG 3.43Å; M175-E334 WeakPolarHBondContact CE-OE1 3.38Å; M175-E334 WeakPolarHBondContact CG-OE1 3.32Å; M175-E334 HydrophobicContact SD-CG 4.18Å
176	S	51.4	Low	64.5	Low	96 Å²	96	69.2 Å²	69.2	67%	0.671	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-51.4	-22.2	179.1	76.6	0	0	0	0	114.8	N173 N174	N173-S176 PolarHBondContact O-N 2.67Å; N174-S176 PolarHBondContact O-N 2.97Å
177	N	61.2	Low	67.2	Low	69 Å²	69	63 Å²	63	37%	0.369	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-114.3	19.8	178.8	-59.3	2	0	0	0	114.3	M175 T180	M175-N177 PolarHBondContact O-N 3.25Å; N177-T180 WeakPolarHBondContact O-CB 3.47Å; N177-T180 PolarHBondContact O-N 3.05Å
178	G	84	Confident	69.8	Low	26 Å²	26	62 Å²	62	27%	0.268	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	-135.6	170.3	0	0	0	0	0	115.4	M175 T180 N181 L182	M175-G178 PolarHBondContact O-N 3.38Å; G178-T180 PolarHBondContact O-N 3.4Å; G178-T180 VanDerWaalsContact O-N 3.12Å; G178-N181 PolarHBondContact O-N 3.47Å; G178-L182 PolarHBondContact O-N 2.89Å
179	L	92.6	Very high	72.2	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-57.2	-27.4	-177.5	-60.9	-174.4	0	0	0	113.6	L182 F183 L195 E285 I286 Y324 L328 L337	L179-L182 HydrophobicContact CD2-CD2 4.45Å; L179-L182 PolarHBondContact O-N 3Å; L179-F183 HydrophobicContact CB-CD2 4.27Å; L179-F183 HydrophobicContact CB-CE2 4.17Å; L179-F183 HydrophobicContact CD2-CE2 4.15Å; L179-F183 VanDerWaalsContact O-CD2 3.26Å; L179-F183 WeakPolarHBondContact O-CD2 3.4Å; L179-F183 PolarHBondContact O-N 3.42Å; L179-F183 VanDerWaalsContact O-N 3.09Å; L179-L195 HydrophobicContact CD1-CD2 4.13Å; L179-E285 HydrophobicContact CD1-CB 3.74Å; L179-E285 HydrophobicContact CD1-CG 4.07Å; L179-E285 HydrophobicContact CG-CB 4.41Å; L179-I286 HydrophobicContact CB-CD1 3.71Å; L179-Y324 HydrophobicContact CD1-CD1 4.1Å; L179-Y324 HydrophobicContact CD1-CG 4.36Å; L179-Y324 HydrophobicContact CD2-CD1 4.28Å; L179-L328 HydrophobicContact CD1-CD1 4.19Å; L179-L328 HydrophobicContact CD2-CD1 3.8Å; L179-L328 HydrophobicContact CD2-CD2 4.21Å; L179-L328 HydrophobicContact CD2-CG 4.18Å; L179-L328 HydrophobicContact CG-CD1 3.8Å; L179-L337 HydrophobicContact CD2-CD1 3.85Å
180	T	93.9	Very high	74.9	Confident	4 Å²	4	51.2 Å²	51.2	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-60.7	-55.5	-179.8	-62.3	0	0	0	0	111.2	N177 G178 L182 F183 L184 I286 D287 V291	N177-T180 WeakPolarHBondContact O-CB 3.47Å; N177-T180 PolarHBondContact O-N 3.05Å; G178-T180 PolarHBondContact O-N 3.4Å; G178-T180 VanDerWaalsContact O-N 3.12Å; T180-L182 PolarHBondContact O-N 3.5Å; T180-F183 PolarHBondContact O-N 2.91Å; T180-L184 WeakPolarHBondContact O-CB 3.41Å; T180-L184 PolarHBondContact O-N 3.14Å; T180-L184 VanDerWaalsContact O-N 3.1Å; T180-I286 WeakPolarHBondContact OG1-CA 3.38Å; T180-D287 HydrophobicContact CG2-CB 4.21Å; T180-D287 PolarHBondContact OG1-N 2.97Å; T180-V291 HydrophobicContact CG2-CG2 3.66Å
181	N	91.7	Very high	77.7	Confident	40 Å²	40	43.9 Å²	43.9	21%	0.214	23%	0.233	C	C	.	.	H	α-helix	trans	-68	-30.8	-179.6	-76.5	-5.3	0	0	0	111.5	N174 G178 P185	N174-N181 PolarHBondContact O-ND2 2.84Å; G178-N181 PolarHBondContact O-N 3.47Å; N181-P185 WeakPolarHBondContact O-CD 3.46Å
182	L	93.9	Very high	80.3	Confident	10 Å²	10	45.3 Å²	45.3	5%	0.052	24%	0.235	C	C	.	.	H	α-helix	trans	-64.2	-43.7	179.4	-177	61.9	0	0	0	112.9	F151 M175 G178 L179 T180 L337 R338 A341	F151-L182 HydrophobicContact CD1-CD1 4.31Å; F151-L182 HydrophobicContact CE1-CD1 4.43Å; F151-L182 WeakPolarHBondContact CE1-O 3.35Å; M175-L182 HydrophobicContact CE-CD2 4.49Å; G178-L182 PolarHBondContact O-N 2.89Å; L179-L182 HydrophobicContact CD2-CD2 4.45Å; L179-L182 PolarHBondContact O-N 3Å; T180-L182 PolarHBondContact O-N 3.5Å; L182-L337 HydrophobicContact CD2-CB 3.98Å; L182-R338 HydrophobicContact CD1-CB 4.33Å; L182-R338 HydrophobicContact CD1-CG 4.2Å; L182-A341 HydrophobicContact CD1-CB 3.63Å; L182-A341 HydrophobicContact CD2-CB 4.21Å; L182-A341 HydrophobicContact CG-CB 3.68Å
183	F	94.7	Very high	82.7	Confident	1 Å²	1	38 Å²	38	0%	0.004	20%	0.201	C	C	.	.	H	α-helix	trans	-92.2	-11.6	-178.6	-64.7	-53.1	0	0	0	114.4	L179 T180 P185 L186 L187 P194 L195 Y324 A341	L179-F183 HydrophobicContact CB-CD2 4.27Å; L179-F183 HydrophobicContact CB-CE2 4.17Å; L179-F183 HydrophobicContact CD2-CE2 4.15Å; L179-F183 VanDerWaalsContact O-CD2 3.26Å; L179-F183 WeakPolarHBondContact O-CD2 3.4Å; L179-F183 PolarHBondContact O-N 3.42Å; L179-F183 VanDerWaalsContact O-N 3.09Å; T180-F183 PolarHBondContact O-N 2.91Å; F183-P185 VanDerWaalsContact C-CD 3.5Å; F183-L186 HydrophobicContact CD1-CD1 4.09Å; F183-L186 WeakPolarHBondContact O-CB 3.39Å; F183-L186 PolarHBondContact O-N 3.42Å; F183-L187 HydrophobicContact CB-CD1 4.26Å; F183-L187 WeakPolarHBondContact O-CG 3.37Å; F183-L187 PolarHBondContact O-N 2.89Å; F183-L187 VanDerWaalsContact O-N 3.08Å; F183-P194 HydrophobicContact CE1-CB 4.38Å; F183-P194 HydrophobicContact CE1-CG 4.18Å; F183-L195 HydrophobicContact CD2-CB 4.08Å; F183-L195 HydrophobicContact CD2-CD2 4.25Å; F183-L195 HydrophobicContact CE2-CB 3.94Å; F183-L195 HydrophobicContact CE2-CD2 4.17Å; F183-Y324 HydrophobicContact CE2-CD1 4.12Å; F183-Y324 AromaticContact CE2-CE1 3.84Å; F183-Y324 HydrophobicContact CE2-CE1 3.84Å; F183-Y324 HydrophobicContact CZ-CD1 4.22Å; F183-Y324 AromaticContact CZ-CE1 3.57Å; F183-Y324 HydrophobicContact CZ-CE1 3.57Å; F183-A341 HydrophobicContact CD1-CB 4.18Å; F183-A341 HydrophobicContact CE1-CB 3.82Å
184	L	94.7	Very high	85.2	Confident	17 Å²	17	32.2 Å²	32.2	9%	0.089	17%	0.17	C	C	.	.	H	α-helix	trans	-57.3	-40.1	-177.8	-173.7	62.4	0	0	0	114.2	T180 L186 L187 R188 K294 V295	T180-L184 WeakPolarHBondContact O-CB 3.41Å; T180-L184 PolarHBondContact O-N 3.14Å; T180-L184 VanDerWaalsContact O-N 3.1Å; L184-L186 PolarHBondContact O-N 3.19Å; L184-L187 PolarHBondContact O-N 2.81Å; L184-R188 HydrophobicContact CD1-CG 3.81Å; L184-R188 HydrophobicContact CG-CG 4.1Å; L184-R188 WeakPolarHBondContact O-CB 3.4Å; L184-R188 VanDerWaalsContact O-CG 3.27Å; L184-R188 WeakPolarHBondContact O-CG 3.3Å; L184-R188 PolarHBondContact O-N 3.46Å; L184-K294 HydrophobicContact CD1-CB 3.73Å; L184-K294 HydrophobicContact CD2-CB 3.99Å; L184-K294 HydrophobicContact CD2-CG 4Å; L184-K294 HydrophobicContact CG-CB 4.41Å; L184-V295 HydrophobicContact CD1-CG2 4.39Å
185	P	93.9	Very high	87.7	Confident	10 Å²	10	27 Å²	27	7%	0.065	14%	0.142	C	C	.	.	H	α-helix	trans	-58.1	-44	176.2	-27.3	36.3	0	0	0	113.8	Y150 F151 N181 F183 Q189 F345	Y150-P185 HydrophobicContact CD1-CB 4.04Å; Y150-P185 HydrophobicContact CD1-CG 4.32Å; Y150-P185 HydrophobicContact CG-CB 4.09Å; Y150-P185 HydrophobicContact CG-CG 4.46Å; Y150-P185 WeakPolarHBondContact O-CG 3.48Å; F151-P185 HydrophobicContact CE1-CG 4.2Å; F151-P185 HydrophobicContact CE2-CB 4.28Å; F151-P185 HydrophobicContact CZ-CB 4Å; F151-P185 HydrophobicContact CZ-CG 4.13Å; N181-P185 WeakPolarHBondContact O-CD 3.46Å; F183-P185 VanDerWaalsContact C-CD 3.5Å; P185-Q189 WeakPolarHBondContact O-CB 3.49Å; P185-Q189 PolarHBondContact O-N 3.39Å; P185-F345 HydrophobicContact CB-CD2 4.43Å; P185-F345 HydrophobicContact CB-CE2 4.41Å
186	L	94.3	Very high	89.9	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.8	-48.2	177.3	-85	161.7	0	0	0	111.7	F183 L184 R188 Q189 T190 R192 A341 D344 F345 E348	F183-L186 HydrophobicContact CD1-CD1 4.09Å; F183-L186 WeakPolarHBondContact O-CB 3.39Å; F183-L186 PolarHBondContact O-N 3.42Å; L184-L186 PolarHBondContact O-N 3.19Å; L186-R188 PolarHBondContact O-N 2.72Å; L186-Q189 PolarHBondContact O-N 3.46Å; L186-T190 PolarHBondContact O-N 2.87Å; L186-T190 PolarHBondContact O-OG1 2.91Å; L186-R192 CarbonylContact C-O 3.59Å; L186-R192 WeakPolarHBondContact CB-O 3.25Å; L186-A341 HydrophobicContact CD1-CB 4.41Å; L186-D344 HydrophobicContact CD1-CB 4.34Å; L186-D344 HydrophobicContact CD2-CB 4.45Å; L186-D344 WeakPolarHBondContact CD2-OD2 3.48Å; L186-F345 VanDerWaalsContact CD2-CA 3.49Å; L186-F345 HydrophobicContact CD2-CB 3.89Å; L186-F345 HydrophobicContact CD2-CD2 4.35Å; L186-F345 HydrophobicContact CG-CB 4.05Å; L186-F345 HydrophobicContact CG-CD2 4.35Å; L186-E348 HydrophobicContact CD2-CG 4.45Å
187	L	95.6	Very high	92	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.6	-39.5	179.6	-66.9	167.5	0	0	0	112.5	F183 L184 Q189 G191 F196 I198 V291 V295 Y485	F183-L187 HydrophobicContact CB-CD1 4.26Å; F183-L187 WeakPolarHBondContact O-CG 3.37Å; F183-L187 PolarHBondContact O-N 2.89Å; F183-L187 VanDerWaalsContact O-N 3.08Å; L184-L187 PolarHBondContact O-N 2.81Å; L187-Q189 PolarHBondContact O-N 3.09Å; L187-G191 VanDerWaalsContact O-CA 3.24Å; L187-G191 WeakPolarHBondContact O-CA 3.3Å; L187-G191 PolarHBondContact O-N 2.79Å; L187-F196 HydrophobicContact CD1-CE1 4.24Å; L187-F196 HydrophobicContact CD1-CE2 3.56Å; L187-F196 HydrophobicContact CD1-CZ 3.36Å; L187-F196 HydrophobicContact CD2-CD2 4.16Å; L187-F196 HydrophobicContact CD2-CE2 3.81Å; L187-F196 HydrophobicContact CD2-CZ 4.36Å; L187-F196 HydrophobicContact CG-CE2 4.36Å; L187-F196 HydrophobicContact CG-CZ 4.48Å; L187-I198 HydrophobicContact CD2-CD1 4.49Å; L187-I198 HydrophobicContact CD2-CG1 4.35Å; L187-V291 HydrophobicContact CD1-CG1 3.82Å; L187-V295 HydrophobicContact CB-CG2 4Å; L187-Y485 WeakPolarHBondContact O-CE1 3.28Å; L187-Y485 PolarHBondContact O-OH 3Å
188	R	94.2	Very high	93.6	Very high	67 Å²	67	18 Å²	18	25%	0.253	9%	0.089	S	C	.	.	H	α-helix	trans	-72	-16.6	177.4	-72.7	179.1	69	-168.8	6.8	113.7	L184 L186 V295 Q298	L184-R188 HydrophobicContact CD1-CG 3.81Å; L184-R188 HydrophobicContact CG-CG 4.1Å; L184-R188 WeakPolarHBondContact O-CB 3.4Å; L184-R188 VanDerWaalsContact O-CG 3.27Å; L184-R188 WeakPolarHBondContact O-CG 3.3Å; L184-R188 PolarHBondContact O-N 3.46Å; L186-R188 PolarHBondContact O-N 2.72Å; R188-V295 HydrophobicContact CG-CG2 4.26Å; R188-Q298 PolarHBondContact O-NE2 2.9Å; R188-Q298 PolarHBondContact O-OE1 2.81Å
189	Q	92.3	Very high	94.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-96	-40.5	178.2	-170.9	-169.4	9.1	0	0	112.6	P185 L186 L187 F478 R482 Y485	P185-Q189 WeakPolarHBondContact O-CB 3.49Å; P185-Q189 PolarHBondContact O-N 3.39Å; L186-Q189 PolarHBondContact O-N 3.46Å; L187-Q189 PolarHBondContact O-N 3.09Å; Q189-F478 HydrophobicContact CB-CE2 4.48Å; Q189-F478 HydrophobicContact CG-CD2 4.46Å; Q189-F478 HydrophobicContact CG-CE2 4.04Å; Q189-R482 HydrophobicContact CG-CB 4.19Å; Q189-Y485 WeakPolarHBondContact O-CB 3.07Å; Q189-Y485 WeakPolarHBondContact O-CD1 3.44Å
190	T	93.2	Very high	94.1	Very high	19 Å²	19	19.7 Å²	19.7	12%	0.117	9%	0.092	C	C	.	.	H	α-helix	trans	-132	-10.2	-167.8	66.1	0	0	0	0	114.3	L186 R192 R481 Y485	L186-T190 PolarHBondContact O-N 2.87Å; L186-T190 PolarHBondContact O-OG1 2.91Å; T190-R192 PolarHBondContact O-N 3.3Å; T190-R192 PolarHBondContact OG1-N 3.42Å; T190-R192 PolarHBondContact OG1-O 3.3Å; T190-R481 VanDerWaalsContact CG2-NH2 3.3Å; T190-Y485 VanDerWaalsContact C-CE2 3.47Å
191	G	95	Very high	93.9	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.01	9%	0.093	C	C	.	.	S	Bend	trans	68.5	10.6	-167.4	0	0	0	0	0	113.5	L187 S197 I198 Y485	L187-G191 VanDerWaalsContact O-CA 3.24Å; L187-G191 WeakPolarHBondContact O-CA 3.3Å; L187-G191 PolarHBondContact O-N 2.79Å; G191-S197 CarbonylContact O-C 3.39Å; G191-S197 WeakPolarHBondContact O-CA 3.33Å; G191-S197 VanDerWaalsContact O-CB 3.24Å; G191-S197 WeakPolarHBondContact O-CB 3.35Å; G191-I198 PolarHBondContact O-N 3.41Å; G191-Y485 WeakPolarHBondContact CA-OH 3.41Å; G191-Y485 VanDerWaalsContact N-CE2 3.33Å
192	R	94.5	Very high	93.6	Very high	150 Å²	150	21.8 Å²	21.8	57%	0.566	10%	0.101	S	C	*	.	B	Isolated β-bridge	trans	-127.2	143.8	-176.9	-59.4	176.6	-174.7	167.4	0.6	110.2	L186 T190	L186-R192 CarbonylContact C-O 3.59Å; L186-R192 WeakPolarHBondContact CB-O 3.25Å; T190-R192 PolarHBondContact O-N 3.3Å; T190-R192 PolarHBondContact OG1-N 3.42Å; T190-R192 PolarHBondContact OG1-O 3.3Å
193	S	94.4	Very high	93.1	Very high	2 Å²	2	26 Å²	26	1%	0.014	12%	0.124	C	C	.	.			trans	-142.2	166.3	168.9	73.3	0	0	0	0	109.2	L195 F196 G212	S193-L195 PolarHBondContact O-N 2.96Å; S193-L195 PolarHBondContact OG-N 3.46Å; S193-F196 WeakPolarHBondContact CB-O 3.5Å; S193-F196 PolarHBondContact N-O 3.41Å; S193-F196 PolarHBondContact OG-N 3.27Å; S193-F196 VanDerWaalsContact OG-N 3.11Å; S193-F196 PolarHBondContact OG-O 3.31Å; S193-G212 WeakPolarHBondContact O-CA 3.36Å
194	P	92.4	Very high	92.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-54.7	-34.5	172.6	-31.1	39.1	0	0	0	113.9	F183 F214 Y324 I340 D344	F183-P194 HydrophobicContact CE1-CB 4.38Å; F183-P194 HydrophobicContact CE1-CG 4.18Å; P194-F214 HydrophobicContact CB-CD1 4.16Å; P194-F214 HydrophobicContact CB-CE1 3.58Å; P194-F214 HydrophobicContact CB-CZ 3.97Å; P194-F214 WeakPolarHBondContact O-CE2 3.41Å; P194-F214 WeakPolarHBondContact O-CZ 3.3Å; P194-Y324 VanDerWaalsContact CB-OH 3.32Å; P194-Y324 WeakPolarHBondContact CB-OH 3.23Å; P194-I340 HydrophobicContact CB-CG2 4.26Å; P194-I340 HydrophobicContact CG-CG2 4.09Å; P194-D344 WeakPolarHBondContact CD-OD2 3.33Å; P194-D344 HydrophobicContact CG-CB 3.82Å
195	L	94	Very high	92.5	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-80.6	-52.4	-178.2	-176.3	59.4	0	0	0	112.5	L179 F183 S193 G212 I286 R320 Y324	L179-L195 HydrophobicContact CD1-CD2 4.13Å; F183-L195 HydrophobicContact CD2-CB 4.08Å; F183-L195 HydrophobicContact CD2-CD2 4.25Å; F183-L195 HydrophobicContact CE2-CB 3.94Å; F183-L195 HydrophobicContact CE2-CD2 4.17Å; S193-L195 PolarHBondContact O-N 2.96Å; S193-L195 PolarHBondContact OG-N 3.46Å; L195-G212 PolarHBondContact O-N 3.21Å; L195-I286 HydrophobicContact CD2-CD1 3.78Å; L195-I286 HydrophobicContact CD2-CG1 3.97Å; L195-R320 HydrophobicContact CD1-CB 4.34Å; L195-R320 HydrophobicContact CD1-CG 3.78Å; L195-Y324 HydrophobicContact CB-CE1 4.22Å; L195-Y324 HydrophobicContact CD1-CD1 4.22Å; L195-Y324 HydrophobicContact CD1-CD2 3.65Å; L195-Y324 HydrophobicContact CD1-CE1 4.36Å; L195-Y324 HydrophobicContact CD1-CE2 3.78Å; L195-Y324 HydrophobicContact CD1-CG 3.85Å
196	F	95.2	Very high	92.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	163.1	-177.1	66.9	-87.1	0	0	0	112.6	L187 S193 I198 I209 S210 G212 I286 W288 V291 L317	L187-F196 HydrophobicContact CD1-CE1 4.24Å; L187-F196 HydrophobicContact CD1-CE2 3.56Å; L187-F196 HydrophobicContact CD1-CZ 3.36Å; L187-F196 HydrophobicContact CD2-CD2 4.16Å; L187-F196 HydrophobicContact CD2-CE2 3.81Å; L187-F196 HydrophobicContact CD2-CZ 4.36Å; L187-F196 HydrophobicContact CG-CE2 4.36Å; L187-F196 HydrophobicContact CG-CZ 4.48Å; S193-F196 WeakPolarHBondContact CB-O 3.5Å; S193-F196 PolarHBondContact N-O 3.41Å; S193-F196 PolarHBondContact OG-N 3.27Å; S193-F196 VanDerWaalsContact OG-N 3.11Å; S193-F196 PolarHBondContact OG-O 3.31Å; F196-I198 HydrophobicContact CD2-CG1 4.03Å; F196-I198 HydrophobicContact CE2-CD1 3.82Å; F196-I198 HydrophobicContact CE2-CG1 3.81Å; F196-I209 HydrophobicContact CB-CG2 4.4Å; F196-I209 HydrophobicContact CD2-CG2 4.39Å; F196-S210 CarbonylContact C-O 3.32Å; F196-S210 VanDerWaalsContact CA-O 3.28Å; F196-S210 WeakPolarHBondContact CA-O 3.32Å; F196-S210 WeakPolarHBondContact CB-O 3.39Å; F196-G212 VanDerWaalsContact CA-N 3.33Å; F196-I286 HydrophobicContact CE1-CD1 3.86Å; F196-I286 HydrophobicContact CE1-CG1 3.86Å; F196-I286 HydrophobicContact CE1-CG2 4.07Å; F196-I286 HydrophobicContact CZ-CG2 4.01Å; F196-W288 HydrophobicContact CD1-CH2 4.09Å; F196-W288 AromaticContact CD2-CH2 3.87Å; F196-W288 HydrophobicContact CD2-CH2 3.87Å; F196-W288 AromaticContact CD2-CZ3 3.81Å; F196-W288 HydrophobicContact CD2-CZ3 3.81Å; F196-W288 HydrophobicContact CE1-CH2 4.2Å; F196-W288 HydrophobicContact CE1-CZ3 4.4Å; F196-W288 AromaticContact CE2-CH2 3.97Å; F196-W288 HydrophobicContact CE2-CH2 3.97Å; F196-W288 AromaticContact CE2-CZ3 3.56Å; F196-W288 HydrophobicContact CE2-CZ3 3.56Å; F196-W288 AromaticContact CG-CH2 3.93Å; F196-W288 HydrophobicContact CG-CH2 3.93Å; F196-W288 HydrophobicContact CG-CZ3 4.33Å; F196-W288 HydrophobicContact CZ-CH2 4.13Å; F196-W288 AromaticContact CZ-CZ3 3.87Å; F196-W288 HydrophobicContact CZ-CZ3 3.87Å; F196-V291 HydrophobicContact CE2-CG1 4.18Å; F196-V291 HydrophobicContact CZ-CG1 4.13Å; F196-V291 HydrophobicContact CZ-CG2 4.41Å; F196-L317 HydrophobicContact CB-CD1 3.92Å
197	S	95.7	Very high	92.4	Very high	25 Å²	25	31.7 Å²	31.7	18%	0.175	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	147.9	169.9	61.4	0	0	0	0	111.8	G191 I209 S210	G191-S197 CarbonylContact O-C 3.39Å; G191-S197 WeakPolarHBondContact O-CA 3.33Å; G191-S197 VanDerWaalsContact O-CB 3.24Å; G191-S197 WeakPolarHBondContact O-CB 3.35Å; S197-I209 WeakPolarHBondContact O-CA 3.43Å; S197-S210 PolarHBondContact N-O 3.28Å; S197-S210 PolarHBondContact O-N 3.3Å
198	I	95.5	Very high	92.4	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.8	174	-60.9	179.3	0	0	0	108.6	L187 G191 F196 V207 I208 I209 V291 L292 V295	L187-I198 HydrophobicContact CD2-CD1 4.49Å; L187-I198 HydrophobicContact CD2-CG1 4.35Å; G191-I198 PolarHBondContact O-N 3.41Å; F196-I198 HydrophobicContact CD2-CG1 4.03Å; F196-I198 HydrophobicContact CE2-CD1 3.82Å; F196-I198 HydrophobicContact CE2-CG1 3.81Å; I198-V207 HydrophobicContact CG2-CG1 3.93Å; I198-I208 WeakPolarHBondContact CA-O 3.31Å; I198-I209 HydrophobicContact CB-CD1 4.44Å; I198-I209 HydrophobicContact CD1-CD1 4.33Å; I198-I209 HydrophobicContact CG1-CD1 3.67Å; I198-I209 HydrophobicContact CG2-CD1 4.49Å; I198-V291 HydrophobicContact CD1-CG1 3.36Å; I198-L292 HydrophobicContact CD1-CD2 4.25Å; I198-V295 HydrophobicContact CD1-CG2 4.26Å; I198-V295 HydrophobicContact CG2-CG1 4.49Å
199	N	93.8	Very high	92.5	Very high	59 Å²	59	29 Å²	29	32%	0.316	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	170.4	169.9	-161.8	2.9	0	0	0	110.6	V207 I208 R492	N199-V207 CarbonylContact O-C 3.59Å; N199-I208 HydrophobicContact CB-CB 4.43Å; N199-I208 PolarHBondContact N-O 3.08Å; N199-I208 PolarHBondContact O-N 2.86Å; N199-R492 PolarHBondContact ND2-NH1 3.31Å; N199-R492 PolarHBondContact OD1-NH1 3.5Å
200	I	92.9	Very high	92.5	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.4	173.7	-58.1	-61	0	0	0	109	A206 V207 L296 L489 R492 L493	I200-A206 CarbonylContact C-O 3.57Å; I200-A206 WeakPolarHBondContact CA-O 3.23Å; I200-V207 HydrophobicContact CD1-CB 4.43Å; I200-V207 HydrophobicContact CD1-CG2 3.87Å; I200-L296 HydrophobicContact CD1-CD2 3.98Å; I200-L489 HydrophobicContact CG1-CD2 3.76Å; I200-R492 HydrophobicContact CB-CB 3.96Å; I200-R492 HydrophobicContact CG2-CB 3.81Å; I200-R492 WeakPolarHBondContact O-CD 3.39Å; I200-L493 HydrophobicContact CD1-CD2 4.12Å; I200-L493 HydrophobicContact CG1-CD2 4.2Å; I200-L493 HydrophobicContact CG1-CG 4.3Å; I200-L493 HydrophobicContact CG2-CD2 3.98Å; I200-L493 HydrophobicContact CG2-CG 4.37Å
201	A	90.5	Very high	92.4	Very high	5 Å²	5	28.7 Å²	28.7	4%	0.041	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	114	166.4	0	0	0	0	0	108.5	D203 I204 F205 A206 I208	A201-D203 WeakPolarHBondContact CB-OD1 3.46Å; A201-I204 HydrophobicContact CB-CD1 4.32Å; A201-I204 HydrophobicContact CB-CG1 3.72Å; A201-F205 WeakPolarHBondContact O-CA 3.17Å; A201-F205 PolarHBondContact O-N 2.97Å; A201-A206 HydrophobicContact CB-CB 4.24Å; A201-A206 PolarHBondContact N-O 3.32Å; A201-A206 PolarHBondContact O-N 2.86Å; A201-I208 HydrophobicContact CB-CD1 3.75Å; A201-I208 HydrophobicContact CB-CG1 4.01Å
202	E	84.6	Confident	92.2	Very high	83 Å²	83	28.8 Å²	28.8	39%	0.388	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-25.2	-175.7	-174.8	173.8	177.4	0	0	113.6	R492 K495	E202-R492 HydrophobicContact CB-CB 4.38Å; E202-R492 HydrophobicContact CB-CG 4.19Å; E202-R492 HydrophobicContact CG-CG 4.49Å; E202-K495 WeakPolarHBondContact O-CE 3.46Å
203	D	84.8	Confident	91.5	Very high	99 Å²	99	27.9 Å²	27.9	53%	0.529	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-43.8	-179.7	54.3	-29.5	0	0	0	112.2	A201 R271	A201-D203 WeakPolarHBondContact CB-OD1 3.46Å; D203-R271 IonicContact OD1-NH1 3.49Å; D203-R271 PolarHBondContact OD1-NH1 3.06Å; D203-R271 IonicContact OD2-NH1 3.48Å; D203-R271 PolarHBondContact OD2-NH1 3.47Å
204	I	87.5	Confident	90.6	Very high	78 Å²	78	28.7 Å²	28.7	40%	0.4	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	4.8	-175.6	59.1	173.5	0	0	0	113.7	A201 A206 I310	A201-I204 HydrophobicContact CB-CD1 4.32Å; A201-I204 HydrophobicContact CB-CG1 3.72Å; I204-A206 VanDerWaalsContact C-N 3.29Å; I204-A206 HydrophobicContact CD1-CB 3.87Å; I204-A206 HydrophobicContact CG1-CB 3.84Å; I204-A206 PolarHBondContact O-N 3.22Å; I204-I310 HydrophobicContact CD1-CD1 3.43Å; I204-I310 VanDerWaalsContact CD1-CD1 3.43Å
205	F	87.9	Confident	89.4	Confident	67 Å²	67	30.9 Å²	30.9	29%	0.294	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	47.7	-178	-60.4	-81.8	0	0	0	113	A201 L307 P308 R492 K495	A201-F205 WeakPolarHBondContact O-CA 3.17Å; A201-F205 PolarHBondContact O-N 2.97Å; F205-L307 HydrophobicContact CB-CD2 4.36Å; F205-L307 WeakPolarHBondContact O-CD2 3.4Å; F205-P308 WeakPolarHBondContact O-CD 3.4Å; F205-R492 WeakPolarHBondContact CD1-O 3.36Å; F205-R492 WeakPolarHBondContact CE1-O 3.27Å; F205-K495 HydrophobicContact CE1-CD 4.24Å; F205-K495 HydrophobicContact CE1-CG 4.07Å; F205-K495 HydrophobicContact CZ-CD 3.61Å; F205-K495 HydrophobicContact CZ-CG 3.94Å
206	A	92.6	Very high	88.4	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	145.7	-179.3	0	0	0	0	0	111.3	I200 A201 I204 I208 P308 I310	I200-A206 CarbonylContact C-O 3.57Å; I200-A206 WeakPolarHBondContact CA-O 3.23Å; A201-A206 HydrophobicContact CB-CB 4.24Å; A201-A206 PolarHBondContact N-O 3.32Å; A201-A206 PolarHBondContact O-N 2.86Å; I204-A206 VanDerWaalsContact C-N 3.29Å; I204-A206 HydrophobicContact CD1-CB 3.87Å; I204-A206 HydrophobicContact CG1-CB 3.84Å; I204-A206 PolarHBondContact O-N 3.22Å; A206-I208 PolarHBondContact O-N 3.49Å; A206-P308 CarbonylContact C-O 3.57Å; A206-P308 VanDerWaalsContact CA-O 3.28Å; A206-P308 WeakPolarHBondContact CA-O 3.45Å; A206-P308 HydrophobicContact CB-CB 4.12Å; A206-I310 HydrophobicContact CB-CD1 3.87Å; A206-I310 HydrophobicContact CB-CG1 4.27Å
207	V	94.9	Very high	87.3	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	120.8	167.8	-177.4	0	0	0	0	108.6	I198 N199 I200 I209 L292 L296 L307 P308 I309 I310	I198-V207 HydrophobicContact CG2-CG1 3.93Å; N199-V207 CarbonylContact O-C 3.59Å; I200-V207 HydrophobicContact CD1-CB 4.43Å; I200-V207 HydrophobicContact CD1-CG2 3.87Å; V207-I209 HydrophobicContact CG1-CD1 3.8Å; V207-I209 HydrophobicContact CG1-CG1 4.42Å; V207-L292 HydrophobicContact CG1-CD2 3.76Å; V207-L292 HydrophobicContact CG2-CD2 4.47Å; V207-L296 HydrophobicContact CG2-CD1 4.11Å; V207-L307 HydrophobicContact CG2-CB 3.96Å; V207-L307 HydrophobicContact CG2-CD1 3.96Å; V207-P308 PolarHBondContact N-O 3.4Å; V207-I309 HydrophobicContact CB-CG1 4.45Å; V207-I309 CarbonylContact O-C 3.25Å; V207-I309 WeakPolarHBondContact O-CA 3.44Å; V207-I310 PolarHBondContact O-N 2.81Å
208	I	94.7	Very high	86.1	Confident	11 Å²	11	34.1 Å²	34.1	6%	0.056	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	121.6	173	-57.8	173.2	0	0	0	108.2	I198 N199 A201 A206 E312	I198-I208 WeakPolarHBondContact CA-O 3.31Å; N199-I208 HydrophobicContact CB-CB 4.43Å; N199-I208 PolarHBondContact N-O 3.08Å; N199-I208 PolarHBondContact O-N 2.86Å; A201-I208 HydrophobicContact CB-CD1 3.75Å; A201-I208 HydrophobicContact CB-CG1 4.01Å; A206-I208 PolarHBondContact O-N 3.49Å; I208-E312 HydrophobicContact CG2-CG 3.88Å
209	I	95.7	Very high	85.3	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.6	167.9	-51.7	-58.7	0	0	0	107.8	F196 S197 I198 V207 L279 W288 I309 I310 I311 E312 L317	F196-I209 HydrophobicContact CB-CG2 4.4Å; F196-I209 HydrophobicContact CD2-CG2 4.39Å; S197-I209 WeakPolarHBondContact O-CA 3.43Å; I198-I209 HydrophobicContact CB-CD1 4.44Å; I198-I209 HydrophobicContact CD1-CD1 4.33Å; I198-I209 HydrophobicContact CG1-CD1 3.67Å; I198-I209 HydrophobicContact CG2-CD1 4.49Å; V207-I209 HydrophobicContact CG1-CD1 3.8Å; V207-I209 HydrophobicContact CG1-CG1 4.42Å; I209-L279 HydrophobicContact CB-CD1 4.49Å; I209-L279 HydrophobicContact CG1-CD1 4.08Å; I209-L279 HydrophobicContact CG2-CD1 4.45Å; I209-W288 HydrophobicContact CD1-CZ3 3.93Å; I209-W288 HydrophobicContact CG1-CZ3 4.26Å; I209-W288 HydrophobicContact CG2-CH2 3.66Å; I209-W288 HydrophobicContact CG2-CZ3 3.93Å; I209-I309 HydrophobicContact CG1-CG2 4.2Å; I209-I310 PolarHBondContact N-O 2.74Å; I209-I311 CarbonylContact O-C 3.5Å; I209-I311 WeakPolarHBondContact O-CA 3.32Å; I209-E312 PolarHBondContact O-N 2.93Å; I209-L317 HydrophobicContact CG2-CD2 3.8Å
210	S	93.3	Very high	84.5	Confident	12 Å²	12	39.8 Å²	39.8	8%	0.084	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	151.5	175.8	-49.6	0	0	0	0	110.1	F196 S197 G212 E312	F196-S210 CarbonylContact C-O 3.32Å; F196-S210 VanDerWaalsContact CA-O 3.28Å; F196-S210 WeakPolarHBondContact CA-O 3.32Å; F196-S210 WeakPolarHBondContact CB-O 3.39Å; S197-S210 PolarHBondContact N-O 3.28Å; S197-S210 PolarHBondContact O-N 3.3Å; S210-G212 PolarHBondContact O-N 2.73Å; S210-E312 VanDerWaalsContact OG-CD 3.23Å; S210-E312 PolarHBondContact OG-OE2 3.05Å
211	P	91.7	Very high	84.1	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.8	138	167	-24.5	29	0	0	0	110.4	E312 R313 E316 L317	P211-E312 WeakPolarHBondContact CD-O 3.47Å; P211-R313 HydrophobicContact CG-CB 3.87Å; P211-E316 HydrophobicContact CB-CG 4.2Å; P211-E316 HydrophobicContact CG-CB 3.95Å; P211-E316 HydrophobicContact CG-CG 4.08Å; P211-L317 HydrophobicContact CG-CB 4.14Å
212	G	90	Very high	83.9	Confident	3 Å²	3	51.8 Å²	51.8	3%	0.031	27%	0.27	C	S	.	.			trans	-59	163.6	178.3	0	0	0	0	0	111.4	S193 L195 F196 S210 R320	S193-G212 WeakPolarHBondContact O-CA 3.36Å; L195-G212 PolarHBondContact O-N 3.21Å; F196-G212 VanDerWaalsContact CA-N 3.33Å; S210-G212 PolarHBondContact O-N 2.73Å; G212-R320 PolarHBondContact O-NH1 3.35Å
213	Q	80.4	Confident	84.1	Confident	131 Å²	131	52.3 Å²	52.3	61%	0.612	28%	0.279	S	S	*	.			trans	-121.8	130.4	174.4	-68.4	-176.9	-9.5	0	0	108.3
214	F	74.3	Confident	84.1	Confident	19 Å²	19	50 Å²	50	8%	0.083	27%	0.269	C	S	.	.			trans	-90.1	143	171	-63.1	-93.7	0	0	0	109	P194 F216 M256 L259 Y324	P194-F214 HydrophobicContact CB-CD1 4.16Å; P194-F214 HydrophobicContact CB-CE1 3.58Å; P194-F214 HydrophobicContact CB-CZ 3.97Å; P194-F214 WeakPolarHBondContact O-CE2 3.41Å; P194-F214 WeakPolarHBondContact O-CZ 3.3Å; F214-F216 WeakPolarHBondContact CB-O 3.22Å; F214-F216 PolarHBondContact O-N 2.98Å; F214-M256 HydrophobicContact CD1-CG 3.35Å; F214-M256 HydrophobicContact CD1-SD 4.32Å; F214-M256 HydrophobicContact CE1-CG 3.73Å; F214-M256 HydrophobicContact CG-CG 4.43Å; F214-L259 HydrophobicContact CE1-CB 4.13Å; F214-L259 HydrophobicContact CE2-CB 4.08Å; F214-L259 VanDerWaalsContact CE2-O 3.27Å; F214-L259 WeakPolarHBondContact CE2-O 3.31Å; F214-L259 HydrophobicContact CZ-CB 3.5Å; F214-L259 VanDerWaalsContact CZ-CB 3.5Å; F214-Y324 HydrophobicContact CZ-CE2 4.45Å; F214-Y324 VanDerWaalsContact CZ-OH 3.23Å; F214-Y324 WeakPolarHBondContact CZ-OH 3.46Å
215	A	68.1	Low	84.1	Confident	46 Å²	46	47.6 Å²	47.6	38%	0.38	26%	0.257	S	S	.	.	S	Bend	trans	-65.4	-30.8	170.2	0	0	0	0	0	111.7
216	F	72	Confident	84.1	Confident	18 Å²	18	48.9 Å²	48.9	8%	0.079	27%	0.266	C	S	.	.			trans	-106.9	130	-178.1	-44.8	-56.4	0	0	0	110	F214 Y232 F253 M256 I257	F214-F216 WeakPolarHBondContact CB-O 3.22Å; F214-F216 PolarHBondContact O-N 2.98Å; F216-Y232 HydrophobicContact CE2-CD2 4.36Å; F216-F253 HydrophobicContact CD1-CE2 4.43Å; F216-F253 HydrophobicContact CD2-CD2 4.17Å; F216-F253 AromaticContact CD2-CE2 3.59Å; F216-F253 HydrophobicContact CD2-CE2 3.59Å; F216-F253 HydrophobicContact CD2-CZ 4.47Å; F216-F253 HydrophobicContact CE2-CD2 4.28Å; F216-F253 AromaticContact CE2-CE2 3.75Å; F216-F253 HydrophobicContact CE2-CE2 3.75Å; F216-F253 AromaticContact CG-CE2 3.96Å; F216-F253 HydrophobicContact CG-CE2 3.96Å; F216-F253 HydrophobicContact CG-CZ 4.42Å; F216-F253 HydrophobicContact CZ-CE2 4.23Å; F216-M256 HydrophobicContact CD2-SD 3.62Å; F216-M256 HydrophobicContact CE2-SD 4.05Å; F216-I257 HydrophobicContact CB-CG1 4.01Å
217	H	71.7	Confident	83.9	Confident	16 Å²	16	54.4 Å²	54.4	7%	0.074	29%	0.292	C	S	.	.			trans	-136.9	144	-179.2	-172.9	-77.7	0	0	0	109.9	D219 L220 M225 G260 K261 R262	H217-D219 IonicContact CE1-OD1 3.01Å; H217-D219 IonicContact CE1-OD2 3.8Å; H217-D219 PolarHBondContact CE1-OD2 3.06Å; H217-D219 VanDerWaalsContact ND1-CB 3.33Å; H217-D219 WeakPolarHBondContact ND1-CB 3.35Å; H217-D219 PolarHBondContact ND1-N 3.3Å; H217-D219 IonicContact ND1-OD1 2.6Å; H217-D219 IonicContact ND1-OD2 2.71Å; H217-D219 PolarHBondContact ND1-OD2 3.33Å; H217-D219 IonicContact NE2-OD2 3.74Å; H217-D219 PolarHBondContact O-N 3.49Å; H217-L220 WeakPolarHBondContact O-CG 3.16Å; H217-L220 PolarHBondContact O-N 3.48Å; H217-L220 VanDerWaalsContact O-N 3.09Å; H217-M225 WeakPolarHBondContact O-CE 3.34Å; H217-G260 PolarHBondContact CD2-O 3.23Å; H217-G260 PolarHBondContact NE2-O 2.78Å; H217-K261 WeakPolarHBondContact NE2-CA 3.33Å; H217-R262 VanDerWaalsContact NE2-CB 3.31Å; H217-R262 WeakPolarHBondContact NE2-CB 3.26Å; H217-R262 VanDerWaalsContact NE2-CG 3.3Å; H217-R262 WeakPolarHBondContact NE2-CG 3.23Å; H217-R262 PolarHBondContact NE2-N 3.49Å
218	P	71.7	Confident	83.5	Confident	59 Å²	59	55.3 Å²	55.3	38%	0.383	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-7.1	178.9	22.1	-34.9	0	0	0	116.2	I257 K261	P218-I257 HydrophobicContact CB-CG2 4.25Å; P218-I257 WeakPolarHBondContact CD-O 3.43Å; P218-K261 HydrophobicContact CG-CB 4.04Å; P218-K261 HydrophobicContact CG-CG 4.1Å
219	D	78.6	Confident	83.4	Confident	128 Å²	128	57.1 Å²	57.1	68%	0.684	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-1.9	-178.3	-61.3	-14.3	0	0	0	111.9	H217	H217-D219 IonicContact CE1-OD1 3.01Å; H217-D219 IonicContact CE1-OD2 3.8Å; H217-D219 PolarHBondContact CE1-OD2 3.06Å; H217-D219 VanDerWaalsContact ND1-CB 3.33Å; H217-D219 WeakPolarHBondContact ND1-CB 3.35Å; H217-D219 PolarHBondContact ND1-N 3.3Å; H217-D219 IonicContact ND1-OD1 2.6Å; H217-D219 IonicContact ND1-OD2 2.71Å; H217-D219 PolarHBondContact ND1-OD2 3.33Å; H217-D219 IonicContact NE2-OD2 3.74Å; H217-D219 PolarHBondContact O-N 3.49Å
220	L	76.2	Confident	83.2	Confident	54 Å²	54	63.2 Å²	63.2	28%	0.283	34%	0.335	S	S	.	.	S	Bend	trans	-66	145.5	176.3	-69.5	172.3	0	0	0	110.7	H217 T224 M225	H217-L220 WeakPolarHBondContact O-CG 3.16Å; H217-L220 PolarHBondContact O-N 3.48Å; H217-L220 VanDerWaalsContact O-N 3.09Å; L220-T224 HydrophobicContact CD2-CG2 4.4Å; L220-M225 HydrophobicContact CB-CE 4.11Å; L220-M225 HydrophobicContact CD1-CE 4.23Å
221	P	85.4	Confident	83	Confident	78 Å²	78	66.4 Å²	66.4	51%	0.506	35%	0.351	S	S	.	.			trans	-53.4	142.4	169.4	-23.5	33.3	0	0	0	111.1	T223 T224 M225	P221-T223 PolarHBondContact O-N 3.41Å; P221-T224 WeakPolarHBondContact O-CB 3.37Å; P221-T224 PolarHBondContact O-N 2.66Å; P221-T224 VanDerWaalsContact O-N 3.09Å; P221-M225 PolarHBondContact O-N 3Å
222	K	86.3	Confident	83.1	Confident	182 Å²	182	66.7 Å²	66.7	79%	0.791	35%	0.352	S	S	*	.	H	α-helix	trans	-54.5	-38.5	-178	-72.6	-175.3	177.5	-178.4	0	113.2	M225 N226	K222-M225 PolarHBondContact O-N 3.48Å; K222-N226 VanDerWaalsContact O-CG 3.3Å; K222-N226 PolarHBondContact O-N 3.01Å; K222-N226 PolarHBondContact O-OD1 3.47Å
223	T	88.1	Confident	83.4	Confident	94 Å²	94	67.5 Å²	67.5	58%	0.577	36%	0.355	S	S	*	.	H	α-helix	trans	-62.3	-50.3	177	48.1	0	0	0	0	111.4	P221 M225 N226 E227	P221-T223 PolarHBondContact O-N 3.41Å; T223-M225 VanDerWaalsContact C-N 3.27Å; T223-M225 PolarHBondContact O-N 2.92Å; T223-N226 PolarHBondContact O-N 2.66Å; T223-N226 VanDerWaalsContact O-N 3.16Å; T223-E227 PolarHBondContact O-N 2.82Å
224	T	85.8	Confident	83.9	Confident	51 Å²	51	66.9 Å²	66.9	31%	0.313	35%	0.347	S	S	.	.	H	α-helix	trans	-61.2	-35.3	176	-51.1	0	0	0	0	112.3	L220 P221 S228	L220-T224 HydrophobicContact CD2-CG2 4.4Å; P221-T224 WeakPolarHBondContact O-CB 3.37Å; P221-T224 PolarHBondContact O-N 2.66Å; P221-T224 VanDerWaalsContact O-N 3.09Å; T224-S228 WeakPolarHBondContact O-CB 3.49Å; T224-S228 PolarHBondContact O-N 3.07Å; T224-S228 PolarHBondContact O-OG 2.86Å
225	M	86	Confident	84.8	Confident	28 Å²	28	66.3 Å²	66.3	14%	0.138	34%	0.344	C	S	.	.	H	α-helix	trans	-65.9	-42.7	175.5	-172	64.8	80.6	0	0	111.9	H217 L220 P221 K222 T223 S228 E229 F253 I257	H217-M225 WeakPolarHBondContact O-CE 3.34Å; L220-M225 HydrophobicContact CB-CE 4.11Å; L220-M225 HydrophobicContact CD1-CE 4.23Å; P221-M225 PolarHBondContact O-N 3Å; K222-M225 PolarHBondContact O-N 3.48Å; T223-M225 VanDerWaalsContact C-N 3.27Å; T223-M225 PolarHBondContact O-N 2.92Å; M225-S228 WeakPolarHBondContact O-CB 3.2Å; M225-S228 PolarHBondContact O-N 3.36Å; M225-E229 WeakPolarHBondContact O-CB 3.45Å; M225-E229 PolarHBondContact O-N 3.27Å; M225-F253 HydrophobicContact SD-CZ 4.3Å; M225-I257 HydrophobicContact CE-CD1 4.05Å; M225-I257 HydrophobicContact CE-CG1 4.42Å; M225-I257 HydrophobicContact CE-CG2 4.4Å; M225-I257 HydrophobicContact SD-CD1 3.59Å; M225-I257 VanDerWaalsContact SD-CD1 3.59Å; M225-I257 HydrophobicContact SD-CG1 4.31Å
226	N	89.3	Confident	86.1	Confident	93 Å²	93	64.1 Å²	64.1	50%	0.497	33%	0.326	S	S	.	.	H	α-helix	trans	-65.3	-45.6	178.1	-68.9	-3.9	0	0	0	111.6	K222 T223 S228 E229 E230	K222-N226 VanDerWaalsContact O-CG 3.3Å; K222-N226 PolarHBondContact O-N 3.01Å; K222-N226 PolarHBondContact O-OD1 3.47Å; T223-N226 PolarHBondContact O-N 2.66Å; T223-N226 VanDerWaalsContact O-N 3.16Å; N226-S228 VanDerWaalsContact C-N 3.3Å; N226-S228 PolarHBondContact O-N 3.4Å; N226-E229 PolarHBondContact O-N 3.02Å; N226-E230 WeakPolarHBondContact O-CG 3.38Å; N226-E230 PolarHBondContact O-N 3.48Å
227	E	87.3	Confident	87.2	Confident	117 Å²	117	65.3 Å²	65.3	55%	0.547	33%	0.331	S	S	.	.	H	α-helix	trans	-59.3	-43	175.2	-70.4	167.9	-176.9	0	0	111.3	T223 E229 E230 D231	T223-E227 PolarHBondContact O-N 2.82Å; E227-E229 VanDerWaalsContact C-N 3.32Å; E227-E229 PolarHBondContact O-N 2.6Å; E227-E230 PolarHBondContact O-N 3.37Å; E227-D231 WeakPolarHBondContact O-CB 3.46Å; E227-D231 PolarHBondContact O-N 3.01Å
228	S	87.5	Confident	88.1	Confident	20 Å²	20	67.9 Å²	67.9	14%	0.14	34%	0.343	C	S	.	.	H	α-helix	trans	-60.8	-39.2	176.2	-70.9	0	0	0	0	113.2	T224 M225 N226 Y232	T224-S228 WeakPolarHBondContact O-CB 3.49Å; T224-S228 PolarHBondContact O-N 3.07Å; T224-S228 PolarHBondContact O-OG 2.86Å; M225-S228 WeakPolarHBondContact O-CB 3.2Å; M225-S228 PolarHBondContact O-N 3.36Å; N226-S228 VanDerWaalsContact C-N 3.3Å; N226-S228 PolarHBondContact O-N 3.4Å; S228-Y232 WeakPolarHBondContact O-CB 3.48Å; S228-Y232 PolarHBondContact O-N 2.85Å
229	E	91.9	Very high	89.2	Confident	50 Å²	50	65 Å²	65	23%	0.234	33%	0.325	C	S	.	.	H	α-helix	trans	-68.9	-42.6	177.2	-177.5	173.1	-165.1	0	0	111.4	M225 N226 E227 Y232 Y233 F253	M225-E229 WeakPolarHBondContact O-CB 3.45Å; M225-E229 PolarHBondContact O-N 3.27Å; N226-E229 PolarHBondContact O-N 3.02Å; E227-E229 VanDerWaalsContact C-N 3.32Å; E227-E229 PolarHBondContact O-N 2.6Å; E229-Y232 WeakPolarHBondContact O-CB 3.44Å; E229-Y232 PolarHBondContact O-N 3.19Å; E229-Y233 HydrophobicContact CG-CD2 3.94Å; E229-Y233 HydrophobicContact CG-CE2 3.28Å; E229-Y233 VanDerWaalsContact O-CD2 3.25Å; E229-Y233 WeakPolarHBondContact O-CD2 3.17Å; E229-Y233 PolarHBondContact O-N 3.21Å; E229-Y233 WeakPolarHBondContact OE1-CE2 3.19Å; E229-Y233 PolarHBondContact OE1-OH 3.11Å; E229-F253 HydrophobicContact CB-CD1 4.41Å; E229-F253 HydrophobicContact CB-CE1 3.59Å; E229-F253 HydrophobicContact CB-CE2 4.43Å; E229-F253 HydrophobicContact CB-CZ 3.61Å; E229-F253 HydrophobicContact CG-CD1 4.03Å; E229-F253 HydrophobicContact CG-CE1 3.68Å; E229-F253 HydrophobicContact CG-CZ 4.11Å
230	E	91.8	Very high	89.8	Confident	128 Å²	128	60 Å²	60	60%	0.598	30%	0.304	S	S	*	.	H	α-helix	trans	-62.3	-43.5	175.5	-72.3	-178	-179.2	0	0	112.1	N226 E227 Y232 Y233 R234	N226-E230 WeakPolarHBondContact O-CG 3.38Å; N226-E230 PolarHBondContact O-N 3.48Å; E227-E230 PolarHBondContact O-N 3.37Å; E230-Y232 VanDerWaalsContact C-N 3.34Å; E230-Y232 PolarHBondContact O-N 3.01Å; E230-Y233 PolarHBondContact O-N 2.8Å; E230-R234 VanDerWaalsContact O-CB 3.31Å; E230-R234 WeakPolarHBondContact O-CB 3.38Å; E230-R234 PolarHBondContact O-N 3.08Å
231	D	89.5	Confident	90.7	Very high	78 Å²	78	57.8 Å²	57.8	42%	0.417	29%	0.292	S	S	.	.	H	α-helix	trans	-60.7	-42.3	174.9	-77.8	3.4	0	0	0	112.2	E227 R234 L235	E227-D231 WeakPolarHBondContact O-CB 3.46Å; E227-D231 PolarHBondContact O-N 3.01Å; D231-R234 PolarHBondContact O-N 2.99Å; D231-R234 IonicContact OD1-CZ 3.54Å; D231-R234 IonicContact OD1-NH1 3.61Å; D231-R234 PolarHBondContact OD1-NH1 2.88Å; D231-R234 IonicContact OD1-NH2 3.83Å; D231-R234 PolarHBondContact OD1-NH2 2.78Å; D231-R234 IonicContact OD2-NH2 3.37Å; D231-L235 WeakPolarHBondContact O-CB 3.28Å; D231-L235 PolarHBondContact O-N 3.22Å
232	Y	93.1	Very high	91.1	Very high	8 Å²	8	58.2 Å²	58.2	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-61.3	-47.9	176.3	174.4	-90.6	0	0	0	111.7	F216 S228 E229 E230 A236 L249 F253 M256 M343	F216-Y232 HydrophobicContact CE2-CD2 4.36Å; S228-Y232 WeakPolarHBondContact O-CB 3.48Å; S228-Y232 PolarHBondContact O-N 2.85Å; E229-Y232 WeakPolarHBondContact O-CB 3.44Å; E229-Y232 PolarHBondContact O-N 3.19Å; E230-Y232 VanDerWaalsContact C-N 3.34Å; E230-Y232 PolarHBondContact O-N 3.01Å; Y232-A236 PolarHBondContact O-N 3.46Å; Y232-A236 VanDerWaalsContact O-N 3.16Å; Y232-L249 HydrophobicContact CE1-CB 4.09Å; Y232-L249 HydrophobicContact CE1-CD2 4.38Å; Y232-L249 WeakPolarHBondContact CE1-O 3.36Å; Y232-L249 PolarHBondContact OH-O 3.25Å; Y232-F253 HydrophobicContact CD1-CB 4.1Å; Y232-F253 AromaticContact CD1-CD2 3.82Å; Y232-F253 HydrophobicContact CD1-CD2 3.82Å; Y232-F253 HydrophobicContact CD1-CG 4.21Å; Y232-F253 AromaticContact CD2-CD2 3.85Å; Y232-F253 HydrophobicContact CD2-CD2 3.85Å; Y232-F253 HydrophobicContact CD2-CE2 4.47Å; Y232-F253 HydrophobicContact CE1-CB 3.77Å; Y232-F253 HydrophobicContact CE1-CD2 4.21Å; Y232-F253 HydrophobicContact CE1-CG 4.37Å; Y232-F253 HydrophobicContact CE2-CD2 4.22Å; Y232-F253 AromaticContact CG-CD2 3.62Å; Y232-F253 HydrophobicContact CG-CD2 3.62Å; Y232-F253 HydrophobicContact CG-CE2 4.16Å; Y232-F253 HydrophobicContact CG-CG 4.46Å; Y232-M256 HydrophobicContact CE2-CE 4.09Å; Y232-M343 HydrophobicContact CD1-CE 4.31Å; Y232-M343 HydrophobicContact CD2-CB 4.29Å; Y232-M343 HydrophobicContact CD2-CE 3.46Å; Y232-M343 VanDerWaalsContact CD2-CE 3.46Å; Y232-M343 HydrophobicContact CD2-CG 4.45Å; Y232-M343 HydrophobicContact CE1-CE 4.32Å; Y232-M343 HydrophobicContact CE2-CB 3.51Å; Y232-M343 HydrophobicContact CE2-CE 3.5Å; Y232-M343 VanDerWaalsContact CE2-CE 3.5Å; Y232-M343 HydrophobicContact CE2-CG 3.56Å; Y232-M343 HydrophobicContact CE2-SD 4.36Å; Y232-M343 HydrophobicContact CG-CE 3.9Å; Y232-M343 WeakPolarHBondContact O-CE 3.39Å
233	Y	95.6	Very high	91.4	Very high	20 Å²	20	55.3 Å²	55.3	8%	0.078	28%	0.279	C	S	.	.	H	α-helix	trans	-66	-43.5	177.5	-67.7	-43.1	0	0	0	112.3	E229 E230 L235 A236 F237 K246 L249 T250	E229-Y233 HydrophobicContact CG-CD2 3.94Å; E229-Y233 HydrophobicContact CG-CE2 3.28Å; E229-Y233 VanDerWaalsContact O-CD2 3.25Å; E229-Y233 WeakPolarHBondContact O-CD2 3.17Å; E229-Y233 PolarHBondContact O-N 3.21Å; E229-Y233 WeakPolarHBondContact OE1-CE2 3.19Å; E229-Y233 PolarHBondContact OE1-OH 3.11Å; E230-Y233 PolarHBondContact O-N 2.8Å; Y233-L235 VanDerWaalsContact C-N 3.33Å; Y233-L235 PolarHBondContact O-N 2.67Å; Y233-A236 PolarHBondContact O-N 3.37Å; Y233-A236 VanDerWaalsContact O-N 3.17Å; Y233-F237 HydrophobicContact CG-CE2 4.46Å; Y233-F237 WeakPolarHBondContact O-CD2 3.46Å; Y233-F237 VanDerWaalsContact O-CG 3.32Å; Y233-F237 WeakPolarHBondContact O-CG 3.03Å; Y233-F237 PolarHBondContact O-N 3.49Å; Y233-K246 HydrophobicContact CE1-CG 4.48Å; Y233-L249 HydrophobicContact CD1-CB 4.04Å; Y233-L249 HydrophobicContact CD1-CD1 4.22Å; Y233-L249 HydrophobicContact CE1-CB 3.86Å; Y233-T250 WeakPolarHBondContact OH-CA 3.45Å; Y233-T250 WeakPolarHBondContact OH-CB 3.47Å; Y233-T250 WeakPolarHBondContact OH-CG2 3.18Å; Y233-T250 PolarHBondContact OH-OG1 2.95Å
234	R	92.8	Very high	91.8	Very high	118 Å²	118	55 Å²	55	45%	0.445	28%	0.281	S	S	.	.	H	α-helix	trans	-57.4	-47.4	178	-176.1	174.8	66.5	-104.3	0.7	111.1	E230 D231 A236 F237 E238	E230-R234 VanDerWaalsContact O-CB 3.31Å; E230-R234 WeakPolarHBondContact O-CB 3.38Å; E230-R234 PolarHBondContact O-N 3.08Å; D231-R234 PolarHBondContact O-N 2.99Å; D231-R234 IonicContact OD1-CZ 3.54Å; D231-R234 IonicContact OD1-NH1 3.61Å; D231-R234 PolarHBondContact OD1-NH1 2.88Å; D231-R234 IonicContact OD1-NH2 3.83Å; D231-R234 PolarHBondContact OD1-NH2 2.78Å; D231-R234 IonicContact OD2-NH2 3.37Å; R234-A236 VanDerWaalsContact C-N 3.34Å; R234-A236 PolarHBondContact O-N 3.25Å; R234-F237 PolarHBondContact O-N 3.29Å; R234-E238 HydrophobicContact CG-CG 4.29Å; R234-E238 WeakPolarHBondContact CG-OE1 3.37Å; R234-E238 WeakPolarHBondContact O-CB 3.32Å; R234-E238 VanDerWaalsContact O-CG 3.31Å; R234-E238 WeakPolarHBondContact O-CG 3.26Å; R234-E238 PolarHBondContact O-N 3.17Å
235	L	92.6	Very high	92.2	Very high	6 Å²	6	54 Å²	54	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-57	-45.8	175.7	171.2	58	0	0	0	112	R143 D231 Y233 T239 M343 L346 R347 Q350	R143-L235 PolarHBondContact NH1-O 2.97Å; D231-L235 WeakPolarHBondContact O-CB 3.28Å; D231-L235 PolarHBondContact O-N 3.22Å; Y233-L235 VanDerWaalsContact C-N 3.33Å; Y233-L235 PolarHBondContact O-N 2.67Å; L235-T239 VanDerWaalsContact O-CB 3.32Å; L235-T239 WeakPolarHBondContact O-CB 3.47Å; L235-T239 PolarHBondContact O-N 2.96Å; L235-T239 PolarHBondContact O-OG1 2.95Å; L235-M343 HydrophobicContact CB-CE 4.21Å; L235-M343 HydrophobicContact CD2-CE 3.89Å; L235-M343 HydrophobicContact CG-CE 4.02Å; L235-L346 HydrophobicContact CD1-CB 4.1Å; L235-L346 HydrophobicContact CD2-CB 3.83Å; L235-L346 HydrophobicContact CG-CB 4.24Å; L235-R347 HydrophobicContact CD2-CB 4.35Å; L235-Q350 HydrophobicContact CD1-CG 4.26Å; L235-Q350 VanDerWaalsContact CD1-NE2 3.35Å
236	A	95.4	Very high	92.7	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.2	-46.3	179.3	0	0	0	0	0	112	W154 Y232 Y233 R234 T239 G240 V241 L249 M343	W154-A236 HydrophobicContact CH2-CB 4.21Å; Y232-A236 PolarHBondContact O-N 3.46Å; Y232-A236 VanDerWaalsContact O-N 3.16Å; Y233-A236 PolarHBondContact O-N 3.37Å; Y233-A236 VanDerWaalsContact O-N 3.17Å; R234-A236 VanDerWaalsContact C-N 3.34Å; R234-A236 PolarHBondContact O-N 3.25Å; A236-T239 CarbonylContact O-C 3.1Å; A236-T239 WeakPolarHBondContact O-CA 3.36Å; A236-T239 WeakPolarHBondContact O-CB 3.41Å; A236-T239 PolarHBondContact O-N 3.49Å; A236-G240 PolarHBondContact O-N 3.31Å; A236-V241 HydrophobicContact CB-CB 4.32Å; A236-V241 HydrophobicContact CB-CG2 4.13Å; A236-V241 WeakPolarHBondContact O-CB 3.39Å; A236-V241 WeakPolarHBondContact O-CG2 3.47Å; A236-V241 PolarHBondContact O-N 3.4Å; A236-V241 VanDerWaalsContact O-N 3.09Å; A236-L249 HydrophobicContact CB-CD1 3.56Å; A236-L249 HydrophobicContact CB-CD2 3.78Å; A236-L249 HydrophobicContact CB-CG 4.34Å; A236-M343 HydrophobicContact CB-CE 3.89Å; A236-M343 HydrophobicContact CB-SD 3.98Å
237	F	94.9	Very high	93	Very high	43 Å²	43	57.8 Å²	57.8	19%	0.189	29%	0.294	C	S	.	.	H	α-helix	trans	-70.5	-39.7	-178.3	-62.3	-42.6	0	0	0	113.2	Y233 R234 T239 G240 V241 K246 L249	Y233-F237 HydrophobicContact CG-CE2 4.46Å; Y233-F237 WeakPolarHBondContact O-CD2 3.46Å; Y233-F237 VanDerWaalsContact O-CG 3.32Å; Y233-F237 WeakPolarHBondContact O-CG 3.03Å; Y233-F237 PolarHBondContact O-N 3.49Å; R234-F237 PolarHBondContact O-N 3.29Å; F237-T239 PolarHBondContact O-N 2.81Å; F237-G240 WeakPolarHBondContact O-CA 3.03Å; F237-G240 PolarHBondContact O-N 2.82Å; F237-V241 HydrophobicContact CD1-CB 4.35Å; F237-V241 WeakPolarHBondContact CD1-O 3.47Å; F237-V241 HydrophobicContact CE1-CG1 4.49Å; F237-K246 HydrophobicContact CZ-CB 4.17Å; F237-K246 HydrophobicContact CZ-CD 4.4Å; F237-K246 HydrophobicContact CZ-CG 4.22Å; F237-L249 HydrophobicContact CD1-CD1 4.42Å; F237-L249 HydrophobicContact CE1-CD1 3.82Å; F237-L249 HydrophobicContact CZ-CD1 4.13Å
238	E	91.4	Very high	93.4	Very high	70 Å²	70	55.5 Å²	55.5	33%	0.327	28%	0.283	S	S	.	.	H	α-helix	trans	-62.6	-30	170.7	-74.7	176.6	-173.5	0	0	112.2	R143 R234 G240	R143-E238 IonicContact CZ-OE2 2.99Å; R143-E238 IonicContact NH1-OE2 3.81Å; R143-E238 PolarHBondContact NH1-OE2 3.46Å; R143-E238 IonicContact NH2-OE2 3.11Å; R143-E238 PolarHBondContact NH2-OE2 3.48Å; R234-E238 HydrophobicContact CG-CG 4.29Å; R234-E238 WeakPolarHBondContact CG-OE1 3.37Å; R234-E238 WeakPolarHBondContact O-CB 3.32Å; R234-E238 VanDerWaalsContact O-CG 3.31Å; R234-E238 WeakPolarHBondContact O-CG 3.26Å; R234-E238 PolarHBondContact O-N 3.17Å; E238-G240 PolarHBondContact O-N 3.1Å
239	T	92.8	Very high	93.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	1.3	171.9	-48.4	0	0	0	0	111.6	R143 H144 I147 I157 L235 A236 F237 L346	R143-T239 HydrophobicContact CB-CG2 3.71Å; R143-T239 WeakPolarHBondContact CD-OG1 3.43Å; R143-T239 HydrophobicContact CG-CG2 4.45Å; R143-T239 PolarHBondContact NH1-OG1 3.37Å; H144-T239 PolarHBondContact CD2-O 2.88Å; H144-T239 VanDerWaalsContact CD2-O 3.23Å; H144-T239 PolarHBondContact NE2-O 3.27Å; I147-T239 HydrophobicContact CD1-CG2 3.68Å; I157-T239 HydrophobicContact CD1-CG2 3.93Å; I157-T239 WeakPolarHBondContact CD1-O 3.41Å; L235-T239 VanDerWaalsContact O-CB 3.32Å; L235-T239 WeakPolarHBondContact O-CB 3.47Å; L235-T239 PolarHBondContact O-N 2.96Å; L235-T239 PolarHBondContact O-OG1 2.95Å; A236-T239 CarbonylContact O-C 3.1Å; A236-T239 WeakPolarHBondContact O-CA 3.36Å; A236-T239 WeakPolarHBondContact O-CB 3.41Å; A236-T239 PolarHBondContact O-N 3.49Å; F237-T239 PolarHBondContact O-N 2.81Å; T239-L346 HydrophobicContact CG2-CD1 3.96Å
240	G	92.8	Very high	94	Very high	23 Å²	23	53.7 Å²	53.7	24%	0.237	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	14.6	173.5	0	0	0	0	0	115.5	A236 F237 E238	A236-G240 PolarHBondContact O-N 3.31Å; F237-G240 WeakPolarHBondContact O-CA 3.03Å; F237-G240 PolarHBondContact O-N 2.82Å; E238-G240 PolarHBondContact O-N 3.1Å
241	V	95.1	Very high	94.2	Very high	7 Å²	7	51.3 Å²	51.3	4%	0.042	26%	0.264	C	S	.	.			trans	-64.4	135.4	166.6	176.3	0	0	0	0	109.3	W154 L156 I157 A236 F237 N245 L249	W154-V241 HydrophobicContact CD2-CG2 4.46Å; W154-V241 HydrophobicContact CE3-CG2 4.02Å; W154-V241 HydrophobicContact CH2-CG2 3.44Å; W154-V241 VanDerWaalsContact CH2-CG2 3.44Å; W154-V241 HydrophobicContact CZ2-CG2 3.97Å; W154-V241 HydrophobicContact CZ3-CG2 3.49Å; W154-V241 VanDerWaalsContact CZ3-CG2 3.49Å; L156-V241 HydrophobicContact CB-CG1 3.91Å; L156-V241 HydrophobicContact CB-CG2 4.1Å; I157-V241 HydrophobicContact CD1-CG2 4.36Å; I157-V241 HydrophobicContact CG1-CG2 3.78Å; A236-V241 HydrophobicContact CB-CB 4.32Å; A236-V241 HydrophobicContact CB-CG2 4.13Å; A236-V241 WeakPolarHBondContact O-CB 3.39Å; A236-V241 WeakPolarHBondContact O-CG2 3.47Å; A236-V241 PolarHBondContact O-N 3.4Å; A236-V241 VanDerWaalsContact O-N 3.09Å; F237-V241 HydrophobicContact CD1-CB 4.35Å; F237-V241 WeakPolarHBondContact CD1-O 3.47Å; F237-V241 HydrophobicContact CE1-CG1 4.49Å; V241-N245 HydrophobicContact CG1-CB 3.89Å; V241-L249 HydrophobicContact CB-CD1 4.49Å; V241-L249 HydrophobicContact CG1-CD1 3.83Å; V241-L249 HydrophobicContact CG1-CD2 4.5Å; V241-L249 HydrophobicContact CG1-CG 4.26Å
242	L	93.1	Very high	94.5	Very high	87 Å²	87	47.6 Å²	47.6	46%	0.455	24%	0.244	S	C	.	.			trans	-69.8	142.9	176.8	-63.4	178.3	0	0	0	111.2	P158 S244 N245	P158-L242 HydrophobicContact CG-CD1 4.03Å; P158-L242 HydrophobicContact CG-CD2 4.04Å; P158-L242 HydrophobicContact CG-CG 3.98Å; L242-S244 WeakPolarHBondContact CB-OG 3.35Å; L242-S244 PolarHBondContact O-N 3.03Å; L242-S244 VanDerWaalsContact O-N 3.15Å; L242-N245 WeakPolarHBondContact O-CB 2.72Å; L242-N245 PolarHBondContact O-N 3.48Å
243	Q	93.4	Very high	94.6	Very high	120 Å²	120	47.3 Å²	47.3	56%	0.561	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-57.3	-29.9	175.6	-70.5	-64.9	-23.9	0	0	112.9	N245 K246	Q243-N245 PolarHBondContact O-N 3.4Å; Q243-K246 WeakPolarHBondContact O-CB 3.47Å; Q243-K246 PolarHBondContact O-N 2.77Å
244	S	95.1	Very high	94.5	Very high	89 Å²	89	52.1 Å²	52.1	62%	0.622	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-61.2	-21.1	174.2	57.7	0	0	0	0	113.7	L242 K246	L242-S244 WeakPolarHBondContact CB-OG 3.35Å; L242-S244 PolarHBondContact O-N 3.03Å; L242-S244 VanDerWaalsContact O-N 3.15Å; S244-K246 VanDerWaalsContact C-N 3.34Å
245	N	95	Very high	94.5	Very high	29 Å²	29	47 Å²	47	16%	0.155	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-93.8	12	-179.2	-67.1	-18.7	0	0	0	113.2	L156 V241 L242 Q243 T247 Q248 L249	L156-N245 HydrophobicContact CB-CB 4.41Å; L156-N245 HydrophobicContact CD2-CB 4.1Å; L156-N245 PolarHBondContact O-ND2 3.21Å; L156-N245 VanDerWaalsContact O-ND2 3.12Å; V241-N245 HydrophobicContact CG1-CB 3.89Å; L242-N245 WeakPolarHBondContact O-CB 2.72Å; L242-N245 PolarHBondContact O-N 3.48Å; Q243-N245 PolarHBondContact O-N 3.4Å; N245-T247 PolarHBondContact O-N 3.04Å; N245-Q248 VanDerWaalsContact C-OE1 3.26Å; N245-Q248 PolarHBondContact O-N 3.42Å; N245-Q248 PolarHBondContact O-OE1 2.79Å; N245-L249 PolarHBondContact O-N 3.14Å
246	K	95.9	Very high	94.4	Very high	97 Å²	97	46.8 Å²	46.8	42%	0.422	25%	0.247	S	C	.	.	H	α-helix	trans	-58.4	-34.8	180	-174.4	174.1	180	178.2	0	112.7	Y233 F237 Q243 S244 L249 T250	Y233-K246 HydrophobicContact CE1-CG 4.48Å; F237-K246 HydrophobicContact CZ-CB 4.17Å; F237-K246 HydrophobicContact CZ-CD 4.4Å; F237-K246 HydrophobicContact CZ-CG 4.22Å; Q243-K246 WeakPolarHBondContact O-CB 3.47Å; Q243-K246 PolarHBondContact O-N 2.77Å; S244-K246 VanDerWaalsContact C-N 3.34Å; K246-L249 WeakPolarHBondContact O-CB 3.4Å; K246-L249 PolarHBondContact O-N 2.97Å; K246-T250 WeakPolarHBondContact O-CB 3.37Å; K246-T250 PolarHBondContact O-N 3.16Å; K246-T250 PolarHBondContact O-OG1 3.4Å
247	T	96.4	Very high	94.1	Very high	103 Å²	103	48.2 Å²	48.2	63%	0.632	25%	0.254	S	S	*	.	H	α-helix	trans	-61.5	-45.5	178.7	-53.6	0	0	0	0	111.6	N245 L249 T250 E251	N245-T247 PolarHBondContact O-N 3.04Å; T247-L249 VanDerWaalsContact C-N 3.34Å; T247-L249 PolarHBondContact O-N 2.62Å; T247-T250 WeakPolarHBondContact O-CB 3.2Å; T247-T250 PolarHBondContact O-N 2.98Å; T247-E251 PolarHBondContact O-N 2.92Å
248	Q	95.6	Very high	93.8	Very high	69 Å²	69	52.4 Å²	52.4	32%	0.322	27%	0.268	S	S	.	.	H	α-helix	trans	-64.8	-39.4	177.6	-62.9	90	-36	0	0	111.4	L156 N245 T250 E251 A252	L156-Q248 HydrophobicContact CD1-CB 4.15Å; L156-Q248 HydrophobicContact CD2-CB 4.06Å; L156-Q248 HydrophobicContact CD2-CG 4.24Å; N245-Q248 VanDerWaalsContact C-OE1 3.26Å; N245-Q248 PolarHBondContact O-N 3.42Å; N245-Q248 PolarHBondContact O-OE1 2.79Å; Q248-T250 VanDerWaalsContact C-N 3.33Å; Q248-E251 PolarHBondContact O-N 3.36Å; Q248-A252 WeakPolarHBondContact O-CB 3.31Å; Q248-A252 PolarHBondContact O-N 2.71Å
249	L	96.5	Very high	93.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-43.1	173	-70.3	177.1	0	0	0	111.7	W154 L156 Y232 Y233 A236 F237 V241 N245 K246 T247 A252 F253 T339	W154-L249 HydrophobicContact CH2-CD2 4.08Å; W154-L249 HydrophobicContact CZ2-CD2 3.87Å; L156-L249 HydrophobicContact CD1-CD2 3.93Å; L156-L249 HydrophobicContact CD1-CG 4.31Å; Y232-L249 HydrophobicContact CE1-CB 4.09Å; Y232-L249 HydrophobicContact CE1-CD2 4.38Å; Y232-L249 WeakPolarHBondContact CE1-O 3.36Å; Y232-L249 PolarHBondContact OH-O 3.25Å; Y233-L249 HydrophobicContact CD1-CB 4.04Å; Y233-L249 HydrophobicContact CD1-CD1 4.22Å; Y233-L249 HydrophobicContact CE1-CB 3.86Å; A236-L249 HydrophobicContact CB-CD1 3.56Å; A236-L249 HydrophobicContact CB-CD2 3.78Å; A236-L249 HydrophobicContact CB-CG 4.34Å; F237-L249 HydrophobicContact CD1-CD1 4.42Å; F237-L249 HydrophobicContact CE1-CD1 3.82Å; F237-L249 HydrophobicContact CZ-CD1 4.13Å; V241-L249 HydrophobicContact CB-CD1 4.49Å; V241-L249 HydrophobicContact CG1-CD1 3.83Å; V241-L249 HydrophobicContact CG1-CD2 4.5Å; V241-L249 HydrophobicContact CG1-CG 4.26Å; N245-L249 PolarHBondContact O-N 3.14Å; K246-L249 WeakPolarHBondContact O-CB 3.4Å; K246-L249 PolarHBondContact O-N 2.97Å; T247-L249 VanDerWaalsContact C-N 3.34Å; T247-L249 PolarHBondContact O-N 2.62Å; L249-A252 PolarHBondContact O-N 3.42Å; L249-F253 WeakPolarHBondContact O-CB 3.43Å; L249-F253 PolarHBondContact O-N 3.14Å; L249-T339 HydrophobicContact CD2-CG2 4.19Å
250	T	96	Very high	93.1	Very high	32 Å²	32	49.4 Å²	49.4	20%	0.196	26%	0.255	C	S	.	.	H	α-helix	trans	-63.4	-46.1	179.8	-53.1	0	0	0	0	110.8	Y233 K246 T247 Q248 A252 F253 Q254	Y233-T250 WeakPolarHBondContact OH-CA 3.45Å; Y233-T250 WeakPolarHBondContact OH-CB 3.47Å; Y233-T250 WeakPolarHBondContact OH-CG2 3.18Å; Y233-T250 PolarHBondContact OH-OG1 2.95Å; K246-T250 WeakPolarHBondContact O-CB 3.37Å; K246-T250 PolarHBondContact O-N 3.16Å; K246-T250 PolarHBondContact O-OG1 3.4Å; T247-T250 WeakPolarHBondContact O-CB 3.2Å; T247-T250 PolarHBondContact O-N 2.98Å; Q248-T250 VanDerWaalsContact C-N 3.33Å; T250-A252 VanDerWaalsContact C-N 3.34Å; T250-A252 PolarHBondContact O-N 2.67Å; T250-F253 PolarHBondContact O-N 3.01Å; T250-Q254 HydrophobicContact CG2-CG 4.45Å; T250-Q254 WeakPolarHBondContact O-CB 3.34Å; T250-Q254 WeakPolarHBondContact O-CG 3.47Å; T250-Q254 PolarHBondContact O-N 3.31Å
251	E	96	Very high	92.3	Very high	79 Å²	79	55.7 Å²	55.7	37%	0.369	28%	0.276	S	S	.	.	H	α-helix	trans	-62.1	-42	178.2	-175	172	-154.9	0	0	111.9	T247 Q248 T255 I336	T247-E251 PolarHBondContact O-N 2.92Å; Q248-E251 PolarHBondContact O-N 3.36Å; E251-T255 VanDerWaalsContact O-CB 3.27Å; E251-T255 WeakPolarHBondContact O-CB 3.46Å; E251-T255 PolarHBondContact O-N 3.26Å; E251-T255 PolarHBondContact O-OG1 3Å; E251-I336 HydrophobicContact CG-CD1 3.74Å; E251-I336 HydrophobicContact CG-CG1 4.13Å
252	A	95.4	Very high	91	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.1	-40.9	174.6	0	0	0	0	0	112.8	Q248 L249 T250 T255 M256 I336 T339 I340	Q248-A252 WeakPolarHBondContact O-CB 3.31Å; Q248-A252 PolarHBondContact O-N 2.71Å; L249-A252 PolarHBondContact O-N 3.42Å; T250-A252 VanDerWaalsContact C-N 3.34Å; T250-A252 PolarHBondContact O-N 2.67Å; A252-T255 PolarHBondContact O-N 3.11Å; A252-M256 WeakPolarHBondContact O-CB 3.37Å; A252-M256 PolarHBondContact O-N 3.15Å; A252-I336 HydrophobicContact CB-CG2 4.45Å; A252-T339 HydrophobicContact CB-CG2 3.46Å; A252-T339 VanDerWaalsContact CB-CG2 3.46Å; A252-I340 HydrophobicContact CB-CG1 4.21Å
253	F	94.2	Very high	89.7	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.009	30%	0.298	C	S	.	.	H	α-helix	trans	-63.7	-47.7	176.5	-176.6	-104.1	0	0	0	111.9	F216 M225 E229 Y232 L249 T250 T255 M256 I257	F216-F253 HydrophobicContact CD1-CE2 4.43Å; F216-F253 HydrophobicContact CD2-CD2 4.17Å; F216-F253 AromaticContact CD2-CE2 3.59Å; F216-F253 HydrophobicContact CD2-CE2 3.59Å; F216-F253 HydrophobicContact CD2-CZ 4.47Å; F216-F253 HydrophobicContact CE2-CD2 4.28Å; F216-F253 AromaticContact CE2-CE2 3.75Å; F216-F253 HydrophobicContact CE2-CE2 3.75Å; F216-F253 AromaticContact CG-CE2 3.96Å; F216-F253 HydrophobicContact CG-CE2 3.96Å; F216-F253 HydrophobicContact CG-CZ 4.42Å; F216-F253 HydrophobicContact CZ-CE2 4.23Å; M225-F253 HydrophobicContact SD-CZ 4.3Å; E229-F253 HydrophobicContact CB-CD1 4.41Å; E229-F253 HydrophobicContact CB-CE1 3.59Å; E229-F253 HydrophobicContact CB-CE2 4.43Å; E229-F253 HydrophobicContact CB-CZ 3.61Å; E229-F253 HydrophobicContact CG-CD1 4.03Å; E229-F253 HydrophobicContact CG-CE1 3.68Å; E229-F253 HydrophobicContact CG-CZ 4.11Å; Y232-F253 HydrophobicContact CD1-CB 4.1Å; Y232-F253 AromaticContact CD1-CD2 3.82Å; Y232-F253 HydrophobicContact CD1-CD2 3.82Å; Y232-F253 HydrophobicContact CD1-CG 4.21Å; Y232-F253 AromaticContact CD2-CD2 3.85Å; Y232-F253 HydrophobicContact CD2-CD2 3.85Å; Y232-F253 HydrophobicContact CD2-CE2 4.47Å; Y232-F253 HydrophobicContact CE1-CB 3.77Å; Y232-F253 HydrophobicContact CE1-CD2 4.21Å; Y232-F253 HydrophobicContact CE1-CG 4.37Å; Y232-F253 HydrophobicContact CE2-CD2 4.22Å; Y232-F253 AromaticContact CG-CD2 3.62Å; Y232-F253 HydrophobicContact CG-CD2 3.62Å; Y232-F253 HydrophobicContact CG-CE2 4.16Å; Y232-F253 HydrophobicContact CG-CG 4.46Å; L249-F253 WeakPolarHBondContact O-CB 3.43Å; L249-F253 PolarHBondContact O-N 3.14Å; T250-F253 PolarHBondContact O-N 3.01Å; F253-T255 VanDerWaalsContact C-N 3.33Å; F253-T255 PolarHBondContact O-N 3.28Å; F253-M256 WeakPolarHBondContact O-CB 3.33Å; F253-M256 PolarHBondContact O-N 3.05Å; F253-I257 HydrophobicContact CD1-CD1 3.81Å; F253-I257 HydrophobicContact CE1-CD1 3.39Å; F253-I257 HydrophobicContact CE1-CG1 4.42Å; F253-I257 HydrophobicContact CZ-CD1 3.85Å; F253-I257 WeakPolarHBondContact O-CG1 3.29Å; F253-I257 PolarHBondContact O-N 3.46Å
254	Q	93	Very high	88	Confident	120 Å²	120	62.7 Å²	62.7	56%	0.561	31%	0.309	S	S	*	.	H	α-helix	trans	-63	-40	176.7	-70.9	178.8	-6.2	0	0	112	T250 M256 I257 R258	T250-Q254 HydrophobicContact CG2-CG 4.45Å; T250-Q254 WeakPolarHBondContact O-CB 3.34Å; T250-Q254 WeakPolarHBondContact O-CG 3.47Å; T250-Q254 PolarHBondContact O-N 3.31Å; Q254-M256 VanDerWaalsContact C-N 3.34Å; Q254-I257 PolarHBondContact O-N 3.17Å; Q254-R258 WeakPolarHBondContact O-CB 3.31Å; Q254-R258 PolarHBondContact O-N 3.05Å
255	T	93.1	Very high	86.2	Confident	12 Å²	12	62.1 Å²	62.1	7%	0.074	30%	0.303	C	S	.	.	H	α-helix	trans	-64.3	-40.3	175	-62.2	0	0	0	0	111.4	E251 A252 F253 I257 R258 L259 L327 I336 I340	E251-T255 VanDerWaalsContact O-CB 3.27Å; E251-T255 WeakPolarHBondContact O-CB 3.46Å; E251-T255 PolarHBondContact O-N 3.26Å; E251-T255 PolarHBondContact O-OG1 3Å; A252-T255 PolarHBondContact O-N 3.11Å; F253-T255 VanDerWaalsContact C-N 3.33Å; F253-T255 PolarHBondContact O-N 3.28Å; T255-I257 PolarHBondContact O-N 3.47Å; T255-R258 WeakPolarHBondContact O-CB 3.23Å; T255-R258 PolarHBondContact O-N 3Å; T255-L259 HydrophobicContact CG2-CD1 3.9Å; T255-L259 HydrophobicContact CG2-CG 4.3Å; T255-L259 VanDerWaalsContact O-CG 3.28Å; T255-L259 WeakPolarHBondContact O-CG 3.45Å; T255-L259 PolarHBondContact O-N 3.4Å; T255-L327 HydrophobicContact CG2-CD1 4.45Å; T255-L327 HydrophobicContact CG2-CD2 3.58Å; T255-I336 HydrophobicContact CG2-CG2 3.76Å; T255-I340 HydrophobicContact CG2-CD1 3.89Å
256	M	91	Very high	84.3	Confident	1 Å²	1	70.8 Å²	70.8	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-59.2	-46	174.4	-168.1	-173.2	-60	0	0	111.6	F214 F216 Y232 A252 F253 Q254 R258 L259 G260 I340	F214-M256 HydrophobicContact CD1-CG 3.35Å; F214-M256 HydrophobicContact CD1-SD 4.32Å; F214-M256 HydrophobicContact CE1-CG 3.73Å; F214-M256 HydrophobicContact CG-CG 4.43Å; F216-M256 HydrophobicContact CD2-SD 3.62Å; F216-M256 HydrophobicContact CE2-SD 4.05Å; Y232-M256 HydrophobicContact CE2-CE 4.09Å; A252-M256 WeakPolarHBondContact O-CB 3.37Å; A252-M256 PolarHBondContact O-N 3.15Å; F253-M256 WeakPolarHBondContact O-CB 3.33Å; F253-M256 PolarHBondContact O-N 3.05Å; Q254-M256 VanDerWaalsContact C-N 3.34Å; M256-R258 PolarHBondContact O-N 3.33Å; M256-L259 PolarHBondContact O-N 2.95Å; M256-G260 PolarHBondContact O-N 2.94Å; M256-I340 HydrophobicContact CB-CD1 4.31Å; M256-I340 HydrophobicContact CB-CG1 4.26Å; M256-I340 HydrophobicContact CE-CB 4.31Å; M256-I340 HydrophobicContact CE-CG1 4.19Å; M256-I340 HydrophobicContact CE-CG2 4.06Å; M256-I340 HydrophobicContact CG-CG2 4.48Å
257	I	89.1	Confident	82.3	Confident	29 Å²	29	71.2 Å²	71.2	15%	0.149	35%	0.35	C	S	.	.	H	α-helix	trans	-61.4	-44.7	175.8	-67.3	169.1	0	0	0	110.8	F216 P218 M225 F253 Q254 T255 L259 G260 K261	F216-I257 HydrophobicContact CB-CG1 4.01Å; P218-I257 HydrophobicContact CB-CG2 4.25Å; P218-I257 WeakPolarHBondContact CD-O 3.43Å; M225-I257 HydrophobicContact CE-CD1 4.05Å; M225-I257 HydrophobicContact CE-CG1 4.42Å; M225-I257 HydrophobicContact CE-CG2 4.4Å; M225-I257 HydrophobicContact SD-CD1 3.59Å; M225-I257 VanDerWaalsContact SD-CD1 3.59Å; M225-I257 HydrophobicContact SD-CG1 4.31Å; F253-I257 HydrophobicContact CD1-CD1 3.81Å; F253-I257 HydrophobicContact CE1-CD1 3.39Å; F253-I257 HydrophobicContact CE1-CG1 4.42Å; F253-I257 HydrophobicContact CZ-CD1 3.85Å; F253-I257 WeakPolarHBondContact O-CG1 3.29Å; F253-I257 PolarHBondContact O-N 3.46Å; Q254-I257 PolarHBondContact O-N 3.17Å; T255-I257 PolarHBondContact O-N 3.47Å; I257-L259 PolarHBondContact O-N 3.33Å; I257-G260 WeakPolarHBondContact O-CA 3.42Å; I257-G260 PolarHBondContact O-N 2.86Å; I257-G260 VanDerWaalsContact O-N 3.12Å; I257-K261 PolarHBondContact O-N 3.07Å
258	R	88.5	Confident	80.4	Confident	132 Å²	132	71.6 Å²	71.6	50%	0.498	35%	0.354	S	S	.	.	H	α-helix	trans	-57.7	-49.5	178.2	-179.6	179.4	68.1	167.7	-0.4	111.4	Q254 T255 M256 G260 K261	Q254-R258 WeakPolarHBondContact O-CB 3.31Å; Q254-R258 PolarHBondContact O-N 3.05Å; T255-R258 WeakPolarHBondContact O-CB 3.23Å; T255-R258 PolarHBondContact O-N 3Å; M256-R258 PolarHBondContact O-N 3.33Å; R258-G260 PolarHBondContact O-N 2.86Å; R258-K261 PolarHBondContact O-N 3.02Å
259	L	87.9	Confident	78.7	Confident	4 Å²	4	72.6 Å²	72.6	2%	0.021	36%	0.362	C	S	.	.	H	α-helix	trans	-68.5	-22.6	178	-65.4	170.7	0	0	0	112.6	F214 T255 M256 I257 K261 E323 Y324 L327 I340	F214-L259 HydrophobicContact CE1-CB 4.13Å; F214-L259 HydrophobicContact CE2-CB 4.08Å; F214-L259 VanDerWaalsContact CE2-O 3.27Å; F214-L259 WeakPolarHBondContact CE2-O 3.31Å; F214-L259 HydrophobicContact CZ-CB 3.5Å; F214-L259 VanDerWaalsContact CZ-CB 3.5Å; T255-L259 HydrophobicContact CG2-CD1 3.9Å; T255-L259 HydrophobicContact CG2-CG 4.3Å; T255-L259 VanDerWaalsContact O-CG 3.28Å; T255-L259 WeakPolarHBondContact O-CG 3.45Å; T255-L259 PolarHBondContact O-N 3.4Å; M256-L259 PolarHBondContact O-N 2.95Å; I257-L259 PolarHBondContact O-N 3.33Å; L259-K261 VanDerWaalsContact C-N 3.3Å; L259-K261 PolarHBondContact O-N 3.48Å; L259-E323 HydrophobicContact CD2-CB 3.83Å; L259-Y324 HydrophobicContact CB-CE2 4.32Å; L259-Y324 HydrophobicContact CD1-CD2 4.29Å; L259-Y324 HydrophobicContact CD1-CE1 4.47Å; L259-Y324 HydrophobicContact CD1-CE2 3.73Å; L259-Y324 HydrophobicContact CD2-CD2 4.02Å; L259-Y324 HydrophobicContact CD2-CE2 3.94Å; L259-Y324 HydrophobicContact CG-CE2 4.22Å; L259-L327 HydrophobicContact CD1-CD2 4.2Å; L259-I340 HydrophobicContact CD1-CD1 4.32Å
260	G	81.7	Confident	77.3	Confident	3 Å²	3	77.1 Å²	77.1	3%	0.031	39%	0.389	C	S	.	.	H	α-helix	trans	-70.3	-20	177.2	0	0	0	0	0	114.9	H217 M256 I257 R258 R262	H217-G260 PolarHBondContact CD2-O 3.23Å; H217-G260 PolarHBondContact NE2-O 2.78Å; M256-G260 PolarHBondContact O-N 2.94Å; I257-G260 WeakPolarHBondContact O-CA 3.42Å; I257-G260 PolarHBondContact O-N 2.86Å; I257-G260 VanDerWaalsContact O-N 3.12Å; R258-G260 PolarHBondContact O-N 2.86Å; G260-R262 PolarHBondContact O-N 3.39Å; G260-R262 VanDerWaalsContact O-N 3.09Å
261	K	76.6	Confident	76.2	Confident	154 Å²	154	81.8 Å²	81.8	67%	0.67	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-53.8	116	-175.7	-168.1	177	-178.7	178.9	0	111.9	H217 P218 I257 R258 L259	H217-K261 WeakPolarHBondContact NE2-CA 3.33Å; P218-K261 HydrophobicContact CG-CB 4.04Å; P218-K261 HydrophobicContact CG-CG 4.1Å; I257-K261 PolarHBondContact O-N 3.07Å; R258-K261 PolarHBondContact O-N 3.02Å; L259-K261 VanDerWaalsContact C-N 3.3Å; L259-K261 PolarHBondContact O-N 3.48Å
262	R	68.2	Low	75.5	Confident	155 Å²	155	84.6 Å²	84.6	59%	0.585	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-77.4	135	178.5	-74.4	170.2	-176.2	-171.3	3.6	108.6	H217 G260	H217-R262 VanDerWaalsContact NE2-CB 3.31Å; H217-R262 WeakPolarHBondContact NE2-CB 3.26Å; H217-R262 VanDerWaalsContact NE2-CG 3.3Å; H217-R262 WeakPolarHBondContact NE2-CG 3.23Å; H217-R262 PolarHBondContact NE2-N 3.49Å; G260-R262 PolarHBondContact O-N 3.39Å; G260-R262 VanDerWaalsContact O-N 3.09Å
263	S	64.1	Low	75	Confident	53 Å²	53	90.1 Å²	90.1	37%	0.371	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-85.9	133.3	154.4	50.7	0	0	0	0	107.7	P265	S263-P265 WeakPolarHBondContact O-CD 3.31Å
264	I	59.1	Low	74.8	Confident	154 Å²	154	91 Å²	91	79%	0.79	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-63.3	121.9	170.3	-60	170.1	0	0	0	106.6	K266	I264-K266 PolarHBondContact O-N 3.37Å; I264-K266 VanDerWaalsContact O-N 3.14Å
265	P	57.4	Low	74.6	Confident	77 Å²	77	89.1 Å²	89.1	50%	0.5	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-59.5	121.2	175.9	-19.5	30.7	0	0	0	109.2	S263 T267	S263-P265 WeakPolarHBondContact O-CD 3.31Å; P265-T267 VanDerWaalsContact C-N 3.26Å
266	K	54.6	Low	74.4	Confident	210 Å²	210	92.9 Å²	92.9	91%	0.913	46%	0.46	S	S	*	.	S	Bend	trans	-78.3	-13.5	175.3	-69.5	-173.5	178.8	-179	0	112.7	I264	I264-K266 PolarHBondContact O-N 3.37Å; I264-K266 VanDerWaalsContact O-N 3.14Å
267	T	54.4	Low	74.5	Confident	106 Å²	106	99.1 Å²	99.1	65%	0.65	49%	0.494	S	S	*	.	S	Bend	trans	-130.4	144.6	-173.4	48.8	0	0	0	0	111.2	P265	P265-T267 VanDerWaalsContact C-N 3.26Å
268	P	55.6	Low	74.7	Confident	112 Å²	112	101.1 Å²	101.1	73%	0.727	50%	0.502	S	S	*	.			trans	-59.5	146.6	173	22.7	-30.3	0	0	0	111.3	V270	P268-V270 PolarHBondContact O-N 3.2Å
269	N	61	Low	74.9	Confident	90 Å²	90	94.9 Å²	94.9	48%	0.481	48%	0.479	S	S	.	.			trans	-64.6	94.1	173.3	-95.3	-7.5	0	0	0	109.4	R313	N269-R313 WeakPolarHBondContact OD1-CG 3.48Å
270	V	65.6	Low	75.3	Confident	94 Å²	94	99.7 Å²	99.7	57%	0.57	50%	0.501	S	S	*	.			trans	-84.3	127.1	165.9	-171.8	0	0	0	0	107.8	P268 E272	P268-V270 PolarHBondContact O-N 3.2Å; V270-E272 VanDerWaalsContact C-N 3.32Å; V270-E272 HydrophobicContact CB-CG 4.21Å; V270-E272 HydrophobicContact CG1-CG 3.68Å; V270-E272 PolarHBondContact O-N 3.38Å
271	R	73.2	Confident	76	Confident	131 Å²	131	102.9 Å²	102.9	49%	0.494	52%	0.523	S	S	.	.			trans	-78.2	83	173.5	-73.5	-174.3	-176.5	177.1	2.8	109.2	D203 I310	D203-R271 IonicContact OD1-NH1 3.49Å; D203-R271 PolarHBondContact OD1-NH1 3.06Å; D203-R271 IonicContact OD2-NH1 3.48Å; D203-R271 PolarHBondContact OD2-NH1 3.47Å; R271-I310 HydrophobicContact CB-CD1 4.08Å; R271-I310 HydrophobicContact CB-CG2 4.48Å; R271-I310 HydrophobicContact CG-CD1 4.41Å
272	E	82.2	Confident	76.8	Confident	138 Å²	138	95.7 Å²	95.7	65%	0.645	49%	0.492	S	S	*	.			trans	-91.6	133.6	174.1	-64	-174.9	179.9	0	0	110.5	V270	V270-E272 VanDerWaalsContact C-N 3.32Å; V270-E272 HydrophobicContact CB-CG 4.21Å; V270-E272 HydrophobicContact CG1-CG 3.68Å; V270-E272 PolarHBondContact O-N 3.38Å
273	L	85.6	Confident	78.2	Confident	116 Å²	116	88.3 Å²	88.3	61%	0.607	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	131.4	172.4	-65.7	-178.8	0	0	0	109	P308 I309 I310	L273-P308 HydrophobicContact CD1-CB 4.5Å; L273-P308 HydrophobicContact CD2-CB 3.56Å; L273-I309 WeakPolarHBondContact CA-O 3.49Å; L273-I310 HydrophobicContact CD2-CD1 4.29Å; L273-I310 HydrophobicContact CD2-CG1 3.92Å
274	T	88.8	Confident	79.6	Confident	21 Å²	21	88.3 Å²	88.3	13%	0.129	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	161.2	179.6	-173.3	0	0	0	0	111.5	E278 I309 I311	T274-E278 WeakPolarHBondContact OG1-CB 2.99Å; T274-E278 VanDerWaalsContact OG1-CG 3.32Å; T274-E278 WeakPolarHBondContact OG1-CG 3.24Å; T274-E278 PolarHBondContact OG1-OE2 2.61Å; T274-I309 HydrophobicContact CG2-CB 3.76Å; T274-I309 HydrophobicContact CG2-CG2 3.55Å; T274-I309 VanDerWaalsContact CG2-O 3.23Å; T274-I309 WeakPolarHBondContact CG2-O 3.44Å; T274-I309 PolarHBondContact N-O 2.94Å; T274-I311 HydrophobicContact CG2-CD1 3.79Å; T274-I311 HydrophobicContact CG2-CG1 3.7Å
275	T	88.7	Confident	81.2	Confident	80 Å²	80	82.5 Å²	82.5	49%	0.491	43%	0.432	S	S	.	.			trans	-88.8	156.6	172.9	70	0	0	0	0	111	N277 E278 L279	T275-N277 PolarHBondContact O-N 3.14Å; T275-E278 PolarHBondContact O-N 2.95Å; T275-E278 VanDerWaalsContact O-N 3.15Å; T275-E278 VanDerWaalsContact OG1-CB 3.31Å; T275-E278 WeakPolarHBondContact OG1-CB 3.46Å; T275-E278 PolarHBondContact OG1-N 3.35Å; T275-E278 VanDerWaalsContact OG1-N 3.08Å; T275-L279 PolarHBondContact O-N 3.34Å
276	R	89.6	Confident	83	Confident	90 Å²	90	78.9 Å²	78.9	34%	0.34	41%	0.409	S	S	.	.	H	α-helix	trans	-59.6	-34.5	173	-69.1	-175	175.1	-73.5	-10.8	112.5	L279 H280 Q305 I309	R276-L279 PolarHBondContact O-N 2.9Å; R276-H280 WeakPolarHBondContact O-CB 3.49Å; R276-H280 PolarHBondContact O-N 3Å; R276-Q305 VanDerWaalsContact NH2-C 3.34Å; R276-Q305 PolarHBondContact NH2-O 3.02Å; R276-I309 HydrophobicContact CG-CD1 3.99Å
277	N	92.3	Very high	84.9	Confident	133 Å²	133	72.3 Å²	72.3	71%	0.711	38%	0.384	S	S	*	.	H	α-helix	trans	-65.1	-42.4	176.4	-68.5	-9.7	0	0	0	111.1	T275 H280 S281	T275-N277 PolarHBondContact O-N 3.14Å; N277-H280 PolarHBondContact O-N 2.78Å; N277-S281 WeakPolarHBondContact O-CB 3.42Å; N277-S281 PolarHBondContact O-N 3.1Å
278	E	92.9	Very high	86.8	Confident	70 Å²	70	67.8 Å²	67.8	33%	0.327	36%	0.355	S	S	.	.	H	α-helix	trans	-67.1	-40.8	177.1	-179.5	176.4	-161.6	0	0	111.9	T274 T275 H280 S281 T282 Q314	T274-E278 WeakPolarHBondContact OG1-CB 2.99Å; T274-E278 VanDerWaalsContact OG1-CG 3.32Å; T274-E278 WeakPolarHBondContact OG1-CG 3.24Å; T274-E278 PolarHBondContact OG1-OE2 2.61Å; T275-E278 PolarHBondContact O-N 2.95Å; T275-E278 VanDerWaalsContact O-N 3.15Å; T275-E278 VanDerWaalsContact OG1-CB 3.31Å; T275-E278 WeakPolarHBondContact OG1-CB 3.46Å; T275-E278 PolarHBondContact OG1-N 3.35Å; T275-E278 VanDerWaalsContact OG1-N 3.08Å; E278-H280 PolarHBondContact O-N 3.44Å; E278-S281 WeakPolarHBondContact CA-OG 3.23Å; E278-S281 PolarHBondContact O-N 3.48Å; E278-S281 PolarHBondContact O-OG 3.45Å; E278-T282 WeakPolarHBondContact O-CB 3.36Å; E278-T282 PolarHBondContact O-N 3.13Å; E278-T282 PolarHBondContact O-OG1 2.75Å; E278-Q314 VanDerWaalsContact CG-NE2 3.27Å; E278-Q314 PolarHBondContact OE1-NE2 3.45Å; E278-Q314 PolarHBondContact OE1-OE1 3.3Å
279	L	94.5	Very high	88.6	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.01	35%	0.347	C	S	.	.	H	α-helix	trans	-57.1	-49	171.3	178.4	66.4	0	0	0	111.7	I209 T275 R276 S281 T282 C283 W288 I309 I311	I209-L279 HydrophobicContact CB-CD1 4.49Å; I209-L279 HydrophobicContact CG1-CD1 4.08Å; I209-L279 HydrophobicContact CG2-CD1 4.45Å; T275-L279 PolarHBondContact O-N 3.34Å; R276-L279 PolarHBondContact O-N 2.9Å; L279-S281 PolarHBondContact O-N 3.49Å; L279-T282 WeakPolarHBondContact O-CB 3.37Å; L279-T282 PolarHBondContact O-N 3.29Å; L279-C283 PolarHBondContact O-N 2.72Å; L279-W288 HydrophobicContact CD1-CD2 3.85Å; L279-W288 HydrophobicContact CD1-CE3 4.14Å; L279-W288 HydrophobicContact CD1-CG 4.43Å; L279-W288 HydrophobicContact CD1-CH2 4.08Å; L279-W288 HydrophobicContact CD1-CZ2 3.77Å; L279-W288 HydrophobicContact CD1-CZ3 4.25Å; L279-W288 HydrophobicContact CD2-CB 3.79Å; L279-W288 HydrophobicContact CD2-CD2 3.57Å; L279-W288 HydrophobicContact CD2-CE3 3.83Å; L279-W288 HydrophobicContact CD2-CG 3.56Å; L279-W288 HydrophobicContact CG-CB 4.36Å; L279-W288 HydrophobicContact CG-CD2 3.59Å; L279-W288 HydrophobicContact CG-CE3 4.18Å; L279-W288 HydrophobicContact CG-CG 3.65Å; L279-W288 HydrophobicContact CG-CZ2 4.33Å; L279-W288 PolarHBondContact O-NE1 2.81Å; L279-I309 HydrophobicContact CD2-CD1 3.86Å; L279-I309 HydrophobicContact CD2-CG2 4.18Å; L279-I311 HydrophobicContact CB-CD1 4.13Å; L279-I311 HydrophobicContact CD1-CD1 3.72Å; L279-I311 HydrophobicContact CD1-CG1 3.86Å
280	H	95.5	Very high	90.1	Very high	104 Å²	104	63.9 Å²	63.9	48%	0.481	33%	0.333	S	S	.	.	H	α-helix	trans	-60.8	-43.8	176.7	-176.8	65.1	0	0	0	112	R276 N277 E278 T282 C283 P284	R276-H280 WeakPolarHBondContact O-CB 3.49Å; R276-H280 PolarHBondContact O-N 3Å; N277-H280 PolarHBondContact O-N 2.78Å; E278-H280 PolarHBondContact O-N 3.44Å; H280-T282 PolarHBondContact O-N 3.06Å; H280-C283 CarbonylContact O-C 3.56Å; H280-C283 VanDerWaalsContact O-C 3.25Å; H280-C283 PolarHBondContact O-N 3.28Å; H280-P284 VanDerWaalsContact O-CA 3.26Å; H280-P284 WeakPolarHBondContact O-CA 3.43Å; H280-P284 VanDerWaalsContact O-N 3.09Å
281	S	95.5	Very high	91.5	Very high	71 Å²	71	59.5 Å²	59.5	50%	0.497	31%	0.306	S	S	.	.	H	α-helix	trans	-64.7	-28.5	177.4	77	0	0	0	0	113.5	N277 E278 L279	N277-S281 WeakPolarHBondContact O-CB 3.42Å; N277-S281 PolarHBondContact O-N 3.1Å; E278-S281 WeakPolarHBondContact CA-OG 3.23Å; E278-S281 PolarHBondContact O-N 3.48Å; E278-S281 PolarHBondContact O-OG 3.45Å; L279-S281 PolarHBondContact O-N 3.49Å
282	T	94.8	Very high	92.5	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.012	28%	0.283	C	S	.	.	H	α-helix	trans	-71.6	-36.5	-179.8	-61.5	0	0	0	0	111.1	E278 L279 H280 Q314 L317 R318	E278-T282 WeakPolarHBondContact O-CB 3.36Å; E278-T282 PolarHBondContact O-N 3.13Å; E278-T282 PolarHBondContact O-OG1 2.75Å; L279-T282 WeakPolarHBondContact O-CB 3.37Å; L279-T282 PolarHBondContact O-N 3.29Å; H280-T282 PolarHBondContact O-N 3.06Å; T282-Q314 HydrophobicContact CG2-CG 3.69Å; T282-Q314 PolarHBondContact OG1-NE2 2.97Å; T282-L317 HydrophobicContact CG2-CB 4.28Å; T282-L317 HydrophobicContact CG2-CD2 4.02Å; T282-L317 HydrophobicContact CG2-CG 4.11Å; T282-R318 HydrophobicContact CG2-CB 4.11Å; T282-R318 WeakPolarHBondContact O-CA 3.35Å
283	C	96	Very high	93	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.265	C	S	.	.			trans	-150.2	81.6	-178.4	-169.9	0	0	0	0	109.8	L279 H280 E285 I286 W288 C321	L279-C283 PolarHBondContact O-N 2.72Å; H280-C283 CarbonylContact O-C 3.56Å; H280-C283 VanDerWaalsContact O-C 3.25Å; H280-C283 PolarHBondContact O-N 3.28Å; C283-E285 PolarHBondContact O-N 3.42Å; C283-I286 PolarHBondContact O-N 3.24Å; C283-I286 VanDerWaalsContact SG-CG1 3.59Å; C283-W288 HydrophobicContact CB-CZ2 3.73Å; C283-W288 PolarHBondContact O-NE1 3.4Å; C283-C321 HydrophobicContact CB-CB 3.72Å; C283-C321 WeakPolarHBondContact CB-SG 3.12Å; C283-C321 WeakPolarHBondContact SG-CB 3.2Å; C283-C321 CovalentContact SG-SG 2.02Å; C283-C321 PolarHBondContact SG-SG 3.35Å
284	P	95	Very high	93.4	Very high	53 Å²	53	46.7 Å²	46.7	34%	0.344	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-9.1	-173.8	30.4	-37.1	0	0	0	113.6	H280 I286	H280-P284 VanDerWaalsContact O-CA 3.26Å; H280-P284 WeakPolarHBondContact O-CA 3.43Å; H280-P284 VanDerWaalsContact O-N 3.09Å; P284-I286 PolarHBondContact O-N 3.11Å
285	E	92.1	Very high	93.7	Very high	32 Å²	32	45.7 Å²	45.7	15%	0.15	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.2	174.4	-61.4	60	-133.5	0	0	112.4	L179 C283 C321 R325	L179-E285 HydrophobicContact CD1-CB 3.74Å; L179-E285 HydrophobicContact CD1-CG 4.07Å; L179-E285 HydrophobicContact CG-CB 4.41Å; C283-E285 PolarHBondContact O-N 3.42Å; E285-C321 WeakPolarHBondContact OE2-CB 3.08Å; E285-R325 HydrophobicContact CG-CB 4.09Å; E285-R325 IonicContact OE1-CZ 4Å; E285-R325 IonicContact OE1-NE 2.95Å; E285-R325 PolarHBondContact OE1-NE 3.49Å; E285-R325 IonicContact OE1-NH2 3.5Å; E285-R325 PolarHBondContact OE1-NH2 2.96Å; E285-R325 IonicContact OE2-NH2 3.28Å
286	I	95.3	Very high	93.9	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	22%	0.218	C	C	.	.	S	Bend	trans	-109.2	123.7	-175.3	-58.3	-59.1	0	0	0	109.6	L179 T180 L195 F196 C283 P284 W288 V291	L179-I286 HydrophobicContact CB-CD1 3.71Å; T180-I286 WeakPolarHBondContact OG1-CA 3.38Å; L195-I286 HydrophobicContact CD2-CD1 3.78Å; L195-I286 HydrophobicContact CD2-CG1 3.97Å; F196-I286 HydrophobicContact CE1-CD1 3.86Å; F196-I286 HydrophobicContact CE1-CG1 3.86Å; F196-I286 HydrophobicContact CE1-CG2 4.07Å; F196-I286 HydrophobicContact CZ-CG2 4.01Å; C283-I286 PolarHBondContact O-N 3.24Å; C283-I286 VanDerWaalsContact SG-CG1 3.59Å; P284-I286 PolarHBondContact O-N 3.11Å; I286-W288 VanDerWaalsContact C-N 3.26Å; I286-W288 HydrophobicContact CB-CD2 4.24Å; I286-W288 HydrophobicContact CB-CZ2 4.09Å; I286-W288 HydrophobicContact CG1-CZ2 4.46Å; I286-W288 HydrophobicContact CG2-CD2 3.73Å; I286-W288 HydrophobicContact CG2-CE3 3.91Å; I286-W288 HydrophobicContact CG2-CG 4.2Å; I286-W288 HydrophobicContact CG2-CH2 4.3Å; I286-W288 HydrophobicContact CG2-CZ2 4.14Å; I286-W288 HydrophobicContact CG2-CZ3 4.18Å; I286-W288 PolarHBondContact O-N 3.07Å; I286-V291 HydrophobicContact CG2-CG2 3.82Å
287	D	94.7	Very high	94	Very high	72 Å²	72	42.9 Å²	42.9	39%	0.385	23%	0.227	S	C	.	.			trans	-75.9	85.5	165.3	-177.8	-11.3	0	0	0	108.4	T180 S289 H290 V291	T180-D287 HydrophobicContact CG2-CB 4.21Å; T180-D287 PolarHBondContact OG1-N 2.97Å; D287-S289 PolarHBondContact O-N 3.16Å; D287-S289 PolarHBondContact OD1-N 3.25Å; D287-H290 HydrophobicContact CB-CB 3.98Å; D287-H290 PolarHBondContact O-N 3.45Å; D287-H290 PolarHBondContact OD1-N 3.36Å; D287-H290 WeakPolarHBondContact OD2-CB 3.06Å; D287-V291 WeakPolarHBondContact O-CG2 3.32Å; D287-V291 PolarHBondContact O-N 3.08Å
288	W	94.4	Very high	93.9	Very high	11 Å²	11	38 Å²	38	4%	0.042	20%	0.2	C	C	.	.	H	α-helix	trans	-59.1	-33.8	-178.7	-68.1	105.4	0	0	0	113	F196 I209 L279 C283 I286 L292	F196-W288 HydrophobicContact CD1-CH2 4.09Å; F196-W288 AromaticContact CD2-CH2 3.87Å; F196-W288 HydrophobicContact CD2-CH2 3.87Å; F196-W288 AromaticContact CD2-CZ3 3.81Å; F196-W288 HydrophobicContact CD2-CZ3 3.81Å; F196-W288 HydrophobicContact CE1-CH2 4.2Å; F196-W288 HydrophobicContact CE1-CZ3 4.4Å; F196-W288 AromaticContact CE2-CH2 3.97Å; F196-W288 HydrophobicContact CE2-CH2 3.97Å; F196-W288 AromaticContact CE2-CZ3 3.56Å; F196-W288 HydrophobicContact CE2-CZ3 3.56Å; F196-W288 AromaticContact CG-CH2 3.93Å; F196-W288 HydrophobicContact CG-CH2 3.93Å; F196-W288 HydrophobicContact CG-CZ3 4.33Å; F196-W288 HydrophobicContact CZ-CH2 4.13Å; F196-W288 AromaticContact CZ-CZ3 3.87Å; F196-W288 HydrophobicContact CZ-CZ3 3.87Å; I209-W288 HydrophobicContact CD1-CZ3 3.93Å; I209-W288 HydrophobicContact CG1-CZ3 4.26Å; I209-W288 HydrophobicContact CG2-CH2 3.66Å; I209-W288 HydrophobicContact CG2-CZ3 3.93Å; L279-W288 HydrophobicContact CD1-CD2 3.85Å; L279-W288 HydrophobicContact CD1-CE3 4.14Å; L279-W288 HydrophobicContact CD1-CG 4.43Å; L279-W288 HydrophobicContact CD1-CH2 4.08Å; L279-W288 HydrophobicContact CD1-CZ2 3.77Å; L279-W288 HydrophobicContact CD1-CZ3 4.25Å; L279-W288 HydrophobicContact CD2-CB 3.79Å; L279-W288 HydrophobicContact CD2-CD2 3.57Å; L279-W288 HydrophobicContact CD2-CE3 3.83Å; L279-W288 HydrophobicContact CD2-CG 3.56Å; L279-W288 HydrophobicContact CG-CB 4.36Å; L279-W288 HydrophobicContact CG-CD2 3.59Å; L279-W288 HydrophobicContact CG-CE3 4.18Å; L279-W288 HydrophobicContact CG-CG 3.65Å; L279-W288 HydrophobicContact CG-CZ2 4.33Å; L279-W288 PolarHBondContact O-NE1 2.81Å; C283-W288 HydrophobicContact CB-CZ2 3.73Å; C283-W288 PolarHBondContact O-NE1 3.4Å; I286-W288 VanDerWaalsContact C-N 3.26Å; I286-W288 HydrophobicContact CB-CD2 4.24Å; I286-W288 HydrophobicContact CB-CZ2 4.09Å; I286-W288 HydrophobicContact CG1-CZ2 4.46Å; I286-W288 HydrophobicContact CG2-CD2 3.73Å; I286-W288 HydrophobicContact CG2-CE3 3.91Å; I286-W288 HydrophobicContact CG2-CG 4.2Å; I286-W288 HydrophobicContact CG2-CH2 4.3Å; I286-W288 HydrophobicContact CG2-CZ2 4.14Å; I286-W288 HydrophobicContact CG2-CZ3 4.18Å; I286-W288 PolarHBondContact O-N 3.07Å; W288-L292 VanDerWaalsContact O-CB 3.26Å; W288-L292 WeakPolarHBondContact O-CB 3.37Å; W288-L292 WeakPolarHBondContact O-CG 3.24Å; W288-L292 PolarHBondContact O-N 3.4Å
289	S	92.5	Very high	93.7	Very high	79 Å²	79	35 Å²	35	55%	0.552	19%	0.186	S	C	*	.	H	α-helix	trans	-64.3	-47.3	177.1	-66.3	0	0	0	0	110.2	D287 E293	D287-S289 PolarHBondContact O-N 3.16Å; D287-S289 PolarHBondContact OD1-N 3.25Å; S289-E293 VanDerWaalsContact O-CB 3.29Å; S289-E293 WeakPolarHBondContact O-CB 3.37Å; S289-E293 PolarHBondContact O-N 3.22Å
290	H	93.2	Very high	93.3	Very high	41 Å²	41	37.6 Å²	37.6	19%	0.19	21%	0.213	C	C	.	.	H	α-helix	trans	-64.1	-45.3	177.2	-171	72.9	0	0	0	112.7	D287 E293 K294	D287-H290 HydrophobicContact CB-CB 3.98Å; D287-H290 PolarHBondContact O-N 3.45Å; D287-H290 PolarHBondContact OD1-N 3.36Å; D287-H290 WeakPolarHBondContact OD2-CB 3.06Å; H290-E293 PolarHBondContact O-N 3.15Å; H290-K294 VanDerWaalsContact CE1-CE 3.42Å; H290-K294 WeakPolarHBondContact CE1-CE 3.33Å; H290-K294 WeakPolarHBondContact O-CB 3.37Å; H290-K294 VanDerWaalsContact O-CG 3.29Å; H290-K294 WeakPolarHBondContact O-CG 3.08Å; H290-K294 PolarHBondContact O-N 3.36Å
291	V	94.6	Very high	92.9	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-60.9	-50.5	178.5	174.7	0	0	0	0	111	T180 L187 F196 I198 I286 D287 E293 K294 V295	T180-V291 HydrophobicContact CG2-CG2 3.66Å; L187-V291 HydrophobicContact CD1-CG1 3.82Å; F196-V291 HydrophobicContact CE2-CG1 4.18Å; F196-V291 HydrophobicContact CZ-CG1 4.13Å; F196-V291 HydrophobicContact CZ-CG2 4.41Å; I198-V291 HydrophobicContact CD1-CG1 3.36Å; I286-V291 HydrophobicContact CG2-CG2 3.82Å; D287-V291 WeakPolarHBondContact O-CG2 3.32Å; D287-V291 PolarHBondContact O-N 3.08Å; V291-E293 VanDerWaalsContact C-N 3.35Å; V291-E293 PolarHBondContact O-N 3.24Å; V291-K294 PolarHBondContact O-N 3.44Å; V291-V295 HydrophobicContact CG1-CG2 4.24Å; V291-V295 WeakPolarHBondContact O-CB 3.43Å; V291-V295 WeakPolarHBondContact O-CG2 3.14Å; V291-V295 PolarHBondContact O-N 3.5Å
292	L	94.2	Very high	92.4	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-64.7	-40.2	-178	-68	174.8	0	0	0	111.6	I198 V207 W288 L296 I309	I198-L292 HydrophobicContact CD1-CD2 4.25Å; V207-L292 HydrophobicContact CG1-CD2 3.76Å; V207-L292 HydrophobicContact CG2-CD2 4.47Å; W288-L292 VanDerWaalsContact O-CB 3.26Å; W288-L292 WeakPolarHBondContact O-CB 3.37Å; W288-L292 WeakPolarHBondContact O-CG 3.24Å; W288-L292 PolarHBondContact O-N 3.4Å; L292-L296 HydrophobicContact CB-CD1 4.5Å; L292-L296 HydrophobicContact CD2-CD1 4.44Å; L292-L296 WeakPolarHBondContact O-CB 3.45Å; L292-L296 VanDerWaalsContact O-CG 3.28Å; L292-L296 WeakPolarHBondContact O-CG 3.25Å; L292-L296 PolarHBondContact O-N 2.64Å; L292-I309 HydrophobicContact CD1-CD1 4.12Å
293	E	93.1	Very high	91.9	Very high	56 Å²	56	44.7 Å²	44.7	26%	0.262	24%	0.239	S	C	.	.	H	α-helix	trans	-56.2	-57.7	171.2	177.6	-163	144.2	0	0	110.2	S289 H290 V291 V295 L296 Q297 Y304	S289-E293 VanDerWaalsContact O-CB 3.29Å; S289-E293 WeakPolarHBondContact O-CB 3.37Å; S289-E293 PolarHBondContact O-N 3.22Å; H290-E293 PolarHBondContact O-N 3.15Å; V291-E293 VanDerWaalsContact C-N 3.35Å; V291-E293 PolarHBondContact O-N 3.24Å; E293-V295 VanDerWaalsContact C-N 3.34Å; E293-V295 PolarHBondContact O-N 3.41Å; E293-L296 PolarHBondContact O-N 3.16Å; E293-Q297 WeakPolarHBondContact O-CA 3.37Å; E293-Q297 WeakPolarHBondContact O-CB 3.32Å; E293-Q297 PolarHBondContact O-N 3.44Å; E293-Y304 HydrophobicContact CB-CE2 4.02Å; E293-Y304 WeakPolarHBondContact CG-OH 3.08Å
294	K	93.5	Very high	91.4	Very high	57 Å²	57	46.5 Å²	46.5	25%	0.248	25%	0.246	C	C	.	.	H	α-helix	trans	-68.6	-30.2	-171.1	-67.1	-58.8	177.1	-145.8	0	114.1	L184 H290 V291 Q298	L184-K294 HydrophobicContact CD1-CB 3.73Å; L184-K294 HydrophobicContact CD2-CB 3.99Å; L184-K294 HydrophobicContact CD2-CG 4Å; L184-K294 HydrophobicContact CG-CB 4.41Å; H290-K294 VanDerWaalsContact CE1-CE 3.42Å; H290-K294 WeakPolarHBondContact CE1-CE 3.33Å; H290-K294 WeakPolarHBondContact O-CB 3.37Å; H290-K294 VanDerWaalsContact O-CG 3.29Å; H290-K294 WeakPolarHBondContact O-CG 3.08Å; H290-K294 PolarHBondContact O-N 3.36Å; V291-K294 PolarHBondContact O-N 3.44Å; K294-Q298 WeakPolarHBondContact O-CG 3.38Å
295	V	95.1	Very high	90.9	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-76.3	-47.6	175	172.9	0	0	0	0	110.7	L184 L187 R188 I198 V291 E293 Q298 Y485 L489	L184-V295 HydrophobicContact CD1-CG2 4.39Å; L187-V295 HydrophobicContact CB-CG2 4Å; R188-V295 HydrophobicContact CG-CG2 4.26Å; I198-V295 HydrophobicContact CD1-CG2 4.26Å; I198-V295 HydrophobicContact CG2-CG1 4.49Å; V291-V295 HydrophobicContact CG1-CG2 4.24Å; V291-V295 WeakPolarHBondContact O-CB 3.43Å; V291-V295 WeakPolarHBondContact O-CG2 3.14Å; V291-V295 PolarHBondContact O-N 3.5Å; E293-V295 VanDerWaalsContact C-N 3.34Å; E293-V295 PolarHBondContact O-N 3.41Å; V295-Q298 PolarHBondContact O-OE1 3.04Å; V295-Y485 HydrophobicContact CG1-CE1 4.38Å; V295-Y485 WeakPolarHBondContact CG1-OH 3.37Å; V295-L489 HydrophobicContact CG1-CD1 4.06Å
296	L	93.6	Very high	90.7	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-83.6	-25.4	-172.5	-58	174.6	0	0	0	113	I200 V207 L292 E293 Q298 T299 Y304 L307 L493	I200-L296 HydrophobicContact CD1-CD2 3.98Å; V207-L296 HydrophobicContact CG2-CD1 4.11Å; L292-L296 HydrophobicContact CB-CD1 4.5Å; L292-L296 HydrophobicContact CD2-CD1 4.44Å; L292-L296 WeakPolarHBondContact O-CB 3.45Å; L292-L296 VanDerWaalsContact O-CG 3.28Å; L292-L296 WeakPolarHBondContact O-CG 3.25Å; L292-L296 PolarHBondContact O-N 2.64Å; E293-L296 PolarHBondContact O-N 3.16Å; L296-Q298 PolarHBondContact O-N 3.12Å; L296-T299 WeakPolarHBondContact O-CB 3.36Å; L296-T299 PolarHBondContact O-N 3.44Å; L296-T299 PolarHBondContact O-OG1 3.29Å; L296-Y304 HydrophobicContact CB-CG 4.19Å; L296-Y304 HydrophobicContact CD1-CD2 4.43Å; L296-Y304 HydrophobicContact CD1-CG 4.42Å; L296-L307 HydrophobicContact CD1-CD1 4.04Å; L296-L493 HydrophobicContact CD2-CD1 4.26Å
297	Q	91	Very high	90.6	Very high	110 Å²	110	57.2 Å²	57.2	51%	0.514	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-58.7	-31.1	174	-177.3	-179.5	26.3	0	0	112.1	E293 T299 G300	E293-Q297 WeakPolarHBondContact O-CA 3.37Å; E293-Q297 WeakPolarHBondContact O-CB 3.32Å; E293-Q297 PolarHBondContact O-N 3.44Å; Q297-T299 PolarHBondContact O-N 3.36Å; Q297-T299 VanDerWaalsContact O-N 3.09Å; Q297-G300 PolarHBondContact O-N 3.48Å
298	Q	89.4	Confident	90.5	Very high	32 Å²	32	56.4 Å²	56.4	15%	0.15	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-60.6	-21	176.8	-59.9	178.6	-84.6	0	0	112.9	R188 K294 V295 L296 R482 V486	R188-Q298 PolarHBondContact O-NE2 2.9Å; R188-Q298 PolarHBondContact O-OE1 2.81Å; K294-Q298 WeakPolarHBondContact O-CG 3.38Å; V295-Q298 PolarHBondContact O-OE1 3.04Å; L296-Q298 PolarHBondContact O-N 3.12Å; Q298-R482 VanDerWaalsContact NE2-CZ 3.26Å; Q298-V486 HydrophobicContact CB-CG1 4.38Å; Q298-V486 HydrophobicContact CB-CG2 3.99Å; Q298-V486 WeakPolarHBondContact O-CG1 3.38Å
299	T	89.4	Confident	90.5	Very high	5 Å²	5	56 Å²	56	3%	0.031	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-86.7	-14.5	-179.6	73.6	0	0	0	0	113.1	L296 Q297 Y301 L489 K490 L493	L296-T299 WeakPolarHBondContact O-CB 3.36Å; L296-T299 PolarHBondContact O-N 3.44Å; L296-T299 PolarHBondContact O-OG1 3.29Å; Q297-T299 PolarHBondContact O-N 3.36Å; Q297-T299 VanDerWaalsContact O-N 3.09Å; T299-Y301 PolarHBondContact O-N 3.31Å; T299-Y301 WeakPolarHBondContact OG1-CB 3.49Å; T299-Y301 PolarHBondContact OG1-N 2.98Å; T299-Y301 VanDerWaalsContact OG1-N 3.11Å; T299-L489 HydrophobicContact CG2-CB 3.47Å; T299-L489 VanDerWaalsContact CG2-CB 3.47Å; T299-L489 HydrophobicContact CG2-CD1 3.9Å; T299-L489 HydrophobicContact CG2-CG 4.39Å; T299-K490 HydrophobicContact CG2-CG 4.41Å; T299-L493 HydrophobicContact CG2-CD1 3.96Å
300	G	87.4	Confident	90.6	Very high	57 Å²	57	52.3 Å²	52.3	59%	0.588	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	3.6	-168.8	0	0	0	0	0	114.4	Q297 V302	Q297-G300 PolarHBondContact O-N 3.48Å; G300-V302 PolarHBondContact O-N 3.3Å
301	Y	86.6	Confident	90.6	Very high	36 Å²	36	51.1 Å²	51.1	14%	0.141	26%	0.256	C	S	.	.			trans	-73.1	107.7	-179	-171	-98.3	0	0	0	111.9	T299 R303 Y304 L307 L493	T299-Y301 PolarHBondContact O-N 3.31Å; T299-Y301 WeakPolarHBondContact OG1-CB 3.49Å; T299-Y301 PolarHBondContact OG1-N 2.98Å; T299-Y301 VanDerWaalsContact OG1-N 3.11Å; Y301-R303 HydrophobicContact CE1-CB 3.96Å; Y301-Y304 VanDerWaalsContact CD1-N 3.34Å; Y301-Y304 WeakPolarHBondContact O-CD1 3.23Å; Y301-L307 HydrophobicContact CD1-CD1 4.29Å; Y301-L307 HydrophobicContact CE1-CD1 3.95Å; Y301-L307 HydrophobicContact CE1-CD2 3.84Å; Y301-L307 HydrophobicContact CE1-CG 3.92Å; Y301-L493 HydrophobicContact CD1-CD2 4.35Å; Y301-L493 HydrophobicContact CD2-CB 3.83Å; Y301-L493 HydrophobicContact CD2-CD2 4.48Å; Y301-L493 HydrophobicContact CE1-CD2 4.42Å; Y301-L493 HydrophobicContact CE2-CB 4.22Å; Y301-L493 HydrophobicContact CG-CB 4.25Å; Y301-L493 HydrophobicContact CG-CD1 4.1Å; Y301-L493 HydrophobicContact CG-CD2 4.39Å; Y301-L493 HydrophobicContact CG-CG 4.49Å
302	V	84.4	Confident	90.5	Very high	130 Å²	130	52.9 Å²	52.9	79%	0.788	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-30.3	-172.4	-177.7	0	0	0	0	113.4	G300 Y304	G300-V302 PolarHBondContact O-N 3.3Å; V302-Y304 VanDerWaalsContact C-N 3.35Å; V302-Y304 PolarHBondContact O-N 2.9Å
303	R	85.3	Confident	90.2	Very high	161 Å²	161	55.6 Å²	55.6	61%	0.608	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	22.1	-173	-64.3	-173	-66	-174.4	-1.4	113.9	Y301 Q305 K306	Y301-R303 HydrophobicContact CE1-CB 3.96Å; R303-Q305 PolarHBondContact O-N 3.34Å; R303-Q305 VanDerWaalsContact O-N 3.08Å; R303-K306 PolarHBondContact O-N 3.36Å
304	Y	83.9	Confident	90.1	Very high	37 Å²	37	55.2 Å²	55.2	15%	0.145	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-58	-29.6	-172.9	67	-90.9	0	0	0	113.5	E293 L296 Y301 V302 K306 L307	E293-Y304 HydrophobicContact CB-CE2 4.02Å; E293-Y304 WeakPolarHBondContact CG-OH 3.08Å; L296-Y304 HydrophobicContact CB-CG 4.19Å; L296-Y304 HydrophobicContact CD1-CD2 4.43Å; L296-Y304 HydrophobicContact CD1-CG 4.42Å; Y301-Y304 VanDerWaalsContact CD1-N 3.34Å; Y301-Y304 WeakPolarHBondContact O-CD1 3.23Å; V302-Y304 VanDerWaalsContact C-N 3.35Å; V302-Y304 PolarHBondContact O-N 2.9Å; Y304-K306 PolarHBondContact O-N 2.92Å; Y304-L307 WeakPolarHBondContact O-CB 3.31Å; Y304-L307 PolarHBondContact O-N 2.83Å
305	Q	85.7	Confident	89.9	Confident	127 Å²	127	56.9 Å²	56.9	59%	0.593	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-65.5	-21.4	177.6	-61.8	-176.2	0.6	0	0	113.5	R276 R303	R276-Q305 VanDerWaalsContact NH2-C 3.34Å; R276-Q305 PolarHBondContact NH2-O 3.02Å; R303-Q305 PolarHBondContact O-N 3.34Å; R303-Q305 VanDerWaalsContact O-N 3.08Å
306	K	88.4	Confident	89.6	Confident	175 Å²	175	57.8 Å²	57.8	76%	0.761	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-91.5	-6	179.2	-61	-172.2	177.8	-173.3	0	113.4	R303 Y304	R303-K306 PolarHBondContact O-N 3.36Å; Y304-K306 PolarHBondContact O-N 2.92Å
307	L	91.5	Very high	89.5	Confident	10 Å²	10	57.8 Å²	57.8	5%	0.052	30%	0.295	C	S	.	.	S	Bend	trans	-65.8	131	178.4	-64.1	170.1	0	0	0	109.4	F205 V207 L296 Y301 Y304 L493	F205-L307 HydrophobicContact CB-CD2 4.36Å; F205-L307 WeakPolarHBondContact O-CD2 3.4Å; V207-L307 HydrophobicContact CG2-CB 3.96Å; V207-L307 HydrophobicContact CG2-CD1 3.96Å; L296-L307 HydrophobicContact CD1-CD1 4.04Å; Y301-L307 HydrophobicContact CD1-CD1 4.29Å; Y301-L307 HydrophobicContact CE1-CD1 3.95Å; Y301-L307 HydrophobicContact CE1-CD2 3.84Å; Y301-L307 HydrophobicContact CE1-CG 3.92Å; Y304-L307 WeakPolarHBondContact O-CB 3.31Å; Y304-L307 PolarHBondContact O-N 2.83Å; L307-L493 HydrophobicContact CD1-CD2 3.7Å; L307-L493 HydrophobicContact CD2-CD2 4.17Å
308	P	93.7	Very high	89.6	Confident	55 Å²	55	58.4 Å²	58.4	36%	0.357	29%	0.293	S	S	.	.			trans	-57.4	154.3	168.3	-19.2	30.6	0	0	0	110.6	F205 A206 V207 L273	F205-P308 WeakPolarHBondContact O-CD 3.4Å; A206-P308 CarbonylContact C-O 3.57Å; A206-P308 VanDerWaalsContact CA-O 3.28Å; A206-P308 WeakPolarHBondContact CA-O 3.45Å; A206-P308 HydrophobicContact CB-CB 4.12Å; V207-P308 PolarHBondContact N-O 3.4Å; L273-P308 HydrophobicContact CD1-CB 4.5Å; L273-P308 HydrophobicContact CD2-CB 3.56Å
309	I	94.9	Very high	89.7	Confident	4 Å²	4	61.8 Å²	61.8	2%	0.021	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.5	179.9	-57.4	178.4	0	0	0	108.1	V207 I209 L273 T274 R276 L279 L292	V207-I309 HydrophobicContact CB-CG1 4.45Å; V207-I309 CarbonylContact O-C 3.25Å; V207-I309 WeakPolarHBondContact O-CA 3.44Å; I209-I309 HydrophobicContact CG1-CG2 4.2Å; L273-I309 WeakPolarHBondContact CA-O 3.49Å; T274-I309 HydrophobicContact CG2-CB 3.76Å; T274-I309 HydrophobicContact CG2-CG2 3.55Å; T274-I309 VanDerWaalsContact CG2-O 3.23Å; T274-I309 WeakPolarHBondContact CG2-O 3.44Å; T274-I309 PolarHBondContact N-O 2.94Å; R276-I309 HydrophobicContact CG-CD1 3.99Å; L279-I309 HydrophobicContact CD2-CD1 3.86Å; L279-I309 HydrophobicContact CD2-CG2 4.18Å; L292-I309 HydrophobicContact CD1-CD1 4.12Å
310	I	94.5	Very high	89.8	Confident	1 Å²	1	62 Å²	62	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132.4	171.6	-66.6	167.5	0	0	0	107.3	I204 A206 V207 I209 R271 L273	I204-I310 HydrophobicContact CD1-CD1 3.43Å; I204-I310 VanDerWaalsContact CD1-CD1 3.43Å; A206-I310 HydrophobicContact CB-CD1 3.87Å; A206-I310 HydrophobicContact CB-CG1 4.27Å; V207-I310 PolarHBondContact O-N 2.81Å; I209-I310 PolarHBondContact N-O 2.74Å; R271-I310 HydrophobicContact CB-CD1 4.08Å; R271-I310 HydrophobicContact CB-CG2 4.48Å; R271-I310 HydrophobicContact CG-CD1 4.41Å; L273-I310 HydrophobicContact CD2-CD1 4.29Å; L273-I310 HydrophobicContact CD2-CG1 3.92Å
311	I	93.3	Very high	90.1	Very high	15 Å²	15	59.3 Å²	59.3	8%	0.077	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	110.7	170	-56.7	164.7	0	0	0	107.8	I209 T274 L279 Q314 L317	I209-I311 CarbonylContact O-C 3.5Å; I209-I311 WeakPolarHBondContact O-CA 3.32Å; T274-I311 HydrophobicContact CG2-CD1 3.79Å; T274-I311 HydrophobicContact CG2-CG1 3.7Å; L279-I311 HydrophobicContact CB-CD1 4.13Å; L279-I311 HydrophobicContact CD1-CD1 3.72Å; L279-I311 HydrophobicContact CD1-CG1 3.86Å; I311-Q314 HydrophobicContact CB-CB 4.3Å; I311-Q314 HydrophobicContact CB-CG 4.38Å; I311-Q314 HydrophobicContact CD1-CG 4.31Å; I311-Q314 HydrophobicContact CG2-CB 3.74Å; I311-Q314 HydrophobicContact CG2-CG 3.92Å; I311-L317 HydrophobicContact CG2-CD2 3.8Å
312	E	90.7	Very high	90.4	Very high	39 Å²	39	60.6 Å²	60.6	18%	0.182	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	142	168.9	-65	-174.3	166.6	0	0	109.8	I208 I209 S210 P211 Q314	I208-E312 HydrophobicContact CG2-CG 3.88Å; I209-E312 PolarHBondContact O-N 2.93Å; S210-E312 VanDerWaalsContact OG-CD 3.23Å; S210-E312 PolarHBondContact OG-OE2 3.05Å; P211-E312 WeakPolarHBondContact CD-O 3.47Å; E312-Q314 VanDerWaalsContact C-N 3.26Å; E312-Q314 PolarHBondContact O-N 2.53Å; E312-Q314 VanDerWaalsContact O-N 3.17Å
313	R	88.5	Confident	90.9	Very high	59 Å²	59	57.6 Å²	57.6	22%	0.223	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	49	173.5	-59.8	-178	-60.8	-70.1	2.4	112.4	P211 N269 S315 E316 L317	P211-R313 HydrophobicContact CG-CB 3.87Å; N269-R313 WeakPolarHBondContact OD1-CG 3.48Å; R313-S315 PolarHBondContact O-N 3.3Å; R313-S315 VanDerWaalsContact O-N 3.13Å; R313-E316 HydrophobicContact CB-CB 4.13Å; R313-E316 VanDerWaalsContact CD-OE2 3.32Å; R313-E316 WeakPolarHBondContact CD-OE2 3.28Å; R313-E316 IonicContact NE-OE2 3.96Å; R313-E316 PolarHBondContact NE-OE2 3.13Å; R313-E316 VanDerWaalsContact NE-OE2 3.16Å; R313-E316 WeakPolarHBondContact O-CB 3.26Å; R313-E316 PolarHBondContact O-N 3.43Å; R313-L317 PolarHBondContact O-N 2.88Å; R313-L317 VanDerWaalsContact O-N 3.12Å
314	Q	90.5	Very high	91.3	Very high	49 Å²	49	49.9 Å²	49.9	23%	0.229	24%	0.244	C	C	.	.	H	α-helix	trans	-52.5	-37.4	-173.4	-172.2	-174.4	11	0	0	114.1	E278 T282 I311 E312 L317 R318	E278-Q314 VanDerWaalsContact CG-NE2 3.27Å; E278-Q314 PolarHBondContact OE1-NE2 3.45Å; E278-Q314 PolarHBondContact OE1-OE1 3.3Å; T282-Q314 HydrophobicContact CG2-CG 3.69Å; T282-Q314 PolarHBondContact OG1-NE2 2.97Å; I311-Q314 HydrophobicContact CB-CB 4.3Å; I311-Q314 HydrophobicContact CB-CG 4.38Å; I311-Q314 HydrophobicContact CD1-CG 4.31Å; I311-Q314 HydrophobicContact CG2-CB 3.74Å; I311-Q314 HydrophobicContact CG2-CG 3.92Å; E312-Q314 VanDerWaalsContact C-N 3.26Å; E312-Q314 PolarHBondContact O-N 2.53Å; E312-Q314 VanDerWaalsContact O-N 3.17Å; Q314-L317 PolarHBondContact O-N 2.04Å; Q314-R318 WeakPolarHBondContact O-CB 3.3Å; Q314-R318 PolarHBondContact O-N 2.83Å
315	S	89.8	Confident	91.7	Very high	92 Å²	92	52.9 Å²	52.9	64%	0.643	25%	0.254	S	S	*	.	H	α-helix	trans	-63.8	-39.9	176.3	56.7	0	0	0	0	112.8	R313 R318 Q319	R313-S315 PolarHBondContact O-N 3.3Å; R313-S315 VanDerWaalsContact O-N 3.13Å; S315-R318 PolarHBondContact O-N 3.24Å; S315-Q319 WeakPolarHBondContact O-CB 3.48Å; S315-Q319 PolarHBondContact O-N 3.19Å
316	E	89	Confident	92.1	Very high	19 Å²	19	49.2 Å²	49.2	9%	0.089	25%	0.246	C	C	.	.	H	α-helix	trans	-66.8	-44.1	176.5	-171.5	-167.2	158.6	0	0	110.2	P211 R313 R318 Q319 R320	P211-E316 HydrophobicContact CB-CG 4.2Å; P211-E316 HydrophobicContact CG-CB 3.95Å; P211-E316 HydrophobicContact CG-CG 4.08Å; R313-E316 HydrophobicContact CB-CB 4.13Å; R313-E316 VanDerWaalsContact CD-OE2 3.32Å; R313-E316 WeakPolarHBondContact CD-OE2 3.28Å; R313-E316 IonicContact NE-OE2 3.96Å; R313-E316 PolarHBondContact NE-OE2 3.13Å; R313-E316 VanDerWaalsContact NE-OE2 3.16Å; R313-E316 WeakPolarHBondContact O-CB 3.26Å; R313-E316 PolarHBondContact O-N 3.43Å; E316-R318 VanDerWaalsContact C-N 3.35Å; E316-R318 PolarHBondContact O-N 3.39Å; E316-Q319 PolarHBondContact O-N 2.99Å; E316-R320 WeakPolarHBondContact O-CB 3.49Å; E316-R320 PolarHBondContact O-N 3.26Å; E316-R320 IonicContact OE1-CZ 3.59Å; E316-R320 IonicContact OE1-NH2 2.66Å; E316-R320 PolarHBondContact OE1-NH2 2.74Å
317	L	91.6	Very high	92.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.1	-45.4	175.9	-179.4	60.1	0	0	0	111.2	F196 I209 P211 T282 I311 R313 Q314 R320 C321	F196-L317 HydrophobicContact CB-CD1 3.92Å; I209-L317 HydrophobicContact CG2-CD2 3.8Å; P211-L317 HydrophobicContact CG-CB 4.14Å; T282-L317 HydrophobicContact CG2-CB 4.28Å; T282-L317 HydrophobicContact CG2-CD2 4.02Å; T282-L317 HydrophobicContact CG2-CG 4.11Å; I311-L317 HydrophobicContact CG2-CD2 3.8Å; R313-L317 PolarHBondContact O-N 2.88Å; R313-L317 VanDerWaalsContact O-N 3.12Å; Q314-L317 PolarHBondContact O-N 2.04Å; L317-R320 PolarHBondContact O-N 3.36Å; L317-C321 PolarHBondContact O-N 3.1Å; L317-C321 PolarHBondContact O-SG 3.26Å
318	R	93.4	Very high	92.4	Very high	123 Å²	123	43.4 Å²	43.4	46%	0.464	22%	0.223	S	C	.	.	H	α-helix	trans	-60.3	-46.7	177.8	-172.9	-178.6	-63.4	164.9	2.7	112.1	T282 Q314 S315 E316 R320 C321 S322	T282-R318 HydrophobicContact CG2-CB 4.11Å; T282-R318 WeakPolarHBondContact O-CA 3.35Å; Q314-R318 WeakPolarHBondContact O-CB 3.3Å; Q314-R318 PolarHBondContact O-N 2.83Å; S315-R318 PolarHBondContact O-N 3.24Å; E316-R318 VanDerWaalsContact C-N 3.35Å; E316-R318 PolarHBondContact O-N 3.39Å; R318-R320 VanDerWaalsContact C-N 3.35Å; R318-C321 PolarHBondContact O-N 3.19Å; R318-S322 PolarHBondContact O-N 3.48Å
319	Q	91.9	Very high	92.4	Very high	103 Å²	103	49 Å²	49	48%	0.481	24%	0.242	S	C	.	.	H	α-helix	trans	-58.6	-49.7	176.7	-180	-176	-16.9	0	0	110.4	S315 E316 C321 S322 E323	S315-Q319 WeakPolarHBondContact O-CB 3.48Å; S315-Q319 PolarHBondContact O-N 3.19Å; E316-Q319 PolarHBondContact O-N 2.99Å; Q319-C321 PolarHBondContact O-N 3.33Å; Q319-S322 WeakPolarHBondContact O-CB 3.41Å; Q319-S322 PolarHBondContact O-N 2.85Å; Q319-S322 VanDerWaalsContact O-N 3.11Å; Q319-E323 WeakPolarHBondContact CG-OE1 3.44Å; Q319-E323 PolarHBondContact NE2-OE1 3.43Å; Q319-E323 PolarHBondContact O-N 3.3Å
320	R	90.8	Very high	92.3	Very high	10 Å²	10	53 Å²	53	4%	0.038	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-43.9	-179	-167.3	173.1	-71.4	147.5	9.6	111.9	L195 G212 E316 L317 R318 S322 E323 Y324	L195-R320 HydrophobicContact CD1-CB 4.34Å; L195-R320 HydrophobicContact CD1-CG 3.78Å; G212-R320 PolarHBondContact O-NH1 3.35Å; E316-R320 WeakPolarHBondContact O-CB 3.49Å; E316-R320 PolarHBondContact O-N 3.26Å; E316-R320 IonicContact OE1-CZ 3.59Å; E316-R320 IonicContact OE1-NH2 2.66Å; E316-R320 PolarHBondContact OE1-NH2 2.74Å; L317-R320 PolarHBondContact O-N 3.36Å; R318-R320 VanDerWaalsContact C-N 3.35Å; R320-S322 VanDerWaalsContact C-N 3.27Å; R320-S322 PolarHBondContact O-N 3.14Å; R320-E323 WeakPolarHBondContact O-CB 3.36Å; R320-E323 PolarHBondContact O-N 3.44Å; R320-E323 VanDerWaalsContact O-N 3.1Å; R320-Y324 HydrophobicContact CG-CD2 3.84Å; R320-Y324 HydrophobicContact CG-CE2 3.58Å; R320-Y324 WeakPolarHBondContact O-CD2 3.23Å; R320-Y324 PolarHBondContact O-N 3.15Å
321	C	94	Very high	92.1	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.007	30%	0.301	C	S	.	.	H	α-helix	trans	-60.6	-37	175.5	-67.6	0	0	0	0	112.7	C283 E285 L317 R318 Q319 Y324 R325	C283-C321 HydrophobicContact CB-CB 3.72Å; C283-C321 WeakPolarHBondContact CB-SG 3.12Å; C283-C321 WeakPolarHBondContact SG-CB 3.2Å; C283-C321 CovalentContact SG-SG 2.02Å; C283-C321 PolarHBondContact SG-SG 3.35Å; E285-C321 WeakPolarHBondContact OE2-CB 3.08Å; L317-C321 PolarHBondContact O-N 3.1Å; L317-C321 PolarHBondContact O-SG 3.26Å; R318-C321 PolarHBondContact O-N 3.19Å; Q319-C321 PolarHBondContact O-N 3.33Å; C321-Y324 PolarHBondContact O-N 3.06Å; C321-R325 WeakPolarHBondContact O-CB 3.02Å; C321-R325 PolarHBondContact O-N 2.9Å
322	S	93.8	Very high	92	Very high	62 Å²	62	65.4 Å²	65.4	43%	0.434	32%	0.317	S	S	.	.	H	α-helix	trans	-64.8	-38.9	172.7	-171.7	0	0	0	0	113	R318 Q319 R320 R325 A326	R318-S322 PolarHBondContact O-N 3.48Å; Q319-S322 WeakPolarHBondContact O-CB 3.41Å; Q319-S322 PolarHBondContact O-N 2.85Å; Q319-S322 VanDerWaalsContact O-N 3.11Å; R320-S322 VanDerWaalsContact C-N 3.27Å; R320-S322 PolarHBondContact O-N 3.14Å; S322-R325 PolarHBondContact O-N 3.22Å; S322-A326 WeakPolarHBondContact O-CB 3.02Å; S322-A326 PolarHBondContact O-N 2.93Å
323	E	93	Very high	92.1	Very high	67 Å²	67	63.5 Å²	63.5	31%	0.313	31%	0.309	S	S	.	.	H	α-helix	trans	-65.3	-42.1	176	-70.3	172.1	-169.8	0	0	111.3	L259 Q319 R320 A326 L327	L259-E323 HydrophobicContact CD2-CB 3.83Å; Q319-E323 WeakPolarHBondContact CG-OE1 3.44Å; Q319-E323 PolarHBondContact NE2-OE1 3.43Å; Q319-E323 PolarHBondContact O-N 3.3Å; R320-E323 WeakPolarHBondContact O-CB 3.36Å; R320-E323 PolarHBondContact O-N 3.44Å; R320-E323 VanDerWaalsContact O-N 3.1Å; E323-A326 PolarHBondContact O-N 3.27Å; E323-L327 WeakPolarHBondContact O-CB 3.42Å; E323-L327 PolarHBondContact O-N 3.2Å
324	Y	94	Very high	92.2	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.3	-39.7	174.6	-83.5	-113.9	0	0	0	112.2	L179 F183 P194 L195 F214 L259 R320 C321 A326 L327 L328 L337	L179-Y324 HydrophobicContact CD1-CD1 4.1Å; L179-Y324 HydrophobicContact CD1-CG 4.36Å; L179-Y324 HydrophobicContact CD2-CD1 4.28Å; F183-Y324 HydrophobicContact CE2-CD1 4.12Å; F183-Y324 AromaticContact CE2-CE1 3.84Å; F183-Y324 HydrophobicContact CE2-CE1 3.84Å; F183-Y324 HydrophobicContact CZ-CD1 4.22Å; F183-Y324 AromaticContact CZ-CE1 3.57Å; F183-Y324 HydrophobicContact CZ-CE1 3.57Å; P194-Y324 VanDerWaalsContact CB-OH 3.32Å; P194-Y324 WeakPolarHBondContact CB-OH 3.23Å; L195-Y324 HydrophobicContact CB-CE1 4.22Å; L195-Y324 HydrophobicContact CD1-CD1 4.22Å; L195-Y324 HydrophobicContact CD1-CD2 3.65Å; L195-Y324 HydrophobicContact CD1-CE1 4.36Å; L195-Y324 HydrophobicContact CD1-CE2 3.78Å; L195-Y324 HydrophobicContact CD1-CG 3.85Å; F214-Y324 HydrophobicContact CZ-CE2 4.45Å; F214-Y324 VanDerWaalsContact CZ-OH 3.23Å; F214-Y324 WeakPolarHBondContact CZ-OH 3.46Å; L259-Y324 HydrophobicContact CB-CE2 4.32Å; L259-Y324 HydrophobicContact CD1-CD2 4.29Å; L259-Y324 HydrophobicContact CD1-CE1 4.47Å; L259-Y324 HydrophobicContact CD1-CE2 3.73Å; L259-Y324 HydrophobicContact CD2-CD2 4.02Å; L259-Y324 HydrophobicContact CD2-CE2 3.94Å; L259-Y324 HydrophobicContact CG-CE2 4.22Å; R320-Y324 HydrophobicContact CG-CD2 3.84Å; R320-Y324 HydrophobicContact CG-CE2 3.58Å; R320-Y324 WeakPolarHBondContact O-CD2 3.23Å; R320-Y324 PolarHBondContact O-N 3.15Å; C321-Y324 PolarHBondContact O-N 3.06Å; Y324-A326 VanDerWaalsContact C-N 3.32Å; Y324-A326 PolarHBondContact O-N 3.45Å; Y324-L327 PolarHBondContact O-N 2.72Å; Y324-L328 WeakPolarHBondContact O-CG 3.46Å; Y324-L328 PolarHBondContact O-N 3.33Å; Y324-L337 HydrophobicContact CD1-CD1 4.43Å; Y324-L337 HydrophobicContact CD1-CD2 3.47Å; Y324-L337 VanDerWaalsContact CD1-CD2 3.47Å; Y324-L337 HydrophobicContact CE1-CD2 3.46Å; Y324-L337 VanDerWaalsContact CE1-CD2 3.46Å; Y324-L337 HydrophobicContact CG-CD2 4.38Å
325	R	93.7	Very high	92.3	Very high	99 Å²	99	64.7 Å²	64.7	37%	0.374	32%	0.32	S	S	.	.	H	α-helix	trans	-60	-42.3	172.3	-176.7	-162.4	-65.4	159.8	10.1	111.5	E285 C321 S322	E285-R325 HydrophobicContact CG-CB 4.09Å; E285-R325 IonicContact OE1-CZ 4Å; E285-R325 IonicContact OE1-NE 2.95Å; E285-R325 PolarHBondContact OE1-NE 3.49Å; E285-R325 IonicContact OE1-NH2 3.5Å; E285-R325 PolarHBondContact OE1-NH2 2.96Å; E285-R325 IonicContact OE2-NH2 3.28Å; C321-R325 WeakPolarHBondContact O-CB 3.02Å; C321-R325 PolarHBondContact O-N 2.9Å; S322-R325 PolarHBondContact O-N 3.22Å
326	A	94.3	Very high	92.6	Very high	51 Å²	51	60.6 Å²	60.6	42%	0.421	29%	0.291	S	S	.	.	H	α-helix	trans	-64.6	-45.1	177.8	0	0	0	0	0	110.8	S322 E323 Y324 L328 K329	S322-A326 WeakPolarHBondContact O-CB 3.02Å; S322-A326 PolarHBondContact O-N 2.93Å; E323-A326 PolarHBondContact O-N 3.27Å; Y324-A326 VanDerWaalsContact C-N 3.32Å; Y324-A326 PolarHBondContact O-N 3.45Å; A326-L328 VanDerWaalsContact C-N 3.34Å; A326-L328 PolarHBondContact O-N 3.29Å; A326-K329 WeakPolarHBondContact O-CB 3.15Å; A326-K329 PolarHBondContact O-N 3.31Å
327	L	93.7	Very high	92.8	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-60.4	-40.7	177.8	-176.8	56	0	0	0	112.2	T255 L259 E323 Y324 K329 E330 G333 I336 L337	T255-L327 HydrophobicContact CG2-CD1 4.45Å; T255-L327 HydrophobicContact CG2-CD2 3.58Å; L259-L327 HydrophobicContact CD1-CD2 4.2Å; E323-L327 WeakPolarHBondContact O-CB 3.42Å; E323-L327 PolarHBondContact O-N 3.2Å; Y324-L327 PolarHBondContact O-N 2.72Å; L327-K329 PolarHBondContact O-N 3.47Å; L327-E330 HydrophobicContact CD1-CB 4.45Å; L327-E330 HydrophobicContact CD1-CG 4.42Å; L327-E330 WeakPolarHBondContact CD1-OE2 3.29Å; L327-E330 WeakPolarHBondContact O-CB 3.34Å; L327-E330 PolarHBondContact O-N 3.18Å; L327-G333 WeakPolarHBondContact O-CA 3.25Å; L327-I336 HydrophobicContact CD2-CG2 4.34Å; L327-L337 HydrophobicContact CB-CD1 4.46Å; L327-L337 HydrophobicContact CD2-CD1 4.11Å; L327-L337 HydrophobicContact CD2-CD2 3.61Å; L327-L337 HydrophobicContact CD2-CG 3.6Å; L327-L337 HydrophobicContact CG-CD1 4.14Å; L327-L337 HydrophobicContact CG-CG 4.05Å
328	L	91.7	Very high	92.9	Very high	61 Å²	61	61.6 Å²	61.6	32%	0.319	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-15.7	175	-77.8	173.4	0	0	0	114.6	L179 Y324 A326 L337	L179-L328 HydrophobicContact CD1-CD1 4.19Å; L179-L328 HydrophobicContact CD2-CD1 3.8Å; L179-L328 HydrophobicContact CD2-CD2 4.21Å; L179-L328 HydrophobicContact CD2-CG 4.18Å; L179-L328 HydrophobicContact CG-CD1 3.8Å; Y324-L328 WeakPolarHBondContact O-CG 3.46Å; Y324-L328 PolarHBondContact O-N 3.33Å; A326-L328 VanDerWaalsContact C-N 3.34Å; A326-L328 PolarHBondContact O-N 3.29Å; L328-L337 HydrophobicContact CD2-CD1 3.63Å; L328-L337 HydrophobicContact CG-CD1 3.74Å
329	K	92.8	Very high	93	Very high	172 Å²	172	55.8 Å²	55.8	75%	0.748	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-10	175.8	-60.9	175.6	-179.5	-176.4	0	112.9	A326 L327	A326-K329 WeakPolarHBondContact O-CB 3.15Å; A326-K329 PolarHBondContact O-N 3.31Å; L327-K329 PolarHBondContact O-N 3.47Å
330	E	93.4	Very high	93.2	Very high	88 Å²	88	50.9 Å²	50.9	41%	0.411	25%	0.249	S	C	.	.	S	Bend	trans	-76.9	152.1	176	-61.2	178.7	-169.3	0	0	110.3	L327 D332 G333	L327-E330 HydrophobicContact CD1-CB 4.45Å; L327-E330 HydrophobicContact CD1-CG 4.42Å; L327-E330 WeakPolarHBondContact CD1-OE2 3.29Å; L327-E330 WeakPolarHBondContact O-CB 3.34Å; L327-E330 PolarHBondContact O-N 3.18Å; E330-D332 VanDerWaalsContact C-N 3.3Å; E330-D332 PolarHBondContact O-N 3.45Å; E330-G333 PolarHBondContact O-N 3.47Å; E330-G333 VanDerWaalsContact O-N 3.16Å
331	K	89.7	Confident	93.3	Very high	199 Å²	199	50.4 Å²	50.4	87%	0.865	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-43	-172.5	-176.4	-174	172.5	-166.3	0	113.7
332	D	91.1	Very high	93.4	Very high	78 Å²	78	50.4 Å²	50.4	42%	0.417	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	9	-177	-59.1	-57.4	0	0	0	112	E330 E334 S335 I336	E330-D332 VanDerWaalsContact C-N 3.3Å; E330-D332 PolarHBondContact O-N 3.45Å; D332-E334 VanDerWaalsContact C-N 3.34Å; D332-E334 PolarHBondContact O-N 3.27Å; D332-S335 WeakPolarHBondContact O-CB 3.49Å; D332-S335 PolarHBondContact O-N 3.45Å; D332-I336 HydrophobicContact CB-CD1 4.2Å; D332-I336 VanDerWaalsContact O-CG1 3.29Å; D332-I336 WeakPolarHBondContact O-CG1 3.31Å; D332-I336 PolarHBondContact O-N 2.95Å
333	G	92.8	Very high	93.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.9	-34.6	-170.2	0	0	0	0	0	114.8	L327 E330 L337	L327-G333 WeakPolarHBondContact O-CA 3.25Å; E330-G333 PolarHBondContact O-N 3.47Å; E330-G333 VanDerWaalsContact O-N 3.16Å; G333-L337 WeakPolarHBondContact O-CB 3.5Å; G333-L337 VanDerWaalsContact O-CG 3.31Å; G333-L337 WeakPolarHBondContact O-CG 3.44Å; G333-L337 PolarHBondContact O-N 2.95Å
334	E	91.3	Very high	93.5	Very high	102 Å²	102	44.6 Å²	44.6	48%	0.477	21%	0.213	S	C	.	.	H	α-helix	trans	-65.8	-46	175.5	-170.3	176.3	158.5	0	0	111.8	M175 D332 L337 R338	M175-E334 HydrophobicContact CE-CG 3.43Å; M175-E334 VanDerWaalsContact CE-CG 3.43Å; M175-E334 WeakPolarHBondContact CE-OE1 3.38Å; M175-E334 WeakPolarHBondContact CG-OE1 3.32Å; M175-E334 HydrophobicContact SD-CG 4.18Å; D332-E334 VanDerWaalsContact C-N 3.34Å; D332-E334 PolarHBondContact O-N 3.27Å; E334-L337 PolarHBondContact O-N 3.22Å; E334-R338 VanDerWaalsContact O-CB 3.26Å; E334-R338 WeakPolarHBondContact O-CB 3.28Å; E334-R338 PolarHBondContact O-N 2.99Å
335	S	92.8	Very high	93.4	Very high	31 Å²	31	44.6 Å²	44.6	22%	0.217	21%	0.213	C	C	.	.	H	α-helix	trans	-61.8	-43.4	176	172.3	0	0	0	0	111.5	E155 D332 R338 T339	E155-S335 VanDerWaalsContact OE1-CB 3.23Å; E155-S335 WeakPolarHBondContact OE1-CB 3.48Å; E155-S335 PolarHBondContact OE1-OG 2.74Å; D332-S335 WeakPolarHBondContact O-CB 3.49Å; D332-S335 PolarHBondContact O-N 3.45Å; S335-R338 PolarHBondContact O-N 3.32Å; S335-T339 WeakPolarHBondContact O-CB 3.45Å; S335-T339 PolarHBondContact O-N 3.27Å; S335-T339 PolarHBondContact O-OG1 2.85Å; S335-T339 VanDerWaalsContact O-OG1 3.07Å
336	I	95.2	Very high	93.4	Very high	5 Å²	5	40 Å²	40	3%	0.026	20%	0.196	C	C	.	.	H	α-helix	trans	-59.8	-52.1	176	-71	164.7	0	0	0	110.7	E251 A252 T255 L327 D332 R338 T339 I340	E251-I336 HydrophobicContact CG-CD1 3.74Å; E251-I336 HydrophobicContact CG-CG1 4.13Å; A252-I336 HydrophobicContact CB-CG2 4.45Å; T255-I336 HydrophobicContact CG2-CG2 3.76Å; L327-I336 HydrophobicContact CD2-CG2 4.34Å; D332-I336 HydrophobicContact CB-CD1 4.2Å; D332-I336 VanDerWaalsContact O-CG1 3.29Å; D332-I336 WeakPolarHBondContact O-CG1 3.31Å; D332-I336 PolarHBondContact O-N 2.95Å; I336-R338 VanDerWaalsContact C-N 3.28Å; I336-R338 PolarHBondContact O-N 3.46Å; I336-T339 PolarHBondContact O-N 3.19Å; I336-I340 HydrophobicContact CG2-CD1 3.94Å; I336-I340 WeakPolarHBondContact O-CG1 3.37Å; I336-I340 PolarHBondContact O-N 2.88Å
337	L	94.1	Very high	93.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-37.9	179.3	-78.3	172.1	0	0	0	112.2	L179 L182 Y324 L327 L328 G333 E334 I340 A341	L179-L337 HydrophobicContact CD2-CD1 3.85Å; L182-L337 HydrophobicContact CD2-CB 3.98Å; Y324-L337 HydrophobicContact CD1-CD1 4.43Å; Y324-L337 HydrophobicContact CD1-CD2 3.47Å; Y324-L337 VanDerWaalsContact CD1-CD2 3.47Å; Y324-L337 HydrophobicContact CE1-CD2 3.46Å; Y324-L337 VanDerWaalsContact CE1-CD2 3.46Å; Y324-L337 HydrophobicContact CG-CD2 4.38Å; L327-L337 HydrophobicContact CB-CD1 4.46Å; L327-L337 HydrophobicContact CD2-CD1 4.11Å; L327-L337 HydrophobicContact CD2-CD2 3.61Å; L327-L337 HydrophobicContact CD2-CG 3.6Å; L327-L337 HydrophobicContact CG-CD1 4.14Å; L327-L337 HydrophobicContact CG-CG 4.05Å; L328-L337 HydrophobicContact CD2-CD1 3.63Å; L328-L337 HydrophobicContact CG-CD1 3.74Å; G333-L337 WeakPolarHBondContact O-CB 3.5Å; G333-L337 VanDerWaalsContact O-CG 3.31Å; G333-L337 WeakPolarHBondContact O-CG 3.44Å; G333-L337 PolarHBondContact O-N 2.95Å; E334-L337 PolarHBondContact O-N 3.22Å; L337-I340 PolarHBondContact O-N 3.07Å; L337-A341 PolarHBondContact O-N 3.48Å
338	R	94.3	Very high	93	Very high	41 Å²	41	39.8 Å²	39.8	16%	0.155	19%	0.185	C	C	.	.	H	α-helix	trans	-63.1	-45.2	176.2	-170.6	168.9	-173.3	-102.1	-0.2	111.9	F151 G153 L182 E334 S335 I336 A341 I342	F151-R338 PolarHBondContact O-NH2 3.23Å; G153-R338 VanDerWaalsContact O-CZ 3.28Å; G153-R338 PolarHBondContact O-NH1 3.16Å; G153-R338 PolarHBondContact O-NH2 3.14Å; L182-R338 HydrophobicContact CD1-CB 4.33Å; L182-R338 HydrophobicContact CD1-CG 4.2Å; E334-R338 VanDerWaalsContact O-CB 3.26Å; E334-R338 WeakPolarHBondContact O-CB 3.28Å; E334-R338 PolarHBondContact O-N 2.99Å; S335-R338 PolarHBondContact O-N 3.32Å; I336-R338 VanDerWaalsContact C-N 3.28Å; I336-R338 PolarHBondContact O-N 3.46Å; R338-A341 PolarHBondContact O-N 3.12Å; R338-I342 HydrophobicContact CG-CD1 4Å; R338-I342 WeakPolarHBondContact O-CG1 3.44Å; R338-I342 PolarHBondContact O-N 3.47Å
339	T	95.4	Very high	92.7	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-61.7	-43.5	174.4	-65.2	0	0	0	0	111.5	W154 L156 L249 A252 S335 I336 A341 I342 M343	W154-T339 HydrophobicContact CZ2-CG2 3.85Å; W154-T339 PolarHBondContact NE1-OG1 2.86Å; L156-T339 HydrophobicContact CD1-CG2 4.4Å; L249-T339 HydrophobicContact CD2-CG2 4.19Å; A252-T339 HydrophobicContact CB-CG2 3.46Å; A252-T339 VanDerWaalsContact CB-CG2 3.46Å; S335-T339 WeakPolarHBondContact O-CB 3.45Å; S335-T339 PolarHBondContact O-N 3.27Å; S335-T339 PolarHBondContact O-OG1 2.85Å; S335-T339 VanDerWaalsContact O-OG1 3.07Å; I336-T339 PolarHBondContact O-N 3.19Å; T339-A341 PolarHBondContact O-N 3.47Å; T339-I342 PolarHBondContact O-N 3.31Å; T339-M343 HydrophobicContact CG2-CG 4.23Å; T339-M343 VanDerWaalsContact O-CB 3.31Å; T339-M343 WeakPolarHBondContact O-CB 3.21Å; T339-M343 VanDerWaalsContact O-CG 3.29Å; T339-M343 WeakPolarHBondContact O-CG 3.42Å; T339-M343 PolarHBondContact O-N 3.02Å
340	I	94.5	Very high	92.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57.3	-47.9	174.8	-72.6	170.6	0	0	0	111.2	P194 A252 T255 M256 L259 I336 L337 D344	P194-I340 HydrophobicContact CB-CG2 4.26Å; P194-I340 HydrophobicContact CG-CG2 4.09Å; A252-I340 HydrophobicContact CB-CG1 4.21Å; T255-I340 HydrophobicContact CG2-CD1 3.89Å; M256-I340 HydrophobicContact CB-CD1 4.31Å; M256-I340 HydrophobicContact CB-CG1 4.26Å; M256-I340 HydrophobicContact CE-CB 4.31Å; M256-I340 HydrophobicContact CE-CG1 4.19Å; M256-I340 HydrophobicContact CE-CG2 4.06Å; M256-I340 HydrophobicContact CG-CG2 4.48Å; L259-I340 HydrophobicContact CD1-CD1 4.32Å; I336-I340 HydrophobicContact CG2-CD1 3.94Å; I336-I340 WeakPolarHBondContact O-CG1 3.37Å; I336-I340 PolarHBondContact O-N 2.88Å; L337-I340 PolarHBondContact O-N 3.07Å; I340-D344 VanDerWaalsContact O-CB 3.3Å; I340-D344 WeakPolarHBondContact O-CB 3.43Å; I340-D344 PolarHBondContact O-N 2.99Å
341	A	94.6	Very high	91.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.3	-42.8	-178.6	0	0	0	0	0	112.4	F151 L182 F183 L186 L337 R338 T339 F345	F151-A341 HydrophobicContact CE1-CB 4.1Å; L182-A341 HydrophobicContact CD1-CB 3.63Å; L182-A341 HydrophobicContact CD2-CB 4.21Å; L182-A341 HydrophobicContact CG-CB 3.68Å; F183-A341 HydrophobicContact CD1-CB 4.18Å; F183-A341 HydrophobicContact CE1-CB 3.82Å; L186-A341 HydrophobicContact CD1-CB 4.41Å; L337-A341 PolarHBondContact O-N 3.48Å; R338-A341 PolarHBondContact O-N 3.12Å; T339-A341 PolarHBondContact O-N 3.47Å; A341-F345 VanDerWaalsContact O-CB 3.27Å; A341-F345 WeakPolarHBondContact O-CB 3.33Å; A341-F345 PolarHBondContact O-N 2.73Å
342	I	95.3	Very high	91.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.4	-45.4	177.9	-68.9	169.2	0	0	0	110.4	I147 F151 W154 R338 T339 F345 L346	I147-I342 HydrophobicContact CD1-CG2 4.16Å; I147-I342 HydrophobicContact CG1-CG2 4.06Å; F151-I342 HydrophobicContact CB-CD1 4.09Å; F151-I342 HydrophobicContact CB-CG1 4.11Å; F151-I342 HydrophobicContact CD1-CD1 4.42Å; F151-I342 HydrophobicContact CD1-CG1 3.7Å; F151-I342 HydrophobicContact CD2-CG1 3.95Å; F151-I342 HydrophobicContact CE1-CG1 4.03Å; F151-I342 HydrophobicContact CE2-CG1 4.27Å; F151-I342 HydrophobicContact CG-CD1 4.19Å; F151-I342 HydrophobicContact CG-CG1 3.64Å; F151-I342 HydrophobicContact CZ-CG1 4.3Å; W154-I342 HydrophobicContact CB-CD1 3.9Å; W154-I342 HydrophobicContact CD2-CD1 4.12Å; W154-I342 HydrophobicContact CD2-CG2 3.91Å; W154-I342 HydrophobicContact CE3-CG2 3.65Å; W154-I342 HydrophobicContact CG-CD1 3.65Å; W154-I342 HydrophobicContact CG-CG2 4.49Å; W154-I342 HydrophobicContact CH2-CG2 4.49Å; W154-I342 HydrophobicContact CZ3-CG2 3.97Å; R338-I342 HydrophobicContact CG-CD1 4Å; R338-I342 WeakPolarHBondContact O-CG1 3.44Å; R338-I342 PolarHBondContact O-N 3.47Å; T339-I342 PolarHBondContact O-N 3.31Å; I342-F345 WeakPolarHBondContact O-CB 3.35Å; I342-F345 PolarHBondContact O-N 3.11Å; I342-L346 HydrophobicContact CG2-CD1 4.02Å; I342-L346 HydrophobicContact CG2-CG 4.35Å; I342-L346 VanDerWaalsContact O-CG 3.3Å; I342-L346 WeakPolarHBondContact O-CG 3.49Å; I342-L346 PolarHBondContact O-N 3.1Å
343	M	94.8	Very high	91.2	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.015	13%	0.125	C	C	.	.	H	α-helix	trans	-67.3	-39.1	179.8	-72.2	-60.3	-68.3	0	0	112.7	W154 Y232 L235 A236 T339 F345 L346 R347	W154-M343 HydrophobicContact CH2-CG 4Å; W154-M343 HydrophobicContact CH2-SD 3.42Å; W154-M343 WeakPolarHBondContact CH2-SD 3.2Å; W154-M343 HydrophobicContact CZ2-CG 4.26Å; W154-M343 HydrophobicContact CZ2-SD 4.25Å; W154-M343 HydrophobicContact CZ3-SD 4.07Å; Y232-M343 HydrophobicContact CD1-CE 4.31Å; Y232-M343 HydrophobicContact CD2-CB 4.29Å; Y232-M343 HydrophobicContact CD2-CE 3.46Å; Y232-M343 VanDerWaalsContact CD2-CE 3.46Å; Y232-M343 HydrophobicContact CD2-CG 4.45Å; Y232-M343 HydrophobicContact CE1-CE 4.32Å; Y232-M343 HydrophobicContact CE2-CB 3.51Å; Y232-M343 HydrophobicContact CE2-CE 3.5Å; Y232-M343 VanDerWaalsContact CE2-CE 3.5Å; Y232-M343 HydrophobicContact CE2-CG 3.56Å; Y232-M343 HydrophobicContact CE2-SD 4.36Å; Y232-M343 HydrophobicContact CG-CE 3.9Å; Y232-M343 WeakPolarHBondContact O-CE 3.39Å; L235-M343 HydrophobicContact CB-CE 4.21Å; L235-M343 HydrophobicContact CD2-CE 3.89Å; L235-M343 HydrophobicContact CG-CE 4.02Å; A236-M343 HydrophobicContact CB-CE 3.89Å; A236-M343 HydrophobicContact CB-SD 3.98Å; T339-M343 HydrophobicContact CG2-CG 4.23Å; T339-M343 VanDerWaalsContact O-CB 3.31Å; T339-M343 WeakPolarHBondContact O-CB 3.21Å; T339-M343 VanDerWaalsContact O-CG 3.29Å; T339-M343 WeakPolarHBondContact O-CG 3.42Å; T339-M343 PolarHBondContact O-N 3.02Å; M343-F345 VanDerWaalsContact C-N 3.32Å; M343-L346 PolarHBondContact O-N 3.37Å; M343-L346 HydrophobicContact SD-CD1 4.16Å; M343-R347 WeakPolarHBondContact O-CB 3.36Å; M343-R347 PolarHBondContact O-N 2.88Å
344	D	93.1	Very high	90.9	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-61.9	-42.9	171.8	-166.7	71.5	0	0	0	110.6	L186 P194 I340 L346 R347 E348	L186-D344 HydrophobicContact CD1-CB 4.34Å; L186-D344 HydrophobicContact CD2-CB 4.45Å; L186-D344 WeakPolarHBondContact CD2-OD2 3.48Å; P194-D344 WeakPolarHBondContact CD-OD2 3.33Å; P194-D344 HydrophobicContact CG-CB 3.82Å; I340-D344 VanDerWaalsContact O-CB 3.3Å; I340-D344 WeakPolarHBondContact O-CB 3.43Å; I340-D344 PolarHBondContact O-N 2.99Å; D344-L346 PolarHBondContact O-N 3.23Å; D344-R347 PolarHBondContact O-N 2.91Å; D344-R347 IonicContact OD1-CZ 3.54Å; D344-R347 IonicContact OD1-NH1 3.93Å; D344-R347 PolarHBondContact OD1-NH1 2.83Å; D344-R347 IonicContact OD1-NH2 3.88Å; D344-R347 PolarHBondContact OD1-NH2 2.89Å; D344-E348 WeakPolarHBondContact O-CB 3.37Å; D344-E348 WeakPolarHBondContact O-CG 2.98Å; D344-E348 PolarHBondContact O-N 2.73Å
345	F	93.8	Very high	90	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.4	-45.2	176.7	175.9	-91.4	0	0	0	112.6	L146 Y150 F151 P185 L186 A341 I342 M343 E348 Q349 F478	L146-F345 HydrophobicContact CB-CE1 3.93Å; L146-F345 HydrophobicContact CB-CZ 4.27Å; L146-F345 HydrophobicContact CD1-CE1 4.38Å; Y150-F345 HydrophobicContact CD2-CZ 4.02Å; F151-F345 HydrophobicContact CE2-CB 3.98Å; F151-F345 AromaticContact CE2-CD1 3.87Å; F151-F345 HydrophobicContact CE2-CD1 3.87Å; F151-F345 HydrophobicContact CE2-CD2 4.08Å; F151-F345 HydrophobicContact CE2-CE1 4.38Å; F151-F345 AromaticContact CE2-CG 3.71Å; F151-F345 HydrophobicContact CE2-CG 3.71Å; F151-F345 HydrophobicContact CZ-CB 3.82Å; F151-F345 HydrophobicContact CZ-CD2 4.21Å; F151-F345 AromaticContact CZ-CG 3.95Å; F151-F345 HydrophobicContact CZ-CG 3.95Å; P185-F345 HydrophobicContact CB-CD2 4.43Å; P185-F345 HydrophobicContact CB-CE2 4.41Å; L186-F345 VanDerWaalsContact CD2-CA 3.49Å; L186-F345 HydrophobicContact CD2-CB 3.89Å; L186-F345 HydrophobicContact CD2-CD2 4.35Å; L186-F345 HydrophobicContact CG-CB 4.05Å; L186-F345 HydrophobicContact CG-CD2 4.35Å; A341-F345 VanDerWaalsContact O-CB 3.27Å; A341-F345 WeakPolarHBondContact O-CB 3.33Å; A341-F345 PolarHBondContact O-N 2.73Å; I342-F345 WeakPolarHBondContact O-CB 3.35Å; I342-F345 PolarHBondContact O-N 3.11Å; M343-F345 VanDerWaalsContact C-N 3.32Å; F345-E348 PolarHBondContact O-N 3.09Å; F345-Q349 HydrophobicContact CE1-CG 4.24Å; F345-Q349 WeakPolarHBondContact O-CG 3.2Å; F345-Q349 PolarHBondContact O-N 3.47Å; F345-Q349 VanDerWaalsContact O-N 3.13Å; F345-Q349 PolarHBondContact O-NE2 3.32Å; F345-F478 HydrophobicContact CE2-CD2 4.28Å; F345-F478 AromaticContact CE2-CE2 3.73Å; F345-F478 HydrophobicContact CE2-CE2 3.73Å; F345-F478 AromaticContact CZ-CD2 3.8Å; F345-F478 HydrophobicContact CZ-CD2 3.8Å; F345-F478 AromaticContact CZ-CE2 3.56Å; F345-F478 HydrophobicContact CZ-CE2 3.56Å
346	L	93	Very high	88.9	Confident	2 Å²	2	26.5 Å²	26.5	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-66.7	-44.1	177.9	-68.3	174.6	0	0	0	111.8	R143 I147 W154 L235 T239 I342 M343 D344 E348 Q349 Q350	R143-L346 HydrophobicContact CB-CD2 3.88Å; R143-L346 HydrophobicContact CG-CD2 3.84Å; I147-L346 HydrophobicContact CD1-CD1 4.23Å; I147-L346 HydrophobicContact CD1-CD2 4.24Å; I147-L346 HydrophobicContact CG1-CD2 4.43Å; W154-L346 HydrophobicContact CZ3-CD1 4.16Å; L235-L346 HydrophobicContact CD1-CB 4.1Å; L235-L346 HydrophobicContact CD2-CB 3.83Å; L235-L346 HydrophobicContact CG-CB 4.24Å; T239-L346 HydrophobicContact CG2-CD1 3.96Å; I342-L346 HydrophobicContact CG2-CD1 4.02Å; I342-L346 HydrophobicContact CG2-CG 4.35Å; I342-L346 VanDerWaalsContact O-CG 3.3Å; I342-L346 WeakPolarHBondContact O-CG 3.49Å; I342-L346 PolarHBondContact O-N 3.1Å; M343-L346 PolarHBondContact O-N 3.37Å; M343-L346 HydrophobicContact SD-CD1 4.16Å; D344-L346 PolarHBondContact O-N 3.23Å; L346-E348 VanDerWaalsContact C-N 3.29Å; L346-E348 PolarHBondContact O-N 3.06Å; L346-Q349 WeakPolarHBondContact O-CA 3.41Å; L346-Q349 VanDerWaalsContact O-CB 3.3Å; L346-Q349 WeakPolarHBondContact O-CB 3.35Å; L346-Q349 PolarHBondContact O-N 3.35Å; L346-Q350 PolarHBondContact O-N 2.84Å; L346-Q350 VanDerWaalsContact O-N 3.16Å
347	R	90.6	Very high	87.2	Confident	40 Å²	40	33 Å²	33	15%	0.151	16%	0.159	C	C	.	.	H	α-helix	trans	-59.6	-43.5	176.4	-169.9	-166.3	75.8	-116.4	-6.5	110.9	L235 M343 D344 Q349 Q350 K351	L235-R347 HydrophobicContact CD2-CB 4.35Å; M343-R347 WeakPolarHBondContact O-CB 3.36Å; M343-R347 PolarHBondContact O-N 2.88Å; D344-R347 PolarHBondContact O-N 2.91Å; D344-R347 IonicContact OD1-CZ 3.54Å; D344-R347 IonicContact OD1-NH1 3.93Å; D344-R347 PolarHBondContact OD1-NH1 2.83Å; D344-R347 IonicContact OD1-NH2 3.88Å; D344-R347 PolarHBondContact OD1-NH2 2.89Å; R347-Q349 PolarHBondContact O-N 3.01Å; R347-Q350 PolarHBondContact O-N 3.26Å; R347-Q350 VanDerWaalsContact O-N 3.11Å; R347-K351 PolarHBondContact O-N 3.17Å
348	E	88.9	Confident	85.4	Confident	9 Å²	9	35.4 Å²	35.4	4%	0.042	17%	0.173	C	C	.	.	H	α-helix	trans	-63.6	-29.5	176.7	-71.8	-58.1	131.4	0	0	111.8	L186 D344 F345 L346 K351 R481	L186-E348 HydrophobicContact CD2-CG 4.45Å; D344-E348 WeakPolarHBondContact O-CB 3.37Å; D344-E348 WeakPolarHBondContact O-CG 2.98Å; D344-E348 PolarHBondContact O-N 2.73Å; F345-E348 PolarHBondContact O-N 3.09Å; L346-E348 VanDerWaalsContact C-N 3.29Å; L346-E348 PolarHBondContact O-N 3.06Å; E348-K351 VanDerWaalsContact CD-NZ 3.33Å; E348-K351 VanDerWaalsContact OE1-CE 3.31Å; E348-K351 WeakPolarHBondContact OE1-CE 3.17Å; E348-K351 IonicContact OE1-NZ 2.75Å; E348-K351 PolarHBondContact OE1-NZ 2.93Å; E348-K351 IonicContact OE2-NZ 3.06Å; E348-K351 PolarHBondContact OE2-NZ 2.66Å; E348-R481 VanDerWaalsContact C-NH1 3.34Å; E348-R481 PolarHBondContact O-NE 3.37Å; E348-R481 PolarHBondContact O-NH1 3.04Å; E348-R481 PolarHBondContact O-NH2 2.72Å; E348-R481 IonicContact OE2-CZ 3.85Å; E348-R481 IonicContact OE2-NH2 2.97Å; E348-R481 PolarHBondContact OE2-NH2 3.25Å
349	Q	86.2	Confident	83.3	Confident	18 Å²	18	40.1 Å²	40.1	8%	0.084	20%	0.2	C	C	.	.	H	α-helix	trans	-66.3	-39.5	170.2	-58.3	-35.4	-61.1	0	0	113	F345 L346 R347 K351 T353 F478	F345-Q349 HydrophobicContact CE1-CG 4.24Å; F345-Q349 WeakPolarHBondContact O-CG 3.2Å; F345-Q349 PolarHBondContact O-N 3.47Å; F345-Q349 VanDerWaalsContact O-N 3.13Å; F345-Q349 PolarHBondContact O-NE2 3.32Å; L346-Q349 WeakPolarHBondContact O-CA 3.41Å; L346-Q349 VanDerWaalsContact O-CB 3.3Å; L346-Q349 WeakPolarHBondContact O-CB 3.35Å; L346-Q349 PolarHBondContact O-N 3.35Å; R347-Q349 PolarHBondContact O-N 3.01Å; Q349-K351 VanDerWaalsContact C-N 3.33Å; Q349-K351 PolarHBondContact O-N 3.27Å; Q349-T353 PolarHBondContact O-OG1 3.35Å; Q349-F478 VanDerWaalsContact OE1-CD2 3.25Å
350	Q	84.4	Confident	81.2	Confident	76 Å²	76	40.2 Å²	40.2	36%	0.355	20%	0.201	S	C	.	.	H	α-helix	trans	-71.2	-26	-171.2	-73.9	-175.7	-51.7	0	0	113.7	L235 L346 R347 N352 T353	L235-Q350 HydrophobicContact CD1-CG 4.26Å; L235-Q350 VanDerWaalsContact CD1-NE2 3.35Å; L346-Q350 PolarHBondContact O-N 2.84Å; L346-Q350 VanDerWaalsContact O-N 3.16Å; R347-Q350 PolarHBondContact O-N 3.26Å; R347-Q350 VanDerWaalsContact O-N 3.11Å; Q350-N352 PolarHBondContact O-N 3.07Å; Q350-T353 PolarHBondContact O-N 3.11Å
351	K	83	Confident	79	Confident	117 Å²	117	43.3 Å²	43.3	51%	0.509	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-34.2	-172.6	-76.6	-178.2	172.8	171.1	0	115.4	R347 E348 Q349	R347-K351 PolarHBondContact O-N 3.17Å; E348-K351 VanDerWaalsContact CD-NZ 3.33Å; E348-K351 VanDerWaalsContact OE1-CE 3.31Å; E348-K351 WeakPolarHBondContact OE1-CE 3.17Å; E348-K351 IonicContact OE1-NZ 2.75Å; E348-K351 PolarHBondContact OE1-NZ 2.93Å; E348-K351 IonicContact OE2-NZ 3.06Å; E348-K351 PolarHBondContact OE2-NZ 2.66Å; Q349-K351 VanDerWaalsContact C-N 3.33Å; Q349-K351 PolarHBondContact O-N 3.27Å
352	N	80.6	Confident	76.6	Confident	73 Å²	73	46.2 Å²	46.2	39%	0.39	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.9	5.7	-178.4	-64.7	-3.9	0	0	0	112.8	Q350 R380	Q350-N352 PolarHBondContact O-N 3.07Å; N352-R380 WeakPolarHBondContact O-CD 3.33Å; N352-R380 PolarHBondContact O-NE 3.13Å
353	T	86.9	Confident	74.2	Confident	27 Å²	27	51.3 Å²	51.3	17%	0.166	25%	0.252	C	S	.	.	S	Bend	trans	-91.2	134.3	-177.6	-59.8	0	0	0	0	109.1	Q349 Q350 Y473 Y474 E477	Q349-T353 PolarHBondContact O-OG1 3.35Å; Q350-T353 PolarHBondContact O-N 3.11Å; T353-Y473 HydrophobicContact CG2-CD1 4.49Å; T353-Y473 HydrophobicContact CG2-CE1 3.77Å; T353-Y474 HydrophobicContact CG2-CD1 3.5Å; T353-Y474 HydrophobicContact CG2-CE1 3.53Å; T353-E477 HydrophobicContact CG2-CG 4.33Å
354	L	86	Confident	71.6	Confident	24 Å²	24	56.1 Å²	56.1	13%	0.126	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-64.3	138	174.8	-58.7	179.4	0	0	0	110.6	Q376 R380 Y473	L354-Q376 HydrophobicContact CD1-CB 3.52Å; L354-Q376 HydrophobicContact CD2-CB 3.88Å; L354-Q376 HydrophobicContact CG-CB 4.35Å; L354-R380 HydrophobicContact CD1-CG 3.88Å; L354-R380 HydrophobicContact CD2-CG 4.06Å; L354-R380 HydrophobicContact CG-CG 3.78Å; L354-Y473 HydrophobicContact CB-CE1 4.19Å; L354-Y473 WeakPolarHBondContact CG-OH 3.28Å; L354-Y473 PolarHBondContact N-OH 3.47Å
355	N	73.3	Confident	68.9	Low	87 Å²	87	62.8 Å²	62.8	47%	0.465	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-69.1	149.5	178.1	-166.7	-6.5	0	0	0	109.7	R134 H357 T358	R134-N355 WeakPolarHBondContact CD-O 3.45Å; N355-H357 PolarHBondContact O-N 2.86Å; N355-T358 WeakPolarHBondContact CB-OG1 3.33Å; N355-T358 PolarHBondContact N-OG1 3.15Å; N355-T358 PolarHBondContact O-N 2.77Å; N355-T358 VanDerWaalsContact O-N 3.1Å; N355-T358 PolarHBondContact O-OG1 2.92Å
356	V	69.2	Low	66.2	Low	30 Å²	30	69.5 Å²	69.5	18%	0.182	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-36.7	174.4	176.3	0	0	0	0	111.3	S136 A139 Y474	S136-V356 WeakPolarHBondContact OG-CG1 3.24Å; A139-V356 HydrophobicContact CB-CG2 4.15Å; V356-Y474 WeakPolarHBondContact CG2-OH 3.12Å
357	H	58.4	Low	63.4	Low	142 Å²	142	71.5 Å²	71.5	66%	0.657	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-5.3	-176.8	-62.1	-60.7	0	0	0	114.3	N355 I359	N355-H357 PolarHBondContact O-N 2.86Å; H357-I359 PolarHBondContact O-N 3.42Å
358	T	57.4	Low	61.1	Low	49 Å²	49	76.2 Å²	76.2	30%	0.301	40%	0.402	S	S	.	.			trans	-75.5	99.2	174.7	-29.5	0	0	0	0	108	R134 N355 G360	R134-T358 PolarHBondContact NE-O 2.95Å; R134-T358 PolarHBondContact NH2-O 3.42Å; N355-T358 WeakPolarHBondContact CB-OG1 3.33Å; N355-T358 PolarHBondContact N-OG1 3.15Å; N355-T358 PolarHBondContact O-N 2.77Å; N355-T358 VanDerWaalsContact O-N 3.1Å; N355-T358 PolarHBondContact O-OG1 2.92Å; T358-G360 PolarHBondContact O-N 3.38Å
359	I	50	Low	59	Low	141 Å²	141	80.9 Å²	80.9	72%	0.723	44%	0.435	S	S	*	.			trans	-69.1	126.6	165.7	-56.2	175.5	0	0	0	105.2	H357 Q376	H357-I359 PolarHBondContact O-N 3.42Å; I359-Q376 PolarHBondContact O-NE2 3.28Å
360	G	50.7	Low	57	Low	2 Å²	2	85.6 Å²	85.6	2%	0.021	46%	0.457	C	S	.	.			trans	-55.2	141.1	172.2	0	0	0	0	0	109	T358 D362	T358-G360 PolarHBondContact O-N 3.38Å; G360-D362 PolarHBondContact O-N 3.07Å
361	M	48.5	Very low	55.6	Low	66 Å²	66	85.3 Å²	85.3	33%	0.325	46%	0.462	S	S	.	.			trans	-58	112.3	173.5	-73.1	-174.2	-72.3	0	0	107.9	P84 Y363	P84-M361 HydrophobicContact CG-SD 4.25Å; M361-Y363 PolarHBondContact O-N 3.14Å
362	D	44.8	Very low	55	Low	61 Å²	61	83 Å²	83	33%	0.326	45%	0.453	S	S	.	.			trans	-90	103.4	-165	-161.7	-14.2	0	0	0	109.7	G360 N364 L365 H372	G360-D362 PolarHBondContact O-N 3.07Å; D362-N364 PolarHBondContact OD1-N 3.43Å; D362-N364 VanDerWaalsContact OD1-N 3.15Å; D362-L365 VanDerWaalsContact OD2-CD2 3.26Å; D362-L365 WeakPolarHBondContact OD2-CD2 3.39Å; D362-L365 VanDerWaalsContact OD2-CG 3.25Å; D362-L365 WeakPolarHBondContact OD2-CG 3.06Å; D362-H372 IonicContact OD1-CE1 3.69Å; D362-H372 PolarHBondContact OD1-CE1 3.07Å; D362-H372 IonicContact OD1-ND1 3.65Å; D362-H372 IonicContact OD2-CE1 3.87Å
363	Y	45.4	Very low	55.1	Low	107 Å²	107	80.6 Å²	80.6	42%	0.42	44%	0.439	S	S	.	.	S	Bend	trans	-87.2	-2.6	175.7	-81.4	-77.5	0	0	0	113.3	M98 M361	M98-Y363 HydrophobicContact CE-CD2 4.37Å; M98-Y363 HydrophobicContact CE-CE2 3.81Å; M361-Y363 PolarHBondContact O-N 3.14Å
364	N	38.8	Very low	55.1	Low	103 Å²	103	79.4 Å²	79.4	55%	0.551	43%	0.431	S	S	*	.			trans	-152.1	75	-175.4	-81.9	-44.1	0	0	0	113.8	D362 N366	D362-N364 PolarHBondContact OD1-N 3.43Å; D362-N364 VanDerWaalsContact OD1-N 3.15Å; N364-N366 PolarHBondContact O-N 3.44Å
365	L	37	Very low	55.2	Low	144 Å²	144	79 Å²	79	75%	0.754	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-8.7	168.1	-84.1	167.1	0	0	0	114.5	D362	D362-L365 VanDerWaalsContact OD2-CD2 3.26Å; D362-L365 WeakPolarHBondContact OD2-CD2 3.39Å; D362-L365 VanDerWaalsContact OD2-CG 3.25Å; D362-L365 WeakPolarHBondContact OD2-CG 3.06Å
366	N	36.4	Very low	56	Low	141 Å²	141	76.9 Å²	76.9	75%	0.754	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	17.8	-167.5	-72	-18.6	0	0	0	116.2	N364	N364-N366 PolarHBondContact O-N 3.44Å
367	S	35.7	Very low	57.2	Low	45 Å²	45	75.4 Å²	75.4	32%	0.315	41%	0.408	S	S	.	.			trans	-138.4	102	172.3	-179.4	0	0	0	0	112	S369	S367-S369 PolarHBondContact O-N 2.83Å; S367-S369 PolarHBondContact OG-OG 2.88Å
368	S	41.7	Very low	59	Low	139 Å²	139	68.7 Å²	68.7	97%	0.972	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-4.2	173.8	50.4	0	0	0	0	114.2
369	S	44.1	Very low	60.7	Low	106 Å²	106	69.5 Å²	69.5	74%	0.741	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-8	-175.4	58.6	0	0	0	0	114.8	S367	S367-S369 PolarHBondContact O-N 2.83Å; S367-S369 PolarHBondContact OG-OG 2.88Å
370	Q	44.9	Very low	62.9	Low	117 Å²	117	63.8 Å²	63.8	55%	0.547	35%	0.351	S	S	.	.	S	Bend	trans	-102.2	138.5	172.9	-69.4	-165.1	-15.6	0	0	110.9	H372	Q370-H372 PolarHBondContact O-N 2.66Å
371	P	55.4	Low	65	Low	71 Å²	71	63.7 Å²	63.7	46%	0.461	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-58.2	127.7	174.1	20.1	-28	0	0	0	110.1	W105 A109 F373	W105-P371 HydrophobicContact CZ2-CG 4.18Å; W105-P371 WeakPolarHBondContact CZ2-O 3.48Å; W105-P371 PolarHBondContact NE1-O 3.03Å; A109-P371 HydrophobicContact CB-CB 4.38Å; A109-P371 HydrophobicContact CB-CG 3.63Å; P371-F373 PolarHBondContact O-N 3.05Å
372	H	69.1	Low	67.3	Low	69 Å²	69	61.8 Å²	61.8	32%	0.319	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-54.9	127.9	-178	-178.6	75.4	0	0	0	111.5	Y127 V131 D362 Q370 D374	Y127-H372 PolarHBondContact OH-O 2.85Å; V131-H372 HydrophobicContact CG1-CB 4.49Å; D362-H372 IonicContact OD1-CE1 3.69Å; D362-H372 PolarHBondContact OD1-CE1 3.07Å; D362-H372 IonicContact OD1-ND1 3.65Å; D362-H372 IonicContact OD2-CE1 3.87Å; Q370-H372 PolarHBondContact O-N 2.66Å; H372-D374 PolarHBondContact O-N 2.92Å
373	F	82.5	Confident	69.7	Low	22 Å²	22	61.4 Å²	61.4	10%	0.096	34%	0.338	C	S	.	.			trans	-81.6	105.8	171.9	178.1	-89.8	0	0	0	108.2	D101 N102 W105 P371 E375 I378	D101-F373 HydrophobicContact CB-CZ 4.14Å; N102-F373 WeakPolarHBondContact OD1-CE2 3.13Å; W105-F373 HydrophobicContact CB-CD2 3.51Å; W105-F373 HydrophobicContact CB-CE2 3.62Å; W105-F373 AromaticContact CD1-CD2 3.72Å; W105-F373 AromaticContact CD2-CD2 3.84Å; W105-F373 HydrophobicContact CD2-CD2 3.84Å; W105-F373 HydrophobicContact CE3-CD2 4.39Å; W105-F373 AromaticContact CG-CD2 3.41Å; W105-F373 HydrophobicContact CG-CD2 3.41Å; W105-F373 VanDerWaalsContact CG-CD2 3.41Å; W105-F373 HydrophobicContact CG-CE2 4.07Å; W105-F373 HydrophobicContact CG-CG 4.43Å; P371-F373 PolarHBondContact O-N 3.05Å; F373-E375 HydrophobicContact CE1-CB 3.78Å; F373-E375 HydrophobicContact CE1-CG 4.13Å; F373-E375 HydrophobicContact CZ-CB 4.45Å; F373-E375 HydrophobicContact CZ-CG 4.45Å; F373-I378 HydrophobicContact CE2-CG1 4.03Å; F373-I378 HydrophobicContact CZ-CG1 4.36Å
374	D	88.1	Confident	72.1	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	32%	0.32	C	S	.	.			trans	-104.5	104.7	172.5	-175.5	-40.9	0	0	0	108.5	Y127 V131 R134 H372 Q376 C377 I378	Y127-D374 PolarHBondContact OH-N 3.13Å; Y127-D374 VanDerWaalsContact OH-N 3.13Å; V131-D374 HydrophobicContact CG2-CB 4.09Å; R134-D374 IonicContact CZ-OD2 3.13Å; R134-D374 VanDerWaalsContact CZ-OD2 3.29Å; R134-D374 IonicContact NH1-OD1 3.01Å; R134-D374 IonicContact NH1-OD2 3.47Å; R134-D374 PolarHBondContact NH1-OD2 3.01Å; R134-D374 IonicContact NH2-OD2 3.79Å; R134-D374 PolarHBondContact NH2-OD2 3.34Å; H372-D374 PolarHBondContact O-N 2.92Å; D374-Q376 VanDerWaalsContact C-N 3.25Å; D374-Q376 PolarHBondContact O-N 2.99Å; D374-Q376 WeakPolarHBondContact OD1-CA 3.24Å; D374-Q376 WeakPolarHBondContact OD1-CB 3.45Å; D374-Q376 PolarHBondContact OD1-N 2.95Å; D374-C377 HydrophobicContact CB-CB 3.88Å; D374-C377 WeakPolarHBondContact O-CB 3.24Å; D374-C377 PolarHBondContact O-N 2.88Å; D374-C377 VanDerWaalsContact O-N 3.13Å; D374-C377 PolarHBondContact OD1-N 2.98Å; D374-I378 PolarHBondContact O-N 3.11Å
375	E	87.8	Confident	74.8	Confident	17 Å²	17	51.8 Å²	51.8	8%	0.079	29%	0.294	C	S	.	.	H	α-helix	trans	-59.2	-36.5	-177.6	-165.4	-170.7	156.9	0	0	112.8	R94 F373 C377 I378 T379	R94-E375 IonicContact CZ-OE1 3.38Å; R94-E375 IonicContact CZ-OE2 3.1Å; R94-E375 IonicContact NH1-OE1 3.05Å; R94-E375 PolarHBondContact NH1-OE1 2.89Å; R94-E375 IonicContact NH2-OE1 3.73Å; R94-E375 PolarHBondContact NH2-OE1 2.98Å; R94-E375 IonicContact NH2-OE2 3.75Å; R94-E375 PolarHBondContact NH2-OE2 2.7Å; F373-E375 HydrophobicContact CE1-CB 3.78Å; F373-E375 HydrophobicContact CE1-CG 4.13Å; F373-E375 HydrophobicContact CZ-CB 4.45Å; F373-E375 HydrophobicContact CZ-CG 4.45Å; E375-C377 VanDerWaalsContact C-N 3.35Å; E375-I378 PolarHBondContact O-N 3.5Å; E375-T379 PolarHBondContact O-N 3.26Å; E375-T379 PolarHBondContact O-OG1 3.43Å; E375-T379 VanDerWaalsContact O-OG1 3.08Å
376	Q	90	Very high	77.7	Confident	41 Å²	41	45.9 Å²	45.9	19%	0.192	27%	0.265	C	S	.	.	H	α-helix	trans	-69.7	-38.9	179.3	-61.9	175.6	42.1	0	0	110	L354 I359 D374 I378 T379 R380	L354-Q376 HydrophobicContact CD1-CB 3.52Å; L354-Q376 HydrophobicContact CD2-CB 3.88Å; L354-Q376 HydrophobicContact CG-CB 4.35Å; I359-Q376 PolarHBondContact O-NE2 3.28Å; D374-Q376 VanDerWaalsContact C-N 3.25Å; D374-Q376 PolarHBondContact O-N 2.99Å; D374-Q376 WeakPolarHBondContact OD1-CA 3.24Å; D374-Q376 WeakPolarHBondContact OD1-CB 3.45Å; D374-Q376 PolarHBondContact OD1-N 2.95Å; Q376-I378 VanDerWaalsContact C-N 3.34Å; Q376-I378 PolarHBondContact O-N 2.95Å; Q376-T379 WeakPolarHBondContact O-CB 3.49Å; Q376-T379 PolarHBondContact O-N 3Å; Q376-R380 WeakPolarHBondContact O-CG 3.3Å; Q376-R380 PolarHBondContact O-N 3.35Å
377	C	94.3	Very high	80.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.1	-36.7	172.3	-69.9	0	0	0	0	112.5	Y127 C130 V131 D374 E375 R380 L381	Y127-C377 HydrophobicContact CD2-CB 3.87Å; Y127-C377 HydrophobicContact CE2-CB 3.61Å; C130-C377 HydrophobicContact CB-CB 3.72Å; C130-C377 WeakPolarHBondContact CB-SG 3.23Å; C130-C377 WeakPolarHBondContact SG-CA 3.41Å; C130-C377 WeakPolarHBondContact SG-CB 3.48Å; C130-C377 CovalentContact SG-SG 2.04Å; C130-C377 PolarHBondContact SG-SG 3.06Å; V131-C377 HydrophobicContact CG2-CB 4.23Å; D374-C377 HydrophobicContact CB-CB 3.88Å; D374-C377 WeakPolarHBondContact O-CB 3.24Å; D374-C377 PolarHBondContact O-N 2.88Å; D374-C377 VanDerWaalsContact O-N 3.13Å; D374-C377 PolarHBondContact OD1-N 2.98Å; E375-C377 VanDerWaalsContact C-N 3.35Å; C377-R380 PolarHBondContact O-N 3.34Å; C377-L381 WeakPolarHBondContact O-CB 3.35Å; C377-L381 PolarHBondContact O-N 3.36Å
378	I	95.7	Very high	83.4	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64	-41.5	171.1	-65	-63.2	0	0	0	111.1	D101 F104 W105 Y127 F373 D374 E375 Q376 R380 L381 K382	D101-I378 HydrophobicContact CB-CG2 3.72Å; F104-I378 HydrophobicContact CB-CG2 4.47Å; W105-I378 HydrophobicContact CB-CD1 3.82Å; W105-I378 HydrophobicContact CB-CG1 4.37Å; Y127-I378 HydrophobicContact CD2-CD1 3.83Å; Y127-I378 HydrophobicContact CE2-CD1 3.39Å; Y127-I378 HydrophobicContact CE2-CG1 3.78Å; F373-I378 HydrophobicContact CE2-CG1 4.03Å; F373-I378 HydrophobicContact CZ-CG1 4.36Å; D374-I378 PolarHBondContact O-N 3.11Å; E375-I378 PolarHBondContact O-N 3.5Å; Q376-I378 VanDerWaalsContact C-N 3.34Å; Q376-I378 PolarHBondContact O-N 2.95Å; I378-R380 PolarHBondContact O-N 3.47Å; I378-L381 HydrophobicContact CD1-CD2 4.15Å; I378-L381 WeakPolarHBondContact O-CB 3.38Å; I378-L381 PolarHBondContact O-N 2.9Å; I378-L381 VanDerWaalsContact O-N 3.15Å; I378-K382 HydrophobicContact CG2-CG 4.44Å; I378-K382 WeakPolarHBondContact O-CG 3.41Å; I378-K382 PolarHBondContact O-N 3.18Å
379	T	94.1	Very high	86	Confident	66 Å²	66	31.1 Å²	31.1	41%	0.405	17%	0.171	S	C	.	.	H	α-helix	trans	-59.7	-46	175.4	-64.1	0	0	0	0	111.6	E375 Q376 L381 K382 D383	E375-T379 PolarHBondContact O-N 3.26Å; E375-T379 PolarHBondContact O-OG1 3.43Å; E375-T379 VanDerWaalsContact O-OG1 3.08Å; Q376-T379 WeakPolarHBondContact O-CB 3.49Å; Q376-T379 PolarHBondContact O-N 3Å; T379-L381 VanDerWaalsContact C-N 3.32Å; T379-L381 PolarHBondContact O-N 3.34Å; T379-K382 PolarHBondContact O-N 3.03Å; T379-D383 WeakPolarHBondContact O-CB 3.22Å; T379-D383 PolarHBondContact O-N 3.06Å; T379-D383 VanDerWaalsContact O-N 3.08Å
380	R	95.1	Very high	88.5	Confident	22 Å²	22	26.1 Å²	26.1	8%	0.083	14%	0.135	C	C	.	.	H	α-helix	trans	-64.5	-36.4	174.6	-65	-51.2	-52.1	140.1	1.9	112.5	F126 N352 L354 Q376 C377 I378 D383 G384 E477	F126-R380 HydrophobicContact CE1-CB 3.94Å; F126-R380 HydrophobicContact CZ-CB 3.95Å; N352-R380 WeakPolarHBondContact O-CD 3.33Å; N352-R380 PolarHBondContact O-NE 3.13Å; L354-R380 HydrophobicContact CD1-CG 3.88Å; L354-R380 HydrophobicContact CD2-CG 4.06Å; L354-R380 HydrophobicContact CG-CG 3.78Å; Q376-R380 WeakPolarHBondContact O-CG 3.3Å; Q376-R380 PolarHBondContact O-N 3.35Å; C377-R380 PolarHBondContact O-N 3.34Å; I378-R380 PolarHBondContact O-N 3.47Å; R380-D383 IonicContact CZ-OD2 2.62Å; R380-D383 VanDerWaalsContact NH1-CG 3.31Å; R380-D383 IonicContact NH1-OD2 2.79Å; R380-D383 PolarHBondContact NH1-OD2 2.65Å; R380-D383 IonicContact NH2-OD2 3.83Å; R380-D383 PolarHBondContact NH2-OD2 3.09Å; R380-D383 WeakPolarHBondContact O-CB 3.46Å; R380-D383 PolarHBondContact O-N 3.3Å; R380-G384 PolarHBondContact O-N 3.47Å; R380-E477 IonicContact CZ-OE1 2.66Å; R380-E477 IonicContact CZ-OE2 3.68Å; R380-E477 IonicContact NE-OE1 3.47Å; R380-E477 PolarHBondContact NE-OE1 2.73Å; R380-E477 IonicContact NE-OE2 3.31Å; R380-E477 PolarHBondContact NE-OE2 2.67Å; R380-E477 IonicContact NH2-OE1 3.6Å; R380-E477 IonicContact NH2-OE2 3.07Å; R380-E477 PolarHBondContact NH2-OE2 2.86Å
381	L	96.6	Very high	90.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65.6	-46.2	177.7	179.9	66.9	0	0	0	111.5	I108 A123 F126 Y127 C377 I378 T379 D383 G384 F385 L389	I108-L381 HydrophobicContact CB-CD2 4.41Å; I108-L381 HydrophobicContact CD1-CD1 4.49Å; I108-L381 HydrophobicContact CD1-CD2 3.89Å; I108-L381 HydrophobicContact CG1-CD2 3.63Å; I108-L381 HydrophobicContact CG2-CD2 4.29Å; A123-L381 HydrophobicContact CB-CD1 4.02Å; A123-L381 WeakPolarHBondContact O-CD1 3.48Å; F126-L381 HydrophobicContact CD1-CB 4.3Å; F126-L381 HydrophobicContact CD1-CD1 3.79Å; F126-L381 HydrophobicContact CE1-CB 4.32Å; Y127-L381 HydrophobicContact CD2-CD2 4.05Å; Y127-L381 HydrophobicContact CG-CD2 4.34Å; C377-L381 WeakPolarHBondContact O-CB 3.35Å; C377-L381 PolarHBondContact O-N 3.36Å; I378-L381 HydrophobicContact CD1-CD2 4.15Å; I378-L381 WeakPolarHBondContact O-CB 3.38Å; I378-L381 PolarHBondContact O-N 2.9Å; I378-L381 VanDerWaalsContact O-N 3.15Å; T379-L381 VanDerWaalsContact C-N 3.32Å; T379-L381 PolarHBondContact O-N 3.34Å; L381-D383 PolarHBondContact O-N 3.16Å; L381-G384 PolarHBondContact O-N 3.32Å; L381-F385 HydrophobicContact CD1-CD2 3.93Å; L381-F385 PolarHBondContact O-N 2.99Å; L381-L389 HydrophobicContact CD2-CD2 4.45Å; L381-L389 HydrophobicContact CG-CD1 4.15Å
382	K	96.8	Very high	92.9	Very high	26 Å²	26	18.3 Å²	18.3	11%	0.113	9%	0.092	C	C	.	.	H	α-helix	trans	-56.3	-40	171.8	-72.5	-175.2	-64.5	-172.3	0	111.5	E97 D101 F104 I378 T379 P386 L389 F506	E97-K382 IonicContact OE1-NZ 3.47Å; D101-K382 VanDerWaalsContact OD1-CD 3.28Å; D101-K382 WeakPolarHBondContact OD1-CD 3.27Å; D101-K382 WeakPolarHBondContact OD1-CE 3.46Å; D101-K382 IonicContact OD1-NZ 2.72Å; D101-K382 PolarHBondContact OD1-NZ 3.34Å; D101-K382 IonicContact OD2-NZ 3.55Å; D101-K382 PolarHBondContact OD2-NZ 3.09Å; F104-K382 HydrophobicContact CD2-CD 3.99Å; F104-K382 HydrophobicContact CD2-CG 3.9Å; F104-K382 HydrophobicContact CE2-CD 3.93Å; F104-K382 HydrophobicContact CE2-CG 3.98Å; I378-K382 HydrophobicContact CG2-CG 4.44Å; I378-K382 WeakPolarHBondContact O-CG 3.41Å; I378-K382 PolarHBondContact O-N 3.18Å; T379-K382 PolarHBondContact O-N 3.03Å; K382-P386 WeakPolarHBondContact O-CA 3.23Å; K382-P386 VanDerWaalsContact O-CB 3.31Å; K382-P386 WeakPolarHBondContact O-CB 3.49Å; K382-P386 WeakPolarHBondContact O-CD 3.33Å; K382-L389 HydrophobicContact CB-CD1 4.33Å; K382-L389 HydrophobicContact CG-CD1 3.88Å; K382-F506 HydrophobicContact CB-CZ 4.33Å; K382-F506 HydrophobicContact CD-CE2 3.86Å; K382-F506 HydrophobicContact CD-CZ 4.45Å; K382-F506 HydrophobicContact CG-CE2 4.14Å; K382-F506 HydrophobicContact CG-CZ 4.23Å
383	D	94.2	Very high	94.2	Very high	53 Å²	53	15.1 Å²	15.1	28%	0.283	8%	0.077	S	C	.	.	H	α-helix	trans	-70	-38.5	179.2	-167.7	53	0	0	0	112.6	T379 R380 L381 K484	T379-D383 WeakPolarHBondContact O-CB 3.22Å; T379-D383 PolarHBondContact O-N 3.06Å; T379-D383 VanDerWaalsContact O-N 3.08Å; R380-D383 IonicContact CZ-OD2 2.62Å; R380-D383 VanDerWaalsContact NH1-CG 3.31Å; R380-D383 IonicContact NH1-OD2 2.79Å; R380-D383 PolarHBondContact NH1-OD2 2.65Å; R380-D383 IonicContact NH2-OD2 3.83Å; R380-D383 PolarHBondContact NH2-OD2 3.09Å; R380-D383 WeakPolarHBondContact O-CB 3.46Å; R380-D383 PolarHBondContact O-N 3.3Å; L381-D383 PolarHBondContact O-N 3.16Å; D383-K484 WeakPolarHBondContact O-CE 3.43Å; D383-K484 PolarHBondContact O-NZ 2.92Å; D383-K484 IonicContact OD1-NZ 2.74Å; D383-K484 PolarHBondContact OD1-NZ 3.25Å; D383-K484 IonicContact OD2-NZ 3.66Å; D383-K484 PolarHBondContact OD2-NZ 3.1Å
384	G	95.5	Very high	94.9	Very high	5 Å²	5	14.2 Å²	14.2	5%	0.052	7%	0.074	C	C	.	.	H	α-helix	trans	-84.9	-35.8	-176.4	0	0	0	0	0	115.3	R380 L381	R380-G384 PolarHBondContact O-N 3.47Å; L381-G384 PolarHBondContact O-N 3.32Å
385	F	96.9	Very high	95.2	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.009	10%	0.096	C	C	.	.	S	Bend	trans	-127.9	44.7	-174.5	-59.7	-94	0	0	0	112.7	T122 A123 F126 L381 W387 T388 L389 V463 I468 I480	T122-F385 HydrophobicContact CG2-CE1 3.8Å; T122-F385 HydrophobicContact CG2-CZ 4.18Å; A123-F385 HydrophobicContact CB-CB 3.9Å; A123-F385 HydrophobicContact CB-CD1 3.78Å; A123-F385 HydrophobicContact CB-CD2 4.15Å; A123-F385 HydrophobicContact CB-CE1 4.35Å; A123-F385 HydrophobicContact CB-CG 3.66Å; F126-F385 HydrophobicContact CB-CD2 4.33Å; F126-F385 HydrophobicContact CB-CE2 3.46Å; F126-F385 VanDerWaalsContact CB-CE2 3.46Å; F126-F385 HydrophobicContact CB-CZ 3.98Å; F126-F385 HydrophobicContact CD1-CD2 4.19Å; F126-F385 AromaticContact CD1-CE2 3.86Å; F126-F385 HydrophobicContact CD1-CE2 3.86Å; F126-F385 HydrophobicContact CD2-CE2 4.28Å; F126-F385 HydrophobicContact CG-CD2 4.35Å; F126-F385 AromaticContact CG-CE2 3.59Å; F126-F385 HydrophobicContact CG-CE2 3.59Å; F126-F385 HydrophobicContact CG-CZ 4.46Å; L381-F385 HydrophobicContact CD1-CD2 3.93Å; L381-F385 PolarHBondContact O-N 2.99Å; F385-W387 VanDerWaalsContact C-N 3.28Å; F385-W387 PolarHBondContact O-N 3.19Å; F385-T388 PolarHBondContact O-N 2.77Å; F385-L389 WeakPolarHBondContact O-CG 3.23Å; F385-L389 PolarHBondContact O-N 3.11Å; F385-L389 VanDerWaalsContact O-N 3.15Å; F385-V463 HydrophobicContact CD1-CG1 3.91Å; F385-V463 HydrophobicContact CE1-CG1 3.85Å; F385-V463 HydrophobicContact CE1-CG2 3.94Å; F385-V463 HydrophobicContact CZ-CG2 3.91Å; F385-I468 HydrophobicContact CZ-CD1 4.49Å; F385-I468 HydrophobicContact CZ-CG1 4.1Å; F385-I468 HydrophobicContact CZ-CG2 4.49Å; F385-I480 HydrophobicContact CE2-CD1 4.03Å; F385-I480 HydrophobicContact CE2-CG1 4.38Å
386	P	96.3	Very high	95.5	Very high	20 Å²	20	22.2 Å²	22.2	13%	0.13	11%	0.112	C	C	.	.	H	α-helix	trans	-57.7	-40.9	-173.1	22.5	-32.8	0	0	0	112	K382 L389 E390 P504 F506	K382-P386 WeakPolarHBondContact O-CA 3.23Å; K382-P386 VanDerWaalsContact O-CB 3.31Å; K382-P386 WeakPolarHBondContact O-CB 3.49Å; K382-P386 WeakPolarHBondContact O-CD 3.33Å; P386-L389 PolarHBondContact O-N 2.68Å; P386-E390 WeakPolarHBondContact O-CB 3.05Å; P386-E390 PolarHBondContact O-N 3.3Å; P386-P504 HydrophobicContact CB-CB 4.27Å; P386-P504 HydrophobicContact CB-CG 4.44Å; P386-F506 WeakPolarHBondContact O-CE1 3.27Å
387	W	95.7	Very high	95.8	Very high	12 Å²	12	23.5 Å²	23.5	5%	0.045	12%	0.118	C	C	.	.	H	α-helix	trans	-73.9	-36.4	-174	-46.2	133.7	0	0	0	113.3	F385 R391 K457 E458 P500 P504	F385-W387 VanDerWaalsContact C-N 3.28Å; F385-W387 PolarHBondContact O-N 3.19Å; W387-R391 WeakPolarHBondContact O-CB 3.4Å; W387-R391 PolarHBondContact O-N 2.88Å; W387-K457 HydrophobicContact CB-CB 4.08Å; W387-K457 HydrophobicContact CD2-CB 3.78Å; W387-K457 HydrophobicContact CD2-CD 3.8Å; W387-K457 HydrophobicContact CD2-CG 4.42Å; W387-K457 HydrophobicContact CE3-CB 4.28Å; W387-K457 HydrophobicContact CE3-CD 3.53Å; W387-K457 HydrophobicContact CG-CB 3.64Å; W387-K457 HydrophobicContact CH2-CD 4.03Å; W387-K457 HydrophobicContact CZ2-CD 4.25Å; W387-K457 HydrophobicContact CZ3-CD 3.65Å; W387-E458 HydrophobicContact CB-CB 3.79Å; W387-P500 VanDerWaalsContact CZ2-O 3.28Å; W387-P500 WeakPolarHBondContact CZ2-O 3.48Å; W387-P500 PolarHBondContact NE1-O 3.43Å; W387-P504 HydrophobicContact CZ3-CB 4.29Å
388	T	96	Very high	95.9	Very high	4 Å²	4	23.8 Å²	23.8	3%	0.025	12%	0.12	C	C	.	.	H	α-helix	trans	-62.1	-47.1	172.3	-60.2	0	0	0	0	110.2	R119 L120 A123 F385 H392 E458	R119-T388 HydrophobicContact CB-CG2 4.45Å; L120-T388 HydrophobicContact CB-CG2 4.24Å; L120-T388 HydrophobicContact CD1-CG2 4.3Å; A123-T388 HydrophobicContact CB-CG2 4.4Å; F385-T388 PolarHBondContact O-N 2.77Å; T388-H392 PolarHBondContact O-CD2 2.79Å; T388-H392 VanDerWaalsContact O-CD2 3.24Å; T388-H392 PolarHBondContact O-N 2.77Å; T388-E458 WeakPolarHBondContact CA-OE1 3.39Å; T388-E458 VanDerWaalsContact CB-OE1 3.29Å; T388-E458 WeakPolarHBondContact CB-OE1 3.34Å; T388-E458 WeakPolarHBondContact CG2-OE1 3.4Å; T388-E458 PolarHBondContact OG1-OE1 3.11Å
389	L	97.3	Very high	95.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.3	-45.2	177.4	-65.2	-174.7	0	0	0	112.4	F104 I107 I108 L381 K382 F385 P386 R391 H392 Y393 F506	F104-L389 HydrophobicContact CB-CD2 4.5Å; F104-L389 HydrophobicContact CD1-CB 3.93Å; F104-L389 HydrophobicContact CD1-CD1 4.16Å; F104-L389 HydrophobicContact CD1-CD2 3.86Å; F104-L389 HydrophobicContact CD1-CG 4.2Å; F104-L389 HydrophobicContact CD2-CD1 4.14Å; F104-L389 HydrophobicContact CE1-CB 3.57Å; F104-L389 HydrophobicContact CE1-CD1 4.37Å; F104-L389 HydrophobicContact CE1-CD2 4.39Å; F104-L389 HydrophobicContact CE1-CG 4.33Å; F104-L389 HydrophobicContact CE2-CD1 4.32Å; F104-L389 HydrophobicContact CG-CD1 4.06Å; F104-L389 HydrophobicContact CG-CD2 4.28Å; F104-L389 HydrophobicContact CZ-CB 3.94Å; F104-L389 HydrophobicContact CZ-CD1 4.46Å; I107-L389 HydrophobicContact CD1-CD2 4.44Å; I108-L389 HydrophobicContact CD1-CD2 4.38Å; I108-L389 HydrophobicContact CG1-CD2 4.45Å; L381-L389 HydrophobicContact CD2-CD2 4.45Å; L381-L389 HydrophobicContact CG-CD1 4.15Å; K382-L389 HydrophobicContact CB-CD1 4.33Å; K382-L389 HydrophobicContact CG-CD1 3.88Å; F385-L389 WeakPolarHBondContact O-CG 3.23Å; F385-L389 PolarHBondContact O-N 3.11Å; F385-L389 VanDerWaalsContact O-N 3.15Å; P386-L389 PolarHBondContact O-N 2.68Å; L389-R391 VanDerWaalsContact C-N 3.32Å; L389-R391 PolarHBondContact O-N 3.48Å; L389-H392 PolarHBondContact O-N 3.04Å; L389-Y393 WeakPolarHBondContact O-CB 3.42Å; L389-Y393 PolarHBondContact O-N 3.49Å; L389-F506 HydrophobicContact CB-CE1 4.27Å
390	E	97	Very high	96	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-57.5	-44.1	177.9	-178.7	176.6	99	0	0	111.5	P386 H392 Y393 I394 S454 K457 P504 E505 F506	P386-E390 WeakPolarHBondContact O-CB 3.05Å; P386-E390 PolarHBondContact O-N 3.3Å; E390-H392 VanDerWaalsContact C-N 3.3Å; E390-H392 PolarHBondContact O-N 2.91Å; E390-Y393 PolarHBondContact O-N 2.73Å; E390-I394 HydrophobicContact CG-CG1 3.9Å; E390-I394 WeakPolarHBondContact O-CB 3.31Å; E390-I394 VanDerWaalsContact O-CG1 3.3Å; E390-I394 WeakPolarHBondContact O-CG1 3.37Å; E390-I394 PolarHBondContact O-N 2.79Å; E390-S454 WeakPolarHBondContact OE1-CB 3.35Å; E390-K457 IonicContact OE1-NZ 3.8Å; E390-K457 PolarHBondContact OE1-NZ 2.78Å; E390-P504 WeakPolarHBondContact OE2-CA 3.36Å; E390-E505 HydrophobicContact CG-CB 4.47Å; E390-E505 PolarHBondContact OE2-N 3.15Å; E390-F506 HydrophobicContact CB-CD1 3.76Å; E390-F506 HydrophobicContact CB-CE1 4.03Å; E390-F506 HydrophobicContact CG-CD1 4.31Å
391	R	95.6	Very high	96.1	Very high	17 Å²	17	31.3 Å²	31.3	6%	0.064	16%	0.16	C	C	.	.	H	α-helix	trans	-57.5	-43.8	178.4	-174.4	-179.4	70.8	170.6	2.6	112.2	D117 W387 L389 R395 S454 E455 E458	D117-R391 IonicContact OD1-NH2 3.16Å; D117-R391 PolarHBondContact OD1-NH2 3.23Å; D117-R391 IonicContact OD2-CZ 2.68Å; D117-R391 IonicContact OD2-NH2 3.49Å; D117-R391 PolarHBondContact OD2-NH2 3.41Å; W387-R391 WeakPolarHBondContact O-CB 3.4Å; W387-R391 PolarHBondContact O-N 2.88Å; L389-R391 VanDerWaalsContact C-N 3.32Å; L389-R391 PolarHBondContact O-N 3.48Å; R391-R395 WeakPolarHBondContact O-CB 3.33Å; R391-R395 WeakPolarHBondContact O-CD 3.39Å; R391-R395 VanDerWaalsContact O-CG 3.26Å; R391-R395 WeakPolarHBondContact O-CG 3.43Å; R391-R395 PolarHBondContact O-N 3.49Å; R391-S454 VanDerWaalsContact CA-OG 3.32Å; R391-S454 WeakPolarHBondContact CA-OG 3.35Å; R391-E455 HydrophobicContact CG-CB 4.42Å; R391-E458 IonicContact CZ-OE1 3.5Å; R391-E458 IonicContact CZ-OE2 2.74Å; R391-E458 IonicContact NE-OE2 3.79Å; R391-E458 PolarHBondContact NE-OE2 3.27Å; R391-E458 IonicContact NH1-OE2 2.76Å; R391-E458 PolarHBondContact NH1-OE2 3.4Å; R391-E458 IonicContact NH2-OE1 3.81Å; R391-E458 IonicContact NH2-OE2 3.86Å
392	H	96.4	Very high	96.1	Very high	7 Å²	7	32 Å²	32	3%	0.032	16%	0.163	C	C	.	.	H	α-helix	trans	-72.2	-42.2	177.2	-75.3	-71.9	0	0	0	111.8	Y103 I107 Y113 H114 D117 T388 L389 E390 S396	Y103-H392 PolarHBondContact OH-O 3.5Å; I107-H392 HydrophobicContact CD1-CB 3.92Å; Y113-H392 AromaticContact CE1-ND1 3.72Å; H114-H392 AromaticContact CD2-CE1 3.88Å; H114-H392 AromaticContact CG-CE1 3.75Å; D117-H392 IonicContact OD2-CD2 3.67Å; D117-H392 IonicContact OD2-CE1 3.04Å; D117-H392 PolarHBondContact OD2-CE1 3.16Å; D117-H392 IonicContact OD2-NE2 3.78Å; D117-H392 PolarHBondContact OD2-NE2 3.28Å; T388-H392 PolarHBondContact O-CD2 2.79Å; T388-H392 VanDerWaalsContact O-CD2 3.24Å; T388-H392 PolarHBondContact O-N 2.77Å; L389-H392 PolarHBondContact O-N 3.04Å; E390-H392 VanDerWaalsContact C-N 3.3Å; E390-H392 PolarHBondContact O-N 2.91Å; H392-S396 WeakPolarHBondContact O-CB 3.33Å; H392-S396 PolarHBondContact O-N 3.06Å; H392-S396 PolarHBondContact O-OG 3.23Å
393	Y	97.3	Very high	96.1	Very high	3 Å²	3	32.5 Å²	32.5	1%	0.012	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-53.1	179.5	-169.6	-91.7	0	0	0	112.5	V100 Y103 F104 L389 E390 R395 S396 H397 F506 S523	V100-Y393 HydrophobicContact CB-CE2 4.38Å; V100-Y393 HydrophobicContact CG1-CD2 4.37Å; V100-Y393 HydrophobicContact CG1-CE2 4Å; V100-Y393 HydrophobicContact CG2-CE2 4.01Å; Y103-Y393 AromaticContact CD1-CD2 3.57Å; Y103-Y393 HydrophobicContact CD1-CD2 3.57Å; Y103-Y393 HydrophobicContact CD1-CE2 4.21Å; Y103-Y393 AromaticContact CE1-CD2 3.78Å; Y103-Y393 HydrophobicContact CE1-CD2 3.78Å; Y103-Y393 HydrophobicContact CE1-CG 4.41Å; Y103-Y393 HydrophobicContact CG-CD2 4.35Å; F104-Y393 HydrophobicContact CE1-CD2 4.01Å; F104-Y393 HydrophobicContact CE1-CG 4.34Å; F104-Y393 AromaticContact CZ-CD2 3.99Å; F104-Y393 HydrophobicContact CZ-CD2 3.99Å; F104-Y393 HydrophobicContact CZ-CG 4.28Å; L389-Y393 WeakPolarHBondContact O-CB 3.42Å; L389-Y393 PolarHBondContact O-N 3.49Å; E390-Y393 PolarHBondContact O-N 2.73Å; Y393-R395 VanDerWaalsContact C-N 3.33Å; Y393-R395 PolarHBondContact O-N 3.1Å; Y393-S396 PolarHBondContact O-N 3.07Å; Y393-S396 VanDerWaalsContact O-N 3.08Å; Y393-S396 PolarHBondContact O-OG 3.17Å; Y393-H397 HydrophobicContact CD1-CB 4.46Å; Y393-H397 AromaticContact CD2-CE1 3.66Å; Y393-H397 AromaticContact CD2-ND1 3.63Å; Y393-H397 HydrophobicContact CE1-CB 4.04Å; Y393-H397 AromaticContact CE2-CD2 3.92Å; Y393-H397 AromaticContact CE2-CE1 3.55Å; Y393-H397 AromaticContact CE2-CG 3.86Å; Y393-H397 AromaticContact CE2-ND1 3.63Å; Y393-H397 AromaticContact CE2-NE2 3.73Å; Y393-H397 AromaticContact CG-ND1 3.92Å; Y393-H397 AromaticContact CZ-CD2 3.92Å; Y393-H397 AromaticContact CZ-CG 3.74Å; Y393-H397 AromaticContact CZ-ND1 3.95Å; Y393-H397 PolarHBondContact O-N 3.14Å; Y393-H397 PolarHBondContact O-ND1 3.17Å; Y393-F506 HydrophobicContact CD1-CB 3.45Å; Y393-F506 VanDerWaalsContact CD1-CB 3.45Å; Y393-F506 HydrophobicContact CD2-CB 4.27Å; Y393-F506 HydrophobicContact CE1-CB 3.89Å; Y393-F506 HydrophobicContact CG-CB 3.68Å; Y393-S523 WeakPolarHBondContact CE1-OG 3.4Å
394	I	96	Very high	96.3	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.015	17%	0.172	C	C	.	.	H	α-helix	trans	-59.4	-45.7	-177.3	-66.8	-56.9	0	0	0	110.6	E390 S396 V398 Y448 E505 S523	E390-I394 HydrophobicContact CG-CG1 3.9Å; E390-I394 WeakPolarHBondContact O-CB 3.31Å; E390-I394 VanDerWaalsContact O-CG1 3.3Å; E390-I394 WeakPolarHBondContact O-CG1 3.37Å; E390-I394 PolarHBondContact O-N 2.79Å; I394-S396 PolarHBondContact O-N 2.75Å; I394-V398 HydrophobicContact CB-CG2 4.33Å; I394-V398 HydrophobicContact CD1-CG2 3.76Å; I394-V398 HydrophobicContact CG2-CG2 3.93Å; I394-V398 WeakPolarHBondContact O-CG2 3.41Å; I394-V398 PolarHBondContact O-N 2.76Å; I394-Y448 HydrophobicContact CG2-CD1 4.21Å; I394-Y448 HydrophobicContact CG2-CD2 4.49Å; I394-Y448 HydrophobicContact CG2-CG 4.08Å; I394-E505 HydrophobicContact CD1-CB 4.42Å; I394-S523 WeakPolarHBondContact CD1-OG 3.22Å
395	R	94.9	Very high	96.4	Very high	124 Å²	124	35.3 Å²	35.3	47%	0.468	18%	0.18	S	C	.	.	H	α-helix	trans	-63.1	-26.4	178.9	-74.2	176.9	176	165.4	2.3	113.9	R391 Y393 E455	R391-R395 WeakPolarHBondContact O-CB 3.33Å; R391-R395 WeakPolarHBondContact O-CD 3.39Å; R391-R395 VanDerWaalsContact O-CG 3.26Å; R391-R395 WeakPolarHBondContact O-CG 3.43Å; R391-R395 PolarHBondContact O-N 3.49Å; Y393-R395 VanDerWaalsContact C-N 3.33Å; Y393-R395 PolarHBondContact O-N 3.1Å; R395-E455 IonicContact CZ-OE2 3.51Å; R395-E455 IonicContact NH2-OE2 2.66Å; R395-E455 PolarHBondContact NH2-OE2 3.09Å
396	S	94.6	Very high	96.5	Very high	62 Å²	62	35.2 Å²	35.2	43%	0.434	18%	0.18	S	C	.	.	H	α-helix	trans	-97.2	-26	-175.1	50.2	0	0	0	0	114.2	Y103 H392 Y393 I394	Y103-S396 VanDerWaalsContact CZ-OG 3.31Å; Y103-S396 PolarHBondContact OH-OG 3.33Å; H392-S396 WeakPolarHBondContact O-CB 3.33Å; H392-S396 PolarHBondContact O-N 3.06Å; H392-S396 PolarHBondContact O-OG 3.23Å; Y393-S396 PolarHBondContact O-N 3.07Å; Y393-S396 VanDerWaalsContact O-N 3.08Å; Y393-S396 PolarHBondContact O-OG 3.17Å; I394-S396 PolarHBondContact O-N 2.75Å
397	H	95.7	Very high	96.6	Very high	68 Å²	68	36.9 Å²	36.9	32%	0.315	19%	0.187	S	C	.	.	H	α-helix	trans	-113.2	-26.8	-171.1	-64.8	76.6	0	0	0	114.4	Y103 Y393	Y103-H397 AromaticContact CD1-CE1 3.86Å; Y103-H397 AromaticContact CD2-CE1 3.4Å; Y103-H397 WeakPolarHBondContact CD2-CE1 3.42Å; Y103-H397 AromaticContact CD2-NE2 3.95Å; Y103-H397 AromaticContact CE1-CE1 3.99Å; Y103-H397 AromaticContact CE2-CE1 3.53Å; Y103-H397 AromaticContact CG-CE1 3.55Å; Y103-H397 AromaticContact CZ-CE1 3.82Å; Y393-H397 HydrophobicContact CD1-CB 4.46Å; Y393-H397 AromaticContact CD2-CE1 3.66Å; Y393-H397 AromaticContact CD2-ND1 3.63Å; Y393-H397 HydrophobicContact CE1-CB 4.04Å; Y393-H397 AromaticContact CE2-CD2 3.92Å; Y393-H397 AromaticContact CE2-CE1 3.55Å; Y393-H397 AromaticContact CE2-CG 3.86Å; Y393-H397 AromaticContact CE2-ND1 3.63Å; Y393-H397 AromaticContact CE2-NE2 3.73Å; Y393-H397 AromaticContact CG-ND1 3.92Å; Y393-H397 AromaticContact CZ-CD2 3.92Å; Y393-H397 AromaticContact CZ-CG 3.74Å; Y393-H397 AromaticContact CZ-ND1 3.95Å; Y393-H397 PolarHBondContact O-N 3.14Å; Y393-H397 PolarHBondContact O-ND1 3.17Å
398	V	96.4	Very high	96.8	Very high	6 Å²	6	40.4 Å²	40.4	4%	0.036	21%	0.207	C	C	.	.			trans	-137.1	152.9	-170.9	-61.9	0	0	0	0	111.9	I394 L447 Y448 L526	I394-V398 HydrophobicContact CB-CG2 4.33Å; I394-V398 HydrophobicContact CD1-CG2 3.76Å; I394-V398 HydrophobicContact CG2-CG2 3.93Å; I394-V398 WeakPolarHBondContact O-CG2 3.41Å; I394-V398 PolarHBondContact O-N 2.76Å; V398-L447 HydrophobicContact CB-CD1 4.29Å; V398-L447 HydrophobicContact CG1-CD1 4.15Å; V398-Y448 HydrophobicContact CB-CD1 4.23Å; V398-Y448 HydrophobicContact CB-CE1 4.12Å; V398-Y448 HydrophobicContact CG2-CD1 3.5Å; V398-Y448 HydrophobicContact CG2-CE1 3.75Å; V398-L526 HydrophobicContact CG1-CB 4.34Å; V398-L526 HydrophobicContact CG1-CD2 3.72Å
399	N	95.6	Very high	96.9	Very high	57 Å²	57	40.4 Å²	40.4	31%	0.305	21%	0.207	S	C	.	.			trans	-149.8	-178.7	-179.1	62.8	35.9	0	0	0	110	T401 H402 K403 Y448	N399-T401 PolarHBondContact O-N 3.48Å; N399-T401 WeakPolarHBondContact OD1-CA 3.44Å; N399-T401 VanDerWaalsContact OD1-CB 3.23Å; N399-T401 WeakPolarHBondContact OD1-CB 3.49Å; N399-T401 PolarHBondContact OD1-N 3.2Å; N399-H402 VanDerWaalsContact CG-ND1 3.29Å; N399-H402 PolarHBondContact N-ND1 3.09Å; N399-H402 PolarHBondContact ND2-ND1 2.97Å; N399-H402 WeakPolarHBondContact O-CB 3.44Å; N399-H402 PolarHBondContact O-N 2.96Å; N399-H402 PolarHBondContact OD1-N 3.27Å; N399-H402 PolarHBondContact OD1-ND1 3.19Å; N399-K403 PolarHBondContact O-N 3.26Å; N399-Y448 PolarHBondContact O-OH 3.02Å
400	E	95.9	Very high	97	Very high	91 Å²	91	40.6 Å²	40.6	43%	0.425	21%	0.208	S	C	.	.	H	α-helix	trans	-65	-27.7	-176.7	-67.7	-56.5	136.2	0	0	112.8	K403 T404 Y448	E400-K403 PolarHBondContact O-N 3.38Å; E400-T404 VanDerWaalsContact O-CB 3.26Å; E400-T404 WeakPolarHBondContact O-CB 3.23Å; E400-T404 PolarHBondContact O-N 2.98Å; E400-T404 PolarHBondContact O-OG1 3.07Å; E400-Y448 WeakPolarHBondContact CA-OH 3.33Å; E400-Y448 PolarHBondContact N-OH 2.65Å; E400-Y448 VanDerWaalsContact OE1-CE2 3.25Å; E400-Y448 WeakPolarHBondContact OE1-CE2 3.48Å; E400-Y448 VanDerWaalsContact OE1-CZ 3.31Å; E400-Y448 PolarHBondContact OE1-OH 2.71Å
401	T	96.7	Very high	97	Very high	98 Å²	98	43.9 Å²	43.9	60%	0.601	23%	0.225	S	C	*	.	H	α-helix	trans	-64.2	-50.5	174.4	-53.9	0	0	0	0	110.3	N399 K403 T404 E405	N399-T401 PolarHBondContact O-N 3.48Å; N399-T401 WeakPolarHBondContact OD1-CA 3.44Å; N399-T401 VanDerWaalsContact OD1-CB 3.23Å; N399-T401 WeakPolarHBondContact OD1-CB 3.49Å; N399-T401 PolarHBondContact OD1-N 3.2Å; T401-K403 VanDerWaalsContact C-N 3.33Å; T401-K403 PolarHBondContact O-N 2.89Å; T401-T404 PolarHBondContact O-N 3.19Å; T401-E405 PolarHBondContact O-N 2.66Å
402	H	97.5	Very high	97.2	Very high	13 Å²	13	45.4 Å²	45.4	6%	0.06	23%	0.233	C	C	.	.	H	α-helix	trans	-56.8	-46.4	175.5	-67.1	121.7	0	0	0	112.2	N399 T404 E405 V406 L447 L526 Y531 E533	N399-H402 VanDerWaalsContact CG-ND1 3.29Å; N399-H402 PolarHBondContact N-ND1 3.09Å; N399-H402 PolarHBondContact ND2-ND1 2.97Å; N399-H402 WeakPolarHBondContact O-CB 3.44Å; N399-H402 PolarHBondContact O-N 2.96Å; N399-H402 PolarHBondContact OD1-N 3.27Å; N399-H402 PolarHBondContact OD1-ND1 3.19Å; H402-T404 PolarHBondContact O-N 3.16Å; H402-E405 PolarHBondContact O-N 2.73Å; H402-V406 WeakPolarHBondContact O-CG2 3.29Å; H402-V406 PolarHBondContact O-N 3.22Å; H402-V406 VanDerWaalsContact O-N 3.07Å; H402-L447 HydrophobicContact CB-CD1 3.71Å; H402-L526 HydrophobicContact CB-CD2 3.59Å; H402-Y531 AromaticContact CD2-CE1 3.9Å; H402-Y531 PolarHBondContact CD2-OH 3.16Å; H402-E533 IonicContact CE1-OE1 3.45Å; H402-E533 IonicContact NE2-OE1 3.28Å; H402-E533 PolarHBondContact NE2-OE1 3.37Å
403	K	97.5	Very high	97.3	Very high	38 Å²	38	45 Å²	45	17%	0.165	23%	0.231	C	C	.	.	H	α-helix	trans	-61.3	-45	178.2	-179.6	169.3	178.8	170.2	0	111.8	N399 E400 T401 E405 V406 I407 A446 L447 Y448 S449	N399-K403 PolarHBondContact O-N 3.26Å; E400-K403 PolarHBondContact O-N 3.38Å; T401-K403 VanDerWaalsContact C-N 3.33Å; T401-K403 PolarHBondContact O-N 2.89Å; K403-E405 VanDerWaalsContact C-N 3.33Å; K403-E405 PolarHBondContact O-N 2.88Å; K403-V406 PolarHBondContact O-N 2.97Å; K403-I407 HydrophobicContact CG-CD1 3.96Å; K403-I407 VanDerWaalsContact O-CG1 3.29Å; K403-I407 WeakPolarHBondContact O-CG1 3.44Å; K403-I407 PolarHBondContact O-N 3.37Å; K403-A446 HydrophobicContact CG-CB 4.14Å; K403-L447 HydrophobicContact CB-CD1 4.39Å; K403-Y448 HydrophobicContact CB-CE1 4.26Å; K403-Y448 HydrophobicContact CD-CE1 4.33Å; K403-Y448 HydrophobicContact CD-CE2 4.09Å; K403-Y448 PolarHBondContact NZ-O 3.36Å; K403-S449 PolarHBondContact NZ-O 2.94Å
404	T	98.1	Very high	97.4	Very high	69 Å²	69	46 Å²	46	42%	0.423	24%	0.236	S	C	.	.	H	α-helix	trans	-62.7	-41.3	177.8	-61	0	0	0	0	111.3	E400 T401 H402 I407 N408	E400-T404 VanDerWaalsContact O-CB 3.26Å; E400-T404 WeakPolarHBondContact O-CB 3.23Å; E400-T404 PolarHBondContact O-N 2.98Å; E400-T404 PolarHBondContact O-OG1 3.07Å; T401-T404 PolarHBondContact O-N 3.19Å; H402-T404 PolarHBondContact O-N 3.16Å; T404-I407 PolarHBondContact O-N 3.41Å; T404-N408 WeakPolarHBondContact O-CB 3.29Å; T404-N408 PolarHBondContact O-N 2.76Å; T404-N408 PolarHBondContact O-ND2 2.95Å
405	E	98	Very high	97.5	Very high	47 Å²	47	49 Å²	49	22%	0.22	25%	0.254	C	S	.	.	H	α-helix	trans	-62.4	-47.4	177.6	-177.7	164.8	-178.8	0	0	112.2	T401 H402 K403 I407 N408 M409 Y531 K540	T401-E405 PolarHBondContact O-N 2.66Å; H402-E405 PolarHBondContact O-N 2.73Å; K403-E405 VanDerWaalsContact C-N 3.33Å; K403-E405 PolarHBondContact O-N 2.88Å; E405-I407 VanDerWaalsContact C-N 3.34Å; E405-I407 PolarHBondContact O-N 3.19Å; E405-N408 WeakPolarHBondContact O-CB 3.26Å; E405-N408 PolarHBondContact O-N 2.99Å; E405-N408 VanDerWaalsContact O-N 3.15Å; E405-M409 HydrophobicContact CG-SD 4.39Å; E405-M409 WeakPolarHBondContact O-CG 3.32Å; E405-M409 PolarHBondContact O-N 3.3Å; E405-Y531 PolarHBondContact OE2-OH 3.08Å; E405-Y531 VanDerWaalsContact OE2-OH 3.05Å; E405-K540 VanDerWaalsContact OE1-CD 3.23Å; E405-K540 WeakPolarHBondContact OE1-CD 3.45Å; E405-K540 VanDerWaalsContact OE1-CE 3.27Å; E405-K540 WeakPolarHBondContact OE1-CE 3.47Å; E405-K540 IonicContact OE1-NZ 3.78Å; E405-K540 PolarHBondContact OE1-NZ 3.28Å; E405-K540 IonicContact OE2-NZ 3.58Å
406	V	98.4	Very high	97.6	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-57.8	-46.3	175.5	168.7	0	0	0	0	111.6	H402 K403 N408 M409 F410 A446 L447 L521 L526 L544 I548	H402-V406 WeakPolarHBondContact O-CG2 3.29Å; H402-V406 PolarHBondContact O-N 3.22Å; H402-V406 VanDerWaalsContact O-N 3.07Å; K403-V406 PolarHBondContact O-N 2.97Å; V406-N408 VanDerWaalsContact C-N 3.29Å; V406-N408 PolarHBondContact O-N 3.41Å; V406-M409 PolarHBondContact O-N 3.38Å; V406-F410 WeakPolarHBondContact O-CB 3.44Å; V406-F410 PolarHBondContact O-N 2.98Å; V406-A446 HydrophobicContact CB-CB 4.15Å; V406-A446 HydrophobicContact CG1-CB 3.66Å; V406-L447 HydrophobicContact CG2-CD1 4.16Å; V406-L447 HydrophobicContact CG2-CD2 4.17Å; V406-L447 HydrophobicContact CG2-CG 4.18Å; V406-L521 HydrophobicContact CB-CD2 4.29Å; V406-L521 HydrophobicContact CG1-CD2 3.4Å; V406-L521 VanDerWaalsContact CG1-CD2 3.4Å; V406-L521 HydrophobicContact CG2-CD2 3.84Å; V406-L526 HydrophobicContact CG2-CD1 4.3Å; V406-L544 HydrophobicContact CG2-CD2 4.25Å; V406-I548 HydrophobicContact CG1-CD1 4.42Å
407	I	98.6	Very high	97.8	Very high	54 Å²	54	40.8 Å²	40.8	28%	0.277	22%	0.215	S	C	.	.	H	α-helix	trans	-60.7	-41.8	178.1	-70	167	0	0	0	110.4	K403 T404 E405 F410 N411 V444 A446	K403-I407 HydrophobicContact CG-CD1 3.96Å; K403-I407 VanDerWaalsContact O-CG1 3.29Å; K403-I407 WeakPolarHBondContact O-CG1 3.44Å; K403-I407 PolarHBondContact O-N 3.37Å; T404-I407 PolarHBondContact O-N 3.41Å; E405-I407 VanDerWaalsContact C-N 3.34Å; E405-I407 PolarHBondContact O-N 3.19Å; I407-F410 PolarHBondContact O-N 3.23Å; I407-N411 WeakPolarHBondContact CG2-ND2 3.3Å; I407-N411 WeakPolarHBondContact O-CB 3.31Å; I407-N411 VanDerWaalsContact O-CG 3.31Å; I407-N411 PolarHBondContact O-N 3.05Å; I407-N411 PolarHBondContact O-ND2 2.93Å; I407-N411 VanDerWaalsContact O-ND2 3.11Å; I407-V444 HydrophobicContact CG1-CG1 4.17Å; I407-A446 HydrophobicContact CD1-CB 4.23Å; I407-A446 HydrophobicContact CG1-CB 3.7Å
408	N	98.5	Very high	97.9	Very high	87 Å²	87	39.2 Å²	39.2	47%	0.465	21%	0.209	S	C	.	.	H	α-helix	trans	-65.3	-43.7	177.1	-71.3	-21.8	0	0	0	111.8	T404 E405 V406 F410 N411 E412	T404-N408 WeakPolarHBondContact O-CB 3.29Å; T404-N408 PolarHBondContact O-N 2.76Å; T404-N408 PolarHBondContact O-ND2 2.95Å; E405-N408 WeakPolarHBondContact O-CB 3.26Å; E405-N408 PolarHBondContact O-N 2.99Å; E405-N408 VanDerWaalsContact O-N 3.15Å; V406-N408 VanDerWaalsContact C-N 3.29Å; V406-N408 PolarHBondContact O-N 3.41Å; N408-F410 PolarHBondContact O-N 3.05Å; N408-N411 PolarHBondContact O-N 2.88Å; N408-E412 WeakPolarHBondContact O-CB 3.46Å; N408-E412 VanDerWaalsContact O-CG 3.31Å; N408-E412 WeakPolarHBondContact O-CG 3.39Å; N408-E412 PolarHBondContact O-N 2.98Å
409	M	98.7	Very high	98	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.02	23%	0.23	C	C	.	.	H	α-helix	trans	-57.6	-48.8	174.8	-70	177.6	70	0	0	111.4	E405 V406 N411 E412 I413 K540 Y541 L544 I548	E405-M409 HydrophobicContact CG-SD 4.39Å; E405-M409 WeakPolarHBondContact O-CG 3.32Å; E405-M409 PolarHBondContact O-N 3.3Å; V406-M409 PolarHBondContact O-N 3.38Å; M409-N411 PolarHBondContact O-N 3.43Å; M409-E412 PolarHBondContact O-N 2.84Å; M409-I413 WeakPolarHBondContact O-CD1 3.11Å; M409-I413 VanDerWaalsContact O-CG1 3.24Å; M409-I413 WeakPolarHBondContact O-CG1 3.49Å; M409-I413 PolarHBondContact O-N 3.5Å; M409-K540 HydrophobicContact CE-CB 4.33Å; M409-K540 WeakPolarHBondContact CE-O 3.19Å; M409-Y541 HydrophobicContact CE-CE2 4.47Å; M409-Y541 HydrophobicContact CG-CE2 4.35Å; M409-L544 HydrophobicContact CE-CB 4.08Å; M409-L544 HydrophobicContact CE-CD2 4.18Å; M409-L544 HydrophobicContact CE-CG 4Å; M409-L544 HydrophobicContact SD-CD2 3.96Å; M409-L544 HydrophobicContact SD-CG 4.39Å; M409-I548 HydrophobicContact CB-CD1 4.02Å
410	F	98.8	Very high	98	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.018	23%	0.227	C	C	.	.	H	α-helix	trans	-56.2	-48.6	175.6	167.3	-104.3	0	0	0	112.5	V406 I407 N408 E412 I413 K414 M442 V444 I519 I548 I552	V406-F410 WeakPolarHBondContact O-CB 3.44Å; V406-F410 PolarHBondContact O-N 2.98Å; I407-F410 PolarHBondContact O-N 3.23Å; N408-F410 PolarHBondContact O-N 3.05Å; F410-E412 PolarHBondContact O-N 2.56Å; F410-I413 PolarHBondContact O-N 3.29Å; F410-K414 HydrophobicContact CD1-CD 3.97Å; F410-K414 HydrophobicContact CD2-CD 4.34Å; F410-K414 HydrophobicContact CD2-CG 4.49Å; F410-K414 HydrophobicContact CE1-CD 3.35Å; F410-K414 HydrophobicContact CE1-CG 4.43Å; F410-K414 HydrophobicContact CE2-CD 3.74Å; F410-K414 HydrophobicContact CE2-CG 4.13Å; F410-K414 HydrophobicContact CG-CD 4.45Å; F410-K414 HydrophobicContact CZ-CD 3.25Å; F410-K414 HydrophobicContact CZ-CG 4.14Å; F410-K414 WeakPolarHBondContact O-CG 3.47Å; F410-K414 PolarHBondContact O-N 3.49Å; F410-M442 HydrophobicContact CE2-CG 4.18Å; F410-M442 HydrophobicContact CE2-SD 3.82Å; F410-M442 HydrophobicContact CZ-CB 4.23Å; F410-M442 HydrophobicContact CZ-CG 3.95Å; F410-M442 WeakPolarHBondContact CZ-O 3.47Å; F410-M442 HydrophobicContact CZ-SD 4.17Å; F410-V444 HydrophobicContact CB-CB 4.43Å; F410-V444 HydrophobicContact CB-CG1 4.06Å; F410-V444 HydrophobicContact CD1-CB 3.8Å; F410-V444 HydrophobicContact CD1-CG1 3.39Å; F410-V444 HydrophobicContact CD2-CB 4Å; F410-V444 HydrophobicContact CD2-CG1 4.4Å; F410-V444 HydrophobicContact CD2-CG2 4.47Å; F410-V444 HydrophobicContact CE1-CB 3.89Å; F410-V444 HydrophobicContact CE1-CG1 3.79Å; F410-V444 HydrophobicContact CE2-CB 4.12Å; F410-V444 HydrophobicContact CG-CB 3.82Å; F410-V444 HydrophobicContact CG-CG1 3.7Å; F410-V444 HydrophobicContact CG-CG2 4.41Å; F410-V444 HydrophobicContact CZ-CB 4.03Å; F410-V444 HydrophobicContact CZ-CG1 4.43Å; F410-I519 HydrophobicContact CD2-CD1 4.17Å; F410-I519 HydrophobicContact CE2-CD1 3.81Å; F410-I548 HydrophobicContact CB-CG2 4.01Å; F410-I548 HydrophobicContact CD2-CG2 3.97Å; F410-I552 HydrophobicContact CD2-CD1 3.83Å; F410-I552 HydrophobicContact CD2-CG1 4.13Å; F410-I552 HydrophobicContact CE2-CD1 4.03Å; F410-I552 HydrophobicContact CE2-CG1 3.96Å
411	N	98.7	Very high	98	Very high	68 Å²	68	37.9 Å²	37.9	36%	0.364	21%	0.207	S	C	.	.	H	α-helix	trans	-64.4	-41.5	179.8	-74.7	-36.1	0	0	0	112.2	I407 N408 M409 K414 V415	I407-N411 WeakPolarHBondContact CG2-ND2 3.3Å; I407-N411 WeakPolarHBondContact O-CB 3.31Å; I407-N411 VanDerWaalsContact O-CG 3.31Å; I407-N411 PolarHBondContact O-N 3.05Å; I407-N411 PolarHBondContact O-ND2 2.93Å; I407-N411 VanDerWaalsContact O-ND2 3.11Å; N408-N411 PolarHBondContact O-N 2.88Å; M409-N411 PolarHBondContact O-N 3.43Å; N411-K414 WeakPolarHBondContact O-CB 3.45Å; N411-K414 PolarHBondContact O-N 2.99Å; N411-V415 WeakPolarHBondContact O-CG2 3.46Å; N411-V415 PolarHBondContact O-N 2.99Å
412	E	98.7	Very high	97.9	Very high	49 Å²	49	36.1 Å²	36.1	23%	0.229	20%	0.197	C	C	.	.	H	α-helix	trans	-64.4	-41.3	176.9	-71.1	-69.4	167.1	0	0	111.1	N408 M409 F410 V415 T416 T625 R628 L629	N408-E412 WeakPolarHBondContact O-CB 3.46Å; N408-E412 VanDerWaalsContact O-CG 3.31Å; N408-E412 WeakPolarHBondContact O-CG 3.39Å; N408-E412 PolarHBondContact O-N 2.98Å; M409-E412 PolarHBondContact O-N 2.84Å; F410-E412 PolarHBondContact O-N 2.56Å; E412-V415 PolarHBondContact O-N 3.46Å; E412-T416 PolarHBondContact O-N 3.13Å; E412-T416 VanDerWaalsContact O-N 3.14Å; E412-T416 PolarHBondContact O-OG1 3.06Å; E412-T625 HydrophobicContact CB-CG2 3.73Å; E412-R628 PolarHBondContact O-NH2 2.91Å; E412-R628 IonicContact OE2-CZ 3.75Å; E412-R628 IonicContact OE2-NE 2.79Å; E412-R628 IonicContact OE2-NH2 2.97Å; E412-R628 PolarHBondContact OE2-NH2 3.39Å; E412-L629 HydrophobicContact CB-CD1 4.17Å; E412-L629 HydrophobicContact CG-CD1 4.17Å; E412-L629 HydrophobicContact CG-CD2 4.1Å; E412-L629 WeakPolarHBondContact OE2-CD2 3.46Å
413	I	98.8	Very high	97.8	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64	-44.4	175.9	-64.9	161.6	0	0	0	110.8	M409 F410 V415 T416 I417 Y541 G545 I548 I552 T625	M409-I413 WeakPolarHBondContact O-CD1 3.11Å; M409-I413 VanDerWaalsContact O-CG1 3.24Å; M409-I413 WeakPolarHBondContact O-CG1 3.49Å; M409-I413 PolarHBondContact O-N 3.5Å; F410-I413 PolarHBondContact O-N 3.29Å; I413-V415 VanDerWaalsContact C-N 3.29Å; I413-V415 PolarHBondContact O-N 2.93Å; I413-T416 WeakPolarHBondContact O-CA 3.42Å; I413-T416 WeakPolarHBondContact O-CB 3.15Å; I413-T416 PolarHBondContact O-N 2.92Å; I413-I417 HydrophobicContact CG2-CD1 3.61Å; I413-I417 HydrophobicContact CG2-CG1 4.31Å; I413-I417 WeakPolarHBondContact O-CG1 3.46Å; I413-I417 PolarHBondContact O-N 3.17Å; I413-Y541 HydrophobicContact CD1-CD1 4.46Å; I413-Y541 HydrophobicContact CD1-CE1 4.21Å; I413-Y541 HydrophobicContact CG1-CD1 4.37Å; I413-Y541 HydrophobicContact CG1-CE1 3.95Å; I413-G545 VanDerWaalsContact CD1-O 3.25Å; I413-G545 WeakPolarHBondContact CD1-O 3.39Å; I413-I548 HydrophobicContact CD1-CB 3.9Å; I413-I548 HydrophobicContact CD1-CG2 3.77Å; I413-I552 HydrophobicContact CB-CD1 3.98Å; I413-I552 HydrophobicContact CG2-CD1 3.55Å; I413-T625 HydrophobicContact CG1-CG2 4.02Å
414	K	98.4	Very high	97.5	Very high	23 Å²	23	41.2 Å²	41.2	10%	0.1	22%	0.219	C	C	.	.	H	α-helix	trans	-53.2	-46	173.7	-81.5	178.5	49.7	167.1	0	112.1	F410 N411 T416 I417 I418 V439 S440 M442 I552	F410-K414 HydrophobicContact CD1-CD 3.97Å; F410-K414 HydrophobicContact CD2-CD 4.34Å; F410-K414 HydrophobicContact CD2-CG 4.49Å; F410-K414 HydrophobicContact CE1-CD 3.35Å; F410-K414 HydrophobicContact CE1-CG 4.43Å; F410-K414 HydrophobicContact CE2-CD 3.74Å; F410-K414 HydrophobicContact CE2-CG 4.13Å; F410-K414 HydrophobicContact CG-CD 4.45Å; F410-K414 HydrophobicContact CZ-CD 3.25Å; F410-K414 HydrophobicContact CZ-CG 4.14Å; F410-K414 WeakPolarHBondContact O-CG 3.47Å; F410-K414 PolarHBondContact O-N 3.49Å; N411-K414 WeakPolarHBondContact O-CB 3.45Å; N411-K414 PolarHBondContact O-N 2.99Å; K414-T416 VanDerWaalsContact C-N 3.29Å; K414-T416 PolarHBondContact O-N 3.29Å; K414-I417 PolarHBondContact O-N 3.12Å; K414-I418 WeakPolarHBondContact O-CB 3.49Å; K414-I418 WeakPolarHBondContact O-CD1 3.25Å; K414-I418 VanDerWaalsContact O-CG1 3.24Å; K414-I418 WeakPolarHBondContact O-CG1 3.4Å; K414-I418 PolarHBondContact O-N 2.86Å; K414-V439 HydrophobicContact CB-CG1 4.23Å; K414-V439 WeakPolarHBondContact CE-O 3.28Å; K414-V439 HydrophobicContact CG-CG1 3.96Å; K414-V439 PolarHBondContact NZ-O 3.48Å; K414-S440 PolarHBondContact NZ-O 3.47Å; K414-M442 PolarHBondContact NZ-O 3.31Å; K414-I552 HydrophobicContact CG-CD1 4.1Å
415	V	98.5	Very high	97.1	Very high	65 Å²	65	47 Å²	47	39%	0.394	24%	0.238	S	C	.	.	H	α-helix	trans	-60	-41.6	177.7	174.4	0	0	0	0	110.8	N411 E412 I413 N419	N411-V415 WeakPolarHBondContact O-CG2 3.46Å; N411-V415 PolarHBondContact O-N 2.99Å; E412-V415 PolarHBondContact O-N 3.46Å; I413-V415 VanDerWaalsContact C-N 3.29Å; I413-V415 PolarHBondContact O-N 2.93Å; V415-N419 WeakPolarHBondContact CG1-ND2 3.23Å; V415-N419 VanDerWaalsContact O-CB 3.3Å; V415-N419 WeakPolarHBondContact O-CB 3.43Å; V415-N419 PolarHBondContact O-N 2.7Å; V415-N419 VanDerWaalsContact O-N 3.08Å; V415-N419 PolarHBondContact O-ND2 3.29Å; V415-N419 VanDerWaalsContact O-ND2 3.11Å
416	T	98.5	Very high	96.7	Very high	14 Å²	14	47.7 Å²	47.7	9%	0.086	24%	0.239	C	C	.	.	H	α-helix	trans	-61.9	-45.6	177.4	-57.8	0	0	0	0	112	E412 I413 K414 N419 S420 T625 R628	E412-T416 PolarHBondContact O-N 3.13Å; E412-T416 VanDerWaalsContact O-N 3.14Å; E412-T416 PolarHBondContact O-OG1 3.06Å; I413-T416 WeakPolarHBondContact O-CA 3.42Å; I413-T416 WeakPolarHBondContact O-CB 3.15Å; I413-T416 PolarHBondContact O-N 2.92Å; K414-T416 VanDerWaalsContact C-N 3.29Å; K414-T416 PolarHBondContact O-N 3.29Å; T416-N419 PolarHBondContact O-N 3.4Å; T416-S420 PolarHBondContact O-N 3.34Å; T416-T625 WeakPolarHBondContact CB-OG1 3.47Å; T416-T625 WeakPolarHBondContact OG1-CA 3.39Å; T416-T625 WeakPolarHBondContact OG1-CB 3.21Å; T416-T625 PolarHBondContact OG1-OG1 3.4Å; T416-R628 VanDerWaalsContact N-NH1 3.16Å; T416-R628 VanDerWaalsContact OG1-CZ 3.29Å; T416-R628 PolarHBondContact OG1-NH1 3.31Å; T416-R628 PolarHBondContact OG1-NH2 3.45Å
417	I	98.2	Very high	96.3	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-66.8	-46.3	-179.6	-64	162.8	0	0	0	110.9	I413 K414 N419 S420 I421 V439 I552 M553 I556 A621	I413-I417 HydrophobicContact CG2-CD1 3.61Å; I413-I417 HydrophobicContact CG2-CG1 4.31Å; I413-I417 WeakPolarHBondContact O-CG1 3.46Å; I413-I417 PolarHBondContact O-N 3.17Å; K414-I417 PolarHBondContact O-N 3.12Å; I417-N419 PolarHBondContact O-N 3.2Å; I417-S420 PolarHBondContact O-N 3.07Å; I417-S420 PolarHBondContact O-OG 3.4Å; I417-I421 HydrophobicContact CG2-CD1 4.35Å; I417-I421 WeakPolarHBondContact O-CG1 3.45Å; I417-I421 PolarHBondContact O-N 2.93Å; I417-I421 VanDerWaalsContact O-N 3.08Å; I417-V439 HydrophobicContact CB-CG1 4.43Å; I417-V439 HydrophobicContact CG2-CG1 4.2Å; I417-V439 HydrophobicContact CG2-CG2 4.11Å; I417-I552 HydrophobicContact CD1-CB 3.85Å; I417-I552 HydrophobicContact CD1-CD1 4.04Å; I417-I552 HydrophobicContact CD1-CG2 3.38Å; I417-M553 HydrophobicContact CB-CE 4.29Å; I417-M553 HydrophobicContact CD1-CE 3.13Å; I417-M553 HydrophobicContact CG1-CE 3.43Å; I417-M553 VanDerWaalsContact CG1-CE 3.43Å; I417-M553 HydrophobicContact CG2-CE 3.88Å; I417-I556 HydrophobicContact CG2-CD1 3.78Å; I417-A621 HydrophobicContact CD1-CB 4.32Å; I417-A621 HydrophobicContact CG1-CB 3.76Å
418	I	98.2	Very high	95.9	Very high	35 Å²	35	48.2 Å²	48.2	18%	0.179	24%	0.242	C	C	.	.	H	α-helix	trans	-58	-37.5	177.4	-70.9	163.1	0	0	0	111.2	K414 P422 K436 V439 S440	K414-I418 WeakPolarHBondContact O-CB 3.49Å; K414-I418 WeakPolarHBondContact O-CD1 3.25Å; K414-I418 VanDerWaalsContact O-CG1 3.24Å; K414-I418 WeakPolarHBondContact O-CG1 3.4Å; K414-I418 PolarHBondContact O-N 2.86Å; I418-P422 VanDerWaalsContact O-CD 3.31Å; I418-P422 WeakPolarHBondContact O-CD 3.48Å; I418-K436 HydrophobicContact CG2-CG 4.37Å; I418-V439 HydrophobicContact CD1-CG1 4.12Å; I418-V439 HydrophobicContact CG1-CB 4.11Å; I418-V439 HydrophobicContact CG1-CG1 3.8Å; I418-S440 VanDerWaalsContact CD1-OG 3.31Å; I418-S440 WeakPolarHBondContact CD1-OG 3.46Å
419	N	97.3	Very high	95.5	Very high	93 Å²	93	49.6 Å²	49.6	50%	0.497	25%	0.25	S	C	.	.	H	α-helix	trans	-78.3	-18.1	178.2	-70.4	-23.3	0	0	0	113.8	V415 T416 I417	V415-N419 WeakPolarHBondContact CG1-ND2 3.23Å; V415-N419 VanDerWaalsContact O-CB 3.3Å; V415-N419 WeakPolarHBondContact O-CB 3.43Å; V415-N419 PolarHBondContact O-N 2.7Å; V415-N419 VanDerWaalsContact O-N 3.08Å; V415-N419 PolarHBondContact O-ND2 3.29Å; V415-N419 VanDerWaalsContact O-ND2 3.11Å; T416-N419 PolarHBondContact O-N 3.4Å; I417-N419 PolarHBondContact O-N 3.2Å
420	S	96.2	Very high	95.1	Very high	33 Å²	33	53.1 Å²	53.1	23%	0.231	27%	0.266	C	S	.	.	H	α-helix	trans	-84.5	-33.6	173.8	69.6	0	0	0	0	112.4	T416 I417 P422 K423	T416-S420 PolarHBondContact O-N 3.34Å; I417-S420 PolarHBondContact O-N 3.07Å; I417-S420 PolarHBondContact O-OG 3.4Å; S420-P422 VanDerWaalsContact O-N 3.17Å; S420-K423 VanDerWaalsContact O-CB 3.26Å; S420-K423 WeakPolarHBondContact O-CB 3.41Å; S420-K423 PolarHBondContact O-N 2.95Å
421	I	95.8	Very high	94.7	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-49.4	-42.7	-178	-69.4	164.3	0	0	0	115.1	I417 K423 I424 R432 M435 K436 V439 W715	I417-I421 HydrophobicContact CG2-CD1 4.35Å; I417-I421 WeakPolarHBondContact O-CG1 3.45Å; I417-I421 PolarHBondContact O-N 2.93Å; I417-I421 VanDerWaalsContact O-N 3.08Å; I421-K423 PolarHBondContact O-N 3.36Å; I421-K423 VanDerWaalsContact O-N 3.09Å; I421-I424 HydrophobicContact CB-CD1 4.35Å; I421-I424 HydrophobicContact CG1-CD1 4.29Å; I421-I424 HydrophobicContact CG2-CD1 4.38Å; I421-I424 WeakPolarHBondContact O-CB 3.35Å; I421-I424 WeakPolarHBondContact O-CG1 3.18Å; I421-I424 PolarHBondContact O-N 2.64Å; I421-I424 VanDerWaalsContact O-N 3.16Å; I421-R432 HydrophobicContact CG2-CB 3.76Å; I421-R432 HydrophobicContact CG2-CG 4.07Å; I421-R432 WeakPolarHBondContact CG2-O 3.19Å; I421-M435 HydrophobicContact CD1-CB 3.83Å; I421-M435 HydrophobicContact CG1-CB 4.44Å; I421-M435 HydrophobicContact CG2-CB 4.36Å; I421-K436 HydrophobicContact CB-CG 4.07Å; I421-K436 HydrophobicContact CD1-CB 4.49Å; I421-K436 HydrophobicContact CD1-CG 3.85Å; I421-K436 HydrophobicContact CG2-CG 3.88Å; I421-V439 HydrophobicContact CD1-CG2 4.49Å; I421-W715 HydrophobicContact CG1-CZ3 4.44Å
422	P	95.4	Very high	94.4	Very high	61 Å²	61	52.3 Å²	52.3	40%	0.396	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-57.4	-24.2	176.3	-20.6	28	0	0	0	114.6	I418 S420 I424	I418-P422 VanDerWaalsContact O-CD 3.31Å; I418-P422 WeakPolarHBondContact O-CD 3.48Å; S420-P422 VanDerWaalsContact O-N 3.17Å; P422-I424 VanDerWaalsContact C-N 3.31Å
423	K	93.7	Very high	94.2	Very high	156 Å²	156	55 Å²	55	68%	0.678	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-83.5	-9.3	-175.6	-54.3	178.3	-176.3	176.9	0	112.3	S420 I421 K425	S420-K423 VanDerWaalsContact O-CB 3.26Å; S420-K423 WeakPolarHBondContact O-CB 3.41Å; S420-K423 PolarHBondContact O-N 2.95Å; I421-K423 PolarHBondContact O-N 3.36Å; I421-K423 VanDerWaalsContact O-N 3.09Å; K423-K425 PolarHBondContact O-N 2.72Å
424	I	91.4	Very high	93.9	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.01	28%	0.278	C	S	.	.			trans	-75.5	87.1	178.8	-51.8	169.2	0	0	0	109.4	I421 P422 W426 L427 R432 W715	I421-I424 HydrophobicContact CB-CD1 4.35Å; I421-I424 HydrophobicContact CG1-CD1 4.29Å; I421-I424 HydrophobicContact CG2-CD1 4.38Å; I421-I424 WeakPolarHBondContact O-CB 3.35Å; I421-I424 WeakPolarHBondContact O-CG1 3.18Å; I421-I424 PolarHBondContact O-N 2.64Å; I421-I424 VanDerWaalsContact O-N 3.16Å; P422-I424 VanDerWaalsContact C-N 3.31Å; I424-W426 VanDerWaalsContact C-N 3.31Å; I424-W426 HydrophobicContact CG2-CD2 3.84Å; I424-W426 HydrophobicContact CG2-CG 4.18Å; I424-W426 HydrophobicContact CG2-CH2 4.26Å; I424-W426 HydrophobicContact CG2-CZ2 3.6Å; I424-W426 PolarHBondContact O-N 2.88Å; I424-L427 HydrophobicContact CB-CB 4.31Å; I424-L427 HydrophobicContact CG2-CB 3.69Å; I424-L427 PolarHBondContact O-N 3.48Å; I424-R432 PolarHBondContact O-NE 2.63Å; I424-R432 PolarHBondContact O-NH2 3.25Å; I424-R432 VanDerWaalsContact O-NH2 3.08Å; I424-W715 HydrophobicContact CD1-CD2 4.18Å; I424-W715 HydrophobicContact CD1-CE3 3.2Å; I424-W715 HydrophobicContact CD1-CH2 4.24Å; I424-W715 HydrophobicContact CD1-CZ3 3.23Å; I424-W715 HydrophobicContact CG1-CE3 4.21Å
425	K	89.5	Confident	93.7	Very high	189 Å²	189	55.7 Å²	55.7	82%	0.822	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-33.9	-173.1	-64.8	-177.4	-177.9	177.4	0	113.6	K423 L427 R432	K423-K425 PolarHBondContact O-N 2.72Å; K425-L427 VanDerWaalsContact C-N 3.3Å; K425-L427 PolarHBondContact O-N 3.2Å; K425-R432 PolarHBondContact O-NH2 2.98Å
426	W	90.8	Very high	93.6	Very high	63 Å²	63	56 Å²	56	24%	0.239	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-14.9	-176.3	60	-102.9	0	0	0	113.5	I424 L581 I582 K585 V714	I424-W426 VanDerWaalsContact C-N 3.31Å; I424-W426 HydrophobicContact CG2-CD2 3.84Å; I424-W426 HydrophobicContact CG2-CG 4.18Å; I424-W426 HydrophobicContact CG2-CH2 4.26Å; I424-W426 HydrophobicContact CG2-CZ2 3.6Å; I424-W426 PolarHBondContact O-N 2.88Å; W426-L581 HydrophobicContact CE3-CB 4.1Å; W426-L581 HydrophobicContact CZ3-CB 3.79Å; W426-I582 HydrophobicContact CH2-CG1 3.67Å; W426-I582 HydrophobicContact CZ3-CG1 4.29Å; W426-K585 HydrophobicContact CD2-CD 4.41Å; W426-K585 HydrophobicContact CD2-CG 4.05Å; W426-K585 HydrophobicContact CE3-CG 4.41Å; W426-K585 HydrophobicContact CG-CD 4.35Å; W426-K585 VanDerWaalsContact CG-CE 3.46Å; W426-K585 HydrophobicContact CG-CG 4.5Å; W426-K585 HydrophobicContact CZ2-CG 4.15Å; W426-V714 PolarHBondContact NE1-O 2.75Å
427	L	89.5	Confident	93.4	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.01	28%	0.281	C	S	.	.	S	Bend	trans	-91.7	137.7	175.7	-170.8	68	0	0	0	110	I424 K425 R432 M435	I424-L427 HydrophobicContact CB-CB 4.31Å; I424-L427 HydrophobicContact CG2-CB 3.69Å; I424-L427 PolarHBondContact O-N 3.48Å; K425-L427 VanDerWaalsContact C-N 3.3Å; K425-L427 PolarHBondContact O-N 3.2Å; L427-R432 HydrophobicContact CB-CG 4.26Å; L427-R432 HydrophobicContact CD2-CB 4.5Å; L427-R432 HydrophobicContact CD2-CG 3.89Å; L427-R432 HydrophobicContact CG-CG 4.18Å; L427-R432 PolarHBondContact O-NE 2.68Å; L427-R432 PolarHBondContact O-NH2 3.37Å; L427-M435 HydrophobicContact CD1-CE 4.33Å; L427-M435 HydrophobicContact CD2-CE 3.56Å; L427-M435 HydrophobicContact CD2-CG 4.4Å; L427-M435 HydrophobicContact CD2-SD 3.24Å; L427-M435 WeakPolarHBondContact CD2-SD 3.43Å
428	N	89.9	Confident	93.3	Very high	63 Å²	63	58.8 Å²	58.8	34%	0.337	28%	0.282	S	S	.	.			trans	-71.9	165.7	176.9	68	11.9	0	0	0	112.1	E430 G431 R432	N428-E430 VanDerWaalsContact C-N 3.31Å; N428-E430 PolarHBondContact O-N 2.94Å; N428-G431 PolarHBondContact O-N 3.12Å; N428-G431 WeakPolarHBondContact OD1-CA 3.02Å; N428-G431 PolarHBondContact OD1-N 3.49Å; N428-R432 WeakPolarHBondContact O-CG 3.12Å; N428-R432 PolarHBondContact O-N 2.93Å
429	D	91.2	Very high	93.3	Very high	117 Å²	117	57.1 Å²	57.1	63%	0.626	27%	0.273	S	S	*	.	H	α-helix	trans	-63.2	-35.4	-174.1	-70	-30.8	0	0	0	113.4	R432 K433	D429-R432 PolarHBondContact O-N 2.66Å; D429-R432 IonicContact OD1-CZ 2.93Å; D429-R432 IonicContact OD1-NH1 3.84Å; D429-R432 PolarHBondContact OD1-NH1 3.42Å; D429-K433 WeakPolarHBondContact O-CB 3.37Å; D429-K433 PolarHBondContact O-N 3.48Å
430	E	89.3	Confident	93.3	Very high	77 Å²	77	55.4 Å²	55.4	36%	0.36	27%	0.269	S	S	.	.	H	α-helix	trans	-66.7	-43.3	176.2	-171.9	56.3	-152.5	0	0	111.3	N428 R432 K433 L434	N428-E430 VanDerWaalsContact C-N 3.31Å; N428-E430 PolarHBondContact O-N 2.94Å; E430-R432 PolarHBondContact O-N 2.98Å; E430-K433 PolarHBondContact O-N 3.28Å; E430-K433 IonicContact OE2-NZ 2.66Å; E430-L434 HydrophobicContact CG-CD1 3.98Å; E430-L434 WeakPolarHBondContact O-CB 3.48Å; E430-L434 VanDerWaalsContact O-CG 3.26Å; E430-L434 WeakPolarHBondContact O-CG 3.48Å; E430-L434 PolarHBondContact O-N 3.5Å
431	G	90.3	Very high	93.3	Very high	3 Å²	3	57.4 Å²	57.4	3%	0.031	28%	0.277	C	S	.	.	H	α-helix	trans	-58.5	-46.4	173.5	0	0	0	0	0	112.3	N428 K433 L434 M435	N428-G431 PolarHBondContact O-N 3.12Å; N428-G431 WeakPolarHBondContact OD1-CA 3.02Å; N428-G431 PolarHBondContact OD1-N 3.49Å; G431-K433 PolarHBondContact O-N 3.07Å; G431-L434 PolarHBondContact O-N 3.48Å; G431-M435 WeakPolarHBondContact O-CG 3.43Å; G431-M435 PolarHBondContact O-N 3.19Å
432	R	93.7	Very high	93.4	Very high	53 Å²	53	57.4 Å²	57.4	20%	0.2	28%	0.277	C	S	.	.	H	α-helix	trans	-61	-44	176.4	-67.9	178.1	-161	149.3	1.2	111.9	I421 I424 K425 L427 N428 D429 E430 K436	I421-R432 HydrophobicContact CG2-CB 3.76Å; I421-R432 HydrophobicContact CG2-CG 4.07Å; I421-R432 WeakPolarHBondContact CG2-O 3.19Å; I424-R432 PolarHBondContact O-NE 2.63Å; I424-R432 PolarHBondContact O-NH2 3.25Å; I424-R432 VanDerWaalsContact O-NH2 3.08Å; K425-R432 PolarHBondContact O-NH2 2.98Å; L427-R432 HydrophobicContact CB-CG 4.26Å; L427-R432 HydrophobicContact CD2-CB 4.5Å; L427-R432 HydrophobicContact CD2-CG 3.89Å; L427-R432 HydrophobicContact CG-CG 4.18Å; L427-R432 PolarHBondContact O-NE 2.68Å; L427-R432 PolarHBondContact O-NH2 3.37Å; N428-R432 WeakPolarHBondContact O-CG 3.12Å; N428-R432 PolarHBondContact O-N 2.93Å; D429-R432 PolarHBondContact O-N 2.66Å; D429-R432 IonicContact OD1-CZ 2.93Å; D429-R432 IonicContact OD1-NH1 3.84Å; D429-R432 PolarHBondContact OD1-NH1 3.42Å; E430-R432 PolarHBondContact O-N 2.98Å; R432-K436 WeakPolarHBondContact O-CG 3.27Å; R432-K436 PolarHBondContact O-N 3.18Å
433	K	93.7	Very high	93.4	Very high	106 Å²	106	58.4 Å²	58.4	46%	0.461	28%	0.279	S	S	.	.	H	α-helix	trans	-61.7	-44.6	178.1	178.8	-174.9	170.3	-163.2	0	111.3	D429 E430 G431 K436 Q437	D429-K433 WeakPolarHBondContact O-CB 3.37Å; D429-K433 PolarHBondContact O-N 3.48Å; E430-K433 PolarHBondContact O-N 3.28Å; E430-K433 IonicContact OE2-NZ 2.66Å; G431-K433 PolarHBondContact O-N 3.07Å; K433-K436 PolarHBondContact O-N 3.39Å; K433-Q437 WeakPolarHBondContact O-CG 3.49Å; K433-Q437 PolarHBondContact O-N 2.94Å
434	L	91.9	Very high	93.6	Very high	32 Å²	32	52.3 Å²	52.3	17%	0.168	25%	0.254	C	S	.	.	H	α-helix	trans	-68	-42.5	-179.6	-69.7	169.3	0	0	0	112.2	E430 G431 K436 Q437 K438	E430-L434 HydrophobicContact CG-CD1 3.98Å; E430-L434 WeakPolarHBondContact O-CB 3.48Å; E430-L434 VanDerWaalsContact O-CG 3.26Å; E430-L434 WeakPolarHBondContact O-CG 3.48Å; E430-L434 PolarHBondContact O-N 3.5Å; G431-L434 PolarHBondContact O-N 3.48Å; L434-K436 PolarHBondContact O-N 3.26Å; L434-Q437 PolarHBondContact O-N 3.33Å; L434-K438 WeakPolarHBondContact O-CB 3.44Å; L434-K438 PolarHBondContact O-N 3Å
435	M	94.2	Very high	93.9	Very high	5 Å²	5	54 Å²	54	3%	0.025	26%	0.262	C	S	.	.	H	α-helix	trans	-60.1	-44.7	173.6	-72.9	177.3	173.8	0	0	111.7	I421 L427 G431 Q437 K438 V439 I556 V561 I582 W715	I421-M435 HydrophobicContact CD1-CB 3.83Å; I421-M435 HydrophobicContact CG1-CB 4.44Å; I421-M435 HydrophobicContact CG2-CB 4.36Å; L427-M435 HydrophobicContact CD1-CE 4.33Å; L427-M435 HydrophobicContact CD2-CE 3.56Å; L427-M435 HydrophobicContact CD2-CG 4.4Å; L427-M435 HydrophobicContact CD2-SD 3.24Å; L427-M435 WeakPolarHBondContact CD2-SD 3.43Å; G431-M435 WeakPolarHBondContact O-CG 3.43Å; G431-M435 PolarHBondContact O-N 3.19Å; M435-Q437 PolarHBondContact O-N 3.08Å; M435-K438 PolarHBondContact O-N 3.2Å; M435-V439 WeakPolarHBondContact O-CG2 3.15Å; M435-V439 PolarHBondContact O-N 3.49Å; M435-I556 HydrophobicContact CB-CG2 4.01Å; M435-I556 HydrophobicContact CG-CB 4.23Å; M435-I556 HydrophobicContact CG-CG2 4.02Å; M435-V561 HydrophobicContact CE-CG1 3.52Å; M435-V561 HydrophobicContact CG-CG1 4.36Å; M435-I582 HydrophobicContact CE-CD1 3.81Å; M435-I582 HydrophobicContact CE-CG1 4.48Å; M435-W715 HydrophobicContact CE-CH2 3.42Å; M435-W715 VanDerWaalsContact CE-CH2 3.42Å; M435-W715 HydrophobicContact CE-CZ2 4.05Å; M435-W715 HydrophobicContact CE-CZ3 4.3Å; M435-W715 HydrophobicContact SD-CH2 3.37Å; M435-W715 WeakPolarHBondContact SD-CH2 3.44Å; M435-W715 HydrophobicContact SD-CZ2 4.49Å; M435-W715 HydrophobicContact SD-CZ3 3.7Å
436	K	96.3	Very high	94.2	Very high	72 Å²	72	45.1 Å²	45.1	31%	0.313	22%	0.224	S	C	.	.	H	α-helix	trans	-58.8	-49.4	175.4	-76.6	178.1	-179.9	-179.5	0	111.3	I418 I421 R432 K433 L434 K438 V439 S440	I418-K436 HydrophobicContact CG2-CG 4.37Å; I421-K436 HydrophobicContact CB-CG 4.07Å; I421-K436 HydrophobicContact CD1-CB 4.49Å; I421-K436 HydrophobicContact CD1-CG 3.85Å; I421-K436 HydrophobicContact CG2-CG 3.88Å; R432-K436 WeakPolarHBondContact O-CG 3.27Å; R432-K436 PolarHBondContact O-N 3.18Å; K433-K436 PolarHBondContact O-N 3.39Å; L434-K436 PolarHBondContact O-N 3.26Å; K436-K438 VanDerWaalsContact C-N 3.28Å; K436-K438 PolarHBondContact O-N 3.26Å; K436-V439 PolarHBondContact O-N 3.43Å; K436-S440 VanDerWaalsContact O-CB 3.23Å; K436-S440 WeakPolarHBondContact O-CB 3.35Å; K436-S440 PolarHBondContact O-N 2.97Å; K436-S440 PolarHBondContact O-OG 3.39Å
437	Q	95.7	Very high	94.5	Very high	67 Å²	67	42.1 Å²	42.1	31%	0.313	21%	0.212	S	C	.	.	H	α-helix	trans	-59.6	-40.8	178.9	-74.3	179.5	-3.3	0	0	112	K433 L434 M435 N441 K565	K433-Q437 WeakPolarHBondContact O-CG 3.49Å; K433-Q437 PolarHBondContact O-N 2.94Å; L434-Q437 PolarHBondContact O-N 3.33Å; M435-Q437 PolarHBondContact O-N 3.08Å; Q437-N441 VanDerWaalsContact O-CB 3.31Å; Q437-N441 WeakPolarHBondContact O-CB 3.4Å; Q437-N441 PolarHBondContact O-N 2.87Å; Q437-K565 HydrophobicContact CB-CD 4.15Å
438	K	95.5	Very high	94.8	Very high	5 Å²	5	42 Å²	42	2%	0.022	21%	0.212	C	C	.	.	H	α-helix	trans	-65.2	-49.9	179	-171.7	166.8	-173.4	-168.6	0	112.1	L434 M435 K436 N441 M442 Y512 N517 A555 G560	L434-K438 WeakPolarHBondContact O-CB 3.44Å; L434-K438 PolarHBondContact O-N 3Å; M435-K438 PolarHBondContact O-N 3.2Å; K436-K438 VanDerWaalsContact C-N 3.28Å; K436-K438 PolarHBondContact O-N 3.26Å; K438-N441 PolarHBondContact O-N 3.37Å; K438-M442 PolarHBondContact O-N 3.16Å; K438-M442 VanDerWaalsContact O-N 3.16Å; K438-Y512 WeakPolarHBondContact CE-OH 3.31Å; K438-Y512 PolarHBondContact NZ-OH 2.89Å; K438-N517 PolarHBondContact O-ND2 2.79Å; K438-A555 HydrophobicContact CD-CB 4.47Å; K438-A555 VanDerWaalsContact CD-O 3.23Å; K438-A555 WeakPolarHBondContact CD-O 3.34Å; K438-A555 VanDerWaalsContact CE-O 3.26Å; K438-A555 WeakPolarHBondContact CE-O 3.11Å; K438-A555 PolarHBondContact NZ-O 3.06Å; K438-G560 VanDerWaalsContact NZ-C 3.34Å; K438-G560 PolarHBondContact NZ-O 3.42Å
439	V	97.5	Very high	94.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-43.9	177.2	178.4	0	0	0	0	110.6	K414 I417 I418 I421 M435 K436 N441 M442 I552 I556	K414-V439 HydrophobicContact CB-CG1 4.23Å; K414-V439 WeakPolarHBondContact CE-O 3.28Å; K414-V439 HydrophobicContact CG-CG1 3.96Å; K414-V439 PolarHBondContact NZ-O 3.48Å; I417-V439 HydrophobicContact CB-CG1 4.43Å; I417-V439 HydrophobicContact CG2-CG1 4.2Å; I417-V439 HydrophobicContact CG2-CG2 4.11Å; I418-V439 HydrophobicContact CD1-CG1 4.12Å; I418-V439 HydrophobicContact CG1-CB 4.11Å; I418-V439 HydrophobicContact CG1-CG1 3.8Å; I421-V439 HydrophobicContact CD1-CG2 4.49Å; M435-V439 WeakPolarHBondContact O-CG2 3.15Å; M435-V439 PolarHBondContact O-N 3.49Å; K436-V439 PolarHBondContact O-N 3.43Å; V439-N441 VanDerWaalsContact C-N 3.3Å; V439-N441 PolarHBondContact O-N 2.98Å; V439-M442 VanDerWaalsContact O-CB 3.31Å; V439-M442 WeakPolarHBondContact O-CB 3.44Å; V439-M442 PolarHBondContact O-N 3.31Å; V439-M442 VanDerWaalsContact O-N 3.14Å; V439-I552 HydrophobicContact CG1-CG2 4.14Å; V439-I552 HydrophobicContact CG2-CG2 4.49Å; V439-I556 HydrophobicContact CG2-CD1 4.11Å; V439-I556 HydrophobicContact CG2-CG2 3.58Å
440	S	97.3	Very high	94.7	Very high	58 Å²	58	40.1 Å²	40.1	41%	0.406	21%	0.206	S	C	.	.	H	α-helix	trans	-56.8	-42.2	177.2	-69.2	0	0	0	0	112.6	K414 I418 K436 M442	K414-S440 PolarHBondContact NZ-O 3.47Å; I418-S440 VanDerWaalsContact CD1-OG 3.31Å; I418-S440 WeakPolarHBondContact CD1-OG 3.46Å; K436-S440 VanDerWaalsContact O-CB 3.23Å; K436-S440 WeakPolarHBondContact O-CB 3.35Å; K436-S440 PolarHBondContact O-N 2.97Å; K436-S440 PolarHBondContact O-OG 3.39Å; S440-M442 VanDerWaalsContact C-N 3.31Å; S440-M442 PolarHBondContact O-N 3.41Å
441	N	96.8	Very high	94.5	Very high	74 Å²	74	39.8 Å²	39.8	40%	0.396	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-1.2	-179.3	-78.2	19	0	0	0	114.5	Q437 K438 V439 K565	Q437-N441 VanDerWaalsContact O-CB 3.31Å; Q437-N441 WeakPolarHBondContact O-CB 3.4Å; Q437-N441 PolarHBondContact O-N 2.87Å; K438-N441 PolarHBondContact O-N 3.37Å; V439-N441 VanDerWaalsContact C-N 3.3Å; V439-N441 PolarHBondContact O-N 2.98Å; N441-K565 HydrophobicContact CB-CB 4.11Å; N441-K565 VanDerWaalsContact ND2-CD 3.33Å; N441-K565 WeakPolarHBondContact ND2-CD 3.23Å
442	M	97.1	Very high	94.5	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.225	C	C	.	.			trans	-71	138.6	-179.7	-172.6	-173.3	-63.4	0	0	111.3	F410 K414 K438 V439 S440 Y512 N517 I519 I552 A555	F410-M442 HydrophobicContact CE2-CG 4.18Å; F410-M442 HydrophobicContact CE2-SD 3.82Å; F410-M442 HydrophobicContact CZ-CB 4.23Å; F410-M442 HydrophobicContact CZ-CG 3.95Å; F410-M442 WeakPolarHBondContact CZ-O 3.47Å; F410-M442 HydrophobicContact CZ-SD 4.17Å; K414-M442 PolarHBondContact NZ-O 3.31Å; K438-M442 PolarHBondContact O-N 3.16Å; K438-M442 VanDerWaalsContact O-N 3.16Å; V439-M442 VanDerWaalsContact O-CB 3.31Å; V439-M442 WeakPolarHBondContact O-CB 3.44Å; V439-M442 PolarHBondContact O-N 3.31Å; V439-M442 VanDerWaalsContact O-N 3.14Å; S440-M442 VanDerWaalsContact C-N 3.31Å; S440-M442 PolarHBondContact O-N 3.41Å; M442-Y512 HydrophobicContact CE-CE2 4.13Å; M442-N517 WeakPolarHBondContact CA-ND2 3.41Å; M442-N517 WeakPolarHBondContact CA-O 3.32Å; M442-N517 VanDerWaalsContact CG-O 3.28Å; M442-N517 WeakPolarHBondContact CG-O 3.28Å; M442-N517 PolarHBondContact N-ND2 3.21Å; M442-I519 HydrophobicContact SD-CD1 3.62Å; M442-I519 HydrophobicContact SD-CG1 3.89Å; M442-I552 HydrophobicContact CE-CB 4.42Å; M442-I552 HydrophobicContact CE-CG2 3.83Å; M442-I552 HydrophobicContact SD-CB 4.2Å; M442-I552 HydrophobicContact SD-CG1 3.85Å; M442-I552 HydrophobicContact SD-CG2 4.01Å; M442-A555 HydrophobicContact CE-CB 3.06Å
443	D	95.9	Very high	94.4	Very high	81 Å²	81	41.7 Å²	41.7	43%	0.433	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	165.1	175	-75	-22.3	0	0	0	112.2	N517 R518 I519	D443-N517 PolarHBondContact N-O 3.13Å; D443-N517 VanDerWaalsContact N-O 3.15Å; D443-R518 HydrophobicContact CB-CB 4.32Å; D443-R518 HydrophobicContact CB-CG 4.07Å; D443-R518 VanDerWaalsContact O-CA 3.3Å; D443-R518 WeakPolarHBondContact O-CA 3.35Å; D443-R518 IonicContact OD2-CZ 2.79Å; D443-R518 IonicContact OD2-NE 3.53Å; D443-R518 IonicContact OD2-NH2 3.63Å; D443-R518 PolarHBondContact OD2-NH2 2.64Å; D443-I519 PolarHBondContact O-N 3.41Å
444	V	97.6	Very high	94.3	Very high	28 Å²	28	36.8 Å²	36.8	17%	0.17	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.3	169.4	65.6	0	0	0	0	110.9	I407 F410 I519	I407-V444 HydrophobicContact CG1-CG1 4.17Å; F410-V444 HydrophobicContact CB-CB 4.43Å; F410-V444 HydrophobicContact CB-CG1 4.06Å; F410-V444 HydrophobicContact CD1-CB 3.8Å; F410-V444 HydrophobicContact CD1-CG1 3.39Å; F410-V444 HydrophobicContact CD2-CB 4Å; F410-V444 HydrophobicContact CD2-CG1 4.4Å; F410-V444 HydrophobicContact CD2-CG2 4.47Å; F410-V444 HydrophobicContact CE1-CB 3.89Å; F410-V444 HydrophobicContact CE1-CG1 3.79Å; F410-V444 HydrophobicContact CE2-CB 4.12Å; F410-V444 HydrophobicContact CG-CB 3.82Å; F410-V444 HydrophobicContact CG-CG1 3.7Å; F410-V444 HydrophobicContact CG-CG2 4.41Å; F410-V444 HydrophobicContact CZ-CB 4.03Å; F410-V444 HydrophobicContact CZ-CG1 4.43Å; V444-I519 CarbonylContact C-O 3.43Å; V444-I519 WeakPolarHBondContact CA-O 3.3Å; V444-I519 HydrophobicContact CG2-CB 4.31Å; V444-I519 HydrophobicContact CG2-CG2 4.45Å
445	F	97.1	Very high	94.3	Very high	37 Å²	37	38.3 Å²	38.3	16%	0.162	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	113.6	157.8	173	-85.3	0	0	0	107.6	E505 I519 Y520 L521 Y522	F445-E505 HydrophobicContact CE1-CG 4.45Å; F445-E505 HydrophobicContact CZ-CG 3.86Å; F445-I519 PolarHBondContact N-O 2.9Å; F445-Y520 HydrophobicContact CB-CD1 3.57Å; F445-Y520 HydrophobicContact CB-CE1 3.87Å; F445-Y520 HydrophobicContact CB-CG 4.09Å; F445-Y520 AromaticContact CD1-CD1 3.82Å; F445-Y520 HydrophobicContact CD1-CD1 3.82Å; F445-Y520 HydrophobicContact CD2-CD1 4.44Å; F445-Y520 HydrophobicContact CD2-CE1 4.38Å; F445-Y520 AromaticContact CG-CD1 3.68Å; F445-Y520 HydrophobicContact CG-CD1 3.68Å; F445-Y520 HydrophobicContact CG-CE1 4.02Å; F445-L521 PolarHBondContact O-N 2.93Å; F445-Y522 HydrophobicContact CE1-CD1 4.02Å; F445-Y522 HydrophobicContact CE1-CE1 4.21Å
446	A	97.4	Very high	94.2	Very high	3 Å²	3	40.5 Å²	40.5	3%	0.025	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	108.8	-174.5	0	0	0	0	0	111.3	K403 V406 I407 Y448	K403-A446 HydrophobicContact CG-CB 4.14Å; V406-A446 HydrophobicContact CB-CB 4.15Å; V406-A446 HydrophobicContact CG1-CB 3.66Å; I407-A446 HydrophobicContact CD1-CB 4.23Å; I407-A446 HydrophobicContact CG1-CB 3.7Å; A446-Y448 PolarHBondContact O-N 3.03Å
447	L	97	Very high	94	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.3	-60	172.6	-49.3	174.1	0	0	0	114.5	V398 H402 K403 V406 L521 S523 L526	V398-L447 HydrophobicContact CB-CD1 4.29Å; V398-L447 HydrophobicContact CG1-CD1 4.15Å; H402-L447 HydrophobicContact CB-CD1 3.71Å; K403-L447 HydrophobicContact CB-CD1 4.39Å; V406-L447 HydrophobicContact CG2-CD1 4.16Å; V406-L447 HydrophobicContact CG2-CD2 4.17Å; V406-L447 HydrophobicContact CG2-CG 4.18Å; L447-L521 VanDerWaalsContact CA-O 3.29Å; L447-L521 WeakPolarHBondContact CA-O 3.45Å; L447-L521 HydrophobicContact CD2-CD2 4.09Å; L447-L521 PolarHBondContact N-O 3.13Å; L447-S523 PolarHBondContact O-N 2.89Å; L447-L526 HydrophobicContact CD1-CD2 3.95Å; L447-L526 HydrophobicContact CD2-CB 4.07Å; L447-L526 HydrophobicContact CD2-CD1 4.27Å; L447-L526 HydrophobicContact CD2-CD2 4.43Å; L447-L526 HydrophobicContact CD2-CG 4.5Å
448	Y	94.5	Very high	93.9	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	19%	0.191	C	C	.	.			trans	-150.2	154.8	-177	62.4	-91	0	0	0	112.9	I394 V398 N399 E400 K403 A446 Q451 E505	I394-Y448 HydrophobicContact CG2-CD1 4.21Å; I394-Y448 HydrophobicContact CG2-CD2 4.49Å; I394-Y448 HydrophobicContact CG2-CG 4.08Å; V398-Y448 HydrophobicContact CB-CD1 4.23Å; V398-Y448 HydrophobicContact CB-CE1 4.12Å; V398-Y448 HydrophobicContact CG2-CD1 3.5Å; V398-Y448 HydrophobicContact CG2-CE1 3.75Å; N399-Y448 PolarHBondContact O-OH 3.02Å; E400-Y448 WeakPolarHBondContact CA-OH 3.33Å; E400-Y448 PolarHBondContact N-OH 2.65Å; E400-Y448 VanDerWaalsContact OE1-CE2 3.25Å; E400-Y448 WeakPolarHBondContact OE1-CE2 3.48Å; E400-Y448 VanDerWaalsContact OE1-CZ 3.31Å; E400-Y448 PolarHBondContact OE1-OH 2.71Å; K403-Y448 HydrophobicContact CB-CE1 4.26Å; K403-Y448 HydrophobicContact CD-CE1 4.33Å; K403-Y448 HydrophobicContact CD-CE2 4.09Å; K403-Y448 PolarHBondContact NZ-O 3.36Å; A446-Y448 PolarHBondContact O-N 3.03Å; Y448-Q451 HydrophobicContact CD2-CG 4.4Å; Y448-Q451 HydrophobicContact CE2-CG 3.66Å; Y448-Q451 PolarHBondContact OH-NE2 2.99Å; Y448-E505 WeakPolarHBondContact CA-OE2 3.42Å; Y448-E505 WeakPolarHBondContact CB-OE2 2.89Å
449	S	91.6	Very high	93.7	Very high	50 Å²	50	38.6 Å²	38.6	35%	0.35	21%	0.211	S	C	.	.	S	Bend	trans	-71.3	-64	179	49.8	0	0	0	0	111.7	K403 A453 E505	K403-S449 PolarHBondContact NZ-O 2.94Å; S449-A453 WeakPolarHBondContact OG-CB 3.39Å; S449-E505 PolarHBondContact N-OE2 3.1Å; S449-E505 PolarHBondContact OG-OE1 3.49Å; S449-E505 PolarHBondContact OG-OE2 3.42Å
450	N	87.6	Confident	93.3	Very high	89 Å²	89	42 Å²	42	48%	0.476	23%	0.226	S	C	.	.			trans	-147.8	142.3	175.9	174.5	-14.4	0	0	0	108.4	N452 A453	N450-N452 PolarHBondContact O-N 3.4Å; N450-N452 VanDerWaalsContact O-N 3.08Å; N450-N452 PolarHBondContact OD1-N 3.33Å; N450-A453 HydrophobicContact CB-CB 4.16Å; N450-A453 VanDerWaalsContact O-CB 3.3Å; N450-A453 WeakPolarHBondContact O-CB 3.48Å; N450-A453 PolarHBondContact O-N 3.15Å
451	Q	85.7	Confident	93	Very high	71 Å²	71	39.7 Å²	39.7	33%	0.332	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-27.1	177.6	-64.6	-166.1	4.8	0	0	114.1	Y448	Y448-Q451 HydrophobicContact CD2-CG 4.4Å; Y448-Q451 HydrophobicContact CE2-CG 3.66Å; Y448-Q451 PolarHBondContact OH-NE2 2.99Å
452	N	89.7	Confident	92.8	Very high	89 Å²	89	36.2 Å²	36.2	48%	0.476	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-6.3	178.3	-65.8	-20.1	0	0	0	113.7	N450 S454 E455 V456	N450-N452 PolarHBondContact O-N 3.4Å; N450-N452 VanDerWaalsContact O-N 3.08Å; N450-N452 PolarHBondContact OD1-N 3.33Å; N452-S454 VanDerWaalsContact C-N 3.34Å; N452-S454 PolarHBondContact O-N 2.62Å; N452-E455 PolarHBondContact O-N 2.86Å; N452-V456 WeakPolarHBondContact O-CG2 3.41Å; N452-V456 PolarHBondContact O-N 3.43Å; N452-V456 VanDerWaalsContact O-N 3.14Å
453	A	91.3	Very high	92.7	Very high	7 Å²	7	36.4 Å²	36.4	6%	0.058	19%	0.193	C	C	.	.	H	α-helix	trans	-62.7	-42.3	-175.5	0	0	0	0	0	112	S449 N450 E455 V456 K457 P498	S449-A453 WeakPolarHBondContact OG-CB 3.39Å; N450-A453 HydrophobicContact CB-CB 4.16Å; N450-A453 VanDerWaalsContact O-CB 3.3Å; N450-A453 WeakPolarHBondContact O-CB 3.48Å; N450-A453 PolarHBondContact O-N 3.15Å; A453-E455 VanDerWaalsContact C-N 3.34Å; A453-E455 PolarHBondContact O-N 2.82Å; A453-V456 PolarHBondContact O-N 3.3Å; A453-K457 VanDerWaalsContact O-CG 3.32Å; A453-K457 WeakPolarHBondContact O-CG 3.38Å; A453-K457 PolarHBondContact O-N 3.03Å; A453-P498 HydrophobicContact CB-CB 4.49Å; A453-P498 HydrophobicContact CB-CG 4.22Å
454	S	92.4	Very high	92.3	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-60.5	-41.2	178	54.5	0	0	0	0	112.4	E390 R391 N452 K457 E458	E390-S454 WeakPolarHBondContact OE1-CB 3.35Å; R391-S454 VanDerWaalsContact CA-OG 3.32Å; R391-S454 WeakPolarHBondContact CA-OG 3.35Å; N452-S454 VanDerWaalsContact C-N 3.34Å; N452-S454 PolarHBondContact O-N 2.62Å; S454-K457 PolarHBondContact O-N 2.75Å; S454-E458 VanDerWaalsContact O-CB 3.23Å; S454-E458 WeakPolarHBondContact O-CB 3.3Å; S454-E458 PolarHBondContact O-N 3.49Å
455	E	92	Very high	92	Very high	64 Å²	64	38.1 Å²	38.1	30%	0.299	20%	0.198	S	C	.	.	H	α-helix	trans	-64.8	-40.7	175.4	-174.2	169.3	172.1	0	0	112.1	R391 R395 N452 A453 E458 I459	R391-E455 HydrophobicContact CG-CB 4.42Å; R395-E455 IonicContact CZ-OE2 3.51Å; R395-E455 IonicContact NH2-OE2 2.66Å; R395-E455 PolarHBondContact NH2-OE2 3.09Å; N452-E455 PolarHBondContact O-N 2.86Å; A453-E455 VanDerWaalsContact C-N 3.34Å; A453-E455 PolarHBondContact O-N 2.82Å; E455-E458 WeakPolarHBondContact O-CB 3.49Å; E455-E458 PolarHBondContact O-N 2.81Å; E455-I459 HydrophobicContact CG-CD1 4.22Å; E455-I459 VanDerWaalsContact O-CG1 3.27Å; E455-I459 WeakPolarHBondContact O-CG1 3.49Å; E455-I459 PolarHBondContact O-N 3.47Å
456	V	91.7	Very high	91.8	Very high	50 Å²	50	38.1 Å²	38.1	30%	0.303	20%	0.198	S	C	.	.	H	α-helix	trans	-64.8	-45.7	175.2	176.8	0	0	0	0	111.1	N452 A453 E458 I459 F460 P498	N452-V456 WeakPolarHBondContact O-CG2 3.41Å; N452-V456 PolarHBondContact O-N 3.43Å; N452-V456 VanDerWaalsContact O-N 3.14Å; A453-V456 PolarHBondContact O-N 3.3Å; V456-E458 VanDerWaalsContact C-N 3.29Å; V456-E458 PolarHBondContact O-N 3.21Å; V456-I459 PolarHBondContact O-N 3.36Å; V456-F460 HydrophobicContact CG1-CD2 3.68Å; V456-F460 HydrophobicContact CG1-CE2 3.34Å; V456-F460 HydrophobicContact CG1-CZ 4.43Å; V456-F460 WeakPolarHBondContact O-CD2 3.45Å; V456-F460 PolarHBondContact O-N 2.89Å; V456-F460 VanDerWaalsContact O-N 3.13Å; V456-P498 HydrophobicContact CB-CG 3.99Å; V456-P498 HydrophobicContact CG1-CG 3.89Å
457	K	92.8	Very high	91.6	Very high	13 Å²	13	41.7 Å²	41.7	6%	0.057	22%	0.22	C	C	.	.	H	α-helix	trans	-59.7	-41	175.2	-66.6	177	-164.7	161.6	0	111.5	W387 E390 A453 S454 F460 S461 P498 S499 E505	W387-K457 HydrophobicContact CB-CB 4.08Å; W387-K457 HydrophobicContact CD2-CB 3.78Å; W387-K457 HydrophobicContact CD2-CD 3.8Å; W387-K457 HydrophobicContact CD2-CG 4.42Å; W387-K457 HydrophobicContact CE3-CB 4.28Å; W387-K457 HydrophobicContact CE3-CD 3.53Å; W387-K457 HydrophobicContact CG-CB 3.64Å; W387-K457 HydrophobicContact CH2-CD 4.03Å; W387-K457 HydrophobicContact CZ2-CD 4.25Å; W387-K457 HydrophobicContact CZ3-CD 3.65Å; E390-K457 IonicContact OE1-NZ 3.8Å; E390-K457 PolarHBondContact OE1-NZ 2.78Å; A453-K457 VanDerWaalsContact O-CG 3.32Å; A453-K457 WeakPolarHBondContact O-CG 3.38Å; A453-K457 PolarHBondContact O-N 3.03Å; S454-K457 PolarHBondContact O-N 2.75Å; K457-F460 PolarHBondContact O-N 2.83Å; K457-S461 PolarHBondContact O-N 2.81Å; K457-P498 HydrophobicContact CG-CB 3.97Å; K457-P498 HydrophobicContact CG-CG 3.91Å; K457-S499 WeakPolarHBondContact CG-O 3.48Å; K457-E505 IonicContact NZ-OE1 2.96Å; K457-E505 PolarHBondContact NZ-OE1 2.81Å
458	E	92.8	Very high	91.5	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.009	23%	0.225	C	C	.	.	H	α-helix	trans	-63.6	-42.5	177.5	-176	-168.1	-144.5	0	0	112.1	R119 W387 T388 R391 S454 E455 V456 F460 S461	R119-E458 VanDerWaalsContact CB-OE1 3.31Å; R119-E458 WeakPolarHBondContact CB-OE1 3.47Å; R119-E458 VanDerWaalsContact CD-OE1 3.26Å; R119-E458 WeakPolarHBondContact CD-OE1 3.49Å; W387-E458 HydrophobicContact CB-CB 3.79Å; T388-E458 WeakPolarHBondContact CA-OE1 3.39Å; T388-E458 VanDerWaalsContact CB-OE1 3.29Å; T388-E458 WeakPolarHBondContact CB-OE1 3.34Å; T388-E458 WeakPolarHBondContact CG2-OE1 3.4Å; T388-E458 PolarHBondContact OG1-OE1 3.11Å; R391-E458 IonicContact CZ-OE1 3.5Å; R391-E458 IonicContact CZ-OE2 2.74Å; R391-E458 IonicContact NE-OE2 3.79Å; R391-E458 PolarHBondContact NE-OE2 3.27Å; R391-E458 IonicContact NH1-OE2 2.76Å; R391-E458 PolarHBondContact NH1-OE2 3.4Å; R391-E458 IonicContact NH2-OE1 3.81Å; R391-E458 IonicContact NH2-OE2 3.86Å; S454-E458 VanDerWaalsContact O-CB 3.23Å; S454-E458 WeakPolarHBondContact O-CB 3.3Å; S454-E458 PolarHBondContact O-N 3.49Å; E455-E458 WeakPolarHBondContact O-CB 3.49Å; E455-E458 PolarHBondContact O-N 2.81Å; V456-E458 VanDerWaalsContact C-N 3.29Å; V456-E458 PolarHBondContact O-N 3.21Å; E458-F460 VanDerWaalsContact C-N 3.3Å; E458-F460 PolarHBondContact O-N 2.81Å; E458-S461 WeakPolarHBondContact O-CB 3.41Å; E458-S461 PolarHBondContact O-N 3.08Å
459	I	91.3	Very high	91.5	Very high	89 Å²	89	49.2 Å²	49.2	46%	0.456	25%	0.25	S	C	.	.	H	α-helix	trans	-61.9	-39.1	175.7	-70.5	163	0	0	0	111.3	E455 V456	E455-I459 HydrophobicContact CG-CD1 4.22Å; E455-I459 VanDerWaalsContact O-CG1 3.27Å; E455-I459 WeakPolarHBondContact O-CG1 3.49Å; E455-I459 PolarHBondContact O-N 3.47Å; V456-I459 PolarHBondContact O-N 3.36Å
460	F	88.8	Confident	91.6	Very high	71 Å²	71	51.4 Å²	51.4	31%	0.311	26%	0.255	S	S	.	.	H	α-helix	trans	-77.7	-22.4	179.9	-71.6	-53.6	0	0	0	114.2	V456 K457 E458 T462 Y496 P500	V456-F460 HydrophobicContact CG1-CD2 3.68Å; V456-F460 HydrophobicContact CG1-CE2 3.34Å; V456-F460 HydrophobicContact CG1-CZ 4.43Å; V456-F460 WeakPolarHBondContact O-CD2 3.45Å; V456-F460 PolarHBondContact O-N 2.89Å; V456-F460 VanDerWaalsContact O-N 3.13Å; K457-F460 PolarHBondContact O-N 2.83Å; E458-F460 VanDerWaalsContact C-N 3.3Å; E458-F460 PolarHBondContact O-N 2.81Å; F460-T462 PolarHBondContact O-N 2.97Å; F460-Y496 HydrophobicContact CD1-CD1 4.07Å; F460-Y496 AromaticContact CD1-CE1 3.7Å; F460-Y496 HydrophobicContact CD1-CE1 3.7Å; F460-Y496 HydrophobicContact CD2-CD1 4.16Å; F460-Y496 AromaticContact CE1-CD1 3.92Å; F460-Y496 HydrophobicContact CE1-CD1 3.92Å; F460-Y496 AromaticContact CE1-CE1 3.56Å; F460-Y496 HydrophobicContact CE1-CE1 3.56Å; F460-Y496 AromaticContact CE2-CD1 3.99Å; F460-Y496 HydrophobicContact CE2-CD1 3.99Å; F460-Y496 HydrophobicContact CE2-CE1 4.46Å; F460-Y496 HydrophobicContact CG-CD1 4.21Å; F460-Y496 HydrophobicContact CG-CE1 4.27Å; F460-Y496 AromaticContact CZ-CD1 3.89Å; F460-Y496 HydrophobicContact CZ-CD1 3.89Å; F460-Y496 AromaticContact CZ-CE1 3.97Å; F460-Y496 HydrophobicContact CZ-CE1 3.97Å; F460-P500 HydrophobicContact CB-CB 4.05Å; F460-P500 HydrophobicContact CB-CG 4.17Å
461	S	92.1	Very high	91.8	Very high	10 Å²	10	51.4 Å²	51.4	7%	0.07	26%	0.255	C	S	.	.			trans	-57.4	129.4	179.6	-173.6	0	0	0	0	112.2	K457 E458 V463	K457-S461 PolarHBondContact O-N 2.81Å; E458-S461 WeakPolarHBondContact O-CB 3.41Å; E458-S461 PolarHBondContact O-N 3.08Å; S461-V463 VanDerWaalsContact C-N 3.28Å; S461-V463 PolarHBondContact O-N 3.02Å; S461-V463 WeakPolarHBondContact OG-CG1 3.32Å
462	T	93.1	Very high	92.1	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.012	25%	0.245	C	C	.	.	S	Bend	trans	-77.2	-17.6	-178.8	-56.1	0	0	0	0	111.9	F460 S464 Q465 Y466 V486 D487 K490	F460-T462 PolarHBondContact O-N 2.97Å; T462-S464 PolarHBondContact O-N 2.95Å; T462-Q465 VanDerWaalsContact O-CB 3.28Å; T462-Q465 WeakPolarHBondContact O-CB 3.25Å; T462-Q465 WeakPolarHBondContact O-CG 3.31Å; T462-Q465 PolarHBondContact O-N 3.46Å; T462-Y466 HydrophobicContact CG2-CE2 3.83Å; T462-V486 HydrophobicContact CG2-CB 4.19Å; T462-V486 HydrophobicContact CG2-CG1 3.96Å; T462-D487 WeakPolarHBondContact CB-OD1 3.33Å; T462-D487 PolarHBondContact N-OD1 2.89Å; T462-D487 PolarHBondContact N-OD2 2.87Å; T462-D487 VanDerWaalsContact N-OD2 3.09Å; T462-D487 PolarHBondContact OG1-OD1 3.23Å; T462-K490 PolarHBondContact OG1-NZ 2.98Å
463	V	94.5	Very high	92.3	Very high	4 Å²	4	45 Å²	45	2%	0.024	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-59.7	-37	-173.6	74.1	0	0	0	0	112.2	F385 S461 Q465 Y466 I480 A483	F385-V463 HydrophobicContact CD1-CG1 3.91Å; F385-V463 HydrophobicContact CE1-CG1 3.85Å; F385-V463 HydrophobicContact CE1-CG2 3.94Å; F385-V463 HydrophobicContact CZ-CG2 3.91Å; S461-V463 VanDerWaalsContact C-N 3.28Å; S461-V463 PolarHBondContact O-N 3.02Å; S461-V463 WeakPolarHBondContact OG-CG1 3.32Å; V463-Q465 PolarHBondContact O-N 2.9Å; V463-Q465 VanDerWaalsContact O-N 3.12Å; V463-Y466 PolarHBondContact O-N 2.61Å; V463-Y466 VanDerWaalsContact O-N 3.11Å; V463-I480 HydrophobicContact CG2-CG1 3.82Å; V463-A483 HydrophobicContact CB-CB 3.79Å; V463-A483 HydrophobicContact CG2-CB 4.28Å
464	S	88	Confident	92.3	Very high	16 Å²	16	45.7 Å²	45.7	11%	0.112	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-68.6	-8.2	179	-49.5	0	0	0	0	113.8	T462	T462-S464 PolarHBondContact O-N 2.95Å
465	Q	89.7	Confident	92.3	Very high	130 Å²	130	47.1 Å²	47.1	61%	0.607	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-86.7	-11.9	175.2	-53.6	-177.4	6.7	0	0	112.6	T462 V463	T462-Q465 VanDerWaalsContact O-CB 3.28Å; T462-Q465 WeakPolarHBondContact O-CB 3.25Å; T462-Q465 WeakPolarHBondContact O-CG 3.31Å; T462-Q465 PolarHBondContact O-N 3.46Å; V463-Q465 PolarHBondContact O-N 2.9Å; V463-Q465 VanDerWaalsContact O-N 3.12Å
466	Y	93.7	Very high	92.5	Very high	37 Å²	37	44.2 Å²	44.2	15%	0.145	22%	0.216	C	C	.	.	S	Bend	trans	-95.3	146.2	-179.6	-67.2	-70.8	0	0	0	111.7	T462 V463 I468 Y479 R482 A483	T462-Y466 HydrophobicContact CG2-CE2 3.83Å; V463-Y466 PolarHBondContact O-N 2.61Å; V463-Y466 VanDerWaalsContact O-N 3.11Å; Y466-I468 VanDerWaalsContact C-N 3.33Å; Y466-I468 PolarHBondContact O-N 2.84Å; Y466-Y479 AromaticContact CD1-CD1 3.38Å; Y466-Y479 HydrophobicContact CD1-CD1 3.38Å; Y466-Y479 AromaticContact CD1-CE1 3.8Å; Y466-Y479 HydrophobicContact CD1-CE1 3.8Å; Y466-Y479 AromaticContact CD1-CG 3.95Å; Y466-Y479 HydrophobicContact CD1-CG 3.95Å; Y466-Y479 HydrophobicContact CE1-CD1 4.01Å; Y466-Y479 HydrophobicContact CE1-CE1 4.44Å; Y466-Y479 AromaticContact CG-CD1 3.76Å; Y466-Y479 HydrophobicContact CG-CD1 3.76Å; Y466-Y479 HydrophobicContact CG-CE1 4.49Å; Y466-Y479 AromaticContact CG-CG 3.83Å; Y466-Y479 HydrophobicContact CG-CG 3.83Å; Y466-R482 WeakPolarHBondContact OH-CD 3.4Å; Y466-R482 WeakPolarHBondContact OH-CG 3.45Å; Y466-R482 PolarHBondContact OH-NE 3.47Å; Y466-A483 HydrophobicContact CD2-CB 4.11Å; Y466-A483 HydrophobicContact CE2-CB 3.83Å
467	P	93	Very high	92.6	Very high	77 Å²	77	42.1 Å²	42.1	50%	0.5	20%	0.203	S	C	.	.			trans	-78.9	83.9	179.4	32.5	-34.3	0	0	0	110.1	Y479	P467-Y479 HydrophobicContact CG-CE2 3.96Å
468	I	95.9	Very high	92.6	Very high	20 Å²	20	41.5 Å²	41.5	10%	0.103	20%	0.2	C	C	.	.			trans	-72.1	130	174.2	-56.5	-61.6	0	0	0	109	T122 A125 F126 F385 Y466 N476 Y479	T122-I468 HydrophobicContact CG2-CB 3.74Å; T122-I468 HydrophobicContact CG2-CG1 3.66Å; T122-I468 HydrophobicContact CG2-CG2 4.35Å; A125-I468 HydrophobicContact CB-CG2 4.34Å; F126-I468 HydrophobicContact CB-CG2 3.77Å; F385-I468 HydrophobicContact CZ-CD1 4.49Å; F385-I468 HydrophobicContact CZ-CG1 4.1Å; F385-I468 HydrophobicContact CZ-CG2 4.49Å; Y466-I468 VanDerWaalsContact C-N 3.33Å; Y466-I468 PolarHBondContact O-N 2.84Å; I468-N476 WeakPolarHBondContact CA-OD1 3.26Å; I468-N476 HydrophobicContact CD1-CB 4.11Å; I468-N476 HydrophobicContact CG2-CB 4.41Å; I468-Y479 HydrophobicContact CD1-CD2 4.22Å
469	R	93.8	Very high	92.7	Very high	139 Å²	139	42.2 Å²	42.2	53%	0.525	20%	0.203	S	C	.	.			trans	-132.2	145.9	-174.7	-62.5	171.5	59	111	-1.8	112.4	S129 D471 N476	S129-R469 VanDerWaalsContact CB-O 3.3Å; S129-R469 WeakPolarHBondContact CB-O 3.34Å; R469-D471 WeakPolarHBondContact CB-OD1 3.25Å; R469-D471 IonicContact CZ-OD1 3.43Å; R469-D471 IonicContact CZ-OD2 2.88Å; R469-D471 IonicContact NE-OD1 3.81Å; R469-D471 PolarHBondContact NE-OD1 3.13Å; R469-D471 IonicContact NE-OD2 3.2Å; R469-D471 PolarHBondContact NE-OD2 3.1Å; R469-D471 IonicContact NH2-OD1 2.94Å; R469-D471 IonicContact NH2-OD2 3.37Å; R469-D471 PolarHBondContact NH2-OD2 3.34Å; R469-D471 PolarHBondContact O-N 3.25Å; R469-N476 PolarHBondContact N-OD1 3.41Å; R469-N476 PolarHBondContact O-ND2 2.96Å
470	E	94.1	Very high	92.9	Very high	96 Å²	96	38 Å²	38	45%	0.449	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-20.8	179.6	-64.3	-171.6	-174.2	0	0	113.8	A125 K128 S129	A125-E470 HydrophobicContact CB-CG 3.84Å; K128-E470 HydrophobicContact CB-CG 4.08Å; K128-E470 HydrophobicContact CD-CG 4.36Å; K128-E470 VanDerWaalsContact CD-OE1 3.27Å; K128-E470 WeakPolarHBondContact CD-OE1 3.44Å; K128-E470 IonicContact NZ-OE1 2.66Å; S129-E470 WeakPolarHBondContact CA-O 3.32Å; S129-E470 WeakPolarHBondContact CB-O 3.5Å
471	D	91.9	Very high	93.1	Very high	89 Å²	89	36.5 Å²	36.5	48%	0.476	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-6.3	-172.9	61.8	-10.8	0	0	0	114.6	R469	R469-D471 WeakPolarHBondContact CB-OD1 3.25Å; R469-D471 IonicContact CZ-OD1 3.43Å; R469-D471 IonicContact CZ-OD2 2.88Å; R469-D471 IonicContact NE-OD1 3.81Å; R469-D471 PolarHBondContact NE-OD1 3.13Å; R469-D471 IonicContact NE-OD2 3.2Å; R469-D471 PolarHBondContact NE-OD2 3.1Å; R469-D471 IonicContact NH2-OD1 2.94Å; R469-D471 IonicContact NH2-OD2 3.37Å; R469-D471 PolarHBondContact NH2-OD2 3.34Å; R469-D471 PolarHBondContact O-N 3.25Å
472	N	91.4	Very high	93.2	Very high	25 Å²	25	37 Å²	37	13%	0.134	17%	0.174	C	C	.	.			trans	-148.3	85.7	-174.9	-161.2	-39.5	0	0	0	114.4	Y474 K475 N476	N472-Y474 PolarHBondContact O-N 3.04Å; N472-Y474 PolarHBondContact OD1-N 3.33Å; N472-K475 HydrophobicContact CB-CB 4.12Å; N472-K475 VanDerWaalsContact CG-CB 3.47Å; N472-K475 PolarHBondContact O-N 3.42Å; N472-K475 WeakPolarHBondContact OD1-CB 3.36Å; N472-K475 PolarHBondContact OD1-N 3.44Å; N472-N476 PolarHBondContact O-N 2.91Å; N472-N476 VanDerWaalsContact O-N 3.17Å; N472-N476 PolarHBondContact O-ND2 3.3Å; N472-N476 PolarHBondContact O-OD1 2.89Å
473	Y	93.2	Very high	93.2	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-55.6	-48.6	175.7	173.7	-121.2	0	0	0	113.7	F126 S129 C130 S133 R134 T353 L354 K475 N476 E477	F126-Y473 HydrophobicContact CE2-CD2 4.06Å; F126-Y473 AromaticContact CE2-CE2 3.91Å; F126-Y473 HydrophobicContact CE2-CE2 3.91Å; F126-Y473 HydrophobicContact CZ-CD2 4.39Å; F126-Y473 AromaticContact CZ-CE2 3.84Å; F126-Y473 HydrophobicContact CZ-CE2 3.84Å; S129-Y473 WeakPolarHBondContact O-CB 3.49Å; C130-Y473 VanDerWaalsContact CA-CD2 3.49Å; C130-Y473 HydrophobicContact CB-CD2 3.59Å; C130-Y473 HydrophobicContact CB-CE2 3.69Å; C130-Y473 HydrophobicContact CB-CG 4.36Å; S133-Y473 VanDerWaalsContact OG-CB 3.28Å; S133-Y473 WeakPolarHBondContact OG-CB 3.23Å; S133-Y473 PolarHBondContact OG-N 2.91Å; R134-Y473 HydrophobicContact CB-CD1 4.45Å; T353-Y473 HydrophobicContact CG2-CD1 4.49Å; T353-Y473 HydrophobicContact CG2-CE1 3.77Å; L354-Y473 HydrophobicContact CB-CE1 4.19Å; L354-Y473 WeakPolarHBondContact CG-OH 3.28Å; L354-Y473 PolarHBondContact N-OH 3.47Å; Y473-K475 VanDerWaalsContact C-N 3.32Å; Y473-K475 PolarHBondContact O-N 3.2Å; Y473-N476 WeakPolarHBondContact O-CB 3.38Å; Y473-N476 PolarHBondContact O-N 3.11Å; Y473-E477 HydrophobicContact CD2-CG 4.14Å; Y473-E477 HydrophobicContact CE1-CG 4.19Å; Y473-E477 HydrophobicContact CE2-CG 3.52Å; Y473-E477 VanDerWaalsContact CE2-OE1 3.23Å; Y473-E477 WeakPolarHBondContact CE2-OE1 3.37Å; Y473-E477 VanDerWaalsContact CZ-OE1 3.28Å; Y473-E477 PolarHBondContact O-N 2.84Å; Y473-E477 PolarHBondContact OH-OE1 2.93Å
474	Y	92.3	Very high	93.2	Very high	23 Å²	23	40 Å²	40	9%	0.09	19%	0.187	C	C	.	.	H	α-helix	trans	-64.5	-35.8	-174.5	-63.6	-87.1	0	0	0	112.9	T138 A139 T353 V356 N472 F478	T138-Y474 HydrophobicContact CG2-CD2 4.06Å; A139-Y474 VanDerWaalsContact CA-CE2 3.43Å; A139-Y474 HydrophobicContact CB-CD1 4.08Å; A139-Y474 HydrophobicContact CB-CD2 3.91Å; A139-Y474 HydrophobicContact CB-CE1 3.72Å; A139-Y474 HydrophobicContact CB-CE2 3.5Å; A139-Y474 VanDerWaalsContact CB-CE2 3.5Å; A139-Y474 HydrophobicContact CB-CG 4.19Å; A139-Y474 VanDerWaalsContact CB-CZ 3.41Å; T353-Y474 HydrophobicContact CG2-CD1 3.5Å; T353-Y474 HydrophobicContact CG2-CE1 3.53Å; V356-Y474 WeakPolarHBondContact CG2-OH 3.12Å; N472-Y474 PolarHBondContact O-N 3.04Å; N472-Y474 PolarHBondContact OD1-N 3.33Å; Y474-F478 PolarHBondContact O-N 3.32Å
475	K	92.8	Very high	93.5	Very high	33 Å²	33	40.4 Å²	40.4	14%	0.143	19%	0.186	C	C	.	.	H	α-helix	trans	-71.9	-35.6	173.9	-172	174	176.9	-178.9	0	111.8	H145 N472 Y473 F478 Y479	H145-K475 PolarHBondContact CD2-NZ 3.47Å; H145-K475 VanDerWaalsContact CD2-NZ 3.28Å; H145-K475 PolarHBondContact NE2-NZ 2.97Å; N472-K475 HydrophobicContact CB-CB 4.12Å; N472-K475 VanDerWaalsContact CG-CB 3.47Å; N472-K475 PolarHBondContact O-N 3.42Å; N472-K475 WeakPolarHBondContact OD1-CB 3.36Å; N472-K475 PolarHBondContact OD1-N 3.44Å; Y473-K475 VanDerWaalsContact C-N 3.32Å; Y473-K475 PolarHBondContact O-N 3.2Å; K475-F478 WeakPolarHBondContact O-CB 3.39Å; K475-F478 PolarHBondContact O-N 2.78Å; K475-Y479 HydrophobicContact CD-CE2 4.33Å; K475-Y479 WeakPolarHBondContact CE-OH 3.44Å; K475-Y479 HydrophobicContact CG-CD2 4.37Å; K475-Y479 HydrophobicContact CG-CE2 3.85Å; K475-Y479 WeakPolarHBondContact O-CD2 3.03Å; K475-Y479 PolarHBondContact O-N 3.39Å; K475-Y479 VanDerWaalsContact O-N 3.13Å
476	N	94.9	Very high	93.7	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.011	16%	0.158	C	C	.	.	H	α-helix	trans	-65.4	-40.9	174.3	-62.4	-24.6	0	0	0	111.8	F126 S129 I468 R469 N472 Y473 F478 Y479 I480	F126-N476 HydrophobicContact CD2-CB 3.66Å; F126-N476 HydrophobicContact CE2-CB 4Å; S129-N476 WeakPolarHBondContact CB-ND2 3.41Å; S129-N476 PolarHBondContact OG-ND2 3.31Å; I468-N476 WeakPolarHBondContact CA-OD1 3.26Å; I468-N476 HydrophobicContact CD1-CB 4.11Å; I468-N476 HydrophobicContact CG2-CB 4.41Å; R469-N476 PolarHBondContact N-OD1 3.41Å; R469-N476 PolarHBondContact O-ND2 2.96Å; N472-N476 PolarHBondContact O-N 2.91Å; N472-N476 VanDerWaalsContact O-N 3.17Å; N472-N476 PolarHBondContact O-ND2 3.3Å; N472-N476 PolarHBondContact O-OD1 2.89Å; Y473-N476 WeakPolarHBondContact O-CB 3.38Å; Y473-N476 PolarHBondContact O-N 3.11Å; N476-F478 VanDerWaalsContact C-N 3.33Å; N476-F478 PolarHBondContact O-N 2.97Å; N476-Y479 WeakPolarHBondContact O-CB 3.35Å; N476-Y479 PolarHBondContact O-N 2.78Å; N476-Y479 VanDerWaalsContact O-N 3.08Å; N476-I480 PolarHBondContact O-N 3.41Å
477	E	94.1	Very high	93.7	Very high	6 Å²	6	32.9 Å²	32.9	3%	0.028	15%	0.153	C	C	.	.	H	α-helix	trans	-59.5	-42.4	174.1	-76.9	-70.3	177.4	0	0	112	F126 T353 R380 Y473 Y479 I480 R481	F126-E477 HydrophobicContact CE2-CG 4.37Å; F126-E477 WeakPolarHBondContact CZ-OE1 3.43Å; T353-E477 HydrophobicContact CG2-CG 4.33Å; R380-E477 IonicContact CZ-OE1 2.66Å; R380-E477 IonicContact CZ-OE2 3.68Å; R380-E477 IonicContact NE-OE1 3.47Å; R380-E477 PolarHBondContact NE-OE1 2.73Å; R380-E477 IonicContact NE-OE2 3.31Å; R380-E477 PolarHBondContact NE-OE2 2.67Å; R380-E477 IonicContact NH2-OE1 3.6Å; R380-E477 IonicContact NH2-OE2 3.07Å; R380-E477 PolarHBondContact NH2-OE2 2.86Å; Y473-E477 HydrophobicContact CD2-CG 4.14Å; Y473-E477 HydrophobicContact CE1-CG 4.19Å; Y473-E477 HydrophobicContact CE2-CG 3.52Å; Y473-E477 VanDerWaalsContact CE2-OE1 3.23Å; Y473-E477 WeakPolarHBondContact CE2-OE1 3.37Å; Y473-E477 VanDerWaalsContact CZ-OE1 3.28Å; Y473-E477 PolarHBondContact O-N 2.84Å; Y473-E477 PolarHBondContact OH-OE1 2.93Å; E477-Y479 VanDerWaalsContact C-N 3.3Å; E477-Y479 PolarHBondContact O-N 3.11Å; E477-I480 PolarHBondContact O-N 2.85Å; E477-R481 WeakPolarHBondContact O-CB 3.35Å; E477-R481 PolarHBondContact O-N 2.95Å
478	F	93.9	Very high	93.7	Very high	1 Å²	1	31 Å²	31	0%	0.004	14%	0.139	C	C	.	.	H	α-helix	trans	-55.4	-46	171.5	165	-89.5	0	0	0	111.6	L146 Y150 Q189 F345 Q349 Y474 K475 N476 R481 R482	L146-F478 HydrophobicContact CD1-CB 3.91Å; L146-F478 HydrophobicContact CD1-CD2 4.18Å; L146-F478 HydrophobicContact CD1-CG 4.04Å; L146-F478 HydrophobicContact CD2-CB 4.29Å; L146-F478 HydrophobicContact CD2-CD1 3.73Å; L146-F478 HydrophobicContact CD2-CD2 4.04Å; L146-F478 HydrophobicContact CD2-CE1 4.1Å; L146-F478 HydrophobicContact CD2-CE2 4.4Å; L146-F478 HydrophobicContact CD2-CG 3.73Å; L146-F478 HydrophobicContact CD2-CZ 4.43Å; Y150-F478 HydrophobicContact CD2-CZ 4.38Å; Y150-F478 HydrophobicContact CE1-CZ 4.43Å; Y150-F478 AromaticContact CE2-CE1 3.82Å; Y150-F478 HydrophobicContact CE2-CE1 3.82Å; Y150-F478 AromaticContact CE2-CE2 3.97Å; Y150-F478 HydrophobicContact CE2-CE2 3.97Å; Y150-F478 AromaticContact CE2-CZ 3.39Å; Y150-F478 HydrophobicContact CE2-CZ 3.39Å; Y150-F478 AromaticContact CZ-CE1 3.86Å; Y150-F478 AromaticContact CZ-CZ 3.43Å; Y150-F478 VanDerWaalsContact CZ-CZ 3.43Å; Y150-F478 WeakPolarHBondContact OH-CE1 3.39Å; Y150-F478 WeakPolarHBondContact OH-CZ 3.42Å; Q189-F478 HydrophobicContact CB-CE2 4.48Å; Q189-F478 HydrophobicContact CG-CD2 4.46Å; Q189-F478 HydrophobicContact CG-CE2 4.04Å; F345-F478 HydrophobicContact CE2-CD2 4.28Å; F345-F478 AromaticContact CE2-CE2 3.73Å; F345-F478 HydrophobicContact CE2-CE2 3.73Å; F345-F478 AromaticContact CZ-CD2 3.8Å; F345-F478 HydrophobicContact CZ-CD2 3.8Å; F345-F478 AromaticContact CZ-CE2 3.56Å; F345-F478 HydrophobicContact CZ-CE2 3.56Å; Q349-F478 VanDerWaalsContact OE1-CD2 3.25Å; Y474-F478 PolarHBondContact O-N 3.32Å; K475-F478 WeakPolarHBondContact O-CB 3.39Å; K475-F478 PolarHBondContact O-N 2.78Å; N476-F478 VanDerWaalsContact C-N 3.33Å; N476-F478 PolarHBondContact O-N 2.97Å; F478-R481 PolarHBondContact O-N 3.04Å; F478-R482 WeakPolarHBondContact O-CB 3.3Å; F478-R482 PolarHBondContact O-N 3.22Å
479	Y	94.5	Very high	93.5	Very high	16 Å²	16	30 Å²	30	6%	0.063	14%	0.135	C	C	.	.	H	α-helix	trans	-66.9	-42.9	180	-69.9	-40.3	0	0	0	113.2	Y466 P467 I468 K475 N476 E477 R481 R482 A483	Y466-Y479 AromaticContact CD1-CD1 3.38Å; Y466-Y479 HydrophobicContact CD1-CD1 3.38Å; Y466-Y479 AromaticContact CD1-CE1 3.8Å; Y466-Y479 HydrophobicContact CD1-CE1 3.8Å; Y466-Y479 AromaticContact CD1-CG 3.95Å; Y466-Y479 HydrophobicContact CD1-CG 3.95Å; Y466-Y479 HydrophobicContact CE1-CD1 4.01Å; Y466-Y479 HydrophobicContact CE1-CE1 4.44Å; Y466-Y479 AromaticContact CG-CD1 3.76Å; Y466-Y479 HydrophobicContact CG-CD1 3.76Å; Y466-Y479 HydrophobicContact CG-CE1 4.49Å; Y466-Y479 AromaticContact CG-CG 3.83Å; Y466-Y479 HydrophobicContact CG-CG 3.83Å; P467-Y479 HydrophobicContact CG-CE2 3.96Å; I468-Y479 HydrophobicContact CD1-CD2 4.22Å; K475-Y479 HydrophobicContact CD-CE2 4.33Å; K475-Y479 WeakPolarHBondContact CE-OH 3.44Å; K475-Y479 HydrophobicContact CG-CD2 4.37Å; K475-Y479 HydrophobicContact CG-CE2 3.85Å; K475-Y479 WeakPolarHBondContact O-CD2 3.03Å; K475-Y479 PolarHBondContact O-N 3.39Å; K475-Y479 VanDerWaalsContact O-N 3.13Å; N476-Y479 WeakPolarHBondContact O-CB 3.35Å; N476-Y479 PolarHBondContact O-N 2.78Å; N476-Y479 VanDerWaalsContact O-N 3.08Å; E477-Y479 VanDerWaalsContact C-N 3.3Å; E477-Y479 PolarHBondContact O-N 3.11Å; Y479-R481 VanDerWaalsContact C-N 3.32Å; Y479-R481 PolarHBondContact O-N 2.98Å; Y479-R482 PolarHBondContact O-N 3.35Å; Y479-A483 VanDerWaalsContact O-CB 3.31Å; Y479-A483 WeakPolarHBondContact O-CB 3.4Å; Y479-A483 PolarHBondContact O-N 3.41Å
480	I	95.3	Very high	93.4	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-57.7	-48.4	174.8	-74.9	165.3	0	0	0	110.1	F126 F385 V463 N476 E477 R482 A483 K484	F126-I480 HydrophobicContact CD1-CD1 4.37Å; F126-I480 HydrophobicContact CD2-CD1 3.56Å; F126-I480 HydrophobicContact CE1-CD1 4.07Å; F126-I480 HydrophobicContact CE2-CD1 3.18Å; F126-I480 HydrophobicContact CG-CD1 4.13Å; F126-I480 HydrophobicContact CZ-CD1 3.45Å; F126-I480 VanDerWaalsContact CZ-CD1 3.45Å; F385-I480 HydrophobicContact CE2-CD1 4.03Å; F385-I480 HydrophobicContact CE2-CG1 4.38Å; V463-I480 HydrophobicContact CG2-CG1 3.82Å; N476-I480 PolarHBondContact O-N 3.41Å; E477-I480 PolarHBondContact O-N 2.85Å; I480-R482 VanDerWaalsContact C-N 3.35Å; I480-R482 PolarHBondContact O-N 3.24Å; I480-A483 WeakPolarHBondContact O-CB 3.4Å; I480-A483 PolarHBondContact O-N 2.97Å; I480-K484 HydrophobicContact CG2-CD 4.37Å; I480-K484 WeakPolarHBondContact O-CG 3.37Å; I480-K484 PolarHBondContact O-N 3.43Å
481	R	93.1	Very high	93.2	Very high	39 Å²	39	20 Å²	20	15%	0.147	9%	0.094	C	C	.	.	H	α-helix	trans	-62.4	-43.8	-178.8	-173	161.4	-175.4	-97.4	-1.1	112.3	T190 E348 E477 F478 Y479 K484 Y485	T190-R481 VanDerWaalsContact CG2-NH2 3.3Å; E348-R481 VanDerWaalsContact C-NH1 3.34Å; E348-R481 PolarHBondContact O-NE 3.37Å; E348-R481 PolarHBondContact O-NH1 3.04Å; E348-R481 PolarHBondContact O-NH2 2.72Å; E348-R481 IonicContact OE2-CZ 3.85Å; E348-R481 IonicContact OE2-NH2 2.97Å; E348-R481 PolarHBondContact OE2-NH2 3.25Å; E477-R481 WeakPolarHBondContact O-CB 3.35Å; E477-R481 PolarHBondContact O-N 2.95Å; F478-R481 PolarHBondContact O-N 3.04Å; Y479-R481 VanDerWaalsContact C-N 3.32Å; Y479-R481 PolarHBondContact O-N 2.98Å; R481-K484 PolarHBondContact O-N 3.08Å; R481-Y485 PolarHBondContact O-N 3.41Å
482	R	93.7	Very high	93.1	Very high	21 Å²	21	18.9 Å²	18.9	8%	0.079	8%	0.083	C	C	.	.	H	α-helix	trans	-63.2	-42.2	174.6	-176.6	177	162.2	134.9	-9.4	111.8	Y150 Q189 Q298 Y466 F478 Y479 I480 Y485 V486	Y150-R482 PolarHBondContact OH-NH1 2.94Å; Q189-R482 HydrophobicContact CG-CB 4.19Å; Q298-R482 VanDerWaalsContact NE2-CZ 3.26Å; Y466-R482 WeakPolarHBondContact OH-CD 3.4Å; Y466-R482 WeakPolarHBondContact OH-CG 3.45Å; Y466-R482 PolarHBondContact OH-NE 3.47Å; F478-R482 WeakPolarHBondContact O-CB 3.3Å; F478-R482 PolarHBondContact O-N 3.22Å; Y479-R482 PolarHBondContact O-N 3.35Å; I480-R482 VanDerWaalsContact C-N 3.35Å; I480-R482 PolarHBondContact O-N 3.24Å; R482-Y485 PolarHBondContact O-N 3.25Å; R482-V486 WeakPolarHBondContact O-CG2 3.35Å; R482-V486 PolarHBondContact O-N 3.21Å; R482-V486 VanDerWaalsContact O-N 3.07Å
483	A	94.7	Very high	93	Very high	1 Å²	1	18 Å²	18	1%	0.008	8%	0.078	C	C	.	.	H	α-helix	trans	-58.8	-48.4	177.4	0	0	0	0	0	111.6	V463 Y466 Y479 I480 Y485 V486 D487	V463-A483 HydrophobicContact CB-CB 3.79Å; V463-A483 HydrophobicContact CG2-CB 4.28Å; Y466-A483 HydrophobicContact CD2-CB 4.11Å; Y466-A483 HydrophobicContact CE2-CB 3.83Å; Y479-A483 VanDerWaalsContact O-CB 3.31Å; Y479-A483 WeakPolarHBondContact O-CB 3.4Å; Y479-A483 PolarHBondContact O-N 3.41Å; I480-A483 WeakPolarHBondContact O-CB 3.4Å; I480-A483 PolarHBondContact O-N 2.97Å; A483-Y485 VanDerWaalsContact C-N 3.31Å; A483-Y485 PolarHBondContact O-N 3.25Å; A483-V486 CarbonylContact O-C 3.44Å; A483-V486 PolarHBondContact O-N 2.58Å; A483-V486 VanDerWaalsContact O-N 3.08Å; A483-D487 VanDerWaalsContact O-CG 3.28Å; A483-D487 PolarHBondContact O-N 2.81Å
484	K	93.4	Very high	92.5	Very high	69 Å²	69	21.3 Å²	21.3	30%	0.3	10%	0.096	S	C	.	.	H	α-helix	trans	-57.3	-42.3	177.8	-73.4	-180	172.7	-156.2	0	113.7	D383 I480 R481 D487 T488	D383-K484 WeakPolarHBondContact O-CE 3.43Å; D383-K484 PolarHBondContact O-NZ 2.92Å; D383-K484 IonicContact OD1-NZ 2.74Å; D383-K484 PolarHBondContact OD1-NZ 3.25Å; D383-K484 IonicContact OD2-NZ 3.66Å; D383-K484 PolarHBondContact OD2-NZ 3.1Å; I480-K484 HydrophobicContact CG2-CD 4.37Å; I480-K484 WeakPolarHBondContact O-CG 3.37Å; I480-K484 PolarHBondContact O-N 3.43Å; R481-K484 PolarHBondContact O-N 3.08Å; K484-D487 PolarHBondContact O-N 2.74Å; K484-T488 WeakPolarHBondContact O-CB 3.35Å; K484-T488 PolarHBondContact O-N 2.97Å; K484-T488 PolarHBondContact O-OG1 2.63Å
485	Y	93.8	Very high	91.7	Very high	24 Å²	24	25.4 Å²	25.4	9%	0.094	11%	0.114	C	C	.	.	H	α-helix	trans	-63.4	-45.7	175.7	172.1	-114.6	0	0	0	111.4	L187 Q189 T190 G191 V295 R481 R482 A483 D487 T488 L489	L187-Y485 WeakPolarHBondContact O-CE1 3.28Å; L187-Y485 PolarHBondContact O-OH 3Å; Q189-Y485 WeakPolarHBondContact O-CB 3.07Å; Q189-Y485 WeakPolarHBondContact O-CD1 3.44Å; T190-Y485 VanDerWaalsContact C-CE2 3.47Å; G191-Y485 WeakPolarHBondContact CA-OH 3.41Å; G191-Y485 VanDerWaalsContact N-CE2 3.33Å; V295-Y485 HydrophobicContact CG1-CE1 4.38Å; V295-Y485 WeakPolarHBondContact CG1-OH 3.37Å; R481-Y485 PolarHBondContact O-N 3.41Å; R482-Y485 PolarHBondContact O-N 3.25Å; A483-Y485 VanDerWaalsContact C-N 3.31Å; A483-Y485 PolarHBondContact O-N 3.25Å; Y485-D487 PolarHBondContact O-N 3.03Å; Y485-T488 WeakPolarHBondContact O-CB 3.44Å; Y485-T488 PolarHBondContact O-N 2.78Å; Y485-L489 HydrophobicContact CD1-CD1 4.38Å; Y485-L489 HydrophobicContact CD2-CG 4.47Å; Y485-L489 HydrophobicContact CE1-CD1 3.68Å; Y485-L489 HydrophobicContact CE1-CG 4.36Å; Y485-L489 HydrophobicContact CE2-CD1 4.11Å; Y485-L489 HydrophobicContact CE2-CD2 4.07Å; Y485-L489 HydrophobicContact CE2-CG 3.96Å; Y485-L489 PolarHBondContact O-N 3.45Å
486	V	94.2	Very high	90.8	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-62.1	-42.5	176.5	175.4	0	0	0	0	111.4	Q298 T462 R482 A483 T488 L489 K490	Q298-V486 HydrophobicContact CB-CG1 4.38Å; Q298-V486 HydrophobicContact CB-CG2 3.99Å; Q298-V486 WeakPolarHBondContact O-CG1 3.38Å; T462-V486 HydrophobicContact CG2-CB 4.19Å; T462-V486 HydrophobicContact CG2-CG1 3.96Å; R482-V486 WeakPolarHBondContact O-CG2 3.35Å; R482-V486 PolarHBondContact O-N 3.21Å; R482-V486 VanDerWaalsContact O-N 3.07Å; A483-V486 CarbonylContact O-C 3.44Å; A483-V486 PolarHBondContact O-N 2.58Å; A483-V486 VanDerWaalsContact O-N 3.08Å; V486-T488 VanDerWaalsContact C-N 3.29Å; V486-T488 PolarHBondContact O-N 2.67Å; V486-L489 PolarHBondContact O-N 2.91Å; V486-K490 HydrophobicContact CG1-CD 4.06Å; V486-K490 HydrophobicContact CG1-CG 4.27Å; V486-K490 VanDerWaalsContact O-CB 3.31Å; V486-K490 WeakPolarHBondContact O-CB 3.28Å; V486-K490 WeakPolarHBondContact O-CG 3.32Å; V486-K490 PolarHBondContact O-N 3.34Å
487	D	93.7	Very high	89.8	Confident	8 Å²	8	34 Å²	34	4%	0.043	16%	0.158	C	C	.	.	H	α-helix	trans	-63.9	-35.6	177.2	-67.9	-25.5	0	0	0	112	T462 A483 K484 Y485 T491 I501	T462-D487 WeakPolarHBondContact CB-OD1 3.33Å; T462-D487 PolarHBondContact N-OD1 2.89Å; T462-D487 PolarHBondContact N-OD2 2.87Å; T462-D487 VanDerWaalsContact N-OD2 3.09Å; T462-D487 PolarHBondContact OG1-OD1 3.23Å; A483-D487 VanDerWaalsContact O-CG 3.28Å; A483-D487 PolarHBondContact O-N 2.81Å; K484-D487 PolarHBondContact O-N 2.74Å; Y485-D487 PolarHBondContact O-N 3.03Å; D487-T491 WeakPolarHBondContact O-CB 3.24Å; D487-T491 PolarHBondContact O-N 3.2Å; D487-T491 PolarHBondContact O-OG1 2.79Å; D487-I501 HydrophobicContact CB-CG2 4.27Å
488	T	92.9	Very high	89	Confident	36 Å²	36	35 Å²	35	22%	0.221	17%	0.165	C	C	.	.	H	α-helix	trans	-62.9	-48.6	172.7	-58.6	0	0	0	0	111.2	K484 Y485 V486 T491 R492	K484-T488 WeakPolarHBondContact O-CB 3.35Å; K484-T488 PolarHBondContact O-N 2.97Å; K484-T488 PolarHBondContact O-OG1 2.63Å; Y485-T488 WeakPolarHBondContact O-CB 3.44Å; Y485-T488 PolarHBondContact O-N 2.78Å; V486-T488 VanDerWaalsContact C-N 3.29Å; V486-T488 PolarHBondContact O-N 2.67Å; T488-T491 PolarHBondContact O-N 2.74Å; T488-R492 WeakPolarHBondContact O-CG 3.18Å; T488-R492 PolarHBondContact O-N 3.36Å; T488-R492 VanDerWaalsContact O-N 3.11Å
489	L	92.6	Very high	88	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.1	-45.7	177.7	-67	-179.3	0	0	0	112	I200 V295 T299 Y485 V486 T491 R492 L493	I200-L489 HydrophobicContact CG1-CD2 3.76Å; V295-L489 HydrophobicContact CG1-CD1 4.06Å; T299-L489 HydrophobicContact CG2-CB 3.47Å; T299-L489 VanDerWaalsContact CG2-CB 3.47Å; T299-L489 HydrophobicContact CG2-CD1 3.9Å; T299-L489 HydrophobicContact CG2-CG 4.39Å; Y485-L489 HydrophobicContact CD1-CD1 4.38Å; Y485-L489 HydrophobicContact CD2-CG 4.47Å; Y485-L489 HydrophobicContact CE1-CD1 3.68Å; Y485-L489 HydrophobicContact CE1-CG 4.36Å; Y485-L489 HydrophobicContact CE2-CD1 4.11Å; Y485-L489 HydrophobicContact CE2-CD2 4.07Å; Y485-L489 HydrophobicContact CE2-CG 3.96Å; Y485-L489 PolarHBondContact O-N 3.45Å; V486-L489 PolarHBondContact O-N 2.91Å; L489-T491 VanDerWaalsContact C-N 3.3Å; L489-T491 PolarHBondContact O-N 3.37Å; L489-R492 PolarHBondContact O-N 3.08Å; L489-L493 WeakPolarHBondContact O-CB 3.47Å; L489-L493 VanDerWaalsContact O-CG 3.29Å; L489-L493 WeakPolarHBondContact O-CG 3.3Å; L489-L493 PolarHBondContact O-N 3.46Å
490	K	90.7	Very high	87.1	Confident	20 Å²	20	35.8 Å²	35.8	9%	0.087	17%	0.172	C	C	.	.	H	α-helix	trans	-51.8	-49.5	175.3	-85.9	179.9	175.9	177.2	0	111.1	T299 T462 V486 L493 N494 Y496	T299-K490 HydrophobicContact CG2-CG 4.41Å; T462-K490 PolarHBondContact OG1-NZ 2.98Å; V486-K490 HydrophobicContact CG1-CD 4.06Å; V486-K490 HydrophobicContact CG1-CG 4.27Å; V486-K490 VanDerWaalsContact O-CB 3.31Å; V486-K490 WeakPolarHBondContact O-CB 3.28Å; V486-K490 WeakPolarHBondContact O-CG 3.32Å; V486-K490 PolarHBondContact O-N 3.34Å; K490-L493 PolarHBondContact O-N 2.85Å; K490-N494 PolarHBondContact O-N 3.47Å; K490-Y496 HydrophobicContact CB-CE2 3.81Å; K490-Y496 WeakPolarHBondContact O-CE2 3.45Å
491	T	90.3	Very high	86.3	Confident	6 Å²	6	38.4 Å²	38.4	4%	0.037	19%	0.186	C	C	.	.	H	α-helix	trans	-59.3	-50.3	178	-58.2	0	0	0	0	112.1	D487 T488 L489 L493 K495 S499 P500 I501	D487-T491 WeakPolarHBondContact O-CB 3.24Å; D487-T491 PolarHBondContact O-N 3.2Å; D487-T491 PolarHBondContact O-OG1 2.79Å; T488-T491 PolarHBondContact O-N 2.74Å; L489-T491 VanDerWaalsContact C-N 3.3Å; L489-T491 PolarHBondContact O-N 3.37Å; T491-L493 PolarHBondContact O-N 3.07Å; T491-K495 WeakPolarHBondContact O-CA 3.4Å; T491-K495 PolarHBondContact O-N 2.86Å; T491-S499 WeakPolarHBondContact CG2-OG 3.12Å; T491-S499 PolarHBondContact OG1-OG 3.27Å; T491-P500 WeakPolarHBondContact OG1-CD 3.48Å; T491-I501 HydrophobicContact CG2-CD1 3.74Å; T491-I501 HydrophobicContact CG2-CG1 3.68Å
492	R	90.1	Very high	85.8	Confident	65 Å²	65	39.3 Å²	39.3	25%	0.245	21%	0.208	C	C	.	.	H	α-helix	trans	-65.4	-27.4	-177.4	-68.2	176.8	172.3	157	6.7	113.3	N199 I200 E202 F205 T488 L489	N199-R492 PolarHBondContact ND2-NH1 3.31Å; N199-R492 PolarHBondContact OD1-NH1 3.5Å; I200-R492 HydrophobicContact CB-CB 3.96Å; I200-R492 HydrophobicContact CG2-CB 3.81Å; I200-R492 WeakPolarHBondContact O-CD 3.39Å; E202-R492 HydrophobicContact CB-CB 4.38Å; E202-R492 HydrophobicContact CB-CG 4.19Å; E202-R492 HydrophobicContact CG-CG 4.49Å; F205-R492 WeakPolarHBondContact CD1-O 3.36Å; F205-R492 WeakPolarHBondContact CE1-O 3.27Å; T488-R492 WeakPolarHBondContact O-CG 3.18Å; T488-R492 PolarHBondContact O-N 3.36Å; T488-R492 VanDerWaalsContact O-N 3.11Å; L489-R492 PolarHBondContact O-N 3.08Å
493	L	88.9	Confident	85.5	Confident	6 Å²	6	41.1 Å²	41.1	3%	0.031	22%	0.221	C	C	.	.	H	α-helix	trans	-88.8	-35.3	-178.5	-70.8	169	0	0	0	114	I200 L296 T299 Y301 L307 L489 K490 T491	I200-L493 HydrophobicContact CD1-CD2 4.12Å; I200-L493 HydrophobicContact CG1-CD2 4.2Å; I200-L493 HydrophobicContact CG1-CG 4.3Å; I200-L493 HydrophobicContact CG2-CD2 3.98Å; I200-L493 HydrophobicContact CG2-CG 4.37Å; L296-L493 HydrophobicContact CD2-CD1 4.26Å; T299-L493 HydrophobicContact CG2-CD1 3.96Å; Y301-L493 HydrophobicContact CD1-CD2 4.35Å; Y301-L493 HydrophobicContact CD2-CB 3.83Å; Y301-L493 HydrophobicContact CD2-CD2 4.48Å; Y301-L493 HydrophobicContact CE1-CD2 4.42Å; Y301-L493 HydrophobicContact CE2-CB 4.22Å; Y301-L493 HydrophobicContact CG-CB 4.25Å; Y301-L493 HydrophobicContact CG-CD1 4.1Å; Y301-L493 HydrophobicContact CG-CD2 4.39Å; Y301-L493 HydrophobicContact CG-CG 4.49Å; L307-L493 HydrophobicContact CD1-CD2 3.7Å; L307-L493 HydrophobicContact CD2-CD2 4.17Å; L489-L493 WeakPolarHBondContact O-CB 3.47Å; L489-L493 VanDerWaalsContact O-CG 3.29Å; L489-L493 WeakPolarHBondContact O-CG 3.3Å; L489-L493 PolarHBondContact O-N 3.46Å; K490-L493 PolarHBondContact O-N 2.85Å; T491-L493 PolarHBondContact O-N 3.07Å
494	N	83.7	Confident	85.5	Confident	70 Å²	70	42.2 Å²	42.2	37%	0.374	23%	0.228	S	C	.	.	H	α-helix	trans	-111.1	-6.4	-173.4	-67.9	-35.2	0	0	0	114.2	K490 Y496	K490-N494 PolarHBondContact O-N 3.47Å; N494-Y496 HydrophobicContact CB-CD2 4.05Å; N494-Y496 HydrophobicContact CB-CE1 4.43Å; N494-Y496 HydrophobicContact CB-CE2 3.58Å; N494-Y496 PolarHBondContact ND2-OH 3.45Å; N494-Y496 PolarHBondContact O-N 3.15Å
495	K	75.6	Confident	85.5	Confident	109 Å²	109	39.5 Å²	39.5	47%	0.474	22%	0.216	S	C	.	.			trans	44.5	58.1	-175	-69.5	-171.3	175.5	169.8	0	112.3	E202 F205 T491	E202-K495 WeakPolarHBondContact O-CE 3.46Å; F205-K495 HydrophobicContact CE1-CD 4.24Å; F205-K495 HydrophobicContact CE1-CG 4.07Å; F205-K495 HydrophobicContact CZ-CD 3.61Å; F205-K495 HydrophobicContact CZ-CG 3.94Å; T491-K495 WeakPolarHBondContact O-CA 3.4Å; T491-K495 PolarHBondContact O-N 2.86Å
496	Y	73.8	Confident	85.7	Confident	59 Å²	59	38.8 Å²	38.8	23%	0.231	21%	0.214	C	C	.	.			trans	-58.3	140.3	176.2	-69.1	-79.1	0	0	0	111.4	F460 K490 N494 S499	F460-Y496 HydrophobicContact CD1-CD1 4.07Å; F460-Y496 AromaticContact CD1-CE1 3.7Å; F460-Y496 HydrophobicContact CD1-CE1 3.7Å; F460-Y496 HydrophobicContact CD2-CD1 4.16Å; F460-Y496 AromaticContact CE1-CD1 3.92Å; F460-Y496 HydrophobicContact CE1-CD1 3.92Å; F460-Y496 AromaticContact CE1-CE1 3.56Å; F460-Y496 HydrophobicContact CE1-CE1 3.56Å; F460-Y496 AromaticContact CE2-CD1 3.99Å; F460-Y496 HydrophobicContact CE2-CD1 3.99Å; F460-Y496 HydrophobicContact CE2-CE1 4.46Å; F460-Y496 HydrophobicContact CG-CD1 4.21Å; F460-Y496 HydrophobicContact CG-CE1 4.27Å; F460-Y496 AromaticContact CZ-CD1 3.89Å; F460-Y496 HydrophobicContact CZ-CD1 3.89Å; F460-Y496 AromaticContact CZ-CE1 3.97Å; F460-Y496 HydrophobicContact CZ-CE1 3.97Å; K490-Y496 HydrophobicContact CB-CE2 3.81Å; K490-Y496 WeakPolarHBondContact O-CE2 3.45Å; N494-Y496 HydrophobicContact CB-CD2 4.05Å; N494-Y496 HydrophobicContact CB-CE1 4.43Å; N494-Y496 HydrophobicContact CB-CE2 3.58Å; N494-Y496 PolarHBondContact ND2-OH 3.45Å; N494-Y496 PolarHBondContact O-N 3.15Å; Y496-S499 PolarHBondContact O-N 3.03Å
497	N	72.7	Confident	85.8	Confident	157 Å²	157	44.6 Å²	44.6	84%	0.84	24%	0.235	S	C	*	.	S	Bend	trans	-133.5	110.3	170.6	-174	13.2	0	0	0	109.7
498	P	77.4	Confident	86	Confident	26 Å²	26	45.2 Å²	45.2	17%	0.169	24%	0.239	C	C	.	.	S	Bend	cis	-70.8	151.3	-0.9	31.4	-36.1	0	0	0	112.2	A453 V456 K457	A453-P498 HydrophobicContact CB-CB 4.49Å; A453-P498 HydrophobicContact CB-CG 4.22Å; V456-P498 HydrophobicContact CB-CG 3.99Å; V456-P498 HydrophobicContact CG1-CG 3.89Å; K457-P498 HydrophobicContact CG-CB 3.97Å; K457-P498 HydrophobicContact CG-CG 3.91Å
499	S	73	Confident	86.1	Confident	28 Å²	28	44.6 Å²	44.6	20%	0.196	24%	0.238	C	C	.	.			trans	-73.9	136.3	175.1	180	0	0	0	0	111.6	K457 T491 Y496 I501	K457-S499 WeakPolarHBondContact CG-O 3.48Å; T491-S499 WeakPolarHBondContact CG2-OG 3.12Å; T491-S499 PolarHBondContact OG1-OG 3.27Å; Y496-S499 PolarHBondContact O-N 3.03Å; S499-I501 WeakPolarHBondContact CB-O 3.5Å; S499-I501 PolarHBondContact O-N 3.49Å; S499-I501 WeakPolarHBondContact OG-CG1 3.2Å; S499-I501 PolarHBondContact OG-N 3.21Å; S499-I501 VanDerWaalsContact OG-N 3.1Å; S499-I501 PolarHBondContact OG-O 3.12Å; S499-I501 VanDerWaalsContact OG-O 3.13Å
500	P	76.3	Confident	86.4	Confident	5 Å²	5	45.4 Å²	45.4	3%	0.032	25%	0.245	C	C	.	.	S	Bend	trans	-74.8	-2	170.1	33.5	-36.9	0	0	0	112.9	W387 F460 T491	W387-P500 VanDerWaalsContact CZ2-O 3.28Å; W387-P500 WeakPolarHBondContact CZ2-O 3.48Å; W387-P500 PolarHBondContact NE1-O 3.43Å; F460-P500 HydrophobicContact CB-CB 4.05Å; F460-P500 HydrophobicContact CB-CG 4.17Å; T491-P500 WeakPolarHBondContact OG1-CD 3.48Å
501	I	77.9	Confident	86.7	Confident	57 Å²	57	47.5 Å²	47.5	29%	0.292	26%	0.255	S	S	.	.	S	Bend	trans	-103.9	142.1	164.2	63.2	169.5	0	0	0	109.4	D487 T491 S499	D487-I501 HydrophobicContact CB-CG2 4.27Å; T491-I501 HydrophobicContact CG2-CD1 3.74Å; T491-I501 HydrophobicContact CG2-CG1 3.68Å; S499-I501 WeakPolarHBondContact CB-O 3.5Å; S499-I501 PolarHBondContact O-N 3.49Å; S499-I501 WeakPolarHBondContact OG-CG1 3.2Å; S499-I501 PolarHBondContact OG-N 3.21Å; S499-I501 VanDerWaalsContact OG-N 3.1Å; S499-I501 PolarHBondContact OG-O 3.12Å; S499-I501 VanDerWaalsContact OG-O 3.13Å
502	G	82	Confident	87	Confident	58 Å²	58	48.1 Å²	48.1	60%	0.598	26%	0.257	S	S	*	.	S	Bend	trans	155.8	-175.3	179.5	0	0	0	0	0	111.8
503	T	88	Confident	87.2	Confident	59 Å²	59	48.9 Å²	48.9	36%	0.362	26%	0.26	S	S	.	.			trans	-92.4	131.4	175.8	-67.4	0	0	0	0	108.9	R507 Y522	T503-R507 HydrophobicContact CG2-CG 4.44Å; T503-Y522 HydrophobicContact CG2-CE1 4.38Å
504	P	94.2	Very high	87.2	Confident	24 Å²	24	51.2 Å²	51.2	16%	0.156	27%	0.272	C	S	.	.			trans	-65.6	148.6	175.1	24.9	-32.3	0	0	0	112.4	P386 W387 E390 F506 R507	P386-P504 HydrophobicContact CB-CB 4.27Å; P386-P504 HydrophobicContact CB-CG 4.44Å; W387-P504 HydrophobicContact CZ3-CB 4.29Å; E390-P504 WeakPolarHBondContact OE2-CA 3.36Å; P504-F506 HydrophobicContact CB-CD1 3.71Å; P504-F506 HydrophobicContact CB-CD2 4.48Å; P504-F506 HydrophobicContact CB-CE1 3.29Å; P504-F506 HydrophobicContact CB-CE2 4.08Å; P504-F506 HydrophobicContact CB-CG 4.31Å; P504-F506 HydrophobicContact CB-CZ 3.49Å; P504-F506 VanDerWaalsContact CB-CZ 3.49Å; P504-F506 HydrophobicContact CG-CE1 4Å; P504-F506 HydrophobicContact CG-CE2 3.99Å; P504-F506 HydrophobicContact CG-CZ 3.63Å; P504-R507 HydrophobicContact CG-CG 4.4Å; P504-R507 WeakPolarHBondContact O-CG 3.49Å
505	E	94.7	Very high	87.4	Confident	12 Å²	12	52.5 Å²	52.5	6%	0.056	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-6.2	-171.8	-61.4	173.9	-169.2	0	0	112.3	E390 I394 F445 Y448 S449 K457 R507 S523	E390-E505 HydrophobicContact CG-CB 4.47Å; E390-E505 PolarHBondContact OE2-N 3.15Å; I394-E505 HydrophobicContact CD1-CB 4.42Å; F445-E505 HydrophobicContact CE1-CG 4.45Å; F445-E505 HydrophobicContact CZ-CG 3.86Å; Y448-E505 WeakPolarHBondContact CA-OE2 3.42Å; Y448-E505 WeakPolarHBondContact CB-OE2 2.89Å; S449-E505 PolarHBondContact N-OE2 3.1Å; S449-E505 PolarHBondContact OG-OE1 3.49Å; S449-E505 PolarHBondContact OG-OE2 3.42Å; K457-E505 IonicContact NZ-OE1 2.96Å; K457-E505 PolarHBondContact NZ-OE1 2.81Å; E505-R507 VanDerWaalsContact C-N 3.35Å; E505-S523 WeakPolarHBondContact O-CB 3.4Å; E505-S523 PolarHBondContact O-N 2.93Å; E505-S523 PolarHBondContact O-OG 3.43Å
506	F	96.6	Very high	88.2	Confident	9 Å²	9	50 Å²	50	4%	0.039	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	7.2	177.8	59	-109	0	0	0	115	V100 F104 K382 P386 L389 E390 Y393 P504 S523 G524	V100-F506 HydrophobicContact CG1-CD2 4.12Å; F104-F506 HydrophobicContact CE2-CD1 4.49Å; F104-F506 AromaticContact CE2-CD2 3.69Å; F104-F506 HydrophobicContact CE2-CD2 3.69Å; F104-F506 HydrophobicContact CE2-CE1 4.49Å; F104-F506 AromaticContact CE2-CE2 3.75Å; F104-F506 HydrophobicContact CE2-CE2 3.75Å; F104-F506 HydrophobicContact CE2-CG 4.1Å; F104-F506 HydrophobicContact CE2-CZ 4.14Å; F104-F506 HydrophobicContact CZ-CB 4.16Å; F104-F506 AromaticContact CZ-CD1 3.81Å; F104-F506 HydrophobicContact CZ-CD1 3.81Å; F104-F506 AromaticContact CZ-CD2 3.73Å; F104-F506 HydrophobicContact CZ-CD2 3.73Å; F104-F506 HydrophobicContact CZ-CE1 4.06Å; F104-F506 HydrophobicContact CZ-CE2 4.04Å; F104-F506 AromaticContact CZ-CG 3.63Å; F104-F506 HydrophobicContact CZ-CG 3.63Å; F104-F506 HydrophobicContact CZ-CZ 4.18Å; K382-F506 HydrophobicContact CB-CZ 4.33Å; K382-F506 HydrophobicContact CD-CE2 3.86Å; K382-F506 HydrophobicContact CD-CZ 4.45Å; K382-F506 HydrophobicContact CG-CE2 4.14Å; K382-F506 HydrophobicContact CG-CZ 4.23Å; P386-F506 WeakPolarHBondContact O-CE1 3.27Å; L389-F506 HydrophobicContact CB-CE1 4.27Å; E390-F506 HydrophobicContact CB-CD1 3.76Å; E390-F506 HydrophobicContact CB-CE1 4.03Å; E390-F506 HydrophobicContact CG-CD1 4.31Å; Y393-F506 HydrophobicContact CD1-CB 3.45Å; Y393-F506 VanDerWaalsContact CD1-CB 3.45Å; Y393-F506 HydrophobicContact CD2-CB 4.27Å; Y393-F506 HydrophobicContact CE1-CB 3.89Å; Y393-F506 HydrophobicContact CG-CB 3.68Å; P504-F506 HydrophobicContact CB-CD1 3.71Å; P504-F506 HydrophobicContact CB-CD2 4.48Å; P504-F506 HydrophobicContact CB-CE1 3.29Å; P504-F506 HydrophobicContact CB-CE2 4.08Å; P504-F506 HydrophobicContact CB-CG 4.31Å; P504-F506 HydrophobicContact CB-CZ 3.49Å; P504-F506 VanDerWaalsContact CB-CZ 3.49Å; P504-F506 HydrophobicContact CG-CE1 4Å; P504-F506 HydrophobicContact CG-CE2 3.99Å; P504-F506 HydrophobicContact CG-CZ 3.63Å; F506-S523 WeakPolarHBondContact CA-OG 3.35Å; F506-G524 WeakPolarHBondContact O-CA 3.22Å
507	R	96.4	Very high	89.2	Confident	122 Å²	122	47.3 Å²	47.3	46%	0.46	26%	0.259	S	S	.	.			trans	-68.5	151.3	-178.5	-68.1	176.8	68.6	159.4	3.6	111.9	T503 P504 E505 A509 Y522 G524	T503-R507 HydrophobicContact CG2-CG 4.44Å; P504-R507 HydrophobicContact CG-CG 4.4Å; P504-R507 WeakPolarHBondContact O-CG 3.49Å; E505-R507 VanDerWaalsContact C-N 3.35Å; R507-A509 PolarHBondContact O-N 2.87Å; R507-Y522 HydrophobicContact CB-CD2 4.15Å; R507-Y522 HydrophobicContact CB-CG 4.18Å; R507-Y522 WeakPolarHBondContact O-CB 3.47Å; R507-G524 WeakPolarHBondContact O-CA 3.31Å; R507-G524 PolarHBondContact O-N 3.44Å; R507-G524 VanDerWaalsContact O-N 3.1Å
508	V	97.5	Very high	90.3	Very high	21 Å²	21	43.5 Å²	43.5	13%	0.127	23%	0.232	C	C	.	.	S	Bend	trans	-91	76.9	169.1	-169.3	0	0	0	0	108.8	F93 M96 E97 V100 G524 F530	F93-V508 HydrophobicContact CD1-CG1 4.11Å; M96-V508 HydrophobicContact CB-CG1 3.71Å; M96-V508 HydrophobicContact CB-CG2 4.16Å; E97-V508 HydrophobicContact CB-CG2 4.26Å; V100-V508 HydrophobicContact CG2-CG2 3.87Å; V508-G524 WeakPolarHBondContact CG2-O 3.36Å; V508-F530 HydrophobicContact CG1-CE2 3.91Å
509	A	96.4	Very high	91.3	Very high	23 Å²	23	42.2 Å²	42.2	19%	0.19	22%	0.224	C	C	.	.			trans	-152.9	148.1	-179.1	0	0	0	0	0	112.4	R507 Y522	R507-A509 PolarHBondContact O-N 2.87Å; A509-Y522 HydrophobicContact CB-CD2 3.96Å; A509-Y522 HydrophobicContact CB-CE2 4.48Å; A509-Y522 WeakPolarHBondContact O-CD2 3.43Å; A509-Y522 PolarHBondContact O-N 2.91Å; A509-Y522 VanDerWaalsContact O-N 3.13Å
510	A	97.5	Very high	92.5	Very high	18 Å²	18	42.3 Å²	42.3	15%	0.149	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	144.6	161.1	0	0	0	0	0	107.6	Y520 L521 I525 I547 E551	A510-Y520 CarbonylContact C-O 3.59Å; A510-Y520 WeakPolarHBondContact CA-O 3.33Å; A510-L521 HydrophobicContact CB-CD1 3.81Å; A510-I525 HydrophobicContact CB-CD1 4.18Å; A510-I547 HydrophobicContact CB-CG2 3.45Å; A510-I547 VanDerWaalsContact CB-CG2 3.45Å; A510-E551 HydrophobicContact CB-CG 3.96Å
511	H	97	Very high	93.5	Very high	63 Å²	63	42.1 Å²	42.1	29%	0.292	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	147.1	169.5	62.6	-63.7	0	0	0	111.4	Y520 Y522 E551	H511-Y520 WeakPolarHBondContact CE1-CB 3.21Å; H511-Y520 AromaticContact CE1-CG 3.81Å; H511-Y520 PolarHBondContact N-O 3.5Å; H511-Y520 PolarHBondContact O-N 2.92Å; H511-Y522 AromaticContact CE1-CE2 3.46Å; H511-Y522 VanDerWaalsContact CE1-CE2 3.46Å; H511-Y522 WeakPolarHBondContact CE1-CE2 3.44Å; H511-Y522 AromaticContact CE1-CZ 3.8Å; H511-Y522 PolarHBondContact CE1-OH 3.41Å; H511-Y522 AromaticContact ND1-CE2 3.78Å; H511-E551 VanDerWaalsContact C-OE2 3.23Å; H511-E551 VanDerWaalsContact CA-CD 3.49Å; H511-E551 WeakPolarHBondContact CA-OE2 3.43Å
512	Y	97.3	Very high	94.4	Very high	20 Å²	20	40.3 Å²	40.3	8%	0.078	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	131	169.2	174.1	-110.4	0	0	0	111.5	K438 M442 N514 N517 I519 E551 H554 A555	K438-Y512 WeakPolarHBondContact CE-OH 3.31Å; K438-Y512 PolarHBondContact NZ-OH 2.89Å; M442-Y512 HydrophobicContact CE-CE2 4.13Å; Y512-N514 HydrophobicContact CE1-CB 4.48Å; Y512-N514 WeakPolarHBondContact CE1-OD1 3.23Å; Y512-N517 PolarHBondContact OH-OD1 2.86Å; Y512-I519 HydrophobicContact CD2-CG1 4Å; Y512-E551 WeakPolarHBondContact CB-O 3.36Å; Y512-E551 PolarHBondContact N-OE2 2.91Å; Y512-H554 HydrophobicContact CD1-CB 3.65Å; Y512-H554 HydrophobicContact CE1-CB 4.41Å; Y512-H554 HydrophobicContact CG-CB 4.18Å; Y512-A555 HydrophobicContact CD2-CB 4.44Å; Y512-A555 HydrophobicContact CE1-CB 3.92Å; Y512-A555 HydrophobicContact CE2-CB 3.75Å; Y512-A555 VanDerWaalsContact CZ-CB 3.47Å
513	R	93.8	Very high	95.2	Very high	80 Å²	80	37.6 Å²	37.6	30%	0.302	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	110.8	173	-78.6	-169.4	62.8	-163	-1.6	111.1	D515 E516 N517 R518 Y520	R513-D515 VanDerWaalsContact C-N 3.26Å; R513-D515 IonicContact CZ-OD1 2.94Å; R513-D515 IonicContact CZ-OD2 3.51Å; R513-D515 IonicContact NE-OD1 3.71Å; R513-D515 PolarHBondContact NE-OD1 3.11Å; R513-D515 VanDerWaalsContact NE-OD1 3.13Å; R513-D515 IonicContact NE-OD2 2.83Å; R513-D515 IonicContact NH2-OD1 2.78Å; R513-D515 PolarHBondContact NH2-OD1 3.35Å; R513-D515 IonicContact NH2-OD2 3.29Å; R513-D515 PolarHBondContact NH2-OD2 3.16Å; R513-D515 PolarHBondContact O-N 3.47Å; R513-E516 HydrophobicContact CB-CB 4.37Å; R513-E516 IonicContact CZ-OE1 2.82Å; R513-E516 IonicContact NE-OE1 2.67Å; R513-E516 IonicContact NH1-OE1 2.63Å; R513-E516 PolarHBondContact NH1-OE1 3.4Å; R513-E516 IonicContact NH2-OE1 3.83Å; R513-E516 PolarHBondContact NH2-OE1 3.07Å; R513-E516 VanDerWaalsContact NH2-OE1 3.11Å; R513-E516 PolarHBondContact O-N 2.91Å; R513-N517 PolarHBondContact O-N 2.77Å; R513-R518 PolarHBondContact N-O 2.67Å; R513-R518 PolarHBondContact O-N 3.4Å; R513-Y520 HydrophobicContact CB-CD2 4.4Å; R513-Y520 HydrophobicContact CB-CE2 4.14Å; R513-Y520 HydrophobicContact CG-CD2 4.07Å; R513-Y520 HydrophobicContact CG-CE2 4.02Å
514	N	90.5	Very high	95.7	Very high	56 Å²	56	34.8 Å²	34.8	30%	0.299	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-35	177.5	-86.1	-48.8	0	0	0	113.8	Y512 E516 L563 N567	Y512-N514 HydrophobicContact CE1-CB 4.48Å; Y512-N514 WeakPolarHBondContact CE1-OD1 3.23Å; N514-E516 VanDerWaalsContact C-N 3.28Å; N514-E516 PolarHBondContact O-N 3.48Å; N514-L563 HydrophobicContact CB-CD1 3.71Å; N514-N567 PolarHBondContact O-OD1 2.63Å; N514-N567 VanDerWaalsContact O-OD1 3.14Å
515	D	86.4	Confident	95.8	Very high	97 Å²	97	33.6 Å²	33.6	52%	0.519	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-12.9	-177.5	62.5	-48.9	0	0	0	113.6	R513 N567	R513-D515 VanDerWaalsContact C-N 3.26Å; R513-D515 IonicContact CZ-OD1 2.94Å; R513-D515 IonicContact CZ-OD2 3.51Å; R513-D515 IonicContact NE-OD1 3.71Å; R513-D515 PolarHBondContact NE-OD1 3.11Å; R513-D515 VanDerWaalsContact NE-OD1 3.13Å; R513-D515 IonicContact NE-OD2 2.83Å; R513-D515 IonicContact NH2-OD1 2.78Å; R513-D515 PolarHBondContact NH2-OD1 3.35Å; R513-D515 IonicContact NH2-OD2 3.29Å; R513-D515 PolarHBondContact NH2-OD2 3.16Å; R513-D515 PolarHBondContact O-N 3.47Å; D515-N567 VanDerWaalsContact C-ND2 3.33Å; D515-N567 PolarHBondContact O-ND2 3.46Å
516	E	91.9	Very high	95.9	Very high	56 Å²	56	33.8 Å²	33.8	26%	0.262	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-7.8	-179.7	-64.4	-166	-153.5	0	0	114.4	R513 N514 R518 Y520 N567	R513-E516 HydrophobicContact CB-CB 4.37Å; R513-E516 IonicContact CZ-OE1 2.82Å; R513-E516 IonicContact NE-OE1 2.67Å; R513-E516 IonicContact NH1-OE1 2.63Å; R513-E516 PolarHBondContact NH1-OE1 3.4Å; R513-E516 IonicContact NH2-OE1 3.83Å; R513-E516 PolarHBondContact NH2-OE1 3.07Å; R513-E516 VanDerWaalsContact NH2-OE1 3.11Å; R513-E516 PolarHBondContact O-N 2.91Å; N514-E516 VanDerWaalsContact C-N 3.28Å; N514-E516 PolarHBondContact O-N 3.48Å; E516-R518 HydrophobicContact CB-CB 3.84Å; E516-R518 PolarHBondContact O-N 3.02Å; E516-R518 IonicContact OE2-CZ 3.59Å; E516-R518 IonicContact OE2-NH1 3.44Å; E516-R518 PolarHBondContact OE2-NH1 2.83Å; E516-Y520 VanDerWaalsContact CD-OH 3.23Å; E516-Y520 PolarHBondContact OE1-OH 2.99Å; E516-Y520 PolarHBondContact OE2-OH 2.97Å; E516-N567 VanDerWaalsContact CA-ND2 3.29Å; E516-N567 WeakPolarHBondContact CA-ND2 3.47Å; E516-N567 PolarHBondContact N-ND2 2.71Å
517	N	95.4	Very high	95.9	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.016	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	44.6	-166.3	-165	33.2	0	0	0	111.5	K438 M442 D443 Y512 R513 N567	K438-N517 PolarHBondContact O-ND2 2.79Å; M442-N517 WeakPolarHBondContact CA-ND2 3.41Å; M442-N517 WeakPolarHBondContact CA-O 3.32Å; M442-N517 VanDerWaalsContact CG-O 3.28Å; M442-N517 WeakPolarHBondContact CG-O 3.28Å; M442-N517 PolarHBondContact N-ND2 3.21Å; D443-N517 PolarHBondContact N-O 3.13Å; D443-N517 VanDerWaalsContact N-O 3.15Å; Y512-N517 PolarHBondContact OH-OD1 2.86Å; R513-N517 PolarHBondContact O-N 2.77Å; N517-N567 VanDerWaalsContact CB-OD1 3.25Å; N517-N567 WeakPolarHBondContact CB-OD1 3.02Å; N517-N567 PolarHBondContact N-ND2 2.6Å; N517-N567 PolarHBondContact N-OD1 2.02Å
518	R	96.9	Very high	95.9	Very high	76 Å²	76	31.8 Å²	31.8	29%	0.287	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	137.9	-170.7	179.3	176.2	-69.2	156.4	-4.6	111.4	D443 R513 E516 Y520	D443-R518 HydrophobicContact CB-CB 4.32Å; D443-R518 HydrophobicContact CB-CG 4.07Å; D443-R518 VanDerWaalsContact O-CA 3.3Å; D443-R518 WeakPolarHBondContact O-CA 3.35Å; D443-R518 IonicContact OD2-CZ 2.79Å; D443-R518 IonicContact OD2-NE 3.53Å; D443-R518 IonicContact OD2-NH2 3.63Å; D443-R518 PolarHBondContact OD2-NH2 2.64Å; R513-R518 PolarHBondContact N-O 2.67Å; R513-R518 PolarHBondContact O-N 3.4Å; E516-R518 HydrophobicContact CB-CB 3.84Å; E516-R518 PolarHBondContact O-N 3.02Å; E516-R518 IonicContact OE2-CZ 3.59Å; E516-R518 IonicContact OE2-NH1 3.44Å; E516-R518 PolarHBondContact OE2-NH1 2.83Å; R518-Y520 HydrophobicContact CB-CE2 4.24Å; R518-Y520 HydrophobicContact CG-CD2 4.26Å; R518-Y520 HydrophobicContact CG-CE2 3.9Å
519	I	97.6	Very high	95.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	139.1	170.1	-61.6	173.4	0	0	0	109.1	F410 M442 D443 V444 F445 Y512 E551 I552	F410-I519 HydrophobicContact CD2-CD1 4.17Å; F410-I519 HydrophobicContact CE2-CD1 3.81Å; M442-I519 HydrophobicContact SD-CD1 3.62Å; M442-I519 HydrophobicContact SD-CG1 3.89Å; D443-I519 PolarHBondContact O-N 3.41Å; V444-I519 CarbonylContact C-O 3.43Å; V444-I519 WeakPolarHBondContact CA-O 3.3Å; V444-I519 HydrophobicContact CG2-CB 4.31Å; V444-I519 HydrophobicContact CG2-CG2 4.45Å; F445-I519 PolarHBondContact N-O 2.9Å; Y512-I519 HydrophobicContact CD2-CG1 4Å; I519-E551 HydrophobicContact CB-CB 4.47Å; I519-E551 HydrophobicContact CD1-CB 3.65Å; I519-E551 HydrophobicContact CG1-CB 3.86Å; I519-E551 HydrophobicContact CG2-CB 3.79Å; I519-E551 HydrophobicContact CG2-CG 4.15Å; I519-I552 HydrophobicContact CD1-CB 4.16Å; I519-I552 HydrophobicContact CD1-CD1 4.44Å; I519-I552 HydrophobicContact CD1-CG1 3.3Å
520	Y	97.6	Very high	96	Very high	29 Å²	29	30.5 Å²	30.5	11%	0.114	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	115.1	172.5	-75.7	-99.5	0	0	0	109.4	F445 A510 H511 R513 E516 R518	F445-Y520 HydrophobicContact CB-CD1 3.57Å; F445-Y520 HydrophobicContact CB-CE1 3.87Å; F445-Y520 HydrophobicContact CB-CG 4.09Å; F445-Y520 AromaticContact CD1-CD1 3.82Å; F445-Y520 HydrophobicContact CD1-CD1 3.82Å; F445-Y520 HydrophobicContact CD2-CD1 4.44Å; F445-Y520 HydrophobicContact CD2-CE1 4.38Å; F445-Y520 AromaticContact CG-CD1 3.68Å; F445-Y520 HydrophobicContact CG-CD1 3.68Å; F445-Y520 HydrophobicContact CG-CE1 4.02Å; A510-Y520 CarbonylContact C-O 3.59Å; A510-Y520 WeakPolarHBondContact CA-O 3.33Å; H511-Y520 WeakPolarHBondContact CE1-CB 3.21Å; H511-Y520 AromaticContact CE1-CG 3.81Å; H511-Y520 PolarHBondContact N-O 3.5Å; H511-Y520 PolarHBondContact O-N 2.92Å; R513-Y520 HydrophobicContact CB-CD2 4.4Å; R513-Y520 HydrophobicContact CB-CE2 4.14Å; R513-Y520 HydrophobicContact CG-CD2 4.07Å; R513-Y520 HydrophobicContact CG-CE2 4.02Å; E516-Y520 VanDerWaalsContact CD-OH 3.23Å; E516-Y520 PolarHBondContact OE1-OH 2.99Å; E516-Y520 PolarHBondContact OE2-OH 2.97Å; R518-Y520 HydrophobicContact CB-CE2 4.24Å; R518-Y520 HydrophobicContact CG-CD2 4.26Å; R518-Y520 HydrophobicContact CG-CE2 3.9Å
521	L	97.9	Very high	96	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	114.7	171.6	-166.8	84.3	0	0	0	108.5	V406 F445 L447 A510 I525 L544 I548	V406-L521 HydrophobicContact CB-CD2 4.29Å; V406-L521 HydrophobicContact CG1-CD2 3.4Å; V406-L521 VanDerWaalsContact CG1-CD2 3.4Å; V406-L521 HydrophobicContact CG2-CD2 3.84Å; F445-L521 PolarHBondContact O-N 2.93Å; L447-L521 VanDerWaalsContact CA-O 3.29Å; L447-L521 WeakPolarHBondContact CA-O 3.45Å; L447-L521 HydrophobicContact CD2-CD2 4.09Å; L447-L521 PolarHBondContact N-O 3.13Å; A510-L521 HydrophobicContact CB-CD1 3.81Å; L521-I525 HydrophobicContact CD1-CD1 3.9Å; L521-I525 HydrophobicContact CD1-CG2 3.76Å; L521-I525 HydrophobicContact CD2-CG2 3.95Å; L521-I525 HydrophobicContact CG-CG2 3.69Å; L521-L544 HydrophobicContact CD1-CD1 3.91Å; L521-L544 HydrophobicContact CD2-CD1 3.87Å; L521-I548 HydrophobicContact CD1-CG1 4.48Å
522	Y	97.9	Very high	95.9	Very high	20 Å²	20	30.5 Å²	30.5	8%	0.078	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	153	-178.4	-65.8	-67.2	0	0	0	112	F445 T503 R507 A509 H511 G524 I525	F445-Y522 HydrophobicContact CE1-CD1 4.02Å; F445-Y522 HydrophobicContact CE1-CE1 4.21Å; T503-Y522 HydrophobicContact CG2-CE1 4.38Å; R507-Y522 HydrophobicContact CB-CD2 4.15Å; R507-Y522 HydrophobicContact CB-CG 4.18Å; R507-Y522 WeakPolarHBondContact O-CB 3.47Å; A509-Y522 HydrophobicContact CB-CD2 3.96Å; A509-Y522 HydrophobicContact CB-CE2 4.48Å; A509-Y522 WeakPolarHBondContact O-CD2 3.43Å; A509-Y522 PolarHBondContact O-N 2.91Å; A509-Y522 VanDerWaalsContact O-N 3.13Å; H511-Y522 AromaticContact CE1-CE2 3.46Å; H511-Y522 VanDerWaalsContact CE1-CE2 3.46Å; H511-Y522 WeakPolarHBondContact CE1-CE2 3.44Å; H511-Y522 AromaticContact CE1-CZ 3.8Å; H511-Y522 PolarHBondContact CE1-OH 3.41Å; H511-Y522 AromaticContact ND1-CE2 3.78Å; Y522-G524 PolarHBondContact O-N 3.49Å; Y522-I525 VanDerWaalsContact O-CG2 3.23Å; Y522-I525 WeakPolarHBondContact O-CG2 3.26Å; Y522-I525 PolarHBondContact O-N 2.85Å; Y522-I525 VanDerWaalsContact O-N 3.14Å
523	S	97.7	Very high	95.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-61.8	-26	-173.6	62.4	0	0	0	0	114.4	Y393 I394 L447 E505 F506 I525 L526	Y393-S523 WeakPolarHBondContact CE1-OG 3.4Å; I394-S523 WeakPolarHBondContact CD1-OG 3.22Å; L447-S523 PolarHBondContact O-N 2.89Å; E505-S523 WeakPolarHBondContact O-CB 3.4Å; E505-S523 PolarHBondContact O-N 2.93Å; E505-S523 PolarHBondContact O-OG 3.43Å; F506-S523 WeakPolarHBondContact CA-OG 3.35Å; S523-I525 PolarHBondContact O-N 3.24Å; S523-I525 VanDerWaalsContact O-N 3.17Å; S523-L526 WeakPolarHBondContact O-CB 3.44Å; S523-L526 PolarHBondContact O-N 3.45Å; S523-L526 VanDerWaalsContact O-N 3.07Å
524	G	97.7	Very high	95.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-64.5	-17.3	177.2	0	0	0	0	0	114.1	F506 R507 V508 Y522 L526 Q527	F506-G524 WeakPolarHBondContact O-CA 3.22Å; R507-G524 WeakPolarHBondContact O-CA 3.31Å; R507-G524 PolarHBondContact O-N 3.44Å; R507-G524 VanDerWaalsContact O-N 3.1Å; V508-G524 WeakPolarHBondContact CG2-O 3.36Å; Y522-G524 PolarHBondContact O-N 3.49Å; G524-L526 VanDerWaalsContact C-N 3.28Å; G524-Q527 PolarHBondContact O-NE2 3.41Å
525	I	97.1	Very high	96	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-77.4	-15.9	175.6	-149	171.8	0	0	0	112.7	A510 L521 Y522 S523 Q527 F530 L544 I547	A510-I525 HydrophobicContact CB-CD1 4.18Å; L521-I525 HydrophobicContact CD1-CD1 3.9Å; L521-I525 HydrophobicContact CD1-CG2 3.76Å; L521-I525 HydrophobicContact CD2-CG2 3.95Å; L521-I525 HydrophobicContact CG-CG2 3.69Å; Y522-I525 VanDerWaalsContact O-CG2 3.23Å; Y522-I525 WeakPolarHBondContact O-CG2 3.26Å; Y522-I525 PolarHBondContact O-N 2.85Å; Y522-I525 VanDerWaalsContact O-N 3.14Å; S523-I525 PolarHBondContact O-N 3.24Å; S523-I525 VanDerWaalsContact O-N 3.17Å; I525-Q527 PolarHBondContact O-N 2.93Å; I525-F530 HydrophobicContact CG1-CB 4.29Å; I525-F530 HydrophobicContact CG1-CD2 3.78Å; I525-F530 HydrophobicContact CG1-CE2 4.3Å; I525-F530 HydrophobicContact CG1-CG 4.08Å; I525-F530 WeakPolarHBondContact O-CB 3.13Å; I525-L544 HydrophobicContact CG2-CD1 4.32Å; I525-I547 HydrophobicContact CD1-CD1 3.83Å; I525-I547 HydrophobicContact CD1-CG2 3.92Å; I525-I547 HydrophobicContact CG1-CD1 4.47Å
526	L	96.9	Very high	96.4	Very high	16 Å²	16	33.7 Å²	33.7	8%	0.084	17%	0.17	C	C	.	.	S	Bend	trans	-83.6	61.2	-171.8	-159.4	79.4	0	0	0	111.7	V398 H402 V406 L447 S523 G524 Y531 L544	V398-L526 HydrophobicContact CG1-CB 4.34Å; V398-L526 HydrophobicContact CG1-CD2 3.72Å; H402-L526 HydrophobicContact CB-CD2 3.59Å; V406-L526 HydrophobicContact CG2-CD1 4.3Å; L447-L526 HydrophobicContact CD1-CD2 3.95Å; L447-L526 HydrophobicContact CD2-CB 4.07Å; L447-L526 HydrophobicContact CD2-CD1 4.27Å; L447-L526 HydrophobicContact CD2-CD2 4.43Å; L447-L526 HydrophobicContact CD2-CG 4.5Å; S523-L526 WeakPolarHBondContact O-CB 3.44Å; S523-L526 PolarHBondContact O-N 3.45Å; S523-L526 VanDerWaalsContact O-N 3.07Å; G524-L526 VanDerWaalsContact C-N 3.28Å; L526-Y531 HydrophobicContact CD1-CD1 3.51Å; L526-Y531 HydrophobicContact CD1-CD2 3.65Å; L526-Y531 HydrophobicContact CD1-CE1 3.87Å; L526-Y531 HydrophobicContact CD1-CE2 4.02Å; L526-Y531 HydrophobicContact CD1-CG 3.36Å; L526-Y531 HydrophobicContact CD2-CD1 4.23Å; L526-Y531 HydrophobicContact CD2-CE1 4.1Å; L526-Y531 HydrophobicContact CG-CD1 3.46Å; L526-Y531 VanDerWaalsContact CG-CD1 3.46Å; L526-Y531 HydrophobicContact CG-CE1 3.82Å; L526-Y531 HydrophobicContact CG-CG 3.83Å; L526-L544 HydrophobicContact CD1-CD2 4.19Å
527	Q	96.5	Very high	96.7	Very high	24 Å²	24	33.3 Å²	33.3	11%	0.112	17%	0.169	C	C	.	.	S	Bend	trans	-149.7	159.2	179.2	57.3	-179.9	-53.2	0	0	110.4	M96 N99 G524 I525 F530 Y531	M96-Q527 HydrophobicContact CB-CG 4.26Å; M96-Q527 HydrophobicContact CG-CG 3.99Å; M96-Q527 PolarHBondContact O-NE2 3.07Å; M96-Q527 VanDerWaalsContact O-NE2 3.09Å; M96-Q527 HydrophobicContact SD-CG 3.81Å; M96-Q527 PolarHBondContact SD-OE1 2.87Å; M96-Q527 VanDerWaalsContact SD-OE1 3.34Å; N99-Q527 PolarHBondContact ND2-OE1 3.5Å; G524-Q527 PolarHBondContact O-NE2 3.41Å; I525-Q527 PolarHBondContact O-N 2.93Å; Q527-F530 WeakPolarHBondContact O-CB 3.27Å; Q527-F530 PolarHBondContact O-N 2.93Å; Q527-Y531 CarbonylContact C-O 3.39Å; Q527-Y531 PolarHBondContact O-N 3.33Å
528	P	97	Very high	96.8	Very high	65 Å²	65	33.1 Å²	33.1	42%	0.422	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	141.8	174.4	-30.2	38.8	0	0	0	112.4	M96 Y531 Y532	M96-P528 WeakPolarHBondContact CE-O 3.48Å; P528-Y531 WeakPolarHBondContact CD-O 3.34Å; P528-Y531 VanDerWaalsContact N-O 3.08Å; P528-Y532 HydrophobicContact CB-CD1 4.13Å; P528-Y532 HydrophobicContact CB-CE1 3.52Å; P528-Y532 HydrophobicContact CB-CE2 4.4Å; P528-Y532 HydrophobicContact CG-CD1 3.82Å; P528-Y532 HydrophobicContact CG-CE1 3.69Å
529	P	96.4	Very high	96.8	Very high	17 Å²	17	29.8 Å²	29.8	11%	0.11	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90	1.5	3.1	37.1	-36.7	0	0	0	113.5	T92 Y532 A543	T92-P529 VanDerWaalsContact CG2-CD 3.49Å; T92-P529 HydrophobicContact CG2-CG 3.33Å; P529-Y532 HydrophobicContact CB-CE2 4.38Å; P529-A543 WeakPolarHBondContact O-CB 3.42Å
530	F	98.1	Very high	96.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-39.9	-179.4	-56.3	-51.4	0	0	0	111.8	T92 F93 M96 V508 I525 Q527 A543 L544 I547 S658	T92-F530 HydrophobicContact CG2-CE1 3.81Å; T92-F530 HydrophobicContact CG2-CE2 4.33Å; T92-F530 HydrophobicContact CG2-CZ 3.65Å; F93-F530 HydrophobicContact CD1-CE2 4.38Å; F93-F530 AromaticContact CD1-CZ 3.93Å; F93-F530 HydrophobicContact CD1-CZ 3.93Å; F93-F530 HydrophobicContact CD2-CE1 4.15Å; F93-F530 AromaticContact CD2-CZ 3.7Å; F93-F530 HydrophobicContact CD2-CZ 3.7Å; F93-F530 HydrophobicContact CE1-CE1 4.43Å; F93-F530 HydrophobicContact CE1-CE2 4.47Å; F93-F530 AromaticContact CE1-CZ 3.94Å; F93-F530 HydrophobicContact CE1-CZ 3.94Å; F93-F530 AromaticContact CE2-CE1 3.75Å; F93-F530 HydrophobicContact CE2-CE1 3.75Å; F93-F530 AromaticContact CE2-CZ 3.71Å; F93-F530 HydrophobicContact CE2-CZ 3.71Å; F93-F530 AromaticContact CG-CZ 3.81Å; F93-F530 HydrophobicContact CG-CZ 3.81Å; F93-F530 AromaticContact CZ-CE1 3.91Å; F93-F530 HydrophobicContact CZ-CE1 3.91Å; F93-F530 AromaticContact CZ-CZ 3.83Å; F93-F530 HydrophobicContact CZ-CZ 3.83Å; M96-F530 HydrophobicContact CB-CE2 3.9Å; M96-F530 HydrophobicContact CG-CD2 3.85Å; M96-F530 HydrophobicContact CG-CE2 3.4Å; M96-F530 VanDerWaalsContact CG-CE2 3.4Å; M96-F530 HydrophobicContact CG-CZ 4.29Å; V508-F530 HydrophobicContact CG1-CE2 3.91Å; I525-F530 HydrophobicContact CG1-CB 4.29Å; I525-F530 HydrophobicContact CG1-CD2 3.78Å; I525-F530 HydrophobicContact CG1-CE2 4.3Å; I525-F530 HydrophobicContact CG1-CG 4.08Å; I525-F530 WeakPolarHBondContact O-CB 3.13Å; Q527-F530 WeakPolarHBondContact O-CB 3.27Å; Q527-F530 PolarHBondContact O-N 2.93Å; F530-A543 WeakPolarHBondContact O-CB 3.35Å; F530-L544 WeakPolarHBondContact O-CB 3.2Å; F530-L544 PolarHBondContact O-N 3.31Å; F530-L544 VanDerWaalsContact O-N 3.07Å; F530-I547 HydrophobicContact CB-CD1 4.46Å; F530-I547 HydrophobicContact CD1-CD1 3.56Å; F530-I547 HydrophobicContact CE1-CD1 4.01Å; F530-I547 HydrophobicContact CG-CD1 4.16Å; F530-S658 WeakPolarHBondContact CE1-O 3.43Å
531	Y	98	Very high	96.9	Very high	9 Å²	9	30 Å²	30	4%	0.035	16%	0.158	C	C	.	.			trans	-143.3	133	-177.2	178.4	-97	0	0	0	111.9	H402 E405 L526 Q527 P528 E533 L544	H402-Y531 AromaticContact CD2-CE1 3.9Å; H402-Y531 PolarHBondContact CD2-OH 3.16Å; E405-Y531 PolarHBondContact OE2-OH 3.08Å; E405-Y531 VanDerWaalsContact OE2-OH 3.05Å; L526-Y531 HydrophobicContact CD1-CD1 3.51Å; L526-Y531 HydrophobicContact CD1-CD2 3.65Å; L526-Y531 HydrophobicContact CD1-CE1 3.87Å; L526-Y531 HydrophobicContact CD1-CE2 4.02Å; L526-Y531 HydrophobicContact CD1-CG 3.36Å; L526-Y531 HydrophobicContact CD2-CD1 4.23Å; L526-Y531 HydrophobicContact CD2-CE1 4.1Å; L526-Y531 HydrophobicContact CG-CD1 3.46Å; L526-Y531 VanDerWaalsContact CG-CD1 3.46Å; L526-Y531 HydrophobicContact CG-CE1 3.82Å; L526-Y531 HydrophobicContact CG-CG 3.83Å; Q527-Y531 CarbonylContact C-O 3.39Å; Q527-Y531 PolarHBondContact O-N 3.33Å; P528-Y531 WeakPolarHBondContact CD-O 3.34Å; P528-Y531 VanDerWaalsContact N-O 3.08Å; Y531-E533 HydrophobicContact CE1-CB 4.02Å; Y531-L544 HydrophobicContact CD2-CD2 3.86Å
532	Y	95.8	Very high	96.9	Very high	71 Å²	71	30 Å²	30	28%	0.278	16%	0.158	S	C	.	.			trans	-120.8	123	170	-64	-92.5	0	0	0	107.7	P528 P529 N534 G535 K540	P528-Y532 HydrophobicContact CB-CD1 4.13Å; P528-Y532 HydrophobicContact CB-CE1 3.52Å; P528-Y532 HydrophobicContact CB-CE2 4.4Å; P528-Y532 HydrophobicContact CG-CD1 3.82Å; P528-Y532 HydrophobicContact CG-CE1 3.69Å; P529-Y532 HydrophobicContact CB-CE2 4.38Å; Y532-N534 VanDerWaalsContact C-N 3.34Å; Y532-N534 PolarHBondContact O-N 2.94Å; Y532-G535 PolarHBondContact O-N 2.04Å; Y532-K540 WeakPolarHBondContact O-CE 3.46Å
533	E	93.9	Very high	97	Very high	111 Å²	111	29 Å²	29	52%	0.519	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-47.1	-174	-171	172.5	-170.4	0	0	112.1	H402 Y531 G535 K540	H402-E533 IonicContact CE1-OE1 3.45Å; H402-E533 IonicContact NE2-OE1 3.28Å; H402-E533 PolarHBondContact NE2-OE1 3.37Å; Y531-E533 HydrophobicContact CE1-CB 4.02Å; E533-G535 VanDerWaalsContact C-N 3.32Å; E533-G535 PolarHBondContact O-N 2.78Å; E533-K540 WeakPolarHBondContact O-CE 3.02Å; E533-K540 PolarHBondContact O-NZ 3.3Å
534	N	94.3	Very high	97	Very high	154 Å²	154	29 Å²	29	82%	0.824	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	14.7	175.5	-64.4	-37.5	0	0	0	113.6	Y532	Y532-N534 VanDerWaalsContact C-N 3.34Å; Y532-N534 PolarHBondContact O-N 2.94Å
535	G	94.6	Very high	97.1	Very high	9 Å²	9	29 Å²	29	9%	0.093	15%	0.154	C	C	.	.			trans	-65.5	147.7	-178.3	0	0	0	0	0	113.1	Y532 E533 K540	Y532-G535 PolarHBondContact O-N 2.04Å; E533-G535 VanDerWaalsContact C-N 3.32Å; E533-G535 PolarHBondContact O-N 2.78Å; G535-K540 WeakPolarHBondContact O-CD 3.39Å; G535-K540 WeakPolarHBondContact O-CE 3.36Å
536	S	96	Very high	97.1	Very high	47 Å²	47	29.2 Å²	29.2	33%	0.329	16%	0.155	S	C	.	.			trans	-60.8	162.6	171.9	73.3	0	0	0	0	112.5	A538 S539 K540 L650	S536-A538 PolarHBondContact O-N 3.13Å; S536-A538 PolarHBondContact OG-N 3.33Å; S536-S539 PolarHBondContact N-OG 2.73Å; S536-S539 PolarHBondContact O-N 2.99Å; S536-S539 PolarHBondContact O-OG 3.17Å; S536-S539 PolarHBondContact OG-N 3.34Å; S536-S539 VanDerWaalsContact OG-N 3.16Å; S536-S539 PolarHBondContact OG-OG 2.89Å; S536-K540 WeakPolarHBondContact O-CB 3.23Å; S536-K540 WeakPolarHBondContact O-CG 3.44Å; S536-K540 PolarHBondContact O-N 3.48Å; S536-L650 WeakPolarHBondContact OG-CD2 3.3Å
537	L	96.6	Very high	97.2	Very high	47 Å²	47	28.8 Å²	28.8	25%	0.246	15%	0.153	C	C	.	.	H	α-helix	trans	-57.2	-34.6	171	-70.3	173.7	0	0	0	112.1	Y541 Y626 L629 L630 F633	L537-Y541 HydrophobicContact CD2-CD2 4.28Å; L537-Y541 HydrophobicContact CD2-CE2 3.95Å; L537-Y541 WeakPolarHBondContact O-CB 3.39Å; L537-Y541 WeakPolarHBondContact O-CD2 3.48Å; L537-Y541 PolarHBondContact O-N 3.42Å; L537-Y626 HydrophobicContact CB-CD2 3.96Å; L537-Y626 HydrophobicContact CB-CE2 4.38Å; L537-L629 HydrophobicContact CD1-CB 4.23Å; L537-L630 HydrophobicContact CD1-CD1 4.37Å; L537-F633 HydrophobicContact CD1-CD2 3.62Å; L537-F633 HydrophobicContact CD1-CE2 3.94Å; L537-F633 HydrophobicContact CD2-CE2 4.36Å
538	A	97.8	Very high	97.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.3	-50.1	178.1	0	0	0	0	0	111.3	S536 G542 Y626 S647 L650 F651	S536-A538 PolarHBondContact O-N 3.13Å; S536-A538 PolarHBondContact OG-N 3.33Å; A538-G542 WeakPolarHBondContact O-CA 3.47Å; A538-G542 PolarHBondContact O-N 3.4Å; A538-Y626 HydrophobicContact CB-CD2 4.42Å; A538-Y626 HydrophobicContact CB-CE2 3.8Å; A538-S647 WeakPolarHBondContact CB-O 3.37Å; A538-L650 HydrophobicContact CB-CB 4.19Å; A538-L650 HydrophobicContact CB-CD2 4.24Å; A538-L650 HydrophobicContact CB-CG 4.21Å; A538-F651 HydrophobicContact CB-CB 4.1Å; A538-F651 WeakPolarHBondContact O-CA 3.44Å
539	S	97.8	Very high	97.4	Very high	6 Å²	6	24.6 Å²	24.6	4%	0.042	13%	0.127	C	C	.	.	H	α-helix	trans	-69.8	-41.8	-179.6	56.3	0	0	0	0	112.6	S536 Y541 G542 A543 S654	S536-S539 PolarHBondContact N-OG 2.73Å; S536-S539 PolarHBondContact O-N 2.99Å; S536-S539 PolarHBondContact O-OG 3.17Å; S536-S539 PolarHBondContact OG-N 3.34Å; S536-S539 VanDerWaalsContact OG-N 3.16Å; S536-S539 PolarHBondContact OG-OG 2.89Å; S539-Y541 PolarHBondContact O-N 3.17Å; S539-G542 PolarHBondContact O-N 2.93Å; S539-A543 PolarHBondContact O-N 2.88Å; S539-A543 VanDerWaalsContact O-N 3.08Å; S539-S654 WeakPolarHBondContact CA-OG 3.36Å; S539-S654 VanDerWaalsContact CB-OG 3.32Å; S539-S654 WeakPolarHBondContact CB-OG 3.49Å
540	K	98.3	Very high	97.5	Very high	23 Å²	23	24 Å²	24	10%	0.1	12%	0.123	C	C	.	.	H	α-helix	trans	-61.2	-45.1	177.8	-71.8	-178.2	172.8	-175	0	112.7	E405 M409 Y532 E533 G535 S536 L544 G545	E405-K540 VanDerWaalsContact OE1-CD 3.23Å; E405-K540 WeakPolarHBondContact OE1-CD 3.45Å; E405-K540 VanDerWaalsContact OE1-CE 3.27Å; E405-K540 WeakPolarHBondContact OE1-CE 3.47Å; E405-K540 IonicContact OE1-NZ 3.78Å; E405-K540 PolarHBondContact OE1-NZ 3.28Å; E405-K540 IonicContact OE2-NZ 3.58Å; M409-K540 HydrophobicContact CE-CB 4.33Å; M409-K540 WeakPolarHBondContact CE-O 3.19Å; Y532-K540 WeakPolarHBondContact O-CE 3.46Å; E533-K540 WeakPolarHBondContact O-CE 3.02Å; E533-K540 PolarHBondContact O-NZ 3.3Å; G535-K540 WeakPolarHBondContact O-CD 3.39Å; G535-K540 WeakPolarHBondContact O-CE 3.36Å; S536-K540 WeakPolarHBondContact O-CB 3.23Å; S536-K540 WeakPolarHBondContact O-CG 3.44Å; S536-K540 PolarHBondContact O-N 3.48Å; K540-L544 PolarHBondContact O-N 3.2Å; K540-G545 PolarHBondContact O-N 2.96Å
541	Y	98.7	Very high	97.5	Very high	11 Å²	11	25 Å²	25	4%	0.043	13%	0.127	C	C	.	.	H	α-helix	trans	-83.4	-24.5	178.9	-78.7	-93.6	0	0	0	113.3	M409 I413 L537 S539 A543 G545 W546 S622 T625 L629 F651	M409-Y541 HydrophobicContact CE-CE2 4.47Å; M409-Y541 HydrophobicContact CG-CE2 4.35Å; I413-Y541 HydrophobicContact CD1-CD1 4.46Å; I413-Y541 HydrophobicContact CD1-CE1 4.21Å; I413-Y541 HydrophobicContact CG1-CD1 4.37Å; I413-Y541 HydrophobicContact CG1-CE1 3.95Å; L537-Y541 HydrophobicContact CD2-CD2 4.28Å; L537-Y541 HydrophobicContact CD2-CE2 3.95Å; L537-Y541 WeakPolarHBondContact O-CB 3.39Å; L537-Y541 WeakPolarHBondContact O-CD2 3.48Å; L537-Y541 PolarHBondContact O-N 3.42Å; S539-Y541 PolarHBondContact O-N 3.17Å; Y541-A543 VanDerWaalsContact C-N 3.34Å; Y541-G545 CarbonylContact O-C 3.56Å; Y541-W546 PolarHBondContact O-N 3.21Å; Y541-S622 PolarHBondContact O-OG 2.98Å; Y541-T625 HydrophobicContact CD1-CG2 4.07Å; Y541-T625 HydrophobicContact CE1-CG2 3.43Å; Y541-T625 VanDerWaalsContact CE1-CG2 3.43Å; Y541-L629 HydrophobicContact CE1-CD1 4.2Å; Y541-L629 HydrophobicContact CE2-CD1 3.67Å; Y541-L629 WeakPolarHBondContact OH-CD1 3.46Å; Y541-F651 VanDerWaalsContact C-CE2 3.44Å; Y541-F651 WeakPolarHBondContact O-CE2 3.26Å
542	G	98.7	Very high	97.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.1	-41.6	172.4	0	0	0	0	0	111.7	A538 S539 W546 F651 F655	A538-G542 WeakPolarHBondContact O-CA 3.47Å; A538-G542 PolarHBondContact O-N 3.4Å; S539-G542 PolarHBondContact O-N 2.93Å; G542-W546 WeakPolarHBondContact O-CB 3.48Å; G542-F651 VanDerWaalsContact CA-O 3.31Å; G542-F651 WeakPolarHBondContact CA-O 3.47Å; G542-F655 WeakPolarHBondContact O-CA 3.37Å; G542-F655 VanDerWaalsContact O-CB 3.23Å; G542-F655 WeakPolarHBondContact O-CB 3.11Å; G542-F655 PolarHBondContact O-N 3.42Å
543	A	98.6	Very high	97.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-88.2	179.7	0	0	0	0	0	112.5	P529 F530 S539 Y541 G545 W546 I547	P529-A543 WeakPolarHBondContact O-CB 3.42Å; F530-A543 WeakPolarHBondContact O-CB 3.35Å; S539-A543 PolarHBondContact O-N 2.88Å; S539-A543 VanDerWaalsContact O-N 3.08Å; Y541-A543 VanDerWaalsContact C-N 3.34Å; A543-G545 VanDerWaalsContact C-N 3.29Å; A543-G545 PolarHBondContact O-N 3.19Å; A543-W546 WeakPolarHBondContact O-CA 3.47Å; A543-W546 WeakPolarHBondContact O-CB 3.08Å; A543-W546 PolarHBondContact O-N 3.08Å; A543-I547 PolarHBondContact O-N 3.3Å; A543-I547 VanDerWaalsContact O-N 3.11Å
544	L	98.7	Very high	97.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-56	-38.5	-176.3	177.6	61.1	0	0	0	113.8	V406 M409 L521 I525 L526 F530 Y531 K540 W546 I547 I548	V406-L544 HydrophobicContact CG2-CD2 4.25Å; M409-L544 HydrophobicContact CE-CB 4.08Å; M409-L544 HydrophobicContact CE-CD2 4.18Å; M409-L544 HydrophobicContact CE-CG 4Å; M409-L544 HydrophobicContact SD-CD2 3.96Å; M409-L544 HydrophobicContact SD-CG 4.39Å; L521-L544 HydrophobicContact CD1-CD1 3.91Å; L521-L544 HydrophobicContact CD2-CD1 3.87Å; I525-L544 HydrophobicContact CG2-CD1 4.32Å; L526-L544 HydrophobicContact CD1-CD2 4.19Å; F530-L544 WeakPolarHBondContact O-CB 3.2Å; F530-L544 PolarHBondContact O-N 3.31Å; F530-L544 VanDerWaalsContact O-N 3.07Å; Y531-L544 HydrophobicContact CD2-CD2 3.86Å; K540-L544 PolarHBondContact O-N 3.2Å; L544-W546 VanDerWaalsContact C-N 3.32Å; L544-W546 PolarHBondContact O-N 3.15Å; L544-I547 PolarHBondContact O-N 2.97Å; L544-I548 HydrophobicContact CD1-CD1 4.12Å; L544-I548 HydrophobicContact CD1-CG1 4.2Å; L544-I548 HydrophobicContact CG-CD1 3.94Å; L544-I548 HydrophobicContact CG-CG1 4.46Å; L544-I548 WeakPolarHBondContact O-CG1 3.31Å; L544-I548 PolarHBondContact O-N 2.8Å
545	G	98.7	Very high	97.9	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.1	-34.8	176.6	0	0	0	0	0	113	I413 K540 Y541 A543 S549 S622	I413-G545 VanDerWaalsContact CD1-O 3.25Å; I413-G545 WeakPolarHBondContact CD1-O 3.39Å; K540-G545 PolarHBondContact O-N 2.96Å; Y541-G545 CarbonylContact O-C 3.56Å; A543-G545 VanDerWaalsContact C-N 3.29Å; A543-G545 PolarHBondContact O-N 3.19Å; G545-S549 WeakPolarHBondContact O-CB 3.33Å; G545-S549 PolarHBondContact O-N 3.39Å; G545-S622 PolarHBondContact O-OG 3.36Å
546	W	98.7	Very high	97.9	Very high	4 Å²	4	10.1 Å²	10.1	2%	0.015	5%	0.054	C	C	.	.	H	α-helix	trans	-64.5	-45.4	171.7	168	73.5	0	0	0	111.2	Y541 G542 A543 L544 I548 S549 H550 D615 L619 S622 F655 L659	Y541-W546 PolarHBondContact O-N 3.21Å; G542-W546 WeakPolarHBondContact O-CB 3.48Å; A543-W546 WeakPolarHBondContact O-CA 3.47Å; A543-W546 WeakPolarHBondContact O-CB 3.08Å; A543-W546 PolarHBondContact O-N 3.08Å; L544-W546 VanDerWaalsContact C-N 3.32Å; L544-W546 PolarHBondContact O-N 3.15Å; W546-I548 PolarHBondContact O-N 2.89Å; W546-S549 CarbonylContact O-C 3.52Å; W546-S549 WeakPolarHBondContact O-CB 3.37Å; W546-S549 PolarHBondContact O-N 2.75Å; W546-S549 VanDerWaalsContact O-N 3.13Å; W546-H550 WeakPolarHBondContact O-CB 3.45Å; W546-H550 PolarHBondContact O-N 3.46Å; W546-D615 VanDerWaalsContact CZ2-OD1 3.32Å; W546-D615 WeakPolarHBondContact CZ2-OD1 3.46Å; W546-D615 PolarHBondContact NE1-O 3.05Å; W546-L619 HydrophobicContact CB-CD1 4.28Å; W546-L619 VanDerWaalsContact CD1-CA 3.49Å; W546-L619 HydrophobicContact CG-CD1 4.15Å; W546-S622 PolarHBondContact N-OG 3.29Å; W546-F655 HydrophobicContact CB-CD2 4.3Å; W546-F655 AromaticContact CD1-CD2 3.99Å; W546-F655 AromaticContact CD1-CE2 3.9Å; W546-F655 AromaticContact CD2-CD2 3.67Å; W546-F655 HydrophobicContact CD2-CD2 3.67Å; W546-F655 AromaticContact CD2-CE2 3.62Å; W546-F655 HydrophobicContact CD2-CE2 3.62Å; W546-F655 AromaticContact CE2-CE2 3.45Å; W546-F655 VanDerWaalsContact CE2-CE2 3.45Å; W546-F655 HydrophobicContact CE3-CD2 4.11Å; W546-F655 HydrophobicContact CE3-CE2 4.17Å; W546-F655 AromaticContact CG-CD2 3.69Å; W546-F655 HydrophobicContact CG-CD2 3.69Å; W546-F655 AromaticContact CG-CE2 3.93Å; W546-F655 HydrophobicContact CG-CE2 3.93Å; W546-F655 HydrophobicContact CH2-CE2 4.48Å; W546-F655 AromaticContact CZ2-CE2 3.9Å; W546-F655 HydrophobicContact CZ2-CE2 3.9Å; W546-F655 AromaticContact NE1-CE2 3.57Å; W546-L659 HydrophobicContact CH2-CD1 3.53Å; W546-L659 HydrophobicContact CH2-CD2 3.77Å; W546-L659 HydrophobicContact CH2-CG 3.89Å; W546-L659 HydrophobicContact CZ2-CD1 3.91Å; W546-L659 HydrophobicContact CZ3-CD1 3.91Å; W546-L659 HydrophobicContact CZ3-CD2 3.94Å; W546-L659 HydrophobicContact CZ3-CG 3.89Å
547	I	98.7	Very high	97.8	Very high	7 Å²	7	8 Å²	8	4%	0.036	4%	0.04	C	C	.	.	H	α-helix	trans	-58.1	-50.2	177.6	-62.3	174.3	0	0	0	110.6	F93 A510 I525 F530 A543 L544 S549 H550 E551	F93-I547 HydrophobicContact CZ-CD1 4.27Å; A510-I547 HydrophobicContact CB-CG2 3.45Å; A510-I547 VanDerWaalsContact CB-CG2 3.45Å; I525-I547 HydrophobicContact CD1-CD1 3.83Å; I525-I547 HydrophobicContact CD1-CG2 3.92Å; I525-I547 HydrophobicContact CG1-CD1 4.47Å; F530-I547 HydrophobicContact CB-CD1 4.46Å; F530-I547 HydrophobicContact CD1-CD1 3.56Å; F530-I547 HydrophobicContact CE1-CD1 4.01Å; F530-I547 HydrophobicContact CG-CD1 4.16Å; A543-I547 PolarHBondContact O-N 3.3Å; A543-I547 VanDerWaalsContact O-N 3.11Å; L544-I547 PolarHBondContact O-N 2.97Å; I547-S549 VanDerWaalsContact C-N 3.28Å; I547-S549 PolarHBondContact O-N 2.85Å; I547-H550 WeakPolarHBondContact O-CB 3.32Å; I547-H550 PolarHBondContact O-N 3.27Å; I547-E551 WeakPolarHBondContact O-CG 3.31Å; I547-E551 PolarHBondContact O-N 3.49Å; I547-E551 VanDerWaalsContact O-N 3.14Å
548	I	98.8	Very high	97.7	Very high	1 Å²	1	6 Å²	6	1%	0.005	3%	0.029	C	C	.	.	H	α-helix	trans	-59.4	-42.8	177.2	-66.5	167.6	0	0	0	110.7	V406 M409 F410 I413 L521 L544 W546 E551 I552	V406-I548 HydrophobicContact CG1-CD1 4.42Å; M409-I548 HydrophobicContact CB-CD1 4.02Å; F410-I548 HydrophobicContact CB-CG2 4.01Å; F410-I548 HydrophobicContact CD2-CG2 3.97Å; I413-I548 HydrophobicContact CD1-CB 3.9Å; I413-I548 HydrophobicContact CD1-CG2 3.77Å; L521-I548 HydrophobicContact CD1-CG1 4.48Å; L544-I548 HydrophobicContact CD1-CD1 4.12Å; L544-I548 HydrophobicContact CD1-CG1 4.2Å; L544-I548 HydrophobicContact CG-CD1 3.94Å; L544-I548 HydrophobicContact CG-CG1 4.46Å; L544-I548 WeakPolarHBondContact O-CG1 3.31Å; L544-I548 PolarHBondContact O-N 2.8Å; W546-I548 PolarHBondContact O-N 2.89Å; I548-E551 PolarHBondContact O-N 2.96Å; I548-I552 HydrophobicContact CG2-CD1 4.03Å; I548-I552 WeakPolarHBondContact O-CG1 3.21Å; I548-I552 PolarHBondContact O-N 2.98Å
549	S	98.8	Very high	97.5	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-66.2	-41.8	-179.3	-168.5	0	0	0	0	112.7	G545 W546 I547 E551 I552 M553 G618 A621	G545-S549 WeakPolarHBondContact O-CB 3.33Å; G545-S549 PolarHBondContact O-N 3.39Å; W546-S549 CarbonylContact O-C 3.52Å; W546-S549 WeakPolarHBondContact O-CB 3.37Å; W546-S549 PolarHBondContact O-N 2.75Å; W546-S549 VanDerWaalsContact O-N 3.13Å; I547-S549 VanDerWaalsContact C-N 3.28Å; I547-S549 PolarHBondContact O-N 2.85Å; S549-E551 VanDerWaalsContact C-N 3.33Å; S549-E551 PolarHBondContact O-N 3.43Å; S549-I552 PolarHBondContact O-N 3.35Å; S549-M553 WeakPolarHBondContact O-CG 3.4Å; S549-M553 PolarHBondContact O-N 2.96Å; S549-G618 WeakPolarHBondContact CB-O 3.16Å; S549-G618 WeakPolarHBondContact OG-CA 3.4Å; S549-G618 PolarHBondContact OG-O 3.15Å; S549-A621 WeakPolarHBondContact OG-CB 3.26Å
550	H	98.6	Very high	97.3	Very high	5 Å²	5	10.8 Å²	10.8	2%	0.023	5%	0.051	C	C	.	.	H	α-helix	trans	-54.3	-49.7	172.9	170.1	106.2	0	0	0	110.3	W546 I547 I552 M553 H554 E611 A614 D615 R683	W546-H550 WeakPolarHBondContact O-CB 3.45Å; W546-H550 PolarHBondContact O-N 3.46Å; I547-H550 WeakPolarHBondContact O-CB 3.32Å; I547-H550 PolarHBondContact O-N 3.27Å; H550-I552 VanDerWaalsContact C-N 3.35Å; H550-I552 PolarHBondContact O-N 3.37Å; H550-M553 WeakPolarHBondContact O-CB 3.47Å; H550-M553 PolarHBondContact O-N 3.42Å; H550-H554 AromaticContact CD2-NE2 3.85Å; H550-H554 AromaticContact NE2-NE2 3.29Å; H550-H554 PolarHBondContact NE2-NE2 3.18Å; H550-H554 PolarHBondContact O-N 3.42Å; H550-E611 IonicContact CE1-OE2 2.58Å; H550-E611 PolarHBondContact CE1-OE2 3.38Å; H550-E611 IonicContact NE2-OE2 3.2Å; H550-E611 PolarHBondContact NE2-OE2 3.05Å; H550-A614 WeakPolarHBondContact ND1-CB 3.4Å; H550-D615 IonicContact CE1-OD1 2.78Å; H550-D615 PolarHBondContact CE1-OD1 3.36Å; H550-D615 PolarHBondContact ND1-N 3.19Å; H550-D615 IonicContact ND1-OD1 2.67Å; H550-D615 PolarHBondContact ND1-OD1 3.33Å; H550-R683 PolarHBondContact CE1-NH2 3.37Å
551	E	98.4	Very high	97	Very high	19 Å²	19	9.9 Å²	9.9	9%	0.089	5%	0.047	C	C	.	.	H	α-helix	trans	-65.3	-34.2	178.7	-62.4	-54.2	156.9	0	0	113.2	A510 H511 Y512 I519 I547 I548 S549 M553 H554	A510-E551 HydrophobicContact CB-CG 3.96Å; H511-E551 VanDerWaalsContact C-OE2 3.23Å; H511-E551 VanDerWaalsContact CA-CD 3.49Å; H511-E551 WeakPolarHBondContact CA-OE2 3.43Å; Y512-E551 WeakPolarHBondContact CB-O 3.36Å; Y512-E551 PolarHBondContact N-OE2 2.91Å; I519-E551 HydrophobicContact CB-CB 4.47Å; I519-E551 HydrophobicContact CD1-CB 3.65Å; I519-E551 HydrophobicContact CG1-CB 3.86Å; I519-E551 HydrophobicContact CG2-CB 3.79Å; I519-E551 HydrophobicContact CG2-CG 4.15Å; I547-E551 WeakPolarHBondContact O-CG 3.31Å; I547-E551 PolarHBondContact O-N 3.49Å; I547-E551 VanDerWaalsContact O-N 3.14Å; I548-E551 PolarHBondContact O-N 2.96Å; S549-E551 VanDerWaalsContact C-N 3.33Å; S549-E551 PolarHBondContact O-N 3.43Å; E551-M553 VanDerWaalsContact C-N 3.29Å; E551-M553 PolarHBondContact O-N 3.14Å; E551-H554 PolarHBondContact O-N 3.31Å; E551-H554 IonicContact OE2-CD2 3.55Å
552	I	98.5	Very high	96.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-65.4	-36.5	173.4	-61.9	164.4	0	0	0	110.5	F410 I413 K414 I417 V439 M442 I519 I548 S549 H550 H554 A555	F410-I552 HydrophobicContact CD2-CD1 3.83Å; F410-I552 HydrophobicContact CD2-CG1 4.13Å; F410-I552 HydrophobicContact CE2-CD1 4.03Å; F410-I552 HydrophobicContact CE2-CG1 3.96Å; I413-I552 HydrophobicContact CB-CD1 3.98Å; I413-I552 HydrophobicContact CG2-CD1 3.55Å; K414-I552 HydrophobicContact CG-CD1 4.1Å; I417-I552 HydrophobicContact CD1-CB 3.85Å; I417-I552 HydrophobicContact CD1-CD1 4.04Å; I417-I552 HydrophobicContact CD1-CG2 3.38Å; V439-I552 HydrophobicContact CG1-CG2 4.14Å; V439-I552 HydrophobicContact CG2-CG2 4.49Å; M442-I552 HydrophobicContact CE-CB 4.42Å; M442-I552 HydrophobicContact CE-CG2 3.83Å; M442-I552 HydrophobicContact SD-CB 4.2Å; M442-I552 HydrophobicContact SD-CG1 3.85Å; M442-I552 HydrophobicContact SD-CG2 4.01Å; I519-I552 HydrophobicContact CD1-CB 4.16Å; I519-I552 HydrophobicContact CD1-CD1 4.44Å; I519-I552 HydrophobicContact CD1-CG1 3.3Å; I548-I552 HydrophobicContact CG2-CD1 4.03Å; I548-I552 WeakPolarHBondContact O-CG1 3.21Å; I548-I552 PolarHBondContact O-N 2.98Å; S549-I552 PolarHBondContact O-N 3.35Å; H550-I552 VanDerWaalsContact C-N 3.35Å; H550-I552 PolarHBondContact O-N 3.37Å; I552-H554 VanDerWaalsContact C-N 3.31Å; I552-H554 PolarHBondContact O-N 2.97Å; I552-A555 WeakPolarHBondContact O-CB 3.41Å; I552-A555 PolarHBondContact O-N 3.31Å
553	M	97.6	Very high	96.5	Very high	11 Å²	11	13 Å²	13	5%	0.054	7%	0.065	C	C	.	.	H	α-helix	trans	-62.8	-35.5	-179	-71.5	-57.4	106.3	0	0	112.5	I417 S549 H550 E551 A555 I556 G557 A614 N617 A621	I417-M553 HydrophobicContact CB-CE 4.29Å; I417-M553 HydrophobicContact CD1-CE 3.13Å; I417-M553 HydrophobicContact CG1-CE 3.43Å; I417-M553 VanDerWaalsContact CG1-CE 3.43Å; I417-M553 HydrophobicContact CG2-CE 3.88Å; S549-M553 WeakPolarHBondContact O-CG 3.4Å; S549-M553 PolarHBondContact O-N 2.96Å; H550-M553 WeakPolarHBondContact O-CB 3.47Å; H550-M553 PolarHBondContact O-N 3.42Å; E551-M553 VanDerWaalsContact C-N 3.29Å; E551-M553 PolarHBondContact O-N 3.14Å; M553-A555 PolarHBondContact O-N 3.31Å; M553-A555 VanDerWaalsContact O-N 3.16Å; M553-I556 HydrophobicContact CE-CD1 4.19Å; M553-I556 CarbonylContact O-C 3.58Å; M553-I556 WeakPolarHBondContact O-CG1 3.4Å; M553-I556 PolarHBondContact O-N 3.01Å; M553-I556 HydrophobicContact SD-CD1 4.29Å; M553-G557 PolarHBondContact O-N 3.39Å; M553-A614 HydrophobicContact CB-CB 4.12Å; M553-N617 HydrophobicContact CG-CB 3.93Å; M553-N617 HydrophobicContact SD-CB 3.59Å; M553-N617 VanDerWaalsContact SD-CB 3.59Å; M553-A621 HydrophobicContact CE-CB 4.36Å
554	H	96.9	Very high	96.1	Very high	31 Å²	31	15 Å²	15	14%	0.144	8%	0.075	C	C	.	.	H	α-helix	trans	-55.7	-33.6	175.5	-76.7	-52.9	0	0	0	113.1	Y512 H550 E551 I552 I556 G557 G560 E611	Y512-H554 HydrophobicContact CD1-CB 3.65Å; Y512-H554 HydrophobicContact CE1-CB 4.41Å; Y512-H554 HydrophobicContact CG-CB 4.18Å; H550-H554 AromaticContact CD2-NE2 3.85Å; H550-H554 AromaticContact NE2-NE2 3.29Å; H550-H554 PolarHBondContact NE2-NE2 3.18Å; H550-H554 PolarHBondContact O-N 3.42Å; E551-H554 PolarHBondContact O-N 3.31Å; E551-H554 IonicContact OE2-CD2 3.55Å; I552-H554 VanDerWaalsContact C-N 3.31Å; I552-H554 PolarHBondContact O-N 2.97Å; H554-I556 PolarHBondContact O-N 3.32Å; H554-G557 PolarHBondContact O-N 3.32Å; H554-G560 WeakPolarHBondContact O-CA 3.33Å; H554-E611 IonicContact CE1-OE1 2.74Å; H554-E611 IonicContact CE1-OE2 2.65Å; H554-E611 PolarHBondContact CE1-OE2 2.59Å; H554-E611 VanDerWaalsContact CE1-OE2 3.28Å; H554-E611 IonicContact NE2-OE2 3.12Å; H554-E611 PolarHBondContact NE2-OE2 2.86Å
555	A	95.8	Very high	95.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.8	-28.2	179.4	0	0	0	0	0	113.3	K438 M442 Y512 I552 M553 G560	K438-A555 HydrophobicContact CD-CB 4.47Å; K438-A555 VanDerWaalsContact CD-O 3.23Å; K438-A555 WeakPolarHBondContact CD-O 3.34Å; K438-A555 VanDerWaalsContact CE-O 3.26Å; K438-A555 WeakPolarHBondContact CE-O 3.11Å; K438-A555 PolarHBondContact NZ-O 3.06Å; M442-A555 HydrophobicContact CE-CB 3.06Å; Y512-A555 HydrophobicContact CD2-CB 4.44Å; Y512-A555 HydrophobicContact CE1-CB 3.92Å; Y512-A555 HydrophobicContact CE2-CB 3.75Å; Y512-A555 VanDerWaalsContact CZ-CB 3.47Å; I552-A555 WeakPolarHBondContact O-CB 3.41Å; I552-A555 PolarHBondContact O-N 3.31Å; M553-A555 PolarHBondContact O-N 3.31Å; M553-A555 VanDerWaalsContact O-N 3.16Å; A555-G560 CarbonylContact O-C 3.32Å; A555-G560 VanDerWaalsContact O-CA 3.23Å; A555-G560 WeakPolarHBondContact O-CA 3.13Å
556	I	94.7	Very high	95	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	14.8	179.4	62	-177.7	0	0	0	112.4	I417 M435 V439 M553 H554 I582 W715	I417-I556 HydrophobicContact CG2-CD1 3.78Å; M435-I556 HydrophobicContact CB-CG2 4.01Å; M435-I556 HydrophobicContact CG-CB 4.23Å; M435-I556 HydrophobicContact CG-CG2 4.02Å; V439-I556 HydrophobicContact CG2-CD1 4.11Å; V439-I556 HydrophobicContact CG2-CG2 3.58Å; M553-I556 HydrophobicContact CE-CD1 4.19Å; M553-I556 CarbonylContact O-C 3.58Å; M553-I556 WeakPolarHBondContact O-CG1 3.4Å; M553-I556 PolarHBondContact O-N 3.01Å; M553-I556 HydrophobicContact SD-CD1 4.29Å; H554-I556 PolarHBondContact O-N 3.32Å; I556-I582 WeakPolarHBondContact O-CD1 3.47Å; I556-W715 HydrophobicContact CB-CH2 3.77Å; I556-W715 HydrophobicContact CB-CZ2 4.39Å; I556-W715 HydrophobicContact CD1-CE3 4.23Å; I556-W715 HydrophobicContact CD1-CH2 3.55Å; I556-W715 HydrophobicContact CD1-CZ2 4.34Å; I556-W715 HydrophobicContact CD1-CZ3 3.48Å; I556-W715 VanDerWaalsContact CD1-CZ3 3.48Å; I556-W715 HydrophobicContact CG1-CH2 3.59Å; I556-W715 HydrophobicContact CG1-CZ2 4.07Å; I556-W715 HydrophobicContact CG1-CZ3 4.09Å; I556-W715 WeakPolarHBondContact O-CH2 3.34Å; I556-W715 WeakPolarHBondContact O-CZ2 3.33Å
557	G	94.4	Very high	94.3	Very high	3 Å²	3	25 Å²	25	3%	0.031	13%	0.125	C	C	.	.	S	Bend	trans	-75.4	-167.2	173.1	0	0	0	0	0	113.9	M553 H554 E559 G560 V561 E610	M553-G557 PolarHBondContact O-N 3.39Å; H554-G557 PolarHBondContact O-N 3.32Å; G557-E559 PolarHBondContact O-N 3.02Å; G557-G560 PolarHBondContact O-N 2.84Å; G557-V561 WeakPolarHBondContact O-CG1 3.45Å; G557-V561 WeakPolarHBondContact O-CG2 3.26Å; G557-V561 PolarHBondContact O-N 2.93Å; G557-V561 VanDerWaalsContact O-N 3.07Å; G557-E610 WeakPolarHBondContact CA-OE2 3.29Å
558	I	94.7	Very high	93.9	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.026	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-49.4	-175.6	-58.6	172.4	0	0	0	111.9	S579 I582 Q583 V606 Q609 E610 L613	I558-S579 WeakPolarHBondContact CG2-OG 3.39Å; I558-S579 VanDerWaalsContact O-CB 3.25Å; I558-S579 WeakPolarHBondContact O-CB 3.22Å; I558-S579 PolarHBondContact O-OG 3.38Å; I558-I582 HydrophobicContact CG1-CB 4.34Å; I558-I582 HydrophobicContact CG1-CG2 3.69Å; I558-Q583 HydrophobicContact CD1-CB 4.18Å; I558-Q583 HydrophobicContact CD1-CG 4.35Å; I558-Q583 HydrophobicContact CG1-CB 4.41Å; I558-Q583 HydrophobicContact CG2-CB 4.35Å; I558-V606 HydrophobicContact CD1-CG1 4.5Å; I558-V606 HydrophobicContact CG2-CG1 4.11Å; I558-Q609 HydrophobicContact CD1-CB 3.79Å; I558-E610 VanDerWaalsContact CA-OE1 3.3Å; I558-E610 WeakPolarHBondContact CA-OE1 3.4Å; I558-E610 HydrophobicContact CB-CG 4.08Å; I558-E610 VanDerWaalsContact CB-OE1 3.31Å; I558-E610 WeakPolarHBondContact CB-OE1 3.29Å; I558-E610 HydrophobicContact CD1-CG 4.2Å; I558-E610 HydrophobicContact CG1-CG 4.34Å; I558-E610 PolarHBondContact N-OE1 3.3Å; I558-E610 PolarHBondContact N-OE2 3.31Å; I558-L613 HydrophobicContact CD1-CD1 3.96Å; I558-L613 HydrophobicContact CG1-CD1 3.88Å
559	E	93.5	Very high	93.4	Very high	104 Å²	104	38.5 Å²	38.5	49%	0.486	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-37.1	177.4	-61.7	-168	157.4	0	0	110.9	G557 V561 L562 E610	G557-E559 PolarHBondContact O-N 3.02Å; E559-V561 VanDerWaalsContact C-N 3.32Å; E559-V561 PolarHBondContact O-N 3.24Å; E559-L562 VanDerWaalsContact O-CB 3.25Å; E559-L562 WeakPolarHBondContact O-CB 2.96Å; E559-L562 PolarHBondContact O-N 3.35Å; E559-E610 PolarHBondContact N-OE1 3.23Å
560	G	93.4	Very high	92.9	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.01	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-53.8	-46.4	179.7	0	0	0	0	0	112.5	K438 H554 A555 G557 L562 L563	K438-G560 VanDerWaalsContact NZ-C 3.34Å; K438-G560 PolarHBondContact NZ-O 3.42Å; H554-G560 WeakPolarHBondContact O-CA 3.33Å; A555-G560 CarbonylContact O-C 3.32Å; A555-G560 VanDerWaalsContact O-CA 3.23Å; A555-G560 WeakPolarHBondContact O-CA 3.13Å; G557-G560 PolarHBondContact O-N 2.84Å; G560-L562 PolarHBondContact O-N 2.85Å; G560-L562 VanDerWaalsContact O-N 3.09Å; G560-L563 PolarHBondContact O-N 3.3Å
561	V	92.9	Very high	92.3	Very high	4 Å²	4	46 Å²	46	2%	0.024	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-66.2	-13.5	179.5	-64.2	0	0	0	0	114.5	M435 G557 E559 L563 R570 I582	M435-V561 HydrophobicContact CE-CG1 3.52Å; M435-V561 HydrophobicContact CG-CG1 4.36Å; G557-V561 WeakPolarHBondContact O-CG1 3.45Å; G557-V561 WeakPolarHBondContact O-CG2 3.26Å; G557-V561 PolarHBondContact O-N 2.93Å; G557-V561 VanDerWaalsContact O-N 3.07Å; E559-V561 VanDerWaalsContact C-N 3.32Å; E559-V561 PolarHBondContact O-N 3.24Å; V561-L563 PolarHBondContact O-N 3.41Å; V561-R570 PolarHBondContact O-NH1 3.08Å; V561-I582 HydrophobicContact CB-CD1 4.27Å; V561-I582 HydrophobicContact CG1-CD1 3.52Å; V561-I582 HydrophobicContact CG2-CD1 3.79Å
562	L	93.8	Very high	91.8	Very high	45 Å²	45	47.6 Å²	47.6	24%	0.236	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-75.9	-5.7	174.3	-57.9	175.7	0	0	0	112.6	E559 G560 R570 A575	E559-L562 VanDerWaalsContact O-CB 3.25Å; E559-L562 WeakPolarHBondContact O-CB 2.96Å; E559-L562 PolarHBondContact O-N 3.35Å; G560-L562 PolarHBondContact O-N 2.85Å; G560-L562 VanDerWaalsContact O-N 3.09Å; L562-R570 WeakPolarHBondContact O-CB 3.07Å; L562-R570 PolarHBondContact O-N 3.37Å; L562-A575 HydrophobicContact CD2-CB 4.5Å
563	L	92.9	Very high	91.3	Very high	33 Å²	33	54.9 Å²	54.9	17%	0.173	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-116.2	140.5	177.1	-56.1	176.7	0	0	0	110.1	N514 G560 V561 N568 R569	N514-L563 HydrophobicContact CB-CD1 3.71Å; G560-L563 PolarHBondContact O-N 3.3Å; V561-L563 PolarHBondContact O-N 3.41Å; L563-N568 WeakPolarHBondContact CA-O 3.38Å; L563-R569 HydrophobicContact CD2-CB 4.31Å
564	D	89.6	Confident	90.8	Very high	41 Å²	41	57.5 Å²	57.5	22%	0.219	28%	0.284	C	S	.	.			trans	-79.2	-178.3	172	75.9	11	0	0	0	111.9	N566 N567 N568 R570	D564-N566 PolarHBondContact O-N 3.28Å; D564-N566 VanDerWaalsContact OD1-CA 3.29Å; D564-N566 WeakPolarHBondContact OD1-CA 3.31Å; D564-N566 WeakPolarHBondContact OD1-CB 3.34Å; D564-N566 PolarHBondContact OD1-N 2.97Å; D564-N567 PolarHBondContact O-N 3.23Å; D564-N567 VanDerWaalsContact O-N 3.1Å; D564-N567 PolarHBondContact OD1-N 3.38Å; D564-N568 PolarHBondContact N-O 2.89Å; D564-N568 PolarHBondContact OD1-N 2.92Å; D564-N568 WeakPolarHBondContact OD2-CB 3.32Å; D564-N568 PolarHBondContact OD2-ND2 3.13Å; D564-N568 VanDerWaalsContact OD2-ND2 3.1Å; D564-R570 HydrophobicContact CB-CG 3.97Å
565	K	87.5	Confident	90.4	Very high	77 Å²	77	56 Å²	56	34%	0.335	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-14.7	179.4	74.5	-169.7	-166.5	170.5	0	114.7	Q437 N441	Q437-K565 HydrophobicContact CB-CD 4.15Å; N441-K565 HydrophobicContact CB-CB 4.11Å; N441-K565 VanDerWaalsContact ND2-CD 3.33Å; N441-K565 WeakPolarHBondContact ND2-CD 3.23Å
566	N	87.1	Confident	90.2	Very high	99 Å²	99	60.6 Å²	60.6	53%	0.529	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	10.9	178.6	-60.9	-27.4	0	0	0	111.1	D564 N568	D564-N566 PolarHBondContact O-N 3.28Å; D564-N566 VanDerWaalsContact OD1-CA 3.29Å; D564-N566 WeakPolarHBondContact OD1-CA 3.31Å; D564-N566 WeakPolarHBondContact OD1-CB 3.34Å; D564-N566 PolarHBondContact OD1-N 2.97Å; N566-N568 VanDerWaalsContact C-N 3.27Å; N566-N568 PolarHBondContact O-N 3.47Å
567	N	84.5	Confident	90.1	Very high	39 Å²	39	63.5 Å²	63.5	21%	0.209	32%	0.317	C	S	.	.			trans	68.6	16.3	179.6	-47.1	-43.8	0	0	0	115.4	N514 D515 E516 N517 D564	N514-N567 PolarHBondContact O-OD1 2.63Å; N514-N567 VanDerWaalsContact O-OD1 3.14Å; D515-N567 VanDerWaalsContact C-ND2 3.33Å; D515-N567 PolarHBondContact O-ND2 3.46Å; E516-N567 VanDerWaalsContact CA-ND2 3.29Å; E516-N567 WeakPolarHBondContact CA-ND2 3.47Å; E516-N567 PolarHBondContact N-ND2 2.71Å; N517-N567 VanDerWaalsContact CB-OD1 3.25Å; N517-N567 WeakPolarHBondContact CB-OD1 3.02Å; N517-N567 PolarHBondContact N-ND2 2.6Å; N517-N567 PolarHBondContact N-OD1 2.02Å; D564-N567 PolarHBondContact O-N 3.23Å; D564-N567 VanDerWaalsContact O-N 3.1Å; D564-N567 PolarHBondContact OD1-N 3.38Å
568	N	89.6	Confident	90	Very high	93 Å²	93	63.5 Å²	63.5	50%	0.497	32%	0.316	S	S	.	.			trans	-75.2	137.1	170.9	-55	-62.2	0	0	0	109.7	L563 D564 N566 R570	L563-N568 WeakPolarHBondContact CA-O 3.38Å; D564-N568 PolarHBondContact N-O 2.89Å; D564-N568 PolarHBondContact OD1-N 2.92Å; D564-N568 WeakPolarHBondContact OD2-CB 3.32Å; D564-N568 PolarHBondContact OD2-ND2 3.13Å; D564-N568 VanDerWaalsContact OD2-ND2 3.1Å; N566-N568 VanDerWaalsContact C-N 3.27Å; N566-N568 PolarHBondContact O-N 3.47Å; N568-R570 PolarHBondContact O-N 3.07Å
569	R	88.7	Confident	89.9	Confident	198 Å²	198	63.6 Å²	63.6	75%	0.747	32%	0.317	S	S	*	.	B	Isolated β-bridge	trans	-63.5	120.5	172.4	-169.7	177.4	-176.3	-170.9	2.2	110.2	L563 T571	L563-R569 HydrophobicContact CD2-CB 4.31Å; R569-T571 PolarHBondContact O-N 3.47Å
570	R	88	Confident	90	Very high	33 Å²	33	64 Å²	64	13%	0.125	32%	0.318	C	S	.	.			trans	-81.9	109.2	173.9	-62.4	171.5	55.6	-156.9	-4.7	108.8	V561 L562 D564 N568 A575	V561-R570 PolarHBondContact O-NH1 3.08Å; L562-R570 WeakPolarHBondContact O-CB 3.07Å; L562-R570 PolarHBondContact O-N 3.37Å; D564-R570 HydrophobicContact CB-CG 3.97Å; N568-R570 PolarHBondContact O-N 3.07Å; R570-A575 HydrophobicContact CB-CB 3.47Å; R570-A575 VanDerWaalsContact CB-CB 3.47Å
571	T	86	Confident	90	Very high	130 Å²	130	66.4 Å²	66.4	80%	0.798	33%	0.33	S	S	*	.			trans	-93.6	3.1	177.7	54.9	0	0	0	0	113.1	R569	R569-T571 PolarHBondContact O-N 3.47Å
572	S	86.9	Confident	90	Very high	51 Å²	51	66.2 Å²	66.2	36%	0.357	33%	0.329	S	S	.	.	S	Bend	trans	-68.2	151	179.7	65.4	0	0	0	0	111.9	D574 A575 L576	S572-D574 PolarHBondContact O-N 3.44Å; S572-A575 WeakPolarHBondContact O-CB 3.19Å; S572-A575 PolarHBondContact O-N 3.37Å; S572-A575 PolarHBondContact OG-N 2.91Å; S572-L576 PolarHBondContact O-N 2.53Å
573	F	88.5	Confident	90	Very high	153 Å²	153	65.9 Å²	65.9	67%	0.671	33%	0.326	S	S	*	.	H	α-helix	trans	-54.8	-39	174	-179.6	-102.1	0	0	0	111.7	A575 L576 L577	F573-A575 VanDerWaalsContact C-N 3.29Å; F573-A575 PolarHBondContact O-N 2.81Å; F573-L576 PolarHBondContact O-N 3.09Å; F573-L577 HydrophobicContact CE1-CB 4.48Å; F573-L577 HydrophobicContact CE1-CD2 4.14Å; F573-L577 VanDerWaalsContact O-CB 3.28Å; F573-L577 WeakPolarHBondContact O-CB 3.24Å; F573-L577 PolarHBondContact O-N 3.33Å
574	D	87.5	Confident	90.1	Very high	66 Å²	66	66.8 Å²	66.8	35%	0.353	34%	0.335	S	S	.	.	H	α-helix	trans	-61.6	-33.6	177.5	-64	-42.5	0	0	0	113.5	S572 S578	S572-D574 PolarHBondContact O-N 3.44Å; D574-S578 WeakPolarHBondContact O-CB 3.04Å; D574-S578 PolarHBondContact O-N 2.92Å; D574-S578 PolarHBondContact O-OG 2.99Å
575	A	89.2	Confident	90.2	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-70.2	-46.2	178.2	0	0	0	0	0	111.1	L562 R570 S572 F573 L577 S578 S579	L562-A575 HydrophobicContact CD2-CB 4.5Å; R570-A575 HydrophobicContact CB-CB 3.47Å; R570-A575 VanDerWaalsContact CB-CB 3.47Å; S572-A575 WeakPolarHBondContact O-CB 3.19Å; S572-A575 PolarHBondContact O-N 3.37Å; S572-A575 PolarHBondContact OG-N 2.91Å; F573-A575 VanDerWaalsContact C-N 3.29Å; F573-A575 PolarHBondContact O-N 2.81Å; A575-L577 VanDerWaalsContact C-N 3.34Å; A575-S578 PolarHBondContact O-N 3.33Å; A575-S579 PolarHBondContact O-N 3.26Å
576	L	91.5	Very high	90.5	Very high	96 Å²	96	65.2 Å²	65.2	50%	0.503	33%	0.327	S	S	.	.	H	α-helix	trans	-62.6	-42.7	175.2	-178	62.7	0	0	0	111.4	S572 F573 S579 K580	S572-L576 PolarHBondContact O-N 2.53Å; F573-L576 PolarHBondContact O-N 3.09Å; L576-S579 PolarHBondContact O-N 3.21Å; L576-K580 HydrophobicContact CD1-CG 4.4Å; L576-K580 WeakPolarHBondContact O-CB 3.37Å; L576-K580 WeakPolarHBondContact O-CG 3.26Å; L576-K580 PolarHBondContact O-N 3.08Å
577	L	91.9	Very high	90.8	Very high	62 Å²	62	64 Å²	64	33%	0.325	32%	0.32	S	S	.	.	H	α-helix	trans	-60.1	-47.2	174.7	-178.8	61.4	0	0	0	110.9	F573 A575 S579 K580 L581	F573-L577 HydrophobicContact CE1-CB 4.48Å; F573-L577 HydrophobicContact CE1-CD2 4.14Å; F573-L577 VanDerWaalsContact O-CB 3.28Å; F573-L577 WeakPolarHBondContact O-CB 3.24Å; F573-L577 PolarHBondContact O-N 3.33Å; A575-L577 VanDerWaalsContact C-N 3.34Å; L577-S579 VanDerWaalsContact C-N 3.35Å; L577-S579 PolarHBondContact O-N 3.45Å; L577-K580 PolarHBondContact O-N 3.21Å; L577-L581 HydrophobicContact CD1-CD1 4.14Å; L577-L581 HydrophobicContact CD1-CG 4.11Å; L577-L581 HydrophobicContact CG-CD1 3.89Å; L577-L581 HydrophobicContact CG-CG 4.31Å; L577-L581 WeakPolarHBondContact O-CB 3.49Å; L577-L581 VanDerWaalsContact O-CG 3.24Å; L577-L581 WeakPolarHBondContact O-CG 3.45Å; L577-L581 PolarHBondContact O-N 3.48Å
578	S	92.2	Very high	91.3	Very high	3 Å²	3	64.7 Å²	64.7	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-58.5	-46.8	177.7	-56.8	0	0	0	0	111.7	D574 A575 K580 L581 I582	D574-S578 WeakPolarHBondContact O-CB 3.04Å; D574-S578 PolarHBondContact O-N 2.92Å; D574-S578 PolarHBondContact O-OG 2.99Å; A575-S578 PolarHBondContact O-N 3.33Å; S578-K580 PolarHBondContact O-N 2.93Å; S578-L581 PolarHBondContact O-N 3.24Å; S578-I582 WeakPolarHBondContact O-CG1 3.37Å; S578-I582 PolarHBondContact O-N 3.48Å
579	S	93.7	Very high	91.6	Very high	7 Å²	7	60.4 Å²	60.4	5%	0.049	30%	0.304	C	S	.	.	H	α-helix	trans	-59.5	-46.8	177.9	177.9	0	0	0	0	111.6	I558 A575 L576 L577 L581 I582 Q583	I558-S579 WeakPolarHBondContact CG2-OG 3.39Å; I558-S579 VanDerWaalsContact O-CB 3.25Å; I558-S579 WeakPolarHBondContact O-CB 3.22Å; I558-S579 PolarHBondContact O-OG 3.38Å; A575-S579 PolarHBondContact O-N 3.26Å; L576-S579 PolarHBondContact O-N 3.21Å; L577-S579 VanDerWaalsContact C-N 3.35Å; L577-S579 PolarHBondContact O-N 3.45Å; S579-L581 PolarHBondContact O-N 3.48Å; S579-I582 PolarHBondContact O-N 2.99Å; S579-Q583 WeakPolarHBondContact O-CB 3.38Å; S579-Q583 PolarHBondContact O-N 3.34Å
580	K	94.4	Very high	91.9	Very high	113 Å²	113	51 Å²	51	49%	0.491	27%	0.269	S	S	.	.	H	α-helix	trans	-68.8	-33.7	178.5	-69.6	-68.5	166.7	-165.4	0	113.2	L576 L577 S578 S584	L576-K580 HydrophobicContact CD1-CG 4.4Å; L576-K580 WeakPolarHBondContact O-CB 3.37Å; L576-K580 WeakPolarHBondContact O-CG 3.26Å; L576-K580 PolarHBondContact O-N 3.08Å; L577-K580 PolarHBondContact O-N 3.21Å; S578-K580 PolarHBondContact O-N 2.93Å; K580-S584 WeakPolarHBondContact O-CB 3.42Å; K580-S584 PolarHBondContact O-N 3.19Å
581	L	92.9	Very high	92.2	Very high	52 Å²	52	55.8 Å²	55.8	27%	0.272	29%	0.288	S	S	.	.	H	α-helix	trans	-65.6	-46.7	173.5	-74.1	172.1	0	0	0	111.1	W426 L577 S578 S579 Q583 S584 K585	W426-L581 HydrophobicContact CE3-CB 4.1Å; W426-L581 HydrophobicContact CZ3-CB 3.79Å; L577-L581 HydrophobicContact CD1-CD1 4.14Å; L577-L581 HydrophobicContact CD1-CG 4.11Å; L577-L581 HydrophobicContact CG-CD1 3.89Å; L577-L581 HydrophobicContact CG-CG 4.31Å; L577-L581 WeakPolarHBondContact O-CB 3.49Å; L577-L581 VanDerWaalsContact O-CG 3.24Å; L577-L581 WeakPolarHBondContact O-CG 3.45Å; L577-L581 PolarHBondContact O-N 3.48Å; S578-L581 PolarHBondContact O-N 3.24Å; S579-L581 PolarHBondContact O-N 3.48Å; L581-Q583 VanDerWaalsContact C-N 3.34Å; L581-Q583 PolarHBondContact O-N 2.99Å; L581-S584 PolarHBondContact O-N 3.36Å; L581-S584 VanDerWaalsContact O-N 3.16Å; L581-S584 PolarHBondContact O-OG 3.46Å; L581-K585 WeakPolarHBondContact O-CG 3.47Å; L581-K585 PolarHBondContact O-N 3.43Å
582	I	94.1	Very high	92.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.7	-48.6	174.9	-65.6	161.9	0	0	0	110.2	W426 M435 I556 I558 V561 S578 S579 S584 K585 A586 L613	W426-I582 HydrophobicContact CH2-CG1 3.67Å; W426-I582 HydrophobicContact CZ3-CG1 4.29Å; M435-I582 HydrophobicContact CE-CD1 3.81Å; M435-I582 HydrophobicContact CE-CG1 4.48Å; I556-I582 WeakPolarHBondContact O-CD1 3.47Å; I558-I582 HydrophobicContact CG1-CB 4.34Å; I558-I582 HydrophobicContact CG1-CG2 3.69Å; V561-I582 HydrophobicContact CB-CD1 4.27Å; V561-I582 HydrophobicContact CG1-CD1 3.52Å; V561-I582 HydrophobicContact CG2-CD1 3.79Å; S578-I582 WeakPolarHBondContact O-CG1 3.37Å; S578-I582 PolarHBondContact O-N 3.48Å; S579-I582 PolarHBondContact O-N 2.99Å; I582-S584 VanDerWaalsContact C-N 3.27Å; I582-S584 PolarHBondContact O-N 3.46Å; I582-K585 PolarHBondContact O-N 3.15Å; I582-A586 PolarHBondContact O-N 3.24Å; I582-L613 HydrophobicContact CG2-CD1 3.59Å
583	Q	94.3	Very high	93.1	Very high	37 Å²	37	48.7 Å²	48.7	17%	0.173	24%	0.24	C	C	.	.	H	α-helix	trans	-56.2	-43.2	176.5	-173.8	174.6	31.3	0	0	111.5	I558 S579 L581 K585 A586 Q609	I558-Q583 HydrophobicContact CD1-CB 4.18Å; I558-Q583 HydrophobicContact CD1-CG 4.35Å; I558-Q583 HydrophobicContact CG1-CB 4.41Å; I558-Q583 HydrophobicContact CG2-CB 4.35Å; S579-Q583 WeakPolarHBondContact O-CB 3.38Å; S579-Q583 PolarHBondContact O-N 3.34Å; L581-Q583 VanDerWaalsContact C-N 3.34Å; L581-Q583 PolarHBondContact O-N 2.99Å; Q583-K585 VanDerWaalsContact C-N 3.31Å; Q583-K585 PolarHBondContact O-N 3.2Å; Q583-A586 WeakPolarHBondContact O-CB 3.26Å; Q583-A586 PolarHBondContact O-N 2.82Å; Q583-Q609 VanDerWaalsContact NE2-OE1 3.15Å
584	S	93.7	Very high	93.4	Very high	53 Å²	53	42.6 Å²	42.6	37%	0.371	22%	0.216	S	C	.	.	H	α-helix	trans	-65.4	-33.8	177.9	77.6	0	0	0	0	112.9	K580 L581 I582 I587	K580-S584 WeakPolarHBondContact O-CB 3.42Å; K580-S584 PolarHBondContact O-N 3.19Å; L581-S584 PolarHBondContact O-N 3.36Å; L581-S584 VanDerWaalsContact O-N 3.16Å; L581-S584 PolarHBondContact O-OG 3.46Å; I582-S584 VanDerWaalsContact C-N 3.27Å; I582-S584 PolarHBondContact O-N 3.46Å; S584-I587 WeakPolarHBondContact O-CB 3.39Å; S584-I587 WeakPolarHBondContact O-CG1 3.41Å; S584-I587 PolarHBondContact O-N 2.97Å
585	K	91.8	Very high	93.7	Very high	83 Å²	83	47.7 Å²	47.7	36%	0.361	24%	0.235	S	C	.	.	H	α-helix	trans	-74.2	-29	176.7	-65.8	-68.1	179.2	-176.3	0	112.3	W426 L581 I582 Q583 I587 V714	W426-K585 HydrophobicContact CD2-CD 4.41Å; W426-K585 HydrophobicContact CD2-CG 4.05Å; W426-K585 HydrophobicContact CE3-CG 4.41Å; W426-K585 HydrophobicContact CG-CD 4.35Å; W426-K585 VanDerWaalsContact CG-CE 3.46Å; W426-K585 HydrophobicContact CG-CG 4.5Å; W426-K585 HydrophobicContact CZ2-CG 4.15Å; L581-K585 WeakPolarHBondContact O-CG 3.47Å; L581-K585 PolarHBondContact O-N 3.43Å; I582-K585 PolarHBondContact O-N 3.15Å; Q583-K585 VanDerWaalsContact C-N 3.31Å; Q583-K585 PolarHBondContact O-N 3.2Å; K585-I587 PolarHBondContact O-N 2.86Å; K585-V714 HydrophobicContact CB-CB 4.49Å; K585-V714 HydrophobicContact CB-CG1 3.65Å; K585-V714 HydrophobicContact CB-CG2 4.36Å; K585-V714 WeakPolarHBondContact O-CG2 3.45Å
586	A	93.7	Very high	93.9	Very high	2 Å²	2	49.9 Å²	49.9	2%	0.017	24%	0.244	C	C	.	.	H	α-helix	trans	-67.1	-16.6	173.3	0	0	0	0	0	113.6	I582 Q583 C588 L589 S590 L613	I582-A586 PolarHBondContact O-N 3.24Å; Q583-A586 WeakPolarHBondContact O-CB 3.26Å; Q583-A586 PolarHBondContact O-N 2.82Å; A586-C588 VanDerWaalsContact C-N 3.28Å; A586-C588 PolarHBondContact O-N 3.03Å; A586-L589 WeakPolarHBondContact O-CB 3.35Å; A586-L589 PolarHBondContact O-N 2.94Å; A586-S590 PolarHBondContact O-N 2.94Å; A586-S590 PolarHBondContact O-OG 3.21Å; A586-L613 HydrophobicContact CB-CD1 3.91Å; A586-L613 HydrophobicContact CB-CD2 3.91Å; A586-L613 HydrophobicContact CB-CG 3.93Å
587	I	94.2	Very high	93.9	Very high	73 Å²	73	50.7 Å²	50.7	37%	0.374	25%	0.249	S	C	.	.	H	α-helix	trans	-58.1	-38	-175.2	-69.7	175.1	0	0	0	112.5	S584 K585 L589 S590 Y591	S584-I587 WeakPolarHBondContact O-CB 3.39Å; S584-I587 WeakPolarHBondContact O-CG1 3.41Å; S584-I587 PolarHBondContact O-N 2.97Å; K585-I587 PolarHBondContact O-N 2.86Å; I587-L589 VanDerWaalsContact C-N 3.34Å; I587-L589 PolarHBondContact O-N 3.33Å; I587-S590 PolarHBondContact O-N 3.02Å; I587-Y591 HydrophobicContact CG2-CD2 3.44Å; I587-Y591 VanDerWaalsContact CG2-CD2 3.44Å; I587-Y591 HydrophobicContact CG2-CE2 3.3Å; I587-Y591 VanDerWaalsContact O-CD2 3.22Å; I587-Y591 WeakPolarHBondContact O-CD2 3.43Å; I587-Y591 PolarHBondContact O-N 3.41Å
588	C	95.1	Very high	93.8	Very high	54 Å²	54	52.9 Å²	52.9	37%	0.365	26%	0.256	S	S	.	.	H	α-helix	trans	-58.1	-49.4	175.8	-172.5	0	0	0	0	110.8	A586 Y591 Q592 C712	A586-C588 VanDerWaalsContact C-N 3.28Å; A586-C588 PolarHBondContact O-N 3.03Å; C588-Y591 PolarHBondContact O-N 3.37Å; C588-Q592 PolarHBondContact O-N 3.45Å; C588-C712 HydrophobicContact CB-CB 3.75Å; C588-C712 WeakPolarHBondContact CB-SG 3.41Å; C588-C712 PolarHBondContact O-SG 3.41Å; C588-C712 VanDerWaalsContact SG-CA 3.55Å; C588-C712 WeakPolarHBondContact SG-CB 3.34Å; C588-C712 CovalentContact SG-SG 2.04Å; C588-C712 PolarHBondContact SG-SG 3.03Å
589	L	95.8	Very high	93.7	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-62.7	-45	176.4	-64.3	168.5	0	0	0	110.6	A586 I587 Y591 Q592 Y593 I612 L613 N616 N690 C712 V714	A586-L589 WeakPolarHBondContact O-CB 3.35Å; A586-L589 PolarHBondContact O-N 2.94Å; I587-L589 VanDerWaalsContact C-N 3.34Å; I587-L589 PolarHBondContact O-N 3.33Å; L589-Y591 VanDerWaalsContact C-N 3.32Å; L589-Y591 PolarHBondContact O-N 2.88Å; L589-Q592 PolarHBondContact O-N 3.38Å; L589-Y593 HydrophobicContact CB-CD2 4.47Å; L589-Y593 HydrophobicContact CD2-CE2 4.41Å; L589-Y593 WeakPolarHBondContact O-CB 3.31Å; L589-Y593 WeakPolarHBondContact O-CD2 3.37Å; L589-Y593 PolarHBondContact O-N 3.2Å; L589-I612 HydrophobicContact CB-CG2 3.74Å; L589-I612 HydrophobicContact CD1-CG2 4.07Å; L589-I612 HydrophobicContact CG-CG2 4.37Å; L589-L613 HydrophobicContact CD1-CD2 4.04Å; L589-N616 HydrophobicContact CD1-CB 4.42Å; L589-N690 WeakPolarHBondContact CD2-ND2 3.27Å; L589-C712 HydrophobicContact CD2-CB 3.51Å; L589-C712 HydrophobicContact CG-CB 3.89Å; L589-V714 HydrophobicContact CD1-CG2 3.72Å; L589-V714 HydrophobicContact CG-CG2 4.41Å
590	S	95.1	Very high	93.3	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.007	28%	0.277	C	S	.	.	H	α-helix	trans	-56.1	-45.1	176.5	-67.3	0	0	0	0	112.6	A586 I587 S594 A603 Q609	A586-S590 PolarHBondContact O-N 2.94Å; A586-S590 PolarHBondContact O-OG 3.21Å; I587-S590 PolarHBondContact O-N 3.02Å; S590-S594 VanDerWaalsContact O-CB 3.32Å; S590-S594 WeakPolarHBondContact O-CB 3.35Å; S590-S594 PolarHBondContact O-N 2.94Å; S590-A603 VanDerWaalsContact CB-O 3.22Å; S590-A603 WeakPolarHBondContact CB-O 3.39Å; S590-A603 WeakPolarHBondContact O-CB 3.22Å; S590-A603 PolarHBondContact OG-O 2.87Å; S590-Q609 WeakPolarHBondContact OG-CG 3.39Å; S590-Q609 PolarHBondContact OG-NE2 3.12Å
591	Y	94.9	Very high	92.8	Very high	134 Å²	134	57.6 Å²	57.6	53%	0.525	29%	0.291	S	S	.	.	H	α-helix	trans	-63.6	-47.9	176.1	-84.8	-65.5	0	0	0	111.7	I587 C588 L589 Y593 S594 F595 F604	I587-Y591 HydrophobicContact CG2-CD2 3.44Å; I587-Y591 VanDerWaalsContact CG2-CD2 3.44Å; I587-Y591 HydrophobicContact CG2-CE2 3.3Å; I587-Y591 VanDerWaalsContact O-CD2 3.22Å; I587-Y591 WeakPolarHBondContact O-CD2 3.43Å; I587-Y591 PolarHBondContact O-N 3.41Å; C588-Y591 PolarHBondContact O-N 3.37Å; L589-Y591 VanDerWaalsContact C-N 3.32Å; L589-Y591 PolarHBondContact O-N 2.88Å; Y591-Y593 PolarHBondContact O-N 3.47Å; Y591-S594 WeakPolarHBondContact O-CB 3.31Å; Y591-S594 PolarHBondContact O-N 3.01Å; Y591-S594 VanDerWaalsContact O-N 3.16Å; Y591-S594 PolarHBondContact O-OG 2.98Å; Y591-F595 WeakPolarHBondContact O-CD2 3.3Å; Y591-F595 WeakPolarHBondContact O-CE2 3.37Å; Y591-F604 HydrophobicContact CD1-CE1 4.25Å; Y591-F604 AromaticContact CD1-CZ 3.64Å; Y591-F604 HydrophobicContact CD1-CZ 3.64Å; Y591-F604 HydrophobicContact CD2-CE1 4.37Å; Y591-F604 HydrophobicContact CE1-CE1 4.17Å; Y591-F604 AromaticContact CE1-CZ 3.73Å; Y591-F604 HydrophobicContact CE1-CZ 3.73Å; Y591-F604 HydrophobicContact CE2-CE1 4.3Å; Y591-F604 HydrophobicContact CG-CE1 4.33Å; Y591-F604 HydrophobicContact CG-CZ 4.04Å
592	Q	94.6	Very high	92.7	Very high	31 Å²	31	55.6 Å²	55.6	15%	0.145	28%	0.28	C	S	.	.	H	α-helix	trans	-58.5	-48.3	177.8	-176.5	-171.8	46.1	0	0	111.5	C588 L589 S594 F595 V689 N690	C588-Q592 PolarHBondContact O-N 3.45Å; L589-Q592 PolarHBondContact O-N 3.38Å; Q592-S594 VanDerWaalsContact C-N 3.26Å; Q592-S594 PolarHBondContact O-N 3.15Å; Q592-F595 PolarHBondContact O-N 3.32Å; Q592-V689 VanDerWaalsContact NE2-CG2 3.28Å; Q592-N690 PolarHBondContact NE2-OD1 2.76Å; Q592-N690 PolarHBondContact OE1-ND2 3.44Å; Q592-N690 PolarHBondContact OE1-OD1 3.46Å
593	Y	95.8	Very high	92.7	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.8	-29	178.8	-83.9	-109.6	0	0	0	112	L589 Y591 F595 Y596 T599 I612 N616 V678 F682 G686 V687	L589-Y593 HydrophobicContact CB-CD2 4.47Å; L589-Y593 HydrophobicContact CD2-CE2 4.41Å; L589-Y593 WeakPolarHBondContact O-CB 3.31Å; L589-Y593 WeakPolarHBondContact O-CD2 3.37Å; L589-Y593 PolarHBondContact O-N 3.2Å; Y591-Y593 PolarHBondContact O-N 3.47Å; Y593-F595 PolarHBondContact O-N 2.95Å; Y593-F595 VanDerWaalsContact O-N 3.14Å; Y593-Y596 AromaticContact CD1-CD2 4Å; Y593-Y596 HydrophobicContact CD1-CD2 4Å; Y593-Y596 HydrophobicContact CD1-CE2 4.08Å; Y593-Y596 HydrophobicContact CD2-CE2 4.4Å; Y593-Y596 HydrophobicContact CE1-CE2 4.44Å; Y593-Y596 HydrophobicContact CG-CD2 4.15Å; Y593-Y596 HydrophobicContact CG-CE2 4.09Å; Y593-Y596 WeakPolarHBondContact O-CB 3.21Å; Y593-Y596 PolarHBondContact O-N 3.4Å; Y593-T599 WeakPolarHBondContact O-CB 3.29Å; Y593-T599 PolarHBondContact O-OG1 3.37Å; Y593-I612 HydrophobicContact CD1-CD1 3.72Å; Y593-I612 HydrophobicContact CD1-CG1 3.93Å; Y593-I612 HydrophobicContact CD2-CD1 4.27Å; Y593-I612 HydrophobicContact CD2-CG2 3.96Å; Y593-I612 HydrophobicContact CE1-CD1 4.21Å; Y593-I612 HydrophobicContact CE1-CG1 3.88Å; Y593-I612 HydrophobicContact CE1-CG2 4.36Å; Y593-I612 HydrophobicContact CE2-CG2 3.59Å; Y593-I612 HydrophobicContact CG-CD1 3.73Å; Y593-I612 HydrophobicContact CG-CG1 4.27Å; Y593-I612 HydrophobicContact CG-CG2 4.45Å; Y593-N616 PolarHBondContact OH-ND2 3.44Å; Y593-N616 VanDerWaalsContact OH-ND2 3.11Å; Y593-V678 HydrophobicContact CD1-CG1 4.26Å; Y593-V678 HydrophobicContact CD1-CG2 4.13Å; Y593-V678 HydrophobicContact CE1-CG2 3.89Å; Y593-F682 VanDerWaalsContact CE1-O 3.3Å; Y593-F682 WeakPolarHBondContact CE1-O 3.29Å; Y593-G686 WeakPolarHBondContact OH-CA 3.47Å; Y593-V687 PolarHBondContact OH-N 3.29Å
594	S	95.2	Very high	92.7	Very high	25 Å²	25	57.8 Å²	57.8	18%	0.175	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-15.4	179.6	76.6	0	0	0	0	114.8	S590 Y591 Q592	S590-S594 VanDerWaalsContact O-CB 3.32Å; S590-S594 WeakPolarHBondContact O-CB 3.35Å; S590-S594 PolarHBondContact O-N 2.94Å; Y591-S594 WeakPolarHBondContact O-CB 3.31Å; Y591-S594 PolarHBondContact O-N 3.01Å; Y591-S594 VanDerWaalsContact O-N 3.16Å; Y591-S594 PolarHBondContact O-OG 2.98Å; Q592-S594 VanDerWaalsContact C-N 3.26Å; Q592-S594 PolarHBondContact O-N 3.15Å
595	F	94	Very high	92.7	Very high	173 Å²	173	59.4 Å²	59.4	76%	0.759	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-9.5	174.6	-66.7	-72.5	0	0	0	113.7	Y591 Q592 Y593	Y591-F595 WeakPolarHBondContact O-CD2 3.3Å; Y591-F595 WeakPolarHBondContact O-CE2 3.37Å; Q592-F595 PolarHBondContact O-N 3.32Å; Y593-F595 PolarHBondContact O-N 2.95Å; Y593-F595 VanDerWaalsContact O-N 3.14Å
596	Y	94.1	Very high	92.8	Very high	46 Å²	46	57.9 Å²	57.9	18%	0.18	29%	0.288	C	S	.	.	S	Bend	trans	-79.5	156.3	174.3	-61	-38.9	0	0	0	111.8	Y593 F598 T599 F682 T685	Y593-Y596 AromaticContact CD1-CD2 4Å; Y593-Y596 HydrophobicContact CD1-CD2 4Å; Y593-Y596 HydrophobicContact CD1-CE2 4.08Å; Y593-Y596 HydrophobicContact CD2-CE2 4.4Å; Y593-Y596 HydrophobicContact CE1-CE2 4.44Å; Y593-Y596 HydrophobicContact CG-CD2 4.15Å; Y593-Y596 HydrophobicContact CG-CE2 4.09Å; Y593-Y596 WeakPolarHBondContact O-CB 3.21Å; Y593-Y596 PolarHBondContact O-N 3.4Å; Y596-F598 PolarHBondContact O-N 3.38Å; Y596-T599 PolarHBondContact O-N 2.9Å; Y596-T599 PolarHBondContact O-OG1 2.95Å; Y596-F682 AromaticContact CD1-CD1 3.75Å; Y596-F682 HydrophobicContact CD1-CD1 3.75Å; Y596-F682 AromaticContact CD1-CE1 3.86Å; Y596-F682 HydrophobicContact CD1-CE1 3.86Å; Y596-F682 HydrophobicContact CD2-CB 3.87Å; Y596-F682 AromaticContact CD2-CD1 3.71Å; Y596-F682 HydrophobicContact CD2-CD1 3.71Å; Y596-F682 AromaticContact CD2-CG 3.88Å; Y596-F682 HydrophobicContact CD2-CG 3.88Å; Y596-F682 HydrophobicContact CE1-CD1 4.41Å; Y596-F682 HydrophobicContact CE2-CB 4.44Å; Y596-F682 HydrophobicContact CE2-CD1 4.36Å; Y596-F682 HydrophobicContact CG-CB 4.36Å; Y596-F682 AromaticContact CG-CD1 3.37Å; Y596-F682 HydrophobicContact CG-CD1 3.37Å; Y596-F682 AromaticContact CG-CE1 3.74Å; Y596-F682 HydrophobicContact CG-CE1 3.74Å; Y596-F682 AromaticContact CG-CG 3.85Å; Y596-F682 HydrophobicContact CG-CG 3.85Å; Y596-F682 HydrophobicContact CG-CZ 4.46Å; Y596-T685 HydrophobicContact CE1-CG2 4.46Å
597	D	91.1	Very high	92.9	Very high	114 Å²	114	60.3 Å²	60.3	61%	0.61	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	140.3	178.1	-64.9	-41.7	0	0	0	110.7	T599 F682	D597-T599 PolarHBondContact O-N 3.23Å; D597-T599 VanDerWaalsContact O-N 3.08Å; D597-F682 HydrophobicContact CB-CE2 4.31Å; D597-F682 HydrophobicContact CB-CZ 4.06Å; D597-F682 WeakPolarHBondContact O-CE2 3.4Å
598	F	89	Confident	93	Very high	107 Å²	107	56.9 Å²	56.9	47%	0.469	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	8.9	177.6	-48.3	-78.5	0	0	0	116.7	Y596 L668 S672 L679	Y596-F598 PolarHBondContact O-N 3.38Å; F598-L668 HydrophobicContact CD2-CD1 4.4Å; F598-L668 HydrophobicContact CE2-CD1 4.41Å; F598-L668 HydrophobicContact CE2-CD2 3.85Å; F598-L668 HydrophobicContact CE2-CG 4.35Å; F598-L668 HydrophobicContact CZ-CD2 3.81Å; F598-L668 HydrophobicContact CZ-CG 4.44Å; F598-S672 WeakPolarHBondContact CB-OG 3.08Å; F598-L679 HydrophobicContact CD2-CD1 4.18Å
599	T	90.4	Very high	93	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.018	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-14.9	-178.7	60.9	0	0	0	0	114.3	Y593 Y596 D597 L601 K602 A603 V678 F682	Y593-T599 WeakPolarHBondContact O-CB 3.29Å; Y593-T599 PolarHBondContact O-OG1 3.37Å; Y596-T599 PolarHBondContact O-N 2.9Å; Y596-T599 PolarHBondContact O-OG1 2.95Å; D597-T599 PolarHBondContact O-N 3.23Å; D597-T599 VanDerWaalsContact O-N 3.08Å; T599-L601 PolarHBondContact O-N 3.44Å; T599-L601 VanDerWaalsContact O-N 3.16Å; T599-K602 PolarHBondContact O-N 3.32Å; T599-A603 WeakPolarHBondContact O-CB 3.15Å; T599-A603 PolarHBondContact O-N 2.89Å; T599-V678 HydrophobicContact CG2-CB 4.25Å; T599-V678 HydrophobicContact CG2-CG1 3.95Å; T599-F682 HydrophobicContact CG2-CD2 4.01Å
600	S	86	Confident	93	Very high	71 Å²	71	54.9 Å²	54.9	50%	0.497	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-44.5	-166	60.7	0	0	0	0	115.1
601	L	83.4	Confident	93.1	Very high	148 Å²	148	55.9 Å²	55.9	78%	0.775	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-28.2	177.7	-65.7	178.1	0	0	0	113.1	T599	T599-L601 PolarHBondContact O-N 3.44Å; T599-L601 VanDerWaalsContact O-N 3.16Å
602	K	91	Very high	93.2	Very high	10 Å²	10	49.7 Å²	49.7	4%	0.043	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-32.4	-167.7	-162	-160.5	-166.2	161.5	0	112.6	T599 F604 Q605 T608 T671 S672 Q675 H677	T599-K602 PolarHBondContact O-N 3.32Å; K602-F604 PolarHBondContact O-N 2.98Å; K602-Q605 WeakPolarHBondContact O-CB 3.4Å; K602-Q605 PolarHBondContact O-N 2.92Å; K602-T608 HydrophobicContact CD-CG2 4.14Å; K602-T608 WeakPolarHBondContact CE-OG1 3.32Å; K602-T608 HydrophobicContact CG-CG2 4.13Å; K602-T608 VanDerWaalsContact CG-OG1 3.26Å; K602-T608 WeakPolarHBondContact CG-OG1 3.14Å; K602-T608 VanDerWaalsContact O-CB 3.27Å; K602-T608 WeakPolarHBondContact O-CB 3.03Å; K602-T671 PolarHBondContact NZ-O 2.89Å; K602-S672 WeakPolarHBondContact CD-O 3.49Å; K602-S672 WeakPolarHBondContact CE-O 3.27Å; K602-S672 PolarHBondContact NZ-O 3.25Å; K602-Q675 WeakPolarHBondContact CE-O 3.44Å; K602-Q675 PolarHBondContact NZ-O 3.4Å; K602-H677 PolarHBondContact NZ-O 2.91Å
603	A	93.5	Very high	93.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-20.1	-179	0	0	0	0	0	113.9	S590 T599 Q609	S590-A603 VanDerWaalsContact CB-O 3.22Å; S590-A603 WeakPolarHBondContact CB-O 3.39Å; S590-A603 WeakPolarHBondContact O-CB 3.22Å; S590-A603 PolarHBondContact OG-O 2.87Å; T599-A603 WeakPolarHBondContact O-CB 3.15Å; T599-A603 PolarHBondContact O-N 2.89Å; A603-Q609 WeakPolarHBondContact O-CG 3.42Å
604	F	93.5	Very high	93.4	Very high	83 Å²	83	48.5 Å²	48.5	36%	0.364	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-4	176.6	-63.8	-81.5	0	0	0	114.3	Y591 K602	Y591-F604 HydrophobicContact CD1-CE1 4.25Å; Y591-F604 AromaticContact CD1-CZ 3.64Å; Y591-F604 HydrophobicContact CD1-CZ 3.64Å; Y591-F604 HydrophobicContact CD2-CE1 4.37Å; Y591-F604 HydrophobicContact CE1-CE1 4.17Å; Y591-F604 AromaticContact CE1-CZ 3.73Å; Y591-F604 HydrophobicContact CE1-CZ 3.73Å; Y591-F604 HydrophobicContact CE2-CE1 4.3Å; Y591-F604 HydrophobicContact CG-CE1 4.33Å; Y591-F604 HydrophobicContact CG-CZ 4.04Å; K602-F604 PolarHBondContact O-N 2.98Å
605	Q	94.5	Very high	93.6	Very high	88 Å²	88	47.4 Å²	47.4	41%	0.411	24%	0.24	S	C	.	.	S	Bend	trans	-74.2	138	172.9	-62.7	179.8	16	0	0	109.8	K602 S607 T608 Q609	K602-Q605 WeakPolarHBondContact O-CB 3.4Å; K602-Q605 PolarHBondContact O-N 2.92Å; Q605-S607 VanDerWaalsContact C-N 3.28Å; Q605-S607 PolarHBondContact O-N 3.06Å; Q605-T608 PolarHBondContact O-N 3.34Å; Q605-T608 VanDerWaalsContact O-N 3.08Å; Q605-Q609 WeakPolarHBondContact O-CG 3.24Å; Q605-Q609 PolarHBondContact O-N 3.33Å
606	V	94.3	Very high	93.7	Very high	51 Å²	51	39.8 Å²	39.8	31%	0.309	21%	0.208	S	C	.	.	H	α-helix	trans	-55.9	-43	-176.1	176.2	0	0	0	0	112	I558 T608 Q609 E610	I558-V606 HydrophobicContact CD1-CG1 4.5Å; I558-V606 HydrophobicContact CG2-CG1 4.11Å; V606-T608 VanDerWaalsContact C-N 3.34Å; V606-T608 PolarHBondContact O-N 3.03Å; V606-Q609 PolarHBondContact O-N 3.21Å; V606-E610 WeakPolarHBondContact O-CG 3.28Å; V606-E610 PolarHBondContact O-N 2.98Å
607	S	95.2	Very high	93.9	Very high	53 Å²	53	38 Å²	38	37%	0.371	20%	0.201	S	C	.	.	H	α-helix	trans	-57.8	-45.1	177.9	47.7	0	0	0	0	111.9	Q605 E610 E611	Q605-S607 VanDerWaalsContact C-N 3.28Å; Q605-S607 PolarHBondContact O-N 3.06Å; S607-E610 WeakPolarHBondContact O-CB 3.15Å; S607-E610 PolarHBondContact O-N 2.63Å; S607-E611 WeakPolarHBondContact O-CG 3.32Å; S607-E611 PolarHBondContact O-N 3.02Å
608	T	95.8	Very high	94.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-76.1	-31.6	178.9	-59.2	0	0	0	0	112.8	K602 Q605 V606 E610 E611 I612 P676 V678	K602-T608 HydrophobicContact CD-CG2 4.14Å; K602-T608 WeakPolarHBondContact CE-OG1 3.32Å; K602-T608 HydrophobicContact CG-CG2 4.13Å; K602-T608 VanDerWaalsContact CG-OG1 3.26Å; K602-T608 WeakPolarHBondContact CG-OG1 3.14Å; K602-T608 VanDerWaalsContact O-CB 3.27Å; K602-T608 WeakPolarHBondContact O-CB 3.03Å; Q605-T608 PolarHBondContact O-N 3.34Å; Q605-T608 VanDerWaalsContact O-N 3.08Å; V606-T608 VanDerWaalsContact C-N 3.34Å; V606-T608 PolarHBondContact O-N 3.03Å; T608-E610 VanDerWaalsContact C-N 3.28Å; T608-E610 PolarHBondContact O-N 3.27Å; T608-E611 PolarHBondContact O-N 3Å; T608-I612 HydrophobicContact CG2-CD1 3.86Å; T608-I612 HydrophobicContact CG2-CG1 4.34Å; T608-I612 WeakPolarHBondContact O-CB 3.36Å; T608-I612 VanDerWaalsContact O-CG1 3.28Å; T608-I612 WeakPolarHBondContact O-CG1 3.42Å; T608-I612 PolarHBondContact O-N 3.48Å; T608-P676 WeakPolarHBondContact CA-O 3.5Å; T608-P676 WeakPolarHBondContact CB-O 3.42Å; T608-P676 WeakPolarHBondContact CG2-O 3.23Å; T608-P676 PolarHBondContact OG1-O 2.98Å; T608-V678 HydrophobicContact CG2-CG1 3.84Å
609	Q	95.8	Very high	94.7	Very high	5 Å²	5	27.5 Å²	27.5	2%	0.023	15%	0.15	C	C	.	.	H	α-helix	trans	-60.5	-40.2	171	-71.8	-173.4	-49.2	0	0	111.4	I558 Q583 S590 A603 Q605 V606 L613	I558-Q609 HydrophobicContact CD1-CB 3.79Å; Q583-Q609 VanDerWaalsContact NE2-OE1 3.15Å; S590-Q609 WeakPolarHBondContact OG-CG 3.39Å; S590-Q609 PolarHBondContact OG-NE2 3.12Å; A603-Q609 WeakPolarHBondContact O-CG 3.42Å; Q605-Q609 WeakPolarHBondContact O-CG 3.24Å; Q605-Q609 PolarHBondContact O-N 3.33Å; V606-Q609 PolarHBondContact O-N 3.21Å; Q609-L613 WeakPolarHBondContact O-CB 3.41Å; Q609-L613 VanDerWaalsContact O-CG 3.23Å; Q609-L613 WeakPolarHBondContact O-CG 3.39Å; Q609-L613 PolarHBondContact O-N 3.45Å
610	E	96	Very high	95	Very high	10 Å²	10	29.2 Å²	29.2	5%	0.047	16%	0.157	C	C	.	.	H	α-helix	trans	-60.1	-48	174.5	-75	-79.1	-141.5	0	0	112	G557 I558 E559 V606 S607 T608 I612 L613 A614	G557-E610 WeakPolarHBondContact CA-OE2 3.29Å; I558-E610 VanDerWaalsContact CA-OE1 3.3Å; I558-E610 WeakPolarHBondContact CA-OE1 3.4Å; I558-E610 HydrophobicContact CB-CG 4.08Å; I558-E610 VanDerWaalsContact CB-OE1 3.31Å; I558-E610 WeakPolarHBondContact CB-OE1 3.29Å; I558-E610 HydrophobicContact CD1-CG 4.2Å; I558-E610 HydrophobicContact CG1-CG 4.34Å; I558-E610 PolarHBondContact N-OE1 3.3Å; I558-E610 PolarHBondContact N-OE2 3.31Å; E559-E610 PolarHBondContact N-OE1 3.23Å; V606-E610 WeakPolarHBondContact O-CG 3.28Å; V606-E610 PolarHBondContact O-N 2.98Å; S607-E610 WeakPolarHBondContact O-CB 3.15Å; S607-E610 PolarHBondContact O-N 2.63Å; T608-E610 VanDerWaalsContact C-N 3.28Å; T608-E610 PolarHBondContact O-N 3.27Å; E610-I612 PolarHBondContact O-N 3.2Å; E610-L613 PolarHBondContact O-N 3.26Å; E610-A614 WeakPolarHBondContact O-CB 3.49Å; E610-A614 PolarHBondContact O-N 2.75Å
611	E	97.5	Very high	95.6	Very high	22 Å²	22	26.3 Å²	26.3	10%	0.103	14%	0.137	C	C	.	.	H	α-helix	trans	-63.2	-44.1	178.9	-57.6	-48.2	150.8	0	0	112.4	H550 H554 S607 T608 L613 A614 D615 P676 H677	H550-E611 IonicContact CE1-OE2 2.58Å; H550-E611 PolarHBondContact CE1-OE2 3.38Å; H550-E611 IonicContact NE2-OE2 3.2Å; H550-E611 PolarHBondContact NE2-OE2 3.05Å; H554-E611 IonicContact CE1-OE1 2.74Å; H554-E611 IonicContact CE1-OE2 2.65Å; H554-E611 PolarHBondContact CE1-OE2 2.59Å; H554-E611 VanDerWaalsContact CE1-OE2 3.28Å; H554-E611 IonicContact NE2-OE2 3.12Å; H554-E611 PolarHBondContact NE2-OE2 2.86Å; S607-E611 WeakPolarHBondContact O-CG 3.32Å; S607-E611 PolarHBondContact O-N 3.02Å; T608-E611 PolarHBondContact O-N 3Å; E611-L613 VanDerWaalsContact C-N 3.31Å; E611-L613 PolarHBondContact O-N 3.09Å; E611-A614 PolarHBondContact O-N 2.6Å; E611-D615 WeakPolarHBondContact O-CB 3.3Å; E611-D615 VanDerWaalsContact O-CG 3.28Å; E611-D615 PolarHBondContact O-N 3.34Å; E611-P676 HydrophobicContact CG-CB 3.89Å; E611-P676 HydrophobicContact CG-CG 4.31Å; E611-H677 IonicContact OE2-CD2 3.79Å; E611-H677 PolarHBondContact OE2-CD2 2.93Å; E611-H677 IonicContact OE2-CE1 3.4Å; E611-H677 IonicContact OE2-NE2 2.71Å; E611-H677 PolarHBondContact OE2-NE2 3.49Å; E611-H677 VanDerWaalsContact OE2-NE2 3.1Å
612	I	97.1	Very high	96.3	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.015	10%	0.1	C	C	.	.	H	α-helix	trans	-61.7	-42	178	-70.3	167.9	0	0	0	110.7	L589 Y593 T608 E610 N616 V678	L589-I612 HydrophobicContact CB-CG2 3.74Å; L589-I612 HydrophobicContact CD1-CG2 4.07Å; L589-I612 HydrophobicContact CG-CG2 4.37Å; Y593-I612 HydrophobicContact CD1-CD1 3.72Å; Y593-I612 HydrophobicContact CD1-CG1 3.93Å; Y593-I612 HydrophobicContact CD2-CD1 4.27Å; Y593-I612 HydrophobicContact CD2-CG2 3.96Å; Y593-I612 HydrophobicContact CE1-CD1 4.21Å; Y593-I612 HydrophobicContact CE1-CG1 3.88Å; Y593-I612 HydrophobicContact CE1-CG2 4.36Å; Y593-I612 HydrophobicContact CE2-CG2 3.59Å; Y593-I612 HydrophobicContact CG-CD1 3.73Å; Y593-I612 HydrophobicContact CG-CG1 4.27Å; Y593-I612 HydrophobicContact CG-CG2 4.45Å; T608-I612 HydrophobicContact CG2-CD1 3.86Å; T608-I612 HydrophobicContact CG2-CG1 4.34Å; T608-I612 WeakPolarHBondContact O-CB 3.36Å; T608-I612 VanDerWaalsContact O-CG1 3.28Å; T608-I612 WeakPolarHBondContact O-CG1 3.42Å; T608-I612 PolarHBondContact O-N 3.48Å; E610-I612 PolarHBondContact O-N 3.2Å; I612-N616 WeakPolarHBondContact O-CB 3.39Å; I612-N616 PolarHBondContact O-N 3.17Å; I612-N616 VanDerWaalsContact O-N 3.09Å; I612-N616 PolarHBondContact O-ND2 3.36Å; I612-V678 HydrophobicContact CD1-CG1 4.4Å
613	L	96.8	Very high	96.7	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.021	10%	0.101	C	C	.	.	H	α-helix	trans	-64	-45.4	174.8	-76.1	173.1	0	0	0	111.4	I558 I582 A586 L589 Q609 E610 E611 D615 N617 V714	I558-L613 HydrophobicContact CD1-CD1 3.96Å; I558-L613 HydrophobicContact CG1-CD1 3.88Å; I582-L613 HydrophobicContact CG2-CD1 3.59Å; A586-L613 HydrophobicContact CB-CD1 3.91Å; A586-L613 HydrophobicContact CB-CD2 3.91Å; A586-L613 HydrophobicContact CB-CG 3.93Å; L589-L613 HydrophobicContact CD1-CD2 4.04Å; Q609-L613 WeakPolarHBondContact O-CB 3.41Å; Q609-L613 VanDerWaalsContact O-CG 3.23Å; Q609-L613 WeakPolarHBondContact O-CG 3.39Å; Q609-L613 PolarHBondContact O-N 3.45Å; E610-L613 PolarHBondContact O-N 3.26Å; E611-L613 VanDerWaalsContact C-N 3.31Å; E611-L613 PolarHBondContact O-N 3.09Å; L613-D615 VanDerWaalsContact C-N 3.34Å; L613-D615 PolarHBondContact O-N 3.28Å; L613-N617 VanDerWaalsContact O-CB 3.32Å; L613-N617 WeakPolarHBondContact O-CB 3.39Å; L613-N617 PolarHBondContact O-N 3.18Å; L613-N617 PolarHBondContact O-ND2 3.18Å; L613-V714 HydrophobicContact CD2-CB 4.08Å; L613-V714 HydrophobicContact CD2-CG1 3.79Å; L613-V714 HydrophobicContact CD2-CG2 3.87Å
614	A	97.8	Very high	96.9	Very high	3 Å²	3	24 Å²	24	3%	0.025	12%	0.119	C	C	.	.	H	α-helix	trans	-62.5	-42.3	179.7	0	0	0	0	0	111.4	H550 M553 E610 E611 G618	H550-A614 WeakPolarHBondContact ND1-CB 3.4Å; M553-A614 HydrophobicContact CB-CB 4.12Å; E610-A614 WeakPolarHBondContact O-CB 3.49Å; E610-A614 PolarHBondContact O-N 2.75Å; E611-A614 PolarHBondContact O-N 2.6Å; A614-G618 WeakPolarHBondContact O-CA 3.49Å; A614-G618 PolarHBondContact O-N 2.9Å
615	D	98.3	Very high	97.1	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-60.4	-53.8	176.3	-77	-5.6	0	0	0	112.4	W546 H550 E611 L613 L619 R683 V687	W546-D615 VanDerWaalsContact CZ2-OD1 3.32Å; W546-D615 WeakPolarHBondContact CZ2-OD1 3.46Å; W546-D615 PolarHBondContact NE1-O 3.05Å; H550-D615 IonicContact CE1-OD1 2.78Å; H550-D615 PolarHBondContact CE1-OD1 3.36Å; H550-D615 PolarHBondContact ND1-N 3.19Å; H550-D615 IonicContact ND1-OD1 2.67Å; H550-D615 PolarHBondContact ND1-OD1 3.33Å; E611-D615 WeakPolarHBondContact O-CB 3.3Å; E611-D615 VanDerWaalsContact O-CG 3.28Å; E611-D615 PolarHBondContact O-N 3.34Å; L613-D615 VanDerWaalsContact C-N 3.34Å; L613-D615 PolarHBondContact O-N 3.28Å; D615-L619 PolarHBondContact O-N 3.24Å; D615-L619 VanDerWaalsContact O-N 3.08Å; D615-R683 IonicContact OD1-CZ 3.73Å; D615-R683 IonicContact OD1-NE 2.74Å; D615-R683 IonicContact OD1-NH2 2.63Å; D615-R683 PolarHBondContact OD1-NH2 2.94Å; D615-R683 WeakPolarHBondContact OD2-CG 3.26Å; D615-R683 IonicContact OD2-CZ 2.98Å; D615-R683 IonicContact OD2-NE 3.75Å; D615-R683 PolarHBondContact OD2-NE 3.48Å; D615-R683 IonicContact OD2-NH2 2.63Å; D615-V687 HydrophobicContact CB-CG2 3.62Å
616	N	97.7	Very high	97.3	Very high	14 Å²	14	15.8 Å²	15.8	8%	0.075	8%	0.082	C	C	.	.	H	α-helix	trans	-66.4	-51.4	-175.4	-81.6	-95.2	0	0	0	111.7	L589 Y593 I612 G618 L619 K620 G686 N690	L589-N616 HydrophobicContact CD1-CB 4.42Å; Y593-N616 PolarHBondContact OH-ND2 3.44Å; Y593-N616 VanDerWaalsContact OH-ND2 3.11Å; I612-N616 WeakPolarHBondContact O-CB 3.39Å; I612-N616 PolarHBondContact O-N 3.17Å; I612-N616 VanDerWaalsContact O-N 3.09Å; I612-N616 PolarHBondContact O-ND2 3.36Å; N616-G618 VanDerWaalsContact C-N 3.35Å; N616-L619 PolarHBondContact O-N 2.95Å; N616-K620 PolarHBondContact O-N 2.94Å; N616-G686 PolarHBondContact OD1-O 3.01Å; N616-N690 PolarHBondContact OD1-ND2 3.26Å
617	N	96.8	Very high	97.4	Very high	9 Å²	9	15.4 Å²	15.4	5%	0.048	8%	0.075	C	C	.	.	H	α-helix	trans	-75.4	-30.9	-176.6	-56.7	-55.1	0	0	0	111.3	M553 L613 K620 A621 W715	M553-N617 HydrophobicContact CG-CB 3.93Å; M553-N617 HydrophobicContact SD-CB 3.59Å; M553-N617 VanDerWaalsContact SD-CB 3.59Å; L613-N617 VanDerWaalsContact O-CB 3.32Å; L613-N617 WeakPolarHBondContact O-CB 3.39Å; L613-N617 PolarHBondContact O-N 3.18Å; L613-N617 PolarHBondContact O-ND2 3.18Å; N617-K620 PolarHBondContact O-N 2.76Å; N617-A621 WeakPolarHBondContact O-CB 3.42Å; N617-A621 PolarHBondContact O-N 3.08Å; N617-W715 HydrophobicContact CB-CB 4.35Å; N617-W715 HydrophobicContact CB-CG 4.21Å; N617-W715 PolarHBondContact ND2-NE1 3.12Å; N617-W715 WeakPolarHBondContact OD1-CB 3Å
618	G	98.2	Very high	97.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-59.7	-48	173.1	0	0	0	0	0	111.5	S549 A614 N616 A621 S622	S549-G618 WeakPolarHBondContact CB-O 3.16Å; S549-G618 WeakPolarHBondContact OG-CA 3.4Å; S549-G618 PolarHBondContact OG-O 3.15Å; A614-G618 WeakPolarHBondContact O-CA 3.49Å; A614-G618 PolarHBondContact O-N 2.9Å; N616-G618 VanDerWaalsContact C-N 3.35Å; G618-A621 PolarHBondContact O-N 3.4Å; G618-S622 WeakPolarHBondContact O-CB 3.13Å; G618-S622 PolarHBondContact O-N 3.21Å
619	L	98.6	Very high	97.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.3	-43.8	178	-170.1	70.5	0	0	0	111.8	W546 D615 N616 A621 S622 Y623 F651 F652 F655 V687 L688	W546-L619 HydrophobicContact CB-CD1 4.28Å; W546-L619 VanDerWaalsContact CD1-CA 3.49Å; W546-L619 HydrophobicContact CG-CD1 4.15Å; D615-L619 PolarHBondContact O-N 3.24Å; D615-L619 VanDerWaalsContact O-N 3.08Å; N616-L619 PolarHBondContact O-N 2.95Å; L619-A621 PolarHBondContact O-N 3.11Å; L619-S622 PolarHBondContact O-N 2.6Å; L619-Y623 WeakPolarHBondContact O-CB 3.28Å; L619-Y623 PolarHBondContact O-N 3.22Å; L619-F651 HydrophobicContact CD1-CE1 3.63Å; L619-F651 HydrophobicContact CD1-CZ 3.73Å; L619-F651 HydrophobicContact CG-CE1 4.17Å; L619-F651 HydrophobicContact CG-CZ 4.42Å; L619-F652 HydrophobicContact CD2-CD1 4.22Å; L619-F652 HydrophobicContact CD2-CE1 4.15Å; L619-F655 HydrophobicContact CD1-CB 3.86Å; L619-F655 HydrophobicContact CD1-CD1 4Å; L619-F655 HydrophobicContact CD1-CD2 3.57Å; L619-F655 HydrophobicContact CD1-CE1 4.49Å; L619-F655 HydrophobicContact CD1-CE2 4.11Å; L619-F655 HydrophobicContact CD1-CG 3.5Å; L619-F655 VanDerWaalsContact CD1-CG 3.5Å; L619-F655 HydrophobicContact CD2-CD1 3.86Å; L619-F655 HydrophobicContact CD2-CE1 3.87Å; L619-F655 HydrophobicContact CD2-CG 4.23Å; L619-F655 HydrophobicContact CD2-CZ 4.25Å; L619-V687 HydrophobicContact CB-CG1 3.66Å; L619-V687 HydrophobicContact CD2-CG1 3.28Å; L619-V687 HydrophobicContact CG-CG1 4.07Å; L619-L688 HydrophobicContact CD2-CD2 3.84Å
620	K	97.5	Very high	97.4	Very high	39 Å²	39	17.2 Å²	17.2	17%	0.17	8%	0.075	C	C	.	.	H	α-helix	trans	-56.7	-50.5	176.7	-170.6	178.5	-167.6	-179.3	0	111	N616 N617 Y623 Y624 D713 W715	N616-K620 PolarHBondContact O-N 2.94Å; N617-K620 PolarHBondContact O-N 2.76Å; K620-Y623 PolarHBondContact O-N 2.96Å; K620-Y624 HydrophobicContact CD-CE2 4.32Å; K620-Y624 HydrophobicContact CG-CD2 3.93Å; K620-Y624 HydrophobicContact CG-CE2 3.59Å; K620-Y624 WeakPolarHBondContact O-CD2 3.32Å; K620-Y624 PolarHBondContact O-N 2.97Å; K620-Y624 VanDerWaalsContact O-N 3.09Å; K620-D713 IonicContact NZ-OD1 3.19Å; K620-D713 PolarHBondContact NZ-OD1 3.19Å; K620-D713 IonicContact NZ-OD2 3.13Å; K620-D713 PolarHBondContact NZ-OD2 3.48Å; K620-W715 PolarHBondContact NZ-O 2.93Å
621	A	98.3	Very high	97.1	Very high	9 Å²	9	19.9 Å²	19.9	7%	0.074	9%	0.089	C	C	.	.	H	α-helix	trans	-65.4	-39.1	178.9	0	0	0	0	0	112.6	I417 S549 M553 N617 G618 L619 T625	I417-A621 HydrophobicContact CD1-CB 4.32Å; I417-A621 HydrophobicContact CG1-CB 3.76Å; S549-A621 WeakPolarHBondContact OG-CB 3.26Å; M553-A621 HydrophobicContact CE-CB 4.36Å; N617-A621 WeakPolarHBondContact O-CB 3.42Å; N617-A621 PolarHBondContact O-N 3.08Å; G618-A621 PolarHBondContact O-N 3.4Å; L619-A621 PolarHBondContact O-N 3.11Å; A621-T625 PolarHBondContact O-N 3.37Å; A621-T625 PolarHBondContact O-OG1 3.47Å
622	S	98.7	Very high	96.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.9	-46.3	176.2	-168.8	0	0	0	0	111.7	Y541 G545 W546 G618 L619 Y624 T625 Y626	Y541-S622 PolarHBondContact O-OG 2.98Å; G545-S622 PolarHBondContact O-OG 3.36Å; W546-S622 PolarHBondContact N-OG 3.29Å; G618-S622 WeakPolarHBondContact O-CB 3.13Å; G618-S622 PolarHBondContact O-N 3.21Å; L619-S622 PolarHBondContact O-N 2.6Å; S622-Y624 PolarHBondContact O-N 3.27Å; S622-T625 WeakPolarHBondContact O-CB 3.41Å; S622-T625 PolarHBondContact O-N 3.47Å; S622-T625 VanDerWaalsContact O-N 3.1Å; S622-Y626 PolarHBondContact O-N 3.03Å
623	Y	98.6	Very high	96.5	Very high	15 Å²	15	30.7 Å²	30.7	6%	0.059	14%	0.136	C	C	.	.	H	α-helix	trans	-58	-46.9	177.6	177.2	-84.2	0	0	0	111.9	L619 K620 T625 Y626 R627 D648 F651 F652 R693	L619-Y623 WeakPolarHBondContact O-CB 3.28Å; L619-Y623 PolarHBondContact O-N 3.22Å; K620-Y623 PolarHBondContact O-N 2.96Å; Y623-T625 VanDerWaalsContact C-N 3.28Å; Y623-T625 PolarHBondContact O-N 3.34Å; Y623-Y626 HydrophobicContact CD2-CD1 4.15Å; Y623-Y626 HydrophobicContact CD2-CE1 4.38Å; Y623-Y626 HydrophobicContact CE2-CD1 4.31Å; Y623-Y626 HydrophobicContact CE2-CE1 4.13Å; Y623-Y626 WeakPolarHBondContact O-CB 3.21Å; Y623-Y626 PolarHBondContact O-N 3.17Å; Y623-R627 HydrophobicContact CD1-CG 4.03Å; Y623-R627 HydrophobicContact CE1-CB 4.44Å; Y623-R627 HydrophobicContact CE1-CG 3.34Å; Y623-R627 HydrophobicContact CE2-CG 4.2Å; Y623-R627 VanDerWaalsContact CZ-CG 3.48Å; Y623-R627 PolarHBondContact O-N 2.79Å; Y623-D648 HydrophobicContact CE2-CB 4.38Å; Y623-D648 PolarHBondContact OH-OD2 2.93Å; Y623-F651 VanDerWaalsContact CA-CZ 3.42Å; Y623-F651 AromaticContact CD2-CD1 3.69Å; Y623-F651 HydrophobicContact CD2-CD1 3.69Å; Y623-F651 AromaticContact CD2-CE1 3.72Å; Y623-F651 HydrophobicContact CD2-CE1 3.72Å; Y623-F651 HydrophobicContact CD2-CG 4.19Å; Y623-F651 HydrophobicContact CD2-CZ 4.21Å; Y623-F651 HydrophobicContact CG-CE1 4.21Å; Y623-F651 HydrophobicContact CG-CZ 4.37Å; Y623-F652 HydrophobicContact CD2-CE1 4.27Å; Y623-F652 HydrophobicContact CD2-CE2 4.19Å; Y623-F652 AromaticContact CD2-CZ 3.66Å; Y623-F652 HydrophobicContact CD2-CZ 3.66Å; Y623-F652 AromaticContact CE2-CE2 3.95Å; Y623-F652 HydrophobicContact CE2-CE2 3.95Å; Y623-F652 AromaticContact CE2-CZ 3.79Å; Y623-F652 HydrophobicContact CE2-CZ 3.79Å; Y623-R693 VanDerWaalsContact CD1-CD 3.47Å; Y623-R693 HydrophobicContact CE1-CB 4.29Å; Y623-R693 HydrophobicContact CE1-CG 4.23Å; Y623-R693 HydrophobicContact CE2-CB 4.38Å; Y623-R693 VanDerWaalsContact CZ-CD 3.48Å
624	Y	98.1	Very high	96	Very high	94 Å²	94	32 Å²	32	37%	0.369	15%	0.146	S	C	.	.	H	α-helix	trans	-65.4	-33.1	178.1	-78.6	-61	0	0	0	112.7	K620 S622 R628 R693	K620-Y624 HydrophobicContact CD-CE2 4.32Å; K620-Y624 HydrophobicContact CG-CD2 3.93Å; K620-Y624 HydrophobicContact CG-CE2 3.59Å; K620-Y624 WeakPolarHBondContact O-CD2 3.32Å; K620-Y624 PolarHBondContact O-N 2.97Å; K620-Y624 VanDerWaalsContact O-N 3.09Å; S622-Y624 PolarHBondContact O-N 3.27Å; Y624-R628 VanDerWaalsContact O-CB 3.27Å; Y624-R628 WeakPolarHBondContact O-CB 3.34Å; Y624-R628 PolarHBondContact O-N 3.41Å; Y624-R693 VanDerWaalsContact CE1-CZ 3.46Å; Y624-R693 VanDerWaalsContact CZ-NH1 3.26Å; Y624-R693 VanDerWaalsContact CZ-NH2 3.34Å; Y624-R693 PolarHBondContact OH-NH1 3.47Å; Y624-R693 VanDerWaalsContact OH-NH1 3.08Å; Y624-R693 PolarHBondContact OH-NH2 2.93Å
625	T	98.7	Very high	95.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.6	-49.6	174	-53.4	0	0	0	0	110.4	E412 I413 T416 Y541 A621 S622 Y623 R627 R628 L629	E412-T625 HydrophobicContact CB-CG2 3.73Å; I413-T625 HydrophobicContact CG1-CG2 4.02Å; T416-T625 WeakPolarHBondContact CB-OG1 3.47Å; T416-T625 WeakPolarHBondContact OG1-CA 3.39Å; T416-T625 WeakPolarHBondContact OG1-CB 3.21Å; T416-T625 PolarHBondContact OG1-OG1 3.4Å; Y541-T625 HydrophobicContact CD1-CG2 4.07Å; Y541-T625 HydrophobicContact CE1-CG2 3.43Å; Y541-T625 VanDerWaalsContact CE1-CG2 3.43Å; A621-T625 PolarHBondContact O-N 3.37Å; A621-T625 PolarHBondContact O-OG1 3.47Å; S622-T625 WeakPolarHBondContact O-CB 3.41Å; S622-T625 PolarHBondContact O-N 3.47Å; S622-T625 VanDerWaalsContact O-N 3.1Å; Y623-T625 VanDerWaalsContact C-N 3.28Å; Y623-T625 PolarHBondContact O-N 3.34Å; T625-R627 PolarHBondContact O-N 3Å; T625-R628 PolarHBondContact O-N 3.43Å; T625-L629 HydrophobicContact CG2-CD1 4.1Å; T625-L629 WeakPolarHBondContact O-CG 3.49Å; T625-L629 PolarHBondContact O-N 3.09Å
626	Y	98	Very high	94.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-53.6	-53.6	174.6	148	-112.5	0	0	0	112.2	L537 A538 S622 Y623 R628 L629 L630 S647 D648 F651	L537-Y626 HydrophobicContact CB-CD2 3.96Å; L537-Y626 HydrophobicContact CB-CE2 4.38Å; A538-Y626 HydrophobicContact CB-CD2 4.42Å; A538-Y626 HydrophobicContact CB-CE2 3.8Å; S622-Y626 PolarHBondContact O-N 3.03Å; Y623-Y626 HydrophobicContact CD2-CD1 4.15Å; Y623-Y626 HydrophobicContact CD2-CE1 4.38Å; Y623-Y626 HydrophobicContact CE2-CD1 4.31Å; Y623-Y626 HydrophobicContact CE2-CE1 4.13Å; Y623-Y626 WeakPolarHBondContact O-CB 3.21Å; Y623-Y626 PolarHBondContact O-N 3.17Å; Y626-R628 VanDerWaalsContact C-N 3.33Å; Y626-R628 PolarHBondContact O-N 2.95Å; Y626-L629 PolarHBondContact O-N 3.46Å; Y626-L630 HydrophobicContact CE2-CB 4.35Å; Y626-L630 HydrophobicContact CE2-CD2 3.85Å; Y626-L630 WeakPolarHBondContact O-CB 3.39Å; Y626-L630 PolarHBondContact O-N 3.21Å; Y626-S647 WeakPolarHBondContact OH-CB 3.34Å; Y626-S647 PolarHBondContact OH-OG 3.21Å; Y626-D648 WeakPolarHBondContact CE1-OD1 3.36Å; Y626-D648 PolarHBondContact OH-N 3.08Å; Y626-D648 PolarHBondContact OH-OD1 3.34Å; Y626-F651 HydrophobicContact CD1-CB 4.43Å; Y626-F651 AromaticContact CD1-CD2 3.77Å; Y626-F651 HydrophobicContact CD1-CD2 3.77Å; Y626-F651 HydrophobicContact CD1-CE2 4.34Å; Y626-F651 HydrophobicContact CD1-CG 4.18Å; Y626-F651 HydrophobicContact CE1-CB 4.22Å; Y626-F651 HydrophobicContact CE1-CD2 4.39Å; Y626-F651 HydrophobicContact CE1-CG 4.41Å; Y626-F651 HydrophobicContact CG-CD2 4.03Å
627	R	96.2	Very high	93.1	Very high	43 Å²	43	48.8 Å²	48.8	16%	0.162	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-38.8	179.5	-70.4	-57.1	-56.6	-170.9	7.8	112.4	Y623 T625 N631 D648	Y623-R627 HydrophobicContact CD1-CG 4.03Å; Y623-R627 HydrophobicContact CE1-CB 4.44Å; Y623-R627 HydrophobicContact CE1-CG 3.34Å; Y623-R627 HydrophobicContact CE2-CG 4.2Å; Y623-R627 VanDerWaalsContact CZ-CG 3.48Å; Y623-R627 PolarHBondContact O-N 2.79Å; T625-R627 PolarHBondContact O-N 3Å; R627-N631 WeakPolarHBondContact O-CB 3.27Å; R627-N631 PolarHBondContact O-N 2.66Å; R627-N631 PolarHBondContact O-ND2 2.62Å; R627-D648 WeakPolarHBondContact CD-OD1 3.37Å; R627-D648 IonicContact CZ-OD1 2.77Å; R627-D648 IonicContact NE-OD1 2.82Å; R627-D648 IonicContact NH1-OD1 2.68Å; R627-D648 PolarHBondContact NH1-OD1 3.33Å; R627-D648 IonicContact NH1-OD2 3.74Å
628	R	95.8	Very high	92	Very high	69 Å²	69	53.7 Å²	53.7	26%	0.26	27%	0.274	S	S	.	.	H	α-helix	trans	-61.5	-46.1	176.2	-177	-176.1	72.2	-147.2	-1.4	111	E412 T416 Y624 T625 Y626 K632	E412-R628 PolarHBondContact O-NH2 2.91Å; E412-R628 IonicContact OE2-CZ 3.75Å; E412-R628 IonicContact OE2-NE 2.79Å; E412-R628 IonicContact OE2-NH2 2.97Å; E412-R628 PolarHBondContact OE2-NH2 3.39Å; T416-R628 VanDerWaalsContact N-NH1 3.16Å; T416-R628 VanDerWaalsContact OG1-CZ 3.29Å; T416-R628 PolarHBondContact OG1-NH1 3.31Å; T416-R628 PolarHBondContact OG1-NH2 3.45Å; Y624-R628 VanDerWaalsContact O-CB 3.27Å; Y624-R628 WeakPolarHBondContact O-CB 3.34Å; Y624-R628 PolarHBondContact O-N 3.41Å; T625-R628 PolarHBondContact O-N 3.43Å; Y626-R628 VanDerWaalsContact C-N 3.33Å; Y626-R628 PolarHBondContact O-N 2.95Å; R628-K632 WeakPolarHBondContact O-CB 3.45Å; R628-K632 PolarHBondContact O-N 3.48Å
629	L	96.6	Very high	90.8	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-67.7	-43	180	-72.3	176.6	0	0	0	112	E412 L537 Y541 T625 Y626 N631 K632 F633	E412-L629 HydrophobicContact CB-CD1 4.17Å; E412-L629 HydrophobicContact CG-CD1 4.17Å; E412-L629 HydrophobicContact CG-CD2 4.1Å; E412-L629 WeakPolarHBondContact OE2-CD2 3.46Å; L537-L629 HydrophobicContact CD1-CB 4.23Å; Y541-L629 HydrophobicContact CE1-CD1 4.2Å; Y541-L629 HydrophobicContact CE2-CD1 3.67Å; Y541-L629 WeakPolarHBondContact OH-CD1 3.46Å; T625-L629 HydrophobicContact CG2-CD1 4.1Å; T625-L629 WeakPolarHBondContact O-CG 3.49Å; T625-L629 PolarHBondContact O-N 3.09Å; Y626-L629 PolarHBondContact O-N 3.46Å; L629-N631 VanDerWaalsContact C-N 3.31Å; L629-N631 PolarHBondContact O-N 3.37Å; L629-K632 HydrophobicContact CD2-CD 4.41Å; L629-K632 WeakPolarHBondContact O-CB 3.48Å; L629-K632 PolarHBondContact O-N 3.09Å; L629-K632 VanDerWaalsContact O-N 3.11Å; L629-F633 HydrophobicContact CB-CD2 4.28Å; L629-F633 HydrophobicContact CB-CE2 4.07Å; L629-F633 HydrophobicContact CD2-CE2 4.26Å; L629-F633 WeakPolarHBondContact O-CD2 3.27Å; L629-F633 PolarHBondContact O-N 2.96Å
630	L	93.4	Very high	90	Very high	22 Å²	22	60 Å²	60	12%	0.115	31%	0.305	C	S	.	.	H	α-helix	trans	-58.5	-44.6	176.9	-172	64.5	0	0	0	111.6	L537 Y626 S634	L537-L630 HydrophobicContact CD1-CD1 4.37Å; Y626-L630 HydrophobicContact CE2-CB 4.35Å; Y626-L630 HydrophobicContact CE2-CD2 3.85Å; Y626-L630 WeakPolarHBondContact O-CB 3.39Å; Y626-L630 PolarHBondContact O-N 3.21Å; L630-S634 WeakPolarHBondContact O-CB 3.28Å; L630-S634 PolarHBondContact O-N 3.39Å; L630-S634 PolarHBondContact O-OG 3.36Å
631	N	91.2	Very high	89.3	Confident	66 Å²	66	62.9 Å²	62.9	35%	0.353	32%	0.319	S	S	.	.	H	α-helix	trans	-63.1	-42.9	174.3	-69.7	-9.4	0	0	0	111.7	R627 L629 S634 N635 N636	R627-N631 WeakPolarHBondContact O-CB 3.27Å; R627-N631 PolarHBondContact O-N 2.66Å; R627-N631 PolarHBondContact O-ND2 2.62Å; L629-N631 VanDerWaalsContact C-N 3.31Å; L629-N631 PolarHBondContact O-N 3.37Å; N631-S634 PolarHBondContact O-N 2.66Å; N631-N635 PolarHBondContact O-N 2.97Å; N631-N636 PolarHBondContact O-N 3.42Å
632	K	92.1	Very high	88.5	Confident	119 Å²	119	68.8 Å²	68.8	52%	0.517	35%	0.345	S	S	.	.	H	α-helix	trans	-60.5	-49.1	177.8	-178.3	-175.8	176.7	-174.2	0	111.8	R628 L629 S634 N635	R628-K632 WeakPolarHBondContact O-CB 3.45Å; R628-K632 PolarHBondContact O-N 3.48Å; L629-K632 HydrophobicContact CD2-CD 4.41Å; L629-K632 WeakPolarHBondContact O-CB 3.48Å; L629-K632 PolarHBondContact O-N 3.09Å; L629-K632 VanDerWaalsContact O-N 3.11Å; K632-S634 VanDerWaalsContact C-N 3.3Å; K632-S634 PolarHBondContact O-N 3.39Å; K632-N635 PolarHBondContact O-N 3.12Å; K632-N635 VanDerWaalsContact O-N 3.15Å
633	F	89.8	Confident	87.7	Confident	134 Å²	134	74.8 Å²	74.8	59%	0.588	37%	0.373	S	S	*	.	H	α-helix	trans	-72.4	-23.6	-179.6	-66	-57.9	0	0	0	113.3	L537 L629 N635	L537-F633 HydrophobicContact CD1-CD2 3.62Å; L537-F633 HydrophobicContact CD1-CE2 3.94Å; L537-F633 HydrophobicContact CD2-CE2 4.36Å; L629-F633 HydrophobicContact CB-CD2 4.28Å; L629-F633 HydrophobicContact CB-CE2 4.07Å; L629-F633 HydrophobicContact CD2-CE2 4.26Å; L629-F633 WeakPolarHBondContact O-CD2 3.27Å; L629-F633 PolarHBondContact O-N 2.96Å; F633-N635 PolarHBondContact O-N 3.34Å
634	S	86.7	Confident	87.2	Confident	32 Å²	32	74.8 Å²	74.8	22%	0.224	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	9.5	171	-53.2	0	0	0	0	112.8	L630 N631 K632 N636 V637 Q639	L630-S634 WeakPolarHBondContact O-CB 3.28Å; L630-S634 PolarHBondContact O-N 3.39Å; L630-S634 PolarHBondContact O-OG 3.36Å; N631-S634 PolarHBondContact O-N 2.66Å; K632-S634 VanDerWaalsContact C-N 3.3Å; K632-S634 PolarHBondContact O-N 3.39Å; S634-N636 PolarHBondContact O-N 3.21Å; S634-N636 VanDerWaalsContact O-N 3.15Å; S634-V637 VanDerWaalsContact O-CB 3.23Å; S634-V637 WeakPolarHBondContact O-CB 3.26Å; S634-V637 VanDerWaalsContact O-CG2 3.3Å; S634-V637 WeakPolarHBondContact O-CG2 3.31Å; S634-V637 PolarHBondContact O-N 3.39Å; S634-Q639 PolarHBondContact OG-NE2 3.1Å; S634-Q639 VanDerWaalsContact OG-NE2 3.07Å
635	N	83	Confident	86.8	Confident	137 Å²	137	71.5 Å²	71.5	73%	0.733	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	32.7	-173.4	-68.1	-33.2	0	0	0	113.6	N631 K632 F633 V637	N631-N635 PolarHBondContact O-N 2.97Å; K632-N635 PolarHBondContact O-N 3.12Å; K632-N635 VanDerWaalsContact O-N 3.15Å; F633-N635 PolarHBondContact O-N 3.34Å; N635-V637 PolarHBondContact O-N 2.88Å; N635-V637 VanDerWaalsContact O-N 3.13Å
636	N	77.2	Confident	86.6	Confident	133 Å²	133	74.9 Å²	74.9	71%	0.711	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	15.6	-171.7	-54.4	-53.1	0	0	0	115	N631 S634 S638	N631-N636 PolarHBondContact O-N 3.42Å; S634-N636 PolarHBondContact O-N 3.21Å; S634-N636 VanDerWaalsContact O-N 3.15Å; N636-S638 PolarHBondContact O-N 2.93Å
637	V	71.5	Confident	86.4	Confident	100 Å²	100	76.1 Å²	76.1	61%	0.606	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-64.5	127.9	168.9	179.4	0	0	0	0	107.8	S634 N635 Q639	S634-V637 VanDerWaalsContact O-CB 3.23Å; S634-V637 WeakPolarHBondContact O-CB 3.26Å; S634-V637 VanDerWaalsContact O-CG2 3.3Å; S634-V637 WeakPolarHBondContact O-CG2 3.31Å; S634-V637 PolarHBondContact O-N 3.39Å; N635-V637 PolarHBondContact O-N 2.88Å; N635-V637 VanDerWaalsContact O-N 3.13Å; V637-Q639 PolarHBondContact O-N 3.11Å; V637-Q639 VanDerWaalsContact O-N 3.14Å
638	S	74.8	Confident	86.5	Confident	112 Å²	112	74.7 Å²	74.7	78%	0.783	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-59	118.7	177.3	54.7	0	0	0	0	109.5	N636	N636-S638 PolarHBondContact O-N 2.93Å
639	Q	72.2	Confident	86.6	Confident	52 Å²	52	75.7 Å²	75.7	24%	0.243	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-72.1	148.7	173.6	-64.6	-171.8	-33.8	0	0	110.1	S634 V637 H641 S644	S634-Q639 PolarHBondContact OG-NE2 3.1Å; S634-Q639 VanDerWaalsContact OG-NE2 3.07Å; V637-Q639 PolarHBondContact O-N 3.11Å; V637-Q639 VanDerWaalsContact O-N 3.14Å; Q639-H641 PolarHBondContact O-N 3.12Å; Q639-S644 WeakPolarHBondContact CB-OG 3.29Å; Q639-S644 PolarHBondContact OE1-OG 3.24Å
640	D	82.5	Confident	86.7	Confident	79 Å²	79	77.9 Å²	77.9	42%	0.422	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-54.3	140.3	168.6	171.8	36.3	0	0	0	110.1	H642 Q643 S644	D640-H642 VanDerWaalsContact C-N 3.28Å; D640-H642 PolarHBondContact O-N 2.97Å; D640-H642 WeakPolarHBondContact OD2-CB 3.43Å; D640-Q643 HydrophobicContact CB-CB 4.2Å; D640-Q643 HydrophobicContact CB-CG 4.01Å; D640-Q643 PolarHBondContact O-N 3.37Å; D640-S644 PolarHBondContact O-N 3.07Å; D640-S644 PolarHBondContact O-OG 3.07Å
641	H	81.9	Confident	86.9	Confident	100 Å²	100	76.9 Å²	76.9	46%	0.463	40%	0.399	S	S	.	.	H	α-helix	trans	-61.6	-40	-176.2	-171.8	46.5	0	0	0	111.1	Q639 S644 L645	Q639-H641 PolarHBondContact O-N 3.12Å; H641-S644 PolarHBondContact O-N 3.19Å; H641-L645 WeakPolarHBondContact O-CG 3.36Å; H641-L645 PolarHBondContact O-N 3.34Å
642	H	81.1	Confident	87.3	Confident	134 Å²	134	73.7 Å²	73.7	62%	0.62	38%	0.382	S	S	*	.	H	α-helix	trans	-65.9	-45.6	177.4	-67.8	-78.9	0	0	0	111.7	D640 S644 L645 T646	D640-H642 VanDerWaalsContact C-N 3.28Å; D640-H642 PolarHBondContact O-N 2.97Å; D640-H642 WeakPolarHBondContact OD2-CB 3.43Å; H642-S644 VanDerWaalsContact C-N 3.31Å; H642-S644 PolarHBondContact O-N 3.34Å; H642-L645 PolarHBondContact O-N 3.48Å; H642-T646 PolarHBondContact O-N 2.79Å; H642-T646 PolarHBondContact O-OG1 3.47Å; H642-T646 VanDerWaalsContact O-OG1 3.12Å
643	Q	83.1	Confident	87.6	Confident	125 Å²	125	69.2 Å²	69.2	58%	0.584	36%	0.364	S	S	*	.	H	α-helix	trans	-59.3	-41.6	175.7	-67.9	179.6	-1.1	0	0	112.3	D640 T646 S647	D640-Q643 HydrophobicContact CB-CB 4.2Å; D640-Q643 HydrophobicContact CB-CG 4.01Å; D640-Q643 PolarHBondContact O-N 3.37Å; Q643-T646 PolarHBondContact O-N 3.08Å; Q643-S647 WeakPolarHBondContact O-CB 3.34Å; Q643-S647 PolarHBondContact O-N 3.37Å
644	S	86.9	Confident	88	Confident	15 Å²	15	63 Å²	63	11%	0.105	34%	0.337	C	S	.	.	H	α-helix	trans	-60.9	-44.5	175.5	-71.8	0	0	0	0	112.2	Q639 D640 H641 H642 S647 D648	Q639-S644 WeakPolarHBondContact CB-OG 3.29Å; Q639-S644 PolarHBondContact OE1-OG 3.24Å; D640-S644 PolarHBondContact O-N 3.07Å; D640-S644 PolarHBondContact O-OG 3.07Å; H641-S644 PolarHBondContact O-N 3.19Å; H642-S644 VanDerWaalsContact C-N 3.31Å; H642-S644 PolarHBondContact O-N 3.34Å; S644-S647 PolarHBondContact O-N 3.13Å; S644-D648 WeakPolarHBondContact O-CB 3.35Å; S644-D648 VanDerWaalsContact O-CG 3.28Å; S644-D648 PolarHBondContact O-N 2.82Å
645	L	91.1	Very high	88.6	Confident	26 Å²	26	61.5 Å²	61.5	14%	0.136	33%	0.326	C	S	.	.	H	α-helix	trans	-66.9	-41.5	178.4	-71.4	172.7	0	0	0	111.8	H641 H642 S647 D648 R649	H641-L645 WeakPolarHBondContact O-CG 3.36Å; H641-L645 PolarHBondContact O-N 3.34Å; H642-L645 PolarHBondContact O-N 3.48Å; L645-S647 VanDerWaalsContact C-N 3.34Å; L645-S647 PolarHBondContact O-N 2.81Å; L645-D648 PolarHBondContact O-N 2.9Å; L645-R649 WeakPolarHBondContact O-CB 3.36Å; L645-R649 VanDerWaalsContact O-CG 3.24Å; L645-R649 WeakPolarHBondContact O-CG 3.36Å; L645-R649 PolarHBondContact O-N 2.97Å
646	T	93.1	Very high	89.3	Confident	70 Å²	70	55 Å²	55	43%	0.429	29%	0.291	S	S	.	.	H	α-helix	trans	-60.2	-44.7	176.1	-61.5	0	0	0	0	111.4	H642 Q643 R649 L650	H642-T646 PolarHBondContact O-N 2.79Å; H642-T646 PolarHBondContact O-OG1 3.47Å; H642-T646 VanDerWaalsContact O-OG1 3.12Å; Q643-T646 PolarHBondContact O-N 3.08Å; T646-R649 PolarHBondContact O-N 3.16Å; T646-L650 PolarHBondContact O-N 3.18Å
647	S	95.3	Very high	90.3	Very high	26 Å²	26	51.4 Å²	51.4	18%	0.182	27%	0.27	C	S	.	.	H	α-helix	trans	-65.5	-40.6	177.3	-170.4	0	0	0	0	111.9	A538 Y626 Q643 S644 L645 L650 F651	A538-S647 WeakPolarHBondContact CB-O 3.37Å; Y626-S647 WeakPolarHBondContact OH-CB 3.34Å; Y626-S647 PolarHBondContact OH-OG 3.21Å; Q643-S647 WeakPolarHBondContact O-CB 3.34Å; Q643-S647 PolarHBondContact O-N 3.37Å; S644-S647 PolarHBondContact O-N 3.13Å; L645-S647 VanDerWaalsContact C-N 3.34Å; L645-S647 PolarHBondContact O-N 2.81Å; S647-L650 PolarHBondContact O-N 3.38Å; S647-F651 PolarHBondContact O-N 2.87Å
648	D	97.3	Very high	91.6	Very high	13 Å²	13	46.6 Å²	46.6	7%	0.07	24%	0.241	C	C	.	.	H	α-helix	trans	-68.2	-36.5	176.8	-72.6	7.1	0	0	0	112.4	Y623 Y626 R627 S644 L645 F651 F652 A697	Y623-D648 HydrophobicContact CE2-CB 4.38Å; Y623-D648 PolarHBondContact OH-OD2 2.93Å; Y626-D648 WeakPolarHBondContact CE1-OD1 3.36Å; Y626-D648 PolarHBondContact OH-N 3.08Å; Y626-D648 PolarHBondContact OH-OD1 3.34Å; R627-D648 WeakPolarHBondContact CD-OD1 3.37Å; R627-D648 IonicContact CZ-OD1 2.77Å; R627-D648 IonicContact NE-OD1 2.82Å; R627-D648 IonicContact NH1-OD1 2.68Å; R627-D648 PolarHBondContact NH1-OD1 3.33Å; R627-D648 IonicContact NH1-OD2 3.74Å; S644-D648 WeakPolarHBondContact O-CB 3.35Å; S644-D648 VanDerWaalsContact O-CG 3.28Å; S644-D648 PolarHBondContact O-N 2.82Å; L645-D648 PolarHBondContact O-N 2.9Å; D648-F651 WeakPolarHBondContact O-CB 3.3Å; D648-F651 PolarHBondContact O-N 3.25Å; D648-F652 WeakPolarHBondContact O-CD2 3.39Å; D648-F652 PolarHBondContact O-N 3.19Å; D648-A697 HydrophobicContact CB-CB 3.92Å
649	R	98	Very high	92.7	Very high	90 Å²	90	41.4 Å²	41.4	34%	0.34	21%	0.205	S	C	.	.	H	α-helix	trans	-59.6	-46.9	171.7	-73.2	169	-175.7	-177.6	-1.4	111	L645 T646 F651 F652 L653 A697 Y698	L645-R649 WeakPolarHBondContact O-CB 3.36Å; L645-R649 VanDerWaalsContact O-CG 3.24Å; L645-R649 WeakPolarHBondContact O-CG 3.36Å; L645-R649 PolarHBondContact O-N 2.97Å; T646-R649 PolarHBondContact O-N 3.16Å; R649-F651 VanDerWaalsContact C-N 3.3Å; R649-F651 PolarHBondContact O-N 3.22Å; R649-F652 PolarHBondContact O-N 3.34Å; R649-L653 WeakPolarHBondContact O-CB 3.31Å; R649-L653 PolarHBondContact O-N 2.88Å; R649-A697 HydrophobicContact CG-CB 4.32Å; R649-A697 PolarHBondContact NE-O 2.76Å; R649-A697 PolarHBondContact NH2-O 3.44Å; R649-Y698 HydrophobicContact CB-CE1 4.36Å; R649-Y698 HydrophobicContact CB-CE2 4.03Å; R649-Y698 HydrophobicContact CG-CD1 4.36Å; R649-Y698 HydrophobicContact CG-CD2 4.2Å; R649-Y698 HydrophobicContact CG-CE1 4.04Å; R649-Y698 HydrophobicContact CG-CE2 3.87Å; R649-Y698 HydrophobicContact CG-CG 4.44Å; R649-Y698 PolarHBondContact O-OH 3.28Å
650	L	97.7	Very high	93.9	Very high	51 Å²	51	38.9 Å²	38.9	27%	0.267	19%	0.193	S	C	.	.	H	α-helix	trans	-59.6	-40.2	176.7	-179.7	59.3	0	0	0	112	S536 A538 T646 S647 F652 L653 S654	S536-L650 WeakPolarHBondContact OG-CD2 3.3Å; A538-L650 HydrophobicContact CB-CB 4.19Å; A538-L650 HydrophobicContact CB-CD2 4.24Å; A538-L650 HydrophobicContact CB-CG 4.21Å; T646-L650 PolarHBondContact O-N 3.18Å; S647-L650 PolarHBondContact O-N 3.38Å; L650-F652 PolarHBondContact O-N 2.9Å; L650-L653 PolarHBondContact O-N 3.17Å; L650-S654 WeakPolarHBondContact O-CB 3.25Å; L650-S654 PolarHBondContact O-N 2.9Å; L650-S654 PolarHBondContact O-OG 3.47Å; L650-S654 VanDerWaalsContact O-OG 3.12Å
651	F	98.6	Very high	94.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-56.7	-51	175.9	171.1	-83	0	0	0	112	A538 Y541 G542 L619 Y623 Y626 S647 D648 R649 S654 F655	A538-F651 HydrophobicContact CB-CB 4.1Å; A538-F651 WeakPolarHBondContact O-CA 3.44Å; Y541-F651 VanDerWaalsContact C-CE2 3.44Å; Y541-F651 WeakPolarHBondContact O-CE2 3.26Å; G542-F651 VanDerWaalsContact CA-O 3.31Å; G542-F651 WeakPolarHBondContact CA-O 3.47Å; L619-F651 HydrophobicContact CD1-CE1 3.63Å; L619-F651 HydrophobicContact CD1-CZ 3.73Å; L619-F651 HydrophobicContact CG-CE1 4.17Å; L619-F651 HydrophobicContact CG-CZ 4.42Å; Y623-F651 VanDerWaalsContact CA-CZ 3.42Å; Y623-F651 AromaticContact CD2-CD1 3.69Å; Y623-F651 HydrophobicContact CD2-CD1 3.69Å; Y623-F651 AromaticContact CD2-CE1 3.72Å; Y623-F651 HydrophobicContact CD2-CE1 3.72Å; Y623-F651 HydrophobicContact CD2-CG 4.19Å; Y623-F651 HydrophobicContact CD2-CZ 4.21Å; Y623-F651 HydrophobicContact CG-CE1 4.21Å; Y623-F651 HydrophobicContact CG-CZ 4.37Å; Y626-F651 HydrophobicContact CD1-CB 4.43Å; Y626-F651 AromaticContact CD1-CD2 3.77Å; Y626-F651 HydrophobicContact CD1-CD2 3.77Å; Y626-F651 HydrophobicContact CD1-CE2 4.34Å; Y626-F651 HydrophobicContact CD1-CG 4.18Å; Y626-F651 HydrophobicContact CE1-CB 4.22Å; Y626-F651 HydrophobicContact CE1-CD2 4.39Å; Y626-F651 HydrophobicContact CE1-CG 4.41Å; Y626-F651 HydrophobicContact CG-CD2 4.03Å; S647-F651 PolarHBondContact O-N 2.87Å; D648-F651 WeakPolarHBondContact O-CB 3.3Å; D648-F651 PolarHBondContact O-N 3.25Å; R649-F651 VanDerWaalsContact C-N 3.3Å; R649-F651 PolarHBondContact O-N 3.22Å; F651-S654 PolarHBondContact O-N 3.49Å; F651-F655 PolarHBondContact O-N 3.46Å
652	F	98.7	Very high	95.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-71.4	-32.1	-178.5	-66.4	-64.5	0	0	0	112.5	L619 Y623 D648 R649 L650 F655 A656 L688 R693 F694 A697 Y698	L619-F652 HydrophobicContact CD2-CD1 4.22Å; L619-F652 HydrophobicContact CD2-CE1 4.15Å; Y623-F652 HydrophobicContact CD2-CE1 4.27Å; Y623-F652 HydrophobicContact CD2-CE2 4.19Å; Y623-F652 AromaticContact CD2-CZ 3.66Å; Y623-F652 HydrophobicContact CD2-CZ 3.66Å; Y623-F652 AromaticContact CE2-CE2 3.95Å; Y623-F652 HydrophobicContact CE2-CE2 3.95Å; Y623-F652 AromaticContact CE2-CZ 3.79Å; Y623-F652 HydrophobicContact CE2-CZ 3.79Å; D648-F652 WeakPolarHBondContact O-CD2 3.39Å; D648-F652 PolarHBondContact O-N 3.19Å; R649-F652 PolarHBondContact O-N 3.34Å; L650-F652 PolarHBondContact O-N 2.9Å; F652-F655 PolarHBondContact O-N 3.07Å; F652-A656 PolarHBondContact O-N 3.16Å; F652-L688 HydrophobicContact CD1-CD2 3.59Å; F652-L688 HydrophobicContact CE1-CD2 4.22Å; F652-L688 HydrophobicContact CG-CD2 4.34Å; F652-R693 HydrophobicContact CZ-CB 4.1Å; F652-F694 HydrophobicContact CB-CD2 4.01Å; F652-F694 HydrophobicContact CD1-CB 3.92Å; F652-F694 HydrophobicContact CD1-CD2 4.3Å; F652-F694 HydrophobicContact CD2-CB 4.08Å; F652-F694 HydrophobicContact CD2-CD2 4.17Å; F652-F694 HydrophobicContact CE1-CB 3.75Å; F652-F694 HydrophobicContact CE2-CB 3.94Å; F652-F694 HydrophobicContact CG-CB 4.1Å; F652-F694 AromaticContact CG-CD2 3.91Å; F652-F694 HydrophobicContact CG-CD2 3.91Å; F652-F694 HydrophobicContact CZ-CB 3.76Å; F652-F694 VanDerWaalsContact CZ-N 3.33Å; F652-A697 HydrophobicContact CD2-CB 4.09Å; F652-A697 HydrophobicContact CE2-CB 4Å; F652-Y698 HydrophobicContact CB-CE2 4.05Å; F652-Y698 HydrophobicContact CD2-CE2 4.41Å
653	L	98.6	Very high	95.6	Very high	25 Å²	25	27.4 Å²	27.4	13%	0.131	14%	0.139	C	C	.	.	H	α-helix	trans	-63.9	-47.9	173.1	-177.7	61.3	0	0	0	111.2	A73 R649 L650 F655 A656 Q657	A73-L653 HydrophobicContact CB-CD1 3.88Å; R649-L653 WeakPolarHBondContact O-CB 3.31Å; R649-L653 PolarHBondContact O-N 2.88Å; L650-L653 PolarHBondContact O-N 3.17Å; L653-F655 VanDerWaalsContact C-N 3.3Å; L653-F655 PolarHBondContact O-N 3.07Å; L653-A656 PolarHBondContact O-N 2.91Å; L653-Q657 HydrophobicContact CD1-CG 4.2Å; L653-Q657 HydrophobicContact CG-CG 4.48Å; L653-Q657 WeakPolarHBondContact O-CB 3.18Å; L653-Q657 WeakPolarHBondContact O-CG 3.22Å; L653-Q657 PolarHBondContact O-N 3.24Å
654	S	98.6	Very high	96	Very high	4 Å²	4	21.5 Å²	21.5	3%	0.028	11%	0.112	C	C	.	.	H	α-helix	trans	-63.5	-35.8	177.3	-62.8	0	0	0	0	112.5	S539 L650 F651 S658	S539-S654 WeakPolarHBondContact CA-OG 3.36Å; S539-S654 VanDerWaalsContact CB-OG 3.32Å; S539-S654 WeakPolarHBondContact CB-OG 3.49Å; L650-S654 WeakPolarHBondContact O-CB 3.25Å; L650-S654 PolarHBondContact O-N 2.9Å; L650-S654 PolarHBondContact O-OG 3.47Å; L650-S654 VanDerWaalsContact O-OG 3.12Å; F651-S654 PolarHBondContact O-N 3.49Å; S654-S658 PolarHBondContact O-N 3.46Å; S654-S658 VanDerWaalsContact O-N 3.16Å
655	F	98.8	Very high	96.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.5	-55.4	169.8	163.4	-112.6	0	0	0	111.6	G542 W546 L619 F651 F652 L653 Q657 S658 L659 V684 V687 L688	G542-F655 WeakPolarHBondContact O-CA 3.37Å; G542-F655 VanDerWaalsContact O-CB 3.23Å; G542-F655 WeakPolarHBondContact O-CB 3.11Å; G542-F655 PolarHBondContact O-N 3.42Å; W546-F655 HydrophobicContact CB-CD2 4.3Å; W546-F655 AromaticContact CD1-CD2 3.99Å; W546-F655 AromaticContact CD1-CE2 3.9Å; W546-F655 AromaticContact CD2-CD2 3.67Å; W546-F655 HydrophobicContact CD2-CD2 3.67Å; W546-F655 AromaticContact CD2-CE2 3.62Å; W546-F655 HydrophobicContact CD2-CE2 3.62Å; W546-F655 AromaticContact CE2-CE2 3.45Å; W546-F655 VanDerWaalsContact CE2-CE2 3.45Å; W546-F655 HydrophobicContact CE3-CD2 4.11Å; W546-F655 HydrophobicContact CE3-CE2 4.17Å; W546-F655 AromaticContact CG-CD2 3.69Å; W546-F655 HydrophobicContact CG-CD2 3.69Å; W546-F655 AromaticContact CG-CE2 3.93Å; W546-F655 HydrophobicContact CG-CE2 3.93Å; W546-F655 HydrophobicContact CH2-CE2 4.48Å; W546-F655 AromaticContact CZ2-CE2 3.9Å; W546-F655 HydrophobicContact CZ2-CE2 3.9Å; W546-F655 AromaticContact NE1-CE2 3.57Å; L619-F655 HydrophobicContact CD1-CB 3.86Å; L619-F655 HydrophobicContact CD1-CD1 4Å; L619-F655 HydrophobicContact CD1-CD2 3.57Å; L619-F655 HydrophobicContact CD1-CE1 4.49Å; L619-F655 HydrophobicContact CD1-CE2 4.11Å; L619-F655 HydrophobicContact CD1-CG 3.5Å; L619-F655 VanDerWaalsContact CD1-CG 3.5Å; L619-F655 HydrophobicContact CD2-CD1 3.86Å; L619-F655 HydrophobicContact CD2-CE1 3.87Å; L619-F655 HydrophobicContact CD2-CG 4.23Å; L619-F655 HydrophobicContact CD2-CZ 4.25Å; F651-F655 PolarHBondContact O-N 3.46Å; F652-F655 PolarHBondContact O-N 3.07Å; L653-F655 VanDerWaalsContact C-N 3.3Å; L653-F655 PolarHBondContact O-N 3.07Å; F655-Q657 VanDerWaalsContact C-N 3.32Å; F655-Q657 PolarHBondContact O-N 3.23Å; F655-S658 WeakPolarHBondContact O-CB 3.48Å; F655-S658 PolarHBondContact O-N 2.75Å; F655-S658 VanDerWaalsContact O-N 3.15Å; F655-S658 PolarHBondContact O-OG 3.38Å; F655-L659 HydrophobicContact CD2-CD1 4.47Å; F655-L659 HydrophobicContact CE2-CD1 3.66Å; F655-L659 HydrophobicContact CZ-CD1 3.96Å; F655-V684 HydrophobicContact CE1-CG1 4.3Å; F655-V687 HydrophobicContact CE1-CB 4.28Å; F655-V687 HydrophobicContact CE1-CG1 4.21Å; F655-V687 HydrophobicContact CZ-CB 4.01Å; F655-V687 HydrophobicContact CZ-CG1 4.01Å; F655-V687 HydrophobicContact CZ-CG2 4.31Å; F655-L688 HydrophobicContact CD1-CD2 3.94Å; F655-L688 HydrophobicContact CD1-CG 4.32Å; F655-L688 HydrophobicContact CE1-CD1 4.44Å; F655-L688 HydrophobicContact CE1-CD2 3.95Å; F655-L688 HydrophobicContact CE1-CG 3.98Å
656	A	98.8	Very high	96.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.9	-41.5	-177.9	0	0	0	0	0	112.1	F69 A73 F652 L653 S658 L659 C660 V684	F69-A656 HydrophobicContact CD1-CB 4.12Å; F69-A656 HydrophobicContact CE1-CB 3.69Å; A73-A656 HydrophobicContact CB-CB 3.55Å; F652-A656 PolarHBondContact O-N 3.16Å; L653-A656 PolarHBondContact O-N 2.91Å; A656-S658 VanDerWaalsContact C-N 3.25Å; A656-S658 PolarHBondContact O-N 2.9Å; A656-L659 CarbonylContact O-C 3.18Å; A656-L659 VanDerWaalsContact O-C 3.32Å; A656-L659 WeakPolarHBondContact O-CA 3.33Å; A656-L659 PolarHBondContact O-N 2.95Å; A656-C660 PolarHBondContact O-N 2.81Å; A656-V684 HydrophobicContact CB-CG1 3.65Å; A656-V684 HydrophobicContact CB-CG2 4.34Å
657	Q	98.1	Very high	95.9	Very high	57 Å²	57	27 Å²	27	27%	0.266	14%	0.136	S	C	.	.	H	α-helix	trans	-66.9	-23.9	179	-72.8	177.4	-22.5	0	0	113.9	T92 L653 F655 L659	T92-Q657 PolarHBondContact OG1-O 2.8Å; L653-Q657 HydrophobicContact CD1-CG 4.2Å; L653-Q657 HydrophobicContact CG-CG 4.48Å; L653-Q657 WeakPolarHBondContact O-CB 3.18Å; L653-Q657 WeakPolarHBondContact O-CG 3.22Å; L653-Q657 PolarHBondContact O-N 3.24Å; F655-Q657 VanDerWaalsContact C-N 3.32Å; F655-Q657 PolarHBondContact O-N 3.23Å; Q657-L659 PolarHBondContact O-N 3.31Å
658	S	97.7	Very high	95.7	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-15.1	171.8	78.3	0	0	0	0	113.2	F530 S654 F655 A656	F530-S658 WeakPolarHBondContact CE1-O 3.43Å; S654-S658 PolarHBondContact O-N 3.46Å; S654-S658 VanDerWaalsContact O-N 3.16Å; F655-S658 WeakPolarHBondContact O-CB 3.48Å; F655-S658 PolarHBondContact O-N 2.75Å; F655-S658 VanDerWaalsContact O-N 3.15Å; F655-S658 PolarHBondContact O-OG 3.38Å; A656-S658 VanDerWaalsContact C-N 3.25Å; A656-S658 PolarHBondContact O-N 2.9Å
659	L	97.9	Very high	95.3	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.5	39.8	-175.2	-69.2	174.2	0	0	0	111.4	Y70 F93 W546 F655 A656 Q657 E680 R683 V684	Y70-L659 WeakPolarHBondContact CE2-O 3.47Å; F93-L659 HydrophobicContact CE2-CD2 4.46Å; W546-L659 HydrophobicContact CH2-CD1 3.53Å; W546-L659 HydrophobicContact CH2-CD2 3.77Å; W546-L659 HydrophobicContact CH2-CG 3.89Å; W546-L659 HydrophobicContact CZ2-CD1 3.91Å; W546-L659 HydrophobicContact CZ3-CD1 3.91Å; W546-L659 HydrophobicContact CZ3-CD2 3.94Å; W546-L659 HydrophobicContact CZ3-CG 3.89Å; F655-L659 HydrophobicContact CD2-CD1 4.47Å; F655-L659 HydrophobicContact CE2-CD1 3.66Å; F655-L659 HydrophobicContact CZ-CD1 3.96Å; A656-L659 CarbonylContact O-C 3.18Å; A656-L659 VanDerWaalsContact O-C 3.32Å; A656-L659 WeakPolarHBondContact O-CA 3.33Å; A656-L659 PolarHBondContact O-N 2.95Å; Q657-L659 PolarHBondContact O-N 3.31Å; L659-E680 VanDerWaalsContact O-CB 3.3Å; L659-E680 WeakPolarHBondContact O-CB 3.33Å; L659-R683 HydrophobicContact CD1-CB 3.9Å; L659-V684 HydrophobicContact CB-CG2 3.58Å; L659-V684 HydrophobicContact CD1-CG2 4.03Å; L659-V684 HydrophobicContact CG-CG2 4.49Å
660	C	98.2	Very high	94.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.			trans	-80.5	139.8	166.9	-57.5	0	0	0	0	109.8	C74 W77 T91 T92 A656	C74-C660 VanDerWaalsContact CA-SG 3.53Å; C74-C660 HydrophobicContact CB-CB 3.67Å; C74-C660 WeakPolarHBondContact CB-SG 3.39Å; C74-C660 WeakPolarHBondContact SG-CA 3.33Å; C74-C660 WeakPolarHBondContact SG-CB 3.45Å; C74-C660 CovalentContact SG-SG 2.04Å; C74-C660 PolarHBondContact SG-SG 3.21Å; W77-C660 HydrophobicContact CD2-CB 3.58Å; W77-C660 HydrophobicContact CE3-CB 3.29Å; W77-C660 HydrophobicContact CG-CB 4.16Å; W77-C660 HydrophobicContact CH2-CB 4.34Å; W77-C660 HydrophobicContact CZ3-CB 3.71Å; T91-C660 CarbonylContact C-O 3.19Å; T91-C660 WeakPolarHBondContact CA-O 3.43Å; T92-C660 PolarHBondContact N-O 3.13Å; T92-C660 PolarHBondContact OG1-N 2.74Å; T92-C660 PolarHBondContact OG1-O 3.45Å; A656-C660 PolarHBondContact O-N 2.81Å
661	G	95.5	Very high	94.4	Very high	7 Å²	7	30 Å²	30	7%	0.072	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	142.2	175.3	0	0	0	0	0	115.5	Y70 S90	Y70-G661 PolarHBondContact OH-N 3.05Å; Y70-G661 PolarHBondContact OH-O 3.08Å; Y70-G661 VanDerWaalsContact OH-O 3.05Å; S90-G661 CarbonylContact O-C 3.58Å; S90-G661 WeakPolarHBondContact O-CA 3.48Å
662	H	94.1	Very high	93.9	Very high	39 Å²	39	30.5 Å²	30.5	18%	0.181	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	152.5	174.4	72	126.9	0	0	0	111.6	E78 N81 F83 S89 S90	E78-H662 HydrophobicContact CG-CB 4.28Å; N81-H662 PolarHBondContact O-NE2 2.83Å; F83-H662 AromaticContact CD1-CE1 3.24Å; F83-H662 WeakPolarHBondContact CD1-CE1 3.35Å; F83-H662 AromaticContact CD1-CG 3.73Å; F83-H662 AromaticContact CD1-ND1 3.15Å; F83-H662 WeakPolarHBondContact CD1-ND1 3.26Å; F83-H662 AromaticContact CD1-NE2 3.85Å; F83-H662 HydrophobicContact CE1-CB 4.31Å; F83-H662 AromaticContact CE1-CE1 3.55Å; F83-H662 AromaticContact CE1-CG 3.78Å; F83-H662 AromaticContact CE1-ND1 3.02Å; F83-H662 WeakPolarHBondContact CE1-ND1 3.34Å; S89-H662 WeakPolarHBondContact CA-O 3.44Å; S90-H662 PolarHBondContact N-O 3.49Å; S90-H662 PolarHBondContact O-CD2 3.24Å; S90-H662 PolarHBondContact O-N 2.52Å
663	H	92.7	Very high	93.4	Very high	25 Å²	25	35.5 Å²	35.5	12%	0.116	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	140	-163.2	-57.5	-93.7	0	0	0	111.7	F83 S89 L668 E680	F83-H663 VanDerWaalsContact CZ-C 3.48Å; F83-H663 WeakPolarHBondContact CZ-O 3.24Å; S89-H663 WeakPolarHBondContact CB-ND1 3.5Å; H663-L668 HydrophobicContact CB-CB 3.96Å; H663-L668 HydrophobicContact CB-CD1 4.39Å; H663-E680 IonicContact CD2-OE2 3.61Å; H663-E680 IonicContact CE1-OE2 3.95Å; H663-E680 IonicContact NE2-OE1 3.58Å; H663-E680 IonicContact NE2-OE2 3.07Å; H663-E680 PolarHBondContact NE2-OE2 2.79Å
664	G	91.6	Very high	92.9	Very high	2 Å²	2	37.4 Å²	37.4	2%	0.021	21%	0.209	C	C	.	.			trans	-64.2	158.4	165.1	0	0	0	0	0	111.7	F83 E86 S88 T666 M667 L668	F83-G664 VanDerWaalsContact CE2-CA 3.43Å; E86-G664 CarbonylContact O-C 3.6Å; E86-G664 WeakPolarHBondContact O-CA 3.4Å; S88-G664 PolarHBondContact O-N 3.45Å; G664-T666 PolarHBondContact O-N 3.44Å; G664-M667 CarbonylContact O-C 3.54Å; G664-M667 PolarHBondContact O-N 3.19Å; G664-M667 VanDerWaalsContact O-N 3.13Å; G664-L668 VanDerWaalsContact O-CB 3.23Å; G664-L668 WeakPolarHBondContact O-CB 3.36Å; G664-L668 PolarHBondContact O-N 3.3Å
665	Q	90.6	Very high	92.5	Very high	115 Å²	115	41.9 Å²	41.9	54%	0.537	23%	0.23	S	C	.	.	H	α-helix	trans	-58.5	-40.7	-168.3	-172.3	61.9	35.8	0	0	114	E86 L669	E86-Q665 PolarHBondContact O-N 2.9Å; Q665-L669 PolarHBondContact O-N 3.12Å
666	T	89.8	Confident	92.3	Very high	66 Å²	66	43.8 Å²	43.8	41%	0.405	24%	0.242	S	C	.	.	H	α-helix	trans	-68.2	-46.9	176.4	-53.3	0	0	0	0	110.7	E86 D87 G664 L668 L669 L670	E86-T666 WeakPolarHBondContact O-CB 3.48Å; E86-T666 PolarHBondContact O-N 3Å; D87-T666 WeakPolarHBondContact OD1-CB 3.25Å; D87-T666 VanDerWaalsContact OD1-CG2 3.24Å; D87-T666 WeakPolarHBondContact OD1-CG2 3.19Å; D87-T666 PolarHBondContact OD1-OG1 2.86Å; D87-T666 VanDerWaalsContact OD1-OG1 3.09Å; G664-T666 PolarHBondContact O-N 3.44Å; T666-L668 VanDerWaalsContact C-N 3.3Å; T666-L668 PolarHBondContact O-N 3.46Å; T666-L669 PolarHBondContact O-N 3.49Å; T666-L670 PolarHBondContact O-N 2.86Å
667	M	87.9	Confident	92.1	Very high	45 Å²	45	46.3 Å²	46.3	22%	0.222	25%	0.254	C	S	.	.	H	α-helix	trans	-65.4	-34.9	179.7	-171.3	50.9	62.1	0	0	112.2	E86 D87 G664 L670 T671	E86-M667 PolarHBondContact O-N 3.25Å; E86-M667 VanDerWaalsContact O-N 3.1Å; D87-M667 WeakPolarHBondContact O-CE 3.3Å; G664-M667 CarbonylContact O-C 3.54Å; G664-M667 PolarHBondContact O-N 3.19Å; G664-M667 VanDerWaalsContact O-N 3.13Å; M667-L670 HydrophobicContact CE-CD2 4.19Å; M667-L670 PolarHBondContact O-N 2.62Å; M667-L670 HydrophobicContact SD-CD2 4.11Å; M667-T671 VanDerWaalsContact O-CB 3.23Å; M667-T671 WeakPolarHBondContact O-CB 3.42Å; M667-T671 PolarHBondContact O-N 3.23Å; M667-T671 PolarHBondContact O-OG1 2.97Å
668	L	91	Very high	92	Very high	25 Å²	25	44 Å²	44	13%	0.131	24%	0.244	C	C	.	.	H	α-helix	trans	-59.8	-48.8	173.4	177.7	64.9	0	0	0	110.6	F598 H663 G664 T666 S672 L679	F598-L668 HydrophobicContact CD2-CD1 4.4Å; F598-L668 HydrophobicContact CE2-CD1 4.41Å; F598-L668 HydrophobicContact CE2-CD2 3.85Å; F598-L668 HydrophobicContact CE2-CG 4.35Å; F598-L668 HydrophobicContact CZ-CD2 3.81Å; F598-L668 HydrophobicContact CZ-CG 4.44Å; H663-L668 HydrophobicContact CB-CB 3.96Å; H663-L668 HydrophobicContact CB-CD1 4.39Å; G664-L668 VanDerWaalsContact O-CB 3.23Å; G664-L668 WeakPolarHBondContact O-CB 3.36Å; G664-L668 PolarHBondContact O-N 3.3Å; T666-L668 VanDerWaalsContact C-N 3.3Å; T666-L668 PolarHBondContact O-N 3.46Å; L668-S672 WeakPolarHBondContact O-CB 3.41Å; L668-S672 PolarHBondContact O-N 3.18Å; L668-S672 PolarHBondContact O-OG 3.02Å; L668-L679 HydrophobicContact CD1-CD1 3.46Å; L668-L679 VanDerWaalsContact CD1-CD1 3.46Å; L668-L679 HydrophobicContact CD1-CD2 3.9Å; L668-L679 HydrophobicContact CD1-CG 4.34Å
669	L	89.6	Confident	91.9	Very high	105 Å²	105	45 Å²	45	55%	0.55	25%	0.249	S	C	.	.	H	α-helix	trans	-64.1	-45.4	177.4	-177.5	63.8	0	0	0	111.4	Q665 T666 S672 V673	Q665-L669 PolarHBondContact O-N 3.12Å; T666-L669 PolarHBondContact O-N 3.49Å; L669-S672 PolarHBondContact O-N 3.3Å; L669-V673 HydrophobicContact CD1-CG2 4.16Å; L669-V673 WeakPolarHBondContact O-CG2 3.24Å; L669-V673 PolarHBondContact O-N 2.89Å
670	L	88.4	Confident	91.8	Very high	94 Å²	94	46.3 Å²	46.3	49%	0.492	26%	0.255	S	S	.	.	H	α-helix	trans	-60.7	-47.1	178.7	-179.3	62.3	0	0	0	111.5	T666 M667 V673 A674	T666-L670 PolarHBondContact O-N 2.86Å; M667-L670 HydrophobicContact CE-CD2 4.19Å; M667-L670 PolarHBondContact O-N 2.62Å; M667-L670 HydrophobicContact SD-CD2 4.11Å; L670-V673 PolarHBondContact O-N 3.03Å; L670-A674 HydrophobicContact CD1-CB 3.95Å; L670-A674 VanDerWaalsContact O-CB 3.26Å; L670-A674 WeakPolarHBondContact O-CB 3.35Å; L670-A674 PolarHBondContact O-N 3Å
671	T	88	Confident	91.7	Very high	19 Å²	19	49.9 Å²	49.9	12%	0.117	27%	0.27	C	S	.	.	H	α-helix	trans	-63.9	-43	178.8	-60.5	0	0	0	0	111.1	K602 M667 V673 Q675 L679	K602-T671 PolarHBondContact NZ-O 2.89Å; M667-T671 VanDerWaalsContact O-CB 3.23Å; M667-T671 WeakPolarHBondContact O-CB 3.42Å; M667-T671 PolarHBondContact O-N 3.23Å; M667-T671 PolarHBondContact O-OG1 2.97Å; T671-V673 VanDerWaalsContact C-N 3.3Å; T671-V673 PolarHBondContact O-N 2.83Å; T671-Q675 HydrophobicContact CG2-CB 4.48Å; T671-Q675 HydrophobicContact CG2-CG 4.15Å; T671-Q675 WeakPolarHBondContact O-CB 3.44Å; T671-Q675 PolarHBondContact O-N 3.19Å; T671-L679 HydrophobicContact CG2-CD2 3.78Å
672	S	87.5	Confident	91.8	Very high	11 Å²	11	50.4 Å²	50.4	8%	0.077	27%	0.271	C	S	.	.	H	α-helix	trans	-61.6	-37.8	178.6	-61.9	0	0	0	0	112.2	F598 K602 L668 L669	F598-S672 WeakPolarHBondContact CB-OG 3.08Å; K602-S672 WeakPolarHBondContact CD-O 3.49Å; K602-S672 WeakPolarHBondContact CE-O 3.27Å; K602-S672 PolarHBondContact NZ-O 3.25Å; L668-S672 WeakPolarHBondContact O-CB 3.41Å; L668-S672 PolarHBondContact O-N 3.18Å; L668-S672 PolarHBondContact O-OG 3.02Å; L669-S672 PolarHBondContact O-N 3.3Å
673	V	87.7	Confident	92	Very high	104 Å²	104	49.7 Å²	49.7	63%	0.63	27%	0.266	S	S	*	.	H	α-helix	trans	-91.6	-44.1	-176	177.7	0	0	0	0	113.5	L669 L670 T671	L669-V673 HydrophobicContact CD1-CG2 4.16Å; L669-V673 WeakPolarHBondContact O-CG2 3.24Å; L669-V673 PolarHBondContact O-N 2.89Å; L670-V673 PolarHBondContact O-N 3.03Å; T671-V673 VanDerWaalsContact C-N 3.3Å; T671-V673 PolarHBondContact O-N 2.83Å
674	A	88.3	Confident	92.2	Very high	65 Å²	65	48.5 Å²	48.5	54%	0.537	26%	0.261	S	S	.	.	H	α-helix	trans	-97.6	-31.5	-164.5	0	0	0	0	0	115.2	L670	L670-A674 HydrophobicContact CD1-CB 3.95Å; L670-A674 VanDerWaalsContact O-CB 3.26Å; L670-A674 WeakPolarHBondContact O-CB 3.35Å; L670-A674 PolarHBondContact O-N 3Å
675	Q	90.6	Very high	92.5	Very high	99 Å²	99	49.1 Å²	49.1	46%	0.463	26%	0.264	S	S	.	.	S	Bend	trans	-74.1	157.5	178.5	-65.6	-60.6	-36	0	0	110.5	K602 T671	K602-Q675 WeakPolarHBondContact CE-O 3.44Å; K602-Q675 PolarHBondContact NZ-O 3.4Å; T671-Q675 HydrophobicContact CG2-CB 4.48Å; T671-Q675 HydrophobicContact CG2-CG 4.15Å; T671-Q675 WeakPolarHBondContact O-CB 3.44Å; T671-Q675 PolarHBondContact O-N 3.19Å
676	P	94.5	Very high	92.8	Very high	40 Å²	40	43.7 Å²	43.7	26%	0.26	24%	0.239	S	C	.	.	S	Bend	trans	-78.4	-33.7	170	28.8	-33	0	0	0	112.2	T608 E611	T608-P676 WeakPolarHBondContact CA-O 3.5Å; T608-P676 WeakPolarHBondContact CB-O 3.42Å; T608-P676 WeakPolarHBondContact CG2-O 3.23Å; T608-P676 PolarHBondContact OG1-O 2.98Å; E611-P676 HydrophobicContact CG-CB 3.89Å; E611-P676 HydrophobicContact CG-CG 4.31Å
677	H	94.4	Very high	93.2	Very high	53 Å²	53	40.6 Å²	40.6	25%	0.245	22%	0.22	C	C	.	.	S	Bend	trans	-66.6	151.4	178.8	-61	96.4	0	0	0	112.5	K602 E611 R683	K602-H677 PolarHBondContact NZ-O 2.91Å; E611-H677 IonicContact OE2-CD2 3.79Å; E611-H677 PolarHBondContact OE2-CD2 2.93Å; E611-H677 IonicContact OE2-CE1 3.4Å; E611-H677 IonicContact OE2-NE2 2.71Å; E611-H677 PolarHBondContact OE2-NE2 3.49Å; E611-H677 VanDerWaalsContact OE2-NE2 3.1Å; H677-R683 PolarHBondContact CD2-NH1 2.93Å; H677-R683 PolarHBondContact CD2-NH2 3.47Å
678	V	95.3	Very high	93.7	Very high	9 Å²	9	38.5 Å²	38.5	6%	0.055	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-79	167.1	161.2	-59.4	0	0	0	0	110.1	Y593 T599 T608 I612 F682 R683	Y593-V678 HydrophobicContact CD1-CG1 4.26Å; Y593-V678 HydrophobicContact CD1-CG2 4.13Å; Y593-V678 HydrophobicContact CE1-CG2 3.89Å; T599-V678 HydrophobicContact CG2-CB 4.25Å; T599-V678 HydrophobicContact CG2-CG1 3.95Å; T608-V678 HydrophobicContact CG2-CG1 3.84Å; I612-V678 HydrophobicContact CD1-CG1 4.4Å; V678-F682 HydrophobicContact CB-CB 4.36Å; V678-F682 HydrophobicContact CG2-CB 3.92Å; V678-R683 HydrophobicContact CG2-CG 3.63Å; V678-R683 WeakPolarHBondContact O-CD 3.36Å; V678-R683 WeakPolarHBondContact O-CG 3.45Å
679	L	95.5	Very high	94	Very high	19 Å²	19	37.6 Å²	37.6	10%	0.099	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-58.1	148.6	177.6	-59.3	172.6	0	0	0	111.4	F598 L668 T671 K681 F682 R683	F598-L679 HydrophobicContact CD2-CD1 4.18Å; L668-L679 HydrophobicContact CD1-CD1 3.46Å; L668-L679 VanDerWaalsContact CD1-CD1 3.46Å; L668-L679 HydrophobicContact CD1-CD2 3.9Å; L668-L679 HydrophobicContact CD1-CG 4.34Å; T671-L679 HydrophobicContact CG2-CD2 3.78Å; L679-K681 VanDerWaalsContact C-N 3.28Å; L679-K681 PolarHBondContact O-N 3.06Å; L679-F682 HydrophobicContact CB-CD2 4.03Å; L679-F682 HydrophobicContact CB-CE2 4.48Å; L679-F682 HydrophobicContact CD1-CD2 4.42Å; L679-F682 HydrophobicContact CD1-CE2 4.12Å; L679-F682 WeakPolarHBondContact O-CA 3.43Å; L679-F682 PolarHBondContact O-N 2.95Å; L679-R683 PolarHBondContact O-N 2.94Å
680	E	96.4	Very high	94.3	Very high	31 Å²	31	33.6 Å²	33.6	15%	0.145	18%	0.184	C	C	.	.	H	α-helix	trans	-43.5	-51	-179.2	-77.9	80.5	-173.5	0	0	112.6	T91 L659 H663 F682 R683 V684	T91-E680 VanDerWaalsContact CG2-OE1 3.28Å; T91-E680 WeakPolarHBondContact CG2-OE1 3.47Å; L659-E680 VanDerWaalsContact O-CB 3.3Å; L659-E680 WeakPolarHBondContact O-CB 3.33Å; H663-E680 IonicContact CD2-OE2 3.61Å; H663-E680 IonicContact CE1-OE2 3.95Å; H663-E680 IonicContact NE2-OE1 3.58Å; H663-E680 IonicContact NE2-OE2 3.07Å; H663-E680 PolarHBondContact NE2-OE2 2.79Å; E680-F682 VanDerWaalsContact C-N 3.28Å; E680-F682 PolarHBondContact O-N 2.9Å; E680-R683 WeakPolarHBondContact O-CB 3.21Å; E680-R683 PolarHBondContact O-N 2.77Å; E680-R683 VanDerWaalsContact O-N 3.08Å; E680-V684 PolarHBondContact O-N 2.96Å
681	K	96.8	Very high	94.6	Very high	74 Å²	74	29.6 Å²	29.6	32%	0.322	16%	0.164	S	C	.	.	H	α-helix	trans	-50.5	-45.4	175.4	179.3	167.3	-174.5	159.8	0	113.1	D68 Y70 L679 V684 T685	D68-K681 WeakPolarHBondContact OD2-CE 3.47Å; D68-K681 IonicContact OD2-NZ 3.68Å; D68-K681 PolarHBondContact OD2-NZ 3.34Å; Y70-K681 HydrophobicContact CD1-CB 4.06Å; Y70-K681 HydrophobicContact CD1-CD 4.02Å; Y70-K681 HydrophobicContact CD1-CG 3.81Å; Y70-K681 HydrophobicContact CD2-CB 4.21Å; Y70-K681 HydrophobicContact CD2-CG 4.37Å; Y70-K681 HydrophobicContact CE1-CB 4Å; Y70-K681 HydrophobicContact CE1-CD 4.41Å; Y70-K681 HydrophobicContact CE1-CG 4.23Å; Y70-K681 HydrophobicContact CE2-CB 4.13Å; Y70-K681 HydrophobicContact CG-CB 4.15Å; Y70-K681 HydrophobicContact CG-CG 3.87Å; L679-K681 VanDerWaalsContact C-N 3.28Å; L679-K681 PolarHBondContact O-N 3.06Å; K681-V684 PolarHBondContact O-N 3.15Å; K681-T685 VanDerWaalsContact O-CB 3.3Å; K681-T685 WeakPolarHBondContact O-CB 3.43Å; K681-T685 PolarHBondContact O-N 3.39Å; K681-T685 PolarHBondContact O-OG1 3.01Å; K681-T685 VanDerWaalsContact O-OG1 3.12Å
682	F	97	Very high	94.9	Very high	19 Å²	19	32.4 Å²	32.4	8%	0.083	18%	0.178	C	C	.	.	H	α-helix	trans	-82.8	-21.7	-177.5	-55.1	-49.1	0	0	0	113.1	Y593 Y596 D597 T599 V678 L679 E680 G686	Y593-F682 VanDerWaalsContact CE1-O 3.3Å; Y593-F682 WeakPolarHBondContact CE1-O 3.29Å; Y596-F682 AromaticContact CD1-CD1 3.75Å; Y596-F682 HydrophobicContact CD1-CD1 3.75Å; Y596-F682 AromaticContact CD1-CE1 3.86Å; Y596-F682 HydrophobicContact CD1-CE1 3.86Å; Y596-F682 HydrophobicContact CD2-CB 3.87Å; Y596-F682 AromaticContact CD2-CD1 3.71Å; Y596-F682 HydrophobicContact CD2-CD1 3.71Å; Y596-F682 AromaticContact CD2-CG 3.88Å; Y596-F682 HydrophobicContact CD2-CG 3.88Å; Y596-F682 HydrophobicContact CE1-CD1 4.41Å; Y596-F682 HydrophobicContact CE2-CB 4.44Å; Y596-F682 HydrophobicContact CE2-CD1 4.36Å; Y596-F682 HydrophobicContact CG-CB 4.36Å; Y596-F682 AromaticContact CG-CD1 3.37Å; Y596-F682 HydrophobicContact CG-CD1 3.37Å; Y596-F682 AromaticContact CG-CE1 3.74Å; Y596-F682 HydrophobicContact CG-CE1 3.74Å; Y596-F682 AromaticContact CG-CG 3.85Å; Y596-F682 HydrophobicContact CG-CG 3.85Å; Y596-F682 HydrophobicContact CG-CZ 4.46Å; D597-F682 HydrophobicContact CB-CE2 4.31Å; D597-F682 HydrophobicContact CB-CZ 4.06Å; D597-F682 WeakPolarHBondContact O-CE2 3.4Å; T599-F682 HydrophobicContact CG2-CD2 4.01Å; V678-F682 HydrophobicContact CB-CB 4.36Å; V678-F682 HydrophobicContact CG2-CB 3.92Å; L679-F682 HydrophobicContact CB-CD2 4.03Å; L679-F682 HydrophobicContact CB-CE2 4.48Å; L679-F682 HydrophobicContact CD1-CD2 4.42Å; L679-F682 HydrophobicContact CD1-CE2 4.12Å; L679-F682 WeakPolarHBondContact O-CA 3.43Å; L679-F682 PolarHBondContact O-N 2.95Å; E680-F682 VanDerWaalsContact C-N 3.28Å; E680-F682 PolarHBondContact O-N 2.9Å; F682-G686 WeakPolarHBondContact O-CA 3.38Å; F682-G686 PolarHBondContact O-N 2.89Å
683	R	97.7	Very high	95.3	Very high	23 Å²	23	34.9 Å²	34.9	9%	0.087	19%	0.186	C	C	.	.	H	α-helix	trans	-65.9	-39.9	166.9	-61.4	-173.1	70.6	-178.4	5.6	111.1	H550 D615 L659 H677 V678 L679 E680 V687	H550-R683 PolarHBondContact CE1-NH2 3.37Å; D615-R683 IonicContact OD1-CZ 3.73Å; D615-R683 IonicContact OD1-NE 2.74Å; D615-R683 IonicContact OD1-NH2 2.63Å; D615-R683 PolarHBondContact OD1-NH2 2.94Å; D615-R683 WeakPolarHBondContact OD2-CG 3.26Å; D615-R683 IonicContact OD2-CZ 2.98Å; D615-R683 IonicContact OD2-NE 3.75Å; D615-R683 PolarHBondContact OD2-NE 3.48Å; D615-R683 IonicContact OD2-NH2 2.63Å; L659-R683 HydrophobicContact CD1-CB 3.9Å; H677-R683 PolarHBondContact CD2-NH1 2.93Å; H677-R683 PolarHBondContact CD2-NH2 3.47Å; V678-R683 HydrophobicContact CG2-CG 3.63Å; V678-R683 WeakPolarHBondContact O-CD 3.36Å; V678-R683 WeakPolarHBondContact O-CG 3.45Å; L679-R683 PolarHBondContact O-N 2.94Å; E680-R683 WeakPolarHBondContact O-CB 3.21Å; E680-R683 PolarHBondContact O-N 2.77Å; E680-R683 VanDerWaalsContact O-N 3.08Å; R683-V687 WeakPolarHBondContact O-CB 3.35Å; R683-V687 WeakPolarHBondContact O-CG2 3.29Å
684	V	98.5	Very high	95.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-73.4	-60.6	175.3	176.9	0	0	0	0	110.9	F69 Y70 F655 A656 L659 E680 K681 G686 V687 L688	F69-V684 HydrophobicContact CD1-CG1 4.48Å; Y70-V684 HydrophobicContact CD2-CB 3.86Å; Y70-V684 HydrophobicContact CD2-CG1 4.2Å; Y70-V684 HydrophobicContact CD2-CG2 3.93Å; Y70-V684 HydrophobicContact CE2-CG2 4.28Å; F655-V684 HydrophobicContact CE1-CG1 4.3Å; A656-V684 HydrophobicContact CB-CG1 3.65Å; A656-V684 HydrophobicContact CB-CG2 4.34Å; L659-V684 HydrophobicContact CB-CG2 3.58Å; L659-V684 HydrophobicContact CD1-CG2 4.03Å; L659-V684 HydrophobicContact CG-CG2 4.49Å; E680-V684 PolarHBondContact O-N 2.96Å; K681-V684 PolarHBondContact O-N 3.15Å; V684-G686 PolarHBondContact O-N 2.92Å; V684-V687 PolarHBondContact O-N 2.91Å; V684-L688 HydrophobicContact CG1-CD1 3.75Å; V684-L688 HydrophobicContact CG1-CG 4.47Å; V684-L688 WeakPolarHBondContact O-CG 3.25Å; V684-L688 PolarHBondContact O-N 3.09Å
685	T	97.8	Very high	96.1	Very high	16 Å²	16	27.1 Å²	27.1	10%	0.098	13%	0.132	C	C	.	.	H	α-helix	trans	-60	-49.1	-173.7	-64.5	0	0	0	0	111.4	Y596 K681 V687 L688 V689 M706	Y596-T685 HydrophobicContact CE1-CG2 4.46Å; K681-T685 VanDerWaalsContact O-CB 3.3Å; K681-T685 WeakPolarHBondContact O-CB 3.43Å; K681-T685 PolarHBondContact O-N 3.39Å; K681-T685 PolarHBondContact O-OG1 3.01Å; K681-T685 VanDerWaalsContact O-OG1 3.12Å; T685-V687 PolarHBondContact O-N 2.91Å; T685-L688 PolarHBondContact O-N 3.39Å; T685-V689 HydrophobicContact CG2-CG1 4.18Å; T685-V689 WeakPolarHBondContact O-CG1 3.48Å; T685-V689 WeakPolarHBondContact O-CG2 3.29Å; T685-V689 PolarHBondContact O-N 2.82Å; T685-M706 HydrophobicContact CG2-CE 4.48Å; T685-M706 HydrophobicContact CG2-SD 4.02Å
686	G	96.5	Very high	96.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.5	-27.6	-177.4	0	0	0	0	0	113.7	Y593 N616 F682 V684 V689 N690	Y593-G686 WeakPolarHBondContact OH-CA 3.47Å; N616-G686 PolarHBondContact OD1-O 3.01Å; F682-G686 WeakPolarHBondContact O-CA 3.38Å; F682-G686 PolarHBondContact O-N 2.89Å; V684-G686 PolarHBondContact O-N 2.92Å; G686-V689 VanDerWaalsContact O-CG2 3.27Å; G686-V689 WeakPolarHBondContact O-CG2 3.44Å; G686-N690 PolarHBondContact O-ND2 2.64Å
687	V	97.7	Very high	96.4	Very high	2 Å²	2	29 Å²	29	1%	0.012	13%	0.13	C	C	.	.	H	α-helix	trans	-78.8	-42.8	174.2	172.7	0	0	0	0	111.7	Y593 D615 L619 F655 R683 V684 T685 N690	Y593-V687 PolarHBondContact OH-N 3.29Å; D615-V687 HydrophobicContact CB-CG2 3.62Å; L619-V687 HydrophobicContact CB-CG1 3.66Å; L619-V687 HydrophobicContact CD2-CG1 3.28Å; L619-V687 HydrophobicContact CG-CG1 4.07Å; F655-V687 HydrophobicContact CE1-CB 4.28Å; F655-V687 HydrophobicContact CE1-CG1 4.21Å; F655-V687 HydrophobicContact CZ-CB 4.01Å; F655-V687 HydrophobicContact CZ-CG1 4.01Å; F655-V687 HydrophobicContact CZ-CG2 4.31Å; R683-V687 WeakPolarHBondContact O-CB 3.35Å; R683-V687 WeakPolarHBondContact O-CG2 3.29Å; V684-V687 PolarHBondContact O-N 2.91Å; T685-V687 PolarHBondContact O-N 2.91Å; V687-N690 PolarHBondContact O-N 2.92Å
688	L	98	Very high	96.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-72.6	-33.2	-174.4	-66.3	179.7	0	0	0	112.9	F69 L619 F652 F655 V684 T685 N690 N691 F694 M706	F69-L688 HydrophobicContact CB-CD1 4.29Å; F69-L688 HydrophobicContact CD1-CD1 3.21Å; F69-L688 HydrophobicContact CE1-CD1 3.76Å; F69-L688 HydrophobicContact CG-CD1 3.93Å; L619-L688 HydrophobicContact CD2-CD2 3.84Å; F652-L688 HydrophobicContact CD1-CD2 3.59Å; F652-L688 HydrophobicContact CE1-CD2 4.22Å; F652-L688 HydrophobicContact CG-CD2 4.34Å; F655-L688 HydrophobicContact CD1-CD2 3.94Å; F655-L688 HydrophobicContact CD1-CG 4.32Å; F655-L688 HydrophobicContact CE1-CD1 4.44Å; F655-L688 HydrophobicContact CE1-CD2 3.95Å; F655-L688 HydrophobicContact CE1-CG 3.98Å; V684-L688 HydrophobicContact CG1-CD1 3.75Å; V684-L688 HydrophobicContact CG1-CG 4.47Å; V684-L688 WeakPolarHBondContact O-CG 3.25Å; V684-L688 PolarHBondContact O-N 3.09Å; T685-L688 PolarHBondContact O-N 3.39Å; L688-N690 PolarHBondContact O-N 3.46Å; L688-N691 PolarHBondContact O-N 3.37Å; L688-F694 HydrophobicContact CB-CD1 3.92Å; L688-F694 HydrophobicContact CB-CD2 4.37Å; L688-F694 HydrophobicContact CB-CE1 4.24Å; L688-F694 HydrophobicContact CB-CG 4.02Å; L688-F694 HydrophobicContact CD1-CD2 4.06Å; L688-F694 HydrophobicContact CD1-CE2 3.98Å; L688-F694 HydrophobicContact CD1-CZ 4.42Å; L688-F694 HydrophobicContact CD2-CB 4.01Å; L688-F694 HydrophobicContact CD2-CD2 3.86Å; L688-F694 HydrophobicContact CD2-CG 3.88Å; L688-F694 HydrophobicContact CG-CD2 4.31Å; L688-F694 HydrophobicContact CG-CG 4.35Å; L688-M706 HydrophobicContact CB-CE 3.69Å; L688-M706 HydrophobicContact CD1-CE 4.36Å
689	V	96.7	Very high	96.5	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.042	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-26	174.3	-65	0	0	0	0	112.9	Q592 T685 G686 N691 M706 P708	Q592-V689 VanDerWaalsContact NE2-CG2 3.28Å; T685-V689 HydrophobicContact CG2-CG1 4.18Å; T685-V689 WeakPolarHBondContact O-CG1 3.48Å; T685-V689 WeakPolarHBondContact O-CG2 3.29Å; T685-V689 PolarHBondContact O-N 2.82Å; G686-V689 VanDerWaalsContact O-CG2 3.27Å; G686-V689 WeakPolarHBondContact O-CG2 3.44Å; V689-N691 VanDerWaalsContact C-N 3.34Å; V689-M706 HydrophobicContact CG1-CE 4.25Å; V689-M706 HydrophobicContact CG1-SD 4.29Å; V689-P708 HydrophobicContact CB-CG 4.32Å; V689-P708 WeakPolarHBondContact O-CD 3.24Å
690	N	96	Very high	96.6	Very high	20 Å²	20	28.9 Å²	28.9	11%	0.107	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	18	176.7	-62.2	-53.3	0	0	0	112.5	L589 Q592 N616 G686 V687 L688 C712	L589-N690 WeakPolarHBondContact CD2-ND2 3.27Å; Q592-N690 PolarHBondContact NE2-OD1 2.76Å; Q592-N690 PolarHBondContact OE1-ND2 3.44Å; Q592-N690 PolarHBondContact OE1-OD1 3.46Å; N616-N690 PolarHBondContact OD1-ND2 3.26Å; G686-N690 PolarHBondContact O-ND2 2.64Å; V687-N690 PolarHBondContact O-N 2.92Å; L688-N690 PolarHBondContact O-N 3.46Å; N690-C712 PolarHBondContact OD1-N 3.33Å
691	N	95.5	Very high	96.6	Very high	11 Å²	11	30.2 Å²	30.2	6%	0.059	16%	0.156	C	C	.	.			trans	-125.4	90.2	-176.8	-165.2	-47.8	0	0	0	111	L688 V689 R693 F694 A695	L688-N691 PolarHBondContact O-N 3.37Å; V689-N691 VanDerWaalsContact C-N 3.34Å; N691-R693 PolarHBondContact O-N 3.21Å; N691-R693 WeakPolarHBondContact OD1-CB 3.48Å; N691-R693 PolarHBondContact OD1-N 2.85Å; N691-R693 VanDerWaalsContact OD1-N 3.13Å; N691-F694 HydrophobicContact CB-CB 4.14Å; N691-F694 VanDerWaalsContact O-CB 3.31Å; N691-F694 WeakPolarHBondContact O-CB 2.99Å; N691-F694 PolarHBondContact O-N 3.21Å; N691-F694 PolarHBondContact OD1-N 3.35Å; N691-F694 VanDerWaalsContact OD1-N 3.15Å; N691-A695 PolarHBondContact O-N 3.46Å
692	N	94.5	Very high	96.5	Very high	78 Å²	78	31.7 Å²	31.7	42%	0.417	17%	0.171	S	C	.	.	H	α-helix	trans	-54.5	-21.7	176.5	62.6	20.4	0	0	0	115.3	R696 E711	N692-R696 WeakPolarHBondContact O-CB 3.44Å; N692-R696 PolarHBondContact O-N 2.97Å; N692-E711 WeakPolarHBondContact CB-OE1 3.46Å
693	R	95.2	Very high	96.4	Very high	63 Å²	63	33.2 Å²	33.2	24%	0.238	19%	0.192	C	C	.	.	H	α-helix	trans	-77.5	-33.5	177.2	-55	-169.4	174.5	61.2	24.8	111.8	Y623 Y624 F652 N691 R696 A697	Y623-R693 VanDerWaalsContact CD1-CD 3.47Å; Y623-R693 HydrophobicContact CE1-CB 4.29Å; Y623-R693 HydrophobicContact CE1-CG 4.23Å; Y623-R693 HydrophobicContact CE2-CB 4.38Å; Y623-R693 VanDerWaalsContact CZ-CD 3.48Å; Y624-R693 VanDerWaalsContact CE1-CZ 3.46Å; Y624-R693 VanDerWaalsContact CZ-NH1 3.26Å; Y624-R693 VanDerWaalsContact CZ-NH2 3.34Å; Y624-R693 PolarHBondContact OH-NH1 3.47Å; Y624-R693 VanDerWaalsContact OH-NH1 3.08Å; Y624-R693 PolarHBondContact OH-NH2 2.93Å; F652-R693 HydrophobicContact CZ-CB 4.1Å; N691-R693 PolarHBondContact O-N 3.21Å; N691-R693 WeakPolarHBondContact OD1-CB 3.48Å; N691-R693 PolarHBondContact OD1-N 2.85Å; N691-R693 VanDerWaalsContact OD1-N 3.13Å; R693-R696 PolarHBondContact O-N 3.35Å; R693-A697 VanDerWaalsContact O-CB 3.3Å; R693-A697 WeakPolarHBondContact O-CB 3.42Å; R693-A697 PolarHBondContact O-N 3.22Å
694	F	97.6	Very high	96.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-52	167.6	159.8	-93.8	0	0	0	110	F69 F652 L688 N691 R696 A697 Y698 M706	F69-F694 HydrophobicContact CB-CE2 4.28Å; F69-F694 HydrophobicContact CB-CZ 3.9Å; F69-F694 HydrophobicContact CD1-CE2 4.01Å; F69-F694 HydrophobicContact CD1-CZ 4.48Å; F69-F694 AromaticContact CD2-CE2 3.46Å; F69-F694 HydrophobicContact CD2-CE2 3.46Å; F69-F694 VanDerWaalsContact CD2-CE2 3.46Å; F69-F694 AromaticContact CD2-CZ 3.68Å; F69-F694 HydrophobicContact CD2-CZ 3.68Å; F69-F694 HydrophobicContact CE1-CE2 4.19Å; F69-F694 AromaticContact CE2-CE2 3.74Å; F69-F694 HydrophobicContact CE2-CE2 3.74Å; F69-F694 HydrophobicContact CE2-CZ 4.38Å; F69-F694 AromaticContact CG-CE2 3.62Å; F69-F694 HydrophobicContact CG-CE2 3.62Å; F69-F694 AromaticContact CG-CZ 3.75Å; F69-F694 HydrophobicContact CG-CZ 3.75Å; F69-F694 HydrophobicContact CZ-CE2 4.08Å; F652-F694 HydrophobicContact CB-CD2 4.01Å; F652-F694 HydrophobicContact CD1-CB 3.92Å; F652-F694 HydrophobicContact CD1-CD2 4.3Å; F652-F694 HydrophobicContact CD2-CB 4.08Å; F652-F694 HydrophobicContact CD2-CD2 4.17Å; F652-F694 HydrophobicContact CE1-CB 3.75Å; F652-F694 HydrophobicContact CE2-CB 3.94Å; F652-F694 HydrophobicContact CG-CB 4.1Å; F652-F694 AromaticContact CG-CD2 3.91Å; F652-F694 HydrophobicContact CG-CD2 3.91Å; F652-F694 HydrophobicContact CZ-CB 3.76Å; F652-F694 VanDerWaalsContact CZ-N 3.33Å; L688-F694 HydrophobicContact CB-CD1 3.92Å; L688-F694 HydrophobicContact CB-CD2 4.37Å; L688-F694 HydrophobicContact CB-CE1 4.24Å; L688-F694 HydrophobicContact CB-CG 4.02Å; L688-F694 HydrophobicContact CD1-CD2 4.06Å; L688-F694 HydrophobicContact CD1-CE2 3.98Å; L688-F694 HydrophobicContact CD1-CZ 4.42Å; L688-F694 HydrophobicContact CD2-CB 4.01Å; L688-F694 HydrophobicContact CD2-CD2 3.86Å; L688-F694 HydrophobicContact CD2-CG 3.88Å; L688-F694 HydrophobicContact CG-CD2 4.31Å; L688-F694 HydrophobicContact CG-CG 4.35Å; N691-F694 HydrophobicContact CB-CB 4.14Å; N691-F694 VanDerWaalsContact O-CB 3.31Å; N691-F694 WeakPolarHBondContact O-CB 2.99Å; N691-F694 PolarHBondContact O-N 3.21Å; N691-F694 PolarHBondContact OD1-N 3.35Å; N691-F694 VanDerWaalsContact OD1-N 3.15Å; F694-R696 PolarHBondContact O-N 2.99Å; F694-A697 PolarHBondContact O-N 3.09Å; F694-Y698 AromaticContact CD2-CD2 3.62Å; F694-Y698 HydrophobicContact CD2-CD2 3.62Å; F694-Y698 HydrophobicContact CD2-CE2 4.03Å; F694-Y698 AromaticContact CE2-CD2 3.43Å; F694-Y698 HydrophobicContact CE2-CD2 3.43Å; F694-Y698 VanDerWaalsContact CE2-CD2 3.43Å; F694-Y698 AromaticContact CE2-CE2 3.87Å; F694-Y698 HydrophobicContact CE2-CE2 3.87Å; F694-Y698 HydrophobicContact CE2-CG 4.01Å; F694-Y698 HydrophobicContact CZ-CD2 4.28Å; F694-Y698 HydrophobicContact CZ-CG 4.48Å; F694-Y698 PolarHBondContact O-N 2.82Å; F694-M706 HydrophobicContact CE1-CB 3.91Å; F694-M706 HydrophobicContact CE1-CE 3.94Å; F694-M706 HydrophobicContact CZ-CB 4.42Å; F694-M706 HydrophobicContact CZ-CE 4.08Å
695	A	96.6	Very high	96.1	Very high	5 Å²	5	36.2 Å²	36.2	4%	0.041	21%	0.214	C	C	.	.	H	α-helix	trans	-56.5	-40.5	178.8	0	0	0	0	0	111.6	N691 G699 C700 N707	N691-A695 PolarHBondContact O-N 3.46Å; A695-G699 CarbonylContact O-C 3.17Å; A695-G699 WeakPolarHBondContact O-CA 3.41Å; A695-G699 PolarHBondContact O-N 3.28Å; A695-C700 HydrophobicContact CB-CB 4.25Å; A695-C700 PolarHBondContact O-N 3.09Å; A695-N707 HydrophobicContact CB-CB 3.8Å; A695-N707 VanDerWaalsContact CB-CG 3.47Å
696	R	95.1	Very high	96.1	Very high	178 Å²	178	35.6 Å²	35.6	67%	0.672	21%	0.21	S	C	*	.	H	α-helix	trans	-65.9	-45.7	173.7	-174.5	-179.5	-176.9	-177.6	1.8	113.2	N692 R693 F694 Y698 G699	N692-R696 WeakPolarHBondContact O-CB 3.44Å; N692-R696 PolarHBondContact O-N 2.97Å; R693-R696 PolarHBondContact O-N 3.35Å; F694-R696 PolarHBondContact O-N 2.99Å; R696-Y698 PolarHBondContact O-N 2.91Å; R696-G699 PolarHBondContact O-N 3.24Å
697	A	96.2	Very high	96.1	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.008	21%	0.214	C	C	.	.	H	α-helix	trans	-60.2	-38.6	-178.3	0	0	0	0	0	111.5	D648 R649 F652 R693 F694	D648-A697 HydrophobicContact CB-CB 3.92Å; R649-A697 HydrophobicContact CG-CB 4.32Å; R649-A697 PolarHBondContact NE-O 2.76Å; R649-A697 PolarHBondContact NH2-O 3.44Å; F652-A697 HydrophobicContact CD2-CB 4.09Å; F652-A697 HydrophobicContact CE2-CB 4Å; R693-A697 VanDerWaalsContact O-CB 3.3Å; R693-A697 WeakPolarHBondContact O-CB 3.42Å; R693-A697 PolarHBondContact O-N 3.22Å; F694-A697 PolarHBondContact O-N 3.09Å
698	Y	96.5	Very high	95.9	Very high	14 Å²	14	37.9 Å²	37.9	6%	0.055	22%	0.224	C	C	.	.	H	α-helix	trans	-97.3	-5.1	-178.2	-81.1	-84.4	0	0	0	114.8	H65 F69 R649 F652 F694 R696	H65-Y698 HydrophobicContact CB-CD1 4.34Å; H65-Y698 AromaticContact CD2-CD1 3.51Å; H65-Y698 AromaticContact CD2-CG 3.9Å; H65-Y698 AromaticContact CG-CD1 3.85Å; H65-Y698 AromaticContact NE2-CD1 3.75Å; H65-Y698 PolarHBondContact NE2-O 3.21Å; F69-Y698 HydrophobicContact CD2-CE1 4.46Å; F69-Y698 HydrophobicContact CE2-CD1 4.04Å; F69-Y698 HydrophobicContact CE2-CD2 4.2Å; F69-Y698 AromaticContact CE2-CE1 3.52Å; F69-Y698 HydrophobicContact CE2-CE1 3.52Å; F69-Y698 AromaticContact CE2-CE2 3.7Å; F69-Y698 HydrophobicContact CE2-CE2 3.7Å; F69-Y698 HydrophobicContact CE2-CG 4.35Å; F69-Y698 AromaticContact CE2-CZ 3.31Å; F69-Y698 HydrophobicContact CZ-CE1 4.25Å; F69-Y698 AromaticContact CZ-CE2 3.87Å; F69-Y698 HydrophobicContact CZ-CE2 3.87Å; F69-Y698 AromaticContact CZ-CZ 3.6Å; F69-Y698 WeakPolarHBondContact CZ-OH 3.42Å; R649-Y698 HydrophobicContact CB-CE1 4.36Å; R649-Y698 HydrophobicContact CB-CE2 4.03Å; R649-Y698 HydrophobicContact CG-CD1 4.36Å; R649-Y698 HydrophobicContact CG-CD2 4.2Å; R649-Y698 HydrophobicContact CG-CE1 4.04Å; R649-Y698 HydrophobicContact CG-CE2 3.87Å; R649-Y698 HydrophobicContact CG-CG 4.44Å; R649-Y698 PolarHBondContact O-OH 3.28Å; F652-Y698 HydrophobicContact CB-CE2 4.05Å; F652-Y698 HydrophobicContact CD2-CE2 4.41Å; F694-Y698 AromaticContact CD2-CD2 3.62Å; F694-Y698 HydrophobicContact CD2-CD2 3.62Å; F694-Y698 HydrophobicContact CD2-CE2 4.03Å; F694-Y698 AromaticContact CE2-CD2 3.43Å; F694-Y698 HydrophobicContact CE2-CD2 3.43Å; F694-Y698 VanDerWaalsContact CE2-CD2 3.43Å; F694-Y698 AromaticContact CE2-CE2 3.87Å; F694-Y698 HydrophobicContact CE2-CE2 3.87Å; F694-Y698 HydrophobicContact CE2-CG 4.01Å; F694-Y698 HydrophobicContact CZ-CD2 4.28Å; F694-Y698 HydrophobicContact CZ-CG 4.48Å; F694-Y698 PolarHBondContact O-N 2.82Å; R696-Y698 PolarHBondContact O-N 2.91Å
699	G	95.4	Very high	95.6	Very high	57 Å²	57	45.7 Å²	45.7	59%	0.588	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	34.5	178.8	0	0	0	0	0	113.7	A695 R696	A695-G699 CarbonylContact O-C 3.17Å; A695-G699 WeakPolarHBondContact O-CA 3.41Å; A695-G699 PolarHBondContact O-N 3.28Å; R696-G699 PolarHBondContact O-N 3.24Å
700	C	96.4	Very high	95.2	Very high	8 Å²	8	50.6 Å²	50.6	5%	0.054	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-77.1	121.3	179.7	-60	0	0	0	0	111.4	C66 A695 N707	C66-C700 WeakPolarHBondContact CA-SG 3.16Å; C66-C700 HydrophobicContact CB-CB 3.68Å; C66-C700 WeakPolarHBondContact CB-SG 3.08Å; C66-C700 WeakPolarHBondContact SG-CA 3.25Å; C66-C700 WeakPolarHBondContact SG-CB 3.38Å; C66-C700 CovalentContact SG-SG 2.04Å; C66-C700 PolarHBondContact SG-SG 3.3Å; A695-C700 HydrophobicContact CB-CB 4.25Å; A695-C700 PolarHBondContact O-N 3.09Å; C700-N707 HydrophobicContact CB-CB 3.89Å; C700-N707 PolarHBondContact O-ND2 3.46Å
701	P	96.3	Very high	94.8	Very high	59 Å²	59	52.9 Å²	52.9	38%	0.383	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-69.3	147.3	179.7	28.5	-32.6	0	0	0	110.7	V62 G703 S704	V62-P701 HydrophobicContact CG2-CG 4.12Å; P701-G703 PolarHBondContact O-N 3.16Å; P701-S704 WeakPolarHBondContact O-CB 3.38Å; P701-S704 PolarHBondContact O-N 3.23Å; P701-S704 PolarHBondContact O-OG 3.16Å
702	V	95.7	Very high	94.6	Very high	105 Å²	105	52.8 Å²	52.8	64%	0.636	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	133.9	174	176.8	0	0	0	0	109.2	N707 E709	V702-N707 CarbonylContact C-O 3.57Å; V702-N707 WeakPolarHBondContact CA-O 3.21Å; V702-N707 PolarHBondContact N-ND2 3.07Å; V702-E709 HydrophobicContact CG1-CB 4.46Å; V702-E709 HydrophobicContact CG1-CG 3.81Å
703	G	94.5	Very high	94.1	Very high	51 Å²	51	54.2 Å²	54.2	53%	0.526	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	-10.5	-174.3	0	0	0	0	0	114	P701 N707	P701-G703 PolarHBondContact O-N 3.16Å; G703-N707 PolarHBondContact N-O 3.36Å
704	S	95.7	Very high	93.4	Very high	8 Å²	8	51.5 Å²	51.5	6%	0.056	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-66.2	153.6	166.6	67.3	0	0	0	0	111.3	P701 M706 N707	P701-S704 WeakPolarHBondContact O-CB 3.38Å; P701-S704 PolarHBondContact O-N 3.23Å; P701-S704 PolarHBondContact O-OG 3.16Å; S704-M706 PolarHBondContact O-N 3.33Å; S704-M706 VanDerWaalsContact O-N 3.14Å; S704-N707 CarbonylContact O-C 3.52Å; S704-N707 PolarHBondContact O-N 3.28Å; S704-N707 WeakPolarHBondContact OG-CB 3.08Å; S704-N707 PolarHBondContact OG-N 3.37Å
705	P	95.1	Very high	92.1	Very high	78 Å²	78	53.2 Å²	53.2	51%	0.506	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-36.3	179.8	-30	36.5	0	0	0	114.5	C66 I67	C66-P705 WeakPolarHBondContact O-CD 3.37Å; I67-P705 HydrophobicContact CG2-CG 4.47Å; I67-P705 WeakPolarHBondContact O-CB 3.37Å
706	M	96.6	Very high	91.9	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.015	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	5	179	-62.4	-63.2	-52	0	0	114.3	C66 F69 T685 L688 V689 F694 S704	C66-M706 WeakPolarHBondContact O-CB 3.35Å; C66-M706 WeakPolarHBondContact O-CG 3.17Å; C66-M706 PolarHBondContact O-N 2.94Å; C66-M706 VanDerWaalsContact O-N 3.1Å; F69-M706 HydrophobicContact CB-CE 3.64Å; F69-M706 HydrophobicContact CB-CG 4.39Å; F69-M706 HydrophobicContact CB-SD 4.18Å; T685-M706 HydrophobicContact CG2-CE 4.48Å; T685-M706 HydrophobicContact CG2-SD 4.02Å; L688-M706 HydrophobicContact CB-CE 3.69Å; L688-M706 HydrophobicContact CD1-CE 4.36Å; V689-M706 HydrophobicContact CG1-CE 4.25Å; V689-M706 HydrophobicContact CG1-SD 4.29Å; F694-M706 HydrophobicContact CE1-CB 3.91Å; F694-M706 HydrophobicContact CE1-CE 3.94Å; F694-M706 HydrophobicContact CZ-CB 4.42Å; F694-M706 HydrophobicContact CZ-CE 4.08Å; S704-M706 PolarHBondContact O-N 3.33Å; S704-M706 VanDerWaalsContact O-N 3.14Å
707	N	96.6	Very high	91.7	Very high	14 Å²	14	49.2 Å²	49.2	8%	0.075	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-148.4	71.3	174.2	-174.4	21.5	0	0	0	110.6	A695 C700 V702 G703 S704	A695-N707 HydrophobicContact CB-CB 3.8Å; A695-N707 VanDerWaalsContact CB-CG 3.47Å; C700-N707 HydrophobicContact CB-CB 3.89Å; C700-N707 PolarHBondContact O-ND2 3.46Å; V702-N707 CarbonylContact C-O 3.57Å; V702-N707 WeakPolarHBondContact CA-O 3.21Å; V702-N707 PolarHBondContact N-ND2 3.07Å; G703-N707 PolarHBondContact N-O 3.36Å; S704-N707 CarbonylContact O-C 3.52Å; S704-N707 PolarHBondContact O-N 3.28Å; S704-N707 WeakPolarHBondContact OG-CB 3.08Å; S704-N707 PolarHBondContact OG-N 3.37Å
708	P	94	Very high	91.5	Very high	36 Å²	36	51.9 Å²	51.9	23%	0.234	32%	0.316	C	S	.	.			trans	-65.3	159	-178.7	29.4	-35.9	0	0	0	112.3	V689 V710	V689-P708 HydrophobicContact CB-CG 4.32Å; V689-P708 WeakPolarHBondContact O-CD 3.24Å; P708-V710 VanDerWaalsContact C-N 3.26Å; P708-V710 PolarHBondContact O-N 3.3Å
709	E	91.8	Very high	91.2	Very high	164 Å²	164	54.1 Å²	54.1	77%	0.766	33%	0.331	S	S	*	.	S	Bend	trans	-64.7	-30.8	176.3	-68.9	-177.3	178.6	0	0	113.3	V702	V702-E709 HydrophobicContact CG1-CB 4.46Å; V702-E709 HydrophobicContact CG1-CG 3.81Å
710	V	88.9	Confident	90.9	Very high	109 Å²	109	53.9 Å²	53.9	66%	0.661	32%	0.315	S	S	*	.	S	Bend	trans	-112	108.2	179.8	-177.7	0	0	0	0	108.8	P708	P708-V710 VanDerWaalsContact C-N 3.26Å; P708-V710 PolarHBondContact O-N 3.3Å
711	E	87.4	Confident	90.6	Very high	68 Å²	68	57 Å²	57	32%	0.318	33%	0.333	S	S	.	.			trans	-92.8	143.4	171.1	-63.4	177.3	-163.3	0	0	110.3	N692	N692-E711 WeakPolarHBondContact CB-OE1 3.46Å
712	C	90.6	Very high	90.1	Very high	10 Å²	10	56.9 Å²	56.9	7%	0.068	33%	0.329	C	S	.	.			trans	-93.7	119.8	170.6	-65.3	0	0	0	0	110.1	C588 L589 N690	C588-C712 HydrophobicContact CB-CB 3.75Å; C588-C712 WeakPolarHBondContact CB-SG 3.41Å; C588-C712 PolarHBondContact O-SG 3.41Å; C588-C712 VanDerWaalsContact SG-CA 3.55Å; C588-C712 WeakPolarHBondContact SG-CB 3.34Å; C588-C712 CovalentContact SG-SG 2.04Å; C588-C712 PolarHBondContact SG-SG 3.03Å; L589-C712 HydrophobicContact CD2-CB 3.51Å; L589-C712 HydrophobicContact CG-CB 3.89Å; N690-C712 PolarHBondContact OD1-N 3.33Å
713	D	84.6	Confident	89.7	Confident	108 Å²	108	53.2 Å²	53.2	58%	0.578	31%	0.306	S	S	*	.			trans	-125	131.5	174.2	-166	13.3	0	0	0	111.2	K620	K620-D713 IonicContact NZ-OD1 3.19Å; K620-D713 PolarHBondContact NZ-OD1 3.19Å; K620-D713 IonicContact NZ-OD2 3.13Å; K620-D713 PolarHBondContact NZ-OD2 3.48Å
714	V	78.9	Confident	89.3	Confident	6 Å²	6	53.3 Å²	53.3	4%	0.036	29%	0.287	C	S	.	.			trans	-110.9	-42.7	-175.8	-179.3	0	0	0	0	112.4	W426 K585 L589 L613	W426-V714 PolarHBondContact NE1-O 2.75Å; K585-V714 HydrophobicContact CB-CB 4.49Å; K585-V714 HydrophobicContact CB-CG1 3.65Å; K585-V714 HydrophobicContact CB-CG2 4.36Å; K585-V714 WeakPolarHBondContact O-CG2 3.45Å; L589-V714 HydrophobicContact CD1-CG2 3.72Å; L589-V714 HydrophobicContact CG-CG2 4.41Å; L613-V714 HydrophobicContact CD2-CB 4.08Å; L613-V714 HydrophobicContact CD2-CG1 3.79Å; L613-V714 HydrophobicContact CD2-CG2 3.87Å
715	W	71.5	Confident	88.7	Confident	36 Å²	36	57.5 Å²	57.5	14%	0.136	31%	0.308	C	S	.	.			trans	-115	0	-168.7	-77	77.1	0	0	0	115.6	I421 I424 M435 I556 N617 K620	I421-W715 HydrophobicContact CG1-CZ3 4.44Å; I424-W715 HydrophobicContact CD1-CD2 4.18Å; I424-W715 HydrophobicContact CD1-CE3 3.2Å; I424-W715 HydrophobicContact CD1-CH2 4.24Å; I424-W715 HydrophobicContact CD1-CZ3 3.23Å; I424-W715 HydrophobicContact CG1-CE3 4.21Å; M435-W715 HydrophobicContact CE-CH2 3.42Å; M435-W715 VanDerWaalsContact CE-CH2 3.42Å; M435-W715 HydrophobicContact CE-CZ2 4.05Å; M435-W715 HydrophobicContact CE-CZ3 4.3Å; M435-W715 HydrophobicContact SD-CH2 3.37Å; M435-W715 WeakPolarHBondContact SD-CH2 3.44Å; M435-W715 HydrophobicContact SD-CZ2 4.49Å; M435-W715 HydrophobicContact SD-CZ3 3.7Å; I556-W715 HydrophobicContact CB-CH2 3.77Å; I556-W715 HydrophobicContact CB-CZ2 4.39Å; I556-W715 HydrophobicContact CD1-CE3 4.23Å; I556-W715 HydrophobicContact CD1-CH2 3.55Å; I556-W715 HydrophobicContact CD1-CZ2 4.34Å; I556-W715 HydrophobicContact CD1-CZ3 3.48Å; I556-W715 VanDerWaalsContact CD1-CZ3 3.48Å; I556-W715 HydrophobicContact CG1-CH2 3.59Å; I556-W715 HydrophobicContact CG1-CZ2 4.07Å; I556-W715 HydrophobicContact CG1-CZ3 4.09Å; I556-W715 WeakPolarHBondContact O-CH2 3.34Å; I556-W715 WeakPolarHBondContact O-CZ2 3.33Å; N617-W715 HydrophobicContact CB-CB 4.35Å; N617-W715 HydrophobicContact CB-CG 4.21Å; N617-W715 PolarHBondContact ND2-NE1 3.12Å; N617-W715 WeakPolarHBondContact OD1-CB 3Å; K620-W715 PolarHBondContact NZ-O 2.93Å

Retrieved 715 of 715 residues in 2388.5 ms (Link to these results)

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