A0A5K4F0A5_SCHMA Loading...

choline-phosphate cytidylyltransferase

AlphaFold DB , UniProt , Accession A0A5K4F0A5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 510 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	31.1	Very low	245 Å²	245	158 Å²	158	100%	1.207	83%	0.833	S	S	*	*				0	103.6	0	-76.4	-172.2	164.8	0	0	107.7
2	I	31.6	Very low	31.2	Very low	163 Å²	163	152.5 Å²	152.5	84%	0.836	82%	0.817	S	S	*	*			trans	-117.5	130.8	174.7	-62.9	177.8	0	0	0	105.8
3	P	34.2	Very low	31.4	Very low	105 Å²	105	152 Å²	152	68%	0.682	82%	0.823	S	S	*	*			trans	-79.3	143.8	-157.3	30.8	-33.7	0	0	0	112.7	I5	P3-I5 PolarHBondContact O-N 3.41Å
4	I	29.6	Very low	31.2	Very low	166 Å²	166	153 Å²	153	85%	0.851	82%	0.819	S	S	*	*			trans	-72	107.2	170.3	-60.2	168.5	0	0	0	107.2
5	I	34	Very low	31.6	Very low	155 Å²	155	147.4 Å²	147.4	80%	0.795	80%	0.803	S	S	*	*			trans	-90.6	103.7	166.2	-62.4	176.6	0	0	0	106.9	P3	P3-I5 PolarHBondContact O-N 3.41Å
6	S	24.8	Very low	32.1	Very low	93 Å²	93	146.8 Å²	146.8	65%	0.65	81%	0.805	S	S	*	*			trans	-87.2	122.4	162.6	178.6	0	0	0	0	107.9
7	T	29.7	Very low	32.5	Very low	110 Å²	110	145.7 Å²	145.7	68%	0.675	80%	0.798	S	S	*	*			trans	168.7	118.8	131	32.2	0	0	0	0	111
8	D	27.6	Very low	33	Very low	154 Å²	154	141.8 Å²	141.8	82%	0.824	80%	0.797	S	S	*	*			trans	8.2	107	145.2	-52	-35	0	0	0	117.9
9	H	32.8	Very low	34.2	Very low	181 Å²	181	141.8 Å²	141.8	84%	0.838	78%	0.783	S	S	*	*			trans	-137	117.8	150.5	-93.1	-73.2	0	0	0	109.8	L11	H9-L11 PolarHBondContact O-N 2.93Å
10	E	32.5	Very low	35.4	Very low	194 Å²	194	141.5 Å²	141.5	91%	0.907	77%	0.774	S	S	*	*			trans	-51.5	118.4	171.3	-80.3	176.2	128.7	0	0	110.7	S12	E10-S12 PolarHBondContact O-N 3.38Å; E10-S12 VanDerWaalsContact O-N 3.16Å
11	L	29.7	Very low	36.7	Very low	172 Å²	172	140.4 Å²	140.4	90%	0.901	76%	0.759	S	S	*	*			trans	-75.9	91.8	169.3	-75.7	158.8	0	0	0	109.3	H9	H9-L11 PolarHBondContact O-N 2.93Å
12	S	32.5	Very low	38.2	Very low	92 Å²	92	132 Å²	132	64%	0.643	72%	0.719	S	S	*	*			trans	-82.2	118.6	149.6	54.5	0	0	0	0	107.9	E10 E14	E10-S12 PolarHBondContact O-N 3.38Å; E10-S12 VanDerWaalsContact O-N 3.16Å; S12-E14 VanDerWaalsContact C-N 3.32Å; S12-E14 PolarHBondContact O-N 3.35Å
13	V	33.1	Very low	39.5	Very low	146 Å²	146	135.2 Å²	135.2	89%	0.885	72%	0.722	S	S	*	*			trans	-66.7	92.3	174.6	-177.5	0	0	0	0	108	A15	V13-A15 PolarHBondContact O-N 3.4Å
14	E	29.5	Very low	40.5	Very low	166 Å²	166	137 Å²	137	78%	0.776	73%	0.726	S	S	*	*			trans	-71.4	108.2	166.8	-76	-176.9	158.9	0	0	107.9	S12 T16	S12-E14 VanDerWaalsContact C-N 3.32Å; S12-E14 PolarHBondContact O-N 3.35Å; E14-T16 PolarHBondContact O-N 3.07Å
15	A	36.1	Very low	41.7	Very low	69 Å²	69	131.4 Å²	131.4	57%	0.57	71%	0.71	S	S	*	*			trans	-60.2	124.1	161	0	0	0	0	0	107.2	V13 N17 G18	V13-A15 PolarHBondContact O-N 3.4Å; A15-N17 PolarHBondContact O-N 2.93Å; A15-G18 PolarHBondContact O-N 3.04Å
16	T	40	Very low	43	Very low	138 Å²	138	126.4 Å²	126.4	85%	0.847	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	8.5	-165.3	43.5	0	0	0	0	116.9	E14	E14-T16 PolarHBondContact O-N 3.07Å
17	N	38.9	Very low	44.9	Very low	128 Å²	128	128 Å²	128	68%	0.684	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.8	13.8	-179.6	-73.8	-14.1	0	0	0	114.7	A15 R19	A15-N17 PolarHBondContact O-N 2.93Å; N17-R19 PolarHBondContact O-N 3.42Å
18	G	41.3	Very low	46.1	Very low	75 Å²	75	127.1 Å²	127.1	77%	0.773	68%	0.675	S	S	*	*			trans	65.1	15.5	168.2	0	0	0	0	0	115.8	A15	A15-G18 PolarHBondContact O-N 3.04Å
19	R	56	Low	47.6	Very low	142 Å²	142	124.4 Å²	124.4	54%	0.536	67%	0.668	S	S	.	*			trans	-92	135.2	-177.9	-67.6	-177.8	-178.5	178.6	-1.5	111.1	N17 Y21 Y27	N17-R19 PolarHBondContact O-N 3.42Å; R19-Y21 HydrophobicContact CB-CE2 3.67Å; R19-Y21 WeakPolarHBondContact O-CD2 3.31Å; R19-Y27 HydrophobicContact CB-CD2 4.15Å; R19-Y27 HydrophobicContact CB-CE2 3.79Å; R19-Y27 HydrophobicContact CG-CD2 4.4Å; R19-Y27 HydrophobicContact CG-CE2 3.68Å
20	K	57.5	Low	47.8	Very low	136 Å²	136	123 Å²	123	59%	0.591	66%	0.661	S	S	*	*			trans	-96.9	139.8	177	-69.7	174.5	-174	152.2	0	111	L28 E30	K20-L28 HydrophobicContact CB-CD1 4.35Å; K20-L28 PolarHBondContact O-N 3.48Å; K20-E30 IonicContact NZ-OE1 3.9Å
21	Y	64.1	Low	48	Very low	118 Å²	118	122 Å²	122	46%	0.463	66%	0.657	S	S	.	*	B	Isolated β-bridge	trans	-128	149.4	-178.3	-64.3	-93.1	0	0	0	109.9	R19 G25 A26 Y27	R19-Y21 HydrophobicContact CB-CE2 3.67Å; R19-Y21 WeakPolarHBondContact O-CD2 3.31Å; Y21-G25 VanDerWaalsContact CD1-O 3.31Å; Y21-G25 WeakPolarHBondContact CD1-O 3.35Å; Y21-A26 CarbonylContact C-O 3.5Å; Y21-A26 VanDerWaalsContact CA-O 3.25Å; Y21-A26 WeakPolarHBondContact CA-O 3.47Å; Y21-Y27 HydrophobicContact CE1-CD2 4.19Å
22	N	67.1	Low	48	Very low	69 Å²	69	120.9 Å²	120.9	37%	0.369	65%	0.651	S	S	.	*			trans	-80.1	176.9	172.2	74.5	10.4	0	0	0	111.9	N24 G25 A26	N22-N24 PolarHBondContact O-N 3.41Å; N22-N24 VanDerWaalsContact O-N 3.13Å; N22-N24 WeakPolarHBondContact OD1-CA 3.25Å; N22-N24 PolarHBondContact OD1-N 2.88Å; N22-G25 PolarHBondContact O-N 2.71Å; N22-G25 PolarHBondContact OD1-N 3.18Å; N22-A26 PolarHBondContact N-O 3.24Å; N22-A26 WeakPolarHBondContact OD1-CB 3.36Å; N22-A26 PolarHBondContact OD1-N 3.32Å
23	Y	57.6	Low	47.6	Very low	230 Å²	230	121.2 Å²	121.2	90%	0.902	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-25.1	-179.3	-173	-99.6	0	0	0	113.8	G25	Y23-G25 VanDerWaalsContact C-N 3.33Å
24	N	56	Low	47.2	Very low	142 Å²	142	119.9 Å²	119.9	76%	0.759	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	9.2	176.9	-62.9	-11.4	0	0	0	112.7	N22 A26	N22-N24 PolarHBondContact O-N 3.41Å; N22-N24 VanDerWaalsContact O-N 3.13Å; N22-N24 WeakPolarHBondContact OD1-CA 3.25Å; N22-N24 PolarHBondContact OD1-N 2.88Å; N24-A26 VanDerWaalsContact C-N 3.32Å; N24-A26 PolarHBondContact O-N 2.89Å
25	G	55.9	Low	47	Very low	50 Å²	50	120.4 Å²	120.4	52%	0.515	65%	0.648	S	S	.	*			trans	75.8	12.3	179	0	0	0	0	0	115	Y21 N22 Y23	Y21-G25 VanDerWaalsContact CD1-O 3.31Å; Y21-G25 WeakPolarHBondContact CD1-O 3.35Å; N22-G25 PolarHBondContact O-N 2.71Å; N22-G25 PolarHBondContact OD1-N 3.18Å; Y23-G25 VanDerWaalsContact C-N 3.33Å
26	A	60	Low	46.4	Very low	49 Å²	49	125 Å²	125	41%	0.405	66%	0.663	S	S	.	*			trans	-81.4	137.1	177.1	0	0	0	0	0	111.4	Y21 N22 N24	Y21-A26 CarbonylContact C-O 3.5Å; Y21-A26 VanDerWaalsContact CA-O 3.25Å; Y21-A26 WeakPolarHBondContact CA-O 3.47Å; N22-A26 PolarHBondContact N-O 3.24Å; N22-A26 WeakPolarHBondContact OD1-CB 3.36Å; N22-A26 PolarHBondContact OD1-N 3.32Å; N24-A26 VanDerWaalsContact C-N 3.32Å; N24-A26 PolarHBondContact O-N 2.89Å
27	Y	64.2	Low	45.8	Very low	126 Å²	126	124 Å²	124	49%	0.494	66%	0.661	S	S	.	*	B	Isolated β-bridge	trans	-67.6	130.4	-179.6	176.2	-114.6	0	0	0	111.5	R19 Y21	R19-Y27 HydrophobicContact CB-CD2 4.15Å; R19-Y27 HydrophobicContact CB-CE2 3.79Å; R19-Y27 HydrophobicContact CG-CD2 4.4Å; R19-Y27 HydrophobicContact CG-CE2 3.68Å; Y21-Y27 HydrophobicContact CE1-CD2 4.19Å
28	L	55.6	Low	45	Very low	93 Å²	93	123.5 Å²	123.5	49%	0.487	66%	0.663	S	S	.	*			trans	-94.5	105.7	172.8	-65.1	170.1	0	0	0	108.5	K20 E30	K20-L28 HydrophobicContact CB-CD1 4.35Å; K20-L28 PolarHBondContact O-N 3.48Å; L28-E30 PolarHBondContact O-N 3.23Å
29	S	58.5	Low	44.3	Very low	97 Å²	97	126.3 Å²	126.3	68%	0.678	66%	0.66	S	S	*	*			trans	-70	120.6	172.3	49.6	0	0	0	0	110.2
30	E	37.6	Very low	43	Very low	150 Å²	150	127 Å²	127	70%	0.701	67%	0.674	S	S	*	*			trans	-80.8	108.7	166.8	-73.4	179.8	167.1	0	0	108.1	K20 L28	K20-E30 IonicContact NZ-OE1 3.9Å; L28-E30 PolarHBondContact O-N 3.23Å
31	E	36.4	Very low	41.4	Very low	174 Å²	174	128.3 Å²	128.3	81%	0.813	69%	0.687	S	S	*	*			trans	-159.3	129.6	150.4	-114.2	177.8	-159.1	0	0	114
32	L	31.1	Very low	39.5	Very low	149 Å²	149	128.6 Å²	128.6	78%	0.78	70%	0.701	S	S	*	*			trans	70.5	112.8	146.2	-73.7	153.4	0	0	0	122.1
33	S	23.7	Very low	37.4	Very low	98 Å²	98	133 Å²	133	69%	0.685	72%	0.723	S	S	*	*			trans	-61	153.5	162.7	54.1	0	0	0	0	115.2
34	V	25.2	Very low	35.9	Very low	118 Å²	118	127 Å²	127	72%	0.715	72%	0.715	S	S	*	*			trans	106	123.8	148.4	-172.5	0	0	0	0	117.4
35	Q	25.1	Very low	34.4	Very low	178 Å²	178	129.2 Å²	129.2	83%	0.832	72%	0.72	S	S	*	*			trans	97.7	106.9	151.7	-86.1	156.6	4.2	0	0	120.6
36	D	22	Very low	33	Very low	166 Å²	166	133.5 Å²	133.5	89%	0.888	74%	0.737	S	S	*	*			trans	-38.2	128.2	151.8	-89.7	-39.6	0	0	0	112.5
37	S	27.8	Very low	31.4	Very low	116 Å²	116	136.4 Å²	136.4	81%	0.811	75%	0.751	S	S	*	*			trans	-162.7	138	136.5	33.9	0	0	0	0	109.8
38	T	23.2	Very low	29.3	Very low	118 Å²	118	139.3 Å²	139.3	72%	0.724	77%	0.769	S	S	*	*			trans	-72.2	161.6	-177.6	46.1	0	0	0	0	112.4
39	D	26.1	Very low	28	Very low	133 Å²	133	142.6 Å²	142.6	71%	0.711	79%	0.785	S	S	*	*			trans	77.4	94.7	159.8	-50.3	-32.8	0	0	0	118.3
40	N	29.3	Very low	26.3	Very low	156 Å²	156	143.5 Å²	143.5	83%	0.834	79%	0.787	S	S	*	*				174.1	136	96.4	-91.6	-48.7	0	0	0	112.4
41	L	22.4	Very low	25.7	Very low	165 Å²	165	144.8 Å²	144.8	86%	0.864	79%	0.793	S	S	*	*			trans	-67.4	122.3	168.6	-74.8	153.6	0	0	0	110.1
42	T	25.2	Very low	25	Very low	124 Å²	124	144.9 Å²	144.9	76%	0.761	79%	0.794	S	S	*	*			trans	-149.2	119.1	148.3	-46.8	0	0	0	0	109
43	I	21.8	Very low	24.6	Very low	162 Å²	162	143.9 Å²	143.9	83%	0.831	79%	0.794	S	S	*	*			trans	-78.7	126.4	174.3	-67.9	168.4	0	0	0	107.2
44	S	27.5	Very low	24.6	Very low	103 Å²	103	147.8 Å²	147.8	72%	0.72	80%	0.801	S	S	*	*			trans	-136.7	136.3	170.5	-50.2	0	0	0	0	109
45	E	24.5	Very low	24.5	Very low	188 Å²	188	147.3 Å²	147.3	88%	0.879	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-67.3	149.6	-160.7	-66.9	164.6	150.9	0	0	114.7
46	V	26.5	Very low	24.5	Very low	141 Å²	141	146.8 Å²	146.8	86%	0.855	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-76.3	125.8	178.8	177.1	0	0	0	0	109.9
47	P	25	Very low	24.5	Very low	109 Å²	109	143.7 Å²	143.7	71%	0.708	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-84.2	138.3	176.7	31.3	-30.5	0	0	0	112.4
48	E	20.9	Very low	24.3	Very low	188 Å²	188	148.1 Å²	148.1	88%	0.879	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-64.4	122.7	176.3	-168.7	172.5	-164	0	0	111.4
49	I	28.1	Very low	24.4	Very low	161 Å²	161	151.3 Å²	151.3	83%	0.826	81%	0.809	S	S	*	*			trans	-100.7	107.3	177	-56.8	175.6	0	0	0	108.5
50	T	23.8	Very low	24.1	Very low	117 Å²	117	152.2 Å²	152.2	72%	0.718	81%	0.814	S	S	*	*			trans	-69.7	133	174	-47.4	0	0	0	0	111.5	Q52	T50-Q52 PolarHBondContact O-N 2.74Å
51	E	24	Very low	23.9	Very low	176 Å²	176	152.8 Å²	152.8	82%	0.822	82%	0.817	S	S	*	*			trans	-63.3	119.8	173.8	-65.6	179.3	160.5	0	0	111.5
52	Q	22	Very low	23.9	Very low	177 Å²	177	152.8 Å²	152.8	83%	0.827	81%	0.813	S	S	*	*			trans	-99.1	102.3	164.3	-72.9	-173.7	0.2	0	0	109.3	T50	T50-Q52 PolarHBondContact O-N 2.74Å
53	T	22.7	Very low	23.8	Very low	128 Å²	128	153.8 Å²	153.8	79%	0.785	81%	0.813	S	S	*	*			trans	-70.5	116.3	164.8	32.4	0	0	0	0	109.1
54	Q	24.2	Very low	24	Very low	179 Å²	179	152.7 Å²	152.7	84%	0.836	81%	0.809	S	S	*	*			trans	-104	105.4	161	-78.7	-175.4	11.9	0	0	109
55	S	23.2	Very low	23.8	Very low	108 Å²	108	154 Å²	154	76%	0.755	81%	0.807	S	S	*	*			trans	-57.9	120.3	166.8	36.3	0	0	0	0	111.3
56	N	24.8	Very low	23.8	Very low	168 Å²	168	152.7 Å²	152.7	90%	0.898	80%	0.801	S	S	*	*			trans	-106.4	99	152.8	-90	-23.9	0	0	0	108
57	S	21.9	Very low	23.6	Very low	101 Å²	101	152.1 Å²	152.1	71%	0.706	80%	0.798	S	S	*	*			trans	-66.3	121.5	165.8	51.1	0	0	0	0	110
58	F	24	Very low	23.6	Very low	208 Å²	208	151.8 Å²	151.8	91%	0.912	80%	0.797	S	S	*	*			trans	-128.9	115.8	152.5	-109.3	-92.5	0	0	0	108.1
59	Q	24.3	Very low	23.8	Very low	186 Å²	186	152.1 Å²	152.1	87%	0.869	80%	0.799	S	S	*	*			trans	-70.1	144.5	-174.2	-74.7	168.8	-52.2	0	0	111.7
60	N	20.7	Very low	23.8	Very low	152 Å²	152	150.1 Å²	150.1	81%	0.813	79%	0.794	S	S	*	*			trans	-51.9	129.3	165.9	-66.5	-32.9	0	0	0	111.3
61	N	25	Very low	23.8	Very low	168 Å²	168	150 Å²	150	90%	0.898	80%	0.798	S	S	*	*			trans	-115.4	97.8	154.1	-101.4	-11.9	0	0	0	107.6
62	E	20.9	Very low	24	Very low	164 Å²	164	147.1 Å²	147.1	77%	0.766	80%	0.796	S	S	*	*			trans	-74.9	151.4	155.4	-67.8	-166.9	146.8	0	0	109.5
63	N	23.2	Very low	24.2	Very low	145 Å²	145	143 Å²	143	78%	0.775	79%	0.793	S	S	*	*			trans	91.7	90.8	168.5	-50.5	-35.4	0	0	0	117.7
64	N	26	Very low	24.4	Very low	139 Å²	139	143 Å²	143	74%	0.743	79%	0.792	S	S	*	*				165.8	113.7	112.1	-99.5	-7.7	0	0	0	110.5
65	I	24.5	Very low	24.6	Very low	132 Å²	132	140.8 Å²	140.8	68%	0.677	79%	0.791	S	S	*	*				91.2	129.1	93.5	-74.7	178.5	0	0	0	113.8
66	H	24.9	Very low	24.9	Very low	160 Å²	160	140.6 Å²	140.6	74%	0.741	79%	0.79	S	S	*	*			trans	75.1	98.8	161.4	-79.8	-54.1	0	0	0	121	S68	H66-S68 PolarHBondContact O-N 3.15Å
67	T	21.4	Very low	25.3	Very low	129 Å²	129	137.7 Å²	137.7	79%	0.791	78%	0.783	S	S	*	*				-6.5	110.2	129.8	53.3	0	0	0	0	115.8
68	S	25.8	Very low	25.5	Very low	101 Å²	101	139.8 Å²	139.8	71%	0.706	79%	0.786	S	S	*	*			trans	-126.1	109.7	153.7	57.5	0	0	0	0	108.2	H66 V70	H66-S68 PolarHBondContact O-N 3.15Å; S68-V70 PolarHBondContact O-N 3.33Å
69	E	23.9	Very low	26	Very low	195 Å²	195	138.1 Å²	138.1	91%	0.911	79%	0.786	S	S	*	*			trans	-58.8	113.2	170.6	-64.2	172.2	159	0	0	109.1
70	V	28.4	Very low	26.4	Very low	120 Å²	120	136 Å²	136	73%	0.727	78%	0.78	S	S	*	*			trans	-101.1	96.2	168	-178.9	0	0	0	0	107.3	S68 C72	S68-V70 PolarHBondContact O-N 3.33Å; V70-C72 PolarHBondContact O-N 3.4Å
71	S	23.7	Very low	26.7	Very low	113 Å²	113	135.4 Å²	135.4	79%	0.79	78%	0.777	S	S	*	*			trans	-67.6	108.5	168.3	56.8	0	0	0	0	109.8	A73	S71-A73 PolarHBondContact O-N 3.01Å
72	C	28	Very low	27.1	Very low	116 Å²	116	134.1 Å²	134.1	78%	0.784	78%	0.775	S	S	*	*			trans	-88.8	101.5	166	-77.2	0	0	0	0	108.9	V70 T74	V70-C72 PolarHBondContact O-N 3.4Å; C72-T74 PolarHBondContact O-N 2.64Å
73	A	27.4	Very low	27.3	Very low	92 Å²	92	131.4 Å²	131.4	76%	0.76	77%	0.77	S	S	*	*			trans	-66.7	124	172.3	0	0	0	0	0	110.5	S71 T75	S71-A73 PolarHBondContact O-N 3.01Å; A73-T75 PolarHBondContact O-N 2.75Å
74	T	26.8	Very low	27.7	Very low	126 Å²	126	130.7 Å²	130.7	77%	0.773	77%	0.771	S	S	*	*			trans	-68.5	108.7	173	-45.7	0	0	0	0	109.9	C72	C72-T74 PolarHBondContact O-N 2.64Å
75	T	27.1	Very low	27.6	Very low	134 Å²	134	130.7 Å²	130.7	82%	0.822	77%	0.771	S	S	*	*			trans	-92.6	93.9	163.1	54	0	0	0	0	108.9	A73 S77	A73-T75 PolarHBondContact O-N 2.75Å; T75-S77 PolarHBondContact O-N 3.39Å
76	S	29.7	Very low	27.9	Very low	103 Å²	103	133 Å²	133	72%	0.72	78%	0.779	S	S	*	*			trans	-74.3	108.4	168.4	-58.3	0	0	0	0	109.3
77	S	33.2	Very low	28.1	Very low	108 Å²	108	131.9 Å²	131.9	76%	0.755	78%	0.784	S	S	*	*			trans	-101.4	115	164.8	57.3	0	0	0	0	109.3	T75	T75-S77 PolarHBondContact O-N 3.39Å
78	N	26.1	Very low	28.3	Very low	145 Å²	145	134.5 Å²	134.5	78%	0.775	78%	0.784	S	S	*	*			trans	-52.4	131.3	174.5	-67.3	-41.8	0	0	0	112.1
79	L	33.9	Very low	28.4	Very low	173 Å²	173	135.7 Å²	135.7	91%	0.906	79%	0.787	S	S	*	*			trans	-119.4	121.9	151.3	-107.9	101	0	0	0	108.3
80	D	32.7	Very low	28.5	Very low	140 Å²	140	133.7 Å²	133.7	75%	0.749	78%	0.777	S	S	*	*			trans	-71.1	140.8	-171.4	-67.5	-51.7	0	0	0	114.2
81	N	27.8	Very low	28.5	Very low	141 Å²	141	135.5 Å²	135.5	75%	0.754	78%	0.783	S	S	*	*			trans	31.9	107.2	137.1	-74.4	-21	0	0	0	119.2
82	V	33	Very low	28.9	Very low	141 Å²	141	140.7 Å²	140.7	86%	0.855	79%	0.785	S	S	*	*			trans	-117	110.4	140.3	175.5	0	0	0	0	108
83	T	25.9	Very low	29.1	Very low	107 Å²	107	139.7 Å²	139.7	66%	0.656	78%	0.78	S	S	*	*			trans	-77.5	120	-180	-44	0	0	0	0	110.2
84	T	30.5	Very low	29.3	Very low	130 Å²	130	142.9 Å²	142.9	80%	0.798	78%	0.783	S	S	*	*			trans	-131.8	116.6	153.8	49.6	0	0	0	0	108.6
85	N	25.7	Very low	29.4	Very low	139 Å²	139	144 Å²	144	74%	0.743	78%	0.783	S	S	*	*			trans	-62.5	130	175.3	-62.5	-35.1	0	0	0	110
86	E	30.1	Very low	29.8	Very low	180 Å²	180	143.3 Å²	143.3	84%	0.841	78%	0.779	S	S	*	*				164.7	146.9	113.3	-86.5	177.9	179.4	0	0	111.7
87	T	29.6	Very low	29.9	Very low	137 Å²	137	144.8 Å²	144.8	84%	0.84	78%	0.778	S	S	*	*			trans	64.7	78.1	172.9	39.7	0	0	0	0	119.6	V89	T87-V89 PolarHBondContact O-N 3.15Å
88	K	23.9	Very low	30.1	Very low	184 Å²	184	146.4 Å²	146.4	80%	0.8	78%	0.779	S	S	*	*			trans	-40.7	105.8	152.9	-170.3	-179.4	-176.2	-173.9	0	112.8
89	V	28.2	Very low	30.7	Very low	126 Å²	126	147.1 Å²	147.1	76%	0.764	78%	0.782	S	S	*	*			trans	-110.3	117.4	155.3	179.7	0	0	0	0	107.3	T87 N91	T87-V89 PolarHBondContact O-N 3.15Å; V89-N91 PolarHBondContact O-N 3.24Å; V89-N91 VanDerWaalsContact O-N 3.1Å
90	E	26.7	Very low	30.9	Very low	152 Å²	152	147.2 Å²	147.2	71%	0.71	78%	0.783	S	S	*	*			trans	-77.2	90.5	-169.6	-153.2	167.7	-130	0	0	109.6	R92	E90-R92 PolarHBondContact O-N 3.46Å
91	N	29.4	Very low	31	Very low	159 Å²	159	147.5 Å²	147.5	85%	0.85	78%	0.784	S	S	*	*			trans	-75.2	81.2	170.5	-83.4	-21.7	0	0	0	109.3	V89 S93	V89-N91 PolarHBondContact O-N 3.24Å; V89-N91 VanDerWaalsContact O-N 3.1Å; N91-S93 PolarHBondContact O-N 2.8Å
92	R	30.4	Very low	31.7	Very low	221 Å²	221	146.5 Å²	146.5	83%	0.834	79%	0.785	S	S	*	*			trans	-61.6	117.9	169.5	-171.1	172.4	-175.3	146.8	-1.2	108.8	E90 L94	E90-R92 PolarHBondContact O-N 3.46Å; R92-L94 PolarHBondContact O-N 2.93Å
93	S	32.7	Very low	32.6	Very low	96 Å²	96	148.2 Å²	148.2	67%	0.671	78%	0.784	S	S	*	*			trans	-38.5	114	171.1	52.8	0	0	0	0	113.2	N91	N91-S93 PolarHBondContact O-N 2.8Å
94	L	32.6	Very low	34.1	Very low	159 Å²	159	146.3 Å²	146.3	83%	0.832	78%	0.775	S	S	*	*			trans	-106.1	82	156.5	-72.3	173	0	0	0	107.3	R92	R92-L94 PolarHBondContact O-N 2.93Å
95	I	28.5	Very low	35.7	Very low	148 Å²	148	144.9 Å²	144.9	76%	0.759	77%	0.766	S	S	*	*			trans	-88.6	102.8	156	-60.5	174.2	0	0	0	104.2
96	T	35.4	Very low	37.7	Very low	121 Å²	121	140.4 Å²	140.4	74%	0.742	74%	0.742	S	S	*	*			trans	-133.7	125	162.4	42	0	0	0	0	108.3
97	D	32	Very low	39.5	Very low	133 Å²	133	135.4 Å²	135.4	71%	0.711	73%	0.731	S	S	*	*			trans	-60.1	151.6	-173.1	-59.3	-61.5	0	0	0	114.1
98	N	37.9	Very low	41.6	Very low	143 Å²	143	133.2 Å²	133.2	77%	0.765	71%	0.708	S	S	*	*			trans	55.1	75.5	150.9	-60.7	-23.4	0	0	0	117.4
99	N	37	Very low	44.6	Very low	159 Å²	159	136.9 Å²	136.9	85%	0.85	72%	0.717	S	S	*	*			trans	-152.9	86.7	140.4	-91.7	-30.2	0	0	0	108.5	L101	N99-L101 PolarHBondContact O-N 2.82Å
100	L	37.9	Very low	47.6	Very low	175 Å²	175	134.1 Å²	134.1	92%	0.916	70%	0.703	S	S	*	*			trans	-69.2	74.9	166.9	-72.2	161.8	0	0	0	108.4
101	L	34.8	Very low	51	Low	146 Å²	146	129.1 Å²	129.1	76%	0.764	68%	0.684	S	S	*	*			trans	-58.9	126.6	150.2	-77.3	168.6	0	0	0	105.3	N99 Q103	N99-L101 PolarHBondContact O-N 2.82Å; L101-Q103 VanDerWaalsContact C-N 3.32Å; L101-Q103 PolarHBondContact O-N 3.05Å
102	P	44.5	Very low	54.2	Low	120 Å²	120	121.9 Å²	121.9	78%	0.779	65%	0.646	S	S	*	*			trans	-59.5	104	176.3	21.8	-28.3	0	0	0	106.4	S104	P102-S104 VanDerWaalsContact C-N 3.31Å; P102-S104 PolarHBondContact O-N 3.21Å
103	Q	50.7	Low	57.4	Low	178 Å²	178	111.8 Å²	111.8	83%	0.832	61%	0.609	S	S	*	*			trans	-55.4	106.7	170.4	-74.8	-176.9	-9.7	0	0	104.6	L101 T105	L101-Q103 VanDerWaalsContact C-N 3.32Å; L101-Q103 PolarHBondContact O-N 3.05Å; Q103-T105 WeakPolarHBondContact O-CG2 3.31Å; Q103-T105 PolarHBondContact O-N 3.01Å
104	S	58.5	Low	60.5	Low	66 Å²	66	108.1 Å²	108.1	46%	0.462	58%	0.581	S	S	.	*			trans	-52	95.6	174.9	152	0	0	0	0	106.7	P102 L106	P102-S104 VanDerWaalsContact C-N 3.31Å; P102-S104 PolarHBondContact O-N 3.21Å; S104-L106 PolarHBondContact O-N 3.13Å
105	T	63.6	Low	63.6	Low	100 Å²	100	101.9 Å²	101.9	61%	0.613	55%	0.551	S	S	*	*			trans	-69.4	102.3	-178.6	51.9	0	0	0	0	106	Q103 A107	Q103-T105 WeakPolarHBondContact O-CG2 3.31Å; Q103-T105 PolarHBondContact O-N 3.01Å; T105-A107 PolarHBondContact O-N 3.13Å
106	L	68	Low	66.9	Low	45 Å²	45	101 Å²	101	24%	0.236	54%	0.539	C	S	.	.	S	Bend	trans	-58.2	-10.8	178.3	-70.1	174	0	0	0	113.1	S104 K170 R210	S104-L106 PolarHBondContact O-N 3.13Å; L106-K170 HydrophobicContact CD2-CG 4.05Å; L106-R210 WeakPolarHBondContact O-CB 3.43Å
107	A	66.9	Low	69.9	Low	76 Å²	76	97.9 Å²	97.9	63%	0.628	52%	0.516	S	S	*	.			trans	-94.1	90.6	172.8	0	0	0	0	0	109.8	T105	T105-A107 PolarHBondContact O-N 3.13Å
108	Y	74.2	Confident	73.1	Confident	90 Å²	90	96.5 Å²	96.5	35%	0.353	51%	0.514	S	S	.	.			trans	-68.7	146	168.7	-70.6	-73	0	0	0	110.9	S110 D213	Y108-S110 VanDerWaalsContact C-N 3.3Å; Y108-S110 WeakPolarHBondContact CB-O 3.48Å; Y108-D213 WeakPolarHBondContact CE2-OD1 3.41Å; Y108-D213 PolarHBondContact OH-OD1 2.73Å
109	R	85.8	Confident	75.8	Confident	262 Å²	262	95 Å²	95	99%	0.989	51%	0.506	S	S	*	.	S	Bend	trans	-86.1	-2.4	174.6	-67.6	-173.2	178.3	-126.6	1.8	113.4
110	S	93	Very high	78.7	Confident	68 Å²	68	87.5 Å²	87.5	48%	0.476	47%	0.465	S	S	.	.	S	Bend	trans	-139.6	158.6	-178	60.4	0	0	0	0	109.8	Y108	Y108-S110 VanDerWaalsContact C-N 3.3Å; Y108-S110 WeakPolarHBondContact CB-O 3.48Å
111	P	96.4	Very high	81.6	Confident	47 Å²	47	83.2 Å²	83.2	31%	0.305	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-58.3	150.1	170.7	-18.9	32	0	0	0	110.8	R207	P111-R207 WeakPolarHBondContact CA-O 3.35Å; P111-R207 HydrophobicContact CB-CB 3.99Å
112	A	97.1	Very high	84.6	Confident	6 Å²	6	78.8 Å²	78.8	5%	0.05	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-59.5	131.9	173.4	0	0	0	0	0	109.7	R207 V212 V215	A112-R207 PolarHBondContact N-O 3.4Å; A112-R207 WeakPolarHBondContact O-CG 3.28Å; A112-R207 PolarHBondContact O-NE 3.13Å; A112-R207 PolarHBondContact O-NH2 3.12Å; A112-V212 HydrophobicContact CB-CB 4.23Å; A112-V212 HydrophobicContact CB-CG1 3.91Å; A112-V212 WeakPolarHBondContact CB-O 3.4Å; A112-V215 HydrophobicContact CB-CG2 4.38Å
113	P	97.9	Very high	87.1	Confident	9 Å²	9	77.6 Å²	77.6	6%	0.058	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-65.3	147.7	-177.4	25.7	-36.4	0	0	0	112.8	E117 L119 A120 D213 E214 V215	P113-E117 WeakPolarHBondContact CA-OE2 3.25Å; P113-E117 HydrophobicContact CB-CB 4.11Å; P113-E117 VanDerWaalsContact CB-OE2 3.25Å; P113-E117 WeakPolarHBondContact CB-OE2 3Å; P113-L119 HydrophobicContact CB-CB 4.22Å; P113-L119 HydrophobicContact CG-CB 4.14Å; P113-A120 HydrophobicContact CB-CB 4.09Å; P113-A120 HydrophobicContact CG-CB 4.07Å; P113-D213 VanDerWaalsContact CD-O 3.27Å; P113-D213 WeakPolarHBondContact CD-O 3.46Å; P113-E214 WeakPolarHBondContact O-CA 3.45Å; P113-V215 PolarHBondContact O-N 3.21Å
114	F	98.6	Very high	89.3	Confident	19 Å²	19	70.6 Å²	70.6	8%	0.083	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-69.7	154.1	164.4	-71.9	-62.7	0	0	0	110.3	Y116 E117 A120 R207 V215	F114-Y116 HydrophobicContact CB-CD1 4.06Å; F114-Y116 HydrophobicContact CB-CD2 4.29Å; F114-Y116 HydrophobicContact CB-CE1 3.63Å; F114-Y116 HydrophobicContact CB-CE2 3.87Å; F114-Y116 HydrophobicContact CB-CG 4.38Å; F114-Y116 HydrophobicContact CD2-CE1 4.43Å; F114-Y116 HydrophobicContact CD2-CE2 4.23Å; F114-Y116 AromaticContact CD2-CZ 3.7Å; F114-Y116 WeakPolarHBondContact CD2-OH 3.48Å; F114-Y116 HydrophobicContact CG-CE1 4.01Å; F114-Y116 HydrophobicContact CG-CE2 4.38Å; F114-Y116 AromaticContact CG-CZ 3.72Å; F114-Y116 PolarHBondContact O-N 3.42Å; F114-E117 HydrophobicContact CB-CG 4.13Å; F114-E117 PolarHBondContact N-OE2 3.09Å; F114-E117 WeakPolarHBondContact O-CB 3.41Å; F114-E117 PolarHBondContact O-N 2.89Å; F114-A120 WeakPolarHBondContact O-CB 3.4Å; F114-R207 HydrophobicContact CD1-CG 4.48Å; F114-R207 VanDerWaalsContact CD2-CZ 3.49Å; F114-R207 HydrophobicContact CE1-CG 4.08Å; F114-R207 VanDerWaalsContact CE2-CD 3.44Å; F114-R207 HydrophobicContact CZ-CG 4.24Å; F114-V215 CarbonylContact C-O 3.47Å; F114-V215 VanDerWaalsContact CA-O 3.32Å; F114-V215 WeakPolarHBondContact CA-O 3.47Å; F114-V215 HydrophobicContact CD1-CB 3.91Å; F114-V215 HydrophobicContact CD1-CG1 3.95Å; F114-V215 HydrophobicContact CE1-CB 4.25Å; F114-V215 HydrophobicContact CE1-CG1 3.91Å
115	C	97.8	Very high	91.2	Very high	28 Å²	28	74.3 Å²	74.3	19%	0.189	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-24	-175.7	66.9	0	0	0	0	114.6	M121 E214 V215 I216	C115-M121 WeakPolarHBondContact O-CG 3.18Å; C115-E214 HydrophobicContact CB-CG 4.31Å; C115-E214 WeakPolarHBondContact CB-OE1 3.25Å; C115-V215 PolarHBondContact N-O 2.73Å; C115-I216 HydrophobicContact CB-CG1 3.82Å
116	Y	97.7	Very high	92.7	Very high	131 Å²	131	73.7 Å²	73.7	51%	0.514	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-4.3	176.1	55.6	-103.2	0	0	0	114	F114 N217	F114-Y116 HydrophobicContact CB-CD1 4.06Å; F114-Y116 HydrophobicContact CB-CD2 4.29Å; F114-Y116 HydrophobicContact CB-CE1 3.63Å; F114-Y116 HydrophobicContact CB-CE2 3.87Å; F114-Y116 HydrophobicContact CB-CG 4.38Å; F114-Y116 HydrophobicContact CD2-CE1 4.43Å; F114-Y116 HydrophobicContact CD2-CE2 4.23Å; F114-Y116 AromaticContact CD2-CZ 3.7Å; F114-Y116 WeakPolarHBondContact CD2-OH 3.48Å; F114-Y116 HydrophobicContact CG-CE1 4.01Å; F114-Y116 HydrophobicContact CG-CE2 4.38Å; F114-Y116 AromaticContact CG-CZ 3.72Å; F114-Y116 PolarHBondContact O-N 3.42Å; Y116-N217 VanDerWaalsContact CE1-OD1 3.31Å; Y116-N217 WeakPolarHBondContact CE1-OD1 3.5Å
117	E	98.2	Very high	94.1	Very high	54 Å²	54	72.2 Å²	72.2	25%	0.252	38%	0.382	S	S	.	.	S	Bend	trans	-80.5	149.4	176.3	-71.6	176.6	163.8	0	0	110.9	P113 F114 L119 A120 M121 R207	P113-E117 WeakPolarHBondContact CA-OE2 3.25Å; P113-E117 HydrophobicContact CB-CB 4.11Å; P113-E117 VanDerWaalsContact CB-OE2 3.25Å; P113-E117 WeakPolarHBondContact CB-OE2 3Å; F114-E117 HydrophobicContact CB-CG 4.13Å; F114-E117 PolarHBondContact N-OE2 3.09Å; F114-E117 WeakPolarHBondContact O-CB 3.41Å; F114-E117 PolarHBondContact O-N 2.89Å; E117-L119 VanDerWaalsContact C-N 3.25Å; E117-L119 PolarHBondContact O-N 2.91Å; E117-L119 VanDerWaalsContact O-N 3.07Å; E117-A120 PolarHBondContact O-N 3.06Å; E117-M121 WeakPolarHBondContact O-CG 3.38Å; E117-M121 PolarHBondContact O-N 2.59Å; E117-R207 IonicContact OE1-CZ 3.45Å; E117-R207 IonicContact OE1-NH1 3.39Å; E117-R207 IonicContact OE1-NH2 2.7Å; E117-R207 PolarHBondContact OE1-NH2 2.86Å; E117-R207 IonicContact OE2-CZ 2.78Å; E117-R207 IonicContact OE2-NH2 3.98Å; E117-R207 PolarHBondContact OE2-NH2 3Å
118	P	97.9	Very high	95.4	Very high	105 Å²	105	72.2 Å²	72.2	68%	0.682	37%	0.372	S	S	*	.	H	α-helix	trans	-54.2	-36.2	-171.7	-29.2	35.4	0	0	0	115	A122	P118-A122 VanDerWaalsContact O-CB 3.25Å; P118-A122 WeakPolarHBondContact O-CB 3.29Å; P118-A122 PolarHBondContact O-N 3.47Å
119	L	95.7	Very high	96.5	Very high	112 Å²	112	70.1 Å²	70.1	59%	0.586	36%	0.364	S	S	*	.	H	α-helix	trans	-66.7	-42.4	179.6	-68.7	177.6	0	0	0	112.5	P113 E117 R123	P113-L119 HydrophobicContact CB-CB 4.22Å; P113-L119 HydrophobicContact CG-CB 4.14Å; E117-L119 VanDerWaalsContact C-N 3.25Å; E117-L119 PolarHBondContact O-N 2.91Å; E117-L119 VanDerWaalsContact O-N 3.07Å; L119-R123 WeakPolarHBondContact O-CG 3.49Å; L119-R123 PolarHBondContact O-N 3.31Å
120	A	97.6	Very high	96.9	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-70.2	-43.7	177.1	0	0	0	0	0	111	P113 F114 E117 A122 R123 N124 E214	P113-A120 HydrophobicContact CB-CB 4.09Å; P113-A120 HydrophobicContact CG-CB 4.07Å; F114-A120 WeakPolarHBondContact O-CB 3.4Å; E117-A120 PolarHBondContact O-N 3.06Å; A120-A122 PolarHBondContact O-N 3.04Å; A120-R123 PolarHBondContact O-N 3.4Å; A120-N124 PolarHBondContact O-N 3.05Å; A120-E214 HydrophobicContact CB-CG 3.96Å
121	M	98.4	Very high	96.8	Very high	86 Å²	86	63.7 Å²	63.7	42%	0.424	35%	0.348	S	S	.	.	H	α-helix	trans	-58.9	-44.8	176.8	-67.3	178	68.2	0	0	112	C115 E117 R123 N124 Q125	C115-M121 WeakPolarHBondContact O-CG 3.18Å; E117-M121 WeakPolarHBondContact O-CG 3.38Å; E117-M121 PolarHBondContact O-N 2.59Å; M121-R123 PolarHBondContact O-N 3.47Å; M121-N124 PolarHBondContact O-N 3.37Å; M121-Q125 WeakPolarHBondContact O-CB 3.34Å; M121-Q125 VanDerWaalsContact O-CG 3.31Å; M121-Q125 WeakPolarHBondContact O-CG 3.47Å; M121-Q125 PolarHBondContact O-N 3.14Å
122	A	97.8	Very high	96.8	Very high	52 Å²	52	69 Å²	69	43%	0.43	37%	0.366	S	S	.	.	H	α-helix	trans	-62.5	-41.5	178	0	0	0	0	0	112	P118 A120 Q125 A126	P118-A122 VanDerWaalsContact O-CB 3.25Å; P118-A122 WeakPolarHBondContact O-CB 3.29Å; P118-A122 PolarHBondContact O-N 3.47Å; A120-A122 PolarHBondContact O-N 3.04Å; A122-Q125 PolarHBondContact O-N 3.34Å; A122-A126 WeakPolarHBondContact O-CB 3.2Å; A122-A126 PolarHBondContact O-N 2.87Å
123	R	96.8	Very high	96.8	Very high	95 Å²	95	69 Å²	69	36%	0.358	37%	0.365	S	S	.	.	H	α-helix	trans	-67.5	-39.4	175.8	-74.2	-167	-175.8	124.1	-2.2	112.8	L119 A120 M121 C127 Y177	L119-R123 WeakPolarHBondContact O-CG 3.49Å; L119-R123 PolarHBondContact O-N 3.31Å; A120-R123 PolarHBondContact O-N 3.4Å; M121-R123 PolarHBondContact O-N 3.47Å; R123-C127 PolarHBondContact O-N 2.99Å; R123-Y177 WeakPolarHBondContact CD-OH 3.47Å
124	N	97.8	Very high	96.7	Very high	32 Å²	32	71.6 Å²	71.6	17%	0.171	38%	0.381	C	S	.	.	H	α-helix	trans	-60.9	-48.6	172.7	-176.4	-63.8	0	0	0	110.2	A120 M121 A126 C127 K230 K232	A120-N124 PolarHBondContact O-N 3.05Å; M121-N124 PolarHBondContact O-N 3.37Å; N124-A126 PolarHBondContact O-N 2.81Å; N124-C127 WeakPolarHBondContact O-CB 3.09Å; N124-C127 PolarHBondContact O-N 3.49Å; N124-K230 PolarHBondContact ND2-O 3.25Å; N124-K230 VanDerWaalsContact ND2-O 3.09Å; N124-K232 VanDerWaalsContact O-CD 3.31Å; N124-K232 WeakPolarHBondContact O-CD 3.31Å; N124-K232 WeakPolarHBondContact O-CE 3.37Å; N124-K232 PolarHBondContact O-NZ 3.2Å; N124-K232 WeakPolarHBondContact OD1-CE 3.27Å
125	Q	97.3	Very high	96.6	Very high	143 Å²	143	73.7 Å²	73.7	67%	0.668	39%	0.392	S	S	*	.	H	α-helix	trans	-60.8	-41.5	179.2	-73.5	173.8	-0.1	0	0	112.9	M121 A122 C127	M121-Q125 WeakPolarHBondContact O-CB 3.34Å; M121-Q125 VanDerWaalsContact O-CG 3.31Å; M121-Q125 WeakPolarHBondContact O-CG 3.47Å; M121-Q125 PolarHBondContact O-N 3.14Å; A122-Q125 PolarHBondContact O-N 3.34Å; Q125-C127 PolarHBondContact O-N 3.34Å
126	A	96.1	Very high	96.5	Very high	87 Å²	87	79.9 Å²	79.9	72%	0.719	42%	0.419	S	S	*	.	H	α-helix	trans	-69.3	-18.3	178.8	0	0	0	0	0	114.2	A122 N124 D128	A122-A126 WeakPolarHBondContact O-CB 3.2Å; A122-A126 PolarHBondContact O-N 2.87Å; N124-A126 PolarHBondContact O-N 2.81Å; A126-D128 PolarHBondContact O-N 3.37Å
127	C	96.3	Very high	96.5	Very high	14 Å²	14	76.2 Å²	76.2	10%	0.095	41%	0.407	C	S	.	.			trans	-76.2	114.2	-180	178.6	0	0	0	0	111.6	R123 N124 Q125 Y129 R148 K232	R123-C127 PolarHBondContact O-N 2.99Å; N124-C127 WeakPolarHBondContact O-CB 3.09Å; N124-C127 PolarHBondContact O-N 3.49Å; Q125-C127 PolarHBondContact O-N 3.34Å; C127-Y129 PolarHBondContact O-N 3.25Å; C127-Y129 VanDerWaalsContact O-N 3.15Å; C127-R148 WeakPolarHBondContact SG-CD 3.42Å; C127-K232 HydrophobicContact CB-CD 3.81Å; C127-K232 WeakPolarHBondContact O-CD 3.25Å; C127-K232 PolarHBondContact O-NZ 3.37Å
128	D	95.4	Very high	96.4	Very high	77 Å²	77	73.7 Å²	73.7	41%	0.412	40%	0.395	S	S	.	.			trans	-75.9	98.2	169.8	-178	6.3	0	0	0	111.2	A126 T130 R145	A126-D128 PolarHBondContact O-N 3.37Å; D128-T130 VanDerWaalsContact C-N 3.32Å; D128-T130 WeakPolarHBondContact OD1-CB 3.45Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.37Å; D128-T130 PolarHBondContact OD1-N 3.4Å; D128-T130 PolarHBondContact OD1-OG1 2.85Å; D128-T130 PolarHBondContact OD2-OG1 2.81Å; D128-R145 VanDerWaalsContact O-CD 3.28Å; D128-R145 WeakPolarHBondContact O-CD 3.18Å; D128-R145 PolarHBondContact O-NE 2.76Å
129	Y	96.1	Very high	96.4	Very high	46 Å²	46	75.2 Å²	75.2	18%	0.18	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	4.9	-178.7	-160	-119.3	0	0	0	113.4	C127 I131 Q229 K232 I233	C127-Y129 PolarHBondContact O-N 3.25Å; C127-Y129 VanDerWaalsContact O-N 3.15Å; Y129-I131 VanDerWaalsContact C-N 3.27Å; Y129-Q229 VanDerWaalsContact CD1-OE1 3.31Å; Y129-K232 HydrophobicContact CD1-CB 4.29Å; Y129-K232 HydrophobicContact CD1-CG 4.17Å; Y129-K232 HydrophobicContact CD2-CB 3.54Å; Y129-K232 HydrophobicContact CD2-CG 4.16Å; Y129-K232 HydrophobicContact CE2-CB 4.04Å; Y129-K232 HydrophobicContact CG-CB 3.7Å; Y129-K232 HydrophobicContact CG-CD 4.45Å; Y129-K232 HydrophobicContact CG-CG 3.77Å; Y129-I233 PolarHBondContact OH-O 2.76Å
130	T	95.1	Very high	96.4	Very high	122 Å²	122	73.2 Å²	73.2	75%	0.748	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-26.3	175.3	67	0	0	0	0	112.1	D128	D128-T130 VanDerWaalsContact C-N 3.32Å; D128-T130 WeakPolarHBondContact OD1-CB 3.45Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.37Å; D128-T130 PolarHBondContact OD1-N 3.4Å; D128-T130 PolarHBondContact OD1-OG1 2.85Å; D128-T130 PolarHBondContact OD2-OG1 2.81Å
131	I	91.8	Very high	96.2	Very high	73 Å²	73	75.2 Å²	75.2	37%	0.374	41%	0.407	S	S	.	.	S	Bend	trans	-90.5	111.4	174.7	-52.9	172.8	0	0	0	109.1	Y129 I133 P144 R145	Y129-I131 VanDerWaalsContact C-N 3.27Å; I131-I133 PolarHBondContact O-N 3.02Å; I131-P144 HydrophobicContact CD1-CG 4.14Å; I131-P144 HydrophobicContact CG2-CG 3.98Å; I131-R145 PolarHBondContact O-NH2 3.23Å
132	K	94.9	Very high	96.1	Very high	157 Å²	157	78 Å²	78	68%	0.683	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-73.3	118.6	173.1	-173.7	173.9	-177.3	177.1	0	110
133	I	96.9	Very high	96	Very high	6 Å²	6	76.7 Å²	76.7	3%	0.031	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-79.3	126.1	175.7	-65.7	177	0	0	0	109.1	I131 M137 A138 A143 R145 V147 F235	I131-I133 PolarHBondContact O-N 3.02Å; I133-M137 HydrophobicContact CG2-CB 4.36Å; I133-A138 HydrophobicContact CG2-CB 3.91Å; I133-A143 HydrophobicContact CD1-CB 3.99Å; I133-A143 HydrophobicContact CG1-CB 4.38Å; I133-A143 HydrophobicContact CG2-CB 4.19Å; I133-R145 HydrophobicContact CD1-CG 3.92Å; I133-R145 VanDerWaalsContact CD1-NH1 3.34Å; I133-V147 HydrophobicContact CD1-CG2 4.26Å; I133-V147 HydrophobicContact CG2-CG2 4.33Å; I133-F235 HydrophobicContact CG2-CE2 4.15Å
134	T	96.3	Very high	95.9	Very high	65 Å²	65	75.9 Å²	75.9	40%	0.399	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-85.6	157.8	172.2	71.4	0	0	0	0	110.9	E136 M137 A138	T134-E136 PolarHBondContact O-N 2.57Å; T134-M137 HydrophobicContact CG2-SD 4.17Å; T134-M137 PolarHBondContact O-N 2.79Å; T134-M137 VanDerWaalsContact OG1-CG 3.27Å; T134-M137 WeakPolarHBondContact OG1-CG 3.37Å; T134-M137 PolarHBondContact OG1-N 2.92Å; T134-A138 PolarHBondContact O-N 2.99Å
135	L	96.5	Very high	95.8	Very high	62 Å²	62	76.1 Å²	76.1	33%	0.325	41%	0.414	S	S	.	.	H	α-helix	trans	-58	-34.6	177.1	-173.7	64.6	0	0	0	112	K139 F173 F235 L262	L135-K139 HydrophobicContact CD1-CD 4.47Å; L135-K139 HydrophobicContact CD1-CG 4.49Å; L135-K139 HydrophobicContact CG-CD 4.14Å; L135-K139 WeakPolarHBondContact O-CB 3.43Å; L135-K139 VanDerWaalsContact O-CG 3.28Å; L135-K139 WeakPolarHBondContact O-CG 3.49Å; L135-K139 PolarHBondContact O-N 3.18Å; L135-F173 HydrophobicContact CD1-CE1 3.82Å; L135-F173 HydrophobicContact CD1-CZ 3.81Å; L135-F235 HydrophobicContact CB-CE1 4.12Å; L135-F235 HydrophobicContact CB-CZ 4.25Å; L135-F235 HydrophobicContact CD1-CD1 4.44Å; L135-F235 HydrophobicContact CD1-CE1 3.88Å; L135-F235 HydrophobicContact CD1-CZ 4.2Å; L135-L262 HydrophobicContact CD1-CD2 3.82Å
136	E	96.7	Very high	95.7	Very high	158 Å²	158	72.3 Å²	72.3	74%	0.738	40%	0.396	S	S	*	.	H	α-helix	trans	-68.6	-44.6	177.3	-64.9	176.2	178.4	0	0	112.1	T134 A138 K139 S140	T134-E136 PolarHBondContact O-N 2.57Å; E136-A138 VanDerWaalsContact C-N 3.31Å; E136-A138 PolarHBondContact O-N 3.46Å; E136-K139 PolarHBondContact O-N 3.21Å; E136-S140 VanDerWaalsContact O-CB 3.29Å; E136-S140 WeakPolarHBondContact O-CB 3.42Å; E136-S140 PolarHBondContact O-N 3.18Å; E136-S140 PolarHBondContact O-OG 2.72Å
137	M	96.7	Very high	95.8	Very high	54 Å²	54	68.3 Å²	68.3	27%	0.266	36%	0.363	S	S	.	.	H	α-helix	trans	-60.4	-43.2	174.7	-70.5	169.3	67.1	0	0	111.2	I133 T134 S140 G141 Q142 A143 P144	I133-M137 HydrophobicContact CG2-CB 4.36Å; T134-M137 HydrophobicContact CG2-SD 4.17Å; T134-M137 PolarHBondContact O-N 2.79Å; T134-M137 VanDerWaalsContact OG1-CG 3.27Å; T134-M137 WeakPolarHBondContact OG1-CG 3.37Å; T134-M137 PolarHBondContact OG1-N 2.92Å; M137-S140 PolarHBondContact O-OG 3.32Å; M137-G141 PolarHBondContact O-N 2.82Å; M137-Q142 PolarHBondContact O-N 2.93Å; M137-A143 PolarHBondContact O-N 3.45Å; M137-P144 VanDerWaalsContact CE-CD 3.47Å; M137-P144 HydrophobicContact CE-CG 4.38Å
138	A	97.2	Very high	95.9	Very high	1 Å²	1	68 Å²	68	1%	0.008	36%	0.359	C	S	.	.	H	α-helix	trans	-64.4	-49.1	178.5	0	0	0	0	0	111.9	I133 T134 E136 S140 G141 V147 F173 P174 F235	I133-A138 HydrophobicContact CG2-CB 3.91Å; T134-A138 PolarHBondContact O-N 2.99Å; E136-A138 VanDerWaalsContact C-N 3.31Å; E136-A138 PolarHBondContact O-N 3.46Å; A138-S140 PolarHBondContact O-N 3.5Å; A138-G141 PolarHBondContact O-N 3.22Å; A138-V147 HydrophobicContact CB-CG1 4.18Å; A138-V147 HydrophobicContact CB-CG2 3.88Å; A138-F173 HydrophobicContact CB-CD1 3.5Å; A138-F173 VanDerWaalsContact CB-CD1 3.5Å; A138-F173 HydrophobicContact CB-CD2 4.08Å; A138-F173 HydrophobicContact CB-CE1 3.49Å; A138-F173 VanDerWaalsContact CB-CE1 3.49Å; A138-F173 HydrophobicContact CB-CE2 4.05Å; A138-F173 HydrophobicContact CB-CG 3.79Å; A138-F173 HydrophobicContact CB-CZ 3.75Å; A138-P174 WeakPolarHBondContact O-CD 3.49Å; A138-F235 HydrophobicContact CB-CE2 3.86Å; A138-F235 HydrophobicContact CB-CZ 4.26Å
139	K	96.2	Very high	96.1	Very high	137 Å²	137	64.3 Å²	64.3	60%	0.596	34%	0.34	S	S	*	.	H	α-helix	trans	-64.8	-37.4	179.4	-75.5	179.5	177.2	177.6	0	113.4	L135 E136 G141 F173	L135-K139 HydrophobicContact CD1-CD 4.47Å; L135-K139 HydrophobicContact CD1-CG 4.49Å; L135-K139 HydrophobicContact CG-CD 4.14Å; L135-K139 WeakPolarHBondContact O-CB 3.43Å; L135-K139 VanDerWaalsContact O-CG 3.28Å; L135-K139 WeakPolarHBondContact O-CG 3.49Å; L135-K139 PolarHBondContact O-N 3.18Å; E136-K139 PolarHBondContact O-N 3.21Å; K139-G141 VanDerWaalsContact C-N 3.26Å; K139-G141 PolarHBondContact O-N 3.37Å; K139-F173 HydrophobicContact CG-CD1 4.14Å; K139-F173 HydrophobicContact CG-CE1 3.91Å
140	S	96.6	Very high	96.2	Very high	70 Å²	70	62.1 Å²	62.1	49%	0.49	33%	0.331	S	S	.	.	H	α-helix	trans	-78.8	-8.1	179.8	59.5	0	0	0	0	113.8	E136 M137 A138 Q142	E136-S140 VanDerWaalsContact O-CB 3.29Å; E136-S140 WeakPolarHBondContact O-CB 3.42Å; E136-S140 PolarHBondContact O-N 3.18Å; E136-S140 PolarHBondContact O-OG 2.72Å; M137-S140 PolarHBondContact O-OG 3.32Å; A138-S140 PolarHBondContact O-N 3.5Å; S140-Q142 PolarHBondContact O-N 2.89Å; S140-Q142 WeakPolarHBondContact OG-CG 3.27Å
141	G	93.9	Very high	96.4	Very high	42 Å²	42	56.4 Å²	56.4	43%	0.433	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	18.5	-174.5	0	0	0	0	0	113.6	M137 A138 K139	M137-G141 PolarHBondContact O-N 2.82Å; A138-G141 PolarHBondContact O-N 3.22Å; K139-G141 VanDerWaalsContact C-N 3.26Å; K139-G141 PolarHBondContact O-N 3.37Å
142	Q	95.6	Very high	96.7	Very high	146 Å²	146	53.1 Å²	53.1	68%	0.682	28%	0.279	S	S	*	.			trans	-97.7	11.9	-179.8	-59.1	-60.6	-36.7	0	0	112.6	M137 S140	M137-Q142 PolarHBondContact O-N 2.93Å; S140-Q142 PolarHBondContact O-N 2.89Å; S140-Q142 WeakPolarHBondContact OG-CG 3.27Å
143	A	95.9	Very high	96.8	Very high	23 Å²	23	46.5 Å²	46.5	19%	0.19	26%	0.255	C	S	.	.			trans	-64.4	135.7	174.5	0	0	0	0	0	110.1	I133 M137 R145 V147	I133-A143 HydrophobicContact CD1-CB 3.99Å; I133-A143 HydrophobicContact CG1-CB 4.38Å; I133-A143 HydrophobicContact CG2-CB 4.19Å; M137-A143 PolarHBondContact O-N 3.45Å; A143-R145 WeakPolarHBondContact CB-O 3.27Å; A143-R145 PolarHBondContact O-N 3.32Å; A143-R145 VanDerWaalsContact O-N 3.15Å; A143-V147 HydrophobicContact CB-CG2 3.95Å
144	P	95.2	Very high	96.8	Very high	79 Å²	79	46.5 Å²	46.5	51%	0.513	26%	0.256	S	S	.	.	S	Bend	trans	-72	-7.1	-177.4	29.4	-35.9	0	0	0	113.5	I131 M137	I131-P144 HydrophobicContact CD1-CG 4.14Å; I131-P144 HydrophobicContact CG2-CG 3.98Å; M137-P144 VanDerWaalsContact CE-CD 3.47Å; M137-P144 HydrophobicContact CE-CG 4.38Å
145	R	95.3	Very high	96.9	Very high	37 Å²	37	43.7 Å²	43.7	14%	0.14	24%	0.238	C	C	.	.	S	Bend	trans	-150.7	166.5	177.1	61.9	170.1	173.4	76.2	2.8	109.2	D128 I131 I133 A143 V147 D234	D128-R145 VanDerWaalsContact O-CD 3.28Å; D128-R145 WeakPolarHBondContact O-CD 3.18Å; D128-R145 PolarHBondContact O-NE 2.76Å; I131-R145 PolarHBondContact O-NH2 3.23Å; I133-R145 HydrophobicContact CD1-CG 3.92Å; I133-R145 VanDerWaalsContact CD1-NH1 3.34Å; A143-R145 WeakPolarHBondContact CB-O 3.27Å; A143-R145 PolarHBondContact O-N 3.32Å; A143-R145 VanDerWaalsContact O-N 3.15Å; R145-V147 PolarHBondContact O-N 2.85Å; R145-D234 IonicContact CZ-OD1 3.86Å; R145-D234 IonicContact CZ-OD2 3.61Å; R145-D234 IonicContact NH1-OD1 3.16Å; R145-D234 PolarHBondContact NH1-OD1 3.13Å; R145-D234 IonicContact NH1-OD2 3.73Å; R145-D234 PolarHBondContact NH1-OD2 2.82Å; R145-D234 IonicContact NH2-OD1 3.77Å; R145-D234 PolarHBondContact NH2-OD1 3.26Å; R145-D234 IonicContact NH2-OD2 2.8Å
146	Q	95.4	Very high	97	Very high	62 Å²	62	41.2 Å²	41.2	29%	0.29	23%	0.226	S	C	.	.			trans	-54.7	135.2	173.4	-170.4	167.3	60.3	0	0	111.5	D175	Q146-D175 WeakPolarHBondContact CA-OD2 3.37Å; Q146-D175 WeakPolarHBondContact CB-OD2 3.38Å; Q146-D175 WeakPolarHBondContact CG-OD1 3.32Å; Q146-D175 PolarHBondContact NE2-OD1 3.34Å
147	V	98	Very high	97.1	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.024	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	120.3	-178	-172.9	0	0	0	0	109.1	I133 A138 A143 R145 V149 F173 D175 T176 Y177 D234 F235	I133-V147 HydrophobicContact CD1-CG2 4.26Å; I133-V147 HydrophobicContact CG2-CG2 4.33Å; A138-V147 HydrophobicContact CB-CG1 4.18Å; A138-V147 HydrophobicContact CB-CG2 3.88Å; A143-V147 HydrophobicContact CB-CG2 3.95Å; R145-V147 PolarHBondContact O-N 2.85Å; V147-V149 HydrophobicContact CG1-CG2 4.3Å; V147-V149 PolarHBondContact O-N 3.38Å; V147-F173 HydrophobicContact CB-CD2 3.96Å; V147-F173 HydrophobicContact CG1-CD2 3.54Å; V147-F173 HydrophobicContact CG1-CE2 3.68Å; V147-F173 HydrophobicContact CG1-CG 4.44Å; V147-F173 HydrophobicContact CG2-CB 4.46Å; V147-F173 HydrophobicContact CG2-CD2 4.36Å; V147-D175 PolarHBondContact N-O 3.18Å; V147-T176 CarbonylContact O-C 3.52Å; V147-T176 WeakPolarHBondContact O-CA 3.46Å; V147-Y177 PolarHBondContact O-N 3.26Å; V147-D234 HydrophobicContact CG1-CB 4.18Å; V147-F235 HydrophobicContact CG1-CD2 3.59Å; V147-F235 HydrophobicContact CG1-CE2 3.69Å
148	R	98.4	Very high	97.1	Very high	7 Å²	7	36.9 Å²	36.9	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	105.7	-177.9	-66.9	179.5	65.1	81.1	-2	109.5	C127 Y177 I179 E214 H231 K232 D234 F235	C127-R148 WeakPolarHBondContact SG-CD 3.42Å; R148-Y177 WeakPolarHBondContact CA-O 3.39Å; R148-Y177 VanDerWaalsContact NH1-CE1 3.26Å; R148-I179 HydrophobicContact CB-CD1 4.33Å; R148-E214 IonicContact NH2-OE2 2.97Å; R148-E214 PolarHBondContact NH2-OE2 3.47Å; R148-H231 PolarHBondContact NE-O 3.31Å; R148-H231 VanDerWaalsContact NE-O 3.13Å; R148-H231 PolarHBondContact NH2-O 2.69Å; R148-K232 WeakPolarHBondContact CB-O 3.38Å; R148-K232 WeakPolarHBondContact CD-O 3.42Å; R148-K232 PolarHBondContact NE-O 2.88Å; R148-K232 VanDerWaalsContact NE-O 3.13Å; R148-D234 PolarHBondContact N-OD2 2.84Å; R148-D234 WeakPolarHBondContact O-CB 3.4Å; R148-D234 PolarHBondContact O-N 3.16Å; R148-F235 PolarHBondContact O-N 3.19Å
149	V	98.7	Very high	97.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	131.9	177.8	178.1	0	0	0	0	108.5	V147 A169 F173 T176 Y177 L178 I179 F235 A237 L262	V147-V149 HydrophobicContact CG1-CG2 4.3Å; V147-V149 PolarHBondContact O-N 3.38Å; V149-A169 HydrophobicContact CG1-CB 4.27Å; V149-F173 HydrophobicContact CG2-CD2 3.89Å; V149-F173 HydrophobicContact CG2-CE2 3.76Å; V149-T176 HydrophobicContact CB-CG2 3.86Å; V149-T176 HydrophobicContact CG2-CG2 3.6Å; V149-Y177 PolarHBondContact N-O 3.38Å; V149-L178 HydrophobicContact CB-CD1 4.41Å; V149-L178 HydrophobicContact CG1-CD1 4.2Å; V149-L178 WeakPolarHBondContact O-CA 3.36Å; V149-I179 PolarHBondContact O-N 3.37Å; V149-F235 CarbonylContact C-O 3.56Å; V149-F235 WeakPolarHBondContact CA-O 3.45Å; V149-F235 HydrophobicContact CG2-CB 4.41Å; V149-A237 HydrophobicContact CG1-CB 3.8Å; V149-L262 HydrophobicContact CG1-CD1 4.14Å; V149-L262 HydrophobicContact CG2-CD1 4.16Å
150	Y	98.9	Very high	97.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	135.1	174.3	178	-109.6	0	0	0	110.1	D152 I179 G181 I216 A219 I223 F227 I233 F235 V236 A237	Y150-D152 HydrophobicContact CE1-CB 3.62Å; Y150-D152 WeakPolarHBondContact OH-CB 3.22Å; Y150-I179 CarbonylContact C-O 3.57Å; Y150-I179 VanDerWaalsContact CA-O 3.3Å; Y150-I179 WeakPolarHBondContact CA-O 3.4Å; Y150-I179 HydrophobicContact CD2-CB 4.13Å; Y150-I179 HydrophobicContact CD2-CG2 3.92Å; Y150-I179 HydrophobicContact CE2-CG2 4.43Å; Y150-G181 WeakPolarHBondContact OH-CA 3.23Å; Y150-I216 HydrophobicContact CD2-CD1 4.46Å; Y150-I216 HydrophobicContact CE2-CD1 4.07Å; Y150-A219 WeakPolarHBondContact OH-CB 3.25Å; Y150-I223 HydrophobicContact CD1-CD1 3.94Å; Y150-I223 HydrophobicContact CE1-CD1 3.7Å; Y150-I223 HydrophobicContact CE1-CG1 4.09Å; Y150-F227 HydrophobicContact CD1-CE1 4.39Å; Y150-F227 HydrophobicContact CD2-CE1 4.32Å; Y150-F227 AromaticContact CE1-CE1 3.92Å; Y150-F227 HydrophobicContact CE1-CE1 3.92Å; Y150-F227 HydrophobicContact CE1-CZ 4.47Å; Y150-F227 AromaticContact CE2-CE1 3.84Å; Y150-F227 HydrophobicContact CE2-CE1 3.84Å; Y150-F227 AromaticContact CE2-CZ 3.8Å; Y150-F227 HydrophobicContact CE2-CZ 3.8Å; Y150-F227 AromaticContact CZ-CE1 3.6Å; Y150-F227 AromaticContact CZ-CZ 3.72Å; Y150-I233 HydrophobicContact CD1-CD1 4.27Å; Y150-I233 HydrophobicContact CD2-CD1 3.91Å; Y150-I233 HydrophobicContact CG-CD1 3.71Å; Y150-I233 HydrophobicContact CG-CG1 4.45Å; Y150-F235 PolarHBondContact N-O 3.08Å; Y150-V236 HydrophobicContact CD1-CG1 4.21Å; Y150-V236 HydrophobicContact CD1-CG2 4.19Å; Y150-V236 CarbonylContact O-C 3.58Å; Y150-V236 VanDerWaalsContact O-CA 3.26Å; Y150-V236 WeakPolarHBondContact O-CA 3.43Å; Y150-A237 PolarHBondContact O-N 3.48Å
151	A	98.7	Very high	97.3	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.008	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.2	167.5	0	0	0	0	0	108.7	L166 A169 L178 I179 V180 G181 A237	A151-L166 HydrophobicContact CB-CD2 4.05Å; A151-A169 HydrophobicContact CB-CB 4.4Å; A151-L178 HydrophobicContact CB-CD1 4.21Å; A151-I179 PolarHBondContact N-O 3.41Å; A151-V180 CarbonylContact O-C 3.56Å; A151-V180 VanDerWaalsContact O-CA 3.23Å; A151-V180 WeakPolarHBondContact O-CA 3.45Å; A151-G181 PolarHBondContact O-N 3.04Å; A151-A237 HydrophobicContact CB-CB 4.46Å; A151-A237 WeakPolarHBondContact CB-O 3.5Å
152	D	98.3	Very high	97.5	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.027	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	161.8	-178.4	56.8	-16.6	0	0	0	113.9	Y150 Y155 G181 H238 Y252	Y150-D152 HydrophobicContact CE1-CB 3.62Å; Y150-D152 WeakPolarHBondContact OH-CB 3.22Å; D152-Y155 PolarHBondContact O-OH 2.71Å; D152-G181 VanDerWaalsContact CA-O 3.27Å; D152-G181 WeakPolarHBondContact CA-O 3.3Å; D152-H238 IonicContact OD1-CD2 2.62Å; D152-Y252 PolarHBondContact OD1-OH 3.45Å; D152-Y252 VanDerWaalsContact OD1-OH 3.12Å
153	G	97.6	Very high	97.6	Very high	17 Å²	17	24.9 Å²	24.9	18%	0.175	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.1	177.7	173.8	0	0	0	0	0	114.1	Y155 G181 V182 S183	G153-Y155 VanDerWaalsContact N-CE2 3.35Å; G153-Y155 VanDerWaalsContact O-CD2 3.25Å; G153-Y155 WeakPolarHBondContact O-CD2 3.12Å; G153-G181 PolarHBondContact N-O 3.14Å; G153-V182 WeakPolarHBondContact O-CA 3.2Å; G153-S183 PolarHBondContact O-N 2.81Å
154	A	97.6	Very high	97.7	Very high	6 Å²	6	30.2 Å²	30.2	5%	0.05	16%	0.159	C	C	.	.			trans	-71.8	-37.1	174.6	0	0	0	0	0	112.4	D156 V188 K192 R202	A154-D156 PolarHBondContact O-N 3.3Å; A154-D156 VanDerWaalsContact O-N 3.13Å; A154-V188 HydrophobicContact CB-CG1 3.85Å; A154-V188 HydrophobicContact CB-CG2 3.81Å; A154-K192 HydrophobicContact CB-CD 4.44Å; A154-R202 WeakPolarHBondContact O-CD 3.26Å; A154-R202 PolarHBondContact O-NH1 3.22Å
155	Y	98.3	Very high	97.9	Very high	7 Å²	7	27.6 Å²	27.6	3%	0.027	14%	0.14	C	C	.	.			trans	51.8	31.3	-179.1	-58.7	-65.4	0	0	0	116.2	D152 G153 H162 L166 V180 G181 V182 I206	D152-Y155 PolarHBondContact O-OH 2.71Å; G153-Y155 VanDerWaalsContact N-CE2 3.35Å; G153-Y155 VanDerWaalsContact O-CD2 3.25Å; G153-Y155 WeakPolarHBondContact O-CD2 3.12Å; Y155-H162 HydrophobicContact CD1-CB 4.01Å; Y155-H162 AromaticContact CD1-CD2 3.96Å; Y155-H162 AromaticContact CD1-CG 3.89Å; Y155-H162 HydrophobicContact CE1-CB 4.44Å; Y155-L166 HydrophobicContact CE1-CD2 4.31Å; Y155-V180 HydrophobicContact CD2-CG1 4.21Å; Y155-V180 HydrophobicContact CE2-CG1 3.4Å; Y155-G181 WeakPolarHBondContact CE2-O 3.26Å; Y155-V182 HydrophobicContact CD2-CB 4.49Å; Y155-V182 HydrophobicContact CD2-CG1 4.3Å; Y155-V182 HydrophobicContact CD2-CG2 3.96Å; Y155-V182 HydrophobicContact CE2-CG2 4.45Å; Y155-I206 HydrophobicContact CD1-CD1 3.73Å; Y155-I206 HydrophobicContact CD2-CD1 3.75Å; Y155-I206 HydrophobicContact CD2-CG1 4.09Å; Y155-I206 HydrophobicContact CE1-CD1 4.32Å; Y155-I206 HydrophobicContact CE2-CD1 4.31Å; Y155-I206 HydrophobicContact CG-CD1 3.4Å; Y155-I206 VanDerWaalsContact CG-CD1 3.4Å; Y155-I206 HydrophobicContact CG-CG1 4.01Å
156	D	98.2	Very high	98	Very high	10 Å²	10	25.9 Å²	25.9	5%	0.053	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	142.8	177.7	-172.2	27.7	0	0	0	112.1	A154 F158 H162 T195 V196 M197 T272	A154-D156 PolarHBondContact O-N 3.3Å; A154-D156 VanDerWaalsContact O-N 3.13Å; D156-F158 PolarHBondContact O-N 3.47Å; D156-H162 PolarHBondContact O-CE1 3.46Å; D156-T195 HydrophobicContact CB-CG2 4.12Å; D156-T195 VanDerWaalsContact OD2-CA 3.3Å; D156-T195 WeakPolarHBondContact OD2-CA 3.39Å; D156-V196 PolarHBondContact OD1-N 2.93Å; D156-V196 PolarHBondContact OD2-N 3.48Å; D156-M197 WeakPolarHBondContact OD1-CB 3.42Å; D156-M197 WeakPolarHBondContact OD1-CG 3.42Å; D156-M197 PolarHBondContact OD1-N 3.31Å; D156-T272 HydrophobicContact CB-CG2 4.33Å; D156-T272 PolarHBondContact O-OG1 2.9Å
157	M	97.6	Very high	98.2	Very high	57 Å²	57	26.7 Å²	26.7	28%	0.281	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	58.5	-174.7	-66.4	-69.4	-67.9	0	0	112.1	H159 V196 M197 T272 V275	M157-H159 WeakPolarHBondContact O-CB 3.32Å; M157-H159 PolarHBondContact O-CD2 2.66Å; M157-H159 PolarHBondContact O-N 3.28Å; M157-H159 VanDerWaalsContact O-N 3.1Å; M157-V196 HydrophobicContact CG-CB 3.87Å; M157-V196 HydrophobicContact CG-CG1 4.24Å; M157-V196 HydrophobicContact CG-CG2 4.24Å; M157-V196 HydrophobicContact SD-CB 3.99Å; M157-V196 HydrophobicContact SD-CG1 3.69Å; M157-M197 HydrophobicContact CG-CG 4.36Å; M157-M197 HydrophobicContact SD-CG 3.87Å; M157-M197 HydrophobicContact SD-SD 3.85Å; M157-T272 HydrophobicContact CB-CG2 4.22Å; M157-T272 HydrophobicContact CG-CG2 4.29Å; M157-V275 HydrophobicContact CE-CG1 4.31Å
158	F	98.2	Very high	98.2	Very high	64 Å²	64	29.6 Å²	29.6	28%	0.281	15%	0.151	S	C	.	.			trans	-46.6	117.6	-171.5	-171.3	-97.5	0	0	0	113.1	D156 H162 A163 L166 A205 I206 C209	D156-F158 PolarHBondContact O-N 3.47Å; F158-H162 HydrophobicContact CD2-CB 3.69Å; F158-H162 AromaticContact CD2-ND1 3.97Å; F158-H162 HydrophobicContact CE2-CB 3.41Å; F158-H162 VanDerWaalsContact CE2-CB 3.41Å; F158-H162 HydrophobicContact CZ-CB 4.15Å; F158-A163 HydrophobicContact CE1-CB 4.25Å; F158-A163 HydrophobicContact CZ-CB 4.03Å; F158-L166 HydrophobicContact CE2-CD1 4.07Å; F158-L166 HydrophobicContact CZ-CD1 4.3Å; F158-A205 HydrophobicContact CB-CB 3.97Å; F158-I206 HydrophobicContact CD2-CD1 3.47Å; F158-I206 VanDerWaalsContact CD2-CD1 3.47Å; F158-I206 HydrophobicContact CD2-CG1 4.35Å; F158-I206 HydrophobicContact CE2-CD1 3.33Å; F158-I206 HydrophobicContact CZ-CD1 4.38Å; F158-C209 HydrophobicContact CE1-CB 4.29Å; F158-C209 HydrophobicContact CZ-CB 3.82Å
159	H	97.7	Very high	98.2	Very high	26 Å²	26	29.3 Å²	29.3	12%	0.12	15%	0.15	C	C	.	.			trans	-134.9	173.8	-171.5	58.1	54.1	0	0	0	111.9	M157 G161 H162 A163 I270 T272	M157-H159 WeakPolarHBondContact O-CB 3.32Å; M157-H159 PolarHBondContact O-CD2 2.66Å; M157-H159 PolarHBondContact O-N 3.28Å; M157-H159 VanDerWaalsContact O-N 3.1Å; H159-G161 PolarHBondContact ND1-N 2.98Å; H159-G161 PolarHBondContact O-N 3.24Å; H159-G161 VanDerWaalsContact O-N 3.08Å; H159-H162 AromaticContact CD2-CE1 3.74Å; H159-H162 AromaticContact CD2-ND1 4Å; H159-H162 AromaticContact CE1-CD2 3.81Å; H159-H162 AromaticContact CE1-CE1 3.46Å; H159-H162 PolarHBondContact CE1-CE1 2.95Å; H159-H162 VanDerWaalsContact CE1-CE1 3.46Å; H159-H162 AromaticContact CE1-CG 3.86Å; H159-H162 AromaticContact CE1-ND1 3.67Å; H159-H162 AromaticContact CE1-NE2 3.55Å; H159-H162 AromaticContact CG-ND1 3.97Å; H159-H162 AromaticContact ND1-CE1 3.98Å; H159-H162 AromaticContact ND1-CG 3.99Å; H159-H162 PolarHBondContact ND1-N 2.74Å; H159-H162 AromaticContact ND1-ND1 3.77Å; H159-H162 AromaticContact NE2-CE1 3.31Å; H159-H162 PolarHBondContact NE2-CE1 2.93Å; H159-H162 VanDerWaalsContact NE2-CE1 3.31Å; H159-H162 AromaticContact NE2-ND1 3.85Å; H159-H162 AromaticContact NE2-NE2 3.64Å; H159-H162 WeakPolarHBondContact O-CB 3.34Å; H159-H162 PolarHBondContact O-N 2.87Å; H159-A163 PolarHBondContact O-N 3.45Å; H159-I270 HydrophobicContact CB-CD1 3.77Å; H159-I270 HydrophobicContact CB-CG1 4.4Å; H159-T272 PolarHBondContact NE2-N 2.71Å
160	S	97.6	Very high	98.1	Very high	58 Å²	58	29.9 Å²	29.9	41%	0.406	15%	0.153	S	C	.	.	H	α-helix	trans	-57.2	-30.1	-175	62.2	0	0	0	0	114.2	A163 R164 I270	S160-A163 PolarHBondContact O-N 2.71Å; S160-R164 WeakPolarHBondContact O-CB 3.34Å; S160-R164 WeakPolarHBondContact O-CG 3.28Å; S160-R164 PolarHBondContact O-N 2.76Å; S160-I270 WeakPolarHBondContact OG-CD1 3.42Å
161	G	98	Very high	98.1	Very high	8 Å²	8	33.4 Å²	33.4	8%	0.082	18%	0.177	C	C	.	.	H	α-helix	trans	-57.8	-47	171.4	0	0	0	0	0	113.8	H159 R164 Q165	H159-G161 PolarHBondContact ND1-N 2.98Å; H159-G161 PolarHBondContact O-N 3.24Å; H159-G161 VanDerWaalsContact O-N 3.08Å; G161-R164 PolarHBondContact O-N 3.14Å; G161-Q165 PolarHBondContact O-N 3.16Å; G161-Q165 VanDerWaalsContact O-N 3.08Å
162	H	98.5	Very high	98	Very high	30 Å²	30	35.3 Å²	35.3	14%	0.139	19%	0.192	C	C	.	.	H	α-helix	trans	-64	-45.8	175	-59.3	140	0	0	0	110.9	Y155 D156 F158 H159 R164 Q165 L166	Y155-H162 HydrophobicContact CD1-CB 4.01Å; Y155-H162 AromaticContact CD1-CD2 3.96Å; Y155-H162 AromaticContact CD1-CG 3.89Å; Y155-H162 HydrophobicContact CE1-CB 4.44Å; D156-H162 PolarHBondContact O-CE1 3.46Å; F158-H162 HydrophobicContact CD2-CB 3.69Å; F158-H162 AromaticContact CD2-ND1 3.97Å; F158-H162 HydrophobicContact CE2-CB 3.41Å; F158-H162 VanDerWaalsContact CE2-CB 3.41Å; F158-H162 HydrophobicContact CZ-CB 4.15Å; H159-H162 AromaticContact CD2-CE1 3.74Å; H159-H162 AromaticContact CD2-ND1 4Å; H159-H162 AromaticContact CE1-CD2 3.81Å; H159-H162 AromaticContact CE1-CE1 3.46Å; H159-H162 PolarHBondContact CE1-CE1 2.95Å; H159-H162 VanDerWaalsContact CE1-CE1 3.46Å; H159-H162 AromaticContact CE1-CG 3.86Å; H159-H162 AromaticContact CE1-ND1 3.67Å; H159-H162 AromaticContact CE1-NE2 3.55Å; H159-H162 AromaticContact CG-ND1 3.97Å; H159-H162 AromaticContact ND1-CE1 3.98Å; H159-H162 AromaticContact ND1-CG 3.99Å; H159-H162 PolarHBondContact ND1-N 2.74Å; H159-H162 AromaticContact ND1-ND1 3.77Å; H159-H162 AromaticContact NE2-CE1 3.31Å; H159-H162 PolarHBondContact NE2-CE1 2.93Å; H159-H162 VanDerWaalsContact NE2-CE1 3.31Å; H159-H162 AromaticContact NE2-ND1 3.85Å; H159-H162 AromaticContact NE2-NE2 3.64Å; H159-H162 WeakPolarHBondContact O-CB 3.34Å; H159-H162 PolarHBondContact O-N 2.87Å; H162-R164 VanDerWaalsContact C-N 3.26Å; H162-R164 PolarHBondContact O-N 3.39Å; H162-Q165 WeakPolarHBondContact O-CB 3.48Å; H162-Q165 PolarHBondContact O-N 3.32Å; H162-Q165 VanDerWaalsContact O-N 3.13Å; H162-L166 WeakPolarHBondContact O-CG 3.43Å; H162-L166 PolarHBondContact O-N 2.95Å
163	A	98.2	Very high	98	Very high	22 Å²	22	35.5 Å²	35.5	18%	0.182	19%	0.193	C	C	.	.	H	α-helix	trans	-59.1	-36.2	178	0	0	0	0	0	112.9	F158 H159 S160 M167 Y211	F158-A163 HydrophobicContact CE1-CB 4.25Å; F158-A163 HydrophobicContact CZ-CB 4.03Å; H159-A163 PolarHBondContact O-N 3.45Å; S160-A163 PolarHBondContact O-N 2.71Å; A163-M167 WeakPolarHBondContact O-CB 3.47Å; A163-M167 PolarHBondContact O-N 2.84Å; A163-Y211 WeakPolarHBondContact O-CD2 3.49Å; A163-Y211 WeakPolarHBondContact O-CE2 3.27Å
164	R	98.2	Very high	97.8	Very high	134 Å²	134	39.6 Å²	39.6	51%	0.506	22%	0.217	S	C	.	.	H	α-helix	trans	-73	-34.6	175.7	-76.4	176.8	-179.7	160	0.9	113.2	S160 G161 H162 M167 Q168 T267	S160-R164 WeakPolarHBondContact O-CB 3.34Å; S160-R164 WeakPolarHBondContact O-CG 3.28Å; S160-R164 PolarHBondContact O-N 2.76Å; G161-R164 PolarHBondContact O-N 3.14Å; H162-R164 VanDerWaalsContact C-N 3.26Å; H162-R164 PolarHBondContact O-N 3.39Å; R164-M167 PolarHBondContact O-N 2.98Å; R164-Q168 WeakPolarHBondContact O-CG 3.24Å; R164-Q168 PolarHBondContact O-N 3.23Å; R164-Q168 VanDerWaalsContact O-N 3.1Å; R164-Q168 PolarHBondContact O-NE2 3.18Å; R164-Q168 VanDerWaalsContact O-NE2 3.16Å; R164-T267 WeakPolarHBondContact CD-OG1 3.5Å
165	Q	98.5	Very high	97.7	Very high	25 Å²	25	43.1 Å²	43.1	12%	0.117	24%	0.235	C	C	.	.	H	α-helix	trans	-62.1	-48.8	171	-175.9	-160.3	23.9	0	0	110.2	G161 H162 M167 Q168 A169 T264	G161-Q165 PolarHBondContact O-N 3.16Å; G161-Q165 VanDerWaalsContact O-N 3.08Å; H162-Q165 WeakPolarHBondContact O-CB 3.48Å; H162-Q165 PolarHBondContact O-N 3.32Å; H162-Q165 VanDerWaalsContact O-N 3.13Å; Q165-M167 VanDerWaalsContact C-N 3.31Å; Q165-M167 PolarHBondContact O-N 3.43Å; Q165-Q168 WeakPolarHBondContact O-CB 3.44Å; Q165-Q168 PolarHBondContact O-N 3.5Å; Q165-Q168 VanDerWaalsContact O-N 3.1Å; Q165-A169 PolarHBondContact O-N 2.73Å; Q165-T264 HydrophobicContact CG-CG2 4.4Å
166	L	98.6	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.4	-34.1	178.5	-63	178.4	0	0	0	112.3	A151 Y155 F158 H162 A169 K170 L178 V180 I206 C209 V212	A151-L166 HydrophobicContact CB-CD2 4.05Å; Y155-L166 HydrophobicContact CE1-CD2 4.31Å; F158-L166 HydrophobicContact CE2-CD1 4.07Å; F158-L166 HydrophobicContact CZ-CD1 4.3Å; H162-L166 WeakPolarHBondContact O-CG 3.43Å; H162-L166 PolarHBondContact O-N 2.95Å; L166-A169 PolarHBondContact O-N 3.42Å; L166-K170 WeakPolarHBondContact O-CB 3.44Å; L166-K170 PolarHBondContact O-N 2.9Å; L166-L178 HydrophobicContact CB-CD2 4.11Å; L166-L178 HydrophobicContact CD2-CD2 4.26Å; L166-L178 WeakPolarHBondContact O-CD2 3.44Å; L166-V180 HydrophobicContact CD1-CG2 4.37Å; L166-V180 HydrophobicContact CD2-CG1 4.2Å; L166-V180 HydrophobicContact CD2-CG2 3.57Å; L166-I206 HydrophobicContact CD1-CD1 4.13Å; L166-C209 HydrophobicContact CD1-CB 4.37Å; L166-V212 HydrophobicContact CD1-CG2 3.79Å
167	M	98	Very high	97.6	Very high	79 Å²	79	42.7 Å²	42.7	39%	0.389	23%	0.233	S	C	.	.	H	α-helix	trans	-59	-45.9	170	-178.7	177.8	167.4	0	0	111.8	A163 R164 Q165 A169 K170 C171 Y211	A163-M167 WeakPolarHBondContact O-CB 3.47Å; A163-M167 PolarHBondContact O-N 2.84Å; R164-M167 PolarHBondContact O-N 2.98Å; Q165-M167 VanDerWaalsContact C-N 3.31Å; Q165-M167 PolarHBondContact O-N 3.43Å; M167-A169 VanDerWaalsContact C-N 3.33Å; M167-A169 PolarHBondContact O-N 2.84Å; M167-K170 PolarHBondContact O-N 2.93Å; M167-C171 VanDerWaalsContact O-CB 3.26Å; M167-C171 WeakPolarHBondContact O-CB 3.29Å; M167-C171 PolarHBondContact O-N 3.42Å; M167-C171 PolarHBondContact O-SG 3.2Å; M167-C171 VanDerWaalsContact O-SG 3.39Å; M167-Y211 HydrophobicContact CB-CD1 4.07Å; M167-Y211 HydrophobicContact CB-CD2 3.9Å; M167-Y211 HydrophobicContact CB-CE1 3.8Å; M167-Y211 HydrophobicContact CB-CE2 3.64Å; M167-Y211 HydrophobicContact CB-CG 4.12Å; M167-Y211 HydrophobicContact CG-CD1 4.18Å; M167-Y211 HydrophobicContact CG-CE1 3.58Å; M167-Y211 HydrophobicContact CG-CE2 4.22Å; M167-Y211 HydrophobicContact SD-CE1 4.21Å; M167-Y211 PolarHBondContact SD-OH 3.16Å; M167-Y211 VanDerWaalsContact SD-OH 3.39Å
168	Q	98.5	Very high	97.7	Very high	66 Å²	66	40 Å²	40	31%	0.308	22%	0.219	S	C	.	.	H	α-helix	trans	-61.4	-43.3	177.8	-70.8	169	73.4	0	0	111.2	R164 Q165 C171 A172 T264 Q265	R164-Q168 WeakPolarHBondContact O-CG 3.24Å; R164-Q168 PolarHBondContact O-N 3.23Å; R164-Q168 VanDerWaalsContact O-N 3.1Å; R164-Q168 PolarHBondContact O-NE2 3.18Å; R164-Q168 VanDerWaalsContact O-NE2 3.16Å; Q165-Q168 WeakPolarHBondContact O-CB 3.44Å; Q165-Q168 PolarHBondContact O-N 3.5Å; Q165-Q168 VanDerWaalsContact O-N 3.1Å; Q168-C171 CarbonylContact O-C 3.55Å; Q168-C171 PolarHBondContact O-N 3.05Å; Q168-A172 PolarHBondContact O-N 3.49Å; Q168-T264 HydrophobicContact CB-CG2 4.2Å; Q168-Q265 PolarHBondContact NE2-O 2.81Å
169	A	98.5	Very high	97.7	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-47.4	176.8	0	0	0	0	0	112.1	V149 A151 Q165 L166 M167 C171 A172 L178 A237	V149-A169 HydrophobicContact CG1-CB 4.27Å; A151-A169 HydrophobicContact CB-CB 4.4Å; Q165-A169 PolarHBondContact O-N 2.73Å; L166-A169 PolarHBondContact O-N 3.42Å; M167-A169 VanDerWaalsContact C-N 3.33Å; M167-A169 PolarHBondContact O-N 2.84Å; A169-C171 VanDerWaalsContact C-N 3.28Å; A169-C171 PolarHBondContact O-N 3.22Å; A169-A172 WeakPolarHBondContact O-CB 3.46Å; A169-A172 PolarHBondContact O-N 2.83Å; A169-L178 HydrophobicContact CB-CD1 3.62Å; A169-L178 HydrophobicContact CB-CD2 4.2Å; A169-A237 HydrophobicContact CB-CB 3.78Å
170	K	97.6	Very high	97.8	Very high	11 Å²	11	35.7 Å²	35.7	5%	0.048	20%	0.2	C	C	.	.	H	α-helix	trans	-64.3	-30.4	177.7	-179.5	59.4	174.6	-175	0	113.1	L106 L166 M167 T176 L178 Y211 D213	L106-K170 HydrophobicContact CD2-CG 4.05Å; L166-K170 WeakPolarHBondContact O-CB 3.44Å; L166-K170 PolarHBondContact O-N 2.9Å; M167-K170 PolarHBondContact O-N 2.93Å; K170-T176 PolarHBondContact NZ-O 2.8Å; K170-T176 VanDerWaalsContact O-CB 3.24Å; K170-T176 WeakPolarHBondContact O-CB 3.46Å; K170-T176 PolarHBondContact O-OG1 3.38Å; K170-L178 HydrophobicContact CB-CB 4.33Å; K170-L178 HydrophobicContact CB-CD2 3.94Å; K170-L178 HydrophobicContact CD-CB 4.04Å; K170-Y211 HydrophobicContact CB-CD1 4.41Å; K170-Y211 WeakPolarHBondContact CD-O 3.27Å; K170-Y211 HydrophobicContact CG-CD1 4.41Å; K170-Y211 WeakPolarHBondContact CG-O 3.45Å; K170-D213 IonicContact NZ-OD1 2.98Å; K170-D213 PolarHBondContact NZ-OD1 2.78Å; K170-D213 IonicContact NZ-OD2 3.76Å; K170-D213 PolarHBondContact NZ-OD2 3.16Å
171	C	97	Very high	97.8	Very high	75 Å²	75	32.9 Å²	32.9	51%	0.507	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	8.9	-179.5	-64	0	0	0	0	113.4	M167 Q168 A169 F173	M167-C171 VanDerWaalsContact O-CB 3.26Å; M167-C171 WeakPolarHBondContact O-CB 3.29Å; M167-C171 PolarHBondContact O-N 3.42Å; M167-C171 PolarHBondContact O-SG 3.2Å; M167-C171 VanDerWaalsContact O-SG 3.39Å; Q168-C171 CarbonylContact O-C 3.55Å; Q168-C171 PolarHBondContact O-N 3.05Å; A169-C171 VanDerWaalsContact C-N 3.28Å; A169-C171 PolarHBondContact O-N 3.22Å; C171-F173 PolarHBondContact O-N 3.29Å
172	A	97.4	Very high	97.9	Very high	40 Å²	40	32.5 Å²	32.5	33%	0.331	18%	0.177	S	C	.	.	S	Bend	trans	-63	-32.4	-179.3	0	0	0	0	0	112.4	Q168 A169 L262	Q168-A172 PolarHBondContact O-N 3.49Å; A169-A172 WeakPolarHBondContact O-CB 3.46Å; A169-A172 PolarHBondContact O-N 2.83Å; A172-L262 HydrophobicContact CB-CD1 4.12Å
173	F	97.5	Very high	97.8	Very high	10 Å²	10	31.3 Å²	31.3	4%	0.044	17%	0.172	C	C	.	.	S	Bend	trans	-135.6	159.4	177.6	-48.1	-64	0	0	0	111.8	L135 A138 K139 V147 V149 C171 D175 T176 F235 L262	L135-F173 HydrophobicContact CD1-CE1 3.82Å; L135-F173 HydrophobicContact CD1-CZ 3.81Å; A138-F173 HydrophobicContact CB-CD1 3.5Å; A138-F173 VanDerWaalsContact CB-CD1 3.5Å; A138-F173 HydrophobicContact CB-CD2 4.08Å; A138-F173 HydrophobicContact CB-CE1 3.49Å; A138-F173 VanDerWaalsContact CB-CE1 3.49Å; A138-F173 HydrophobicContact CB-CE2 4.05Å; A138-F173 HydrophobicContact CB-CG 3.79Å; A138-F173 HydrophobicContact CB-CZ 3.75Å; K139-F173 HydrophobicContact CG-CD1 4.14Å; K139-F173 HydrophobicContact CG-CE1 3.91Å; V147-F173 HydrophobicContact CB-CD2 3.96Å; V147-F173 HydrophobicContact CG1-CD2 3.54Å; V147-F173 HydrophobicContact CG1-CE2 3.68Å; V147-F173 HydrophobicContact CG1-CG 4.44Å; V147-F173 HydrophobicContact CG2-CB 4.46Å; V147-F173 HydrophobicContact CG2-CD2 4.36Å; V149-F173 HydrophobicContact CG2-CD2 3.89Å; V149-F173 HydrophobicContact CG2-CE2 3.76Å; C171-F173 PolarHBondContact O-N 3.29Å; F173-D175 VanDerWaalsContact C-N 3.32Å; F173-D175 PolarHBondContact O-N 3.06Å; F173-T176 WeakPolarHBondContact CB-OG1 3.45Å; F173-T176 PolarHBondContact N-OG1 2.92Å; F173-T176 PolarHBondContact O-OG1 3.08Å; F173-F235 AromaticContact CE2-CD2 3.5Å; F173-F235 HydrophobicContact CE2-CD2 3.5Å; F173-F235 AromaticContact CE2-CE2 3.88Å; F173-F235 HydrophobicContact CE2-CE2 3.88Å; F173-F235 HydrophobicContact CE2-CG 4.1Å; F173-F235 AromaticContact CZ-CD2 3.78Å; F173-F235 HydrophobicContact CZ-CD2 3.78Å; F173-F235 AromaticContact CZ-CE2 3.85Å; F173-F235 HydrophobicContact CZ-CE2 3.85Å; F173-F235 HydrophobicContact CZ-CG 4.17Å; F173-F235 HydrophobicContact CZ-CZ 4.3Å; F173-L262 HydrophobicContact CE2-CD1 3.65Å; F173-L262 HydrophobicContact CZ-CD1 3.75Å; F173-L262 HydrophobicContact CZ-CD2 3.88Å; F173-L262 HydrophobicContact CZ-CG 4.45Å
174	P	95.2	Very high	97.8	Very high	103 Å²	103	31.1 Å²	31.1	67%	0.669	17%	0.168	S	C	*	.	S	Bend	trans	-57.9	-38.2	-178.5	-26.4	35.7	0	0	0	114.7	A138	A138-P174 WeakPolarHBondContact O-CD 3.49Å
175	D	95	Very high	97.8	Very high	80 Å²	80	26.1 Å²	26.1	43%	0.428	15%	0.151	S	C	.	.	S	Bend	trans	-125.6	86.7	178.4	-174.1	25.1	0	0	0	110.2	Q146 V147 F173	Q146-D175 WeakPolarHBondContact CA-OD2 3.37Å; Q146-D175 WeakPolarHBondContact CB-OD2 3.38Å; Q146-D175 WeakPolarHBondContact CG-OD1 3.32Å; Q146-D175 PolarHBondContact NE2-OD1 3.34Å; V147-D175 PolarHBondContact N-O 3.18Å; F173-D175 VanDerWaalsContact C-N 3.32Å; F173-D175 PolarHBondContact O-N 3.06Å
176	T	97.3	Very high	97.8	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.031	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.6	-176.2	-57.8	0	0	0	0	111.1	V147 V149 K170 F173	V147-T176 CarbonylContact O-C 3.52Å; V147-T176 WeakPolarHBondContact O-CA 3.46Å; V149-T176 HydrophobicContact CB-CG2 3.86Å; V149-T176 HydrophobicContact CG2-CG2 3.6Å; K170-T176 PolarHBondContact NZ-O 2.8Å; K170-T176 VanDerWaalsContact O-CB 3.24Å; K170-T176 WeakPolarHBondContact O-CB 3.46Å; K170-T176 PolarHBondContact O-OG1 3.38Å; F173-T176 WeakPolarHBondContact CB-OG1 3.45Å; F173-T176 PolarHBondContact N-OG1 2.92Å; F173-T176 PolarHBondContact O-OG1 3.08Å
177	Y	97.4	Very high	97.7	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.008	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	110.3	162.7	-165.6	-97.1	0	0	0	108.9	R123 V147 R148 V149 I179 D213 E214	R123-Y177 WeakPolarHBondContact CD-OH 3.47Å; V147-Y177 PolarHBondContact O-N 3.26Å; R148-Y177 WeakPolarHBondContact CA-O 3.39Å; R148-Y177 VanDerWaalsContact NH1-CE1 3.26Å; V149-Y177 PolarHBondContact N-O 3.38Å; Y177-I179 HydrophobicContact CD1-CD1 4.44Å; Y177-I179 HydrophobicContact CD1-CG1 3.76Å; Y177-I179 HydrophobicContact CE1-CG1 3.9Å; Y177-D213 WeakPolarHBondContact CA-OD2 3.24Å; Y177-D213 HydrophobicContact CD1-CB 4.28Å; Y177-D213 HydrophobicContact CD2-CB 3.65Å; Y177-D213 HydrophobicContact CE1-CB 4.06Å; Y177-D213 HydrophobicContact CE2-CB 3.39Å; Y177-D213 HydrophobicContact CG-CB 4.11Å; Y177-D213 PolarHBondContact OH-O 3.17Å; Y177-E214 HydrophobicContact CE1-CB 3.68Å; Y177-E214 VanDerWaalsContact CE1-OE2 3.29Å; Y177-E214 WeakPolarHBondContact CE1-OE2 3.43Å
178	L	98.5	Very high	97.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	114.8	-178.9	-178.3	61.3	0	0	0	111	V149 A151 L166 A169 K170 V180 Y211 V212 D213 E214	V149-L178 HydrophobicContact CB-CD1 4.41Å; V149-L178 HydrophobicContact CG1-CD1 4.2Å; V149-L178 WeakPolarHBondContact O-CA 3.36Å; A151-L178 HydrophobicContact CB-CD1 4.21Å; L166-L178 HydrophobicContact CB-CD2 4.11Å; L166-L178 HydrophobicContact CD2-CD2 4.26Å; L166-L178 WeakPolarHBondContact O-CD2 3.44Å; A169-L178 HydrophobicContact CB-CD1 3.62Å; A169-L178 HydrophobicContact CB-CD2 4.2Å; K170-L178 HydrophobicContact CB-CB 4.33Å; K170-L178 HydrophobicContact CB-CD2 3.94Å; K170-L178 HydrophobicContact CD-CB 4.04Å; L178-V180 HydrophobicContact CD1-CG2 4.41Å; L178-V180 HydrophobicContact CD2-CG2 4.14Å; L178-V180 HydrophobicContact CG-CG2 3.94Å; L178-Y211 WeakPolarHBondContact CD2-O 3.36Å; L178-V212 HydrophobicContact CD2-CG2 4.49Å; L178-D213 PolarHBondContact N-OD2 3.47Å; L178-D213 WeakPolarHBondContact O-CB 3.34Å; L178-D213 PolarHBondContact O-N 3.04Å; L178-E214 PolarHBondContact O-N 3.21Å
179	I	98.8	Very high	97.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.5	170.8	-51.1	163.8	0	0	0	107.2	R148 V149 Y150 A151 Y177 E214 I216 I233	R148-I179 HydrophobicContact CB-CD1 4.33Å; V149-I179 PolarHBondContact O-N 3.37Å; Y150-I179 CarbonylContact C-O 3.57Å; Y150-I179 VanDerWaalsContact CA-O 3.3Å; Y150-I179 WeakPolarHBondContact CA-O 3.4Å; Y150-I179 HydrophobicContact CD2-CB 4.13Å; Y150-I179 HydrophobicContact CD2-CG2 3.92Å; Y150-I179 HydrophobicContact CE2-CG2 4.43Å; A151-I179 PolarHBondContact N-O 3.41Å; Y177-I179 HydrophobicContact CD1-CD1 4.44Å; Y177-I179 HydrophobicContact CD1-CG1 3.76Å; Y177-I179 HydrophobicContact CE1-CG1 3.9Å; I179-E214 CarbonylContact C-O 3.49Å; I179-E214 WeakPolarHBondContact CA-O 3.4Å; I179-E214 HydrophobicContact CG1-CB 4.34Å; I179-E214 HydrophobicContact CG2-CB 4.32Å; I179-E214 HydrophobicContact CG2-CG 4.25Å; I179-I216 HydrophobicContact CG2-CD1 3.4Å; I179-I216 VanDerWaalsContact CG2-CD1 3.4Å; I179-I216 HydrophobicContact CG2-CG1 3.8Å; I179-I233 HydrophobicContact CD1-CG1 4.1Å
180	V	98.9	Very high	97.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	118.6	177.1	-178.2	0	0	0	0	110.9	A151 Y155 L166 L178 V182 I206 V212 E214 V215 I216	A151-V180 CarbonylContact O-C 3.56Å; A151-V180 VanDerWaalsContact O-CA 3.23Å; A151-V180 WeakPolarHBondContact O-CA 3.45Å; Y155-V180 HydrophobicContact CD2-CG1 4.21Å; Y155-V180 HydrophobicContact CE2-CG1 3.4Å; L166-V180 HydrophobicContact CD1-CG2 4.37Å; L166-V180 HydrophobicContact CD2-CG1 4.2Å; L166-V180 HydrophobicContact CD2-CG2 3.57Å; L178-V180 HydrophobicContact CD1-CG2 4.41Å; L178-V180 HydrophobicContact CD2-CG2 4.14Å; L178-V180 HydrophobicContact CG-CG2 3.94Å; V180-V182 HydrophobicContact CG1-CG2 4.4Å; V180-I206 HydrophobicContact CB-CG2 3.96Å; V180-I206 HydrophobicContact CG1-CD1 4.49Å; V180-I206 HydrophobicContact CG1-CG2 3.68Å; V180-V212 HydrophobicContact CB-CG1 4.05Å; V180-V212 HydrophobicContact CB-CG2 4.42Å; V180-V212 HydrophobicContact CG2-CB 4.27Å; V180-V212 HydrophobicContact CG2-CG1 3.79Å; V180-V212 HydrophobicContact CG2-CG2 3.6Å; V180-E214 PolarHBondContact N-O 3.39Å; V180-V215 CarbonylContact O-C 3.55Å; V180-V215 WeakPolarHBondContact O-CA 3.37Å; V180-I216 PolarHBondContact O-N 2.85Å
181	G	98.8	Very high	97.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	129	173	0	0	0	0	0	111.7	Y150 A151 D152 G153 Y155 I216	Y150-G181 WeakPolarHBondContact OH-CA 3.23Å; A151-G181 PolarHBondContact O-N 3.04Å; D152-G181 VanDerWaalsContact CA-O 3.27Å; D152-G181 WeakPolarHBondContact CA-O 3.3Å; G153-G181 PolarHBondContact N-O 3.14Å; Y155-G181 WeakPolarHBondContact CE2-O 3.26Å; G181-I216 WeakPolarHBondContact CA-O 3.31Å
182	V	98.8	Very high	97	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	119.5	177	-170	0	0	0	0	109	G153 Y155 V180 R202 Y203 I206 V215 I216 D218 A219	G153-V182 WeakPolarHBondContact O-CA 3.2Å; Y155-V182 HydrophobicContact CD2-CB 4.49Å; Y155-V182 HydrophobicContact CD2-CG1 4.3Å; Y155-V182 HydrophobicContact CD2-CG2 3.96Å; Y155-V182 HydrophobicContact CE2-CG2 4.45Å; V180-V182 HydrophobicContact CG1-CG2 4.4Å; V182-R202 HydrophobicContact CG1-CB 4.13Å; V182-R202 VanDerWaalsContact CG1-NH1 3.34Å; V182-Y203 HydrophobicContact CB-CD1 3.52Å; V182-Y203 HydrophobicContact CB-CE1 3.64Å; V182-Y203 HydrophobicContact CG1-CD1 3.53Å; V182-Y203 HydrophobicContact CG1-CE1 3.63Å; V182-Y203 HydrophobicContact CG2-CD1 4.26Å; V182-Y203 WeakPolarHBondContact O-CE1 3.28Å; V182-I206 HydrophobicContact CG2-CB 4.14Å; V182-I206 HydrophobicContact CG2-CG1 3.88Å; V182-I206 HydrophobicContact CG2-CG2 4.16Å; V182-V215 HydrophobicContact CG2-CG1 4.13Å; V182-I216 PolarHBondContact N-O 3.37Å; V182-D218 PolarHBondContact O-N 3.45Å; V182-A219 PolarHBondContact O-N 3Å
183	S	98.1	Very high	96.9	Very high	5 Å²	5	39.4 Å²	39.4	4%	0.035	21%	0.213	C	C	.	.			trans	-68	146.1	-178.5	-51.1	0	0	0	0	111.7	G153 R202	G153-S183 PolarHBondContact O-N 2.81Å; S183-R202 PolarHBondContact O-NH1 3.31Å; S183-R202 PolarHBondContact O-NH2 3.49Å
184	N	98.2	Very high	96.8	Very high	18 Å²	18	49.7 Å²	49.7	10%	0.096	25%	0.252	C	S	.	.			trans	-66.4	164.1	174.4	68	59.7	0	0	0	111.9	A186 D187 V188 E199 Y203 D218	N184-A186 VanDerWaalsContact C-N 3.34Å; N184-A186 PolarHBondContact O-N 3.17Å; N184-A186 WeakPolarHBondContact OD1-CA 3.47Å; N184-A186 WeakPolarHBondContact OD1-CB 3.32Å; N184-A186 PolarHBondContact OD1-N 2.76Å; N184-D187 PolarHBondContact ND2-OD2 3.39Å; N184-D187 WeakPolarHBondContact OD1-CB 3.18Å; N184-D187 PolarHBondContact OD1-N 2.84Å; N184-V188 WeakPolarHBondContact O-CB 3.42Å; N184-V188 WeakPolarHBondContact O-CG2 3.3Å; N184-V188 PolarHBondContact O-N 2.89Å; N184-E199 WeakPolarHBondContact CA-OE2 3.47Å; N184-E199 WeakPolarHBondContact CB-OE2 3.43Å; N184-Y203 WeakPolarHBondContact CA-OH 3.31Å; N184-D218 WeakPolarHBondContact CB-OD1 3.5Å; N184-D218 PolarHBondContact ND2-OD1 2.91Å
185	D	98.3	Very high	96.9	Very high	29 Å²	29	45.6 Å²	45.6	16%	0.155	23%	0.225	C	C	.	.	H	α-helix	trans	-65.4	-36	-179.2	-81.2	-19.1	0	0	0	112.2	V188 H189 T195 N198 E199 R202	D185-V188 PolarHBondContact O-N 3.43Å; D185-H189 VanDerWaalsContact O-CB 3.25Å; D185-H189 WeakPolarHBondContact O-CB 3.48Å; D185-H189 PolarHBondContact O-CD2 2.91Å; D185-H189 PolarHBondContact O-N 3.28Å; D185-T195 PolarHBondContact OD1-OG1 2.97Å; D185-N198 WeakPolarHBondContact OD2-CA 3.5Å; D185-E199 HydrophobicContact CB-CB 4.35Å; D185-E199 VanDerWaalsContact CG-N 3.31Å; D185-E199 PolarHBondContact N-OE2 3.35Å; D185-E199 PolarHBondContact OD1-N 2.96Å; D185-E199 PolarHBondContact OD2-N 2.9Å; D185-R202 IonicContact OD1-CZ 3.98Å; D185-R202 IonicContact OD1-NE 3.01Å; D185-R202 PolarHBondContact OD1-NE 3.2Å; D185-R202 IonicContact OD1-NH2 3.11Å; D185-R202 PolarHBondContact OD1-NH2 2.92Å
186	A	97.9	Very high	97	Very high	69 Å²	69	45.8 Å²	45.8	57%	0.57	23%	0.228	S	C	*	.	H	α-helix	trans	-61.4	-49.1	-178.3	0	0	0	0	0	112.1	N184 H189 H190	N184-A186 VanDerWaalsContact C-N 3.34Å; N184-A186 PolarHBondContact O-N 3.17Å; N184-A186 WeakPolarHBondContact OD1-CA 3.47Å; N184-A186 WeakPolarHBondContact OD1-CB 3.32Å; N184-A186 PolarHBondContact OD1-N 2.76Å; A186-H189 PolarHBondContact O-N 3.02Å; A186-H190 VanDerWaalsContact O-CB 3.29Å; A186-H190 WeakPolarHBondContact O-CB 3.4Å; A186-H190 PolarHBondContact O-N 3Å
187	D	96.4	Very high	97.1	Very high	43 Å²	43	48.4 Å²	48.4	23%	0.23	24%	0.241	C	C	.	.	H	α-helix	trans	-67.4	-45.4	178.3	-70.4	-20.9	0	0	0	110.9	N184 H189 H190 Y191 W221	N184-D187 PolarHBondContact ND2-OD2 3.39Å; N184-D187 WeakPolarHBondContact OD1-CB 3.18Å; N184-D187 PolarHBondContact OD1-N 2.84Å; D187-H189 VanDerWaalsContact C-N 3.3Å; D187-H189 PolarHBondContact O-N 3.39Å; D187-H190 PolarHBondContact O-N 3.28Å; D187-Y191 HydrophobicContact CB-CD2 4.16Å; D187-Y191 HydrophobicContact CB-CE2 4.33Å; D187-Y191 WeakPolarHBondContact O-CD2 3.48Å; D187-Y191 PolarHBondContact O-N 3.23Å; D187-W221 HydrophobicContact CB-CE3 4.12Å
188	V	96.8	Very high	97.1	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-43.2	178.2	176.6	0	0	0	0	110.5	A154 N184 D185 K192 G193 T195 W221	A154-V188 HydrophobicContact CB-CG1 3.85Å; A154-V188 HydrophobicContact CB-CG2 3.81Å; N184-V188 WeakPolarHBondContact O-CB 3.42Å; N184-V188 WeakPolarHBondContact O-CG2 3.3Å; N184-V188 PolarHBondContact O-N 2.89Å; D185-V188 PolarHBondContact O-N 3.43Å; V188-K192 HydrophobicContact CG1-CB 4.49Å; V188-K192 CarbonylContact O-C 3.51Å; V188-K192 WeakPolarHBondContact O-CA 3.48Å; V188-K192 WeakPolarHBondContact O-CB 3.47Å; V188-K192 PolarHBondContact O-N 2.89Å; V188-G193 PolarHBondContact O-N 2.98Å; V188-T195 HydrophobicContact CB-CG2 4.42Å; V188-T195 HydrophobicContact CG1-CG2 3.54Å; V188-W221 HydrophobicContact CG2-CZ3 4.28Å
189	H	96.8	Very high	97.1	Very high	83 Å²	83	54.2 Å²	54.2	38%	0.384	27%	0.27	S	S	.	.	H	α-helix	trans	-69.3	-35.4	179.2	-65.1	176.6	0	0	0	112.2	D185 A186 D187 G193 T195	D185-H189 VanDerWaalsContact O-CB 3.25Å; D185-H189 WeakPolarHBondContact O-CB 3.48Å; D185-H189 PolarHBondContact O-CD2 2.91Å; D185-H189 PolarHBondContact O-N 3.28Å; A186-H189 PolarHBondContact O-N 3.02Å; D187-H189 VanDerWaalsContact C-N 3.3Å; D187-H189 PolarHBondContact O-N 3.39Å; H189-G193 WeakPolarHBondContact CA-O 3.27Å; H189-G193 PolarHBondContact CD2-O 3.35Å; H189-T195 PolarHBondContact NE2-N 3.38Å; H189-T195 PolarHBondContact NE2-OG1 3.4Å
190	H	95.4	Very high	97.1	Very high	135 Å²	135	61.4 Å²	61.4	63%	0.625	30%	0.302	S	S	*	.	H	α-helix	trans	-70	-47.5	178.3	-175.5	66.6	0	0	0	112.5	A186 D187	A186-H190 VanDerWaalsContact O-CB 3.29Å; A186-H190 WeakPolarHBondContact O-CB 3.4Å; A186-H190 PolarHBondContact O-N 3Å; D187-H190 PolarHBondContact O-N 3.28Å
191	Y	93.6	Very high	97.1	Very high	84 Å²	84	65.3 Å²	65.3	33%	0.329	32%	0.32	S	S	.	.	H	α-helix	trans	-96.3	-24.7	-171.1	-64.7	-68.1	0	0	0	114.7	D187 W221 P246	D187-Y191 HydrophobicContact CB-CD2 4.16Å; D187-Y191 HydrophobicContact CB-CE2 4.33Å; D187-Y191 WeakPolarHBondContact O-CD2 3.48Å; D187-Y191 PolarHBondContact O-N 3.23Å; Y191-W221 HydrophobicContact CD2-CB 4.11Å; Y191-W221 AromaticContact CD2-CD1 3.95Å; Y191-W221 AromaticContact CD2-CD2 3.35Å; Y191-W221 HydrophobicContact CD2-CD2 3.35Å; Y191-W221 AromaticContact CD2-CE2 3.72Å; Y191-W221 AromaticContact CD2-CE3 3.69Å; Y191-W221 HydrophobicContact CD2-CE3 3.69Å; Y191-W221 AromaticContact CD2-CG 3.53Å; Y191-W221 HydrophobicContact CD2-CG 3.53Å; Y191-W221 HydrophobicContact CD2-CZ2 4.35Å; Y191-W221 HydrophobicContact CD2-CZ3 4.33Å; Y191-W221 HydrophobicContact CE2-CB 3.89Å; Y191-W221 HydrophobicContact CE2-CD2 4.06Å; Y191-W221 AromaticContact CE2-CG 3.74Å; Y191-W221 HydrophobicContact CE2-CG 3.74Å; Y191-W221 AromaticContact CG-CD2 3.74Å; Y191-W221 HydrophobicContact CG-CD2 3.74Å; Y191-W221 AromaticContact CG-CE2 3.56Å; Y191-W221 HydrophobicContact CG-CE3 4.28Å; Y191-W221 HydrophobicContact CG-CG 4.06Å; Y191-W221 HydrophobicContact CG-CH2 4.5Å; Y191-W221 AromaticContact CG-CZ2 3.96Å; Y191-W221 HydrophobicContact CG-CZ2 3.96Å; Y191-W221 AromaticContact CG-NE1 3.75Å; Y191-P246 HydrophobicContact CD1-CG 4.34Å; Y191-P246 HydrophobicContact CE1-CG 4.21Å
192	K	92.9	Very high	97.1	Very high	131 Å²	131	65.4 Å²	65.4	57%	0.57	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.2	-38.6	-173.5	-178.4	177.3	-173.7	174.5	0	114.1	A154 V188 W221	A154-K192 HydrophobicContact CB-CD 4.44Å; V188-K192 HydrophobicContact CG1-CB 4.49Å; V188-K192 CarbonylContact O-C 3.51Å; V188-K192 WeakPolarHBondContact O-CA 3.48Å; V188-K192 WeakPolarHBondContact O-CB 3.47Å; V188-K192 PolarHBondContact O-N 2.89Å; K192-W221 HydrophobicContact CB-CH2 3.86Å
193	G	93.5	Very high	97.1	Very high	28 Å²	28	66.3 Å²	66.3	29%	0.289	32%	0.324	S	S	.	.			trans	126.6	-176.2	179.4	0	0	0	0	0	113.6	V188 H189	V188-G193 PolarHBondContact O-N 2.98Å; H189-G193 WeakPolarHBondContact CA-O 3.27Å; H189-G193 PolarHBondContact CD2-O 3.35Å
194	R	95.9	Very high	97.1	Very high	227 Å²	227	69.9 Å²	69.9	86%	0.857	34%	0.34	S	S	*	.			trans	-69.2	136.4	-169.3	-172.7	169.4	178.1	175.8	1	112.8
195	T	97.7	Very high	97.1	Very high	17 Å²	17	70.7 Å²	70.7	10%	0.104	35%	0.35	C	S	.	.			trans	-91.7	157.8	173.5	53.5	0	0	0	0	112.4	D156 D185 V188 H189 M197	D156-T195 HydrophobicContact CB-CG2 4.12Å; D156-T195 VanDerWaalsContact OD2-CA 3.3Å; D156-T195 WeakPolarHBondContact OD2-CA 3.39Å; D185-T195 PolarHBondContact OD1-OG1 2.97Å; V188-T195 HydrophobicContact CB-CG2 4.42Å; V188-T195 HydrophobicContact CG1-CG2 3.54Å; H189-T195 PolarHBondContact NE2-N 3.38Å; H189-T195 PolarHBondContact NE2-OG1 3.4Å; T195-M197 VanDerWaalsContact CB-O 3.31Å; T195-M197 WeakPolarHBondContact CB-O 3.44Å; T195-M197 PolarHBondContact OG1-O 3.34Å; T195-M197 VanDerWaalsContact OG1-O 3.09Å
196	V	97.5	Very high	97.1	Very high	83 Å²	83	69.3 Å²	69.3	50%	0.503	34%	0.342	S	S	.	.	S	Bend	trans	-86.7	-48	169.9	178.8	0	0	0	0	110.5	D156 M157 I276	D156-V196 PolarHBondContact OD1-N 2.93Å; D156-V196 PolarHBondContact OD2-N 3.48Å; M157-V196 HydrophobicContact CG-CB 3.87Å; M157-V196 HydrophobicContact CG-CG1 4.24Å; M157-V196 HydrophobicContact CG-CG2 4.24Å; M157-V196 HydrophobicContact SD-CB 3.99Å; M157-V196 HydrophobicContact SD-CG1 3.69Å; V196-I276 HydrophobicContact CG2-CD1 3.9Å; V196-I276 HydrophobicContact CG2-CG1 4.17Å
197	M	98.2	Very high	97	Very high	60 Å²	60	67.6 Å²	67.6	30%	0.296	32%	0.321	S	S	.	.	S	Bend	trans	-89.7	142	175.6	-52.2	-62.2	-67.7	0	0	109.7	D156 M157 T195 E201 R202	D156-M197 WeakPolarHBondContact OD1-CB 3.42Å; D156-M197 WeakPolarHBondContact OD1-CG 3.42Å; D156-M197 PolarHBondContact OD1-N 3.31Å; M157-M197 HydrophobicContact CG-CG 4.36Å; M157-M197 HydrophobicContact SD-CG 3.87Å; M157-M197 HydrophobicContact SD-SD 3.85Å; T195-M197 VanDerWaalsContact CB-O 3.31Å; T195-M197 WeakPolarHBondContact CB-O 3.44Å; T195-M197 PolarHBondContact OG1-O 3.34Å; T195-M197 VanDerWaalsContact OG1-O 3.09Å; M197-E201 WeakPolarHBondContact CA-OE2 3.38Å; M197-E201 HydrophobicContact CB-CB 4.1Å; M197-E201 HydrophobicContact CE-CB 3.72Å; M197-E201 HydrophobicContact CE-CG 4.03Å; M197-R202 HydrophobicContact CB-CG 3.83Å
198	N	98.4	Very high	97.1	Very high	65 Å²	65	71.1 Å²	71.1	35%	0.348	34%	0.336	S	S	.	.			trans	-73.7	163.6	172.8	69.9	64.3	0	0	0	111.2	D185 K200 E201 R202	D185-N198 WeakPolarHBondContact OD2-CA 3.5Å; N198-K200 VanDerWaalsContact C-N 3.29Å; N198-K200 PolarHBondContact O-N 3.06Å; N198-K200 WeakPolarHBondContact OD1-CB 3.36Å; N198-K200 PolarHBondContact OD1-N 2.97Å; N198-E201 PolarHBondContact N-OE2 3.13Å; N198-E201 PolarHBondContact ND2-OE2 2.91Å; N198-E201 WeakPolarHBondContact O-CB 3.49Å; N198-E201 PolarHBondContact O-N 2.91Å; N198-E201 VanDerWaalsContact O-N 3.13Å; N198-E201 PolarHBondContact OD1-N 3.01Å; N198-E201 VanDerWaalsContact OD1-N 3.08Å; N198-R202 WeakPolarHBondContact O-CG 3.18Å; N198-R202 PolarHBondContact O-N 3.47Å
199	E	98.4	Very high	97	Very high	59 Å²	59	71.5 Å²	71.5	28%	0.276	34%	0.338	S	S	.	.	H	α-helix	trans	-55.3	-38.8	-176.4	65.6	-170.4	-161.9	0	0	114.2	N184 D185 E201 R202 Y203	N184-E199 WeakPolarHBondContact CA-OE2 3.47Å; N184-E199 WeakPolarHBondContact CB-OE2 3.43Å; D185-E199 HydrophobicContact CB-CB 4.35Å; D185-E199 VanDerWaalsContact CG-N 3.31Å; D185-E199 PolarHBondContact N-OE2 3.35Å; D185-E199 PolarHBondContact OD1-N 2.96Å; D185-E199 PolarHBondContact OD2-N 2.9Å; E199-E201 PolarHBondContact O-N 3.18Å; E199-R202 VanDerWaalsContact CB-NH2 3.34Å; E199-R202 PolarHBondContact O-N 2.99Å; E199-Y203 HydrophobicContact CB-CE1 4.26Å; E199-Y203 HydrophobicContact CB-CE2 4.05Å; E199-Y203 HydrophobicContact CG-CE2 4.1Å; E199-Y203 WeakPolarHBondContact O-CB 3.47Å; E199-Y203 WeakPolarHBondContact O-CD1 3.41Å; E199-Y203 VanDerWaalsContact O-CD2 3.3Å; E199-Y203 WeakPolarHBondContact O-CD2 3.44Å; E199-Y203 PolarHBondContact O-N 2.88Å
200	K	98.5	Very high	97	Very high	152 Å²	152	73.2 Å²	73.2	66%	0.661	34%	0.341	S	S	*	.	H	α-helix	trans	-66.8	-40.4	179.6	-61.9	-179	-179.1	177.5	0	111.5	N198 R202 Y203 E204	N198-K200 VanDerWaalsContact C-N 3.29Å; N198-K200 PolarHBondContact O-N 3.06Å; N198-K200 WeakPolarHBondContact OD1-CB 3.36Å; N198-K200 PolarHBondContact OD1-N 2.97Å; K200-R202 VanDerWaalsContact C-N 3.32Å; K200-Y203 PolarHBondContact O-N 3.43Å; K200-E204 WeakPolarHBondContact O-CB 3.27Å; K200-E204 PolarHBondContact O-N 2.74Å
201	E	98.7	Very high	97	Very high	82 Å²	82	68.2 Å²	68.2	38%	0.383	32%	0.317	S	S	.	.	H	α-helix	trans	-64.2	-39.2	174.4	-66.8	169.5	146.1	0	0	111.3	M197 N198 E199 A205	M197-E201 WeakPolarHBondContact CA-OE2 3.38Å; M197-E201 HydrophobicContact CB-CB 4.1Å; M197-E201 HydrophobicContact CE-CB 3.72Å; M197-E201 HydrophobicContact CE-CG 4.03Å; N198-E201 PolarHBondContact N-OE2 3.13Å; N198-E201 PolarHBondContact ND2-OE2 2.91Å; N198-E201 WeakPolarHBondContact O-CB 3.49Å; N198-E201 PolarHBondContact O-N 2.91Å; N198-E201 VanDerWaalsContact O-N 3.13Å; N198-E201 PolarHBondContact OD1-N 3.01Å; N198-E201 VanDerWaalsContact OD1-N 3.08Å; E199-E201 PolarHBondContact O-N 3.18Å; E201-A205 VanDerWaalsContact O-CB 3.27Å; E201-A205 WeakPolarHBondContact O-CB 3.34Å; E201-A205 PolarHBondContact O-N 3.08Å
202	R	98.7	Very high	97.2	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.008	30%	0.302	C	S	.	.	H	α-helix	trans	-67.5	-41.9	176.7	-64.3	-177.8	-61.2	98.3	-4.5	111.6	A154 V182 S183 D185 M197 N198 E199 K200 A205 I206	A154-R202 WeakPolarHBondContact O-CD 3.26Å; A154-R202 PolarHBondContact O-NH1 3.22Å; V182-R202 HydrophobicContact CG1-CB 4.13Å; V182-R202 VanDerWaalsContact CG1-NH1 3.34Å; S183-R202 PolarHBondContact O-NH1 3.31Å; S183-R202 PolarHBondContact O-NH2 3.49Å; D185-R202 IonicContact OD1-CZ 3.98Å; D185-R202 IonicContact OD1-NE 3.01Å; D185-R202 PolarHBondContact OD1-NE 3.2Å; D185-R202 IonicContact OD1-NH2 3.11Å; D185-R202 PolarHBondContact OD1-NH2 2.92Å; M197-R202 HydrophobicContact CB-CG 3.83Å; N198-R202 WeakPolarHBondContact O-CG 3.18Å; N198-R202 PolarHBondContact O-N 3.47Å; E199-R202 VanDerWaalsContact CB-NH2 3.34Å; E199-R202 PolarHBondContact O-N 2.99Å; K200-R202 VanDerWaalsContact C-N 3.32Å; R202-A205 PolarHBondContact O-N 3.13Å; R202-I206 WeakPolarHBondContact O-CG1 3.35Å; R202-I206 PolarHBondContact O-N 2.75Å
203	Y	98.7	Very high	97.5	Very high	19 Å²	19	58.1 Å²	58.1	8%	0.075	28%	0.275	C	S	.	.	H	α-helix	trans	-58.6	-49.1	174.2	-61.8	-17.3	0	0	0	111.3	V182 N184 E199 K200 I206 R207 N217 D218	V182-Y203 HydrophobicContact CB-CD1 3.52Å; V182-Y203 HydrophobicContact CB-CE1 3.64Å; V182-Y203 HydrophobicContact CG1-CD1 3.53Å; V182-Y203 HydrophobicContact CG1-CE1 3.63Å; V182-Y203 HydrophobicContact CG2-CD1 4.26Å; V182-Y203 WeakPolarHBondContact O-CE1 3.28Å; N184-Y203 WeakPolarHBondContact CA-OH 3.31Å; E199-Y203 HydrophobicContact CB-CE1 4.26Å; E199-Y203 HydrophobicContact CB-CE2 4.05Å; E199-Y203 HydrophobicContact CG-CE2 4.1Å; E199-Y203 WeakPolarHBondContact O-CB 3.47Å; E199-Y203 WeakPolarHBondContact O-CD1 3.41Å; E199-Y203 VanDerWaalsContact O-CD2 3.3Å; E199-Y203 WeakPolarHBondContact O-CD2 3.44Å; E199-Y203 PolarHBondContact O-N 2.88Å; K200-Y203 PolarHBondContact O-N 3.43Å; Y203-I206 PolarHBondContact O-N 3.06Å; Y203-R207 PolarHBondContact O-N 2.83Å; Y203-N217 HydrophobicContact CD1-CB 4.31Å; Y203-N217 HydrophobicContact CD2-CB 3.83Å; Y203-N217 HydrophobicContact CE1-CB 4.22Å; Y203-N217 HydrophobicContact CE2-CB 3.71Å; Y203-N217 HydrophobicContact CG-CB 4.14Å; Y203-D218 PolarHBondContact OH-N 2.84Å; Y203-D218 VanDerWaalsContact OH-N 3.16Å
204	E	98.3	Very high	97.7	Very high	79 Å²	79	56.9 Å²	56.9	37%	0.369	26%	0.262	S	S	.	.	H	α-helix	trans	-66.4	-43.5	-179.6	-171.9	58.5	-158.6	0	0	111.5	K200 I206 R207 H208	K200-E204 WeakPolarHBondContact O-CB 3.27Å; K200-E204 PolarHBondContact O-N 2.74Å; E204-I206 VanDerWaalsContact C-N 3.25Å; E204-I206 PolarHBondContact O-N 3.01Å; E204-R207 PolarHBondContact O-N 2.83Å; E204-R207 IonicContact OE2-NH1 3.93Å; E204-H208 PolarHBondContact O-CD2 3.01Å; E204-H208 IonicContact OE1-CD2 3.57Å; E204-H208 IonicContact OE1-CE1 3.21Å; E204-H208 IonicContact OE1-NE2 2.82Å; E204-H208 PolarHBondContact OE1-NE2 3.09Å
205	A	98.2	Very high	97.8	Very high	36 Å²	36	46.1 Å²	46.1	30%	0.298	22%	0.221	S	C	.	.	H	α-helix	trans	-56.7	-38.8	178.7	0	0	0	0	0	112.9	F158 E201 R202 H208	F158-A205 HydrophobicContact CB-CB 3.97Å; E201-A205 VanDerWaalsContact O-CB 3.27Å; E201-A205 WeakPolarHBondContact O-CB 3.34Å; E201-A205 PolarHBondContact O-N 3.08Å; R202-A205 PolarHBondContact O-N 3.13Å; A205-H208 PolarHBondContact O-N 3.17Å
206	I	98.4	Very high	97.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-70.2	-35.8	-178.8	-70.5	-74.6	0	0	0	112.2	Y155 F158 L166 V180 V182 R202 Y203 E204 H208 C209 V212 V215	Y155-I206 HydrophobicContact CD1-CD1 3.73Å; Y155-I206 HydrophobicContact CD2-CD1 3.75Å; Y155-I206 HydrophobicContact CD2-CG1 4.09Å; Y155-I206 HydrophobicContact CE1-CD1 4.32Å; Y155-I206 HydrophobicContact CE2-CD1 4.31Å; Y155-I206 HydrophobicContact CG-CD1 3.4Å; Y155-I206 VanDerWaalsContact CG-CD1 3.4Å; Y155-I206 HydrophobicContact CG-CG1 4.01Å; F158-I206 HydrophobicContact CD2-CD1 3.47Å; F158-I206 VanDerWaalsContact CD2-CD1 3.47Å; F158-I206 HydrophobicContact CD2-CG1 4.35Å; F158-I206 HydrophobicContact CE2-CD1 3.33Å; F158-I206 HydrophobicContact CZ-CD1 4.38Å; L166-I206 HydrophobicContact CD1-CD1 4.13Å; V180-I206 HydrophobicContact CB-CG2 3.96Å; V180-I206 HydrophobicContact CG1-CD1 4.49Å; V180-I206 HydrophobicContact CG1-CG2 3.68Å; V182-I206 HydrophobicContact CG2-CB 4.14Å; V182-I206 HydrophobicContact CG2-CG1 3.88Å; V182-I206 HydrophobicContact CG2-CG2 4.16Å; R202-I206 WeakPolarHBondContact O-CG1 3.35Å; R202-I206 PolarHBondContact O-N 2.75Å; Y203-I206 PolarHBondContact O-N 3.06Å; E204-I206 VanDerWaalsContact C-N 3.25Å; E204-I206 PolarHBondContact O-N 3.01Å; I206-H208 PolarHBondContact O-N 2.89Å; I206-H208 VanDerWaalsContact O-N 3.16Å; I206-C209 VanDerWaalsContact O-CB 3.27Å; I206-C209 WeakPolarHBondContact O-CB 3.38Å; I206-C209 PolarHBondContact O-N 3.5Å; I206-V212 HydrophobicContact CG2-CG1 4.39Å; I206-V212 HydrophobicContact CG2-CG2 4.34Å; I206-V215 HydrophobicContact CG2-CG1 4.33Å; I206-V215 HydrophobicContact CG2-CG2 3.74Å
207	R	97	Very high	97.9	Very high	33 Å²	33	43.9 Å²	43.9	13%	0.125	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-23.6	179.6	-68.7	179.3	70.2	-175.5	19.7	113.8	P111 A112 F114 E117 Y203 E204 C209 V215	P111-R207 WeakPolarHBondContact CA-O 3.35Å; P111-R207 HydrophobicContact CB-CB 3.99Å; A112-R207 PolarHBondContact N-O 3.4Å; A112-R207 WeakPolarHBondContact O-CG 3.28Å; A112-R207 PolarHBondContact O-NE 3.13Å; A112-R207 PolarHBondContact O-NH2 3.12Å; F114-R207 HydrophobicContact CD1-CG 4.48Å; F114-R207 VanDerWaalsContact CD2-CZ 3.49Å; F114-R207 HydrophobicContact CE1-CG 4.08Å; F114-R207 VanDerWaalsContact CE2-CD 3.44Å; F114-R207 HydrophobicContact CZ-CG 4.24Å; E117-R207 IonicContact OE1-CZ 3.45Å; E117-R207 IonicContact OE1-NH1 3.39Å; E117-R207 IonicContact OE1-NH2 2.7Å; E117-R207 PolarHBondContact OE1-NH2 2.86Å; E117-R207 IonicContact OE2-CZ 2.78Å; E117-R207 IonicContact OE2-NH2 3.98Å; E117-R207 PolarHBondContact OE2-NH2 3Å; Y203-R207 PolarHBondContact O-N 2.83Å; E204-R207 PolarHBondContact O-N 2.83Å; E204-R207 IonicContact OE2-NH1 3.93Å; R207-C209 VanDerWaalsContact C-N 3.35Å; R207-V215 HydrophobicContact CB-CG2 4.42Å; R207-V215 HydrophobicContact CG-CB 4.05Å; R207-V215 HydrophobicContact CG-CG1 4.49Å; R207-V215 HydrophobicContact CG-CG2 3.58Å
208	H	96.8	Very high	97.9	Very high	117 Å²	117	45.4 Å²	45.4	54%	0.542	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	1	177.2	-64.1	-73.9	0	0	0	113.3	E204 A205 I206 R210	E204-H208 PolarHBondContact O-CD2 3.01Å; E204-H208 IonicContact OE1-CD2 3.57Å; E204-H208 IonicContact OE1-CE1 3.21Å; E204-H208 IonicContact OE1-NE2 2.82Å; E204-H208 PolarHBondContact OE1-NE2 3.09Å; A205-H208 PolarHBondContact O-N 3.17Å; I206-H208 PolarHBondContact O-N 2.89Å; I206-H208 VanDerWaalsContact O-N 3.16Å; H208-R210 PolarHBondContact O-N 3.17Å
209	C	96.6	Very high	97.9	Very high	10 Å²	10	42.3 Å²	42.3	7%	0.068	20%	0.199	C	C	.	.			trans	-77	117.6	173.4	-173.6	0	0	0	0	110.3	F158 L166 I206 R207 Y211 V212	F158-C209 HydrophobicContact CE1-CB 4.29Å; F158-C209 HydrophobicContact CZ-CB 3.82Å; L166-C209 HydrophobicContact CD1-CB 4.37Å; I206-C209 VanDerWaalsContact O-CB 3.27Å; I206-C209 WeakPolarHBondContact O-CB 3.38Å; I206-C209 PolarHBondContact O-N 3.5Å; R207-C209 VanDerWaalsContact C-N 3.35Å; C209-Y211 PolarHBondContact O-N 3.39Å; C209-V212 HydrophobicContact CB-CG2 3.77Å; C209-V212 WeakPolarHBondContact O-CB 3.5Å; C209-V212 PolarHBondContact O-N 2.7Å
210	R	95.2	Very high	97.8	Very high	119 Å²	119	41.4 Å²	41.4	45%	0.449	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-20.2	-175.1	89.1	178.5	-174.8	114.1	0.7	115.7	L106 H208	L106-R210 WeakPolarHBondContact O-CB 3.43Å; H208-R210 PolarHBondContact O-N 3.17Å
211	Y	96.6	Very high	97.6	Very high	30 Å²	30	35.4 Å²	35.4	12%	0.118	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-16.6	-177.4	-57.5	-64.8	0	0	0	113	A163 M167 K170 L178 C209	A163-Y211 WeakPolarHBondContact O-CD2 3.49Å; A163-Y211 WeakPolarHBondContact O-CE2 3.27Å; M167-Y211 HydrophobicContact CB-CD1 4.07Å; M167-Y211 HydrophobicContact CB-CD2 3.9Å; M167-Y211 HydrophobicContact CB-CE1 3.8Å; M167-Y211 HydrophobicContact CB-CE2 3.64Å; M167-Y211 HydrophobicContact CB-CG 4.12Å; M167-Y211 HydrophobicContact CG-CD1 4.18Å; M167-Y211 HydrophobicContact CG-CE1 3.58Å; M167-Y211 HydrophobicContact CG-CE2 4.22Å; M167-Y211 HydrophobicContact SD-CE1 4.21Å; M167-Y211 PolarHBondContact SD-OH 3.16Å; M167-Y211 VanDerWaalsContact SD-OH 3.39Å; K170-Y211 HydrophobicContact CB-CD1 4.41Å; K170-Y211 WeakPolarHBondContact CD-O 3.27Å; K170-Y211 HydrophobicContact CG-CD1 4.41Å; K170-Y211 WeakPolarHBondContact CG-O 3.45Å; L178-Y211 WeakPolarHBondContact CD2-O 3.36Å; C209-Y211 PolarHBondContact O-N 3.39Å
212	V	97.8	Very high	97.4	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	17%	0.172	C	C	.	.			trans	-90.3	131.9	-171	-179.1	0	0	0	0	109.9	A112 L166 L178 V180 I206 C209 E214 V215	A112-V212 HydrophobicContact CB-CB 4.23Å; A112-V212 HydrophobicContact CB-CG1 3.91Å; A112-V212 WeakPolarHBondContact CB-O 3.4Å; L166-V212 HydrophobicContact CD1-CG2 3.79Å; L178-V212 HydrophobicContact CD2-CG2 4.49Å; V180-V212 HydrophobicContact CB-CG1 4.05Å; V180-V212 HydrophobicContact CB-CG2 4.42Å; V180-V212 HydrophobicContact CG2-CB 4.27Å; V180-V212 HydrophobicContact CG2-CG1 3.79Å; V180-V212 HydrophobicContact CG2-CG2 3.6Å; I206-V212 HydrophobicContact CG2-CG1 4.39Å; I206-V212 HydrophobicContact CG2-CG2 4.34Å; C209-V212 HydrophobicContact CB-CG2 3.77Å; C209-V212 WeakPolarHBondContact O-CB 3.5Å; C209-V212 PolarHBondContact O-N 2.7Å; V212-E214 WeakPolarHBondContact CG1-O 3.34Å; V212-V215 HydrophobicContact CG1-CG2 3.69Å
213	D	97.6	Very high	97.3	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.011	18%	0.178	C	C	.	.	S	Bend	trans	-103.5	-25.9	177.5	-55.3	-71	0	0	0	113	Y108 P113 K170 Y177 L178	Y108-D213 WeakPolarHBondContact CE2-OD1 3.41Å; Y108-D213 PolarHBondContact OH-OD1 2.73Å; P113-D213 VanDerWaalsContact CD-O 3.27Å; P113-D213 WeakPolarHBondContact CD-O 3.46Å; K170-D213 IonicContact NZ-OD1 2.98Å; K170-D213 PolarHBondContact NZ-OD1 2.78Å; K170-D213 IonicContact NZ-OD2 3.76Å; K170-D213 PolarHBondContact NZ-OD2 3.16Å; Y177-D213 WeakPolarHBondContact CA-OD2 3.24Å; Y177-D213 HydrophobicContact CD1-CB 4.28Å; Y177-D213 HydrophobicContact CD2-CB 3.65Å; Y177-D213 HydrophobicContact CE1-CB 4.06Å; Y177-D213 HydrophobicContact CE2-CB 3.39Å; Y177-D213 HydrophobicContact CG-CB 4.11Å; Y177-D213 PolarHBondContact OH-O 3.17Å; L178-D213 PolarHBondContact N-OD2 3.47Å; L178-D213 WeakPolarHBondContact O-CB 3.34Å; L178-D213 PolarHBondContact O-N 3.04Å
214	E	98.1	Very high	97.2	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.009	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	141.3	180	-178.8	180	151.9	0	0	109.9	P113 C115 A120 R148 Y177 L178 I179 V180 V212	P113-E214 WeakPolarHBondContact O-CA 3.45Å; C115-E214 HydrophobicContact CB-CG 4.31Å; C115-E214 WeakPolarHBondContact CB-OE1 3.25Å; A120-E214 HydrophobicContact CB-CG 3.96Å; R148-E214 IonicContact NH2-OE2 2.97Å; R148-E214 PolarHBondContact NH2-OE2 3.47Å; Y177-E214 HydrophobicContact CE1-CB 3.68Å; Y177-E214 VanDerWaalsContact CE1-OE2 3.29Å; Y177-E214 WeakPolarHBondContact CE1-OE2 3.43Å; L178-E214 PolarHBondContact O-N 3.21Å; I179-E214 CarbonylContact C-O 3.49Å; I179-E214 WeakPolarHBondContact CA-O 3.4Å; I179-E214 HydrophobicContact CG1-CB 4.34Å; I179-E214 HydrophobicContact CG2-CB 4.32Å; I179-E214 HydrophobicContact CG2-CG 4.25Å; V180-E214 PolarHBondContact N-O 3.39Å; V212-E214 WeakPolarHBondContact CG1-O 3.34Å
215	V	98.8	Very high	97.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.5	173.7	-178.6	0	0	0	0	110.7	A112 P113 F114 C115 V180 V182 I206 R207 V212	A112-V215 HydrophobicContact CB-CG2 4.38Å; P113-V215 PolarHBondContact O-N 3.21Å; F114-V215 CarbonylContact C-O 3.47Å; F114-V215 VanDerWaalsContact CA-O 3.32Å; F114-V215 WeakPolarHBondContact CA-O 3.47Å; F114-V215 HydrophobicContact CD1-CB 3.91Å; F114-V215 HydrophobicContact CD1-CG1 3.95Å; F114-V215 HydrophobicContact CE1-CB 4.25Å; F114-V215 HydrophobicContact CE1-CG1 3.91Å; C115-V215 PolarHBondContact N-O 2.73Å; V180-V215 CarbonylContact O-C 3.55Å; V180-V215 WeakPolarHBondContact O-CA 3.37Å; V182-V215 HydrophobicContact CG2-CG1 4.13Å; I206-V215 HydrophobicContact CG2-CG1 4.33Å; I206-V215 HydrophobicContact CG2-CG2 3.74Å; R207-V215 HydrophobicContact CB-CG2 4.42Å; R207-V215 HydrophobicContact CG-CB 4.05Å; R207-V215 HydrophobicContact CG-CG1 4.49Å; R207-V215 HydrophobicContact CG-CG2 3.58Å; V212-V215 HydrophobicContact CG1-CG2 3.69Å
216	I	98.8	Very high	97.1	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.026	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	109.9	169.2	-62.4	168.7	0	0	0	107.2	C115 Y150 I179 V180 G181 V182 F227 H231	C115-I216 HydrophobicContact CB-CG1 3.82Å; Y150-I216 HydrophobicContact CD2-CD1 4.46Å; Y150-I216 HydrophobicContact CE2-CD1 4.07Å; I179-I216 HydrophobicContact CG2-CD1 3.4Å; I179-I216 VanDerWaalsContact CG2-CD1 3.4Å; I179-I216 HydrophobicContact CG2-CG1 3.8Å; V180-I216 PolarHBondContact O-N 2.85Å; G181-I216 WeakPolarHBondContact CA-O 3.31Å; V182-I216 PolarHBondContact N-O 3.37Å; I216-F227 HydrophobicContact CD1-CE2 4.33Å; I216-F227 HydrophobicContact CD1-CZ 3.77Å; I216-F227 HydrophobicContact CG2-CE2 4.28Å; I216-F227 HydrophobicContact CG2-CZ 4.38Å; I216-H231 HydrophobicContact CD1-CB 4.17Å; I216-H231 VanDerWaalsContact CD1-ND1 3.27Å; I216-H231 WeakPolarHBondContact CD1-ND1 3.46Å
217	N	98.3	Very high	97.1	Very high	48 Å²	48	43.4 Å²	43.4	26%	0.257	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	158.2	166.3	62.8	-62.2	0	0	0	110.1	Y116 Y203 A219	Y116-N217 VanDerWaalsContact CE1-OD1 3.31Å; Y116-N217 WeakPolarHBondContact CE1-OD1 3.5Å; Y203-N217 HydrophobicContact CD1-CB 4.31Å; Y203-N217 HydrophobicContact CD2-CB 3.83Å; Y203-N217 HydrophobicContact CE1-CB 4.22Å; Y203-N217 HydrophobicContact CE2-CB 3.71Å; Y203-N217 HydrophobicContact CG-CB 4.14Å; N217-A219 PolarHBondContact O-N 2.94Å
218	D	97.8	Very high	97.1	Very high	93 Å²	93	42.6 Å²	42.6	50%	0.497	22%	0.221	S	C	.	.	S	Bend	trans	53.2	44.4	178.1	-168.5	30.3	0	0	0	112.6	V182 N184 Y203	V182-D218 PolarHBondContact O-N 3.45Å; N184-D218 WeakPolarHBondContact CB-OD1 3.5Å; N184-D218 PolarHBondContact ND2-OD1 2.91Å; Y203-D218 PolarHBondContact OH-N 2.84Å; Y203-D218 VanDerWaalsContact OH-N 3.16Å
219	A	98	Very high	97.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.			trans	-67.8	133.7	179.4	0	0	0	0	0	110.7	Y150 V182 N217	Y150-A219 WeakPolarHBondContact OH-CB 3.25Å; V182-A219 PolarHBondContact O-N 3Å; N217-A219 PolarHBondContact O-N 2.94Å
220	P	96.4	Very high	97.2	Very high	40 Å²	40	49.1 Å²	49.1	26%	0.26	25%	0.249	S	C	.	.			trans	-66.3	147	-177.7	29.5	-35.8	0	0	0	111.1	S222 F227	P220-S222 VanDerWaalsContact C-N 3.31Å; P220-S222 PolarHBondContact O-N 2.89Å; P220-F227 HydrophobicContact CG-CD2 3.74Å; P220-F227 HydrophobicContact CG-CE2 3.94Å; P220-F227 HydrophobicContact CG-CG 4.12Å; P220-F227 HydrophobicContact CG-CZ 4.45Å
221	W	95	Very high	97.4	Very high	25 Å²	25	44 Å²	44	10%	0.095	23%	0.23	C	C	.	.	S	Bend	trans	-63.8	-35.2	177.7	-163.9	-94.8	0	0	0	113.6	D187 V188 Y191 K192 Y243	D187-W221 HydrophobicContact CB-CE3 4.12Å; V188-W221 HydrophobicContact CG2-CZ3 4.28Å; Y191-W221 HydrophobicContact CD2-CB 4.11Å; Y191-W221 AromaticContact CD2-CD1 3.95Å; Y191-W221 AromaticContact CD2-CD2 3.35Å; Y191-W221 HydrophobicContact CD2-CD2 3.35Å; Y191-W221 AromaticContact CD2-CE2 3.72Å; Y191-W221 AromaticContact CD2-CE3 3.69Å; Y191-W221 HydrophobicContact CD2-CE3 3.69Å; Y191-W221 AromaticContact CD2-CG 3.53Å; Y191-W221 HydrophobicContact CD2-CG 3.53Å; Y191-W221 HydrophobicContact CD2-CZ2 4.35Å; Y191-W221 HydrophobicContact CD2-CZ3 4.33Å; Y191-W221 HydrophobicContact CE2-CB 3.89Å; Y191-W221 HydrophobicContact CE2-CD2 4.06Å; Y191-W221 AromaticContact CE2-CG 3.74Å; Y191-W221 HydrophobicContact CE2-CG 3.74Å; Y191-W221 AromaticContact CG-CD2 3.74Å; Y191-W221 HydrophobicContact CG-CD2 3.74Å; Y191-W221 AromaticContact CG-CE2 3.56Å; Y191-W221 HydrophobicContact CG-CE3 4.28Å; Y191-W221 HydrophobicContact CG-CG 4.06Å; Y191-W221 HydrophobicContact CG-CH2 4.5Å; Y191-W221 AromaticContact CG-CZ2 3.96Å; Y191-W221 HydrophobicContact CG-CZ2 3.96Å; Y191-W221 AromaticContact CG-NE1 3.75Å; K192-W221 HydrophobicContact CB-CH2 3.86Å; W221-Y243 AromaticContact CE2-CE1 3.81Å; W221-Y243 HydrophobicContact CH2-CE1 4.09Å; W221-Y243 WeakPolarHBondContact CH2-OH 3.46Å; W221-Y243 HydrophobicContact CZ2-CD1 4.46Å; W221-Y243 AromaticContact CZ2-CE1 3.33Å; W221-Y243 HydrophobicContact CZ2-CE1 3.33Å; W221-Y243 AromaticContact CZ2-CZ 3.8Å; W221-Y243 WeakPolarHBondContact CZ2-OH 3.33Å
222	S	94.7	Very high	97.5	Very high	58 Å²	58	44.3 Å²	44.3	41%	0.406	23%	0.232	S	C	.	.	S	Bend	trans	-117.9	129	176.7	-65	0	0	0	0	109.7	P220 T224	P220-S222 VanDerWaalsContact C-N 3.31Å; P220-S222 PolarHBondContact O-N 2.89Å; S222-T224 PolarHBondContact O-N 3.22Å
223	I	96.9	Very high	97.5	Very high	26 Å²	26	44.3 Å²	44.3	13%	0.133	23%	0.232	C	C	.	.			trans	-80	115.3	-175.9	-62.7	165.7	0	0	0	109.8	Y150 F227 L228 V236 Y252 L255	Y150-I223 HydrophobicContact CD1-CD1 3.94Å; Y150-I223 HydrophobicContact CE1-CD1 3.7Å; Y150-I223 HydrophobicContact CE1-CG1 4.09Å; I223-F227 HydrophobicContact CG2-CD1 4.08Å; I223-L228 HydrophobicContact CG2-CD1 4.36Å; I223-L228 HydrophobicContact CG2-CD2 3.61Å; I223-L228 HydrophobicContact CG2-CG 3.75Å; I223-V236 HydrophobicContact CD1-CB 4.44Å; I223-V236 HydrophobicContact CD1-CG1 3.63Å; I223-V236 HydrophobicContact CD1-CG2 3.99Å; I223-Y252 HydrophobicContact CD1-CD1 4.3Å; I223-Y252 HydrophobicContact CD1-CE1 4.02Å; I223-L255 HydrophobicContact CB-CD1 4.11Å; I223-L255 HydrophobicContact CD1-CD1 3.68Å; I223-L255 HydrophobicContact CG1-CD1 4.49Å; I223-L255 HydrophobicContact CG2-CD1 4.28Å; I223-L255 HydrophobicContact CG2-CD2 4.49Å
224	T	96.2	Very high	97.5	Very high	62 Å²	62	44.6 Å²	44.6	38%	0.38	23%	0.234	S	C	.	.			trans	-92.7	160.7	177.8	83.1	0	0	0	0	112.4	S222 E226 F227 L228	S222-T224 PolarHBondContact O-N 3.22Å; T224-E226 WeakPolarHBondContact CB-OE2 3.46Å; T224-E226 PolarHBondContact O-N 2.94Å; T224-E226 PolarHBondContact OG1-N 3.03Å; T224-E226 PolarHBondContact OG1-OE2 3.3Å; T224-F227 WeakPolarHBondContact O-CB 3.29Å; T224-F227 PolarHBondContact O-N 3.36Å; T224-F227 VanDerWaalsContact O-N 3.14Å; T224-F227 PolarHBondContact OG1-N 3.32Å; T224-L228 WeakPolarHBondContact O-CG 3.22Å; T224-L228 PolarHBondContact O-N 3.18Å
225	S	96.2	Very high	97.6	Very high	84 Å²	84	44.8 Å²	44.8	59%	0.587	23%	0.234	S	C	*	.	H	α-helix	trans	-57.7	-38.3	173.5	-63.4	0	0	0	0	112	F227 L228 Q229	S225-F227 VanDerWaalsContact C-N 3.33Å; S225-F227 PolarHBondContact O-N 2.79Å; S225-L228 PolarHBondContact O-N 3.23Å; S225-Q229 WeakPolarHBondContact O-CB 3.4Å; S225-Q229 VanDerWaalsContact O-CG 3.25Å; S225-Q229 WeakPolarHBondContact O-CG 3.4Å; S225-Q229 PolarHBondContact O-N 3.07Å
226	E	97.8	Very high	97.6	Very high	137 Å²	137	44.8 Å²	44.8	64%	0.64	23%	0.234	S	C	*	.	H	α-helix	trans	-64.9	-38.9	177.7	-58.6	69.9	-149.4	0	0	111.1	T224 Q229 K230	T224-E226 WeakPolarHBondContact CB-OE2 3.46Å; T224-E226 PolarHBondContact O-N 2.94Å; T224-E226 PolarHBondContact OG1-N 3.03Å; T224-E226 PolarHBondContact OG1-OE2 3.3Å; E226-Q229 PolarHBondContact O-N 3.37Å; E226-K230 WeakPolarHBondContact O-CB 3.4Å; E226-K230 PolarHBondContact O-N 3.06Å
227	F	98.3	Very high	97.6	Very high	19 Å²	19	44.6 Å²	44.6	8%	0.083	23%	0.233	C	C	.	.	H	α-helix	trans	-64.7	-46.6	175.4	-177.5	-92.9	0	0	0	111.6	Y150 I216 P220 I223 T224 S225 Q229 K230 H231 I233	Y150-F227 HydrophobicContact CD1-CE1 4.39Å; Y150-F227 HydrophobicContact CD2-CE1 4.32Å; Y150-F227 AromaticContact CE1-CE1 3.92Å; Y150-F227 HydrophobicContact CE1-CE1 3.92Å; Y150-F227 HydrophobicContact CE1-CZ 4.47Å; Y150-F227 AromaticContact CE2-CE1 3.84Å; Y150-F227 HydrophobicContact CE2-CE1 3.84Å; Y150-F227 AromaticContact CE2-CZ 3.8Å; Y150-F227 HydrophobicContact CE2-CZ 3.8Å; Y150-F227 AromaticContact CZ-CE1 3.6Å; Y150-F227 AromaticContact CZ-CZ 3.72Å; I216-F227 HydrophobicContact CD1-CE2 4.33Å; I216-F227 HydrophobicContact CD1-CZ 3.77Å; I216-F227 HydrophobicContact CG2-CE2 4.28Å; I216-F227 HydrophobicContact CG2-CZ 4.38Å; P220-F227 HydrophobicContact CG-CD2 3.74Å; P220-F227 HydrophobicContact CG-CE2 3.94Å; P220-F227 HydrophobicContact CG-CG 4.12Å; P220-F227 HydrophobicContact CG-CZ 4.45Å; I223-F227 HydrophobicContact CG2-CD1 4.08Å; T224-F227 WeakPolarHBondContact O-CB 3.29Å; T224-F227 PolarHBondContact O-N 3.36Å; T224-F227 VanDerWaalsContact O-N 3.14Å; T224-F227 PolarHBondContact OG1-N 3.32Å; S225-F227 VanDerWaalsContact C-N 3.33Å; S225-F227 PolarHBondContact O-N 2.79Å; F227-Q229 VanDerWaalsContact C-N 3.32Å; F227-Q229 PolarHBondContact O-N 3.25Å; F227-K230 PolarHBondContact O-N 2.71Å; F227-H231 AromaticContact CD2-CD2 3.66Å; F227-H231 AromaticContact CE2-CD2 3.47Å; F227-H231 VanDerWaalsContact CE2-CD2 3.47Å; F227-H231 WeakPolarHBondContact CE2-CD2 3.36Å; F227-H231 AromaticContact CE2-NE2 3.68Å; F227-H231 AromaticContact CZ-CD2 3.81Å; F227-H231 PolarHBondContact O-CD2 3.39Å; F227-H231 PolarHBondContact O-N 3.26Å; F227-I233 HydrophobicContact CD1-CD1 3.84Å; F227-I233 HydrophobicContact CE1-CD1 3.49Å; F227-I233 VanDerWaalsContact CE1-CD1 3.49Å; F227-I233 HydrophobicContact CZ-CD1 4.45Å
228	L	98.1	Very high	97.5	Very high	16 Å²	16	43 Å²	43	8%	0.084	23%	0.225	C	C	.	.	H	α-helix	trans	-57.1	-45.3	176	-66.8	172.1	0	0	0	111.7	I223 T224 S225 K232 I233 V236 L255 M260	I223-L228 HydrophobicContact CG2-CD1 4.36Å; I223-L228 HydrophobicContact CG2-CD2 3.61Å; I223-L228 HydrophobicContact CG2-CG 3.75Å; T224-L228 WeakPolarHBondContact O-CG 3.22Å; T224-L228 PolarHBondContact O-N 3.18Å; S225-L228 PolarHBondContact O-N 3.23Å; L228-K232 WeakPolarHBondContact O-CA 3.4Å; L228-K232 PolarHBondContact O-N 3.41Å; L228-I233 HydrophobicContact CD2-CB 3.8Å; L228-I233 HydrophobicContact CD2-CD1 4.24Å; L228-I233 HydrophobicContact CD2-CG2 3.76Å; L228-I233 PolarHBondContact O-N 2.96Å; L228-V236 HydrophobicContact CD2-CG2 4.17Å; L228-L255 HydrophobicContact CD1-CD2 3.86Å; L228-L255 HydrophobicContact CD2-CD2 4.35Å; L228-M260 HydrophobicContact CD1-CE 4.08Å; L228-M260 HydrophobicContact CD1-SD 4.47Å; L228-M260 HydrophobicContact CD2-CE 4.26Å
229	Q	97.7	Very high	97.4	Very high	120 Å²	120	39.1 Å²	39.1	56%	0.561	20%	0.204	S	C	*	.	H	α-helix	trans	-67.3	-45.6	178.9	-69.6	-63.8	-23	0	0	112.2	Y129 S225 E226 F227 H231 K232	Y129-Q229 VanDerWaalsContact CD1-OE1 3.31Å; S225-Q229 WeakPolarHBondContact O-CB 3.4Å; S225-Q229 VanDerWaalsContact O-CG 3.25Å; S225-Q229 WeakPolarHBondContact O-CG 3.4Å; S225-Q229 PolarHBondContact O-N 3.07Å; E226-Q229 PolarHBondContact O-N 3.37Å; F227-Q229 VanDerWaalsContact C-N 3.32Å; F227-Q229 PolarHBondContact O-N 3.25Å; Q229-H231 VanDerWaalsContact C-N 3.33Å; Q229-H231 PolarHBondContact O-N 3.28Å; Q229-K232 PolarHBondContact O-N 3.22Å
230	K	98	Very high	97.3	Very high	145 Å²	145	43.6 Å²	43.6	63%	0.63	23%	0.228	S	C	*	.	H	α-helix	trans	-58.4	-43.9	179	179	-176.7	174.5	-170.2	0	111.9	N124 E226 F227	N124-K230 PolarHBondContact ND2-O 3.25Å; N124-K230 VanDerWaalsContact ND2-O 3.09Å; E226-K230 WeakPolarHBondContact O-CB 3.4Å; E226-K230 PolarHBondContact O-N 3.06Å; F227-K230 PolarHBondContact O-N 2.71Å
231	H	98.3	Very high	97.2	Very high	10 Å²	10	46.6 Å²	46.6	5%	0.046	24%	0.24	C	C	.	.	H	α-helix	trans	-95.3	-0.7	-176.9	-67.5	-76.2	0	0	0	114	R148 I216 F227 Q229 I233	R148-H231 PolarHBondContact NE-O 3.31Å; R148-H231 VanDerWaalsContact NE-O 3.13Å; R148-H231 PolarHBondContact NH2-O 2.69Å; I216-H231 HydrophobicContact CD1-CB 4.17Å; I216-H231 VanDerWaalsContact CD1-ND1 3.27Å; I216-H231 WeakPolarHBondContact CD1-ND1 3.46Å; F227-H231 AromaticContact CD2-CD2 3.66Å; F227-H231 AromaticContact CE2-CD2 3.47Å; F227-H231 VanDerWaalsContact CE2-CD2 3.47Å; F227-H231 WeakPolarHBondContact CE2-CD2 3.36Å; F227-H231 AromaticContact CE2-NE2 3.68Å; F227-H231 AromaticContact CZ-CD2 3.81Å; F227-H231 PolarHBondContact O-CD2 3.39Å; F227-H231 PolarHBondContact O-N 3.26Å; Q229-H231 VanDerWaalsContact C-N 3.33Å; Q229-H231 PolarHBondContact O-N 3.28Å; H231-I233 HydrophobicContact CB-CD1 3.75Å; H231-I233 HydrophobicContact CB-CG1 3.84Å
232	K	98.2	Very high	97.2	Very high	38 Å²	38	49.4 Å²	49.4	17%	0.165	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	55	52.9	179.1	-59.4	177.4	176	-174.3	0	111.4	N124 C127 Y129 R148 L228 Q229	N124-K232 VanDerWaalsContact O-CD 3.31Å; N124-K232 WeakPolarHBondContact O-CD 3.31Å; N124-K232 WeakPolarHBondContact O-CE 3.37Å; N124-K232 PolarHBondContact O-NZ 3.2Å; N124-K232 WeakPolarHBondContact OD1-CE 3.27Å; C127-K232 HydrophobicContact CB-CD 3.81Å; C127-K232 WeakPolarHBondContact O-CD 3.25Å; C127-K232 PolarHBondContact O-NZ 3.37Å; Y129-K232 HydrophobicContact CD1-CB 4.29Å; Y129-K232 HydrophobicContact CD1-CG 4.17Å; Y129-K232 HydrophobicContact CD2-CB 3.54Å; Y129-K232 HydrophobicContact CD2-CG 4.16Å; Y129-K232 HydrophobicContact CE2-CB 4.04Å; Y129-K232 HydrophobicContact CG-CB 3.7Å; Y129-K232 HydrophobicContact CG-CD 4.45Å; Y129-K232 HydrophobicContact CG-CG 3.77Å; R148-K232 WeakPolarHBondContact CB-O 3.38Å; R148-K232 WeakPolarHBondContact CD-O 3.42Å; R148-K232 PolarHBondContact NE-O 2.88Å; R148-K232 VanDerWaalsContact NE-O 3.13Å; L228-K232 WeakPolarHBondContact O-CA 3.4Å; L228-K232 PolarHBondContact O-N 3.41Å; Q229-K232 PolarHBondContact O-N 3.22Å
233	I	98.5	Very high	97	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.254	C	S	.	.			trans	-90.1	124.1	-173.1	-65.3	166	0	0	0	110.2	Y129 Y150 I179 F227 L228 H231 F235 V236	Y129-I233 PolarHBondContact OH-O 2.76Å; Y150-I233 HydrophobicContact CD1-CD1 4.27Å; Y150-I233 HydrophobicContact CD2-CD1 3.91Å; Y150-I233 HydrophobicContact CG-CD1 3.71Å; Y150-I233 HydrophobicContact CG-CG1 4.45Å; I179-I233 HydrophobicContact CD1-CG1 4.1Å; F227-I233 HydrophobicContact CD1-CD1 3.84Å; F227-I233 HydrophobicContact CE1-CD1 3.49Å; F227-I233 VanDerWaalsContact CE1-CD1 3.49Å; F227-I233 HydrophobicContact CZ-CD1 4.45Å; L228-I233 HydrophobicContact CD2-CB 3.8Å; L228-I233 HydrophobicContact CD2-CD1 4.24Å; L228-I233 HydrophobicContact CD2-CG2 3.76Å; L228-I233 PolarHBondContact O-N 2.96Å; H231-I233 HydrophobicContact CB-CD1 3.75Å; H231-I233 HydrophobicContact CB-CG1 3.84Å; I233-F235 WeakPolarHBondContact CG2-O 3.38Å; I233-V236 HydrophobicContact CG2-CG2 4.08Å
234	D	98.5	Very high	96.8	Very high	9 Å²	9	51.5 Å²	51.5	5%	0.048	28%	0.275	C	S	.	.	S	Bend	trans	-88	-40.5	177.9	-59.8	-60.4	0	0	0	112.1	R145 V147 R148 M260	R145-D234 IonicContact CZ-OD1 3.86Å; R145-D234 IonicContact CZ-OD2 3.61Å; R145-D234 IonicContact NH1-OD1 3.16Å; R145-D234 PolarHBondContact NH1-OD1 3.13Å; R145-D234 IonicContact NH1-OD2 3.73Å; R145-D234 PolarHBondContact NH1-OD2 2.82Å; R145-D234 IonicContact NH2-OD1 3.77Å; R145-D234 PolarHBondContact NH2-OD1 3.26Å; R145-D234 IonicContact NH2-OD2 2.8Å; V147-D234 HydrophobicContact CG1-CB 4.18Å; R148-D234 PolarHBondContact N-OD2 2.84Å; R148-D234 WeakPolarHBondContact O-CB 3.4Å; R148-D234 PolarHBondContact O-N 3.16Å; D234-M260 VanDerWaalsContact O-CE 3.28Å; D234-M260 WeakPolarHBondContact O-CE 3.25Å
235	F	98.7	Very high	96.5	Very high	5 Å²	5	49.5 Å²	49.5	2%	0.022	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	151.6	-178.7	-59.4	-82	0	0	0	111.6	I133 L135 A138 V147 R148 V149 Y150 F173 I233 M260 L262	I133-F235 HydrophobicContact CG2-CE2 4.15Å; L135-F235 HydrophobicContact CB-CE1 4.12Å; L135-F235 HydrophobicContact CB-CZ 4.25Å; L135-F235 HydrophobicContact CD1-CD1 4.44Å; L135-F235 HydrophobicContact CD1-CE1 3.88Å; L135-F235 HydrophobicContact CD1-CZ 4.2Å; A138-F235 HydrophobicContact CB-CE2 3.86Å; A138-F235 HydrophobicContact CB-CZ 4.26Å; V147-F235 HydrophobicContact CG1-CD2 3.59Å; V147-F235 HydrophobicContact CG1-CE2 3.69Å; R148-F235 PolarHBondContact O-N 3.19Å; V149-F235 CarbonylContact C-O 3.56Å; V149-F235 WeakPolarHBondContact CA-O 3.45Å; V149-F235 HydrophobicContact CG2-CB 4.41Å; Y150-F235 PolarHBondContact N-O 3.08Å; F173-F235 AromaticContact CE2-CD2 3.5Å; F173-F235 HydrophobicContact CE2-CD2 3.5Å; F173-F235 AromaticContact CE2-CE2 3.88Å; F173-F235 HydrophobicContact CE2-CE2 3.88Å; F173-F235 HydrophobicContact CE2-CG 4.1Å; F173-F235 AromaticContact CZ-CD2 3.78Å; F173-F235 HydrophobicContact CZ-CD2 3.78Å; F173-F235 AromaticContact CZ-CE2 3.85Å; F173-F235 HydrophobicContact CZ-CE2 3.85Å; F173-F235 HydrophobicContact CZ-CG 4.17Å; F173-F235 HydrophobicContact CZ-CZ 4.3Å; I233-F235 WeakPolarHBondContact CG2-O 3.38Å; F235-M260 CarbonylContact C-O 3.55Å; F235-M260 WeakPolarHBondContact CA-O 3.38Å; F235-L262 HydrophobicContact CB-CD1 3.48Å; F235-L262 VanDerWaalsContact CB-CD1 3.48Å; F235-L262 HydrophobicContact CB-CG 3.8Å; F235-L262 HydrophobicContact CD1-CD2 4.23Å; F235-L262 HydrophobicContact CD1-CG 4.3Å; F235-L262 HydrophobicContact CG-CD1 4Å; F235-L262 HydrophobicContact CG-CD2 4.47Å; F235-L262 HydrophobicContact CG-CG 4.22Å
236	V	98.7	Very high	96.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.3	175.7	176.6	0	0	0	0	109.1	Y150 I223 L228 I233 Y252 L255 M260 F261 L262	Y150-V236 HydrophobicContact CD1-CG1 4.21Å; Y150-V236 HydrophobicContact CD1-CG2 4.19Å; Y150-V236 CarbonylContact O-C 3.58Å; Y150-V236 VanDerWaalsContact O-CA 3.26Å; Y150-V236 WeakPolarHBondContact O-CA 3.43Å; I223-V236 HydrophobicContact CD1-CB 4.44Å; I223-V236 HydrophobicContact CD1-CG1 3.63Å; I223-V236 HydrophobicContact CD1-CG2 3.99Å; L228-V236 HydrophobicContact CD2-CG2 4.17Å; I233-V236 HydrophobicContact CG2-CG2 4.08Å; V236-Y252 HydrophobicContact CG1-CD1 4.39Å; V236-Y252 HydrophobicContact CG1-CE1 4.41Å; V236-L255 HydrophobicContact CB-CD1 3.92Å; V236-L255 HydrophobicContact CG1-CD1 3.99Å; V236-L255 HydrophobicContact CG2-CD1 3.75Å; V236-L255 HydrophobicContact CG2-CD2 4.2Å; V236-M260 PolarHBondContact N-O 3.26Å; V236-F261 CarbonylContact O-C 3.6Å; V236-F261 WeakPolarHBondContact O-CA 3.49Å; V236-L262 PolarHBondContact O-N 3.45Å
237	A	98.6	Very high	95.6	Very high	1 Å²	1	51 Å²	51	1%	0.008	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	116.8	-176.1	0	0	0	0	0	111.6	V149 Y150 A151 A169 L262 T264	V149-A237 HydrophobicContact CG1-CB 3.8Å; Y150-A237 PolarHBondContact O-N 3.48Å; A151-A237 HydrophobicContact CB-CB 4.46Å; A151-A237 WeakPolarHBondContact CB-O 3.5Å; A169-A237 HydrophobicContact CB-CB 3.78Å; A237-L262 VanDerWaalsContact CA-O 3.27Å; A237-L262 WeakPolarHBondContact CA-O 3.4Å; A237-L262 HydrophobicContact CB-CB 4.06Å; A237-T264 HydrophobicContact CB-CG2 4.07Å
238	H	98	Very high	95.3	Very high	15 Å²	15	52.2 Å²	52.2	7%	0.069	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	171.8	177.3	-163.4	-83.8	0	0	0	110.3	D152 Y252 F261 L262 V263 T264	D152-H238 IonicContact OD1-CD2 2.62Å; H238-Y252 HydrophobicContact CB-CE1 4.49Å; H238-Y252 HydrophobicContact CB-CE2 4.26Å; H238-Y252 AromaticContact CD2-CE2 4Å; H238-Y252 AromaticContact CD2-CZ 3.71Å; H238-Y252 PolarHBondContact CD2-OH 3.5Å; H238-Y252 AromaticContact CE1-CE2 3.98Å; H238-Y252 AromaticContact CG-CE2 3.73Å; H238-Y252 AromaticContact CG-CZ 3.76Å; H238-Y252 AromaticContact ND1-CE2 3.7Å; H238-Y252 PolarHBondContact NE2-OH 2.9Å; H238-F261 HydrophobicContact CB-CE2 3.84Å; H238-F261 HydrophobicContact CB-CZ 3.78Å; H238-L262 PolarHBondContact N-O 2.97Å; H238-L262 VanDerWaalsContact O-O 3.14Å; H238-V263 CarbonylContact O-C 3.56Å; H238-V263 WeakPolarHBondContact O-CA 3.35Å; H238-T264 PolarHBondContact O-N 3.41Å; H238-T264 PolarHBondContact O-OG1 3.23Å
239	D	95.6	Very high	95.1	Very high	12 Å²	12	59 Å²	59	6%	0.064	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	154.9	170.6	67.5	46.8	0	0	0	111.8	I241 F261 T264 R266	D239-I241 PolarHBondContact O-N 3.16Å; D239-I241 PolarHBondContact OD1-N 3.1Å; D239-F261 WeakPolarHBondContact O-CZ 3.48Å; D239-T264 WeakPolarHBondContact CA-O 3.39Å; D239-T264 PolarHBondContact N-OG1 3.47Å; D239-R266 HydrophobicContact CB-CG 4Å; D239-R266 IonicContact OD2-CZ 2.8Å; D239-R266 IonicContact OD2-NH1 3.21Å; D239-R266 PolarHBondContact OD2-NH1 3.08Å
240	D	95	Very high	95	Very high	94 Å²	94	54 Å²	54	50%	0.503	29%	0.294	S	S	.	.	S	Bend	trans	-75.2	-7.5	-172.5	-160.2	21.2	0	0	0	113.9	P242 K256 V263	D240-P242 WeakPolarHBondContact O-CD 3.42Å; D240-K256 PolarHBondContact O-NZ 3.29Å; D240-K256 IonicContact OD1-NZ 3.84Å; D240-V263 HydrophobicContact CB-CG1 3.76Å; D240-V263 HydrophobicContact CB-CG2 3.98Å
241	I	94.4	Very high	94.9	Very high	102 Å²	102	47.7 Å²	47.7	52%	0.523	27%	0.268	S	S	.	.	S	Bend	trans	-68.1	128	-175.5	-57.8	175.4	0	0	0	108.3	D239 Y243	D239-I241 PolarHBondContact O-N 3.16Å; D239-I241 PolarHBondContact OD1-N 3.1Å; I241-Y243 PolarHBondContact O-N 3.1Å
242	P	94	Very high	94.8	Very high	85 Å²	85	47.6 Å²	47.6	55%	0.552	27%	0.267	S	S	*	.			trans	-52.4	123.9	174.1	-28.9	36.7	0	0	0	111.3	D240 D250	D240-P242 WeakPolarHBondContact O-CD 3.42Å; P242-D250 HydrophobicContact CB-CB 4.06Å
243	Y	92.6	Very high	94.8	Very high	57 Å²	57	50.8 Å²	50.8	22%	0.224	28%	0.281	C	S	.	.			trans	-103.7	92.8	-175.1	-159.7	-105.8	0	0	0	110.2	W221 I241 D250 V251 Y252	W221-Y243 AromaticContact CE2-CE1 3.81Å; W221-Y243 HydrophobicContact CH2-CE1 4.09Å; W221-Y243 WeakPolarHBondContact CH2-OH 3.46Å; W221-Y243 HydrophobicContact CZ2-CD1 4.46Å; W221-Y243 AromaticContact CZ2-CE1 3.33Å; W221-Y243 HydrophobicContact CZ2-CE1 3.33Å; W221-Y243 AromaticContact CZ2-CZ 3.8Å; W221-Y243 WeakPolarHBondContact CZ2-OH 3.33Å; I241-Y243 PolarHBondContact O-N 3.1Å; Y243-D250 PolarHBondContact N-OD1 3.14Å; Y243-D250 VanDerWaalsContact N-OD1 3.16Å; Y243-D250 WeakPolarHBondContact O-CA 3.43Å; Y243-V251 HydrophobicContact CD1-CG2 3.86Å; Y243-V251 HydrophobicContact CG-CG2 4.46Å; Y243-V251 PolarHBondContact O-N 3.36Å; Y243-Y252 HydrophobicContact CD1-CE2 4.32Å; Y243-Y252 HydrophobicContact CG-CE2 4.13Å
244	A	92.2	Very high	94.6	Very high	71 Å²	71	55 Å²	55	59%	0.587	31%	0.308	S	S	*	.			trans	-72.2	146.6	-174.4	0	0	0	0	0	112.7	S248 E249	A244-S248 CarbonylContact C-O 3.59Å; A244-S248 WeakPolarHBondContact CA-O 3.3Å; A244-E249 WeakPolarHBondContact CA-O 3.41Å
245	S	89.1	Confident	94.6	Very high	20 Å²	20	55 Å²	55	14%	0.14	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-134	165.7	170.2	65.3	0	0	0	0	108.6	D247 S248	S245-D247 PolarHBondContact O-N 2.92Å; S245-S248 PolarHBondContact N-O 3.49Å; S245-S248 PolarHBondContact O-N 2.93Å; S245-S248 PolarHBondContact OG-N 3.1Å; S245-S248 PolarHBondContact OG-O 3.31Å
246	P	88	Confident	94.5	Very high	102 Å²	102	57.5 Å²	57.5	66%	0.662	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-31	176.9	-28.3	36.1	0	0	0	114.4	Y191	Y191-P246 HydrophobicContact CD1-CG 4.34Å; Y191-P246 HydrophobicContact CE1-CG 4.21Å
247	D	87.3	Confident	94.3	Very high	151 Å²	151	63.5 Å²	63.5	81%	0.807	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-10.8	-174.8	-55.4	-51.2	0	0	0	114	S245	S245-D247 PolarHBondContact O-N 2.92Å
248	S	91.4	Very high	94.2	Very high	43 Å²	43	66 Å²	66	30%	0.301	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-149.2	134.7	-175.6	-177.9	0	0	0	0	112.3	A244 S245 D250	A244-S248 CarbonylContact C-O 3.59Å; A244-S248 WeakPolarHBondContact CA-O 3.3Å; S245-S248 PolarHBondContact N-O 3.49Å; S245-S248 PolarHBondContact O-N 2.93Å; S245-S248 PolarHBondContact OG-N 3.1Å; S245-S248 PolarHBondContact OG-O 3.31Å; S248-D250 PolarHBondContact O-N 3.46Å; S248-D250 VanDerWaalsContact OG-C 3.3Å; S248-D250 PolarHBondContact OG-N 3.33Å; S248-D250 PolarHBondContact OG-O 3.5Å
249	E	93.7	Very high	94.1	Very high	160 Å²	160	67.5 Å²	67.5	75%	0.748	39%	0.391	S	S	*	.	S	Bend	trans	-63.7	-28.6	173.6	-64.9	-179	165	0	0	113	A244	A244-E249 WeakPolarHBondContact CA-O 3.41Å
250	D	96.1	Very high	94.2	Very high	13 Å²	13	68.1 Å²	68.1	7%	0.07	39%	0.394	C	S	.	.			trans	-152.5	110.6	175.4	-178.2	6.5	0	0	0	109.4	P242 Y243 S248 Y252 K253 K256	P242-D250 HydrophobicContact CB-CB 4.06Å; Y243-D250 PolarHBondContact N-OD1 3.14Å; Y243-D250 VanDerWaalsContact N-OD1 3.16Å; Y243-D250 WeakPolarHBondContact O-CA 3.43Å; S248-D250 PolarHBondContact O-N 3.46Å; S248-D250 VanDerWaalsContact OG-C 3.3Å; S248-D250 PolarHBondContact OG-N 3.33Å; S248-D250 PolarHBondContact OG-O 3.5Å; D250-Y252 PolarHBondContact O-N 2.79Å; D250-Y252 VanDerWaalsContact O-N 3.17Å; D250-Y252 PolarHBondContact OD1-N 2.9Å; D250-K253 HydrophobicContact CB-CB 4.03Å; D250-K253 WeakPolarHBondContact O-CB 3.48Å; D250-K253 PolarHBondContact O-N 3.47Å; D250-K253 VanDerWaalsContact O-N 3.16Å; D250-K256 WeakPolarHBondContact OD2-CE 3.35Å; D250-K256 IonicContact OD2-NZ 2.95Å; D250-K256 PolarHBondContact OD2-NZ 3.26Å
251	V	95.9	Very high	94.4	Very high	13 Å²	13	65 Å²	65	8%	0.079	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.8	179.6	-59.3	0	0	0	0	112.7	Y243	Y243-V251 HydrophobicContact CD1-CG2 3.86Å; Y243-V251 HydrophobicContact CG-CG2 4.46Å; Y243-V251 PolarHBondContact O-N 3.36Å
252	Y	97.3	Very high	94.5	Very high	9 Å²	9	61.2 Å²	61.2	4%	0.035	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-4.9	179.9	-56.9	-68.3	0	0	0	113.9	D152 I223 V236 H238 Y243 D250 P254 L255 K256 F261	D152-Y252 PolarHBondContact OD1-OH 3.45Å; D152-Y252 VanDerWaalsContact OD1-OH 3.12Å; I223-Y252 HydrophobicContact CD1-CD1 4.3Å; I223-Y252 HydrophobicContact CD1-CE1 4.02Å; V236-Y252 HydrophobicContact CG1-CD1 4.39Å; V236-Y252 HydrophobicContact CG1-CE1 4.41Å; H238-Y252 HydrophobicContact CB-CE1 4.49Å; H238-Y252 HydrophobicContact CB-CE2 4.26Å; H238-Y252 AromaticContact CD2-CE2 4Å; H238-Y252 AromaticContact CD2-CZ 3.71Å; H238-Y252 PolarHBondContact CD2-OH 3.5Å; H238-Y252 AromaticContact CE1-CE2 3.98Å; H238-Y252 AromaticContact CG-CE2 3.73Å; H238-Y252 AromaticContact CG-CZ 3.76Å; H238-Y252 AromaticContact ND1-CE2 3.7Å; H238-Y252 PolarHBondContact NE2-OH 2.9Å; Y243-Y252 HydrophobicContact CD1-CE2 4.32Å; Y243-Y252 HydrophobicContact CG-CE2 4.13Å; D250-Y252 PolarHBondContact O-N 2.79Å; D250-Y252 VanDerWaalsContact O-N 3.17Å; D250-Y252 PolarHBondContact OD1-N 2.9Å; Y252-P254 VanDerWaalsContact C-CD 3.5Å; Y252-L255 HydrophobicContact CD1-CD1 4.09Å; Y252-L255 WeakPolarHBondContact O-CB 3.46Å; Y252-L255 PolarHBondContact O-N 3.02Å; Y252-K256 PolarHBondContact O-N 2.97Å; Y252-F261 HydrophobicContact CD1-CD2 4.5Å; Y252-F261 AromaticContact CD1-CE2 3.91Å; Y252-F261 HydrophobicContact CD1-CE2 3.91Å; Y252-F261 HydrophobicContact CD2-CE2 4.16Å; Y252-F261 HydrophobicContact CG-CD2 4.35Å; Y252-F261 AromaticContact CG-CE2 3.6Å; Y252-F261 HydrophobicContact CG-CE2 3.6Å; Y252-F261 HydrophobicContact CG-CZ 4.37Å
253	K	96.4	Very high	94.7	Very high	105 Å²	105	60.5 Å²	60.5	46%	0.457	35%	0.351	S	S	.	.	H	α-helix	trans	-52.5	-45.5	-178.3	-179.9	174.5	-174.5	172.1	0	113.8	D250 L255 K256 D257	D250-K253 HydrophobicContact CB-CB 4.03Å; D250-K253 WeakPolarHBondContact O-CB 3.48Å; D250-K253 PolarHBondContact O-N 3.47Å; D250-K253 VanDerWaalsContact O-N 3.16Å; K253-L255 PolarHBondContact O-N 3.49Å; K253-K256 WeakPolarHBondContact O-CB 3.48Å; K253-K256 PolarHBondContact O-N 3.43Å; K253-K256 VanDerWaalsContact O-N 3.14Å; K253-D257 PolarHBondContact O-N 2.81Å
254	P	95.9	Very high	95	Very high	88 Å²	88	58.1 Å²	58.1	57%	0.571	34%	0.342	S	S	*	.	H	α-helix	trans	-59.6	-32.1	177	-24.1	35.3	0	0	0	113.7	Y252 A258	Y252-P254 VanDerWaalsContact C-CD 3.5Å; P254-A258 VanDerWaalsContact O-CB 3.24Å; P254-A258 WeakPolarHBondContact O-CB 3.34Å; P254-A258 PolarHBondContact O-N 2.92Å
255	L	97	Very high	95.3	Very high	8 Å²	8	60.7 Å²	60.7	4%	0.042	34%	0.342	C	S	.	.	H	α-helix	trans	-77.4	-36.4	178.3	-62	166.7	0	0	0	111.8	I223 L228 V236 Y252 K253 A258 G259 M260 F261	I223-L255 HydrophobicContact CB-CD1 4.11Å; I223-L255 HydrophobicContact CD1-CD1 3.68Å; I223-L255 HydrophobicContact CG1-CD1 4.49Å; I223-L255 HydrophobicContact CG2-CD1 4.28Å; I223-L255 HydrophobicContact CG2-CD2 4.49Å; L228-L255 HydrophobicContact CD1-CD2 3.86Å; L228-L255 HydrophobicContact CD2-CD2 4.35Å; V236-L255 HydrophobicContact CB-CD1 3.92Å; V236-L255 HydrophobicContact CG1-CD1 3.99Å; V236-L255 HydrophobicContact CG2-CD1 3.75Å; V236-L255 HydrophobicContact CG2-CD2 4.2Å; Y252-L255 HydrophobicContact CD1-CD1 4.09Å; Y252-L255 WeakPolarHBondContact O-CB 3.46Å; Y252-L255 PolarHBondContact O-N 3.02Å; K253-L255 PolarHBondContact O-N 3.49Å; L255-A258 PolarHBondContact O-N 3.2Å; L255-G259 PolarHBondContact O-N 2.9Å; L255-M260 HydrophobicContact CD2-CB 4.42Å; L255-M260 PolarHBondContact O-N 3.24Å; L255-F261 HydrophobicContact CB-CB 4.47Å; L255-F261 HydrophobicContact CB-CD2 4.47Å; L255-F261 PolarHBondContact O-N 3.24Å
256	K	96.6	Very high	95.6	Very high	58 Å²	58	66.7 Å²	66.7	25%	0.252	36%	0.361	S	S	.	.	H	α-helix	trans	-60.9	-49.3	171.8	-68.7	175.8	178.3	175.4	0	110	D240 D250 Y252 K253 A258 G259 F261	D240-K256 PolarHBondContact O-NZ 3.29Å; D240-K256 IonicContact OD1-NZ 3.84Å; D250-K256 WeakPolarHBondContact OD2-CE 3.35Å; D250-K256 IonicContact OD2-NZ 2.95Å; D250-K256 PolarHBondContact OD2-NZ 3.26Å; Y252-K256 PolarHBondContact O-N 2.97Å; K253-K256 WeakPolarHBondContact O-CB 3.48Å; K253-K256 PolarHBondContact O-N 3.43Å; K253-K256 VanDerWaalsContact O-N 3.14Å; K256-A258 VanDerWaalsContact C-N 3.3Å; K256-A258 PolarHBondContact O-N 3.27Å; K256-G259 PolarHBondContact O-N 3.1Å; K256-G259 VanDerWaalsContact O-N 3.08Å; K256-F261 HydrophobicContact CB-CB 4.31Å; K256-F261 HydrophobicContact CD-CD1 4.37Å; K256-F261 HydrophobicContact CG-CB 3.71Å; K256-F261 HydrophobicContact CG-CD1 3.74Å; K256-F261 HydrophobicContact CG-CD2 4.16Å; K256-F261 HydrophobicContact CG-CE1 4.36Å; K256-F261 HydrophobicContact CG-CG 3.6Å
257	D	96.1	Very high	96	Very high	127 Å²	127	63 Å²	63	68%	0.679	34%	0.337	S	S	*	.	H	α-helix	trans	-63.5	-34.4	178.5	-66.4	-18.4	0	0	0	112.2	K253 G259	K253-D257 PolarHBondContact O-N 2.81Å; D257-G259 VanDerWaalsContact C-N 3.25Å; D257-G259 PolarHBondContact O-N 2.9Å
258	A	95.6	Very high	96.4	Very high	53 Å²	53	64 Å²	64	44%	0.438	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-3.3	176.4	0	0	0	0	0	114.5	P254 L255 K256 M260	P254-A258 VanDerWaalsContact O-CB 3.24Å; P254-A258 WeakPolarHBondContact O-CB 3.34Å; P254-A258 PolarHBondContact O-N 2.92Å; L255-A258 PolarHBondContact O-N 3.2Å; K256-A258 VanDerWaalsContact C-N 3.3Å; K256-A258 PolarHBondContact O-N 3.27Å; A258-M260 HydrophobicContact CB-CG 4.14Å; A258-M260 HydrophobicContact CB-SD 4.25Å; A258-M260 PolarHBondContact O-N 3.21Å
259	G	95.9	Very high	96.6	Very high	47 Å²	47	64.7 Å²	64.7	49%	0.485	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	22.4	-175.9	0	0	0	0	0	113.8	L255 K256 D257	L255-G259 PolarHBondContact O-N 2.9Å; K256-G259 PolarHBondContact O-N 3.1Å; K256-G259 VanDerWaalsContact O-N 3.08Å; D257-G259 VanDerWaalsContact C-N 3.25Å; D257-G259 PolarHBondContact O-N 2.9Å
260	M	97.7	Very high	96.8	Very high	25 Å²	25	59 Å²	59	12%	0.123	33%	0.325	C	S	.	.			trans	-99.5	-4.2	-179.8	-66.3	180	69.8	0	0	112.5	L228 D234 F235 V236 L255 A258	L228-M260 HydrophobicContact CD1-CE 4.08Å; L228-M260 HydrophobicContact CD1-SD 4.47Å; L228-M260 HydrophobicContact CD2-CE 4.26Å; D234-M260 VanDerWaalsContact O-CE 3.28Å; D234-M260 WeakPolarHBondContact O-CE 3.25Å; F235-M260 CarbonylContact C-O 3.55Å; F235-M260 WeakPolarHBondContact CA-O 3.38Å; V236-M260 PolarHBondContact N-O 3.26Å; L255-M260 HydrophobicContact CD2-CB 4.42Å; L255-M260 PolarHBondContact O-N 3.24Å; A258-M260 HydrophobicContact CB-CG 4.14Å; A258-M260 HydrophobicContact CB-SD 4.25Å; A258-M260 PolarHBondContact O-N 3.21Å
261	F	98.3	Very high	96.8	Very high	28 Å²	28	59.8 Å²	59.8	12%	0.123	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	132.3	-175.8	-164.9	-100.5	0	0	0	112.8	V236 H238 D239 Y252 L255 K256 V263	V236-F261 CarbonylContact O-C 3.6Å; V236-F261 WeakPolarHBondContact O-CA 3.49Å; H238-F261 HydrophobicContact CB-CE2 3.84Å; H238-F261 HydrophobicContact CB-CZ 3.78Å; D239-F261 WeakPolarHBondContact O-CZ 3.48Å; Y252-F261 HydrophobicContact CD1-CD2 4.5Å; Y252-F261 AromaticContact CD1-CE2 3.91Å; Y252-F261 HydrophobicContact CD1-CE2 3.91Å; Y252-F261 HydrophobicContact CD2-CE2 4.16Å; Y252-F261 HydrophobicContact CG-CD2 4.35Å; Y252-F261 AromaticContact CG-CE2 3.6Å; Y252-F261 HydrophobicContact CG-CE2 3.6Å; Y252-F261 HydrophobicContact CG-CZ 4.37Å; L255-F261 HydrophobicContact CB-CB 4.47Å; L255-F261 HydrophobicContact CB-CD2 4.47Å; L255-F261 PolarHBondContact O-N 3.24Å; K256-F261 HydrophobicContact CB-CB 4.31Å; K256-F261 HydrophobicContact CD-CD1 4.37Å; K256-F261 HydrophobicContact CG-CB 3.71Å; K256-F261 HydrophobicContact CG-CD1 3.74Å; K256-F261 HydrophobicContact CG-CD2 4.16Å; K256-F261 HydrophobicContact CG-CE1 4.36Å; K256-F261 HydrophobicContact CG-CG 3.6Å; F261-V263 HydrophobicContact CD1-CG2 4.16Å; F261-V263 HydrophobicContact CE1-CG2 4.05Å
262	L	98.3	Very high	96.8	Very high	23 Å²	23	60.4 Å²	60.4	12%	0.12	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	122.3	175.6	-61	174.9	0	0	0	109.7	L135 V149 A172 F173 F235 V236 A237 H238	L135-L262 HydrophobicContact CD1-CD2 3.82Å; V149-L262 HydrophobicContact CG1-CD1 4.14Å; V149-L262 HydrophobicContact CG2-CD1 4.16Å; A172-L262 HydrophobicContact CB-CD1 4.12Å; F173-L262 HydrophobicContact CE2-CD1 3.65Å; F173-L262 HydrophobicContact CZ-CD1 3.75Å; F173-L262 HydrophobicContact CZ-CD2 3.88Å; F173-L262 HydrophobicContact CZ-CG 4.45Å; F235-L262 HydrophobicContact CB-CD1 3.48Å; F235-L262 VanDerWaalsContact CB-CD1 3.48Å; F235-L262 HydrophobicContact CB-CG 3.8Å; F235-L262 HydrophobicContact CD1-CD2 4.23Å; F235-L262 HydrophobicContact CD1-CG 4.3Å; F235-L262 HydrophobicContact CG-CD1 4Å; F235-L262 HydrophobicContact CG-CD2 4.47Å; F235-L262 HydrophobicContact CG-CG 4.22Å; V236-L262 PolarHBondContact O-N 3.45Å; A237-L262 VanDerWaalsContact CA-O 3.27Å; A237-L262 WeakPolarHBondContact CA-O 3.4Å; A237-L262 HydrophobicContact CB-CB 4.06Å; H238-L262 PolarHBondContact N-O 2.97Å; H238-L262 VanDerWaalsContact O-O 3.14Å
263	V	98	Very high	96.7	Very high	70 Å²	70	65.5 Å²	65.5	42%	0.424	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	128	179.9	175.5	0	0	0	0	110.6	H238 D240 F261	H238-V263 CarbonylContact O-C 3.56Å; H238-V263 WeakPolarHBondContact O-CA 3.35Å; D240-V263 HydrophobicContact CB-CG1 3.76Å; D240-V263 HydrophobicContact CB-CG2 3.98Å; F261-V263 HydrophobicContact CD1-CG2 4.16Å; F261-V263 HydrophobicContact CE1-CG2 4.05Å
264	T	98.2	Very high	96.7	Very high	6 Å²	6	62.6 Å²	62.6	4%	0.037	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	153.6	168.5	63.5	0	0	0	0	110.6	Q165 Q168 A237 H238 D239	Q165-T264 HydrophobicContact CG-CG2 4.4Å; Q168-T264 HydrophobicContact CB-CG2 4.2Å; A237-T264 HydrophobicContact CB-CG2 4.07Å; H238-T264 PolarHBondContact O-N 3.41Å; H238-T264 PolarHBondContact O-OG1 3.23Å; D239-T264 WeakPolarHBondContact CA-O 3.39Å; D239-T264 PolarHBondContact N-OG1 3.47Å
265	Q	97.6	Very high	96.7	Very high	125 Å²	125	60.1 Å²	60.1	58%	0.584	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-98.5	134.8	177.9	-61.4	-58.5	-42.4	0	0	110.8	Q168	Q168-Q265 PolarHBondContact NE2-O 2.81Å
266	R	96.5	Very high	96.7	Very high	146 Å²	146	62.7 Å²	62.7	55%	0.551	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-68	148.8	173.3	-62.9	-178.2	65.3	80.1	2.8	109.9	D239	D239-R266 HydrophobicContact CB-CG 4Å; D239-R266 IonicContact OD2-CZ 2.8Å; D239-R266 IonicContact OD2-NH1 3.21Å; D239-R266 PolarHBondContact OD2-NH1 3.08Å
267	T	96.6	Very high	96.7	Very high	26 Å²	26	61.2 Å²	61.2	16%	0.16	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-89.9	117.9	173.3	-63.1	0	0	0	0	109.5	R164 I270	R164-T267 WeakPolarHBondContact CD-OG1 3.5Å; T267-I270 HydrophobicContact CG2-CG2 3.71Å
268	E	95.5	Very high	96.7	Very high	170 Å²	170	60.5 Å²	60.5	79%	0.794	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	147.2	176.8	-66.8	-55.5	141.5	0	0	112.9	I270	E268-I270 VanDerWaalsContact C-N 3.3Å; E268-I270 PolarHBondContact O-N 3.16Å
269	G	95.2	Very high	96.7	Very high	58 Å²	58	61.7 Å²	61.7	60%	0.598	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	6.7	174.8	0	0	0	0	0	116.1	R278	G269-R278 PolarHBondContact O-NH2 3.38Å
270	I	97.5	Very high	96.6	Very high	41 Å²	41	64.1 Å²	64.1	21%	0.21	35%	0.346	C	S	.	.			trans	-143.5	129.2	171.8	-164.9	170	0	0	0	111.8	H159 S160 T267 E268	H159-I270 HydrophobicContact CB-CD1 3.77Å; H159-I270 HydrophobicContact CB-CG1 4.4Å; S160-I270 WeakPolarHBondContact OG-CD1 3.42Å; T267-I270 HydrophobicContact CG2-CG2 3.71Å; E268-I270 VanDerWaalsContact C-N 3.3Å; E268-I270 PolarHBondContact O-N 3.16Å
271	S	96.6	Very high	96.5	Very high	30 Å²	30	71.2 Å²	71.2	21%	0.21	37%	0.371	C	S	.	.			trans	-158.4	161.1	169.7	62.5	0	0	0	0	109.7	T273 D274 V275	S271-T273 PolarHBondContact O-N 3.12Å; S271-D274 PolarHBondContact O-N 3.2Å; S271-D274 VanDerWaalsContact O-N 3.09Å; S271-D274 WeakPolarHBondContact OG-CB 3.39Å; S271-D274 PolarHBondContact OG-N 3.16Å; S271-V275 WeakPolarHBondContact O-CG2 3.37Å; S271-V275 PolarHBondContact O-N 3.17Å
272	T	95.6	Very high	96.3	Very high	26 Å²	26	73.2 Å²	73.2	16%	0.16	38%	0.383	C	S	.	.	H	α-helix	trans	-52.8	-42.8	170.6	-46.8	0	0	0	0	111.1	D156 M157 H159 D274 V275 I276	D156-T272 HydrophobicContact CB-CG2 4.33Å; D156-T272 PolarHBondContact O-OG1 2.9Å; M157-T272 HydrophobicContact CB-CG2 4.22Å; M157-T272 HydrophobicContact CG-CG2 4.29Å; H159-T272 PolarHBondContact NE2-N 2.71Å; T272-D274 PolarHBondContact O-N 3.21Å; T272-V275 PolarHBondContact O-N 3.15Å; T272-I276 HydrophobicContact CG2-CD1 3.85Å; T272-I276 HydrophobicContact CG2-CG1 4.44Å; T272-I276 WeakPolarHBondContact O-CB 3.28Å; T272-I276 VanDerWaalsContact O-CG1 3.25Å; T272-I276 WeakPolarHBondContact O-CG1 3.38Å; T272-I276 PolarHBondContact O-N 3.09Å
273	T	94.8	Very high	95.9	Very high	115 Å²	115	77 Å²	77	71%	0.706	40%	0.397	S	S	*	.	H	α-helix	trans	-58.7	-44.6	176.1	-51.9	0	0	0	0	112.4	S271 G277	S271-T273 PolarHBondContact O-N 3.12Å; T273-G277 PolarHBondContact O-N 3.48Å
274	D	96.6	Very high	95.5	Very high	45 Å²	45	76.4 Å²	76.4	24%	0.241	39%	0.391	C	S	.	.	H	α-helix	trans	-70.5	-41	178.4	167.1	60.5	0	0	0	112.1	S271 T272 I276 G277 R278	S271-D274 PolarHBondContact O-N 3.2Å; S271-D274 VanDerWaalsContact O-N 3.09Å; S271-D274 WeakPolarHBondContact OG-CB 3.39Å; S271-D274 PolarHBondContact OG-N 3.16Å; T272-D274 PolarHBondContact O-N 3.21Å; D274-I276 PolarHBondContact O-N 3.29Å; D274-G277 PolarHBondContact O-N 3.27Å; D274-R278 VanDerWaalsContact O-CG 3.3Å; D274-R278 WeakPolarHBondContact O-CG 3.44Å; D274-R278 PolarHBondContact O-N 3.38Å; D274-R278 IonicContact OD1-CZ 2.73Å; D274-R278 IonicContact OD1-NE 3.67Å; D274-R278 PolarHBondContact OD1-NE 2.87Å; D274-R278 VanDerWaalsContact OD1-NE 3.11Å; D274-R278 IonicContact OD1-NH2 3.62Å; D274-R278 IonicContact OD2-CZ 3.4Å; D274-R278 IonicContact OD2-NE 2.66Å; D274-R278 PolarHBondContact OD2-NE 2.91Å; D274-R278 IonicContact OD2-NH1 2.73Å; D274-R278 IonicContact OD2-NH2 3.62Å; D274-R278 PolarHBondContact OD2-NH2 3.19Å
275	V	97	Very high	95.1	Very high	36 Å²	36	79.9 Å²	79.9	22%	0.218	41%	0.412	C	S	.	.	H	α-helix	trans	-59.5	-47.6	174	173.8	0	0	0	0	110.5	M157 S271 T272 G277 R278 I279	M157-V275 HydrophobicContact CE-CG1 4.31Å; S271-V275 WeakPolarHBondContact O-CG2 3.37Å; S271-V275 PolarHBondContact O-N 3.17Å; T272-V275 PolarHBondContact O-N 3.15Å; V275-G277 VanDerWaalsContact C-N 3.35Å; V275-G277 PolarHBondContact O-N 3.02Å; V275-R278 PolarHBondContact O-N 3.35Å; V275-I279 HydrophobicContact CG1-CD1 4.14Å; V275-I279 WeakPolarHBondContact O-CG1 3.3Å; V275-I279 PolarHBondContact O-N 3.38Å; V275-I279 VanDerWaalsContact O-N 3.09Å
276	I	95.8	Very high	94.9	Very high	61 Å²	61	77.8 Å²	77.8	31%	0.313	40%	0.4	S	S	.	.	H	α-helix	trans	-60.5	-45.5	174.6	-69.2	169.6	0	0	0	110.3	V196 T272 D274 R278 I279 V280	V196-I276 HydrophobicContact CG2-CD1 3.9Å; V196-I276 HydrophobicContact CG2-CG1 4.17Å; T272-I276 HydrophobicContact CG2-CD1 3.85Å; T272-I276 HydrophobicContact CG2-CG1 4.44Å; T272-I276 WeakPolarHBondContact O-CB 3.28Å; T272-I276 VanDerWaalsContact O-CG1 3.25Å; T272-I276 WeakPolarHBondContact O-CG1 3.38Å; T272-I276 PolarHBondContact O-N 3.09Å; D274-I276 PolarHBondContact O-N 3.29Å; I276-R278 VanDerWaalsContact C-N 3.28Å; I276-R278 PolarHBondContact O-N 2.87Å; I276-I279 PolarHBondContact O-N 3.43Å; I276-V280 HydrophobicContact CG2-CG2 4.06Å; I276-V280 WeakPolarHBondContact O-CG2 3.4Å; I276-V280 PolarHBondContact O-N 3.49Å
277	G	96.3	Very high	94.5	Very high	27 Å²	27	71.1 Å²	71.1	28%	0.278	38%	0.375	S	S	.	.	H	α-helix	trans	-58.1	-38	178.3	0	0	0	0	0	113.2	T273 D274 V275 R281	T273-G277 PolarHBondContact O-N 3.48Å; D274-G277 PolarHBondContact O-N 3.27Å; V275-G277 VanDerWaalsContact C-N 3.35Å; V275-G277 PolarHBondContact O-N 3.02Å; G277-R281 WeakPolarHBondContact O-CB 3.4Å; G277-R281 PolarHBondContact O-N 3.04Å
278	R	96.5	Very high	94.1	Very high	113 Å²	113	74 Å²	74	43%	0.426	38%	0.383	S	S	.	.	H	α-helix	trans	-67	-41.6	173.4	-65.5	167.5	-166.7	-167.7	2.5	111.9	G269 D274 V275 I276 D282	G269-R278 PolarHBondContact O-NH2 3.38Å; D274-R278 VanDerWaalsContact O-CG 3.3Å; D274-R278 WeakPolarHBondContact O-CG 3.44Å; D274-R278 PolarHBondContact O-N 3.38Å; D274-R278 IonicContact OD1-CZ 2.73Å; D274-R278 IonicContact OD1-NE 3.67Å; D274-R278 PolarHBondContact OD1-NE 2.87Å; D274-R278 VanDerWaalsContact OD1-NE 3.11Å; D274-R278 IonicContact OD1-NH2 3.62Å; D274-R278 IonicContact OD2-CZ 3.4Å; D274-R278 IonicContact OD2-NE 2.66Å; D274-R278 PolarHBondContact OD2-NE 2.91Å; D274-R278 IonicContact OD2-NH1 2.73Å; D274-R278 IonicContact OD2-NH2 3.62Å; D274-R278 PolarHBondContact OD2-NH2 3.19Å; V275-R278 PolarHBondContact O-N 3.35Å; I276-R278 VanDerWaalsContact C-N 3.28Å; I276-R278 PolarHBondContact O-N 2.87Å; R278-D282 PolarHBondContact O-N 3.33Å
279	I	95.6	Very high	93.8	Very high	78 Å²	78	71.1 Å²	71.1	40%	0.4	37%	0.365	S	S	.	.	H	α-helix	trans	-64.1	-45.5	177	-66.4	165.8	0	0	0	110.9	V275 I276 D282 Y283	V275-I279 HydrophobicContact CG1-CD1 4.14Å; V275-I279 WeakPolarHBondContact O-CG1 3.3Å; V275-I279 PolarHBondContact O-N 3.38Å; V275-I279 VanDerWaalsContact O-N 3.09Å; I276-I279 PolarHBondContact O-N 3.43Å; I279-D282 CarbonylContact O-C 3.53Å; I279-D282 PolarHBondContact O-N 3.09Å; I279-Y283 WeakPolarHBondContact O-CA 3.36Å; I279-Y283 PolarHBondContact O-N 2.84Å
280	V	94.8	Very high	93.5	Very high	97 Å²	97	70 Å²	70	59%	0.588	35%	0.345	S	S	*	.	H	α-helix	trans	-65	-42.4	-179.6	172.3	0	0	0	0	111.2	I276 D282 Y283	I276-V280 HydrophobicContact CG2-CG2 4.06Å; I276-V280 WeakPolarHBondContact O-CG2 3.4Å; I276-V280 PolarHBondContact O-N 3.49Å; V280-D282 VanDerWaalsContact C-N 3.3Å; V280-D282 PolarHBondContact O-N 3.29Å; V280-Y283 VanDerWaalsContact O-CB 3.28Å; V280-Y283 WeakPolarHBondContact O-CB 3.03Å; V280-Y283 PolarHBondContact O-N 3.16Å
281	R	95.4	Very high	93	Very high	175 Å²	175	70.5 Å²	70.5	66%	0.66	35%	0.348	S	S	*	.	H	α-helix	trans	-58.8	-40.8	178.4	-169.9	-176.4	-56.6	107.3	2.3	112.5	G277	G277-R281 WeakPolarHBondContact O-CB 3.4Å; G277-R281 PolarHBondContact O-N 3.04Å
282	D	93.4	Very high	92.5	Very high	70 Å²	70	79.1 Å²	79.1	37%	0.374	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	21	-177.8	-61.6	-44.4	0	0	0	112.8	R278 I279 V280 D284 V285 Y286	R278-D282 PolarHBondContact O-N 3.33Å; I279-D282 CarbonylContact O-C 3.53Å; I279-D282 PolarHBondContact O-N 3.09Å; V280-D282 VanDerWaalsContact C-N 3.3Å; V280-D282 PolarHBondContact O-N 3.29Å; D282-D284 VanDerWaalsContact C-N 3.35Å; D282-D284 PolarHBondContact O-N 3.22Å; D282-V285 HydrophobicContact CB-CB 4.49Å; D282-V285 WeakPolarHBondContact O-CA 3.25Å; D282-V285 WeakPolarHBondContact O-CB 3.38Å; D282-V285 PolarHBondContact O-N 2.85Å; D282-Y286 HydrophobicContact CB-CD2 4.02Å; D282-Y286 HydrophobicContact CB-CE2 3.6Å; D282-Y286 VanDerWaalsContact O-CD2 3.23Å; D282-Y286 WeakPolarHBondContact O-CD2 3.46Å; D282-Y286 PolarHBondContact O-N 3.05Å; D282-Y286 VanDerWaalsContact O-N 3.08Å
283	Y	91.4	Very high	92.2	Very high	101 Å²	101	86.2 Å²	86.2	40%	0.396	40%	0.4	S	S	.	.	H	α-helix	trans	-51.5	-48.6	-173.7	174.6	-97.8	0	0	0	113	I279 V280 V285 Y286 L287 I302	I279-Y283 WeakPolarHBondContact O-CA 3.36Å; I279-Y283 PolarHBondContact O-N 2.84Å; V280-Y283 VanDerWaalsContact O-CB 3.28Å; V280-Y283 WeakPolarHBondContact O-CB 3.03Å; V280-Y283 PolarHBondContact O-N 3.16Å; Y283-V285 PolarHBondContact O-N 3.34Å; Y283-Y286 PolarHBondContact O-N 3.08Å; Y283-L287 HydrophobicContact CE1-CD2 3.87Å; Y283-L287 VanDerWaalsContact O-CB 3.24Å; Y283-L287 WeakPolarHBondContact O-CB 3Å; Y283-L287 PolarHBondContact O-N 3.39Å; Y283-I302 WeakPolarHBondContact OH-CD1 2.98Å; Y283-I302 WeakPolarHBondContact OH-CG1 3.04Å
284	D	88.5	Confident	91.9	Very high	58 Å²	58	84 Å²	84	31%	0.31	40%	0.399	S	S	.	.	H	α-helix	trans	-65.5	-26.1	-179.4	-81.2	-6.8	0	0	0	112.9	D282 R288 K306	D282-D284 VanDerWaalsContact C-N 3.35Å; D282-D284 PolarHBondContact O-N 3.22Å; D284-R288 WeakPolarHBondContact O-CB 3.41Å; D284-R288 WeakPolarHBondContact O-CG 3.42Å; D284-R288 PolarHBondContact O-N 3.11Å; D284-R288 VanDerWaalsContact O-N 3.16Å; D284-R288 PolarHBondContact O-NE 3.37Å; D284-K306 VanDerWaalsContact CG-NZ 3.27Å; D284-K306 WeakPolarHBondContact OD1-CE 3.11Å; D284-K306 IonicContact OD1-NZ 3.86Å; D284-K306 PolarHBondContact OD1-NZ 2.97Å; D284-K306 IonicContact OD2-NZ 3.92Å; D284-K306 PolarHBondContact OD2-NZ 3.1Å
285	V	90.6	Very high	91.4	Very high	80 Å²	80	85.2 Å²	85.2	49%	0.485	41%	0.405	S	S	.	.	H	α-helix	trans	-74.1	-48.6	174.7	178.7	0	0	0	0	109.9	D282 Y283 L287 R288 R289	D282-V285 HydrophobicContact CB-CB 4.49Å; D282-V285 WeakPolarHBondContact O-CA 3.25Å; D282-V285 WeakPolarHBondContact O-CB 3.38Å; D282-V285 PolarHBondContact O-N 2.85Å; Y283-V285 PolarHBondContact O-N 3.34Å; V285-L287 VanDerWaalsContact C-N 3.28Å; V285-L287 PolarHBondContact O-N 2.62Å; V285-R288 PolarHBondContact O-N 3.01Å; V285-R289 WeakPolarHBondContact O-CB 3.48Å; V285-R289 PolarHBondContact O-N 3.07Å
286	Y	91.9	Very high	90.8	Very high	80 Å²	80	86.1 Å²	86.1	31%	0.314	41%	0.413	S	S	.	.	H	α-helix	trans	-62.2	-38.8	177	-68	-56.9	0	0	0	112.1	D282 Y283 R289 N290	D282-Y286 HydrophobicContact CB-CD2 4.02Å; D282-Y286 HydrophobicContact CB-CE2 3.6Å; D282-Y286 VanDerWaalsContact O-CD2 3.23Å; D282-Y286 WeakPolarHBondContact O-CD2 3.46Å; D282-Y286 PolarHBondContact O-N 3.05Å; D282-Y286 VanDerWaalsContact O-N 3.08Å; Y283-Y286 PolarHBondContact O-N 3.08Å; Y286-R289 PolarHBondContact O-N 2.92Å; Y286-N290 WeakPolarHBondContact O-CB 3.43Å; Y286-N290 VanDerWaalsContact O-CG 3.29Å; Y286-N290 PolarHBondContact O-N 2.91Å
287	L	89.5	Confident	90.1	Very high	6 Å²	6	86.7 Å²	86.7	3%	0.031	41%	0.411	C	S	.	.	H	α-helix	trans	-61.6	-52.8	176.2	175.2	49	0	0	0	111.9	Y283 V285 R289 N290 I291 L300 I302 K306 I310	Y283-L287 HydrophobicContact CE1-CD2 3.87Å; Y283-L287 VanDerWaalsContact O-CB 3.24Å; Y283-L287 WeakPolarHBondContact O-CB 3Å; Y283-L287 PolarHBondContact O-N 3.39Å; V285-L287 VanDerWaalsContact C-N 3.28Å; V285-L287 PolarHBondContact O-N 2.62Å; L287-R289 VanDerWaalsContact C-N 3.26Å; L287-R289 PolarHBondContact O-N 3.09Å; L287-N290 PolarHBondContact O-N 3.3Å; L287-N290 VanDerWaalsContact O-N 3.09Å; L287-I291 HydrophobicContact CD1-CD1 3.68Å; L287-I291 HydrophobicContact CD1-CG1 3.95Å; L287-I291 HydrophobicContact CG-CD1 4.04Å; L287-I291 WeakPolarHBondContact O-CG1 3.43Å; L287-I291 PolarHBondContact O-N 3.03Å; L287-L300 HydrophobicContact CD1-CD1 3.58Å; L287-I302 HydrophobicContact CD1-CD1 2.99Å; L287-I302 HydrophobicContact CD1-CG1 4.46Å; L287-I302 HydrophobicContact CD2-CD1 3.5Å; L287-I302 VanDerWaalsContact CD2-CD1 3.5Å; L287-I302 HydrophobicContact CG-CD1 3.82Å; L287-K306 HydrophobicContact CD2-CG 4.36Å; L287-I310 HydrophobicContact CD2-CD1 3.21Å; L287-I310 HydrophobicContact CG-CD1 3.57Å
288	R	86.8	Confident	89.5	Confident	86 Å²	86	93.4 Å²	93.4	33%	0.325	43%	0.433	S	S	.	.	H	α-helix	trans	-54.9	-43.6	175.9	-82.6	-176.4	-70	175.9	-2.3	112.3	D284 V285 R292 I310 E317	D284-R288 WeakPolarHBondContact O-CB 3.41Å; D284-R288 WeakPolarHBondContact O-CG 3.42Å; D284-R288 PolarHBondContact O-N 3.11Å; D284-R288 VanDerWaalsContact O-N 3.16Å; D284-R288 PolarHBondContact O-NE 3.37Å; V285-R288 PolarHBondContact O-N 3.01Å; R288-R292 WeakPolarHBondContact O-CB 3.49Å; R288-R292 PolarHBondContact O-N 3.39Å; R288-I310 HydrophobicContact CG-CG2 3.46Å; R288-I310 VanDerWaalsContact CG-CG2 3.46Å; R288-E317 IonicContact NH1-OE1 3.05Å; R288-E317 PolarHBondContact NH1-OE1 3.49Å
289	R	89.2	Confident	89	Confident	110 Å²	110	93.5 Å²	93.5	42%	0.415	44%	0.442	S	S	.	.	H	α-helix	trans	-61.3	-44.7	176.9	-175.6	-174.3	70.4	177.8	0.8	111.7	V285 Y286 L287 R292 R293	V285-R289 WeakPolarHBondContact O-CB 3.48Å; V285-R289 PolarHBondContact O-N 3.07Å; Y286-R289 PolarHBondContact O-N 2.92Å; L287-R289 VanDerWaalsContact C-N 3.26Å; L287-R289 PolarHBondContact O-N 3.09Å; R289-R292 PolarHBondContact O-N 3.16Å; R289-R293 WeakPolarHBondContact O-CG 3.23Å; R289-R293 PolarHBondContact O-N 2.84Å
290	N	90.8	Very high	88.5	Confident	36 Å²	36	91.9 Å²	91.9	19%	0.193	43%	0.434	C	S	.	.	H	α-helix	trans	-69	-42.9	-178.1	-77.7	-4.5	0	0	0	112.2	Y286 L287 R292 R293 G294 L295 L300	Y286-N290 WeakPolarHBondContact O-CB 3.43Å; Y286-N290 VanDerWaalsContact O-CG 3.29Å; Y286-N290 PolarHBondContact O-N 2.91Å; L287-N290 PolarHBondContact O-N 3.3Å; L287-N290 VanDerWaalsContact O-N 3.09Å; N290-R292 VanDerWaalsContact C-N 3.29Å; N290-R292 PolarHBondContact O-N 3.38Å; N290-R293 PolarHBondContact O-N 3.24Å; N290-R293 VanDerWaalsContact O-N 3.08Å; N290-G294 PolarHBondContact O-N 3.25Å; N290-L295 HydrophobicContact CB-CB 4.38Å; N290-L295 HydrophobicContact CB-CD1 3.53Å; N290-L295 WeakPolarHBondContact O-CB 3.36Å; N290-L295 PolarHBondContact O-N 3.06Å; N290-L295 VanDerWaalsContact O-N 3.15Å; N290-L300 HydrophobicContact CB-CD1 3.99Å; N290-L300 HydrophobicContact CB-CD2 4.25Å
291	I	86.4	Confident	88	Confident	50 Å²	50	94.5 Å²	94.5	26%	0.256	45%	0.445	S	S	.	.	H	α-helix	trans	-57.6	-44	172.5	-68.2	168.8	0	0	0	110.3	L287 R293 G294 L300 I310	L287-I291 HydrophobicContact CD1-CD1 3.68Å; L287-I291 HydrophobicContact CD1-CG1 3.95Å; L287-I291 HydrophobicContact CG-CD1 4.04Å; L287-I291 WeakPolarHBondContact O-CG1 3.43Å; L287-I291 PolarHBondContact O-N 3.03Å; I291-R293 VanDerWaalsContact C-N 3.27Å; I291-R293 PolarHBondContact O-N 3.08Å; I291-G294 PolarHBondContact O-N 2.96Å; I291-L300 HydrophobicContact CG1-CD1 4.15Å; I291-I310 HydrophobicContact CD1-CD1 4.22Å; I291-I310 HydrophobicContact CD1-CG2 4.17Å
292	R	85.7	Confident	87.5	Confident	212 Å²	212	86.9 Å²	86.9	80%	0.8	42%	0.417	S	S	*	.	H	α-helix	trans	-64	-30.5	177.2	-176.3	175.7	178.8	-178.2	-1.7	113.4	R288 R289 N290 G294	R288-R292 WeakPolarHBondContact O-CB 3.49Å; R288-R292 PolarHBondContact O-N 3.39Å; R289-R292 PolarHBondContact O-N 3.16Å; N290-R292 VanDerWaalsContact C-N 3.29Å; N290-R292 PolarHBondContact O-N 3.38Å; R292-G294 PolarHBondContact O-N 3.41Å
293	R	90	Very high	87.1	Confident	175 Å²	175	87 Å²	87	66%	0.66	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-2.4	174.7	-73.3	175.5	174.1	-179.9	-5.3	113.1	R289 N290 I291	R289-R293 WeakPolarHBondContact O-CG 3.23Å; R289-R293 PolarHBondContact O-N 2.84Å; N290-R293 PolarHBondContact O-N 3.24Å; N290-R293 VanDerWaalsContact O-N 3.08Å; I291-R293 VanDerWaalsContact C-N 3.27Å; I291-R293 PolarHBondContact O-N 3.08Å
294	G	87.4	Confident	86.7	Confident	67 Å²	67	88 Å²	88	69%	0.691	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.6	11.6	177.4	0	0	0	0	0	114.7	N290 I291 R292	N290-G294 PolarHBondContact O-N 3.25Å; I291-G294 PolarHBondContact O-N 2.96Å; R292-G294 PolarHBondContact O-N 3.41Å
295	L	87.4	Confident	86.5	Confident	72 Å²	72	92 Å²	92	38%	0.377	45%	0.445	S	S	.	.			trans	-69.9	134.1	172.5	-75	155.2	0	0	0	110.1	N290 L300	N290-L295 HydrophobicContact CB-CB 4.38Å; N290-L295 HydrophobicContact CB-CD1 3.53Å; N290-L295 WeakPolarHBondContact O-CB 3.36Å; N290-L295 PolarHBondContact O-N 3.06Å; N290-L295 VanDerWaalsContact O-N 3.15Å; L295-L300 HydrophobicContact CB-CD1 4.15Å; L295-L300 HydrophobicContact CB-CD2 4.39Å; L295-L300 HydrophobicContact CB-CG 4.27Å; L295-L300 HydrophobicContact CD1-CD2 4.43Å
296	S	84.6	Confident	86.1	Confident	55 Å²	55	91.3 Å²	91.3	39%	0.385	44%	0.436	S	S	.	.			trans	-74.5	151.4	-179.2	-177.4	0	0	0	0	111.4	K298 D299 L300	S296-K298 PolarHBondContact O-N 3.3Å; S296-K298 PolarHBondContact OG-N 3.3Å; S296-D299 VanDerWaalsContact CB-OD2 3.28Å; S296-D299 WeakPolarHBondContact CB-OD2 3.39Å; S296-D299 PolarHBondContact N-OD2 3.42Å; S296-D299 PolarHBondContact O-N 3.27Å; S296-D299 VanDerWaalsContact O-N 3.16Å; S296-L300 PolarHBondContact O-N 3.02Å
297	R	80.4	Confident	85.7	Confident	72 Å²	72	90 Å²	90	27%	0.272	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-36.2	171.3	177.4	-179	62.6	96	-2.8	112.5	L300 N301 I302 E307	R297-L300 PolarHBondContact O-N 3.36Å; R297-N301 PolarHBondContact O-N 3.37Å; R297-I302 WeakPolarHBondContact CD-O 3.24Å; R297-I302 HydrophobicContact CG-CB 4.04Å; R297-I302 HydrophobicContact CG-CG2 4.41Å; R297-I302 WeakPolarHBondContact CG-O 3.33Å; R297-I302 PolarHBondContact NH1-O 3.03Å; R297-I302 PolarHBondContact O-N 3.41Å; R297-I302 VanDerWaalsContact O-N 3.1Å; R297-E307 WeakPolarHBondContact CB-OE2 3.49Å; R297-E307 WeakPolarHBondContact CD-OE2 3.28Å; R297-E307 HydrophobicContact CG-CB 4.27Å; R297-E307 IonicContact NE-OE2 3.51Å; R297-E307 PolarHBondContact NE-OE2 3.03Å; R297-E307 VanDerWaalsContact NE-OE2 3.16Å
298	K	83.3	Confident	85.5	Confident	168 Å²	168	93.2 Å²	93.2	73%	0.73	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-42.6	-179.8	-67.5	-175.8	-179.6	179.2	0	111.1	S296 L300 N301	S296-K298 PolarHBondContact O-N 3.3Å; S296-K298 PolarHBondContact OG-N 3.3Å; K298-L300 VanDerWaalsContact C-N 3.27Å; K298-L300 PolarHBondContact O-N 3.18Å; K298-N301 PolarHBondContact O-N 3.46Å; K298-N301 VanDerWaalsContact O-N 3.12Å
299	D	86.1	Confident	85.4	Confident	116 Å²	116	91.1 Å²	91.1	62%	0.62	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-33.4	179.7	-51.2	-24.8	0	0	0	111.8	S296 N301	S296-D299 VanDerWaalsContact CB-OD2 3.28Å; S296-D299 WeakPolarHBondContact CB-OD2 3.39Å; S296-D299 PolarHBondContact N-OD2 3.42Å; S296-D299 PolarHBondContact O-N 3.27Å; S296-D299 VanDerWaalsContact O-N 3.16Å; D299-N301 VanDerWaalsContact C-N 3.31Å
300	L	84.7	Confident	85.1	Confident	44 Å²	44	86.3 Å²	86.3	23%	0.23	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-2.3	178.5	-60.2	175.9	0	0	0	113.4	L287 N290 I291 L295 S296 R297 K298 I302	L287-L300 HydrophobicContact CD1-CD1 3.58Å; N290-L300 HydrophobicContact CB-CD1 3.99Å; N290-L300 HydrophobicContact CB-CD2 4.25Å; I291-L300 HydrophobicContact CG1-CD1 4.15Å; L295-L300 HydrophobicContact CB-CD1 4.15Å; L295-L300 HydrophobicContact CB-CD2 4.39Å; L295-L300 HydrophobicContact CB-CG 4.27Å; L295-L300 HydrophobicContact CD1-CD2 4.43Å; S296-L300 PolarHBondContact O-N 3.02Å; R297-L300 PolarHBondContact O-N 3.36Å; K298-L300 VanDerWaalsContact C-N 3.27Å; K298-L300 PolarHBondContact O-N 3.18Å; L300-I302 HydrophobicContact CB-CD1 3.55Å; L300-I302 HydrophobicContact CB-CG1 4.16Å; L300-I302 HydrophobicContact CD1-CD1 4.35Å; L300-I302 WeakPolarHBondContact O-CG1 3.43Å
301	N	84.6	Confident	84.8	Confident	152 Å²	152	88.8 Å²	88.8	81%	0.813	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	50.8	-175.6	-169.4	28.7	0	0	0	113.9	R297 K298 D299	R297-N301 PolarHBondContact O-N 3.37Å; K298-N301 PolarHBondContact O-N 3.46Å; K298-N301 VanDerWaalsContact O-N 3.12Å; D299-N301 VanDerWaalsContact C-N 3.31Å
302	I	84.2	Confident	84.8	Confident	14 Å²	14	92 Å²	92	7%	0.072	46%	0.455	C	S	.	.			trans	-113.3	145.3	-175.1	-70.2	162.3	0	0	0	111.6	Y283 L287 R297 L300 K306	Y283-I302 WeakPolarHBondContact OH-CD1 2.98Å; Y283-I302 WeakPolarHBondContact OH-CG1 3.04Å; L287-I302 HydrophobicContact CD1-CD1 2.99Å; L287-I302 HydrophobicContact CD1-CG1 4.46Å; L287-I302 HydrophobicContact CD2-CD1 3.5Å; L287-I302 VanDerWaalsContact CD2-CD1 3.5Å; L287-I302 HydrophobicContact CG-CD1 3.82Å; R297-I302 WeakPolarHBondContact CD-O 3.24Å; R297-I302 HydrophobicContact CG-CB 4.04Å; R297-I302 HydrophobicContact CG-CG2 4.41Å; R297-I302 WeakPolarHBondContact CG-O 3.33Å; R297-I302 PolarHBondContact NH1-O 3.03Å; R297-I302 PolarHBondContact O-N 3.41Å; R297-I302 VanDerWaalsContact O-N 3.1Å; L300-I302 HydrophobicContact CB-CD1 3.55Å; L300-I302 HydrophobicContact CB-CG1 4.16Å; L300-I302 HydrophobicContact CD1-CD1 4.35Å; L300-I302 WeakPolarHBondContact O-CG1 3.43Å; I302-K306 HydrophobicContact CG2-CB 3.64Å; I302-K306 HydrophobicContact CG2-CG 3.82Å
303	S	85	Confident	84.7	Confident	72 Å²	72	86.1 Å²	86.1	50%	0.503	44%	0.436	S	S	.	.			trans	-69.1	145.8	176.1	73.6	0	0	0	0	111	M305 K306 E307	S303-M305 PolarHBondContact O-N 3.27Å; S303-K306 PolarHBondContact O-N 3.17Å; S303-K306 PolarHBondContact OG-N 3.17Å; S303-E307 PolarHBondContact O-N 3.27Å
304	Y	83.6	Confident	84.4	Confident	124 Å²	124	83 Å²	83	49%	0.486	43%	0.426	S	S	.	.	H	α-helix	trans	-55.4	-36.6	179.8	178.4	-106.1	0	0	0	112.3	K306 E307 K308	Y304-K306 PolarHBondContact O-N 3.18Å; Y304-E307 PolarHBondContact O-N 3.3Å; Y304-K308 HydrophobicContact CD1-CG 4.33Å; Y304-K308 HydrophobicContact CE1-CG 3.89Å; Y304-K308 HydrophobicContact CE2-CD 4.47Å; Y304-K308 HydrophobicContact CE2-CG 4.09Å; Y304-K308 VanDerWaalsContact CZ-CE 3.43Å; Y304-K308 PolarHBondContact O-N 3.38Å; Y304-K308 WeakPolarHBondContact OH-CE 3.33Å
305	M	84.4	Confident	84.3	Confident	141 Å²	141	83.8 Å²	83.8	70%	0.695	41%	0.414	S	S	*	.	H	α-helix	trans	-62.7	-40.5	177	-66.2	-55.8	-62.6	0	0	112.8	S303 K308 S309	S303-M305 PolarHBondContact O-N 3.27Å; M305-K308 PolarHBondContact O-N 2.95Å; M305-S309 WeakPolarHBondContact O-CB 3.1Å; M305-S309 PolarHBondContact O-N 2.96Å
306	K	82.8	Confident	84.2	Confident	65 Å²	65	84.7 Å²	84.7	28%	0.283	42%	0.418	S	S	.	.	H	α-helix	trans	-69.9	-41.3	178.7	-175.9	70.7	174.2	-177.7	0	110.7	D284 L287 I302 S303 Y304 K308 S309 I310	D284-K306 VanDerWaalsContact CG-NZ 3.27Å; D284-K306 WeakPolarHBondContact OD1-CE 3.11Å; D284-K306 IonicContact OD1-NZ 3.86Å; D284-K306 PolarHBondContact OD1-NZ 2.97Å; D284-K306 IonicContact OD2-NZ 3.92Å; D284-K306 PolarHBondContact OD2-NZ 3.1Å; L287-K306 HydrophobicContact CD2-CG 4.36Å; I302-K306 HydrophobicContact CG2-CB 3.64Å; I302-K306 HydrophobicContact CG2-CG 3.82Å; S303-K306 PolarHBondContact O-N 3.17Å; S303-K306 PolarHBondContact OG-N 3.17Å; Y304-K306 PolarHBondContact O-N 3.18Å; K306-K308 PolarHBondContact O-N 2.8Å; K306-S309 WeakPolarHBondContact CA-OG 3.43Å; K306-S309 PolarHBondContact O-N 3.46Å; K306-S309 PolarHBondContact O-OG 3.48Å; K306-I310 HydrophobicContact CG-CD1 4.19Å; K306-I310 VanDerWaalsContact O-CG1 3.29Å; K306-I310 WeakPolarHBondContact O-CG1 3.38Å; K306-I310 PolarHBondContact O-N 3.17Å
307	E	82.5	Confident	84.2	Confident	54 Å²	54	85.5 Å²	85.5	25%	0.252	42%	0.416	S	S	.	.	H	α-helix	trans	-56.6	-50.1	171.8	178	-175.4	-159.5	0	0	111.7	R297 S303 Y304 S309 I310 Q311	R297-E307 WeakPolarHBondContact CB-OE2 3.49Å; R297-E307 WeakPolarHBondContact CD-OE2 3.28Å; R297-E307 HydrophobicContact CG-CB 4.27Å; R297-E307 IonicContact NE-OE2 3.51Å; R297-E307 PolarHBondContact NE-OE2 3.03Å; R297-E307 VanDerWaalsContact NE-OE2 3.16Å; S303-E307 PolarHBondContact O-N 3.27Å; Y304-E307 PolarHBondContact O-N 3.3Å; E307-S309 VanDerWaalsContact C-N 3.35Å; E307-S309 PolarHBondContact O-N 2.93Å; E307-I310 WeakPolarHBondContact O-CB 3.31Å; E307-I310 PolarHBondContact O-N 2.93Å; E307-I310 VanDerWaalsContact O-N 3.17Å; E307-Q311 PolarHBondContact O-N 2.67Å
308	K	84.6	Confident	84.5	Confident	73 Å²	73	83.4 Å²	83.4	32%	0.317	41%	0.41	S	S	.	.	H	α-helix	trans	-64.8	-37.3	178.3	-72.2	-60.1	-176.8	-172.9	0	113	Y304 M305 K306 I310 Q311 L312	Y304-K308 HydrophobicContact CD1-CG 4.33Å; Y304-K308 HydrophobicContact CE1-CG 3.89Å; Y304-K308 HydrophobicContact CE2-CD 4.47Å; Y304-K308 HydrophobicContact CE2-CG 4.09Å; Y304-K308 VanDerWaalsContact CZ-CE 3.43Å; Y304-K308 PolarHBondContact O-N 3.38Å; Y304-K308 WeakPolarHBondContact OH-CE 3.33Å; M305-K308 PolarHBondContact O-N 2.95Å; K306-K308 PolarHBondContact O-N 2.8Å; K308-I310 VanDerWaalsContact C-N 3.26Å; K308-I310 PolarHBondContact O-N 2.86Å; K308-Q311 PolarHBondContact O-N 3.3Å; K308-L312 WeakPolarHBondContact O-CB 3.29Å; K308-L312 VanDerWaalsContact O-CG 3.31Å; K308-L312 WeakPolarHBondContact O-CG 3.47Å; K308-L312 PolarHBondContact O-N 3.38Å
309	S	86.3	Confident	84.5	Confident	41 Å²	41	81.3 Å²	81.3	29%	0.287	41%	0.405	S	S	.	.	H	α-helix	trans	-60.3	-39.5	174.5	75.9	0	0	0	0	111.6	M305 K306 E307 L312 Q313	M305-S309 WeakPolarHBondContact O-CB 3.1Å; M305-S309 PolarHBondContact O-N 2.96Å; K306-S309 WeakPolarHBondContact CA-OG 3.43Å; K306-S309 PolarHBondContact O-N 3.46Å; K306-S309 PolarHBondContact O-OG 3.48Å; E307-S309 VanDerWaalsContact C-N 3.35Å; E307-S309 PolarHBondContact O-N 2.93Å; S309-L312 PolarHBondContact O-N 2.86Å; S309-Q313 WeakPolarHBondContact O-CB 3.36Å; S309-Q313 VanDerWaalsContact O-CG 3.25Å; S309-Q313 WeakPolarHBondContact O-CG 3.44Å; S309-Q313 PolarHBondContact O-N 3.35Å
310	I	83.1	Confident	84.3	Confident	9 Å²	9	81.8 Å²	81.8	5%	0.046	41%	0.405	C	S	.	.	H	α-helix	trans	-70.3	-42.4	178.2	-71.8	169.2	0	0	0	111.1	L287 R288 I291 K306 E307 K308 L312 Q313 Y314	L287-I310 HydrophobicContact CD2-CD1 3.21Å; L287-I310 HydrophobicContact CG-CD1 3.57Å; R288-I310 HydrophobicContact CG-CG2 3.46Å; R288-I310 VanDerWaalsContact CG-CG2 3.46Å; I291-I310 HydrophobicContact CD1-CD1 4.22Å; I291-I310 HydrophobicContact CD1-CG2 4.17Å; K306-I310 HydrophobicContact CG-CD1 4.19Å; K306-I310 VanDerWaalsContact O-CG1 3.29Å; K306-I310 WeakPolarHBondContact O-CG1 3.38Å; K306-I310 PolarHBondContact O-N 3.17Å; E307-I310 WeakPolarHBondContact O-CB 3.31Å; E307-I310 PolarHBondContact O-N 2.93Å; E307-I310 VanDerWaalsContact O-N 3.17Å; K308-I310 VanDerWaalsContact C-N 3.26Å; K308-I310 PolarHBondContact O-N 2.86Å; I310-L312 VanDerWaalsContact C-N 3.34Å; I310-Q313 PolarHBondContact O-N 3.44Å; I310-Y314 WeakPolarHBondContact O-CB 3.45Å; I310-Y314 PolarHBondContact O-N 3.03Å
311	Q	83.2	Confident	84.2	Confident	89 Å²	89	86.2 Å²	86.2	42%	0.416	42%	0.422	S	S	.	.	H	α-helix	trans	-62.9	-42	176.2	-168.7	176.1	27.1	0	0	111.4	E307 K308 Y314 N315	E307-Q311 PolarHBondContact O-N 2.67Å; K308-Q311 PolarHBondContact O-N 3.3Å; Q311-Y314 PolarHBondContact O-N 3.48Å; Q311-N315 WeakPolarHBondContact O-CB 3.25Å; Q311-N315 PolarHBondContact O-N 2.84Å; Q311-N315 PolarHBondContact O-ND2 3.34Å
312	L	86.8	Confident	84	Confident	118 Å²	118	87.7 Å²	87.7	62%	0.618	42%	0.416	S	S	*	.	H	α-helix	trans	-64.8	-44.6	175.7	-75.5	172.5	0	0	0	111.9	K308 S309 I310 Y314 N315 L316	K308-L312 WeakPolarHBondContact O-CB 3.29Å; K308-L312 VanDerWaalsContact O-CG 3.31Å; K308-L312 WeakPolarHBondContact O-CG 3.47Å; K308-L312 PolarHBondContact O-N 3.38Å; S309-L312 PolarHBondContact O-N 2.86Å; I310-L312 VanDerWaalsContact C-N 3.34Å; L312-Y314 VanDerWaalsContact C-N 3.31Å; L312-Y314 PolarHBondContact O-N 3.28Å; L312-N315 PolarHBondContact O-N 2.8Å; L312-L316 VanDerWaalsContact O-CB 3.28Å; L312-L316 WeakPolarHBondContact O-CB 3.34Å; L312-L316 PolarHBondContact O-N 2.89Å
313	Q	84.5	Confident	83.7	Confident	88 Å²	88	88 Å²	88	41%	0.411	42%	0.422	S	S	.	.	H	α-helix	trans	-58.9	-43.3	174.8	-77.5	174.5	0.9	0	0	111.4	S309 I310 L316 E317	S309-Q313 WeakPolarHBondContact O-CB 3.36Å; S309-Q313 VanDerWaalsContact O-CG 3.25Å; S309-Q313 WeakPolarHBondContact O-CG 3.44Å; S309-Q313 PolarHBondContact O-N 3.35Å; I310-Q313 PolarHBondContact O-N 3.44Å; Q313-L316 PolarHBondContact O-N 3.45Å; Q313-E317 WeakPolarHBondContact O-CB 3.35Å; Q313-E317 VanDerWaalsContact O-CG 3.32Å; Q313-E317 WeakPolarHBondContact O-CG 3.48Å; Q313-E317 PolarHBondContact O-N 3.21Å
314	Y	82.4	Confident	83.4	Confident	110 Å²	110	87.2 Å²	87.2	43%	0.431	42%	0.417	S	S	.	.	H	α-helix	trans	-64.5	-44	176.2	178.6	-104.7	0	0	0	112.7	I310 Q311 L312 L316 E317 N318	I310-Y314 WeakPolarHBondContact O-CB 3.45Å; I310-Y314 PolarHBondContact O-N 3.03Å; Q311-Y314 PolarHBondContact O-N 3.48Å; L312-Y314 VanDerWaalsContact C-N 3.31Å; L312-Y314 PolarHBondContact O-N 3.28Å; Y314-L316 VanDerWaalsContact C-N 3.3Å; Y314-L316 PolarHBondContact O-N 2.91Å; Y314-E317 PolarHBondContact O-N 3.43Å; Y314-N318 WeakPolarHBondContact CE1-ND2 3.28Å; Y314-N318 WeakPolarHBondContact O-CB 3.3Å; Y314-N318 PolarHBondContact O-N 3.38Å; Y314-N318 PolarHBondContact OH-ND2 2.92Å; Y314-N318 VanDerWaalsContact OH-ND2 3.17Å
315	N	86.7	Confident	82.9	Confident	83 Å²	83	85.2 Å²	85.2	44%	0.444	42%	0.418	S	S	.	.	H	α-helix	trans	-61.6	-41	175.5	-71.4	-13.5	0	0	0	111.2	Q311 L312 N318 M319	Q311-N315 WeakPolarHBondContact O-CB 3.25Å; Q311-N315 PolarHBondContact O-N 2.84Å; Q311-N315 PolarHBondContact O-ND2 3.34Å; L312-N315 PolarHBondContact O-N 2.8Å; N315-N318 PolarHBondContact O-N 3.32Å; N315-M319 VanDerWaalsContact O-CB 3.24Å; N315-M319 WeakPolarHBondContact O-CB 3.32Å; N315-M319 PolarHBondContact O-N 3.35Å
316	L	84.3	Confident	82.4	Confident	91 Å²	91	84.9 Å²	84.9	48%	0.476	41%	0.413	S	S	.	.	H	α-helix	trans	-66	-46.3	176	-170.3	155.9	0	0	0	111.2	L312 Q313 Y314 N318 M319 M320	L312-L316 VanDerWaalsContact O-CB 3.28Å; L312-L316 WeakPolarHBondContact O-CB 3.34Å; L312-L316 PolarHBondContact O-N 2.89Å; Q313-L316 PolarHBondContact O-N 3.45Å; Y314-L316 VanDerWaalsContact C-N 3.3Å; Y314-L316 PolarHBondContact O-N 2.91Å; L316-N318 VanDerWaalsContact C-N 3.33Å; L316-N318 PolarHBondContact O-N 3.06Å; L316-M319 CarbonylContact O-C 3.52Å; L316-M319 PolarHBondContact O-N 2.9Å; L316-M320 HydrophobicContact CD2-CG 3.94Å; L316-M320 HydrophobicContact CD2-SD 3.43Å; L316-M320 WeakPolarHBondContact CD2-SD 3.42Å; L316-M320 WeakPolarHBondContact O-CB 3.41Å; L316-M320 WeakPolarHBondContact O-CG 3.24Å; L316-M320 PolarHBondContact O-N 3.4Å
317	E	85.4	Confident	81.8	Confident	71 Å²	71	86.2 Å²	86.2	33%	0.332	42%	0.422	S	S	.	.	H	α-helix	trans	-59.2	-43.3	175.3	-77.8	177.6	-165.8	0	0	111.5	R288 Q313 Y314 M320 K321	R288-E317 IonicContact NH1-OE1 3.05Å; R288-E317 PolarHBondContact NH1-OE1 3.49Å; Q313-E317 WeakPolarHBondContact O-CB 3.35Å; Q313-E317 VanDerWaalsContact O-CG 3.32Å; Q313-E317 WeakPolarHBondContact O-CG 3.48Å; Q313-E317 PolarHBondContact O-N 3.21Å; Y314-E317 PolarHBondContact O-N 3.43Å; E317-M320 PolarHBondContact O-N 2.76Å; E317-K321 VanDerWaalsContact O-CG 3.3Å; E317-K321 WeakPolarHBondContact O-CG 3.43Å; E317-K321 PolarHBondContact O-N 3.25Å
318	N	86.2	Confident	81.3	Confident	29 Å²	29	89.5 Å²	89.5	16%	0.155	44%	0.437	C	S	.	.	H	α-helix	trans	-68.3	-39.5	176.5	-78.2	-14.2	0	0	0	112.5	Y314 N315 L316 M320 K321 R322	Y314-N318 WeakPolarHBondContact CE1-ND2 3.28Å; Y314-N318 WeakPolarHBondContact O-CB 3.3Å; Y314-N318 PolarHBondContact O-N 3.38Å; Y314-N318 PolarHBondContact OH-ND2 2.92Å; Y314-N318 VanDerWaalsContact OH-ND2 3.17Å; N315-N318 PolarHBondContact O-N 3.32Å; L316-N318 VanDerWaalsContact C-N 3.33Å; L316-N318 PolarHBondContact O-N 3.06Å; N318-M320 VanDerWaalsContact C-N 3.34Å; N318-K321 PolarHBondContact O-N 2.84Å; N318-R322 WeakPolarHBondContact O-CB 3.35Å; N318-R322 WeakPolarHBondContact O-CG 3.19Å; N318-R322 PolarHBondContact O-N 3.47Å
319	M	82.9	Confident	80.9	Confident	124 Å²	124	90.7 Å²	90.7	61%	0.611	45%	0.447	S	S	*	.	H	α-helix	trans	-66.4	-37.3	174.2	-177.6	-179.9	65.8	0	0	111	N315 L316 G323	N315-M319 VanDerWaalsContact O-CB 3.24Å; N315-M319 WeakPolarHBondContact O-CB 3.32Å; N315-M319 PolarHBondContact O-N 3.35Å; L316-M319 CarbonylContact O-C 3.52Å; L316-M319 PolarHBondContact O-N 2.9Å; M319-G323 WeakPolarHBondContact O-CA 3.34Å; M319-G323 PolarHBondContact O-N 3.48Å
320	M	81.8	Confident	80.5	Confident	125 Å²	125	94 Å²	94	62%	0.616	46%	0.456	S	S	*	.	H	α-helix	trans	-66.9	-38.6	172.7	-76.9	-177.4	68.5	0	0	111.8	L316 E317 N318 G323 S324	L316-M320 HydrophobicContact CD2-CG 3.94Å; L316-M320 HydrophobicContact CD2-SD 3.43Å; L316-M320 WeakPolarHBondContact CD2-SD 3.42Å; L316-M320 WeakPolarHBondContact O-CB 3.41Å; L316-M320 WeakPolarHBondContact O-CG 3.24Å; L316-M320 PolarHBondContact O-N 3.4Å; E317-M320 PolarHBondContact O-N 2.76Å; N318-M320 VanDerWaalsContact C-N 3.34Å; M320-G323 CarbonylContact O-C 3.51Å; M320-G323 PolarHBondContact O-N 3.48Å; M320-S324 WeakPolarHBondContact O-CB 3.42Å; M320-S324 PolarHBondContact O-N 3.08Å
321	K	82.8	Confident	80.1	Confident	138 Å²	138	96.3 Å²	96.3	60%	0.6	47%	0.469	S	S	*	.	H	α-helix	trans	-64.6	-47.8	174.7	-74.8	171.3	-176.9	172.7	0	111.7	E317 N318 G323 S324	E317-K321 VanDerWaalsContact O-CG 3.3Å; E317-K321 WeakPolarHBondContact O-CG 3.43Å; E317-K321 PolarHBondContact O-N 3.25Å; N318-K321 PolarHBondContact O-N 2.84Å; K321-G323 VanDerWaalsContact C-N 3.33Å; K321-S324 PolarHBondContact O-N 3.43Å
322	R	80.2	Confident	79.9	Confident	183 Å²	183	94.6 Å²	94.6	69%	0.691	47%	0.467	S	S	*	.	H	α-helix	trans	-64.2	-40.3	173.4	-70.5	179.6	176.3	117.6	-0.6	112	N318 T325 F326	N318-R322 WeakPolarHBondContact O-CB 3.35Å; N318-R322 WeakPolarHBondContact O-CG 3.19Å; N318-R322 PolarHBondContact O-N 3.47Å; R322-T325 PolarHBondContact O-N 3.37Å; R322-F326 PolarHBondContact O-N 3.44Å; R322-F326 VanDerWaalsContact O-N 3.08Å
323	G	77.9	Confident	79.4	Confident	19 Å²	19	95.9 Å²	95.9	20%	0.196	47%	0.468	C	S	.	.	H	α-helix	trans	-67.9	-31.9	179.2	0	0	0	0	0	111.9	M319 M320 K321 T325 F326 I327	M319-G323 WeakPolarHBondContact O-CA 3.34Å; M319-G323 PolarHBondContact O-N 3.48Å; M320-G323 CarbonylContact O-C 3.51Å; M320-G323 PolarHBondContact O-N 3.48Å; K321-G323 VanDerWaalsContact C-N 3.33Å; G323-T325 VanDerWaalsContact C-N 3.32Å; G323-T325 PolarHBondContact O-N 2.92Å; G323-F326 CarbonylContact O-C 3.59Å; G323-F326 PolarHBondContact O-N 3.43Å; G323-I327 WeakPolarHBondContact O-CA 3.26Å; G323-I327 WeakPolarHBondContact O-CB 3.44Å; G323-I327 WeakPolarHBondContact O-CD1 3.09Å; G323-I327 WeakPolarHBondContact O-CG1 3.44Å; G323-I327 PolarHBondContact O-N 3.31Å
324	S	79.2	Confident	79.1	Confident	57 Å²	57	98.8 Å²	98.8	40%	0.399	48%	0.475	S	S	.	.	H	α-helix	trans	-61.9	-42.5	173.9	179.8	0	0	0	0	111	M320 K321 I327 Q328	M320-S324 WeakPolarHBondContact O-CB 3.42Å; M320-S324 PolarHBondContact O-N 3.08Å; K321-S324 PolarHBondContact O-N 3.43Å; S324-I327 PolarHBondContact O-N 3.35Å; S324-Q328 WeakPolarHBondContact O-CB 3.18Å; S324-Q328 VanDerWaalsContact O-CG 3.26Å; S324-Q328 WeakPolarHBondContact O-CG 3.45Å; S324-Q328 PolarHBondContact O-N 3.28Å
325	T	73.9	Confident	78.9	Confident	81 Å²	81	100.8 Å²	100.8	50%	0.497	48%	0.482	S	S	.	.	H	α-helix	trans	-65.9	-42.5	173.5	-39.8	0	0	0	0	111.4	R322 G323 N329	R322-T325 PolarHBondContact O-N 3.37Å; G323-T325 VanDerWaalsContact C-N 3.32Å; G323-T325 PolarHBondContact O-N 2.92Å; T325-N329 VanDerWaalsContact O-CG 3.25Å; T325-N329 PolarHBondContact O-N 3.42Å; T325-N329 VanDerWaalsContact O-N 3.09Å; T325-N329 PolarHBondContact O-ND2 2.66Å
326	F	73.6	Confident	78.7	Confident	134 Å²	134	101.9 Å²	101.9	59%	0.588	48%	0.484	S	S	*	.	H	α-helix	trans	-67.3	-39.1	176	-175.2	-96.4	0	0	0	112.8	R322 G323 N329 F330	R322-F326 PolarHBondContact O-N 3.44Å; R322-F326 VanDerWaalsContact O-N 3.08Å; G323-F326 CarbonylContact O-C 3.59Å; G323-F326 PolarHBondContact O-N 3.43Å; F326-N329 CarbonylContact O-C 3.44Å; F326-N329 PolarHBondContact O-N 2.66Å; F326-F330 HydrophobicContact CD1-CB 4.22Å; F326-F330 HydrophobicContact CE1-CB 4.02Å; F326-F330 HydrophobicContact CE1-CD2 4.08Å; F326-F330 HydrophobicContact CE1-CG 4.23Å; F326-F330 HydrophobicContact CZ-CD2 4.24Å; F326-F330 WeakPolarHBondContact O-CA 3.11Å; F326-F330 WeakPolarHBondContact O-CB 3.45Å; F326-F330 PolarHBondContact O-N 2.72Å
327	I	70.2	Confident	78.6	Confident	94 Å²	94	103.1 Å²	103.1	48%	0.482	49%	0.486	S	S	.	.	H	α-helix	trans	-67.3	-40	177.8	-72.8	164.1	0	0	0	109.3	G323 S324 N329 F330 D331	G323-I327 WeakPolarHBondContact O-CA 3.26Å; G323-I327 WeakPolarHBondContact O-CB 3.44Å; G323-I327 WeakPolarHBondContact O-CD1 3.09Å; G323-I327 WeakPolarHBondContact O-CG1 3.44Å; G323-I327 PolarHBondContact O-N 3.31Å; S324-I327 PolarHBondContact O-N 3.35Å; I327-N329 VanDerWaalsContact C-N 3.35Å; I327-N329 PolarHBondContact O-N 3.33Å; I327-F330 CarbonylContact O-C 3.57Å; I327-F330 PolarHBondContact O-N 3.28Å; I327-D331 WeakPolarHBondContact O-CA 3.13Å; I327-D331 WeakPolarHBondContact O-CB 3.01Å; I327-D331 VanDerWaalsContact O-CG 3.23Å; I327-D331 PolarHBondContact O-N 3.09Å
328	Q	71.6	Confident	78.1	Confident	123 Å²	123	103.1 Å²	103.1	58%	0.575	49%	0.49	S	S	*	.	H	α-helix	trans	-62.6	-42.3	172.8	-75	173	-4.2	0	0	111.9	S324 S332	S324-Q328 WeakPolarHBondContact O-CB 3.18Å; S324-Q328 VanDerWaalsContact O-CG 3.26Å; S324-Q328 WeakPolarHBondContact O-CG 3.45Å; S324-Q328 PolarHBondContact O-N 3.28Å; Q328-S332 PolarHBondContact O-N 3.3Å; Q328-S332 VanDerWaalsContact O-N 3.1Å; Q328-S332 PolarHBondContact O-OG 2.64Å
329	N	77	Confident	77.8	Confident	98 Å²	98	106.2 Å²	106.2	52%	0.524	51%	0.507	S	S	.	.	H	α-helix	trans	-68.7	-37.4	174.8	-69	-22.3	0	0	0	112.3	T325 F326 I327 S332 K333	T325-N329 VanDerWaalsContact O-CG 3.25Å; T325-N329 PolarHBondContact O-N 3.42Å; T325-N329 VanDerWaalsContact O-N 3.09Å; T325-N329 PolarHBondContact O-ND2 2.66Å; F326-N329 CarbonylContact O-C 3.44Å; F326-N329 PolarHBondContact O-N 2.66Å; I327-N329 VanDerWaalsContact C-N 3.35Å; I327-N329 PolarHBondContact O-N 3.33Å; N329-S332 WeakPolarHBondContact CA-OG 3.45Å; N329-S332 PolarHBondContact O-OG 3.41Å; N329-K333 VanDerWaalsContact O-CB 3.25Å; N329-K333 WeakPolarHBondContact O-CB 3.35Å; N329-K333 PolarHBondContact O-N 3.25Å
330	F	77.3	Confident	77.8	Confident	109 Å²	109	104.6 Å²	104.6	48%	0.478	50%	0.498	S	S	.	.	H	α-helix	trans	-75.8	-36.1	179.9	-174.8	-96	0	0	0	110.9	F326 I327 K333 R334	F326-F330 HydrophobicContact CD1-CB 4.22Å; F326-F330 HydrophobicContact CE1-CB 4.02Å; F326-F330 HydrophobicContact CE1-CD2 4.08Å; F326-F330 HydrophobicContact CE1-CG 4.23Å; F326-F330 HydrophobicContact CZ-CD2 4.24Å; F326-F330 WeakPolarHBondContact O-CA 3.11Å; F326-F330 WeakPolarHBondContact O-CB 3.45Å; F326-F330 PolarHBondContact O-N 2.72Å; I327-F330 CarbonylContact O-C 3.57Å; I327-F330 PolarHBondContact O-N 3.28Å; F330-K333 CarbonylContact O-C 3.55Å; F330-K333 PolarHBondContact O-N 2.87Å; F330-R334 HydrophobicContact CD1-CB 4.46Å; F330-R334 HydrophobicContact CE1-CB 4.37Å; F330-R334 WeakPolarHBondContact O-CA 3.46Å; F330-R334 WeakPolarHBondContact O-CB 3.25Å; F330-R334 PolarHBondContact O-N 3.21Å
331	D	74.9	Confident	77.6	Confident	58 Å²	58	102.5 Å²	102.5	31%	0.31	49%	0.489	S	S	.	.	H	α-helix	trans	-68.4	-39.9	175.2	-82.2	-19.7	0	0	0	110.9	I327 R334 R335	I327-D331 WeakPolarHBondContact O-CA 3.13Å; I327-D331 WeakPolarHBondContact O-CB 3.01Å; I327-D331 VanDerWaalsContact O-CG 3.23Å; I327-D331 PolarHBondContact O-N 3.09Å; D331-R334 PolarHBondContact O-N 2.91Å; D331-R335 WeakPolarHBondContact O-CB 3.37Å; D331-R335 VanDerWaalsContact O-CG 3.3Å; D331-R335 WeakPolarHBondContact O-CG 3.34Å; D331-R335 PolarHBondContact O-N 3.31Å; D331-R335 PolarHBondContact O-NH1 3.45Å
332	S	77.9	Confident	77.5	Confident	54 Å²	54	100.9 Å²	100.9	38%	0.378	48%	0.484	S	S	.	.	H	α-helix	trans	-64.3	-44.8	171.7	45.1	0	0	0	0	111.6	Q328 N329 R335 E336	Q328-S332 PolarHBondContact O-N 3.3Å; Q328-S332 VanDerWaalsContact O-N 3.1Å; Q328-S332 PolarHBondContact O-OG 2.64Å; N329-S332 WeakPolarHBondContact CA-OG 3.45Å; N329-S332 PolarHBondContact O-OG 3.41Å; S332-R335 PolarHBondContact O-N 3Å; S332-E336 PolarHBondContact O-N 3.47Å
333	K	77.9	Confident	77.6	Confident	145 Å²	145	97.7 Å²	97.7	63%	0.63	48%	0.48	S	S	*	.	H	α-helix	trans	-69.2	-31.7	176.1	-160.4	172.8	-170.4	178.4	0	113.5	N329 F330 E336 F337	N329-K333 VanDerWaalsContact O-CB 3.25Å; N329-K333 WeakPolarHBondContact O-CB 3.35Å; N329-K333 PolarHBondContact O-N 3.25Å; F330-K333 CarbonylContact O-C 3.55Å; F330-K333 PolarHBondContact O-N 2.87Å; K333-E336 PolarHBondContact O-N 2.85Å; K333-F337 WeakPolarHBondContact O-CB 3.3Å; K333-F337 PolarHBondContact O-N 2.68Å
334	R	77.7	Confident	77.8	Confident	149 Å²	149	101.7 Å²	101.7	56%	0.562	50%	0.496	S	S	*	.	H	α-helix	trans	-69.7	-41.7	174.5	178.6	-173.8	175	-161.3	-0.6	109.7	F330 D331 F337 V338	F330-R334 HydrophobicContact CD1-CB 4.46Å; F330-R334 HydrophobicContact CE1-CB 4.37Å; F330-R334 WeakPolarHBondContact O-CA 3.46Å; F330-R334 WeakPolarHBondContact O-CB 3.25Å; F330-R334 PolarHBondContact O-N 3.21Å; D331-R334 PolarHBondContact O-N 2.91Å; R334-F337 PolarHBondContact O-N 3.48Å; R334-V338 HydrophobicContact CG-CG2 4.35Å; R334-V338 WeakPolarHBondContact O-CB 3.41Å; R334-V338 WeakPolarHBondContact O-CG2 3.2Å; R334-V338 PolarHBondContact O-N 3.39Å
335	R	78.4	Confident	77.8	Confident	151 Å²	151	101.6 Å²	101.6	57%	0.57	50%	0.495	S	S	*	.	H	α-helix	trans	-58.9	-48.8	171.6	-76.2	-172.7	-62.4	-90	4.6	110.5	D331 S332 F337 V338 D339	D331-R335 WeakPolarHBondContact O-CB 3.37Å; D331-R335 VanDerWaalsContact O-CG 3.3Å; D331-R335 WeakPolarHBondContact O-CG 3.34Å; D331-R335 PolarHBondContact O-N 3.31Å; D331-R335 PolarHBondContact O-NH1 3.45Å; S332-R335 PolarHBondContact O-N 3Å; R335-F337 VanDerWaalsContact C-N 3.32Å; R335-F337 PolarHBondContact O-N 3.48Å; R335-V338 PolarHBondContact O-N 3.1Å; R335-V338 VanDerWaalsContact O-N 3.15Å; R335-D339 PolarHBondContact O-N 2.64Å
336	E	82.3	Confident	78	Confident	106 Å²	106	101.6 Å²	101.6	50%	0.495	49%	0.489	S	S	.	.	H	α-helix	trans	-57.7	-42.7	175.1	-172.6	-171.8	173.8	0	0	112.7	S332 K333 D339 Q340	S332-E336 PolarHBondContact O-N 3.47Å; K333-E336 PolarHBondContact O-N 2.85Å; E336-D339 PolarHBondContact O-N 3.3Å; E336-Q340 WeakPolarHBondContact O-CG 3.29Å; E336-Q340 PolarHBondContact O-N 2.86Å
337	F	81	Confident	78.4	Confident	118 Å²	118	100.1 Å²	100.1	52%	0.518	49%	0.485	S	S	.	.	H	α-helix	trans	-69.5	-35.8	177.5	-177	-104	0	0	0	113	K333 R334 R335 Q340 L341	K333-F337 WeakPolarHBondContact O-CB 3.3Å; K333-F337 PolarHBondContact O-N 2.68Å; R334-F337 PolarHBondContact O-N 3.48Å; R335-F337 VanDerWaalsContact C-N 3.32Å; R335-F337 PolarHBondContact O-N 3.48Å; F337-Q340 PolarHBondContact O-N 3.36Å; F337-L341 HydrophobicContact CD1-CD1 3.77Å; F337-L341 HydrophobicContact CD1-CG 4.19Å; F337-L341 HydrophobicContact CE1-CD1 3.28Å; F337-L341 HydrophobicContact CE1-CD2 4.46Å; F337-L341 HydrophobicContact CE1-CG 3.77Å; F337-L341 HydrophobicContact CZ-CD1 3.89Å; F337-L341 HydrophobicContact CZ-CD2 4.26Å; F337-L341 HydrophobicContact CZ-CG 3.94Å; F337-L341 WeakPolarHBondContact O-CB 3.35Å; F337-L341 WeakPolarHBondContact O-CG 3.48Å; F337-L341 PolarHBondContact O-N 2.9Å
338	V	76.5	Confident	78.9	Confident	70 Å²	70	100 Å²	100	42%	0.424	49%	0.488	S	S	.	.	H	α-helix	trans	-64.2	-43.4	173.7	167.2	0	0	0	0	110	R334 R335 Q340 L341 E342	R334-V338 HydrophobicContact CG-CG2 4.35Å; R334-V338 WeakPolarHBondContact O-CB 3.41Å; R334-V338 WeakPolarHBondContact O-CG2 3.2Å; R334-V338 PolarHBondContact O-N 3.39Å; R335-V338 PolarHBondContact O-N 3.1Å; R335-V338 VanDerWaalsContact O-N 3.15Å; V338-Q340 VanDerWaalsContact C-N 3.34Å; V338-Q340 PolarHBondContact O-N 3.5Å; V338-L341 PolarHBondContact O-N 3Å; V338-E342 PolarHBondContact O-N 3.33Å
339	D	79.1	Confident	79.2	Confident	94 Å²	94	97.8 Å²	97.8	50%	0.503	48%	0.482	S	S	.	.	H	α-helix	trans	-61.4	-43.5	175.7	-59.3	-22.9	0	0	0	110.8	R335 E336 L341 E342 D343	R335-D339 PolarHBondContact O-N 2.64Å; E336-D339 PolarHBondContact O-N 3.3Å; D339-L341 PolarHBondContact O-N 3.42Å; D339-E342 WeakPolarHBondContact O-CB 3.38Å; D339-E342 PolarHBondContact O-N 3.03Å; D339-D343 PolarHBondContact O-N 3.5Å; D339-D343 VanDerWaalsContact O-N 3.08Å
340	Q	83.5	Confident	79.2	Confident	91 Å²	91	99.9 Å²	99.9	43%	0.425	48%	0.483	S	S	.	.	H	α-helix	trans	-64.3	-38.9	174.7	-72.6	174.9	19.2	0	0	112.8	E336 F337 V338 E342 D343 I344	E336-Q340 WeakPolarHBondContact O-CG 3.29Å; E336-Q340 PolarHBondContact O-N 2.86Å; F337-Q340 PolarHBondContact O-N 3.36Å; V338-Q340 VanDerWaalsContact C-N 3.34Å; V338-Q340 PolarHBondContact O-N 3.5Å; Q340-E342 VanDerWaalsContact C-N 3.32Å; Q340-D343 PolarHBondContact O-N 3.2Å; Q340-I344 VanDerWaalsContact O-CG1 3.29Å; Q340-I344 WeakPolarHBondContact O-CG1 3.49Å; Q340-I344 PolarHBondContact O-N 3.44Å
341	L	76	Confident	79.2	Confident	81 Å²	81	97.1 Å²	97.1	42%	0.424	48%	0.478	S	S	.	.	H	α-helix	trans	-66.5	-35.6	175.3	-85.8	179.1	0	0	0	111.8	F337 V338 D339 I344 S345	F337-L341 HydrophobicContact CD1-CD1 3.77Å; F337-L341 HydrophobicContact CD1-CG 4.19Å; F337-L341 HydrophobicContact CE1-CD1 3.28Å; F337-L341 HydrophobicContact CE1-CD2 4.46Å; F337-L341 HydrophobicContact CE1-CG 3.77Å; F337-L341 HydrophobicContact CZ-CD1 3.89Å; F337-L341 HydrophobicContact CZ-CD2 4.26Å; F337-L341 HydrophobicContact CZ-CG 3.94Å; F337-L341 WeakPolarHBondContact O-CB 3.35Å; F337-L341 WeakPolarHBondContact O-CG 3.48Å; F337-L341 PolarHBondContact O-N 2.9Å; V338-L341 PolarHBondContact O-N 3Å; D339-L341 PolarHBondContact O-N 3.42Å; L341-I344 PolarHBondContact O-N 2.92Å; L341-S345 VanDerWaalsContact O-CB 3.22Å; L341-S345 WeakPolarHBondContact O-CB 3.22Å; L341-S345 PolarHBondContact O-N 3.15Å
342	E	80.6	Confident	79.3	Confident	104 Å²	104	100.1 Å²	100.1	49%	0.486	49%	0.488	S	S	.	.	H	α-helix	trans	-62.5	-45.6	174.2	-173.4	171.8	-178.1	0	0	110.5	V338 D339 Q340 I344 S345 H346	V338-E342 PolarHBondContact O-N 3.33Å; D339-E342 WeakPolarHBondContact O-CB 3.38Å; D339-E342 PolarHBondContact O-N 3.03Å; Q340-E342 VanDerWaalsContact C-N 3.32Å; E342-I344 PolarHBondContact O-N 3.43Å; E342-S345 WeakPolarHBondContact CA-OG 3.46Å; E342-S345 WeakPolarHBondContact O-CB 3.49Å; E342-S345 PolarHBondContact O-N 3.45Å; E342-S345 VanDerWaalsContact O-N 3.17Å; E342-S345 PolarHBondContact O-OG 2.85Å; E342-H346 PolarHBondContact O-CD2 3.41Å; E342-H346 VanDerWaalsContact O-CD2 3.26Å; E342-H346 PolarHBondContact O-N 3.2Å; E342-H346 IonicContact OE1-NE2 2.98Å
343	D	83.5	Confident	79.1	Confident	116 Å²	116	102.9 Å²	102.9	62%	0.62	50%	0.496	S	S	*	.	H	α-helix	trans	-61.4	-44.7	175.3	-79.3	-22.2	0	0	0	112.8	D339 Q340 S345 H346 E347	D339-D343 PolarHBondContact O-N 3.5Å; D339-D343 VanDerWaalsContact O-N 3.08Å; Q340-D343 PolarHBondContact O-N 3.2Å; D343-S345 VanDerWaalsContact C-N 3.31Å; D343-S345 PolarHBondContact O-N 3.32Å; D343-H346 PolarHBondContact O-N 2.98Å; D343-E347 PolarHBondContact O-N 2.8Å
344	I	81.5	Confident	78.7	Confident	102 Å²	102	105 Å²	105	52%	0.523	50%	0.5	S	S	.	.	H	α-helix	trans	-62.7	-42.9	174.8	-68.5	166.9	0	0	0	109.8	Q340 L341 E342 H346 E347 V348	Q340-I344 VanDerWaalsContact O-CG1 3.29Å; Q340-I344 WeakPolarHBondContact O-CG1 3.49Å; Q340-I344 PolarHBondContact O-N 3.44Å; L341-I344 PolarHBondContact O-N 2.92Å; E342-I344 PolarHBondContact O-N 3.43Å; I344-H346 VanDerWaalsContact C-N 3.3Å; I344-H346 PolarHBondContact O-N 3.4Å; I344-E347 PolarHBondContact O-N 3.26Å; I344-V348 HydrophobicContact CG2-CG2 4.2Å; I344-V348 WeakPolarHBondContact O-CB 3.29Å; I344-V348 VanDerWaalsContact O-CG2 3.28Å; I344-V348 WeakPolarHBondContact O-CG2 3.28Å; I344-V348 PolarHBondContact O-N 3.46Å
345	S	79.3	Confident	78.5	Confident	56 Å²	56	101.4 Å²	101.4	39%	0.392	49%	0.491	S	S	.	.	H	α-helix	trans	-62.3	-40.3	178.1	82.4	0	0	0	0	111	L341 E342 D343 V348 V349	L341-S345 VanDerWaalsContact O-CB 3.22Å; L341-S345 WeakPolarHBondContact O-CB 3.22Å; L341-S345 PolarHBondContact O-N 3.15Å; E342-S345 WeakPolarHBondContact CA-OG 3.46Å; E342-S345 WeakPolarHBondContact O-CB 3.49Å; E342-S345 PolarHBondContact O-N 3.45Å; E342-S345 VanDerWaalsContact O-N 3.17Å; E342-S345 PolarHBondContact O-OG 2.85Å; D343-S345 VanDerWaalsContact C-N 3.31Å; D343-S345 PolarHBondContact O-N 3.32Å; S345-V348 PolarHBondContact O-N 2.78Å; S345-V349 VanDerWaalsContact O-CB 3.28Å; S345-V349 WeakPolarHBondContact O-CB 3.28Å; S345-V349 WeakPolarHBondContact O-CG2 3.45Å; S345-V349 PolarHBondContact O-N 3.48Å
346	H	79.2	Confident	78	Confident	80 Å²	80	99.8 Å²	99.8	37%	0.37	49%	0.489	S	S	.	.	H	α-helix	trans	-66	-39.2	175.7	-81	-54.7	0	0	0	112.4	E342 D343 I344 V349 R350	E342-H346 PolarHBondContact O-CD2 3.41Å; E342-H346 VanDerWaalsContact O-CD2 3.26Å; E342-H346 PolarHBondContact O-N 3.2Å; E342-H346 IonicContact OE1-NE2 2.98Å; D343-H346 PolarHBondContact O-N 2.98Å; I344-H346 VanDerWaalsContact C-N 3.3Å; I344-H346 PolarHBondContact O-N 3.4Å; H346-V349 PolarHBondContact O-N 3.47Å; H346-R350 WeakPolarHBondContact O-CB 3.14Å; H346-R350 VanDerWaalsContact O-CG 3.29Å; H346-R350 WeakPolarHBondContact O-CG 3.28Å; H346-R350 PolarHBondContact O-N 3.08Å
347	E	81.6	Confident	77.2	Confident	104 Å²	104	95.8 Å²	95.8	49%	0.486	48%	0.476	S	S	.	.	H	α-helix	trans	-69.7	-41.7	176.1	-176.8	54.4	-152.2	0	0	112	D343 I344 V349 R350 S351	D343-E347 PolarHBondContact O-N 2.8Å; I344-E347 PolarHBondContact O-N 3.26Å; E347-V349 VanDerWaalsContact C-N 3.33Å; E347-V349 PolarHBondContact O-N 2.88Å; E347-R350 PolarHBondContact O-N 3.29Å; E347-S351 VanDerWaalsContact O-CB 3.28Å; E347-S351 WeakPolarHBondContact O-CB 3.17Å; E347-S351 PolarHBondContact O-N 2.84Å
348	V	80	Confident	76.4	Confident	91 Å²	91	95.7 Å²	95.7	55%	0.552	49%	0.49	S	S	*	.	H	α-helix	trans	-61.4	-44	173.7	171.2	0	0	0	0	110.3	I344 S345 S351 F352	I344-V348 HydrophobicContact CG2-CG2 4.2Å; I344-V348 WeakPolarHBondContact O-CB 3.29Å; I344-V348 VanDerWaalsContact O-CG2 3.28Å; I344-V348 WeakPolarHBondContact O-CG2 3.28Å; I344-V348 PolarHBondContact O-N 3.46Å; S345-V348 PolarHBondContact O-N 2.78Å; V348-S351 PolarHBondContact O-N 3.43Å; V348-F352 WeakPolarHBondContact O-CB 3.4Å; V348-F352 PolarHBondContact O-N 3.48Å
349	V	78.9	Confident	75.2	Confident	76 Å²	76	99.2 Å²	99.2	46%	0.461	51%	0.507	S	S	.	.	H	α-helix	trans	-64.2	-41.3	176	169.2	0	0	0	0	111.1	S345 H346 E347 F352 M353	S345-V349 VanDerWaalsContact O-CB 3.28Å; S345-V349 WeakPolarHBondContact O-CB 3.28Å; S345-V349 WeakPolarHBondContact O-CG2 3.45Å; S345-V349 PolarHBondContact O-N 3.48Å; H346-V349 PolarHBondContact O-N 3.47Å; E347-V349 VanDerWaalsContact C-N 3.33Å; E347-V349 PolarHBondContact O-N 2.88Å; V349-F352 PolarHBondContact O-N 3.17Å; V349-M353 HydrophobicContact CG1-CG 4.47Å; V349-M353 WeakPolarHBondContact O-CB 3.49Å; V349-M353 WeakPolarHBondContact O-CG 3.38Å; V349-M353 PolarHBondContact O-N 3.26Å
350	R	75.3	Confident	74.1	Confident	142 Å²	142	95.8 Å²	95.8	54%	0.536	49%	0.494	S	S	.	.	H	α-helix	trans	-64.9	-42.8	174.9	-78.2	-176.8	-166.6	106.1	4.8	112.3	H346 E347 M353 R354	H346-R350 WeakPolarHBondContact O-CB 3.14Å; H346-R350 VanDerWaalsContact O-CG 3.29Å; H346-R350 WeakPolarHBondContact O-CG 3.28Å; H346-R350 PolarHBondContact O-N 3.08Å; E347-R350 PolarHBondContact O-N 3.29Å; R350-M353 PolarHBondContact O-N 2.95Å; R350-R354 WeakPolarHBondContact O-CB 3.43Å; R350-R354 PolarHBondContact O-N 3.44Å
351	S	77.4	Confident	72.7	Confident	52 Å²	52	99.2 Å²	99.2	36%	0.364	51%	0.509	S	S	.	.	H	α-helix	trans	-65.5	-43.1	177.7	-163.5	0	0	0	0	110.5	E347 V348 R354 I355	E347-S351 VanDerWaalsContact O-CB 3.28Å; E347-S351 WeakPolarHBondContact O-CB 3.17Å; E347-S351 PolarHBondContact O-N 2.84Å; V348-S351 PolarHBondContact O-N 3.43Å; S351-R354 WeakPolarHBondContact O-CB 3.41Å; S351-R354 PolarHBondContact O-N 2.85Å; S351-I355 WeakPolarHBondContact O-CB 3.48Å; S351-I355 VanDerWaalsContact O-CG1 3.27Å; S351-I355 WeakPolarHBondContact O-CG1 3.4Å; S351-I355 PolarHBondContact O-N 3.49Å
352	F	77.8	Confident	71.4	Confident	120 Å²	120	97 Å²	97	53%	0.526	50%	0.497	S	S	.	.	H	α-helix	trans	-60.7	-46.9	172	-177.7	-91.3	0	0	0	111.6	V348 V349 R354 I355 F356	V348-F352 WeakPolarHBondContact O-CB 3.4Å; V348-F352 PolarHBondContact O-N 3.48Å; V349-F352 PolarHBondContact O-N 3.17Å; F352-R354 VanDerWaalsContact C-N 3.3Å; F352-R354 PolarHBondContact O-N 3.23Å; F352-I355 PolarHBondContact O-N 3.25Å; F352-I355 VanDerWaalsContact O-N 3.14Å; F352-F356 HydrophobicContact CD1-CB 4.44Å; F352-F356 HydrophobicContact CD1-CD2 4.3Å; F352-F356 AromaticContact CD2-CD2 3.37Å; F352-F356 HydrophobicContact CD2-CD2 3.37Å; F352-F356 AromaticContact CD2-CE2 3.65Å; F352-F356 HydrophobicContact CD2-CE2 3.65Å; F352-F356 HydrophobicContact CD2-CG 4.37Å; F352-F356 HydrophobicContact CE1-CB 4.07Å; F352-F356 HydrophobicContact CE1-CD2 4.22Å; F352-F356 HydrophobicContact CE1-CG 4.37Å; F352-F356 AromaticContact CE2-CD2 3.27Å; F352-F356 HydrophobicContact CE2-CD2 3.27Å; F352-F356 AromaticContact CE2-CE2 3.5Å; F352-F356 HydrophobicContact CE2-CE2 3.5Å; F352-F356 VanDerWaalsContact CE2-CE2 3.5Å; F352-F356 AromaticContact CE2-CG 3.95Å; F352-F356 HydrophobicContact CE2-CG 3.95Å; F352-F356 HydrophobicContact CE2-CZ 4.31Å; F352-F356 AromaticContact CG-CD2 3.91Å; F352-F356 HydrophobicContact CG-CD2 3.91Å; F352-F356 HydrophobicContact CZ-CB 4.11Å; F352-F356 AromaticContact CZ-CD2 3.73Å; F352-F356 HydrophobicContact CZ-CD2 3.73Å; F352-F356 HydrophobicContact CZ-CE2 4.31Å; F352-F356 AromaticContact CZ-CG 3.95Å; F352-F356 HydrophobicContact CZ-CG 3.95Å; F352-F356 WeakPolarHBondContact O-CB 3.27Å; F352-F356 WeakPolarHBondContact O-CD2 3.38Å; F352-F356 PolarHBondContact O-N 2.68Å
353	M	74.6	Confident	70	Confident	113 Å²	113	101.7 Å²	101.7	56%	0.557	51%	0.511	S	S	*	.	H	α-helix	trans	-64.3	-31.5	174.6	-75.4	-152.6	-61.9	0	0	112.7	V349 R350 I355 G357	V349-M353 HydrophobicContact CG1-CG 4.47Å; V349-M353 WeakPolarHBondContact O-CB 3.49Å; V349-M353 WeakPolarHBondContact O-CG 3.38Å; V349-M353 PolarHBondContact O-N 3.26Å; R350-M353 PolarHBondContact O-N 2.95Å; M353-I355 VanDerWaalsContact C-N 3.31Å; M353-G357 WeakPolarHBondContact O-CA 3.33Å; M353-G357 PolarHBondContact O-N 2.83Å
354	R	69.6	Low	68.5	Low	189 Å²	189	102.5 Å²	102.5	71%	0.713	51%	0.51	S	S	*	.	H	α-helix	trans	-68.4	-34.5	173.6	-169.4	-176.6	-71.5	179.1	-0.1	111.7	R350 S351 F352	R350-R354 WeakPolarHBondContact O-CB 3.43Å; R350-R354 PolarHBondContact O-N 3.44Å; S351-R354 WeakPolarHBondContact O-CB 3.41Å; S351-R354 PolarHBondContact O-N 2.85Å; F352-R354 VanDerWaalsContact C-N 3.3Å; F352-R354 PolarHBondContact O-N 3.23Å
355	I	71.5	Confident	67.1	Low	73 Å²	73	103 Å²	103	37%	0.374	51%	0.506	S	S	.	.	H	α-helix	trans	-81.6	-39.8	-178.9	-68.7	167.8	0	0	0	111.4	S351 F352 M353 L362	S351-I355 WeakPolarHBondContact O-CB 3.48Å; S351-I355 VanDerWaalsContact O-CG1 3.27Å; S351-I355 WeakPolarHBondContact O-CG1 3.4Å; S351-I355 PolarHBondContact O-N 3.49Å; F352-I355 PolarHBondContact O-N 3.25Å; F352-I355 VanDerWaalsContact O-N 3.14Å; M353-I355 VanDerWaalsContact C-N 3.31Å; I355-L362 HydrophobicContact CG2-CD1 3.27Å; I355-L362 HydrophobicContact CG2-CG 3.84Å; I355-L362 WeakPolarHBondContact O-CB 3.02Å; I355-L362 WeakPolarHBondContact O-CD1 3.45Å; I355-L362 WeakPolarHBondContact O-CG 3.48Å
356	F	69.8	Low	65.7	Low	117 Å²	117	109 Å²	109	51%	0.513	52%	0.52	S	S	.	.	H	α-helix	trans	-120.3	-14	-169.9	-64.9	-82.8	0	0	0	115.6	F352 L362	F352-F356 HydrophobicContact CD1-CB 4.44Å; F352-F356 HydrophobicContact CD1-CD2 4.3Å; F352-F356 AromaticContact CD2-CD2 3.37Å; F352-F356 HydrophobicContact CD2-CD2 3.37Å; F352-F356 AromaticContact CD2-CE2 3.65Å; F352-F356 HydrophobicContact CD2-CE2 3.65Å; F352-F356 HydrophobicContact CD2-CG 4.37Å; F352-F356 HydrophobicContact CE1-CB 4.07Å; F352-F356 HydrophobicContact CE1-CD2 4.22Å; F352-F356 HydrophobicContact CE1-CG 4.37Å; F352-F356 AromaticContact CE2-CD2 3.27Å; F352-F356 HydrophobicContact CE2-CD2 3.27Å; F352-F356 AromaticContact CE2-CE2 3.5Å; F352-F356 HydrophobicContact CE2-CE2 3.5Å; F352-F356 VanDerWaalsContact CE2-CE2 3.5Å; F352-F356 AromaticContact CE2-CG 3.95Å; F352-F356 HydrophobicContact CE2-CG 3.95Å; F352-F356 HydrophobicContact CE2-CZ 4.31Å; F352-F356 AromaticContact CG-CD2 3.91Å; F352-F356 HydrophobicContact CG-CD2 3.91Å; F352-F356 HydrophobicContact CZ-CB 4.11Å; F352-F356 AromaticContact CZ-CD2 3.73Å; F352-F356 HydrophobicContact CZ-CD2 3.73Å; F352-F356 HydrophobicContact CZ-CE2 4.31Å; F352-F356 AromaticContact CZ-CG 3.95Å; F352-F356 HydrophobicContact CZ-CG 3.95Å; F352-F356 WeakPolarHBondContact O-CB 3.27Å; F352-F356 WeakPolarHBondContact O-CD2 3.38Å; F352-F356 PolarHBondContact O-N 2.68Å; F356-L362 HydrophobicContact CD1-CD1 3.45Å; F356-L362 VanDerWaalsContact CD1-CD1 3.45Å; F356-L362 HydrophobicContact CD2-CD1 4.36Å; F356-L362 HydrophobicContact CE1-CD1 3.14Å; F356-L362 HydrophobicContact CE2-CD1 4.11Å; F356-L362 HydrophobicContact CG-CD1 4.06Å; F356-L362 HydrophobicContact CZ-CD1 3.5Å
357	G	63.9	Low	64.5	Low	23 Å²	23	109.2 Å²	109.2	24%	0.237	53%	0.531	C	S	.	.	S	Bend	trans	-74.1	-179.4	179.6	0	0	0	0	0	113	M353 D359 G360	M353-G357 WeakPolarHBondContact O-CA 3.33Å; M353-G357 PolarHBondContact O-N 2.83Å; G357-D359 PolarHBondContact O-N 3.5Å; G357-G360 WeakPolarHBondContact O-CA 3.44Å; G357-G360 PolarHBondContact O-N 2.85Å
358	S	64	Low	63	Low	116 Å²	116	107.7 Å²	107.7	81%	0.811	53%	0.532	S	S	*	.	S	Bend	trans	-51.4	-28.3	-169.2	52.4	0	0	0	0	114.7	G360	S358-G360 PolarHBondContact O-N 3.25Å; S358-G360 VanDerWaalsContact O-N 3.14Å
359	D	52.3	Low	61.2	Low	144 Å²	144	111.9 Å²	111.9	77%	0.77	54%	0.538	S	S	*	.	S	Bend	trans	-92.8	53.9	-179.1	-56.2	-15.6	0	0	0	110.5	G357 H361	G357-D359 PolarHBondContact O-N 3.5Å; D359-H361 PolarHBondContact O-N 2.79Å
360	G	55.9	Low	59.2	Low	22 Å²	22	119.6 Å²	119.6	23%	0.227	56%	0.559	C	S	.	*			trans	-71.5	105.3	-157.5	0	0	0	0	0	116.7	G357 S358 L362 R363	G357-G360 WeakPolarHBondContact O-CA 3.44Å; G357-G360 PolarHBondContact O-N 2.85Å; S358-G360 PolarHBondContact O-N 3.25Å; S358-G360 VanDerWaalsContact O-N 3.14Å; G360-L362 VanDerWaalsContact C-N 3.29Å; G360-R363 PolarHBondContact O-N 3.47Å
361	H	53.7	Low	57.3	Low	162 Å²	162	118.5 Å²	118.5	75%	0.75	57%	0.571	S	S	*	*	H	α-helix	trans	-64.4	-33.1	163.3	-128.9	-76.3	0	0	0	112.1	D359 W365	D359-H361 PolarHBondContact O-N 2.79Å; H361-W365 PolarHBondContact O-N 2.78Å
362	L	50.1	Low	55.1	Low	34 Å²	34	125.9 Å²	125.9	18%	0.178	60%	0.597	C	S	.	*	H	α-helix	trans	-77	-27.4	175.8	-81.7	176	0	0	0	113.6	I355 F356 G360 H364 W365 W366	I355-L362 HydrophobicContact CG2-CD1 3.27Å; I355-L362 HydrophobicContact CG2-CG 3.84Å; I355-L362 WeakPolarHBondContact O-CB 3.02Å; I355-L362 WeakPolarHBondContact O-CD1 3.45Å; I355-L362 WeakPolarHBondContact O-CG 3.48Å; F356-L362 HydrophobicContact CD1-CD1 3.45Å; F356-L362 VanDerWaalsContact CD1-CD1 3.45Å; F356-L362 HydrophobicContact CD2-CD1 4.36Å; F356-L362 HydrophobicContact CE1-CD1 3.14Å; F356-L362 HydrophobicContact CE2-CD1 4.11Å; F356-L362 HydrophobicContact CG-CD1 4.06Å; F356-L362 HydrophobicContact CZ-CD1 3.5Å; G360-L362 VanDerWaalsContact C-N 3.29Å; L362-H364 PolarHBondContact O-N 3.2Å; L362-W365 HydrophobicContact CD2-CB 4.12Å; L362-W365 HydrophobicContact CD2-CD2 4.18Å; L362-W365 HydrophobicContact CD2-CE3 3.68Å; L362-W365 HydrophobicContact CD2-CG 4.39Å; L362-W365 HydrophobicContact CD2-CZ3 4.41Å; L362-W365 PolarHBondContact O-N 3.36Å; L362-W366 PolarHBondContact O-N 3.38Å
363	R	50.4	Low	53	Low	204 Å²	204	131.6 Å²	131.6	77%	0.77	62%	0.615	S	S	*	*	H	α-helix	trans	-58.5	-34.8	173.9	-71.9	-171.1	100.7	-140.6	7.4	110.8	G360 S367	G360-R363 PolarHBondContact O-N 3.47Å; R363-S367 WeakPolarHBondContact O-CB 3.44Å; R363-S367 PolarHBondContact O-N 3.05Å; R363-S367 PolarHBondContact O-OG 3.4Å
364	H	51.5	Low	51.4	Low	132 Å²	132	131.7 Å²	131.7	61%	0.611	62%	0.624	S	S	*	*	H	α-helix	trans	-67.7	-43.7	172.6	-172.5	-80.4	0	0	0	112.2	L362 S367 S368	L362-H364 PolarHBondContact O-N 3.2Å; H364-S367 PolarHBondContact O-N 2.81Å; H364-S367 PolarHBondContact O-OG 3.39Å; H364-S368 PolarHBondContact O-N 3.47Å; H364-S368 PolarHBondContact O-OG 2.99Å; H364-S368 VanDerWaalsContact O-OG 3.1Å
365	W	52.5	Low	49.7	Very low	112 Å²	112	130.5 Å²	130.5	42%	0.424	63%	0.63	S	S	.	*	H	α-helix	trans	-65.4	-40.8	-178.7	-173.2	73.7	0	0	0	113.8	H361 L362	H361-W365 PolarHBondContact O-N 2.78Å; L362-W365 HydrophobicContact CD2-CB 4.12Å; L362-W365 HydrophobicContact CD2-CD2 4.18Å; L362-W365 HydrophobicContact CD2-CE3 3.68Å; L362-W365 HydrophobicContact CD2-CG 4.39Å; L362-W365 HydrophobicContact CD2-CZ3 4.41Å; L362-W365 PolarHBondContact O-N 3.36Å
366	W	50	Low	47.8	Very low	182 Å²	182	132.1 Å²	132.1	69%	0.689	65%	0.648	S	S	*	*	H	α-helix	trans	-76.9	-24.8	179.6	-67.1	104.8	0	0	0	113.6	L362	L362-W366 PolarHBondContact O-N 3.38Å
367	S	53.3	Low	46	Very low	86 Å²	86	132.2 Å²	132.2	60%	0.601	66%	0.663	S	S	*	*	H	α-helix	trans	-82	-26.6	178.3	46.6	0	0	0	0	113.3	R363 H364	R363-S367 WeakPolarHBondContact O-CB 3.44Å; R363-S367 PolarHBondContact O-N 3.05Å; R363-S367 PolarHBondContact O-OG 3.4Å; H364-S367 PolarHBondContact O-N 2.81Å; H364-S367 PolarHBondContact O-OG 3.39Å
368	S	51.5	Low	44.6	Very low	72 Å²	72	139 Å²	139	50%	0.503	69%	0.693	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.5	-12.9	179.3	-53.7	0	0	0	0	115.4	H364	H364-S368 PolarHBondContact O-N 3.47Å; H364-S368 PolarHBondContact O-OG 2.99Å; H364-S368 VanDerWaalsContact O-OG 3.1Å
369	R	41.1	Very low	43.1	Very low	179 Å²	179	141 Å²	141	68%	0.675	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	21.6	-174.6	-72.1	-168.6	-178.2	-150	-0.5	115.7	C371	R369-C371 PolarHBondContact O-N 2.78Å
370	R	38	Very low	42.1	Very low	238 Å²	238	139.4 Å²	139.4	90%	0.898	69%	0.694	S	S	*	*			trans	-85.6	49.7	161.3	-157.7	-174.7	-76	177.8	-3.3	111.1
371	C	34.8	Very low	40.9	Very low	118 Å²	118	142.7 Å²	142.7	80%	0.797	71%	0.71	S	S	*	*	S	Bend	trans	-140.6	131.3	168.4	-80.9	0	0	0	0	110.2	R369	R369-C371 PolarHBondContact O-N 2.78Å
372	K	31.1	Very low	39.9	Very low	208 Å²	208	144.7 Å²	144.7	90%	0.904	72%	0.717	S	S	*	*			trans	-75	148.1	-165.9	-61.3	170	175.1	174.9	0	112.8
373	R	34	Very low	38.8	Very low	240 Å²	240	153.6 Å²	153.6	91%	0.906	75%	0.75	S	S	*	*			trans	106.9	150.1	153	-68.3	-169.2	148.7	141.4	-3.5	119
374	P	40.1	Very low	37.8	Very low	115 Å²	115	149.9 Å²	149.9	75%	0.747	75%	0.75	S	S	*	*			trans	-100.9	151.3	-138.6	37.1	-32.4	0	0	0	116.2	S376	P374-S376 PolarHBondContact O-N 3.14Å
375	I	33.5	Very low	36.7	Very low	164 Å²	164	149.5 Å²	149.5	84%	0.841	76%	0.759	S	S	*	*			trans	-35.8	109	173.4	-55.7	166.4	0	0	0	114.2
376	S	31.9	Very low	35.5	Very low	107 Å²	107	153.1 Å²	153.1	75%	0.748	78%	0.781	S	S	*	*			trans	-148.8	105.3	144	55.5	0	0	0	0	109.2	P374	P374-S376 PolarHBondContact O-N 3.14Å
377	S	32.8	Very low	34.6	Very low	118 Å²	118	151.3 Å²	151.3	83%	0.825	79%	0.79	S	S	*	*			trans	148.5	90.6	158.6	51.9	0	0	0	0	109.4
378	L	34.6	Very low	33.5	Very low	167 Å²	167	152.4 Å²	152.4	87%	0.874	80%	0.798	S	S	*	*			trans	-74	131.5	153	-79.2	143.3	0	0	0	107.1
379	N	32.6	Very low	32.7	Very low	156 Å²	156	154.6 Å²	154.6	83%	0.834	81%	0.81	S	S	*	*			trans	-156	113.5	153.1	-121.3	8	0	0	0	112.1
380	S	31.2	Very low	31.9	Very low	111 Å²	111	152.7 Å²	152.7	78%	0.776	82%	0.819	S	S	*	*			trans	59.4	128.3	162.7	80.4	0	0	0	0	116.4
381	T	29.5	Very low	31.4	Very low	92 Å²	92	147.2 Å²	147.2	56%	0.564	82%	0.815	S	S	*	*			cis	-166.7	101.3	39.9	-58.7	0	0	0	0	107.1	Y383	T381-Y383 HydrophobicContact CG2-CD2 4.25Å; T381-Y383 HydrophobicContact CG2-CE2 4.32Å
382	F	33.2	Very low	31.2	Very low	204 Å²	204	147 Å²	147	90%	0.895	82%	0.816	S	S	*	*			trans	-143.5	93.4	159.2	-79.8	-75.1	0	0	0	107	T384	F382-T384 PolarHBondContact O-N 2.77Å
383	Y	28	Very low	31.1	Very low	221 Å²	221	142.2 Å²	142.2	87%	0.867	81%	0.814	S	S	*	*			trans	-72.7	103.6	168.8	-72.4	-86.6	0	0	0	107.8	T381	T381-Y383 HydrophobicContact CG2-CD2 4.25Å; T381-Y383 HydrophobicContact CG2-CE2 4.32Å
384	T	29.3	Very low	31.1	Very low	125 Å²	125	135.8 Å²	135.8	77%	0.767	81%	0.806	S	S	*	*			trans	-120.1	121	159.1	48.6	0	0	0	0	107.7	F382	F382-T384 PolarHBondContact O-N 2.77Å
385	P	28.7	Very low	30.5	Very low	124 Å²	124	138.7 Å²	138.7	81%	0.805	81%	0.81	S	S	*	*			trans	-88.7	115.5	-176.4	32.3	-29	0	0	0	110.3
386	Q	27.3	Very low	30.6	Very low	189 Å²	189	137.9 Å²	137.9	88%	0.883	81%	0.807	S	S	*	*			trans	-153.9	108.4	159.2	-71.4	-163.9	-10.6	0	0	109.2
387	T	29.8	Very low	30.7	Very low	144 Å²	144	139.3 Å²	139.3	88%	0.883	81%	0.807	S	S	*	*			trans	-149.6	109	135.6	43.8	0	0	0	0	108.4
388	S	30.5	Very low	30.6	Very low	109 Å²	109	140.6 Å²	140.6	76%	0.762	80%	0.804	S	S	*	*			trans	-61.1	153.1	161.6	-51.9	0	0	0	0	110.1
389	P	33.9	Very low	30.5	Very low	118 Å²	118	140 Å²	140	77%	0.766	80%	0.802	S	S	*	*			trans	-75.5	131.6	-169.4	-8.3	25.4	0	0	0	111.9	C391	P389-C391 PolarHBondContact O-N 3.48Å
390	T	25.5	Very low	30.9	Very low	139 Å²	139	141 Å²	141	85%	0.853	81%	0.807	S	S	*	*			trans	-76.4	108.6	164	-23.7	0	0	0	0	107.6
391	C	27.1	Very low	31	Very low	122 Å²	122	142 Å²	142	82%	0.824	80%	0.804	S	S	*	*			trans	-90.8	114.7	169.5	-68.6	0	0	0	0	108.8	P389	P389-C391 PolarHBondContact O-N 3.48Å
392	S	31.2	Very low	31.1	Very low	115 Å²	115	143.8 Å²	143.8	80%	0.804	81%	0.81	S	S	*	*			trans	-61.7	148	174	-32.7	0	0	0	0	111.7
393	A	28.4	Very low	30.9	Very low	106 Å²	106	138.8 Å²	138.8	88%	0.876	80%	0.801	S	S	*	*			trans	-69.8	139.8	170.8	0	0	0	0	0	112.7
394	S	33.9	Very low	31.3	Very low	105 Å²	105	137.5 Å²	137.5	73%	0.734	80%	0.802	S	S	*	*			trans	-154.7	106	153	51.1	0	0	0	0	103.8
395	E	28.7	Very low	31.3	Very low	177 Å²	177	140 Å²	140	83%	0.827	81%	0.805	S	S	*	*				45.3	96.7	89.7	-69.7	-178.5	-171.7	0	0	110.5
396	D	33.7	Very low	31.4	Very low	146 Å²	146	139.8 Å²	139.8	78%	0.781	80%	0.804	S	S	*	*				-177.9	130.1	124	-80.3	-21.8	0	0	0	111.4
397	D	34.8	Very low	31.7	Very low	138 Å²	138	141.8 Å²	141.8	74%	0.738	81%	0.805	S	S	*	*			trans	68.5	95.2	145	-56	-23	0	0	0	122
398	D	30.2	Very low	31.6	Very low	144 Å²	144	140 Å²	140	77%	0.77	80%	0.798	S	S	*	*				18.7	116.5	113.5	-63.6	-35	0	0	0	117.9
399	D	33.5	Very low	31.7	Very low	154 Å²	154	144.5 Å²	144.5	82%	0.824	80%	0.804	S	S	*	*			trans	179.8	107.7	132.8	-88.7	-30.4	0	0	0	106.1
400	D	39.9	Very low	31.5	Very low	177 Å²	177	147.8 Å²	147.8	95%	0.947	81%	0.807	S	S	*	*			trans	-171.4	133.8	133	-95.3	-31.3	0	0	0	112.9
401	D	33.1	Very low	31.3	Very low	133 Å²	133	146.7 Å²	146.7	71%	0.711	81%	0.805	S	S	*	*			trans	-78.5	148	-165.4	-158.1	9.1	0	0	0	113.6
402	D	32.6	Very low	31.5	Very low	129 Å²	129	151.9 Å²	151.9	69%	0.69	81%	0.807	S	S	*	*			trans	53.5	114.6	146.7	-81.1	-21.8	0	0	0	123.2
403	S	29.6	Very low	31.3	Very low	100 Å²	100	154.6 Å²	154.6	70%	0.699	80%	0.804	S	S	*	*				76.2	112.8	126.2	72.2	0	0	0	0	119.9
404	E	34.8	Very low	31	Very low	194 Å²	194	155.8 Å²	155.8	91%	0.907	81%	0.805	S	S	*	*				179.5	147.2	101.9	-93.7	-166.2	172	0	0	112.3
405	E	31.1	Very low	30.7	Very low	176 Å²	176	160.2 Å²	160.2	82%	0.822	81%	0.807	S	S	*	*			trans	-61.4	153	-164.2	-98.4	-174.3	132.8	0	0	117.7
406	P	29.2	Very low	30.5	Very low	121 Å²	121	157 Å²	157	79%	0.786	80%	0.804	S	S	*	*			trans	-90.5	114.1	-178.3	34.6	-29.7	0	0	0	112.6	S408	P406-S408 PolarHBondContact O-N 2.72Å
407	Y	33.7	Very low	30.1	Very low	230 Å²	230	158.4 Å²	158.4	90%	0.902	81%	0.808	S	S	*	*			trans	-71.2	103.6	166.9	-84.6	-77.5	0	0	0	111.8	K409	Y407-K409 PolarHBondContact O-N 3.29Å
408	S	27.6	Very low	29.8	Very low	106 Å²	106	157.5 Å²	157.5	74%	0.741	81%	0.807	S	S	*	*			trans	-61.9	121.9	166.5	75.5	0	0	0	0	111.9	P406	P406-S408 PolarHBondContact O-N 2.72Å
409	K	34	Very low	29.4	Very low	205 Å²	205	159 Å²	159	89%	0.891	81%	0.812	S	S	*	*			trans	-143.2	102.3	152.7	-74.9	-164.9	-178.9	166.1	0	112.1	Y407	Y407-K409 PolarHBondContact O-N 3.29Å
410	K	27.9	Very low	29.1	Very low	187 Å²	187	162.8 Å²	162.8	81%	0.813	82%	0.816	S	S	*	*			trans	-13.8	128	162.3	-67.1	169.2	179.2	171.6	0	117.8
411	S	22.4	Very low	28.1	Very low	116 Å²	116	157.4 Å²	157.4	81%	0.811	80%	0.802	S	S	*	*			trans	-57.6	124.8	154.9	169.2	0	0	0	0	111.8
412	R	30.5	Very low	27.7	Very low	230 Å²	230	156 Å²	156	87%	0.868	80%	0.803	S	S	*	*			trans	-139.6	103.4	158.5	-81.5	-165.2	160	128.1	-4.6	111.6
413	K	27.4	Very low	27.2	Very low	172 Å²	172	158.7 Å²	158.7	75%	0.748	81%	0.811	S	S	*	*			trans	8.1	117.4	149.8	-86.5	173	171	173.5	0	117.6	Y415	K413-Y415 PolarHBondContact O-N 3.45Å
414	C	21.4	Very low	27.3	Very low	132 Å²	132	159 Å²	159	89%	0.892	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-58.9	120.6	156.1	-56.5	0	0	0	0	110.2
415	Y	28.2	Very low	26.9	Very low	198 Å²	198	154.9 Å²	154.9	78%	0.776	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-98.6	117.2	157.3	-88.3	-85.9	0	0	0	108.2	K413	K413-Y415 PolarHBondContact O-N 3.45Å
416	S	25.9	Very low	26.8	Very low	109 Å²	109	151.9 Å²	151.9	76%	0.762	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-61.9	129	161.3	54.6	0	0	0	0	109.1
417	M	25.1	Very low	27.2	Very low	176 Å²	176	150.7 Å²	150.7	87%	0.867	80%	0.796	S	S	*	*			trans	-134.5	127	161.1	-163.3	68.4	79.6	0	0	109.2
418	T	26.8	Very low	27	Very low	118 Å²	118	150.1 Å²	150.1	72%	0.724	80%	0.799	S	S	*	*			trans	-79	158.4	-168.3	39.4	0	0	0	0	114
419	M	21.7	Very low	27.1	Very low	177 Å²	177	151 Å²	151	87%	0.872	80%	0.8	S	S	*	*			trans	-61.3	127.2	178.5	-60	-83.5	-82.4	0	0	114
420	Y	27.6	Very low	27.1	Very low	233 Å²	233	148.4 Å²	148.4	91%	0.914	80%	0.796	S	S	*	*			trans	-150.9	132.9	147.6	-79.6	-81.6	0	0	0	104.7
421	G	20.3	Very low	27.5	Very low	63 Å²	63	144 Å²	144	65%	0.649	79%	0.789	S	S	*	*			cis	103.3	104.2	41.1	0	0	0	0	0	108.5
422	S	23.3	Very low	28	Very low	104 Å²	104	145.6 Å²	145.6	73%	0.727	79%	0.788	S	S	*	*			trans	90.9	118.4	146.7	-59.3	0	0	0	0	122.1
423	H	23.2	Very low	28.1	Very low	186 Å²	186	142.7 Å²	142.7	86%	0.861	78%	0.784	S	S	*	*			trans	70.2	111.8	139.1	-57.7	-57.2	0	0	0	122.8
424	S	31.6	Very low	28.4	Very low	105 Å²	105	142.3 Å²	142.3	73%	0.734	79%	0.785	S	S	*	*			trans	-176.5	104.1	141.5	176.1	0	0	0	0	108.5
425	S	26.4	Very low	29.1	Very low	109 Å²	109	143 Å²	143	76%	0.762	78%	0.779	S	S	*	*				41.4	132.3	105.7	62.7	0	0	0	0	115
426	S	28.3	Very low	29.3	Very low	112 Å²	112	139 Å²	139	78%	0.783	77%	0.771	S	S	*	*			cis	-171.1	-166.1	21	-153.7	0	0	0	0	108
427	P	38.2	Very low	29.9	Very low	96 Å²	96	140.5 Å²	140.5	62%	0.623	77%	0.766	S	S	*	*				-122.7	139.5	-117.2	33.2	-11	0	0	0	115.1
428	F	29.2	Very low	30.4	Very low	219 Å²	219	139.2 Å²	139.2	96%	0.961	76%	0.757	S	S	*	*			trans	-144.1	106.3	151.6	-100.9	-84.4	0	0	0	108.4
429	T	28.8	Very low	30.8	Very low	124 Å²	124	144 Å²	144	76%	0.761	76%	0.763	S	S	*	*			trans	-81.8	106.4	172	46.6	0	0	0	0	107.7
430	D	33.7	Very low	31.4	Very low	151 Å²	151	141.7 Å²	141.7	81%	0.807	75%	0.752	S	S	*	*			trans	-104.2	120.2	161.7	-149.6	-7.2	0	0	0	108.3	D432	D430-D432 PolarHBondContact O-N 3.21Å
431	S	38.2	Very low	31.8	Very low	95 Å²	95	136.8 Å²	136.8	66%	0.664	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	65.7	-157.4	-57.9	0	0	0	0	109.7
432	D	31.3	Very low	32.3	Very low	149 Å²	149	141 Å²	141	80%	0.797	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.2	2.6	171.6	-88.4	-38.9	0	0	0	114.7	D430	D430-D432 PolarHBondContact O-N 3.21Å
433	E	33.3	Very low	32.6	Very low	168 Å²	168	141.8 Å²	141.8	79%	0.785	75%	0.752	S	S	*	*	S	Bend	trans	-95	-5.2	179.4	-138.7	172	-168.9	0	0	114.6	I435	E433-I435 PolarHBondContact O-N 2.95Å
434	Q	33.6	Very low	33.2	Very low	164 Å²	164	141.9 Å²	141.9	77%	0.766	75%	0.75	S	S	*	*	H	α-helix	trans	-80.8	-4.2	-176.5	-80.6	-173.2	2.8	0	0	116.1	N436	Q434-N436 VanDerWaalsContact C-N 3.34Å
435	I	35.7	Very low	33.1	Very low	147 Å²	147	146.3 Å²	146.3	75%	0.754	76%	0.756	S	S	*	*	H	α-helix	trans	-80.3	-17.9	175.3	-62.3	-179.9	0	0	0	111.8	E433	E433-I435 PolarHBondContact O-N 2.95Å
436	N	34	Very low	33.1	Very low	115 Å²	115	153 Å²	153	62%	0.615	77%	0.765	S	S	*	*	H	α-helix	trans	-93	-23.5	-177.2	-152.2	12.5	0	0	0	114.4	Q434	Q434-N436 VanDerWaalsContact C-N 3.34Å
437	E	37.2	Very low	33.3	Very low	139 Å²	139	153.5 Å²	153.5	65%	0.65	77%	0.765	S	S	*	*	H	α-helix	trans	-79.7	-27.1	178	-71.9	-148.2	145	0	0	113.9	R439 I440 L441	E437-R439 VanDerWaalsContact C-N 3.26Å; E437-R439 PolarHBondContact O-N 3.48Å; E437-I440 PolarHBondContact O-N 3.39Å; E437-L441 PolarHBondContact O-N 3.14Å
438	Q	35.5	Very low	32.7	Very low	149 Å²	149	160.5 Å²	160.5	70%	0.696	78%	0.779	S	S	*	*	H	α-helix	trans	-68.8	-23.3	178.1	-76.9	-173.2	-4	0	0	113.3
439	R	36.2	Very low	32.8	Very low	220 Å²	220	154.8 Å²	154.8	83%	0.83	77%	0.772	S	S	*	*	H	α-helix	trans	-82.4	-22.2	175.8	-108.2	-179.8	179.9	163.1	1.4	114.1	E437	E437-R439 VanDerWaalsContact C-N 3.26Å; E437-R439 PolarHBondContact O-N 3.48Å
440	I	34.5	Very low	32.8	Very low	127 Å²	127	156.2 Å²	156.2	65%	0.651	78%	0.775	S	S	*	*	H	α-helix	trans	-88.7	-23.7	-179.4	-62.6	178	0	0	0	111.6	E437	E437-I440 PolarHBondContact O-N 3.39Å
441	L	35.3	Very low	32.5	Very low	130 Å²	130	151.9 Å²	151.9	68%	0.681	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-92.4	-4.7	179.4	-91.5	153.4	0	0	0	115.9	E437	E437-L441 PolarHBondContact O-N 3.14Å
442	L	30.4	Very low	32	Very low	151 Å²	151	154.6 Å²	154.6	79%	0.791	77%	0.773	S	S	*	*	G	3₁₀ helix	trans	-92.3	2	176.9	-91.2	156.4	0	0	0	115.3
443	C	30.9	Very low	32	Very low	122 Å²	122	155.5 Å²	155.5	82%	0.824	78%	0.778	S	S	*	*	G	3₁₀ helix	trans	-108.7	10.3	174.7	-97.5	0	0	0	0	115.6
444	K	34.5	Very low	31.6	Very low	187 Å²	187	154.9 Å²	154.9	81%	0.813	78%	0.78	S	S	*	*	S	Bend	trans	-127.5	55.9	174.4	-72.8	-173.2	179.9	176.1	0	113.2
445	K	29.1	Very low	31.3	Very low	198 Å²	198	156.9 Å²	156.9	86%	0.861	78%	0.782	S	S	*	*			trans	-141.1	83.8	155.6	-75.6	-170.2	179.9	175.6	0	109.5
446	R	28	Very low	30.9	Very low	250 Å²	250	157.1 Å²	157.1	94%	0.943	78%	0.784	S	S	*	*			trans	-78.6	122.7	155.7	-80.3	-171.8	174.4	-161.4	-1.5	107.2
447	P	30.8	Very low	30.6	Very low	122 Å²	122	156.3 Å²	156.3	79%	0.792	79%	0.788	S	S	*	*			trans	-68.4	134.6	177.2	-12.4	26.9	0	0	0	110.2	A449	P447-A449 PolarHBondContact O-N 3.01Å
448	R	25.8	Very low	30	Very low	244 Å²	244	155.3 Å²	155.3	92%	0.921	79%	0.791	S	S	*	*			trans	-68.2	103.8	159.6	-80.7	177.4	170.4	161.7	-4.1	106.9	N450	R448-N450 PolarHBondContact O-N 3.21Å
449	A	32.2	Very low	29.8	Very low	98 Å²	98	157.6 Å²	157.6	81%	0.81	80%	0.799	S	S	*	*			trans	-80.8	109.5	165.6	0	0	0	0	0	107.4	P447	P447-A449 PolarHBondContact O-N 3.01Å
450	N	29.4	Very low	29.2	Very low	154 Å²	154	154.9 Å²	154.9	82%	0.824	80%	0.796	S	S	*	*			trans	-61.5	146.5	161.4	-79.8	-18.1	0	0	0	108.7	R448	R448-N450 PolarHBondContact O-N 3.21Å
451	G	26.9	Very low	28.8	Very low	60 Å²	60	155 Å²	155	62%	0.619	80%	0.803	S	S	*	*			trans	-65.5	178.2	174.5	0	0	0	0	0	113.4
452	D	27.5	Very low	28.4	Very low	153 Å²	153	157.6 Å²	157.6	82%	0.818	81%	0.811	S	S	*	*			trans	78.4	88.8	169.5	-47.2	-20.6	0	0	0	113.7
453	D	31.3	Very low	28.3	Very low	167 Å²	167	156.4 Å²	156.4	89%	0.893	81%	0.81	S	S	*	*				-161.6	112.8	121.6	-87.6	-30	0	0	0	110
454	D	25.4	Very low	28	Very low	155 Å²	155	156.8 Å²	156.8	83%	0.829	81%	0.809	S	S	*	*			trans	-48.9	135.3	159.4	-93.3	-37.8	0	0	0	110.2
455	Y	26.1	Very low	27.7	Very low	207 Å²	207	155.7 Å²	155.7	81%	0.812	81%	0.81	S	S	*	*				-176.2	125.5	123.5	-118.2	-112.4	0	0	0	111.5
456	L	27.4	Very low	27.5	Very low	151 Å²	151	150.1 Å²	150.1	79%	0.791	80%	0.797	S	S	*	*			trans	63.6	109.5	147	-112.3	72.8	0	0	0	119.5
457	S	28.7	Very low	27.4	Very low	99 Å²	99	146.8 Å²	146.8	69%	0.692	79%	0.789	S	S	*	*				175.7	106.7	103.9	176.5	0	0	0	0	111.3	F459	S457-F459 PolarHBondContact O-N 3.28Å
458	T	24.8	Very low	27.2	Very low	118 Å²	118	148.3 Å²	148.3	72%	0.724	79%	0.79	S	S	*	*			trans	-55.5	119.1	159.1	-58.2	0	0	0	0	111
459	F	29.7	Very low	27.4	Very low	196 Å²	196	143.3 Å²	143.3	86%	0.86	79%	0.787	S	S	*	*			trans	-144.7	105.6	140.7	-92.6	-74	0	0	0	109.4	S457	S457-F459 PolarHBondContact O-N 3.28Å
460	Q	23.8	Very low	27.2	Very low	164 Å²	164	144.4 Å²	144.4	77%	0.766	78%	0.784	S	S	*	*			trans	-60.9	137.2	158.8	-63.8	167.9	-9	0	0	108.4
461	T	27.9	Very low	27.2	Very low	130 Å²	130	143 Å²	143	80%	0.798	78%	0.781	S	S	*	*				178.9	131.4	99	38.1	0	0	0	0	109.3
462	E	25	Very low	27.3	Very low	184 Å²	184	147.4 Å²	147.4	86%	0.86	79%	0.789	S	S	*	*			trans	-61.2	138.8	174.5	-62.6	161.9	151.4	0	0	111
463	T	28.4	Very low	27.4	Very low	125 Å²	125	147.1 Å²	147.1	77%	0.767	79%	0.787	S	S	*	*			trans	-135.1	100.9	150.3	-49.8	0	0	0	0	107.7	I465	T463-I465 PolarHBondContact O-N 3.46Å
464	T	25.7	Very low	27.4	Very low	131 Å²	131	150.6 Å²	150.6	80%	0.804	79%	0.788	S	S	*	*			trans	-65.1	107.2	170	26.1	0	0	0	0	109.7
465	I	27.4	Very low	27.6	Very low	163 Å²	163	152.9 Å²	152.9	84%	0.836	79%	0.791	S	S	*	*			trans	-101.8	94.7	159.1	-63	-179.3	0	0	0	107.2	T463	T463-I465 PolarHBondContact O-N 3.46Å
466	S	24.9	Very low	27.7	Very low	82 Å²	82	148.8 Å²	148.8	57%	0.573	79%	0.787	S	S	*	*			trans	-86.2	150.2	166.8	71.2	0	0	0	0	110.5
467	K	26.6	Very low	27.9	Very low	180 Å²	180	147.6 Å²	147.6	78%	0.783	79%	0.792	S	S	*	*			trans	93.7	104.6	158.2	-55.9	167.9	-172.7	-179.2	0	115.9
468	N	26	Very low	27.9	Very low	153 Å²	153	151 Å²	151	82%	0.818	80%	0.797	S	S	*	*				-174.3	101.4	103.4	-88.2	-15.5	0	0	0	110.1
469	T	30.4	Very low	28	Very low	139 Å²	139	151.9 Å²	151.9	85%	0.853	80%	0.802	S	S	*	*			trans	-123.2	104.8	162.2	-47.7	0	0	0	0	107.3	T471	T469-T471 PolarHBondContact O-N 3.1Å
470	T	28	Very low	28	Very low	122 Å²	122	153.1 Å²	153.1	75%	0.748	80%	0.801	S	S	*	*			trans	-71.3	111.3	178.1	-58.1	0	0	0	0	109.5	I472	T470-I472 PolarHBondContact O-N 3.23Å
471	T	28.6	Very low	28.2	Very low	124 Å²	124	157.1 Å²	157.1	76%	0.761	81%	0.809	S	S	*	*			trans	-75.4	114.2	169.1	-55.6	0	0	0	0	109	T469	T469-T471 PolarHBondContact O-N 3.1Å
472	I	30.4	Very low	28.4	Very low	152 Å²	152	158 Å²	158	78%	0.779	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-83.9	127	169.6	-67.1	178.2	0	0	0	108.9	T470	T470-I472 PolarHBondContact O-N 3.23Å
473	N	28.9	Very low	28.6	Very low	147 Å²	147	154.2 Å²	154.2	79%	0.786	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-54	131.9	-175.4	-73.9	-36.3	0	0	0	114.1
474	R	32	Very low	28.7	Very low	241 Å²	241	158.6 Å²	158.6	91%	0.909	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-84.7	127	158	-99.7	-174.1	-175.8	107.1	0.9	109	T476	R474-T476 PolarHBondContact O-N 2.62Å
475	F	27.9	Very low	28.9	Very low	202 Å²	202	157.1 Å²	157.1	89%	0.886	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-60.6	127	169.8	-93.2	-97	0	0	0	111.4
476	T	29.7	Very low	29	Very low	121 Å²	121	159.5 Å²	159.5	74%	0.742	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-78	128.9	166.8	44.3	0	0	0	0	109.8	R474	R474-T476 PolarHBondContact O-N 2.62Å
477	S	32	Very low	29.2	Very low	126 Å²	126	163.8 Å²	163.8	88%	0.881	82%	0.816	S	S	*	*			trans	-105.8	110.1	158.2	43.1	0	0	0	0	108.2
478	E	27.2	Very low	29.3	Very low	171 Å²	171	158.4 Å²	158.4	80%	0.799	81%	0.812	S	S	*	*			trans	-79.1	162.4	169.7	-77	173	128	0	0	110.9
479	T	28.6	Very low	29.3	Very low	136 Å²	136	156.6 Å²	156.6	83%	0.834	81%	0.811	S	S	*	*			trans	103.4	93.3	159.6	-39.4	0	0	0	0	115.6
480	R	29.2	Very low	29.5	Very low	223 Å²	223	159.6 Å²	159.6	84%	0.842	81%	0.812	S	S	*	*				-174.6	105	100.1	-131.7	172.3	173.6	-174	-2	110.3
481	R	28.6	Very low	29.7	Very low	247 Å²	247	158.8 Å²	158.8	93%	0.932	81%	0.812	S	S	*	*			trans	-77.8	124.6	160.5	-76.7	179.4	-175.6	133.9	2.5	107.6
482	N	30.9	Very low	29.5	Very low	148 Å²	148	159.7 Å²	159.7	79%	0.791	81%	0.807	S	S	*	*			trans	-115.2	113.2	155.6	-101.4	-3.9	0	0	0	108.4
483	S	30.1	Very low	29.6	Very low	106 Å²	106	158.6 Å²	158.6	74%	0.741	81%	0.81	S	S	*	*			trans	-72.3	122.1	173.2	37.5	0	0	0	0	110.9
484	F	30.8	Very low	29.7	Very low	217 Å²	217	161.2 Å²	161.2	95%	0.952	81%	0.809	S	S	*	*			trans	-122.2	104.4	152.5	-107.8	-87.3	0	0	0	108.6
485	S	28.9	Very low	29.5	Very low	99 Å²	99	155 Å²	155	69%	0.692	80%	0.803	S	S	*	*			trans	-91.3	131	167.8	56.6	0	0	0	0	109.3
486	R	29.1	Very low	29.8	Very low	214 Å²	214	156.7 Å²	156.7	81%	0.808	80%	0.803	S	S	*	*				164.9	137.2	122.1	-101.8	-178.1	151.2	-160.6	-4.7	113.6
487	Q	30.2	Very low	29.8	Very low	171 Å²	171	161.6 Å²	161.6	80%	0.799	81%	0.808	S	S	*	*			trans	75	131.4	153.5	-63.9	176.8	16.9	0	0	116.6
488	G	27.7	Very low	29.8	Very low	67 Å²	67	162.2 Å²	162.2	69%	0.691	80%	0.802	S	S	*	*			cis	-175.8	144.9	4.8	0	0	0	0	0	110.5
489	S	26.9	Very low	30	Very low	116 Å²	116	161.1 Å²	161.1	81%	0.811	80%	0.801	S	S	*	*			trans	9.3	126.2	154.8	57.4	0	0	0	0	120.4
490	K	34.7	Very low	30.2	Very low	201 Å²	201	164.8 Å²	164.8	87%	0.874	80%	0.801	S	S	*	*				-160.2	107.6	129.9	-106.9	169	-172	-177.4	0	111.9
491	S	31.9	Very low	30.4	Very low	106 Å²	106	165.2 Å²	165.2	74%	0.741	80%	0.803	S	S	*	*			trans	45.6	118.9	141.6	56.3	0	0	0	0	121.6
492	E	24.9	Very low	30.5	Very low	142 Å²	142	158 Å²	158	66%	0.664	79%	0.79	S	S	*	*			trans	-39	150.7	149.8	-69.1	177.5	126.4	0	0	113.1	R494	E492-R494 IonicContact OE1-CZ 2.76Å; E492-R494 IonicContact OE1-NE 3.85Å; E492-R494 PolarHBondContact OE1-NE 3.32Å; E492-R494 IonicContact OE1-NH2 3.72Å; E492-R494 IonicContact OE2-NE 3.67Å
493	P	32.3	Very low	30.6	Very low	130 Å²	130	157.9 Å²	157.9	84%	0.844	79%	0.789	S	S	*	*				-124.3	132.1	112.3	33.9	-27.8	0	0	0	111.9
494	R	29.4	Very low	30.8	Very low	202 Å²	202	163.4 Å²	163.4	76%	0.762	79%	0.793	S	S	*	*			trans	-72.6	154.6	172	-72	175.1	171.7	-170.3	-8.2	111.7	E492	E492-R494 IonicContact OE1-CZ 2.76Å; E492-R494 IonicContact OE1-NE 3.85Å; E492-R494 PolarHBondContact OE1-NE 3.32Å; E492-R494 IonicContact OE1-NH2 3.72Å; E492-R494 IonicContact OE2-NE 3.67Å
495	S	29.1	Very low	30.9	Very low	110 Å²	110	162.8 Å²	162.8	77%	0.769	79%	0.786	S	S	*	*			trans	81.9	103.8	151.5	-166.1	0	0	0	0	117.7
496	R	33.1	Very low	30.9	Very low	237 Å²	237	163 Å²	163	89%	0.894	79%	0.787	S	S	*	*				-160.7	109.6	109.5	-105.1	172.4	175.6	-179	-1.2	110.9	N498	R496-N498 PolarHBondContact O-N 2.96Å
497	R	31	Very low	30.8	Very low	225 Å²	225	159 Å²	159	85%	0.849	79%	0.786	S	S	*	*			trans	-55.9	127.4	156.7	-95.4	174.7	166.6	160.4	-4	108
498	N	32.2	Very low	31.2	Very low	139 Å²	139	159.9 Å²	159.9	74%	0.743	79%	0.79	S	S	*	*			trans	-138.8	104.2	149.4	-97.8	-12.9	0	0	0	108.2	R496 Y500	R496-N498 PolarHBondContact O-N 2.96Å; N498-Y500 PolarHBondContact O-N 3.22Å
499	N	30.8	Very low	31.3	Very low	147 Å²	147	168.2 Å²	168.2	79%	0.786	80%	0.801	S	S	*	*			trans	-68.6	112.7	164.1	-75.9	-30.4	0	0	0	107.8
500	Y	33.2	Very low	32.1	Very low	214 Å²	214	174.3 Å²	174.3	84%	0.839	82%	0.824	S	S	*	*			trans	-100.9	105.2	158.5	-96	-85.7	0	0	0	109	N498	N498-Y500 PolarHBondContact O-N 3.22Å
501	R	33.6	Very low	31.9	Very low	231 Å²	231	173 Å²	173	87%	0.872	82%	0.822	S	S	*	*			trans	-64.4	134.1	163.9	-95	177.5	166.2	178.1	-4.7	109.3
502	S	30.8	Very low	31.9	Very low	95 Å²	95	176.5 Å²	176.5	66%	0.664	83%	0.826	S	S	*	*			trans	33.4	103.3	133.6	176.9	0	0	0	0	117.3
503	L	32.4	Very low	32.3	Very low	146 Å²	146	178.4 Å²	178.4	76%	0.764	84%	0.835	S	S	*	*			trans	-112.6	95.2	148.4	-82	158.9	0	0	0	108	Y505	L503-Y505 HydrophobicContact CD2-CD2 4.33Å; L503-Y505 HydrophobicContact CD2-CE2 3.9Å
504	R	33.4	Very low	32.3	Very low	223 Å²	223	181.2 Å²	181.2	84%	0.842	83%	0.834	S	S	*	*			trans	-73	118	153	-71	-176.7	-165.3	177.8	2.8	106.2
505	Y	33.8	Very low	32.5	Very low	203 Å²	203	179.9 Å²	179.9	80%	0.796	84%	0.839	S	S	*	*			trans	-106	104.3	157.5	-96.7	-82.9	0	0	0	107.5	L503	L503-Y505 HydrophobicContact CD2-CD2 4.33Å; L503-Y505 HydrophobicContact CD2-CE2 3.9Å
506	C	27.8	Very low	32.7	Very low	105 Å²	105	184.6 Å²	184.6	71%	0.709	84%	0.844	S	S	*	*			trans	-104.6	152.7	155.9	-79.3	0	0	0	0	107.5
507	T	28.7	Very low	32.7	Very low	130 Å²	130	180.9 Å²	180.9	80%	0.798	84%	0.84	S	S	*	*			trans	80.5	125.3	176.6	68.1	0	0	0	0	113
508	E	37	Very low	32.9	Very low	189 Å²	189	177.5 Å²	177.5	88%	0.883	84%	0.839	S	S	*	*				-140.3	139.5	57.5	-74.3	169.1	159.1	0	0	114.5
509	R	29.9	Very low	32.9	Very low	241 Å²	241	180.7 Å²	180.7	91%	0.909	85%	0.847	S	S	*	*			trans	-71.6	136.3	154.3	-82.8	175.2	164.9	171.6	-6.7	109.2
510	N	43.6	Very low	33.1	Very low	244 Å²	244	183.7 Å²	183.7	100%	1.305	85%	0.853	S	S	*	*			trans	-156.1	0	132.8	-102	-21.4	0	0	0	108

Retrieved 510 of 510 residues in 971.3 ms (Link to these results)

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