A0A3Q0KJG7_SCHMA Loading...

valine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A3Q0KJG7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,105 aa.

						>A0A3Q0KJG7_SCHMA|A0A3Q0KJG7
MQNQLRILLHLGCGHKKVYKRYQLNNIFIRWKTVCPEISNDNETTVSTSSPRWDILHSEYVYNPTLVENPNLCKSLWDRLQLFNPDKTLATNHNESIVSMILPPPNITGTLHVGHALTCTIQDAIARCYRMHGKTVLWVPGMDHAGIATQSIVERDLLKQYSLNSSQFPNNQSKSSVLSCQFPSNPRLLLGRENFIQRIWDWKNQHAELIREQLNSLGLCLDWSREFFTLSPSHSECVTEAFLRLYNAGLIYQSESFISWCCYLQTAISDIEVEFRDISESTFLNVPGYEKPVEFGVMDYFAFRVIDPPKSLLSERNHPGSRLDELVIATTRLETMLASIALVVHPDDKRYQHLIGCYVEHPFYPNEHLPIISDAQLVQPEIGTGVVKLSPGHSQVDWEVAKRHQLPVKYVFDNSGCITNTGTEFDGLPRFIARQRLVEQLTKLGLYKRRQNIGANGGRPALLPICSRSGDIIEPMIKKQWFVRTKDLAEAAVKAVHSNQLELFPENQKLIWSEWLKPTNHKDWCISRQLYWGHPIPAYKVISSNSKSTNDCDDTDRWIVARSINEAVNILTDSGLHSNDYQLIQDPDVLDTWFSSALLPFSVFGWPNDTKEQRFYPLRLLESGQDILFFWIARMVMLGIFLTGQVPFKTVILHGLVCDSTGQKMSKSKNNSVNPLKIIHGIGNLPKETVGSSIQVLGADALRAALLTHQLSQSHINFDENTVLEMRKFCNKMWQTARFVSIQLKKQDVFQSVSTIHHKSLGTQWIDFVGGLSKGKQLRLFDIWIIHKLCRLIHLINSSWTDPKDIDHGENKIQTGNHKFRVDFDNEDLKWSFHHGVKGMQNWWLNDLCSIYLEVIKNEGSTPSNTNSLHILYLCLMTGIHIFHPIMPHLTEVLWHGLNMRIEQKDDLLYNPENSLLTQQYPNCKWFEFLYQNDYDISLDRVQEIMSELSTVASNVNSWRPLLRSIHHNKSKNPTELKKMESDSIYLIRNASDSHVSEDESAVLKALTSINFKSDMIASNNYVYIPVHNDQTDWHLCINKNEYDLNWARNELQLRIDNLCKRKEELINIGKMKKSKQNTQETNQFKIEVIQKKVEKLEYQLSCLM
					

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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	41.5	Very low	41.1	Very low	216 Å²	216	166.1 Å²	166.1	100%	1.064	81%	0.806	S	S	*	*				0	-24	0	-85.7	-175.2	160.7	0	0	113.9	N3 Q4	M1-N3 PolarHBondContact O-N 2.99Å; M1-Q4 PolarHBondContact O-N 3.31Å
2	Q	39.3	Very low	40.3	Very low	189 Å²	189	157.1 Å²	157.1	88%	0.883	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	-29.7	175.4	-80.4	172.3	-27.5	0	0	115
3	N	39.1	Very low	39.8	Very low	162 Å²	162	154.9 Å²	154.9	87%	0.866	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	4.1	-174.3	-68.3	-6.9	0	0	0	116.2	M1	M1-N3 PolarHBondContact O-N 2.99Å
4	Q	42.4	Very low	39.6	Very low	165 Å²	165	148.9 Å²	148.9	77%	0.771	79%	0.79	S	S	*	*			trans	-123.3	3.6	-170.5	-75.5	-169	-18.7	0	0	116.2	M1 R6	M1-Q4 PolarHBondContact O-N 3.31Å; Q4-R6 PolarHBondContact O-N 3.21Å
5	L	42.8	Very low	40	Very low	136 Å²	136	152.7 Å²	152.7	71%	0.712	80%	0.801	S	S	*	*			trans	-74.1	102.8	176.4	-95.7	150.6	0	0	0	110.7
6	R	43.7	Very low	39.9	Very low	230 Å²	230	154.5 Å²	154.5	87%	0.868	80%	0.8	S	S	*	*			trans	-90.6	103.4	174.4	-64.6	179.5	-178.3	-175.9	1.3	108.8	Q4	Q4-R6 PolarHBondContact O-N 3.21Å
7	I	47.7	Very low	39.7	Very low	121 Å²	121	155.6 Å²	155.6	62%	0.621	80%	0.798	S	S	*	*			trans	-96.6	113.9	174.1	-55.4	176.9	0	0	0	108.1	L9	I7-L9 HydrophobicContact CG2-CD2 4.4Å; I7-L9 HydrophobicContact CG2-CG 4.3Å; I7-L9 PolarHBondContact O-N 3.43Å
8	L	40.7	Very low	39.4	Very low	153 Å²	153	153.3 Å²	153.3	80%	0.801	79%	0.792	S	S	*	*			trans	-78.3	103.6	171.4	-82.9	156.7	0	0	0	108.4
9	L	38.4	Very low	39.3	Very low	127 Å²	127	155 Å²	155	67%	0.665	79%	0.788	S	S	*	*			trans	-86	116.3	175.3	-75.5	166.7	0	0	0	110.2	I7 L11	I7-L9 HydrophobicContact CG2-CD2 4.4Å; I7-L9 HydrophobicContact CG2-CG 4.3Å; I7-L9 PolarHBondContact O-N 3.43Å; L9-L11 PolarHBondContact O-N 2.65Å
10	H	37.1	Very low	38.9	Very low	171 Å²	171	155.2 Å²	155.2	79%	0.792	78%	0.784	S	S	*	*			trans	-87.6	87.8	177.5	-156.1	-45.8	0	0	0	109.4	G12	H10-G12 PolarHBondContact O-N 2.59Å
11	L	39.5	Very low	38.8	Very low	157 Å²	157	159.2 Å²	159.2	82%	0.822	79%	0.789	S	S	*	*			trans	-85.5	94.2	171.9	-68.3	170.6	0	0	0	108.4	L9	L9-L11 PolarHBondContact O-N 2.65Å
12	G	31	Very low	38.7	Very low	58 Å²	58	156.7 Å²	156.7	60%	0.598	77%	0.769	S	S	*	*			trans	-74.6	121.3	178.3	0	0	0	0	0	111.8	H10	H10-G12 PolarHBondContact O-N 2.59Å
13	C	33.7	Very low	38.7	Very low	129 Å²	129	156.2 Å²	156.2	87%	0.872	77%	0.767	S	S	*	*			trans	-162.6	117.1	150.9	-102.8	0	0	0	0	109.2
14	G	37.9	Very low	38.9	Very low	71 Å²	71	154.1 Å²	154.1	73%	0.732	76%	0.755	S	S	*	*	S	Bend	trans	60.1	99.3	158.9	0	0	0	0	0	119	K16	G14-K16 VanDerWaalsContact C-N 3.26Å; G14-K16 PolarHBondContact O-N 3.46Å
15	H	45.2	Very low	38.9	Very low	205 Å²	205	152.5 Å²	152.5	95%	0.949	75%	0.751	S	S	*	*	S	Bend	trans	40.2	5.9	155.8	-70.2	-55.5	0	0	0	123.3
16	K	38.6	Very low	38.9	Very low	182 Å²	182	153.1 Å²	153.1	79%	0.791	76%	0.756	S	S	*	*			trans	-132	107.2	165.9	-78.3	-175.8	176	177.1	0	110.6	G14 V18	G14-K16 VanDerWaalsContact C-N 3.26Å; G14-K16 PolarHBondContact O-N 3.46Å; K16-V18 PolarHBondContact O-N 2.92Å
17	K	35.9	Very low	38.6	Very low	174 Å²	174	147.4 Å²	147.4	76%	0.757	74%	0.741	S	S	*	*			trans	-66.5	98.5	174.1	-69.2	-178.7	179.5	179.8	0	109.4	Y19	K17-Y19 HydrophobicContact CB-CE2 4.37Å
18	V	34.1	Very low	38.2	Very low	114 Å²	114	150.8 Å²	150.8	69%	0.691	75%	0.752	S	S	*	*			trans	-105.6	110.1	170.6	-177.7	0	0	0	0	108.6	K16 K20	K16-V18 PolarHBondContact O-N 2.92Å; V18-K20 HydrophobicContact CG1-CG 4.43Å; V18-K20 PolarHBondContact O-N 3.33Å
19	Y	38	Very low	38.1	Very low	185 Å²	185	148.9 Å²	148.9	73%	0.725	74%	0.741	S	S	*	*			trans	-79	106.6	173.1	-57.9	-87.3	0	0	0	108.8	K17	K17-Y19 HydrophobicContact CB-CE2 4.37Å
20	K	32.3	Very low	37.8	Very low	159 Å²	159	154.3 Å²	154.3	69%	0.691	75%	0.753	S	S	*	*			trans	-99.2	133.1	169.1	-90.7	-175	176.1	179	0	111	V18 Y22	V18-K20 HydrophobicContact CG1-CG 4.43Å; V18-K20 PolarHBondContact O-N 3.33Å; K20-Y22 HydrophobicContact CB-CD2 4.41Å; K20-Y22 HydrophobicContact CB-CE2 3.79Å; K20-Y22 HydrophobicContact CD-CE2 4.5Å
21	R	35.2	Very low	37.6	Very low	240 Å²	240	157.1 Å²	157.1	91%	0.906	76%	0.756	S	S	*	*			trans	-95.8	112.8	-175	-162.7	177.9	-171.5	176.5	0.9	108.5
22	Y	39.7	Very low	37.1	Very low	162 Å²	162	158.4 Å²	158.4	64%	0.635	76%	0.755	S	S	*	*			trans	-112.2	131.1	173.2	-70.4	-83.6	0	0	0	110.2	K20	K20-Y22 HydrophobicContact CB-CD2 4.41Å; K20-Y22 HydrophobicContact CB-CE2 3.79Å; K20-Y22 HydrophobicContact CD-CE2 4.5Å
23	Q	39.5	Very low	37.3	Very low	180 Å²	180	161.8 Å²	161.8	84%	0.841	77%	0.765	S	S	*	*			trans	-100.3	96.8	176.4	-149.9	176.5	-5.7	0	0	106.8	N25	Q23-N25 PolarHBondContact O-N 2.76Å
24	L	44.4	Very low	37	Very low	117 Å²	117	160.9 Å²	160.9	61%	0.613	76%	0.755	S	S	*	*			trans	-91	100	-179.4	-70.4	165.9	0	0	0	108.7	I27	L24-I27 HydrophobicContact CB-CD1 4.16Å; L24-I27 HydrophobicContact CD1-CD1 4.26Å
25	N	40.5	Very low	36.5	Very low	131 Å²	131	162.3 Å²	162.3	70%	0.701	75%	0.753	S	S	*	*			trans	-76.8	138.4	170.3	-69.7	-18.7	0	0	0	109	Q23	Q23-N25 PolarHBondContact O-N 2.76Å
26	N	43.3	Very low	35.9	Very low	149 Å²	149	158.1 Å²	158.1	80%	0.797	74%	0.744	S	S	*	*			trans	76.3	47.6	172.1	-54.6	-21.9	0	0	0	118.2
27	I	37.4	Very low	35.5	Very low	111 Å²	111	158.1 Å²	158.1	57%	0.569	75%	0.747	S	S	*	*			trans	-89.4	116.9	161.4	-59.2	177.8	0	0	0	109.7	L24 I29	L24-I27 HydrophobicContact CB-CD1 4.16Å; L24-I27 HydrophobicContact CD1-CD1 4.26Å; I27-I29 HydrophobicContact CG2-CG1 4.04Å
28	F	39.4	Very low	35.1	Very low	192 Å²	192	157 Å²	157	84%	0.842	75%	0.747	S	S	*	*			trans	-84.6	110.6	163.9	-71.4	-90.3	0	0	0	108.9	R30	F28-R30 PolarHBondContact O-N 2.96Å
29	I	38.9	Very low	35	Very low	112 Å²	112	156 Å²	156	57%	0.574	75%	0.745	S	S	*	*			trans	-85.3	100	171.8	-55.7	176.2	0	0	0	107.6	I27	I27-I29 HydrophobicContact CG2-CG1 4.04Å
30	R	31.3	Very low	34.7	Very low	241 Å²	241	154 Å²	154	91%	0.909	75%	0.747	S	S	*	*			trans	-86.8	113.2	164.8	-103.3	-175.7	176.3	172.5	-1	108.4	F28 K32	F28-R30 PolarHBondContact O-N 2.96Å; R30-K32 PolarHBondContact O-N 2.79Å
31	W	33.6	Very low	34.6	Very low	230 Å²	230	152.6 Å²	152.6	87%	0.871	75%	0.747	S	S	*	*			trans	-76.6	114.4	166.7	-60.5	76.9	0	0	0	107.1
32	K	28.8	Very low	34.4	Very low	184 Å²	184	148.5 Å²	148.5	80%	0.8	74%	0.743	S	S	*	*			trans	-107.1	107.5	163.6	-163.1	179.8	-176.3	-172	0	105.6	R30 V34	R30-K32 PolarHBondContact O-N 2.79Å; K32-V34 PolarHBondContact O-N 3.02Å
33	T	34.7	Very low	34	Very low	129 Å²	129	149.8 Å²	149.8	79%	0.791	76%	0.755	S	S	*	*			trans	-65.9	95.9	164.7	-28.2	0	0	0	0	105.2	C35	T33-C35 VanDerWaalsContact C-N 3.35Å; T33-C35 PolarHBondContact O-N 3.28Å
34	V	27.7	Very low	33.4	Very low	110 Å²	110	146.9 Å²	146.9	67%	0.667	75%	0.75	S	S	*	*			trans	-69.6	101.8	171.8	-176.4	0	0	0	0	104.9	K32 P36	K32-V34 PolarHBondContact O-N 3.02Å; V34-P36 WeakPolarHBondContact O-CD 3.41Å
35	C	28.4	Very low	32.6	Very low	101 Å²	101	147.9 Å²	147.9	68%	0.682	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-58.1	122.7	159.3	-67	0	0	0	0	105.2	T33 E37	T33-C35 VanDerWaalsContact C-N 3.35Å; T33-C35 PolarHBondContact O-N 3.28Å; C35-E37 PolarHBondContact O-N 3.5Å
36	P	32.6	Very low	32.1	Very low	117 Å²	117	148 Å²	148	76%	0.76	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-54.8	118.9	174.9	-18.4	29.3	0	0	0	107.2	V34 I38	V34-P36 WeakPolarHBondContact O-CD 3.41Å; P36-I38 PolarHBondContact O-N 2.86Å
37	E	29	Very low	31.3	Very low	183 Å²	183	145.1 Å²	145.1	86%	0.855	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-56.4	128.1	169.4	-75.1	176.1	171.7	0	0	106.9	C35 S39	C35-E37 PolarHBondContact O-N 3.5Å; E37-S39 PolarHBondContact O-N 3.09Å
38	I	29	Very low	31	Very low	151 Å²	151	146.4 Å²	146.4	77%	0.774	77%	0.771	S	S	*	*			trans	-65.9	90.8	177.1	-59.5	165.9	0	0	0	105.9	P36 N40	P36-I38 PolarHBondContact O-N 2.86Å; I38-N40 PolarHBondContact O-N 3.21Å
39	S	30.3	Very low	30.8	Very low	92 Å²	92	141.4 Å²	141.4	64%	0.643	76%	0.759	S	S	*	*			trans	-66	113.3	163	51.3	0	0	0	0	106.6	E37 D41	E37-S39 PolarHBondContact O-N 3.09Å; S39-D41 PolarHBondContact O-N 2.96Å
40	N	32.1	Very low	31.2	Very low	143 Å²	143	140.3 Å²	140.3	77%	0.765	76%	0.762	S	S	*	*			trans	-67	43.9	176	-86.3	-17.2	0	0	0	112.9	I38 N42	I38-N40 PolarHBondContact O-N 3.21Å; N40-N42 PolarHBondContact O-N 3.48Å
41	D	30.2	Very low	32.4	Very low	129 Å²	129	133.2 Å²	133.2	69%	0.69	75%	0.747	S	S	*	*			trans	-94.4	92.1	169.9	-71.3	-20.9	0	0	0	107.7	S39	S39-D41 PolarHBondContact O-N 2.96Å
42	N	30.7	Very low	34.3	Very low	154 Å²	154	126.8 Å²	126.8	82%	0.824	72%	0.723	S	S	*	*			trans	-44.7	137.2	160.7	-72.6	-33.8	0	0	0	109.3	N40	N40-N42 PolarHBondContact O-N 3.48Å
43	E	31.3	Very low	36.9	Very low	190 Å²	190	118.4 Å²	118.4	89%	0.888	69%	0.686	S	S	*	*			trans	78.1	50.4	174.5	-50.6	-176.6	174.4	0	0	116.7
44	T	27.7	Very low	39.2	Very low	119 Å²	119	114.9 Å²	114.9	73%	0.73	66%	0.662	S	S	*	*			trans	-100.4	102.5	144.8	33.3	0	0	0	0	109	V46	T44-V46 PolarHBondContact O-N 2.84Å
45	T	26.8	Very low	42.2	Very low	138 Å²	138	110.6 Å²	110.6	85%	0.847	64%	0.636	S	S	*	*			trans	-47.9	105.2	161.2	36	0	0	0	0	107.9	S47	T45-S47 VanDerWaalsContact C-N 3.34Å; T45-S47 PolarHBondContact O-N 3.4Å
46	V	31.3	Very low	45.1	Very low	133 Å²	133	105.8 Å²	105.8	81%	0.806	60%	0.603	S	S	*	*			trans	-55.3	104.8	171.2	175.7	0	0	0	0	105.7	T44 T48	T44-V46 PolarHBondContact O-N 2.84Å; V46-T48 PolarHBondContact O-N 3.44Å
47	S	26.5	Very low	47.8	Very low	89 Å²	89	101.3 Å²	101.3	62%	0.622	57%	0.572	S	S	*	*			trans	-51.9	118.2	177	57.6	0	0	0	0	108.2	T45 S49	T45-S47 VanDerWaalsContact C-N 3.34Å; T45-S47 PolarHBondContact O-N 3.4Å; S47-S49 PolarHBondContact O-N 3.33Å
48	T	31.9	Very low	50.6	Low	137 Å²	137	95.9 Å²	95.9	84%	0.84	55%	0.554	S	S	*	*			trans	-69	26.2	-179.7	44.3	0	0	0	0	113	V46 S50	V46-T48 PolarHBondContact O-N 3.44Å; T48-S50 PolarHBondContact O-N 3.08Å
49	S	34.3	Very low	53.6	Low	87 Å²	87	91.6 Å²	91.6	61%	0.608	53%	0.531	S	S	*	.			trans	-66.8	125.4	172.3	68.2	0	0	0	0	108.8	S47 P51	S47-S49 PolarHBondContact O-N 3.33Å; S49-P51 WeakPolarHBondContact O-CD 3.43Å
50	S	46.9	Very low	56.5	Low	89 Å²	89	95.8 Å²	95.8	62%	0.622	53%	0.534	S	S	*	.	S	Bend	trans	-88.9	85.3	-172.7	-71	0	0	0	0	113.3	T48	T48-S50 PolarHBondContact O-N 3.08Å
51	P	55.9	Low	59.4	Low	93 Å²	93	92.8 Å²	92.8	60%	0.604	52%	0.52	S	S	*	.			trans	-128.3	0	155	35.7	-24.8	0	0	0	115.8	S49 W53	S49-P51 WeakPolarHBondContact O-CD 3.43Å; P51-W53 PolarHBondContact O-N 2.9Å
52	R	75.2	Confident	62.5	Low	94 Å²	94	86.7 Å²	86.7	36%	0.355	49%	0.488	S	S	.	.	S	Bend	trans	-62.7	-40.7	-175.5	-173.7	177.8	-179.6	-170.5	0.2	113.8	N71 L72 S75	R52-N71 PolarHBondContact NE-O 3.11Å; R52-N71 PolarHBondContact NH2-O 3.04Å; R52-L72 HydrophobicContact CG-CD1 3.78Å; R52-L72 PolarHBondContact NH2-O 3.4Å; R52-S75 PolarHBondContact NH2-OG 3.46Å
53	W	82.3	Confident	65.5	Low	9 Å²	9	81.7 Å²	81.7	3%	0.034	46%	0.461	C	S	.	.	S	Bend	trans	-99.7	-3.2	-174.4	-71	110.5	0	0	0	114.2	P51 I55 L72 L76 E892 V893 H896 M900	P51-W53 PolarHBondContact O-N 2.9Å; W53-I55 PolarHBondContact O-N 3.21Å; W53-L72 HydrophobicContact CD2-CD1 3.98Å; W53-L72 HydrophobicContact CE3-CD1 3.79Å; W53-L72 HydrophobicContact CE3-CD2 4.41Å; W53-L72 HydrophobicContact CE3-CG 4.16Å; W53-L72 HydrophobicContact CH2-CD1 3.99Å; W53-L72 HydrophobicContact CH2-CG 3.9Å; W53-L72 HydrophobicContact CZ2-CD1 4.14Å; W53-L72 HydrophobicContact CZ2-CG 4.49Å; W53-L72 HydrophobicContact CZ3-CD1 3.82Å; W53-L72 HydrophobicContact CZ3-CD2 4.1Å; W53-L72 HydrophobicContact CZ3-CG 3.71Å; W53-L76 HydrophobicContact CH2-CD2 3.99Å; W53-L76 HydrophobicContact CZ2-CB 4.1Å; W53-L76 HydrophobicContact CZ2-CD2 3.66Å; W53-L76 HydrophobicContact CZ2-CG 4.37Å; W53-E892 HydrophobicContact CH2-CG 3.96Å; W53-E892 HydrophobicContact CZ3-CG 4.11Å; W53-V893 HydrophobicContact CE3-CG2 4.22Å; W53-V893 HydrophobicContact CZ3-CG2 3.85Å; W53-H896 HydrophobicContact CB-CB 3.95Å; W53-H896 HydrophobicContact CD2-CB 3.88Å; W53-H896 AromaticContact CD2-CD2 3.61Å; W53-H896 AromaticContact CD2-CG 3.65Å; W53-H896 AromaticContact CE2-CD2 3.75Å; W53-H896 AromaticContact CE2-NE2 3.74Å; W53-H896 HydrophobicContact CE3-CB 3.76Å; W53-H896 AromaticContact CE3-CD2 3.43Å; W53-H896 VanDerWaalsContact CE3-CD2 3.43Å; W53-H896 AromaticContact CE3-CG 3.73Å; W53-H896 HydrophobicContact CG-CB 3.98Å; W53-H896 AromaticContact CH2-CD2 3.62Å; W53-H896 AromaticContact CH2-NE2 3.77Å; W53-H896 AromaticContact CZ2-CD2 3.8Å; W53-H896 AromaticContact CZ2-NE2 3.62Å; W53-H896 AromaticContact CZ3-CD2 3.42Å; W53-H896 VanDerWaalsContact CZ3-CD2 3.42Å; W53-H896 WeakPolarHBondContact CZ3-CD2 3.5Å; W53-M900 HydrophobicContact CB-SD 3.46Å; W53-M900 WeakPolarHBondContact CB-SD 3.46Å
54	D	83.3	Confident	68.6	Low	54 Å²	54	72.8 Å²	72.8	29%	0.289	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	24.7	-176.2	-161.7	36.2	0	0	0	113.6	L56 H57 S58 M900	D54-L56 VanDerWaalsContact C-N 3.33Å; D54-L56 PolarHBondContact O-N 3.09Å; D54-H57 PolarHBondContact O-N 3.24Å; D54-H57 VanDerWaalsContact OD1-CB 3.31Å; D54-H57 WeakPolarHBondContact OD1-CB 3.26Å; D54-H57 IonicContact OD1-CD2 3.07Å; D54-H57 PolarHBondContact OD1-CD2 3.38Å; D54-H57 IonicContact OD1-CG 3.71Å; D54-S58 PolarHBondContact O-N 2.95Å; D54-S58 VanDerWaalsContact O-N 3.08Å; D54-S58 PolarHBondContact O-OG 2.82Å; D54-M900 HydrophobicContact CB-CE 4.32Å
55	I	90.1	Very high	71.7	Confident	21 Å²	21	71.1 Å²	71.1	11%	0.108	41%	0.41	C	S	.	.	H	α-helix	trans	-65.6	-38.9	-178.2	-50.2	-179.1	0	0	0	110.5	W53 H57 S58 E59 L66 V67 L72 W734 V893	W53-I55 PolarHBondContact O-N 3.21Å; I55-H57 PolarHBondContact O-N 3.08Å; I55-H57 VanDerWaalsContact O-N 3.1Å; I55-S58 WeakPolarHBondContact CA-OG 3.28Å; I55-S58 PolarHBondContact O-N 3.21Å; I55-S58 PolarHBondContact O-OG 3.49Å; I55-E59 HydrophobicContact CG2-CB 4.44Å; I55-E59 HydrophobicContact CG2-CG 3.95Å; I55-E59 PolarHBondContact O-N 2.71Å; I55-L66 HydrophobicContact CG2-CB 4.35Å; I55-V67 HydrophobicContact CG2-CG2 4.27Å; I55-L72 HydrophobicContact CD1-CD1 4.47Å; I55-L72 HydrophobicContact CD1-CD2 3.4Å; I55-L72 VanDerWaalsContact CD1-CD2 3.4Å; I55-W734 HydrophobicContact CB-CH2 4.33Å; I55-W734 HydrophobicContact CG2-CH2 3.87Å; I55-W734 HydrophobicContact CG2-CZ2 4.45Å; I55-W734 WeakPolarHBondContact O-CZ2 3.49Å; I55-V893 HydrophobicContact CB-CG1 4.12Å
56	L	90.8	Very high	74.9	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-53.4	-34.7	178.4	-179	57.6	0	0	0	112.1	D54 W734 A737 R738 L894 L898	D54-L56 VanDerWaalsContact C-N 3.33Å; D54-L56 PolarHBondContact O-N 3.09Å; L56-W734 VanDerWaalsContact CA-CH2 3.44Å; L56-W734 VanDerWaalsContact CA-CZ2 3.44Å; L56-W734 HydrophobicContact CB-CH2 4.29Å; L56-W734 HydrophobicContact CD1-CD2 4Å; L56-W734 HydrophobicContact CD1-CE3 4.15Å; L56-W734 HydrophobicContact CD1-CH2 4.19Å; L56-W734 HydrophobicContact CD1-CZ2 4.05Å; L56-W734 HydrophobicContact CD1-CZ3 4.24Å; L56-A737 HydrophobicContact CD1-CB 4.25Å; L56-A737 HydrophobicContact CD2-CB 4.32Å; L56-R738 HydrophobicContact CD1-CG 3.55Å; L56-R738 HydrophobicContact CG-CG 4.21Å; L56-R738 WeakPolarHBondContact O-CD 3.46Å; L56-R738 WeakPolarHBondContact O-CG 3.41Å; L56-R738 PolarHBondContact O-NH1 3.34Å; L56-L894 HydrophobicContact CD1-CD2 3.55Å; L56-L894 HydrophobicContact CD2-CD2 4.34Å; L56-L894 HydrophobicContact CG-CD2 4.48Å; L56-L898 HydrophobicContact CD2-CD2 4.29Å; L56-L898 HydrophobicContact CD2-CG 4.12Å
57	H	87.8	Confident	77.9	Confident	22 Å²	22	61.2 Å²	61.2	10%	0.102	35%	0.346	C	S	.	.	H	α-helix	trans	-97.6	-30.9	-173.3	-62.1	-50	0	0	0	112.9	D54 I55 R738 S741 G897 R901	D54-H57 PolarHBondContact O-N 3.24Å; D54-H57 VanDerWaalsContact OD1-CB 3.31Å; D54-H57 WeakPolarHBondContact OD1-CB 3.26Å; D54-H57 IonicContact OD1-CD2 3.07Å; D54-H57 PolarHBondContact OD1-CD2 3.38Å; D54-H57 IonicContact OD1-CG 3.71Å; I55-H57 PolarHBondContact O-N 3.08Å; I55-H57 VanDerWaalsContact O-N 3.1Å; H57-R738 VanDerWaalsContact C-NH1 3.33Å; H57-R738 PolarHBondContact O-NH1 3.13Å; H57-S741 PolarHBondContact CE1-OG 3.45Å; H57-G897 PolarHBondContact NE2-O 3.34Å; H57-R901 PolarHBondContact CD2-NE 3.11Å; H57-R901 VanDerWaalsContact CD2-NE 3.33Å; H57-R901 VanDerWaalsContact CE1-CZ 3.43Å; H57-R901 PolarHBondContact CE1-NE 3.38Å; H57-R901 VanDerWaalsContact CG-NE 3.35Å; H57-R901 PolarHBondContact ND1-NE 3.17Å; H57-R901 PolarHBondContact ND1-NH1 2.95Å; H57-R901 PolarHBondContact ND1-NH2 2.84Å; H57-R901 WeakPolarHBondContact NE2-CD 3.45Å; H57-R901 PolarHBondContact NE2-NE 3.43Å
58	S	88	Confident	81.2	Confident	69 Å²	69	58 Å²	58	48%	0.483	32%	0.322	S	S	.	.	H	α-helix	trans	-74.1	-35.3	175.2	63.6	0	0	0	0	113.5	D54 I55	D54-S58 PolarHBondContact O-N 2.95Å; D54-S58 VanDerWaalsContact O-N 3.08Å; D54-S58 PolarHBondContact O-OG 2.82Å; I55-S58 WeakPolarHBondContact CA-OG 3.28Å; I55-S58 PolarHBondContact O-N 3.21Å; I55-S58 PolarHBondContact O-OG 3.49Å
59	E	91.6	Very high	84	Confident	61 Å²	61	54.3 Å²	54.3	29%	0.285	30%	0.297	S	S	.	.			trans	-101.5	123.2	-174	-66.1	-63.8	143.8	0	0	113.1	I55 V61 L66 W734 R738	I55-E59 HydrophobicContact CG2-CB 4.44Å; I55-E59 HydrophobicContact CG2-CG 3.95Å; I55-E59 PolarHBondContact O-N 2.71Å; E59-V61 VanDerWaalsContact C-N 3.29Å; E59-V61 PolarHBondContact O-N 2.9Å; E59-L66 HydrophobicContact CG-CD1 3.68Å; E59-L66 WeakPolarHBondContact OE1-CD1 3.07Å; E59-W734 HydrophobicContact CB-CZ2 3.93Å; E59-W734 PolarHBondContact O-NE1 2.92Å; E59-R738 PolarHBondContact O-NH1 3.44Å
60	Y	91.1	Very high	86.6	Confident	180 Å²	180	53.9 Å²	53.9	71%	0.706	29%	0.292	S	S	*	.	S	Bend	trans	-67.5	-29.2	179.6	-69	-80	0	0	0	113.4	Q735	Y60-Q735 PolarHBondContact O-NE2 3.35Å
61	V	93.4	Very high	88.6	Confident	80 Å²	80	55.4 Å²	55.4	49%	0.485	29%	0.293	S	S	.	.	S	Bend	trans	-130.4	150.3	-177.3	-66.8	0	0	0	0	109.5	E59 N63	E59-V61 VanDerWaalsContact C-N 3.29Å; E59-V61 PolarHBondContact O-N 2.9Å; V61-N63 PolarHBondContact O-N 3.29Å
62	Y	95.1	Very high	90.3	Very high	1 Å²	1	51.4 Å²	51.4	0%	0.004	27%	0.267	C	S	.	.			trans	-57.6	129.1	173.6	169	-128.1	0	0	0	109.3	P64 V67 E68 R727 C730 N731 W734 L890	Y62-P64 HydrophobicContact CD1-CG 4.46Å; Y62-P64 HydrophobicContact CE1-CG 3.76Å; Y62-P64 HydrophobicContact CE2-CG 4.43Å; Y62-V67 HydrophobicContact CD2-CB 4.33Å; Y62-V67 HydrophobicContact CD2-CG1 4.48Å; Y62-V67 HydrophobicContact CD2-CG2 3.94Å; Y62-V67 HydrophobicContact CE2-CB 3.82Å; Y62-V67 HydrophobicContact CE2-CG1 3.8Å; Y62-V67 HydrophobicContact CE2-CG2 3.96Å; Y62-E68 PolarHBondContact OH-OE1 3.39Å; Y62-R727 VanDerWaalsContact CD1-NH1 3.29Å; Y62-R727 PolarHBondContact O-NH2 2.93Å; Y62-C730 HydrophobicContact CD1-CB 3.43Å; Y62-C730 VanDerWaalsContact CD1-CB 3.43Å; Y62-C730 HydrophobicContact CE1-CB 3.29Å; Y62-C730 HydrophobicContact CG-CB 4.35Å; Y62-N731 PolarHBondContact N-OD1 3.42Å; Y62-N731 VanDerWaalsContact N-OD1 3.12Å; Y62-W734 HydrophobicContact CD2-CE3 4.16Å; Y62-L890 HydrophobicContact CD2-CD1 3.79Å; Y62-L890 HydrophobicContact CE2-CB 4.49Å; Y62-L890 HydrophobicContact CE2-CD1 3.87Å; Y62-L890 HydrophobicContact CG-CD1 4.46Å
63	N	94.7	Very high	91.1	Very high	49 Å²	49	47 Å²	47	26%	0.262	25%	0.25	S	C	.	.			trans	-130	102.8	179.5	-176.5	-4.6	0	0	0	109.9	V61 T65 L66 V67	V61-N63 PolarHBondContact O-N 3.29Å; N63-T65 PolarHBondContact O-N 2.9Å; N63-T65 PolarHBondContact OD1-N 3.39Å; N63-L66 HydrophobicContact CB-CD1 4.28Å; N63-L66 HydrophobicContact CB-CG 4.47Å; N63-L66 PolarHBondContact O-N 2.8Å; N63-L66 VanDerWaalsContact O-N 3.08Å; N63-V67 WeakPolarHBondContact O-CG2 3.31Å; N63-V67 PolarHBondContact O-N 3.47Å
64	P	95.9	Very high	91.5	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.026	26%	0.258	C	S	.	.	H	α-helix	trans	-56.1	-35.1	-178.2	-25.8	32.3	0	0	0	113.9	Y62 L66 V67 E68 V696	Y62-P64 HydrophobicContact CD1-CG 4.46Å; Y62-P64 HydrophobicContact CE1-CG 3.76Å; Y62-P64 HydrophobicContact CE2-CG 4.43Å; P64-L66 PolarHBondContact O-N 2.82Å; P64-L66 VanDerWaalsContact O-N 3.15Å; P64-V67 PolarHBondContact O-N 2.99Å; P64-E68 HydrophobicContact CB-CG 4.31Å; P64-E68 WeakPolarHBondContact O-CA 3.37Å; P64-E68 VanDerWaalsContact O-CB 3.27Å; P64-E68 WeakPolarHBondContact O-CB 3.38Å; P64-E68 PolarHBondContact O-N 2.88Å; P64-V696 HydrophobicContact CB-CG2 3.83Å; P64-V696 HydrophobicContact CG-CG2 3.89Å
65	T	93.3	Very high	91.9	Very high	84 Å²	84	47.8 Å²	47.8	52%	0.515	26%	0.256	S	S	.	.	H	α-helix	trans	-59.8	-29.6	179.6	-53.1	0	0	0	0	113	N63	N63-T65 PolarHBondContact O-N 2.9Å; N63-T65 PolarHBondContact OD1-N 3.39Å
66	L	93.3	Very high	92	Very high	62 Å²	62	46.8 Å²	46.8	33%	0.325	25%	0.251	S	S	.	.	H	α-helix	trans	-92.1	-46.7	177.8	-62.9	176	0	0	0	111.3	I55 E59 N63 P64 N69	I55-L66 HydrophobicContact CG2-CB 4.35Å; E59-L66 HydrophobicContact CG-CD1 3.68Å; E59-L66 WeakPolarHBondContact OE1-CD1 3.07Å; N63-L66 HydrophobicContact CB-CD1 4.28Å; N63-L66 HydrophobicContact CB-CG 4.47Å; N63-L66 PolarHBondContact O-N 2.8Å; N63-L66 VanDerWaalsContact O-N 3.08Å; P64-L66 PolarHBondContact O-N 2.82Å; P64-L66 VanDerWaalsContact O-N 3.15Å; L66-N69 WeakPolarHBondContact O-CB 3.5Å
67	V	94.7	Very high	92.1	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-71.1	-37.1	-174.1	172	0	0	0	0	112.5	I55 Y62 N63 P64 N69 W734 H889 V893	I55-V67 HydrophobicContact CG2-CG2 4.27Å; Y62-V67 HydrophobicContact CD2-CB 4.33Å; Y62-V67 HydrophobicContact CD2-CG1 4.48Å; Y62-V67 HydrophobicContact CD2-CG2 3.94Å; Y62-V67 HydrophobicContact CE2-CB 3.82Å; Y62-V67 HydrophobicContact CE2-CG1 3.8Å; Y62-V67 HydrophobicContact CE2-CG2 3.96Å; N63-V67 WeakPolarHBondContact O-CG2 3.31Å; N63-V67 PolarHBondContact O-N 3.47Å; P64-V67 PolarHBondContact O-N 2.99Å; V67-N69 VanDerWaalsContact C-N 3.35Å; V67-W734 HydrophobicContact CG2-CH2 4.05Å; V67-W734 HydrophobicContact CG2-CZ3 3.79Å; V67-H889 HydrophobicContact CG1-CB 4.34Å; V67-V893 HydrophobicContact CG1-CB 4.14Å; V67-V893 HydrophobicContact CG1-CG2 3.89Å; V67-V893 HydrophobicContact CG2-CG1 4.43Å
68	E	95	Very high	92.2	Very high	23 Å²	23	49.7 Å²	49.7	11%	0.107	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	18.8	-177.4	-49.2	-178.6	173.7	0	0	111.6	Y62 P64 P70 G698 A699 D700 H889	Y62-E68 PolarHBondContact OH-OE1 3.39Å; P64-E68 HydrophobicContact CB-CG 4.31Å; P64-E68 WeakPolarHBondContact O-CA 3.37Å; P64-E68 VanDerWaalsContact O-CB 3.27Å; P64-E68 WeakPolarHBondContact O-CB 3.38Å; P64-E68 PolarHBondContact O-N 2.88Å; E68-P70 WeakPolarHBondContact O-CD 3.18Å; E68-G698 WeakPolarHBondContact OE2-CA 3.49Å; E68-A699 PolarHBondContact OE1-N 2.7Å; E68-A699 PolarHBondContact OE2-N 3.27Å; E68-D700 PolarHBondContact OE1-N 3.16Å; E68-H889 HydrophobicContact CB-CB 4.28Å; E68-H889 HydrophobicContact CG-CB 3.75Å
69	N	92.2	Very high	92.3	Very high	58 Å²	58	51.8 Å²	51.8	31%	0.31	26%	0.264	S	S	.	.			trans	-63.4	128.4	176.1	-169	-49.2	0	0	0	109.6	L66 V67 N71 L72	L66-N69 WeakPolarHBondContact O-CB 3.5Å; V67-N69 VanDerWaalsContact C-N 3.35Å; N69-N71 PolarHBondContact O-N 2.92Å; N69-N71 VanDerWaalsContact O-N 3.1Å; N69-N71 VanDerWaalsContact OD1-CB 3.3Å; N69-N71 WeakPolarHBondContact OD1-CB 3.42Å; N69-N71 PolarHBondContact OD1-N 3.43Å; N69-L72 WeakPolarHBondContact O-CB 3.32Å; N69-L72 PolarHBondContact O-N 3.42Å
70	P	87.9	Confident	92.2	Very high	79 Å²	79	50.8 Å²	50.8	51%	0.513	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-28.8	177.2	-27.6	35.8	0	0	0	114	E68 L72 K74 S75	E68-P70 WeakPolarHBondContact O-CD 3.18Å; P70-L72 PolarHBondContact O-N 3.28Å; P70-L72 VanDerWaalsContact O-N 3.15Å; P70-K74 WeakPolarHBondContact O-CB 3.33Å; P70-S75 PolarHBondContact O-N 2.86Å; P70-S75 VanDerWaalsContact O-N 3.07Å
71	N	88.8	Confident	92.2	Very high	121 Å²	121	48.1 Å²	48.1	65%	0.647	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	6	175.1	-62.6	-26.2	0	0	0	113.4	R52 N69	R52-N71 PolarHBondContact NE-O 3.11Å; R52-N71 PolarHBondContact NH2-O 3.04Å; N69-N71 PolarHBondContact O-N 2.92Å; N69-N71 VanDerWaalsContact O-N 3.1Å; N69-N71 VanDerWaalsContact OD1-CB 3.3Å; N69-N71 WeakPolarHBondContact OD1-CB 3.42Å; N69-N71 PolarHBondContact OD1-N 3.43Å
72	L	91.9	Very high	92	Very high	9 Å²	9	46 Å²	46	5%	0.047	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-92.5	176.9	-172.3	66.1	0	0	0	110.8	R52 W53 I55 N69 P70 L76 V893	R52-L72 HydrophobicContact CG-CD1 3.78Å; R52-L72 PolarHBondContact NH2-O 3.4Å; W53-L72 HydrophobicContact CD2-CD1 3.98Å; W53-L72 HydrophobicContact CE3-CD1 3.79Å; W53-L72 HydrophobicContact CE3-CD2 4.41Å; W53-L72 HydrophobicContact CE3-CG 4.16Å; W53-L72 HydrophobicContact CH2-CD1 3.99Å; W53-L72 HydrophobicContact CH2-CG 3.9Å; W53-L72 HydrophobicContact CZ2-CD1 4.14Å; W53-L72 HydrophobicContact CZ2-CG 4.49Å; W53-L72 HydrophobicContact CZ3-CD1 3.82Å; W53-L72 HydrophobicContact CZ3-CD2 4.1Å; W53-L72 HydrophobicContact CZ3-CG 3.71Å; I55-L72 HydrophobicContact CD1-CD1 4.47Å; I55-L72 HydrophobicContact CD1-CD2 3.4Å; I55-L72 VanDerWaalsContact CD1-CD2 3.4Å; N69-L72 WeakPolarHBondContact O-CB 3.32Å; N69-L72 PolarHBondContact O-N 3.42Å; P70-L72 PolarHBondContact O-N 3.28Å; P70-L72 VanDerWaalsContact O-N 3.15Å; L72-L76 PolarHBondContact O-N 2.85Å; L72-L76 VanDerWaalsContact O-N 3.15Å; L72-V893 HydrophobicContact CD2-CG2 3.46Å; L72-V893 VanDerWaalsContact CD2-CG2 3.46Å; L72-V893 HydrophobicContact CG-CG2 4.46Å
73	C	92.5	Very high	92	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.8	-47.2	-173.3	-57.3	0	0	0	0	111.9	S75 L76 W77	C73-S75 PolarHBondContact O-N 2.85Å; C73-L76 WeakPolarHBondContact O-CB 3.36Å; C73-L76 PolarHBondContact O-N 2.95Å; C73-W77 HydrophobicContact CB-CD2 4.4Å; C73-W77 HydrophobicContact CB-CH2 3.73Å; C73-W77 HydrophobicContact CB-CZ2 3.58Å; C73-W77 HydrophobicContact CB-CZ3 4.21Å; C73-W77 VanDerWaalsContact O-CD2 3.3Å; C73-W77 VanDerWaalsContact O-CG 3.24Å; C73-W77 PolarHBondContact O-N 3.21Å
74	K	90.6	Very high	91.9	Very high	45 Å²	45	46.1 Å²	46.1	20%	0.196	24%	0.24	C	C	.	.	H	α-helix	trans	-60	-47	179.3	172.8	171.4	179.4	171.1	0	111.9	P70 L76 W77 D78 N215	P70-K74 WeakPolarHBondContact O-CB 3.33Å; K74-L76 PolarHBondContact O-N 2.95Å; K74-W77 HydrophobicContact CB-CE3 4.45Å; K74-W77 PolarHBondContact O-N 3.32Å; K74-W77 VanDerWaalsContact O-N 3.14Å; K74-D78 WeakPolarHBondContact CE-OD2 3.46Å; K74-D78 WeakPolarHBondContact CG-OD2 3.42Å; K74-D78 WeakPolarHBondContact O-CB 3.42Å; K74-D78 VanDerWaalsContact O-CG 3.28Å; K74-D78 PolarHBondContact O-N 2.98Å; K74-N215 PolarHBondContact NZ-ND2 3.36Å; K74-N215 PolarHBondContact NZ-OD1 3.3Å
75	S	91.1	Very high	91.7	Very high	36 Å²	36	46.1 Å²	46.1	25%	0.252	24%	0.24	S	C	.	.	H	α-helix	trans	-59.8	-30.2	175	165.1	0	0	0	0	113.6	R52 P70 C73 R79	R52-S75 PolarHBondContact NH2-OG 3.46Å; P70-S75 PolarHBondContact O-N 2.86Å; P70-S75 VanDerWaalsContact O-N 3.07Å; C73-S75 PolarHBondContact O-N 2.85Å; S75-R79 WeakPolarHBondContact O-CB 3.46Å; S75-R79 WeakPolarHBondContact O-CG 3.46Å; S75-R79 PolarHBondContact O-N 3.28Å; S75-R79 PolarHBondContact O-NE 2.83Å
76	L	91.8	Very high	91.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-68.3	-53.4	170.2	175.3	68.5	0	0	0	110.9	W53 L72 C73 K74 D78 R79 L80	W53-L76 HydrophobicContact CH2-CD2 3.99Å; W53-L76 HydrophobicContact CZ2-CB 4.1Å; W53-L76 HydrophobicContact CZ2-CD2 3.66Å; W53-L76 HydrophobicContact CZ2-CG 4.37Å; L72-L76 PolarHBondContact O-N 2.85Å; L72-L76 VanDerWaalsContact O-N 3.15Å; C73-L76 WeakPolarHBondContact O-CB 3.36Å; C73-L76 PolarHBondContact O-N 2.95Å; K74-L76 PolarHBondContact O-N 2.95Å; L76-D78 VanDerWaalsContact C-N 3.34Å; L76-D78 PolarHBondContact O-N 3.49Å; L76-R79 PolarHBondContact O-N 3.45Å; L76-L80 HydrophobicContact CD1-CD1 3.75Å; L76-L80 HydrophobicContact CD1-CG 4.19Å; L76-L80 HydrophobicContact CG-CD1 3.96Å; L76-L80 WeakPolarHBondContact O-CG 3.39Å; L76-L80 PolarHBondContact O-N 3.4Å; L76-L80 VanDerWaalsContact O-N 3.08Å
77	W	93.3	Very high	91.2	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.015	24%	0.244	C	C	.	.	H	α-helix	trans	-60.8	-40.6	-176.7	-55.4	-30.9	0	0	0	113	C73 K74 L80 Q81 L82 F83 P888 H889 E892	C73-W77 HydrophobicContact CB-CD2 4.4Å; C73-W77 HydrophobicContact CB-CH2 3.73Å; C73-W77 HydrophobicContact CB-CZ2 3.58Å; C73-W77 HydrophobicContact CB-CZ3 4.21Å; C73-W77 VanDerWaalsContact O-CD2 3.3Å; C73-W77 VanDerWaalsContact O-CG 3.24Å; C73-W77 PolarHBondContact O-N 3.21Å; K74-W77 HydrophobicContact CB-CE3 4.45Å; K74-W77 PolarHBondContact O-N 3.32Å; K74-W77 VanDerWaalsContact O-N 3.14Å; W77-L80 PolarHBondContact O-N 2.83Å; W77-Q81 PolarHBondContact O-N 3.39Å; W77-L82 HydrophobicContact CB-CD1 4.33Å; W77-L82 HydrophobicContact CG-CD1 4.34Å; W77-L82 PolarHBondContact O-N 2.86Å; W77-F83 HydrophobicContact CB-CE1 4.31Å; W77-F83 HydrophobicContact CB-CE2 3.93Å; W77-F83 HydrophobicContact CB-CZ 3.6Å; W77-F83 AromaticContact CD2-CZ 3.9Å; W77-F83 HydrophobicContact CD2-CZ 3.9Å; W77-F83 HydrophobicContact CE3-CE2 4.3Å; W77-F83 AromaticContact CE3-CZ 3.78Å; W77-F83 HydrophobicContact CE3-CZ 3.78Å; W77-F83 AromaticContact CG-CZ 3.86Å; W77-F83 HydrophobicContact CG-CZ 3.86Å; W77-P888 HydrophobicContact CH2-CB 3.87Å; W77-P888 HydrophobicContact CH2-CG 4.29Å; W77-P888 HydrophobicContact CZ2-CB 4.03Å; W77-H889 AromaticContact CH2-CD2 3.99Å; W77-E892 PolarHBondContact NE1-OE2 2.99Å
78	D	90.8	Very high	90.8	Very high	78 Å²	78	51.4 Å²	51.4	42%	0.417	26%	0.261	S	S	.	.	H	α-helix	trans	-65.4	-44.5	178.8	-70.3	-15.2	0	0	0	111.3	K74 L76 L80 Q81	K74-D78 WeakPolarHBondContact CE-OD2 3.46Å; K74-D78 WeakPolarHBondContact CG-OD2 3.42Å; K74-D78 WeakPolarHBondContact O-CB 3.42Å; K74-D78 VanDerWaalsContact O-CG 3.28Å; K74-D78 PolarHBondContact O-N 2.98Å; L76-D78 VanDerWaalsContact C-N 3.34Å; L76-D78 PolarHBondContact O-N 3.49Å; D78-L80 VanDerWaalsContact C-N 3.33Å; D78-L80 PolarHBondContact O-N 3.29Å; D78-Q81 PolarHBondContact O-N 3.44Å; D78-Q81 VanDerWaalsContact O-N 3.13Å
79	R	89.7	Confident	90.4	Very high	114 Å²	114	50.6 Å²	50.6	43%	0.43	26%	0.257	S	S	.	.	H	α-helix	trans	-64.6	-37.9	177.8	-74.2	-178.3	-52.9	134.1	7.2	112.5	S75 L76 Q81 E913	S75-R79 WeakPolarHBondContact O-CB 3.46Å; S75-R79 WeakPolarHBondContact O-CG 3.46Å; S75-R79 PolarHBondContact O-N 3.28Å; S75-R79 PolarHBondContact O-NE 2.83Å; L76-R79 PolarHBondContact O-N 3.45Å; R79-Q81 PolarHBondContact O-N 2.88Å; R79-E913 IonicContact CZ-OE1 3.07Å; R79-E913 IonicContact CZ-OE2 2.69Å; R79-E913 IonicContact NH1-OE1 3.49Å; R79-E913 PolarHBondContact NH1-OE1 3.44Å; R79-E913 IonicContact NH1-OE2 3.8Å; R79-E913 PolarHBondContact NH1-OE2 3.42Å; R79-E913 IonicContact NH2-OE1 3.99Å; R79-E913 PolarHBondContact NH2-OE1 2.87Å; R79-E913 IonicContact NH2-OE2 2.76Å; R79-E913 PolarHBondContact NH2-OE2 3.03Å
80	L	90.2	Very high	90.1	Very high	40 Å²	40	52 Å²	52	21%	0.209	28%	0.277	C	S	.	.	H	α-helix	trans	-77.4	-10.1	176.8	-67.3	178.3	0	0	0	113.2	L76 W77 D78 L82 E913	L76-L80 HydrophobicContact CD1-CD1 3.75Å; L76-L80 HydrophobicContact CD1-CG 4.19Å; L76-L80 HydrophobicContact CG-CD1 3.96Å; L76-L80 WeakPolarHBondContact O-CG 3.39Å; L76-L80 PolarHBondContact O-N 3.4Å; L76-L80 VanDerWaalsContact O-N 3.08Å; W77-L80 PolarHBondContact O-N 2.83Å; D78-L80 VanDerWaalsContact C-N 3.33Å; D78-L80 PolarHBondContact O-N 3.29Å; L80-L82 HydrophobicContact CB-CD1 4.3Å; L80-L82 HydrophobicContact CB-CD2 3.66Å; L80-L82 HydrophobicContact CB-CG 3.63Å; L80-L82 HydrophobicContact CD1-CD1 4.15Å; L80-L82 HydrophobicContact CD1-CD2 4.21Å; L80-L82 HydrophobicContact CD1-CG 4.31Å; L80-L82 PolarHBondContact O-N 3.44Å; L80-E913 VanDerWaalsContact CD1-O 3.28Å; L80-E913 WeakPolarHBondContact CD1-O 3.25Å; L80-E913 HydrophobicContact CD2-CB 4.42Å; L80-E913 VanDerWaalsContact CD2-O 3.3Å; L80-E913 WeakPolarHBondContact CD2-O 3.48Å
81	Q	90.3	Very high	89.9	Confident	123 Å²	123	54 Å²	54	58%	0.575	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	36.1	-177.3	-59	-178.8	-10.8	0	0	113	W77 D78 R79 F83 N84	W77-Q81 PolarHBondContact O-N 3.39Å; D78-Q81 PolarHBondContact O-N 3.44Å; D78-Q81 VanDerWaalsContact O-N 3.13Å; R79-Q81 PolarHBondContact O-N 2.88Å; Q81-F83 PolarHBondContact O-N 2.96Å; Q81-F83 VanDerWaalsContact O-N 3.08Å; Q81-N84 PolarHBondContact O-N 3.15Å; Q81-N84 VanDerWaalsContact O-N 3.16Å
82	L	90	Very high	89.6	Confident	37 Å²	37	51.7 Å²	51.7	19%	0.194	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-22	-171	-61.4	-179.9	0	0	0	114.3	W77 L80 L917 T918	W77-L82 HydrophobicContact CB-CD1 4.33Å; W77-L82 HydrophobicContact CG-CD1 4.34Å; W77-L82 PolarHBondContact O-N 2.86Å; L80-L82 HydrophobicContact CB-CD1 4.3Å; L80-L82 HydrophobicContact CB-CD2 3.66Å; L80-L82 HydrophobicContact CB-CG 3.63Å; L80-L82 HydrophobicContact CD1-CD1 4.15Å; L80-L82 HydrophobicContact CD1-CD2 4.21Å; L80-L82 HydrophobicContact CD1-CG 4.31Å; L80-L82 PolarHBondContact O-N 3.44Å; L82-L917 HydrophobicContact CB-CD2 4.21Å; L82-L917 HydrophobicContact CD1-CB 4.3Å; L82-L917 HydrophobicContact CD1-CD2 4.09Å; L82-T918 HydrophobicContact CD1-CG2 4.41Å; L82-T918 HydrophobicContact CD2-CG2 3.51Å
83	F	93.5	Very high	88.9	Confident	15 Å²	15	57.4 Å²	57.4	7%	0.066	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-10.4	-175.6	-49.5	-30.9	0	0	0	112.9	W77 Q81 R130 C220 L917	W77-F83 HydrophobicContact CB-CE1 4.31Å; W77-F83 HydrophobicContact CB-CE2 3.93Å; W77-F83 HydrophobicContact CB-CZ 3.6Å; W77-F83 AromaticContact CD2-CZ 3.9Å; W77-F83 HydrophobicContact CD2-CZ 3.9Å; W77-F83 HydrophobicContact CE3-CE2 4.3Å; W77-F83 AromaticContact CE3-CZ 3.78Å; W77-F83 HydrophobicContact CE3-CZ 3.78Å; W77-F83 AromaticContact CG-CZ 3.86Å; W77-F83 HydrophobicContact CG-CZ 3.86Å; Q81-F83 PolarHBondContact O-N 2.96Å; Q81-F83 VanDerWaalsContact O-N 3.08Å; F83-R130 PolarHBondContact O-NH2 3.28Å; F83-C220 HydrophobicContact CD1-CB 3.46Å; F83-C220 VanDerWaalsContact CD1-CB 3.46Å; F83-C220 HydrophobicContact CD2-CB 4.28Å; F83-C220 HydrophobicContact CE1-CB 3.34Å; F83-C220 HydrophobicContact CE2-CB 4.19Å; F83-C220 HydrophobicContact CG-CB 3.95Å; F83-C220 HydrophobicContact CZ-CB 3.73Å; F83-L917 HydrophobicContact CD1-CD2 4.25Å; F83-L917 HydrophobicContact CE1-CD2 3.63Å
84	N	92.9	Very high	88.1	Confident	37 Å²	37	64.5 Å²	64.5	20%	0.198	34%	0.34	C	S	.	.			trans	-91.6	118.2	175.8	-175.2	-35.5	0	0	0	109.6	Q81 D86	Q81-N84 PolarHBondContact O-N 3.15Å; Q81-N84 VanDerWaalsContact O-N 3.16Å; N84-D86 VanDerWaalsContact C-N 3.3Å; N84-D86 PolarHBondContact O-N 2.9Å; N84-D86 WeakPolarHBondContact OD1-CB 3.36Å; N84-D86 PolarHBondContact OD1-N 3.36Å; N84-D86 PolarHBondContact OD1-OD2 2.77Å; N84-D86 VanDerWaalsContact OD1-OD2 3.11Å
85	P	92.1	Very high	87.6	Confident	4 Å²	4	64.3 Å²	64.3	3%	0.026	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-15.4	-178	33.4	-38.6	0	0	0	113.9	K87 T88 L89 T135 L137 F615	P85-K87 PolarHBondContact O-N 2.95Å; P85-T88 PolarHBondContact O-N 2.9Å; P85-L89 HydrophobicContact CB-CD1 4.04Å; P85-L89 HydrophobicContact CB-CG 4.45Å; P85-L89 HydrophobicContact CG-CD1 4.46Å; P85-L89 WeakPolarHBondContact O-CG 3.24Å; P85-L89 PolarHBondContact O-N 3.08Å; P85-T135 HydrophobicContact CB-CG2 3.53Å; P85-L137 HydrophobicContact CG-CB 4.14Å; P85-L137 HydrophobicContact CG-CD1 3.91Å; P85-L137 HydrophobicContact CG-CG 4.48Å; P85-F615 HydrophobicContact CG-CE1 4.11Å; P85-F615 HydrophobicContact CG-CZ 4.01Å
86	D	90.3	Very high	87.3	Confident	55 Å²	55	65.8 Å²	65.8	29%	0.294	35%	0.35	S	S	.	.	H	α-helix	trans	-59.6	-34.9	-170.8	-64.4	-29.8	0	0	0	112.3	N84 L89 A90 R225	N84-D86 VanDerWaalsContact C-N 3.3Å; N84-D86 PolarHBondContact O-N 2.9Å; N84-D86 WeakPolarHBondContact OD1-CB 3.36Å; N84-D86 PolarHBondContact OD1-N 3.36Å; N84-D86 PolarHBondContact OD1-OD2 2.77Å; N84-D86 VanDerWaalsContact OD1-OD2 3.11Å; D86-L89 PolarHBondContact O-N 2.85Å; D86-A90 VanDerWaalsContact O-CB 3.31Å; D86-A90 WeakPolarHBondContact O-CB 3.46Å; D86-A90 PolarHBondContact O-N 3.26Å; D86-R225 IonicContact OD1-CZ 2.74Å; D86-R225 IonicContact OD1-NH1 3.18Å; D86-R225 IonicContact OD1-NH2 2.8Å; D86-R225 PolarHBondContact OD1-NH2 3.49Å; D86-R225 IonicContact OD2-CZ 3.73Å; D86-R225 IonicContact OD2-NH1 2.74Å; D86-R225 PolarHBondContact OD2-NH1 3.06Å; D86-R225 IonicContact OD2-NH2 2.89Å; D86-R225 PolarHBondContact OD2-NH2 3.06Å; D86-R225 VanDerWaalsContact OD2-NH2 3.15Å
87	K	85.5	Confident	87.3	Confident	142 Å²	142	67.5 Å²	67.5	62%	0.617	36%	0.359	S	S	*	.	H	α-helix	trans	-64.7	-42.2	176.8	-174.6	176.9	177.1	-178.3	0	112.1	P85	P85-K87 PolarHBondContact O-N 2.95Å
88	T	86	Confident	87.4	Confident	59 Å²	59	67.5 Å²	67.5	36%	0.362	36%	0.359	S	S	.	.	H	α-helix	trans	-71.3	-38.6	177	-50	0	0	0	0	111	P85 A90 T91 N92 T135	P85-T88 PolarHBondContact O-N 2.9Å; T88-A90 VanDerWaalsContact C-N 3.32Å; T88-A90 PolarHBondContact O-N 3.19Å; T88-T91 PolarHBondContact O-N 2.95Å; T88-T91 PolarHBondContact O-OG1 2.94Å; T88-N92 PolarHBondContact O-N 2.72Å; T88-T135 VanDerWaalsContact CG2-OG1 3.28Å; T88-T135 WeakPolarHBondContact CG2-OG1 3.3Å
89	L	87.1	Confident	87.7	Confident	7 Å²	7	64 Å²	64	4%	0.037	34%	0.34	C	S	.	.	H	α-helix	trans	-73.5	-24.9	-179.8	-65.4	175	0	0	0	113.4	P85 D86 T91 N92 H93 I97 T135 F615	P85-L89 HydrophobicContact CB-CD1 4.04Å; P85-L89 HydrophobicContact CB-CG 4.45Å; P85-L89 HydrophobicContact CG-CD1 4.46Å; P85-L89 WeakPolarHBondContact O-CG 3.24Å; P85-L89 PolarHBondContact O-N 3.08Å; D86-L89 PolarHBondContact O-N 2.85Å; L89-T91 VanDerWaalsContact C-N 3.33Å; L89-N92 CarbonylContact O-C 3.59Å; L89-H93 WeakPolarHBondContact O-CA 3.48Å; L89-I97 HydrophobicContact CD1-CD1 4.39Å; L89-I97 HydrophobicContact CD2-CD1 4.29Å; L89-I97 HydrophobicContact CD2-CG1 4.3Å; L89-T135 HydrophobicContact CD1-CG2 4.21Å; L89-T135 HydrophobicContact CD2-CG2 3.73Å; L89-T135 HydrophobicContact CG-CG2 3.9Å; L89-F615 HydrophobicContact CD1-CE1 3.69Å; L89-F615 HydrophobicContact CD1-CZ 3.52Å
90	A	86.2	Confident	88.1	Confident	88 Å²	88	58.5 Å²	58.5	73%	0.727	32%	0.32	S	S	*	.	H	α-helix	trans	-68.6	-31.5	171.9	0	0	0	0	0	112.4	D86 T88	D86-A90 VanDerWaalsContact O-CB 3.31Å; D86-A90 WeakPolarHBondContact O-CB 3.46Å; D86-A90 PolarHBondContact O-N 3.26Å; T88-A90 VanDerWaalsContact C-N 3.32Å; T88-A90 PolarHBondContact O-N 3.19Å
91	T	84.2	Confident	88.4	Confident	120 Å²	120	56.6 Å²	56.6	74%	0.736	31%	0.31	S	S	*	.	H	α-helix	trans	-87.7	-34.7	177.5	56.3	0	0	0	0	112.5	T88 L89	T88-T91 PolarHBondContact O-N 2.95Å; T88-T91 PolarHBondContact O-OG1 2.94Å; L89-T91 VanDerWaalsContact C-N 3.33Å
92	N	81.8	Confident	88.7	Confident	72 Å²	72	50.9 Å²	50.9	39%	0.385	28%	0.283	S	S	.	.			trans	-133	91.3	-179.8	-171.8	10	0	0	0	111.6	T88 L89 N94 E95	T88-N92 PolarHBondContact O-N 2.72Å; L89-N92 CarbonylContact O-C 3.59Å; N92-N94 VanDerWaalsContact C-N 3.3Å; N92-N94 PolarHBondContact O-N 3.39Å; N92-E95 HydrophobicContact CB-CB 4.39Å; N92-E95 PolarHBondContact ND2-OE2 2.83Å; N92-E95 PolarHBondContact O-N 2.78Å
93	H	77.7	Confident	89	Confident	130 Å²	130	50 Å²	50	60%	0.602	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-31.8	-172.9	-165	-77.2	0	0	0	113.7	L89 R614	L89-H93 WeakPolarHBondContact O-CA 3.48Å; H93-R614 PolarHBondContact O-NH2 3.36Å
94	N	76.3	Confident	89.1	Confident	149 Å²	149	49.9 Å²	49.9	80%	0.797	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	16.6	-172.8	-69.2	-9.6	0	0	0	113.7	N92	N92-N94 VanDerWaalsContact C-N 3.3Å; N92-N94 PolarHBondContact O-N 3.39Å
95	E	78.1	Confident	89.2	Confident	41 Å²	41	48.3 Å²	48.3	19%	0.192	27%	0.272	C	S	.	.			trans	-69.1	144.1	-179.3	-156.2	171.8	127	0	0	112.5	N92 I97 T135	N92-E95 HydrophobicContact CB-CB 4.39Å; N92-E95 PolarHBondContact ND2-OE2 2.83Å; N92-E95 PolarHBondContact O-N 2.78Å; E95-I97 WeakPolarHBondContact O-CG1 3.41Å; E95-I97 PolarHBondContact O-N 2.72Å; E95-T135 WeakPolarHBondContact OE1-CB 3.42Å; E95-T135 PolarHBondContact OE1-N 3.3Å; E95-T135 VanDerWaalsContact OE1-N 3.09Å; E95-T135 PolarHBondContact OE1-OG1 2.86Å
96	S	85.2	Confident	89.3	Confident	67 Å²	67	51 Å²	51	47%	0.469	29%	0.286	S	S	.	.			trans	-65.7	125.1	173.8	179.6	0	0	0	0	110.5
97	I	92.5	Very high	89.5	Confident	36 Å²	36	48.4 Å²	48.4	19%	0.185	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	137.3	-175.8	-50.3	172.4	0	0	0	111.3	L89 E95 T135 R614 F615	L89-I97 HydrophobicContact CD1-CD1 4.39Å; L89-I97 HydrophobicContact CD2-CD1 4.29Å; L89-I97 HydrophobicContact CD2-CG1 4.3Å; E95-I97 WeakPolarHBondContact O-CG1 3.41Å; E95-I97 PolarHBondContact O-N 2.72Å; I97-T135 CarbonylContact C-O 3.38Å; I97-T135 WeakPolarHBondContact CA-O 3.49Å; I97-T135 HydrophobicContact CG2-CG2 4.47Å; I97-R614 HydrophobicContact CD1-CG 4.3Å; I97-F615 HydrophobicContact CD1-CD1 4.07Å; I97-F615 HydrophobicContact CD1-CE1 4Å; I97-F615 HydrophobicContact CG2-CD1 3.67Å; I97-F615 HydrophobicContact CG2-CE1 3.91Å
98	V	95.1	Very high	89.7	Confident	3 Å²	3	43 Å²	43	2%	0.018	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	96.2	171	-179.1	0	0	0	0	107.5	Y129 K134 T135 V136 L137 R619	V98-Y129 HydrophobicContact CB-CD1 4.33Å; V98-Y129 HydrophobicContact CG1-CD1 4.15Å; V98-Y129 HydrophobicContact CG1-CE1 4.45Å; V98-Y129 HydrophobicContact CG1-CG 4.29Å; V98-Y129 HydrophobicContact CG2-CD1 3.39Å; V98-Y129 HydrophobicContact CG2-CE1 3.89Å; V98-Y129 HydrophobicContact CG2-CG 4.14Å; V98-K134 HydrophobicContact CG2-CB 4.1Å; V98-T135 PolarHBondContact N-O 2.73Å; V98-V136 HydrophobicContact CB-CG1 4.47Å; V98-V136 HydrophobicContact CB-CG2 4.12Å; V98-V136 WeakPolarHBondContact O-CA 3.35Å; V98-L137 PolarHBondContact O-N 3.27Å; V98-R619 HydrophobicContact CG1-CB 4.07Å; V98-R619 HydrophobicContact CG1-CG 4.1Å
99	S	96.6	Very high	89.7	Confident	4 Å²	4	40.7 Å²	40.7	3%	0.028	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	135.9	178.5	50.2	0	0	0	0	111.2	L137 F615 P617 L618 R619	S99-L137 CarbonylContact C-O 3.55Å; S99-L137 WeakPolarHBondContact CA-O 3.46Å; S99-F615 WeakPolarHBondContact CB-O 3.36Å; S99-F615 PolarHBondContact OG-O 3.13Å; S99-P617 PolarHBondContact OG-O 3.13Å; S99-L618 WeakPolarHBondContact OG-CA 3.42Å; S99-R619 PolarHBondContact O-N 3.42Å
100	M	97.8	Very high	89.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	154.6	177.7	-60.3	-178.1	-64.1	0	0	109.6	I125 A126 V136 L137 W138 V139 L620	M100-I125 HydrophobicContact CE-CG2 4.33Å; M100-I125 HydrophobicContact SD-CG2 3.96Å; M100-A126 HydrophobicContact CE-CB 3.64Å; M100-V136 HydrophobicContact CE-CG1 4.19Å; M100-L137 PolarHBondContact N-O 3.03Å; M100-W138 HydrophobicContact CB-CG 4.47Å; M100-W138 HydrophobicContact CE-CB 4.31Å; M100-W138 HydrophobicContact CE-CG 4.3Å; M100-W138 WeakPolarHBondContact O-CA 3.49Å; M100-V139 PolarHBondContact O-N 3.04Å; M100-L620 HydrophobicContact CG-CD1 3.94Å; M100-L620 HydrophobicContact CG-CG 3.91Å; M100-L620 HydrophobicContact SD-CD1 3.39Å; M100-L620 WeakPolarHBondContact SD-CD1 3.38Å; M100-L620 HydrophobicContact SD-CD2 4.13Å; M100-L620 HydrophobicContact SD-CG 3.71Å
101	I	97.1	Very high	90.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.9	166.8	64.9	177.5	0	0	0	108.9	P103 Q122 V139 L599 P600 L618 L621 M635	I101-P103 WeakPolarHBondContact O-CD 3.24Å; I101-Q122 PolarHBondContact O-OE1 3.04Å; I101-V139 HydrophobicContact CG2-CB 4.3Å; I101-L599 HydrophobicContact CD1-CB 3.98Å; I101-P600 HydrophobicContact CD1-CG 4.49Å; I101-L618 HydrophobicContact CB-CD1 4.41Å; I101-L618 HydrophobicContact CD1-CD1 4.04Å; I101-L618 HydrophobicContact CG1-CD1 3.8Å; I101-L618 HydrophobicContact CG2-CD1 4Å; I101-L618 HydrophobicContact CG2-CD2 4.05Å; I101-L621 HydrophobicContact CD1-CD1 4.46Å; I101-L621 HydrophobicContact CG1-CD1 3.87Å; I101-M635 HydrophobicContact CD1-CE 4.15Å
102	L	97.3	Very high	90.7	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	20%	0.2	C	C	.	.			trans	-67.9	126.4	166.1	176.4	67.3	0	0	0	108	P104 W138 V139 L214 L221	L102-P104 WeakPolarHBondContact O-CD 3.37Å; L102-W138 HydrophobicContact CB-CZ2 4.41Å; L102-W138 HydrophobicContact CD1-CZ2 3.87Å; L102-V139 PolarHBondContact N-O 2.75Å; L102-L214 HydrophobicContact CD2-CD1 3.98Å; L102-L214 HydrophobicContact CD2-CD2 4.17Å; L102-L221 HydrophobicContact CB-CD2 4.15Å; L102-L221 HydrophobicContact CD2-CD1 4.3Å; L102-L221 HydrophobicContact CD2-CD2 4.24Å
103	P	95.7	Very high	91.2	Very high	19 Å²	19	33 Å²	33	12%	0.123	18%	0.182	C	C	.	.			trans	-50.5	113.3	167.5	-30.4	37	0	0	0	109.5	I101 P105 T118 L621 E622 W631	I101-P103 WeakPolarHBondContact O-CD 3.24Å; P103-P105 VanDerWaalsContact O-CD 3.28Å; P103-P105 WeakPolarHBondContact O-CD 3.28Å; P103-T118 HydrophobicContact CB-CG2 4.42Å; P103-T118 HydrophobicContact CG-CG2 3.79Å; P103-L621 HydrophobicContact CG-CD1 4.37Å; P103-E622 WeakPolarHBondContact CG-O 3.4Å; P103-W631 HydrophobicContact CB-CH2 4.03Å; P103-W631 HydrophobicContact CB-CZ3 3.78Å; P103-W631 HydrophobicContact CG-CZ3 4.18Å
104	P	95.7	Very high	92	Very high	12 Å²	12	27.3 Å²	27.3	8%	0.078	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-67	122.9	-166	26.7	-34.4	0	0	0	109	L102 N106 D143 F227 L599 W631	L102-P104 WeakPolarHBondContact O-CD 3.37Å; P104-N106 PolarHBondContact O-N 3.39Å; P104-D143 HydrophobicContact CB-CB 4.15Å; P104-D143 HydrophobicContact CG-CB 4.07Å; P104-F227 HydrophobicContact CB-CE2 3.75Å; P104-F227 HydrophobicContact CB-CZ 3.85Å; P104-F227 HydrophobicContact CG-CE2 4.1Å; P104-F227 HydrophobicContact CG-CZ 4.2Å; P104-L599 HydrophobicContact CG-CD1 3.66Å; P104-W631 HydrophobicContact CG-CH2 4.4Å; P104-W631 HydrophobicContact CG-CZ2 4.14Å
105	P	95.4	Very high	92.9	Very high	4 Å²	4	22.6 Å²	22.6	3%	0.026	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-64.1	141.7	175.6	-20.5	33	0	0	0	111	P103 L111 G141 D143 I210	P103-P105 VanDerWaalsContact O-CD 3.28Å; P103-P105 WeakPolarHBondContact O-CD 3.28Å; P105-L111 HydrophobicContact CB-CD2 3.49Å; P105-L111 VanDerWaalsContact CB-CD2 3.49Å; P105-L111 HydrophobicContact CG-CD1 4.35Å; P105-L111 HydrophobicContact CG-CD2 4.15Å; P105-G141 WeakPolarHBondContact CD-O 3.31Å; P105-D143 PolarHBondContact O-N 2.91Å; P105-I210 HydrophobicContact CB-CG2 4.36Å; P105-I210 HydrophobicContact CG-CG2 4.27Å
106	N	94.4	Very high	93.7	Very high	61 Å²	61	20.7 Å²	20.7	33%	0.326	12%	0.122	S	C	.	.	B	Isolated β-bridge	trans	-71.5	138	175.7	-63.8	-17.6	0	0	0	110.2	P104 T108 A145	P104-N106 PolarHBondContact O-N 3.39Å; N106-T108 HydrophobicContact CB-CG2 3.77Å; N106-T108 PolarHBondContact O-N 2.79Å; N106-T108 PolarHBondContact O-OG1 3.32Å; N106-A145 HydrophobicContact CB-CB 3.64Å; N106-A145 VanDerWaalsContact CG-CB 3.48Å
107	I	94.1	Very high	94.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-72.6	43.6	174.7	61	168.9	0	0	0	113.6	M142 D143 T149 W202 K203 I210 F228 W532	I107-M142 HydrophobicContact CG2-CB 4.21Å; I107-D143 PolarHBondContact N-O 3.15Å; I107-T149 HydrophobicContact CD1-CG2 3.84Å; I107-T149 HydrophobicContact CG1-CG2 3.79Å; I107-T149 WeakPolarHBondContact CG1-OG1 3.29Å; I107-W202 PolarHBondContact O-NE1 2.96Å; I107-K203 HydrophobicContact CD1-CB 3.65Å; I107-K203 HydrophobicContact CD1-CG 3.7Å; I107-K203 HydrophobicContact CG2-CG 4.35Å; I107-I210 HydrophobicContact CG2-CD1 4.41Å; I107-F228 HydrophobicContact CD1-CE2 4.2Å; I107-F228 HydrophobicContact CD1-CZ 3.99Å; I107-F228 HydrophobicContact CG2-CE2 4.25Å; I107-W532 HydrophobicContact CD1-CZ2 4.11Å
108	T	89.9	Confident	94.4	Very high	29 Å²	29	16.6 Å²	16.6	18%	0.178	10%	0.096	C	C	.	.	S	Bend	trans	-101.9	1.9	-172.5	56.2	0	0	0	0	113.6	N106 A145 A148 I152 K667	N106-T108 HydrophobicContact CB-CG2 3.77Å; N106-T108 PolarHBondContact O-N 2.79Å; N106-T108 PolarHBondContact O-OG1 3.32Å; T108-A145 HydrophobicContact CG2-CB 4.49Å; T108-A148 HydrophobicContact CG2-CB 3.99Å; T108-I152 VanDerWaalsContact CB-CD1 3.45Å; T108-I152 HydrophobicContact CG2-CD1 3.83Å; T108-I152 WeakPolarHBondContact O-CD1 3.25Å; T108-K667 PolarHBondContact O-NZ 3.18Å
109	G	86.4	Confident	94.5	Very high	10 Å²	10	16.5 Å²	16.5	10%	0.103	10%	0.096	C	C	.	.	S	Bend	trans	139.3	-160.8	-177.9	0	0	0	0	0	111.9	H206	G109-H206 VanDerWaalsContact CA-CD2 3.46Å; G109-H206 WeakPolarHBondContact CA-CD2 3.39Å
110	T	91.1	Very high	94.6	Very high	63 Å²	63	16.3 Å²	16.3	39%	0.387	9%	0.094	S	C	.	.			trans	-70.9	147.1	177.6	52.5	0	0	0	0	112.6
111	L	93.7	Very high	94.5	Very high	9 Å²	9	16.3 Å²	16.3	5%	0.047	9%	0.094	C	C	.	.			trans	-69.5	151.8	174.1	-52.3	-171.3	0	0	0	110.9	P105 H115 I210 Q213 L214 P675	P105-L111 HydrophobicContact CB-CD2 3.49Å; P105-L111 VanDerWaalsContact CB-CD2 3.49Å; P105-L111 HydrophobicContact CG-CD1 4.35Å; P105-L111 HydrophobicContact CG-CD2 4.15Å; L111-H115 HydrophobicContact CB-CB 4.1Å; L111-H115 HydrophobicContact CD1-CB 4.24Å; L111-I210 HydrophobicContact CD1-CG2 4.26Å; L111-I210 HydrophobicContact CD2-CG1 4.05Å; L111-I210 HydrophobicContact CG-CG1 4.3Å; L111-Q213 HydrophobicContact CD1-CB 4.21Å; L111-Q213 HydrophobicContact CG-CB 4.47Å; L111-Q213 PolarHBondContact O-NE2 3Å; L111-Q213 VanDerWaalsContact O-NE2 3.1Å; L111-L214 HydrophobicContact CD1-CD2 4.01Å; L111-L214 HydrophobicContact CD1-CG 4.2Å; L111-P675 WeakPolarHBondContact O-CD 3.26Å
112	H	92.4	Very high	94.6	Very high	55 Å²	55	16.3 Å²	16.3	26%	0.255	9%	0.094	S	C	.	.			trans	-116.5	173.9	174.3	61.8	88.4	0	0	0	111	G114 H115 A116 V673	H112-G114 PolarHBondContact ND1-N 3.27Å; H112-G114 VanDerWaalsContact ND1-N 3.13Å; H112-G114 PolarHBondContact O-N 3.03Å; H112-H115 AromaticContact CD2-CE1 3.43Å; H112-H115 PolarHBondContact CD2-CE1 3.32Å; H112-H115 VanDerWaalsContact CD2-CE1 3.43Å; H112-H115 AromaticContact CD2-ND1 3.3Å; H112-H115 PolarHBondContact CD2-ND1 2.9Å; H112-H115 VanDerWaalsContact CD2-ND1 3.3Å; H112-H115 AromaticContact CE1-ND1 3.68Å; H112-H115 AromaticContact CG-ND1 3.79Å; H112-H115 AromaticContact NE2-CE1 3.18Å; H112-H115 PolarHBondContact NE2-CE1 2.98Å; H112-H115 AromaticContact NE2-ND1 3.22Å; H112-H115 PolarHBondContact NE2-ND1 2.74Å; H112-H115 WeakPolarHBondContact O-CB 3.39Å; H112-H115 PolarHBondContact O-N 2.89Å; H112-A116 PolarHBondContact O-N 3.25Å; H112-V673 CarbonylContact C-O 3.5Å; H112-V673 WeakPolarHBondContact CA-O 3.39Å; H112-V673 WeakPolarHBondContact CB-O 3.45Å
113	V	93.6	Very high	94.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.1	-22.5	-175.7	72.5	0	0	0	0	114.8	A116 L117 V657 M665 V673 L702 L706 F718	V113-A116 HydrophobicContact CG2-CB 4.49Å; V113-A116 WeakPolarHBondContact O-CB 3.42Å; V113-A116 PolarHBondContact O-N 2.83Å; V113-A116 VanDerWaalsContact O-N 3.15Å; V113-L117 PolarHBondContact O-N 3.07Å; V113-V657 HydrophobicContact CG1-CG1 4.24Å; V113-M665 HydrophobicContact CG1-CE 3.56Å; V113-M665 HydrophobicContact CG1-SD 3.67Å; V113-V673 HydrophobicContact CB-CB 4.49Å; V113-V673 HydrophobicContact CG1-CB 4.3Å; V113-V673 PolarHBondContact N-O 3.21Å; V113-L702 HydrophobicContact CG2-CD1 4.33Å; V113-L706 HydrophobicContact CG2-CD1 4.46Å; V113-L706 HydrophobicContact CG2-CD2 3.67Å; V113-F718 HydrophobicContact CG1-CD1 4.04Å; V113-F718 HydrophobicContact CG1-CE1 4.46Å; V113-F718 HydrophobicContact CG1-CG 4.15Å; V113-F718 HydrophobicContact CG2-CD1 4.23Å; V113-F718 HydrophobicContact CG2-CD2 3.92Å; V113-F718 HydrophobicContact CG2-CE1 4.03Å; V113-F718 HydrophobicContact CG2-CE2 3.71Å; V113-F718 HydrophobicContact CG2-CG 4.18Å; V113-F718 HydrophobicContact CG2-CZ 3.77Å
114	G	93.1	Very high	94.7	Very high	9 Å²	9	15.3 Å²	15.3	9%	0.093	9%	0.088	C	C	.	.	H	α-helix	trans	-62.6	-41.1	171.8	0	0	0	0	0	112.6	H112 A116 L117 T118	H112-G114 PolarHBondContact ND1-N 3.27Å; H112-G114 VanDerWaalsContact ND1-N 3.13Å; H112-G114 PolarHBondContact O-N 3.03Å; G114-A116 VanDerWaalsContact C-N 3.31Å; G114-A116 PolarHBondContact O-N 3.43Å; G114-L117 PolarHBondContact O-N 3.13Å; G114-T118 PolarHBondContact O-N 2.82Å; G114-T118 PolarHBondContact O-OG1 2.94Å
115	H	94.9	Very high	94.7	Very high	51 Å²	51	14.8 Å²	14.8	24%	0.236	8%	0.084	C	C	.	.	H	α-helix	trans	-66	-37.8	172.3	-62.3	82	0	0	0	111	L111 H112 L117 T118 C119	L111-H115 HydrophobicContact CB-CB 4.1Å; L111-H115 HydrophobicContact CD1-CB 4.24Å; H112-H115 AromaticContact CD2-CE1 3.43Å; H112-H115 PolarHBondContact CD2-CE1 3.32Å; H112-H115 VanDerWaalsContact CD2-CE1 3.43Å; H112-H115 AromaticContact CD2-ND1 3.3Å; H112-H115 PolarHBondContact CD2-ND1 2.9Å; H112-H115 VanDerWaalsContact CD2-ND1 3.3Å; H112-H115 AromaticContact CE1-ND1 3.68Å; H112-H115 AromaticContact CG-ND1 3.79Å; H112-H115 AromaticContact NE2-CE1 3.18Å; H112-H115 PolarHBondContact NE2-CE1 2.98Å; H112-H115 AromaticContact NE2-ND1 3.22Å; H112-H115 PolarHBondContact NE2-ND1 2.74Å; H112-H115 WeakPolarHBondContact O-CB 3.39Å; H112-H115 PolarHBondContact O-N 2.89Å; H115-L117 VanDerWaalsContact C-N 3.3Å; H115-L117 PolarHBondContact O-N 3.32Å; H115-T118 PolarHBondContact O-N 3.13Å; H115-C119 WeakPolarHBondContact O-CB 3.48Å; H115-C119 PolarHBondContact O-N 3.22Å; H115-C119 PolarHBondContact O-SG 3.39Å
116	A	96.3	Very high	94.8	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.008	8%	0.083	C	C	.	.	H	α-helix	trans	-63.2	-36.4	177.2	0	0	0	0	0	111.9	H112 V113 G114 T120 L217 P675 L706	H112-A116 PolarHBondContact O-N 3.25Å; V113-A116 HydrophobicContact CG2-CB 4.49Å; V113-A116 WeakPolarHBondContact O-CB 3.42Å; V113-A116 PolarHBondContact O-N 2.83Å; V113-A116 VanDerWaalsContact O-N 3.15Å; G114-A116 VanDerWaalsContact C-N 3.31Å; G114-A116 PolarHBondContact O-N 3.43Å; A116-T120 VanDerWaalsContact O-CB 3.25Å; A116-T120 WeakPolarHBondContact O-CB 3.43Å; A116-T120 PolarHBondContact O-N 3.16Å; A116-T120 PolarHBondContact O-OG1 3.44Å; A116-L217 HydrophobicContact CB-CD1 4.17Å; A116-L217 HydrophobicContact CB-CD2 4.4Å; A116-P675 HydrophobicContact CB-CB 4.21Å; A116-L706 HydrophobicContact CB-CD1 3.95Å
117	L	96.3	Very high	94.8	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-61.6	-55.8	174.2	178.5	61.3	0	0	0	111.4	V113 G114 H115 C119 T120 I121 H654 V657 L706 I716	V113-L117 PolarHBondContact O-N 3.07Å; G114-L117 PolarHBondContact O-N 3.13Å; H115-L117 VanDerWaalsContact C-N 3.3Å; H115-L117 PolarHBondContact O-N 3.32Å; L117-C119 VanDerWaalsContact C-N 3.29Å; L117-C119 PolarHBondContact O-N 3.03Å; L117-T120 PolarHBondContact O-N 2.92Å; L117-I121 HydrophobicContact CD1-CD1 3.84Å; L117-I121 HydrophobicContact CD1-CG1 4.13Å; L117-I121 HydrophobicContact CG-CD1 3.87Å; L117-I121 WeakPolarHBondContact O-CG1 3.39Å; L117-I121 PolarHBondContact O-N 2.88Å; L117-H654 VanDerWaalsContact CD2-CD2 3.41Å; L117-H654 WeakPolarHBondContact CD2-CD2 3.28Å; L117-V657 HydrophobicContact CD2-CG2 3.53Å; L117-L706 HydrophobicContact CB-CD2 4.26Å; L117-L706 HydrophobicContact CD1-CB 3.9Å; L117-L706 HydrophobicContact CD1-CD2 4.42Å; L117-I716 HydrophobicContact CD2-CD1 3.67Å
118	T	96	Very high	94.9	Very high	15 Å²	15	11.7 Å²	11.7	9%	0.092	7%	0.068	C	C	.	.	H	α-helix	trans	-53.2	-47.4	176.9	-57.6	0	0	0	0	111.6	P103 G114 H115 T120 I121 Q122 E622 H654	P103-T118 HydrophobicContact CB-CG2 4.42Å; P103-T118 HydrophobicContact CG-CG2 3.79Å; G114-T118 PolarHBondContact O-N 2.82Å; G114-T118 PolarHBondContact O-OG1 2.94Å; H115-T118 PolarHBondContact O-N 3.13Å; T118-T120 VanDerWaalsContact C-N 3.33Å; T118-T120 PolarHBondContact O-N 3.48Å; T118-I121 PolarHBondContact O-N 2.83Å; T118-Q122 PolarHBondContact O-N 3.08Å; T118-Q122 VanDerWaalsContact O-N 3.13Å; T118-E622 WeakPolarHBondContact CA-OE2 3.37Å; T118-E622 VanDerWaalsContact CG2-OE2 3.27Å; T118-E622 WeakPolarHBondContact CG2-OE2 3.3Å; T118-H654 PolarHBondContact OG1-CE1 3.03Å; T118-H654 VanDerWaalsContact OG1-CE1 3.24Å
119	C	97.5	Very high	95.1	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.014	6%	0.059	C	C	.	.	H	α-helix	trans	-61.5	-41.7	177.2	-66.6	0	0	0	0	112.1	H115 L117 D123 W138 L214 L217 L219	H115-C119 WeakPolarHBondContact O-CB 3.48Å; H115-C119 PolarHBondContact O-N 3.22Å; H115-C119 PolarHBondContact O-SG 3.39Å; L117-C119 VanDerWaalsContact C-N 3.29Å; L117-C119 PolarHBondContact O-N 3.03Å; C119-D123 WeakPolarHBondContact O-CB 3.23Å; C119-D123 PolarHBondContact O-N 2.89Å; C119-W138 WeakPolarHBondContact O-CH2 3.31Å; C119-L214 VanDerWaalsContact SG-CD2 3.5Å; C119-L217 HydrophobicContact CB-CD1 4.14Å; C119-L219 HydrophobicContact CB-CD1 3.65Å; C119-L219 HydrophobicContact CB-CD2 3.88Å; C119-L219 HydrophobicContact CB-CG 4.43Å
120	T	97.7	Very high	95.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-67.5	-41.8	-177.9	-60.5	0	0	0	0	111.6	A116 L117 T118 A124 R703 L707	A116-T120 VanDerWaalsContact O-CB 3.25Å; A116-T120 WeakPolarHBondContact O-CB 3.43Å; A116-T120 PolarHBondContact O-N 3.16Å; A116-T120 PolarHBondContact O-OG1 3.44Å; L117-T120 PolarHBondContact O-N 2.92Å; T118-T120 VanDerWaalsContact C-N 3.33Å; T118-T120 PolarHBondContact O-N 3.48Å; T120-A124 VanDerWaalsContact O-CB 3.32Å; T120-A124 WeakPolarHBondContact O-CB 3.46Å; T120-A124 PolarHBondContact O-N 2.94Å; T120-R703 HydrophobicContact CG2-CB 3.69Å; T120-R703 HydrophobicContact CG2-CG 3.94Å; T120-L707 HydrophobicContact CG2-CD1 3.72Å; T120-L707 HydrophobicContact CG2-CD2 4.12Å; T120-L707 HydrophobicContact CG2-CG 3.65Å
121	I	97.1	Very high	95.5	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-63.4	-52.2	178.2	-62	161.7	0	0	0	109.8	L117 T118 D123 A124 I125 E622 H654 L707 L711 F833	L117-I121 HydrophobicContact CD1-CD1 3.84Å; L117-I121 HydrophobicContact CD1-CG1 4.13Å; L117-I121 HydrophobicContact CG-CD1 3.87Å; L117-I121 WeakPolarHBondContact O-CG1 3.39Å; L117-I121 PolarHBondContact O-N 2.88Å; T118-I121 PolarHBondContact O-N 2.83Å; I121-D123 VanDerWaalsContact C-N 3.34Å; I121-D123 PolarHBondContact O-N 3.26Å; I121-A124 PolarHBondContact O-N 3.41Å; I121-I125 HydrophobicContact CG2-CD1 3.94Å; I121-I125 WeakPolarHBondContact O-CG1 3.33Å; I121-I125 PolarHBondContact O-N 3.28Å; I121-E622 HydrophobicContact CB-CG 4.3Å; I121-E622 HydrophobicContact CD1-CG 4.48Å; I121-E622 HydrophobicContact CG2-CG 3.76Å; I121-H654 HydrophobicContact CD1-CB 4.33Å; I121-L707 HydrophobicContact CG1-CD2 3.73Å; I121-L711 HydrophobicContact CD1-CD1 4.1Å; I121-L711 HydrophobicContact CD1-CD2 3.53Å; I121-L711 HydrophobicContact CD1-CG 4.49Å; I121-L711 HydrophobicContact CG1-CD2 4.25Å; I121-L711 HydrophobicContact CG2-CD1 4.31Å; I121-F833 HydrophobicContact CG2-CD2 4.45Å; I121-F833 HydrophobicContact CG2-CE2 3.87Å; I121-F833 HydrophobicContact CG2-CZ 4.23Å
122	Q	97.5	Very high	95.4	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-65	-36.3	-179	-67.5	-168.9	4.6	0	0	112.7	I101 T118 I125 A126 W138 E622	I101-Q122 PolarHBondContact O-OE1 3.04Å; T118-Q122 PolarHBondContact O-N 3.08Å; T118-Q122 VanDerWaalsContact O-N 3.13Å; Q122-I125 PolarHBondContact O-N 3.47Å; Q122-A126 VanDerWaalsContact O-CB 3.28Å; Q122-A126 WeakPolarHBondContact O-CB 3.43Å; Q122-A126 PolarHBondContact O-N 2.92Å; Q122-W138 HydrophobicContact CB-CH2 4.15Å; Q122-W138 HydrophobicContact CB-CZ2 3.46Å; Q122-W138 VanDerWaalsContact CB-CZ2 3.46Å; Q122-E622 HydrophobicContact CG-CB 3.74Å; Q122-E622 HydrophobicContact CG-CG 4.49Å; Q122-E622 PolarHBondContact NE2-O 2.81Å
123	D	97.8	Very high	95.2	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-66.2	-43.2	175.2	-170.7	79.6	0	0	0	112.1	C119 I121 I125 A126 R127 W138 L219 C220 R703	C119-D123 WeakPolarHBondContact O-CB 3.23Å; C119-D123 PolarHBondContact O-N 2.89Å; I121-D123 VanDerWaalsContact C-N 3.34Å; I121-D123 PolarHBondContact O-N 3.26Å; D123-I125 VanDerWaalsContact C-N 3.35Å; D123-I125 PolarHBondContact O-N 3.2Å; D123-A126 PolarHBondContact O-N 2.73Å; D123-R127 WeakPolarHBondContact O-CB 3.21Å; D123-R127 WeakPolarHBondContact O-CG 3.44Å; D123-R127 PolarHBondContact O-N 3.27Å; D123-R127 IonicContact OD1-NE 3.9Å; D123-R127 WeakPolarHBondContact OD2-CD 3.08Å; D123-R127 IonicContact OD2-CZ 3.32Å; D123-R127 IonicContact OD2-NE 2.93Å; D123-R127 PolarHBondContact OD2-NE 3.11Å; D123-R127 IonicContact OD2-NH2 2.84Å; D123-W138 HydrophobicContact CB-CH2 3.84Å; D123-W138 HydrophobicContact CB-CZ3 3.67Å; D123-W138 WeakPolarHBondContact OD1-CZ3 3.26Å; D123-L219 HydrophobicContact CB-CD2 3.86Å; D123-L219 VanDerWaalsContact OD1-CA 3.24Å; D123-L219 WeakPolarHBondContact OD1-CA 3.33Å; D123-C220 WeakPolarHBondContact OD1-CB 3.44Å; D123-C220 PolarHBondContact OD1-N 2.9Å; D123-C220 PolarHBondContact OD1-SG 2.92Å; D123-R703 IonicContact OD2-CZ 2.69Å; D123-R703 IonicContact OD2-NH1 3.36Å; D123-R703 PolarHBondContact OD2-NH1 3.01Å; D123-R703 IonicContact OD2-NH2 3.13Å; D123-R703 PolarHBondContact OD2-NH2 3.13Å
124	A	97.2	Very high	95.1	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.9	-45.8	176.6	0	0	0	0	0	110.8	T120 I121 R127 C128 L707 I886	T120-A124 VanDerWaalsContact O-CB 3.32Å; T120-A124 WeakPolarHBondContact O-CB 3.46Å; T120-A124 PolarHBondContact O-N 2.94Å; I121-A124 PolarHBondContact O-N 3.41Å; A124-R127 PolarHBondContact O-N 2.87Å; A124-C128 WeakPolarHBondContact O-CB 3.27Å; A124-C128 PolarHBondContact O-N 3.24Å; A124-C128 PolarHBondContact O-SG 2.87Å; A124-L707 HydrophobicContact CB-CD1 4.03Å; A124-I886 HydrophobicContact CB-CG2 4.39Å
125	I	96.4	Very high	95.1	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58.6	-51.9	173.4	-67.8	171.3	0	0	0	110.4	M100 I121 Q122 D123 R127 C128 Y129 L620 I652 W831 F833	M100-I125 HydrophobicContact CE-CG2 4.33Å; M100-I125 HydrophobicContact SD-CG2 3.96Å; I121-I125 HydrophobicContact CG2-CD1 3.94Å; I121-I125 WeakPolarHBondContact O-CG1 3.33Å; I121-I125 PolarHBondContact O-N 3.28Å; Q122-I125 PolarHBondContact O-N 3.47Å; D123-I125 VanDerWaalsContact C-N 3.35Å; D123-I125 PolarHBondContact O-N 3.2Å; I125-R127 VanDerWaalsContact C-N 3.32Å; I125-R127 PolarHBondContact O-N 2.79Å; I125-C128 PolarHBondContact O-N 3.03Å; I125-Y129 HydrophobicContact CG2-CD2 3.76Å; I125-Y129 HydrophobicContact CG2-CE2 3.81Å; I125-Y129 VanDerWaalsContact O-CD2 3.29Å; I125-Y129 WeakPolarHBondContact O-CD2 3.05Å; I125-Y129 PolarHBondContact O-N 3.11Å; I125-L620 HydrophobicContact CD1-CD1 4.35Å; I125-L620 HydrophobicContact CG2-CD2 3.9Å; I125-I652 HydrophobicContact CD1-CD1 3.88Å; I125-W831 HydrophobicContact CD1-CE3 4.22Å; I125-W831 HydrophobicContact CD1-CZ3 3.92Å; I125-W831 HydrophobicContact CG1-CZ3 4.03Å; I125-F833 HydrophobicContact CD1-CE2 4.44Å; I125-F833 HydrophobicContact CD1-CZ 3.86Å; I125-F833 HydrophobicContact CG1-CE1 4.13Å; I125-F833 HydrophobicContact CG1-CZ 3.54Å
126	A	96.7	Very high	95.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-56.3	-45.9	-178.9	0	0	0	0	0	112	M100 Q122 D123 R130 V136 W138 C220	M100-A126 HydrophobicContact CE-CB 3.64Å; Q122-A126 VanDerWaalsContact O-CB 3.28Å; Q122-A126 WeakPolarHBondContact O-CB 3.43Å; Q122-A126 PolarHBondContact O-N 2.92Å; D123-A126 PolarHBondContact O-N 2.73Å; A126-R130 WeakPolarHBondContact O-CB 3.16Å; A126-R130 VanDerWaalsContact O-CG 3.32Å; A126-R130 WeakPolarHBondContact O-CG 3.17Å; A126-R130 PolarHBondContact O-N 3.21Å; A126-V136 HydrophobicContact CB-CG1 4Å; A126-W138 HydrophobicContact CB-CE3 4.44Å; A126-C220 WeakPolarHBondContact CB-SG 3.23Å
127	R	96.1	Very high	95.2	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-66.6	-44.8	177.9	-70.8	177.8	-175.1	-85.5	-0.7	111.8	D123 A124 I125 Y129 R130 M131 G218 P885 L917	D123-R127 WeakPolarHBondContact O-CB 3.21Å; D123-R127 WeakPolarHBondContact O-CG 3.44Å; D123-R127 PolarHBondContact O-N 3.27Å; D123-R127 IonicContact OD1-NE 3.9Å; D123-R127 WeakPolarHBondContact OD2-CD 3.08Å; D123-R127 IonicContact OD2-CZ 3.32Å; D123-R127 IonicContact OD2-NE 2.93Å; D123-R127 PolarHBondContact OD2-NE 3.11Å; D123-R127 IonicContact OD2-NH2 2.84Å; A124-R127 PolarHBondContact O-N 2.87Å; I125-R127 VanDerWaalsContact C-N 3.32Å; I125-R127 PolarHBondContact O-N 2.79Å; R127-Y129 PolarHBondContact O-N 2.85Å; R127-R130 PolarHBondContact O-N 3.3Å; R127-M131 VanDerWaalsContact O-CG 3.28Å; R127-M131 WeakPolarHBondContact O-CG 3.27Å; R127-M131 PolarHBondContact O-N 2.88Å; R127-G218 PolarHBondContact NH2-O 2.49Å; R127-P885 HydrophobicContact CB-CB 3.91Å; R127-P885 HydrophobicContact CB-CG 4.35Å; R127-L917 HydrophobicContact CB-CD1 4.15Å; R127-L917 HydrophobicContact CG-CD1 4.03Å
128	C	94.4	Very high	95.3	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.007	6%	0.063	C	C	.	.	H	α-helix	trans	-55.4	-52.1	175.8	-78.7	0	0	0	0	111.7	A124 I125 R130 M131 H132 W800 T801 P885	A124-C128 WeakPolarHBondContact O-CB 3.27Å; A124-C128 PolarHBondContact O-N 3.24Å; A124-C128 PolarHBondContact O-SG 2.87Å; I125-C128 PolarHBondContact O-N 3.03Å; C128-R130 PolarHBondContact O-N 3.48Å; C128-M131 PolarHBondContact O-N 3.08Å; C128-H132 PolarHBondContact O-N 2.75Å; C128-H132 PolarHBondContact O-ND1 3.3Å; C128-W800 VanDerWaalsContact SG-CE3 3.59Å; C128-T801 HydrophobicContact CB-CG2 4.09Å; C128-P885 VanDerWaalsContact SG-CB 3.58Å; C128-P885 WeakPolarHBondContact SG-CG 3.35Å
129	Y	94.4	Very high	95.3	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64	-39.6	-179.5	-83.4	-102.8	0	0	0	112.1	V98 I125 R127 H132 G133 K134 T801 D802 D805 I806 W831	V98-Y129 HydrophobicContact CB-CD1 4.33Å; V98-Y129 HydrophobicContact CG1-CD1 4.15Å; V98-Y129 HydrophobicContact CG1-CE1 4.45Å; V98-Y129 HydrophobicContact CG1-CG 4.29Å; V98-Y129 HydrophobicContact CG2-CD1 3.39Å; V98-Y129 HydrophobicContact CG2-CE1 3.89Å; V98-Y129 HydrophobicContact CG2-CG 4.14Å; I125-Y129 HydrophobicContact CG2-CD2 3.76Å; I125-Y129 HydrophobicContact CG2-CE2 3.81Å; I125-Y129 VanDerWaalsContact O-CD2 3.29Å; I125-Y129 WeakPolarHBondContact O-CD2 3.05Å; I125-Y129 PolarHBondContact O-N 3.11Å; R127-Y129 PolarHBondContact O-N 2.85Å; Y129-H132 PolarHBondContact O-N 2.81Å; Y129-G133 PolarHBondContact O-N 3.01Å; Y129-K134 HydrophobicContact CD1-CB 4.47Å; Y129-K134 HydrophobicContact CD1-CG 4.1Å; Y129-K134 VanDerWaalsContact O-CB 3.31Å; Y129-K134 WeakPolarHBondContact O-CB 3.37Å; Y129-K134 PolarHBondContact O-N 3.45Å; Y129-T801 HydrophobicContact CD2-CG2 4.35Å; Y129-T801 HydrophobicContact CE2-CG2 4.06Å; Y129-D802 PolarHBondContact OH-N 3.13Å; Y129-D805 HydrophobicContact CE1-CB 3.52Å; Y129-D805 WeakPolarHBondContact CE1-OD2 3.37Å; Y129-D805 PolarHBondContact OH-OD2 3.2Å; Y129-I806 HydrophobicContact CD1-CD1 4.08Å; Y129-I806 HydrophobicContact CD2-CD1 4.45Å; Y129-I806 HydrophobicContact CE1-CD1 4.24Å; Y129-I806 HydrophobicContact CG-CD1 4.26Å; Y129-W831 HydrophobicContact CE2-CH2 4.28Å
130	R	93.3	Very high	95.3	Very high	30 Å²	30	9.6 Å²	9.6	11%	0.113	6%	0.058	C	C	.	.	H	α-helix	trans	-60.5	-47.3	174.2	-75.4	-172.2	-172.4	121.4	-4.7	112.4	F83 A126 R127 C128 H132 G133 V136 C220 L917	F83-R130 PolarHBondContact O-NH2 3.28Å; A126-R130 WeakPolarHBondContact O-CB 3.16Å; A126-R130 VanDerWaalsContact O-CG 3.32Å; A126-R130 WeakPolarHBondContact O-CG 3.17Å; A126-R130 PolarHBondContact O-N 3.21Å; R127-R130 PolarHBondContact O-N 3.3Å; C128-R130 PolarHBondContact O-N 3.48Å; R130-H132 PolarHBondContact O-N 2.89Å; R130-G133 WeakPolarHBondContact O-CA 3.36Å; R130-G133 PolarHBondContact O-N 3.17Å; R130-V136 HydrophobicContact CB-CG2 4.32Å; R130-V136 HydrophobicContact CG-CB 3.59Å; R130-V136 HydrophobicContact CG-CG2 3.43Å; R130-V136 VanDerWaalsContact CG-CG2 3.43Å; R130-V136 PolarHBondContact NH2-O 2.79Å; R130-C220 PolarHBondContact NH1-O 3.09Å; R130-C220 PolarHBondContact NH1-SG 3.24Å; R130-C220 PolarHBondContact NH2-O 2.83Å; R130-L917 HydrophobicContact CB-CD1 4.42Å
131	M	93.3	Very high	95.2	Very high	6 Å²	6	9.7 Å²	9.7	3%	0.03	6%	0.06	C	C	.	.	H	α-helix	trans	-68.5	-22.2	-179.8	-63.3	178.3	81.6	0	0	112.6	R127 C128 G133 H881 H884 P885 L917 Y921	R127-M131 VanDerWaalsContact O-CG 3.28Å; R127-M131 WeakPolarHBondContact O-CG 3.27Å; R127-M131 PolarHBondContact O-N 2.88Å; C128-M131 PolarHBondContact O-N 3.08Å; M131-G133 PolarHBondContact O-N 2.89Å; M131-H881 HydrophobicContact CE-CB 4.46Å; M131-H884 HydrophobicContact CE-CB 4.1Å; M131-H884 HydrophobicContact SD-CB 4.13Å; M131-P885 HydrophobicContact SD-CG 4.12Å; M131-L917 HydrophobicContact CG-CD1 3.88Å; M131-L917 HydrophobicContact SD-CD1 4.44Å; M131-Y921 HydrophobicContact CB-CD2 3.7Å; M131-Y921 HydrophobicContact CB-CG 4.12Å; M131-Y921 HydrophobicContact CE-CD2 3.74Å; M131-Y921 HydrophobicContact CE-CE2 4.27Å; M131-Y921 HydrophobicContact CG-CD2 4.33Å; M131-Y921 WeakPolarHBondContact O-CB 3.35Å; M131-Y921 PolarHBondContact O-N 3.26Å; M131-Y921 HydrophobicContact SD-CD2 3.69Å; M131-Y921 HydrophobicContact SD-CE2 4.02Å
132	H	91.2	Very high	95.2	Very high	43 Å²	43	10 Å²	10	20%	0.199	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	7.8	168.7	-74.4	88.1	0	0	0	113.4	C128 Y129 R130 N797 I806 Y921	C128-H132 PolarHBondContact O-N 2.75Å; C128-H132 PolarHBondContact O-ND1 3.3Å; Y129-H132 PolarHBondContact O-N 2.81Å; R130-H132 PolarHBondContact O-N 2.89Å; H132-N797 PolarHBondContact NE2-OD1 2.83Å; H132-I806 HydrophobicContact CB-CD1 3.73Å; H132-I806 HydrophobicContact CB-CG1 4.12Å; H132-I806 VanDerWaalsContact CD2-CG2 3.48Å; H132-I806 WeakPolarHBondContact CD2-CG2 3.26Å; H132-Y921 AromaticContact CE1-CD1 3.13Å; H132-Y921 WeakPolarHBondContact CE1-CD1 3.19Å; H132-Y921 AromaticContact CE1-CE1 3.74Å; H132-Y921 AromaticContact CE1-CG 3.64Å; H132-Y921 AromaticContact ND1-CD1 3.94Å; H132-Y921 AromaticContact ND1-CG 4Å; H132-Y921 AromaticContact NE2-CD1 3.51Å
133	G	89	Confident	95.1	Very high	56 Å²	56	10.2 Å²	10.2	58%	0.577	6%	0.062	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.7	21.2	175.9	0	0	0	0	0	114.4	Y129 R130 M131	Y129-G133 PolarHBondContact O-N 3.01Å; R130-G133 WeakPolarHBondContact O-CA 3.36Å; R130-G133 PolarHBondContact O-N 3.17Å; M131-G133 PolarHBondContact O-N 2.89Å
134	K	91.3	Very high	95.1	Very high	57 Å²	57	10.2 Å²	10.2	25%	0.248	6%	0.062	C	C	.	.			trans	-90	143.3	172.6	-56.4	-70.4	-173	170.6	0	110.3	V98 Y129 V136 D805	V98-K134 HydrophobicContact CG2-CB 4.1Å; Y129-K134 HydrophobicContact CD1-CB 4.47Å; Y129-K134 HydrophobicContact CD1-CG 4.1Å; Y129-K134 VanDerWaalsContact O-CB 3.31Å; Y129-K134 WeakPolarHBondContact O-CB 3.37Å; Y129-K134 PolarHBondContact O-N 3.45Å; K134-V136 HydrophobicContact CB-CG2 4.47Å; K134-V136 PolarHBondContact O-N 3.35Å; K134-D805 WeakPolarHBondContact CE-O 3.49Å; K134-D805 PolarHBondContact NZ-O 3.11Å
135	T	93.7	Very high	94.9	Very high	4 Å²	4	10.4 Å²	10.4	3%	0.025	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	121	166.1	-70.1	0	0	0	0	109.8	P85 T88 L89 E95 I97 V98	P85-T135 HydrophobicContact CB-CG2 3.53Å; T88-T135 VanDerWaalsContact CG2-OG1 3.28Å; T88-T135 WeakPolarHBondContact CG2-OG1 3.3Å; L89-T135 HydrophobicContact CD1-CG2 4.21Å; L89-T135 HydrophobicContact CD2-CG2 3.73Å; L89-T135 HydrophobicContact CG-CG2 3.9Å; E95-T135 WeakPolarHBondContact OE1-CB 3.42Å; E95-T135 PolarHBondContact OE1-N 3.3Å; E95-T135 VanDerWaalsContact OE1-N 3.09Å; E95-T135 PolarHBondContact OE1-OG1 2.86Å; I97-T135 CarbonylContact C-O 3.38Å; I97-T135 WeakPolarHBondContact CA-O 3.49Å; I97-T135 HydrophobicContact CG2-CG2 4.47Å; V98-T135 PolarHBondContact N-O 2.73Å
136	V	95.6	Very high	94.8	Very high	4 Å²	4	10.5 Å²	10.5	2%	0.024	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	129	-177.2	-176.5	0	0	0	0	111	V98 M100 A126 R130 K134	V98-V136 HydrophobicContact CB-CG1 4.47Å; V98-V136 HydrophobicContact CB-CG2 4.12Å; V98-V136 WeakPolarHBondContact O-CA 3.35Å; M100-V136 HydrophobicContact CE-CG1 4.19Å; A126-V136 HydrophobicContact CB-CG1 4Å; R130-V136 HydrophobicContact CB-CG2 4.32Å; R130-V136 HydrophobicContact CG-CB 3.59Å; R130-V136 HydrophobicContact CG-CG2 3.43Å; R130-V136 VanDerWaalsContact CG-CG2 3.43Å; R130-V136 PolarHBondContact NH2-O 2.79Å; K134-V136 HydrophobicContact CB-CG2 4.47Å; K134-V136 PolarHBondContact O-N 3.35Å
137	L	96.6	Very high	94.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.7	168.7	178.6	60.8	0	0	0	109.6	P85 V98 S99 M100 V139 D222 F604 F615	P85-L137 HydrophobicContact CG-CB 4.14Å; P85-L137 HydrophobicContact CG-CD1 3.91Å; P85-L137 HydrophobicContact CG-CG 4.48Å; V98-L137 PolarHBondContact O-N 3.27Å; S99-L137 CarbonylContact C-O 3.55Å; S99-L137 WeakPolarHBondContact CA-O 3.46Å; M100-L137 PolarHBondContact N-O 3.03Å; L137-V139 HydrophobicContact CD1-CG2 4.01Å; L137-V139 HydrophobicContact CD2-CG2 3.95Å; L137-V139 HydrophobicContact CG-CG2 3.77Å; L137-D222 HydrophobicContact CD1-CB 3.93Å; L137-D222 WeakPolarHBondContact CD1-OD2 3.46Å; L137-F604 HydrophobicContact CD2-CE1 3.7Å; L137-F604 HydrophobicContact CD2-CZ 4.34Å; L137-F615 HydrophobicContact CB-CD1 4.07Å; L137-F615 HydrophobicContact CB-CE1 4.14Å; L137-F615 HydrophobicContact CD2-CB 3.98Å; L137-F615 HydrophobicContact CD2-CD1 3.46Å; L137-F615 VanDerWaalsContact CD2-CD1 3.46Å; L137-F615 HydrophobicContact CD2-CD2 3.71Å; L137-F615 HydrophobicContact CD2-CE1 3.79Å; L137-F615 HydrophobicContact CD2-CE2 4.03Å; L137-F615 HydrophobicContact CD2-CG 3.44Å; L137-F615 VanDerWaalsContact CD2-CG 3.44Å; L137-F615 HydrophobicContact CD2-CZ 4.07Å; L137-F615 HydrophobicContact CG-CD1 4.41Å
138	W	97.8	Very high	94.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	106.9	174.3	-175.5	32.5	0	0	0	110.7	M100 L102 C119 Q122 D123 A126 L219 L221 D222	M100-W138 HydrophobicContact CB-CG 4.47Å; M100-W138 HydrophobicContact CE-CB 4.31Å; M100-W138 HydrophobicContact CE-CG 4.3Å; M100-W138 WeakPolarHBondContact O-CA 3.49Å; L102-W138 HydrophobicContact CB-CZ2 4.41Å; L102-W138 HydrophobicContact CD1-CZ2 3.87Å; C119-W138 WeakPolarHBondContact O-CH2 3.31Å; Q122-W138 HydrophobicContact CB-CH2 4.15Å; Q122-W138 HydrophobicContact CB-CZ2 3.46Å; Q122-W138 VanDerWaalsContact CB-CZ2 3.46Å; D123-W138 HydrophobicContact CB-CH2 3.84Å; D123-W138 HydrophobicContact CB-CZ3 3.67Å; D123-W138 WeakPolarHBondContact OD1-CZ3 3.26Å; A126-W138 HydrophobicContact CB-CE3 4.44Å; W138-L219 HydrophobicContact CH2-CB 4.17Å; W138-L219 HydrophobicContact CH2-CD1 4.28Å; W138-L219 HydrophobicContact CH2-CD2 4.18Å; W138-L219 HydrophobicContact CH2-CG 4.42Å; W138-L219 HydrophobicContact CZ3-CB 3.9Å; W138-L219 HydrophobicContact CZ3-CD2 4.47Å; W138-L221 HydrophobicContact CD2-CD2 3.4Å; W138-L221 HydrophobicContact CD2-CG 4.25Å; W138-L221 VanDerWaalsContact CE2-CD2 3.49Å; W138-L221 HydrophobicContact CE3-CD2 3.55Å; W138-L221 HydrophobicContact CE3-CG 3.88Å; W138-L221 HydrophobicContact CG-CD2 3.98Å; W138-L221 HydrophobicContact CH2-CD2 3.93Å; W138-L221 HydrophobicContact CH2-CG 4.22Å; W138-L221 HydrophobicContact CZ2-CD2 3.77Å; W138-L221 HydrophobicContact CZ3-CD2 3.82Å; W138-L221 HydrophobicContact CZ3-CG 3.87Å; W138-D222 PolarHBondContact O-N 2.92Å
139	V	97.4	Very high	94.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	123.9	-167.6	-169.4	0	0	0	0	111.7	M100 I101 L102 L137 R225 F227 V603 F604	M100-V139 PolarHBondContact O-N 3.04Å; I101-V139 HydrophobicContact CG2-CB 4.3Å; L102-V139 PolarHBondContact N-O 2.75Å; L137-V139 HydrophobicContact CD1-CG2 4.01Å; L137-V139 HydrophobicContact CD2-CG2 3.95Å; L137-V139 HydrophobicContact CG-CG2 3.77Å; V139-R225 HydrophobicContact CG1-CB 3.77Å; V139-R225 WeakPolarHBondContact CG1-O 3.47Å; V139-R225 HydrophobicContact CG2-CB 4.45Å; V139-F227 HydrophobicContact CG1-CD1 3.98Å; V139-F227 HydrophobicContact CG1-CE1 4.3Å; V139-V603 HydrophobicContact CB-CG1 4.26Å; V139-V603 HydrophobicContact CG1-CG1 3.71Å; V139-V603 HydrophobicContact CG2-CG1 4.23Å; V139-F604 HydrophobicContact CG2-CE1 4.08Å; V139-F604 HydrophobicContact CG2-CZ 4.36Å
140	P	97.3	Very high	94.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.071	C	C	.	.			trans	-80.4	157.9	170.9	32	-31.1	0	0	0	112.1	L221 D222 W223 E226 F227	P140-L221 HydrophobicContact CB-CB 4.2Å; P140-L221 HydrophobicContact CB-CD1 4.16Å; P140-L221 HydrophobicContact CB-CD2 3.98Å; P140-L221 HydrophobicContact CB-CG 4.34Å; P140-L221 HydrophobicContact CG-CB 4.14Å; P140-D222 WeakPolarHBondContact CD-O 3.47Å; P140-D222 WeakPolarHBondContact CG-O 3.25Å; P140-W223 HydrophobicContact CB-CE3 4.09Å; P140-W223 HydrophobicContact CB-CH2 4.24Å; P140-W223 HydrophobicContact CB-CZ3 3.94Å; P140-W223 HydrophobicContact CG-CD2 4.01Å; P140-W223 HydrophobicContact CG-CE3 3.77Å; P140-W223 HydrophobicContact CG-CG 4.46Å; P140-W223 HydrophobicContact CG-CZ3 4.15Å; P140-E226 HydrophobicContact CG-CB 4.41Å; P140-E226 WeakPolarHBondContact O-CA 3.37Å; P140-F227 WeakPolarHBondContact O-CD1 3.4Å; P140-F227 WeakPolarHBondContact O-CE1 3.44Å; P140-F227 PolarHBondContact O-N 3.43Å
141	G	95.2	Very high	94.4	Very high	3 Å²	3	10.6 Å²	10.6	3%	0.031	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.6	-176	168.9	0	0	0	0	0	112.3	P105 F227	P105-G141 WeakPolarHBondContact CD-O 3.31Å; G141-F227 CarbonylContact C-O 3.45Å; G141-F227 WeakPolarHBondContact CA-O 3.24Å
142	M	96.8	Very high	94.3	Very high	5 Å²	5	12.2 Å²	12.2	3%	0.025	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	150.4	-178.8	-62.8	167.7	-151.3	0	0	110.6	I107 A207 I210 E226 F227 F228 T229	I107-M142 HydrophobicContact CG2-CB 4.21Å; M142-A207 HydrophobicContact CE-CB 3.9Å; M142-A207 HydrophobicContact SD-CB 3.49Å; M142-A207 WeakPolarHBondContact SD-CB 3.3Å; M142-I210 HydrophobicContact CE-CG2 4.4Å; M142-I210 HydrophobicContact CG-CG2 4.49Å; M142-E226 VanDerWaalsContact CE-OE1 3.29Å; M142-E226 WeakPolarHBondContact CE-OE1 3.3Å; M142-F227 PolarHBondContact N-O 3.48Å; M142-F228 HydrophobicContact CB-CD2 3.91Å; M142-F228 HydrophobicContact CB-CE2 4.39Å; M142-F228 WeakPolarHBondContact O-CA 3.46Å; M142-F228 WeakPolarHBondContact O-CD2 3.36Å; M142-T229 PolarHBondContact O-N 2.87Å; M142-T229 VanDerWaalsContact O-N 3.16Å
143	D	96.5	Very high	94.4	Very high	5 Å²	5	10.1 Å²	10.1	3%	0.027	7%	0.068	C	C	.	.	B	Isolated β-bridge	trans	-105.7	132.1	177.8	-162.2	2.9	0	0	0	111	P104 P105 I107 A145 T229	P104-D143 HydrophobicContact CB-CB 4.15Å; P104-D143 HydrophobicContact CG-CB 4.07Å; P105-D143 PolarHBondContact O-N 2.91Å; I107-D143 PolarHBondContact N-O 3.15Å; D143-A145 PolarHBondContact O-N 3.13Å; D143-A145 PolarHBondContact OD1-N 3.5Å; D143-T229 WeakPolarHBondContact CA-OG1 3.28Å; D143-T229 HydrophobicContact CB-CG2 4.48Å; D143-T229 WeakPolarHBondContact OD1-CB 3.49Å; D143-T229 WeakPolarHBondContact OD1-CG2 3.37Å; D143-T229 PolarHBondContact OD1-OG1 2.99Å
144	H	96.2	Very high	94.6	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.042	C	C	.	.			trans	-58.9	-27	169.7	80	-74	0	0	0	112.3	G146 T149 F228 T229 L230 W532 T592 S595	H144-G146 PolarHBondContact CD2-N 3.2Å; H144-G146 PolarHBondContact NE2-N 3.19Å; H144-G146 PolarHBondContact O-N 3.27Å; H144-T149 VanDerWaalsContact O-CB 3.23Å; H144-T149 WeakPolarHBondContact O-CB 3.36Å; H144-T149 PolarHBondContact O-OG1 3.26Å; H144-F228 HydrophobicContact CB-CE2 4.11Å; H144-F228 HydrophobicContact CB-CZ 3.75Å; H144-T229 PolarHBondContact N-OG1 3.05Å; H144-T229 PolarHBondContact ND1-OG1 2.87Å; H144-L230 HydrophobicContact CB-CD1 3.41Å; H144-L230 VanDerWaalsContact CB-CD1 3.41Å; H144-L230 HydrophobicContact CB-CG 3.68Å; H144-W532 HydrophobicContact CB-CZ2 4.12Å; H144-W532 AromaticContact CD2-NE1 3.93Å; H144-W532 PolarHBondContact O-NE1 3.02Å; H144-T592 PolarHBondContact CE1-OG1 2.89Å; H144-T592 PolarHBondContact NE2-OG1 2.82Å; H144-S595 PolarHBondContact CE1-OG 3.02Å
145	A	94	Very high	94.5	Very high	4 Å²	4	10.6 Å²	10.6	3%	0.033	5%	0.051	C	C	.	.			trans	55.2	22	172.6	0	0	0	0	0	115.9	N106 T108 D143 I147 A148 T149 T592	N106-A145 HydrophobicContact CB-CB 3.64Å; N106-A145 VanDerWaalsContact CG-CB 3.48Å; T108-A145 HydrophobicContact CG2-CB 4.49Å; D143-A145 PolarHBondContact O-N 3.13Å; D143-A145 PolarHBondContact OD1-N 3.5Å; A145-I147 PolarHBondContact O-N 3.41Å; A145-I147 VanDerWaalsContact O-N 3.12Å; A145-A148 HydrophobicContact CB-CB 4.25Å; A145-A148 WeakPolarHBondContact O-CB 3.35Å; A145-A148 PolarHBondContact O-N 2.95Å; A145-T149 PolarHBondContact O-N 2.92Å; A145-T592 WeakPolarHBondContact CA-OG1 3.31Å
146	G	94.1	Very high	94.3	Very high	3 Å²	3	12.4 Å²	12.4	3%	0.031	6%	0.061	C	C	.	.	H	α-helix	trans	33.6	-111.2	175.4	0	0	0	0	0	114.6	H144 A148 T149 Q150 T592	H144-G146 PolarHBondContact CD2-N 3.2Å; H144-G146 PolarHBondContact NE2-N 3.19Å; H144-G146 PolarHBondContact O-N 3.27Å; G146-A148 VanDerWaalsContact C-N 3.29Å; G146-A148 PolarHBondContact O-N 2.87Å; G146-T149 PolarHBondContact O-N 2.81Å; G146-Q150 WeakPolarHBondContact O-CB 3.25Å; G146-Q150 PolarHBondContact O-N 3.48Å; G146-T592 PolarHBondContact N-OG1 3.09Å
147	I	92.9	Very high	94.1	Very high	12 Å²	12	12.6 Å²	12.6	6%	0.062	6%	0.062	C	C	.	.	H	α-helix	trans	-59.2	-33.3	-177.6	-163.7	167.4	0	0	0	114	A145 Q150 S151 L264 T266 I268 R468 L530	A145-I147 PolarHBondContact O-N 3.41Å; A145-I147 VanDerWaalsContact O-N 3.12Å; I147-Q150 PolarHBondContact O-N 3.24Å; I147-S151 VanDerWaalsContact O-CB 3.25Å; I147-S151 WeakPolarHBondContact O-CB 3.46Å; I147-S151 PolarHBondContact O-N 3.24Å; I147-S151 PolarHBondContact O-OG 2.82Å; I147-L264 HydrophobicContact CD1-CD1 3.94Å; I147-L264 HydrophobicContact CG1-CD1 4.22Å; I147-T266 HydrophobicContact CD1-CG2 3.63Å; I147-I268 HydrophobicContact CD1-CD1 3.35Å; I147-R468 HydrophobicContact CD1-CG 4.38Å; I147-R468 HydrophobicContact CG1-CG 4.45Å; I147-R468 HydrophobicContact CG2-CG 4.48Å; I147-L530 HydrophobicContact CB-CD1 3.75Å; I147-L530 HydrophobicContact CB-CD2 4.45Å; I147-L530 HydrophobicContact CG1-CD1 4.29Å; I147-L530 HydrophobicContact CG1-CD2 4.14Å
148	A	92	Very high	93.6	Very high	7 Å²	7	14.4 Å²	14.4	6%	0.058	7%	0.071	C	C	.	.	H	α-helix	trans	-68.2	-43.9	-177.9	0	0	0	0	0	110.8	T108 A145 G146 S151 I152	T108-A148 HydrophobicContact CG2-CB 3.99Å; A145-A148 HydrophobicContact CB-CB 4.25Å; A145-A148 WeakPolarHBondContact O-CB 3.35Å; A145-A148 PolarHBondContact O-N 2.95Å; G146-A148 VanDerWaalsContact C-N 3.29Å; G146-A148 PolarHBondContact O-N 2.87Å; A148-S151 PolarHBondContact O-OG 3.05Å; A148-S151 VanDerWaalsContact O-OG 3.1Å; A148-I152 WeakPolarHBondContact O-CD1 3.08Å; A148-I152 WeakPolarHBondContact O-CG1 3.32Å; A148-I152 PolarHBondContact O-N 2.87Å
149	T	94.6	Very high	93	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.8	-48.6	173.5	-60.9	0	0	0	0	110.6	I107 H144 A145 G146 S151 I152 V153 I199	I107-T149 HydrophobicContact CD1-CG2 3.84Å; I107-T149 HydrophobicContact CG1-CG2 3.79Å; I107-T149 WeakPolarHBondContact CG1-OG1 3.29Å; H144-T149 VanDerWaalsContact O-CB 3.23Å; H144-T149 WeakPolarHBondContact O-CB 3.36Å; H144-T149 PolarHBondContact O-OG1 3.26Å; A145-T149 PolarHBondContact O-N 2.92Å; G146-T149 PolarHBondContact O-N 2.81Å; T149-S151 PolarHBondContact O-N 3.48Å; T149-I152 PolarHBondContact O-N 3.47Å; T149-V153 HydrophobicContact CG2-CG2 4.42Å; T149-V153 WeakPolarHBondContact O-CG2 3.33Å; T149-V153 PolarHBondContact O-N 3.33Å; T149-I199 HydrophobicContact CG2-CG2 3.83Å
150	Q	94.4	Very high	92.4	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.009	11%	0.112	C	C	.	.	H	α-helix	trans	-58.1	-48.8	-176.7	-164.7	178.1	-71.1	0	0	112	G146 I147 I152 V153 E154 R187 F195 I199 L530 W532	G146-Q150 WeakPolarHBondContact O-CB 3.25Å; G146-Q150 PolarHBondContact O-N 3.48Å; I147-Q150 PolarHBondContact O-N 3.24Å; Q150-I152 VanDerWaalsContact C-N 3.25Å; Q150-I152 PolarHBondContact O-N 3.14Å; Q150-V153 PolarHBondContact O-N 2.79Å; Q150-E154 HydrophobicContact CG-CG 4.42Å; Q150-E154 PolarHBondContact NE2-OE1 3.32Å; Q150-E154 WeakPolarHBondContact O-CG 3.37Å; Q150-E154 PolarHBondContact O-N 3.08Å; Q150-R187 VanDerWaalsContact NE2-NE 3.12Å; Q150-F195 HydrophobicContact CG-CE1 3.5Å; Q150-F195 VanDerWaalsContact CG-CE1 3.5Å; Q150-F195 HydrophobicContact CG-CZ 3.51Å; Q150-I199 HydrophobicContact CG-CD1 4.21Å; Q150-L530 VanDerWaalsContact NE2-CD2 3.3Å; Q150-W532 HydrophobicContact CB-CB 4.45Å; Q150-W532 VanDerWaalsContact OE1-N 3.12Å
151	S	92.1	Very high	91.7	Very high	11 Å²	11	25.8 Å²	25.8	8%	0.077	12%	0.12	C	C	.	.	H	α-helix	trans	-61.7	-30.2	-179.5	62.4	0	0	0	0	113.7	I147 A148 T149 R155	I147-S151 VanDerWaalsContact O-CB 3.25Å; I147-S151 WeakPolarHBondContact O-CB 3.46Å; I147-S151 PolarHBondContact O-N 3.24Å; I147-S151 PolarHBondContact O-OG 2.82Å; A148-S151 PolarHBondContact O-OG 3.05Å; A148-S151 VanDerWaalsContact O-OG 3.1Å; T149-S151 PolarHBondContact O-N 3.48Å; S151-R155 WeakPolarHBondContact O-CB 3.39Å; S151-R155 PolarHBondContact O-N 2.92Å; S151-R155 VanDerWaalsContact O-N 3.16Å
152	I	92	Very high	90.7	Very high	40 Å²	40	29.6 Å²	29.6	21%	0.205	15%	0.147	C	C	.	.	H	α-helix	trans	-76.2	-41.3	176.7	-69.8	170.7	0	0	0	110.8	T108 A148 T149 Q150 R155 D156 W202	T108-I152 VanDerWaalsContact CB-CD1 3.45Å; T108-I152 HydrophobicContact CG2-CD1 3.83Å; T108-I152 WeakPolarHBondContact O-CD1 3.25Å; A148-I152 WeakPolarHBondContact O-CD1 3.08Å; A148-I152 WeakPolarHBondContact O-CG1 3.32Å; A148-I152 PolarHBondContact O-N 2.87Å; T149-I152 PolarHBondContact O-N 3.47Å; Q150-I152 VanDerWaalsContact C-N 3.25Å; Q150-I152 PolarHBondContact O-N 3.14Å; I152-R155 PolarHBondContact O-N 2.73Å; I152-D156 PolarHBondContact O-N 2.76Å; I152-W202 HydrophobicContact CG2-CH2 3.65Å; I152-W202 HydrophobicContact CG2-CZ2 3.48Å; I152-W202 VanDerWaalsContact CG2-CZ2 3.48Å
153	V	93.6	Very high	89.7	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.6	-40.9	175.9	175.5	0	0	0	0	111	T149 Q150 R155 D156 L157 F195 R198 I199 W202	T149-V153 HydrophobicContact CG2-CG2 4.42Å; T149-V153 WeakPolarHBondContact O-CG2 3.33Å; T149-V153 PolarHBondContact O-N 3.33Å; Q150-V153 PolarHBondContact O-N 2.79Å; V153-R155 VanDerWaalsContact C-N 3.31Å; V153-R155 PolarHBondContact O-N 2.84Å; V153-D156 PolarHBondContact O-N 2.69Å; V153-L157 HydrophobicContact CG1-CD1 4.19Å; V153-L157 WeakPolarHBondContact O-CG 3.43Å; V153-L157 PolarHBondContact O-N 2.76Å; V153-F195 HydrophobicContact CG1-CE2 4.34Å; V153-R198 HydrophobicContact CG1-CG 4.13Å; V153-I199 HydrophobicContact CB-CG1 4.18Å; V153-I199 HydrophobicContact CG1-CG1 3.91Å; V153-I199 HydrophobicContact CG2-CG1 4.12Å; V153-W202 HydrophobicContact CG2-CB 4.1Å; V153-W202 HydrophobicContact CG2-CD2 3.59Å; V153-W202 HydrophobicContact CG2-CE3 3.94Å; V153-W202 HydrophobicContact CG2-CG 3.65Å
154	E	92.1	Very high	88.3	Confident	7 Å²	7	39 Å²	39	3%	0.033	20%	0.197	C	C	.	.	H	α-helix	trans	-59.3	-43.1	173.2	-70.4	176.3	-175.2	0	0	111.3	Q150 L157 L158 P186 R187 F195	Q150-E154 HydrophobicContact CG-CG 4.42Å; Q150-E154 PolarHBondContact NE2-OE1 3.32Å; Q150-E154 WeakPolarHBondContact O-CG 3.37Å; Q150-E154 PolarHBondContact O-N 3.08Å; E154-L157 PolarHBondContact O-N 3.42Å; E154-L158 WeakPolarHBondContact O-CG 3.37Å; E154-L158 PolarHBondContact O-N 3.37Å; E154-P186 HydrophobicContact CB-CG 3.82Å; E154-P186 HydrophobicContact CG-CG 4.01Å; E154-R187 HydrophobicContact CG-CB 4.5Å; E154-R187 IonicContact OE1-NE 2.86Å; E154-F195 HydrophobicContact CG-CE2 3.89Å; E154-F195 HydrophobicContact CG-CZ 3.7Å
155	R	89.2	Confident	86.3	Confident	116 Å²	116	42.5 Å²	42.5	44%	0.438	22%	0.221	S	C	.	.	H	α-helix	trans	-65.7	-38.2	176.2	-170.1	-175.8	-63.2	128.4	-0.8	112.6	S151 I152 V153 K159 R468	S151-R155 WeakPolarHBondContact O-CB 3.39Å; S151-R155 PolarHBondContact O-N 2.92Å; S151-R155 VanDerWaalsContact O-N 3.16Å; I152-R155 PolarHBondContact O-N 2.73Å; V153-R155 VanDerWaalsContact C-N 3.31Å; V153-R155 PolarHBondContact O-N 2.84Å; R155-K159 WeakPolarHBondContact O-CG 3.43Å; R155-K159 PolarHBondContact O-N 3.4Å; R155-K159 VanDerWaalsContact O-N 3.14Å; R155-R468 PolarHBondContact NH2-O 3.24Å
156	D	90.8	Very high	84.2	Confident	42 Å²	42	48 Å²	48	23%	0.225	26%	0.259	C	S	.	.	H	α-helix	trans	-62.7	-47.1	175	-177.8	61.1	0	0	0	111	I152 V153 L158 K159 Q160 R198 W202	I152-D156 PolarHBondContact O-N 2.76Å; V153-D156 PolarHBondContact O-N 2.69Å; D156-L158 PolarHBondContact O-N 3.5Å; D156-K159 WeakPolarHBondContact O-CB 3.48Å; D156-K159 PolarHBondContact O-N 3.49Å; D156-Q160 WeakPolarHBondContact O-CG 3.32Å; D156-Q160 PolarHBondContact O-N 3.12Å; D156-Q160 PolarHBondContact OD2-NE2 2.79Å; D156-R198 IonicContact OD2-NH2 3.51Å; D156-R198 PolarHBondContact OD2-NH2 3.35Å; D156-W202 HydrophobicContact CB-CZ3 3.91Å
157	L	90.5	Very high	81.7	Confident	8 Å²	8	55.1 Å²	55.1	4%	0.042	29%	0.291	C	S	.	.	H	α-helix	trans	-60.6	-44.3	176.6	-72.2	169.5	0	0	0	112.5	V153 E154 K159 Q160 Y161 P186 L190 F195 R198	V153-L157 HydrophobicContact CG1-CD1 4.19Å; V153-L157 WeakPolarHBondContact O-CG 3.43Å; V153-L157 PolarHBondContact O-N 2.76Å; E154-L157 PolarHBondContact O-N 3.42Å; L157-K159 VanDerWaalsContact C-N 3.31Å; L157-K159 PolarHBondContact O-N 3.14Å; L157-Q160 WeakPolarHBondContact O-CB 3.23Å; L157-Q160 PolarHBondContact O-N 3.12Å; L157-Q160 VanDerWaalsContact O-N 3.13Å; L157-Y161 HydrophobicContact CB-CE2 4.43Å; L157-Y161 PolarHBondContact O-N 3.3Å; L157-P186 HydrophobicContact CB-CB 4.07Å; L157-P186 HydrophobicContact CB-CG 4.44Å; L157-P186 HydrophobicContact CD1-CB 4.26Å; L157-L190 HydrophobicContact CD1-CD1 3.67Å; L157-L190 HydrophobicContact CD2-CD1 4.38Å; L157-F195 HydrophobicContact CD1-CD2 4.07Å; L157-F195 HydrophobicContact CD1-CE2 3.9Å; L157-R198 HydrophobicContact CD1-CG 4.42Å; L157-R198 HydrophobicContact CD2-CG 4.25Å
158	L	85.7	Confident	79.3	Confident	37 Å²	37	59.1 Å²	59.1	19%	0.194	31%	0.309	C	S	.	.	H	α-helix	trans	-61	-38.7	176.5	-74.5	170.6	0	0	0	112.5	E154 D156 S162 P183 P186 Y263	E154-L158 WeakPolarHBondContact O-CG 3.37Å; E154-L158 PolarHBondContact O-N 3.37Å; D156-L158 PolarHBondContact O-N 3.5Å; L158-S162 WeakPolarHBondContact O-CB 2.95Å; L158-S162 PolarHBondContact O-N 2.69Å; L158-S162 PolarHBondContact O-OG 3.15Å; L158-P183 HydrophobicContact CD2-CB 4.3Å; L158-P186 HydrophobicContact CD2-CG 4.4Å; L158-P186 HydrophobicContact CG-CG 4.07Å; L158-Y263 WeakPolarHBondContact CD1-OH 3.14Å
159	K	86.3	Confident	76.4	Confident	128 Å²	128	64.3 Å²	64.3	56%	0.557	34%	0.342	S	S	*	.	H	α-helix	trans	-63.7	-43	173.8	-73.5	173.9	179.3	-178	0	111.3	R155 D156 L157 S162 L163	R155-K159 WeakPolarHBondContact O-CG 3.43Å; R155-K159 PolarHBondContact O-N 3.4Å; R155-K159 VanDerWaalsContact O-N 3.14Å; D156-K159 WeakPolarHBondContact O-CB 3.48Å; D156-K159 PolarHBondContact O-N 3.49Å; L157-K159 VanDerWaalsContact C-N 3.31Å; L157-K159 PolarHBondContact O-N 3.14Å; K159-S162 PolarHBondContact O-N 3.47Å; K159-L163 WeakPolarHBondContact O-CG 3.46Å; K159-L163 PolarHBondContact O-N 2.87Å
160	Q	84.2	Confident	73.5	Confident	67 Å²	67	70.3 Å²	70.3	31%	0.313	37%	0.374	S	S	.	.	H	α-helix	trans	-64.5	-43.8	177.5	-67.2	-179.6	24.8	0	0	112	D156 L157 S162 L163 N164 R198	D156-Q160 WeakPolarHBondContact O-CG 3.32Å; D156-Q160 PolarHBondContact O-N 3.12Å; D156-Q160 PolarHBondContact OD2-NE2 2.79Å; L157-Q160 WeakPolarHBondContact O-CB 3.23Å; L157-Q160 PolarHBondContact O-N 3.12Å; L157-Q160 VanDerWaalsContact O-N 3.13Å; Q160-S162 VanDerWaalsContact C-N 3.34Å; Q160-S162 PolarHBondContact O-N 3.42Å; Q160-L163 PolarHBondContact O-N 2.84Å; Q160-N164 WeakPolarHBondContact O-CB 3.47Å; Q160-N164 PolarHBondContact O-N 2.78Å; Q160-R198 VanDerWaalsContact NE2-NH2 3.19Å
161	Y	81.7	Confident	70.6	Confident	44 Å²	44	77.7 Å²	77.7	17%	0.173	41%	0.413	C	S	.	.	H	α-helix	trans	-62.8	-40.3	175.7	-64.6	-24.3	0	0	0	112.4	L157 L163 N164 S165 F168 P186 L189	L157-Y161 HydrophobicContact CB-CE2 4.43Å; L157-Y161 PolarHBondContact O-N 3.3Å; Y161-L163 VanDerWaalsContact C-N 3.34Å; Y161-L163 PolarHBondContact O-N 3.29Å; Y161-N164 CarbonylContact O-C 3.6Å; Y161-N164 PolarHBondContact O-N 2.85Å; Y161-S165 PolarHBondContact O-N 3.02Å; Y161-F168 AromaticContact CD1-CD2 3.89Å; Y161-F168 HydrophobicContact CD1-CD2 3.89Å; Y161-F168 HydrophobicContact CD1-CE1 4.29Å; Y161-F168 AromaticContact CD1-CE2 3.47Å; Y161-F168 HydrophobicContact CD1-CE2 3.47Å; Y161-F168 VanDerWaalsContact CD1-CE2 3.47Å; Y161-F168 HydrophobicContact CD1-CG 4.47Å; Y161-F168 AromaticContact CD1-CZ 3.69Å; Y161-F168 HydrophobicContact CD1-CZ 3.69Å; Y161-F168 HydrophobicContact CE1-CD2 4.47Å; Y161-F168 AromaticContact CE1-CE1 3.95Å; Y161-F168 HydrophobicContact CE1-CE1 3.95Å; Y161-F168 AromaticContact CE1-CE2 3.74Å; Y161-F168 HydrophobicContact CE1-CE2 3.74Å; Y161-F168 AromaticContact CE1-CZ 3.44Å; Y161-F168 HydrophobicContact CE1-CZ 3.44Å; Y161-F168 VanDerWaalsContact CE1-CZ 3.44Å; Y161-P186 HydrophobicContact CE2-CB 3.9Å; Y161-L189 HydrophobicContact CE2-CD2 4.21Å
162	S	75.2	Confident	67.4	Low	84 Å²	84	86.3 Å²	86.3	59%	0.587	45%	0.452	S	S	*	.	H	α-helix	trans	-62.3	-42.2	176.2	-56.8	0	0	0	0	111.7	L158 K159 Q160 S165	L158-S162 WeakPolarHBondContact O-CB 2.95Å; L158-S162 PolarHBondContact O-N 2.69Å; L158-S162 PolarHBondContact O-OG 3.15Å; K159-S162 PolarHBondContact O-N 3.47Å; Q160-S162 VanDerWaalsContact C-N 3.34Å; Q160-S162 PolarHBondContact O-N 3.42Å; S162-S165 PolarHBondContact O-OG 3.43Å
163	L	75.7	Confident	64.3	Low	143 Å²	143	88.7 Å²	88.7	75%	0.749	47%	0.473	S	S	*	.	H	α-helix	trans	-68.9	-34	176.8	-72	166.9	0	0	0	112.7	K159 Q160 Y161 S165	K159-L163 WeakPolarHBondContact O-CG 3.46Å; K159-L163 PolarHBondContact O-N 2.87Å; Q160-L163 PolarHBondContact O-N 2.84Å; Y161-L163 VanDerWaalsContact C-N 3.34Å; Y161-L163 PolarHBondContact O-N 3.29Å; L163-S165 PolarHBondContact O-N 3.42Å
164	N	65.9	Low	61.2	Low	65 Å²	65	99.5 Å²	99.5	35%	0.348	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	29.5	-176	-66	-15.2	0	0	0	113.5	Q160 Y161 S166 Q167 F168	Q160-N164 WeakPolarHBondContact O-CB 3.47Å; Q160-N164 PolarHBondContact O-N 2.78Å; Y161-N164 CarbonylContact O-C 3.6Å; Y161-N164 PolarHBondContact O-N 2.85Å; N164-S166 PolarHBondContact O-N 2.97Å; N164-Q167 PolarHBondContact O-N 3.27Å; N164-F168 HydrophobicContact CB-CD2 4.25Å; N164-F168 HydrophobicContact CB-CE2 4.35Å; N164-F168 PolarHBondContact O-N 3.03Å
165	S	56	Low	58.1	Low	72 Å²	72	103.2 Å²	103.2	50%	0.503	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-8.8	-179.2	-67.9	0	0	0	0	115	Y161 S162 L163	Y161-S165 PolarHBondContact O-N 3.02Å; S162-S165 PolarHBondContact O-OG 3.43Å; L163-S165 PolarHBondContact O-N 3.42Å
166	S	49.8	Very low	55.4	Low	119 Å²	119	103.3 Å²	103.3	83%	0.832	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-18.9	171.5	46	0	0	0	0	115.1	N164	N164-S166 PolarHBondContact O-N 2.97Å
167	Q	41.4	Very low	52.5	Low	153 Å²	153	106.5 Å²	106.5	72%	0.715	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	-20.2	-178.5	-79.9	-175.4	-10.7	0	0	114.4	N164	N164-Q167 PolarHBondContact O-N 3.27Å
168	F	42.1	Very low	49.7	Very low	97 Å²	97	113 Å²	113	43%	0.425	62%	0.62	S	S	.	*	S	Bend	trans	-99.9	113.1	171.1	-69.6	-81.8	0	0	0	108	Y161 N164 N170	Y161-F168 AromaticContact CD1-CD2 3.89Å; Y161-F168 HydrophobicContact CD1-CD2 3.89Å; Y161-F168 HydrophobicContact CD1-CE1 4.29Å; Y161-F168 AromaticContact CD1-CE2 3.47Å; Y161-F168 HydrophobicContact CD1-CE2 3.47Å; Y161-F168 VanDerWaalsContact CD1-CE2 3.47Å; Y161-F168 HydrophobicContact CD1-CG 4.47Å; Y161-F168 AromaticContact CD1-CZ 3.69Å; Y161-F168 HydrophobicContact CD1-CZ 3.69Å; Y161-F168 HydrophobicContact CE1-CD2 4.47Å; Y161-F168 AromaticContact CE1-CE1 3.95Å; Y161-F168 HydrophobicContact CE1-CE1 3.95Å; Y161-F168 AromaticContact CE1-CE2 3.74Å; Y161-F168 HydrophobicContact CE1-CE2 3.74Å; Y161-F168 AromaticContact CE1-CZ 3.44Å; Y161-F168 HydrophobicContact CE1-CZ 3.44Å; Y161-F168 VanDerWaalsContact CE1-CZ 3.44Å; N164-F168 HydrophobicContact CB-CD2 4.25Å; N164-F168 HydrophobicContact CB-CE2 4.35Å; N164-F168 PolarHBondContact O-N 3.03Å; F168-N170 PolarHBondContact O-N 3.42Å
169	P	30.5	Very low	47.3	Very low	116 Å²	116	115 Å²	115	75%	0.753	64%	0.636	S	S	*	*			trans	-59.8	116.6	179.5	24.6	-30.7	0	0	0	107.4	N171	P169-N171 PolarHBondContact O-N 2.92Å
170	N	35	Very low	44.9	Very low	126 Å²	126	111.9 Å²	111.9	67%	0.674	63%	0.63	S	S	*	*			trans	-41.8	118.7	155.9	-83.1	-34.6	0	0	0	106.1	F168 Q172	F168-N170 PolarHBondContact O-N 3.42Å; N170-Q172 VanDerWaalsContact C-N 3.26Å; N170-Q172 WeakPolarHBondContact O-CG 3.46Å; N170-Q172 PolarHBondContact O-N 2.79Å
171	N	32.2	Very low	43	Very low	157 Å²	157	116.8 Å²	116.8	84%	0.84	65%	0.653	S	S	*	*			trans	-48.9	101.6	166.6	-97.8	-24	0	0	0	106.7	P169 S173	P169-N171 PolarHBondContact O-N 2.92Å; N171-S173 PolarHBondContact O-N 2.94Å
172	Q	25.8	Very low	41.3	Very low	191 Å²	191	117 Å²	117	89%	0.893	66%	0.655	S	S	*	*			trans	-75.1	84.1	-179.7	-73.3	-171.7	5.2	0	0	107.2	N170	N170-Q172 VanDerWaalsContact C-N 3.26Å; N170-Q172 WeakPolarHBondContact O-CG 3.46Å; N170-Q172 PolarHBondContact O-N 2.79Å
173	S	26.4	Very low	40.2	Very low	91 Å²	91	116 Å²	116	64%	0.636	65%	0.647	S	S	*	*			trans	-150.3	82.6	154.4	57.2	0	0	0	0	108.6	N171 S175	N171-S173 PolarHBondContact O-N 2.94Å; S173-S175 PolarHBondContact O-N 3.45Å
174	K	28.8	Very low	39.6	Very low	227 Å²	227	113 Å²	113	99%	0.987	64%	0.638	S	S	*	*			trans	-69.2	44.2	156.6	-79.8	-177.1	172.8	178.2	0	110.7
175	S	26.4	Very low	40.1	Very low	85 Å²	85	110.7 Å²	110.7	59%	0.594	63%	0.625	S	S	*	*			trans	-102.4	91.4	177.7	-164.6	0	0	0	0	109.5	S173 V177	S173-S175 PolarHBondContact O-N 3.45Å; S175-V177 PolarHBondContact O-N 3.24Å
176	S	33.3	Very low	41.5	Very low	118 Å²	118	107.4 Å²	107.4	83%	0.825	60%	0.602	S	S	*	*	S	Bend	trans	38.5	11.4	143	65.1	0	0	0	0	123.1
177	V	29	Very low	43.4	Very low	108 Å²	108	102 Å²	102	66%	0.655	56%	0.563	S	S	*	*			trans	-120.2	123.1	171.1	-170.6	0	0	0	0	108.4	S175 S179	S175-V177 PolarHBondContact O-N 3.24Å; V177-S179 PolarHBondContact O-N 2.86Å; V177-S179 PolarHBondContact O-OG 3.43Å
178	L	32.5	Very low	45.6	Very low	146 Å²	146	98.5 Å²	98.5	76%	0.764	55%	0.549	S	S	*	.			trans	-64.6	35.5	172.7	-91.7	136.4	0	0	0	112.6	C180	L178-C180 PolarHBondContact O-N 3.29Å
179	S	35.2	Very low	47.6	Very low	77 Å²	77	99 Å²	99	54%	0.538	56%	0.556	S	S	.	*			trans	-80.8	108.7	177	54.4	0	0	0	0	110	V177 Q181	V177-S179 PolarHBondContact O-N 2.86Å; V177-S179 PolarHBondContact O-OG 3.43Å; S179-Q181 PolarHBondContact O-N 3Å
180	C	36.6	Very low	50.4	Low	63 Å²	63	95.7 Å²	95.7	43%	0.426	53%	0.532	S	S	.	.			trans	37.4	74.9	159.2	-56.1	0	0	0	0	117.7	L178 F182 G427	L178-C180 PolarHBondContact O-N 3.29Å; C180-F182 PolarHBondContact O-N 3.45Å; C180-G427 PolarHBondContact SG-O 2.76Å
181	Q	42.5	Very low	53.1	Low	171 Å²	171	91 Å²	91	80%	0.799	51%	0.513	S	S	*	.			trans	-85.4	49.7	158.8	-71.3	-176.9	-10.3	0	0	111.4	S179	S179-Q181 PolarHBondContact O-N 3Å
182	F	46.9	Very low	56	Low	47 Å²	47	87.2 Å²	87.2	21%	0.206	49%	0.487	C	S	.	.			trans	-66.6	136.7	162.3	-86.1	-87.1	0	0	0	107.3	C180 S184 C417 P429	C180-F182 PolarHBondContact O-N 3.45Å; F182-S184 PolarHBondContact O-N 2.95Å; F182-C417 WeakPolarHBondContact CE2-SG 3.44Å; F182-P429 HydrophobicContact CE2-CB 3.96Å; F182-P429 HydrophobicContact CE2-CG 3.77Å; F182-P429 HydrophobicContact CZ-CB 4.04Å; F182-P429 HydrophobicContact CZ-CG 4.29Å
183	P	52.5	Low	59.2	Low	65 Å²	65	86 Å²	86	42%	0.422	48%	0.481	S	S	.	.			trans	-58.3	112.1	162.9	23.8	-28.8	0	0	0	106	L158 N185	L158-P183 HydrophobicContact CD2-CB 4.3Å; P183-N185 PolarHBondContact O-N 3.25Å; P183-N185 VanDerWaalsContact O-N 3.12Å
184	S	63.1	Low	62.4	Low	79 Å²	79	86.8 Å²	86.8	55%	0.552	48%	0.478	S	S	*	.			trans	-47	124.1	179.6	-51.9	0	0	0	0	108.1	F182 P186	F182-S184 PolarHBondContact O-N 2.95Å; S184-P186 WeakPolarHBondContact O-CD 3.41Å
185	N	77.3	Confident	65.6	Low	16 Å²	16	76 Å²	76	9%	0.086	43%	0.431	C	S	.	.			trans	-52.2	118.5	179.2	-178.7	-36.9	0	0	0	107.7	P183 R187 L188 L189	P183-N185 PolarHBondContact O-N 3.25Å; P183-N185 VanDerWaalsContact O-N 3.12Å; N185-R187 PolarHBondContact O-N 3.14Å; N185-R187 VanDerWaalsContact O-N 3.08Å; N185-R187 VanDerWaalsContact OD1-CB 3.26Å; N185-R187 WeakPolarHBondContact OD1-CB 3.42Å; N185-R187 PolarHBondContact OD1-N 3.23Å; N185-R187 VanDerWaalsContact OD1-N 3.11Å; N185-L188 HydrophobicContact CB-CB 4.44Å; N185-L188 HydrophobicContact CB-CD1 4Å; N185-L188 HydrophobicContact CB-CG 4.02Å; N185-L188 WeakPolarHBondContact O-CB 3.48Å; N185-L188 PolarHBondContact O-N 3.34Å; N185-L189 PolarHBondContact O-N 3.08Å; N185-L189 VanDerWaalsContact O-N 3.16Å
186	P	85	Confident	68.9	Low	3 Å²	3	74 Å²	74	2%	0.019	41%	0.413	C	S	.	.	H	α-helix	trans	-60.7	-28.2	-168.6	25.3	-36.8	0	0	0	112	E154 L157 L158 Y161 S184 L189 L190	E154-P186 HydrophobicContact CB-CG 3.82Å; E154-P186 HydrophobicContact CG-CG 4.01Å; L157-P186 HydrophobicContact CB-CB 4.07Å; L157-P186 HydrophobicContact CB-CG 4.44Å; L157-P186 HydrophobicContact CD1-CB 4.26Å; L158-P186 HydrophobicContact CD2-CG 4.4Å; L158-P186 HydrophobicContact CG-CG 4.07Å; Y161-P186 HydrophobicContact CE2-CB 3.9Å; S184-P186 WeakPolarHBondContact O-CD 3.41Å; P186-L189 PolarHBondContact O-N 3.4Å; P186-L190 WeakPolarHBondContact O-CB 3.47Å; P186-L190 WeakPolarHBondContact O-CG 3.47Å; P186-L190 PolarHBondContact O-N 3.05Å
187	R	89.7	Confident	72	Confident	6 Å²	6	73.4 Å²	73.4	2%	0.023	40%	0.398	C	S	.	.	H	α-helix	trans	-61.8	-42.9	173	175.4	173.9	68.1	124.6	-10.9	112.6	Q150 E154 N185 G191 F195 L264 Q529 L530 Y531	Q150-R187 VanDerWaalsContact NE2-NE 3.12Å; E154-R187 HydrophobicContact CG-CB 4.5Å; E154-R187 IonicContact OE1-NE 2.86Å; N185-R187 PolarHBondContact O-N 3.14Å; N185-R187 VanDerWaalsContact O-N 3.08Å; N185-R187 VanDerWaalsContact OD1-CB 3.26Å; N185-R187 WeakPolarHBondContact OD1-CB 3.42Å; N185-R187 PolarHBondContact OD1-N 3.23Å; N185-R187 VanDerWaalsContact OD1-N 3.11Å; R187-G191 PolarHBondContact O-N 2.83Å; R187-G191 VanDerWaalsContact O-N 3.16Å; R187-F195 HydrophobicContact CB-CD1 4.14Å; R187-F195 HydrophobicContact CB-CD2 3.93Å; R187-F195 HydrophobicContact CB-CE1 4.01Å; R187-F195 HydrophobicContact CB-CE2 3.82Å; R187-F195 HydrophobicContact CB-CG 4.07Å; R187-F195 HydrophobicContact CB-CZ 3.85Å; R187-F195 HydrophobicContact CG-CD1 3.59Å; R187-F195 HydrophobicContact CG-CD2 4.23Å; R187-F195 HydrophobicContact CG-CE1 3.68Å; R187-F195 HydrophobicContact CG-CE2 4.34Å; R187-F195 HydrophobicContact CG-CG 3.85Å; R187-F195 HydrophobicContact CG-CZ 4.07Å; R187-L264 PolarHBondContact NH2-O 2.85Å; R187-Q529 PolarHBondContact NH1-O 3.27Å; R187-Q529 PolarHBondContact NH2-O 3.09Å; R187-L530 VanDerWaalsContact NH1-C 3.34Å; R187-L530 VanDerWaalsContact NH1-CA 3.31Å; R187-Y531 VanDerWaalsContact CD-CD2 3.45Å; R187-Y531 HydrophobicContact CG-CD2 3.13Å; R187-Y531 HydrophobicContact CG-CE2 3.28Å; R187-Y531 HydrophobicContact CG-CG 3.83Å
188	L	85.9	Confident	75.1	Confident	80 Å²	80	70.7 Å²	70.7	42%	0.419	38%	0.376	S	S	.	.	H	α-helix	trans	-70.9	-35	178.8	-60.5	-178.8	0	0	0	111.2	N185	N185-L188 HydrophobicContact CB-CB 4.44Å; N185-L188 HydrophobicContact CB-CD1 4Å; N185-L188 HydrophobicContact CB-CG 4.02Å; N185-L188 WeakPolarHBondContact O-CB 3.48Å; N185-L188 PolarHBondContact O-N 3.34Å
189	L	85.2	Confident	78.1	Confident	107 Å²	107	63.8 Å²	63.8	56%	0.56	34%	0.339	S	S	*	.	H	α-helix	trans	-67.2	-42.4	176.8	-174.7	68.9	0	0	0	112.6	Y161 N185 P186	Y161-L189 HydrophobicContact CE2-CD2 4.21Å; N185-L189 PolarHBondContact O-N 3.08Å; N185-L189 VanDerWaalsContact O-N 3.16Å; P186-L189 PolarHBondContact O-N 3.4Å
190	L	89	Confident	81.1	Confident	47 Å²	47	63.9 Å²	63.9	25%	0.246	33%	0.328	C	S	.	.	H	α-helix	trans	-76	-26	-179.4	-74.8	172.4	0	0	0	113.5	L157 P186 N194 F195	L157-L190 HydrophobicContact CD1-CD1 3.67Å; L157-L190 HydrophobicContact CD2-CD1 4.38Å; P186-L190 WeakPolarHBondContact O-CB 3.47Å; P186-L190 WeakPolarHBondContact O-CG 3.47Å; P186-L190 PolarHBondContact O-N 3.05Å; L190-N194 HydrophobicContact CB-CB 4.33Å; L190-N194 WeakPolarHBondContact O-CB 3.22Å; L190-N194 PolarHBondContact O-ND2 2.89Å; L190-F195 HydrophobicContact CB-CB 4.24Å; L190-F195 HydrophobicContact CD1-CD2 4.11Å
191	G	90.9	Very high	83.9	Confident	27 Å²	27	63.9 Å²	63.9	28%	0.278	32%	0.324	S	S	.	.			trans	77.9	165.1	-168.9	0	0	0	0	0	112.5	R187 F195	R187-G191 PolarHBondContact O-N 2.83Å; R187-G191 VanDerWaalsContact O-N 3.16Å; G191-F195 WeakPolarHBondContact O-CB 3.48Å; G191-F195 PolarHBondContact O-N 3.08Å; G191-F195 VanDerWaalsContact O-N 3.13Å
192	R	93	Very high	86.4	Confident	77 Å²	77	56.9 Å²	56.9	29%	0.291	29%	0.29	S	S	.	.	H	α-helix	trans	-60.2	-52.4	-169.9	178.3	175.5	-76.5	-123.8	-1.6	113.5	F195 I196 Y531 P587	R192-F195 PolarHBondContact O-N 3.33Å; R192-I196 HydrophobicContact CG-CD1 3.59Å; R192-I196 HydrophobicContact CG-CG1 4.37Å; R192-I196 WeakPolarHBondContact O-CB 3.38Å; R192-I196 VanDerWaalsContact O-CG1 3.29Å; R192-I196 WeakPolarHBondContact O-CG1 3.36Å; R192-I196 PolarHBondContact O-N 3.39Å; R192-Y531 VanDerWaalsContact CA-CD2 3.41Å; R192-Y531 VanDerWaalsContact CA-CE2 3.47Å; R192-Y531 HydrophobicContact CB-CD2 3.85Å; R192-Y531 HydrophobicContact CB-CE2 3.85Å; R192-Y531 HydrophobicContact CB-CG 4.2Å; R192-Y531 HydrophobicContact CG-CD1 4.39Å; R192-Y531 HydrophobicContact CG-CD2 4.13Å; R192-Y531 HydrophobicContact CG-CG 4.03Å; R192-P587 VanDerWaalsContact CZ-O 3.24Å; R192-P587 PolarHBondContact NH1-O 3.08Å; R192-P587 PolarHBondContact NH2-O 2.93Å
193	E	94.1	Very high	88.7	Confident	166 Å²	166	56.5 Å²	56.5	78%	0.776	29%	0.288	S	S	*	.	H	α-helix	trans	-62.8	-53.2	-173.7	-64.3	177	176.3	0	0	111.9	F195 I196 Q197	E193-F195 VanDerWaalsContact C-N 3.28Å; E193-F195 PolarHBondContact O-N 2.8Å; E193-I196 PolarHBondContact O-N 2.85Å; E193-Q197 PolarHBondContact O-N 3.47Å
194	N	94.5	Very high	90.7	Very high	107 Å²	107	57.3 Å²	57.3	57%	0.572	29%	0.289	S	S	*	.	H	α-helix	trans	-61.1	-38.5	179.5	-65	-38.1	0	0	0	112.1	L190 Q197 R198	L190-N194 HydrophobicContact CB-CB 4.33Å; L190-N194 WeakPolarHBondContact O-CB 3.22Å; L190-N194 PolarHBondContact O-ND2 2.89Å; N194-Q197 PolarHBondContact O-N 3.2Å; N194-R198 PolarHBondContact O-N 2.87Å
195	F	95.6	Very high	92	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-70	-41.6	178.8	-176.8	-101.7	0	0	0	112.3	Q150 V153 E154 L157 R187 L190 G191 R192 E193 Q197 R198 I199 Y531	Q150-F195 HydrophobicContact CG-CE1 3.5Å; Q150-F195 VanDerWaalsContact CG-CE1 3.5Å; Q150-F195 HydrophobicContact CG-CZ 3.51Å; V153-F195 HydrophobicContact CG1-CE2 4.34Å; E154-F195 HydrophobicContact CG-CE2 3.89Å; E154-F195 HydrophobicContact CG-CZ 3.7Å; L157-F195 HydrophobicContact CD1-CD2 4.07Å; L157-F195 HydrophobicContact CD1-CE2 3.9Å; R187-F195 HydrophobicContact CB-CD1 4.14Å; R187-F195 HydrophobicContact CB-CD2 3.93Å; R187-F195 HydrophobicContact CB-CE1 4.01Å; R187-F195 HydrophobicContact CB-CE2 3.82Å; R187-F195 HydrophobicContact CB-CG 4.07Å; R187-F195 HydrophobicContact CB-CZ 3.85Å; R187-F195 HydrophobicContact CG-CD1 3.59Å; R187-F195 HydrophobicContact CG-CD2 4.23Å; R187-F195 HydrophobicContact CG-CE1 3.68Å; R187-F195 HydrophobicContact CG-CE2 4.34Å; R187-F195 HydrophobicContact CG-CG 3.85Å; R187-F195 HydrophobicContact CG-CZ 4.07Å; L190-F195 HydrophobicContact CB-CB 4.24Å; L190-F195 HydrophobicContact CD1-CD2 4.11Å; G191-F195 WeakPolarHBondContact O-CB 3.48Å; G191-F195 PolarHBondContact O-N 3.08Å; G191-F195 VanDerWaalsContact O-N 3.13Å; R192-F195 PolarHBondContact O-N 3.33Å; E193-F195 VanDerWaalsContact C-N 3.28Å; E193-F195 PolarHBondContact O-N 2.8Å; F195-Q197 VanDerWaalsContact C-N 3.34Å; F195-R198 WeakPolarHBondContact O-CB 3.46Å; F195-R198 PolarHBondContact O-N 3.33Å; F195-I199 HydrophobicContact CD1-CD1 3.9Å; F195-I199 HydrophobicContact CE1-CD1 3.36Å; F195-I199 HydrophobicContact CE1-CG1 4.31Å; F195-I199 HydrophobicContact CZ-CD1 3.76Å; F195-I199 HydrophobicContact CZ-CG1 4.42Å; F195-I199 WeakPolarHBondContact O-CG1 3.37Å; F195-I199 PolarHBondContact O-N 3.44Å; F195-I199 VanDerWaalsContact O-N 3.11Å; F195-Y531 HydrophobicContact CB-CD2 4.31Å; F195-Y531 AromaticContact CD1-CD2 3.93Å; F195-Y531 HydrophobicContact CD1-CD2 3.93Å; F195-Y531 HydrophobicContact CD1-CG 4.44Å; F195-Y531 HydrophobicContact CG-CD2 4.43Å
196	I	96.2	Very high	92.8	Very high	44 Å²	44	59.1 Å²	59.1	23%	0.226	29%	0.288	C	S	.	.	H	α-helix	trans	-61.2	-44.3	173.4	-72.7	171.8	0	0	0	110.5	R192 E193 R198 I199 W200 Y531 W532	R192-I196 HydrophobicContact CG-CD1 3.59Å; R192-I196 HydrophobicContact CG-CG1 4.37Å; R192-I196 WeakPolarHBondContact O-CB 3.38Å; R192-I196 VanDerWaalsContact O-CG1 3.29Å; R192-I196 WeakPolarHBondContact O-CG1 3.36Å; R192-I196 PolarHBondContact O-N 3.39Å; E193-I196 PolarHBondContact O-N 2.85Å; I196-R198 VanDerWaalsContact C-N 3.29Å; I196-R198 PolarHBondContact O-N 2.87Å; I196-I199 PolarHBondContact O-N 3.49Å; I196-I199 VanDerWaalsContact O-N 3.07Å; I196-W200 PolarHBondContact O-N 2.7Å; I196-Y531 WeakPolarHBondContact CD1-O 3.37Å; I196-W532 HydrophobicContact CG2-CE3 4.38Å; I196-W532 HydrophobicContact CG2-CZ3 4.23Å
197	Q	96.4	Very high	93.2	Very high	106 Å²	106	59.3 Å²	59.3	50%	0.495	29%	0.29	S	S	.	.	H	α-helix	trans	-58.9	-42.6	176.7	-174.6	57.2	50.6	0	0	111.5	E193 N194 F195 I199 W200 D201	E193-Q197 PolarHBondContact O-N 3.47Å; N194-Q197 PolarHBondContact O-N 3.2Å; F195-Q197 VanDerWaalsContact C-N 3.34Å; Q197-I199 VanDerWaalsContact C-N 3.27Å; Q197-I199 PolarHBondContact O-N 2.68Å; Q197-W200 WeakPolarHBondContact O-CB 3.28Å; Q197-W200 PolarHBondContact O-N 2.89Å; Q197-W200 VanDerWaalsContact O-N 3.11Å; Q197-D201 PolarHBondContact NE2-OD1 3.01Å; Q197-D201 VanDerWaalsContact NE2-OD1 3.13Å; Q197-D201 PolarHBondContact O-N 3.48Å
198	R	94.9	Very high	93.3	Very high	51 Å²	51	65.6 Å²	65.6	19%	0.192	32%	0.32	C	S	.	.	H	α-helix	trans	-60.4	-36.1	175.5	-179.3	62.4	-177.2	135.6	5.9	112.6	V153 D156 L157 Q160 N194 F195 I196 W202	V153-R198 HydrophobicContact CG1-CG 4.13Å; D156-R198 IonicContact OD2-NH2 3.51Å; D156-R198 PolarHBondContact OD2-NH2 3.35Å; L157-R198 HydrophobicContact CD1-CG 4.42Å; L157-R198 HydrophobicContact CD2-CG 4.25Å; Q160-R198 VanDerWaalsContact NE2-NH2 3.19Å; N194-R198 PolarHBondContact O-N 2.87Å; F195-R198 WeakPolarHBondContact O-CB 3.46Å; F195-R198 PolarHBondContact O-N 3.33Å; I196-R198 VanDerWaalsContact C-N 3.29Å; I196-R198 PolarHBondContact O-N 2.87Å; R198-W202 WeakPolarHBondContact O-CB 3.38Å; R198-W202 PolarHBondContact O-N 3Å
199	I	96.4	Very high	93.6	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-72.9	-34.5	175.7	-62	173.3	0	0	0	111.4	T149 Q150 V153 F195 I196 Q197 W202 K203 W532	T149-I199 HydrophobicContact CG2-CG2 3.83Å; Q150-I199 HydrophobicContact CG-CD1 4.21Å; V153-I199 HydrophobicContact CB-CG1 4.18Å; V153-I199 HydrophobicContact CG1-CG1 3.91Å; V153-I199 HydrophobicContact CG2-CG1 4.12Å; F195-I199 HydrophobicContact CD1-CD1 3.9Å; F195-I199 HydrophobicContact CE1-CD1 3.36Å; F195-I199 HydrophobicContact CE1-CG1 4.31Å; F195-I199 HydrophobicContact CZ-CD1 3.76Å; F195-I199 HydrophobicContact CZ-CG1 4.42Å; F195-I199 WeakPolarHBondContact O-CG1 3.37Å; F195-I199 PolarHBondContact O-N 3.44Å; F195-I199 VanDerWaalsContact O-N 3.11Å; I196-I199 PolarHBondContact O-N 3.49Å; I196-I199 VanDerWaalsContact O-N 3.07Å; Q197-I199 VanDerWaalsContact C-N 3.27Å; Q197-I199 PolarHBondContact O-N 2.68Å; I199-W202 WeakPolarHBondContact O-CB 3.42Å; I199-W202 PolarHBondContact O-N 2.84Å; I199-K203 WeakPolarHBondContact O-CB 3.48Å; I199-K203 PolarHBondContact O-N 3.46Å; I199-W532 HydrophobicContact CB-CD2 4.09Å; I199-W532 HydrophobicContact CB-CE3 3.88Å; I199-W532 HydrophobicContact CB-CZ3 4.12Å; I199-W532 HydrophobicContact CD1-CB 3.58Å; I199-W532 HydrophobicContact CD1-CD2 4.14Å; I199-W532 HydrophobicContact CD1-CE3 4.31Å; I199-W532 HydrophobicContact CD1-CG 3.84Å; I199-W532 HydrophobicContact CG2-CD2 3.42Å; I199-W532 VanDerWaalsContact CG2-CD2 3.42Å; I199-W532 HydrophobicContact CG2-CE3 3.65Å; I199-W532 HydrophobicContact CG2-CG 3.96Å; I199-W532 HydrophobicContact CG2-CH2 3.86Å; I199-W532 HydrophobicContact CG2-CZ2 3.62Å; I199-W532 HydrophobicContact CG2-CZ3 3.86Å
200	W	96.7	Very high	94.1	Very high	80 Å²	80	60.1 Å²	60.1	30%	0.303	29%	0.291	S	S	.	.	H	α-helix	trans	-62.6	-42.7	171.5	-82.2	116.4	0	0	0	112.4	I196 Q197 W202 K203 N204 F228 L230 W532	I196-W200 PolarHBondContact O-N 2.7Å; Q197-W200 WeakPolarHBondContact O-CB 3.28Å; Q197-W200 PolarHBondContact O-N 2.89Å; Q197-W200 VanDerWaalsContact O-N 3.11Å; W200-W202 VanDerWaalsContact C-N 3.29Å; W200-W202 PolarHBondContact O-N 2.87Å; W200-K203 HydrophobicContact CE3-CB 4.41Å; W200-K203 HydrophobicContact CE3-CD 4.16Å; W200-K203 HydrophobicContact CE3-CG 4.38Å; W200-K203 HydrophobicContact CZ3-CD 4.11Å; W200-K203 HydrophobicContact CZ3-CG 4.44Å; W200-K203 WeakPolarHBondContact O-CB 3.48Å; W200-K203 PolarHBondContact O-N 3.19Å; W200-N204 PolarHBondContact O-N 3.01Å; W200-N204 PolarHBondContact O-ND2 2.67Å; W200-F228 AromaticContact CH2-CD1 3.96Å; W200-F228 HydrophobicContact CH2-CD1 3.96Å; W200-F228 AromaticContact CH2-CE1 3.6Å; W200-F228 HydrophobicContact CH2-CE1 3.6Å; W200-F228 HydrophobicContact CZ3-CD1 4.01Å; W200-F228 AromaticContact CZ3-CE1 3.58Å; W200-F228 HydrophobicContact CZ3-CE1 3.58Å; W200-L230 HydrophobicContact CH2-CB 4.33Å; W200-W532 AromaticContact CD1-CZ3 3.89Å; W200-W532 AromaticContact CD2-CH2 3.78Å; W200-W532 HydrophobicContact CD2-CH2 3.78Å; W200-W532 HydrophobicContact CD2-CZ3 4.1Å; W200-W532 AromaticContact CE2-CH2 3.67Å; W200-W532 AromaticContact CE2-CZ3 3.77Å; W200-W532 HydrophobicContact CE3-CH2 4.15Å; W200-W532 HydrophobicContact CG-CH2 4.22Å; W200-W532 HydrophobicContact CG-CZ3 4.18Å; W200-W532 HydrophobicContact CH2-CH2 4.33Å; W200-W532 AromaticContact CZ2-CH2 3.97Å; W200-W532 HydrophobicContact CZ2-CH2 3.97Å; W200-W532 HydrophobicContact CZ2-CZ3 4.31Å; W200-W532 HydrophobicContact CZ3-CH2 4.41Å; W200-W532 AromaticContact NE1-CZ3 3.63Å
201	D	95.3	Very high	94.3	Very high	63 Å²	63	62.1 Å²	62.1	34%	0.337	30%	0.295	S	S	.	.	H	α-helix	trans	-60.8	-42.8	174.4	-60.6	-19.1	0	0	0	110.9	Q197 N204 Q205	Q197-D201 PolarHBondContact NE2-OD1 3.01Å; Q197-D201 VanDerWaalsContact NE2-OD1 3.13Å; Q197-D201 PolarHBondContact O-N 3.48Å; D201-N204 PolarHBondContact O-N 3.23Å; D201-Q205 WeakPolarHBondContact O-CG 3.34Å; D201-Q205 PolarHBondContact O-N 3.2Å
202	W	94.9	Very high	94.4	Very high	24 Å²	24	65.8 Å²	65.8	9%	0.091	31%	0.305	C	S	.	.	H	α-helix	trans	-60.1	-45.9	174.2	176.8	-79.8	0	0	0	112	I107 I152 V153 D156 R198 I199 W200 N204 Q205 H206	I107-W202 PolarHBondContact O-NE1 2.96Å; I152-W202 HydrophobicContact CG2-CH2 3.65Å; I152-W202 HydrophobicContact CG2-CZ2 3.48Å; I152-W202 VanDerWaalsContact CG2-CZ2 3.48Å; V153-W202 HydrophobicContact CG2-CB 4.1Å; V153-W202 HydrophobicContact CG2-CD2 3.59Å; V153-W202 HydrophobicContact CG2-CE3 3.94Å; V153-W202 HydrophobicContact CG2-CG 3.65Å; D156-W202 HydrophobicContact CB-CZ3 3.91Å; R198-W202 WeakPolarHBondContact O-CB 3.38Å; R198-W202 PolarHBondContact O-N 3Å; I199-W202 WeakPolarHBondContact O-CB 3.42Å; I199-W202 PolarHBondContact O-N 2.84Å; W200-W202 VanDerWaalsContact C-N 3.29Å; W200-W202 PolarHBondContact O-N 2.87Å; W202-N204 VanDerWaalsContact C-N 3.34Å; W202-N204 PolarHBondContact O-N 3.45Å; W202-Q205 PolarHBondContact O-N 3.18Å; W202-H206 AromaticContact CD1-ND1 3.54Å; W202-H206 AromaticContact CD2-CE1 3.42Å; W202-H206 VanDerWaalsContact CD2-CE1 3.42Å; W202-H206 AromaticContact CD2-ND1 3.6Å; W202-H206 AromaticContact CE2-CE1 3.11Å; W202-H206 AromaticContact CE2-ND1 3.39Å; W202-H206 AromaticContact CE2-NE2 3.77Å; W202-H206 AromaticContact CE3-CE1 3.82Å; W202-H206 AromaticContact CG-ND1 3.7Å; W202-H206 AromaticContact CH2-CE1 3.66Å; W202-H206 AromaticContact CZ2-CE1 3.24Å; W202-H206 WeakPolarHBondContact CZ2-CE1 3.41Å; W202-H206 AromaticContact CZ2-ND1 3.97Å; W202-H206 AromaticContact CZ2-NE2 3.51Å; W202-H206 AromaticContact CZ3-CE1 3.94Å; W202-H206 AromaticContact NE1-CE1 3.55Å; W202-H206 AromaticContact NE1-CG 3.85Å; W202-H206 AromaticContact NE1-ND1 3.33Å; W202-H206 PolarHBondContact NE1-ND1 3.2Å; W202-H206 WeakPolarHBondContact O-CB 3.24Å; W202-H206 PolarHBondContact O-N 3.32Å; W202-H206 PolarHBondContact O-ND1 3.31Å
203	K	95.2	Very high	94.5	Very high	39 Å²	39	62.3 Å²	62.3	17%	0.17	29%	0.293	C	S	.	.	H	α-helix	trans	-57.4	-47.7	177.1	179.6	-85.8	-172.5	-179	0	110.5	I107 I199 W200 Q205 H206 A207 F228	I107-K203 HydrophobicContact CD1-CB 3.65Å; I107-K203 HydrophobicContact CD1-CG 3.7Å; I107-K203 HydrophobicContact CG2-CG 4.35Å; I199-K203 WeakPolarHBondContact O-CB 3.48Å; I199-K203 PolarHBondContact O-N 3.46Å; W200-K203 HydrophobicContact CE3-CB 4.41Å; W200-K203 HydrophobicContact CE3-CD 4.16Å; W200-K203 HydrophobicContact CE3-CG 4.38Å; W200-K203 HydrophobicContact CZ3-CD 4.11Å; W200-K203 HydrophobicContact CZ3-CG 4.44Å; W200-K203 WeakPolarHBondContact O-CB 3.48Å; W200-K203 PolarHBondContact O-N 3.19Å; K203-Q205 PolarHBondContact O-N 3.17Å; K203-H206 PolarHBondContact O-N 3.2Å; K203-A207 HydrophobicContact CD-CB 4.48Å; K203-A207 WeakPolarHBondContact O-CB 3.4Å; K203-A207 PolarHBondContact O-N 3.07Å; K203-F228 HydrophobicContact CD-CE1 4.48Å; K203-F228 HydrophobicContact CD-CZ 4.49Å; K203-F228 HydrophobicContact CG-CE1 4.13Å; K203-F228 HydrophobicContact CG-CE2 4.14Å; K203-F228 HydrophobicContact CG-CZ 3.74Å
204	N	94.4	Very high	94.6	Very high	81 Å²	81	54.6 Å²	54.6	43%	0.433	26%	0.256	S	S	.	.	H	α-helix	trans	-62.8	-44.3	-176.6	-69.4	-22.9	0	0	0	111.7	W200 D201 W202 H206 E208	W200-N204 PolarHBondContact O-N 3.01Å; W200-N204 PolarHBondContact O-ND2 2.67Å; D201-N204 PolarHBondContact O-N 3.23Å; W202-N204 VanDerWaalsContact C-N 3.34Å; W202-N204 PolarHBondContact O-N 3.45Å; N204-H206 PolarHBondContact O-N 3.5Å; N204-E208 PolarHBondContact O-N 3.21Å
205	Q	91.7	Very high	94.6	Very high	110 Å²	110	51.6 Å²	51.6	51%	0.514	24%	0.241	S	C	.	.	H	α-helix	trans	-62.9	-43	176.1	-67.3	174.9	4.6	0	0	112.5	D201 W202 K203 L209	D201-Q205 WeakPolarHBondContact O-CG 3.34Å; D201-Q205 PolarHBondContact O-N 3.2Å; W202-Q205 PolarHBondContact O-N 3.18Å; K203-Q205 PolarHBondContact O-N 3.17Å; Q205-L209 WeakPolarHBondContact O-CG 3.12Å
206	H	93.4	Very high	94.6	Very high	23 Å²	23	52.7 Å²	52.7	11%	0.106	25%	0.248	C	C	.	.	H	α-helix	trans	-78.3	-30.3	-177.4	-73.5	85.2	0	0	0	113.5	G109 W202 K203 N204 E208 L209 I210	G109-H206 VanDerWaalsContact CA-CD2 3.46Å; G109-H206 WeakPolarHBondContact CA-CD2 3.39Å; W202-H206 AromaticContact CD1-ND1 3.54Å; W202-H206 AromaticContact CD2-CE1 3.42Å; W202-H206 VanDerWaalsContact CD2-CE1 3.42Å; W202-H206 AromaticContact CD2-ND1 3.6Å; W202-H206 AromaticContact CE2-CE1 3.11Å; W202-H206 AromaticContact CE2-ND1 3.39Å; W202-H206 AromaticContact CE2-NE2 3.77Å; W202-H206 AromaticContact CE3-CE1 3.82Å; W202-H206 AromaticContact CG-ND1 3.7Å; W202-H206 AromaticContact CH2-CE1 3.66Å; W202-H206 AromaticContact CZ2-CE1 3.24Å; W202-H206 WeakPolarHBondContact CZ2-CE1 3.41Å; W202-H206 AromaticContact CZ2-ND1 3.97Å; W202-H206 AromaticContact CZ2-NE2 3.51Å; W202-H206 AromaticContact CZ3-CE1 3.94Å; W202-H206 AromaticContact NE1-CE1 3.55Å; W202-H206 AromaticContact NE1-CG 3.85Å; W202-H206 AromaticContact NE1-ND1 3.33Å; W202-H206 PolarHBondContact NE1-ND1 3.2Å; W202-H206 WeakPolarHBondContact O-CB 3.24Å; W202-H206 PolarHBondContact O-N 3.32Å; W202-H206 PolarHBondContact O-ND1 3.31Å; K203-H206 PolarHBondContact O-N 3.2Å; N204-H206 PolarHBondContact O-N 3.5Å; H206-E208 VanDerWaalsContact C-N 3.32Å; H206-E208 PolarHBondContact O-N 2.78Å; H206-L209 PolarHBondContact O-N 3.41Å; H206-I210 WeakPolarHBondContact O-CB 3.5Å; H206-I210 VanDerWaalsContact O-CG1 3.27Å; H206-I210 WeakPolarHBondContact O-CG1 3.49Å; H206-I210 PolarHBondContact O-N 2.91Å
207	A	93.5	Very high	94.5	Very high	8 Å²	8	50.8 Å²	50.8	7%	0.066	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-42.4	176.1	0	0	0	0	0	111.4	M142 K203 I210 R211	M142-A207 HydrophobicContact CE-CB 3.9Å; M142-A207 HydrophobicContact SD-CB 3.49Å; M142-A207 WeakPolarHBondContact SD-CB 3.3Å; K203-A207 HydrophobicContact CD-CB 4.48Å; K203-A207 WeakPolarHBondContact O-CB 3.4Å; K203-A207 PolarHBondContact O-N 3.07Å; A207-I210 PolarHBondContact O-N 2.73Å; A207-R211 VanDerWaalsContact O-CB 3.32Å; A207-R211 WeakPolarHBondContact O-CB 3.36Å; A207-R211 PolarHBondContact O-N 3.29Å
208	E	91.8	Very high	94.5	Very high	138 Å²	138	45.9 Å²	45.9	65%	0.645	22%	0.217	S	C	*	.	H	α-helix	trans	-62.8	-45.4	175.6	-68.9	-178.3	170.3	0	0	111.8	N204 H206 R211 E212	N204-E208 PolarHBondContact O-N 3.21Å; H206-E208 VanDerWaalsContact C-N 3.32Å; H206-E208 PolarHBondContact O-N 2.78Å; E208-R211 PolarHBondContact O-N 2.72Å; E208-E212 PolarHBondContact O-N 3.21Å
209	L	92.5	Very high	94.5	Very high	72 Å²	72	43.9 Å²	43.9	38%	0.377	21%	0.21	S	C	.	.	H	α-helix	trans	-62.9	-44.8	177.5	-67.8	173.1	0	0	0	112.3	Q205 H206 R211 E212 Q213	Q205-L209 WeakPolarHBondContact O-CG 3.12Å; H206-L209 PolarHBondContact O-N 3.41Å; L209-R211 VanDerWaalsContact C-N 3.32Å; L209-R211 PolarHBondContact O-N 2.94Å; L209-E212 PolarHBondContact O-N 3.13Å; L209-Q213 WeakPolarHBondContact O-CG 3.22Å; L209-Q213 PolarHBondContact O-N 3.28Å
210	I	95.4	Very high	94.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.6	-45.4	176.7	-73.1	168.4	0	0	0	109.8	P105 I107 L111 M142 H206 A207 E212 Q213 L214	P105-I210 HydrophobicContact CB-CG2 4.36Å; P105-I210 HydrophobicContact CG-CG2 4.27Å; I107-I210 HydrophobicContact CG2-CD1 4.41Å; L111-I210 HydrophobicContact CD1-CG2 4.26Å; L111-I210 HydrophobicContact CD2-CG1 4.05Å; L111-I210 HydrophobicContact CG-CG1 4.3Å; M142-I210 HydrophobicContact CE-CG2 4.4Å; M142-I210 HydrophobicContact CG-CG2 4.49Å; H206-I210 WeakPolarHBondContact O-CB 3.5Å; H206-I210 VanDerWaalsContact O-CG1 3.27Å; H206-I210 WeakPolarHBondContact O-CG1 3.49Å; H206-I210 PolarHBondContact O-N 2.91Å; A207-I210 PolarHBondContact O-N 2.73Å; I210-E212 VanDerWaalsContact C-N 3.35Å; I210-E212 PolarHBondContact O-N 3.42Å; I210-Q213 PolarHBondContact O-N 3.01Å; I210-L214 HydrophobicContact CG2-CD1 3.95Å; I210-L214 HydrophobicContact CG2-CG 4.4Å; I210-L214 WeakPolarHBondContact O-CG 3.38Å; I210-L214 PolarHBondContact O-N 3.19Å
211	R	94.3	Very high	94.5	Very high	88 Å²	88	40.2 Å²	40.2	33%	0.332	20%	0.196	S	C	.	.	H	α-helix	trans	-61.7	-42	177.5	-177.1	178.5	-64	153.8	-0.4	111.9	A207 E208 L209 L214 N215 W223 E226	A207-R211 VanDerWaalsContact O-CB 3.32Å; A207-R211 WeakPolarHBondContact O-CB 3.36Å; A207-R211 PolarHBondContact O-N 3.29Å; E208-R211 PolarHBondContact O-N 2.72Å; L209-R211 VanDerWaalsContact C-N 3.32Å; L209-R211 PolarHBondContact O-N 2.94Å; R211-L214 PolarHBondContact O-N 3.11Å; R211-N215 WeakPolarHBondContact CG-ND2 3.35Å; R211-N215 VanDerWaalsContact O-CB 3.24Å; R211-N215 WeakPolarHBondContact O-CB 3.18Å; R211-N215 PolarHBondContact O-N 2.84Å; R211-N215 PolarHBondContact O-ND2 3.47Å; R211-W223 HydrophobicContact CB-CH2 4.18Å; R211-W223 HydrophobicContact CG-CH2 3.72Å; R211-W223 HydrophobicContact CG-CZ2 4.04Å; R211-W223 HydrophobicContact CG-CZ3 4.06Å; R211-E226 IonicContact CZ-OE1 3.8Å; R211-E226 IonicContact CZ-OE2 3.82Å; R211-E226 IonicContact NE-OE1 2.85Å; R211-E226 IonicContact NH2-OE1 2.99Å; R211-E226 PolarHBondContact NH2-OE1 3.2Å; R211-E226 IonicContact NH2-OE2 3.2Å; R211-E226 PolarHBondContact NH2-OE2 2.97Å
212	E	92.2	Very high	94.5	Very high	104 Å²	104	37.6 Å²	37.6	49%	0.486	18%	0.182	S	C	.	.	H	α-helix	trans	-59.4	-48.5	173.3	-172.6	-175.2	172.3	0	0	111	E208 L209 I210 L214 N215 S216	E208-E212 PolarHBondContact O-N 3.21Å; L209-E212 PolarHBondContact O-N 3.13Å; I210-E212 VanDerWaalsContact C-N 3.35Å; I210-E212 PolarHBondContact O-N 3.42Å; E212-L214 PolarHBondContact O-N 3.18Å; E212-N215 PolarHBondContact O-N 3.03Å; E212-S216 PolarHBondContact O-N 3.21Å; E212-S216 PolarHBondContact O-OG 3.04Å
213	Q	94.9	Very high	94.4	Very high	5 Å²	5	39.5 Å²	39.5	2%	0.023	19%	0.189	C	C	.	.	H	α-helix	trans	-59.4	-44.1	178.6	-70.8	-172.4	-85.7	0	0	113	L111 L209 I210 S216 N674 L676	L111-Q213 HydrophobicContact CD1-CB 4.21Å; L111-Q213 HydrophobicContact CG-CB 4.47Å; L111-Q213 PolarHBondContact O-NE2 3Å; L111-Q213 VanDerWaalsContact O-NE2 3.1Å; L209-Q213 WeakPolarHBondContact O-CG 3.22Å; L209-Q213 PolarHBondContact O-N 3.28Å; I210-Q213 PolarHBondContact O-N 3.01Å; Q213-S216 PolarHBondContact O-N 3.47Å; Q213-N674 PolarHBondContact NE2-OD1 3.03Å; Q213-L676 HydrophobicContact CG-CD1 3.66Å; Q213-L676 HydrophobicContact CG-CD2 4.38Å; Q213-L676 HydrophobicContact CG-CG 3.89Å
214	L	96.3	Very high	94.3	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.016	21%	0.207	C	C	.	.	H	α-helix	trans	-66.2	-40.7	176.7	-68.5	175.2	0	0	0	111.4	L102 L111 C119 I210 R211 E212 L217 L219 L221 W223	L102-L214 HydrophobicContact CD2-CD1 3.98Å; L102-L214 HydrophobicContact CD2-CD2 4.17Å; L111-L214 HydrophobicContact CD1-CD2 4.01Å; L111-L214 HydrophobicContact CD1-CG 4.2Å; C119-L214 VanDerWaalsContact SG-CD2 3.5Å; I210-L214 HydrophobicContact CG2-CD1 3.95Å; I210-L214 HydrophobicContact CG2-CG 4.4Å; I210-L214 WeakPolarHBondContact O-CG 3.38Å; I210-L214 PolarHBondContact O-N 3.19Å; R211-L214 PolarHBondContact O-N 3.11Å; E212-L214 PolarHBondContact O-N 3.18Å; L214-L217 PolarHBondContact O-N 2.74Å; L214-L219 HydrophobicContact CB-CD1 4.11Å; L214-L219 HydrophobicContact CD2-CD1 3.73Å; L214-L219 WeakPolarHBondContact O-CG 2.94Å; L214-L221 HydrophobicContact CB-CD1 4.43Å; L214-L221 HydrophobicContact CD1-CD1 4.41Å; L214-W223 HydrophobicContact CB-CH2 4.48Å; L214-W223 HydrophobicContact CB-CZ2 4.33Å; L214-W223 HydrophobicContact CD1-CH2 3.97Å
215	N	94.8	Very high	94.3	Very high	45 Å²	45	38.9 Å²	38.9	24%	0.241	19%	0.192	C	C	.	.	H	α-helix	trans	-66.1	-37.1	177.5	-77.2	-36.8	0	0	0	112.9	K74 R211 E212 L217 G218	K74-N215 PolarHBondContact NZ-ND2 3.36Å; K74-N215 PolarHBondContact NZ-OD1 3.3Å; R211-N215 WeakPolarHBondContact CG-ND2 3.35Å; R211-N215 VanDerWaalsContact O-CB 3.24Å; R211-N215 WeakPolarHBondContact O-CB 3.18Å; R211-N215 PolarHBondContact O-N 2.84Å; R211-N215 PolarHBondContact O-ND2 3.47Å; E212-N215 PolarHBondContact O-N 3.03Å; N215-L217 PolarHBondContact O-N 3.2Å; N215-G218 PolarHBondContact O-N 3.05Å
216	S	94.6	Very high	94.4	Very high	22 Å²	22	37 Å²	37	15%	0.154	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.8	177.3	-66.5	0	0	0	0	113.7	E212 Q213 H680 A699	E212-S216 PolarHBondContact O-N 3.21Å; E212-S216 PolarHBondContact O-OG 3.04Å; Q213-S216 PolarHBondContact O-N 3.47Å; S216-H680 PolarHBondContact OG-NE2 3.48Å; S216-A699 VanDerWaalsContact O-CB 3.3Å; S216-A699 WeakPolarHBondContact O-CB 3.45Å
217	L	95.8	Very high	94.5	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-10.1	173.4	-72.5	168.1	0	0	0	113.4	A116 C119 L214 N215 L219 I679 L702 R703	A116-L217 HydrophobicContact CB-CD1 4.17Å; A116-L217 HydrophobicContact CB-CD2 4.4Å; C119-L217 HydrophobicContact CB-CD1 4.14Å; L214-L217 PolarHBondContact O-N 2.74Å; N215-L217 PolarHBondContact O-N 3.2Å; L217-L219 HydrophobicContact CB-CD1 4.27Å; L217-L219 HydrophobicContact CB-CD2 3.75Å; L217-L219 HydrophobicContact CB-CG 3.73Å; L217-L219 HydrophobicContact CD1-CD1 4.22Å; L217-L219 HydrophobicContact CD1-CD2 4.4Å; L217-I679 HydrophobicContact CD2-CD1 3.77Å; L217-I679 HydrophobicContact CG-CD1 4.18Å; L217-L702 HydrophobicContact CD2-CD2 4.2Å; L217-R703 HydrophobicContact CD2-CG 4.48Å; L217-R703 WeakPolarHBondContact O-CD 3.42Å; L217-R703 PolarHBondContact O-NH1 3.04Å; L217-R703 VanDerWaalsContact O-NH1 3.14Å
218	G	94.5	Very high	94.7	Very high	4 Å²	4	37 Å²	37	4%	0.041	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	41.5	-175.4	0	0	0	0	0	113.4	R127 N215	R127-G218 PolarHBondContact NH2-O 2.49Å; N215-G218 PolarHBondContact O-N 3.05Å
219	L	96.8	Very high	94.9	Very high	9 Å²	9	30.5 Å²	30.5	5%	0.047	15%	0.151	C	C	.	.			trans	-75.3	145.8	-177.4	-54.4	175.6	0	0	0	112.3	C119 D123 W138 L214 L217 L221	C119-L219 HydrophobicContact CB-CD1 3.65Å; C119-L219 HydrophobicContact CB-CD2 3.88Å; C119-L219 HydrophobicContact CB-CG 4.43Å; D123-L219 HydrophobicContact CB-CD2 3.86Å; D123-L219 VanDerWaalsContact OD1-CA 3.24Å; D123-L219 WeakPolarHBondContact OD1-CA 3.33Å; W138-L219 HydrophobicContact CH2-CB 4.17Å; W138-L219 HydrophobicContact CH2-CD1 4.28Å; W138-L219 HydrophobicContact CH2-CD2 4.18Å; W138-L219 HydrophobicContact CH2-CG 4.42Å; W138-L219 HydrophobicContact CZ3-CB 3.9Å; W138-L219 HydrophobicContact CZ3-CD2 4.47Å; L214-L219 HydrophobicContact CB-CD1 4.11Å; L214-L219 HydrophobicContact CD2-CD1 3.73Å; L214-L219 WeakPolarHBondContact O-CG 2.94Å; L217-L219 HydrophobicContact CB-CD1 4.27Å; L217-L219 HydrophobicContact CB-CD2 3.75Å; L217-L219 HydrophobicContact CB-CG 3.73Å; L217-L219 HydrophobicContact CD1-CD1 4.22Å; L217-L219 HydrophobicContact CD1-CD2 4.4Å; L219-L221 VanDerWaalsContact C-N 3.28Å; L219-L221 HydrophobicContact CB-CD1 3.87Å; L219-L221 HydrophobicContact CB-CG 3.99Å; L219-L221 HydrophobicContact CD1-CD1 3.85Å; L219-L221 PolarHBondContact O-N 3.34Å
220	C	95.1	Very high	95.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.			trans	-92.1	46.7	-177.9	66.8	0	0	0	0	113.4	F83 D123 A126 R130	F83-C220 HydrophobicContact CD1-CB 3.46Å; F83-C220 VanDerWaalsContact CD1-CB 3.46Å; F83-C220 HydrophobicContact CD2-CB 4.28Å; F83-C220 HydrophobicContact CE1-CB 3.34Å; F83-C220 HydrophobicContact CE2-CB 4.19Å; F83-C220 HydrophobicContact CG-CB 3.95Å; F83-C220 HydrophobicContact CZ-CB 3.73Å; D123-C220 WeakPolarHBondContact OD1-CB 3.44Å; D123-C220 PolarHBondContact OD1-N 2.9Å; D123-C220 PolarHBondContact OD1-SG 2.92Å; A126-C220 WeakPolarHBondContact CB-SG 3.23Å; R130-C220 PolarHBondContact NH1-O 3.09Å; R130-C220 PolarHBondContact NH1-SG 3.24Å; R130-C220 PolarHBondContact NH2-O 2.83Å
221	L	96.7	Very high	95.1	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.016	15%	0.145	C	C	.	.			trans	-79.4	140.8	-178.1	-69	162.7	0	0	0	111.6	L102 W138 P140 L214 L219 W223	L102-L221 HydrophobicContact CB-CD2 4.15Å; L102-L221 HydrophobicContact CD2-CD1 4.3Å; L102-L221 HydrophobicContact CD2-CD2 4.24Å; W138-L221 HydrophobicContact CD2-CD2 3.4Å; W138-L221 HydrophobicContact CD2-CG 4.25Å; W138-L221 VanDerWaalsContact CE2-CD2 3.49Å; W138-L221 HydrophobicContact CE3-CD2 3.55Å; W138-L221 HydrophobicContact CE3-CG 3.88Å; W138-L221 HydrophobicContact CG-CD2 3.98Å; W138-L221 HydrophobicContact CH2-CD2 3.93Å; W138-L221 HydrophobicContact CH2-CG 4.22Å; W138-L221 HydrophobicContact CZ2-CD2 3.77Å; W138-L221 HydrophobicContact CZ3-CD2 3.82Å; W138-L221 HydrophobicContact CZ3-CG 3.87Å; P140-L221 HydrophobicContact CB-CB 4.2Å; P140-L221 HydrophobicContact CB-CD1 4.16Å; P140-L221 HydrophobicContact CB-CD2 3.98Å; P140-L221 HydrophobicContact CB-CG 4.34Å; P140-L221 HydrophobicContact CG-CB 4.14Å; L214-L221 HydrophobicContact CB-CD1 4.43Å; L214-L221 HydrophobicContact CD1-CD1 4.41Å; L219-L221 VanDerWaalsContact C-N 3.28Å; L219-L221 HydrophobicContact CB-CD1 3.87Å; L219-L221 HydrophobicContact CB-CG 3.99Å; L219-L221 HydrophobicContact CD1-CD1 3.85Å; L219-L221 PolarHBondContact O-N 3.34Å; L221-W223 HydrophobicContact CD1-CZ2 4.03Å; L221-W223 PolarHBondContact O-N 2.88Å
222	D	95.7	Very high	95.1	Very high	8 Å²	8	29.8 Å²	29.8	4%	0.043	16%	0.161	C	C	.	.			trans	-87.7	89.6	172	-178.9	14.7	0	0	0	111.5	L137 W138 P140 S224 R225	L137-D222 HydrophobicContact CD1-CB 3.93Å; L137-D222 WeakPolarHBondContact CD1-OD2 3.46Å; W138-D222 PolarHBondContact O-N 2.92Å; P140-D222 WeakPolarHBondContact CD-O 3.47Å; P140-D222 WeakPolarHBondContact CG-O 3.25Å; D222-S224 VanDerWaalsContact CG-OG 3.24Å; D222-S224 PolarHBondContact O-N 2.67Å; D222-S224 VanDerWaalsContact O-N 3.13Å; D222-S224 WeakPolarHBondContact OD1-CB 3.45Å; D222-S224 PolarHBondContact OD1-N 2.9Å; D222-S224 VanDerWaalsContact OD1-N 3.08Å; D222-S224 PolarHBondContact OD1-OG 3.25Å; D222-S224 PolarHBondContact OD2-OG 3.41Å; D222-R225 PolarHBondContact O-N 2.9Å; D222-R225 WeakPolarHBondContact OD2-CD 3.48Å; D222-R225 IonicContact OD2-CZ 3.74Å; D222-R225 IonicContact OD2-NE 3.89Å; D222-R225 IonicContact OD2-NH1 3.6Å; D222-R225 PolarHBondContact OD2-NH1 2.95Å
223	W	93.8	Very high	95.2	Very high	64 Å²	64	28.4 Å²	28.4	24%	0.242	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-64.7	-12.6	178.9	-66.8	101.1	0	0	0	114.4	P140 R211 L214 L221 R225 E226	P140-W223 HydrophobicContact CB-CE3 4.09Å; P140-W223 HydrophobicContact CB-CH2 4.24Å; P140-W223 HydrophobicContact CB-CZ3 3.94Å; P140-W223 HydrophobicContact CG-CD2 4.01Å; P140-W223 HydrophobicContact CG-CE3 3.77Å; P140-W223 HydrophobicContact CG-CG 4.46Å; P140-W223 HydrophobicContact CG-CZ3 4.15Å; R211-W223 HydrophobicContact CB-CH2 4.18Å; R211-W223 HydrophobicContact CG-CH2 3.72Å; R211-W223 HydrophobicContact CG-CZ2 4.04Å; R211-W223 HydrophobicContact CG-CZ3 4.06Å; L214-W223 HydrophobicContact CB-CH2 4.48Å; L214-W223 HydrophobicContact CB-CZ2 4.33Å; L214-W223 HydrophobicContact CD1-CH2 3.97Å; L221-W223 HydrophobicContact CD1-CZ2 4.03Å; L221-W223 PolarHBondContact O-N 2.88Å; W223-R225 PolarHBondContact O-N 3.28Å; W223-E226 HydrophobicContact CE3-CB 4.41Å; W223-E226 HydrophobicContact CE3-CG 4.33Å; W223-E226 HydrophobicContact CZ3-CG 4.44Å; W223-E226 WeakPolarHBondContact CZ3-OE1 3.46Å; W223-E226 PolarHBondContact O-N 3.31Å
224	S	93	Very high	95.2	Very high	78 Å²	78	28.4 Å²	28.4	55%	0.545	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-69.3	-18.9	176.9	73.1	0	0	0	0	113.3	D222	D222-S224 VanDerWaalsContact CG-OG 3.24Å; D222-S224 PolarHBondContact O-N 2.67Å; D222-S224 VanDerWaalsContact O-N 3.13Å; D222-S224 WeakPolarHBondContact OD1-CB 3.45Å; D222-S224 PolarHBondContact OD1-N 2.9Å; D222-S224 VanDerWaalsContact OD1-N 3.08Å; D222-S224 PolarHBondContact OD1-OG 3.25Å; D222-S224 PolarHBondContact OD2-OG 3.41Å
225	R	93.1	Very high	95.3	Very high	29 Å²	29	29.8 Å²	29.8	11%	0.109	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-112.5	21.8	179.4	-68.4	173.4	173.2	78.7	5.4	112.8	D86 V139 D222 W223 F227 E612	D86-R225 IonicContact OD1-CZ 2.74Å; D86-R225 IonicContact OD1-NH1 3.18Å; D86-R225 IonicContact OD1-NH2 2.8Å; D86-R225 PolarHBondContact OD1-NH2 3.49Å; D86-R225 IonicContact OD2-CZ 3.73Å; D86-R225 IonicContact OD2-NH1 2.74Å; D86-R225 PolarHBondContact OD2-NH1 3.06Å; D86-R225 IonicContact OD2-NH2 2.89Å; D86-R225 PolarHBondContact OD2-NH2 3.06Å; D86-R225 VanDerWaalsContact OD2-NH2 3.15Å; V139-R225 HydrophobicContact CG1-CB 3.77Å; V139-R225 WeakPolarHBondContact CG1-O 3.47Å; V139-R225 HydrophobicContact CG2-CB 4.45Å; D222-R225 PolarHBondContact O-N 2.9Å; D222-R225 WeakPolarHBondContact OD2-CD 3.48Å; D222-R225 IonicContact OD2-CZ 3.74Å; D222-R225 IonicContact OD2-NE 3.89Å; D222-R225 IonicContact OD2-NH1 3.6Å; D222-R225 PolarHBondContact OD2-NH1 2.95Å; W223-R225 PolarHBondContact O-N 3.28Å; R225-F227 PolarHBondContact O-N 3Å; R225-E612 IonicContact CZ-OE1 3.41Å; R225-E612 IonicContact CZ-OE2 2.69Å; R225-E612 IonicContact NE-OE1 3.13Å; R225-E612 IonicContact NE-OE2 3.77Å; R225-E612 PolarHBondContact NE-OE2 3.38Å; R225-E612 IonicContact NH2-OE1 2.78Å; R225-E612 PolarHBondContact NH2-OE1 2.72Å; R225-E612 IonicContact NH2-OE2 3.15Å; R225-E612 PolarHBondContact NH2-OE2 2.93Å; R225-E612 VanDerWaalsContact NH2-OE2 3.15Å
226	E	95.1	Very high	95.4	Very high	69 Å²	69	33.2 Å²	33.2	32%	0.322	19%	0.187	S	C	.	.			trans	-55.4	126.7	179.2	-177.8	-175.9	-144.7	0	0	111.5	P140 M142 R211 W223	P140-E226 HydrophobicContact CG-CB 4.41Å; P140-E226 WeakPolarHBondContact O-CA 3.37Å; M142-E226 VanDerWaalsContact CE-OE1 3.29Å; M142-E226 WeakPolarHBondContact CE-OE1 3.3Å; R211-E226 IonicContact CZ-OE1 3.8Å; R211-E226 IonicContact CZ-OE2 3.82Å; R211-E226 IonicContact NE-OE1 2.85Å; R211-E226 IonicContact NH2-OE1 2.99Å; R211-E226 PolarHBondContact NH2-OE1 3.2Å; R211-E226 IonicContact NH2-OE2 3.2Å; R211-E226 PolarHBondContact NH2-OE2 2.97Å; W223-E226 HydrophobicContact CE3-CB 4.41Å; W223-E226 HydrophobicContact CE3-CG 4.33Å; W223-E226 HydrophobicContact CZ3-CG 4.44Å; W223-E226 WeakPolarHBondContact CZ3-OE1 3.46Å; W223-E226 PolarHBondContact O-N 3.31Å
227	F	94.8	Very high	95.5	Very high	16 Å²	16	32.3 Å²	32.3	7%	0.07	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	154.9	176.6	69	-93	0	0	0	112.4	P104 V139 P140 G141 M142 R225 T229 L599 V603	P104-F227 HydrophobicContact CB-CE2 3.75Å; P104-F227 HydrophobicContact CB-CZ 3.85Å; P104-F227 HydrophobicContact CG-CE2 4.1Å; P104-F227 HydrophobicContact CG-CZ 4.2Å; V139-F227 HydrophobicContact CG1-CD1 3.98Å; V139-F227 HydrophobicContact CG1-CE1 4.3Å; P140-F227 WeakPolarHBondContact O-CD1 3.4Å; P140-F227 WeakPolarHBondContact O-CE1 3.44Å; P140-F227 PolarHBondContact O-N 3.43Å; G141-F227 CarbonylContact C-O 3.45Å; G141-F227 WeakPolarHBondContact CA-O 3.24Å; M142-F227 PolarHBondContact N-O 3.48Å; R225-F227 PolarHBondContact O-N 3Å; F227-T229 HydrophobicContact CE2-CG2 4.46Å; F227-L599 HydrophobicContact CD2-CD2 3.39Å; F227-L599 HydrophobicContact CE2-CD1 3.66Å; F227-L599 HydrophobicContact CE2-CD2 3.25Å; F227-L599 HydrophobicContact CE2-CG 4.09Å; F227-L599 HydrophobicContact CG-CD2 4.13Å; F227-L599 HydrophobicContact CZ-CD1 4.03Å; F227-L599 HydrophobicContact CZ-CD2 3.87Å; F227-V603 HydrophobicContact CB-CG2 4.19Å; F227-V603 HydrophobicContact CD1-CG1 4.24Å; F227-V603 HydrophobicContact CD1-CG2 3.54Å; F227-V603 HydrophobicContact CD2-CG2 4.41Å; F227-V603 HydrophobicContact CE1-CG2 3.97Å; F227-V603 HydrophobicContact CG-CG2 3.79Å
228	F	96.8	Very high	95.6	Very high	17 Å²	17	32.2 Å²	32.2	8%	0.075	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.5	164	-179.3	-127.2	0	0	0	107.5	I107 M142 H144 W200 K203 L230 S231 W532	I107-F228 HydrophobicContact CD1-CE2 4.2Å; I107-F228 HydrophobicContact CD1-CZ 3.99Å; I107-F228 HydrophobicContact CG2-CE2 4.25Å; M142-F228 HydrophobicContact CB-CD2 3.91Å; M142-F228 HydrophobicContact CB-CE2 4.39Å; M142-F228 WeakPolarHBondContact O-CA 3.46Å; M142-F228 WeakPolarHBondContact O-CD2 3.36Å; H144-F228 HydrophobicContact CB-CE2 4.11Å; H144-F228 HydrophobicContact CB-CZ 3.75Å; W200-F228 AromaticContact CH2-CD1 3.96Å; W200-F228 HydrophobicContact CH2-CD1 3.96Å; W200-F228 AromaticContact CH2-CE1 3.6Å; W200-F228 HydrophobicContact CH2-CE1 3.6Å; W200-F228 HydrophobicContact CZ3-CD1 4.01Å; W200-F228 AromaticContact CZ3-CE1 3.58Å; W200-F228 HydrophobicContact CZ3-CE1 3.58Å; K203-F228 HydrophobicContact CD-CE1 4.48Å; K203-F228 HydrophobicContact CD-CZ 4.49Å; K203-F228 HydrophobicContact CG-CE1 4.13Å; K203-F228 HydrophobicContact CG-CE2 4.14Å; K203-F228 HydrophobicContact CG-CZ 3.74Å; F228-L230 HydrophobicContact CD1-CB 3.95Å; F228-L230 HydrophobicContact CE1-CB 3.66Å; F228-L230 HydrophobicContact CE1-CD1 4.36Å; F228-L230 HydrophobicContact CE1-CG 4.45Å; F228-L230 HydrophobicContact CZ-CB 4.44Å; F228-L230 PolarHBondContact O-N 3.45Å; F228-S231 VanDerWaalsContact O-CB 3.31Å; F228-S231 WeakPolarHBondContact O-CB 3.48Å; F228-S231 PolarHBondContact O-N 3.07Å; F228-S231 PolarHBondContact O-OG 3.35Å; F228-W532 HydrophobicContact CE1-CZ2 4.37Å; F228-W532 HydrophobicContact CZ-CZ2 4.03Å
229	T	96.8	Very high	95.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-10.9	-174.1	49.8	0	0	0	0	114.2	M142 D143 H144 F227 H234 H534 L599	M142-T229 PolarHBondContact O-N 2.87Å; M142-T229 VanDerWaalsContact O-N 3.16Å; D143-T229 WeakPolarHBondContact CA-OG1 3.28Å; D143-T229 HydrophobicContact CB-CG2 4.48Å; D143-T229 WeakPolarHBondContact OD1-CB 3.49Å; D143-T229 WeakPolarHBondContact OD1-CG2 3.37Å; D143-T229 PolarHBondContact OD1-OG1 2.99Å; H144-T229 PolarHBondContact N-OG1 3.05Å; H144-T229 PolarHBondContact ND1-OG1 2.87Å; F227-T229 HydrophobicContact CE2-CG2 4.46Å; T229-H234 PolarHBondContact O-CD2 3.21Å; T229-H534 PolarHBondContact O-CE1 3.33Å; T229-H534 PolarHBondContact O-NE2 2.98Å; T229-L599 HydrophobicContact CG2-CD1 3.91Å; T229-L599 HydrophobicContact CG2-CD2 4Å; T229-L599 HydrophobicContact CG2-CG 4.24Å
230	L	96.4	Very high	95.8	Very high	21 Å²	21	34 Å²	34	11%	0.11	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	19.9	167.9	-71.9	168.3	0	0	0	113.2	H144 W200 F228 W532	H144-L230 HydrophobicContact CB-CD1 3.41Å; H144-L230 VanDerWaalsContact CB-CD1 3.41Å; H144-L230 HydrophobicContact CB-CG 3.68Å; W200-L230 HydrophobicContact CH2-CB 4.33Å; F228-L230 HydrophobicContact CD1-CB 3.95Å; F228-L230 HydrophobicContact CE1-CB 3.66Å; F228-L230 HydrophobicContact CE1-CD1 4.36Å; F228-L230 HydrophobicContact CE1-CG 4.45Å; F228-L230 HydrophobicContact CZ-CB 4.44Å; F228-L230 PolarHBondContact O-N 3.45Å; L230-W532 HydrophobicContact CD1-CD2 4.04Å; L230-W532 HydrophobicContact CD1-CE3 4.26Å; L230-W532 HydrophobicContact CD1-CH2 3.65Å; L230-W532 HydrophobicContact CD1-CZ2 3.39Å; L230-W532 HydrophobicContact CD1-CZ3 4.08Å
231	S	95.3	Very high	96	Very high	22 Å²	22	34 Å²	34	15%	0.154	19%	0.19	C	C	.	.	S	Bend	trans	-63.4	153.9	171.5	70.7	0	0	0	0	110.1	F228 S233 H234 S235	F228-S231 VanDerWaalsContact O-CB 3.31Å; F228-S231 WeakPolarHBondContact O-CB 3.48Å; F228-S231 PolarHBondContact O-N 3.07Å; F228-S231 PolarHBondContact O-OG 3.35Å; S231-S233 VanDerWaalsContact C-N 3.31Å; S231-S233 PolarHBondContact O-N 3.38Å; S231-S233 PolarHBondContact OG-OG 3.46Å; S231-S233 VanDerWaalsContact OG-OG 3.11Å; S231-H234 PolarHBondContact O-N 3.37Å; S231-H234 WeakPolarHBondContact OG-CB 3.21Å; S231-H234 PolarHBondContact OG-N 3.31Å; S231-S235 WeakPolarHBondContact O-CB 3.28Å; S231-S235 PolarHBondContact O-N 3.49Å; S231-S235 PolarHBondContact O-OG 3.4Å
232	P	95.2	Very high	96.1	Very high	102 Å²	102	33.9 Å²	33.9	66%	0.662	19%	0.189	S	C	*	.	H	α-helix	trans	-54.1	-46.7	177.1	-28.6	36.1	0	0	0	112.7	H234 S235 E236	P232-H234 PolarHBondContact O-N 3.04Å; P232-S235 WeakPolarHBondContact O-CB 3.38Å; P232-S235 PolarHBondContact O-N 3.38Å; P232-S235 VanDerWaalsContact O-N 3.17Å; P232-E236 WeakPolarHBondContact O-CG 3.5Å; P232-E236 PolarHBondContact O-N 3.46Å
233	S	93.5	Very high	96.2	Very high	76 Å²	76	33.8 Å²	33.8	53%	0.531	19%	0.189	S	C	.	.	H	α-helix	trans	-59.1	-44.8	178.1	55	0	0	0	0	112.9	S231 S235 E236 C237	S231-S233 VanDerWaalsContact C-N 3.31Å; S231-S233 PolarHBondContact O-N 3.38Å; S231-S233 PolarHBondContact OG-OG 3.46Å; S231-S233 VanDerWaalsContact OG-OG 3.11Å; S233-S235 VanDerWaalsContact C-N 3.35Å; S233-E236 PolarHBondContact O-N 3.02Å; S233-C237 PolarHBondContact O-N 2.69Å; S233-C237 PolarHBondContact O-SG 3.08Å
234	H	96.4	Very high	96.4	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.019	19%	0.193	C	C	.	.	H	α-helix	trans	-69.7	-35.5	178	-167.6	88.1	0	0	0	111.5	T229 S231 P232 E236 C237 V238 S595 S602	T229-H234 PolarHBondContact O-CD2 3.21Å; S231-H234 PolarHBondContact O-N 3.37Å; S231-H234 WeakPolarHBondContact OG-CB 3.21Å; S231-H234 PolarHBondContact OG-N 3.31Å; P232-H234 PolarHBondContact O-N 3.04Å; H234-E236 VanDerWaalsContact C-N 3.32Å; H234-E236 PolarHBondContact O-N 2.67Å; H234-C237 WeakPolarHBondContact O-CA 3.44Å; H234-C237 WeakPolarHBondContact O-CB 3.22Å; H234-C237 PolarHBondContact O-N 2.95Å; H234-C237 VanDerWaalsContact O-N 3.11Å; H234-V238 WeakPolarHBondContact O-CG2 3.49Å; H234-V238 PolarHBondContact O-N 3.42Å; H234-S595 PolarHBondContact CE1-O 2.62Å; H234-S595 VanDerWaalsContact CE1-O 3.29Å; H234-S595 PolarHBondContact NE2-O 2.99Å; H234-S602 PolarHBondContact CE1-OG 3.32Å; H234-S602 PolarHBondContact ND1-OG 2.8Å
235	S	96.8	Very high	96.6	Very high	33 Å²	33	31.2 Å²	31.2	23%	0.231	17%	0.167	C	C	.	.	H	α-helix	trans	-64.4	-37	177.6	-58.6	0	0	0	0	112	S231 P232 S233 C237 V238 T239	S231-S235 WeakPolarHBondContact O-CB 3.28Å; S231-S235 PolarHBondContact O-N 3.49Å; S231-S235 PolarHBondContact O-OG 3.4Å; P232-S235 WeakPolarHBondContact O-CB 3.38Å; P232-S235 PolarHBondContact O-N 3.38Å; P232-S235 VanDerWaalsContact O-N 3.17Å; S233-S235 VanDerWaalsContact C-N 3.35Å; S235-C237 VanDerWaalsContact C-N 3.31Å; S235-C237 PolarHBondContact O-N 3.41Å; S235-V238 PolarHBondContact O-N 3Å; S235-T239 PolarHBondContact O-N 2.93Å; S235-T239 PolarHBondContact O-OG1 2.82Å; S235-T239 VanDerWaalsContact O-OG1 3.09Å
236	E	96.5	Very high	96.9	Very high	116 Å²	116	33.7 Å²	33.7	54%	0.542	18%	0.177	S	C	.	.	H	α-helix	trans	-60.9	-40.8	171.6	-71.6	170.6	-164.1	0	0	111.5	P232 S233 H234 T239 E240	P232-E236 WeakPolarHBondContact O-CG 3.5Å; P232-E236 PolarHBondContact O-N 3.46Å; S233-E236 PolarHBondContact O-N 3.02Å; H234-E236 VanDerWaalsContact C-N 3.32Å; H234-E236 PolarHBondContact O-N 2.67Å; E236-T239 PolarHBondContact O-N 3.05Å; E236-E240 WeakPolarHBondContact O-CB 3.33Å; E236-E240 PolarHBondContact O-N 3.05Å
237	C	97.5	Very high	97	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.027	19%	0.193	C	C	.	.	H	α-helix	trans	-60.9	-48.1	174.1	-51.6	0	0	0	0	111.1	S233 H234 S235 T239 E240 A241 L598 S602 W606	S233-C237 PolarHBondContact O-N 2.69Å; S233-C237 PolarHBondContact O-SG 3.08Å; H234-C237 WeakPolarHBondContact O-CA 3.44Å; H234-C237 WeakPolarHBondContact O-CB 3.22Å; H234-C237 PolarHBondContact O-N 2.95Å; H234-C237 VanDerWaalsContact O-N 3.11Å; S235-C237 VanDerWaalsContact C-N 3.31Å; S235-C237 PolarHBondContact O-N 3.41Å; C237-T239 VanDerWaalsContact C-N 3.28Å; C237-T239 PolarHBondContact O-N 2.72Å; C237-E240 PolarHBondContact O-N 2.94Å; C237-A241 WeakPolarHBondContact O-CB 3.04Å; C237-A241 PolarHBondContact O-N 3.39Å; C237-L598 HydrophobicContact CB-CD1 4.42Å; C237-S602 VanDerWaalsContact SG-CB 3.51Å; C237-W606 HydrophobicContact CB-CE3 3.8Å; C237-W606 HydrophobicContact CB-CZ3 3.8Å; C237-W606 VanDerWaalsContact O-CZ3 3.24Å; C237-W606 WeakPolarHBondContact O-CZ3 3.48Å; C237-W606 PolarHBondContact SG-O 2.7Å
238	V	98.2	Very high	97.1	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-59	-44.5	-179.1	174.1	0	0	0	0	111	H234 S235 A241 F242 H534 L590 F594 L598	H234-V238 WeakPolarHBondContact O-CG2 3.49Å; H234-V238 PolarHBondContact O-N 3.42Å; S235-V238 PolarHBondContact O-N 3Å; V238-A241 PolarHBondContact O-N 3.42Å; V238-F242 PolarHBondContact O-N 3.24Å; V238-H534 HydrophobicContact CG1-CB 3.98Å; V238-L590 HydrophobicContact CG1-CD1 3.44Å; V238-L590 VanDerWaalsContact CG1-CD1 3.44Å; V238-F594 HydrophobicContact CG1-CD1 4.07Å; V238-F594 HydrophobicContact CG1-CE1 4.05Å; V238-L598 HydrophobicContact CB-CD1 4.31Å; V238-L598 HydrophobicContact CG2-CD1 3.81Å
239	T	98	Very high	97.1	Very high	29 Å²	29	39.1 Å²	39.1	18%	0.178	23%	0.226	C	C	.	.	H	α-helix	trans	-60.9	-49.3	176	-63.6	0	0	0	0	111.5	S235 E236 C237 A241 F242 L243 P537 R562	S235-T239 PolarHBondContact O-N 2.93Å; S235-T239 PolarHBondContact O-OG1 2.82Å; S235-T239 VanDerWaalsContact O-OG1 3.09Å; E236-T239 PolarHBondContact O-N 3.05Å; C237-T239 VanDerWaalsContact C-N 3.28Å; C237-T239 PolarHBondContact O-N 2.72Å; T239-A241 VanDerWaalsContact C-N 3.35Å; T239-A241 PolarHBondContact O-N 3.42Å; T239-F242 PolarHBondContact O-N 2.92Å; T239-L243 HydrophobicContact CG2-CD1 3.97Å; T239-L243 WeakPolarHBondContact O-CD1 3.29Å; T239-L243 PolarHBondContact O-N 2.84Å; T239-P537 HydrophobicContact CG2-CB 3.92Å; T239-P537 HydrophobicContact CG2-CG 4.35Å; T239-R562 VanDerWaalsContact CG2-CA 3.5Å; T239-R562 HydrophobicContact CG2-CB 3.86Å; T239-R562 HydrophobicContact CG2-CG 4.09Å
240	E	98	Very high	97.2	Very high	22 Å²	22	39.9 Å²	39.9	10%	0.103	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-41.3	178.3	-177.5	66.4	-165.9	0	0	112.4	E236 C237 F242 L243 R244 R562 W606 P607	E236-E240 WeakPolarHBondContact O-CB 3.33Å; E236-E240 PolarHBondContact O-N 3.05Å; C237-E240 PolarHBondContact O-N 2.94Å; E240-F242 VanDerWaalsContact C-N 3.34Å; E240-F242 PolarHBondContact O-N 3.48Å; E240-L243 PolarHBondContact O-N 2.84Å; E240-R244 HydrophobicContact CG-CG 4.48Å; E240-R244 WeakPolarHBondContact O-CG 3.33Å; E240-R244 PolarHBondContact O-N 2.78Å; E240-R244 IonicContact OE1-CZ 3.05Å; E240-R244 IonicContact OE1-NE 2.9Å; E240-R244 PolarHBondContact OE1-NE 2.99Å; E240-R244 IonicContact OE1-NH2 2.86Å; E240-R244 PolarHBondContact OE1-NH2 3.25Å; E240-R244 VanDerWaalsContact OE1-NH2 3.13Å; E240-R562 IonicContact OE1-NH2 2.79Å; E240-R562 PolarHBondContact OE1-NH2 2.75Å; E240-R562 IonicContact OE2-CZ 3.89Å; E240-R562 IonicContact OE2-NE 2.81Å; E240-R562 PolarHBondContact OE2-NE 3.02Å; E240-R562 IonicContact OE2-NH2 3.75Å; E240-R562 PolarHBondContact OE2-NH2 3.05Å; E240-W606 HydrophobicContact CB-CH2 4.01Å; E240-W606 HydrophobicContact CB-CZ3 4.27Å; E240-W606 HydrophobicContact CG-CH2 3.85Å; E240-W606 HydrophobicContact CG-CZ2 4.22Å; E240-W606 HydrophobicContact CG-CZ3 4.48Å; E240-P607 HydrophobicContact CB-CB 4.31Å; E240-P607 HydrophobicContact CB-CG 3.93Å; E240-P607 HydrophobicContact CG-CB 3.67Å; E240-P607 HydrophobicContact CG-CG 3.76Å
241	A	98.4	Very high	97.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-44.5	177.9	0	0	0	0	0	111.1	C237 V238 T239 R244 L245 F594 L598 W606 L642	C237-A241 WeakPolarHBondContact O-CB 3.04Å; C237-A241 PolarHBondContact O-N 3.39Å; V238-A241 PolarHBondContact O-N 3.42Å; T239-A241 VanDerWaalsContact C-N 3.35Å; T239-A241 PolarHBondContact O-N 3.42Å; A241-R244 PolarHBondContact O-N 3.4Å; A241-L245 WeakPolarHBondContact O-CB 3.29Å; A241-L245 WeakPolarHBondContact O-CD1 3.45Å; A241-L245 VanDerWaalsContact O-CG 3.3Å; A241-L245 WeakPolarHBondContact O-CG 3.4Å; A241-L245 PolarHBondContact O-N 3.26Å; A241-F594 HydrophobicContact CB-CZ 4.4Å; A241-L598 HydrophobicContact CB-CD1 3.69Å; A241-L598 HydrophobicContact CB-CD2 3.92Å; A241-L598 HydrophobicContact CB-CG 4.49Å; A241-W606 HydrophobicContact CB-CH2 3.89Å; A241-W606 HydrophobicContact CB-CZ3 4.22Å; A241-L642 HydrophobicContact CB-CD1 3.67Å; A241-L642 HydrophobicContact CB-CD2 4.47Å
242	F	98.5	Very high	97.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60	-47.3	175.6	-170.3	-78.9	0	0	0	111.1	V238 T239 E240 R244 L245 Y246 I251 W481 I526 I536 P537 V560 L590 F594	V238-F242 PolarHBondContact O-N 3.24Å; T239-F242 PolarHBondContact O-N 2.92Å; E240-F242 VanDerWaalsContact C-N 3.34Å; E240-F242 PolarHBondContact O-N 3.48Å; F242-R244 PolarHBondContact O-N 3.28Å; F242-L245 PolarHBondContact O-N 3.49Å; F242-Y246 VanDerWaalsContact O-CB 3.29Å; F242-Y246 WeakPolarHBondContact O-CB 3.33Å; F242-Y246 PolarHBondContact O-N 2.89Å; F242-I251 HydrophobicContact CB-CD1 4.43Å; F242-I251 HydrophobicContact CD1-CD1 4.31Å; F242-I251 HydrophobicContact CD2-CD1 3.61Å; F242-I251 HydrophobicContact CE1-CG2 4.22Å; F242-I251 HydrophobicContact CE2-CD1 3.84Å; F242-I251 HydrophobicContact CE2-CG2 4.04Å; F242-I251 HydrophobicContact CG-CD1 3.87Å; F242-I251 HydrophobicContact CZ-CD1 4.31Å; F242-I251 HydrophobicContact CZ-CG2 3.72Å; F242-W481 HydrophobicContact CZ-CD2 4.27Å; F242-W481 AromaticContact CZ-CE3 3.96Å; F242-W481 HydrophobicContact CZ-CE3 3.96Å; F242-W481 HydrophobicContact CZ-CZ3 4.16Å; F242-I526 HydrophobicContact CD2-CD1 4.19Å; F242-I526 HydrophobicContact CE2-CD1 3.81Å; F242-I536 HydrophobicContact CE1-CG2 4.4Å; F242-I536 HydrophobicContact CE2-CG2 3.79Å; F242-I536 HydrophobicContact CZ-CG2 3.63Å; F242-P537 HydrophobicContact CB-CG 3.71Å; F242-P537 HydrophobicContact CD1-CG 3.53Å; F242-P537 HydrophobicContact CD2-CG 4.29Å; F242-P537 HydrophobicContact CE1-CG 4.19Å; F242-P537 HydrophobicContact CG-CG 3.58Å; F242-V560 HydrophobicContact CD1-CG1 3.57Å; F242-V560 HydrophobicContact CE1-CB 4.41Å; F242-V560 HydrophobicContact CE1-CG1 3.59Å; F242-V560 HydrophobicContact CE1-CG2 3.87Å; F242-L590 HydrophobicContact CD2-CD1 4.35Å; F242-L590 HydrophobicContact CD2-CD2 3.85Å; F242-L590 HydrophobicContact CE2-CD2 3.91Å; F242-F594 HydrophobicContact CB-CE1 4.31Å; F242-F594 HydrophobicContact CB-CZ 4.23Å; F242-F594 HydrophobicContact CD2-CZ 4.37Å
243	L	98.1	Very high	97.3	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-59.5	-47.2	178.1	-94.7	76.5	0	0	0	112.3	T239 E240 L245 Y246 N247 P537 V560 R562	T239-L243 HydrophobicContact CG2-CD1 3.97Å; T239-L243 WeakPolarHBondContact O-CD1 3.29Å; T239-L243 PolarHBondContact O-N 2.84Å; E240-L243 PolarHBondContact O-N 2.84Å; L243-L245 PolarHBondContact O-N 3.36Å; L243-Y246 PolarHBondContact O-N 3.27Å; L243-N247 WeakPolarHBondContact O-CB 3.25Å; L243-N247 PolarHBondContact O-N 2.95Å; L243-N247 PolarHBondContact O-ND2 3.19Å; L243-P537 HydrophobicContact CD1-CB 4.35Å; L243-P537 HydrophobicContact CD1-CG 4.31Å; L243-V560 HydrophobicContact CD1-CG1 3.81Å; L243-V560 HydrophobicContact CG-CG1 3.93Å; L243-R562 HydrophobicContact CD1-CG 4.29Å; L243-R562 HydrophobicContact CD2-CG 3.47Å; L243-R562 VanDerWaalsContact CD2-CG 3.47Å
244	R	98	Very high	97.3	Very high	88 Å²	88	36.6 Å²	36.6	33%	0.332	20%	0.198	S	C	.	.	H	α-helix	trans	-63.8	-42.3	-179.5	-70.3	-175	-170.4	-165	4.6	112.3	E240 A241 F242 A248 L642	E240-R244 HydrophobicContact CG-CG 4.48Å; E240-R244 WeakPolarHBondContact O-CG 3.33Å; E240-R244 PolarHBondContact O-N 2.78Å; E240-R244 IonicContact OE1-CZ 3.05Å; E240-R244 IonicContact OE1-NE 2.9Å; E240-R244 PolarHBondContact OE1-NE 2.99Å; E240-R244 IonicContact OE1-NH2 2.86Å; E240-R244 PolarHBondContact OE1-NH2 3.25Å; E240-R244 VanDerWaalsContact OE1-NH2 3.13Å; A241-R244 PolarHBondContact O-N 3.4Å; F242-R244 PolarHBondContact O-N 3.28Å; R244-A248 WeakPolarHBondContact O-CB 3.24Å; R244-A248 PolarHBondContact O-N 3.45Å; R244-L642 HydrophobicContact CB-CD2 3.89Å
245	L	98.4	Very high	97	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.6	-39.4	176.1	-72.4	164.2	0	0	0	111.9	A241 F242 L243 A248 G249 L250 I251 F594 L638 F641	A241-L245 WeakPolarHBondContact O-CB 3.29Å; A241-L245 WeakPolarHBondContact O-CD1 3.45Å; A241-L245 VanDerWaalsContact O-CG 3.3Å; A241-L245 WeakPolarHBondContact O-CG 3.4Å; A241-L245 PolarHBondContact O-N 3.26Å; F242-L245 PolarHBondContact O-N 3.49Å; L243-L245 PolarHBondContact O-N 3.36Å; L245-A248 PolarHBondContact O-N 3.33Å; L245-G249 PolarHBondContact O-N 3.46Å; L245-L250 HydrophobicContact CB-CB 4.48Å; L245-L250 HydrophobicContact CD2-CB 4.16Å; L245-L250 HydrophobicContact CD2-CD1 3.82Å; L245-L250 WeakPolarHBondContact O-CA 3.41Å; L245-L250 WeakPolarHBondContact O-CB 3.36Å; L245-L250 PolarHBondContact O-N 2.84Å; L245-I251 HydrophobicContact CB-CD1 3.53Å; L245-I251 HydrophobicContact CB-CG1 3.77Å; L245-I251 HydrophobicContact CD1-CD1 4.05Å; L245-I251 HydrophobicContact CG-CD1 4.46Å; L245-I251 PolarHBondContact O-N 2.98Å; L245-F594 HydrophobicContact CD1-CE2 3.63Å; L245-F594 HydrophobicContact CD1-CZ 3.81Å; L245-L638 HydrophobicContact CD1-CD2 3.93Å; L245-L638 HydrophobicContact CD2-CD2 4.39Å; L245-F641 HydrophobicContact CD2-CD1 3.45Å; L245-F641 VanDerWaalsContact CD2-CD1 3.45Å; L245-F641 HydrophobicContact CD2-CE1 3.41Å; L245-F641 VanDerWaalsContact CD2-CE1 3.41Å; L245-F641 HydrophobicContact CD2-CG 4.24Å; L245-F641 HydrophobicContact CD2-CZ 4.14Å; L245-F641 HydrophobicContact CG-CD1 4.18Å; L245-F641 HydrophobicContact CG-CE1 3.92Å
246	Y	98	Very high	96.8	Very high	81 Å²	81	42.2 Å²	42.2	32%	0.318	23%	0.225	S	C	.	.	H	α-helix	trans	-64	-48.3	175.3	-179.7	-99.8	0	0	0	111.9	F242 L243 A248 G249 I251 W481 V560	F242-Y246 VanDerWaalsContact O-CB 3.29Å; F242-Y246 WeakPolarHBondContact O-CB 3.33Å; F242-Y246 PolarHBondContact O-N 2.89Å; L243-Y246 PolarHBondContact O-N 3.27Å; Y246-A248 PolarHBondContact O-N 2.83Å; Y246-G249 WeakPolarHBondContact O-CA 3.37Å; Y246-G249 PolarHBondContact O-N 3.34Å; Y246-I251 HydrophobicContact CD2-CB 4.35Å; Y246-I251 HydrophobicContact CD2-CG2 4.15Å; Y246-W481 HydrophobicContact CD2-CZ3 4.4Å; Y246-W481 HydrophobicContact CE2-CZ3 4.29Å; Y246-V560 HydrophobicContact CD1-CB 3.65Å; Y246-V560 HydrophobicContact CD1-CG1 4.08Å; Y246-V560 HydrophobicContact CD1-CG2 3.73Å; Y246-V560 HydrophobicContact CD2-CB 4.49Å; Y246-V560 HydrophobicContact CD2-CG2 3.7Å; Y246-V560 HydrophobicContact CE1-CB 3.83Å; Y246-V560 HydrophobicContact CE1-CG2 3.72Å; Y246-V560 HydrophobicContact CE2-CG2 3.69Å; Y246-V560 HydrophobicContact CG-CB 4Å; Y246-V560 HydrophobicContact CG-CG1 4.13Å; Y246-V560 HydrophobicContact CG-CG2 3.71Å
247	N	97.4	Very high	96.4	Very high	125 Å²	125	37.8 Å²	37.8	67%	0.668	20%	0.204	S	C	*	.	H	α-helix	trans	-63.5	-29.1	178.5	-70.3	-18.3	0	0	0	112.8	L243 G249	L243-N247 WeakPolarHBondContact O-CB 3.25Å; L243-N247 PolarHBondContact O-N 2.95Å; L243-N247 PolarHBondContact O-ND2 3.19Å; N247-G249 PolarHBondContact O-N 2.9Å
248	A	97.8	Very high	96.2	Very high	55 Å²	55	38.2 Å²	38.2	46%	0.455	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	1.9	172.5	0	0	0	0	0	113.9	R244 L245 Y246 L250 F641	R244-A248 WeakPolarHBondContact O-CB 3.24Å; R244-A248 PolarHBondContact O-N 3.45Å; L245-A248 PolarHBondContact O-N 3.33Å; Y246-A248 PolarHBondContact O-N 2.83Å; A248-L250 HydrophobicContact CB-CD1 4.44Å; A248-L250 HydrophobicContact CB-CG 4.35Å; A248-L250 PolarHBondContact O-N 3.34Å; A248-F641 HydrophobicContact CB-CE2 4.13Å; A248-F641 HydrophobicContact CB-CZ 3.54Å
249	G	97.3	Very high	96.1	Very high	36 Å²	36	39.2 Å²	39.2	37%	0.371	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	25.4	-176.6	0	0	0	0	0	112.9	L245 Y246 N247 R484	L245-G249 PolarHBondContact O-N 3.46Å; Y246-G249 WeakPolarHBondContact O-CA 3.37Å; Y246-G249 PolarHBondContact O-N 3.34Å; N247-G249 PolarHBondContact O-N 2.9Å; G249-R484 PolarHBondContact O-NH1 3.36Å
250	L	97.8	Very high	96	Very high	16 Å²	16	37.9 Å²	37.9	8%	0.084	20%	0.204	C	C	.	.			trans	-94.4	-27	175.2	-66.9	175.6	0	0	0	112.2	L245 A248 V483 R484 L488 F641	L245-L250 HydrophobicContact CB-CB 4.48Å; L245-L250 HydrophobicContact CD2-CB 4.16Å; L245-L250 HydrophobicContact CD2-CD1 3.82Å; L245-L250 WeakPolarHBondContact O-CA 3.41Å; L245-L250 WeakPolarHBondContact O-CB 3.36Å; L245-L250 PolarHBondContact O-N 2.84Å; A248-L250 HydrophobicContact CB-CD1 4.44Å; A248-L250 HydrophobicContact CB-CG 4.35Å; A248-L250 PolarHBondContact O-N 3.34Å; L250-V483 CarbonylContact O-C 3.55Å; L250-V483 WeakPolarHBondContact O-CA 3.33Å; L250-R484 HydrophobicContact CD2-CB 3.94Å; L250-R484 PolarHBondContact O-N 3.35Å; L250-L488 HydrophobicContact CD1-CD2 4.12Å; L250-F641 HydrophobicContact CD1-CD2 3.81Å; L250-F641 HydrophobicContact CD1-CE1 4.27Å; L250-F641 HydrophobicContact CD1-CE2 3.4Å; L250-F641 VanDerWaalsContact CD1-CE2 3.4Å; L250-F641 HydrophobicContact CD1-CG 4.4Å; L250-F641 HydrophobicContact CD1-CZ 3.68Å
251	I	98	Very high	95.8	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.026	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	133.5	171.4	-72.9	172.6	0	0	0	110.4	F242 L245 Y246 W481 F482 V483 I526 F594	F242-I251 HydrophobicContact CB-CD1 4.43Å; F242-I251 HydrophobicContact CD1-CD1 4.31Å; F242-I251 HydrophobicContact CD2-CD1 3.61Å; F242-I251 HydrophobicContact CE1-CG2 4.22Å; F242-I251 HydrophobicContact CE2-CD1 3.84Å; F242-I251 HydrophobicContact CE2-CG2 4.04Å; F242-I251 HydrophobicContact CG-CD1 3.87Å; F242-I251 HydrophobicContact CZ-CD1 4.31Å; F242-I251 HydrophobicContact CZ-CG2 3.72Å; L245-I251 HydrophobicContact CB-CD1 3.53Å; L245-I251 HydrophobicContact CB-CG1 3.77Å; L245-I251 HydrophobicContact CD1-CD1 4.05Å; L245-I251 HydrophobicContact CG-CD1 4.46Å; L245-I251 PolarHBondContact O-N 2.98Å; Y246-I251 HydrophobicContact CD2-CB 4.35Å; Y246-I251 HydrophobicContact CD2-CG2 4.15Å; I251-W481 HydrophobicContact CG2-CE3 3.58Å; I251-W481 HydrophobicContact CG2-CZ3 3.95Å; I251-F482 VanDerWaalsContact CA-O 3.31Å; I251-F482 WeakPolarHBondContact CA-O 3.43Å; I251-V483 HydrophobicContact CD1-CG2 4.34Å; I251-V483 HydrophobicContact CG1-CG2 3.84Å; I251-I526 HydrophobicContact CD1-CD1 4.01Å; I251-I526 HydrophobicContact CG1-CD1 4.24Å; I251-F594 HydrophobicContact CD1-CE2 4.47Å; I251-F594 HydrophobicContact CD1-CZ 4.43Å
252	Y	96.3	Very high	95.6	Very high	52 Å²	52	37 Å²	37	20%	0.204	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	161	175.5	68.8	-77	0	0	0	110.8	W481 F482 R484 D523	Y252-W481 WeakPolarHBondContact O-CA 3.45Å; Y252-F482 HydrophobicContact CD1-CB 4.24Å; Y252-F482 HydrophobicContact CE1-CB 3.62Å; Y252-F482 HydrophobicContact CE2-CB 4.22Å; Y252-F482 HydrophobicContact CE2-CD2 4.42Å; Y252-F482 PolarHBondContact N-O 3.27Å; Y252-F482 PolarHBondContact O-N 3.36Å; Y252-R484 HydrophobicContact CD1-CG 3.82Å; Y252-R484 VanDerWaalsContact CD1-CZ 3.49Å; Y252-R484 HydrophobicContact CE1-CG 3.52Å; Y252-D523 HydrophobicContact CE1-CB 4.48Å; Y252-D523 WeakPolarHBondContact OH-CB 3.47Å; Y252-D523 PolarHBondContact OH-OD2 2.92Å
253	Q	94.6	Very high	95.3	Very high	47 Å²	47	39.8 Å²	39.8	22%	0.22	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	136.5	174.4	-159.7	-175.4	41.6	0	0	109.6	K479 Q480 W481	Q253-K479 HydrophobicContact CG-CD 4.43Å; Q253-K479 HydrophobicContact CG-CG 3.81Å; Q253-Q480 WeakPolarHBondContact CA-O 3.39Å; Q253-Q480 WeakPolarHBondContact CG-O 3.44Å; Q253-W481 HydrophobicContact CB-CD2 4.17Å; Q253-W481 HydrophobicContact CB-CE3 4.1Å; Q253-W481 HydrophobicContact CB-CH2 4.45Å; Q253-W481 HydrophobicContact CB-CZ2 4.5Å; Q253-W481 HydrophobicContact CB-CZ3 4.26Å; Q253-W481 HydrophobicContact CG-CD2 4.25Å
254	S	93.3	Very high	95	Very high	48 Å²	48	39.8 Å²	39.8	34%	0.336	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	152.4	178.6	-168.3	0	0	0	0	111.7	K479 Q480	S254-K479 WeakPolarHBondContact O-CA 3.46Å; S254-Q480 PolarHBondContact N-O 3.45Å; S254-Q480 PolarHBondContact O-N 3.47Å
255	E	91.2	Very high	94.8	Very high	117 Å²	117	37.8 Å²	37.8	55%	0.547	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	117.1	166.8	-65.5	-167.2	144.8	0	0	109.6	I477 K479	E255-I477 HydrophobicContact CB-CG2 4.06Å; E255-K479 HydrophobicContact CG-CB 4.09Å; E255-K479 HydrophobicContact CG-CG 4.26Å
256	S	90.7	Very high	94.6	Very high	39 Å²	39	37.8 Å²	37.8	27%	0.273	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	160.5	178.6	-174.7	0	0	0	0	110.4	I258 I477 K478	S256-I258 PolarHBondContact O-N 2.91Å; S256-I477 WeakPolarHBondContact O-CA 3.26Å; S256-K478 PolarHBondContact N-O 3.45Å; S256-K478 VanDerWaalsContact N-O 3.16Å; S256-K478 PolarHBondContact O-N 3.38Å; S256-K478 VanDerWaalsContact O-N 3.08Å
257	F	89.7	Confident	94.5	Very high	23 Å²	23	34 Å²	34	10%	0.101	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	131.9	165.7	-93.1	-85.2	0	0	0	110.3	P391 S394 Q395 W398 P475 M476 I477	F257-P391 VanDerWaalsContact CZ-O 3.3Å; F257-P391 WeakPolarHBondContact CZ-O 3.19Å; F257-S394 VanDerWaalsContact CZ-C 3.48Å; F257-S394 WeakPolarHBondContact CZ-O 3.43Å; F257-Q395 HydrophobicContact CB-CB 4.35Å; F257-Q395 HydrophobicContact CB-CG 4.37Å; F257-Q395 HydrophobicContact CD1-CB 4.18Å; F257-Q395 HydrophobicContact CD2-CB 4.07Å; F257-Q395 HydrophobicContact CD2-CG 4.18Å; F257-Q395 HydrophobicContact CG-CB 3.89Å; F257-Q395 HydrophobicContact CG-CG 4.23Å; F257-W398 HydrophobicContact CD2-CB 4.18Å; F257-W398 AromaticContact CD2-CD2 3.87Å; F257-W398 HydrophobicContact CD2-CD2 3.87Å; F257-W398 AromaticContact CD2-CE3 3.64Å; F257-W398 HydrophobicContact CD2-CE3 3.64Å; F257-W398 HydrophobicContact CD2-CG 4.17Å; F257-W398 HydrophobicContact CD2-CZ3 4.12Å; F257-W398 HydrophobicContact CE2-CB 3.27Å; F257-W398 AromaticContact CE2-CD2 3.62Å; F257-W398 HydrophobicContact CE2-CD2 3.62Å; F257-W398 AromaticContact CE2-CE3 3.87Å; F257-W398 HydrophobicContact CE2-CE3 3.87Å; F257-W398 AromaticContact CE2-CG 3.44Å; F257-W398 HydrophobicContact CE2-CG 3.44Å; F257-W398 VanDerWaalsContact CE2-CG 3.44Å; F257-W398 HydrophobicContact CZ-CB 3.94Å; F257-W398 HydrophobicContact CZ-CG 4.41Å; F257-P475 HydrophobicContact CD1-CB 3.71Å; F257-P475 HydrophobicContact CE1-CB 3.83Å; F257-M476 WeakPolarHBondContact CA-O 3.37Å; F257-I477 HydrophobicContact CD1-CG1 4.42Å; F257-I477 HydrophobicContact CD2-CD1 4.44Å; F257-I477 HydrophobicContact CD2-CG1 3.78Å; F257-I477 HydrophobicContact CE1-CG1 4.07Å; F257-I477 HydrophobicContact CE2-CD1 3.6Å; F257-I477 HydrophobicContact CE2-CG1 3.31Å; F257-I477 HydrophobicContact CG-CG1 4.31Å; F257-I477 HydrophobicContact CZ-CD1 3.85Å; F257-I477 HydrophobicContact CZ-CG1 3.52Å
258	I	93.1	Very high	94.3	Very high	13 Å²	13	28.4 Å²	28.4	7%	0.067	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147.1	173.5	59.6	155.9	0	0	0	110.6	S256 W260 A267 M476 K478 Q480	S256-I258 PolarHBondContact O-N 2.91Å; I258-W260 HydrophobicContact CD1-CE3 3.55Å; I258-W260 HydrophobicContact CD1-CZ3 4.08Å; I258-W260 PolarHBondContact O-N 3.08Å; I258-W260 VanDerWaalsContact O-N 3.14Å; I258-A267 HydrophobicContact CD1-CB 3.65Å; I258-M476 VanDerWaalsContact CG1-O 3.29Å; I258-M476 WeakPolarHBondContact CG1-O 3.2Å; I258-M476 PolarHBondContact N-O 2.93Å; I258-M476 PolarHBondContact O-N 2.82Å; I258-M476 VanDerWaalsContact O-N 3.1Å; I258-K478 HydrophobicContact CD1-CB 3.69Å; I258-K478 HydrophobicContact CD1-CG 3.65Å; I258-K478 HydrophobicContact CG1-CB 3.97Å; I258-K478 HydrophobicContact CG1-CG 4.01Å; I258-Q480 HydrophobicContact CD1-CG 4.29Å; I258-Q480 HydrophobicContact CG2-CG 3.94Å
259	S	94.6	Very high	93.9	Very high	21 Å²	21	26.4 Å²	26.4	15%	0.147	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	102.3	169	-67.9	0	0	0	0	108.7	I268 D270	S259-I268 WeakPolarHBondContact CB-O 3.26Å; S259-I268 PolarHBondContact O-N 3.42Å; S259-D270 PolarHBondContact OG-OD1 3.42Å
260	W	96.3	Very high	93.3	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.008	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132	-176.7	-174.1	-97.1	0	0	0	112.1	I258 Q265 T266 N414 I473 E474 M476 K478 Q529	I258-W260 HydrophobicContact CD1-CE3 3.55Å; I258-W260 HydrophobicContact CD1-CZ3 4.08Å; I258-W260 PolarHBondContact O-N 3.08Å; I258-W260 VanDerWaalsContact O-N 3.14Å; W260-Q265 WeakPolarHBondContact CH2-O 3.45Å; W260-Q265 HydrophobicContact CZ2-CB 4.12Å; W260-Q265 WeakPolarHBondContact CZ2-O 3.37Å; W260-T266 VanDerWaalsContact CE3-C 3.45Å; W260-N414 HydrophobicContact CZ2-CB 3.86Å; W260-N414 PolarHBondContact NE1-O 3.03Å; W260-I473 WeakPolarHBondContact O-CA 3.46Å; W260-E474 WeakPolarHBondContact CA-O 3.06Å; W260-E474 HydrophobicContact CB-CB 4.44Å; W260-E474 WeakPolarHBondContact CB-O 3.49Å; W260-E474 PolarHBondContact N-O 3.25Å; W260-E474 PolarHBondContact O-N 3.27Å; W260-M476 HydrophobicContact CB-CB 4.1Å; W260-M476 HydrophobicContact CB-CG 3.84Å; W260-M476 HydrophobicContact CB-SD 3.91Å; W260-M476 HydrophobicContact CD2-SD 4.05Å; W260-M476 HydrophobicContact CG-CG 4.14Å; W260-M476 HydrophobicContact CG-SD 3.52Å; W260-M476 VanDerWaalsContact CG-SD 3.52Å; W260-K478 HydrophobicContact CE3-CG 4.38Å; W260-K478 HydrophobicContact CZ3-CG 4.34Å; W260-Q529 HydrophobicContact CH2-CB 4.17Å; W260-Q529 HydrophobicContact CH2-CG 3.92Å; W260-Q529 HydrophobicContact CZ3-CG 4.12Å; W260-Q529 VanDerWaalsContact CZ3-OE1 3.24Å
261	C	95	Very high	92.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	108.5	169.1	179.8	0	0	0	0	109.4	Y263 L264 Q265 T266 I268 C466 S469 I473	C261-Y263 VanDerWaalsContact C-N 3.31Å; C261-Y263 PolarHBondContact O-N 2.75Å; C261-L264 HydrophobicContact CB-CB 4.17Å; C261-L264 PolarHBondContact O-N 3.19Å; C261-L264 PolarHBondContact SG-N 2.9Å; C261-L264 VanDerWaalsContact SG-N 3.42Å; C261-Q265 VanDerWaalsContact O-CA 3.23Å; C261-Q265 WeakPolarHBondContact O-CA 3.49Å; C261-Q265 PolarHBondContact O-N 3.39Å; C261-T266 PolarHBondContact N-O 3.35Å; C261-T266 PolarHBondContact O-N 3Å; C261-I268 HydrophobicContact CB-CD1 3.83Å; C261-I268 HydrophobicContact CB-CG1 3.55Å; C261-C466 HydrophobicContact CB-CB 4.37Å; C261-S469 PolarHBondContact SG-OG 2.85Å; C261-I473 HydrophobicContact CB-CD1 4.44Å
262	C	94.4	Very high	91.8	Very high	4 Å²	4	31 Å²	31	3%	0.027	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-35.6	-179.7	-73.9	0	0	0	0	112.5	Q265 N414 S415 R430 D471	C262-Q265 WeakPolarHBondContact O-CG 3.23Å; C262-N414 WeakPolarHBondContact CA-O 3.4Å; C262-S415 WeakPolarHBondContact CB-O 3.29Å; C262-R430 PolarHBondContact SG-NH1 3.22Å; C262-D471 PolarHBondContact N-OD2 3.18Å
263	Y	91.9	Very high	91.6	Very high	58 Å²	58	29.1 Å²	29.1	23%	0.227	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-46.5	175.7	-175	-100	0	0	0	113.1	L158 C261 P287 D471	L158-Y263 WeakPolarHBondContact CD1-OH 3.14Å; C261-Y263 VanDerWaalsContact C-N 3.31Å; C261-Y263 PolarHBondContact O-N 2.75Å; Y263-P287 HydrophobicContact CD1-CB 4.28Å; Y263-P287 HydrophobicContact CD1-CG 4.43Å; Y263-P287 HydrophobicContact CD2-CB 3.7Å; Y263-P287 HydrophobicContact CD2-CG 4.15Å; Y263-P287 HydrophobicContact CE1-CB 4.38Å; Y263-P287 HydrophobicContact CE2-CB 3.83Å; Y263-P287 HydrophobicContact CG-CB 3.93Å; Y263-P287 HydrophobicContact CG-CG 3.98Å; Y263-D471 PolarHBondContact N-OD2 3.43Å
264	L	91.5	Very high	91.5	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.031	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-15.4	179.1	-62.9	178	0	0	0	113	I147 R187 C261 T266 I268 R468	I147-L264 HydrophobicContact CD1-CD1 3.94Å; I147-L264 HydrophobicContact CG1-CD1 4.22Å; R187-L264 PolarHBondContact NH2-O 2.85Å; C261-L264 HydrophobicContact CB-CB 4.17Å; C261-L264 PolarHBondContact O-N 3.19Å; C261-L264 PolarHBondContact SG-N 2.9Å; C261-L264 VanDerWaalsContact SG-N 3.42Å; L264-T266 HydrophobicContact CB-CG2 3.83Å; L264-I268 HydrophobicContact CD1-CD1 4.46Å; L264-R468 HydrophobicContact CD1-CB 3.85Å
265	Q	93.6	Very high	91.5	Very high	45 Å²	45	36.6 Å²	36.6	21%	0.21	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	52.4	-174.1	-56.3	-172.3	24.8	0	0	112.6	W260 C261 C262 N414 Q529	W260-Q265 WeakPolarHBondContact CH2-O 3.45Å; W260-Q265 HydrophobicContact CZ2-CB 4.12Å; W260-Q265 WeakPolarHBondContact CZ2-O 3.37Å; C261-Q265 VanDerWaalsContact O-CA 3.23Å; C261-Q265 WeakPolarHBondContact O-CA 3.49Å; C261-Q265 PolarHBondContact O-N 3.39Å; C262-Q265 WeakPolarHBondContact O-CG 3.23Å; Q265-N414 HydrophobicContact CG-CB 4.47Å; Q265-Q529 WeakPolarHBondContact O-CB 3.34Å
266	T	94.7	Very high	91.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	155.7	-178.9	-171.2	0	0	0	0	111.7	I147 W260 C261 L264 I268 Q529 L530	I147-T266 HydrophobicContact CD1-CG2 3.63Å; W260-T266 VanDerWaalsContact CE3-C 3.45Å; C261-T266 PolarHBondContact N-O 3.35Å; C261-T266 PolarHBondContact O-N 3Å; L264-T266 HydrophobicContact CB-CG2 3.83Å; T266-I268 HydrophobicContact CG2-CD1 4.15Å; T266-Q529 PolarHBondContact OG1-N 2.99Å; T266-Q529 VanDerWaalsContact OG1-N 3.1Å; T266-L530 HydrophobicContact CG2-CD2 3.91Å
267	A	95.1	Very high	91.8	Very high	2 Å²	2	40 Å²	40	2%	0.017	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	139	166.8	0	0	0	0	0	111.4	I258 R528	I258-A267 HydrophobicContact CD1-CB 3.65Å; A267-R528 WeakPolarHBondContact O-CD 3.08Å
268	I	94.1	Very high	92	Very high	7 Å²	7	39.2 Å²	39.2	4%	0.036	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	138.6	173.2	-56.4	-59	0	0	0	107.3	I147 S259 C261 L264 T266 E272 V273 I473	I147-I268 HydrophobicContact CD1-CD1 3.35Å; S259-I268 WeakPolarHBondContact CB-O 3.26Å; S259-I268 PolarHBondContact O-N 3.42Å; C261-I268 HydrophobicContact CB-CD1 3.83Å; C261-I268 HydrophobicContact CB-CG1 3.55Å; L264-I268 HydrophobicContact CD1-CD1 4.46Å; T266-I268 HydrophobicContact CG2-CD1 4.15Å; I268-E272 HydrophobicContact CG2-CB 3.72Å; I268-V273 HydrophobicContact CG2-CG2 4.16Å; I268-I473 HydrophobicContact CB-CD1 4.05Å; I268-I473 HydrophobicContact CG1-CD1 3.83Å; I268-I473 HydrophobicContact CG2-CD1 4.3Å
269	S	88.1	Confident	91.9	Very high	14 Å²	14	41.1 Å²	41.1	10%	0.098	20%	0.203	C	C	.	.			trans	-63.6	139.1	173.2	173.2	0	0	0	0	109.8	I271 E272 V273	S269-I271 PolarHBondContact O-N 2.89Å; S269-I271 PolarHBondContact OG-N 2.98Å; S269-E272 WeakPolarHBondContact O-CA 3.27Å; S269-E272 WeakPolarHBondContact O-CB 3.46Å; S269-E272 PolarHBondContact O-N 3.09Å; S269-V273 PolarHBondContact O-N 3.48Å
270	D	85.4	Confident	91.9	Very high	73 Å²	73	45.7 Å²	45.7	39%	0.39	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-51.8	-32.8	175.9	-74.9	-3.5	0	0	0	112.4	S259 E272 V273 K522	S259-D270 PolarHBondContact OG-OD1 3.42Å; D270-E272 VanDerWaalsContact C-N 3.3Å; D270-E272 PolarHBondContact O-N 3.31Å; D270-V273 WeakPolarHBondContact O-CB 3.18Å; D270-V273 PolarHBondContact O-N 3.22Å; D270-K522 IonicContact OD2-NZ 3.19Å; D270-K522 PolarHBondContact OD2-NZ 3.35Å
271	I	79.7	Confident	91.8	Very high	68 Å²	68	47.5 Å²	47.5	35%	0.349	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-76.7	-16.9	179.8	-36.1	175.9	0	0	0	112.3	S269 W515 F630	S269-I271 PolarHBondContact O-N 2.89Å; S269-I271 PolarHBondContact OG-N 2.98Å; I271-W515 HydrophobicContact CD1-CH2 4.48Å; I271-W515 HydrophobicContact CD1-CZ2 3.85Å; I271-F630 HydrophobicContact CB-CD1 4.24Å; I271-F630 HydrophobicContact CB-CE1 3.47Å; I271-F630 VanDerWaalsContact CB-CE1 3.47Å; I271-F630 HydrophobicContact CB-CZ 3.83Å; I271-F630 HydrophobicContact CD1-CD1 4.47Å; I271-F630 HydrophobicContact CD1-CE1 4.5Å; I271-F630 HydrophobicContact CG2-CD1 4.15Å; I271-F630 HydrophobicContact CG2-CE1 3.31Å; I271-F630 HydrophobicContact CG2-CE2 3.77Å; I271-F630 HydrophobicContact CG2-CZ 3.1Å
272	E	84	Confident	91.9	Very high	12 Å²	12	49 Å²	49	6%	0.056	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-91.8	1.9	174	-66.8	-172.9	146.6	0	0	112.9	I268 S269 D270 S467 R468 F630	I268-E272 HydrophobicContact CG2-CB 3.72Å; S269-E272 WeakPolarHBondContact O-CA 3.27Å; S269-E272 WeakPolarHBondContact O-CB 3.46Å; S269-E272 PolarHBondContact O-N 3.09Å; D270-E272 VanDerWaalsContact C-N 3.3Å; D270-E272 PolarHBondContact O-N 3.31Å; E272-S467 WeakPolarHBondContact O-CB 3.4Å; E272-S467 PolarHBondContact O-N 2.99Å; E272-S467 PolarHBondContact O-OG 3.41Å; E272-R468 IonicContact OE1-CZ 2.66Å; E272-R468 IonicContact OE1-NE 2.83Å; E272-R468 IonicContact OE1-NH2 3.75Å; E272-R468 PolarHBondContact OE1-NH2 3.49Å; E272-F630 HydrophobicContact CG-CE1 4.42Å
273	V	92	Very high	92	Very high	13 Å²	13	54.8 Å²	54.8	8%	0.079	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	122	173.9	-178.1	0	0	0	0	109.1	I268 S269 D270 F275 P464 I473	I268-V273 HydrophobicContact CG2-CG2 4.16Å; S269-V273 PolarHBondContact O-N 3.48Å; D270-V273 WeakPolarHBondContact O-CB 3.18Å; D270-V273 PolarHBondContact O-N 3.22Å; V273-F275 HydrophobicContact CB-CE2 4.35Å; V273-F275 HydrophobicContact CB-CZ 4.37Å; V273-F275 HydrophobicContact CG1-CE1 4.13Å; V273-F275 HydrophobicContact CG1-CE2 4.13Å; V273-F275 HydrophobicContact CG1-CZ 3.88Å; V273-P464 HydrophobicContact CG1-CB 3.5Å; V273-P464 VanDerWaalsContact CG1-CB 3.5Å; V273-I473 HydrophobicContact CG1-CG1 4.01Å; V273-I473 HydrophobicContact CG2-CD1 4.32Å; V273-I473 HydrophobicContact CG2-CG1 4.01Å
274	E	92.4	Very high	92.1	Very high	122 Å²	122	52.9 Å²	52.9	57%	0.57	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	127.3	172.8	-70	178.6	-179	0	0	109.1	I465	E274-I465 PolarHBondContact N-O 3.26Å; E274-I465 PolarHBondContact O-N 2.91Å
275	F	94	Very high	92.2	Very high	129 Å²	129	59.1 Å²	59.1	57%	0.566	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.7	177.3	-63.5	-84.9	0	0	0	110.3	V273 L462 P464	V273-F275 HydrophobicContact CB-CE2 4.35Å; V273-F275 HydrophobicContact CB-CZ 4.37Å; V273-F275 HydrophobicContact CG1-CE1 4.13Å; V273-F275 HydrophobicContact CG1-CE2 4.13Å; V273-F275 HydrophobicContact CG1-CZ 3.88Å; F275-L462 HydrophobicContact CB-CD2 4.11Å; F275-L462 HydrophobicContact CD1-CB 4.04Å; F275-P464 HydrophobicContact CD1-CB 4.13Å; F275-P464 HydrophobicContact CE1-CB 3.88Å
276	R	93.4	Very high	92.2	Very high	112 Å²	112	57.2 Å²	57.2	42%	0.423	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.7	173.7	-179.8	174.3	176.4	166.1	-2.8	110.1	I278 L463 I465	R276-I278 PolarHBondContact O-N 3.12Å; R276-L463 PolarHBondContact N-O 3.32Å; R276-L463 PolarHBondContact O-N 2.94Å; R276-I465 HydrophobicContact CB-CD1 3.91Å
277	D	93.8	Very high	92	Very high	116 Å²	116	58.6 Å²	58.6	62%	0.62	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	128	169.8	-69	-43.5	0	0	0	110.3	P460 L462	D277-P460 HydrophobicContact CB-CB 4.44Å; D277-L462 WeakPolarHBondContact OD1-CD2 3.39Å
278	I	94.1	Very high	91.5	Very high	7 Å²	7	59.9 Å²	59.9	4%	0.036	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	119.6	176.5	-164.4	170	0	0	0	111	R276 E280 F295 A461 L463	R276-I278 PolarHBondContact O-N 3.12Å; I278-E280 WeakPolarHBondContact CG1-O 3.48Å; I278-F295 VanDerWaalsContact CD1-C 3.46Å; I278-F295 HydrophobicContact CD1-CB 3.49Å; I278-F295 VanDerWaalsContact CD1-CB 3.49Å; I278-A461 HydrophobicContact CG2-CB 4.08Å; I278-A461 WeakPolarHBondContact CG2-O 3.25Å; I278-A461 PolarHBondContact N-O 2.99Å; I278-A461 PolarHBondContact O-N 3.34Å; I278-L463 HydrophobicContact CG2-CB 4.33Å
279	S	91.8	Very high	91.4	Very high	52 Å²	52	61.2 Å²	61.2	36%	0.364	32%	0.315	S	S	.	.			trans	-110.9	-22.5	179.4	53.2	0	0	0	0	113.1	I453 G454	S279-I453 PolarHBondContact O-N 3.42Å; S279-G454 WeakPolarHBondContact O-CA 3.17Å; S279-G454 PolarHBondContact O-N 2.89Å
280	E	94.1	Very high	91.3	Very high	117 Å²	117	69.1 Å²	69.1	55%	0.547	35%	0.35	S	S	.	.	S	Bend	trans	-136.3	163.4	-174.7	62.8	-177.1	177.1	0	0	112	I278 T282 G296 N452	I278-E280 WeakPolarHBondContact CG1-O 3.48Å; E280-T282 PolarHBondContact O-N 3.42Å; E280-T282 PolarHBondContact O-OG1 3.19Å; E280-G296 CarbonylContact C-O 3.53Å; E280-G296 WeakPolarHBondContact O-CA 3.46Å; E280-N452 HydrophobicContact CB-CB 4.31Å
281	S	95.4	Very high	91.6	Very high	41 Å²	41	73.5 Å²	73.5	29%	0.287	37%	0.365	S	S	.	.			trans	-47.8	112.9	175.6	177.9	0	0	0	0	110.6	E294 F295 N452	S281-E294 WeakPolarHBondContact OG-CG 3.35Å; S281-E294 PolarHBondContact OG-OE1 3.05Å; S281-F295 CarbonylContact C-O 3.6Å; S281-F295 VanDerWaalsContact CA-O 3.31Å; S281-F295 WeakPolarHBondContact CA-O 3.38Å; S281-N452 PolarHBondContact N-OD1 2.71Å
282	T	96	Very high	92.4	Very high	31 Å²	31	73 Å²	73	19%	0.19	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	126	-179.2	-52.3	0	0	0	0	108.8	E280 L284 F295	E280-T282 PolarHBondContact O-N 3.42Å; E280-T282 PolarHBondContact O-OG1 3.19Å; T282-L284 HydrophobicContact CG2-CD2 3.73Å; T282-L284 HydrophobicContact CG2-CG 4.27Å; T282-F295 PolarHBondContact N-O 3.1Å; T282-F295 PolarHBondContact O-N 2.95Å
283	F	96.4	Very high	92.9	Very high	125 Å²	125	72.8 Å²	72.8	55%	0.548	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	120.5	176.1	-71.9	-90.7	0	0	0	110.2	P292 V293 E294	F283-P292 HydrophobicContact CB-CB 3.84Å; F283-P292 HydrophobicContact CD1-CB 4.3Å; F283-V293 WeakPolarHBondContact CA-O 3.4Å; F283-E294 HydrophobicContact CD1-CB 4.09Å; F283-E294 HydrophobicContact CE1-CB 3.7Å; F283-E294 HydrophobicContact CE1-CG 4.1Å; F283-E294 HydrophobicContact CE2-CG 4.27Å; F283-E294 HydrophobicContact CZ-CB 4.05Å; F283-E294 HydrophobicContact CZ-CG 3.91Å
284	L	95.3	Very high	93.2	Very high	18 Å²	18	74.1 Å²	74.1	9%	0.094	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	139.1	-178.8	-58	-178.5	0	0	0	110.9	T282 V286 P292 V293 F295 L463	T282-L284 HydrophobicContact CG2-CD2 3.73Å; T282-L284 HydrophobicContact CG2-CG 4.27Å; L284-V286 PolarHBondContact O-N 3.22Å; L284-P292 CarbonylContact O-C 3.59Å; L284-P292 WeakPolarHBondContact O-CA 3.21Å; L284-V293 PolarHBondContact N-O 2.98Å; L284-V293 PolarHBondContact O-N 3.39Å; L284-F295 HydrophobicContact CB-CD2 4.05Å; L284-F295 HydrophobicContact CB-CE2 4.09Å; L284-F295 HydrophobicContact CD1-CD2 3.81Å; L284-F295 HydrophobicContact CD1-CE2 4.29Å; L284-F295 HydrophobicContact CG-CD2 3.99Å; L284-F295 HydrophobicContact CG-CE2 4.49Å; L284-L463 HydrophobicContact CD1-CD2 3.47Å; L284-L463 VanDerWaalsContact CD1-CD2 3.47Å
285	N	93.4	Very high	93.3	Very high	137 Å²	137	68.8 Å²	68.8	73%	0.733	35%	0.347	S	S	*	.			trans	-73.9	110.7	170.5	-68.5	-31.1	0	0	0	108.9	P292	N285-P292 WeakPolarHBondContact OD1-CG 3.49Å
286	V	93.6	Very high	93.4	Very high	5 Å²	5	63 Å²	63	3%	0.03	32%	0.323	C	S	.	.			trans	-101.9	129.5	176.3	-179.1	0	0	0	0	108.4	L284 G288 Y289 V293 F295 F431 D471 I472	L284-V286 PolarHBondContact O-N 3.22Å; V286-G288 PolarHBondContact O-N 3.34Å; V286-Y289 HydrophobicContact CB-CD2 3.78Å; V286-Y289 HydrophobicContact CB-CE2 4.4Å; V286-Y289 HydrophobicContact CB-CG 4.45Å; V286-Y289 HydrophobicContact CG1-CD2 3.56Å; V286-Y289 HydrophobicContact CG1-CE2 3.75Å; V286-Y289 PolarHBondContact O-N 2.66Å; V286-V293 HydrophobicContact CB-CG2 4.12Å; V286-V293 HydrophobicContact CG2-CB 3.89Å; V286-V293 HydrophobicContact CG2-CG2 3.91Å; V286-F295 HydrophobicContact CG2-CE2 3.81Å; V286-F295 HydrophobicContact CG2-CZ 3.98Å; V286-F431 HydrophobicContact CG1-CD2 4.4Å; V286-F431 HydrophobicContact CG1-CE2 3.97Å; V286-F431 HydrophobicContact CG2-CE2 4.39Å; V286-D471 VanDerWaalsContact CG1-OD1 3.29Å; V286-D471 WeakPolarHBondContact CG1-OD1 3.33Å; V286-I472 HydrophobicContact CG2-CG1 4.3Å
287	P	89	Confident	93.4	Very high	29 Å²	29	58 Å²	58	19%	0.188	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	136.2	178.6	28.6	-37.9	0	0	0	111.2	Y263 D471	Y263-P287 HydrophobicContact CD1-CB 4.28Å; Y263-P287 HydrophobicContact CD1-CG 4.43Å; Y263-P287 HydrophobicContact CD2-CB 3.7Å; Y263-P287 HydrophobicContact CD2-CG 4.15Å; Y263-P287 HydrophobicContact CE1-CB 4.38Å; Y263-P287 HydrophobicContact CE2-CB 3.83Å; Y263-P287 HydrophobicContact CG-CB 3.93Å; Y263-P287 HydrophobicContact CG-CG 3.98Å; P287-D471 HydrophobicContact CG-CB 3.64Å
288	G	86.3	Confident	93.4	Very high	29 Å²	29	54.2 Å²	54.2	30%	0.299	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.7	-4.2	-175	0	0	0	0	0	115.1	V286	V286-G288 PolarHBondContact O-N 3.34Å
289	Y	90.1	Very high	93.5	Very high	36 Å²	36	53.9 Å²	53.9	14%	0.141	28%	0.282	C	S	.	.			trans	-114.1	133.4	177.4	-64	-97.6	0	0	0	111	V286 V293 P429 R430 F431 I432	V286-Y289 HydrophobicContact CB-CD2 3.78Å; V286-Y289 HydrophobicContact CB-CE2 4.4Å; V286-Y289 HydrophobicContact CB-CG 4.45Å; V286-Y289 HydrophobicContact CG1-CD2 3.56Å; V286-Y289 HydrophobicContact CG1-CE2 3.75Å; V286-Y289 PolarHBondContact O-N 2.66Å; Y289-V293 HydrophobicContact CD1-CG2 4.04Å; Y289-V293 HydrophobicContact CD2-CG2 4.47Å; Y289-V293 HydrophobicContact CG-CG2 3.95Å; Y289-P429 HydrophobicContact CE1-CB 3.76Å; Y289-P429 WeakPolarHBondContact OH-CB 3.35Å; Y289-R430 WeakPolarHBondContact OH-CG 3.01Å; Y289-F431 HydrophobicContact CD1-CB 4.41Å; Y289-F431 HydrophobicContact CD2-CD2 4.35Å; Y289-F431 HydrophobicContact CE1-CB 3.71Å; Y289-F431 AromaticContact CE1-CD2 3.86Å; Y289-F431 HydrophobicContact CE1-CD2 3.86Å; Y289-F431 HydrophobicContact CE1-CG 4.26Å; Y289-F431 AromaticContact CE2-CD2 3.65Å; Y289-F431 HydrophobicContact CE2-CD2 3.65Å; Y289-F431 HydrophobicContact CE2-CE2 4.17Å; Y289-F431 AromaticContact CZ-CD2 3.37Å; Y289-F431 WeakPolarHBondContact OH-CD2 3.25Å; Y289-I432 HydrophobicContact CD1-CD1 4.39Å; Y289-I432 HydrophobicContact CD1-CG1 4.4Å; Y289-I432 HydrophobicContact CE1-CG1 4.18Å
290	E	87.2	Confident	93.7	Very high	179 Å²	179	52 Å²	52	84%	0.836	27%	0.267	S	S	*	.	S	Bend	trans	-70.9	-35.1	179.3	-64.1	-173.9	160.5	0	0	113
291	K	92.2	Very high	93.8	Very high	165 Å²	165	46.4 Å²	46.4	72%	0.717	24%	0.241	S	C	*	.	S	Bend	trans	-107.3	146.4	-179.4	-63.9	-179	-175.7	175.9	0	109.9	V293	K291-V293 PolarHBondContact O-N 2.93Å
292	P	95.3	Very high	93.8	Very high	59 Å²	59	44.4 Å²	44.4	38%	0.383	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-52.7	137.4	168.8	-23.2	31.7	0	0	0	111.2	F283 L284 N285	F283-P292 HydrophobicContact CB-CB 3.84Å; F283-P292 HydrophobicContact CD1-CB 4.3Å; L284-P292 CarbonylContact O-C 3.59Å; L284-P292 WeakPolarHBondContact O-CA 3.21Å; N285-P292 WeakPolarHBondContact OD1-CG 3.49Å
293	V	96	Very high	93.7	Very high	6 Å²	6	43 Å²	43	4%	0.036	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	135.8	179.6	178.8	0	0	0	0	109.3	F283 L284 V286 Y289 K291 F295 F431	F283-V293 WeakPolarHBondContact CA-O 3.4Å; L284-V293 PolarHBondContact N-O 2.98Å; L284-V293 PolarHBondContact O-N 3.39Å; V286-V293 HydrophobicContact CB-CG2 4.12Å; V286-V293 HydrophobicContact CG2-CB 3.89Å; V286-V293 HydrophobicContact CG2-CG2 3.91Å; Y289-V293 HydrophobicContact CD1-CG2 4.04Å; Y289-V293 HydrophobicContact CD2-CG2 4.47Å; Y289-V293 HydrophobicContact CG-CG2 3.95Å; K291-V293 PolarHBondContact O-N 2.93Å; V293-F295 HydrophobicContact CB-CE2 3.69Å; V293-F295 HydrophobicContact CB-CZ 4.06Å; V293-F295 HydrophobicContact CG1-CD2 4.32Å; V293-F295 HydrophobicContact CG1-CE1 4.31Å; V293-F295 HydrophobicContact CG1-CE2 3.57Å; V293-F295 HydrophobicContact CG1-CZ 3.54Å; V293-F295 WeakPolarHBondContact O-CD2 3.45Å; V293-F431 HydrophobicContact CB-CD2 4.48Å; V293-F431 HydrophobicContact CG1-CB 3.69Å; V293-F431 HydrophobicContact CG1-CD1 4Å; V293-F431 HydrophobicContact CG1-CD2 3.92Å; V293-F431 HydrophobicContact CG1-CG 3.6Å; V293-F431 HydrophobicContact CG2-CB 4.12Å; V293-F431 HydrophobicContact CG2-CD2 4.02Å; V293-F431 HydrophobicContact CG2-CG 4.3Å
294	E	96.4	Very high	93.5	Very high	42 Å²	42	42 Å²	42	20%	0.196	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	129.1	178.7	-168.6	-178.4	-159.5	0	0	111.6	S281 F283 V297 R434 R450	S281-E294 WeakPolarHBondContact OG-CG 3.35Å; S281-E294 PolarHBondContact OG-OE1 3.05Å; F283-E294 HydrophobicContact CD1-CB 4.09Å; F283-E294 HydrophobicContact CE1-CB 3.7Å; F283-E294 HydrophobicContact CE1-CG 4.1Å; F283-E294 HydrophobicContact CE2-CG 4.27Å; F283-E294 HydrophobicContact CZ-CB 4.05Å; F283-E294 HydrophobicContact CZ-CG 3.91Å; E294-V297 HydrophobicContact CG-CG1 4.32Å; E294-V297 HydrophobicContact CG-CG2 4.38Å; E294-R434 PolarHBondContact O-NH1 3.42Å; E294-R450 IonicContact OE2-CZ 3.82Å; E294-R450 IonicContact OE2-NH1 3.66Å; E294-R450 PolarHBondContact OE2-NH1 3.13Å
295	F	96.2	Very high	93.3	Very high	10 Å²	10	41.6 Å²	41.6	4%	0.044	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	172.2	171.1	-60.5	-85.7	0	0	0	109.9	I278 S281 T282 L284 V286 V293 V297 F431 L463 I472	I278-F295 VanDerWaalsContact CD1-C 3.46Å; I278-F295 HydrophobicContact CD1-CB 3.49Å; I278-F295 VanDerWaalsContact CD1-CB 3.49Å; S281-F295 CarbonylContact C-O 3.6Å; S281-F295 VanDerWaalsContact CA-O 3.31Å; S281-F295 WeakPolarHBondContact CA-O 3.38Å; T282-F295 PolarHBondContact N-O 3.1Å; T282-F295 PolarHBondContact O-N 2.95Å; L284-F295 HydrophobicContact CB-CD2 4.05Å; L284-F295 HydrophobicContact CB-CE2 4.09Å; L284-F295 HydrophobicContact CD1-CD2 3.81Å; L284-F295 HydrophobicContact CD1-CE2 4.29Å; L284-F295 HydrophobicContact CG-CD2 3.99Å; L284-F295 HydrophobicContact CG-CE2 4.49Å; V286-F295 HydrophobicContact CG2-CE2 3.81Å; V286-F295 HydrophobicContact CG2-CZ 3.98Å; V293-F295 HydrophobicContact CB-CE2 3.69Å; V293-F295 HydrophobicContact CB-CZ 4.06Å; V293-F295 HydrophobicContact CG1-CD2 4.32Å; V293-F295 HydrophobicContact CG1-CE1 4.31Å; V293-F295 HydrophobicContact CG1-CE2 3.57Å; V293-F295 HydrophobicContact CG1-CZ 3.54Å; V293-F295 WeakPolarHBondContact O-CD2 3.45Å; F295-V297 VanDerWaalsContact C-N 3.34Å; F295-F431 HydrophobicContact CE1-CD1 4.4Å; F295-F431 AromaticContact CE1-CE1 3.72Å; F295-F431 HydrophobicContact CE1-CE1 3.72Å; F295-F431 AromaticContact CE1-CZ 3.86Å; F295-F431 HydrophobicContact CE1-CZ 3.86Å; F295-F431 HydrophobicContact CZ-CD1 4.43Å; F295-F431 AromaticContact CZ-CE1 3.93Å; F295-F431 HydrophobicContact CZ-CE1 3.93Å; F295-F431 HydrophobicContact CZ-CE2 4.08Å; F295-F431 AromaticContact CZ-CZ 3.74Å; F295-F431 HydrophobicContact CZ-CZ 3.74Å; F295-L463 HydrophobicContact CB-CD2 4.27Å; F295-L463 HydrophobicContact CD1-CD1 3.84Å; F295-L463 HydrophobicContact CD1-CD2 4.19Å; F295-L463 HydrophobicContact CD2-CD2 4.3Å; F295-L463 HydrophobicContact CE1-CD1 4.19Å; F295-L463 HydrophobicContact CG-CD1 4.43Å; F295-L463 HydrophobicContact CG-CD2 3.99Å; F295-I472 HydrophobicContact CE1-CD1 4.5Å; F295-I472 HydrophobicContact CE1-CG1 3.87Å; F295-I472 HydrophobicContact CE2-CD1 4.41Å; F295-I472 HydrophobicContact CE2-CG1 4.22Å; F295-I472 HydrophobicContact CZ-CD1 4.11Å; F295-I472 HydrophobicContact CZ-CG1 3.49Å; F295-I472 VanDerWaalsContact CZ-CG1 3.49Å
296	G	94.6	Very high	92.9	Very high	6 Å²	6	38.6 Å²	38.6	6%	0.062	19%	0.193	C	C	.	.	S	Bend	trans	83.5	10.7	176.9	0	0	0	0	0	114.7	E280 I453	E280-G296 CarbonylContact C-O 3.53Å; E280-G296 WeakPolarHBondContact O-CA 3.46Å; G296-I453 WeakPolarHBondContact O-CG1 3.48Å; G296-I453 PolarHBondContact O-N 3.4Å
297	V	94.5	Very high	92.4	Very high	8 Å²	8	41.5 Å²	41.5	5%	0.048	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	148.2	176.6	-62.6	0	0	0	0	111.3	E294 F295 R450 Q451	E294-V297 HydrophobicContact CG-CG1 4.32Å; E294-V297 HydrophobicContact CG-CG2 4.38Å; F295-V297 VanDerWaalsContact C-N 3.34Å; V297-R450 HydrophobicContact CB-CG 4.02Å; V297-R450 HydrophobicContact CG1-CG 4.38Å; V297-Q451 CarbonylContact C-O 3.34Å; V297-Q451 WeakPolarHBondContact CA-O 3.27Å
298	M	93.4	Very high	91.7	Very high	36 Å²	36	42 Å²	42	18%	0.177	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.7	175.4	-172.1	74.8	72.3	0	0	108.6	Y300 A329 T330 T331 R450 Q451 I453	M298-Y300 HydrophobicContact CB-CE2 4.18Å; M298-Y300 HydrophobicContact CG-CD2 4.33Å; M298-Y300 HydrophobicContact CG-CE2 3.72Å; M298-A329 HydrophobicContact CG-CB 3.79Å; M298-A329 HydrophobicContact SD-CB 3.92Å; M298-T330 VanDerWaalsContact SD-CA 3.53Å; M298-T330 PolarHBondContact SD-N 3.14Å; M298-T330 VanDerWaalsContact SD-N 3.35Å; M298-T331 HydrophobicContact CE-CG2 3.61Å; M298-T331 HydrophobicContact SD-CG2 3.7Å; M298-R450 WeakPolarHBondContact O-CA 3.42Å; M298-Q451 HydrophobicContact CB-CG 4.38Å; M298-Q451 PolarHBondContact N-O 3.15Å; M298-Q451 PolarHBondContact O-N 2.79Å; M298-Q451 VanDerWaalsContact O-N 3.15Å; M298-I453 HydrophobicContact CB-CG1 4.49Å
299	D	95.5	Very high	91	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	131.1	176.8	-69.1	-42.7	0	0	0	109.9	A329 T330 Y447 R450	D299-A329 CarbonylContact O-C 3.59Å; D299-A329 WeakPolarHBondContact O-CA 3.39Å; D299-T330 PolarHBondContact N-O 2.88Å; D299-T330 PolarHBondContact O-N 3.09Å; D299-Y447 HydrophobicContact CB-CE2 4.08Å; D299-Y447 PolarHBondContact OD1-OH 3.03Å; D299-R450 IonicContact OD1-CZ 3.62Å; D299-R450 VanDerWaalsContact OD1-CZ 3.24Å; D299-R450 IonicContact OD1-NE 3.65Å; D299-R450 PolarHBondContact OD1-NE 3.02Å; D299-R450 IonicContact OD1-NH2 2.8Å; D299-R450 PolarHBondContact OD1-NH2 3.2Å; D299-R450 IonicContact OD2-NH2 3.85Å; D299-R450 PolarHBondContact OD2-NH2 3.14Å
300	Y	96.5	Very high	89.8	Confident	11 Å²	11	49.1 Å²	49.1	4%	0.043	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123	175.5	-70.1	-108.1	0	0	0	109.5	M298 V327 I328 A329 T384 K448 R449 Q451	M298-Y300 HydrophobicContact CB-CE2 4.18Å; M298-Y300 HydrophobicContact CG-CD2 4.33Å; M298-Y300 HydrophobicContact CG-CE2 3.72Å; Y300-V327 HydrophobicContact CD1-CG1 4.25Å; Y300-I328 VanDerWaalsContact CA-O 3.26Å; Y300-I328 WeakPolarHBondContact CA-O 3.4Å; Y300-A329 HydrophobicContact CD1-CB 3.9Å; Y300-A329 HydrophobicContact CD2-CB 4.47Å; Y300-A329 HydrophobicContact CE1-CB 3.6Å; Y300-A329 HydrophobicContact CE2-CB 4.18Å; Y300-A329 HydrophobicContact CG-CB 4.33Å; Y300-T384 HydrophobicContact CD1-CG2 3.83Å; Y300-T384 HydrophobicContact CE1-CG2 3.78Å; Y300-K448 WeakPolarHBondContact O-CA 3.31Å; Y300-K448 WeakPolarHBondContact O-CB 3.46Å; Y300-K448 PolarHBondContact O-N 2.72Å; Y300-R449 HydrophobicContact CD2-CG 3.77Å; Y300-R449 HydrophobicContact CG-CG 3.73Å; Y300-R449 PolarHBondContact N-O 3.14Å; Y300-R449 PolarHBondContact O-N 3.14Å; Y300-Q451 HydrophobicContact CE2-CG 3.76Å; Y300-Q451 PolarHBondContact OH-NE2 3.42Å
301	F	96	Very high	88.3	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	159.9	179.9	73.2	-76.9	0	0	0	110.6	F303 V327 I328 T330 L333 M336 K388 L441 L446 Y447	F301-F303 HydrophobicContact CD2-CE2 4.29Å; F301-F303 AromaticContact CE2-CD2 3.8Å; F301-F303 HydrophobicContact CE2-CD2 3.8Å; F301-F303 AromaticContact CE2-CE2 3.21Å; F301-F303 HydrophobicContact CE2-CE2 3.21Å; F301-F303 AromaticContact CE2-CZ 3.67Å; F301-F303 HydrophobicContact CE2-CZ 3.67Å; F301-F303 HydrophobicContact CZ-CD2 4.37Å; F301-F303 AromaticContact CZ-CE2 3.52Å; F301-F303 HydrophobicContact CZ-CE2 3.52Å; F301-F303 HydrophobicContact CZ-CZ 4.08Å; F301-V327 CarbonylContact O-C 3.54Å; F301-V327 WeakPolarHBondContact O-CA 3.47Å; F301-I328 HydrophobicContact CE1-CB 4.31Å; F301-I328 HydrophobicContact CE1-CG2 4.47Å; F301-I328 PolarHBondContact N-O 3.48Å; F301-I328 PolarHBondContact O-N 3.29Å; F301-T330 HydrophobicContact CD1-CG2 4.28Å; F301-T330 HydrophobicContact CE1-CG2 3.69Å; F301-L333 HydrophobicContact CD1-CD1 3.61Å; F301-L333 HydrophobicContact CE1-CD1 3.63Å; F301-L333 HydrophobicContact CG-CD1 4.13Å; F301-L333 HydrophobicContact CZ-CD1 4.14Å; F301-M336 HydrophobicContact CD2-CE 4.29Å; F301-M336 HydrophobicContact CE2-CE 3.57Å; F301-M336 HydrophobicContact CE2-SD 4.08Å; F301-M336 HydrophobicContact CZ-CB 4.26Å; F301-M336 HydrophobicContact CZ-CE 4.23Å; F301-M336 HydrophobicContact CZ-SD 4.41Å; F301-K388 HydrophobicContact CZ-CD 4.2Å; F301-L441 HydrophobicContact CB-CD1 3.96Å; F301-L441 HydrophobicContact CD2-CD1 3.98Å; F301-L441 HydrophobicContact CD2-CD2 4.43Å; F301-L441 HydrophobicContact CG-CD1 4.01Å; F301-L446 CarbonylContact C-O 3.57Å; F301-L446 VanDerWaalsContact CA-O 3.3Å; F301-L446 WeakPolarHBondContact CA-O 3.33Å; F301-Y447 HydrophobicContact CB-CD2 4.47Å
302	A	95	Very high	86.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	143.5	-176.7	0	0	0	0	0	112.9	E325 L326 V327 L446 K448	A302-E325 HydrophobicContact CB-CB 4.07Å; A302-E325 HydrophobicContact CB-CG 4.41Å; A302-L326 VanDerWaalsContact CA-O 3.31Å; A302-L326 WeakPolarHBondContact CA-O 3.38Å; A302-V327 HydrophobicContact CB-CG2 4.2Å; A302-L446 HydrophobicContact CB-CD2 4.41Å; A302-L446 PolarHBondContact N-O 3.26Å; A302-K448 VanDerWaalsContact CB-CE 3.5Å
303	F	94.6	Very high	84.3	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	148	159.3	-74.1	-91.1	0	0	0	109.6	F301 E325 L326 I328 M336 L342 V359 E360 H361 P362 L369	F301-F303 HydrophobicContact CD2-CE2 4.29Å; F301-F303 AromaticContact CE2-CD2 3.8Å; F301-F303 HydrophobicContact CE2-CD2 3.8Å; F301-F303 AromaticContact CE2-CE2 3.21Å; F301-F303 HydrophobicContact CE2-CE2 3.21Å; F301-F303 AromaticContact CE2-CZ 3.67Å; F301-F303 HydrophobicContact CE2-CZ 3.67Å; F301-F303 HydrophobicContact CZ-CD2 4.37Å; F301-F303 AromaticContact CZ-CE2 3.52Å; F301-F303 HydrophobicContact CZ-CE2 3.52Å; F301-F303 HydrophobicContact CZ-CZ 4.08Å; F303-E325 CarbonylContact O-C 3.59Å; F303-E325 WeakPolarHBondContact O-CA 3.45Å; F303-L326 PolarHBondContact N-O 3.09Å; F303-L326 PolarHBondContact O-N 3.44Å; F303-I328 HydrophobicContact CD2-CD1 3.6Å; F303-I328 HydrophobicContact CD2-CG1 4.26Å; F303-I328 HydrophobicContact CE2-CD1 3.66Å; F303-M336 HydrophobicContact CE1-CE 4.19Å; F303-M336 HydrophobicContact CZ-CE 3.9Å; F303-L342 HydrophobicContact CB-CD1 4.25Å; F303-L342 HydrophobicContact CD2-CD1 4.03Å; F303-L342 HydrophobicContact CD2-CD2 4.19Å; F303-L342 HydrophobicContact CE2-CD2 3.99Å; F303-L342 HydrophobicContact CG-CD1 4.2Å; F303-L342 HydrophobicContact CZ-CD2 4.46Å; F303-V359 HydrophobicContact CB-CB 3.79Å; F303-V359 HydrophobicContact CB-CG1 4.07Å; F303-V359 HydrophobicContact CB-CG2 3.84Å; F303-V359 HydrophobicContact CD1-CG2 3.9Å; F303-V359 HydrophobicContact CG-CB 4.48Å; F303-V359 HydrophobicContact CG-CG2 4.01Å; F303-E360 WeakPolarHBondContact CD1-O 3.42Å; F303-H361 AromaticContact CE1-CD2 3.84Å; F303-P362 HydrophobicContact CD1-CG 4.34Å; F303-P362 HydrophobicContact CE1-CG 4.43Å; F303-L369 HydrophobicContact CE1-CD1 3.91Å; F303-L369 HydrophobicContact CZ-CD1 4.29Å
304	R	92	Very high	82.1	Confident	104 Å²	104	47.3 Å²	47.3	39%	0.392	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	130.7	175.9	-69.2	-179.3	-178.2	153.9	3.9	110.6	D324 E325 V359 E360 L446	R304-D324 CarbonylContact C-O 3.54Å; R304-D324 WeakPolarHBondContact CA-O 3.35Å; R304-E325 HydrophobicContact CG-CG 4.44Å; R304-V359 CarbonylContact O-C 3.59Å; R304-V359 WeakPolarHBondContact O-CA 3.48Å; R304-V359 VanDerWaalsContact O-CB 3.31Å; R304-V359 WeakPolarHBondContact O-CB 3.33Å; R304-E360 PolarHBondContact O-N 3.15Å; R304-L446 HydrophobicContact CG-CD2 4.07Å
305	V	91.1	Very high	79.7	Confident	10 Å²	10	52 Å²	52	6%	0.061	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	125.7	175.5	-172.8	0	0	0	0	108.8	P308 D324 L326 L354 C357 V359	V305-P308 HydrophobicContact CG1-CB 4.27Å; V305-D324 PolarHBondContact N-O 3.36Å; V305-L326 HydrophobicContact CG2-CB 4.35Å; V305-L354 HydrophobicContact CG1-CD2 4.38Å; V305-C357 HydrophobicContact CG1-CB 4.32Å; V305-V359 HydrophobicContact CG2-CG1 4.19Å
306	I	85.7	Confident	77.2	Confident	75 Å²	75	62.6 Å²	62.6	39%	0.385	31%	0.313	S	S	.	.	S	Bend	trans	-85.1	-34.3	-174.1	-58.4	176	0	0	0	111.1	P308 Y358 E360 H368	I306-P308 VanDerWaalsContact C-CD 3.44Å; I306-Y358 PolarHBondContact N-O 3.31Å; I306-E360 HydrophobicContact CD1-CB 3.82Å; I306-E360 HydrophobicContact CG1-CB 3.86Å; I306-H368 HydrophobicContact CD1-CB 4.13Å; I306-H368 WeakPolarHBondContact CD1-CD2 3.3Å; I306-H368 VanDerWaalsContact CD1-CG 3.43Å; I306-H368 WeakPolarHBondContact CD1-NE2 3.3Å
307	D	82.1	Confident	74.6	Confident	66 Å²	66	69 Å²	69	35%	0.353	35%	0.346	S	S	.	.	S	Bend	trans	-129.5	58.2	-171.9	61.5	-22.7	0	0	0	111.9	C357 Y358	D307-C357 PolarHBondContact O-SG 3.31Å; D307-C357 WeakPolarHBondContact OD1-CA 3.5Å; D307-C357 VanDerWaalsContact OD1-CB 3.26Å; D307-C357 WeakPolarHBondContact OD1-CB 3.35Å; D307-C357 WeakPolarHBondContact OD2-CA 3.45Å; D307-Y358 PolarHBondContact OD1-N 2.95Å
308	P	74.5	Confident	72.2	Confident	39 Å²	39	76.4 Å²	76.4	25%	0.253	38%	0.38	S	S	.	.			trans	-59.6	141.1	178.4	26.1	-33.6	0	0	0	110.7	V305 I306 K310	V305-P308 HydrophobicContact CG1-CB 4.27Å; I306-P308 VanDerWaalsContact C-CD 3.44Å; P308-K310 PolarHBondContact O-N 3.32Å
309	P	72.2	Confident	69.5	Low	29 Å²	29	81 Å²	81	19%	0.188	41%	0.413	C	S	.	.			trans	-55.5	132.3	180	-23.7	30.8	0	0	0	112.1	S311 L312 H353	P309-S311 PolarHBondContact O-N 3.12Å; P309-L312 PolarHBondContact O-N 3.02Å; P309-H353 HydrophobicContact CG-CB 4.4Å; P309-H353 WeakPolarHBondContact CG-O 3.46Å
310	K	64.2	Low	67.2	Low	186 Å²	186	85 Å²	85	81%	0.809	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-56.9	-24.4	-179.2	-68	-176.6	-178.6	177.7	0	113.7	P308 L312 L313	P308-K310 PolarHBondContact O-N 3.32Å; K310-L312 PolarHBondContact O-N 3.33Å; K310-L313 PolarHBondContact O-N 3.15Å
311	S	56.8	Low	64.7	Low	89 Å²	89	87.9 Å²	87.9	62%	0.622	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-60.3	-23.8	177.3	51.2	0	0	0	0	113.6	P309 S314	P309-S311 PolarHBondContact O-N 3.12Å; S311-S314 PolarHBondContact O-OG 3.03Å
312	L	52	Low	62.7	Low	46 Å²	46	95.7 Å²	95.7	24%	0.241	51%	0.505	C	S	.	.	G	3₁₀ helix	trans	-96.1	-7.8	-176.6	-71.2	164.8	0	0	0	114.5	P309 K310 S314 E315 H353	P309-L312 PolarHBondContact O-N 3.02Å; K310-L312 PolarHBondContact O-N 3.33Å; L312-S314 PolarHBondContact O-N 3.14Å; L312-E315 PolarHBondContact O-N 3.3Å; L312-H353 WeakPolarHBondContact CD1-CD2 3.47Å; L312-H353 WeakPolarHBondContact CD1-NE2 3.12Å
313	L	51.5	Low	60.9	Low	135 Å²	135	99.5 Å²	99.5	71%	0.707	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-9.4	176.3	-69.7	169.9	0	0	0	113	K310	K310-L313 PolarHBondContact O-N 3.15Å
314	S	49.4	Very low	60	Low	100 Å²	100	103.3 Å²	103.3	70%	0.699	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-10	-177	61.8	0	0	0	0	115.8	S311 L312	S311-S314 PolarHBondContact O-OG 3.03Å; L312-S314 PolarHBondContact O-N 3.14Å
315	E	46.8	Very low	59.8	Low	141 Å²	141	99.9 Å²	99.9	66%	0.659	53%	0.534	S	S	*	.			trans	-123.3	82.8	-177	-70	-171.3	175.7	0	0	112.8	L312 N317	L312-E315 PolarHBondContact O-N 3.3Å; E315-N317 VanDerWaalsContact C-N 3.3Å; E315-N317 PolarHBondContact O-N 3.05Å
316	R	43	Very low	59.9	Low	232 Å²	232	99.6 Å²	99.6	88%	0.875	53%	0.532	S	S	*	.			trans	-76.8	70.2	168	-70.4	-176	-179.4	-177.3	0.7	111.2
317	N	39.2	Very low	60.3	Low	141 Å²	141	97.9 Å²	97.9	75%	0.754	53%	0.525	S	S	*	.			trans	-135.9	29.6	-177.5	-85.3	-25	0	0	0	116.9	E315	E315-N317 VanDerWaalsContact C-N 3.3Å; E315-N317 PolarHBondContact O-N 3.05Å
318	H	44.2	Very low	60.9	Low	164 Å²	164	94.8 Å²	94.8	76%	0.759	51%	0.508	S	S	*	.			trans	-125.1	121.7	160.7	-79.2	-59	0	0	0	112.3	G320	H318-G320 PolarHBondContact O-N 3.12Å
319	P	37.8	Very low	61.8	Low	133 Å²	133	93.9 Å²	93.9	86%	0.864	50%	0.504	S	S	*	.	S	Bend	trans	-79.9	115.5	178.7	29.8	-27.8	0	0	0	110.1
320	G	46.9	Very low	62.8	Low	85 Å²	85	93.2 Å²	93.2	88%	0.876	50%	0.5	S	S	*	.	S	Bend	trans	124.9	-23.3	165.6	0	0	0	0	0	116.3	H318	H318-G320 PolarHBondContact O-N 3.12Å
321	S	44.8	Very low	64.2	Low	71 Å²	71	87 Å²	87	50%	0.497	48%	0.477	S	S	.	.			trans	-100.4	112.8	168.7	51.8	0	0	0	0	108.7	L323	S321-L323 PolarHBondContact O-N 3.06Å
322	R	52.7	Low	66	Low	163 Å²	163	85.3 Å²	85.3	62%	0.615	46%	0.458	S	S	*	.			trans	-56.3	124.7	156.2	-94.5	179.4	164.3	167	-5.5	105.9	D324 E325	R322-D324 PolarHBondContact O-N 2.86Å; R322-E325 HydrophobicContact CB-CB 4.28Å; R322-E325 HydrophobicContact CB-CG 4.03Å; R322-E325 WeakPolarHBondContact CD-OE1 3.43Å; R322-E325 IonicContact NH1-OE1 3.07Å; R322-E325 PolarHBondContact O-N 2.84Å
323	L	57.8	Low	68.1	Low	81 Å²	81	83.1 Å²	83.1	42%	0.424	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-19	177.6	-73.7	162	0	0	0	111.8	S321 E325	S321-L323 PolarHBondContact O-N 3.06Å; L323-E325 VanDerWaalsContact C-N 3.34Å
324	D	75.5	Confident	70.3	Confident	79 Å²	79	76.7 Å²	76.7	42%	0.422	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	6.2	179.6	-37.3	-35.1	0	0	0	113.3	R304 V305 R322	R304-D324 CarbonylContact C-O 3.54Å; R304-D324 WeakPolarHBondContact CA-O 3.35Å; V305-D324 PolarHBondContact N-O 3.36Å; R322-D324 PolarHBondContact O-N 2.86Å
325	E	88.2	Confident	72.5	Confident	32 Å²	32	72.2 Å²	72.2	15%	0.15	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	124.7	-174.7	-71.2	-179.5	-168.7	0	0	113.1	A302 F303 R304 R322 L323 K448	A302-E325 HydrophobicContact CB-CB 4.07Å; A302-E325 HydrophobicContact CB-CG 4.41Å; F303-E325 CarbonylContact O-C 3.59Å; F303-E325 WeakPolarHBondContact O-CA 3.45Å; R304-E325 HydrophobicContact CG-CG 4.44Å; R322-E325 HydrophobicContact CB-CB 4.28Å; R322-E325 HydrophobicContact CB-CG 4.03Å; R322-E325 WeakPolarHBondContact CD-OE1 3.43Å; R322-E325 IonicContact NH1-OE1 3.07Å; R322-E325 PolarHBondContact O-N 2.84Å; L323-E325 VanDerWaalsContact C-N 3.34Å; E325-K448 IonicContact OE1-NZ 2.78Å; E325-K448 VanDerWaalsContact OE2-CE 3.28Å; E325-K448 WeakPolarHBondContact OE2-CE 3.38Å; E325-K448 IonicContact OE2-NZ 3.99Å; E325-K448 PolarHBondContact OE2-NZ 2.76Å
326	L	92.1	Very high	74.8	Confident	4 Å²	4	65.5 Å²	65.5	2%	0.021	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	110.1	175.3	-171.1	59.2	0	0	0	110.4	A302 F303 V305 L342 Y351 L354 I371 V386	A302-L326 VanDerWaalsContact CA-O 3.31Å; A302-L326 WeakPolarHBondContact CA-O 3.38Å; F303-L326 PolarHBondContact N-O 3.09Å; F303-L326 PolarHBondContact O-N 3.44Å; V305-L326 HydrophobicContact CG2-CB 4.35Å; L326-L342 HydrophobicContact CD2-CD1 3.74Å; L326-Y351 HydrophobicContact CD1-CD1 3.5Å; L326-Y351 VanDerWaalsContact CD1-CD1 3.5Å; L326-Y351 HydrophobicContact CD1-CE1 3.4Å; L326-Y351 HydrophobicContact CD1-CG 4.44Å; L326-L354 HydrophobicContact CD1-CD1 4.01Å; L326-L354 HydrophobicContact CD2-CD1 4.42Å; L326-I371 HydrophobicContact CD2-CD1 3.88Å; L326-I371 HydrophobicContact CD2-CG1 4.39Å; L326-V386 HydrophobicContact CD1-CG2 3.83Å; L326-V386 HydrophobicContact CD2-CG1 3.95Å; L326-V386 HydrophobicContact CG-CG1 4.18Å; L326-V386 HydrophobicContact CG-CG2 4.25Å
327	V	94.7	Very high	77.4	Confident	40 Å²	40	54.4 Å²	54.4	24%	0.242	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	134.5	-178.1	-174.1	0	0	0	0	110.6	Y300 F301 A302 T384 K448	Y300-V327 HydrophobicContact CD1-CG1 4.25Å; F301-V327 CarbonylContact O-C 3.54Å; F301-V327 WeakPolarHBondContact O-CA 3.47Å; A302-V327 HydrophobicContact CB-CG2 4.2Å; V327-T384 HydrophobicContact CG1-CG2 4.2Å; V327-T384 WeakPolarHBondContact O-CB 3.29Å; V327-T384 WeakPolarHBondContact O-CG2 3.12Å; V327-T384 PolarHBondContact O-OG1 2.9Å; V327-K448 HydrophobicContact CG1-CG 4.13Å; V327-K448 HydrophobicContact CG2-CG 4.15Å
328	I	94.3	Very high	80	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	149.8	177.9	-56.5	-172.5	0	0	0	109.5	Y300 F301 F303 L342 V386 K388	Y300-I328 VanDerWaalsContact CA-O 3.26Å; Y300-I328 WeakPolarHBondContact CA-O 3.4Å; F301-I328 HydrophobicContact CE1-CB 4.31Å; F301-I328 HydrophobicContact CE1-CG2 4.47Å; F301-I328 PolarHBondContact N-O 3.48Å; F301-I328 PolarHBondContact O-N 3.29Å; F303-I328 HydrophobicContact CD2-CD1 3.6Å; F303-I328 HydrophobicContact CD2-CG1 4.26Å; F303-I328 HydrophobicContact CE2-CD1 3.66Å; I328-L342 HydrophobicContact CD1-CD1 3.75Å; I328-L342 HydrophobicContact CD1-CD2 3.29Å; I328-L342 HydrophobicContact CD1-CG 4.07Å; I328-V386 HydrophobicContact CD1-CG1 3.9Å; I328-V386 HydrophobicContact CG1-CB 4.16Å; I328-V386 HydrophobicContact CG1-CG1 3.82Å; I328-K388 HydrophobicContact CD1-CB 4.14Å; I328-K388 HydrophobicContact CG2-CB 4.41Å
329	A	93.4	Very high	82.5	Confident	20 Å²	20	39.9 Å²	39.9	17%	0.165	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.7	172.6	0	0	0	0	0	110	M298 D299 Y300 T384	M298-A329 HydrophobicContact CG-CB 3.79Å; M298-A329 HydrophobicContact SD-CB 3.92Å; D299-A329 CarbonylContact O-C 3.59Å; D299-A329 WeakPolarHBondContact O-CA 3.39Å; Y300-A329 HydrophobicContact CD1-CB 3.9Å; Y300-A329 HydrophobicContact CD2-CB 4.47Å; Y300-A329 HydrophobicContact CE1-CB 3.6Å; Y300-A329 HydrophobicContact CE2-CB 4.18Å; Y300-A329 HydrophobicContact CG-CB 4.33Å; A329-T384 HydrophobicContact CB-CG2 4.18Å
330	T	94.1	Very high	85.3	Confident	16 Å²	16	34.3 Å²	34.3	10%	0.098	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	145.9	176.3	-175.8	0	0	0	0	112.3	M298 D299 F301 R332 L333	M298-T330 VanDerWaalsContact SD-CA 3.53Å; M298-T330 PolarHBondContact SD-N 3.14Å; M298-T330 VanDerWaalsContact SD-N 3.35Å; D299-T330 PolarHBondContact N-O 2.88Å; D299-T330 PolarHBondContact O-N 3.09Å; F301-T330 HydrophobicContact CD1-CG2 4.28Å; F301-T330 HydrophobicContact CE1-CG2 3.69Å; T330-R332 PolarHBondContact OG1-N 2.84Å; T330-R332 PolarHBondContact OG1-O 3.19Å; T330-L333 HydrophobicContact CG2-CB 4.18Å; T330-L333 HydrophobicContact CG2-CD1 4.01Å
331	T	93.5	Very high	87.7	Confident	54 Å²	54	30.2 Å²	30.2	33%	0.331	16%	0.156	S	C	.	.	S	Bend	trans	-90.6	-9.2	168.3	59	0	0	0	0	112.4	M298 I453	M298-T331 HydrophobicContact CE-CG2 3.61Å; M298-T331 HydrophobicContact SD-CG2 3.7Å; T331-I453 HydrophobicContact CG2-CD1 3.48Å; T331-I453 VanDerWaalsContact CG2-CD1 3.48Å; T331-I453 HydrophobicContact CG2-CG1 3.81Å
332	R	94.5	Very high	90.1	Very high	55 Å²	55	26.9 Å²	26.9	21%	0.208	13%	0.133	C	C	.	.			trans	-126.1	73.9	-177.6	-58	-163.1	65.4	-171.4	0.9	109.2	T330 E334 T335 K388 H393 E474	T330-R332 PolarHBondContact OG1-N 2.84Å; T330-R332 PolarHBondContact OG1-O 3.19Å; R332-E334 VanDerWaalsContact C-N 3.29Å; R332-E334 WeakPolarHBondContact CA-OE2 3.37Å; R332-E334 IonicContact NE-OE1 3.65Å; R332-E334 IonicContact NH2-OE1 2.63Å; R332-E334 PolarHBondContact O-N 2.88Å; R332-T335 HydrophobicContact CB-CG2 4.31Å; R332-T335 PolarHBondContact O-N 2.92Å; R332-T335 PolarHBondContact O-OG1 2.93Å; R332-K388 WeakPolarHBondContact O-CE 3.15Å; R332-H393 PolarHBondContact NH1-O 3.22Å; R332-H393 VanDerWaalsContact NH1-O 3.14Å; R332-E474 IonicContact CZ-OE1 2.58Å; R332-E474 IonicContact CZ-OE2 2.99Å; R332-E474 IonicContact NH1-OE1 2.81Å; R332-E474 PolarHBondContact NH1-OE1 3.45Å; R332-E474 IonicContact NH2-OE1 3.52Å; R332-E474 PolarHBondContact NH2-OE1 3.42Å; R332-E474 IonicContact NH2-OE2 2.78Å; R332-E474 PolarHBondContact NH2-OE2 3.43Å
333	L	96.7	Very high	92.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-66.9	-33.8	-178.8	-174.5	64.9	0	0	0	111.7	F301 T330 T335 M336 R434 L437 V438 L441	F301-L333 HydrophobicContact CD1-CD1 3.61Å; F301-L333 HydrophobicContact CE1-CD1 3.63Å; F301-L333 HydrophobicContact CG-CD1 4.13Å; F301-L333 HydrophobicContact CZ-CD1 4.14Å; T330-L333 HydrophobicContact CG2-CB 4.18Å; T330-L333 HydrophobicContact CG2-CD1 4.01Å; L333-T335 PolarHBondContact O-N 2.67Å; L333-M336 HydrophobicContact CD1-SD 4Å; L333-M336 WeakPolarHBondContact O-CB 3.38Å; L333-M336 WeakPolarHBondContact O-CG 3.41Å; L333-M336 PolarHBondContact O-N 3.47Å; L333-R434 HydrophobicContact CB-CG 4.18Å; L333-L437 HydrophobicContact CD2-CB 3.85Å; L333-L437 HydrophobicContact CG-CB 4.11Å; L333-V438 HydrophobicContact CD2-CB 4.48Å; L333-V438 HydrophobicContact CD2-CG2 3.5Å; L333-L441 HydrophobicContact CD1-CD1 3.88Å; L333-L441 HydrophobicContact CD2-CD1 4.12Å; L333-L441 HydrophobicContact CG-CD1 4.43Å
334	E	96.2	Very high	94.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-57.1	-30.9	177.6	67.2	-81	-170.8	0	0	113.8	R332 M336 F412 R430 R434 L437	R332-E334 VanDerWaalsContact C-N 3.29Å; R332-E334 WeakPolarHBondContact CA-OE2 3.37Å; R332-E334 IonicContact NE-OE1 3.65Å; R332-E334 IonicContact NH2-OE1 2.63Å; R332-E334 PolarHBondContact O-N 2.88Å; E334-M336 PolarHBondContact O-N 3.49Å; E334-F412 HydrophobicContact CB-CZ 4.24Å; E334-F412 HydrophobicContact CG-CE1 4.26Å; E334-F412 HydrophobicContact CG-CZ 3.58Å; E334-R430 WeakPolarHBondContact CB-O 3.14Å; E334-R430 HydrophobicContact CG-CB 4.3Å; E334-R434 HydrophobicContact CB-CB 4.21Å; E334-R434 VanDerWaalsContact CD-NH2 3.28Å; E334-R434 IonicContact OE1-CZ 3.74Å; E334-R434 IonicContact OE1-NE 3.53Å; E334-R434 IonicContact OE1-NH2 3.33Å; E334-R434 PolarHBondContact OE1-NH2 2.78Å; E334-R434 IonicContact OE2-CZ 2.62Å; E334-R434 IonicContact OE2-NE 3.99Å; E334-R434 PolarHBondContact OE2-NE 3.14Å; E334-R434 IonicContact OE2-NH2 3.57Å; E334-R434 PolarHBondContact OE2-NH2 3.29Å; E334-R434 VanDerWaalsContact OE2-NH2 3.15Å; E334-L437 HydrophobicContact CB-CD1 4.44Å
335	T	96.2	Very high	95.1	Very high	5 Å²	5	12.9 Å²	12.9	3%	0.031	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-78.9	-2.1	177.4	60.2	0	0	0	0	112	R332 L333 L337 A338 K388 S390 H393 F412	R332-T335 HydrophobicContact CB-CG2 4.31Å; R332-T335 PolarHBondContact O-N 2.92Å; R332-T335 PolarHBondContact O-OG1 2.93Å; L333-T335 PolarHBondContact O-N 2.67Å; T335-L337 PolarHBondContact O-N 2.88Å; T335-A338 WeakPolarHBondContact O-CB 3.32Å; T335-A338 PolarHBondContact O-N 3.09Å; T335-K388 PolarHBondContact O-NZ 3.2Å; T335-K388 PolarHBondContact OG1-NZ 3.32Å; T335-S390 PolarHBondContact O-OG 3.41Å; T335-H393 HydrophobicContact CG2-CB 3.83Å; T335-F412 HydrophobicContact CG2-CE2 3.79Å; T335-F412 HydrophobicContact CG2-CZ 3.97Å
336	M	95.6	Very high	95.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-59.2	-32.8	175.6	82.2	166.8	-68.8	0	0	112.1	F301 F303 L333 E334 A338 S339 H361 P362 F363 K388 L437 L441	F301-M336 HydrophobicContact CD2-CE 4.29Å; F301-M336 HydrophobicContact CE2-CE 3.57Å; F301-M336 HydrophobicContact CE2-SD 4.08Å; F301-M336 HydrophobicContact CZ-CB 4.26Å; F301-M336 HydrophobicContact CZ-CE 4.23Å; F301-M336 HydrophobicContact CZ-SD 4.41Å; F303-M336 HydrophobicContact CE1-CE 4.19Å; F303-M336 HydrophobicContact CZ-CE 3.9Å; L333-M336 HydrophobicContact CD1-SD 4Å; L333-M336 WeakPolarHBondContact O-CB 3.38Å; L333-M336 WeakPolarHBondContact O-CG 3.41Å; L333-M336 PolarHBondContact O-N 3.47Å; E334-M336 PolarHBondContact O-N 3.49Å; M336-A338 PolarHBondContact O-N 3.22Å; M336-S339 VanDerWaalsContact CA-OG 3.31Å; M336-S339 WeakPolarHBondContact CA-OG 3.41Å; M336-S339 WeakPolarHBondContact O-CB 3.3Å; M336-S339 PolarHBondContact O-N 2.94Å; M336-S339 PolarHBondContact O-OG 3.41Å; M336-H361 PolarHBondContact O-NE2 3.23Å; M336-H361 VanDerWaalsContact O-NE2 3.13Å; M336-P362 HydrophobicContact CE-CG 4.12Å; M336-F363 HydrophobicContact CE-CD2 4.19Å; M336-F363 HydrophobicContact CE-CE2 4.13Å; M336-F363 HydrophobicContact SD-CD2 4.27Å; M336-F363 HydrophobicContact SD-CE2 3.85Å; M336-K388 HydrophobicContact CB-CD 4.21Å; M336-L437 HydrophobicContact CG-CD1 4.34Å; M336-L437 HydrophobicContact CG-CD2 4.25Å; M336-L437 HydrophobicContact SD-CD2 3.98Å; M336-L441 HydrophobicContact SD-CD1 3.92Å; M336-L441 HydrophobicContact SD-CD2 4.5Å
337	L	96.3	Very high	95.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-63.6	-20.9	177.4	-61.7	173.1	0	0	0	112.6	T335 F363 Y364 V411 I418 T421 F425 L437	T335-L337 PolarHBondContact O-N 2.88Å; L337-F363 HydrophobicContact CD2-CB 4.25Å; L337-F363 HydrophobicContact CD2-CD2 4.04Å; L337-F363 HydrophobicContact CD2-CG 4.42Å; L337-Y364 VanDerWaalsContact O-CE2 3.31Å; L337-Y364 WeakPolarHBondContact O-CE2 3.43Å; L337-Y364 PolarHBondContact O-OH 3.39Å; L337-Y364 VanDerWaalsContact O-OH 3.12Å; L337-V411 HydrophobicContact CB-CG1 4.09Å; L337-V411 HydrophobicContact CB-CG2 4.44Å; L337-I418 HydrophobicContact CD1-CD1 3.98Å; L337-I418 HydrophobicContact CD1-CG1 4.49Å; L337-I418 HydrophobicContact CD1-CG2 4.16Å; L337-T421 HydrophobicContact CB-CG2 4.37Å; L337-T421 HydrophobicContact CD1-CG2 4.49Å; L337-F425 HydrophobicContact CD1-CB 3.91Å; L337-F425 HydrophobicContact CD1-CD2 3.82Å; L337-F425 HydrophobicContact CD1-CG 4Å; L337-F425 HydrophobicContact CD2-CD2 3.86Å; L337-F425 HydrophobicContact CD2-CE2 4.12Å; L337-F425 HydrophobicContact CG-CD2 4.49Å; L337-L437 HydrophobicContact CD1-CD1 4.31Å; L337-L437 HydrophobicContact CD2-CD2 4.21Å; L337-L437 HydrophobicContact CG-CD1 4.44Å; L337-L437 HydrophobicContact CG-CD2 4.4Å
338	A	95.5	Very high	95.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-95.3	8.1	175	0	0	0	0	0	113.1	T335 M336 H393 V411	T335-A338 WeakPolarHBondContact O-CB 3.32Å; T335-A338 PolarHBondContact O-N 3.09Å; M336-A338 PolarHBondContact O-N 3.22Å; A338-H393 VanDerWaalsContact CB-CD2 3.46Å; A338-H393 WeakPolarHBondContact CB-CD2 3.44Å; A338-V411 HydrophobicContact CB-CB 4.42Å; A338-V411 HydrophobicContact CB-CG1 3.77Å; A338-V411 HydrophobicContact CB-CG2 3.88Å
339	S	95.7	Very high	95.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.			trans	-73.7	133.5	-175.6	-49.3	0	0	0	0	110.6	M336 L369 L389	M336-S339 VanDerWaalsContact CA-OG 3.31Å; M336-S339 WeakPolarHBondContact CA-OG 3.41Å; M336-S339 WeakPolarHBondContact O-CB 3.3Å; M336-S339 PolarHBondContact O-N 2.94Å; M336-S339 PolarHBondContact O-OG 3.41Å; S339-L369 VanDerWaalsContact O-CD2 3.31Å; S339-L369 WeakPolarHBondContact O-CD2 3.3Å; S339-L389 CarbonylContact C-O 3.56Å; S339-L389 VanDerWaalsContact CA-O 3.26Å; S339-L389 WeakPolarHBondContact CA-O 3.46Å
340	I	95.9	Very high	95.2	Very high	15 Å²	15	30.7 Å²	30.7	8%	0.077	15%	0.146	C	C	.	.			trans	-118.5	-16	-178.4	56.3	122.6	0	0	0	113.5	P370 L389 P391 L406 P407 K409	I340-P370 WeakPolarHBondContact O-CD 3.33Å; I340-L389 HydrophobicContact CD1-CD2 3.96Å; I340-L389 HydrophobicContact CG1-CB 4.48Å; I340-L389 HydrophobicContact CG1-CD2 4.46Å; I340-L389 WeakPolarHBondContact CG1-O 3.26Å; I340-L389 PolarHBondContact N-O 3Å; I340-P391 HydrophobicContact CD1-CG 3.95Å; I340-P391 HydrophobicContact CG1-CG 3.71Å; I340-L406 HydrophobicContact CD1-CB 3.37Å; I340-L406 HydrophobicContact CD1-CD1 3.8Å; I340-L406 HydrophobicContact CD1-CG 4.11Å; I340-P407 WeakPolarHBondContact CD1-O 3.5Å; I340-K409 HydrophobicContact CG2-CB 3.84Å
341	A	96.9	Very high	95.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	161.1	177.4	0	0	0	0	0	109.9	P370 I372 L389 L406	A341-P370 WeakPolarHBondContact CA-O 3.27Å; A341-P370 HydrophobicContact CB-CG 4.1Å; A341-I372 HydrophobicContact CB-CG1 4.35Å; A341-L389 HydrophobicContact CB-CB 4.25Å; A341-L389 HydrophobicContact CB-CD2 4.36Å; A341-L389 WeakPolarHBondContact O-CB 3.22Å; A341-L389 PolarHBondContact O-N 2.99Å; A341-L406 HydrophobicContact CB-CD1 4.06Å
342	L	96.7	Very high	94.9	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	141.9	163.7	-57.2	-171.6	0	0	0	109	F303 L326 I328 V359 P370 I371 I372 V386 V387 K388	F303-L342 HydrophobicContact CB-CD1 4.25Å; F303-L342 HydrophobicContact CD2-CD1 4.03Å; F303-L342 HydrophobicContact CD2-CD2 4.19Å; F303-L342 HydrophobicContact CE2-CD2 3.99Å; F303-L342 HydrophobicContact CG-CD1 4.2Å; F303-L342 HydrophobicContact CZ-CD2 4.46Å; L326-L342 HydrophobicContact CD2-CD1 3.74Å; I328-L342 HydrophobicContact CD1-CD1 3.75Å; I328-L342 HydrophobicContact CD1-CD2 3.29Å; I328-L342 HydrophobicContact CD1-CG 4.07Å; L342-V359 HydrophobicContact CD1-CB 4.33Å; L342-V359 HydrophobicContact CD1-CG1 3.86Å; L342-V359 HydrophobicContact CD1-CG2 3.56Å; L342-V359 HydrophobicContact CG-CG2 3.98Å; L342-P370 PolarHBondContact N-O 2.85Å; L342-I371 HydrophobicContact CB-CG1 4.3Å; L342-I371 CarbonylContact O-C 3.46Å; L342-I371 WeakPolarHBondContact O-CA 3.34Å; L342-I372 WeakPolarHBondContact O-CG1 3.13Å; L342-I372 PolarHBondContact O-N 3.12Å; L342-V386 HydrophobicContact CB-CG1 4.41Å; L342-V387 CarbonylContact C-O 3.59Å; L342-V387 WeakPolarHBondContact CA-O 3.26Å; L342-K388 HydrophobicContact CD2-CB 3.92Å
343	V	96.8	Very high	94.7	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.9	-175.6	-162.8	0	0	0	0	109.7	I372 D374 L377 V378 V387 L389	V343-I372 WeakPolarHBondContact CA-O 3.25Å; V343-I372 HydrophobicContact CB-CG1 4.35Å; V343-I372 HydrophobicContact CG1-CD1 4.42Å; V343-I372 HydrophobicContact CG1-CG1 4.2Å; V343-I372 HydrophobicContact CG2-CD1 4.02Å; V343-I372 HydrophobicContact CG2-CG1 3.88Å; V343-D374 HydrophobicContact CG1-CB 3.57Å; V343-L377 HydrophobicContact CB-CD2 4.01Å; V343-L377 HydrophobicContact CG1-CD2 4.05Å; V343-L377 HydrophobicContact CG2-CD2 4.01Å; V343-V378 HydrophobicContact CB-CG2 3.93Å; V343-V378 HydrophobicContact CG1-CG2 3.64Å; V343-V387 HydrophobicContact CB-CB 4.47Å; V343-V387 PolarHBondContact N-O 3.17Å; V343-V387 PolarHBondContact O-N 3.37Å; V343-L389 HydrophobicContact CG2-CB 4.12Å; V343-L389 HydrophobicContact CG2-CD1 4.09Å; V343-L389 HydrophobicContact CG2-CD2 4.41Å; V343-L389 HydrophobicContact CG2-CG 4.46Å
344	V	96.3	Very high	94.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	163.2	175.1	-59.4	0	0	0	0	110.4	Y351 I355 I371 I372 S373 D374 V386	V344-Y351 HydrophobicContact CB-CD2 4.48Å; V344-Y351 HydrophobicContact CG1-CD2 4.17Å; V344-Y351 HydrophobicContact CG1-CG 4.07Å; V344-I355 HydrophobicContact CG2-CD1 4.19Å; V344-I355 HydrophobicContact CG2-CG1 3.68Å; V344-I371 HydrophobicContact CG1-CG2 4.27Å; V344-I371 HydrophobicContact CG2-CG2 4.22Å; V344-I372 PolarHBondContact N-O 3.15Å; V344-S373 VanDerWaalsContact O-CA 3.23Å; V344-S373 WeakPolarHBondContact O-CA 3.28Å; V344-D374 PolarHBondContact O-N 3.02Å; V344-D374 VanDerWaalsContact O-N 3.13Å; V344-V386 HydrophobicContact CG1-CB 4.36Å; V344-V386 HydrophobicContact CG1-CG1 4Å; V344-V386 HydrophobicContact CG1-CG2 4.01Å
345	H	96.5	Very high	94.2	Very high	30 Å²	30	38.4 Å²	38.4	14%	0.139	18%	0.18	C	C	.	.			trans	-77.6	135.5	172.6	-170.9	-83.2	0	0	0	109.5	D347 D348 V378 P380	H345-D347 IonicContact CE1-OD2 2.86Å; H345-D347 PolarHBondContact CE1-OD2 2.9Å; H345-D347 VanDerWaalsContact CE1-OD2 3.32Å; H345-D347 PolarHBondContact ND1-N 3.2Å; H345-D347 VanDerWaalsContact ND1-N 3.15Å; H345-D347 IonicContact ND1-OD2 3.18Å; H345-D347 PolarHBondContact O-N 3.48Å; H345-D348 HydrophobicContact CB-CB 4.09Å; H345-D348 WeakPolarHBondContact O-CB 3.45Å; H345-D348 PolarHBondContact O-N 2.85Å; H345-V378 HydrophobicContact CB-CB 4.2Å; H345-V378 HydrophobicContact CB-CG1 4.06Å; H345-V378 PolarHBondContact CD2-O 3.38Å; H345-P380 HydrophobicContact CB-CG 3.8Å
346	P	95.2	Very high	94	Very high	36 Å²	36	40.7 Å²	40.7	23%	0.234	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-31.1	-176.1	22.6	-33.7	0	0	0	113.9	Q352 A375	P346-Q352 WeakPolarHBondContact O-CG 3.46Å; P346-Q352 PolarHBondContact O-NE2 3.47Å; P346-A375 HydrophobicContact CG-CB 3.89Å
347	D	94.9	Very high	93.9	Very high	118 Å²	118	41.2 Å²	41.2	63%	0.631	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	0.2	179.1	-55.8	-42.5	0	0	0	114.1	H345 K349	H345-D347 IonicContact CE1-OD2 2.86Å; H345-D347 PolarHBondContact CE1-OD2 2.9Å; H345-D347 VanDerWaalsContact CE1-OD2 3.32Å; H345-D347 PolarHBondContact ND1-N 3.2Å; H345-D347 VanDerWaalsContact ND1-N 3.15Å; H345-D347 IonicContact ND1-OD2 3.18Å; H345-D347 PolarHBondContact O-N 3.48Å; D347-K349 PolarHBondContact O-N 3.47Å
348	D	93.5	Very high	93.8	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.064	23%	0.227	C	C	.	.			trans	-75.4	98	178.3	-170.2	-14.4	0	0	0	110.4	H345 R350 Y351 Q352	H345-D348 HydrophobicContact CB-CB 4.09Å; H345-D348 WeakPolarHBondContact O-CB 3.45Å; H345-D348 PolarHBondContact O-N 2.85Å; D348-R350 PolarHBondContact O-N 2.86Å; D348-R350 VanDerWaalsContact OD1-CB 3.24Å; D348-R350 WeakPolarHBondContact OD1-CB 3.39Å; D348-R350 WeakPolarHBondContact OD1-CG 3.49Å; D348-R350 IonicContact OD1-CZ 2.96Å; D348-R350 PolarHBondContact OD1-N 3.38Å; D348-R350 IonicContact OD1-NE 3.13Å; D348-R350 PolarHBondContact OD1-NE 3.14Å; D348-R350 IonicContact OD1-NH2 3.13Å; D348-R350 IonicContact OD2-CZ 2.61Å; D348-R350 VanDerWaalsContact OD2-CZ 3.29Å; D348-R350 IonicContact OD2-NE 3.55Å; D348-R350 PolarHBondContact OD2-NE 2.9Å; D348-R350 VanDerWaalsContact OD2-NE 3.15Å; D348-R350 IonicContact OD2-NH2 3.56Å; D348-R350 PolarHBondContact OD2-NH2 3.27Å; D348-Y351 HydrophobicContact CB-CD2 4.46Å; D348-Y351 PolarHBondContact O-N 2.98Å; D348-Y351 WeakPolarHBondContact OD2-CD2 3.39Å; D348-Q352 WeakPolarHBondContact O-CB 3.39Å; D348-Q352 PolarHBondContact O-N 3.37Å
349	K	91.6	Very high	93.8	Very high	183 Å²	183	46.2 Å²	46.2	80%	0.796	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	-24.1	-179.3	-63.1	-174.7	-179.6	-178.9	0	113.7	D347 Y351	D347-K349 PolarHBondContact O-N 3.47Å; K349-Y351 VanDerWaalsContact C-N 3.28Å; K349-Y351 PolarHBondContact O-N 2.94Å
350	R	90.9	Very high	93.7	Very high	120 Å²	120	49.4 Å²	49.4	45%	0.453	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-30.3	176.9	-59.2	175.1	-67.7	179.9	-1.2	112.4	D348 H353 P380	D348-R350 PolarHBondContact O-N 2.86Å; D348-R350 VanDerWaalsContact OD1-CB 3.24Å; D348-R350 WeakPolarHBondContact OD1-CB 3.39Å; D348-R350 WeakPolarHBondContact OD1-CG 3.49Å; D348-R350 IonicContact OD1-CZ 2.96Å; D348-R350 PolarHBondContact OD1-N 3.38Å; D348-R350 IonicContact OD1-NE 3.13Å; D348-R350 PolarHBondContact OD1-NE 3.14Å; D348-R350 IonicContact OD1-NH2 3.13Å; D348-R350 IonicContact OD2-CZ 2.61Å; D348-R350 VanDerWaalsContact OD2-CZ 3.29Å; D348-R350 IonicContact OD2-NE 3.55Å; D348-R350 PolarHBondContact OD2-NE 2.9Å; D348-R350 VanDerWaalsContact OD2-NE 3.15Å; D348-R350 IonicContact OD2-NH2 3.56Å; D348-R350 PolarHBondContact OD2-NH2 3.27Å; R350-H353 PolarHBondContact O-CE1 2.93Å; R350-P380 PolarHBondContact NH2-O 2.75Å
351	Y	92	Very high	93.6	Very high	37 Å²	37	48.7 Å²	48.7	15%	0.145	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.3	-7.2	-170.5	-50.6	-57.2	0	0	0	114.3	L326 V344 D348 K349 H353 L354 T384 V386	L326-Y351 HydrophobicContact CD1-CD1 3.5Å; L326-Y351 VanDerWaalsContact CD1-CD1 3.5Å; L326-Y351 HydrophobicContact CD1-CE1 3.4Å; L326-Y351 HydrophobicContact CD1-CG 4.44Å; V344-Y351 HydrophobicContact CB-CD2 4.48Å; V344-Y351 HydrophobicContact CG1-CD2 4.17Å; V344-Y351 HydrophobicContact CG1-CG 4.07Å; D348-Y351 HydrophobicContact CB-CD2 4.46Å; D348-Y351 PolarHBondContact O-N 2.98Å; D348-Y351 WeakPolarHBondContact OD2-CD2 3.39Å; K349-Y351 VanDerWaalsContact C-N 3.28Å; K349-Y351 PolarHBondContact O-N 2.94Å; Y351-H353 PolarHBondContact O-N 3.41Å; Y351-H353 VanDerWaalsContact O-N 3.1Å; Y351-L354 HydrophobicContact CD1-CD1 4.15Å; Y351-L354 WeakPolarHBondContact O-CA 3.46Å; Y351-L354 WeakPolarHBondContact O-CB 3.35Å; Y351-L354 PolarHBondContact O-N 2.96Å; Y351-T384 WeakPolarHBondContact CE2-O 3.34Å; Y351-T384 PolarHBondContact OH-O 3.16Å; Y351-T384 VanDerWaalsContact OH-O 3.09Å; Y351-V386 HydrophobicContact CD1-CG2 4.31Å; Y351-V386 HydrophobicContact CD2-CG2 3.83Å; Y351-V386 HydrophobicContact CE1-CG2 4.01Å; Y351-V386 HydrophobicContact CE2-CG2 3.49Å; Y351-V386 VanDerWaalsContact CE2-CG2 3.49Å; Y351-V386 HydrophobicContact CG-CG2 4.23Å
352	Q	89.6	Confident	93.4	Very high	102 Å²	102	50 Å²	50	48%	0.477	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-51.9	-36.9	-179	-175.1	177.5	35.3	0	0	112.8	P346 D348 L354 I355	P346-Q352 WeakPolarHBondContact O-CG 3.46Å; P346-Q352 PolarHBondContact O-NE2 3.47Å; D348-Q352 WeakPolarHBondContact O-CB 3.39Å; D348-Q352 PolarHBondContact O-N 3.37Å; Q352-L354 VanDerWaalsContact C-N 3.26Å; Q352-L354 PolarHBondContact O-N 2.99Å; Q352-I355 HydrophobicContact CG-CD1 4.41Å; Q352-I355 PolarHBondContact O-N 3.36Å
353	H	89.5	Confident	93.3	Very high	77 Å²	77	51.4 Å²	51.4	36%	0.356	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-72.9	-14.6	178.7	62.5	-92.3	0	0	0	114	P309 L312 R350 Y351	P309-H353 HydrophobicContact CG-CB 4.4Å; P309-H353 WeakPolarHBondContact CG-O 3.46Å; L312-H353 WeakPolarHBondContact CD1-CD2 3.47Å; L312-H353 WeakPolarHBondContact CD1-NE2 3.12Å; R350-H353 PolarHBondContact O-CE1 2.93Å; Y351-H353 PolarHBondContact O-N 3.41Å; Y351-H353 VanDerWaalsContact O-N 3.1Å
354	L	91.3	Very high	93.1	Very high	11 Å²	11	52.3 Å²	52.3	6%	0.058	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-92.4	-7.1	178.2	-58.4	177.3	0	0	0	112.8	V305 L326 Y351 Q352 G356 C357 I371	V305-L354 HydrophobicContact CG1-CD2 4.38Å; L326-L354 HydrophobicContact CD1-CD1 4.01Å; L326-L354 HydrophobicContact CD2-CD1 4.42Å; Y351-L354 HydrophobicContact CD1-CD1 4.15Å; Y351-L354 WeakPolarHBondContact O-CA 3.46Å; Y351-L354 WeakPolarHBondContact O-CB 3.35Å; Y351-L354 PolarHBondContact O-N 2.96Å; Q352-L354 VanDerWaalsContact C-N 3.26Å; Q352-L354 PolarHBondContact O-N 2.99Å; L354-G356 PolarHBondContact O-N 3.49Å; L354-C357 WeakPolarHBondContact O-CB 3.37Å; L354-C357 PolarHBondContact O-N 2.99Å; L354-I371 HydrophobicContact CB-CD1 3.84Å; L354-I371 HydrophobicContact CB-CG2 4.39Å; L354-I371 WeakPolarHBondContact O-CB 3.4Å
355	I	92	Very high	92.2	Very high	61 Å²	61	56.8 Å²	56.8	31%	0.313	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	124	179.4	-61.2	166.1	0	0	0	108.8	V344 Q352	V344-I355 HydrophobicContact CG2-CD1 4.19Å; V344-I355 HydrophobicContact CG2-CG1 3.68Å; Q352-I355 HydrophobicContact CG-CD1 4.41Å; Q352-I355 PolarHBondContact O-N 3.36Å
356	G	92.1	Very high	91.5	Very high	52 Å²	52	63 Å²	63	54%	0.536	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.6	-11.8	-174.3	0	0	0	0	0	114.6	L354 I371	L354-G356 PolarHBondContact O-N 3.49Å; G356-I371 PolarHBondContact N-O 3.31Å
357	C	93.5	Very high	91.2	Very high	12 Å²	12	64.1 Å²	64.1	8%	0.081	32%	0.322	C	S	.	.			trans	-74.8	170	169.4	-64.8	0	0	0	0	111	V305 D307 L354 I371	V305-C357 HydrophobicContact CG1-CB 4.32Å; D307-C357 PolarHBondContact O-SG 3.31Å; D307-C357 WeakPolarHBondContact OD1-CA 3.5Å; D307-C357 VanDerWaalsContact OD1-CB 3.26Å; D307-C357 WeakPolarHBondContact OD1-CB 3.35Å; D307-C357 WeakPolarHBondContact OD2-CA 3.45Å; L354-C357 WeakPolarHBondContact O-CB 3.37Å; L354-C357 PolarHBondContact O-N 2.99Å; C357-I371 HydrophobicContact CB-CD1 4.22Å; C357-I371 PolarHBondContact O-N 2.93Å
358	Y	94.4	Very high	91.1	Very high	104 Å²	104	63 Å²	63	41%	0.408	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	147.1	179.5	-68.8	-94.3	0	0	0	111.6	I306 D307 H368 L369 P370	I306-Y358 PolarHBondContact N-O 3.31Å; D307-Y358 PolarHBondContact OD1-N 2.95Å; Y358-H368 HydrophobicContact CD1-CB 3.88Å; Y358-H368 HydrophobicContact CG-CB 4.33Å; Y358-L369 CarbonylContact C-O 3.59Å; Y358-L369 WeakPolarHBondContact CA-O 3.25Å; Y358-P370 HydrophobicContact CD1-CB 4.17Å; Y358-P370 HydrophobicContact CE1-CB 3.82Å
359	V	94.3	Very high	91.2	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	150.2	168.1	-58.4	0	0	0	0	112.2	F303 R304 V305 L342 H368 L369 I371	F303-V359 HydrophobicContact CB-CB 3.79Å; F303-V359 HydrophobicContact CB-CG1 4.07Å; F303-V359 HydrophobicContact CB-CG2 3.84Å; F303-V359 HydrophobicContact CD1-CG2 3.9Å; F303-V359 HydrophobicContact CG-CB 4.48Å; F303-V359 HydrophobicContact CG-CG2 4.01Å; R304-V359 CarbonylContact O-C 3.59Å; R304-V359 WeakPolarHBondContact O-CA 3.48Å; R304-V359 VanDerWaalsContact O-CB 3.31Å; R304-V359 WeakPolarHBondContact O-CB 3.33Å; V305-V359 HydrophobicContact CG2-CG1 4.19Å; L342-V359 HydrophobicContact CD1-CB 4.33Å; L342-V359 HydrophobicContact CD1-CG1 3.86Å; L342-V359 HydrophobicContact CD1-CG2 3.56Å; L342-V359 HydrophobicContact CG-CG2 3.98Å; V359-H368 CarbonylContact O-C 3.6Å; V359-H368 WeakPolarHBondContact O-CA 3.42Å; V359-L369 HydrophobicContact CG2-CB 3.74Å; V359-L369 HydrophobicContact CG2-CD1 4.4Å; V359-L369 HydrophobicContact CG2-CG 4.32Å; V359-L369 PolarHBondContact N-O 2.89Å; V359-L369 PolarHBondContact O-N 3.45Å; V359-I371 HydrophobicContact CG1-CD1 3.83Å; V359-I371 HydrophobicContact CG1-CG1 4.08Å
360	E	93	Very high	91.4	Very high	67 Å²	67	55.1 Å²	55.1	31%	0.313	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	124.1	172.7	-171.7	-177.7	-159.7	0	0	109.7	F303 R304 I306 P362	F303-E360 WeakPolarHBondContact CD1-O 3.42Å; R304-E360 PolarHBondContact O-N 3.15Å; I306-E360 HydrophobicContact CD1-CB 3.82Å; I306-E360 HydrophobicContact CG1-CB 3.86Å; E360-P362 WeakPolarHBondContact O-CD 3.41Å
361	H	94.8	Very high	91.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	123.7	172.7	-173.9	-79.5	0	0	0	110.3	F303 M336 F363 Y364 E367 L369	F303-H361 AromaticContact CE1-CD2 3.84Å; M336-H361 PolarHBondContact O-NE2 3.23Å; M336-H361 VanDerWaalsContact O-NE2 3.13Å; H361-F363 PolarHBondContact ND1-N 3.22Å; H361-F363 PolarHBondContact O-N 3.35Å; H361-Y364 HydrophobicContact CB-CD2 4.13Å; H361-Y364 AromaticContact CD2-CD2 3.87Å; H361-Y364 AromaticContact CE1-CD2 3.29Å; H361-Y364 WeakPolarHBondContact CE1-CD2 3.34Å; H361-Y364 AromaticContact CE1-CE2 3.36Å; H361-Y364 WeakPolarHBondContact CE1-CE2 3.35Å; H361-Y364 AromaticContact CG-CD2 3.44Å; H361-Y364 VanDerWaalsContact CG-CD2 3.44Å; H361-Y364 AromaticContact ND1-CD2 3.03Å; H361-Y364 WeakPolarHBondContact ND1-CD2 3.41Å; H361-Y364 AromaticContact ND1-CE2 3.65Å; H361-Y364 AromaticContact ND1-CG 3.62Å; H361-Y364 PolarHBondContact ND1-N 3.29Å; H361-Y364 AromaticContact NE2-CD2 3.82Å; H361-Y364 AromaticContact NE2-CE2 3.77Å; H361-Y364 CarbonylContact O-C 3.52Å; H361-Y364 PolarHBondContact O-N 3.3Å; H361-E367 PolarHBondContact N-O 3.07Å; H361-L369 HydrophobicContact CB-CG 4.4Å
362	P	92.8	Very high	91.9	Very high	28 Å²	28	49.1 Å²	49.1	18%	0.182	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.3	-169.8	-28.1	35.9	0	0	0	116.2	F303 M336 E360 L441 L444 L446	F303-P362 HydrophobicContact CD1-CG 4.34Å; F303-P362 HydrophobicContact CE1-CG 4.43Å; M336-P362 HydrophobicContact CE-CG 4.12Å; E360-P362 WeakPolarHBondContact O-CD 3.41Å; P362-L441 HydrophobicContact CB-CD2 4.06Å; P362-L441 HydrophobicContact CG-CD2 4.09Å; P362-L444 HydrophobicContact CB-CD1 4.15Å; P362-L446 HydrophobicContact CB-CD1 3.74Å; P362-L446 HydrophobicContact CG-CD1 3.65Å
363	F	94.7	Very high	92.2	Very high	29 Å²	29	46.2 Å²	46.2	13%	0.127	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	1.5	-177	-54.4	-68.2	0	0	0	113.7	M336 L337 H361 T423 F425 L437 Q440 L441 L444	M336-F363 HydrophobicContact CE-CD2 4.19Å; M336-F363 HydrophobicContact CE-CE2 4.13Å; M336-F363 HydrophobicContact SD-CD2 4.27Å; M336-F363 HydrophobicContact SD-CE2 3.85Å; L337-F363 HydrophobicContact CD2-CB 4.25Å; L337-F363 HydrophobicContact CD2-CD2 4.04Å; L337-F363 HydrophobicContact CD2-CG 4.42Å; H361-F363 PolarHBondContact ND1-N 3.22Å; H361-F363 PolarHBondContact O-N 3.35Å; F363-T423 HydrophobicContact CB-CG2 4.35Å; F363-F425 HydrophobicContact CB-CE2 4.29Å; F363-F425 AromaticContact CD1-CE2 3.64Å; F363-F425 HydrophobicContact CD1-CE2 3.64Å; F363-F425 AromaticContact CD1-CZ 3.96Å; F363-F425 HydrophobicContact CD1-CZ 3.96Å; F363-F425 HydrophobicContact CD2-CE2 4.01Å; F363-F425 HydrophobicContact CD2-CZ 4.45Å; F363-F425 AromaticContact CE1-CE2 3.9Å; F363-F425 HydrophobicContact CE1-CE2 3.9Å; F363-F425 AromaticContact CE1-CZ 3.71Å; F363-F425 HydrophobicContact CE1-CZ 3.71Å; F363-F425 HydrophobicContact CE2-CE2 4.25Å; F363-F425 HydrophobicContact CE2-CZ 4.23Å; F363-F425 AromaticContact CG-CE2 3.7Å; F363-F425 HydrophobicContact CG-CE2 3.7Å; F363-F425 HydrophobicContact CG-CZ 4.33Å; F363-F425 HydrophobicContact CZ-CE2 4.19Å; F363-F425 AromaticContact CZ-CZ 3.85Å; F363-F425 HydrophobicContact CZ-CZ 3.85Å; F363-L437 HydrophobicContact CD2-CD2 3.87Å; F363-L437 HydrophobicContact CE2-CD2 3.33Å; F363-L437 HydrophobicContact CZ-CD2 3.84Å; F363-Q440 HydrophobicContact CE1-CB 3.73Å; F363-Q440 HydrophobicContact CZ-CB 3.84Å; F363-L441 HydrophobicContact CE2-CD2 3.83Å; F363-L441 HydrophobicContact CE2-CG 4.07Å; F363-L441 HydrophobicContact CZ-CD2 3.89Å; F363-L441 HydrophobicContact CZ-CG 3.95Å; F363-L444 HydrophobicContact CE1-CD1 3.94Å; F363-L444 HydrophobicContact CZ-CD1 4.28Å
364	Y	92.4	Very high	92.5	Very high	20 Å²	20	43.1 Å²	43.1	8%	0.078	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	85.9	175.6	-58.2	-53.4	0	0	0	108.6	L337 H361 N366 E367 T421 T423	L337-Y364 VanDerWaalsContact O-CE2 3.31Å; L337-Y364 WeakPolarHBondContact O-CE2 3.43Å; L337-Y364 PolarHBondContact O-OH 3.39Å; L337-Y364 VanDerWaalsContact O-OH 3.12Å; H361-Y364 HydrophobicContact CB-CD2 4.13Å; H361-Y364 AromaticContact CD2-CD2 3.87Å; H361-Y364 AromaticContact CE1-CD2 3.29Å; H361-Y364 WeakPolarHBondContact CE1-CD2 3.34Å; H361-Y364 AromaticContact CE1-CE2 3.36Å; H361-Y364 WeakPolarHBondContact CE1-CE2 3.35Å; H361-Y364 AromaticContact CG-CD2 3.44Å; H361-Y364 VanDerWaalsContact CG-CD2 3.44Å; H361-Y364 AromaticContact ND1-CD2 3.03Å; H361-Y364 WeakPolarHBondContact ND1-CD2 3.41Å; H361-Y364 AromaticContact ND1-CE2 3.65Å; H361-Y364 AromaticContact ND1-CG 3.62Å; H361-Y364 PolarHBondContact ND1-N 3.29Å; H361-Y364 AromaticContact NE2-CD2 3.82Å; H361-Y364 AromaticContact NE2-CE2 3.77Å; H361-Y364 CarbonylContact O-C 3.52Å; H361-Y364 PolarHBondContact O-N 3.3Å; Y364-N366 PolarHBondContact O-N 3.41Å; Y364-E367 VanDerWaalsContact CD2-OE2 3.24Å; Y364-E367 WeakPolarHBondContact CD2-OE2 3.4Å; Y364-E367 HydrophobicContact CG-CB 4.34Å; Y364-E367 PolarHBondContact O-N 3.33Å; Y364-T421 VanDerWaalsContact CE1-O 3.26Å; Y364-T421 WeakPolarHBondContact CE1-O 3.47Å; Y364-T421 VanDerWaalsContact OH-CB 3.28Å; Y364-T421 WeakPolarHBondContact OH-CB 3.24Å; Y364-T421 WeakPolarHBondContact OH-CG2 3.41Å; Y364-T423 HydrophobicContact CD1-CG2 4.1Å; Y364-T423 HydrophobicContact CE1-CG2 3.48Å; Y364-T423 VanDerWaalsContact CE1-CG2 3.48Å
365	P	77.1	Confident	92.6	Very high	93 Å²	93	45.3 Å²	45.3	60%	0.604	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.7	-20.8	-169.8	-25.3	33.3	0	0	0	115.3
366	N	82.6	Confident	92.6	Very high	160 Å²	160	49.7 Å²	49.7	86%	0.856	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.1	7.1	-178.4	-58.5	-34.3	0	0	0	113	Y364	Y364-N366 PolarHBondContact O-N 3.41Å
367	E	88.1	Confident	92.7	Very high	60 Å²	60	48.8 Å²	48.8	28%	0.28	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	113.8	-180	-165.2	175	161.6	0	0	109	H361 Y364 L369 K409	H361-E367 PolarHBondContact N-O 3.07Å; Y364-E367 VanDerWaalsContact CD2-OE2 3.24Å; Y364-E367 WeakPolarHBondContact CD2-OE2 3.4Å; Y364-E367 HydrophobicContact CG-CB 4.34Å; Y364-E367 PolarHBondContact O-N 3.33Å; E367-L369 HydrophobicContact CG-CD2 4.42Å; E367-K409 VanDerWaalsContact CD-NZ 3.25Å; E367-K409 IonicContact OE1-NZ 2.87Å; E367-K409 PolarHBondContact OE1-NZ 3.33Å; E367-K409 IonicContact OE2-NZ 2.68Å; E367-K409 PolarHBondContact OE2-NZ 2.92Å
368	H	93.2	Very high	92.7	Very high	94 Å²	94	48.3 Å²	48.3	44%	0.435	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.9	178.9	-59.9	170.6	0	0	0	109.4	I306 Y358 V359	I306-H368 HydrophobicContact CD1-CB 4.13Å; I306-H368 WeakPolarHBondContact CD1-CD2 3.3Å; I306-H368 VanDerWaalsContact CD1-CG 3.43Å; I306-H368 WeakPolarHBondContact CD1-NE2 3.3Å; Y358-H368 HydrophobicContact CD1-CB 3.88Å; Y358-H368 HydrophobicContact CG-CB 4.33Å; V359-H368 CarbonylContact O-C 3.6Å; V359-H368 WeakPolarHBondContact O-CA 3.42Å
369	L	95.2	Very high	92.5	Very high	2 Å²	2	48 Å²	48	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.2	179	-49.7	-175.5	0	0	0	110	F303 S339 Y358 V359 H361 E367	F303-L369 HydrophobicContact CE1-CD1 3.91Å; F303-L369 HydrophobicContact CZ-CD1 4.29Å; S339-L369 VanDerWaalsContact O-CD2 3.31Å; S339-L369 WeakPolarHBondContact O-CD2 3.3Å; Y358-L369 CarbonylContact C-O 3.59Å; Y358-L369 WeakPolarHBondContact CA-O 3.25Å; V359-L369 HydrophobicContact CG2-CB 3.74Å; V359-L369 HydrophobicContact CG2-CD1 4.4Å; V359-L369 HydrophobicContact CG2-CG 4.32Å; V359-L369 PolarHBondContact N-O 2.89Å; V359-L369 PolarHBondContact O-N 3.45Å; H361-L369 HydrophobicContact CB-CG 4.4Å; E367-L369 HydrophobicContact CG-CD2 4.42Å
370	P	96.2	Very high	92.3	Very high	29 Å²	29	49.7 Å²	49.7	19%	0.188	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	144.8	174.3	28.9	-35.1	0	0	0	111.2	I340 A341 L342 Y358 I372	I340-P370 WeakPolarHBondContact O-CD 3.33Å; A341-P370 WeakPolarHBondContact CA-O 3.27Å; A341-P370 HydrophobicContact CB-CG 4.1Å; L342-P370 PolarHBondContact N-O 2.85Å; Y358-P370 HydrophobicContact CD1-CB 4.17Å; Y358-P370 HydrophobicContact CE1-CB 3.82Å; P370-I372 HydrophobicContact CB-CG2 4.32Å
371	I	96.3	Very high	92	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	113.4	166.7	-56.3	172.9	0	0	0	107.7	L326 L342 V344 L354 G356 C357 V359	L326-I371 HydrophobicContact CD2-CD1 3.88Å; L326-I371 HydrophobicContact CD2-CG1 4.39Å; L342-I371 HydrophobicContact CB-CG1 4.3Å; L342-I371 CarbonylContact O-C 3.46Å; L342-I371 WeakPolarHBondContact O-CA 3.34Å; V344-I371 HydrophobicContact CG1-CG2 4.27Å; V344-I371 HydrophobicContact CG2-CG2 4.22Å; L354-I371 HydrophobicContact CB-CD1 3.84Å; L354-I371 HydrophobicContact CB-CG2 4.39Å; L354-I371 WeakPolarHBondContact O-CB 3.4Å; G356-I371 PolarHBondContact N-O 3.31Å; C357-I371 HydrophobicContact CB-CD1 4.22Å; C357-I371 PolarHBondContact O-N 2.93Å; V359-I371 HydrophobicContact CG1-CD1 3.83Å; V359-I371 HydrophobicContact CG1-CG1 4.08Å
372	I	96.3	Very high	91.5	Very high	30 Å²	30	58.1 Å²	58.1	15%	0.154	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	170.7	179.8	62	154.3	0	0	0	111.2	A341 L342 V343 V344 P370 H404 L406	A341-I372 HydrophobicContact CB-CG1 4.35Å; L342-I372 WeakPolarHBondContact O-CG1 3.13Å; L342-I372 PolarHBondContact O-N 3.12Å; V343-I372 WeakPolarHBondContact CA-O 3.25Å; V343-I372 HydrophobicContact CB-CG1 4.35Å; V343-I372 HydrophobicContact CG1-CD1 4.42Å; V343-I372 HydrophobicContact CG1-CG1 4.2Å; V343-I372 HydrophobicContact CG2-CD1 4.02Å; V343-I372 HydrophobicContact CG2-CG1 3.88Å; V344-I372 PolarHBondContact N-O 3.15Å; P370-I372 HydrophobicContact CB-CG2 4.32Å; I372-H404 HydrophobicContact CD1-CB 4.28Å; I372-L406 HydrophobicContact CD1-CD1 3.82Å
373	S	95.9	Very high	91.2	Very high	40 Å²	40	58.8 Å²	58.8	28%	0.28	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.2	176.5	62.9	0	0	0	0	112.7	V344 H404	V344-S373 VanDerWaalsContact O-CA 3.23Å; V344-S373 WeakPolarHBondContact O-CA 3.28Å; S373-H404 PolarHBondContact O-CE1 3.4Å
374	D	95.5	Very high	91.1	Very high	12 Å²	12	58 Å²	58	6%	0.064	32%	0.32	C	S	.	.			trans	-145.2	108.7	171.9	-169.5	-57.8	0	0	0	109.9	V343 V344 Q376 L377 V378 V400 R403 H404	V343-D374 HydrophobicContact CG1-CB 3.57Å; V344-D374 PolarHBondContact O-N 3.02Å; V344-D374 VanDerWaalsContact O-N 3.13Å; D374-Q376 VanDerWaalsContact C-N 3.28Å; D374-Q376 PolarHBondContact O-N 3.35Å; D374-Q376 WeakPolarHBondContact OD1-CA 3.3Å; D374-Q376 VanDerWaalsContact OD1-CB 3.31Å; D374-Q376 WeakPolarHBondContact OD1-CB 3.25Å; D374-Q376 PolarHBondContact OD1-N 3.01Å; D374-L377 HydrophobicContact CB-CB 4.16Å; D374-L377 PolarHBondContact OD1-N 3.24Å; D374-V378 PolarHBondContact O-N 3.27Å; D374-V400 HydrophobicContact CB-CG1 4.49Å; D374-R403 IonicContact OD1-NH2 2.65Å; D374-R403 PolarHBondContact OD1-NH2 3.42Å; D374-R403 IonicContact OD2-CZ 3.37Å; D374-R403 IonicContact OD2-NE 2.73Å; D374-R403 PolarHBondContact OD2-NE 3.38Å; D374-R403 IonicContact OD2-NH2 3.41Å; D374-R403 PolarHBondContact OD2-NH2 2.99Å; D374-H404 IonicContact OD2-CD2 2.69Å; D374-H404 IonicContact OD2-CE1 3.21Å; D374-H404 IonicContact OD2-NE2 3.56Å; D374-H404 PolarHBondContact OD2-NE2 3.07Å
375	A	93.9	Very high	91	Very high	58 Å²	58	57.1 Å²	57.1	48%	0.479	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-19.8	-178.7	0	0	0	0	0	113.6	P346	P346-A375 HydrophobicContact CG-CB 3.89Å
376	Q	93.2	Very high	91.9	Very high	152 Å²	152	53 Å²	53	71%	0.71	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-34.1	179.4	-173.4	-179.7	1.7	0	0	111.3	D374	D374-Q376 VanDerWaalsContact C-N 3.28Å; D374-Q376 PolarHBondContact O-N 3.35Å; D374-Q376 WeakPolarHBondContact OD1-CA 3.3Å; D374-Q376 VanDerWaalsContact OD1-CB 3.31Å; D374-Q376 WeakPolarHBondContact OD1-CB 3.25Å; D374-Q376 PolarHBondContact OD1-N 3.01Å
377	L	92.9	Very high	92.5	Very high	33 Å²	33	47.5 Å²	47.5	17%	0.173	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-49.3	179.2	179.8	65.9	0	0	0	112.9	V343 D374 V387 L389 V396 V400	V343-L377 HydrophobicContact CB-CD2 4.01Å; V343-L377 HydrophobicContact CG1-CD2 4.05Å; V343-L377 HydrophobicContact CG2-CD2 4.01Å; D374-L377 HydrophobicContact CB-CB 4.16Å; D374-L377 PolarHBondContact OD1-N 3.24Å; L377-V387 HydrophobicContact CD2-CB 4.27Å; L377-V387 HydrophobicContact CD2-CG1 4.02Å; L377-L389 HydrophobicContact CD2-CD1 4.1Å; L377-V396 HydrophobicContact CD1-CG1 3.41Å; L377-V396 VanDerWaalsContact CD1-CG1 3.41Å; L377-V400 HydrophobicContact CB-CG2 3.97Å; L377-V400 HydrophobicContact CD1-CG2 3.96Å; L377-V400 HydrophobicContact CD2-CG1 4.26Å; L377-V400 HydrophobicContact CD2-CG2 3.77Å; L377-V400 HydrophobicContact CG-CG2 4.12Å
378	V	93	Very high	92.9	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.012	25%	0.251	C	S	.	.			trans	-96.1	120.8	-161.9	-177.2	0	0	0	0	110.9	V343 H345 D374 G385 V387	V343-V378 HydrophobicContact CB-CG2 3.93Å; V343-V378 HydrophobicContact CG1-CG2 3.64Å; H345-V378 HydrophobicContact CB-CB 4.2Å; H345-V378 HydrophobicContact CB-CG1 4.06Å; H345-V378 PolarHBondContact CD2-O 3.38Å; D374-V378 PolarHBondContact O-N 3.27Å; V378-G385 WeakPolarHBondContact CG1-O 3.01Å; V378-V387 HydrophobicContact CG2-CB 4.4Å; V378-V387 HydrophobicContact CG2-CG2 4.03Å
379	Q	90.7	Very high	93	Very high	97 Å²	97	40.8 Å²	40.8	45%	0.453	23%	0.23	S	C	.	.			trans	-100.1	114.5	168.1	-70.6	178.4	4.1	0	0	108.7	E381 I382	Q379-E381 PolarHBondContact O-N 3.12Å; Q379-I382 HydrophobicContact CB-CB 4.37Å; Q379-I382 HydrophobicContact CB-CD1 4.05Å; Q379-I382 HydrophobicContact CB-CG1 3.95Å; Q379-I382 PolarHBondContact O-N 2.96Å
380	P	90.2	Very high	93	Very high	37 Å²	37	40.7 Å²	40.7	24%	0.24	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-31.2	-175.2	-28.7	35.2	0	0	0	114.7	H345 R350	H345-P380 HydrophobicContact CB-CG 3.8Å; R350-P380 PolarHBondContact NH2-O 2.75Å
381	E	87.7	Confident	92.9	Very high	143 Å²	143	39.3 Å²	39.3	67%	0.668	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-15.3	-178.2	64.1	-82.7	-170.1	0	0	114.5	Q379	Q379-E381 PolarHBondContact O-N 3.12Å
382	I	84.6	Confident	92.8	Very high	101 Å²	101	39.3 Å²	39.3	52%	0.518	22%	0.221	S	C	.	.	S	Bend	trans	-89.9	123.6	-178.7	-62.9	-170.8	0	0	0	110.8	Q379 T384 G385	Q379-I382 HydrophobicContact CB-CB 4.37Å; Q379-I382 HydrophobicContact CB-CD1 4.05Å; Q379-I382 HydrophobicContact CB-CG1 3.95Å; Q379-I382 PolarHBondContact O-N 2.96Å; I382-T384 PolarHBondContact O-N 2.67Å; I382-G385 PolarHBondContact O-N 2.94Å
383	G	85.9	Confident	92.7	Very high	42 Å²	42	38 Å²	38	43%	0.433	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	-109.3	176.3	0	0	0	0	0	111.7
384	T	91.5	Very high	92.6	Very high	13 Å²	13	37.6 Å²	37.6	8%	0.08	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-9.7	175.3	53.2	0	0	0	0	112.9	Y300 V327 A329 Y351 I382 V386	Y300-T384 HydrophobicContact CD1-CG2 3.83Å; Y300-T384 HydrophobicContact CE1-CG2 3.78Å; V327-T384 HydrophobicContact CG1-CG2 4.2Å; V327-T384 WeakPolarHBondContact O-CB 3.29Å; V327-T384 WeakPolarHBondContact O-CG2 3.12Å; V327-T384 PolarHBondContact O-OG1 2.9Å; A329-T384 HydrophobicContact CB-CG2 4.18Å; Y351-T384 WeakPolarHBondContact CE2-O 3.34Å; Y351-T384 PolarHBondContact OH-O 3.16Å; Y351-T384 VanDerWaalsContact OH-O 3.09Å; I382-T384 PolarHBondContact O-N 2.67Å; T384-V386 PolarHBondContact OG1-N 3.04Å; T384-V386 PolarHBondContact OG1-O 3.2Å
385	G	91.8	Very high	92.4	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.01	23%	0.229	C	C	.	.	S	Bend	trans	77	9.5	-164.9	0	0	0	0	0	113.8	V378 I382	V378-G385 WeakPolarHBondContact CG1-O 3.01Å; I382-G385 PolarHBondContact O-N 2.94Å
386	V	94.9	Very high	92.3	Very high	6 Å²	6	42.5 Å²	42.5	4%	0.036	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.8	176.5	-170.8	0	0	0	0	109	L326 I328 L342 V344 Y351 T384	L326-V386 HydrophobicContact CD1-CG2 3.83Å; L326-V386 HydrophobicContact CD2-CG1 3.95Å; L326-V386 HydrophobicContact CG-CG1 4.18Å; L326-V386 HydrophobicContact CG-CG2 4.25Å; I328-V386 HydrophobicContact CD1-CG1 3.9Å; I328-V386 HydrophobicContact CG1-CB 4.16Å; I328-V386 HydrophobicContact CG1-CG1 3.82Å; L342-V386 HydrophobicContact CB-CG1 4.41Å; V344-V386 HydrophobicContact CG1-CB 4.36Å; V344-V386 HydrophobicContact CG1-CG1 4Å; V344-V386 HydrophobicContact CG1-CG2 4.01Å; Y351-V386 HydrophobicContact CD1-CG2 4.31Å; Y351-V386 HydrophobicContact CD2-CG2 3.83Å; Y351-V386 HydrophobicContact CE1-CG2 4.01Å; Y351-V386 HydrophobicContact CE2-CG2 3.49Å; Y351-V386 VanDerWaalsContact CE2-CG2 3.49Å; Y351-V386 HydrophobicContact CG-CG2 4.23Å; T384-V386 PolarHBondContact OG1-N 3.04Å; T384-V386 PolarHBondContact OG1-O 3.2Å
387	V	95.2	Very high	92.3	Very high	44 Å²	44	36.1 Å²	36.1	27%	0.267	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	130	179.7	179	0	0	0	0	109.4	L342 V343 L377 V378	L342-V387 CarbonylContact C-O 3.59Å; L342-V387 WeakPolarHBondContact CA-O 3.26Å; V343-V387 HydrophobicContact CB-CB 4.47Å; V343-V387 PolarHBondContact N-O 3.17Å; V343-V387 PolarHBondContact O-N 3.37Å; L377-V387 HydrophobicContact CD2-CB 4.27Å; L377-V387 HydrophobicContact CD2-CG1 4.02Å; V378-V387 HydrophobicContact CG2-CB 4.4Å; V378-V387 HydrophobicContact CG2-CG2 4.03Å
388	K	96	Very high	92.3	Very high	13 Å²	13	36.3 Å²	36.3	6%	0.057	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	132.9	165.7	71.7	178.5	-168.8	62.2	0	108.8	F301 I328 R332 T335 M336 L342 S390	F301-K388 HydrophobicContact CZ-CD 4.2Å; I328-K388 HydrophobicContact CD1-CB 4.14Å; I328-K388 HydrophobicContact CG2-CB 4.41Å; R332-K388 WeakPolarHBondContact O-CE 3.15Å; T335-K388 PolarHBondContact O-NZ 3.2Å; T335-K388 PolarHBondContact OG1-NZ 3.32Å; M336-K388 HydrophobicContact CB-CD 4.21Å; L342-K388 HydrophobicContact CD2-CB 3.92Å; K388-S390 PolarHBondContact NZ-OG 3.48Å
389	L	96.2	Very high	92.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	110.6	-177.9	-159	72.3	0	0	0	110.7	S339 I340 A341 V343 L377 P391 D397 V400 A401 L406	S339-L389 CarbonylContact C-O 3.56Å; S339-L389 VanDerWaalsContact CA-O 3.26Å; S339-L389 WeakPolarHBondContact CA-O 3.46Å; I340-L389 HydrophobicContact CD1-CD2 3.96Å; I340-L389 HydrophobicContact CG1-CB 4.48Å; I340-L389 HydrophobicContact CG1-CD2 4.46Å; I340-L389 WeakPolarHBondContact CG1-O 3.26Å; I340-L389 PolarHBondContact N-O 3Å; A341-L389 HydrophobicContact CB-CB 4.25Å; A341-L389 HydrophobicContact CB-CD2 4.36Å; A341-L389 WeakPolarHBondContact O-CB 3.22Å; A341-L389 PolarHBondContact O-N 2.99Å; V343-L389 HydrophobicContact CG2-CB 4.12Å; V343-L389 HydrophobicContact CG2-CD1 4.09Å; V343-L389 HydrophobicContact CG2-CD2 4.41Å; V343-L389 HydrophobicContact CG2-CG 4.46Å; L377-L389 HydrophobicContact CD2-CD1 4.1Å; L389-P391 VanDerWaalsContact C-CD 3.45Å; L389-P391 VanDerWaalsContact O-CD 3.32Å; L389-P391 WeakPolarHBondContact O-CD 3.31Å; L389-D397 HydrophobicContact CD1-CB 3.53Å; L389-D397 HydrophobicContact CG-CB 4.02Å; L389-V400 HydrophobicContact CD1-CB 3.92Å; L389-V400 HydrophobicContact CD1-CG1 3.88Å; L389-V400 HydrophobicContact CD1-CG2 4.45Å; L389-V400 HydrophobicContact CD2-CG1 4.03Å; L389-A401 HydrophobicContact CD2-CB 4.3Å; L389-L406 HydrophobicContact CD2-CD1 3.58Å
390	S	95.5	Very high	92.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	19%	0.194	C	C	.	.			trans	-118.9	68.1	179.6	-60.3	0	0	0	0	110.6	T335 K388 G392 H393 S394 D397	T335-S390 PolarHBondContact O-OG 3.41Å; K388-S390 PolarHBondContact NZ-OG 3.48Å; S390-G392 PolarHBondContact O-N 2.98Å; S390-H393 PolarHBondContact O-N 2.87Å; S390-S394 PolarHBondContact O-N 3.16Å; S390-D397 PolarHBondContact N-OD2 2.91Å
391	P	93.9	Very high	92.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-13.9	-168.3	28.6	-37.8	0	0	0	114.9	F257 I340 L389 H393 D397 W398 A401 V408	F257-P391 VanDerWaalsContact CZ-O 3.3Å; F257-P391 WeakPolarHBondContact CZ-O 3.19Å; I340-P391 HydrophobicContact CD1-CG 3.95Å; I340-P391 HydrophobicContact CG1-CG 3.71Å; L389-P391 VanDerWaalsContact C-CD 3.45Å; L389-P391 VanDerWaalsContact O-CD 3.32Å; L389-P391 WeakPolarHBondContact O-CD 3.31Å; P391-H393 VanDerWaalsContact C-N 3.32Å; P391-D397 HydrophobicContact CB-CB 4.46Å; P391-W398 HydrophobicContact CB-CB 4.3Å; P391-A401 HydrophobicContact CB-CB 3.62Å; P391-A401 HydrophobicContact CG-CB 4.06Å; P391-V408 HydrophobicContact CB-CG1 4.45Å; P391-V408 HydrophobicContact CB-CG2 4.36Å; P391-V408 HydrophobicContact CG-CG1 4.47Å; P391-V408 HydrophobicContact CG-CG2 4.5Å
392	G	93.7	Very high	92.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-14.2	172.5	0	0	0	0	0	114.6	S390 K409	S390-G392 PolarHBondContact O-N 2.98Å; G392-K409 WeakPolarHBondContact CA-O 3.4Å
393	H	94.5	Very high	93.4	Very high	3 Å²	3	32.5 Å²	32.5	1%	0.014	17%	0.169	C	C	.	.	S	Bend	trans	-136.8	10.1	-169.3	-53.8	-74.1	0	0	0	114.1	R332 T335 A338 S390 P391 V411 F412 P475	R332-H393 PolarHBondContact NH1-O 3.22Å; R332-H393 VanDerWaalsContact NH1-O 3.14Å; T335-H393 HydrophobicContact CG2-CB 3.83Å; A338-H393 VanDerWaalsContact CB-CD2 3.46Å; A338-H393 WeakPolarHBondContact CB-CD2 3.44Å; S390-H393 PolarHBondContact O-N 2.87Å; P391-H393 VanDerWaalsContact C-N 3.32Å; H393-V411 PolarHBondContact NE2-N 3.44Å; H393-V411 VanDerWaalsContact NE2-N 3.18Å; H393-F412 AromaticContact CE1-CD2 3.33Å; H393-F412 WeakPolarHBondContact CE1-CD2 3.34Å; H393-F412 AromaticContact CE1-CE2 3.99Å; H393-F412 AromaticContact CE1-CG 3.82Å; H393-F412 AromaticContact ND1-CD2 3.18Å; H393-F412 WeakPolarHBondContact ND1-CD2 3.33Å; H393-F412 AromaticContact ND1-CE2 3.64Å; H393-P475 WeakPolarHBondContact CA-O 3.47Å
394	S	93.1	Very high	93.8	Very high	31 Å²	31	33.7 Å²	33.7	22%	0.217	16%	0.164	C	C	.	.			trans	-147.2	123	176.7	168	0	0	0	0	109.2	F257 S390 V396 D397 W398	F257-S394 VanDerWaalsContact CZ-C 3.48Å; F257-S394 WeakPolarHBondContact CZ-O 3.43Å; S390-S394 PolarHBondContact O-N 3.16Å; S394-V396 VanDerWaalsContact C-N 3.33Å; S394-V396 PolarHBondContact O-N 3.16Å; S394-D397 WeakPolarHBondContact CB-OD1 3.44Å; S394-D397 WeakPolarHBondContact CB-OD2 3.35Å; S394-D397 PolarHBondContact O-N 3.47Å; S394-D397 PolarHBondContact OG-N 2.85Å; S394-D397 PolarHBondContact OG-OD1 3.13Å; S394-W398 PolarHBondContact O-N 3.35Å
395	Q	91.5	Very high	94	Very high	95 Å²	95	41.6 Å²	41.6	44%	0.444	20%	0.2	S	C	.	.	H	α-helix	trans	-62.3	-42.8	179.3	179.5	177.7	-11.1	0	0	111.6	F257 D397 W398 E399	F257-Q395 HydrophobicContact CB-CB 4.35Å; F257-Q395 HydrophobicContact CB-CG 4.37Å; F257-Q395 HydrophobicContact CD1-CB 4.18Å; F257-Q395 HydrophobicContact CD2-CB 4.07Å; F257-Q395 HydrophobicContact CD2-CG 4.18Å; F257-Q395 HydrophobicContact CG-CB 3.89Å; F257-Q395 HydrophobicContact CG-CG 4.23Å; Q395-D397 VanDerWaalsContact C-N 3.29Å; Q395-D397 PolarHBondContact O-N 3.22Å; Q395-W398 WeakPolarHBondContact O-CB 3.35Å; Q395-W398 PolarHBondContact O-N 3.33Å; Q395-E399 PolarHBondContact NE2-OE1 3.03Å; Q395-E399 WeakPolarHBondContact O-CG 3.35Å; Q395-E399 PolarHBondContact O-N 3.49Å
396	V	92.1	Very high	94.1	Very high	79 Å²	79	43.2 Å²	43.2	48%	0.479	21%	0.208	S	C	.	.	H	α-helix	trans	-62.5	-41.7	178.8	-174.6	0	0	0	0	110	L377 S394 W398 E399 V400	L377-V396 HydrophobicContact CD1-CG1 3.41Å; L377-V396 VanDerWaalsContact CD1-CG1 3.41Å; S394-V396 VanDerWaalsContact C-N 3.33Å; S394-V396 PolarHBondContact O-N 3.16Å; V396-W398 VanDerWaalsContact C-N 3.29Å; V396-W398 PolarHBondContact O-N 3.27Å; V396-E399 PolarHBondContact O-N 2.62Å; V396-V400 WeakPolarHBondContact O-CG2 3.36Å; V396-V400 PolarHBondContact O-N 3.27Å; V396-V400 VanDerWaalsContact O-N 3.15Å
397	D	94.3	Very high	94.1	Very high	17 Å²	17	47.3 Å²	47.3	9%	0.091	23%	0.234	C	C	.	.	H	α-helix	trans	-66.6	-34.1	179.3	-61.6	20	0	0	0	111.6	L389 S390 P391 S394 Q395 V400 A401	L389-D397 HydrophobicContact CD1-CB 3.53Å; L389-D397 HydrophobicContact CG-CB 4.02Å; S390-D397 PolarHBondContact N-OD2 2.91Å; P391-D397 HydrophobicContact CB-CB 4.46Å; S394-D397 WeakPolarHBondContact CB-OD1 3.44Å; S394-D397 WeakPolarHBondContact CB-OD2 3.35Å; S394-D397 PolarHBondContact O-N 3.47Å; S394-D397 PolarHBondContact OG-N 2.85Å; S394-D397 PolarHBondContact OG-OD1 3.13Å; Q395-D397 VanDerWaalsContact C-N 3.29Å; Q395-D397 PolarHBondContact O-N 3.22Å; D397-V400 PolarHBondContact O-N 3.5Å; D397-A401 WeakPolarHBondContact O-CB 3.48Å; D397-A401 PolarHBondContact O-N 2.99Å
398	W	92.7	Very high	93.9	Very high	38 Å²	38	47.6 Å²	47.6	14%	0.144	24%	0.236	C	C	.	.	H	α-helix	trans	-70.4	-39.6	176.3	-178.9	69	0	0	0	113.4	F257 P391 S394 Q395 V396 V400 A401 K402 I477	F257-W398 HydrophobicContact CD2-CB 4.18Å; F257-W398 AromaticContact CD2-CD2 3.87Å; F257-W398 HydrophobicContact CD2-CD2 3.87Å; F257-W398 AromaticContact CD2-CE3 3.64Å; F257-W398 HydrophobicContact CD2-CE3 3.64Å; F257-W398 HydrophobicContact CD2-CG 4.17Å; F257-W398 HydrophobicContact CD2-CZ3 4.12Å; F257-W398 HydrophobicContact CE2-CB 3.27Å; F257-W398 AromaticContact CE2-CD2 3.62Å; F257-W398 HydrophobicContact CE2-CD2 3.62Å; F257-W398 AromaticContact CE2-CE3 3.87Å; F257-W398 HydrophobicContact CE2-CE3 3.87Å; F257-W398 AromaticContact CE2-CG 3.44Å; F257-W398 HydrophobicContact CE2-CG 3.44Å; F257-W398 VanDerWaalsContact CE2-CG 3.44Å; F257-W398 HydrophobicContact CZ-CB 3.94Å; F257-W398 HydrophobicContact CZ-CG 4.41Å; P391-W398 HydrophobicContact CB-CB 4.3Å; S394-W398 PolarHBondContact O-N 3.35Å; Q395-W398 WeakPolarHBondContact O-CB 3.35Å; Q395-W398 PolarHBondContact O-N 3.33Å; V396-W398 VanDerWaalsContact C-N 3.29Å; V396-W398 PolarHBondContact O-N 3.27Å; W398-V400 VanDerWaalsContact C-N 3.28Å; W398-V400 PolarHBondContact O-N 3.08Å; W398-A401 PolarHBondContact O-N 3.2Å; W398-K402 HydrophobicContact CD2-CD 4.28Å; W398-K402 HydrophobicContact CE3-CD 4.48Å; W398-K402 HydrophobicContact CZ2-CD 4.35Å; W398-K402 PolarHBondContact O-N 2.96Å; W398-I477 HydrophobicContact CD2-CD1 4.48Å; W398-I477 HydrophobicContact CG-CD1 4.13Å
399	E	92.7	Very high	93.8	Very high	80 Å²	80	49 Å²	49	37%	0.374	24%	0.243	S	C	.	.	H	α-helix	trans	-61.5	-40.9	174.1	-71.7	171.9	-168.6	0	0	110.8	Q395 V396 K402 R403	Q395-E399 PolarHBondContact NE2-OE1 3.03Å; Q395-E399 WeakPolarHBondContact O-CG 3.35Å; Q395-E399 PolarHBondContact O-N 3.49Å; V396-E399 PolarHBondContact O-N 2.62Å; E399-K402 PolarHBondContact O-N 3.12Å; E399-R403 WeakPolarHBondContact O-CG 3.45Å; E399-R403 PolarHBondContact O-N 3.35Å
400	V	94.8	Very high	93.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.1	-48.7	172.8	177.2	0	0	0	0	110.3	D374 L377 L389 V396 D397 W398 K402 R403 H404	D374-V400 HydrophobicContact CB-CG1 4.49Å; L377-V400 HydrophobicContact CB-CG2 3.97Å; L377-V400 HydrophobicContact CD1-CG2 3.96Å; L377-V400 HydrophobicContact CD2-CG1 4.26Å; L377-V400 HydrophobicContact CD2-CG2 3.77Å; L377-V400 HydrophobicContact CG-CG2 4.12Å; L389-V400 HydrophobicContact CD1-CB 3.92Å; L389-V400 HydrophobicContact CD1-CG1 3.88Å; L389-V400 HydrophobicContact CD1-CG2 4.45Å; L389-V400 HydrophobicContact CD2-CG1 4.03Å; V396-V400 WeakPolarHBondContact O-CG2 3.36Å; V396-V400 PolarHBondContact O-N 3.27Å; V396-V400 VanDerWaalsContact O-N 3.15Å; D397-V400 PolarHBondContact O-N 3.5Å; W398-V400 VanDerWaalsContact C-N 3.28Å; W398-V400 PolarHBondContact O-N 3.08Å; V400-K402 PolarHBondContact O-N 3.47Å; V400-R403 WeakPolarHBondContact O-CB 3.34Å; V400-R403 PolarHBondContact O-N 3.27Å; V400-H404 PolarHBondContact O-CD2 2.65Å; V400-H404 VanDerWaalsContact O-CD2 3.26Å; V400-H404 PolarHBondContact O-N 3.1Å
401	A	94.2	Very high	93.6	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.008	26%	0.26	C	S	.	.	H	α-helix	trans	-57.4	-38.5	178.2	0	0	0	0	0	111.9	L389 P391 D397 W398 H404 Q405 L406	L389-A401 HydrophobicContact CD2-CB 4.3Å; P391-A401 HydrophobicContact CB-CB 3.62Å; P391-A401 HydrophobicContact CG-CB 4.06Å; D397-A401 WeakPolarHBondContact O-CB 3.48Å; D397-A401 PolarHBondContact O-N 2.99Å; W398-A401 PolarHBondContact O-N 3.2Å; A401-H404 CarbonylContact O-C 3.56Å; A401-H404 PolarHBondContact O-N 3.25Å; A401-Q405 CarbonylContact O-C 3.41Å; A401-Q405 WeakPolarHBondContact O-CA 3.37Å; A401-Q405 PolarHBondContact O-N 2.97Å; A401-L406 HydrophobicContact CB-CB 4.07Å; A401-L406 PolarHBondContact O-N 3.29Å
402	K	92.5	Very high	93.7	Very high	124 Å²	124	54 Å²	54	54%	0.539	26%	0.262	S	S	.	.	H	α-helix	trans	-63.3	-45.9	172.1	-79.3	-178.1	167.9	178.6	0	112.8	W398 E399 V400 H404 Q405	W398-K402 HydrophobicContact CD2-CD 4.28Å; W398-K402 HydrophobicContact CE3-CD 4.48Å; W398-K402 HydrophobicContact CZ2-CD 4.35Å; W398-K402 PolarHBondContact O-N 2.96Å; E399-K402 PolarHBondContact O-N 3.12Å; V400-K402 PolarHBondContact O-N 3.47Å; K402-H404 VanDerWaalsContact C-N 3.28Å; K402-H404 PolarHBondContact O-N 3.11Å; K402-Q405 PolarHBondContact O-N 3.41Å
403	R	94.3	Very high	93.7	Very high	94 Å²	94	56.7 Å²	56.7	36%	0.355	28%	0.276	S	S	.	.	H	α-helix	trans	-59.8	-39.7	177.8	-71.9	-167.9	-57.1	-94.5	11.6	112.1	D374 E399 V400	D374-R403 IonicContact OD1-NH2 2.65Å; D374-R403 PolarHBondContact OD1-NH2 3.42Å; D374-R403 IonicContact OD2-CZ 3.37Å; D374-R403 IonicContact OD2-NE 2.73Å; D374-R403 PolarHBondContact OD2-NE 3.38Å; D374-R403 IonicContact OD2-NH2 3.41Å; D374-R403 PolarHBondContact OD2-NH2 2.99Å; E399-R403 WeakPolarHBondContact O-CG 3.45Å; E399-R403 PolarHBondContact O-N 3.35Å; V400-R403 WeakPolarHBondContact O-CB 3.34Å; V400-R403 PolarHBondContact O-N 3.27Å
404	H	95.2	Very high	93.6	Very high	68 Å²	68	59.6 Å²	59.6	32%	0.315	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	6.3	-178.3	-65.9	-85.3	0	0	0	113.9	I372 S373 D374 V400 A401 K402 L406	I372-H404 HydrophobicContact CD1-CB 4.28Å; S373-H404 PolarHBondContact O-CE1 3.4Å; D374-H404 IonicContact OD2-CD2 2.69Å; D374-H404 IonicContact OD2-CE1 3.21Å; D374-H404 IonicContact OD2-NE2 3.56Å; D374-H404 PolarHBondContact OD2-NE2 3.07Å; V400-H404 PolarHBondContact O-CD2 2.65Å; V400-H404 VanDerWaalsContact O-CD2 3.26Å; V400-H404 PolarHBondContact O-N 3.1Å; A401-H404 CarbonylContact O-C 3.56Å; A401-H404 PolarHBondContact O-N 3.25Å; K402-H404 VanDerWaalsContact C-N 3.28Å; K402-H404 PolarHBondContact O-N 3.11Å; H404-L406 HydrophobicContact CB-CD1 3.88Å; H404-L406 HydrophobicContact CB-CG 3.83Å; H404-L406 PolarHBondContact O-N 3.5Å
405	Q	94.5	Very high	93.6	Very high	179 Å²	179	59.2 Å²	59.2	84%	0.836	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	39.1	180	-62.8	153.9	43.8	0	0	113.6	A401 K402	A401-Q405 CarbonylContact O-C 3.41Å; A401-Q405 WeakPolarHBondContact O-CA 3.37Å; A401-Q405 PolarHBondContact O-N 2.97Å; K402-Q405 PolarHBondContact O-N 3.41Å
406	L	94.7	Very high	93.7	Very high	35 Å²	35	54.7 Å²	54.7	18%	0.183	27%	0.268	C	S	.	.			trans	-90	150.7	-179.2	-61.4	171.4	0	0	0	111.9	I340 A341 I372 L389 A401 H404	I340-L406 HydrophobicContact CD1-CB 3.37Å; I340-L406 HydrophobicContact CD1-CD1 3.8Å; I340-L406 HydrophobicContact CD1-CG 4.11Å; A341-L406 HydrophobicContact CB-CD1 4.06Å; I372-L406 HydrophobicContact CD1-CD1 3.82Å; L389-L406 HydrophobicContact CD2-CD1 3.58Å; A401-L406 HydrophobicContact CB-CB 4.07Å; A401-L406 PolarHBondContact O-N 3.29Å; H404-L406 HydrophobicContact CB-CD1 3.88Å; H404-L406 HydrophobicContact CB-CG 3.83Å; H404-L406 PolarHBondContact O-N 3.5Å
407	P	93.8	Very high	93.8	Very high	91 Å²	91	51 Å²	51	59%	0.591	25%	0.246	S	C	*	.			trans	-69.1	157.1	-180	29.5	-36.1	0	0	0	112.6	I340	I340-P407 WeakPolarHBondContact CD1-O 3.5Å
408	V	92.8	Very high	94	Very high	51 Å²	51	50.3 Å²	50.3	31%	0.309	24%	0.242	S	C	.	.			trans	-107	121.7	176.5	-175.6	0	0	0	0	109.9	P391 Y410 I477	P391-V408 HydrophobicContact CB-CG1 4.45Å; P391-V408 HydrophobicContact CB-CG2 4.36Å; P391-V408 HydrophobicContact CG-CG1 4.47Å; P391-V408 HydrophobicContact CG-CG2 4.5Å; V408-Y410 HydrophobicContact CG1-CE1 3.89Å; V408-Y410 HydrophobicContact CG1-CE2 4.1Å; V408-I477 HydrophobicContact CG1-CD1 3.74Å
409	K	93	Very high	94.1	Very high	43 Å²	43	50.5 Å²	50.5	19%	0.187	25%	0.248	C	C	.	.			trans	-110.5	132.6	179.4	-169.8	175.1	-173.4	177	0	110.9	I340 E367 G392	I340-K409 HydrophobicContact CG2-CB 3.84Å; E367-K409 VanDerWaalsContact CD-NZ 3.25Å; E367-K409 IonicContact OE1-NZ 2.87Å; E367-K409 PolarHBondContact OE1-NZ 3.33Å; E367-K409 IonicContact OE2-NZ 2.68Å; E367-K409 PolarHBondContact OE2-NZ 2.92Å; G392-K409 WeakPolarHBondContact CA-O 3.4Å
410	Y	91.9	Very high	94	Very high	96 Å²	96	53.3 Å²	53.3	38%	0.376	27%	0.265	S	S	.	.			trans	-110.5	138.1	177.1	-52.7	-78.8	0	0	0	110	V408 I477	V408-Y410 HydrophobicContact CG1-CE1 3.89Å; V408-Y410 HydrophobicContact CG1-CE2 4.1Å; Y410-I477 HydrophobicContact CE1-CB 3.93Å; Y410-I477 HydrophobicContact CE1-CD1 3.98Å; Y410-I477 HydrophobicContact CE1-CG1 4.31Å
411	V	95.1	Very high	93.8	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.269	C	S	.	.			trans	-130.4	-4.2	177.7	-57.8	0	0	0	0	112.5	L337 A338 H393 I418 T419 T421	L337-V411 HydrophobicContact CB-CG1 4.09Å; L337-V411 HydrophobicContact CB-CG2 4.44Å; A338-V411 HydrophobicContact CB-CB 4.42Å; A338-V411 HydrophobicContact CB-CG1 3.77Å; A338-V411 HydrophobicContact CB-CG2 3.88Å; H393-V411 PolarHBondContact NE2-N 3.44Å; H393-V411 VanDerWaalsContact NE2-N 3.18Å; V411-I418 HydrophobicContact CG2-CD1 4.18Å; V411-I418 CarbonylContact O-C 3.58Å; V411-I418 WeakPolarHBondContact O-CA 3.43Å; V411-T419 PolarHBondContact O-N 3.27Å; V411-T421 HydrophobicContact CB-CG2 4Å; V411-T421 HydrophobicContact CG1-CG2 3.81Å
412	F	95.7	Very high	93.6	Very high	9 Å²	9	57.5 Å²	57.5	4%	0.039	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-109.2	134.2	175.2	-60.1	-43.2	0	0	0	110.6	E334 T335 H393 C417 I418 R430 E474	E334-F412 HydrophobicContact CB-CZ 4.24Å; E334-F412 HydrophobicContact CG-CE1 4.26Å; E334-F412 HydrophobicContact CG-CZ 3.58Å; T335-F412 HydrophobicContact CG2-CE2 3.79Å; T335-F412 HydrophobicContact CG2-CZ 3.97Å; H393-F412 AromaticContact CE1-CD2 3.33Å; H393-F412 WeakPolarHBondContact CE1-CD2 3.34Å; H393-F412 AromaticContact CE1-CE2 3.99Å; H393-F412 AromaticContact CE1-CG 3.82Å; H393-F412 AromaticContact ND1-CD2 3.18Å; H393-F412 WeakPolarHBondContact ND1-CD2 3.33Å; H393-F412 AromaticContact ND1-CE2 3.64Å; F412-C417 VanDerWaalsContact CA-O 3.3Å; F412-C417 WeakPolarHBondContact CA-O 3.38Å; F412-I418 HydrophobicContact CD1-CD1 3.76Å; F412-I418 HydrophobicContact CE1-CD1 3.36Å; F412-I418 HydrophobicContact CE1-CG1 4.42Å; F412-I418 HydrophobicContact CZ-CD1 4.44Å; F412-R430 HydrophobicContact CD1-CB 4.16Å; F412-R430 HydrophobicContact CE1-CB 3.54Å; F412-R430 HydrophobicContact CZ-CB 3.92Å; F412-E474 HydrophobicContact CD2-CG 4.11Å
413	D	94.1	Very high	93.7	Very high	56 Å²	56	52.8 Å²	52.8	30%	0.299	29%	0.288	S	S	.	.			trans	-76.7	-178.7	163.3	72.9	14.3	0	0	0	111.6	S415 G416 C417 T419	D413-S415 PolarHBondContact O-N 3.12Å; D413-S415 WeakPolarHBondContact OD1-CA 3.41Å; D413-S415 WeakPolarHBondContact OD1-CB 3.35Å; D413-S415 PolarHBondContact OD1-N 3.33Å; D413-S415 PolarHBondContact OD1-OG 3.09Å; D413-S415 PolarHBondContact OD2-OG 2.98Å; D413-G416 PolarHBondContact O-N 3.33Å; D413-G416 PolarHBondContact OD1-N 3.12Å; D413-C417 PolarHBondContact N-O 3.17Å; D413-C417 PolarHBondContact OD1-N 2.87Å; D413-T419 HydrophobicContact CB-CG2 3.98Å
414	N	92.8	Very high	93.7	Very high	64 Å²	64	53.1 Å²	53.1	34%	0.342	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.2	179.7	-71.7	-9.8	0	0	0	113.9	W260 C262 Q265 K478	W260-N414 HydrophobicContact CZ2-CB 3.86Å; W260-N414 PolarHBondContact NE1-O 3.03Å; C262-N414 WeakPolarHBondContact CA-O 3.4Å; Q265-N414 HydrophobicContact CG-CB 4.47Å; N414-K478 WeakPolarHBondContact OD1-CE 3.36Å; N414-K478 PolarHBondContact OD1-NZ 3.26Å
415	S	92.4	Very high	93.7	Very high	23 Å²	23	49.9 Å²	49.9	16%	0.161	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-4.5	179.3	74.5	0	0	0	0	113.3	C262 D413 C417	C262-S415 WeakPolarHBondContact CB-O 3.29Å; D413-S415 PolarHBondContact O-N 3.12Å; D413-S415 WeakPolarHBondContact OD1-CA 3.41Å; D413-S415 WeakPolarHBondContact OD1-CB 3.35Å; D413-S415 PolarHBondContact OD1-N 3.33Å; D413-S415 PolarHBondContact OD1-OG 3.09Å; D413-S415 PolarHBondContact OD2-OG 2.98Å; S415-C417 PolarHBondContact OG-SG 3.42Å
416	G	94	Very high	93.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	79.4	20.2	-176.2	0	0	0	0	0	113.4	D413 R430	D413-G416 PolarHBondContact O-N 3.33Å; D413-G416 PolarHBondContact OD1-N 3.12Å; G416-R430 VanDerWaalsContact O-CB 3.26Å; G416-R430 WeakPolarHBondContact O-CB 3.38Å; G416-R430 WeakPolarHBondContact O-CG 3.22Å; G416-R430 PolarHBondContact O-N 2.97Å
417	C	95	Very high	93.7	Very high	3 Å²	3	44 Å²	44	2%	0.02	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-87.1	147.3	170.2	-72.6	0	0	0	0	110.8	F182 F412 D413 S415 T419 L428	F182-C417 WeakPolarHBondContact CE2-SG 3.44Å; F412-C417 VanDerWaalsContact CA-O 3.3Å; F412-C417 WeakPolarHBondContact CA-O 3.38Å; D413-C417 PolarHBondContact N-O 3.17Å; D413-C417 PolarHBondContact OD1-N 2.87Å; S415-C417 PolarHBondContact OG-SG 3.42Å; C417-T419 PolarHBondContact O-N 2.89Å; C417-L428 CarbonylContact C-O 3.59Å; C417-L428 WeakPolarHBondContact CA-O 3.46Å
418	I	97.3	Very high	93.8	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-64.9	132.8	173.5	-59.9	-69.9	0	0	0	109.6	L337 V411 F412 T421 F425 G427 L428 A433	L337-I418 HydrophobicContact CD1-CD1 3.98Å; L337-I418 HydrophobicContact CD1-CG1 4.49Å; L337-I418 HydrophobicContact CD1-CG2 4.16Å; V411-I418 HydrophobicContact CG2-CD1 4.18Å; V411-I418 CarbonylContact O-C 3.58Å; V411-I418 WeakPolarHBondContact O-CA 3.43Å; F412-I418 HydrophobicContact CD1-CD1 3.76Å; F412-I418 HydrophobicContact CE1-CD1 3.36Å; F412-I418 HydrophobicContact CE1-CG1 4.42Å; F412-I418 HydrophobicContact CZ-CD1 4.44Å; I418-T421 HydrophobicContact CG2-CG2 3.58Å; I418-F425 VanDerWaalsContact CB-O 3.28Å; I418-F425 WeakPolarHBondContact CB-O 3.46Å; I418-F425 HydrophobicContact CG2-CB 4.08Å; I418-G427 PolarHBondContact O-N 3.03Å; I418-L428 PolarHBondContact N-O 3.19Å; I418-A433 HydrophobicContact CD1-CB 4.19Å; I418-A433 HydrophobicContact CG1-CB 3.59Å
419	T	95.1	Very high	93.9	Very high	42 Å²	42	39 Å²	39	26%	0.258	23%	0.227	S	C	.	.			trans	-146.5	158.3	178.7	-168.2	0	0	0	0	111.7	V411 D413 C417 T421 D426	V411-T419 PolarHBondContact O-N 3.27Å; D413-T419 HydrophobicContact CB-CG2 3.98Å; C417-T419 PolarHBondContact O-N 2.89Å; T419-T421 PolarHBondContact O-N 3.49Å; T419-D426 VanDerWaalsContact C-OD1 3.31Å; T419-D426 WeakPolarHBondContact CA-OD1 3.4Å
420	N	90.1	Very high	94	Very high	139 Å²	139	37.1 Å²	37.1	74%	0.743	22%	0.219	S	C	*	.	S	Bend	trans	55.9	29.9	175	-57.8	-31.9	0	0	0	114.3	D426	N420-D426 PolarHBondContact N-OD1 2.95Å
421	T	91.8	Very high	94.2	Very high	14 Å²	14	32.8 Å²	32.8	9%	0.086	20%	0.202	C	C	.	.	S	Bend	trans	-95.4	-27.4	175.6	68.4	0	0	0	0	112.4	L337 Y364 V411 I418 T419 T423 D426	L337-T421 HydrophobicContact CB-CG2 4.37Å; L337-T421 HydrophobicContact CD1-CG2 4.49Å; Y364-T421 VanDerWaalsContact CE1-O 3.26Å; Y364-T421 WeakPolarHBondContact CE1-O 3.47Å; Y364-T421 VanDerWaalsContact OH-CB 3.28Å; Y364-T421 WeakPolarHBondContact OH-CB 3.24Å; Y364-T421 WeakPolarHBondContact OH-CG2 3.41Å; V411-T421 HydrophobicContact CB-CG2 4Å; V411-T421 HydrophobicContact CG1-CG2 3.81Å; I418-T421 HydrophobicContact CG2-CG2 3.58Å; T419-T421 PolarHBondContact O-N 3.49Å; T421-T423 PolarHBondContact O-N 3.13Å; T421-T423 PolarHBondContact OG1-N 2.97Å; T421-T423 PolarHBondContact OG1-OG1 3.38Å; T421-D426 WeakPolarHBondContact CB-OD1 3.37Å; T421-D426 PolarHBondContact N-OD1 3.2Å; T421-D426 PolarHBondContact N-OD2 3.45Å; T421-D426 PolarHBondContact OG1-OD1 3.05Å; T421-D426 PolarHBondContact OG1-OD2 3.21Å
422	G	90.3	Very high	94.3	Very high	75 Å²	75	35.5 Å²	35.5	77%	0.773	22%	0.216	S	C	*	.			trans	69.2	21.5	-172	0	0	0	0	0	112.9	D426	G422-D426 WeakPolarHBondContact CA-OD2 3.47Å; G422-D426 PolarHBondContact N-OD2 2.88Å
423	T	93.1	Very high	94.3	Very high	26 Å²	26	35.1 Å²	35.1	16%	0.16	21%	0.214	C	C	.	.	S	Bend	trans	-114.2	172.3	-177.4	69.9	0	0	0	0	111.3	F363 Y364 T421 F425 D426	F363-T423 HydrophobicContact CB-CG2 4.35Å; Y364-T423 HydrophobicContact CD1-CG2 4.1Å; Y364-T423 HydrophobicContact CE1-CG2 3.48Å; Y364-T423 VanDerWaalsContact CE1-CG2 3.48Å; T421-T423 PolarHBondContact O-N 3.13Å; T421-T423 PolarHBondContact OG1-N 2.97Å; T421-T423 PolarHBondContact OG1-OG1 3.38Å; T423-F425 PolarHBondContact O-N 2.96Å; T423-F425 WeakPolarHBondContact OG1-CD2 3.44Å; T423-F425 PolarHBondContact OG1-N 3.49Å; T423-D426 PolarHBondContact O-N 3.3Å
424	E	94.1	Very high	94.5	Very high	100 Å²	100	33.3 Å²	33.3	47%	0.467	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-10.6	172.4	69	172	125.3	0	0	114	R436 Q440	E424-R436 IonicContact OE2-NH1 2.83Å; E424-Q440 VanDerWaalsContact CD-NE2 3.32Å; E424-Q440 WeakPolarHBondContact OE1-CG 3.44Å; E424-Q440 PolarHBondContact OE1-NE2 3.09Å; E424-Q440 PolarHBondContact OE2-NE2 3.39Å
425	F	96.5	Very high	94.6	Very high	1 Å²	1	35 Å²	35	0%	0.004	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-16.5	-178.6	-51.4	-73.6	0	0	0	112.9	L337 F363 I418 T423 G427 L428 R436 L437 Q440	L337-F425 HydrophobicContact CD1-CB 3.91Å; L337-F425 HydrophobicContact CD1-CD2 3.82Å; L337-F425 HydrophobicContact CD1-CG 4Å; L337-F425 HydrophobicContact CD2-CD2 3.86Å; L337-F425 HydrophobicContact CD2-CE2 4.12Å; L337-F425 HydrophobicContact CG-CD2 4.49Å; F363-F425 HydrophobicContact CB-CE2 4.29Å; F363-F425 AromaticContact CD1-CE2 3.64Å; F363-F425 HydrophobicContact CD1-CE2 3.64Å; F363-F425 AromaticContact CD1-CZ 3.96Å; F363-F425 HydrophobicContact CD1-CZ 3.96Å; F363-F425 HydrophobicContact CD2-CE2 4.01Å; F363-F425 HydrophobicContact CD2-CZ 4.45Å; F363-F425 AromaticContact CE1-CE2 3.9Å; F363-F425 HydrophobicContact CE1-CE2 3.9Å; F363-F425 AromaticContact CE1-CZ 3.71Å; F363-F425 HydrophobicContact CE1-CZ 3.71Å; F363-F425 HydrophobicContact CE2-CE2 4.25Å; F363-F425 HydrophobicContact CE2-CZ 4.23Å; F363-F425 AromaticContact CG-CE2 3.7Å; F363-F425 HydrophobicContact CG-CE2 3.7Å; F363-F425 HydrophobicContact CG-CZ 4.33Å; F363-F425 HydrophobicContact CZ-CE2 4.19Å; F363-F425 AromaticContact CZ-CZ 3.85Å; F363-F425 HydrophobicContact CZ-CZ 3.85Å; I418-F425 VanDerWaalsContact CB-O 3.28Å; I418-F425 WeakPolarHBondContact CB-O 3.46Å; I418-F425 HydrophobicContact CG2-CB 4.08Å; T423-F425 PolarHBondContact O-N 2.96Å; T423-F425 WeakPolarHBondContact OG1-CD2 3.44Å; T423-F425 PolarHBondContact OG1-N 3.49Å; F425-G427 PolarHBondContact O-N 3.29Å; F425-L428 HydrophobicContact CD1-CD1 4.35Å; F425-L428 VanDerWaalsContact O-CB 3.23Å; F425-L428 WeakPolarHBondContact O-CB 3.39Å; F425-L428 WeakPolarHBondContact O-CG 3.45Å; F425-L428 PolarHBondContact O-N 3.3Å; F425-R436 HydrophobicContact CD1-CB 4.27Å; F425-R436 HydrophobicContact CD1-CG 3.95Å; F425-R436 HydrophobicContact CE1-CB 4.12Å; F425-R436 HydrophobicContact CE1-CG 3.65Å; F425-L437 HydrophobicContact CD1-CD2 4.27Å; F425-L437 HydrophobicContact CD1-CG 4.11Å; F425-L437 HydrophobicContact CD2-CD2 4.2Å; F425-L437 HydrophobicContact CE1-CB 4.47Å; F425-L437 HydrophobicContact CE1-CD2 3.64Å; F425-L437 HydrophobicContact CE1-CG 3.67Å; F425-L437 HydrophobicContact CE2-CD2 3.63Å; F425-L437 HydrophobicContact CE2-CG 4.49Å; F425-L437 HydrophobicContact CZ-CD2 3.33Å; F425-L437 HydrophobicContact CZ-CG 3.94Å; F425-Q440 HydrophobicContact CE1-CG 4.24Å; F425-Q440 HydrophobicContact CZ-CB 4.3Å; F425-Q440 HydrophobicContact CZ-CG 4.08Å
426	D	95.5	Very high	94.8	Very high	61 Å²	61	37.1 Å²	37.1	33%	0.326	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	135.2	179.4	-79.9	-22.4	0	0	0	111.4	T419 N420 T421 G422 T423 L428	T419-D426 VanDerWaalsContact C-OD1 3.31Å; T419-D426 WeakPolarHBondContact CA-OD1 3.4Å; N420-D426 PolarHBondContact N-OD1 2.95Å; T421-D426 WeakPolarHBondContact CB-OD1 3.37Å; T421-D426 PolarHBondContact N-OD1 3.2Å; T421-D426 PolarHBondContact N-OD2 3.45Å; T421-D426 PolarHBondContact OG1-OD1 3.05Å; T421-D426 PolarHBondContact OG1-OD2 3.21Å; G422-D426 WeakPolarHBondContact CA-OD2 3.47Å; G422-D426 PolarHBondContact N-OD2 2.88Å; T423-D426 PolarHBondContact O-N 3.3Å; D426-L428 VanDerWaalsContact C-N 3.28Å; D426-L428 PolarHBondContact O-N 2.9Å
427	G	93.9	Very high	95	Very high	30 Å²	30	37.1 Å²	37.1	31%	0.309	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	-6.3	-174.3	0	0	0	0	0	114.9	C180 I418 F425	C180-G427 PolarHBondContact SG-O 2.76Å; I418-G427 PolarHBondContact O-N 3.03Å; F425-G427 PolarHBondContact O-N 3.29Å
428	L	95.4	Very high	95.1	Very high	17 Å²	17	38.1 Å²	38.1	9%	0.089	22%	0.219	C	C	.	.			trans	-80.8	138.1	176.6	-61.9	-177.2	0	0	0	111.7	C417 I418 F425 D426 A433 R436	C417-L428 CarbonylContact C-O 3.59Å; C417-L428 WeakPolarHBondContact CA-O 3.46Å; I418-L428 PolarHBondContact N-O 3.19Å; F425-L428 HydrophobicContact CD1-CD1 4.35Å; F425-L428 VanDerWaalsContact O-CB 3.23Å; F425-L428 WeakPolarHBondContact O-CB 3.39Å; F425-L428 WeakPolarHBondContact O-CG 3.45Å; F425-L428 PolarHBondContact O-N 3.3Å; D426-L428 VanDerWaalsContact C-N 3.28Å; D426-L428 PolarHBondContact O-N 2.9Å; L428-A433 HydrophobicContact CB-CB 4.08Å; L428-R436 HydrophobicContact CD1-CB 4.31Å; L428-R436 HydrophobicContact CD1-CG 4.37Å
429	P	94.7	Very high	95.1	Very high	20 Å²	20	42.7 Å²	42.7	13%	0.13	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-59.8	139.7	169.2	-19.6	29.3	0	0	0	111.2	F182 Y289 F431 I432 A433	F182-P429 HydrophobicContact CE2-CB 3.96Å; F182-P429 HydrophobicContact CE2-CG 3.77Å; F182-P429 HydrophobicContact CZ-CB 4.04Å; F182-P429 HydrophobicContact CZ-CG 4.29Å; Y289-P429 HydrophobicContact CE1-CB 3.76Å; Y289-P429 WeakPolarHBondContact OH-CB 3.35Å; P429-F431 VanDerWaalsContact C-N 3.25Å; P429-F431 PolarHBondContact O-N 3.26Å; P429-I432 HydrophobicContact CB-CB 4.45Å; P429-I432 HydrophobicContact CB-CG1 4.15Å; P429-I432 HydrophobicContact CG-CG1 4.14Å; P429-I432 CarbonylContact O-C 3.26Å; P429-I432 WeakPolarHBondContact O-CA 3.38Å; P429-I432 WeakPolarHBondContact O-CB 3.47Å; P429-I432 PolarHBondContact O-N 2.8Å; P429-A433 PolarHBondContact O-N 3.47Å
430	R	95.4	Very high	95.3	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-45.8	-40.1	-174	59.3	176.9	177.9	-146	-6.6	115.5	C262 Y289 E334 F412 G416 R434 D471 I472 E474	C262-R430 PolarHBondContact SG-NH1 3.22Å; Y289-R430 WeakPolarHBondContact OH-CG 3.01Å; E334-R430 WeakPolarHBondContact CB-O 3.14Å; E334-R430 HydrophobicContact CG-CB 4.3Å; F412-R430 HydrophobicContact CD1-CB 4.16Å; F412-R430 HydrophobicContact CE1-CB 3.54Å; F412-R430 HydrophobicContact CZ-CB 3.92Å; G416-R430 VanDerWaalsContact O-CB 3.26Å; G416-R430 WeakPolarHBondContact O-CB 3.38Å; G416-R430 WeakPolarHBondContact O-CG 3.22Å; G416-R430 PolarHBondContact O-N 2.97Å; R430-R434 PolarHBondContact O-N 3.37Å; R430-D471 VanDerWaalsContact NH2-CG 3.29Å; R430-D471 IonicContact NH2-OD1 3.97Å; R430-D471 PolarHBondContact NH2-OD1 3.22Å; R430-D471 IonicContact NH2-OD2 3.8Å; R430-D471 PolarHBondContact NH2-OD2 3.05Å; R430-I472 PolarHBondContact NH2-O 3.44Å; R430-E474 IonicContact CZ-OE2 2.79Å; R430-E474 IonicContact NH1-OE2 3.18Å; R430-E474 PolarHBondContact NH1-OE2 3.28Å; R430-E474 VanDerWaalsContact NH1-OE2 3.07Å
431	F	96.5	Very high	95.6	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.026	20%	0.2	C	C	.	.	H	α-helix	trans	-82.7	-24.5	-178.5	-56.5	-50	0	0	0	113.3	V286 Y289 V293 F295 P429 Q435 I472	V286-F431 HydrophobicContact CG1-CD2 4.4Å; V286-F431 HydrophobicContact CG1-CE2 3.97Å; V286-F431 HydrophobicContact CG2-CE2 4.39Å; Y289-F431 HydrophobicContact CD1-CB 4.41Å; Y289-F431 HydrophobicContact CD2-CD2 4.35Å; Y289-F431 HydrophobicContact CE1-CB 3.71Å; Y289-F431 AromaticContact CE1-CD2 3.86Å; Y289-F431 HydrophobicContact CE1-CD2 3.86Å; Y289-F431 HydrophobicContact CE1-CG 4.26Å; Y289-F431 AromaticContact CE2-CD2 3.65Å; Y289-F431 HydrophobicContact CE2-CD2 3.65Å; Y289-F431 HydrophobicContact CE2-CE2 4.17Å; Y289-F431 AromaticContact CZ-CD2 3.37Å; Y289-F431 WeakPolarHBondContact OH-CD2 3.25Å; V293-F431 HydrophobicContact CB-CD2 4.48Å; V293-F431 HydrophobicContact CG1-CB 3.69Å; V293-F431 HydrophobicContact CG1-CD1 4Å; V293-F431 HydrophobicContact CG1-CD2 3.92Å; V293-F431 HydrophobicContact CG1-CG 3.6Å; V293-F431 HydrophobicContact CG2-CB 4.12Å; V293-F431 HydrophobicContact CG2-CD2 4.02Å; V293-F431 HydrophobicContact CG2-CG 4.3Å; F295-F431 HydrophobicContact CE1-CD1 4.4Å; F295-F431 AromaticContact CE1-CE1 3.72Å; F295-F431 HydrophobicContact CE1-CE1 3.72Å; F295-F431 AromaticContact CE1-CZ 3.86Å; F295-F431 HydrophobicContact CE1-CZ 3.86Å; F295-F431 HydrophobicContact CZ-CD1 4.43Å; F295-F431 AromaticContact CZ-CE1 3.93Å; F295-F431 HydrophobicContact CZ-CE1 3.93Å; F295-F431 HydrophobicContact CZ-CE2 4.08Å; F295-F431 AromaticContact CZ-CZ 3.74Å; F295-F431 HydrophobicContact CZ-CZ 3.74Å; P429-F431 VanDerWaalsContact C-N 3.25Å; P429-F431 PolarHBondContact O-N 3.26Å; F431-Q435 PolarHBondContact O-N 3.23Å; F431-I472 HydrophobicContact CE2-CG1 4.36Å; F431-I472 HydrophobicContact CZ-CB 4.03Å; F431-I472 HydrophobicContact CZ-CG1 4.02Å
432	I	96.1	Very high	95.9	Very high	57 Å²	57	38.6 Å²	38.6	29%	0.292	22%	0.219	S	C	.	.	H	α-helix	trans	-74.5	-41.2	168.8	-57	-56.4	0	0	0	109.6	Y289 P429 R434 Q435 R436	Y289-I432 HydrophobicContact CD1-CD1 4.39Å; Y289-I432 HydrophobicContact CD1-CG1 4.4Å; Y289-I432 HydrophobicContact CE1-CG1 4.18Å; P429-I432 HydrophobicContact CB-CB 4.45Å; P429-I432 HydrophobicContact CB-CG1 4.15Å; P429-I432 HydrophobicContact CG-CG1 4.14Å; P429-I432 CarbonylContact O-C 3.26Å; P429-I432 WeakPolarHBondContact O-CA 3.38Å; P429-I432 WeakPolarHBondContact O-CB 3.47Å; P429-I432 PolarHBondContact O-N 2.8Å; I432-R434 VanDerWaalsContact C-N 3.29Å; I432-R434 PolarHBondContact O-N 2.79Å; I432-Q435 PolarHBondContact O-N 2.64Å; I432-Q435 VanDerWaalsContact O-N 3.13Å; I432-R436 PolarHBondContact O-N 3.46Å
433	A	96.4	Very high	96.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.7	-42.5	172.8	0	0	0	0	0	111.2	I418 L428 P429 Q435 R436 L437	I418-A433 HydrophobicContact CD1-CB 4.19Å; I418-A433 HydrophobicContact CG1-CB 3.59Å; L428-A433 HydrophobicContact CB-CB 4.08Å; P429-A433 PolarHBondContact O-N 3.47Å; A433-Q435 PolarHBondContact O-N 3.25Å; A433-R436 PolarHBondContact O-N 3.06Å; A433-L437 WeakPolarHBondContact O-CB 3.42Å; A433-L437 WeakPolarHBondContact O-CD1 3.48Å; A433-L437 VanDerWaalsContact O-CG 3.26Å; A433-L437 WeakPolarHBondContact O-CG 3.39Å; A433-L437 PolarHBondContact O-N 3.29Å
434	R	97.1	Very high	96.2	Very high	19 Å²	19	44.6 Å²	44.6	7%	0.072	23%	0.225	C	C	.	.	H	α-helix	trans	-53	-50.1	171.9	-175.1	-171.3	-67.3	172.9	-4	112.1	E294 L333 E334 R430 I432 L437 V438	E294-R434 PolarHBondContact O-NH1 3.42Å; L333-R434 HydrophobicContact CB-CG 4.18Å; E334-R434 HydrophobicContact CB-CB 4.21Å; E334-R434 VanDerWaalsContact CD-NH2 3.28Å; E334-R434 IonicContact OE1-CZ 3.74Å; E334-R434 IonicContact OE1-NE 3.53Å; E334-R434 IonicContact OE1-NH2 3.33Å; E334-R434 PolarHBondContact OE1-NH2 2.78Å; E334-R434 IonicContact OE2-CZ 2.62Å; E334-R434 IonicContact OE2-NE 3.99Å; E334-R434 PolarHBondContact OE2-NE 3.14Å; E334-R434 IonicContact OE2-NH2 3.57Å; E334-R434 PolarHBondContact OE2-NH2 3.29Å; E334-R434 VanDerWaalsContact OE2-NH2 3.15Å; R430-R434 PolarHBondContact O-N 3.37Å; I432-R434 VanDerWaalsContact C-N 3.29Å; I432-R434 PolarHBondContact O-N 2.79Å; R434-L437 PolarHBondContact O-N 2.91Å; R434-V438 WeakPolarHBondContact O-CG2 3.39Å; R434-V438 PolarHBondContact O-N 3.03Å
435	Q	96.3	Very high	96.3	Very high	98 Å²	98	42 Å²	42	46%	0.458	22%	0.224	S	C	.	.	H	α-helix	trans	-63.6	-45.4	179.4	-68.1	174.3	-0.7	0	0	111.5	F431 I432 A433 L437 V438 E439	F431-Q435 PolarHBondContact O-N 3.23Å; I432-Q435 PolarHBondContact O-N 2.64Å; I432-Q435 VanDerWaalsContact O-N 3.13Å; A433-Q435 PolarHBondContact O-N 3.25Å; Q435-L437 VanDerWaalsContact C-N 3.31Å; Q435-L437 PolarHBondContact O-N 2.81Å; Q435-V438 WeakPolarHBondContact O-CB 3.32Å; Q435-V438 PolarHBondContact O-N 3.14Å; Q435-E439 PolarHBondContact O-N 3.15Å
436	R	96.9	Very high	96.2	Very high	68 Å²	68	42.2 Å²	42.2	26%	0.257	23%	0.226	S	C	.	.	H	α-helix	trans	-63.2	-36.7	177.4	-175	59	64.3	72.8	7	112.2	E424 F425 L428 I432 A433 E439 Q440	E424-R436 IonicContact OE2-NH1 2.83Å; F425-R436 HydrophobicContact CD1-CB 4.27Å; F425-R436 HydrophobicContact CD1-CG 3.95Å; F425-R436 HydrophobicContact CE1-CB 4.12Å; F425-R436 HydrophobicContact CE1-CG 3.65Å; L428-R436 HydrophobicContact CD1-CB 4.31Å; L428-R436 HydrophobicContact CD1-CG 4.37Å; I432-R436 PolarHBondContact O-N 3.46Å; A433-R436 PolarHBondContact O-N 3.06Å; R436-E439 WeakPolarHBondContact CD-OE2 3.47Å; R436-E439 IonicContact NE-OE2 3.9Å; R436-E439 PolarHBondContact NE-OE2 2.87Å; R436-E439 WeakPolarHBondContact O-CB 3.37Å; R436-E439 PolarHBondContact O-N 2.99Å; R436-Q440 HydrophobicContact CG-CG 4.3Å; R436-Q440 WeakPolarHBondContact O-CG 3.46Å; R436-Q440 PolarHBondContact O-N 3.31Å
437	L	97.7	Very high	96.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-40.4	175.9	-79.1	162.6	0	0	0	111.8	L333 E334 M336 L337 F363 F425 A433 R434 Q435 E439 Q440 L441	L333-L437 HydrophobicContact CD2-CB 3.85Å; L333-L437 HydrophobicContact CG-CB 4.11Å; E334-L437 HydrophobicContact CB-CD1 4.44Å; M336-L437 HydrophobicContact CG-CD1 4.34Å; M336-L437 HydrophobicContact CG-CD2 4.25Å; M336-L437 HydrophobicContact SD-CD2 3.98Å; L337-L437 HydrophobicContact CD1-CD1 4.31Å; L337-L437 HydrophobicContact CD2-CD2 4.21Å; L337-L437 HydrophobicContact CG-CD1 4.44Å; L337-L437 HydrophobicContact CG-CD2 4.4Å; F363-L437 HydrophobicContact CD2-CD2 3.87Å; F363-L437 HydrophobicContact CE2-CD2 3.33Å; F363-L437 HydrophobicContact CZ-CD2 3.84Å; F425-L437 HydrophobicContact CD1-CD2 4.27Å; F425-L437 HydrophobicContact CD1-CG 4.11Å; F425-L437 HydrophobicContact CD2-CD2 4.2Å; F425-L437 HydrophobicContact CE1-CB 4.47Å; F425-L437 HydrophobicContact CE1-CD2 3.64Å; F425-L437 HydrophobicContact CE1-CG 3.67Å; F425-L437 HydrophobicContact CE2-CD2 3.63Å; F425-L437 HydrophobicContact CE2-CG 4.49Å; F425-L437 HydrophobicContact CZ-CD2 3.33Å; F425-L437 HydrophobicContact CZ-CG 3.94Å; A433-L437 WeakPolarHBondContact O-CB 3.42Å; A433-L437 WeakPolarHBondContact O-CD1 3.48Å; A433-L437 VanDerWaalsContact O-CG 3.26Å; A433-L437 WeakPolarHBondContact O-CG 3.39Å; A433-L437 PolarHBondContact O-N 3.29Å; R434-L437 PolarHBondContact O-N 2.91Å; Q435-L437 VanDerWaalsContact C-N 3.31Å; Q435-L437 PolarHBondContact O-N 2.81Å; L437-E439 VanDerWaalsContact C-N 3.34Å; L437-E439 PolarHBondContact O-N 3.44Å; L437-Q440 PolarHBondContact O-N 3.24Å; L437-L441 VanDerWaalsContact O-CB 3.31Å; L437-L441 WeakPolarHBondContact O-CB 3.29Å; L437-L441 VanDerWaalsContact O-CG 3.28Å; L437-L441 WeakPolarHBondContact O-CG 3.01Å; L437-L441 PolarHBondContact O-N 3.07Å
438	V	97.3	Very high	96.4	Very high	24 Å²	24	43.8 Å²	43.8	15%	0.145	22%	0.22	C	C	.	.	H	α-helix	trans	-59.5	-46.6	173.2	174.6	0	0	0	0	110.7	L333 R434 Q435 Q440 T442 Y447	L333-V438 HydrophobicContact CD2-CB 4.48Å; L333-V438 HydrophobicContact CD2-CG2 3.5Å; R434-V438 WeakPolarHBondContact O-CG2 3.39Å; R434-V438 PolarHBondContact O-N 3.03Å; Q435-V438 WeakPolarHBondContact O-CB 3.32Å; Q435-V438 PolarHBondContact O-N 3.14Å; V438-Q440 PolarHBondContact O-N 3.32Å; V438-T442 VanDerWaalsContact O-CB 3.31Å; V438-T442 WeakPolarHBondContact O-CB 3.37Å; V438-T442 PolarHBondContact O-N 3.2Å; V438-T442 PolarHBondContact O-OG1 3.1Å; V438-Y447 HydrophobicContact CB-CE2 4.34Å; V438-Y447 HydrophobicContact CG1-CD2 4.25Å; V438-Y447 HydrophobicContact CG1-CE1 4.15Å; V438-Y447 HydrophobicContact CG1-CE2 3.82Å; V438-Y447 HydrophobicContact CG2-CE2 3.99Å
439	E	97.6	Very high	96.3	Very high	98 Å²	98	49 Å²	49	46%	0.458	24%	0.239	S	C	.	.	H	α-helix	trans	-59.8	-46.9	178.1	-66	170.4	179.1	0	0	111.7	Q435 R436 L437 T442 K443	Q435-E439 PolarHBondContact O-N 3.15Å; R436-E439 WeakPolarHBondContact CD-OE2 3.47Å; R436-E439 IonicContact NE-OE2 3.9Å; R436-E439 PolarHBondContact NE-OE2 2.87Å; R436-E439 WeakPolarHBondContact O-CB 3.37Å; R436-E439 PolarHBondContact O-N 2.99Å; L437-E439 VanDerWaalsContact C-N 3.34Å; L437-E439 PolarHBondContact O-N 3.44Å; E439-T442 PolarHBondContact O-N 3.37Å; E439-K443 WeakPolarHBondContact O-CG 3.34Å; E439-K443 PolarHBondContact O-N 3.28Å
440	Q	97.6	Very high	96.3	Very high	30 Å²	30	52.5 Å²	52.5	14%	0.14	25%	0.25	C	C	.	.	H	α-helix	trans	-71.7	-42.2	-177.5	-64.3	-62.6	2.9	0	0	112.5	F363 E424 F425 R436 L437 V438 T442 K443 L444	F363-Q440 HydrophobicContact CE1-CB 3.73Å; F363-Q440 HydrophobicContact CZ-CB 3.84Å; E424-Q440 VanDerWaalsContact CD-NE2 3.32Å; E424-Q440 WeakPolarHBondContact OE1-CG 3.44Å; E424-Q440 PolarHBondContact OE1-NE2 3.09Å; E424-Q440 PolarHBondContact OE2-NE2 3.39Å; F425-Q440 HydrophobicContact CE1-CG 4.24Å; F425-Q440 HydrophobicContact CZ-CB 4.3Å; F425-Q440 HydrophobicContact CZ-CG 4.08Å; R436-Q440 HydrophobicContact CG-CG 4.3Å; R436-Q440 WeakPolarHBondContact O-CG 3.46Å; R436-Q440 PolarHBondContact O-N 3.31Å; L437-Q440 PolarHBondContact O-N 3.24Å; V438-Q440 PolarHBondContact O-N 3.32Å; Q440-T442 PolarHBondContact O-N 3.08Å; Q440-K443 PolarHBondContact O-N 3.04Å; Q440-L444 WeakPolarHBondContact O-CG 3.2Å; Q440-L444 PolarHBondContact O-N 3.46Å
441	L	97.2	Very high	96.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63	-33	174.2	-71.5	171.5	0	0	0	111.9	F301 L333 M336 P362 F363 L437 L444 G445 L446 Y447	F301-L441 HydrophobicContact CB-CD1 3.96Å; F301-L441 HydrophobicContact CD2-CD1 3.98Å; F301-L441 HydrophobicContact CD2-CD2 4.43Å; F301-L441 HydrophobicContact CG-CD1 4.01Å; L333-L441 HydrophobicContact CD1-CD1 3.88Å; L333-L441 HydrophobicContact CD2-CD1 4.12Å; L333-L441 HydrophobicContact CG-CD1 4.43Å; M336-L441 HydrophobicContact SD-CD1 3.92Å; M336-L441 HydrophobicContact SD-CD2 4.5Å; P362-L441 HydrophobicContact CB-CD2 4.06Å; P362-L441 HydrophobicContact CG-CD2 4.09Å; F363-L441 HydrophobicContact CE2-CD2 3.83Å; F363-L441 HydrophobicContact CE2-CG 4.07Å; F363-L441 HydrophobicContact CZ-CD2 3.89Å; F363-L441 HydrophobicContact CZ-CG 3.95Å; L437-L441 VanDerWaalsContact O-CB 3.31Å; L437-L441 WeakPolarHBondContact O-CB 3.29Å; L437-L441 VanDerWaalsContact O-CG 3.28Å; L437-L441 WeakPolarHBondContact O-CG 3.01Å; L437-L441 PolarHBondContact O-N 3.07Å; L441-L444 PolarHBondContact O-N 3.28Å; L441-G445 PolarHBondContact O-N 2.93Å; L441-L446 HydrophobicContact CD2-CB 4.06Å; L441-L446 HydrophobicContact CD2-CD1 4.35Å; L441-L446 PolarHBondContact O-N 3.48Å; L441-Y447 HydrophobicContact CB-CD2 4.47Å; L441-Y447 PolarHBondContact O-N 3.05Å
442	T	97.5	Very high	96.2	Very high	79 Å²	79	57 Å²	57	49%	0.485	27%	0.273	S	S	.	.	H	α-helix	trans	-65.8	-45	174	-58.9	0	0	0	0	110.9	V438 E439 Q440 L444 G445	V438-T442 VanDerWaalsContact O-CB 3.31Å; V438-T442 WeakPolarHBondContact O-CB 3.37Å; V438-T442 PolarHBondContact O-N 3.2Å; V438-T442 PolarHBondContact O-OG1 3.1Å; E439-T442 PolarHBondContact O-N 3.37Å; Q440-T442 PolarHBondContact O-N 3.08Å; T442-L444 VanDerWaalsContact C-N 3.29Å; T442-L444 PolarHBondContact O-N 3.01Å; T442-G445 PolarHBondContact O-N 2.64Å
443	K	96.7	Very high	95.9	Very high	150 Å²	150	55.2 Å²	55.2	65%	0.652	26%	0.264	S	S	*	.	H	α-helix	trans	-61.7	-35.6	175	-70.3	170.4	-171.8	169.8	0	112.7	E439 Q440 G445	E439-K443 WeakPolarHBondContact O-CG 3.34Å; E439-K443 PolarHBondContact O-N 3.28Å; Q440-K443 PolarHBondContact O-N 3.04Å; K443-G445 PolarHBondContact O-N 3.26Å
444	L	94.5	Very high	95.4	Very high	76 Å²	76	56.5 Å²	56.5	40%	0.398	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-6.5	175.8	-66.6	173.8	0	0	0	113.6	P362 F363 Q440 L441 T442 L446	P362-L444 HydrophobicContact CB-CD1 4.15Å; F363-L444 HydrophobicContact CE1-CD1 3.94Å; F363-L444 HydrophobicContact CZ-CD1 4.28Å; Q440-L444 WeakPolarHBondContact O-CG 3.2Å; Q440-L444 PolarHBondContact O-N 3.46Å; L441-L444 PolarHBondContact O-N 3.28Å; T442-L444 VanDerWaalsContact C-N 3.29Å; T442-L444 PolarHBondContact O-N 3.01Å; L444-L446 HydrophobicContact CB-CB 4.49Å; L444-L446 HydrophobicContact CB-CD1 4.09Å; L444-L446 HydrophobicContact CB-CG 4.08Å; L444-L446 HydrophobicContact CD1-CD1 4.38Å; L444-L446 PolarHBondContact O-N 3.27Å
445	G	95	Very high	94.8	Very high	45 Å²	45	57.2 Å²	57.2	46%	0.464	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	71	13.9	-175.4	0	0	0	0	0	114.3	L441 T442 K443 K448	L441-G445 PolarHBondContact O-N 2.93Å; T442-G445 PolarHBondContact O-N 2.64Å; K443-G445 PolarHBondContact O-N 3.26Å; G445-K448 PolarHBondContact O-NZ 2.89Å
446	L	95.4	Very high	94	Very high	6 Å²	6	60 Å²	60	3%	0.031	31%	0.305	C	S	.	.			trans	-95.4	-23.2	-176.3	-65.8	178.3	0	0	0	112.8	F301 A302 R304 P362 L441 L444	F301-L446 CarbonylContact C-O 3.57Å; F301-L446 VanDerWaalsContact CA-O 3.3Å; F301-L446 WeakPolarHBondContact CA-O 3.33Å; A302-L446 HydrophobicContact CB-CD2 4.41Å; A302-L446 PolarHBondContact N-O 3.26Å; R304-L446 HydrophobicContact CG-CD2 4.07Å; P362-L446 HydrophobicContact CB-CD1 3.74Å; P362-L446 HydrophobicContact CG-CD1 3.65Å; L441-L446 HydrophobicContact CD2-CB 4.06Å; L441-L446 HydrophobicContact CD2-CD1 4.35Å; L441-L446 PolarHBondContact O-N 3.48Å; L444-L446 HydrophobicContact CB-CB 4.49Å; L444-L446 HydrophobicContact CB-CD1 4.09Å; L444-L446 HydrophobicContact CB-CG 4.08Å; L444-L446 HydrophobicContact CD1-CD1 4.38Å; L444-L446 PolarHBondContact O-N 3.27Å
447	Y	97.1	Very high	92.9	Very high	44 Å²	44	60.4 Å²	60.4	17%	0.173	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	130.2	172.5	-167.3	-101.2	0	0	0	110.7	D299 F301 V438 L441 R450	D299-Y447 HydrophobicContact CB-CE2 4.08Å; D299-Y447 PolarHBondContact OD1-OH 3.03Å; F301-Y447 HydrophobicContact CB-CD2 4.47Å; V438-Y447 HydrophobicContact CB-CE2 4.34Å; V438-Y447 HydrophobicContact CG1-CD2 4.25Å; V438-Y447 HydrophobicContact CG1-CE1 4.15Å; V438-Y447 HydrophobicContact CG1-CE2 3.82Å; V438-Y447 HydrophobicContact CG2-CE2 3.99Å; L441-Y447 HydrophobicContact CB-CD2 4.47Å; L441-Y447 PolarHBondContact O-N 3.05Å; Y447-R450 WeakPolarHBondContact OH-CB 3.21Å; Y447-R450 PolarHBondContact OH-NE 3.38Å
448	K	95.1	Very high	91.9	Very high	80 Å²	80	62 Å²	62	35%	0.348	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-52.7	-172.5	-57.6	-53	-179.7	-171.6	0	112.9	Y300 A302 E325 V327 G445	Y300-K448 WeakPolarHBondContact O-CA 3.31Å; Y300-K448 WeakPolarHBondContact O-CB 3.46Å; Y300-K448 PolarHBondContact O-N 2.72Å; A302-K448 VanDerWaalsContact CB-CE 3.5Å; E325-K448 IonicContact OE1-NZ 2.78Å; E325-K448 VanDerWaalsContact OE2-CE 3.28Å; E325-K448 WeakPolarHBondContact OE2-CE 3.38Å; E325-K448 IonicContact OE2-NZ 3.99Å; E325-K448 PolarHBondContact OE2-NZ 2.76Å; V327-K448 HydrophobicContact CG1-CG 4.13Å; V327-K448 HydrophobicContact CG2-CG 4.15Å; G445-K448 PolarHBondContact O-NZ 2.89Å
449	R	94.7	Very high	91.1	Very high	128 Å²	128	71 Å²	71	48%	0.483	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	171.6	-178.8	62.8	174.1	-176.7	-100.3	1.1	112	Y300	Y300-R449 HydrophobicContact CD2-CG 3.77Å; Y300-R449 HydrophobicContact CG-CG 3.73Å; Y300-R449 PolarHBondContact N-O 3.14Å; Y300-R449 PolarHBondContact O-N 3.14Å
450	R	94.5	Very high	90.4	Very high	93 Å²	93	69.9 Å²	69.9	35%	0.351	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.8	168.6	178.1	173.7	-72.9	-165.5	-9.5	109.7	E294 V297 M298 D299 Y447	E294-R450 IonicContact OE2-CZ 3.82Å; E294-R450 IonicContact OE2-NH1 3.66Å; E294-R450 PolarHBondContact OE2-NH1 3.13Å; V297-R450 HydrophobicContact CB-CG 4.02Å; V297-R450 HydrophobicContact CG1-CG 4.38Å; M298-R450 WeakPolarHBondContact O-CA 3.42Å; D299-R450 IonicContact OD1-CZ 3.62Å; D299-R450 VanDerWaalsContact OD1-CZ 3.24Å; D299-R450 IonicContact OD1-NE 3.65Å; D299-R450 PolarHBondContact OD1-NE 3.02Å; D299-R450 IonicContact OD1-NH2 2.8Å; D299-R450 PolarHBondContact OD1-NH2 3.2Å; D299-R450 IonicContact OD2-NH2 3.85Å; D299-R450 PolarHBondContact OD2-NH2 3.14Å; Y447-R450 WeakPolarHBondContact OH-CB 3.21Å; Y447-R450 PolarHBondContact OH-NE 3.38Å
451	Q	94.3	Very high	90	Very high	42 Å²	42	70 Å²	70	20%	0.196	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	163.4	170.7	66.4	-171.7	47.8	0	0	110.7	V297 M298 Y300 A455	V297-Q451 CarbonylContact C-O 3.34Å; V297-Q451 WeakPolarHBondContact CA-O 3.27Å; M298-Q451 HydrophobicContact CB-CG 4.38Å; M298-Q451 PolarHBondContact N-O 3.15Å; M298-Q451 PolarHBondContact O-N 2.79Å; M298-Q451 VanDerWaalsContact O-N 3.15Å; Y300-Q451 HydrophobicContact CE2-CG 3.76Å; Y300-Q451 PolarHBondContact OH-NE2 3.42Å; Q451-A455 HydrophobicContact CB-CB 4.32Å; Q451-A455 HydrophobicContact CG-CB 4.45Å
452	N	94.3	Very high	89.7	Confident	61 Å²	61	75.1 Å²	75.1	33%	0.326	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	144.6	169.5	-71.2	-18.4	0	0	0	110.7	E280 S281 G454 A455	E280-N452 HydrophobicContact CB-CB 4.31Å; S281-N452 PolarHBondContact N-OD1 2.71Å; N452-G454 VanDerWaalsContact C-N 3.27Å; N452-G454 PolarHBondContact O-N 3.12Å; N452-A455 HydrophobicContact CB-CB 4.38Å; N452-A455 WeakPolarHBondContact O-CB 3.3Å; N452-A455 PolarHBondContact O-N 3.1Å
453	I	90.3	Very high	89.6	Confident	19 Å²	19	72.3 Å²	72.3	10%	0.097	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-41.4	179.5	-68.1	171.4	0	0	0	111.3	S279 G296 M298 T331 A455 G458 R459 A461	S279-I453 PolarHBondContact O-N 3.42Å; G296-I453 WeakPolarHBondContact O-CG1 3.48Å; G296-I453 PolarHBondContact O-N 3.4Å; M298-I453 HydrophobicContact CB-CG1 4.49Å; T331-I453 HydrophobicContact CG2-CD1 3.48Å; T331-I453 VanDerWaalsContact CG2-CD1 3.48Å; T331-I453 HydrophobicContact CG2-CG1 3.81Å; I453-A455 PolarHBondContact O-N 3.48Å; I453-G458 WeakPolarHBondContact O-CA 3.35Å; I453-R459 WeakPolarHBondContact CG2-O 3.44Å; I453-A461 HydrophobicContact CD1-CB 3.81Å; I453-A461 HydrophobicContact CG2-CB 4.39Å
454	G	85.5	Confident	89.6	Confident	27 Å²	27	66.6 Å²	66.6	28%	0.278	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-1.3	178.5	0	0	0	0	0	114.7	S279 N452 G458	S279-G454 WeakPolarHBondContact O-CA 3.17Å; S279-G454 PolarHBondContact O-N 2.89Å; N452-G454 VanDerWaalsContact C-N 3.27Å; N452-G454 PolarHBondContact O-N 3.12Å; G454-G458 WeakPolarHBondContact CA-O 3.34Å
455	A	84.8	Confident	89.7	Confident	34 Å²	34	64.4 Å²	64.4	28%	0.281	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-61.6	146.3	175.2	0	0	0	0	0	110.6	Q451 N452 I453 G457 G458	Q451-A455 HydrophobicContact CB-CB 4.32Å; Q451-A455 HydrophobicContact CG-CB 4.45Å; N452-A455 HydrophobicContact CB-CB 4.38Å; N452-A455 WeakPolarHBondContact O-CB 3.3Å; N452-A455 PolarHBondContact O-N 3.1Å; I453-A455 PolarHBondContact O-N 3.48Å; A455-G457 VanDerWaalsContact C-N 3.27Å; A455-G457 PolarHBondContact O-N 2.9Å; A455-G458 PolarHBondContact O-N 3.11Å
456	N	79.1	Confident	89.6	Confident	156 Å²	156	62.3 Å²	62.3	83%	0.834	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	57	32.2	178.5	-54.4	-24.5	0	0	0	114.8
457	G	75.7	Confident	89.3	Confident	77 Å²	77	64 Å²	64	79%	0.794	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	81.3	17.7	179.1	0	0	0	0	0	114.6	A455	A455-G457 VanDerWaalsContact C-N 3.27Å; A455-G457 PolarHBondContact O-N 2.9Å
458	G	75.8	Confident	88.9	Confident	33 Å²	33	65.7 Å²	65.7	34%	0.34	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-62.8	145.3	173.8	0	0	0	0	0	112.9	I453 G454 A455	I453-G458 WeakPolarHBondContact O-CA 3.35Å; G454-G458 WeakPolarHBondContact CA-O 3.34Å; A455-G458 PolarHBondContact O-N 3.11Å
459	R	80	Confident	88.7	Confident	212 Å²	212	63 Å²	63	80%	0.8	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-74.1	143.1	176.6	-65.8	-178.2	-178.4	175.3	2.2	110.5	I453	I453-R459 WeakPolarHBondContact CG2-O 3.44Å
460	P	84.2	Confident	88.5	Confident	76 Å²	76	58.6 Å²	58.6	49%	0.494	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-54.9	142.5	170.7	-22.1	32.2	0	0	0	111.3	D277	D277-P460 HydrophobicContact CB-CB 4.44Å
461	A	87.3	Confident	88.5	Confident	31 Å²	31	54.3 Å²	54.3	26%	0.256	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	145.8	171.4	0	0	0	0	0	110.2	I278 I453	I278-A461 HydrophobicContact CG2-CB 4.08Å; I278-A461 WeakPolarHBondContact CG2-O 3.25Å; I278-A461 PolarHBondContact N-O 2.99Å; I278-A461 PolarHBondContact O-N 3.34Å; I453-A461 HydrophobicContact CD1-CB 3.81Å; I453-A461 HydrophobicContact CG2-CB 4.39Å
462	L	92.3	Very high	88.6	Confident	108 Å²	108	53 Å²	53	57%	0.565	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	110.9	170.8	-67.3	172	0	0	0	108.9	F275 D277 P464	F275-L462 HydrophobicContact CB-CD2 4.11Å; F275-L462 HydrophobicContact CD1-CB 4.04Å; D277-L462 WeakPolarHBondContact OD1-CD2 3.39Å; L462-P464 WeakPolarHBondContact O-CD 3.36Å
463	L	95	Very high	88.7	Confident	21 Å²	21	50.4 Å²	50.4	11%	0.11	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	114.1	174.7	-174	68.4	0	0	0	109.4	R276 I278 L284 F295 I465 I472	R276-L463 PolarHBondContact N-O 3.32Å; R276-L463 PolarHBondContact O-N 2.94Å; I278-L463 HydrophobicContact CG2-CB 4.33Å; L284-L463 HydrophobicContact CD1-CD2 3.47Å; L284-L463 VanDerWaalsContact CD1-CD2 3.47Å; F295-L463 HydrophobicContact CB-CD2 4.27Å; F295-L463 HydrophobicContact CD1-CD1 3.84Å; F295-L463 HydrophobicContact CD1-CD2 4.19Å; F295-L463 HydrophobicContact CD2-CD2 4.3Å; F295-L463 HydrophobicContact CE1-CD1 4.19Å; F295-L463 HydrophobicContact CG-CD1 4.43Å; F295-L463 HydrophobicContact CG-CD2 3.99Å; L463-I465 HydrophobicContact CG-CG1 4.43Å; L463-I472 HydrophobicContact CD1-CD1 4.21Å; L463-I472 HydrophobicContact CD1-CG2 3.86Å; L463-I472 HydrophobicContact CD2-CD1 3.75Å; L463-I472 HydrophobicContact CG-CD1 3.96Å
464	P	96.3	Very high	89	Confident	30 Å²	30	49.6 Å²	49.6	20%	0.195	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	124.2	-179.7	33	-34.9	0	0	0	110.9	V273 F275 L462 I473	V273-P464 HydrophobicContact CG1-CB 3.5Å; V273-P464 VanDerWaalsContact CG1-CB 3.5Å; F275-P464 HydrophobicContact CD1-CB 4.13Å; F275-P464 HydrophobicContact CE1-CB 3.88Å; L462-P464 WeakPolarHBondContact O-CD 3.36Å; P464-I473 HydrophobicContact CB-CB 3.96Å; P464-I473 HydrophobicContact CB-CG1 4.38Å; P464-I473 HydrophobicContact CG-CB 4.12Å; P464-I473 PolarHBondContact O-N 2.94Å
465	I	96.1	Very high	89.4	Confident	29 Å²	29	50.1 Å²	50.1	15%	0.149	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.6	-175.5	-57.2	175.1	0	0	0	109.2	E274 R276 L463 S467 I472	E274-I465 PolarHBondContact N-O 3.26Å; E274-I465 PolarHBondContact O-N 2.91Å; R276-I465 HydrophobicContact CB-CD1 3.91Å; L463-I465 HydrophobicContact CG-CG1 4.43Å; I465-S467 PolarHBondContact O-N 2.97Å; I465-I472 HydrophobicContact CG1-CD1 4.02Å
466	C	94.2	Very high	89.8	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.007	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	115.4	172.6	-178.8	0	0	0	0	109.8	C261 R468 S469 G470 D471 I473	C261-C466 HydrophobicContact CB-CB 4.37Å; C466-R468 PolarHBondContact O-N 3Å; C466-S469 WeakPolarHBondContact CB-OG 3.37Å; C466-S469 PolarHBondContact O-N 3.39Å; C466-S469 PolarHBondContact SG-OG 3.25Å; C466-S469 VanDerWaalsContact SG-OG 3.4Å; C466-G470 WeakPolarHBondContact O-CA 3.23Å; C466-G470 PolarHBondContact O-N 2.97Å; C466-D471 WeakPolarHBondContact CB-O 3.46Å; C466-D471 PolarHBondContact N-O 3.2Å; C466-I473 HydrophobicContact CB-CD1 3.67Å; C466-I473 HydrophobicContact CB-CG1 4.37Å
467	S	89.5	Confident	90.5	Very high	43 Å²	43	42 Å²	42	30%	0.301	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-16.1	177.3	59.4	0	0	0	0	114.5	E272 I465	E272-S467 WeakPolarHBondContact O-CB 3.4Å; E272-S467 PolarHBondContact O-N 2.99Å; E272-S467 PolarHBondContact O-OG 3.41Å; I465-S467 PolarHBondContact O-N 2.97Å
468	R	88.9	Confident	91.3	Very high	79 Å²	79	40.9 Å²	40.9	30%	0.298	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-47.8	-177.4	-53.5	-54.9	-175.7	-175.5	-0.3	113.1	I147 R155 L264 E272 C466	I147-R468 HydrophobicContact CD1-CG 4.38Å; I147-R468 HydrophobicContact CG1-CG 4.45Å; I147-R468 HydrophobicContact CG2-CG 4.48Å; R155-R468 PolarHBondContact NH2-O 3.24Å; L264-R468 HydrophobicContact CD1-CB 3.85Å; E272-R468 IonicContact OE1-CZ 2.66Å; E272-R468 IonicContact OE1-NE 2.83Å; E272-R468 IonicContact OE1-NH2 3.75Å; E272-R468 PolarHBondContact OE1-NH2 3.49Å; C466-R468 PolarHBondContact O-N 3Å
469	S	89.7	Confident	92.1	Very high	24 Å²	24	42.9 Å²	42.9	17%	0.168	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-24.7	-175.9	61.8	0	0	0	0	113.9	C261 C466 D471	C261-S469 PolarHBondContact SG-OG 2.85Å; C466-S469 WeakPolarHBondContact CB-OG 3.37Å; C466-S469 PolarHBondContact O-N 3.39Å; C466-S469 PolarHBondContact SG-OG 3.25Å; C466-S469 VanDerWaalsContact SG-OG 3.4Å; S469-D471 VanDerWaalsContact OG-CB 3.31Å; S469-D471 WeakPolarHBondContact OG-CB 3.46Å; S469-D471 PolarHBondContact OG-N 3.01Å; S469-D471 VanDerWaalsContact OG-N 3.08Å
470	G	90.7	Very high	92.8	Very high	34 Å²	34	33 Å²	33	35%	0.351	19%	0.188	S	C	.	.			trans	76.8	5.2	-166.1	0	0	0	0	0	114	C466	C466-G470 WeakPolarHBondContact O-CA 3.23Å; C466-G470 PolarHBondContact O-N 2.97Å
471	D	94.5	Very high	93.4	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-71.3	156.2	173.4	-166.1	14.2	0	0	0	111.2	C262 Y263 V286 P287 R430 C466 S469	C262-D471 PolarHBondContact N-OD2 3.18Å; Y263-D471 PolarHBondContact N-OD2 3.43Å; V286-D471 VanDerWaalsContact CG1-OD1 3.29Å; V286-D471 WeakPolarHBondContact CG1-OD1 3.33Å; P287-D471 HydrophobicContact CG-CB 3.64Å; R430-D471 VanDerWaalsContact NH2-CG 3.29Å; R430-D471 IonicContact NH2-OD1 3.97Å; R430-D471 PolarHBondContact NH2-OD1 3.22Å; R430-D471 IonicContact NH2-OD2 3.8Å; R430-D471 PolarHBondContact NH2-OD2 3.05Å; C466-D471 WeakPolarHBondContact CB-O 3.46Å; C466-D471 PolarHBondContact N-O 3.2Å; S469-D471 VanDerWaalsContact OG-CB 3.31Å; S469-D471 WeakPolarHBondContact OG-CB 3.46Å; S469-D471 PolarHBondContact OG-N 3.01Å; S469-D471 VanDerWaalsContact OG-N 3.08Å
472	I	96.6	Very high	93.9	Very high	14 Å²	14	28.6 Å²	28.6	7%	0.072	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-76.3	129	172	-52.4	-49.4	0	0	0	108.6	V286 F295 R430 F431 L463 I465 E474	V286-I472 HydrophobicContact CG2-CG1 4.3Å; F295-I472 HydrophobicContact CE1-CD1 4.5Å; F295-I472 HydrophobicContact CE1-CG1 3.87Å; F295-I472 HydrophobicContact CE2-CD1 4.41Å; F295-I472 HydrophobicContact CE2-CG1 4.22Å; F295-I472 HydrophobicContact CZ-CD1 4.11Å; F295-I472 HydrophobicContact CZ-CG1 3.49Å; F295-I472 VanDerWaalsContact CZ-CG1 3.49Å; R430-I472 PolarHBondContact NH2-O 3.44Å; F431-I472 HydrophobicContact CE2-CG1 4.36Å; F431-I472 HydrophobicContact CZ-CB 4.03Å; F431-I472 HydrophobicContact CZ-CG1 4.02Å; L463-I472 HydrophobicContact CD1-CD1 4.21Å; L463-I472 HydrophobicContact CD1-CG2 3.86Å; L463-I472 HydrophobicContact CD2-CD1 3.75Å; L463-I472 HydrophobicContact CG-CD1 3.96Å; I465-I472 HydrophobicContact CG1-CD1 4.02Å; I472-E474 PolarHBondContact O-N 3.15Å
473	I	96.6	Very high	94.1	Very high	7 Å²	7	23.5 Å²	23.5	4%	0.036	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	130.8	178.4	-65.4	-66.1	0	0	0	109.5	W260 C261 I268 V273 P464 C466	W260-I473 WeakPolarHBondContact O-CA 3.46Å; C261-I473 HydrophobicContact CB-CD1 4.44Å; I268-I473 HydrophobicContact CB-CD1 4.05Å; I268-I473 HydrophobicContact CG1-CD1 3.83Å; I268-I473 HydrophobicContact CG2-CD1 4.3Å; V273-I473 HydrophobicContact CG1-CG1 4.01Å; V273-I473 HydrophobicContact CG2-CD1 4.32Å; V273-I473 HydrophobicContact CG2-CG1 4.01Å; P464-I473 HydrophobicContact CB-CB 3.96Å; P464-I473 HydrophobicContact CB-CG1 4.38Å; P464-I473 HydrophobicContact CG-CB 4.12Å; P464-I473 PolarHBondContact O-N 2.94Å; C466-I473 HydrophobicContact CB-CD1 3.67Å; C466-I473 HydrophobicContact CB-CG1 4.37Å
474	E	95.8	Very high	94.2	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.009	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	120.8	172.8	-167.9	59	-119.5	0	0	109.5	W260 R332 F412 R430 I472 M476	W260-E474 WeakPolarHBondContact CA-O 3.06Å; W260-E474 HydrophobicContact CB-CB 4.44Å; W260-E474 WeakPolarHBondContact CB-O 3.49Å; W260-E474 PolarHBondContact N-O 3.25Å; W260-E474 PolarHBondContact O-N 3.27Å; R332-E474 IonicContact CZ-OE1 2.58Å; R332-E474 IonicContact CZ-OE2 2.99Å; R332-E474 IonicContact NH1-OE1 2.81Å; R332-E474 PolarHBondContact NH1-OE1 3.45Å; R332-E474 IonicContact NH2-OE1 3.52Å; R332-E474 PolarHBondContact NH2-OE1 3.42Å; R332-E474 IonicContact NH2-OE2 2.78Å; R332-E474 PolarHBondContact NH2-OE2 3.43Å; F412-E474 HydrophobicContact CD2-CG 4.11Å; R430-E474 IonicContact CZ-OE2 2.79Å; R430-E474 IonicContact NH1-OE2 3.18Å; R430-E474 PolarHBondContact NH1-OE2 3.28Å; R430-E474 VanDerWaalsContact NH1-OE2 3.07Å; I472-E474 PolarHBondContact O-N 3.15Å; E474-M476 HydrophobicContact CB-CG 4.17Å; E474-M476 HydrophobicContact CG-CG 3.71Å; E474-M476 HydrophobicContact CG-SD 4.38Å; E474-M476 PolarHBondContact O-N 2.89Å
475	P	93.9	Very high	94.1	Very high	38 Å²	38	26.5 Å²	26.5	25%	0.247	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	111.4	167.6	-15.4	30.5	0	0	0	108.8	F257 H393	F257-P475 HydrophobicContact CD1-CB 3.71Å; F257-P475 HydrophobicContact CE1-CB 3.83Å; H393-P475 WeakPolarHBondContact CA-O 3.47Å
476	M	93.5	Very high	94	Very high	8 Å²	8	30.5 Å²	30.5	4%	0.039	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144.3	177.2	-64.2	-169.9	79.3	0	0	110.6	F257 I258 W260 E474 K478	F257-M476 WeakPolarHBondContact CA-O 3.37Å; I258-M476 VanDerWaalsContact CG1-O 3.29Å; I258-M476 WeakPolarHBondContact CG1-O 3.2Å; I258-M476 PolarHBondContact N-O 2.93Å; I258-M476 PolarHBondContact O-N 2.82Å; I258-M476 VanDerWaalsContact O-N 3.1Å; W260-M476 HydrophobicContact CB-CB 4.1Å; W260-M476 HydrophobicContact CB-CG 3.84Å; W260-M476 HydrophobicContact CB-SD 3.91Å; W260-M476 HydrophobicContact CD2-SD 4.05Å; W260-M476 HydrophobicContact CG-CG 4.14Å; W260-M476 HydrophobicContact CG-SD 3.52Å; W260-M476 VanDerWaalsContact CG-SD 3.52Å; E474-M476 HydrophobicContact CB-CG 4.17Å; E474-M476 HydrophobicContact CG-CG 3.71Å; E474-M476 HydrophobicContact CG-SD 4.38Å; E474-M476 PolarHBondContact O-N 2.89Å; M476-K478 HydrophobicContact CB-CG 4.41Å
477	I	92.9	Very high	94	Very high	11 Å²	11	35.3 Å²	35.3	6%	0.056	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	120.4	167.2	-57	166.3	0	0	0	107.5	E255 S256 F257 W398 V408 Y410	E255-I477 HydrophobicContact CB-CG2 4.06Å; S256-I477 WeakPolarHBondContact O-CA 3.26Å; F257-I477 HydrophobicContact CD1-CG1 4.42Å; F257-I477 HydrophobicContact CD2-CD1 4.44Å; F257-I477 HydrophobicContact CD2-CG1 3.78Å; F257-I477 HydrophobicContact CE1-CG1 4.07Å; F257-I477 HydrophobicContact CE2-CD1 3.6Å; F257-I477 HydrophobicContact CE2-CG1 3.31Å; F257-I477 HydrophobicContact CG-CG1 4.31Å; F257-I477 HydrophobicContact CZ-CD1 3.85Å; F257-I477 HydrophobicContact CZ-CG1 3.52Å; W398-I477 HydrophobicContact CD2-CD1 4.48Å; W398-I477 HydrophobicContact CG-CD1 4.13Å; V408-I477 HydrophobicContact CG1-CD1 3.74Å; Y410-I477 HydrophobicContact CE1-CB 3.93Å; Y410-I477 HydrophobicContact CE1-CD1 3.98Å; Y410-I477 HydrophobicContact CE1-CG1 4.31Å
478	K	92.8	Very high	94.4	Very high	53 Å²	53	33.7 Å²	33.7	23%	0.23	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	146.6	174.1	-67.4	-66.7	-171.9	180	0	109.5	S256 I258 W260 N414 M476 Q480	S256-K478 PolarHBondContact N-O 3.45Å; S256-K478 VanDerWaalsContact N-O 3.16Å; S256-K478 PolarHBondContact O-N 3.38Å; S256-K478 VanDerWaalsContact O-N 3.08Å; I258-K478 HydrophobicContact CD1-CB 3.69Å; I258-K478 HydrophobicContact CD1-CG 3.65Å; I258-K478 HydrophobicContact CG1-CB 3.97Å; I258-K478 HydrophobicContact CG1-CG 4.01Å; W260-K478 HydrophobicContact CE3-CG 4.38Å; W260-K478 HydrophobicContact CZ3-CG 4.34Å; N414-K478 WeakPolarHBondContact OD1-CE 3.36Å; N414-K478 PolarHBondContact OD1-NZ 3.26Å; M476-K478 HydrophobicContact CB-CG 4.41Å; K478-Q480 HydrophobicContact CB-CG 4.2Å; K478-Q480 PolarHBondContact O-N 3.33Å
479	K	93.1	Very high	94.7	Very high	76 Å²	76	30 Å²	30	33%	0.33	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	120.3	166	-159.8	173	-165.5	179	0	108.6	Q253 S254 E255 D556	Q253-K479 HydrophobicContact CG-CD 4.43Å; Q253-K479 HydrophobicContact CG-CG 3.81Å; S254-K479 WeakPolarHBondContact O-CA 3.46Å; E255-K479 HydrophobicContact CG-CB 4.09Å; E255-K479 HydrophobicContact CG-CG 4.26Å; K479-D556 IonicContact NZ-OD2 3.98Å; K479-D556 PolarHBondContact NZ-OD2 3.2Å
480	Q	95.3	Very high	94.9	Very high	3 Å²	3	33 Å²	33	1%	0.014	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	162.9	-179.2	-62.1	-66.1	-24.5	0	0	110.5	Q253 S254 I258 K478 F482 S527	Q253-Q480 WeakPolarHBondContact CA-O 3.39Å; Q253-Q480 WeakPolarHBondContact CG-O 3.44Å; S254-Q480 PolarHBondContact N-O 3.45Å; S254-Q480 PolarHBondContact O-N 3.47Å; I258-Q480 HydrophobicContact CD1-CG 4.29Å; I258-Q480 HydrophobicContact CG2-CG 3.94Å; K478-Q480 HydrophobicContact CB-CG 4.2Å; K478-Q480 PolarHBondContact O-N 3.33Å; Q480-F482 HydrophobicContact CB-CD2 4.37Å; Q480-F482 HydrophobicContact CB-CE2 3.61Å; Q480-F482 HydrophobicContact CB-CZ 3.86Å; Q480-F482 VanDerWaalsContact O-CD2 3.27Å; Q480-F482 WeakPolarHBondContact O-CD2 3.42Å; Q480-F482 WeakPolarHBondContact O-CE2 3.37Å; Q480-S527 WeakPolarHBondContact CA-OG 3.46Å; Q480-S527 WeakPolarHBondContact CB-OG 3.22Å; Q480-S527 PolarHBondContact OE1-O 2.96Å; Q480-S527 PolarHBondContact OE1-OG 3.47Å
481	W	96.9	Very high	95.2	Very high	4 Å²	4	33 Å²	33	2%	0.015	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	135.1	171.3	-67	91.3	0	0	0	110.7	F242 Y246 I251 Y252 Q253 I526 S527 I536 A538 W558 V560 D586	F242-W481 HydrophobicContact CZ-CD2 4.27Å; F242-W481 AromaticContact CZ-CE3 3.96Å; F242-W481 HydrophobicContact CZ-CE3 3.96Å; F242-W481 HydrophobicContact CZ-CZ3 4.16Å; Y246-W481 HydrophobicContact CD2-CZ3 4.4Å; Y246-W481 HydrophobicContact CE2-CZ3 4.29Å; I251-W481 HydrophobicContact CG2-CE3 3.58Å; I251-W481 HydrophobicContact CG2-CZ3 3.95Å; Y252-W481 WeakPolarHBondContact O-CA 3.45Å; Q253-W481 HydrophobicContact CB-CD2 4.17Å; Q253-W481 HydrophobicContact CB-CE3 4.1Å; Q253-W481 HydrophobicContact CB-CH2 4.45Å; Q253-W481 HydrophobicContact CB-CZ2 4.5Å; Q253-W481 HydrophobicContact CB-CZ3 4.26Å; Q253-W481 HydrophobicContact CG-CD2 4.25Å; W481-I526 HydrophobicContact CB-CD1 4.26Å; W481-I526 HydrophobicContact CB-CG1 3.89Å; W481-I526 WeakPolarHBondContact O-CG1 3.37Å; W481-I526 PolarHBondContact O-N 3.13Å; W481-S527 PolarHBondContact N-OG 3.09Å; W481-I536 HydrophobicContact CG-CD1 4.23Å; W481-A538 HydrophobicContact CH2-CB 3.89Å; W481-A538 HydrophobicContact CZ2-CB 3.53Å; W481-W558 HydrophobicContact CH2-CB 4.28Å; W481-W558 HydrophobicContact CH2-CG 4.35Å; W481-W558 HydrophobicContact CZ2-CD2 4.07Å; W481-W558 HydrophobicContact CZ2-CE3 4.31Å; W481-W558 HydrophobicContact CZ2-CG 4.16Å; W481-V560 HydrophobicContact CH2-CG2 4.36Å; W481-D586 PolarHBondContact NE1-OD2 3.2Å
482	F	97.1	Very high	95.3	Very high	12 Å²	12	32.8 Å²	32.8	5%	0.053	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.5	-177.3	-66.2	-91.1	0	0	0	111	I251 Y252 Q480 D523 W524 C525	I251-F482 VanDerWaalsContact CA-O 3.31Å; I251-F482 WeakPolarHBondContact CA-O 3.43Å; Y252-F482 HydrophobicContact CD1-CB 4.24Å; Y252-F482 HydrophobicContact CE1-CB 3.62Å; Y252-F482 HydrophobicContact CE2-CB 4.22Å; Y252-F482 HydrophobicContact CE2-CD2 4.42Å; Y252-F482 PolarHBondContact N-O 3.27Å; Y252-F482 PolarHBondContact O-N 3.36Å; Q480-F482 HydrophobicContact CB-CD2 4.37Å; Q480-F482 HydrophobicContact CB-CE2 3.61Å; Q480-F482 HydrophobicContact CB-CZ 3.86Å; Q480-F482 VanDerWaalsContact O-CD2 3.27Å; Q480-F482 WeakPolarHBondContact O-CD2 3.42Å; Q480-F482 WeakPolarHBondContact O-CE2 3.37Å; F482-D523 HydrophobicContact CB-CB 4.26Å; F482-D523 HydrophobicContact CD1-CB 4.3Å; F482-W524 CarbonylContact C-O 3.44Å; F482-W524 VanDerWaalsContact CA-O 3.28Å; F482-W524 WeakPolarHBondContact CA-O 3.4Å; F482-C525 HydrophobicContact CD1-CB 3.96Å; F482-C525 HydrophobicContact CE1-CB 3.59Å; F482-C525 HydrophobicContact CZ-CB 4.28Å
483	V	97.3	Very high	95.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.1	165	179.6	0	0	0	0	108.3	L250 I251 T485 L488 D523 W524 I526 F594	L250-V483 CarbonylContact O-C 3.55Å; L250-V483 WeakPolarHBondContact O-CA 3.33Å; I251-V483 HydrophobicContact CD1-CG2 4.34Å; I251-V483 HydrophobicContact CG1-CG2 3.84Å; V483-T485 WeakPolarHBondContact O-CG2 3.23Å; V483-T485 PolarHBondContact O-N 3.15Å; V483-L488 HydrophobicContact CG1-CD1 3.85Å; V483-D523 WeakPolarHBondContact O-CA 3.35Å; V483-W524 HydrophobicContact CB-CB 4.42Å; V483-W524 HydrophobicContact CB-CE3 4.42Å; V483-W524 HydrophobicContact CG2-CE3 4.46Å; V483-W524 PolarHBondContact N-O 3.39Å; V483-W524 PolarHBondContact O-N 3.08Å; V483-I526 HydrophobicContact CG2-CD1 3.79Å; V483-I526 HydrophobicContact CG2-CG1 4.19Å; V483-I526 HydrophobicContact CG2-CG2 3.65Å; V483-F594 HydrophobicContact CG2-CD2 4.48Å; V483-F594 HydrophobicContact CG2-CE2 4.22Å
484	R	96.1	Very high	95.3	Very high	102 Å²	102	40.5 Å²	40.5	39%	0.385	20%	0.195	S	C	.	.			trans	-63.9	114.9	168.7	-69.2	-175.1	176.3	94.4	5.5	109.3	G249 L250 Y252 D523	G249-R484 PolarHBondContact O-NH1 3.36Å; L250-R484 HydrophobicContact CD2-CB 3.94Å; L250-R484 PolarHBondContact O-N 3.35Å; Y252-R484 HydrophobicContact CD1-CG 3.82Å; Y252-R484 VanDerWaalsContact CD1-CZ 3.49Å; Y252-R484 HydrophobicContact CE1-CG 3.52Å; R484-D523 WeakPolarHBondContact CA-OD1 3.45Å
485	T	94.5	Very high	95.4	Very high	13 Å²	13	40.4 Å²	40.4	8%	0.08	20%	0.195	C	C	.	.			trans	-97.5	-17.6	-170.9	57.9	0	0	0	0	114	V483 D487 L488 A489 K522 D523 W524	V483-T485 WeakPolarHBondContact O-CG2 3.23Å; V483-T485 PolarHBondContact O-N 3.15Å; T485-D487 PolarHBondContact O-N 3.08Å; T485-L488 PolarHBondContact O-N 3.15Å; T485-A489 VanDerWaalsContact O-CB 3.28Å; T485-A489 WeakPolarHBondContact O-CB 3.4Å; T485-A489 PolarHBondContact O-N 3.04Å; T485-K522 PolarHBondContact OG1-O 3.3Å; T485-D523 PolarHBondContact N-OD1 2.97Å; T485-W524 HydrophobicContact CG2-CB 3.66Å
486	K	94.4	Very high	95.5	Very high	112 Å²	112	38.8 Å²	38.8	49%	0.487	18%	0.184	S	C	.	.	H	α-helix	trans	-50	-62.7	-172.5	175.9	175.7	179.7	-169.1	0	113.4	L488 A489 E490 H521	K486-L488 VanDerWaalsContact C-N 3.27Å; K486-L488 PolarHBondContact O-N 3.32Å; K486-A489 PolarHBondContact O-N 2.61Å; K486-E490 VanDerWaalsContact CE-OE1 3.32Å; K486-E490 WeakPolarHBondContact CE-OE1 3.47Å; K486-E490 WeakPolarHBondContact O-CG 3.3Å; K486-E490 PolarHBondContact O-N 3.19Å; K486-H521 WeakPolarHBondContact CG-ND1 3.31Å
487	D	94.6	Very high	95.6	Very high	102 Å²	102	43.1 Å²	43.1	55%	0.545	20%	0.204	S	C	.	.	H	α-helix	trans	-66.7	-33.1	-175.2	-58.4	-21.2	0	0	0	111.6	T485 A491	T485-D487 PolarHBondContact O-N 3.08Å; D487-A491 WeakPolarHBondContact O-CB 3.36Å; D487-A491 PolarHBondContact O-N 3.48Å
488	L	96.6	Very high	95.7	Very high	10 Å²	10	45.4 Å²	45.4	5%	0.052	22%	0.221	C	C	.	.	H	α-helix	trans	-67	-42	176.5	-57.4	-179.6	0	0	0	111.7	L250 V483 T485 K486 A491 A492 M637 F641	L250-L488 HydrophobicContact CD1-CD2 4.12Å; V483-L488 HydrophobicContact CG1-CD1 3.85Å; T485-L488 PolarHBondContact O-N 3.15Å; K486-L488 VanDerWaalsContact C-N 3.27Å; K486-L488 PolarHBondContact O-N 3.32Å; L488-A491 PolarHBondContact O-N 3.42Å; L488-A492 WeakPolarHBondContact O-CB 3.39Å; L488-A492 PolarHBondContact O-N 3.4Å; L488-M637 HydrophobicContact CB-CB 3.88Å; L488-M637 HydrophobicContact CB-CG 3.88Å; L488-M637 HydrophobicContact CB-SD 4.48Å; L488-F641 HydrophobicContact CD2-CB 3.63Å; L488-F641 HydrophobicContact CD2-CD2 3.92Å; L488-F641 HydrophobicContact CD2-CG 3.88Å
489	A	95.1	Very high	95.8	Very high	2 Å²	2	48.8 Å²	48.8	2%	0.017	24%	0.241	C	C	.	.	H	α-helix	trans	-66.7	-43.1	177.4	0	0	0	0	0	111.1	T485 K486 A491 A492 V493 L516 M637	T485-A489 VanDerWaalsContact O-CB 3.28Å; T485-A489 WeakPolarHBondContact O-CB 3.4Å; T485-A489 PolarHBondContact O-N 3.04Å; K486-A489 PolarHBondContact O-N 2.61Å; A489-A491 VanDerWaalsContact C-N 3.34Å; A489-A491 PolarHBondContact O-N 2.94Å; A489-A492 WeakPolarHBondContact O-CB 3.43Å; A489-A492 PolarHBondContact O-N 2.86Å; A489-V493 WeakPolarHBondContact O-CG2 3.33Å; A489-V493 PolarHBondContact O-N 3.46Å; A489-L516 HydrophobicContact CB-CD2 3.94Å; A489-M637 HydrophobicContact CB-CE 3.93Å
490	E	95.4	Very high	96	Very high	86 Å²	86	50.6 Å²	50.6	40%	0.402	25%	0.251	S	S	.	.	H	α-helix	trans	-61.2	-42.1	175.7	-70.9	178	-169.7	0	0	111.7	K486 A492 V493 K494	K486-E490 VanDerWaalsContact CE-OE1 3.32Å; K486-E490 WeakPolarHBondContact CE-OE1 3.47Å; K486-E490 WeakPolarHBondContact O-CG 3.3Å; K486-E490 PolarHBondContact O-N 3.19Å; E490-A492 PolarHBondContact O-N 2.99Å; E490-V493 PolarHBondContact O-N 2.9Å; E490-K494 WeakPolarHBondContact O-CB 3.49Å; E490-K494 PolarHBondContact O-N 3.33Å
491	A	96.3	Very high	96.1	Very high	33 Å²	33	50.5 Å²	50.5	27%	0.273	25%	0.251	S	S	.	.	H	α-helix	trans	-62.2	-41.7	173.8	0	0	0	0	0	112.3	D487 L488 A489 K494 A495 I640	D487-A491 WeakPolarHBondContact O-CB 3.36Å; D487-A491 PolarHBondContact O-N 3.48Å; L488-A491 PolarHBondContact O-N 3.42Å; A489-A491 VanDerWaalsContact C-N 3.34Å; A489-A491 PolarHBondContact O-N 2.94Å; A491-K494 PolarHBondContact O-N 2.93Å; A491-A495 PolarHBondContact O-N 2.83Å; A491-I640 HydrophobicContact CB-CD1 4.43Å; A491-I640 HydrophobicContact CB-CG2 4.18Å
492	A	96.4	Very high	96	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.6	-39.5	177.2	0	0	0	0	0	112.6	L488 A489 E490 A495 W512 L516 V636 M637	L488-A492 WeakPolarHBondContact O-CB 3.39Å; L488-A492 PolarHBondContact O-N 3.4Å; A489-A492 WeakPolarHBondContact O-CB 3.43Å; A489-A492 PolarHBondContact O-N 2.86Å; E490-A492 PolarHBondContact O-N 2.99Å; A492-A495 PolarHBondContact O-N 3.26Å; A492-W512 HydrophobicContact CB-CZ2 3.94Å; A492-W512 PolarHBondContact O-NE1 3.27Å; A492-L516 HydrophobicContact CB-CD1 4.13Å; A492-V636 HydrophobicContact CB-CB 4.34Å; A492-V636 HydrophobicContact CB-CG1 3.69Å; A492-M637 HydrophobicContact CB-CG 4.19Å
493	V	96.2	Very high	96	Very high	32 Å²	32	52 Å²	52	19%	0.194	26%	0.258	C	S	.	.	H	α-helix	trans	-63.8	-45.8	172.6	172.4	0	0	0	0	110.7	A489 E490 A495 V496 H497 L516	A489-V493 WeakPolarHBondContact O-CG2 3.33Å; A489-V493 PolarHBondContact O-N 3.46Å; E490-V493 PolarHBondContact O-N 2.9Å; V493-A495 VanDerWaalsContact C-N 3.32Å; V493-A495 PolarHBondContact O-N 2.89Å; V493-V496 PolarHBondContact O-N 2.8Å; V493-H497 WeakPolarHBondContact CG1-ND1 3.48Å; V493-H497 PolarHBondContact O-N 3.38Å; V493-H497 VanDerWaalsContact O-N 3.11Å; V493-H497 PolarHBondContact O-ND1 3.21Å; V493-L516 HydrophobicContact CG2-CB 3.32Å; V493-L516 HydrophobicContact CG2-CD1 3.76Å; V493-L516 HydrophobicContact CG2-CG 4.19Å
494	K	96.6	Very high	95.8	Very high	151 Å²	151	53.5 Å²	53.5	66%	0.657	26%	0.264	S	S	*	.	H	α-helix	trans	-60.9	-39.7	178.6	-176.3	179.7	177.3	-178.3	0	111.9	E490 A491 V496 H497 S498	E490-K494 WeakPolarHBondContact O-CB 3.49Å; E490-K494 PolarHBondContact O-N 3.33Å; A491-K494 PolarHBondContact O-N 2.93Å; K494-V496 VanDerWaalsContact C-N 3.31Å; K494-V496 PolarHBondContact O-N 3.42Å; K494-H497 PolarHBondContact O-N 3.26Å; K494-S498 VanDerWaalsContact O-CB 3.28Å; K494-S498 WeakPolarHBondContact O-CB 3.32Å; K494-S498 PolarHBondContact O-N 3.03Å; K494-S498 PolarHBondContact O-OG 2.86Å
495	A	97.6	Very high	95.6	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.008	25%	0.25	C	S	.	.	H	α-helix	trans	-58.7	-40.9	178.8	0	0	0	0	0	112.7	A491 A492 V493 S498 Q500 L501 I640 V646	A491-A495 PolarHBondContact O-N 2.83Å; A492-A495 PolarHBondContact O-N 3.26Å; V493-A495 VanDerWaalsContact C-N 3.32Å; V493-A495 PolarHBondContact O-N 2.89Å; A495-S498 PolarHBondContact O-OG 3.13Å; A495-Q500 WeakPolarHBondContact O-CB 3.44Å; A495-Q500 PolarHBondContact O-N 2.87Å; A495-L501 HydrophobicContact CB-CB 4.3Å; A495-L501 PolarHBondContact O-N 2.94Å; A495-I640 HydrophobicContact CB-CD1 3.86Å; A495-V646 HydrophobicContact CB-CG1 3.76Å
496	V	96.6	Very high	95.4	Very high	3 Å²	3	54 Å²	54	2%	0.018	27%	0.271	C	S	.	.	H	α-helix	trans	-73.2	-43.2	176.9	178.4	0	0	0	0	112	V493 K494 S498 N499 L501 L503 K509 W512	V493-V496 PolarHBondContact O-N 2.8Å; K494-V496 VanDerWaalsContact C-N 3.31Å; K494-V496 PolarHBondContact O-N 3.42Å; V496-S498 VanDerWaalsContact C-N 3.32Å; V496-S498 PolarHBondContact O-N 3.48Å; V496-N499 PolarHBondContact O-N 2.75Å; V496-L501 WeakPolarHBondContact CA-O 3.3Å; V496-L501 HydrophobicContact CG2-CB 4.17Å; V496-L501 HydrophobicContact CG2-CD2 3.74Å; V496-L501 HydrophobicContact CG2-CG 3.95Å; V496-L503 HydrophobicContact CG1-CD1 4.09Å; V496-L503 HydrophobicContact CG1-CG 4.2Å; V496-L503 HydrophobicContact CG2-CD1 4.1Å; V496-L503 HydrophobicContact CG2-CG 4.18Å; V496-K509 HydrophobicContact CG1-CB 4.47Å; V496-K509 HydrophobicContact CG1-CD 4.06Å; V496-K509 HydrophobicContact CG1-CG 3.78Å; V496-W512 HydrophobicContact CG2-CD2 4.4Å; V496-W512 HydrophobicContact CG2-CG 4.41Å; V496-W512 HydrophobicContact CG2-CZ2 4.15Å
497	H	95.7	Very high	95.2	Very high	99 Å²	99	52.8 Å²	52.8	46%	0.458	27%	0.271	S	S	.	.	H	α-helix	trans	-69.6	-28.7	-179.2	-73.2	85.1	0	0	0	113.7	V493 K494 N499 S513	V493-H497 WeakPolarHBondContact CG1-ND1 3.48Å; V493-H497 PolarHBondContact O-N 3.38Å; V493-H497 VanDerWaalsContact O-N 3.11Å; V493-H497 PolarHBondContact O-ND1 3.21Å; K494-H497 PolarHBondContact O-N 3.26Å; H497-N499 VanDerWaalsContact C-N 3.27Å; H497-S513 PolarHBondContact CE1-OG 2.88Å
498	S	96	Very high	95.1	Very high	59 Å²	59	48.3 Å²	48.3	41%	0.413	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	5	175	60.4	0	0	0	0	113.7	K494 A495 V496 Q500	K494-S498 VanDerWaalsContact O-CB 3.28Å; K494-S498 WeakPolarHBondContact O-CB 3.32Å; K494-S498 PolarHBondContact O-N 3.03Å; K494-S498 PolarHBondContact O-OG 2.86Å; A495-S498 PolarHBondContact O-OG 3.13Å; V496-S498 VanDerWaalsContact C-N 3.32Å; V496-S498 PolarHBondContact O-N 3.48Å; S498-Q500 PolarHBondContact O-N 2.99Å; S498-Q500 WeakPolarHBondContact OG-CG 3.45Å
499	N	94.5	Very high	95	Very high	125 Å²	125	50 Å²	50	67%	0.668	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	21.6	-176.5	-55.7	-39	0	0	0	114.4	V496 H497 L501	V496-N499 PolarHBondContact O-N 2.75Å; H497-N499 VanDerWaalsContact C-N 3.27Å; N499-L501 VanDerWaalsContact C-N 3.28Å
500	Q	96.3	Very high	94.8	Very high	114 Å²	114	56.3 Å²	56.3	53%	0.533	29%	0.286	S	S	.	.	S	Bend	trans	-70.8	-31.4	168.3	-68.5	-177.5	-21.7	0	0	111.3	A495 S498 V646	A495-Q500 WeakPolarHBondContact O-CB 3.44Å; A495-Q500 PolarHBondContact O-N 2.87Å; S498-Q500 PolarHBondContact O-N 2.99Å; S498-Q500 WeakPolarHBondContact OG-CG 3.45Å; Q500-V646 HydrophobicContact CB-CG1 4.14Å
501	L	97.5	Very high	94.6	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	29%	0.285	C	S	.	.	S	Bend	trans	-123.4	123	174.1	171.9	59.6	0	0	0	109.4	A495 V496 N499 L503 W512 V636 V646 F648 V651	A495-L501 HydrophobicContact CB-CB 4.3Å; A495-L501 PolarHBondContact O-N 2.94Å; V496-L501 WeakPolarHBondContact CA-O 3.3Å; V496-L501 HydrophobicContact CG2-CB 4.17Å; V496-L501 HydrophobicContact CG2-CD2 3.74Å; V496-L501 HydrophobicContact CG2-CG 3.95Å; N499-L501 VanDerWaalsContact C-N 3.28Å; L501-L503 HydrophobicContact CD1-CD2 4.48Å; L501-L503 HydrophobicContact CD2-CD2 4.27Å; L501-L503 HydrophobicContact CG-CD2 4.17Å; L501-W512 HydrophobicContact CD2-CZ2 4.46Å; L501-V636 HydrophobicContact CD2-CG1 4.18Å; L501-V636 HydrophobicContact CD2-CG2 3.58Å; L501-V646 HydrophobicContact CB-CG1 4.32Å; L501-F648 HydrophobicContact CD1-CD2 3.46Å; L501-F648 VanDerWaalsContact CD1-CD2 3.46Å; L501-F648 HydrophobicContact CD1-CE2 3.72Å; L501-F648 WeakPolarHBondContact CD1-O 3.28Å; L501-F648 HydrophobicContact CD2-CE2 4.18Å; L501-V651 HydrophobicContact CD1-CG2 3.98Å
502	E	96	Very high	94.5	Very high	42 Å²	42	54.1 Å²	54.1	20%	0.196	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	134.3	176.1	-166.7	-179.4	150.2	0	0	110.7	K649 T650 V651 K804 K830	E502-K649 PolarHBondContact N-O 2.92Å; E502-T650 HydrophobicContact CB-CG2 4.39Å; E502-T650 CarbonylContact O-C 3.56Å; E502-T650 WeakPolarHBondContact O-CA 3.49Å; E502-V651 PolarHBondContact O-N 2.94Å; E502-K804 IonicContact OE2-NZ 2.62Å; E502-K804 PolarHBondContact OE2-NZ 3.48Å; E502-K830 IonicContact OE1-NZ 3.42Å; E502-K830 PolarHBondContact OE1-NZ 3.33Å; E502-K830 IonicContact OE2-NZ 3.73Å
503	L	95.5	Very high	94.4	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.2	175.6	-57.9	-176.9	0	0	0	109.7	V496 L501 P505 Q508 W512 V651	V496-L503 HydrophobicContact CG1-CD1 4.09Å; V496-L503 HydrophobicContact CG1-CG 4.2Å; V496-L503 HydrophobicContact CG2-CD1 4.1Å; V496-L503 HydrophobicContact CG2-CG 4.18Å; L501-L503 HydrophobicContact CD1-CD2 4.48Å; L501-L503 HydrophobicContact CD2-CD2 4.27Å; L501-L503 HydrophobicContact CG-CD2 4.17Å; L503-P505 CarbonylContact O-C 3.56Å; L503-Q508 HydrophobicContact CB-CB 4.38Å; L503-W512 HydrophobicContact CD1-CB 3.8Å; L503-W512 HydrophobicContact CD1-CD2 4.05Å; L503-W512 HydrophobicContact CD1-CE3 4.24Å; L503-W512 HydrophobicContact CD1-CG 3.89Å; L503-V651 HydrophobicContact CD2-CB 3.73Å; L503-V651 HydrophobicContact CD2-CG1 4.42Å; L503-V651 HydrophobicContact CD2-CG2 3.97Å
504	F	93.9	Very high	94.1	Very high	32 Å²	32	58.5 Å²	58.5	14%	0.14	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.5	174.5	-178.4	-90	0	0	0	110.7	V651 I652 L653 K830 W831	F504-V651 PolarHBondContact N-O 3.35Å; F504-I652 HydrophobicContact CD1-CG2 4.08Å; F504-L653 PolarHBondContact O-N 3.09Å; F504-K830 VanDerWaalsContact CE2-O 3.25Å; F504-K830 WeakPolarHBondContact CE2-O 3.5Å; F504-K830 WeakPolarHBondContact CZ-O 3.15Å; F504-W831 HydrophobicContact CD1-CB 4.01Å; F504-W831 AromaticContact CD1-CD1 3.87Å; F504-W831 HydrophobicContact CD1-CG 4.29Å; F504-W831 AromaticContact CD2-CD1 3.66Å; F504-W831 HydrophobicContact CE1-CB 3.61Å; F504-W831 HydrophobicContact CE1-CG 4.34Å; F504-W831 HydrophobicContact CE2-CB 4.27Å; F504-W831 HydrophobicContact CG-CB 4.49Å; F504-W831 AromaticContact CG-CD1 3.56Å; F504-W831 HydrophobicContact CG-CG 4.39Å; F504-W831 HydrophobicContact CZ-CB 3.76Å; F504-W831 HydrophobicContact CZ-CG 4.48Å
505	P	92.3	Very high	93.5	Very high	14 Å²	14	55.9 Å²	55.9	9%	0.091	28%	0.279	C	S	.	.	S	Bend	cis	-73.9	160.4	-3.4	-5.8	21.3	0	0	0	112.7	L503 N507 Q508 S712	L503-P505 CarbonylContact O-C 3.56Å; P505-N507 WeakPolarHBondContact CB-OD1 3.41Å; P505-N507 PolarHBondContact O-N 3.13Å; P505-N507 PolarHBondContact O-OD1 2.87Å; P505-Q508 VanDerWaalsContact O-CB 3.29Å; P505-Q508 WeakPolarHBondContact O-CB 3.18Å; P505-Q508 WeakPolarHBondContact O-CG 3.13Å; P505-Q508 PolarHBondContact O-N 3Å; P505-S712 VanDerWaalsContact CG-CA 3.49Å; P505-S712 VanDerWaalsContact CG-CB 3.47Å
506	E	90.7	Very high	93.2	Very high	111 Å²	111	56 Å²	56	52%	0.519	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.7	-171.3	-169.6	63.3	-154.3	0	0	113.6	Q508 K509	E506-Q508 PolarHBondContact O-N 3.06Å; E506-Q508 VanDerWaalsContact O-N 3.15Å; E506-K509 WeakPolarHBondContact O-CB 3.24Å; E506-K509 PolarHBondContact O-N 3.4Å; E506-K509 VanDerWaalsContact O-N 3.09Å; E506-K509 VanDerWaalsContact OE1-CD 3.3Å; E506-K509 WeakPolarHBondContact OE1-CD 3.25Å; E506-K509 IonicContact OE1-NZ 2.7Å
507	N	89.9	Confident	92.7	Very high	88 Å²	88	59.7 Å²	59.7	47%	0.471	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.5	176.5	66.9	-29	0	0	0	113.4	P505 K509 L510	P505-N507 WeakPolarHBondContact CB-OD1 3.41Å; P505-N507 PolarHBondContact O-N 3.13Å; P505-N507 PolarHBondContact O-OD1 2.87Å; N507-K509 PolarHBondContact O-N 2.95Å; N507-L510 PolarHBondContact O-N 3.36Å
508	Q	92.1	Very high	92.1	Very high	8 Å²	8	59.2 Å²	59.2	4%	0.037	30%	0.301	C	S	.	.	H	α-helix	trans	-66.7	-20.2	177	-62.3	-70.2	-13.9	0	0	112.2	L503 P505 E506 L510 I511 W512 L653	L503-Q508 HydrophobicContact CB-CB 4.38Å; P505-Q508 VanDerWaalsContact O-CB 3.29Å; P505-Q508 WeakPolarHBondContact O-CB 3.18Å; P505-Q508 WeakPolarHBondContact O-CG 3.13Å; P505-Q508 PolarHBondContact O-N 3Å; E506-Q508 PolarHBondContact O-N 3.06Å; E506-Q508 VanDerWaalsContact O-N 3.15Å; Q508-L510 VanDerWaalsContact C-N 3.34Å; Q508-L510 PolarHBondContact O-N 3.3Å; Q508-I511 PolarHBondContact O-N 2.78Å; Q508-W512 VanDerWaalsContact O-CB 3.25Å; Q508-W512 WeakPolarHBondContact O-CB 3.49Å; Q508-W512 PolarHBondContact O-N 3.38Å; Q508-L653 HydrophobicContact CB-CD1 4.04Å; Q508-L653 HydrophobicContact CG-CD1 3.76Å
509	K	93.5	Very high	91.3	Very high	44 Å²	44	62.2 Å²	62.2	19%	0.191	32%	0.317	C	S	.	.	H	α-helix	trans	-62.8	-38.1	174.3	-175.2	168.4	-179.2	171	0	113	V496 E506 N507 S513	V496-K509 HydrophobicContact CG1-CB 4.47Å; V496-K509 HydrophobicContact CG1-CD 4.06Å; V496-K509 HydrophobicContact CG1-CG 3.78Å; E506-K509 WeakPolarHBondContact O-CB 3.24Å; E506-K509 PolarHBondContact O-N 3.4Å; E506-K509 VanDerWaalsContact O-N 3.09Å; E506-K509 VanDerWaalsContact OE1-CD 3.3Å; E506-K509 WeakPolarHBondContact OE1-CD 3.25Å; E506-K509 IonicContact OE1-NZ 2.7Å; N507-K509 PolarHBondContact O-N 2.95Å; K509-S513 WeakPolarHBondContact O-CB 3.4Å; K509-S513 PolarHBondContact O-N 2.92Å; K509-S513 PolarHBondContact O-OG 2.75Å
510	L	92.4	Very high	90.5	Very high	135 Å²	135	60.3 Å²	60.3	71%	0.707	31%	0.306	S	S	*	.	H	α-helix	trans	-68.1	-45.3	176.2	-68.3	175.9	0	0	0	110.8	N507 Q508 W512 S513 E514	N507-L510 PolarHBondContact O-N 3.36Å; Q508-L510 VanDerWaalsContact C-N 3.34Å; Q508-L510 PolarHBondContact O-N 3.3Å; L510-W512 PolarHBondContact O-N 3.21Å; L510-S513 PolarHBondContact O-N 3.41Å; L510-E514 WeakPolarHBondContact O-CB 3.47Å; L510-E514 PolarHBondContact O-N 3.18Å
511	I	91.4	Very high	89.6	Confident	73 Å²	73	56.9 Å²	56.9	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-61.3	-45	178.4	-66.1	169.6	0	0	0	110.5	Q508 S513 E514 W515 F629	Q508-I511 PolarHBondContact O-N 2.78Å; I511-S513 PolarHBondContact O-N 2.99Å; I511-E514 PolarHBondContact O-N 3.01Å; I511-W515 PolarHBondContact O-N 3.34Å; I511-W515 VanDerWaalsContact O-N 3.17Å; I511-F629 HydrophobicContact CG2-CE2 3.76Å; I511-F629 HydrophobicContact CG2-CZ 3.38Å; I511-F629 WeakPolarHBondContact O-CZ 3.41Å
512	W	94	Very high	89	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-56	-49.1	173.1	179.4	-94	0	0	0	112.6	A492 V496 L501 L503 Q508 L510 W515 L516 L628 I632 A633 V636	A492-W512 HydrophobicContact CB-CZ2 3.94Å; A492-W512 PolarHBondContact O-NE1 3.27Å; V496-W512 HydrophobicContact CG2-CD2 4.4Å; V496-W512 HydrophobicContact CG2-CG 4.41Å; V496-W512 HydrophobicContact CG2-CZ2 4.15Å; L501-W512 HydrophobicContact CD2-CZ2 4.46Å; L503-W512 HydrophobicContact CD1-CB 3.8Å; L503-W512 HydrophobicContact CD1-CD2 4.05Å; L503-W512 HydrophobicContact CD1-CE3 4.24Å; L503-W512 HydrophobicContact CD1-CG 3.89Å; Q508-W512 VanDerWaalsContact O-CB 3.25Å; Q508-W512 WeakPolarHBondContact O-CB 3.49Å; Q508-W512 PolarHBondContact O-N 3.38Å; L510-W512 PolarHBondContact O-N 3.21Å; W512-W515 PolarHBondContact O-N 3.03Å; W512-L516 HydrophobicContact CD2-CD1 3.81Å; W512-L516 HydrophobicContact CE3-CD1 4.47Å; W512-L516 HydrophobicContact CG-CD1 4.2Å; W512-L516 HydrophobicContact CH2-CD1 4.44Å; W512-L516 HydrophobicContact CZ2-CD1 3.74Å; W512-L516 PolarHBondContact O-N 3.43Å; W512-L628 HydrophobicContact CE3-CD1 3.79Å; W512-L628 HydrophobicContact CE3-CD2 4.4Å; W512-L628 HydrophobicContact CE3-CG 4.08Å; W512-L628 HydrophobicContact CZ3-CD1 3.75Å; W512-L628 HydrophobicContact CZ3-CG 4.33Å; W512-I632 HydrophobicContact CZ3-CG2 4.36Å; W512-A633 HydrophobicContact CH2-CB 4.02Å; W512-A633 HydrophobicContact CZ3-CB 3.86Å; W512-V636 HydrophobicContact CH2-CB 4.15Å; W512-V636 HydrophobicContact CH2-CG2 3.95Å; W512-V636 HydrophobicContact CZ2-CB 4.39Å; W512-V636 HydrophobicContact CZ2-CG1 4.32Å; W512-V636 HydrophobicContact CZ2-CG2 4.43Å
513	S	93.1	Very high	88.8	Confident	24 Å²	24	64.2 Å²	64.2	17%	0.168	32%	0.324	C	S	.	.	H	α-helix	trans	-67.4	-41.5	-176.7	-55.6	0	0	0	0	112.1	H497 K509 L510 I511 K517	H497-S513 PolarHBondContact CE1-OG 2.88Å; K509-S513 WeakPolarHBondContact O-CB 3.4Å; K509-S513 PolarHBondContact O-N 2.92Å; K509-S513 PolarHBondContact O-OG 2.75Å; L510-S513 PolarHBondContact O-N 3.41Å; I511-S513 PolarHBondContact O-N 2.99Å; S513-K517 VanDerWaalsContact O-CG 3.27Å; S513-K517 WeakPolarHBondContact O-CG 3.48Å; S513-K517 PolarHBondContact O-N 2.63Å
514	E	90.2	Very high	88.7	Confident	101 Å²	101	65.1 Å²	65.1	47%	0.472	33%	0.327	S	S	.	.	H	α-helix	trans	-60.8	-45.3	177.7	-171.1	62.5	-134.9	0	0	111.9	L510 I511 K517 N520	L510-E514 WeakPolarHBondContact O-CB 3.47Å; L510-E514 PolarHBondContact O-N 3.18Å; I511-E514 PolarHBondContact O-N 3.01Å; E514-K517 WeakPolarHBondContact O-CB 3.45Å; E514-K517 WeakPolarHBondContact O-CG 3.48Å; E514-K517 PolarHBondContact O-N 3.41Å; E514-K517 WeakPolarHBondContact OE1-CE 3.3Å; E514-K517 IonicContact OE1-NZ 3.25Å; E514-K517 PolarHBondContact OE1-NZ 3.21Å; E514-K517 WeakPolarHBondContact OE2-CE 3.13Å; E514-K517 IonicContact OE2-NZ 2.76Å; E514-K517 PolarHBondContact OE2-NZ 2.7Å; E514-N520 PolarHBondContact O-ND2 2.93Å; E514-N520 VanDerWaalsContact O-ND2 3.13Å
515	W	84.6	Confident	88.8	Confident	95 Å²	95	64.7 Å²	64.7	36%	0.36	33%	0.328	S	S	.	.	H	α-helix	trans	-70.4	-40	-175.7	-164.9	89.5	0	0	0	112.2	I271 I511 W512 K517 N520 F629	I271-W515 HydrophobicContact CD1-CH2 4.48Å; I271-W515 HydrophobicContact CD1-CZ2 3.85Å; I511-W515 PolarHBondContact O-N 3.34Å; I511-W515 VanDerWaalsContact O-N 3.17Å; W512-W515 PolarHBondContact O-N 3.03Å; W515-K517 VanDerWaalsContact C-N 3.26Å; W515-K517 PolarHBondContact O-N 3.2Å; W515-N520 WeakPolarHBondContact O-CB 3.24Å; W515-F629 HydrophobicContact CB-CD1 3.82Å; W515-F629 HydrophobicContact CB-CE1 3.2Å; W515-F629 HydrophobicContact CB-CE2 4.36Å; W515-F629 HydrophobicContact CB-CZ 3.47Å; W515-F629 VanDerWaalsContact CB-CZ 3.47Å; W515-F629 AromaticContact CD1-CZ 3.98Å; W515-F629 HydrophobicContact CD2-CB 4.14Å; W515-F629 AromaticContact CD2-CD1 3.37Å; W515-F629 HydrophobicContact CD2-CD1 3.37Å; W515-F629 AromaticContact CD2-CE1 3.8Å; W515-F629 HydrophobicContact CD2-CE1 3.8Å; W515-F629 AromaticContact CD2-CG 3.78Å; W515-F629 HydrophobicContact CD2-CG 3.78Å; W515-F629 HydrophobicContact CD2-CZ 4.48Å; W515-F629 AromaticContact CE2-CD1 3.98Å; W515-F629 AromaticContact CE2-CG 3.89Å; W515-F629 HydrophobicContact CE3-CB 4.44Å; W515-F629 AromaticContact CE3-CD1 3.59Å; W515-F629 HydrophobicContact CE3-CD1 3.59Å; W515-F629 HydrophobicContact CE3-CE1 4.14Å; W515-F629 HydrophobicContact CE3-CG 4.28Å; W515-F629 AromaticContact CG-CD1 3.47Å; W515-F629 HydrophobicContact CG-CD1 3.47Å; W515-F629 VanDerWaalsContact CG-CD1 3.47Å; W515-F629 HydrophobicContact CG-CD2 4.27Å; W515-F629 AromaticContact CG-CE1 3.39Å; W515-F629 HydrophobicContact CG-CE1 3.39Å; W515-F629 HydrophobicContact CG-CE2 4.17Å; W515-F629 AromaticContact CG-CG 3.9Å; W515-F629 HydrophobicContact CG-CG 3.9Å; W515-F629 AromaticContact CG-CZ 3.7Å; W515-F629 HydrophobicContact CG-CZ 3.7Å; W515-F629 HydrophobicContact CH2-CB 4.31Å; W515-F629 HydrophobicContact CZ2-CB 3.98Å; W515-F629 HydrophobicContact CZ2-CG 4.49Å; W515-F629 HydrophobicContact CZ3-CD1 4.34Å
516	L	89.9	Confident	89	Confident	4 Å²	4	64 Å²	64	2%	0.021	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	12.7	179.9	-65.1	173.6	0	0	0	114	A489 A492 V493 W512 H521 M637	A489-L516 HydrophobicContact CB-CD2 3.94Å; A492-L516 HydrophobicContact CB-CD1 4.13Å; V493-L516 HydrophobicContact CG2-CB 3.32Å; V493-L516 HydrophobicContact CG2-CD1 3.76Å; V493-L516 HydrophobicContact CG2-CG 4.19Å; W512-L516 HydrophobicContact CD2-CD1 3.81Å; W512-L516 HydrophobicContact CE3-CD1 4.47Å; W512-L516 HydrophobicContact CG-CD1 4.2Å; W512-L516 HydrophobicContact CH2-CD1 4.44Å; W512-L516 HydrophobicContact CZ2-CD1 3.74Å; W512-L516 PolarHBondContact O-N 3.43Å; L516-H521 PolarHBondContact O-NE2 3.33Å; L516-M637 HydrophobicContact CD2-CE 3.28Å
517	K	87.6	Confident	89.3	Confident	81 Å²	81	58.7 Å²	58.7	35%	0.352	30%	0.299	S	S	.	.	S	Bend	trans	-60.9	147.7	176.3	-78.1	-175.7	-178.5	169	0	112.1	S513 E514 W515 T519 N520 H521	S513-K517 VanDerWaalsContact O-CG 3.27Å; S513-K517 WeakPolarHBondContact O-CG 3.48Å; S513-K517 PolarHBondContact O-N 2.63Å; E514-K517 WeakPolarHBondContact O-CB 3.45Å; E514-K517 WeakPolarHBondContact O-CG 3.48Å; E514-K517 PolarHBondContact O-N 3.41Å; E514-K517 WeakPolarHBondContact OE1-CE 3.3Å; E514-K517 IonicContact OE1-NZ 3.25Å; E514-K517 PolarHBondContact OE1-NZ 3.21Å; E514-K517 WeakPolarHBondContact OE2-CE 3.13Å; E514-K517 IonicContact OE2-NZ 2.76Å; E514-K517 PolarHBondContact OE2-NZ 2.7Å; W515-K517 VanDerWaalsContact C-N 3.26Å; W515-K517 PolarHBondContact O-N 3.2Å; K517-T519 PolarHBondContact O-N 3.45Å; K517-T519 VanDerWaalsContact O-N 3.08Å; K517-N520 PolarHBondContact O-N 3.15Å; K517-H521 PolarHBondContact O-CD2 3.08Å; K517-H521 PolarHBondContact O-NE2 3.24Å
518	P	81.9	Confident	89.6	Confident	89 Å²	89	55 Å²	55	58%	0.578	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-50.8	-34.5	177	-30	36.4	0	0	0	115.9	N520 H521	P518-N520 PolarHBondContact O-N 2.95Å; P518-H521 VanDerWaalsContact CA-CE1 3.48Å; P518-H521 WeakPolarHBondContact CA-CE1 3.38Å; P518-H521 WeakPolarHBondContact O-CB 3.4Å; P518-H521 PolarHBondContact O-N 3.41Å
519	T	79.4	Confident	89.7	Confident	121 Å²	121	56 Å²	56	74%	0.742	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-68.6	-21.6	179.3	53.3	0	0	0	0	113.7	K517	K517-T519 PolarHBondContact O-N 3.45Å; K517-T519 VanDerWaalsContact O-N 3.08Å
520	N	78.3	Confident	89.7	Confident	85 Å²	85	54.1 Å²	54.1	46%	0.455	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-100.6	1.1	-178.3	-65.8	-18.6	0	0	0	112.3	E514 W515 K517 P518 K522	E514-N520 PolarHBondContact O-ND2 2.93Å; E514-N520 VanDerWaalsContact O-ND2 3.13Å; W515-N520 WeakPolarHBondContact O-CB 3.24Å; K517-N520 PolarHBondContact O-N 3.15Å; P518-N520 PolarHBondContact O-N 2.95Å; N520-K522 PolarHBondContact O-N 3.2Å
521	H	78	Confident	89.9	Confident	42 Å²	42	49.8 Å²	49.8	19%	0.194	25%	0.25	C	C	.	.			trans	-65.5	105.6	-179.9	-67.9	177.3	0	0	0	109.8	K486 L516 K517 P518	K486-H521 WeakPolarHBondContact CG-ND1 3.31Å; L516-H521 PolarHBondContact O-NE2 3.33Å; K517-H521 PolarHBondContact O-CD2 3.08Å; K517-H521 PolarHBondContact O-NE2 3.24Å; P518-H521 VanDerWaalsContact CA-CE1 3.48Å; P518-H521 WeakPolarHBondContact CA-CE1 3.38Å; P518-H521 WeakPolarHBondContact O-CB 3.4Å; P518-H521 PolarHBondContact O-N 3.41Å
522	K	84.2	Confident	90.1	Very high	136 Å²	136	46.6 Å²	46.6	59%	0.591	23%	0.233	S	C	*	.			trans	-110.3	139.2	165.1	-68.5	-172.5	178.3	-172.7	0	108.8	D270 T485 N520	D270-K522 IonicContact OD2-NZ 3.19Å; D270-K522 PolarHBondContact OD2-NZ 3.35Å; T485-K522 PolarHBondContact OG1-O 3.3Å; N520-K522 PolarHBondContact O-N 3.2Å
523	D	92.5	Very high	90.2	Very high	61 Å²	61	47 Å²	47	33%	0.326	24%	0.237	S	C	.	.			trans	-67.6	137.2	173.2	-69.6	-19.7	0	0	0	109.9	Y252 F482 V483 R484 T485 C525	Y252-D523 HydrophobicContact CE1-CB 4.48Å; Y252-D523 WeakPolarHBondContact OH-CB 3.47Å; Y252-D523 PolarHBondContact OH-OD2 2.92Å; F482-D523 HydrophobicContact CB-CB 4.26Å; F482-D523 HydrophobicContact CD1-CB 4.3Å; V483-D523 WeakPolarHBondContact O-CA 3.35Å; R484-D523 WeakPolarHBondContact CA-OD1 3.45Å; T485-D523 PolarHBondContact N-OD1 2.97Å; D523-C525 PolarHBondContact O-N 3.4Å
524	W	93.6	Very high	90.5	Very high	23 Å²	23	46.1 Å²	46.1	9%	0.087	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	110.5	-169.4	171.2	19.6	0	0	0	109.5	F482 V483 T485 I526 D591 W593 F594 R634 L638	F482-W524 CarbonylContact C-O 3.44Å; F482-W524 VanDerWaalsContact CA-O 3.28Å; F482-W524 WeakPolarHBondContact CA-O 3.4Å; V483-W524 HydrophobicContact CB-CB 4.42Å; V483-W524 HydrophobicContact CB-CE3 4.42Å; V483-W524 HydrophobicContact CG2-CE3 4.46Å; V483-W524 PolarHBondContact N-O 3.39Å; V483-W524 PolarHBondContact O-N 3.08Å; T485-W524 HydrophobicContact CG2-CB 3.66Å; W524-I526 HydrophobicContact CD2-CG2 3.63Å; W524-I526 HydrophobicContact CE3-CG2 4.1Å; W524-I526 HydrophobicContact CG-CG2 3.92Å; W524-I526 HydrophobicContact CZ2-CG2 4.06Å; W524-I526 PolarHBondContact O-N 2.61Å; W524-I526 VanDerWaalsContact O-N 3.15Å; W524-D591 HydrophobicContact CZ2-CB 4.47Å; W524-D591 PolarHBondContact NE1-OD2 2.92Å; W524-W593 HydrophobicContact CH2-CB 4.43Å; W524-W593 HydrophobicContact CZ2-CB 3.84Å; W524-F594 VanDerWaalsContact CH2-CA 3.45Å; W524-F594 HydrophobicContact CH2-CB 3.9Å; W524-F594 HydrophobicContact CH2-CD2 4.07Å; W524-F594 HydrophobicContact CH2-CG 4.47Å; W524-F594 HydrophobicContact CZ2-CB 3.94Å; W524-F594 HydrophobicContact CZ3-CD2 4.22Å; W524-R634 HydrophobicContact CE3-CG 4.36Å; W524-R634 HydrophobicContact CH2-CB 4.2Å; W524-R634 HydrophobicContact CH2-CG 3.98Å; W524-R634 HydrophobicContact CZ3-CB 4.22Å; W524-R634 HydrophobicContact CZ3-CG 3.91Å; W524-R634 VanDerWaalsContact NE1-NH2 3.11Å; W524-L638 HydrophobicContact CZ3-CD1 4.39Å
525	C	95.3	Very high	90.7	Very high	23 Å²	23	44.2 Å²	44.2	16%	0.155	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	110.7	171	-178.2	0	0	0	0	110.3	F482 D523 R528	F482-C525 HydrophobicContact CD1-CB 3.96Å; F482-C525 HydrophobicContact CE1-CB 3.59Å; F482-C525 HydrophobicContact CZ-CB 4.28Å; D523-C525 PolarHBondContact O-N 3.4Å; C525-R528 PolarHBondContact O-NH1 2.99Å; C525-R528 PolarHBondContact O-NH2 3.28Å; C525-R528 PolarHBondContact SG-NH1 3.42Å; C525-R528 VanDerWaalsContact SG-NH1 3.42Å
526	I	96.3	Very high	91.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.			trans	-104.2	-4.3	-176	54.4	160.5	0	0	0	113.8	F242 I251 W481 V483 W524 L590 D591 F594	F242-I526 HydrophobicContact CD2-CD1 4.19Å; F242-I526 HydrophobicContact CE2-CD1 3.81Å; I251-I526 HydrophobicContact CD1-CD1 4.01Å; I251-I526 HydrophobicContact CG1-CD1 4.24Å; W481-I526 HydrophobicContact CB-CD1 4.26Å; W481-I526 HydrophobicContact CB-CG1 3.89Å; W481-I526 WeakPolarHBondContact O-CG1 3.37Å; W481-I526 PolarHBondContact O-N 3.13Å; V483-I526 HydrophobicContact CG2-CD1 3.79Å; V483-I526 HydrophobicContact CG2-CG1 4.19Å; V483-I526 HydrophobicContact CG2-CG2 3.65Å; W524-I526 HydrophobicContact CD2-CG2 3.63Å; W524-I526 HydrophobicContact CE3-CG2 4.1Å; W524-I526 HydrophobicContact CG-CG2 3.92Å; W524-I526 HydrophobicContact CZ2-CG2 4.06Å; W524-I526 PolarHBondContact O-N 2.61Å; W524-I526 VanDerWaalsContact O-N 3.15Å; I526-L590 HydrophobicContact CB-CD2 4.41Å; I526-L590 HydrophobicContact CD1-CD2 3.95Å; I526-L590 HydrophobicContact CG1-CD2 4.45Å; I526-L590 CarbonylContact O-C 3.56Å; I526-L590 WeakPolarHBondContact O-CA 3.45Å; I526-D591 PolarHBondContact O-N 3.26Å; I526-F594 HydrophobicContact CD1-CE2 4.43Å; I526-F594 HydrophobicContact CG2-CB 4.42Å; I526-F594 HydrophobicContact CG2-CD2 3.91Å; I526-F594 HydrophobicContact CG2-CG 4.48Å
527	S	96.6	Very high	91.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	145.3	176.4	48.2	0	0	0	0	112.5	Q480 W481 V589	Q480-S527 WeakPolarHBondContact CA-OG 3.46Å; Q480-S527 WeakPolarHBondContact CB-OG 3.22Å; Q480-S527 PolarHBondContact OE1-O 2.96Å; Q480-S527 PolarHBondContact OE1-OG 3.47Å; W481-S527 PolarHBondContact N-OG 3.09Å; S527-V589 CarbonylContact C-O 3.56Å
528	R	95.7	Very high	92.1	Very high	9 Å²	9	35.8 Å²	35.8	3%	0.034	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	138.2	-179.3	-59.6	-68.9	179.6	-86.4	-6.2	109.8	A267 C525 L530 D588 V589 D591	A267-R528 WeakPolarHBondContact O-CD 3.08Å; C525-R528 PolarHBondContact O-NH1 2.99Å; C525-R528 PolarHBondContact O-NH2 3.28Å; C525-R528 PolarHBondContact SG-NH1 3.42Å; C525-R528 VanDerWaalsContact SG-NH1 3.42Å; R528-L530 HydrophobicContact CB-CD1 3.75Å; R528-L530 HydrophobicContact CB-CG 3.94Å; R528-L530 HydrophobicContact CG-CD1 4.29Å; R528-L530 PolarHBondContact O-N 3.37Å; R528-D588 WeakPolarHBondContact O-CB 3.3Å; R528-V589 HydrophobicContact CB-CG2 4.16Å; R528-V589 PolarHBondContact N-O 3.13Å; R528-V589 PolarHBondContact O-N 3.15Å; R528-D591 IonicContact NE-OD1 2.99Å; R528-D591 IonicContact NH2-OD1 3.88Å; R528-D591 PolarHBondContact NH2-OD1 3.1Å; R528-D591 IonicContact NH2-OD2 3.99Å; R528-D591 PolarHBondContact NH2-OD2 3.48Å; R528-D591 VanDerWaalsContact NH2-OD2 3.07Å
529	Q	94.9	Very high	92.8	Very high	31 Å²	31	32.2 Å²	32.2	15%	0.145	17%	0.168	C	C	.	.	S	Bend	trans	-84.4	50.3	-179.8	-66.9	64	44.9	0	0	110.9	R187 W260 Q265 T266 D588	R187-Q529 PolarHBondContact NH1-O 3.27Å; R187-Q529 PolarHBondContact NH2-O 3.09Å; W260-Q529 HydrophobicContact CH2-CB 4.17Å; W260-Q529 HydrophobicContact CH2-CG 3.92Å; W260-Q529 HydrophobicContact CZ3-CG 4.12Å; W260-Q529 VanDerWaalsContact CZ3-OE1 3.24Å; Q265-Q529 WeakPolarHBondContact O-CB 3.34Å; T266-Q529 PolarHBondContact OG1-N 2.99Å; T266-Q529 VanDerWaalsContact OG1-N 3.1Å; Q529-D588 WeakPolarHBondContact CG-OD1 3.05Å; Q529-D588 PolarHBondContact NE2-OD2 3.07Å
530	L	94.7	Very high	93.4	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	15%	0.146	C	C	.	.			trans	-105.1	166.1	-179.7	-59.5	168.3	0	0	0	109.9	I147 Q150 R187 T266 R528 V589	I147-L530 HydrophobicContact CB-CD1 3.75Å; I147-L530 HydrophobicContact CB-CD2 4.45Å; I147-L530 HydrophobicContact CG1-CD1 4.29Å; I147-L530 HydrophobicContact CG1-CD2 4.14Å; Q150-L530 VanDerWaalsContact NE2-CD2 3.3Å; R187-L530 VanDerWaalsContact NH1-C 3.34Å; R187-L530 VanDerWaalsContact NH1-CA 3.31Å; T266-L530 HydrophobicContact CG2-CD2 3.91Å; R528-L530 HydrophobicContact CB-CD1 3.75Å; R528-L530 HydrophobicContact CB-CG 3.94Å; R528-L530 HydrophobicContact CG-CD1 4.29Å; R528-L530 PolarHBondContact O-N 3.37Å; L530-V589 HydrophobicContact CB-CG2 3.63Å; L530-V589 HydrophobicContact CD1-CG2 4.37Å; L530-V589 HydrophobicContact CG-CG2 4.47Å
531	Y	95.3	Very high	94	Very high	44 Å²	44	26.6 Å²	26.6	17%	0.173	13%	0.132	C	C	.	.	S	Bend	trans	-99.1	-23.6	170.2	-68.7	-5.3	0	0	0	111.8	R187 R192 F195 I196	R187-Y531 VanDerWaalsContact CD-CD2 3.45Å; R187-Y531 HydrophobicContact CG-CD2 3.13Å; R187-Y531 HydrophobicContact CG-CE2 3.28Å; R187-Y531 HydrophobicContact CG-CG 3.83Å; R192-Y531 VanDerWaalsContact CA-CD2 3.41Å; R192-Y531 VanDerWaalsContact CA-CE2 3.47Å; R192-Y531 HydrophobicContact CB-CD2 3.85Å; R192-Y531 HydrophobicContact CB-CE2 3.85Å; R192-Y531 HydrophobicContact CB-CG 4.2Å; R192-Y531 HydrophobicContact CG-CD1 4.39Å; R192-Y531 HydrophobicContact CG-CD2 4.13Å; R192-Y531 HydrophobicContact CG-CG 4.03Å; F195-Y531 HydrophobicContact CB-CD2 4.31Å; F195-Y531 AromaticContact CD1-CD2 3.93Å; F195-Y531 HydrophobicContact CD1-CD2 3.93Å; F195-Y531 HydrophobicContact CD1-CG 4.44Å; F195-Y531 HydrophobicContact CG-CD2 4.43Å; I196-Y531 WeakPolarHBondContact CD1-O 3.37Å
532	W	96.5	Very high	94.4	Very high	5 Å²	5	27.7 Å²	27.7	2%	0.019	14%	0.138	C	C	.	.	S	Bend	trans	-101.4	113.7	-178.7	-175.3	-111.5	0	0	0	111.9	I107 H144 Q150 I196 I199 W200 F228 L230	I107-W532 HydrophobicContact CD1-CZ2 4.11Å; H144-W532 HydrophobicContact CB-CZ2 4.12Å; H144-W532 AromaticContact CD2-NE1 3.93Å; H144-W532 PolarHBondContact O-NE1 3.02Å; Q150-W532 HydrophobicContact CB-CB 4.45Å; Q150-W532 VanDerWaalsContact OE1-N 3.12Å; I196-W532 HydrophobicContact CG2-CE3 4.38Å; I196-W532 HydrophobicContact CG2-CZ3 4.23Å; I199-W532 HydrophobicContact CB-CD2 4.09Å; I199-W532 HydrophobicContact CB-CE3 3.88Å; I199-W532 HydrophobicContact CB-CZ3 4.12Å; I199-W532 HydrophobicContact CD1-CB 3.58Å; I199-W532 HydrophobicContact CD1-CD2 4.14Å; I199-W532 HydrophobicContact CD1-CE3 4.31Å; I199-W532 HydrophobicContact CD1-CG 3.84Å; I199-W532 HydrophobicContact CG2-CD2 3.42Å; I199-W532 VanDerWaalsContact CG2-CD2 3.42Å; I199-W532 HydrophobicContact CG2-CE3 3.65Å; I199-W532 HydrophobicContact CG2-CG 3.96Å; I199-W532 HydrophobicContact CG2-CH2 3.86Å; I199-W532 HydrophobicContact CG2-CZ2 3.62Å; I199-W532 HydrophobicContact CG2-CZ3 3.86Å; W200-W532 AromaticContact CD1-CZ3 3.89Å; W200-W532 AromaticContact CD2-CH2 3.78Å; W200-W532 HydrophobicContact CD2-CH2 3.78Å; W200-W532 HydrophobicContact CD2-CZ3 4.1Å; W200-W532 AromaticContact CE2-CH2 3.67Å; W200-W532 AromaticContact CE2-CZ3 3.77Å; W200-W532 HydrophobicContact CE3-CH2 4.15Å; W200-W532 HydrophobicContact CG-CH2 4.22Å; W200-W532 HydrophobicContact CG-CZ3 4.18Å; W200-W532 HydrophobicContact CH2-CH2 4.33Å; W200-W532 AromaticContact CZ2-CH2 3.97Å; W200-W532 HydrophobicContact CZ2-CH2 3.97Å; W200-W532 HydrophobicContact CZ2-CZ3 4.31Å; W200-W532 HydrophobicContact CZ3-CH2 4.41Å; W200-W532 AromaticContact NE1-CZ3 3.63Å; F228-W532 HydrophobicContact CE1-CZ2 4.37Å; F228-W532 HydrophobicContact CZ-CZ2 4.03Å; L230-W532 HydrophobicContact CD1-CD2 4.04Å; L230-W532 HydrophobicContact CD1-CE3 4.26Å; L230-W532 HydrophobicContact CD1-CH2 3.65Å; L230-W532 HydrophobicContact CD1-CZ2 3.39Å; L230-W532 HydrophobicContact CD1-CZ3 4.08Å
533	G	96.6	Very high	94.2	Very high	9 Å²	9	24.1 Å²	24.1	9%	0.093	13%	0.13	C	C	.	.	S	Bend	trans	152.5	-178.8	-177.6	0	0	0	0	0	110.5	P535	G533-P535 WeakPolarHBondContact O-CD 3.47Å
534	H	97.4	Very high	93.3	Very high	5 Å²	5	24.5 Å²	24.5	2%	0.023	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-75.1	122	175.9	-64.7	85.8	0	0	0	109.7	T229 V238 V589 L590 S595	T229-H534 PolarHBondContact O-CE1 3.33Å; T229-H534 PolarHBondContact O-NE2 2.98Å; V238-H534 HydrophobicContact CG1-CB 3.98Å; H534-V589 CarbonylContact O-C 3.54Å; H534-V589 WeakPolarHBondContact O-CA 3.49Å; H534-V589 WeakPolarHBondContact O-CB 3Å; H534-L590 HydrophobicContact CB-CB 4.33Å; H534-L590 HydrophobicContact CB-CD1 4.09Å; H534-L590 PolarHBondContact O-N 2.88Å; H534-S595 WeakPolarHBondContact CE1-CB 3.3Å; H534-S595 VanDerWaalsContact ND1-CB 3.28Å; H534-S595 WeakPolarHBondContact ND1-CB 3.26Å
535	P	96.4	Very high	91.6	Very high	62 Å²	62	29.1 Å²	29.1	40%	0.403	16%	0.164	S	C	.	.	B	Isolated β-bridge	trans	-57.4	141.2	171	-22.3	34.5	0	0	0	110.4	G533	G533-P535 WeakPolarHBondContact O-CD 3.47Å
536	I	97.7	Very high	89.6	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-67.6	128.4	178.2	-62.3	174.1	0	0	0	108.5	F242 W481 A538 Q585 D586 D588 L590	F242-I536 HydrophobicContact CE1-CG2 4.4Å; F242-I536 HydrophobicContact CE2-CG2 3.79Å; F242-I536 HydrophobicContact CZ-CG2 3.63Å; W481-I536 HydrophobicContact CG-CD1 4.23Å; I536-A538 HydrophobicContact CG2-CB 3.83Å; I536-A538 PolarHBondContact O-N 3.46Å; I536-Q585 WeakPolarHBondContact O-CG 3.14Å; I536-Q585 PolarHBondContact O-NE2 2.94Å; I536-D586 HydrophobicContact CB-CB 4.08Å; I536-D586 HydrophobicContact CG2-CB 4.4Å; I536-D588 HydrophobicContact CD1-CB 3.82Å; I536-D588 PolarHBondContact N-O 3.5Å; I536-L590 HydrophobicContact CG1-CD2 3.82Å; I536-L590 HydrophobicContact CG1-CG 3.94Å
537	P	97.1	Very high	87.2	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.019	23%	0.229	C	C	.	.	S	Bend	trans	-79.8	51.7	-179	34.5	-36.8	0	0	0	111.5	T239 F242 L243 V560 A561	T239-P537 HydrophobicContact CG2-CB 3.92Å; T239-P537 HydrophobicContact CG2-CG 4.35Å; F242-P537 HydrophobicContact CB-CG 3.71Å; F242-P537 HydrophobicContact CD1-CG 3.53Å; F242-P537 HydrophobicContact CD2-CG 4.29Å; F242-P537 HydrophobicContact CE1-CG 4.19Å; F242-P537 HydrophobicContact CG-CG 3.58Å; L243-P537 HydrophobicContact CD1-CB 4.35Å; L243-P537 HydrophobicContact CD1-CG 4.31Å; P537-V560 WeakPolarHBondContact O-CA 3.31Å; P537-V560 WeakPolarHBondContact O-CG1 3.38Å; P537-A561 WeakPolarHBondContact CB-O 3.43Å; P537-A561 PolarHBondContact O-N 3.17Å; P537-A561 VanDerWaalsContact O-N 3.16Å
538	A	96.7	Very high	84.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.4	176.9	0	0	0	0	0	109.6	W481 I536 W558 I559 V560 Q585 D586	W481-A538 HydrophobicContact CH2-CB 3.89Å; W481-A538 HydrophobicContact CZ2-CB 3.53Å; I536-A538 HydrophobicContact CG2-CB 3.83Å; I536-A538 PolarHBondContact O-N 3.46Å; A538-W558 HydrophobicContact CB-CE3 3.93Å; A538-W558 HydrophobicContact CB-CZ3 4.4Å; A538-I559 CarbonylContact C-O 3.26Å; A538-I559 WeakPolarHBondContact CA-O 3.27Å; A538-V560 HydrophobicContact CB-CG2 4.16Å; A538-Q585 CarbonylContact O-C 3.55Å; A538-Q585 WeakPolarHBondContact O-CA 3.39Å; A538-D586 PolarHBondContact O-N 3.44Å
539	Y	95.4	Very high	82.1	Confident	13 Å²	13	52.3 Å²	52.3	5%	0.051	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.1	-174.8	-56.6	-87.6	0	0	0	110	W558 I559 A561 S563 I564 A567 I584 Q585	Y539-W558 VanDerWaalsContact C-CE3 3.47Å; Y539-W558 CarbonylContact O-C 3.45Å; Y539-W558 WeakPolarHBondContact O-CA 3.25Å; Y539-I559 WeakPolarHBondContact CD2-O 3.42Å; Y539-I559 PolarHBondContact N-O 3.08Å; Y539-I559 PolarHBondContact O-N 3.23Å; Y539-A561 HydrophobicContact CD2-CB 4.21Å; Y539-A561 HydrophobicContact CE2-CB 4.01Å; Y539-S563 WeakPolarHBondContact OH-CA 3.48Å; Y539-I564 HydrophobicContact CD1-CD1 3.49Å; Y539-I564 VanDerWaalsContact CD1-CD1 3.49Å; Y539-I564 HydrophobicContact CE1-CB 4.04Å; Y539-I564 HydrophobicContact CE1-CD1 3.69Å; Y539-I564 HydrophobicContact CE1-CG1 4.48Å; Y539-I564 HydrophobicContact CG-CD1 4.3Å; Y539-I564 PolarHBondContact OH-N 2.76Å; Y539-A567 HydrophobicContact CD2-CB 3.65Å; Y539-A567 HydrophobicContact CE2-CB 4.18Å; Y539-A567 HydrophobicContact CG-CB 4Å; Y539-I584 CarbonylContact C-O 3.59Å; Y539-I584 WeakPolarHBondContact CA-O 3.48Å; Y539-Q585 HydrophobicContact CD1-CB 3.75Å; Y539-Q585 HydrophobicContact CD1-CG 4.14Å; Y539-Q585 HydrophobicContact CE1-CB 3.69Å; Y539-Q585 HydrophobicContact CE1-CG 3.84Å
540	K	92.7	Very high	79.6	Confident	65 Å²	65	57.7 Å²	57.7	28%	0.283	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	129.2	175.9	-172.2	172.4	-178.8	165.8	0	109.5	I542 D556 W558 L583 I584	K540-I542 HydrophobicContact CG-CG1 4.43Å; K540-D556 WeakPolarHBondContact CE-OD1 3.36Å; K540-D556 IonicContact NZ-OD1 2.61Å; K540-D556 PolarHBondContact NZ-OD1 3.49Å; K540-D556 IonicContact NZ-OD2 3.8Å; K540-W558 HydrophobicContact CB-CD2 4.29Å; K540-W558 HydrophobicContact CB-CE3 3.89Å; K540-W558 HydrophobicContact CB-CH2 3.78Å; K540-W558 HydrophobicContact CB-CZ2 4.17Å; K540-W558 HydrophobicContact CB-CZ3 3.61Å; K540-W558 HydrophobicContact CD-CH2 4.41Å; K540-W558 HydrophobicContact CD-CZ2 4.23Å; K540-W558 HydrophobicContact CG-CH2 4.48Å; K540-W558 HydrophobicContact CG-CZ2 4.41Å; K540-W558 VanDerWaalsContact N-CE3 3.34Å; K540-L583 WeakPolarHBondContact O-CA 3.3Å; K540-I584 PolarHBondContact N-O 3.04Å; K540-I584 PolarHBondContact O-N 3.3Å; K540-I584 VanDerWaalsContact O-N 3.11Å
541	V	90.5	Very high	76.8	Confident	24 Å²	24	65.2 Å²	65.2	15%	0.145	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	116.7	173.7	-170.4	0	0	0	0	109.1	R557 I559 L571 L583	V541-R557 HydrophobicContact CB-CB 4.33Å; V541-R557 HydrophobicContact CG2-CB 4.47Å; V541-R557 HydrophobicContact CG2-CG 4.23Å; V541-R557 WeakPolarHBondContact CG2-O 3.36Å; V541-R557 PolarHBondContact N-O 3.44Å; V541-I559 HydrophobicContact CG2-CD1 3.56Å; V541-I559 HydrophobicContact CG2-CG1 3.82Å; V541-L571 HydrophobicContact CG1-CD1 4.27Å; V541-L571 HydrophobicContact CG1-CD2 4.47Å; V541-L571 HydrophobicContact CG2-CD1 4.15Å; V541-L571 HydrophobicContact CG2-CD2 4.25Å; V541-L583 HydrophobicContact CB-CD2 4.43Å; V541-L583 HydrophobicContact CG2-CD2 3.83Å
542	I	86.4	Confident	74.1	Confident	65 Å²	65	68.9 Å²	68.9	33%	0.333	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	113.7	174.6	-57.4	174.5	0	0	0	107.2	K540 Y581 Q582 I584	K540-I542 HydrophobicContact CG-CG1 4.43Å; I542-Y581 CarbonylContact O-C 3.52Å; I542-Y581 WeakPolarHBondContact O-CA 3.36Å; I542-Q582 HydrophobicContact CB-CB 4.32Å; I542-Q582 PolarHBondContact N-O 3.47Å; I542-Q582 PolarHBondContact O-N 3.27Å; I542-I584 HydrophobicContact CD1-CD1 3.42Å; I542-I584 VanDerWaalsContact CD1-CD1 3.42Å; I542-I584 HydrophobicContact CD1-CG1 3.89Å
543	S	80.6	Confident	71.4	Confident	60 Å²	60	75.4 Å²	75.4	42%	0.42	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	134.3	179.3	-175.6	0	0	0	0	111.5	N545 D580	S543-N545 PolarHBondContact O-N 3.45Å; S543-N545 PolarHBondContact OG-N 3.29Å; S543-D580 CarbonylContact C-O 3.53Å; S543-D580 WeakPolarHBondContact CA-O 3.5Å; S543-D580 PolarHBondContact OG-O 3.32Å
544	S	72.1	Confident	68.9	Low	70 Å²	70	81.8 Å²	81.8	49%	0.49	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-22.8	174.5	-50.4	0	0	0	0	112.8	N579 D580 Y581	S544-N579 PolarHBondContact OG-O 2.92Å; S544-D580 PolarHBondContact N-O 3.04Å; S544-D580 PolarHBondContact OG-O 3.23Å; S544-Y581 PolarHBondContact OG-N 3.23Å
545	N	59.3	Low	66.8	Low	119 Å²	119	86.7 Å²	86.7	64%	0.636	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	10.6	-169	-79	-20.3	0	0	0	115.4	S543 K547	S543-N545 PolarHBondContact O-N 3.45Å; S543-N545 PolarHBondContact OG-N 3.29Å; N545-K547 PolarHBondContact O-N 3.46Å
546	S	53.2	Low	65.3	Low	92 Å²	92	85.6 Å²	85.6	64%	0.643	49%	0.486	S	S	*	.			trans	-75.6	73.5	173.1	64.1	0	0	0	0	111.8
547	K	46.5	Very low	64.8	Low	204 Å²	204	92.3 Å²	92.3	89%	0.887	51%	0.512	S	S	*	.			trans	-106.9	3.4	159.5	-84.2	-171	179.8	177.7	0	113.1	N545 T549	N545-K547 PolarHBondContact O-N 3.46Å; K547-T549 PolarHBondContact O-N 3.06Å
548	S	42.5	Very low	64.5	Low	100 Å²	100	94.1 Å²	94.1	70%	0.699	52%	0.518	S	S	*	.			trans	-86.5	99.7	170.8	58.1	0	0	0	0	110.7	N550	S548-N550 PolarHBondContact O-N 2.83Å
549	T	42	Very low	64.3	Low	124 Å²	124	94.8 Å²	94.8	76%	0.761	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	110.8	157.8	47	0	0	0	0	109.7	K547	K547-T549 PolarHBondContact O-N 3.06Å
550	N	42.5	Very low	64.3	Low	144 Å²	144	94.9 Å²	94.9	77%	0.77	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	144.6	0.9	142	-71.7	-9.4	0	0	0	117.8	S548	S548-N550 PolarHBondContact O-N 2.83Å
551	D	34.9	Very low	64.5	Low	161 Å²	161	91.8 Å²	91.8	86%	0.861	51%	0.51	S	S	*	.			trans	-96.7	104.6	165.2	-76.8	-24	0	0	0	109.8	D553	D551-D553 VanDerWaalsContact C-N 3.27Å; D551-D553 PolarHBondContact O-N 3.3Å
552	C	38.7	Very low	64.7	Low	121 Å²	121	96.4 Å²	96.4	82%	0.818	53%	0.525	S	S	*	.			trans	-87.7	37.4	-172.7	45.9	0	0	0	0	113.3	D554	C552-D554 PolarHBondContact O-N 3.42Å
553	D	39.8	Very low	65.1	Low	143 Å²	143	95.5 Å²	95.5	77%	0.765	53%	0.525	S	S	*	.			trans	-90.9	80.4	166.3	-89.3	-16.4	0	0	0	109.4	D551 T555	D551-D553 VanDerWaalsContact C-N 3.27Å; D551-D553 PolarHBondContact O-N 3.3Å; D553-T555 PolarHBondContact O-N 3.02Å
554	D	43.8	Very low	65.7	Low	142 Å²	142	96 Å²	96	76%	0.759	52%	0.522	S	S	*	.			trans	-67.5	44.1	165.8	-165.1	25.3	0	0	0	111.1	C552 D556	C552-D554 PolarHBondContact O-N 3.42Å; D554-D556 VanDerWaalsContact C-N 3.3Å; D554-D556 PolarHBondContact O-N 3.27Å
555	T	53.5	Low	66.7	Low	109 Å²	109	98 Å²	98	67%	0.669	53%	0.527	S	S	*	.			trans	-75.9	90.9	170.3	57.7	0	0	0	0	107.1	D553 R557	D553-T555 PolarHBondContact O-N 3.02Å; T555-R557 PolarHBondContact O-N 3.49Å
556	D	66.5	Low	68.4	Low	38 Å²	38	94.8 Å²	94.8	20%	0.203	51%	0.508	C	S	.	.			trans	-46.4	102.2	167.5	-75.9	-31	0	0	0	109.5	K479 K540 D554 W558	K479-D556 IonicContact NZ-OD2 3.98Å; K479-D556 PolarHBondContact NZ-OD2 3.2Å; K540-D556 WeakPolarHBondContact CE-OD1 3.36Å; K540-D556 IonicContact NZ-OD1 2.61Å; K540-D556 PolarHBondContact NZ-OD1 3.49Å; K540-D556 IonicContact NZ-OD2 3.8Å; D554-D556 VanDerWaalsContact C-N 3.3Å; D554-D556 PolarHBondContact O-N 3.27Å; D556-W558 VanDerWaalsContact O-CD1 3.25Å; D556-W558 PolarHBondContact O-N 2.89Å
557	R	85.7	Confident	70.3	Confident	142 Å²	142	90.4 Å²	90.4	54%	0.536	48%	0.478	S	S	.	.			trans	-78.8	109.1	177	-174	175.5	177.4	136.4	-5.1	108	V541 T555	V541-R557 HydrophobicContact CB-CB 4.33Å; V541-R557 HydrophobicContact CG2-CB 4.47Å; V541-R557 HydrophobicContact CG2-CG 4.23Å; V541-R557 WeakPolarHBondContact CG2-O 3.36Å; V541-R557 PolarHBondContact N-O 3.44Å; T555-R557 PolarHBondContact O-N 3.49Å
558	W	91.5	Very high	72.4	Confident	41 Å²	41	82.9 Å²	82.9	16%	0.155	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	142.9	175.7	-68.9	96.7	0	0	0	111.4	W481 A538 Y539 K540 D556 D586	W481-W558 HydrophobicContact CH2-CB 4.28Å; W481-W558 HydrophobicContact CH2-CG 4.35Å; W481-W558 HydrophobicContact CZ2-CD2 4.07Å; W481-W558 HydrophobicContact CZ2-CE3 4.31Å; W481-W558 HydrophobicContact CZ2-CG 4.16Å; A538-W558 HydrophobicContact CB-CE3 3.93Å; A538-W558 HydrophobicContact CB-CZ3 4.4Å; Y539-W558 VanDerWaalsContact C-CE3 3.47Å; Y539-W558 CarbonylContact O-C 3.45Å; Y539-W558 WeakPolarHBondContact O-CA 3.25Å; K540-W558 HydrophobicContact CB-CD2 4.29Å; K540-W558 HydrophobicContact CB-CE3 3.89Å; K540-W558 HydrophobicContact CB-CH2 3.78Å; K540-W558 HydrophobicContact CB-CZ2 4.17Å; K540-W558 HydrophobicContact CB-CZ3 3.61Å; K540-W558 HydrophobicContact CD-CH2 4.41Å; K540-W558 HydrophobicContact CD-CZ2 4.23Å; K540-W558 HydrophobicContact CG-CH2 4.48Å; K540-W558 HydrophobicContact CG-CZ2 4.41Å; K540-W558 VanDerWaalsContact N-CE3 3.34Å; D556-W558 VanDerWaalsContact O-CD1 3.25Å; D556-W558 PolarHBondContact O-N 2.89Å; W558-D586 HydrophobicContact CH2-CB 3.83Å; W558-D586 HydrophobicContact CZ3-CB 3.63Å
559	I	92.8	Very high	74.7	Confident	14 Å²	14	82.6 Å²	82.6	7%	0.072	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	120.5	172.8	-60	-179.1	0	0	0	108	A538 Y539 V541 A567 I570 L571	A538-I559 CarbonylContact C-O 3.26Å; A538-I559 WeakPolarHBondContact CA-O 3.27Å; Y539-I559 WeakPolarHBondContact CD2-O 3.42Å; Y539-I559 PolarHBondContact N-O 3.08Å; Y539-I559 PolarHBondContact O-N 3.23Å; V541-I559 HydrophobicContact CG2-CD1 3.56Å; V541-I559 HydrophobicContact CG2-CG1 3.82Å; I559-A567 HydrophobicContact CG2-CB 4.09Å; I559-I570 HydrophobicContact CG2-CB 4.34Å; I559-I570 HydrophobicContact CG2-CD1 4.03Å; I559-I570 HydrophobicContact CG2-CG2 4.1Å; I559-L571 HydrophobicContact CD1-CD1 3.77Å; I559-L571 HydrophobicContact CD1-CD2 3.41Å; I559-L571 VanDerWaalsContact CD1-CD2 3.41Å; I559-L571 HydrophobicContact CD1-CG 3.28Å
560	V	95.6	Very high	77	Confident	15 Å²	15	80 Å²	80	9%	0.091	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	123.8	174.5	178.9	0	0	0	0	108.2	F242 L243 Y246 W481 P537 A538	F242-V560 HydrophobicContact CD1-CG1 3.57Å; F242-V560 HydrophobicContact CE1-CB 4.41Å; F242-V560 HydrophobicContact CE1-CG1 3.59Å; F242-V560 HydrophobicContact CE1-CG2 3.87Å; L243-V560 HydrophobicContact CD1-CG1 3.81Å; L243-V560 HydrophobicContact CG-CG1 3.93Å; Y246-V560 HydrophobicContact CD1-CB 3.65Å; Y246-V560 HydrophobicContact CD1-CG1 4.08Å; Y246-V560 HydrophobicContact CD1-CG2 3.73Å; Y246-V560 HydrophobicContact CD2-CB 4.49Å; Y246-V560 HydrophobicContact CD2-CG2 3.7Å; Y246-V560 HydrophobicContact CE1-CB 3.83Å; Y246-V560 HydrophobicContact CE1-CG2 3.72Å; Y246-V560 HydrophobicContact CE2-CG2 3.69Å; Y246-V560 HydrophobicContact CG-CB 4Å; Y246-V560 HydrophobicContact CG-CG1 4.13Å; Y246-V560 HydrophobicContact CG-CG2 3.71Å; W481-V560 HydrophobicContact CH2-CG2 4.36Å; P537-V560 WeakPolarHBondContact O-CA 3.31Å; P537-V560 WeakPolarHBondContact O-CG1 3.38Å; A538-V560 HydrophobicContact CB-CG2 4.16Å
561	A	96.3	Very high	79.1	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	38%	0.383	C	S	.	.			trans	-154.3	157.4	-176.3	0	0	0	0	0	110.5	P537 Y539 S563 E566 A567 I570	P537-A561 WeakPolarHBondContact CB-O 3.43Å; P537-A561 PolarHBondContact O-N 3.17Å; P537-A561 VanDerWaalsContact O-N 3.16Å; Y539-A561 HydrophobicContact CD2-CB 4.21Å; Y539-A561 HydrophobicContact CE2-CB 4.01Å; A561-S563 VanDerWaalsContact C-N 3.26Å; A561-S563 PolarHBondContact O-N 3.08Å; A561-E566 HydrophobicContact CB-CB 4.06Å; A561-E566 HydrophobicContact CB-CG 4.04Å; A561-A567 HydrophobicContact CB-CB 3.86Å; A561-I570 HydrophobicContact CB-CD1 4.11Å
562	R	95.1	Very high	81.5	Confident	120 Å²	120	68.6 Å²	68.6	45%	0.453	36%	0.361	S	S	.	.	S	Bend	trans	-71.7	-24.9	-179.6	-52.8	174.6	175.1	80.8	-0.5	112.8	T239 E240 L243 E566	T239-R562 VanDerWaalsContact CG2-CA 3.5Å; T239-R562 HydrophobicContact CG2-CB 3.86Å; T239-R562 HydrophobicContact CG2-CG 4.09Å; E240-R562 IonicContact OE1-NH2 2.79Å; E240-R562 PolarHBondContact OE1-NH2 2.75Å; E240-R562 IonicContact OE2-CZ 3.89Å; E240-R562 IonicContact OE2-NE 2.81Å; E240-R562 PolarHBondContact OE2-NE 3.02Å; E240-R562 IonicContact OE2-NH2 3.75Å; E240-R562 PolarHBondContact OE2-NH2 3.05Å; L243-R562 HydrophobicContact CD1-CG 4.29Å; L243-R562 HydrophobicContact CD2-CG 3.47Å; L243-R562 VanDerWaalsContact CD2-CG 3.47Å; R562-E566 WeakPolarHBondContact CA-OE2 3.26Å; R562-E566 WeakPolarHBondContact CB-OE2 3.3Å; R562-E566 WeakPolarHBondContact CG-OE2 3.28Å; R562-E566 PolarHBondContact N-OE2 2.97Å; R562-E566 IonicContact NH1-OE1 3.99Å; R562-E566 PolarHBondContact NH1-OE1 3.22Å; R562-E566 IonicContact NH1-OE2 2.78Å
563	S	94.9	Very high	83.8	Confident	47 Å²	47	69.6 Å²	69.6	33%	0.329	36%	0.359	S	S	.	.	S	Bend	trans	-149.9	163.9	179.3	68.7	0	0	0	0	111.3	Y539 A561 N565 E566 A567	Y539-S563 WeakPolarHBondContact OH-CA 3.48Å; A561-S563 VanDerWaalsContact C-N 3.26Å; A561-S563 PolarHBondContact O-N 3.08Å; S563-N565 PolarHBondContact O-N 2.78Å; S563-E566 PolarHBondContact O-N 3.39Å; S563-E566 PolarHBondContact OG-N 2.98Å; S563-A567 PolarHBondContact O-N 3.03Å
564	I	93.2	Very high	85.8	Confident	70 Å²	70	65.8 Å²	65.8	36%	0.359	34%	0.343	S	S	.	.	H	α-helix	trans	-58.6	-36.2	173.7	-169.2	67	0	0	0	111.7	Y539 A567 V568 L583	Y539-I564 HydrophobicContact CD1-CD1 3.49Å; Y539-I564 VanDerWaalsContact CD1-CD1 3.49Å; Y539-I564 HydrophobicContact CE1-CB 4.04Å; Y539-I564 HydrophobicContact CE1-CD1 3.69Å; Y539-I564 HydrophobicContact CE1-CG1 4.48Å; Y539-I564 HydrophobicContact CG-CD1 4.3Å; Y539-I564 PolarHBondContact OH-N 2.76Å; I564-A567 WeakPolarHBondContact O-CB 3.4Å; I564-A567 PolarHBondContact O-N 3.33Å; I564-V568 WeakPolarHBondContact O-CG2 3.3Å; I564-V568 PolarHBondContact O-N 3.16Å; I564-L583 HydrophobicContact CD1-CB 3.57Å; I564-L583 HydrophobicContact CD1-CD1 3.91Å; I564-L583 HydrophobicContact CD1-CG 4.41Å
565	N	93.5	Very high	87.5	Confident	112 Å²	112	61.7 Å²	61.7	60%	0.599	34%	0.335	S	S	*	.	H	α-helix	trans	-67.2	-40.2	178.9	-66.4	-19	0	0	0	111.5	S563 A567 V568 N569	S563-N565 PolarHBondContact O-N 2.78Å; N565-A567 VanDerWaalsContact C-N 3.35Å; N565-V568 PolarHBondContact O-N 2.62Å; N565-N569 VanDerWaalsContact O-CG 3.26Å; N565-N569 PolarHBondContact O-N 3.26Å; N565-N569 PolarHBondContact O-ND2 2.89Å
566	E	94.6	Very high	88.6	Confident	52 Å²	52	59.1 Å²	59.1	24%	0.243	32%	0.316	C	S	.	.	H	α-helix	trans	-65.7	-39.2	174.3	-175.7	-179.7	-170.6	0	0	111.2	A561 R562 S563 V568 N569 I570	A561-E566 HydrophobicContact CB-CB 4.06Å; A561-E566 HydrophobicContact CB-CG 4.04Å; R562-E566 WeakPolarHBondContact CA-OE2 3.26Å; R562-E566 WeakPolarHBondContact CB-OE2 3.3Å; R562-E566 WeakPolarHBondContact CG-OE2 3.28Å; R562-E566 PolarHBondContact N-OE2 2.97Å; R562-E566 IonicContact NH1-OE1 3.99Å; R562-E566 PolarHBondContact NH1-OE1 3.22Å; R562-E566 IonicContact NH1-OE2 2.78Å; S563-E566 PolarHBondContact O-N 3.39Å; S563-E566 PolarHBondContact OG-N 2.98Å; E566-V568 PolarHBondContact O-N 3.06Å; E566-N569 PolarHBondContact O-N 2.95Å; E566-I570 HydrophobicContact CG-CD1 4.19Å; E566-I570 VanDerWaalsContact O-CG1 3.29Å; E566-I570 WeakPolarHBondContact O-CG1 3.43Å; E566-I570 PolarHBondContact O-N 3.45Å
567	A	92.2	Very high	88.9	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.5	-40.1	174.1	0	0	0	0	0	112.8	Y539 I559 A561 S563 I564 N565 I570 L571 L583	Y539-A567 HydrophobicContact CD2-CB 3.65Å; Y539-A567 HydrophobicContact CE2-CB 4.18Å; Y539-A567 HydrophobicContact CG-CB 4Å; I559-A567 HydrophobicContact CG2-CB 4.09Å; A561-A567 HydrophobicContact CB-CB 3.86Å; S563-A567 PolarHBondContact O-N 3.03Å; I564-A567 WeakPolarHBondContact O-CB 3.4Å; I564-A567 PolarHBondContact O-N 3.33Å; N565-A567 VanDerWaalsContact C-N 3.35Å; A567-I570 PolarHBondContact O-N 2.78Å; A567-L571 PolarHBondContact O-N 2.84Å; A567-L571 VanDerWaalsContact O-N 3.11Å; A567-L583 HydrophobicContact CB-CD1 3.76Å
568	V	91.3	Very high	88.2	Confident	46 Å²	46	60.9 Å²	60.9	28%	0.279	34%	0.338	S	S	.	.	H	α-helix	trans	-62.2	-42.8	173.8	168.6	0	0	0	0	111.1	I564 N565 E566 L571 T572 L583	I564-V568 WeakPolarHBondContact O-CG2 3.3Å; I564-V568 PolarHBondContact O-N 3.16Å; N565-V568 PolarHBondContact O-N 2.62Å; E566-V568 PolarHBondContact O-N 3.06Å; V568-L571 PolarHBondContact O-N 3.35Å; V568-T572 WeakPolarHBondContact O-CB 3.46Å; V568-T572 PolarHBondContact O-N 3.32Å; V568-T572 PolarHBondContact O-OG1 2.83Å; V568-L583 HydrophobicContact CG2-CD1 3.75Å
569	N	90.7	Very high	87.2	Confident	93 Å²	93	65.3 Å²	65.3	50%	0.497	37%	0.365	S	S	.	.	H	α-helix	trans	-63.9	-45.5	177.8	-68.3	-15.8	0	0	0	111.4	N565 E566 L571 T572 D573	N565-N569 VanDerWaalsContact O-CG 3.26Å; N565-N569 PolarHBondContact O-N 3.26Å; N565-N569 PolarHBondContact O-ND2 2.89Å; E566-N569 PolarHBondContact O-N 2.95Å; N569-L571 VanDerWaalsContact C-N 3.25Å; N569-L571 PolarHBondContact O-N 3.24Å; N569-T572 PolarHBondContact O-N 2.9Å; N569-T572 VanDerWaalsContact O-N 3.12Å; N569-D573 WeakPolarHBondContact O-CB 3.36Å; N569-D573 VanDerWaalsContact O-CG 3.28Å; N569-D573 PolarHBondContact O-N 3.05Å
570	I	89.8	Confident	86.6	Confident	70 Å²	70	67 Å²	67	36%	0.359	37%	0.374	S	S	.	.	H	α-helix	trans	-56.8	-40.3	176	-68	164.6	0	0	0	111.2	I559 A561 E566 A567 S574	I559-I570 HydrophobicContact CG2-CB 4.34Å; I559-I570 HydrophobicContact CG2-CD1 4.03Å; I559-I570 HydrophobicContact CG2-CG2 4.1Å; A561-I570 HydrophobicContact CB-CD1 4.11Å; E566-I570 HydrophobicContact CG-CD1 4.19Å; E566-I570 VanDerWaalsContact O-CG1 3.29Å; E566-I570 WeakPolarHBondContact O-CG1 3.43Å; E566-I570 PolarHBondContact O-N 3.45Å; A567-I570 PolarHBondContact O-N 2.78Å; I570-S574 WeakPolarHBondContact O-CB 3.38Å; I570-S574 PolarHBondContact O-N 3.14Å; I570-S574 VanDerWaalsContact O-N 3.15Å; I570-S574 PolarHBondContact O-OG 3.39Å
571	L	86.6	Confident	86	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-68.4	-44.1	175.7	-81.8	176	0	0	0	113	V541 I559 A567 V568 N569 D573 S574 G575 L576 Y581 L583	V541-L571 HydrophobicContact CG1-CD1 4.27Å; V541-L571 HydrophobicContact CG1-CD2 4.47Å; V541-L571 HydrophobicContact CG2-CD1 4.15Å; V541-L571 HydrophobicContact CG2-CD2 4.25Å; I559-L571 HydrophobicContact CD1-CD1 3.77Å; I559-L571 HydrophobicContact CD1-CD2 3.41Å; I559-L571 VanDerWaalsContact CD1-CD2 3.41Å; I559-L571 HydrophobicContact CD1-CG 3.28Å; A567-L571 PolarHBondContact O-N 2.84Å; A567-L571 VanDerWaalsContact O-N 3.11Å; V568-L571 PolarHBondContact O-N 3.35Å; N569-L571 VanDerWaalsContact C-N 3.25Å; N569-L571 PolarHBondContact O-N 3.24Å; L571-D573 VanDerWaalsContact C-N 3.32Å; L571-D573 PolarHBondContact O-N 3.44Å; L571-S574 WeakPolarHBondContact CA-OG 3.27Å; L571-S574 CarbonylContact O-C 3.59Å; L571-S574 PolarHBondContact O-N 2.8Å; L571-S574 VanDerWaalsContact O-N 3.1Å; L571-S574 PolarHBondContact O-OG 3.3Å; L571-G575 PolarHBondContact O-N 3.15Å; L571-L576 HydrophobicContact CB-CB 4.5Å; L571-L576 HydrophobicContact CD2-CB 4.43Å; L571-L576 HydrophobicContact CD2-CD1 3.77Å; L571-L576 PolarHBondContact O-N 2.83Å; L571-L576 VanDerWaalsContact O-N 3.13Å; L571-Y581 HydrophobicContact CB-CE1 4.01Å; L571-Y581 HydrophobicContact CB-CE2 4.43Å; L571-Y581 HydrophobicContact CD1-CD1 4.13Å; L571-Y581 HydrophobicContact CD1-CD2 3.51Å; L571-Y581 HydrophobicContact CD1-CE1 3.95Å; L571-Y581 HydrophobicContact CD1-CE2 3.32Å; L571-Y581 HydrophobicContact CD1-CG 3.91Å; L571-Y581 HydrophobicContact CG-CE2 4.5Å; L571-L583 HydrophobicContact CD1-CD1 4.06Å; L571-L583 HydrophobicContact CD1-CD2 3.72Å; L571-L583 HydrophobicContact CD1-CG 4.01Å
572	T	86.2	Confident	85.6	Confident	66 Å²	66	72.7 Å²	72.7	41%	0.405	40%	0.399	S	S	.	.	H	α-helix	trans	-61	-43.8	179	-54.3	0	0	0	0	110.6	V568 N569 S574 G575	V568-T572 WeakPolarHBondContact O-CB 3.46Å; V568-T572 PolarHBondContact O-N 3.32Å; V568-T572 PolarHBondContact O-OG1 2.83Å; N569-T572 PolarHBondContact O-N 2.9Å; N569-T572 VanDerWaalsContact O-N 3.12Å; T572-S574 VanDerWaalsContact C-N 3.25Å; T572-S574 PolarHBondContact O-N 3.48Å; T572-G575 PolarHBondContact O-N 2.7Å
573	D	85.8	Confident	85.3	Confident	142 Å²	142	68.2 Å²	68.2	76%	0.759	38%	0.384	S	S	*	.	H	α-helix	trans	-65.4	-28.5	176	-68.6	-16.9	0	0	0	112.4	N569 L571 G575	N569-D573 WeakPolarHBondContact O-CB 3.36Å; N569-D573 VanDerWaalsContact O-CG 3.28Å; N569-D573 PolarHBondContact O-N 3.05Å; L571-D573 VanDerWaalsContact C-N 3.32Å; L571-D573 PolarHBondContact O-N 3.44Å; D573-G575 PolarHBondContact O-N 2.65Å
574	S	83.4	Confident	85.2	Confident	62 Å²	62	69.6 Å²	69.6	43%	0.434	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	0	173.4	75.5	0	0	0	0	114.4	I570 L571 T572	I570-S574 WeakPolarHBondContact O-CB 3.38Å; I570-S574 PolarHBondContact O-N 3.14Å; I570-S574 VanDerWaalsContact O-N 3.15Å; I570-S574 PolarHBondContact O-OG 3.39Å; L571-S574 WeakPolarHBondContact CA-OG 3.27Å; L571-S574 CarbonylContact O-C 3.59Å; L571-S574 PolarHBondContact O-N 2.8Å; L571-S574 VanDerWaalsContact O-N 3.1Å; L571-S574 PolarHBondContact O-OG 3.3Å; T572-S574 VanDerWaalsContact C-N 3.25Å; T572-S574 PolarHBondContact O-N 3.48Å
575	G	79.4	Confident	85.3	Confident	57 Å²	57	69.8 Å²	69.8	59%	0.588	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.3	10	176.9	0	0	0	0	0	115.7	L571 T572 D573	L571-G575 PolarHBondContact O-N 3.15Å; T572-G575 PolarHBondContact O-N 2.7Å; D573-G575 PolarHBondContact O-N 2.65Å
576	L	75.8	Confident	85.4	Confident	54 Å²	54	64.9 Å²	64.9	28%	0.283	36%	0.36	S	S	.	.			trans	-93.1	125.3	175.9	-82.7	138.7	0	0	0	110.6	L571 Y581	L571-L576 HydrophobicContact CB-CB 4.5Å; L571-L576 HydrophobicContact CD2-CB 4.43Å; L571-L576 HydrophobicContact CD2-CD1 3.77Å; L571-L576 PolarHBondContact O-N 2.83Å; L571-L576 VanDerWaalsContact O-N 3.13Å; L576-Y581 HydrophobicContact CB-CD1 4.15Å; L576-Y581 HydrophobicContact CB-CE1 4.1Å
577	H	73.7	Confident	85.3	Confident	136 Å²	136	65.9 Å²	65.9	63%	0.63	37%	0.371	S	S	*	.			trans	-84.3	150.7	178	-66.4	-70.1	0	0	0	111.8	N579 D580 Y581	H577-N579 PolarHBondContact O-N 3.28Å; H577-D580 WeakPolarHBondContact O-CB 3.17Å; H577-D580 PolarHBondContact O-N 2.84Å; H577-Y581 VanDerWaalsContact O-CD1 3.25Å; H577-Y581 WeakPolarHBondContact O-CD1 3.42Å; H577-Y581 WeakPolarHBondContact O-CE1 3.48Å
578	S	69.4	Low	85.5	Confident	81 Å²	81	67.2 Å²	67.2	57%	0.566	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-19.8	-173.9	58.3	0	0	0	0	115.5	D580	S578-D580 VanDerWaalsContact C-N 3.35Å
579	N	72.1	Confident	85.8	Confident	134 Å²	134	65.1 Å²	65.1	72%	0.717	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-15.2	178.9	-66.9	-9.9	0	0	0	112.8	S544 H577	S544-N579 PolarHBondContact OG-O 2.92Å; H577-N579 PolarHBondContact O-N 3.28Å
580	D	79.5	Confident	86.2	Confident	51 Å²	51	60.8 Å²	60.8	27%	0.273	34%	0.342	S	S	.	.	S	Bend	trans	-92.6	-5.7	-171.1	-59.5	-40.5	0	0	0	113.5	S543 S544 H577 S578	S543-D580 CarbonylContact C-O 3.53Å; S543-D580 WeakPolarHBondContact CA-O 3.5Å; S543-D580 PolarHBondContact OG-O 3.32Å; S544-D580 PolarHBondContact N-O 3.04Å; S544-D580 PolarHBondContact OG-O 3.23Å; H577-D580 WeakPolarHBondContact O-CB 3.17Å; H577-D580 PolarHBondContact O-N 2.84Å; S578-D580 VanDerWaalsContact C-N 3.35Å
581	Y	82.9	Confident	86.4	Confident	19 Å²	19	57.8 Å²	57.8	8%	0.075	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	157.7	-176.3	63.9	-94.2	0	0	0	114.1	I542 S544 L571 L576 H577 L583	I542-Y581 CarbonylContact O-C 3.52Å; I542-Y581 WeakPolarHBondContact O-CA 3.36Å; S544-Y581 PolarHBondContact OG-N 3.23Å; L571-Y581 HydrophobicContact CB-CE1 4.01Å; L571-Y581 HydrophobicContact CB-CE2 4.43Å; L571-Y581 HydrophobicContact CD1-CD1 4.13Å; L571-Y581 HydrophobicContact CD1-CD2 3.51Å; L571-Y581 HydrophobicContact CD1-CE1 3.95Å; L571-Y581 HydrophobicContact CD1-CE2 3.32Å; L571-Y581 HydrophobicContact CD1-CG 3.91Å; L571-Y581 HydrophobicContact CG-CE2 4.5Å; L576-Y581 HydrophobicContact CB-CD1 4.15Å; L576-Y581 HydrophobicContact CB-CE1 4.1Å; H577-Y581 VanDerWaalsContact O-CD1 3.25Å; H577-Y581 WeakPolarHBondContact O-CD1 3.42Å; H577-Y581 WeakPolarHBondContact O-CE1 3.48Å; Y581-L583 HydrophobicContact CD2-CG 3.98Å; Y581-L583 HydrophobicContact CE2-CD1 4.12Å; Y581-L583 HydrophobicContact CE2-CG 3.98Å
582	Q	87.3	Confident	86.8	Confident	115 Å²	115	58.3 Å²	58.3	54%	0.537	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.2	164	-177.5	179.6	6.7	0	0	109	I542 I584	I542-Q582 HydrophobicContact CB-CB 4.32Å; I542-Q582 PolarHBondContact N-O 3.47Å; I542-Q582 PolarHBondContact O-N 3.27Å; Q582-I584 HydrophobicContact CG-CG1 4.24Å
583	L	89.9	Confident	87.2	Confident	25 Å²	25	56.8 Å²	56.8	13%	0.131	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128.4	173.3	-74.6	177.2	0	0	0	110.3	K540 V541 I564 A567 V568 L571 Y581	K540-L583 WeakPolarHBondContact O-CA 3.3Å; V541-L583 HydrophobicContact CB-CD2 4.43Å; V541-L583 HydrophobicContact CG2-CD2 3.83Å; I564-L583 HydrophobicContact CD1-CB 3.57Å; I564-L583 HydrophobicContact CD1-CD1 3.91Å; I564-L583 HydrophobicContact CD1-CG 4.41Å; A567-L583 HydrophobicContact CB-CD1 3.76Å; V568-L583 HydrophobicContact CG2-CD1 3.75Å; L571-L583 HydrophobicContact CD1-CD1 4.06Å; L571-L583 HydrophobicContact CD1-CD2 3.72Å; L571-L583 HydrophobicContact CD1-CG 4.01Å; Y581-L583 HydrophobicContact CD2-CG 3.98Å; Y581-L583 HydrophobicContact CE2-CD1 4.12Å; Y581-L583 HydrophobicContact CE2-CG 3.98Å
584	I	92.2	Very high	87.8	Confident	77 Å²	77	50 Å²	50	40%	0.395	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	123.5	173.3	-56.8	-172.9	0	0	0	108.4	Y539 K540 I542 Q582	Y539-I584 CarbonylContact C-O 3.59Å; Y539-I584 WeakPolarHBondContact CA-O 3.48Å; K540-I584 PolarHBondContact N-O 3.04Å; K540-I584 PolarHBondContact O-N 3.3Å; K540-I584 VanDerWaalsContact O-N 3.11Å; I542-I584 HydrophobicContact CD1-CD1 3.42Å; I542-I584 VanDerWaalsContact CD1-CD1 3.42Å; I542-I584 HydrophobicContact CD1-CG1 3.89Å; Q582-I584 HydrophobicContact CG-CG1 4.24Å
585	Q	95.2	Very high	88.4	Confident	74 Å²	74	47 Å²	47	35%	0.346	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	142	173.6	-169.6	174.4	9.9	0	0	110	I536 A538 Y539 P587	I536-Q585 WeakPolarHBondContact O-CG 3.14Å; I536-Q585 PolarHBondContact O-NE2 2.94Å; A538-Q585 CarbonylContact O-C 3.55Å; A538-Q585 WeakPolarHBondContact O-CA 3.39Å; Y539-Q585 HydrophobicContact CD1-CB 3.75Å; Y539-Q585 HydrophobicContact CD1-CG 4.14Å; Y539-Q585 HydrophobicContact CE1-CB 3.69Å; Y539-Q585 HydrophobicContact CE1-CG 3.84Å; Q585-P587 WeakPolarHBondContact O-CD 3.46Å; Q585-P587 VanDerWaalsContact O-N 3.14Å
586	D	95.1	Very high	89.1	Confident	9 Å²	9	44.3 Å²	44.3	5%	0.048	23%	0.232	C	C	.	.			trans	-54.3	119.3	171.9	-165.9	-32	0	0	0	109.4	W481 I536 A538 W558 D588	W481-D586 PolarHBondContact NE1-OD2 3.2Å; I536-D586 HydrophobicContact CB-CB 4.08Å; I536-D586 HydrophobicContact CG2-CB 4.4Å; A538-D586 PolarHBondContact O-N 3.44Å; W558-D586 HydrophobicContact CH2-CB 3.83Å; W558-D586 HydrophobicContact CZ3-CB 3.63Å; D586-D588 PolarHBondContact O-N 3.33Å; D586-D588 WeakPolarHBondContact OD1-CB 3.42Å; D586-D588 PolarHBondContact OD1-N 2.99Å
587	P	93.9	Very high	90.2	Very high	72 Å²	72	41.8 Å²	41.8	47%	0.468	22%	0.219	S	C	.	.			trans	-70.3	-18.5	-177.9	29.5	-36	0	0	0	112.3	R192 Q585	R192-P587 VanDerWaalsContact CZ-O 3.24Å; R192-P587 PolarHBondContact NH1-O 3.08Å; R192-P587 PolarHBondContact NH2-O 2.93Å; Q585-P587 WeakPolarHBondContact O-CD 3.46Å; Q585-P587 VanDerWaalsContact O-N 3.14Å
588	D	96.2	Very high	91.3	Very high	29 Å²	29	35.3 Å²	35.3	16%	0.155	19%	0.189	C	C	.	.			trans	-65.8	158.7	179	-70.5	-18.5	0	0	0	111.7	R528 Q529 I536 D586	R528-D588 WeakPolarHBondContact O-CB 3.3Å; Q529-D588 WeakPolarHBondContact CG-OD1 3.05Å; Q529-D588 PolarHBondContact NE2-OD2 3.07Å; I536-D588 HydrophobicContact CD1-CB 3.82Å; I536-D588 PolarHBondContact N-O 3.5Å; D586-D588 PolarHBondContact O-N 3.33Å; D586-D588 WeakPolarHBondContact OD1-CB 3.42Å; D586-D588 PolarHBondContact OD1-N 2.99Å
589	V	97.3	Very high	92.6	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	154.2	177	-55.2	0	0	0	0	110.9	S527 R528 L530 H534	S527-V589 CarbonylContact C-O 3.56Å; R528-V589 HydrophobicContact CB-CG2 4.16Å; R528-V589 PolarHBondContact N-O 3.13Å; R528-V589 PolarHBondContact O-N 3.15Å; L530-V589 HydrophobicContact CB-CG2 3.63Å; L530-V589 HydrophobicContact CD1-CG2 4.37Å; L530-V589 HydrophobicContact CG-CG2 4.47Å; H534-V589 CarbonylContact O-C 3.54Å; H534-V589 WeakPolarHBondContact O-CA 3.49Å; H534-V589 WeakPolarHBondContact O-CB 3Å
590	L	97.7	Very high	93.8	Very high	3 Å²	3	25 Å²	25	2%	0.016	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	146.5	176.2	-66.9	167.3	0	0	0	111.3	V238 F242 I526 H534 I536 T592 F594	V238-L590 HydrophobicContact CG1-CD1 3.44Å; V238-L590 VanDerWaalsContact CG1-CD1 3.44Å; F242-L590 HydrophobicContact CD2-CD1 4.35Å; F242-L590 HydrophobicContact CD2-CD2 3.85Å; F242-L590 HydrophobicContact CE2-CD2 3.91Å; I526-L590 HydrophobicContact CB-CD2 4.41Å; I526-L590 HydrophobicContact CD1-CD2 3.95Å; I526-L590 HydrophobicContact CG1-CD2 4.45Å; I526-L590 CarbonylContact O-C 3.56Å; I526-L590 WeakPolarHBondContact O-CA 3.45Å; H534-L590 HydrophobicContact CB-CB 4.33Å; H534-L590 HydrophobicContact CB-CD1 4.09Å; H534-L590 PolarHBondContact O-N 2.88Å; I536-L590 HydrophobicContact CG1-CD2 3.82Å; I536-L590 HydrophobicContact CG1-CG 3.94Å; L590-T592 PolarHBondContact O-N 3.24Å; L590-F594 HydrophobicContact CB-CD1 4.39Å; L590-F594 HydrophobicContact CD1-CD1 3.8Å; L590-F594 HydrophobicContact CD1-CE1 3.96Å; L590-F594 HydrophobicContact CD2-CD1 4.34Å; L590-F594 HydrophobicContact CG-CD1 4.41Å
591	D	95.3	Very high	94.6	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.032	12%	0.115	C	C	.	.			trans	-52.4	134.1	169.2	-174.5	15.6	0	0	0	109.2	W524 I526 R528 W593 F594 R634	W524-D591 HydrophobicContact CZ2-CB 4.47Å; W524-D591 PolarHBondContact NE1-OD2 2.92Å; I526-D591 PolarHBondContact O-N 3.26Å; R528-D591 IonicContact NE-OD1 2.99Å; R528-D591 IonicContact NH2-OD1 3.88Å; R528-D591 PolarHBondContact NH2-OD1 3.1Å; R528-D591 IonicContact NH2-OD2 3.99Å; R528-D591 PolarHBondContact NH2-OD2 3.48Å; R528-D591 VanDerWaalsContact NH2-OD2 3.07Å; D591-W593 PolarHBondContact O-N 2.68Å; D591-W593 VanDerWaalsContact O-N 3.11Å; D591-F594 VanDerWaalsContact O-CB 3.26Å; D591-F594 WeakPolarHBondContact O-CB 3.28Å; D591-F594 PolarHBondContact O-N 2.74Å; D591-R634 IonicContact OD2-NH2 2.93Å
592	T	94.7	Very high	95.2	Very high	12 Å²	12	22.3 Å²	22.3	7%	0.074	12%	0.115	C	C	.	.	H	α-helix	trans	-56	-37.7	-174.6	-168.4	0	0	0	0	111.1	H144 A145 G146 L590 F594 S595 S596	H144-T592 PolarHBondContact CE1-OG1 2.89Å; H144-T592 PolarHBondContact NE2-OG1 2.82Å; A145-T592 WeakPolarHBondContact CA-OG1 3.31Å; G146-T592 PolarHBondContact N-OG1 3.09Å; L590-T592 PolarHBondContact O-N 3.24Å; T592-F594 VanDerWaalsContact C-N 3.29Å; T592-F594 PolarHBondContact O-N 3.41Å; T592-S595 PolarHBondContact O-N 2.93Å; T592-S595 PolarHBondContact O-OG 3.44Å; T592-S596 PolarHBondContact O-N 2.89Å; T592-S596 PolarHBondContact O-OG 3.45Å
593	W	95	Very high	95.5	Very high	33 Å²	33	18 Å²	18	13%	0.125	10%	0.097	C	C	.	.	H	α-helix	trans	-65	-26.6	177.2	-57.5	112.1	0	0	0	114.3	W524 D591 S596 A597 F630 W631	W524-W593 HydrophobicContact CH2-CB 4.43Å; W524-W593 HydrophobicContact CZ2-CB 3.84Å; D591-W593 PolarHBondContact O-N 2.68Å; D591-W593 VanDerWaalsContact O-N 3.11Å; W593-S596 WeakPolarHBondContact CA-OG 3.26Å; W593-A597 WeakPolarHBondContact O-CB 3.33Å; W593-A597 PolarHBondContact O-N 2.84Å; W593-F630 HydrophobicContact CD2-CB 4.42Å; W593-F630 HydrophobicContact CH2-CB 3.97Å; W593-F630 HydrophobicContact CZ2-CB 3.83Å; W593-F630 HydrophobicContact CZ2-CD1 4.22Å; W593-F630 HydrophobicContact CZ2-CG 4.33Å; W593-F630 HydrophobicContact CZ3-CB 4.35Å; W593-W631 HydrophobicContact CE3-CB 3.79Å; W593-W631 AromaticContact CE3-CD1 3.66Å; W593-W631 AromaticContact CE3-CG 3.88Å; W593-W631 HydrophobicContact CE3-CG 3.88Å; W593-W631 HydrophobicContact CH2-CB 4.48Å; W593-W631 HydrophobicContact CZ3-CB 3.53Å; W593-W631 AromaticContact CZ3-CD1 3.89Å; W593-W631 HydrophobicContact CZ3-CD2 4.47Å; W593-W631 AromaticContact CZ3-CG 3.68Å; W593-W631 HydrophobicContact CZ3-CG 3.68Å
594	F	97.2	Very high	95.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.5	-46.7	173.8	-175.5	-92.9	0	0	0	110.1	V238 A241 F242 L245 I251 V483 W524 I526 L590 D591 T592 L638	V238-F594 HydrophobicContact CG1-CD1 4.07Å; V238-F594 HydrophobicContact CG1-CE1 4.05Å; A241-F594 HydrophobicContact CB-CZ 4.4Å; F242-F594 HydrophobicContact CB-CE1 4.31Å; F242-F594 HydrophobicContact CB-CZ 4.23Å; F242-F594 HydrophobicContact CD2-CZ 4.37Å; L245-F594 HydrophobicContact CD1-CE2 3.63Å; L245-F594 HydrophobicContact CD1-CZ 3.81Å; I251-F594 HydrophobicContact CD1-CE2 4.47Å; I251-F594 HydrophobicContact CD1-CZ 4.43Å; V483-F594 HydrophobicContact CG2-CD2 4.48Å; V483-F594 HydrophobicContact CG2-CE2 4.22Å; W524-F594 VanDerWaalsContact CH2-CA 3.45Å; W524-F594 HydrophobicContact CH2-CB 3.9Å; W524-F594 HydrophobicContact CH2-CD2 4.07Å; W524-F594 HydrophobicContact CH2-CG 4.47Å; W524-F594 HydrophobicContact CZ2-CB 3.94Å; W524-F594 HydrophobicContact CZ3-CD2 4.22Å; I526-F594 HydrophobicContact CD1-CE2 4.43Å; I526-F594 HydrophobicContact CG2-CB 4.42Å; I526-F594 HydrophobicContact CG2-CD2 3.91Å; I526-F594 HydrophobicContact CG2-CG 4.48Å; L590-F594 HydrophobicContact CB-CD1 4.39Å; L590-F594 HydrophobicContact CD1-CD1 3.8Å; L590-F594 HydrophobicContact CD1-CE1 3.96Å; L590-F594 HydrophobicContact CD2-CD1 4.34Å; L590-F594 HydrophobicContact CG-CD1 4.41Å; D591-F594 VanDerWaalsContact O-CB 3.26Å; D591-F594 WeakPolarHBondContact O-CB 3.28Å; D591-F594 PolarHBondContact O-N 2.74Å; T592-F594 VanDerWaalsContact C-N 3.29Å; T592-F594 PolarHBondContact O-N 3.41Å; F594-L638 HydrophobicContact CD2-CD1 4.5Å
595	S	95.8	Very high	95.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-72.9	-44.3	178.6	62.7	0	0	0	0	113.5	H144 H234 H534 T592 A597 L598	H144-S595 PolarHBondContact CE1-OG 3.02Å; H234-S595 PolarHBondContact CE1-O 2.62Å; H234-S595 VanDerWaalsContact CE1-O 3.29Å; H234-S595 PolarHBondContact NE2-O 2.99Å; H534-S595 WeakPolarHBondContact CE1-CB 3.3Å; H534-S595 VanDerWaalsContact ND1-CB 3.28Å; H534-S595 WeakPolarHBondContact ND1-CB 3.26Å; T592-S595 PolarHBondContact O-N 2.93Å; T592-S595 PolarHBondContact O-OG 3.44Å; S595-A597 VanDerWaalsContact C-N 3.29Å; S595-A597 PolarHBondContact O-N 3.42Å; S595-L598 PolarHBondContact O-N 2.58Å
596	S	95.8	Very high	95.9	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-74.3	-19.8	-177	65.4	0	0	0	0	112.8	T592 W593 L598 L599 W631	T592-S596 PolarHBondContact O-N 2.89Å; T592-S596 PolarHBondContact O-OG 3.45Å; W593-S596 WeakPolarHBondContact CA-OG 3.26Å; S596-L598 PolarHBondContact O-N 2.78Å; S596-L599 WeakPolarHBondContact O-CB 3.47Å; S596-L599 WeakPolarHBondContact O-CD1 3.29Å; S596-L599 VanDerWaalsContact O-CG 3.27Å; S596-L599 WeakPolarHBondContact O-CG 3.48Å; S596-L599 PolarHBondContact O-N 3.49Å; S596-W631 VanDerWaalsContact C-NE1 3.35Å; S596-W631 PolarHBondContact O-NE1 2.96Å; S596-W631 PolarHBondContact OG-NE1 3.29Å
597	A	97.2	Very high	95.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-16.4	173.6	0	0	0	0	0	113.7	W593 S595 P600 R634 M635 L638	W593-A597 WeakPolarHBondContact O-CB 3.33Å; W593-A597 PolarHBondContact O-N 2.84Å; S595-A597 VanDerWaalsContact C-N 3.29Å; S595-A597 PolarHBondContact O-N 3.42Å; A597-P600 WeakPolarHBondContact O-CD 3.38Å; A597-R634 HydrophobicContact CB-CB 3.86Å; A597-M635 HydrophobicContact CB-CG 4.2Å; A597-M635 WeakPolarHBondContact O-CG 3.28Å; A597-L638 HydrophobicContact CB-CD1 3.82Å
598	L	97.9	Very high	95.8	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-14.3	178.3	-52.5	179.9	0	0	0	113.3	C237 V238 A241 S595 S596 P600 F601 S602 L638 L642	C237-L598 HydrophobicContact CB-CD1 4.42Å; V238-L598 HydrophobicContact CB-CD1 4.31Å; V238-L598 HydrophobicContact CG2-CD1 3.81Å; A241-L598 HydrophobicContact CB-CD1 3.69Å; A241-L598 HydrophobicContact CB-CD2 3.92Å; A241-L598 HydrophobicContact CB-CG 4.49Å; S595-L598 PolarHBondContact O-N 2.58Å; S596-L598 PolarHBondContact O-N 2.78Å; L598-P600 VanDerWaalsContact C-N 3.32Å; L598-P600 WeakPolarHBondContact O-CD 3.45Å; L598-P600 VanDerWaalsContact O-N 3.11Å; L598-F601 HydrophobicContact CB-CE2 4.05Å; L598-F601 HydrophobicContact CB-CZ 4.01Å; L598-F601 HydrophobicContact CD2-CE2 3.94Å; L598-F601 HydrophobicContact CD2-CZ 3.55Å; L598-F601 HydrophobicContact CG-CZ 4.38Å; L598-F601 PolarHBondContact O-N 3.35Å; L598-F601 VanDerWaalsContact O-N 3.09Å; L598-S602 WeakPolarHBondContact O-CB 3.23Å; L598-S602 PolarHBondContact O-N 2.92Å; L598-S602 PolarHBondContact O-OG 3.24Å; L598-L638 HydrophobicContact CD2-CB 4.25Å; L598-L638 HydrophobicContact CD2-CD1 3.77Å; L598-L642 HydrophobicContact CD2-CD1 3.68Å
599	L	96.8	Very high	95.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-49.3	-37.7	-172.8	-75	172.5	0	0	0	116.2	I101 P104 F227 T229 S596 F601 S602 V603 W631 M635	I101-L599 HydrophobicContact CD1-CB 3.98Å; P104-L599 HydrophobicContact CG-CD1 3.66Å; F227-L599 HydrophobicContact CD2-CD2 3.39Å; F227-L599 HydrophobicContact CE2-CD1 3.66Å; F227-L599 HydrophobicContact CE2-CD2 3.25Å; F227-L599 HydrophobicContact CE2-CG 4.09Å; F227-L599 HydrophobicContact CG-CD2 4.13Å; F227-L599 HydrophobicContact CZ-CD1 4.03Å; F227-L599 HydrophobicContact CZ-CD2 3.87Å; T229-L599 HydrophobicContact CG2-CD1 3.91Å; T229-L599 HydrophobicContact CG2-CD2 4Å; T229-L599 HydrophobicContact CG2-CG 4.24Å; S596-L599 WeakPolarHBondContact O-CB 3.47Å; S596-L599 WeakPolarHBondContact O-CD1 3.29Å; S596-L599 VanDerWaalsContact O-CG 3.27Å; S596-L599 WeakPolarHBondContact O-CG 3.48Å; S596-L599 PolarHBondContact O-N 3.49Å; L599-F601 PolarHBondContact O-N 3.47Å; L599-F601 VanDerWaalsContact O-N 3.07Å; L599-S602 VanDerWaalsContact CA-OG 3.32Å; L599-S602 WeakPolarHBondContact CA-OG 3.34Å; L599-V603 HydrophobicContact CD2-CG2 3.82Å; L599-V603 WeakPolarHBondContact O-CB 3.28Å; L599-V603 WeakPolarHBondContact O-CG2 3.37Å; L599-V603 PolarHBondContact O-N 2.84Å; L599-W631 HydrophobicContact CD1-CZ2 3.96Å; L599-M635 HydrophobicContact CB-CE 4.37Å
600	P	96.3	Very high	95	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.3	-24.5	-178.6	-26.6	37.8	0	0	0	113.9	I101 A597 L598 F604 Y616 L618 M635 P647 F648	I101-P600 HydrophobicContact CD1-CG 4.49Å; A597-P600 WeakPolarHBondContact O-CD 3.38Å; L598-P600 VanDerWaalsContact C-N 3.32Å; L598-P600 WeakPolarHBondContact O-CD 3.45Å; L598-P600 VanDerWaalsContact O-N 3.11Å; P600-F604 WeakPolarHBondContact O-CD2 3.32Å; P600-F604 WeakPolarHBondContact O-CE2 3.32Å; P600-Y616 HydrophobicContact CB-CE2 4.2Å; P600-Y616 WeakPolarHBondContact O-CD2 3.22Å; P600-L618 HydrophobicContact CB-CD1 3.97Å; P600-L618 HydrophobicContact CB-CG 4.41Å; P600-M635 HydrophobicContact CG-CB 4.27Å; P600-M635 HydrophobicContact CG-CE 3.73Å; P600-M635 HydrophobicContact CG-CG 4.05Å; P600-M635 HydrophobicContact CG-SD 4.06Å; P600-P647 HydrophobicContact CB-CB 3.57Å; P600-P647 HydrophobicContact CG-CB 3.79Å; P600-F648 HydrophobicContact CG-CE1 4.4Å
601	F	96	Very high	94.5	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.013	16%	0.158	C	C	.	.	H	α-helix	trans	-123.2	-27.1	-179.5	49	-88	0	0	0	113.7	L598 L599 V603 F604 W606 Y616 L642 T643	L598-F601 HydrophobicContact CB-CE2 4.05Å; L598-F601 HydrophobicContact CB-CZ 4.01Å; L598-F601 HydrophobicContact CD2-CE2 3.94Å; L598-F601 HydrophobicContact CD2-CZ 3.55Å; L598-F601 HydrophobicContact CG-CZ 4.38Å; L598-F601 PolarHBondContact O-N 3.35Å; L598-F601 VanDerWaalsContact O-N 3.09Å; L599-F601 PolarHBondContact O-N 3.47Å; L599-F601 VanDerWaalsContact O-N 3.07Å; F601-V603 VanDerWaalsContact C-N 3.29Å; F601-V603 PolarHBondContact O-N 3.03Å; F601-F604 CarbonylContact O-C 3.52Å; F601-F604 PolarHBondContact O-N 2.8Å; F601-F604 VanDerWaalsContact O-N 3.08Å; F601-W606 HydrophobicContact CB-CB 4.27Å; F601-W606 HydrophobicContact CD2-CB 3.92Å; F601-W606 AromaticContact CD2-CD2 3.62Å; F601-W606 HydrophobicContact CD2-CD2 3.62Å; F601-W606 AromaticContact CD2-CE3 3.85Å; F601-W606 HydrophobicContact CD2-CE3 3.85Å; F601-W606 AromaticContact CD2-CG 3.63Å; F601-W606 HydrophobicContact CD2-CG 3.63Å; F601-W606 AromaticContact CE2-CD2 3.85Å; F601-W606 HydrophobicContact CE2-CD2 3.85Å; F601-W606 AromaticContact CE2-CE3 3.81Å; F601-W606 HydrophobicContact CE2-CE3 3.81Å; F601-W606 HydrophobicContact CE2-CG 4.33Å; F601-W606 HydrophobicContact CE2-CZ3 4.14Å; F601-W606 VanDerWaalsContact O-CB 3.32Å; F601-W606 WeakPolarHBondContact O-CB 3.47Å; F601-W606 PolarHBondContact O-N 3.17Å; F601-Y616 HydrophobicContact CB-CD1 4.4Å; F601-Y616 HydrophobicContact CB-CD2 3.76Å; F601-Y616 HydrophobicContact CB-CE1 4.32Å; F601-Y616 HydrophobicContact CB-CE2 3.68Å; F601-Y616 HydrophobicContact CB-CG 4.15Å; F601-Y616 HydrophobicContact CD1-CE2 4.05Å; F601-Y616 HydrophobicContact CG-CE2 4.35Å; F601-L642 HydrophobicContact CE2-CB 4.47Å; F601-L642 HydrophobicContact CE2-CD1 4.09Å; F601-L642 HydrophobicContact CZ-CB 4.44Å; F601-L642 HydrophobicContact CZ-CD1 3.9Å; F601-T643 HydrophobicContact CB-CG2 4.18Å; F601-T643 HydrophobicContact CD1-CG2 4.01Å; F601-T643 HydrophobicContact CD2-CG2 4.05Å; F601-T643 HydrophobicContact CE1-CG2 4.4Å; F601-T643 HydrophobicContact CE2-CG2 4.41Å; F601-T643 HydrophobicContact CG-CG2 3.81Å
602	S	95.9	Very high	94.3	Very high	9 Å²	9	30.9 Å²	30.9	6%	0.063	16%	0.164	C	C	.	.	H	α-helix	trans	-64.7	-34.8	176.8	66.5	0	0	0	0	112.5	H234 C237 L598 L599 F604 G605	H234-S602 PolarHBondContact CE1-OG 3.32Å; H234-S602 PolarHBondContact ND1-OG 2.8Å; C237-S602 VanDerWaalsContact SG-CB 3.51Å; L598-S602 WeakPolarHBondContact O-CB 3.23Å; L598-S602 PolarHBondContact O-N 2.92Å; L598-S602 PolarHBondContact O-OG 3.24Å; L599-S602 VanDerWaalsContact CA-OG 3.32Å; L599-S602 WeakPolarHBondContact CA-OG 3.34Å; S602-F604 PolarHBondContact O-N 3.21Å; S602-G605 PolarHBondContact O-N 2.85Å
603	V	94.9	Very high	94.2	Very high	26 Å²	26	33.9 Å²	33.9	16%	0.158	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.2	175.2	174.2	0	0	0	0	111.7	V139 F227 L599 F601	V139-V603 HydrophobicContact CB-CG1 4.26Å; V139-V603 HydrophobicContact CG1-CG1 3.71Å; V139-V603 HydrophobicContact CG2-CG1 4.23Å; F227-V603 HydrophobicContact CB-CG2 4.19Å; F227-V603 HydrophobicContact CD1-CG1 4.24Å; F227-V603 HydrophobicContact CD1-CG2 3.54Å; F227-V603 HydrophobicContact CD2-CG2 4.41Å; F227-V603 HydrophobicContact CE1-CG2 3.97Å; F227-V603 HydrophobicContact CG-CG2 3.79Å; L599-V603 HydrophobicContact CD2-CG2 3.82Å; L599-V603 WeakPolarHBondContact O-CB 3.28Å; L599-V603 WeakPolarHBondContact O-CG2 3.37Å; L599-V603 PolarHBondContact O-N 2.84Å; F601-V603 VanDerWaalsContact C-N 3.29Å; F601-V603 PolarHBondContact O-N 3.03Å
604	F	95.2	Very high	94	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	26.3	-178.7	-56	-49.6	0	0	0	113.3	L137 V139 P600 F601 S602 W606 T610 E612 Q613 F615 L618	L137-F604 HydrophobicContact CD2-CE1 3.7Å; L137-F604 HydrophobicContact CD2-CZ 4.34Å; V139-F604 HydrophobicContact CG2-CE1 4.08Å; V139-F604 HydrophobicContact CG2-CZ 4.36Å; P600-F604 WeakPolarHBondContact O-CD2 3.32Å; P600-F604 WeakPolarHBondContact O-CE2 3.32Å; F601-F604 CarbonylContact O-C 3.52Å; F601-F604 PolarHBondContact O-N 2.8Å; F601-F604 VanDerWaalsContact O-N 3.08Å; S602-F604 PolarHBondContact O-N 3.21Å; F604-W606 VanDerWaalsContact C-N 3.35Å; F604-W606 PolarHBondContact O-N 2.94Å; F604-T610 PolarHBondContact O-OG1 3.39Å; F604-E612 HydrophobicContact CB-CB 4.15Å; F604-E612 WeakPolarHBondContact CB-O 3.31Å; F604-Q613 PolarHBondContact O-N 3.04Å; F604-F615 HydrophobicContact CD1-CB 3.7Å; F604-F615 HydrophobicContact CD1-CD2 4.25Å; F604-F615 HydrophobicContact CD1-CG 4.37Å; F604-F615 HydrophobicContact CD2-CB 4.29Å; F604-F615 HydrophobicContact CE1-CB 3.59Å; F604-F615 HydrophobicContact CE1-CD2 4.45Å; F604-F615 HydrophobicContact CE1-CG 4.27Å; F604-F615 HydrophobicContact CE2-CB 4.18Å; F604-F615 HydrophobicContact CG-CB 4.06Å; F604-F615 HydrophobicContact CZ-CB 3.84Å; F604-L618 HydrophobicContact CE2-CD2 3.52Å; F604-L618 HydrophobicContact CE2-CG 4.37Å; F604-L618 HydrophobicContact CZ-CD2 3.73Å
605	G	92.2	Very high	93.9	Very high	24 Å²	24	36.4 Å²	36.4	25%	0.247	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	2.1	168.1	0	0	0	0	0	115.6	S602 N608	S602-G605 PolarHBondContact O-N 2.85Å; G605-N608 CarbonylContact C-O 3.57Å; G605-N608 CarbonylContact O-C 3.46Å; G605-N608 WeakPolarHBondContact O-CA 3.41Å; G605-N608 WeakPolarHBondContact O-CB 3.33Å; G605-N608 PolarHBondContact O-N 2.89Å
606	W	96.4	Very high	93.8	Very high	22 Å²	22	37.9 Å²	37.9	8%	0.083	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	141.8	166.7	-176.8	93.3	0	0	0	109.3	C237 E240 A241 F601 F604 L642	C237-W606 HydrophobicContact CB-CE3 3.8Å; C237-W606 HydrophobicContact CB-CZ3 3.8Å; C237-W606 VanDerWaalsContact O-CZ3 3.24Å; C237-W606 WeakPolarHBondContact O-CZ3 3.48Å; C237-W606 PolarHBondContact SG-O 2.7Å; E240-W606 HydrophobicContact CB-CH2 4.01Å; E240-W606 HydrophobicContact CB-CZ3 4.27Å; E240-W606 HydrophobicContact CG-CH2 3.85Å; E240-W606 HydrophobicContact CG-CZ2 4.22Å; E240-W606 HydrophobicContact CG-CZ3 4.48Å; A241-W606 HydrophobicContact CB-CH2 3.89Å; A241-W606 HydrophobicContact CB-CZ3 4.22Å; F601-W606 HydrophobicContact CB-CB 4.27Å; F601-W606 HydrophobicContact CD2-CB 3.92Å; F601-W606 AromaticContact CD2-CD2 3.62Å; F601-W606 HydrophobicContact CD2-CD2 3.62Å; F601-W606 AromaticContact CD2-CE3 3.85Å; F601-W606 HydrophobicContact CD2-CE3 3.85Å; F601-W606 AromaticContact CD2-CG 3.63Å; F601-W606 HydrophobicContact CD2-CG 3.63Å; F601-W606 AromaticContact CE2-CD2 3.85Å; F601-W606 HydrophobicContact CE2-CD2 3.85Å; F601-W606 AromaticContact CE2-CE3 3.81Å; F601-W606 HydrophobicContact CE2-CE3 3.81Å; F601-W606 HydrophobicContact CE2-CG 4.33Å; F601-W606 HydrophobicContact CE2-CZ3 4.14Å; F601-W606 VanDerWaalsContact O-CB 3.32Å; F601-W606 WeakPolarHBondContact O-CB 3.47Å; F601-W606 PolarHBondContact O-N 3.17Å; F604-W606 VanDerWaalsContact C-N 3.35Å; F604-W606 PolarHBondContact O-N 2.94Å; W606-L642 HydrophobicContact CH2-CD1 4.14Å; W606-L642 HydrophobicContact CH2-CD2 4.44Å; W606-L642 HydrophobicContact CZ2-CB 4.04Å; W606-L642 HydrophobicContact CZ2-CD1 4.32Å; W606-L642 HydrophobicContact CZ2-CD2 4.24Å; W606-L642 HydrophobicContact CZ2-CG 4.43Å
607	P	95	Very high	93.9	Very high	30 Å²	30	39.3 Å²	39.3	20%	0.195	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	cis	-84.6	-0.8	6.3	36.9	-39.3	0	0	0	114.9	E240	E240-P607 HydrophobicContact CB-CB 4.31Å; E240-P607 HydrophobicContact CB-CG 3.93Å; E240-P607 HydrophobicContact CG-CB 3.67Å; E240-P607 HydrophobicContact CG-CG 3.76Å
608	N	93.5	Very high	93.9	Very high	94 Å²	94	39.3 Å²	39.3	50%	0.503	20%	0.201	S	C	.	.	S	Bend	trans	-80.6	148.9	-178.9	-61.2	-45.1	0	0	0	110.9	G605 T610 Q613	G605-N608 CarbonylContact C-O 3.57Å; G605-N608 CarbonylContact O-C 3.46Å; G605-N608 WeakPolarHBondContact O-CA 3.41Å; G605-N608 WeakPolarHBondContact O-CB 3.33Å; G605-N608 PolarHBondContact O-N 2.89Å; N608-T610 HydrophobicContact CB-CG2 4.1Å; N608-T610 PolarHBondContact O-N 2.87Å; N608-T610 VanDerWaalsContact O-N 3.15Å; N608-Q613 PolarHBondContact O-NE2 3.36Å
609	D	86.1	Confident	93.8	Very high	148 Å²	148	40.7 Å²	40.7	79%	0.791	21%	0.206	S	C	*	.			trans	-77.5	100.9	171.3	-70.7	-23.2	0	0	0	109.7	Q613	D609-Q613 PolarHBondContact OD1-NE2 3.35Å; D609-Q613 PolarHBondContact OD1-OE1 3.25Å
610	T	89.8	Confident	93.8	Very high	53 Å²	53	40.7 Å²	40.7	33%	0.325	21%	0.206	S	C	.	.			trans	-120.6	157.8	178.4	79.2	0	0	0	0	110.4	F604 N608 E612 Q613	F604-T610 PolarHBondContact O-OG1 3.39Å; N608-T610 HydrophobicContact CB-CG2 4.1Å; N608-T610 PolarHBondContact O-N 2.87Å; N608-T610 VanDerWaalsContact O-N 3.15Å; T610-E612 PolarHBondContact O-N 3.28Å; T610-E612 WeakPolarHBondContact OG1-CB 3.41Å; T610-E612 PolarHBondContact OG1-N 2.96Å; T610-Q613 WeakPolarHBondContact O-CB 3.4Å; T610-Q613 PolarHBondContact O-N 2.84Å; T610-Q613 VanDerWaalsContact O-N 3.1Å
611	K	87.8	Confident	93.8	Very high	161 Å²	161	40.7 Å²	40.7	70%	0.7	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-56.7	-21.1	173.4	65.5	175	-175.2	170.2	0	113.4	Q613 R614	K611-Q613 VanDerWaalsContact C-N 3.28Å; K611-Q613 PolarHBondContact O-N 3.43Å; K611-R614 WeakPolarHBondContact O-CD 3.47Å; K611-R614 WeakPolarHBondContact O-CG 3.38Å
612	E	91.1	Very high	93.8	Very high	33 Å²	33	40.5 Å²	40.5	15%	0.154	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-72.3	-21.1	-179.1	-60	-63	140.6	0	0	112.1	R225 F604 T610 R614 F615	R225-E612 IonicContact CZ-OE1 3.41Å; R225-E612 IonicContact CZ-OE2 2.69Å; R225-E612 IonicContact NE-OE1 3.13Å; R225-E612 IonicContact NE-OE2 3.77Å; R225-E612 PolarHBondContact NE-OE2 3.38Å; R225-E612 IonicContact NH2-OE1 2.78Å; R225-E612 PolarHBondContact NH2-OE1 2.72Å; R225-E612 IonicContact NH2-OE2 3.15Å; R225-E612 PolarHBondContact NH2-OE2 2.93Å; R225-E612 VanDerWaalsContact NH2-OE2 3.15Å; F604-E612 HydrophobicContact CB-CB 4.15Å; F604-E612 WeakPolarHBondContact CB-O 3.31Å; T610-E612 PolarHBondContact O-N 3.28Å; T610-E612 WeakPolarHBondContact OG1-CB 3.41Å; T610-E612 PolarHBondContact OG1-N 2.96Å; E612-R614 PolarHBondContact O-N 3.23Å; E612-F615 HydrophobicContact CB-CD2 4.47Å; E612-F615 WeakPolarHBondContact O-CB 3.3Å; E612-F615 VanDerWaalsContact O-CD2 3.22Å; E612-F615 WeakPolarHBondContact O-CD2 3.08Å; E612-F615 PolarHBondContact O-N 3.24Å; E612-F615 WeakPolarHBondContact OE2-CD2 3.42Å; E612-F615 VanDerWaalsContact OE2-CE2 3.24Å; E612-F615 WeakPolarHBondContact OE2-CE2 3.25Å
613	Q	91.6	Very high	93.8	Very high	74 Å²	74	40.3 Å²	40.3	35%	0.346	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-57	-23.1	177.9	-71.3	-174.7	-8.5	0	0	113.3	F604 N608 D609 T610 K611 F615 Y616	F604-Q613 PolarHBondContact O-N 3.04Å; N608-Q613 PolarHBondContact O-NE2 3.36Å; D609-Q613 PolarHBondContact OD1-NE2 3.35Å; D609-Q613 PolarHBondContact OD1-OE1 3.25Å; T610-Q613 WeakPolarHBondContact O-CB 3.4Å; T610-Q613 PolarHBondContact O-N 2.84Å; T610-Q613 VanDerWaalsContact O-N 3.1Å; K611-Q613 VanDerWaalsContact C-N 3.28Å; K611-Q613 PolarHBondContact O-N 3.43Å; Q613-F615 PolarHBondContact O-N 3.14Å; Q613-Y616 WeakPolarHBondContact O-CB 3.5Å; Q613-Y616 PolarHBondContact O-N 2.63Å
614	R	91.5	Very high	93.7	Very high	85 Å²	85	39.3 Å²	39.3	32%	0.321	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-55.9	-21.8	173.5	73	-177.4	-76.3	158.5	7.2	114	H93 I97 K611 E612 Y616	H93-R614 PolarHBondContact O-NH2 3.36Å; I97-R614 HydrophobicContact CD1-CG 4.3Å; K611-R614 WeakPolarHBondContact O-CD 3.47Å; K611-R614 WeakPolarHBondContact O-CG 3.38Å; E612-R614 PolarHBondContact O-N 3.23Å; R614-Y616 VanDerWaalsContact C-N 3.35Å
615	F	94.4	Very high	93.6	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.009	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-87.7	-5.4	179.4	-61.6	-67.6	0	0	0	112.9	P85 L89 I97 S99 L137 F604 E612 Q613	P85-F615 HydrophobicContact CG-CE1 4.11Å; P85-F615 HydrophobicContact CG-CZ 4.01Å; L89-F615 HydrophobicContact CD1-CE1 3.69Å; L89-F615 HydrophobicContact CD1-CZ 3.52Å; I97-F615 HydrophobicContact CD1-CD1 4.07Å; I97-F615 HydrophobicContact CD1-CE1 4Å; I97-F615 HydrophobicContact CG2-CD1 3.67Å; I97-F615 HydrophobicContact CG2-CE1 3.91Å; S99-F615 WeakPolarHBondContact CB-O 3.36Å; S99-F615 PolarHBondContact OG-O 3.13Å; L137-F615 HydrophobicContact CB-CD1 4.07Å; L137-F615 HydrophobicContact CB-CE1 4.14Å; L137-F615 HydrophobicContact CD2-CB 3.98Å; L137-F615 HydrophobicContact CD2-CD1 3.46Å; L137-F615 VanDerWaalsContact CD2-CD1 3.46Å; L137-F615 HydrophobicContact CD2-CD2 3.71Å; L137-F615 HydrophobicContact CD2-CE1 3.79Å; L137-F615 HydrophobicContact CD2-CE2 4.03Å; L137-F615 HydrophobicContact CD2-CG 3.44Å; L137-F615 VanDerWaalsContact CD2-CG 3.44Å; L137-F615 HydrophobicContact CD2-CZ 4.07Å; L137-F615 HydrophobicContact CG-CD1 4.41Å; F604-F615 HydrophobicContact CD1-CB 3.7Å; F604-F615 HydrophobicContact CD1-CD2 4.25Å; F604-F615 HydrophobicContact CD1-CG 4.37Å; F604-F615 HydrophobicContact CD2-CB 4.29Å; F604-F615 HydrophobicContact CE1-CB 3.59Å; F604-F615 HydrophobicContact CE1-CD2 4.45Å; F604-F615 HydrophobicContact CE1-CG 4.27Å; F604-F615 HydrophobicContact CE2-CB 4.18Å; F604-F615 HydrophobicContact CG-CB 4.06Å; F604-F615 HydrophobicContact CZ-CB 3.84Å; E612-F615 HydrophobicContact CB-CD2 4.47Å; E612-F615 WeakPolarHBondContact O-CB 3.3Å; E612-F615 VanDerWaalsContact O-CD2 3.22Å; E612-F615 WeakPolarHBondContact O-CD2 3.08Å; E612-F615 PolarHBondContact O-N 3.24Å; E612-F615 WeakPolarHBondContact OE2-CD2 3.42Å; E612-F615 VanDerWaalsContact OE2-CE2 3.24Å; E612-F615 WeakPolarHBondContact OE2-CE2 3.25Å; Q613-F615 PolarHBondContact O-N 3.14Å
616	Y	95.3	Very high	93.3	Very high	31 Å²	31	43.8 Å²	43.8	12%	0.122	22%	0.216	C	C	.	.			trans	-104.7	137.2	177.6	-175.3	-106.6	0	0	0	111.1	P600 F601 Q613 R614 T643 Q645 P647	P600-Y616 HydrophobicContact CB-CE2 4.2Å; P600-Y616 WeakPolarHBondContact O-CD2 3.22Å; F601-Y616 HydrophobicContact CB-CD1 4.4Å; F601-Y616 HydrophobicContact CB-CD2 3.76Å; F601-Y616 HydrophobicContact CB-CE1 4.32Å; F601-Y616 HydrophobicContact CB-CE2 3.68Å; F601-Y616 HydrophobicContact CB-CG 4.15Å; F601-Y616 HydrophobicContact CD1-CE2 4.05Å; F601-Y616 HydrophobicContact CG-CE2 4.35Å; Q613-Y616 WeakPolarHBondContact O-CB 3.5Å; Q613-Y616 PolarHBondContact O-N 2.63Å; R614-Y616 VanDerWaalsContact C-N 3.35Å; Y616-T643 HydrophobicContact CE1-CG2 3.83Å; Y616-T643 WeakPolarHBondContact CE1-OG1 3.27Å; Y616-T643 PolarHBondContact OH-OG1 3.4Å; Y616-Q645 HydrophobicContact CD1-CG 4.48Å; Y616-Q645 HydrophobicContact CE1-CG 3.63Å; Y616-Q645 PolarHBondContact OH-O 3.1Å; Y616-P647 HydrophobicContact CE2-CB 4.33Å; Y616-P647 WeakPolarHBondContact OH-CA 3.32Å
617	P	96.7	Very high	93	Very high	29 Å²	29	44.6 Å²	44.6	19%	0.188	22%	0.221	C	C	.	.	S	Bend	cis	-75.5	161.6	0.4	35	-36.5	0	0	0	113	S99 V646 K649	S99-P617 PolarHBondContact OG-O 3.13Å; P617-V646 WeakPolarHBondContact CB-O 3.29Å; P617-K649 HydrophobicContact CG-CD 4.48Å
618	L	97.6	Very high	92.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	143.5	174.3	-64.1	177.3	0	0	0	110.6	S99 I101 P600 F604 P647 F648 K649	S99-L618 WeakPolarHBondContact OG-CA 3.42Å; I101-L618 HydrophobicContact CB-CD1 4.41Å; I101-L618 HydrophobicContact CD1-CD1 4.04Å; I101-L618 HydrophobicContact CG1-CD1 3.8Å; I101-L618 HydrophobicContact CG2-CD1 4Å; I101-L618 HydrophobicContact CG2-CD2 4.05Å; P600-L618 HydrophobicContact CB-CD1 3.97Å; P600-L618 HydrophobicContact CB-CG 4.41Å; F604-L618 HydrophobicContact CE2-CD2 3.52Å; F604-L618 HydrophobicContact CE2-CG 4.37Å; F604-L618 HydrophobicContact CZ-CD2 3.73Å; L618-P647 WeakPolarHBondContact CB-O 3.49Å; L618-P647 PolarHBondContact N-O 3.23Å; L618-F648 HydrophobicContact CB-CB 3.93Å; L618-F648 CarbonylContact O-C 3.54Å; L618-F648 WeakPolarHBondContact O-CA 3.27Å; L618-K649 PolarHBondContact O-N 3.37Å
619	R	96	Very high	92.6	Very high	29 Å²	29	40.4 Å²	40.4	11%	0.109	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	-43.8	173.4	176.2	59	-170.3	88.4	0.2	110.4	V98 S99 T650 D802 D805	V98-R619 HydrophobicContact CG1-CB 4.07Å; V98-R619 HydrophobicContact CG1-CG 4.1Å; S99-R619 PolarHBondContact O-N 3.42Å; R619-T650 PolarHBondContact NH1-OG1 3.06Å; R619-T650 PolarHBondContact O-N 2.89Å; R619-D802 IonicContact NH2-OD2 3.15Å; R619-D802 PolarHBondContact NH2-OD2 3.2Å; R619-D802 VanDerWaalsContact NH2-OD2 3.13Å; R619-D805 IonicContact CZ-OD1 3.71Å; R619-D805 IonicContact CZ-OD2 2.8Å; R619-D805 IonicContact NE-OD1 3.15Å; R619-D805 PolarHBondContact NE-OD1 3.49Å; R619-D805 IonicContact NE-OD2 3.75Å; R619-D805 PolarHBondContact NE-OD2 3Å; R619-D805 IonicContact NH2-OD1 3.54Å; R619-D805 PolarHBondContact NH2-OD1 2.89Å; R619-D805 IonicContact NH2-OD2 3.06Å; R619-D805 PolarHBondContact NH2-OD2 2.91Å
620	L	96	Very high	92.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	157.8	176.8	66.5	92	0	0	0	112.8	M100 I125 T650 I652 W831	M100-L620 HydrophobicContact CG-CD1 3.94Å; M100-L620 HydrophobicContact CG-CG 3.91Å; M100-L620 HydrophobicContact SD-CD1 3.39Å; M100-L620 WeakPolarHBondContact SD-CD1 3.38Å; M100-L620 HydrophobicContact SD-CD2 4.13Å; M100-L620 HydrophobicContact SD-CG 3.71Å; I125-L620 HydrophobicContact CD1-CD1 4.35Å; I125-L620 HydrophobicContact CG2-CD2 3.9Å; L620-T650 CarbonylContact C-O 3.58Å; L620-T650 WeakPolarHBondContact CA-O 3.28Å; L620-I652 HydrophobicContact CD1-CD1 4.32Å; L620-W831 HydrophobicContact CD2-CH2 4.07Å
621	L	97.2	Very high	92.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128.5	167.8	178.7	68.6	0	0	0	108.2	I101 P103 I632 M635 F648 T650 V651 I652	I101-L621 HydrophobicContact CD1-CD1 4.46Å; I101-L621 HydrophobicContact CG1-CD1 3.87Å; P103-L621 HydrophobicContact CG-CD1 4.37Å; L621-I632 HydrophobicContact CD2-CD1 4.34Å; L621-I632 HydrophobicContact CD2-CG1 4.03Å; L621-M635 HydrophobicContact CD2-CE 4.46Å; L621-M635 HydrophobicContact CD2-SD 3.83Å; L621-F648 HydrophobicContact CB-CD1 3.95Å; L621-F648 HydrophobicContact CB-CE1 4.39Å; L621-F648 HydrophobicContact CB-CG 4.12Å; L621-F648 HydrophobicContact CD2-CD1 4.04Å; L621-F648 HydrophobicContact CD2-CE1 3.67Å; L621-F648 HydrophobicContact CD2-CZ 4.19Å; L621-T650 PolarHBondContact N-O 3.44Å; L621-V651 CarbonylContact O-C 3.55Å; L621-V651 VanDerWaalsContact O-CA 3.27Å; L621-V651 WeakPolarHBondContact O-CA 3.45Å; L621-I652 PolarHBondContact O-N 3.31Å
622	E	96	Very high	93.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.3	174	-171.5	-73.8	135.1	0	0	109.6	P103 T118 I121 Q122 I652 H654	P103-E622 WeakPolarHBondContact CG-O 3.4Å; T118-E622 WeakPolarHBondContact CA-OE2 3.37Å; T118-E622 VanDerWaalsContact CG2-OE2 3.27Å; T118-E622 WeakPolarHBondContact CG2-OE2 3.3Å; I121-E622 HydrophobicContact CB-CG 4.3Å; I121-E622 HydrophobicContact CD1-CG 4.48Å; I121-E622 HydrophobicContact CG2-CG 3.76Å; Q122-E622 HydrophobicContact CG-CB 3.74Å; Q122-E622 HydrophobicContact CG-CG 4.49Å; Q122-E622 PolarHBondContact NE2-O 2.81Å; E622-I652 CarbonylContact C-O 3.41Å; E622-I652 VanDerWaalsContact CA-O 3.28Å; E622-I652 WeakPolarHBondContact CA-O 3.35Å; E622-I652 HydrophobicContact CB-CB 4.1Å; E622-I652 HydrophobicContact CG-CB 3.83Å; E622-I652 HydrophobicContact CG-CG2 3.84Å; E622-H654 IonicContact OE1-CE1 3.58Å; E622-H654 IonicContact OE1-CG 3.86Å; E622-H654 IonicContact OE1-ND1 3.27Å; E622-H654 PolarHBondContact OE1-ND1 3.22Å
623	S	95.2	Very high	93.3	Very high	5 Å²	5	24 Å²	24	4%	0.035	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	175.1	177.8	-149	0	0	0	0	114	I627 I652 L653 H654	S623-I627 WeakPolarHBondContact OG-CD1 3.38Å; S623-I652 PolarHBondContact N-O 3.06Å; S623-L653 VanDerWaalsContact O-CA 3.28Å; S623-L653 WeakPolarHBondContact O-CA 3.49Å; S623-H654 VanDerWaalsContact C-CE1 3.46Å; S623-H654 VanDerWaalsContact C-ND1 3.3Å; S623-H654 PolarHBondContact O-N 3.1Å; S623-H654 PolarHBondContact O-ND1 3.28Å; S623-H654 VanDerWaalsContact O-ND1 3.13Å
624	G	92.8	Very high	93.5	Very high	4 Å²	4	21.3 Å²	21.3	4%	0.041	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	139.8	174.3	0	0	0	0	0	111.5	D626 I627 H654	G624-D626 PolarHBondContact O-N 2.95Å; G624-D626 VanDerWaalsContact O-N 3.14Å; G624-I627 WeakPolarHBondContact O-CG1 3.45Å; G624-I627 PolarHBondContact O-N 2.78Å; G624-H654 VanDerWaalsContact CA-CE1 3.46Å; G624-H654 WeakPolarHBondContact CA-CE1 3.3Å; G624-H654 PolarHBondContact N-CE1 3.33Å
625	Q	92.5	Very high	93.8	Very high	48 Å²	48	17.3 Å²	17.3	22%	0.224	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-60.8	-21.9	177.3	64.4	171.1	-4.4	0	0	113.7	I627 L628 L653 H654 S714	Q625-I627 VanDerWaalsContact C-N 3.25Å; Q625-I627 PolarHBondContact O-N 2.98Å; Q625-L628 WeakPolarHBondContact O-CB 3.43Å; Q625-L628 PolarHBondContact O-N 2.71Å; Q625-L653 HydrophobicContact CB-CB 4.17Å; Q625-H654 PolarHBondContact N-O 2.93Å; Q625-S714 VanDerWaalsContact NE2-CA 3.27Å; Q625-S714 PolarHBondContact NE2-O 2.75Å
626	D	87.1	Confident	93.9	Very high	71 Å²	71	17.2 Å²	17.2	38%	0.38	8%	0.083	S	C	.	.	G	3₁₀ helix	trans	-69.5	-20.9	-179	63.2	-46	0	0	0	113.3	G624 F630	G624-D626 PolarHBondContact O-N 2.95Å; G624-D626 VanDerWaalsContact O-N 3.14Å; D626-F630 VanDerWaalsContact O-CD2 3.22Å; D626-F630 WeakPolarHBondContact O-CD2 3.27Å; D626-F630 WeakPolarHBondContact O-CE2 3.45Å
627	I	90.3	Very high	94	Very high	39 Å²	39	16.2 Å²	16.2	20%	0.2	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-104.7	7.8	177.7	70.7	171.4	0	0	0	114.2	S623 G624 Q625 F629 F630 W631	S623-I627 WeakPolarHBondContact OG-CD1 3.38Å; G624-I627 WeakPolarHBondContact O-CG1 3.45Å; G624-I627 PolarHBondContact O-N 2.78Å; Q625-I627 VanDerWaalsContact C-N 3.25Å; Q625-I627 PolarHBondContact O-N 2.98Å; I627-F629 PolarHBondContact O-N 3.27Å; I627-F630 PolarHBondContact O-N 3.14Å; I627-W631 HydrophobicContact CD1-CE3 3.6Å; I627-W631 HydrophobicContact CD1-CZ3 4.23Å; I627-W631 PolarHBondContact O-N 2.69Å
628	L	91.7	Very high	94.1	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	7%	0.071	C	C	.	.	I	π-helix	trans	-50.5	-46.3	177.5	178	57.9	0	0	0	111.8	W512 Q625 I632 A633 L653	W512-L628 HydrophobicContact CE3-CD1 3.79Å; W512-L628 HydrophobicContact CE3-CD2 4.4Å; W512-L628 HydrophobicContact CE3-CG 4.08Å; W512-L628 HydrophobicContact CZ3-CD1 3.75Å; W512-L628 HydrophobicContact CZ3-CG 4.33Å; Q625-L628 WeakPolarHBondContact O-CB 3.43Å; Q625-L628 PolarHBondContact O-N 2.71Å; L628-I632 HydrophobicContact CD1-CB 4.04Å; L628-I632 HydrophobicContact CD1-CD1 4.26Å; L628-I632 HydrophobicContact CD1-CG2 3.9Å; L628-I632 WeakPolarHBondContact O-CB 3.43Å; L628-I632 PolarHBondContact O-N 2.83Å; L628-A633 PolarHBondContact O-N 3.39Å; L628-L653 HydrophobicContact CB-CD1 4.37Å; L628-L653 HydrophobicContact CD1-CD1 3.84Å; L628-L653 HydrophobicContact CD1-CD2 4.43Å; L628-L653 HydrophobicContact CD2-CD1 3.77Å; L628-L653 HydrophobicContact CG-CD1 4.19Å
629	F	87.2	Confident	94.1	Very high	35 Å²	35	14.9 Å²	14.9	15%	0.154	7%	0.071	C	C	.	.	I	π-helix	trans	-86.4	-33.9	-178.2	-58.3	-59.7	0	0	0	113.8	I511 W515 I627 W631	I511-F629 HydrophobicContact CG2-CE2 3.76Å; I511-F629 HydrophobicContact CG2-CZ 3.38Å; I511-F629 WeakPolarHBondContact O-CZ 3.41Å; W515-F629 HydrophobicContact CB-CD1 3.82Å; W515-F629 HydrophobicContact CB-CE1 3.2Å; W515-F629 HydrophobicContact CB-CE2 4.36Å; W515-F629 HydrophobicContact CB-CZ 3.47Å; W515-F629 VanDerWaalsContact CB-CZ 3.47Å; W515-F629 AromaticContact CD1-CZ 3.98Å; W515-F629 HydrophobicContact CD2-CB 4.14Å; W515-F629 AromaticContact CD2-CD1 3.37Å; W515-F629 HydrophobicContact CD2-CD1 3.37Å; W515-F629 AromaticContact CD2-CE1 3.8Å; W515-F629 HydrophobicContact CD2-CE1 3.8Å; W515-F629 AromaticContact CD2-CG 3.78Å; W515-F629 HydrophobicContact CD2-CG 3.78Å; W515-F629 HydrophobicContact CD2-CZ 4.48Å; W515-F629 AromaticContact CE2-CD1 3.98Å; W515-F629 AromaticContact CE2-CG 3.89Å; W515-F629 HydrophobicContact CE3-CB 4.44Å; W515-F629 AromaticContact CE3-CD1 3.59Å; W515-F629 HydrophobicContact CE3-CD1 3.59Å; W515-F629 HydrophobicContact CE3-CE1 4.14Å; W515-F629 HydrophobicContact CE3-CG 4.28Å; W515-F629 AromaticContact CG-CD1 3.47Å; W515-F629 HydrophobicContact CG-CD1 3.47Å; W515-F629 VanDerWaalsContact CG-CD1 3.47Å; W515-F629 HydrophobicContact CG-CD2 4.27Å; W515-F629 AromaticContact CG-CE1 3.39Å; W515-F629 HydrophobicContact CG-CE1 3.39Å; W515-F629 HydrophobicContact CG-CE2 4.17Å; W515-F629 AromaticContact CG-CG 3.9Å; W515-F629 HydrophobicContact CG-CG 3.9Å; W515-F629 AromaticContact CG-CZ 3.7Å; W515-F629 HydrophobicContact CG-CZ 3.7Å; W515-F629 HydrophobicContact CH2-CB 4.31Å; W515-F629 HydrophobicContact CZ2-CB 3.98Å; W515-F629 HydrophobicContact CZ2-CG 4.49Å; W515-F629 HydrophobicContact CZ3-CD1 4.34Å; I627-F629 PolarHBondContact O-N 3.27Å; F629-W631 VanDerWaalsContact C-N 3.31Å; F629-W631 PolarHBondContact O-N 3.44Å
630	F	84.5	Confident	94.2	Very high	43 Å²	43	15.2 Å²	15.2	19%	0.189	8%	0.075	C	C	.	.	I	π-helix	trans	-68.6	-32.2	-178.6	-68.8	-91.5	0	0	0	112.7	I271 E272 W593 D626 I627 R634	I271-F630 HydrophobicContact CB-CD1 4.24Å; I271-F630 HydrophobicContact CB-CE1 3.47Å; I271-F630 VanDerWaalsContact CB-CE1 3.47Å; I271-F630 HydrophobicContact CB-CZ 3.83Å; I271-F630 HydrophobicContact CD1-CD1 4.47Å; I271-F630 HydrophobicContact CD1-CE1 4.5Å; I271-F630 HydrophobicContact CG2-CD1 4.15Å; I271-F630 HydrophobicContact CG2-CE1 3.31Å; I271-F630 HydrophobicContact CG2-CE2 3.77Å; I271-F630 HydrophobicContact CG2-CZ 3.1Å; E272-F630 HydrophobicContact CG-CE1 4.42Å; W593-F630 HydrophobicContact CD2-CB 4.42Å; W593-F630 HydrophobicContact CH2-CB 3.97Å; W593-F630 HydrophobicContact CZ2-CB 3.83Å; W593-F630 HydrophobicContact CZ2-CD1 4.22Å; W593-F630 HydrophobicContact CZ2-CG 4.33Å; W593-F630 HydrophobicContact CZ3-CB 4.35Å; D626-F630 VanDerWaalsContact O-CD2 3.22Å; D626-F630 WeakPolarHBondContact O-CD2 3.27Å; D626-F630 WeakPolarHBondContact O-CE2 3.45Å; I627-F630 PolarHBondContact O-N 3.14Å; F630-R634 VanDerWaalsContact O-CD 3.26Å; F630-R634 WeakPolarHBondContact O-CD 2.87Å; F630-R634 PolarHBondContact O-NH1 3.48Å
631	W	93.7	Very high	94.3	Very high	7 Å²	7	18.8 Å²	18.8	3%	0.027	9%	0.09	C	C	.	.	I	π-helix	trans	-131.3	-55.9	-167.9	-165.2	36	0	0	0	112.7	P103 P104 W593 S596 L599 I627 F629 A633 R634 M635	P103-W631 HydrophobicContact CB-CH2 4.03Å; P103-W631 HydrophobicContact CB-CZ3 3.78Å; P103-W631 HydrophobicContact CG-CZ3 4.18Å; P104-W631 HydrophobicContact CG-CH2 4.4Å; P104-W631 HydrophobicContact CG-CZ2 4.14Å; W593-W631 HydrophobicContact CE3-CB 3.79Å; W593-W631 AromaticContact CE3-CD1 3.66Å; W593-W631 AromaticContact CE3-CG 3.88Å; W593-W631 HydrophobicContact CE3-CG 3.88Å; W593-W631 HydrophobicContact CH2-CB 4.48Å; W593-W631 HydrophobicContact CZ3-CB 3.53Å; W593-W631 AromaticContact CZ3-CD1 3.89Å; W593-W631 HydrophobicContact CZ3-CD2 4.47Å; W593-W631 AromaticContact CZ3-CG 3.68Å; W593-W631 HydrophobicContact CZ3-CG 3.68Å; S596-W631 VanDerWaalsContact C-NE1 3.35Å; S596-W631 PolarHBondContact O-NE1 2.96Å; S596-W631 PolarHBondContact OG-NE1 3.29Å; L599-W631 HydrophobicContact CD1-CZ2 3.96Å; I627-W631 HydrophobicContact CD1-CE3 3.6Å; I627-W631 HydrophobicContact CD1-CZ3 4.23Å; I627-W631 PolarHBondContact O-N 2.69Å; F629-W631 VanDerWaalsContact C-N 3.31Å; F629-W631 PolarHBondContact O-N 3.44Å; W631-A633 PolarHBondContact O-N 3.06Å; W631-R634 PolarHBondContact O-N 3.15Å; W631-R634 VanDerWaalsContact O-N 3.13Å; W631-M635 HydrophobicContact CD2-CE 3.83Å; W631-M635 HydrophobicContact CD2-SD 4.05Å; W631-M635 HydrophobicContact CE3-CE 4.3Å; W631-M635 HydrophobicContact CE3-SD 4.43Å; W631-M635 HydrophobicContact CG-CE 4.48Å; W631-M635 HydrophobicContact CG-SD 4.35Å; W631-M635 HydrophobicContact CH2-CE 3.58Å; W631-M635 HydrophobicContact CZ2-CE 3.08Å; W631-M635 HydrophobicContact CZ2-SD 4.31Å; W631-M635 HydrophobicContact CZ3-CE 4.19Å; W631-M635 WeakPolarHBondContact O-CG 3.41Å; W631-M635 PolarHBondContact O-N 3.08Å
632	I	96.5	Very high	94.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.093	C	C	.	.	I	π-helix	trans	-64.6	-43.8	-173.4	-61.7	176.1	0	0	0	110.6	W512 L621 L628 R634 M635 V636 F648 V651 L653	W512-I632 HydrophobicContact CZ3-CG2 4.36Å; L621-I632 HydrophobicContact CD2-CD1 4.34Å; L621-I632 HydrophobicContact CD2-CG1 4.03Å; L628-I632 HydrophobicContact CD1-CB 4.04Å; L628-I632 HydrophobicContact CD1-CD1 4.26Å; L628-I632 HydrophobicContact CD1-CG2 3.9Å; L628-I632 WeakPolarHBondContact O-CB 3.43Å; L628-I632 PolarHBondContact O-N 2.83Å; I632-R634 VanDerWaalsContact C-N 3.29Å; I632-R634 PolarHBondContact O-N 3.26Å; I632-M635 WeakPolarHBondContact O-CB 3.2Å; I632-M635 PolarHBondContact O-N 3Å; I632-V636 WeakPolarHBondContact O-CG2 3.08Å; I632-V636 PolarHBondContact O-N 3.43Å; I632-F648 HydrophobicContact CG2-CE2 3.95Å; I632-F648 HydrophobicContact CG2-CZ 3.63Å; I632-V651 HydrophobicContact CD1-CG1 3.77Å; I632-V651 HydrophobicContact CG2-CG1 4.28Å; I632-V651 HydrophobicContact CG2-CG2 3.89Å; I632-L653 HydrophobicContact CD1-CD2 3.77Å
633	A	95	Very high	94.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-56	-43.8	174.4	0	0	0	0	0	112.4	W512 L628 W631 V636 M637	W512-A633 HydrophobicContact CH2-CB 4.02Å; W512-A633 HydrophobicContact CZ3-CB 3.86Å; L628-A633 PolarHBondContact O-N 3.39Å; W631-A633 PolarHBondContact O-N 3.06Å; A633-V636 PolarHBondContact O-N 3.07Å; A633-M637 HydrophobicContact CB-CE 4.4Å; A633-M637 WeakPolarHBondContact O-CB 3.21Å; A633-M637 WeakPolarHBondContact O-CG 3.37Å; A633-M637 PolarHBondContact O-N 2.66Å
634	R	95.3	Very high	94.5	Very high	19 Å²	19	24.2 Å²	24.2	7%	0.072	14%	0.136	C	C	.	.	H	α-helix	trans	-70.5	-37.2	179.3	-66.8	172.9	173.2	156.6	-14.3	112.4	W524 D591 A597 F630 W631 I632 V636 M637 L638	W524-R634 HydrophobicContact CE3-CG 4.36Å; W524-R634 HydrophobicContact CH2-CB 4.2Å; W524-R634 HydrophobicContact CH2-CG 3.98Å; W524-R634 HydrophobicContact CZ3-CB 4.22Å; W524-R634 HydrophobicContact CZ3-CG 3.91Å; W524-R634 VanDerWaalsContact NE1-NH2 3.11Å; D591-R634 IonicContact OD2-NH2 2.93Å; A597-R634 HydrophobicContact CB-CB 3.86Å; F630-R634 VanDerWaalsContact O-CD 3.26Å; F630-R634 WeakPolarHBondContact O-CD 2.87Å; F630-R634 PolarHBondContact O-NH1 3.48Å; W631-R634 PolarHBondContact O-N 3.15Å; W631-R634 VanDerWaalsContact O-N 3.13Å; I632-R634 VanDerWaalsContact C-N 3.29Å; I632-R634 PolarHBondContact O-N 3.26Å; R634-V636 VanDerWaalsContact C-N 3.29Å; R634-V636 PolarHBondContact O-N 3.24Å; R634-M637 PolarHBondContact O-N 2.83Å; R634-L638 WeakPolarHBondContact O-CB 3.45Å; R634-L638 WeakPolarHBondContact O-CG 3.48Å; R634-L638 PolarHBondContact O-N 3.02Å
635	M	97.8	Very high	94.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.1	-43.5	171.1	-72.6	169.4	145.7	0	0	111.2	I101 A597 L599 P600 L621 W631 I632 G639 P647 F648	I101-M635 HydrophobicContact CD1-CE 4.15Å; A597-M635 HydrophobicContact CB-CG 4.2Å; A597-M635 WeakPolarHBondContact O-CG 3.28Å; L599-M635 HydrophobicContact CB-CE 4.37Å; P600-M635 HydrophobicContact CG-CB 4.27Å; P600-M635 HydrophobicContact CG-CE 3.73Å; P600-M635 HydrophobicContact CG-CG 4.05Å; P600-M635 HydrophobicContact CG-SD 4.06Å; L621-M635 HydrophobicContact CD2-CE 4.46Å; L621-M635 HydrophobicContact CD2-SD 3.83Å; W631-M635 HydrophobicContact CD2-CE 3.83Å; W631-M635 HydrophobicContact CD2-SD 4.05Å; W631-M635 HydrophobicContact CE3-CE 4.3Å; W631-M635 HydrophobicContact CE3-SD 4.43Å; W631-M635 HydrophobicContact CG-CE 4.48Å; W631-M635 HydrophobicContact CG-SD 4.35Å; W631-M635 HydrophobicContact CH2-CE 3.58Å; W631-M635 HydrophobicContact CZ2-CE 3.08Å; W631-M635 HydrophobicContact CZ2-SD 4.31Å; W631-M635 HydrophobicContact CZ3-CE 4.19Å; W631-M635 WeakPolarHBondContact O-CG 3.41Å; W631-M635 PolarHBondContact O-N 3.08Å; I632-M635 WeakPolarHBondContact O-CB 3.2Å; I632-M635 PolarHBondContact O-N 3Å; M635-G639 WeakPolarHBondContact O-CA 3.31Å; M635-G639 PolarHBondContact O-N 3.22Å; M635-P647 HydrophobicContact CB-CG 4.29Å; M635-P647 WeakPolarHBondContact O-CG 3.49Å; M635-F648 HydrophobicContact CB-CE1 3.99Å; M635-F648 HydrophobicContact CB-CZ 4.2Å; M635-F648 HydrophobicContact SD-CE1 3.88Å; M635-F648 HydrophobicContact SD-CZ 4.47Å
636	V	98.1	Very high	94.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-67.7	-47.9	179.5	177.3	0	0	0	0	110.8	A492 L501 W512 I632 A633 R634 L638 G639 I640 P647 F648	A492-V636 HydrophobicContact CB-CB 4.34Å; A492-V636 HydrophobicContact CB-CG1 3.69Å; L501-V636 HydrophobicContact CD2-CG1 4.18Å; L501-V636 HydrophobicContact CD2-CG2 3.58Å; W512-V636 HydrophobicContact CH2-CB 4.15Å; W512-V636 HydrophobicContact CH2-CG2 3.95Å; W512-V636 HydrophobicContact CZ2-CB 4.39Å; W512-V636 HydrophobicContact CZ2-CG1 4.32Å; W512-V636 HydrophobicContact CZ2-CG2 4.43Å; I632-V636 WeakPolarHBondContact O-CG2 3.08Å; I632-V636 PolarHBondContact O-N 3.43Å; A633-V636 PolarHBondContact O-N 3.07Å; R634-V636 VanDerWaalsContact C-N 3.29Å; R634-V636 PolarHBondContact O-N 3.24Å; V636-L638 PolarHBondContact O-N 3.18Å; V636-G639 PolarHBondContact O-N 2.9Å; V636-I640 HydrophobicContact CG1-CD1 3.63Å; V636-I640 HydrophobicContact CG1-CG1 4.37Å; V636-I640 WeakPolarHBondContact O-CB 3.16Å; V636-I640 VanDerWaalsContact O-CG1 3.27Å; V636-I640 WeakPolarHBondContact O-CG1 3.43Å; V636-I640 PolarHBondContact O-N 3.04Å; V636-P647 HydrophobicContact CB-CG 4.5Å; V636-P647 HydrophobicContact CG2-CG 4Å; V636-F648 HydrophobicContact CG2-CE2 3.68Å; V636-F648 HydrophobicContact CG2-CZ 3.67Å
637	M	97.1	Very high	95.5	Very high	11 Å²	11	22.1 Å²	22.1	5%	0.054	12%	0.123	C	C	.	.	H	α-helix	trans	-53.4	-55.1	175.8	-74.4	171.1	-171.4	0	0	112	L488 A489 A492 L516 A633 R634 F641	L488-M637 HydrophobicContact CB-CB 3.88Å; L488-M637 HydrophobicContact CB-CG 3.88Å; L488-M637 HydrophobicContact CB-SD 4.48Å; A489-M637 HydrophobicContact CB-CE 3.93Å; A492-M637 HydrophobicContact CB-CG 4.19Å; L516-M637 HydrophobicContact CD2-CE 3.28Å; A633-M637 HydrophobicContact CB-CE 4.4Å; A633-M637 WeakPolarHBondContact O-CB 3.21Å; A633-M637 WeakPolarHBondContact O-CG 3.37Å; A633-M637 PolarHBondContact O-N 2.66Å; R634-M637 PolarHBondContact O-N 2.83Å; M637-F641 WeakPolarHBondContact O-CB 3.47Å; M637-F641 PolarHBondContact O-N 2.94Å
638	L	98.3	Very high	95.8	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-73.3	-37.6	-177.1	-63.2	-174.2	0	0	0	112.2	L245 W524 F594 A597 L598 R634 V636 F641 L642	L245-L638 HydrophobicContact CD1-CD2 3.93Å; L245-L638 HydrophobicContact CD2-CD2 4.39Å; W524-L638 HydrophobicContact CZ3-CD1 4.39Å; F594-L638 HydrophobicContact CD2-CD1 4.5Å; A597-L638 HydrophobicContact CB-CD1 3.82Å; L598-L638 HydrophobicContact CD2-CB 4.25Å; L598-L638 HydrophobicContact CD2-CD1 3.77Å; R634-L638 WeakPolarHBondContact O-CB 3.45Å; R634-L638 WeakPolarHBondContact O-CG 3.48Å; R634-L638 PolarHBondContact O-N 3.02Å; V636-L638 PolarHBondContact O-N 3.18Å; L638-F641 PolarHBondContact O-N 3.43Å; L638-L642 HydrophobicContact CB-CD1 4.27Å; L638-L642 VanDerWaalsContact O-CB 3.26Å; L638-L642 WeakPolarHBondContact O-CB 3.38Å; L638-L642 WeakPolarHBondContact O-CG 3.25Å; L638-L642 PolarHBondContact O-N 3.3Å
639	G	98	Very high	96	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.2	-49.7	177.6	0	0	0	0	0	111.9	M635 V636 F641 T643 Q645	M635-G639 WeakPolarHBondContact O-CA 3.31Å; M635-G639 PolarHBondContact O-N 3.22Å; V636-G639 PolarHBondContact O-N 2.9Å; G639-F641 PolarHBondContact O-N 2.93Å; G639-T643 WeakPolarHBondContact O-CB 3.45Å; G639-T643 PolarHBondContact O-N 3.13Å; G639-T643 PolarHBondContact O-OG1 3.18Å; G639-Q645 CarbonylContact C-O 3.5Å
640	I	98.4	Very high	96.5	Very high	35 Å²	35	22.9 Å²	22.9	18%	0.179	13%	0.125	C	C	.	.	H	α-helix	trans	-61.6	-46	178.1	-66.4	168.7	0	0	0	110.5	A491 A495 V636 G644 Q645 V646	A491-I640 HydrophobicContact CB-CD1 4.43Å; A491-I640 HydrophobicContact CB-CG2 4.18Å; A495-I640 HydrophobicContact CB-CD1 3.86Å; V636-I640 HydrophobicContact CG1-CD1 3.63Å; V636-I640 HydrophobicContact CG1-CG1 4.37Å; V636-I640 WeakPolarHBondContact O-CB 3.16Å; V636-I640 VanDerWaalsContact O-CG1 3.27Å; V636-I640 WeakPolarHBondContact O-CG1 3.43Å; V636-I640 PolarHBondContact O-N 3.04Å; I640-G644 WeakPolarHBondContact O-CA 3.34Å; I640-G644 PolarHBondContact O-N 3.5Å; I640-Q645 WeakPolarHBondContact CA-O 3.39Å; I640-Q645 PolarHBondContact N-O 3.15Å; I640-V646 HydrophobicContact CD1-CG1 4.26Å; I640-V646 HydrophobicContact CG1-CG1 4.22Å
641	F	98.4	Very high	97.1	Very high	75 Å²	75	20.8 Å²	20.8	33%	0.329	12%	0.116	S	C	.	.	H	α-helix	trans	-67.6	-46.1	-177.4	178.1	-96	0	0	0	113.2	L245 A248 L250 L488 M637 L638 G639	L245-F641 HydrophobicContact CD2-CD1 3.45Å; L245-F641 VanDerWaalsContact CD2-CD1 3.45Å; L245-F641 HydrophobicContact CD2-CE1 3.41Å; L245-F641 VanDerWaalsContact CD2-CE1 3.41Å; L245-F641 HydrophobicContact CD2-CG 4.24Å; L245-F641 HydrophobicContact CD2-CZ 4.14Å; L245-F641 HydrophobicContact CG-CD1 4.18Å; L245-F641 HydrophobicContact CG-CE1 3.92Å; A248-F641 HydrophobicContact CB-CE2 4.13Å; A248-F641 HydrophobicContact CB-CZ 3.54Å; L250-F641 HydrophobicContact CD1-CD2 3.81Å; L250-F641 HydrophobicContact CD1-CE1 4.27Å; L250-F641 HydrophobicContact CD1-CE2 3.4Å; L250-F641 VanDerWaalsContact CD1-CE2 3.4Å; L250-F641 HydrophobicContact CD1-CG 4.4Å; L250-F641 HydrophobicContact CD1-CZ 3.68Å; L488-F641 HydrophobicContact CD2-CB 3.63Å; L488-F641 HydrophobicContact CD2-CD2 3.92Å; L488-F641 HydrophobicContact CD2-CG 3.88Å; M637-F641 WeakPolarHBondContact O-CB 3.47Å; M637-F641 PolarHBondContact O-N 2.94Å; L638-F641 PolarHBondContact O-N 3.43Å; G639-F641 PolarHBondContact O-N 2.93Å
642	L	98	Very high	97.2	Very high	12 Å²	12	20.5 Å²	20.5	6%	0.063	12%	0.115	C	C	.	.	H	α-helix	trans	-84.3	-24.3	-172.3	-65.3	171.1	0	0	0	113.8	A241 R244 L598 F601 W606 L638	A241-L642 HydrophobicContact CB-CD1 3.67Å; A241-L642 HydrophobicContact CB-CD2 4.47Å; R244-L642 HydrophobicContact CB-CD2 3.89Å; L598-L642 HydrophobicContact CD2-CD1 3.68Å; F601-L642 HydrophobicContact CE2-CB 4.47Å; F601-L642 HydrophobicContact CE2-CD1 4.09Å; F601-L642 HydrophobicContact CZ-CB 4.44Å; F601-L642 HydrophobicContact CZ-CD1 3.9Å; W606-L642 HydrophobicContact CH2-CD1 4.14Å; W606-L642 HydrophobicContact CH2-CD2 4.44Å; W606-L642 HydrophobicContact CZ2-CB 4.04Å; W606-L642 HydrophobicContact CZ2-CD1 4.32Å; W606-L642 HydrophobicContact CZ2-CD2 4.24Å; W606-L642 HydrophobicContact CZ2-CG 4.43Å; L638-L642 HydrophobicContact CB-CD1 4.27Å; L638-L642 VanDerWaalsContact O-CB 3.26Å; L638-L642 WeakPolarHBondContact O-CB 3.38Å; L638-L642 WeakPolarHBondContact O-CG 3.25Å; L638-L642 PolarHBondContact O-N 3.3Å
643	T	96.9	Very high	97.2	Very high	41 Å²	41	20.6 Å²	20.6	25%	0.252	12%	0.115	S	C	.	.	H	α-helix	trans	-119.6	-12.4	-175	79.3	0	0	0	0	113.9	F601 Y616 G639 Q645	F601-T643 HydrophobicContact CB-CG2 4.18Å; F601-T643 HydrophobicContact CD1-CG2 4.01Å; F601-T643 HydrophobicContact CD2-CG2 4.05Å; F601-T643 HydrophobicContact CE1-CG2 4.4Å; F601-T643 HydrophobicContact CE2-CG2 4.41Å; F601-T643 HydrophobicContact CG-CG2 3.81Å; Y616-T643 HydrophobicContact CE1-CG2 3.83Å; Y616-T643 WeakPolarHBondContact CE1-OG1 3.27Å; Y616-T643 PolarHBondContact OH-OG1 3.4Å; G639-T643 WeakPolarHBondContact O-CB 3.45Å; G639-T643 PolarHBondContact O-N 3.13Å; G639-T643 PolarHBondContact O-OG1 3.18Å; T643-Q645 VanDerWaalsContact C-N 3.26Å; T643-Q645 PolarHBondContact O-N 2.9Å; T643-Q645 PolarHBondContact OG1-N 2.87Å; T643-Q645 PolarHBondContact OG1-O 3.35Å
644	G	96.7	Very high	97.2	Very high	67 Å²	67	21 Å²	21	69%	0.691	12%	0.117	S	C	*	.	S	Bend	trans	79.1	0.9	-176.2	0	0	0	0	0	114.9	I640	I640-G644 WeakPolarHBondContact O-CA 3.34Å; I640-G644 PolarHBondContact O-N 3.5Å
645	Q	96.7	Very high	97.1	Very high	76 Å²	76	20.1 Å²	20.1	36%	0.355	11%	0.114	S	C	.	.	S	Bend	trans	-141.5	164.7	-179.4	62.7	-179.5	-2.4	0	0	113	Y616 G639 I640 T643	Y616-Q645 HydrophobicContact CD1-CG 4.48Å; Y616-Q645 HydrophobicContact CE1-CG 3.63Å; Y616-Q645 PolarHBondContact OH-O 3.1Å; G639-Q645 CarbonylContact C-O 3.5Å; I640-Q645 WeakPolarHBondContact CA-O 3.39Å; I640-Q645 PolarHBondContact N-O 3.15Å; T643-Q645 VanDerWaalsContact C-N 3.26Å; T643-Q645 PolarHBondContact O-N 2.9Å; T643-Q645 PolarHBondContact OG1-N 2.87Å; T643-Q645 PolarHBondContact OG1-O 3.35Å
646	V	98.1	Very high	96.8	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.018	12%	0.122	C	C	.	.			trans	-65.3	141.9	176.4	-65.9	0	0	0	0	111.1	A495 Q500 L501 P617 I640 F648 K649	A495-V646 HydrophobicContact CB-CG1 3.76Å; Q500-V646 HydrophobicContact CB-CG1 4.14Å; L501-V646 HydrophobicContact CB-CG1 4.32Å; P617-V646 WeakPolarHBondContact CB-O 3.29Å; I640-V646 HydrophobicContact CD1-CG1 4.26Å; I640-V646 HydrophobicContact CG1-CG1 4.22Å; V646-F648 VanDerWaalsContact C-N 3.29Å; V646-F648 WeakPolarHBondContact CG2-O 3.28Å; V646-F648 PolarHBondContact O-N 2.88Å; V646-K649 HydrophobicContact CG2-CD 4.17Å
647	P	97.9	Very high	96.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-68.8	-25.1	-178.9	28.6	-38.3	0	0	0	114.6	P600 Y616 L618 M635 V636	P600-P647 HydrophobicContact CB-CB 3.57Å; P600-P647 HydrophobicContact CG-CB 3.79Å; Y616-P647 HydrophobicContact CE2-CB 4.33Å; Y616-P647 WeakPolarHBondContact OH-CA 3.32Å; L618-P647 WeakPolarHBondContact CB-O 3.49Å; L618-P647 PolarHBondContact N-O 3.23Å; M635-P647 HydrophobicContact CB-CG 4.29Å; M635-P647 WeakPolarHBondContact O-CG 3.49Å; V636-P647 HydrophobicContact CB-CG 4.5Å; V636-P647 HydrophobicContact CG2-CG 4Å
648	F	97.2	Very high	96.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	154.8	177.4	27.5	-96.9	0	0	0	109.6	L501 P600 L618 L621 I632 M635 V636 V646 V651	L501-F648 HydrophobicContact CD1-CD2 3.46Å; L501-F648 VanDerWaalsContact CD1-CD2 3.46Å; L501-F648 HydrophobicContact CD1-CE2 3.72Å; L501-F648 WeakPolarHBondContact CD1-O 3.28Å; L501-F648 HydrophobicContact CD2-CE2 4.18Å; P600-F648 HydrophobicContact CG-CE1 4.4Å; L618-F648 HydrophobicContact CB-CB 3.93Å; L618-F648 CarbonylContact O-C 3.54Å; L618-F648 WeakPolarHBondContact O-CA 3.27Å; L621-F648 HydrophobicContact CB-CD1 3.95Å; L621-F648 HydrophobicContact CB-CE1 4.39Å; L621-F648 HydrophobicContact CB-CG 4.12Å; L621-F648 HydrophobicContact CD2-CD1 4.04Å; L621-F648 HydrophobicContact CD2-CE1 3.67Å; L621-F648 HydrophobicContact CD2-CZ 4.19Å; I632-F648 HydrophobicContact CG2-CE2 3.95Å; I632-F648 HydrophobicContact CG2-CZ 3.63Å; M635-F648 HydrophobicContact CB-CE1 3.99Å; M635-F648 HydrophobicContact CB-CZ 4.2Å; M635-F648 HydrophobicContact SD-CE1 3.88Å; M635-F648 HydrophobicContact SD-CZ 4.47Å; V636-F648 HydrophobicContact CG2-CE2 3.68Å; V636-F648 HydrophobicContact CG2-CZ 3.67Å; V646-F648 VanDerWaalsContact C-N 3.29Å; V646-F648 WeakPolarHBondContact CG2-O 3.28Å; V646-F648 PolarHBondContact O-N 2.88Å; F648-V651 HydrophobicContact CD2-CG2 3.3Å; F648-V651 HydrophobicContact CE2-CG2 3.09Å; F648-V651 HydrophobicContact CG-CG2 4.32Å; F648-V651 HydrophobicContact CZ-CG2 3.97Å
649	K	96.6	Very high	95.9	Very high	88 Å²	88	22.8 Å²	22.8	38%	0.383	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-32	175.7	-58	-58.7	-175.1	-171.7	0	113.4	E502 P617 L618 V646	E502-K649 PolarHBondContact N-O 2.92Å; P617-K649 HydrophobicContact CG-CD 4.48Å; L618-K649 PolarHBondContact O-N 3.37Å; V646-K649 HydrophobicContact CG2-CD 4.17Å
650	T	96.8	Very high	95.3	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	138.1	-178.8	-55.5	0	0	0	0	111.1	E502 R619 L620 L621 I652	E502-T650 HydrophobicContact CB-CG2 4.39Å; E502-T650 CarbonylContact O-C 3.56Å; E502-T650 WeakPolarHBondContact O-CA 3.49Å; R619-T650 PolarHBondContact NH1-OG1 3.06Å; R619-T650 PolarHBondContact O-N 2.89Å; L620-T650 CarbonylContact C-O 3.58Å; L620-T650 WeakPolarHBondContact CA-O 3.28Å; L621-T650 PolarHBondContact N-O 3.44Å; T650-I652 HydrophobicContact CG2-CG1 4.25Å
651	V	97.3	Very high	94.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.2	168	178	0	0	0	0	108.7	L501 E502 L503 F504 L621 I632 F648 L653	L501-V651 HydrophobicContact CD1-CG2 3.98Å; E502-V651 PolarHBondContact O-N 2.94Å; L503-V651 HydrophobicContact CD2-CB 3.73Å; L503-V651 HydrophobicContact CD2-CG1 4.42Å; L503-V651 HydrophobicContact CD2-CG2 3.97Å; F504-V651 PolarHBondContact N-O 3.35Å; L621-V651 CarbonylContact O-C 3.55Å; L621-V651 VanDerWaalsContact O-CA 3.27Å; L621-V651 WeakPolarHBondContact O-CA 3.45Å; I632-V651 HydrophobicContact CD1-CG1 3.77Å; I632-V651 HydrophobicContact CG2-CG1 4.28Å; I632-V651 HydrophobicContact CG2-CG2 3.89Å; F648-V651 HydrophobicContact CD2-CG2 3.3Å; F648-V651 HydrophobicContact CE2-CG2 3.09Å; F648-V651 HydrophobicContact CG-CG2 4.32Å; F648-V651 HydrophobicContact CZ-CG2 3.97Å; V651-L653 HydrophobicContact CG1-CD1 4.44Å; V651-L653 HydrophobicContact CG1-CD2 3.63Å; V651-L653 HydrophobicContact CG1-CG 3.82Å
652	I	96.4	Very high	94.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.2	173.4	-57.9	172.1	0	0	0	107.4	I125 F504 L620 L621 E622 S623 T650 L711 W831	I125-I652 HydrophobicContact CD1-CD1 3.88Å; F504-I652 HydrophobicContact CD1-CG2 4.08Å; L620-I652 HydrophobicContact CD1-CD1 4.32Å; L621-I652 PolarHBondContact O-N 3.31Å; E622-I652 CarbonylContact C-O 3.41Å; E622-I652 VanDerWaalsContact CA-O 3.28Å; E622-I652 WeakPolarHBondContact CA-O 3.35Å; E622-I652 HydrophobicContact CB-CB 4.1Å; E622-I652 HydrophobicContact CG-CB 3.83Å; E622-I652 HydrophobicContact CG-CG2 3.84Å; S623-I652 PolarHBondContact N-O 3.06Å; T650-I652 HydrophobicContact CG2-CG1 4.25Å; I652-L711 HydrophobicContact CG2-CD1 4.18Å; I652-W831 HydrophobicContact CD1-CD2 3.53Å; I652-W831 HydrophobicContact CD1-CE3 3.82Å; I652-W831 HydrophobicContact CD1-CG 3.97Å; I652-W831 HydrophobicContact CD1-CH2 4.19Å; I652-W831 HydrophobicContact CD1-CZ2 3.94Å; I652-W831 HydrophobicContact CD1-CZ3 4.13Å; I652-W831 HydrophobicContact CG1-CD2 4.32Å; I652-W831 HydrophobicContact CG1-CG 4.35Å
653	L	95.8	Very high	93.8	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.8	-179.4	-61.6	172.7	0	0	0	110.8	F504 Q508 S623 Q625 L628 I632 V651	F504-L653 PolarHBondContact O-N 3.09Å; Q508-L653 HydrophobicContact CB-CD1 4.04Å; Q508-L653 HydrophobicContact CG-CD1 3.76Å; S623-L653 VanDerWaalsContact O-CA 3.28Å; S623-L653 WeakPolarHBondContact O-CA 3.49Å; Q625-L653 HydrophobicContact CB-CB 4.17Å; L628-L653 HydrophobicContact CB-CD1 4.37Å; L628-L653 HydrophobicContact CD1-CD1 3.84Å; L628-L653 HydrophobicContact CD1-CD2 4.43Å; L628-L653 HydrophobicContact CD2-CD1 3.77Å; L628-L653 HydrophobicContact CG-CD1 4.19Å; I632-L653 HydrophobicContact CD1-CD2 3.77Å; V651-L653 HydrophobicContact CG1-CD1 4.44Å; V651-L653 HydrophobicContact CG1-CD2 3.63Å; V651-L653 HydrophobicContact CG1-CG 3.82Å
654	H	95.3	Very high	93.3	Very high	9 Å²	9	35.3 Å²	35.3	4%	0.042	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	155.5	169.9	71.7	-85.8	0	0	0	111.6	L117 T118 I121 E622 S623 G624 Q625 L711 I716	L117-H654 VanDerWaalsContact CD2-CD2 3.41Å; L117-H654 WeakPolarHBondContact CD2-CD2 3.28Å; T118-H654 PolarHBondContact OG1-CE1 3.03Å; T118-H654 VanDerWaalsContact OG1-CE1 3.24Å; I121-H654 HydrophobicContact CD1-CB 4.33Å; E622-H654 IonicContact OE1-CE1 3.58Å; E622-H654 IonicContact OE1-CG 3.86Å; E622-H654 IonicContact OE1-ND1 3.27Å; E622-H654 PolarHBondContact OE1-ND1 3.22Å; S623-H654 VanDerWaalsContact C-CE1 3.46Å; S623-H654 VanDerWaalsContact C-ND1 3.3Å; S623-H654 PolarHBondContact O-N 3.1Å; S623-H654 PolarHBondContact O-ND1 3.28Å; S623-H654 VanDerWaalsContact O-ND1 3.13Å; G624-H654 VanDerWaalsContact CA-CE1 3.46Å; G624-H654 WeakPolarHBondContact CA-CE1 3.3Å; G624-H654 PolarHBondContact N-CE1 3.33Å; Q625-H654 PolarHBondContact N-O 2.93Å; H654-L711 HydrophobicContact CB-CB 4.46Å; H654-L711 HydrophobicContact CB-CD2 3.93Å; H654-I716 HydrophobicContact CB-CD1 4.32Å
655	G	92.6	Very high	92.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-61.6	159.1	174.9	0	0	0	0	0	114.6	V657 L711 Q713 S714	G655-V657 PolarHBondContact O-N 2.97Å; G655-L711 PolarHBondContact N-O 2.92Å; G655-Q713 WeakPolarHBondContact CA-O 3.39Å; G655-Q713 PolarHBondContact N-O 3.19Å; G655-S714 CarbonylContact C-O 3.59Å; G655-S714 WeakPolarHBondContact CA-O 3.23Å
656	L	91.5	Very high	92	Very high	34 Å²	34	31 Å²	31	18%	0.178	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	122.6	176.4	179.2	69.1	0	0	0	110.1	C658 K664 S714 H715 I716	L656-C658 PolarHBondContact O-N 2.75Å; L656-K664 HydrophobicContact CD1-CD 4.49Å; L656-K664 HydrophobicContact CD1-CG 4.41Å; L656-K664 HydrophobicContact CD2-CB 4.15Å; L656-K664 HydrophobicContact CD2-CD 4Å; L656-K664 HydrophobicContact CD2-CG 3.96Å; L656-S714 PolarHBondContact N-O 2.89Å; L656-H715 WeakPolarHBondContact O-CA 3.27Å; L656-I716 PolarHBondContact O-N 3.3Å
657	V	91.9	Very high	90.9	Very high	11 Å²	11	36.2 Å²	36.2	7%	0.067	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	121.2	177.8	-165.3	0	0	0	0	110.3	V113 L117 G655 M665 I716 F718	V113-V657 HydrophobicContact CG1-CG1 4.24Å; L117-V657 HydrophobicContact CD2-CG2 3.53Å; G655-V657 PolarHBondContact O-N 2.97Å; V657-M665 HydrophobicContact CB-CE 3.61Å; V657-M665 HydrophobicContact CG1-CE 3.37Å; V657-M665 WeakPolarHBondContact O-CE 3.15Å; V657-I716 WeakPolarHBondContact CA-O 3.47Å; V657-F718 HydrophobicContact CG1-CB 4.17Å
658	C	92.5	Very high	89.5	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.014	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	162.2	178.8	-69.4	0	0	0	0	110.9	L656 G662 Q663 I716 F718	L656-C658 PolarHBondContact O-N 2.75Å; C658-G662 PolarHBondContact SG-O 3.04Å; C658-G662 VanDerWaalsContact SG-O 3.4Å; C658-Q663 CarbonylContact C-O 3.59Å; C658-Q663 VanDerWaalsContact CA-O 3.27Å; C658-Q663 WeakPolarHBondContact CA-O 3.45Å; C658-Q663 WeakPolarHBondContact CB-O 3.46Å; C658-I716 PolarHBondContact N-O 3.06Å; C658-F718 PolarHBondContact O-N 3.25Å
659	D	90.1	Very high	88.5	Confident	21 Å²	21	47.3 Å²	47.3	11%	0.112	26%	0.259	C	S	.	.			trans	-68	176.8	166.6	67.3	26.4	0	0	0	111.9	T661 G662 Q663 N671	D659-T661 PolarHBondContact O-N 2.99Å; D659-T661 WeakPolarHBondContact OD1-CA 3.36Å; D659-T661 WeakPolarHBondContact OD1-CB 3.41Å; D659-T661 PolarHBondContact OD1-N 3.19Å; D659-T661 PolarHBondContact OD1-OG1 3.33Å; D659-G662 PolarHBondContact O-N 3.41Å; D659-G662 PolarHBondContact OD1-N 3.46Å; D659-G662 VanDerWaalsContact OD1-N 3.13Å; D659-Q663 PolarHBondContact N-O 3.34Å; D659-Q663 PolarHBondContact OD1-N 2.65Å; D659-N671 HydrophobicContact CB-CB 4.41Å; D659-N671 WeakPolarHBondContact OD2-CB 3.27Å; D659-N671 PolarHBondContact OD2-ND2 2.89Å
660	S	86.9	Confident	87.6	Confident	86 Å²	86	50.3 Å²	50.3	60%	0.601	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-14.1	-179.8	58.3	0	0	0	0	114.3	F718	S660-F718 PolarHBondContact N-O 2.88Å
661	T	87.4	Confident	87.1	Confident	98 Å²	98	51.5 Å²	51.5	60%	0.601	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-0.5	175.4	71.7	0	0	0	0	113.2	D659	D659-T661 PolarHBondContact O-N 2.99Å; D659-T661 WeakPolarHBondContact OD1-CA 3.36Å; D659-T661 WeakPolarHBondContact OD1-CB 3.41Å; D659-T661 PolarHBondContact OD1-N 3.19Å; D659-T661 PolarHBondContact OD1-OG1 3.33Å
662	G	87.8	Confident	86.5	Confident	32 Å²	32	53.3 Å²	53.3	33%	0.33	30%	0.298	S	S	.	.	S	Bend	trans	83.5	8.1	-178.5	0	0	0	0	0	114.3	C658 D659 N717	C658-G662 PolarHBondContact SG-O 3.04Å; C658-G662 VanDerWaalsContact SG-O 3.4Å; D659-G662 PolarHBondContact O-N 3.41Å; D659-G662 PolarHBondContact OD1-N 3.46Å; D659-G662 VanDerWaalsContact OD1-N 3.13Å; G662-N717 WeakPolarHBondContact CA-OD1 3.15Å
663	Q	87.1	Confident	86.2	Confident	94 Å²	94	54.1 Å²	54.1	44%	0.439	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-83.2	139.7	175.7	-62.1	-169.8	34.2	0	0	111.5	C658 D659 M665	C658-Q663 CarbonylContact C-O 3.59Å; C658-Q663 VanDerWaalsContact CA-O 3.27Å; C658-Q663 WeakPolarHBondContact CA-O 3.45Å; C658-Q663 WeakPolarHBondContact CB-O 3.46Å; D659-Q663 PolarHBondContact N-O 3.34Å; D659-Q663 PolarHBondContact OD1-N 2.65Å; Q663-M665 PolarHBondContact O-N 3.33Å
664	K	87	Confident	86	Confident	117 Å²	117	55.6 Å²	55.6	51%	0.509	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-51.5	127.1	168.5	-177.3	174.5	-174.2	172.6	0	109.7	L656 S666 N671	L656-K664 HydrophobicContact CD1-CD 4.49Å; L656-K664 HydrophobicContact CD1-CG 4.41Å; L656-K664 HydrophobicContact CD2-CB 4.15Å; L656-K664 HydrophobicContact CD2-CD 4Å; L656-K664 HydrophobicContact CD2-CG 3.96Å; K664-S666 PolarHBondContact O-N 2.86Å; K664-N671 PolarHBondContact O-ND2 2.83Å
665	M	85.6	Confident	85.9	Confident	20 Å²	20	55.3 Å²	55.3	10%	0.099	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-66.4	131.5	175.6	-75.2	-175.4	-71.5	0	0	110.7	V113 V657 Q663 N671	V113-M665 HydrophobicContact CG1-CE 3.56Å; V113-M665 HydrophobicContact CG1-SD 3.67Å; V657-M665 HydrophobicContact CB-CE 3.61Å; V657-M665 HydrophobicContact CG1-CE 3.37Å; V657-M665 WeakPolarHBondContact O-CE 3.15Å; Q663-M665 PolarHBondContact O-N 3.33Å; M665-N671 WeakPolarHBondContact CA-OD1 3.35Å
666	S	80.3	Confident	86	Confident	32 Å²	32	56.9 Å²	56.9	22%	0.224	32%	0.318	C	S	.	.			trans	-145.3	151.6	169	82.1	0	0	0	0	111.4	K664 S668 K669 N670 N671 S672	K664-S666 PolarHBondContact O-N 2.86Å; S666-S668 VanDerWaalsContact C-N 3.26Å; S666-S668 PolarHBondContact O-N 2.89Å; S666-S668 PolarHBondContact OG-OG 2.68Å; S666-K669 PolarHBondContact O-N 3.42Å; S666-K669 WeakPolarHBondContact OG-CB 3.24Å; S666-K669 VanDerWaalsContact OG-CG 3.29Å; S666-K669 WeakPolarHBondContact OG-CG 3.49Å; S666-K669 PolarHBondContact OG-N 3.34Å; S666-N670 PolarHBondContact O-N 3.32Å; S666-N671 PolarHBondContact N-OD1 3.11Å; S666-N671 PolarHBondContact O-OD1 3.41Å; S666-S672 WeakPolarHBondContact CA-OG 3.48Å; S666-S672 PolarHBondContact N-OG 3.2Å; S666-S672 PolarHBondContact O-OG 3.3Å; S666-S672 VanDerWaalsContact O-OG 3.06Å
667	K	74.7	Confident	86.1	Confident	112 Å²	112	61.3 Å²	61.3	49%	0.487	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-33.7	175.5	-68.1	176.6	179.2	170.2	0	111.1	T108 N670 S672	T108-K667 PolarHBondContact O-NZ 3.18Å; K667-N670 PolarHBondContact O-N 2.98Å; K667-S672 PolarHBondContact N-OG 3.05Å
668	S	68.8	Low	86.2	Confident	117 Å²	117	60.8 Å²	60.8	82%	0.818	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-33.4	178.1	52.5	0	0	0	0	113.3	S666 N670	S666-S668 VanDerWaalsContact C-N 3.26Å; S666-S668 PolarHBondContact O-N 2.89Å; S666-S668 PolarHBondContact OG-OG 2.68Å; S668-N670 VanDerWaalsContact C-N 3.29Å
669	K	75.7	Confident	86.3	Confident	116 Å²	116	60.9 Å²	60.9	50%	0.504	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-6.2	174.3	-70.5	-179.7	176.4	-167	0	113.6	S666 N671	S666-K669 PolarHBondContact O-N 3.42Å; S666-K669 WeakPolarHBondContact OG-CB 3.24Å; S666-K669 VanDerWaalsContact OG-CG 3.29Å; S666-K669 WeakPolarHBondContact OG-CG 3.49Å; S666-K669 PolarHBondContact OG-N 3.34Å; K669-N671 PolarHBondContact O-N 3.38Å; K669-N671 VanDerWaalsContact O-N 3.1Å
670	N	78.5	Confident	86.6	Confident	152 Å²	152	65.3 Å²	65.3	81%	0.813	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	25.3	-177.1	-161.8	36.2	0	0	0	114.2	S666 K667 S668	S666-N670 PolarHBondContact O-N 3.32Å; K667-N670 PolarHBondContact O-N 2.98Å; S668-N670 VanDerWaalsContact C-N 3.29Å
671	N	86.5	Confident	86.9	Confident	27 Å²	27	62 Å²	62	14%	0.144	33%	0.331	C	S	.	.			trans	-103.1	0.8	176.5	68.6	-17.5	0	0	0	112.8	D659 K664 M665 S666 K669 V673	D659-N671 HydrophobicContact CB-CB 4.41Å; D659-N671 WeakPolarHBondContact OD2-CB 3.27Å; D659-N671 PolarHBondContact OD2-ND2 2.89Å; K664-N671 PolarHBondContact O-ND2 2.83Å; M665-N671 WeakPolarHBondContact CA-OD1 3.35Å; S666-N671 PolarHBondContact N-OD1 3.11Å; S666-N671 PolarHBondContact O-OD1 3.41Å; K669-N671 PolarHBondContact O-N 3.38Å; K669-N671 VanDerWaalsContact O-N 3.1Å; N671-V673 PolarHBondContact O-N 3.02Å
672	S	84.9	Confident	87.2	Confident	37 Å²	37	58.8 Å²	58.8	26%	0.259	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-72	123.7	177.2	-63.1	0	0	0	0	111.6	S666 K667	S666-S672 WeakPolarHBondContact CA-OG 3.48Å; S666-S672 PolarHBondContact N-OG 3.2Å; S666-S672 PolarHBondContact O-OG 3.3Å; S666-S672 VanDerWaalsContact O-OG 3.06Å; K667-S672 PolarHBondContact N-OG 3.05Å
673	V	89.1	Confident	87.3	Confident	17 Å²	17	58.3 Å²	58.3	10%	0.103	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-91.6	120.6	-179.6	-175.2	0	0	0	0	110.7	H112 V113 N671 I678 F718	H112-V673 CarbonylContact C-O 3.5Å; H112-V673 WeakPolarHBondContact CA-O 3.39Å; H112-V673 WeakPolarHBondContact CB-O 3.45Å; V113-V673 HydrophobicContact CB-CB 4.49Å; V113-V673 HydrophobicContact CG1-CB 4.3Å; V113-V673 PolarHBondContact N-O 3.21Å; N671-V673 PolarHBondContact O-N 3.02Å; V673-I678 HydrophobicContact CG1-CD1 3.68Å; V673-I678 HydrophobicContact CG1-CG1 4.32Å; V673-F718 HydrophobicContact CG1-CE1 4.33Å
674	N	91.9	Very high	87.4	Confident	34 Å²	34	59.3 Å²	59.3	18%	0.182	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-79.8	121.2	172.7	-180	-18.9	0	0	0	109.6	Q213 L676 K677	Q213-N674 PolarHBondContact NE2-OD1 3.03Å; N674-L676 PolarHBondContact O-N 2.9Å; N674-L676 WeakPolarHBondContact OD1-CB 3.05Å; N674-L676 PolarHBondContact OD1-N 2.63Å; N674-K677 HydrophobicContact CB-CD 4.43Å; N674-K677 HydrophobicContact CB-CG 4.27Å; N674-K677 WeakPolarHBondContact O-CB 3.44Å; N674-K677 PolarHBondContact O-N 3.31Å; N674-K677 VanDerWaalsContact O-N 3.08Å
675	P	93.6	Very high	87.6	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.019	29%	0.294	C	S	.	.	H	α-helix	trans	-59.4	-30.4	-178	24.4	-34.3	0	0	0	113.4	L111 A116 K677 I678 I679 L702	L111-P675 WeakPolarHBondContact O-CD 3.26Å; A116-P675 HydrophobicContact CB-CB 4.21Å; P675-K677 PolarHBondContact O-N 2.85Å; P675-I678 WeakPolarHBondContact O-CA 3.41Å; P675-I678 WeakPolarHBondContact O-CB 3.3Å; P675-I678 PolarHBondContact O-N 3.09Å; P675-I679 HydrophobicContact CB-CD1 4.42Å; P675-I679 WeakPolarHBondContact O-CG1 3.48Å; P675-I679 PolarHBondContact O-N 3.13Å; P675-L702 HydrophobicContact CB-CD2 3.92Å
676	L	93.8	Very high	87.8	Confident	33 Å²	33	56.5 Å²	56.5	17%	0.173	31%	0.308	C	S	.	.	H	α-helix	trans	-63.6	-29.6	178.1	-65.5	-175.9	0	0	0	113.1	Q213 N674 I678 I679 H680	Q213-L676 HydrophobicContact CG-CD1 3.66Å; Q213-L676 HydrophobicContact CG-CD2 4.38Å; Q213-L676 HydrophobicContact CG-CG 3.89Å; N674-L676 PolarHBondContact O-N 2.9Å; N674-L676 WeakPolarHBondContact OD1-CB 3.05Å; N674-L676 PolarHBondContact OD1-N 2.63Å; L676-I678 PolarHBondContact O-N 3.17Å; L676-I679 PolarHBondContact O-N 3.49Å; L676-H680 PolarHBondContact O-N 3.33Å
677	K	93.2	Very high	88.2	Confident	126 Å²	126	62.9 Å²	62.9	55%	0.548	33%	0.332	S	S	.	.	H	α-helix	trans	-66.6	-24.3	175	-67.4	-175	176.6	-177.7	0	112.2	N674 P675 G681 I682 G683	N674-K677 HydrophobicContact CB-CD 4.43Å; N674-K677 HydrophobicContact CB-CG 4.27Å; N674-K677 WeakPolarHBondContact O-CB 3.44Å; N674-K677 PolarHBondContact O-N 3.31Å; N674-K677 VanDerWaalsContact O-N 3.08Å; P675-K677 PolarHBondContact O-N 2.85Å; K677-G681 CarbonylContact O-C 3.55Å; K677-G681 VanDerWaalsContact O-C 3.26Å; K677-G681 VanDerWaalsContact O-CA 3.26Å; K677-G681 WeakPolarHBondContact O-CA 3.49Å; K677-G681 PolarHBondContact O-N 3.49Å; K677-I682 PolarHBondContact O-N 2.95Å; K677-G683 PolarHBondContact O-N 2.88Å
678	I	94.5	Very high	88.9	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-88.3	-49.2	176.1	-65	173.3	0	0	0	109.6	V673 P675 L676 G681 L697 L702 F718 E720 V723	V673-I678 HydrophobicContact CG1-CD1 3.68Å; V673-I678 HydrophobicContact CG1-CG1 4.32Å; P675-I678 WeakPolarHBondContact O-CA 3.41Å; P675-I678 WeakPolarHBondContact O-CB 3.3Å; P675-I678 PolarHBondContact O-N 3.09Å; L676-I678 PolarHBondContact O-N 3.17Å; I678-G681 CarbonylContact O-C 3.39Å; I678-G681 PolarHBondContact O-N 3.45Å; I678-L697 HydrophobicContact CG2-CB 4.19Å; I678-L697 HydrophobicContact CG2-CD1 3.94Å; I678-L697 WeakPolarHBondContact O-CB 3.16Å; I678-L702 HydrophobicContact CD1-CD1 4.29Å; I678-L702 HydrophobicContact CG2-CB 4.18Å; I678-L702 HydrophobicContact CG2-CD1 4.24Å; I678-L702 HydrophobicContact CG2-CD2 4.31Å; I678-L702 HydrophobicContact CG2-CG 4.47Å; I678-F718 HydrophobicContact CD1-CE1 3.82Å; I678-F718 HydrophobicContact CD1-CZ 3.72Å; I678-E720 HydrophobicContact CD1-CG 4.27Å; I678-V723 HydrophobicContact CG2-CB 4.48Å; I678-V723 HydrophobicContact CG2-CG1 3.72Å; I678-V723 HydrophobicContact CG2-CG2 4.48Å
679	I	95.7	Very high	89.9	Confident	5 Å²	5	63.5 Å²	63.5	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-62.1	-50.8	-177	-63.2	169.9	0	0	0	110.7	L217 P675 L676 G698 A699 L702	L217-I679 HydrophobicContact CD2-CD1 3.77Å; L217-I679 HydrophobicContact CG-CD1 4.18Å; P675-I679 HydrophobicContact CB-CD1 4.42Å; P675-I679 WeakPolarHBondContact O-CG1 3.48Å; P675-I679 PolarHBondContact O-N 3.13Å; L676-I679 PolarHBondContact O-N 3.49Å; I679-G698 PolarHBondContact O-N 3.28Å; I679-A699 HydrophobicContact CD1-CB 4.34Å; I679-A699 HydrophobicContact CG1-CB 4.28Å; I679-A699 HydrophobicContact CG2-CB 4.13Å; I679-L702 HydrophobicContact CD1-CD2 4.16Å; I679-L702 HydrophobicContact CG1-CD2 3.89Å
680	H	94.8	Very high	90.5	Very high	114 Å²	114	58.4 Å²	58.4	53%	0.528	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	18.7	-177.8	-55.4	-53.2	0	0	0	113.1	S216 L676	S216-H680 PolarHBondContact OG-NE2 3.48Å; L676-H680 PolarHBondContact O-N 3.33Å
681	G	94.6	Very high	90.9	Very high	15 Å²	15	52.7 Å²	52.7	16%	0.155	28%	0.284	C	S	.	.	S	Bend	trans	-164.3	-156.7	-177.3	0	0	0	0	0	113	K677 I678 V696 L697	K677-G681 CarbonylContact O-C 3.55Å; K677-G681 VanDerWaalsContact O-C 3.26Å; K677-G681 VanDerWaalsContact O-CA 3.26Å; K677-G681 WeakPolarHBondContact O-CA 3.49Å; K677-G681 PolarHBondContact O-N 3.49Å; I678-G681 CarbonylContact O-C 3.39Å; I678-G681 PolarHBondContact O-N 3.45Å; G681-V696 CarbonylContact O-C 3.2Å; G681-V696 VanDerWaalsContact O-CA 3.31Å; G681-V696 WeakPolarHBondContact O-CA 3.46Å; G681-L697 PolarHBondContact O-N 3.08Å
682	I	92.9	Very high	90.8	Very high	32 Å²	32	57.3 Å²	57.3	16%	0.164	32%	0.318	C	S	.	.			trans	-114.2	15.1	-179.8	64.5	172.6	0	0	0	112.6	K677 L685 K687 V690 Q695	K677-I682 PolarHBondContact O-N 2.95Å; I682-L685 VanDerWaalsContact O-CB 3.32Å; I682-L685 WeakPolarHBondContact O-CB 3.34Å; I682-L685 WeakPolarHBondContact O-CG 3.42Å; I682-L685 PolarHBondContact O-N 2.86Å; I682-K687 HydrophobicContact CD1-CG 4Å; I682-V690 HydrophobicContact CB-CG2 4.37Å; I682-V690 HydrophobicContact CD1-CG2 4.42Å; I682-V690 HydrophobicContact CG2-CG1 4.03Å; I682-Q695 WeakPolarHBondContact CG2-O 3.32Å
683	G	89.8	Confident	90.9	Very high	22 Å²	22	60.4 Å²	60.4	23%	0.227	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	-138.1	-172.8	0	0	0	0	0	112.2	K677 E720	K677-G683 PolarHBondContact O-N 2.88Å; G683-E720 WeakPolarHBondContact CA-OE2 3.35Å
684	N	90.2	Very high	90.9	Very high	115 Å²	115	60.6 Å²	60.6	62%	0.615	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	8	172.9	-56.2	-62.9	0	0	0	112.7	E720	N684-E720 WeakPolarHBondContact CA-OE2 3.29Å; N684-E720 PolarHBondContact N-OE1 3.3Å; N684-E720 PolarHBondContact N-OE2 3.07Å; N684-E720 PolarHBondContact ND2-OE1 2.94Å
685	L	90.9	Very high	90.8	Very high	16 Å²	16	66.5 Å²	66.5	8%	0.084	37%	0.367	C	S	.	.			trans	-61.6	140.4	-178.9	-67	172.1	0	0	0	112.3	I682 K687 V690 L697 E720 L724	I682-L685 VanDerWaalsContact O-CB 3.32Å; I682-L685 WeakPolarHBondContact O-CB 3.34Å; I682-L685 WeakPolarHBondContact O-CG 3.42Å; I682-L685 PolarHBondContact O-N 2.86Å; L685-K687 PolarHBondContact O-N 3.48Å; L685-V690 HydrophobicContact CB-CG2 3.59Å; L685-V690 HydrophobicContact CD1-CG2 3.92Å; L685-V690 HydrophobicContact CG-CG2 4.41Å; L685-L697 HydrophobicContact CD1-CD1 4.02Å; L685-E720 HydrophobicContact CD1-CB 4.24Å; L685-E720 HydrophobicContact CD2-CB 3.71Å; L685-E720 HydrophobicContact CG-CB 3.82Å; L685-E720 PolarHBondContact N-OE2 2.92Å; L685-L724 HydrophobicContact CD1-CB 3.92Å; L685-L724 HydrophobicContact CD1-CD2 4.36Å
686	P	90.3	Very high	90.9	Very high	62 Å²	62	67.3 Å²	67.3	40%	0.403	37%	0.372	S	S	.	.			trans	-62.5	136	173	-20.2	31.7	0	0	0	111.5	E688 T689 V690	P686-E688 WeakPolarHBondContact CB-OE2 3.32Å; P686-E688 PolarHBondContact O-N 2.88Å; P686-E688 VanDerWaalsContact O-N 3.17Å; P686-T689 PolarHBondContact O-N 3.2Å; P686-V690 PolarHBondContact O-N 3.34Å
687	K	88.5	Confident	91	Very high	166 Å²	166	65.8 Å²	65.8	72%	0.722	36%	0.364	S	S	*	.	H	α-helix	trans	-59.9	-27.9	177.7	-71.4	-176.2	178.2	179.1	0	112.4	I682 L685 G691	I682-K687 HydrophobicContact CD1-CG 4Å; L685-K687 PolarHBondContact O-N 3.48Å; K687-G691 PolarHBondContact O-N 3.48Å
688	E	88.9	Confident	91.2	Very high	170 Å²	170	59.8 Å²	59.8	79%	0.794	34%	0.338	S	S	*	.	H	α-helix	trans	-67.7	-36.2	175.9	-54.1	90.9	-177.5	0	0	112.6	P686	P686-E688 WeakPolarHBondContact CB-OE2 3.32Å; P686-E688 PolarHBondContact O-N 2.88Å; P686-E688 VanDerWaalsContact O-N 3.17Å
689	T	88.7	Confident	91.3	Very high	72 Å²	72	59.8 Å²	59.8	44%	0.442	34%	0.338	S	S	.	.	H	α-helix	trans	-73.5	-38.9	179.3	-55.4	0	0	0	0	111.6	P686 L724	P686-T689 PolarHBondContact O-N 3.2Å; T689-L724 HydrophobicContact CG2-CD2 4.06Å
690	V	89.6	Confident	91.5	Very high	8 Å²	8	59.5 Å²	59.5	5%	0.048	34%	0.336	C	S	.	.	H	α-helix	trans	-76	-37	-178.2	178.8	0	0	0	0	111.8	I682 L685 P686 I694 L724	I682-V690 HydrophobicContact CB-CG2 4.37Å; I682-V690 HydrophobicContact CD1-CG2 4.42Å; I682-V690 HydrophobicContact CG2-CG1 4.03Å; L685-V690 HydrophobicContact CB-CG2 3.59Å; L685-V690 HydrophobicContact CD1-CG2 3.92Å; L685-V690 HydrophobicContact CG-CG2 4.41Å; P686-V690 PolarHBondContact O-N 3.34Å; V690-I694 HydrophobicContact CG1-CB 3.62Å; V690-I694 HydrophobicContact CG1-CG2 3.78Å; V690-I694 WeakPolarHBondContact CG1-O 3.46Å; V690-L724 HydrophobicContact CG1-CD1 4.23Å; V690-L724 HydrophobicContact CG2-CD1 4.44Å; V690-L724 HydrophobicContact CG2-CD2 4.18Å
691	G	86.6	Confident	91.6	Very high	32 Å²	32	54.1 Å²	54.1	33%	0.33	31%	0.311	S	S	.	.			trans	81.6	164.1	-172.8	0	0	0	0	0	112.9	K687 S693	K687-G691 PolarHBondContact O-N 3.48Å; G691-S693 VanDerWaalsContact C-N 3.27Å; G691-S693 PolarHBondContact O-N 3.18Å
692	S	85.1	Confident	91.8	Very high	124 Å²	124	53.4 Å²	53.4	87%	0.867	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-14.4	-174.2	56.1	0	0	0	0	114.7
693	S	85.3	Confident	92	Very high	103 Å²	103	51.9 Å²	51.9	72%	0.72	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-22.6	-175.7	54.5	0	0	0	0	114.1	G691	G691-S693 VanDerWaalsContact C-N 3.27Å; G691-S693 PolarHBondContact O-N 3.18Å
694	I	90.5	Very high	92.4	Very high	20 Å²	20	50.8 Å²	50.8	10%	0.103	29%	0.285	C	S	.	.			trans	-104.7	112.5	-177.5	-62	172.4	0	0	0	108.2	V690 L697 L724 R727 K728	V690-I694 HydrophobicContact CG1-CB 3.62Å; V690-I694 HydrophobicContact CG1-CG2 3.78Å; V690-I694 WeakPolarHBondContact CG1-O 3.46Å; I694-L697 HydrophobicContact CG2-CD2 4.07Å; I694-L724 HydrophobicContact CD1-CD1 3.89Å; I694-R727 HydrophobicContact CG2-CG 4.34Å; I694-K728 HydrophobicContact CD1-CG 4.48Å
695	Q	89.6	Confident	92.8	Very high	159 Å²	159	45.4 Å²	45.4	74%	0.743	26%	0.256	S	S	*	.	S	Bend	trans	-102	-24.4	177.7	-62.8	-179.1	3	0	0	112.7	I682	I682-Q695 WeakPolarHBondContact CG2-O 3.32Å
696	V	94.6	Very high	93	Very high	20 Å²	20	44.7 Å²	44.7	12%	0.121	25%	0.253	C	S	.	.			trans	-139.8	142.8	-179.2	-61.5	0	0	0	0	109.9	P64 G681	P64-V696 HydrophobicContact CB-CG2 3.83Å; P64-V696 HydrophobicContact CG-CG2 3.89Å; G681-V696 CarbonylContact O-C 3.2Å; G681-V696 VanDerWaalsContact O-CA 3.31Å; G681-V696 WeakPolarHBondContact O-CA 3.46Å
697	L	96.9	Very high	93.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.234	C	C	.	.			trans	-89	-35.6	177.6	-61	174.1	0	0	0	112.6	I678 G681 L685 I694 A701 V723 L724 R727	I678-L697 HydrophobicContact CG2-CB 4.19Å; I678-L697 HydrophobicContact CG2-CD1 3.94Å; I678-L697 WeakPolarHBondContact O-CB 3.16Å; G681-L697 PolarHBondContact O-N 3.08Å; L685-L697 HydrophobicContact CD1-CD1 4.02Å; I694-L697 HydrophobicContact CG2-CD2 4.07Å; L697-A701 VanDerWaalsContact O-CB 3.27Å; L697-A701 WeakPolarHBondContact O-CB 3.31Å; L697-V723 HydrophobicContact CB-CG1 4.01Å; L697-V723 HydrophobicContact CD1-CB 4.28Å; L697-V723 HydrophobicContact CD1-CG1 3.93Å; L697-L724 HydrophobicContact CD2-CB 4.33Å; L697-L724 HydrophobicContact CD2-CD1 3.86Å; L697-R727 HydrophobicContact CD2-CB 4.07Å; L697-R727 HydrophobicContact CD2-CG 4.13Å; L697-R727 VanDerWaalsContact O-CD 3.3Å; L697-R727 WeakPolarHBondContact O-CD 3.21Å
698	G	96.9	Very high	93.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.211	C	C	.	.			trans	85.6	159.5	178.9	0	0	0	0	0	114.7	E68 I679 L702	E68-G698 WeakPolarHBondContact OE2-CA 3.49Å; I679-G698 PolarHBondContact O-N 3.28Å; G698-L702 PolarHBondContact O-N 2.91Å
699	A	97.7	Very high	93.8	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-69.4	-42.2	179.9	0	0	0	0	0	112.3	E68 S216 I679 A701 L702 R703	E68-A699 PolarHBondContact OE1-N 2.7Å; E68-A699 PolarHBondContact OE2-N 3.27Å; S216-A699 VanDerWaalsContact O-CB 3.3Å; S216-A699 WeakPolarHBondContact O-CB 3.45Å; I679-A699 HydrophobicContact CD1-CB 4.34Å; I679-A699 HydrophobicContact CG1-CB 4.28Å; I679-A699 HydrophobicContact CG2-CB 4.13Å; A699-A701 VanDerWaalsContact C-N 3.31Å; A699-A701 PolarHBondContact O-N 2.87Å; A699-L702 PolarHBondContact O-N 3.33Å; A699-R703 WeakPolarHBondContact O-CB 3.28Å; A699-R703 WeakPolarHBondContact O-CG 3.43Å; A699-R703 PolarHBondContact O-N 3.47Å
700	D	98.3	Very high	93.9	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.4	-39.4	-178.8	-79.3	6.6	0	0	0	111.5	E68 A704 M887 P888 H889 L890	E68-D700 PolarHBondContact OE1-N 3.16Å; D700-A704 VanDerWaalsContact O-CB 3.3Å; D700-A704 WeakPolarHBondContact O-CB 3.37Å; D700-A704 PolarHBondContact O-N 3.45Å; D700-M887 HydrophobicContact CB-CB 3.96Å; D700-M887 HydrophobicContact CB-CG 4.01Å; D700-M887 VanDerWaalsContact CG-CA 3.42Å; D700-M887 WeakPolarHBondContact OD2-CA 3.3Å; D700-P888 WeakPolarHBondContact OD1-CD 3.38Å; D700-H889 IonicContact OD1-CE1 3.32Å; D700-H889 IonicContact OD1-CG 3.69Å; D700-H889 PolarHBondContact OD1-N 3.23Å; D700-H889 IonicContact OD1-ND1 3.08Å; D700-H889 PolarHBondContact OD1-ND1 3.22Å; D700-H889 PolarHBondContact OD2-N 3.01Å; D700-H889 VanDerWaalsContact OD2-N 3.13Å; D700-L890 VanDerWaalsContact OD2-CB 3.28Å; D700-L890 WeakPolarHBondContact OD2-CB 3.47Å; D700-L890 PolarHBondContact OD2-N 3.3Å
701	A	98.1	Very high	93.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.1	-42.3	175.1	0	0	0	0	0	111.9	L697 A699 A705 V723 M726 R727	L697-A701 VanDerWaalsContact O-CB 3.27Å; L697-A701 WeakPolarHBondContact O-CB 3.31Å; A699-A701 VanDerWaalsContact C-N 3.31Å; A699-A701 PolarHBondContact O-N 2.87Å; A701-A705 VanDerWaalsContact O-CB 3.3Å; A701-A705 WeakPolarHBondContact O-CB 3.48Å; A701-A705 PolarHBondContact O-N 3.08Å; A701-V723 HydrophobicContact CB-CG1 4.16Å; A701-M726 HydrophobicContact CB-CB 4.13Å; A701-M726 WeakPolarHBondContact O-CB 3.37Å; A701-R727 HydrophobicContact CB-CB 3.84Å
702	L	98.1	Very high	93.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.1	-49	176.6	173.1	58.7	0	0	0	111.2	V113 L217 P675 I678 I679 G698 A699 A704 A705 L706 F718 V723	V113-L702 HydrophobicContact CG2-CD1 4.33Å; L217-L702 HydrophobicContact CD2-CD2 4.2Å; P675-L702 HydrophobicContact CB-CD2 3.92Å; I678-L702 HydrophobicContact CD1-CD1 4.29Å; I678-L702 HydrophobicContact CG2-CB 4.18Å; I678-L702 HydrophobicContact CG2-CD1 4.24Å; I678-L702 HydrophobicContact CG2-CD2 4.31Å; I678-L702 HydrophobicContact CG2-CG 4.47Å; I679-L702 HydrophobicContact CD1-CD2 4.16Å; I679-L702 HydrophobicContact CG1-CD2 3.89Å; G698-L702 PolarHBondContact O-N 2.91Å; A699-L702 PolarHBondContact O-N 3.33Å; L702-A704 PolarHBondContact O-N 3.21Å; L702-A705 PolarHBondContact O-N 3.46Å; L702-L706 HydrophobicContact CD1-CD1 3.82Å; L702-L706 HydrophobicContact CD1-CD2 4.48Å; L702-L706 HydrophobicContact CD1-CG 3.98Å; L702-L706 HydrophobicContact CG-CD1 3.89Å; L702-L706 HydrophobicContact CG-CG 4.47Å; L702-L706 VanDerWaalsContact O-CG 3.26Å; L702-L706 WeakPolarHBondContact O-CG 3.46Å; L702-L706 PolarHBondContact O-N 3.41Å; L702-F718 HydrophobicContact CD1-CE2 4.08Å; L702-F718 HydrophobicContact CD1-CZ 3.98Å; L702-V723 HydrophobicContact CB-CG1 4.26Å; L702-V723 HydrophobicContact CD1-CG2 4.03Å
703	R	97.9	Very high	94	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.1	-49.6	179	-72.7	167.1	54	127.9	13.3	111.8	T120 D123 L217 A699 A705 L706 L707 P885 I886 P888	T120-R703 HydrophobicContact CG2-CB 3.69Å; T120-R703 HydrophobicContact CG2-CG 3.94Å; D123-R703 IonicContact OD2-CZ 2.69Å; D123-R703 IonicContact OD2-NH1 3.36Å; D123-R703 PolarHBondContact OD2-NH1 3.01Å; D123-R703 IonicContact OD2-NH2 3.13Å; D123-R703 PolarHBondContact OD2-NH2 3.13Å; L217-R703 HydrophobicContact CD2-CG 4.48Å; L217-R703 WeakPolarHBondContact O-CD 3.42Å; L217-R703 PolarHBondContact O-NH1 3.04Å; L217-R703 VanDerWaalsContact O-NH1 3.14Å; A699-R703 WeakPolarHBondContact O-CB 3.28Å; A699-R703 WeakPolarHBondContact O-CG 3.43Å; A699-R703 PolarHBondContact O-N 3.47Å; R703-A705 VanDerWaalsContact C-N 3.29Å; R703-A705 PolarHBondContact O-N 3.31Å; R703-L706 PolarHBondContact O-N 3.38Å; R703-L707 PolarHBondContact O-N 2.86Å; R703-L707 VanDerWaalsContact O-N 3.15Å; R703-P885 PolarHBondContact NH2-O 2.83Å; R703-I886 WeakPolarHBondContact CB-O 3.41Å; R703-I886 PolarHBondContact NE-O 3.1Å; R703-P888 VanDerWaalsContact CZ-CD 3.47Å
704	A	97.7	Very high	94.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.9	-41.2	177.6	0	0	0	0	0	111.9	D700 L702 L707 T708 M726 I886 M887	D700-A704 VanDerWaalsContact O-CB 3.3Å; D700-A704 WeakPolarHBondContact O-CB 3.37Å; D700-A704 PolarHBondContact O-N 3.45Å; L702-A704 PolarHBondContact O-N 3.21Å; A704-L707 PolarHBondContact O-N 2.9Å; A704-T708 WeakPolarHBondContact O-CG2 3.4Å; A704-T708 PolarHBondContact O-N 2.78Å; A704-M726 HydrophobicContact CB-CB 4.26Å; A704-M726 HydrophobicContact CB-CG 3.98Å; A704-M726 HydrophobicContact CB-SD 4.05Å; A704-I886 HydrophobicContact CB-CD1 4.48Å; A704-M887 HydrophobicContact CB-CE 3.27Å; A704-M887 HydrophobicContact CB-CG 4.34Å
705	A	97.4	Very high	94.1	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.008	15%	0.154	C	C	.	.	H	α-helix	trans	-64.9	-42.6	178.5	0	0	0	0	0	111.7	A701 L702 R703 L707 T708 T722 V723 M726	A701-A705 VanDerWaalsContact O-CB 3.3Å; A701-A705 WeakPolarHBondContact O-CB 3.48Å; A701-A705 PolarHBondContact O-N 3.08Å; L702-A705 PolarHBondContact O-N 3.46Å; R703-A705 VanDerWaalsContact C-N 3.29Å; R703-A705 PolarHBondContact O-N 3.31Å; A705-L707 VanDerWaalsContact C-N 3.28Å; A705-L707 PolarHBondContact O-N 2.86Å; A705-T708 WeakPolarHBondContact O-CB 3.16Å; A705-T708 PolarHBondContact O-N 3.04Å; A705-T708 VanDerWaalsContact O-N 3.09Å; A705-T708 PolarHBondContact O-OG1 2.91Å; A705-T722 HydrophobicContact CB-CG2 3.89Å; A705-V723 HydrophobicContact CB-CB 4.26Å; A705-V723 HydrophobicContact CB-CG2 3.77Å; A705-M726 HydrophobicContact CB-CB 4.49Å; A705-M726 HydrophobicContact CB-CG 3.8Å
706	L	96.9	Very high	94.3	Very high	2 Å²	2	22 Å²	22	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-60.7	-37.6	177.9	-71.3	168.1	0	0	0	112.3	V113 A116 L117 L702 R703 T708 H709 F718	V113-L706 HydrophobicContact CG2-CD1 4.46Å; V113-L706 HydrophobicContact CG2-CD2 3.67Å; A116-L706 HydrophobicContact CB-CD1 3.95Å; L117-L706 HydrophobicContact CB-CD2 4.26Å; L117-L706 HydrophobicContact CD1-CB 3.9Å; L117-L706 HydrophobicContact CD1-CD2 4.42Å; L702-L706 HydrophobicContact CD1-CD1 3.82Å; L702-L706 HydrophobicContact CD1-CD2 4.48Å; L702-L706 HydrophobicContact CD1-CG 3.98Å; L702-L706 HydrophobicContact CG-CD1 3.89Å; L702-L706 HydrophobicContact CG-CG 4.47Å; L702-L706 VanDerWaalsContact O-CG 3.26Å; L702-L706 WeakPolarHBondContact O-CG 3.46Å; L702-L706 PolarHBondContact O-N 3.41Å; R703-L706 PolarHBondContact O-N 3.38Å; L706-T708 VanDerWaalsContact C-N 3.27Å; L706-T708 PolarHBondContact O-N 2.83Å; L706-H709 PolarHBondContact O-CD2 2.76Å; L706-H709 PolarHBondContact O-N 3.07Å; L706-F718 HydrophobicContact CD2-CD2 3.79Å; L706-F718 HydrophobicContact CD2-CE2 3.73Å; L706-F718 HydrophobicContact CG-CE2 4.46Å
707	L	96.4	Very high	94.1	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	0.5	178.1	-65.4	176.9	0	0	0	114.3	T120 I121 A124 R703 A704 A705 H709 F833 H834 V837 I886	T120-L707 HydrophobicContact CG2-CD1 3.72Å; T120-L707 HydrophobicContact CG2-CD2 4.12Å; T120-L707 HydrophobicContact CG2-CG 3.65Å; I121-L707 HydrophobicContact CG1-CD2 3.73Å; A124-L707 HydrophobicContact CB-CD1 4.03Å; R703-L707 PolarHBondContact O-N 2.86Å; R703-L707 VanDerWaalsContact O-N 3.15Å; A704-L707 PolarHBondContact O-N 2.9Å; A705-L707 VanDerWaalsContact C-N 3.28Å; A705-L707 PolarHBondContact O-N 2.86Å; L707-H709 VanDerWaalsContact C-N 3.25Å; L707-F833 HydrophobicContact CB-CB 4.4Å; L707-F833 HydrophobicContact CD2-CB 4.08Å; L707-F833 HydrophobicContact CD2-CG 4.19Å; L707-F833 CarbonylContact O-C 3.53Å; L707-H834 WeakPolarHBondContact O-CA 3.21Å; L707-H834 PolarHBondContact O-N 2.91Å; L707-V837 HydrophobicContact CB-CG2 3.79Å; L707-I886 HydrophobicContact CD1-CB 4.24Å; L707-I886 HydrophobicContact CD1-CG2 3.33Å
708	T	95.2	Very high	94	Very high	39 Å²	39	25.3 Å²	25.3	24%	0.239	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-14.6	169	65.9	0	0	0	0	113.2	A704 A705 L706 T722 M726 H834 V837	A704-T708 WeakPolarHBondContact O-CG2 3.4Å; A704-T708 PolarHBondContact O-N 2.78Å; A705-T708 WeakPolarHBondContact O-CB 3.16Å; A705-T708 PolarHBondContact O-N 3.04Å; A705-T708 VanDerWaalsContact O-N 3.09Å; A705-T708 PolarHBondContact O-OG1 2.91Å; L706-T708 VanDerWaalsContact C-N 3.27Å; L706-T708 PolarHBondContact O-N 2.83Å; T708-T722 HydrophobicContact CG2-CG2 4.39Å; T708-M726 HydrophobicContact CG2-CE 3.63Å; T708-M726 HydrophobicContact CG2-SD 4.49Å; T708-H834 WeakPolarHBondContact O-CB 3.49Å; T708-V837 HydrophobicContact CG2-CG1 3.88Å
709	H	92.1	Very high	93.8	Very high	27 Å²	27	28.1 Å²	28.1	13%	0.125	15%	0.151	C	C	.	.	S	Bend	trans	-84	144.6	-179.6	-62.5	-73.2	0	0	0	112	L706 L707 L711 I716 N717	L706-H709 PolarHBondContact O-CD2 2.76Å; L706-H709 PolarHBondContact O-N 3.07Å; L707-H709 VanDerWaalsContact C-N 3.25Å; H709-L711 PolarHBondContact O-N 3.2Å; H709-I716 HydrophobicContact CB-CD1 4.43Å; H709-I716 HydrophobicContact CB-CG1 4.41Å; H709-I716 HydrophobicContact CB-CG2 3.73Å; H709-I716 VanDerWaalsContact CG-CG2 3.45Å; H709-N717 PolarHBondContact CE1-O 3.03Å; H709-N717 VanDerWaalsContact CE1-O 3.23Å
710	Q	90.6	Very high	93.6	Very high	72 Å²	72	29 Å²	29	34%	0.336	16%	0.155	S	C	.	.			trans	-80.2	116.5	177	177	176	11.9	0	0	110.2	S712 Q713	Q710-S712 VanDerWaalsContact CG-OG 3.27Å; Q710-S712 WeakPolarHBondContact CG-OG 3.28Å; Q710-S712 PolarHBondContact NE2-OG 2.89Å; Q710-S712 PolarHBondContact O-N 3.41Å; Q710-Q713 HydrophobicContact CB-CG 3.99Å; Q710-Q713 HydrophobicContact CG-CG 4.11Å; Q710-Q713 WeakPolarHBondContact O-CB 3.49Å; Q710-Q713 PolarHBondContact O-N 3.48Å
711	L	87.5	Confident	93.5	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-29.8	-176.7	-58.8	-171.6	0	0	0	113.4	I121 I652 H654 G655 H709 Q713 F833	I121-L711 HydrophobicContact CD1-CD1 4.1Å; I121-L711 HydrophobicContact CD1-CD2 3.53Å; I121-L711 HydrophobicContact CD1-CG 4.49Å; I121-L711 HydrophobicContact CG1-CD2 4.25Å; I121-L711 HydrophobicContact CG2-CD1 4.31Å; I652-L711 HydrophobicContact CG2-CD1 4.18Å; H654-L711 HydrophobicContact CB-CB 4.46Å; H654-L711 HydrophobicContact CB-CD2 3.93Å; G655-L711 PolarHBondContact N-O 2.92Å; H709-L711 PolarHBondContact O-N 3.2Å; L711-Q713 PolarHBondContact O-N 2.92Å; L711-F833 HydrophobicContact CD1-CD2 3.62Å; L711-F833 HydrophobicContact CD1-CE2 3.89Å; L711-F833 HydrophobicContact CG-CD2 4.38Å
712	S	86.2	Confident	93.3	Very high	50 Å²	50	33.1 Å²	33.1	35%	0.35	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-7.4	-179	67.1	0	0	0	0	114.7	P505 Q710	P505-S712 VanDerWaalsContact CG-CA 3.49Å; P505-S712 VanDerWaalsContact CG-CB 3.47Å; Q710-S712 VanDerWaalsContact CG-OG 3.27Å; Q710-S712 WeakPolarHBondContact CG-OG 3.28Å; Q710-S712 PolarHBondContact NE2-OG 2.89Å; Q710-S712 PolarHBondContact O-N 3.41Å
713	Q	89.6	Confident	93.3	Very high	88 Å²	88	33.1 Å²	33.1	41%	0.411	18%	0.178	S	C	.	.	S	Bend	trans	-72.3	145	173.7	-67.3	-178.9	-11.2	0	0	110.1	G655 Q710 L711 H715	G655-Q713 WeakPolarHBondContact CA-O 3.39Å; G655-Q713 PolarHBondContact N-O 3.19Å; Q710-Q713 HydrophobicContact CB-CG 3.99Å; Q710-Q713 HydrophobicContact CG-CG 4.11Å; Q710-Q713 WeakPolarHBondContact O-CB 3.49Å; Q710-Q713 PolarHBondContact O-N 3.48Å; L711-Q713 PolarHBondContact O-N 2.92Å; Q713-H715 VanDerWaalsContact C-N 3.28Å; Q713-H715 PolarHBondContact O-N 3.47Å
714	S	87.5	Confident	93.3	Very high	62 Å²	62	33.2 Å²	33.2	43%	0.434	18%	0.179	S	C	.	.	S	Bend	trans	-71	-25.6	177	54.6	0	0	0	0	113.1	Q625 G655 L656	Q625-S714 VanDerWaalsContact NE2-CA 3.27Å; Q625-S714 PolarHBondContact NE2-O 2.75Å; G655-S714 CarbonylContact C-O 3.59Å; G655-S714 WeakPolarHBondContact CA-O 3.23Å; L656-S714 PolarHBondContact N-O 2.89Å
715	H	91.5	Very high	93.2	Very high	96 Å²	96	38.9 Å²	38.9	44%	0.444	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	138.8	179.7	-61	-71.3	0	0	0	110.2	L656 Q713	L656-H715 WeakPolarHBondContact O-CA 3.27Å; Q713-H715 VanDerWaalsContact C-N 3.28Å; Q713-H715 PolarHBondContact O-N 3.47Å
716	I	92.3	Very high	93.2	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	107.1	175.8	-64.5	172.8	0	0	0	107.8	L117 H654 L656 V657 C658 H709 F718	L117-I716 HydrophobicContact CD2-CD1 3.67Å; H654-I716 HydrophobicContact CB-CD1 4.32Å; L656-I716 PolarHBondContact O-N 3.3Å; V657-I716 WeakPolarHBondContact CA-O 3.47Å; C658-I716 PolarHBondContact N-O 3.06Å; H709-I716 HydrophobicContact CB-CD1 4.43Å; H709-I716 HydrophobicContact CB-CG1 4.41Å; H709-I716 HydrophobicContact CB-CG2 3.73Å; H709-I716 VanDerWaalsContact CG-CG2 3.45Å; I716-F718 PolarHBondContact O-N 3.22Å
717	N	92.3	Very high	93.2	Very high	82 Å²	82	39.8 Å²	39.8	44%	0.439	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	106.9	176.7	-65.3	-13.6	0	0	0	109.3	G662 H709	G662-N717 WeakPolarHBondContact CA-OD1 3.15Å; H709-N717 PolarHBondContact CE1-O 3.03Å; H709-N717 VanDerWaalsContact CE1-O 3.23Å
718	F	93.5	Very high	93.2	Very high	8 Å²	8	44.8 Å²	44.8	4%	0.035	23%	0.23	C	C	.	.			trans	-78.9	126.2	180	179.7	-104	0	0	0	111	V113 V657 C658 S660 V673 I678 L702 L706 I716 E720 V723	V113-F718 HydrophobicContact CG1-CD1 4.04Å; V113-F718 HydrophobicContact CG1-CE1 4.46Å; V113-F718 HydrophobicContact CG1-CG 4.15Å; V113-F718 HydrophobicContact CG2-CD1 4.23Å; V113-F718 HydrophobicContact CG2-CD2 3.92Å; V113-F718 HydrophobicContact CG2-CE1 4.03Å; V113-F718 HydrophobicContact CG2-CE2 3.71Å; V113-F718 HydrophobicContact CG2-CG 4.18Å; V113-F718 HydrophobicContact CG2-CZ 3.77Å; V657-F718 HydrophobicContact CG1-CB 4.17Å; C658-F718 PolarHBondContact O-N 3.25Å; S660-F718 PolarHBondContact N-O 2.88Å; V673-F718 HydrophobicContact CG1-CE1 4.33Å; I678-F718 HydrophobicContact CD1-CE1 3.82Å; I678-F718 HydrophobicContact CD1-CZ 3.72Å; L702-F718 HydrophobicContact CD1-CE2 4.08Å; L702-F718 HydrophobicContact CD1-CZ 3.98Å; L706-F718 HydrophobicContact CD2-CD2 3.79Å; L706-F718 HydrophobicContact CD2-CE2 3.73Å; L706-F718 HydrophobicContact CG-CE2 4.46Å; I716-F718 PolarHBondContact O-N 3.22Å; F718-E720 HydrophobicContact CE1-CG 3.89Å; F718-V723 HydrophobicContact CE2-CG2 4.06Å; F718-V723 HydrophobicContact CZ-CG2 3.8Å
719	D	92.3	Very high	93.4	Very high	58 Å²	58	43.3 Å²	43.3	31%	0.31	22%	0.221	S	C	.	.			trans	-121	125.6	173.9	-172.7	1.8	0	0	0	110.8	N721 T722	D719-N721 PolarHBondContact O-N 2.98Å; D719-N721 PolarHBondContact OD1-N 2.8Å; D719-N721 PolarHBondContact OD1-ND2 3.15Å; D719-N721 PolarHBondContact OD2-ND2 3.01Å; D719-T722 WeakPolarHBondContact O-CB 3.37Å; D719-T722 PolarHBondContact O-N 2.78Å
720	E	94.7	Very high	93.7	Very high	18 Å²	18	42 Å²	42	8%	0.084	22%	0.215	C	C	.	.	H	α-helix	trans	-64.8	-22.8	175.6	-64.9	-178.2	-172.6	0	0	112.1	I678 G683 N684 L685 F718 T722 V723 L724	I678-E720 HydrophobicContact CD1-CG 4.27Å; G683-E720 WeakPolarHBondContact CA-OE2 3.35Å; N684-E720 WeakPolarHBondContact CA-OE2 3.29Å; N684-E720 PolarHBondContact N-OE1 3.3Å; N684-E720 PolarHBondContact N-OE2 3.07Å; N684-E720 PolarHBondContact ND2-OE1 2.94Å; L685-E720 HydrophobicContact CD1-CB 4.24Å; L685-E720 HydrophobicContact CD2-CB 3.71Å; L685-E720 HydrophobicContact CG-CB 3.82Å; L685-E720 PolarHBondContact N-OE2 2.92Å; F718-E720 HydrophobicContact CE1-CG 3.89Å; E720-T722 VanDerWaalsContact C-N 3.31Å; E720-T722 PolarHBondContact O-N 2.92Å; E720-V723 WeakPolarHBondContact O-CB 3.39Å; E720-V723 PolarHBondContact O-N 2.87Å; E720-V723 VanDerWaalsContact O-N 3.15Å; E720-L724 PolarHBondContact O-N 3.23Å; E720-L724 VanDerWaalsContact O-N 3.14Å
721	N	95.2	Very high	94	Very high	58 Å²	58	40.7 Å²	40.7	31%	0.31	21%	0.21	S	C	.	.	H	α-helix	trans	-62.9	-37.3	174.9	-67.6	-66.3	0	0	0	112.1	D719 V723 L724 E725	D719-N721 PolarHBondContact O-N 2.98Å; D719-N721 PolarHBondContact OD1-N 2.8Å; D719-N721 PolarHBondContact OD1-ND2 3.15Å; D719-N721 PolarHBondContact OD2-ND2 3.01Å; N721-V723 PolarHBondContact O-N 2.82Å; N721-L724 WeakPolarHBondContact O-CB 3.37Å; N721-L724 PolarHBondContact O-N 3.4Å; N721-L724 VanDerWaalsContact O-N 3.07Å; N721-E725 WeakPolarHBondContact O-CG 3.39Å; N721-E725 PolarHBondContact O-N 3.4Å
722	T	95.2	Very high	94.4	Very high	29 Å²	29	44.6 Å²	44.6	18%	0.178	23%	0.227	C	C	.	.	H	α-helix	trans	-59.9	-37.1	175.2	-51	0	0	0	0	110.8	A705 T708 D719 E720 E725 M726	A705-T722 HydrophobicContact CB-CG2 3.89Å; T708-T722 HydrophobicContact CG2-CG2 4.39Å; D719-T722 WeakPolarHBondContact O-CB 3.37Å; D719-T722 PolarHBondContact O-N 2.78Å; E720-T722 VanDerWaalsContact C-N 3.31Å; E720-T722 PolarHBondContact O-N 2.92Å; T722-E725 PolarHBondContact O-N 3.49Å; T722-M726 HydrophobicContact CG2-CE 4.42Å; T722-M726 WeakPolarHBondContact O-CG 3.22Å; T722-M726 PolarHBondContact O-N 2.91Å
723	V	97.4	Very high	95	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.9	-42.1	174.8	-170.9	0	0	0	0	111.4	I678 L697 A701 L702 A705 F718 E720 N721 E725 M726 R727	I678-V723 HydrophobicContact CG2-CB 4.48Å; I678-V723 HydrophobicContact CG2-CG1 3.72Å; I678-V723 HydrophobicContact CG2-CG2 4.48Å; L697-V723 HydrophobicContact CB-CG1 4.01Å; L697-V723 HydrophobicContact CD1-CB 4.28Å; L697-V723 HydrophobicContact CD1-CG1 3.93Å; A701-V723 HydrophobicContact CB-CG1 4.16Å; L702-V723 HydrophobicContact CB-CG1 4.26Å; L702-V723 HydrophobicContact CD1-CG2 4.03Å; A705-V723 HydrophobicContact CB-CB 4.26Å; A705-V723 HydrophobicContact CB-CG2 3.77Å; F718-V723 HydrophobicContact CE2-CG2 4.06Å; F718-V723 HydrophobicContact CZ-CG2 3.8Å; E720-V723 WeakPolarHBondContact O-CB 3.39Å; E720-V723 PolarHBondContact O-N 2.87Å; E720-V723 VanDerWaalsContact O-N 3.15Å; N721-V723 PolarHBondContact O-N 2.82Å; V723-E725 VanDerWaalsContact C-N 3.31Å; V723-E725 PolarHBondContact O-N 3.3Å; V723-M726 PolarHBondContact O-N 2.95Å; V723-R727 WeakPolarHBondContact O-CB 3.21Å; V723-R727 PolarHBondContact O-N 3.33Å
724	L	97.4	Very high	95.4	Very high	3 Å²	3	38 Å²	38	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-38.7	175.2	177.4	63.5	0	0	0	112.1	L685 T689 V690 I694 L697 E720 N721 R727 K728	L685-L724 HydrophobicContact CD1-CB 3.92Å; L685-L724 HydrophobicContact CD1-CD2 4.36Å; T689-L724 HydrophobicContact CG2-CD2 4.06Å; V690-L724 HydrophobicContact CG1-CD1 4.23Å; V690-L724 HydrophobicContact CG2-CD1 4.44Å; V690-L724 HydrophobicContact CG2-CD2 4.18Å; I694-L724 HydrophobicContact CD1-CD1 3.89Å; L697-L724 HydrophobicContact CD2-CB 4.33Å; L697-L724 HydrophobicContact CD2-CD1 3.86Å; E720-L724 PolarHBondContact O-N 3.23Å; E720-L724 VanDerWaalsContact O-N 3.14Å; N721-L724 WeakPolarHBondContact O-CB 3.37Å; N721-L724 PolarHBondContact O-N 3.4Å; N721-L724 VanDerWaalsContact O-N 3.07Å; L724-R727 PolarHBondContact O-N 2.79Å; L724-K728 WeakPolarHBondContact O-CG 3.49Å; L724-K728 PolarHBondContact O-N 3.38Å
725	E	96.6	Very high	95.8	Very high	119 Å²	119	38.4 Å²	38.4	56%	0.556	19%	0.185	S	C	*	.	H	α-helix	trans	-63.5	-46.2	174.5	-70.7	180	174.5	0	0	111.6	N721 T722 V723 R727 K728 F729	N721-E725 WeakPolarHBondContact O-CG 3.39Å; N721-E725 PolarHBondContact O-N 3.4Å; T722-E725 PolarHBondContact O-N 3.49Å; V723-E725 VanDerWaalsContact C-N 3.31Å; V723-E725 PolarHBondContact O-N 3.3Å; E725-R727 VanDerWaalsContact C-N 3.29Å; E725-R727 PolarHBondContact O-N 3.02Å; E725-K728 WeakPolarHBondContact O-CB 3.4Å; E725-K728 PolarHBondContact O-N 2.89Å; E725-K728 VanDerWaalsContact O-N 3.15Å; E725-F729 PolarHBondContact O-N 3.49Å
726	M	97.4	Very high	95.9	Very high	5 Å²	5	34 Å²	34	3%	0.025	17%	0.165	C	C	.	.	H	α-helix	trans	-61.5	-38	174.1	-66	-56.1	136	0	0	112	A701 A704 A705 T708 T722 V723 K728 F729 C730 Q841	A701-M726 HydrophobicContact CB-CB 4.13Å; A701-M726 WeakPolarHBondContact O-CB 3.37Å; A704-M726 HydrophobicContact CB-CB 4.26Å; A704-M726 HydrophobicContact CB-CG 3.98Å; A704-M726 HydrophobicContact CB-SD 4.05Å; A705-M726 HydrophobicContact CB-CB 4.49Å; A705-M726 HydrophobicContact CB-CG 3.8Å; T708-M726 HydrophobicContact CG2-CE 3.63Å; T708-M726 HydrophobicContact CG2-SD 4.49Å; T722-M726 HydrophobicContact CG2-CE 4.42Å; T722-M726 WeakPolarHBondContact O-CG 3.22Å; T722-M726 PolarHBondContact O-N 2.91Å; V723-M726 PolarHBondContact O-N 2.95Å; M726-K728 VanDerWaalsContact C-N 3.33Å; M726-K728 PolarHBondContact O-N 3.32Å; M726-F729 CarbonylContact O-C 3.59Å; M726-F729 WeakPolarHBondContact O-CA 3.28Å; M726-F729 WeakPolarHBondContact O-CB 3.11Å; M726-F729 PolarHBondContact O-N 3.49Å; M726-F729 VanDerWaalsContact O-N 3.12Å; M726-C730 PolarHBondContact O-N 3.46Å; M726-C730 PolarHBondContact O-SG 3.38Å; M726-Q841 PolarHBondContact SD-NE2 3.37Å
727	R	97.4	Very high	96.1	Very high	16 Å²	16	34 Å²	34	6%	0.06	17%	0.165	C	C	.	.	H	α-helix	trans	-63.5	-38.1	175.2	174	52.4	-179.2	87.4	-1.6	112.5	Y62 I694 L697 A701 V723 L724 E725 F729 N731	Y62-R727 VanDerWaalsContact CD1-NH1 3.29Å; Y62-R727 PolarHBondContact O-NH2 2.93Å; I694-R727 HydrophobicContact CG2-CG 4.34Å; L697-R727 HydrophobicContact CD2-CB 4.07Å; L697-R727 HydrophobicContact CD2-CG 4.13Å; L697-R727 VanDerWaalsContact O-CD 3.3Å; L697-R727 WeakPolarHBondContact O-CD 3.21Å; A701-R727 HydrophobicContact CB-CB 3.84Å; V723-R727 WeakPolarHBondContact O-CB 3.21Å; V723-R727 PolarHBondContact O-N 3.33Å; L724-R727 PolarHBondContact O-N 2.79Å; E725-R727 VanDerWaalsContact C-N 3.29Å; E725-R727 PolarHBondContact O-N 3.02Å; R727-F729 VanDerWaalsContact C-N 3.34Å; R727-N731 PolarHBondContact O-N 3.45Å
728	K	96.6	Very high	96.1	Very high	106 Å²	106	31.7 Å²	31.7	46%	0.461	15%	0.15	S	C	.	.	H	α-helix	trans	-67.2	-38.9	172.8	-70.4	168.5	-177.6	170	0	110.7	I694 L724 E725 M726 N731 K732	I694-K728 HydrophobicContact CD1-CG 4.48Å; L724-K728 WeakPolarHBondContact O-CG 3.49Å; L724-K728 PolarHBondContact O-N 3.38Å; E725-K728 WeakPolarHBondContact O-CB 3.4Å; E725-K728 PolarHBondContact O-N 2.89Å; E725-K728 VanDerWaalsContact O-N 3.15Å; M726-K728 VanDerWaalsContact C-N 3.33Å; M726-K728 PolarHBondContact O-N 3.32Å; K728-N731 WeakPolarHBondContact O-CB 3.41Å; K728-N731 PolarHBondContact O-N 2.91Å; K728-K732 PolarHBondContact O-N 2.92Å
729	F	97.8	Very high	96	Very high	9 Å²	9	33.3 Å²	33.3	4%	0.039	16%	0.158	C	C	.	.	H	α-helix	trans	-62.6	-44.4	174.7	178	-95.8	0	0	0	112.4	E725 M726 R727 N731 K732 M733 Q841 W844 L845 F883 M887	E725-F729 PolarHBondContact O-N 3.49Å; M726-F729 CarbonylContact O-C 3.59Å; M726-F729 WeakPolarHBondContact O-CA 3.28Å; M726-F729 WeakPolarHBondContact O-CB 3.11Å; M726-F729 PolarHBondContact O-N 3.49Å; M726-F729 VanDerWaalsContact O-N 3.12Å; R727-F729 VanDerWaalsContact C-N 3.34Å; F729-N731 VanDerWaalsContact C-N 3.26Å; F729-N731 PolarHBondContact O-N 3.19Å; F729-K732 WeakPolarHBondContact O-CA 3.22Å; F729-K732 VanDerWaalsContact O-CB 3.29Å; F729-K732 WeakPolarHBondContact O-CB 3.34Å; F729-K732 PolarHBondContact O-N 3.01Å; F729-M733 HydrophobicContact CD1-CG 4.39Å; F729-M733 HydrophobicContact CD1-SD 4.15Å; F729-M733 HydrophobicContact CE1-CG 3.83Å; F729-M733 HydrophobicContact CE1-SD 3.45Å; F729-M733 WeakPolarHBondContact CE1-SD 3.33Å; F729-M733 HydrophobicContact CZ-CG 3.98Å; F729-M733 HydrophobicContact CZ-SD 4.05Å; F729-M733 PolarHBondContact O-N 2.94Å; F729-Q841 HydrophobicContact CD2-CG 4.34Å; F729-Q841 HydrophobicContact CE1-CG 4.4Å; F729-Q841 HydrophobicContact CE2-CB 4.28Å; F729-Q841 HydrophobicContact CE2-CG 4.13Å; F729-Q841 HydrophobicContact CZ-CG 4.17Å; F729-W844 HydrophobicContact CE2-CB 4.01Å; F729-W844 HydrophobicContact CE2-CG 4.19Å; F729-W844 HydrophobicContact CZ-CB 3.94Å; F729-W844 HydrophobicContact CZ-CG 4.06Å; F729-L845 HydrophobicContact CD2-CD1 4.05Å; F729-L845 HydrophobicContact CD2-CD2 3.91Å; F729-L845 HydrophobicContact CD2-CG 3.98Å; F729-L845 HydrophobicContact CE2-CD1 4.31Å; F729-L845 HydrophobicContact CE2-CD2 3.96Å; F729-L845 HydrophobicContact CE2-CG 3.84Å; F729-F883 HydrophobicContact CE1-CD1 4.26Å; F729-F883 AromaticContact CE1-CE1 3.37Å; F729-F883 HydrophobicContact CE1-CE1 3.37Å; F729-F883 AromaticContact CE1-CZ 3.8Å; F729-F883 HydrophobicContact CE1-CZ 3.8Å; F729-F883 AromaticContact CZ-CE1 3.63Å; F729-F883 HydrophobicContact CZ-CE1 3.63Å; F729-F883 AromaticContact CZ-CZ 3.52Å; F729-F883 HydrophobicContact CZ-CZ 3.52Å; F729-M887 HydrophobicContact CD1-CE 3.86Å; F729-M887 HydrophobicContact CE1-CE 4.01Å
730	C	98.1	Very high	95.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-55.3	-41.5	172.3	-66	0	0	0	0	112	Y62 M726 K732 M733 W734 L890	Y62-C730 HydrophobicContact CD1-CB 3.43Å; Y62-C730 VanDerWaalsContact CD1-CB 3.43Å; Y62-C730 HydrophobicContact CE1-CB 3.29Å; Y62-C730 HydrophobicContact CG-CB 4.35Å; M726-C730 PolarHBondContact O-N 3.46Å; M726-C730 PolarHBondContact O-SG 3.38Å; C730-K732 VanDerWaalsContact C-N 3.32Å; C730-K732 PolarHBondContact O-N 3.37Å; C730-M733 PolarHBondContact O-N 2.86Å; C730-W734 PolarHBondContact O-N 3.08Å; C730-L890 HydrophobicContact CB-CD2 3.71Å
731	N	97.2	Very high	95.5	Very high	44 Å²	44	29.8 Å²	29.8	24%	0.235	14%	0.139	C	C	.	.	H	α-helix	trans	-65.6	-35.3	174	-173.4	67.1	0	0	0	112.3	Y62 R727 K728 F729 W734 Q735	Y62-N731 PolarHBondContact N-OD1 3.42Å; Y62-N731 VanDerWaalsContact N-OD1 3.12Å; R727-N731 PolarHBondContact O-N 3.45Å; K728-N731 WeakPolarHBondContact O-CB 3.41Å; K728-N731 PolarHBondContact O-N 2.91Å; F729-N731 VanDerWaalsContact C-N 3.26Å; F729-N731 PolarHBondContact O-N 3.19Å; N731-W734 WeakPolarHBondContact O-CB 3.24Å; N731-W734 PolarHBondContact O-N 3.35Å; N731-Q735 WeakPolarHBondContact O-CG 3.36Å; N731-Q735 PolarHBondContact O-N 3.37Å
732	K	96.8	Very high	95.2	Very high	85 Å²	85	30.3 Å²	30.3	37%	0.37	14%	0.142	S	C	.	.	H	α-helix	trans	-64.2	-41.8	174.4	-177.7	62.2	175.4	-175.1	0	111.3	K728 F729 C730 W734 Q735 T736 L845 C849	K728-K732 PolarHBondContact O-N 2.92Å; F729-K732 WeakPolarHBondContact O-CA 3.22Å; F729-K732 VanDerWaalsContact O-CB 3.29Å; F729-K732 WeakPolarHBondContact O-CB 3.34Å; F729-K732 PolarHBondContact O-N 3.01Å; C730-K732 VanDerWaalsContact C-N 3.32Å; C730-K732 PolarHBondContact O-N 3.37Å; K732-W734 VanDerWaalsContact C-N 3.33Å; K732-W734 PolarHBondContact O-N 3.33Å; K732-Q735 PolarHBondContact O-N 3.06Å; K732-T736 WeakPolarHBondContact O-CB 3.49Å; K732-T736 PolarHBondContact O-N 3.44Å; K732-T736 PolarHBondContact O-OG1 3.03Å; K732-L845 HydrophobicContact CB-CD2 4.37Å; K732-L845 HydrophobicContact CG-CD2 3.62Å; K732-C849 VanDerWaalsContact CE-SG 3.55Å
733	M	97.9	Very high	94.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59	-46.1	172.7	-64.6	179.9	73.5	0	0	111.3	F729 C730 Q735 T736 A737 W844 F883 M887 L890 L894	F729-M733 HydrophobicContact CD1-CG 4.39Å; F729-M733 HydrophobicContact CD1-SD 4.15Å; F729-M733 HydrophobicContact CE1-CG 3.83Å; F729-M733 HydrophobicContact CE1-SD 3.45Å; F729-M733 WeakPolarHBondContact CE1-SD 3.33Å; F729-M733 HydrophobicContact CZ-CG 3.98Å; F729-M733 HydrophobicContact CZ-SD 4.05Å; F729-M733 PolarHBondContact O-N 2.94Å; C730-M733 PolarHBondContact O-N 2.86Å; M733-Q735 PolarHBondContact O-N 2.87Å; M733-T736 WeakPolarHBondContact O-CB 3.34Å; M733-T736 PolarHBondContact O-N 3.29Å; M733-T736 VanDerWaalsContact O-N 3.16Å; M733-A737 PolarHBondContact O-N 3.25Å; M733-W844 HydrophobicContact CB-CH2 4.32Å; M733-W844 HydrophobicContact CB-CZ2 3.74Å; M733-W844 HydrophobicContact CE-CE3 4.14Å; M733-W844 HydrophobicContact CE-CH2 3.74Å; M733-W844 HydrophobicContact CE-CZ2 4.25Å; M733-W844 HydrophobicContact CE-CZ3 3.72Å; M733-W844 HydrophobicContact CG-CD2 4.03Å; M733-W844 HydrophobicContact CG-CG 4.49Å; M733-W844 HydrophobicContact CG-CH2 4.25Å; M733-W844 HydrophobicContact CG-CZ2 3.77Å; M733-F883 HydrophobicContact CE-CB 4.08Å; M733-F883 HydrophobicContact CE-CD1 4.08Å; M733-F883 HydrophobicContact CE-CD2 4.08Å; M733-F883 HydrophobicContact CE-CE1 4.5Å; M733-F883 HydrophobicContact CE-CE2 4.47Å; M733-F883 HydrophobicContact CE-CG 3.82Å; M733-F883 HydrophobicContact SD-CD1 4.14Å; M733-F883 HydrophobicContact SD-CE1 4.24Å; M733-F883 HydrophobicContact SD-CG 4.49Å; M733-M887 HydrophobicContact SD-SD 3.87Å; M733-L890 HydrophobicContact CB-CD2 4.3Å; M733-L890 HydrophobicContact SD-CD2 3.96Å; M733-L894 HydrophobicContact CB-CD1 4.32Å
734	W	97.6	Very high	94	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-56.5	-50.4	176.3	-173.2	-90.2	0	0	0	113.2	I55 L56 E59 Y62 V67 C730 N731 K732 T736 A737 R738 L890 V893 L894	I55-W734 HydrophobicContact CB-CH2 4.33Å; I55-W734 HydrophobicContact CG2-CH2 3.87Å; I55-W734 HydrophobicContact CG2-CZ2 4.45Å; I55-W734 WeakPolarHBondContact O-CZ2 3.49Å; L56-W734 VanDerWaalsContact CA-CH2 3.44Å; L56-W734 VanDerWaalsContact CA-CZ2 3.44Å; L56-W734 HydrophobicContact CB-CH2 4.29Å; L56-W734 HydrophobicContact CD1-CD2 4Å; L56-W734 HydrophobicContact CD1-CE3 4.15Å; L56-W734 HydrophobicContact CD1-CH2 4.19Å; L56-W734 HydrophobicContact CD1-CZ2 4.05Å; L56-W734 HydrophobicContact CD1-CZ3 4.24Å; E59-W734 HydrophobicContact CB-CZ2 3.93Å; E59-W734 PolarHBondContact O-NE1 2.92Å; Y62-W734 HydrophobicContact CD2-CE3 4.16Å; V67-W734 HydrophobicContact CG2-CH2 4.05Å; V67-W734 HydrophobicContact CG2-CZ3 3.79Å; C730-W734 PolarHBondContact O-N 3.08Å; N731-W734 WeakPolarHBondContact O-CB 3.24Å; N731-W734 PolarHBondContact O-N 3.35Å; K732-W734 VanDerWaalsContact C-N 3.33Å; K732-W734 PolarHBondContact O-N 3.33Å; W734-T736 VanDerWaalsContact C-N 3.26Å; W734-T736 PolarHBondContact O-N 3Å; W734-A737 PolarHBondContact O-N 3.18Å; W734-R738 VanDerWaalsContact NE1-CD 3.33Å; W734-R738 WeakPolarHBondContact O-CG 3.44Å; W734-R738 PolarHBondContact O-N 2.97Å; W734-L890 HydrophobicContact CE3-CD1 3.84Å; W734-L890 HydrophobicContact CZ3-CD1 4.39Å; W734-V893 HydrophobicContact CH2-CG1 4.23Å; W734-V893 HydrophobicContact CZ3-CG1 4.01Å; W734-L894 HydrophobicContact CD2-CD2 4.4Å; W734-L894 HydrophobicContact CE3-CD2 3.65Å; W734-L894 HydrophobicContact CZ3-CD2 4.03Å
735	Q	95.9	Very high	93.1	Very high	70 Å²	70	37.3 Å²	37.3	33%	0.327	17%	0.17	S	C	.	.	H	α-helix	trans	-62.9	-36	177.9	-64.7	-48.5	-41	0	0	112.2	Y60 N731 K732 M733 F739	Y60-Q735 PolarHBondContact O-NE2 3.35Å; N731-Q735 WeakPolarHBondContact O-CG 3.36Å; N731-Q735 PolarHBondContact O-N 3.37Å; K732-Q735 PolarHBondContact O-N 3.06Å; M733-Q735 PolarHBondContact O-N 2.87Å; Q735-F739 VanDerWaalsContact O-CB 3.3Å; Q735-F739 WeakPolarHBondContact O-CB 3.47Å; Q735-F739 PolarHBondContact O-N 3.23Å
736	T	95.3	Very high	92.3	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.025	18%	0.175	C	C	.	.	H	α-helix	trans	-63.9	-49.1	177.2	-53.4	0	0	0	0	110.2	K732 M733 W734 R738 F739 V740 W844 L848 C849 L853 L876	K732-T736 WeakPolarHBondContact O-CB 3.49Å; K732-T736 PolarHBondContact O-N 3.44Å; K732-T736 PolarHBondContact O-OG1 3.03Å; M733-T736 WeakPolarHBondContact O-CB 3.34Å; M733-T736 PolarHBondContact O-N 3.29Å; M733-T736 VanDerWaalsContact O-N 3.16Å; W734-T736 VanDerWaalsContact C-N 3.26Å; W734-T736 PolarHBondContact O-N 3Å; T736-R738 PolarHBondContact O-N 2.92Å; T736-F739 PolarHBondContact O-N 2.66Å; T736-V740 WeakPolarHBondContact O-CG2 3.42Å; T736-V740 PolarHBondContact O-N 2.78Å; T736-W844 HydrophobicContact CG2-CZ2 3.98Å; T736-W844 PolarHBondContact OG1-NE1 2.99Å; T736-L848 HydrophobicContact CG2-CD2 4.37Å; T736-C849 PolarHBondContact OG1-SG 2.69Å; T736-L853 HydrophobicContact CG2-CD1 3.76Å; T736-L876 HydrophobicContact CG2-CD1 4.22Å
737	A	94.8	Very high	91	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.2	-42.7	178.2	0	0	0	0	0	112.7	L56 M733 W734 F739 V740 S741 L876 L894 L898	L56-A737 HydrophobicContact CD1-CB 4.25Å; L56-A737 HydrophobicContact CD2-CB 4.32Å; M733-A737 PolarHBondContact O-N 3.25Å; W734-A737 PolarHBondContact O-N 3.18Å; A737-F739 PolarHBondContact O-N 2.8Å; A737-V740 PolarHBondContact O-N 3.16Å; A737-S741 WeakPolarHBondContact O-CB 3.48Å; A737-S741 PolarHBondContact O-N 3.42Å; A737-L876 HydrophobicContact CB-CD2 4.22Å; A737-L894 HydrophobicContact CB-CD1 4.35Å; A737-L894 HydrophobicContact CB-CD2 3.78Å; A737-L898 HydrophobicContact CB-CD1 4.49Å
738	R	93.2	Very high	89.8	Confident	34 Å²	34	44 Å²	44	13%	0.128	20%	0.202	C	C	.	.	H	α-helix	trans	-59.5	-45.9	173.8	-75.8	-172.7	60.4	97.8	-1.6	111.9	L56 H57 E59 W734 T736 S741 I742	L56-R738 HydrophobicContact CD1-CG 3.55Å; L56-R738 HydrophobicContact CG-CG 4.21Å; L56-R738 WeakPolarHBondContact O-CD 3.46Å; L56-R738 WeakPolarHBondContact O-CG 3.41Å; L56-R738 PolarHBondContact O-NH1 3.34Å; H57-R738 VanDerWaalsContact C-NH1 3.33Å; H57-R738 PolarHBondContact O-NH1 3.13Å; E59-R738 PolarHBondContact O-NH1 3.44Å; W734-R738 VanDerWaalsContact NE1-CD 3.33Å; W734-R738 WeakPolarHBondContact O-CG 3.44Å; W734-R738 PolarHBondContact O-N 2.97Å; T736-R738 PolarHBondContact O-N 2.92Å; R738-S741 PolarHBondContact O-N 3.32Å; R738-I742 VanDerWaalsContact O-CG1 3.27Å; R738-I742 WeakPolarHBondContact O-CG1 3.47Å; R738-I742 PolarHBondContact O-N 3.28Å
739	F	91.3	Very high	88.4	Confident	42 Å²	42	39 Å²	39	18%	0.184	18%	0.181	C	C	.	.	H	α-helix	trans	-58.8	-51.2	178.3	174.6	-93.3	0	0	0	111.2	Q735 T736 A737 S741 I742 Q743 L853 K857	Q735-F739 VanDerWaalsContact O-CB 3.3Å; Q735-F739 WeakPolarHBondContact O-CB 3.47Å; Q735-F739 PolarHBondContact O-N 3.23Å; T736-F739 PolarHBondContact O-N 2.66Å; A737-F739 PolarHBondContact O-N 2.8Å; F739-S741 VanDerWaalsContact C-N 3.34Å; F739-S741 PolarHBondContact O-N 2.87Å; F739-I742 PolarHBondContact O-N 3.01Å; F739-Q743 HydrophobicContact CD1-CG 4.2Å; F739-Q743 HydrophobicContact CD2-CG 4.47Å; F739-Q743 HydrophobicContact CE1-CG 3.65Å; F739-Q743 HydrophobicContact CE2-CG 3.97Å; F739-Q743 HydrophobicContact CZ-CG 3.48Å; F739-Q743 VanDerWaalsContact CZ-CG 3.48Å; F739-Q743 VanDerWaalsContact CZ-NE2 3.33Å; F739-Q743 WeakPolarHBondContact O-CG 3.37Å; F739-Q743 PolarHBondContact O-N 3.04Å; F739-L853 HydrophobicContact CD1-CD1 3.92Å; F739-L853 HydrophobicContact CD1-CD2 4.11Å; F739-L853 HydrophobicContact CD1-CG 4.05Å; F739-L853 HydrophobicContact CE1-CD1 4.34Å; F739-L853 HydrophobicContact CE1-CD2 4Å; F739-L853 HydrophobicContact CE1-CG 3.96Å; F739-K857 HydrophobicContact CE1-CG 3.96Å; F739-K857 HydrophobicContact CE2-CD 4.21Å; F739-K857 VanDerWaalsContact CE2-CE 3.5Å; F739-K857 HydrophobicContact CE2-CG 3.75Å; F739-K857 HydrophobicContact CZ-CB 4.47Å; F739-K857 HydrophobicContact CZ-CD 4.03Å; F739-K857 HydrophobicContact CZ-CG 3.2Å
740	V	89.7	Confident	86.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.1	-45.8	178.7	173.4	0	0	0	0	110.9	T736 A737 I742 Q743 L744 L872 L876	T736-V740 WeakPolarHBondContact O-CG2 3.42Å; T736-V740 PolarHBondContact O-N 2.78Å; A737-V740 PolarHBondContact O-N 3.16Å; V740-I742 VanDerWaalsContact C-N 3.31Å; V740-I742 PolarHBondContact O-N 3.11Å; V740-Q743 PolarHBondContact O-N 3.25Å; V740-Q743 VanDerWaalsContact O-N 3.12Å; V740-L744 HydrophobicContact CG1-CD1 3.94Å; V740-L744 HydrophobicContact CG1-CG 4.24Å; V740-L744 WeakPolarHBondContact O-CG 3.45Å; V740-L744 PolarHBondContact O-N 2.94Å; V740-L872 HydrophobicContact CG2-CD1 4.44Å; V740-L872 HydrophobicContact CG2-CD2 3.73Å; V740-L872 HydrophobicContact CG2-CG 3.85Å; V740-L876 HydrophobicContact CB-CD2 3.8Å; V740-L876 HydrophobicContact CG1-CD2 3.88Å; V740-L876 HydrophobicContact CG2-CD2 3.99Å
741	S	88	Confident	85	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.014	21%	0.211	C	C	.	.	H	α-helix	trans	-59.5	-39.8	177.4	-175.6	0	0	0	0	113.3	H57 A737 R738 F739 K745 R901	H57-S741 PolarHBondContact CE1-OG 3.45Å; A737-S741 WeakPolarHBondContact O-CB 3.48Å; A737-S741 PolarHBondContact O-N 3.42Å; R738-S741 PolarHBondContact O-N 3.32Å; F739-S741 VanDerWaalsContact C-N 3.34Å; F739-S741 PolarHBondContact O-N 2.87Å; S741-K745 PolarHBondContact O-N 2.62Å; S741-R901 WeakPolarHBondContact OG-CD 3.34Å; S741-R901 PolarHBondContact OG-NH1 2.81Å
742	I	87.2	Confident	83.5	Confident	69 Å²	69	45 Å²	45	35%	0.354	21%	0.211	S	C	.	.	H	α-helix	trans	-66.4	-40.8	176	-69.1	164.8	0	0	0	110.9	R738 F739 V740 K745 K746	R738-I742 VanDerWaalsContact O-CG1 3.27Å; R738-I742 WeakPolarHBondContact O-CG1 3.47Å; R738-I742 PolarHBondContact O-N 3.28Å; F739-I742 PolarHBondContact O-N 3.01Å; V740-I742 VanDerWaalsContact C-N 3.31Å; V740-I742 PolarHBondContact O-N 3.11Å; I742-K745 PolarHBondContact O-N 3.08Å; I742-K746 HydrophobicContact CG2-CD 4.2Å; I742-K746 WeakPolarHBondContact O-CG 3.38Å; I742-K746 PolarHBondContact O-N 3.13Å; I742-K746 VanDerWaalsContact O-N 3.1Å
743	Q	84.7	Confident	81.9	Confident	34 Å²	34	41 Å²	41	16%	0.159	19%	0.194	C	C	.	.	H	α-helix	trans	-69.1	-42.2	-179.7	-66.4	-58	-14.2	0	0	112.6	F739 V740 K745 K746 Q747 L869	F739-Q743 HydrophobicContact CD1-CG 4.2Å; F739-Q743 HydrophobicContact CD2-CG 4.47Å; F739-Q743 HydrophobicContact CE1-CG 3.65Å; F739-Q743 HydrophobicContact CE2-CG 3.97Å; F739-Q743 HydrophobicContact CZ-CG 3.48Å; F739-Q743 VanDerWaalsContact CZ-CG 3.48Å; F739-Q743 VanDerWaalsContact CZ-NE2 3.33Å; F739-Q743 WeakPolarHBondContact O-CG 3.37Å; F739-Q743 PolarHBondContact O-N 3.04Å; V740-Q743 PolarHBondContact O-N 3.25Å; V740-Q743 VanDerWaalsContact O-N 3.12Å; Q743-K745 PolarHBondContact O-N 3.28Å; Q743-K746 PolarHBondContact O-N 3.02Å; Q743-Q747 PolarHBondContact O-N 2.89Å; Q743-L869 HydrophobicContact CB-CD1 3.88Å; Q743-L869 HydrophobicContact CB-CD2 3.97Å
744	L	82.6	Confident	80.1	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.016	21%	0.205	C	C	.	.	H	α-helix	trans	-55.5	-37.8	174.9	-71.3	170.9	0	0	0	111.4	V740 D748 V749 F750 V753 L869 Y873	V740-L744 HydrophobicContact CG1-CD1 3.94Å; V740-L744 HydrophobicContact CG1-CG 4.24Å; V740-L744 WeakPolarHBondContact O-CG 3.45Å; V740-L744 PolarHBondContact O-N 2.94Å; L744-D748 PolarHBondContact O-N 2.95Å; L744-V749 HydrophobicContact CD2-CB 4Å; L744-V749 HydrophobicContact CD2-CG1 3.94Å; L744-V749 PolarHBondContact O-N 3.47Å; L744-F750 VanDerWaalsContact C-CE2 3.49Å; L744-F750 HydrophobicContact CB-CD1 4.22Å; L744-F750 HydrophobicContact CB-CD2 4.49Å; L744-F750 HydrophobicContact CB-CE1 3.73Å; L744-F750 HydrophobicContact CB-CE2 4.09Å; L744-F750 HydrophobicContact CB-CZ 3.65Å; L744-F750 HydrophobicContact CD1-CE1 4.24Å; L744-F750 WeakPolarHBondContact O-CD2 3.49Å; L744-V753 HydrophobicContact CD2-CG2 4.44Å; L744-L869 HydrophobicContact CD2-CD2 4.16Å; L744-L869 HydrophobicContact CD2-CG 3.92Å; L744-Y873 HydrophobicContact CD1-CD2 3.72Å; L744-Y873 HydrophobicContact CD1-CE2 4.47Å; L744-Y873 HydrophobicContact CD1-CG 4.16Å
745	K	79.4	Confident	78.3	Confident	142 Å²	142	47 Å²	47	62%	0.617	23%	0.231	S	C	*	.	H	α-helix	trans	-69.4	-41.1	175.1	-167.7	173.3	179.3	172.8	0	113.8	S741 I742 Q743 F750	S741-K745 PolarHBondContact O-N 2.62Å; I742-K745 PolarHBondContact O-N 3.08Å; Q743-K745 PolarHBondContact O-N 3.28Å; K745-F750 HydrophobicContact CB-CD2 4.49Å; K745-F750 HydrophobicContact CB-CE2 3.59Å; K745-F750 HydrophobicContact CB-CZ 4.33Å; K745-F750 HydrophobicContact CG-CE2 4.14Å
746	K	78.9	Confident	76.7	Confident	152 Å²	152	44.7 Å²	44.7	66%	0.661	22%	0.221	S	C	*	.	H	α-helix	trans	-70	-35.4	-177	-77.3	-179.5	175.9	-173.4	0	113	I742 Q743	I742-K746 HydrophobicContact CG2-CD 4.2Å; I742-K746 WeakPolarHBondContact O-CG 3.38Å; I742-K746 PolarHBondContact O-N 3.13Å; I742-K746 VanDerWaalsContact O-N 3.1Å; Q743-K746 PolarHBondContact O-N 3.02Å
747	Q	71.5	Confident	75.3	Confident	34 Å²	34	45.5 Å²	45.5	16%	0.159	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	6.5	-173.7	-67.1	-172.8	9.2	0	0	113.8	Q743 V749 N865 L869	Q743-Q747 PolarHBondContact O-N 2.89Å; Q747-V749 HydrophobicContact CB-CG2 3.69Å; Q747-V749 PolarHBondContact O-N 2.83Å; Q747-N865 PolarHBondContact NE2-ND2 3.46Å; Q747-L869 HydrophobicContact CB-CD2 4.11Å; Q747-L869 HydrophobicContact CG-CD2 4.25Å; Q747-L869 VanDerWaalsContact OE1-CD2 3.24Å
748	D	71.2	Confident	74	Confident	93 Å²	93	51.1 Å²	51.1	50%	0.497	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	27.3	-177.1	-151.6	19.6	0	0	0	114.5	L744 F750 Q751	L744-D748 PolarHBondContact O-N 2.95Å; D748-F750 PolarHBondContact O-N 3.05Å; D748-Q751 PolarHBondContact O-N 3.21Å
749	V	68.1	Low	73.3	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.006	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-16.8	177.7	-179.5	0	0	0	0	111.3	L744 Q747 Q751 S752 V753 T866 L869 H870	L744-V749 HydrophobicContact CD2-CB 4Å; L744-V749 HydrophobicContact CD2-CG1 3.94Å; L744-V749 PolarHBondContact O-N 3.47Å; Q747-V749 HydrophobicContact CB-CG2 3.69Å; Q747-V749 PolarHBondContact O-N 2.83Å; V749-Q751 PolarHBondContact O-N 2.82Å; V749-Q751 VanDerWaalsContact O-N 3.09Å; V749-S752 WeakPolarHBondContact CG1-OG 3.5Å; V749-S752 PolarHBondContact O-N 3.04Å; V749-S752 PolarHBondContact O-OG 3.07Å; V749-V753 HydrophobicContact CG1-CG2 4.13Å; V749-V753 PolarHBondContact O-N 2.65Å; V749-V753 VanDerWaalsContact O-N 3.14Å; V749-T866 HydrophobicContact CB-CG2 4.19Å; V749-T866 HydrophobicContact CG1-CG2 4.01Å; V749-T866 HydrophobicContact CG2-CG2 3.51Å; V749-L869 HydrophobicContact CB-CD2 4.35Å; V749-L869 HydrophobicContact CG2-CD2 3.79Å; V749-L869 HydrophobicContact CG2-CG 4.46Å; V749-H870 HydrophobicContact CG1-CB 4.1Å
750	F	63.4	Low	73	Confident	26 Å²	26	53.2 Å²	53.2	11%	0.114	27%	0.267	C	S	.	.	H	α-helix	trans	-49.5	-35.6	175.4	-77.1	-57.1	0	0	0	113	L744 K745 D748 S752 V753 S754 R901 I902	L744-F750 VanDerWaalsContact C-CE2 3.49Å; L744-F750 HydrophobicContact CB-CD1 4.22Å; L744-F750 HydrophobicContact CB-CD2 4.49Å; L744-F750 HydrophobicContact CB-CE1 3.73Å; L744-F750 HydrophobicContact CB-CE2 4.09Å; L744-F750 HydrophobicContact CB-CZ 3.65Å; L744-F750 HydrophobicContact CD1-CE1 4.24Å; L744-F750 WeakPolarHBondContact O-CD2 3.49Å; K745-F750 HydrophobicContact CB-CD2 4.49Å; K745-F750 HydrophobicContact CB-CE2 3.59Å; K745-F750 HydrophobicContact CB-CZ 4.33Å; K745-F750 HydrophobicContact CG-CE2 4.14Å; D748-F750 PolarHBondContact O-N 3.05Å; F750-S752 VanDerWaalsContact C-N 3.34Å; F750-S752 PolarHBondContact O-N 3.5Å; F750-V753 PolarHBondContact O-N 3.15Å; F750-S754 WeakPolarHBondContact O-CB 3.37Å; F750-S754 PolarHBondContact O-N 3.31Å; F750-S754 PolarHBondContact O-OG 2.97Å; F750-S754 VanDerWaalsContact O-OG 3.09Å; F750-R901 HydrophobicContact CE1-CB 4.36Å; F750-R901 HydrophobicContact CZ-CB 4.16Å; F750-I902 HydrophobicContact CD1-CB 4.32Å; F750-I902 HydrophobicContact CD1-CG1 3.8Å; F750-I902 HydrophobicContact CE1-CG1 3.73Å
751	Q	60.9	Low	73	Confident	121 Å²	121	54 Å²	54	57%	0.565	27%	0.271	S	S	*	.	H	α-helix	trans	-67	-35.4	179	-165.8	157.4	-5.7	0	0	112.8	D748 V749 S754 T755	D748-Q751 PolarHBondContact O-N 3.21Å; V749-Q751 PolarHBondContact O-N 2.82Å; V749-Q751 VanDerWaalsContact O-N 3.09Å; Q751-S754 PolarHBondContact O-OG 3.45Å; Q751-T755 VanDerWaalsContact O-CG2 3.31Å; Q751-T755 WeakPolarHBondContact O-CG2 3.48Å; Q751-T755 PolarHBondContact O-N 3.32Å
752	S	65.1	Low	73.1	Confident	34 Å²	34	54 Å²	54	24%	0.238	27%	0.271	C	S	.	.	H	α-helix	trans	-71.8	-37	174.1	74.5	0	0	0	0	112.2	V749 F750 T755 H870	V749-S752 WeakPolarHBondContact CG1-OG 3.5Å; V749-S752 PolarHBondContact O-N 3.04Å; V749-S752 PolarHBondContact O-OG 3.07Å; F750-S752 VanDerWaalsContact C-N 3.34Å; F750-S752 PolarHBondContact O-N 3.5Å; S752-T755 PolarHBondContact O-OG1 2.69Å; S752-H870 PolarHBondContact OG-ND1 3.46Å
753	V	64.2	Low	73.2	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-74.3	-43.4	-179.8	-179	0	0	0	0	110.8	L744 V749 F750 T755 I756 H757 Y873 I902	L744-V753 HydrophobicContact CD2-CG2 4.44Å; V749-V753 HydrophobicContact CG1-CG2 4.13Å; V749-V753 PolarHBondContact O-N 2.65Å; V749-V753 VanDerWaalsContact O-N 3.14Å; F750-V753 PolarHBondContact O-N 3.15Å; V753-T755 VanDerWaalsContact C-N 3.3Å; V753-T755 PolarHBondContact O-N 2.89Å; V753-I756 WeakPolarHBondContact O-CG1 3.33Å; V753-I756 PolarHBondContact O-N 2.74Å; V753-H757 WeakPolarHBondContact O-CB 3.47Å; V753-H757 PolarHBondContact O-N 2.95Å; V753-H757 VanDerWaalsContact O-N 3.12Å; V753-Y873 HydrophobicContact CG1-CD1 3.84Å; V753-Y873 HydrophobicContact CG1-CE1 3.5Å; V753-Y873 VanDerWaalsContact CG1-CE1 3.5Å; V753-Y873 HydrophobicContact CG2-CD1 4.34Å; V753-I902 HydrophobicContact CG1-CD1 3.88Å; V753-I902 HydrophobicContact CG1-CG1 4.41Å; V753-I902 HydrophobicContact CG1-CG2 4.14Å
754	S	60	Low	73.4	Confident	34 Å²	34	52 Å²	52	24%	0.238	26%	0.264	C	S	.	.	H	α-helix	trans	-62.1	-36.1	-177.7	67.4	0	0	0	0	112.5	F750 Q751 I756 H757	F750-S754 WeakPolarHBondContact O-CB 3.37Å; F750-S754 PolarHBondContact O-N 3.31Å; F750-S754 PolarHBondContact O-OG 2.97Å; F750-S754 VanDerWaalsContact O-OG 3.09Å; Q751-S754 PolarHBondContact O-OG 3.45Å; S754-I756 PolarHBondContact O-N 3.2Å; S754-I756 VanDerWaalsContact O-N 3.1Å; S754-H757 PolarHBondContact O-N 3.31Å
755	T	59.3	Low	73.8	Confident	91 Å²	91	51.9 Å²	51.9	56%	0.558	26%	0.264	S	S	*	.	H	α-helix	trans	-59.4	-23.7	179.4	51.9	0	0	0	0	114.6	Q751 S752 V753 H758	Q751-T755 VanDerWaalsContact O-CG2 3.31Å; Q751-T755 WeakPolarHBondContact O-CG2 3.48Å; Q751-T755 PolarHBondContact O-N 3.32Å; S752-T755 PolarHBondContact O-OG1 2.69Å; V753-T755 VanDerWaalsContact C-N 3.3Å; V753-T755 PolarHBondContact O-N 2.89Å; T755-H758 PolarHBondContact O-CE1 3.34Å; T755-H758 PolarHBondContact O-ND1 3.07Å
756	I	63.1	Low	74.3	Confident	22 Å²	22	49.1 Å²	49.1	11%	0.113	25%	0.254	C	S	.	.	H	α-helix	trans	-119	-0.1	-179.8	61.6	175.7	0	0	0	113.3	V753 S754 H758 K759 Q764 F768	V753-I756 WeakPolarHBondContact O-CG1 3.33Å; V753-I756 PolarHBondContact O-N 2.74Å; S754-I756 PolarHBondContact O-N 3.2Å; S754-I756 VanDerWaalsContact O-N 3.1Å; I756-H758 VanDerWaalsContact C-N 3.27Å; I756-H758 PolarHBondContact O-N 2.75Å; I756-K759 HydrophobicContact CB-CD 4.46Å; I756-K759 VanDerWaalsContact O-CB 3.29Å; I756-K759 WeakPolarHBondContact O-CB 3.13Å; I756-K759 PolarHBondContact O-N 3.46Å; I756-Q764 HydrophobicContact CB-CG 4.38Å; I756-Q764 HydrophobicContact CD1-CB 4.05Å; I756-Q764 HydrophobicContact CD1-CG 4.13Å; I756-Q764 HydrophobicContact CG1-CG 4.12Å; I756-Q764 WeakPolarHBondContact O-CG 3.35Å; I756-F768 HydrophobicContact CD1-CB 3.73Å; I756-F768 HydrophobicContact CD1-CG 4.3Å
757	H	64.6	Low	74.7	Confident	21 Å²	21	45.3 Å²	45.3	10%	0.097	24%	0.241	C	C	.	.	H	α-helix	trans	-64.5	-29.5	-172	-174.4	-91.3	0	0	0	113.5	V753 S754 K759 Q764 N899 I902 E903	V753-H757 WeakPolarHBondContact O-CB 3.47Å; V753-H757 PolarHBondContact O-N 2.95Å; V753-H757 VanDerWaalsContact O-N 3.12Å; S754-H757 PolarHBondContact O-N 3.31Å; H757-K759 PolarHBondContact O-N 3.48Å; H757-K759 VanDerWaalsContact O-N 3.12Å; H757-Q764 PolarHBondContact O-NE2 3.26Å; H757-N899 PolarHBondContact NE2-OD1 3.29Å; H757-I902 HydrophobicContact CB-CG2 4.28Å; H757-E903 IonicContact CE1-OE1 2.74Å; H757-E903 PolarHBondContact CE1-OE1 3.5Å; H757-E903 VanDerWaalsContact CE1-OE1 3.27Å; H757-E903 IonicContact CE1-OE2 2.87Å; H757-E903 IonicContact ND1-OE1 3.77Å; H757-E903 PolarHBondContact ND1-OE1 3.48Å
758	H	68.1	Low	75.5	Confident	118 Å²	118	45.4 Å²	45.4	55%	0.546	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-11	173.2	64.7	-89.5	0	0	0	114.2	T755 I756 L909	T755-H758 PolarHBondContact O-CE1 3.34Å; T755-H758 PolarHBondContact O-ND1 3.07Å; I756-H758 VanDerWaalsContact C-N 3.27Å; I756-H758 PolarHBondContact O-N 2.75Å; H758-L909 HydrophobicContact CB-CD2 3.79Å
759	K	78.4	Confident	76.3	Confident	72 Å²	72	41 Å²	41	31%	0.313	22%	0.218	S	C	.	.	S	Bend	trans	-92.3	155.6	177.7	-56	-179.3	172.9	179.4	0	110.5	I756 H757 T763 Q764 D767	I756-K759 HydrophobicContact CB-CD 4.46Å; I756-K759 VanDerWaalsContact O-CB 3.29Å; I756-K759 WeakPolarHBondContact O-CB 3.13Å; I756-K759 PolarHBondContact O-N 3.46Å; H757-K759 PolarHBondContact O-N 3.48Å; H757-K759 VanDerWaalsContact O-N 3.12Å; K759-T763 HydrophobicContact CB-CG2 4.11Å; K759-T763 HydrophobicContact CD-CG2 3.77Å; K759-T763 HydrophobicContact CG-CG2 4.42Å; K759-Q764 HydrophobicContact CB-CG 4.37Å; K759-Q764 PolarHBondContact O-NE2 3.09Å; K759-D767 WeakPolarHBondContact CD-OD2 3.4Å; K759-D767 IonicContact NZ-OD2 3.88Å; K759-D767 PolarHBondContact NZ-OD2 3.05Å
760	S	85.6	Confident	77.1	Confident	49 Å²	49	41 Å²	41	34%	0.343	22%	0.219	S	C	.	.			trans	-58.9	152.8	172.8	69.9	0	0	0	0	111.4	G762 T763 Q764	S760-G762 PolarHBondContact O-N 3.37Å; S760-T763 PolarHBondContact O-N 2.92Å; S760-T763 PolarHBondContact OG-N 2.84Å; S760-T763 PolarHBondContact OG-OG1 3.02Å; S760-Q764 PolarHBondContact O-N 2.79Å
761	L	89.5	Confident	78.2	Confident	16 Å²	16	41.7 Å²	41.7	8%	0.084	23%	0.233	C	C	.	.	H	α-helix	trans	-54.6	-39.1	-179	-178.4	61.9	0	0	0	112.6	Q764 W765 L874 M877 W926	L761-Q764 WeakPolarHBondContact O-CB 3.48Å; L761-Q764 PolarHBondContact O-N 3.24Å; L761-W765 VanDerWaalsContact O-CD1 3.27Å; L761-W765 PolarHBondContact O-N 2.88Å; L761-W765 VanDerWaalsContact O-N 3.08Å; L761-L874 HydrophobicContact CD1-CD2 3.99Å; L761-M877 HydrophobicContact CD1-CB 4.01Å; L761-M877 HydrophobicContact CD2-CB 4.45Å; L761-W926 HydrophobicContact CB-CH2 4.24Å; L761-W926 HydrophobicContact CB-CZ3 4.29Å; L761-W926 HydrophobicContact CD2-CH2 4.36Å; L761-W926 HydrophobicContact CD2-CZ3 3.98Å; L761-W926 HydrophobicContact CG-CH2 4.36Å; L761-W926 HydrophobicContact CG-CZ3 3.94Å
762	G	89	Confident	79.3	Confident	2 Å²	2	36.5 Å²	36.5	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-62.8	-41.7	175.4	0	0	0	0	0	113.3	S760 Q764 W765 I766	S760-G762 PolarHBondContact O-N 3.37Å; G762-Q764 VanDerWaalsContact C-N 3.33Å; G762-W765 WeakPolarHBondContact O-CB 3.43Å; G762-W765 PolarHBondContact O-N 3.35Å; G762-I766 WeakPolarHBondContact O-CG1 3.45Å; G762-I766 PolarHBondContact O-N 3.47Å
763	T	88.8	Confident	80	Confident	51 Å²	51	35 Å²	35	31%	0.313	20%	0.198	S	C	.	.	H	α-helix	trans	-68.5	-34.4	175.9	-53.1	0	0	0	0	111.5	K759 S760 W765 I766 D767	K759-T763 HydrophobicContact CB-CG2 4.11Å; K759-T763 HydrophobicContact CD-CG2 3.77Å; K759-T763 HydrophobicContact CG-CG2 4.42Å; S760-T763 PolarHBondContact O-N 2.92Å; S760-T763 PolarHBondContact OG-N 2.84Å; S760-T763 PolarHBondContact OG-OG1 3.02Å; T763-W765 VanDerWaalsContact C-N 3.33Å; T763-W765 PolarHBondContact O-N 3.49Å; T763-I766 PolarHBondContact O-N 2.83Å; T763-D767 WeakPolarHBondContact CG2-OD2 3.2Å; T763-D767 VanDerWaalsContact O-CB 3.32Å; T763-D767 WeakPolarHBondContact O-CB 3.42Å; T763-D767 PolarHBondContact O-N 3.26Å
764	Q	89.6	Confident	80.6	Confident	11 Å²	11	42.8 Å²	42.8	5%	0.051	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-42.6	172.5	-64.8	178.4	35.6	0	0	111.4	I756 H757 K759 S760 L761 G762 F768 L874	I756-Q764 HydrophobicContact CB-CG 4.38Å; I756-Q764 HydrophobicContact CD1-CB 4.05Å; I756-Q764 HydrophobicContact CD1-CG 4.13Å; I756-Q764 HydrophobicContact CG1-CG 4.12Å; I756-Q764 WeakPolarHBondContact O-CG 3.35Å; H757-Q764 PolarHBondContact O-NE2 3.26Å; K759-Q764 HydrophobicContact CB-CG 4.37Å; K759-Q764 PolarHBondContact O-NE2 3.09Å; S760-Q764 PolarHBondContact O-N 2.79Å; L761-Q764 WeakPolarHBondContact O-CB 3.48Å; L761-Q764 PolarHBondContact O-N 3.24Å; G762-Q764 VanDerWaalsContact C-N 3.33Å; Q764-F768 VanDerWaalsContact O-CB 3.26Å; Q764-F768 WeakPolarHBondContact O-CB 3.39Å; Q764-F768 PolarHBondContact O-N 3.04Å; Q764-F768 VanDerWaalsContact O-N 3.12Å; Q764-L874 HydrophobicContact CB-CD2 3.92Å
765	W	92.2	Very high	81.3	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.243	C	C	.	.	I	π-helix	trans	-59.3	-50.5	172.5	-82.8	110.6	0	0	0	112.4	L761 G762 T763 V769 G770 I786 L789 I871 L874 T878 W926 F927 F929	L761-W765 VanDerWaalsContact O-CD1 3.27Å; L761-W765 PolarHBondContact O-N 2.88Å; L761-W765 VanDerWaalsContact O-N 3.08Å; G762-W765 WeakPolarHBondContact O-CB 3.43Å; G762-W765 PolarHBondContact O-N 3.35Å; T763-W765 VanDerWaalsContact C-N 3.33Å; T763-W765 PolarHBondContact O-N 3.49Å; W765-V769 HydrophobicContact CE3-CB 3.95Å; W765-V769 HydrophobicContact CE3-CG1 4.25Å; W765-V769 HydrophobicContact CE3-CG2 3.53Å; W765-V769 HydrophobicContact CZ3-CB 4.34Å; W765-V769 HydrophobicContact CZ3-CG1 4.24Å; W765-V769 HydrophobicContact CZ3-CG2 3.75Å; W765-V769 WeakPolarHBondContact O-CA 3.41Å; W765-V769 VanDerWaalsContact O-CB 3.26Å; W765-V769 WeakPolarHBondContact O-CB 3.5Å; W765-V769 PolarHBondContact O-N 3.3Å; W765-G770 PolarHBondContact O-N 3.08Å; W765-G770 VanDerWaalsContact O-N 3.14Å; W765-I786 HydrophobicContact CH2-CG1 4.14Å; W765-I786 HydrophobicContact CZ3-CD1 4.13Å; W765-I786 HydrophobicContact CZ3-CG1 3.83Å; W765-I786 HydrophobicContact CZ3-CG2 4.38Å; W765-L789 HydrophobicContact CH2-CD2 4.09Å; W765-L789 HydrophobicContact CZ2-CD2 3.61Å; W765-I871 HydrophobicContact CH2-CG2 4.47Å; W765-L874 HydrophobicContact CD2-CB 4.28Å; W765-L874 HydrophobicContact CD2-CD1 4.3Å; W765-L874 HydrophobicContact CE3-CD1 4.27Å; W765-L874 HydrophobicContact CH2-CB 3.88Å; W765-L874 HydrophobicContact CZ2-CB 3.53Å; W765-L874 HydrophobicContact CZ3-CB 4.38Å; W765-T878 PolarHBondContact NE1-OG1 3.47Å; W765-W926 HydrophobicContact CB-CB 4.41Å; W765-W926 AromaticContact CD1-CE3 3.81Å; W765-F927 HydrophobicContact CD2-CD1 4.49Å; W765-F927 AromaticContact CD2-CE1 3.65Å; W765-F927 HydrophobicContact CD2-CE1 3.65Å; W765-F927 HydrophobicContact CD2-CZ 4.23Å; W765-F927 AromaticContact CE2-CE1 3.75Å; W765-F927 HydrophobicContact CE3-CD1 4.32Å; W765-F927 AromaticContact CE3-CE1 3.77Å; W765-F927 HydrophobicContact CE3-CE1 3.77Å; W765-F927 HydrophobicContact CG-CE1 4.19Å; W765-F927 HydrophobicContact CG-CZ 4.49Å; W765-F927 HydrophobicContact CH2-CE1 4.14Å; W765-F927 HydrophobicContact CZ2-CE1 4Å; W765-F927 HydrophobicContact CZ2-CZ 4.39Å; W765-F927 HydrophobicContact CZ3-CE1 4.02Å; W765-F929 HydrophobicContact CE3-CZ 4.48Å
766	I	89.1	Confident	81.7	Confident	83 Å²	83	46.3 Å²	46.3	43%	0.426	25%	0.248	S	C	.	.	I	π-helix	trans	-66.4	-47.3	-175.5	-66.9	165.6	0	0	0	111.6	G762 T763 G770	G762-I766 WeakPolarHBondContact O-CG1 3.45Å; G762-I766 PolarHBondContact O-N 3.47Å; T763-I766 PolarHBondContact O-N 2.83Å; I766-G770 WeakPolarHBondContact O-CA 3.39Å; I766-G770 PolarHBondContact O-N 3.35Å; I766-G770 VanDerWaalsContact O-N 3.15Å
767	D	87.4	Confident	82.1	Confident	72 Å²	72	50.7 Å²	50.7	39%	0.385	27%	0.268	S	S	.	.	I	π-helix	trans	-73.5	-49	-173.8	-72.7	-8.4	0	0	0	111.6	K759 T763 G771	K759-D767 WeakPolarHBondContact CD-OD2 3.4Å; K759-D767 IonicContact NZ-OD2 3.88Å; K759-D767 PolarHBondContact NZ-OD2 3.05Å; T763-D767 WeakPolarHBondContact CG2-OD2 3.2Å; T763-D767 VanDerWaalsContact O-CB 3.32Å; T763-D767 WeakPolarHBondContact O-CB 3.42Å; T763-D767 PolarHBondContact O-N 3.26Å; D767-G771 PolarHBondContact O-N 3.41Å
768	F	87.4	Confident	82.7	Confident	36 Å²	36	50.2 Å²	50.2	16%	0.158	27%	0.266	C	S	.	.	I	π-helix	trans	-77.6	-61.3	-176.8	-179.2	-109.2	0	0	0	111.1	I756 Q764 G771 L772 N867 H870 I871 L874	I756-F768 HydrophobicContact CD1-CB 3.73Å; I756-F768 HydrophobicContact CD1-CG 4.3Å; Q764-F768 VanDerWaalsContact O-CB 3.26Å; Q764-F768 WeakPolarHBondContact O-CB 3.39Å; Q764-F768 PolarHBondContact O-N 3.04Å; Q764-F768 VanDerWaalsContact O-N 3.12Å; F768-G771 PolarHBondContact O-N 2.8Å; F768-L772 HydrophobicContact CD1-CD1 4.26Å; F768-L772 HydrophobicContact CE1-CD1 3.69Å; F768-L772 HydrophobicContact CE2-CD1 4.36Å; F768-L772 HydrophobicContact CZ-CD1 3.76Å; F768-L772 WeakPolarHBondContact O-CG 3.47Å; F768-L772 PolarHBondContact O-N 2.82Å; F768-N867 HydrophobicContact CZ-CB 4.47Å; F768-H870 HydrophobicContact CD1-CB 4.48Å; F768-H870 AromaticContact CD1-CD2 3.79Å; F768-H870 AromaticContact CD1-CE1 3.88Å; F768-H870 AromaticContact CD1-CG 3.83Å; F768-H870 AromaticContact CD1-ND1 3.9Å; F768-H870 AromaticContact CD1-NE2 3.85Å; F768-H870 AromaticContact CD2-CE1 3.86Å; F768-H870 AromaticContact CD2-ND1 3.94Å; F768-H870 HydrophobicContact CE1-CB 3.55Å; F768-H870 AromaticContact CE1-CD2 3.73Å; F768-H870 AromaticContact CE1-CG 3.33Å; F768-H870 AromaticContact CE1-ND1 3.53Å; F768-H870 AromaticContact CE2-CE1 3.97Å; F768-H870 AromaticContact CE2-ND1 3.57Å; F768-H870 AromaticContact CG-CE1 3.83Å; F768-H870 HydrophobicContact CZ-CB 3.69Å; F768-H870 AromaticContact CZ-CG 3.55Å; F768-H870 AromaticContact CZ-ND1 3.35Å; F768-H870 WeakPolarHBondContact CZ-ND1 3.43Å; F768-I871 HydrophobicContact CE1-CG1 4.33Å; F768-L874 HydrophobicContact CD1-CD1 4.11Å
769	V	88.5	Confident	83.1	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.	I	π-helix	trans	-75	-36.7	-173.4	-171.2	0	0	0	0	111.1	W765 G771 L772 S773 L778 I786 I871 L874 F929	W765-V769 HydrophobicContact CE3-CB 3.95Å; W765-V769 HydrophobicContact CE3-CG1 4.25Å; W765-V769 HydrophobicContact CE3-CG2 3.53Å; W765-V769 HydrophobicContact CZ3-CB 4.34Å; W765-V769 HydrophobicContact CZ3-CG1 4.24Å; W765-V769 HydrophobicContact CZ3-CG2 3.75Å; W765-V769 WeakPolarHBondContact O-CA 3.41Å; W765-V769 VanDerWaalsContact O-CB 3.26Å; W765-V769 WeakPolarHBondContact O-CB 3.5Å; W765-V769 PolarHBondContact O-N 3.3Å; V769-G771 VanDerWaalsContact C-N 3.3Å; V769-G771 PolarHBondContact O-N 2.92Å; V769-L772 PolarHBondContact O-N 2.86Å; V769-S773 VanDerWaalsContact O-CB 3.28Å; V769-S773 WeakPolarHBondContact O-CB 3.48Å; V769-S773 PolarHBondContact O-N 3.29Å; V769-L778 HydrophobicContact CG1-CD1 4.12Å; V769-L778 HydrophobicContact CG1-CD2 4.01Å; V769-I786 HydrophobicContact CG1-CD1 3.63Å; V769-I871 HydrophobicContact CG2-CG1 4.13Å; V769-L874 HydrophobicContact CG2-CD1 3.72Å; V769-F929 HydrophobicContact CB-CE1 4.42Å; V769-F929 HydrophobicContact CB-CE2 4.16Å; V769-F929 HydrophobicContact CB-CZ 3.72Å; V769-F929 HydrophobicContact CG1-CE2 3.62Å; V769-F929 HydrophobicContact CG1-CZ 3.54Å
770	G	85.7	Confident	82.9	Confident	3 Å²	3	42.8 Å²	42.8	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-35	170.4	0	0	0	0	0	112.8	W765 I766 S773 K774	W765-G770 PolarHBondContact O-N 3.08Å; W765-G770 VanDerWaalsContact O-N 3.14Å; I766-G770 WeakPolarHBondContact O-CA 3.39Å; I766-G770 PolarHBondContact O-N 3.35Å; I766-G770 VanDerWaalsContact O-N 3.15Å; G770-S773 WeakPolarHBondContact O-CB 3.42Å; G770-S773 PolarHBondContact O-N 3Å; G770-K774 WeakPolarHBondContact O-CG 3.26Å; G770-K774 PolarHBondContact O-N 2.74Å
771	G	85.2	Confident	82.6	Confident	40 Å²	40	40.8 Å²	40.8	41%	0.412	22%	0.217	S	C	.	.	H	α-helix	trans	-61.9	-48.7	170.2	0	0	0	0	0	112.9	D767 F768 V769 S773 K774 G775	D767-G771 PolarHBondContact O-N 3.41Å; F768-G771 PolarHBondContact O-N 2.8Å; V769-G771 VanDerWaalsContact C-N 3.3Å; V769-G771 PolarHBondContact O-N 2.92Å; G771-S773 VanDerWaalsContact C-N 3.29Å; G771-S773 PolarHBondContact O-N 3.32Å; G771-K774 PolarHBondContact O-N 2.9Å; G771-G775 PolarHBondContact O-N 3.22Å
772	L	84	Confident	82.4	Confident	12 Å²	12	40.1 Å²	40.1	6%	0.063	21%	0.213	C	C	.	.	H	α-helix	trans	-60.8	-38.4	175.1	-66.2	178.7	0	0	0	112.3	F768 V769 G775 K776 Q777 L778 N867 I871	F768-L772 HydrophobicContact CD1-CD1 4.26Å; F768-L772 HydrophobicContact CE1-CD1 3.69Å; F768-L772 HydrophobicContact CE2-CD1 4.36Å; F768-L772 HydrophobicContact CZ-CD1 3.76Å; F768-L772 WeakPolarHBondContact O-CG 3.47Å; F768-L772 PolarHBondContact O-N 2.82Å; V769-L772 PolarHBondContact O-N 2.86Å; L772-G775 CarbonylContact O-C 3.56Å; L772-G775 PolarHBondContact O-N 3.43Å; L772-K776 PolarHBondContact O-N 3.44Å; L772-Q777 HydrophobicContact CB-CB 4.41Å; L772-Q777 HydrophobicContact CD2-CB 4.09Å; L772-Q777 PolarHBondContact O-N 3.44Å; L772-L778 HydrophobicContact CB-CD2 3.72Å; L772-L778 HydrophobicContact CB-CG 3.97Å; L772-L778 HydrophobicContact CD1-CD2 4.01Å; L772-N867 HydrophobicContact CD1-CB 4.01Å; L772-N867 WeakPolarHBondContact CD2-ND2 3.29Å; L772-I871 HydrophobicContact CD1-CD1 4.26Å
773	S	81.1	Confident	82.2	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.014	21%	0.213	C	C	.	.	H	α-helix	trans	-63.7	-48.9	178.5	-172.2	0	0	0	0	111.5	V769 G770 G771 G775 K776 F929 N933 Y935	V769-S773 VanDerWaalsContact O-CB 3.28Å; V769-S773 WeakPolarHBondContact O-CB 3.48Å; V769-S773 PolarHBondContact O-N 3.29Å; G770-S773 WeakPolarHBondContact O-CB 3.42Å; G770-S773 PolarHBondContact O-N 3Å; G771-S773 VanDerWaalsContact C-N 3.29Å; G771-S773 PolarHBondContact O-N 3.32Å; S773-G775 VanDerWaalsContact C-N 3.28Å; S773-G775 PolarHBondContact O-N 2.87Å; S773-K776 PolarHBondContact O-N 3.32Å; S773-F929 PolarHBondContact OG-O 2.86Å; S773-N933 PolarHBondContact OG-ND2 2.87Å; S773-Y935 PolarHBondContact OG-OH 3.46Å
774	K	76.7	Confident	82.1	Confident	164 Å²	164	38 Å²	38	71%	0.713	20%	0.199	S	C	*	.	H	α-helix	trans	-60	-37.8	174.1	-72.1	177.3	-176.8	178.1	0	112.3	G770 G771 K776	G770-K774 WeakPolarHBondContact O-CG 3.26Å; G770-K774 PolarHBondContact O-N 2.74Å; G771-K774 PolarHBondContact O-N 2.9Å; K774-K776 PolarHBondContact O-N 3.01Å
775	G	74.3	Confident	82.2	Confident	45 Å²	45	37.4 Å²	37.4	46%	0.464	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-0.7	175.9	0	0	0	0	0	115.1	G771 L772 S773 Q777	G771-G775 PolarHBondContact O-N 3.22Å; L772-G775 CarbonylContact O-C 3.56Å; L772-G775 PolarHBondContact O-N 3.43Å; S773-G775 VanDerWaalsContact C-N 3.28Å; S773-G775 PolarHBondContact O-N 2.87Å; G775-Q777 WeakPolarHBondContact O-CG 3.38Å; G775-Q777 PolarHBondContact O-N 3.18Å
776	K	68.5	Low	82.1	Confident	153 Å²	153	37.4 Å²	37.4	67%	0.665	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	34.6	-170.7	-61.3	-170.4	175.6	-169.1	0	113.2	L772 S773 K774	L772-K776 PolarHBondContact O-N 3.44Å; S773-K776 PolarHBondContact O-N 3.32Å; K774-K776 PolarHBondContact O-N 3.01Å
777	Q	71.3	Confident	82	Confident	115 Å²	115	33.6 Å²	33.6	54%	0.537	18%	0.177	S	C	.	.			trans	-94.1	-7.6	-178.9	-63.3	-175.3	-5.4	0	0	113.3	L772 G775	L772-Q777 HydrophobicContact CB-CB 4.41Å; L772-Q777 HydrophobicContact CD2-CB 4.09Å; L772-Q777 PolarHBondContact O-N 3.44Å; G775-Q777 WeakPolarHBondContact O-CG 3.38Å; G775-Q777 PolarHBondContact O-N 3.18Å
778	L	77.1	Confident	82.2	Confident	10 Å²	10	31.9 Å²	31.9	5%	0.052	17%	0.166	C	C	.	.			trans	-74.4	134.4	178.4	-67.4	178.3	0	0	0	111.5	V769 L772 D782 I783 I871 Y935	V769-L778 HydrophobicContact CG1-CD1 4.12Å; V769-L778 HydrophobicContact CG1-CD2 4.01Å; L772-L778 HydrophobicContact CB-CD2 3.72Å; L772-L778 HydrophobicContact CB-CG 3.97Å; L772-L778 HydrophobicContact CD1-CD2 4.01Å; L778-D782 HydrophobicContact CD2-CB 4.31Å; L778-I783 HydrophobicContact CB-CD1 4.4Å; L778-I783 HydrophobicContact CB-CG1 4.03Å; L778-I871 HydrophobicContact CD2-CD1 3.67Å; L778-Y935 WeakPolarHBondContact CD1-OH 3.36Å
779	R	76.7	Confident	82.5	Confident	32 Å²	32	30.2 Å²	30.2	12%	0.121	16%	0.159	C	C	.	.			trans	-84.1	164.4	177.5	-52.2	-167.4	-81.5	149.7	4.3	110.8	F781 D782 I783 E859 S864 S868	R779-F781 VanDerWaalsContact C-N 3.32Å; R779-F781 HydrophobicContact CB-CD1 3.88Å; R779-F781 HydrophobicContact CB-CE1 3.15Å; R779-F781 HydrophobicContact CB-CZ 3.6Å; R779-F781 VanDerWaalsContact CD-CE1 3.49Å; R779-F781 HydrophobicContact CG-CE1 3.83Å; R779-F781 HydrophobicContact CG-CZ 4.08Å; R779-F781 PolarHBondContact O-N 2.92Å; R779-D782 VanDerWaalsContact CB-OD2 3.23Å; R779-D782 WeakPolarHBondContact CB-OD2 3.01Å; R779-D782 WeakPolarHBondContact CG-OD2 3.37Å; R779-D782 PolarHBondContact N-OD2 2.96Å; R779-D782 IonicContact NE-OD2 2.74Å; R779-D782 WeakPolarHBondContact O-CB 3.46Å; R779-D782 PolarHBondContact O-N 3Å; R779-I783 WeakPolarHBondContact O-CG1 3.44Å; R779-I783 PolarHBondContact O-N 3.07Å; R779-E859 IonicContact CZ-OE1 3.01Å; R779-E859 VanDerWaalsContact CZ-OE1 3.26Å; R779-E859 IonicContact CZ-OE2 2.82Å; R779-E859 VanDerWaalsContact NH1-CD 3.34Å; R779-E859 IonicContact NH1-OE1 3.8Å; R779-E859 PolarHBondContact NH1-OE1 3.47Å; R779-E859 IonicContact NH1-OE2 3.84Å; R779-E859 PolarHBondContact NH1-OE2 3.25Å; R779-E859 VanDerWaalsContact NH2-CD 3.28Å; R779-E859 IonicContact NH2-OE1 3.61Å; R779-E859 PolarHBondContact NH2-OE1 3.29Å; R779-E859 IonicContact NH2-OE2 2.73Å; R779-E859 PolarHBondContact NH2-OE2 3.44Å; R779-S864 WeakPolarHBondContact CD-OG 3.42Å; R779-S868 PolarHBondContact NE-OG 3.04Å; R779-S868 PolarHBondContact NH2-OG 3.32Å
780	L	74.1	Confident	82.5	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-55.6	-45.3	179.8	-179.6	69.1	0	0	0	112.5	I783 W784 V942 I945 M946 L949 I966 H968	L780-I783 PolarHBondContact O-N 3.43Å; L780-W784 WeakPolarHBondContact O-CB 3.18Å; L780-W784 PolarHBondContact O-N 2.64Å; L780-V942 HydrophobicContact CD1-CB 4.08Å; L780-V942 HydrophobicContact CD1-CG1 3.73Å; L780-V942 HydrophobicContact CD1-CG2 3.67Å; L780-V942 HydrophobicContact CG-CG1 4.41Å; L780-I945 HydrophobicContact CD2-CG2 3.75Å; L780-M946 HydrophobicContact CD2-SD 4.18Å; L780-M946 HydrophobicContact CG-SD 4.3Å; L780-L949 HydrophobicContact CD2-CD1 4.38Å; L780-I966 HydrophobicContact CB-CG2 4.12Å; L780-I966 HydrophobicContact CD2-CG2 3.77Å; L780-H968 VanDerWaalsContact CA-NE2 3.25Å; L780-H968 WeakPolarHBondContact CA-NE2 3.48Å; L780-H968 VanDerWaalsContact CB-NE2 3.33Å; L780-H968 WeakPolarHBondContact CB-NE2 3.3Å; L780-H968 WeakPolarHBondContact CD1-CE1 3.45Å; L780-H968 PolarHBondContact N-NE2 3.42Å
781	F	77.9	Confident	82.6	Confident	8 Å²	8	34.2 Å²	34.2	4%	0.035	17%	0.173	C	C	.	.	H	α-helix	trans	-77.1	-23.5	-176.8	70.2	-83.2	0	0	0	112	R779 I785 Y852 V855 M946	R779-F781 VanDerWaalsContact C-N 3.32Å; R779-F781 HydrophobicContact CB-CD1 3.88Å; R779-F781 HydrophobicContact CB-CE1 3.15Å; R779-F781 HydrophobicContact CB-CZ 3.6Å; R779-F781 VanDerWaalsContact CD-CE1 3.49Å; R779-F781 HydrophobicContact CG-CE1 3.83Å; R779-F781 HydrophobicContact CG-CZ 4.08Å; R779-F781 PolarHBondContact O-N 2.92Å; F781-I785 PolarHBondContact O-N 3.23Å; F781-Y852 AromaticContact CD2-CD2 3.51Å; F781-Y852 HydrophobicContact CD2-CD2 3.51Å; F781-Y852 AromaticContact CD2-CE2 3.25Å; F781-Y852 HydrophobicContact CD2-CE2 3.25Å; F781-Y852 HydrophobicContact CE2-CD2 4.04Å; F781-Y852 AromaticContact CE2-CE2 3.32Å; F781-Y852 HydrophobicContact CE2-CE2 3.32Å; F781-V855 HydrophobicContact CD1-CG1 4.42Å; F781-V855 HydrophobicContact CD2-CG1 4.18Å; F781-V855 HydrophobicContact CE2-CG1 4.49Å; F781-V855 HydrophobicContact CG-CG1 4.3Å; F781-M946 HydrophobicContact CB-CE 3.98Å; F781-M946 HydrophobicContact CB-SD 4.28Å
782	D	86.5	Confident	82.9	Confident	2 Å²	2	32.7 Å²	32.7	1%	0.011	16%	0.155	C	C	.	.	H	α-helix	trans	-64.6	-52.1	168.3	-62.7	-41.6	0	0	0	110	L778 R779 W784 I785 I786 Y852 S868 I871	L778-D782 HydrophobicContact CD2-CB 4.31Å; R779-D782 VanDerWaalsContact CB-OD2 3.23Å; R779-D782 WeakPolarHBondContact CB-OD2 3.01Å; R779-D782 WeakPolarHBondContact CG-OD2 3.37Å; R779-D782 PolarHBondContact N-OD2 2.96Å; R779-D782 IonicContact NE-OD2 2.74Å; R779-D782 WeakPolarHBondContact O-CB 3.46Å; R779-D782 PolarHBondContact O-N 3Å; D782-W784 PolarHBondContact O-N 2.99Å; D782-I785 WeakPolarHBondContact O-CG2 3.06Å; D782-I785 PolarHBondContact O-N 3Å; D782-I786 WeakPolarHBondContact O-CB 3.34Å; D782-I786 VanDerWaalsContact O-CD1 3.3Å; D782-I786 WeakPolarHBondContact O-CD1 3.43Å; D782-I786 WeakPolarHBondContact O-CG1 3.46Å; D782-I786 PolarHBondContact O-N 3.46Å; D782-Y852 PolarHBondContact OD1-OH 3.07Å; D782-S868 PolarHBondContact OD1-OG 3.38Å; D782-I871 HydrophobicContact CB-CD1 3.97Å
783	I	84.1	Confident	83.3	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-55.1	-43.7	176.4	-67.1	167.2	0	0	0	110.1	L778 R779 L780 H787 L930 Y935 L939 V942	L778-I783 HydrophobicContact CB-CD1 4.4Å; L778-I783 HydrophobicContact CB-CG1 4.03Å; R779-I783 WeakPolarHBondContact O-CG1 3.44Å; R779-I783 PolarHBondContact O-N 3.07Å; L780-I783 PolarHBondContact O-N 3.43Å; I783-H787 VanDerWaalsContact O-CB 3.3Å; I783-H787 WeakPolarHBondContact O-CB 3.16Å; I783-H787 PolarHBondContact O-N 2.97Å; I783-L930 HydrophobicContact CB-CD1 4.45Å; I783-L930 HydrophobicContact CG1-CD1 4.19Å; I783-L930 HydrophobicContact CG2-CD1 4.1Å; I783-Y935 HydrophobicContact CD1-CD1 3.85Å; I783-Y935 HydrophobicContact CD1-CE1 3.5Å; I783-Y935 HydrophobicContact CG1-CE1 4.28Å; I783-L939 HydrophobicContact CG2-CD2 3.48Å; I783-L939 VanDerWaalsContact CG2-CD2 3.48Å; I783-V942 HydrophobicContact CG2-CG1 4.35Å; I783-V942 HydrophobicContact CG2-CG2 4.16Å
784	W	86.1	Confident	83.6	Confident	5 Å²	5	32.7 Å²	32.7	2%	0.019	16%	0.155	C	C	.	.	H	α-helix	trans	-62.3	-51.7	179	174	75.4	0	0	0	113.5	L780 D782 I786 H787 K788 D847 I851 V942 M946	L780-W784 WeakPolarHBondContact O-CB 3.18Å; L780-W784 PolarHBondContact O-N 2.64Å; D782-W784 PolarHBondContact O-N 2.99Å; W784-I786 VanDerWaalsContact C-N 3.29Å; W784-I786 PolarHBondContact O-N 3.22Å; W784-H787 PolarHBondContact O-N 3.33Å; W784-K788 HydrophobicContact CD2-CG 4.34Å; W784-K788 HydrophobicContact CZ2-CG 4.1Å; W784-K788 WeakPolarHBondContact O-CG 3.21Å; W784-K788 PolarHBondContact O-N 2.79Å; W784-D847 HydrophobicContact CH2-CB 3.82Å; W784-D847 HydrophobicContact CZ2-CB 4.27Å; W784-I851 HydrophobicContact CH2-CB 3.82Å; W784-I851 HydrophobicContact CH2-CD1 3.66Å; W784-I851 HydrophobicContact CH2-CG1 4.34Å; W784-I851 HydrophobicContact CH2-CG2 3.7Å; W784-I851 HydrophobicContact CZ2-CD1 4.02Å; W784-I851 HydrophobicContact CZ3-CB 4.07Å; W784-I851 HydrophobicContact CZ3-CG2 3.66Å; W784-V942 HydrophobicContact CB-CG1 3.68Å; W784-V942 HydrophobicContact CG-CG1 4.42Å; W784-M946 HydrophobicContact CB-CG 3.83Å; W784-M946 HydrophobicContact CD2-CB 4.32Å; W784-M946 HydrophobicContact CD2-CE 3.91Å; W784-M946 HydrophobicContact CD2-CG 4.18Å; W784-M946 HydrophobicContact CE3-CE 3.92Å; W784-M946 HydrophobicContact CG-CB 3.98Å; W784-M946 HydrophobicContact CG-CE 4.22Å; W784-M946 HydrophobicContact CG-CG 3.58Å; W784-M946 HydrophobicContact CZ3-CE 4.42Å
785	I	91.5	Very high	84.2	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-67	-35	-177.3	-167	60.7	0	0	0	111.3	F781 D782 K788 L789 D847 Y852 I871	F781-I785 PolarHBondContact O-N 3.23Å; D782-I785 WeakPolarHBondContact O-CG2 3.06Å; D782-I785 PolarHBondContact O-N 3Å; I785-K788 PolarHBondContact O-N 2.79Å; I785-L789 WeakPolarHBondContact O-CB 3.05Å; I785-L789 PolarHBondContact O-N 3.15Å; I785-D847 HydrophobicContact CD1-CB 4.02Å; I785-Y852 HydrophobicContact CB-CD2 3.63Å; I785-Y852 HydrophobicContact CB-CE2 3.96Å; I785-Y852 HydrophobicContact CB-CG 3.99Å; I785-Y852 HydrophobicContact CD1-CG 4.43Å; I785-Y852 HydrophobicContact CG1-CD1 4.17Å; I785-Y852 HydrophobicContact CG1-CD2 4.09Å; I785-Y852 HydrophobicContact CG1-CG 3.9Å; I785-Y852 HydrophobicContact CG2-CD1 4.33Å; I785-Y852 HydrophobicContact CG2-CD2 3.53Å; I785-Y852 HydrophobicContact CG2-CE1 4.13Å; I785-Y852 HydrophobicContact CG2-CE2 3.29Å; I785-Y852 HydrophobicContact CG2-CG 4.09Å; I785-I871 HydrophobicContact CG2-CG2 4.43Å
786	I	91.6	Very high	85	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.5	-44.6	176.2	-64	165.3	0	0	0	109.6	W765 V769 D782 W784 K788 L789 C790 I871 F927 L930	W765-I786 HydrophobicContact CH2-CG1 4.14Å; W765-I786 HydrophobicContact CZ3-CD1 4.13Å; W765-I786 HydrophobicContact CZ3-CG1 3.83Å; W765-I786 HydrophobicContact CZ3-CG2 4.38Å; V769-I786 HydrophobicContact CG1-CD1 3.63Å; D782-I786 WeakPolarHBondContact O-CB 3.34Å; D782-I786 VanDerWaalsContact O-CD1 3.3Å; D782-I786 WeakPolarHBondContact O-CD1 3.43Å; D782-I786 WeakPolarHBondContact O-CG1 3.46Å; D782-I786 PolarHBondContact O-N 3.46Å; W784-I786 VanDerWaalsContact C-N 3.29Å; W784-I786 PolarHBondContact O-N 3.22Å; I786-K788 PolarHBondContact O-N 3.07Å; I786-L789 PolarHBondContact O-N 3.49Å; I786-C790 WeakPolarHBondContact O-CB 3.44Å; I786-C790 PolarHBondContact O-N 2.91Å; I786-I871 HydrophobicContact CD1-CG2 4.22Å; I786-I871 HydrophobicContact CG1-CG2 4.19Å; I786-F927 HydrophobicContact CG2-CD1 3.44Å; I786-F927 VanDerWaalsContact CG2-CD1 3.44Å; I786-F927 HydrophobicContact CG2-CE1 3.92Å; I786-F927 HydrophobicContact CG2-CG 4.39Å; I786-L930 HydrophobicContact CB-CD2 4.33Å; I786-L930 HydrophobicContact CG2-CD2 3.91Å
787	H	87	Confident	86	Confident	3 Å²	3	17.7 Å²	17.7	1%	0.014	8%	0.079	C	C	.	.	H	α-helix	trans	-61.8	-42.7	175.1	179	68.9	0	0	0	112.1	I783 W784 L789 C790 R791 L930 Y931 L939	I783-H787 VanDerWaalsContact O-CB 3.3Å; I783-H787 WeakPolarHBondContact O-CB 3.16Å; I783-H787 PolarHBondContact O-N 2.97Å; W784-H787 PolarHBondContact O-N 3.33Å; H787-L789 VanDerWaalsContact C-N 3.35Å; H787-L789 PolarHBondContact O-N 3.43Å; H787-C790 PolarHBondContact O-N 2.94Å; H787-R791 WeakPolarHBondContact NE2-CD 3.24Å; H787-R791 WeakPolarHBondContact O-CG 3.33Å; H787-R791 PolarHBondContact O-N 3.48Å; H787-L930 HydrophobicContact CB-CD2 4.3Å; H787-Y931 PolarHBondContact ND1-OH 3.02Å; H787-L939 HydrophobicContact CB-CD2 4.16Å
788	K	90.3	Very high	86.8	Confident	36 Å²	36	13.2 Å²	13.2	16%	0.157	6%	0.06	C	C	.	.	H	α-helix	trans	-59.4	-43.3	173.7	-75.4	-66	-168.7	-168.7	0	112.6	W784 I785 I786 R791 L792 Q943	W784-K788 HydrophobicContact CD2-CG 4.34Å; W784-K788 HydrophobicContact CZ2-CG 4.1Å; W784-K788 WeakPolarHBondContact O-CG 3.21Å; W784-K788 PolarHBondContact O-N 2.79Å; I785-K788 PolarHBondContact O-N 2.79Å; I786-K788 PolarHBondContact O-N 3.07Å; K788-R791 PolarHBondContact O-N 3.32Å; K788-L792 PolarHBondContact O-N 3.09Å; K788-Q943 VanDerWaalsContact NZ-CD 3.26Å
789	L	93.4	Very high	87.4	Confident	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-65.7	-42.5	177.3	178.6	58.6	0	0	0	111.7	W765 I785 I786 H787 R791 L792 I793 W843 C875 T878 I882 F927	W765-L789 HydrophobicContact CH2-CD2 4.09Å; W765-L789 HydrophobicContact CZ2-CD2 3.61Å; I785-L789 WeakPolarHBondContact O-CB 3.05Å; I785-L789 PolarHBondContact O-N 3.15Å; I786-L789 PolarHBondContact O-N 3.49Å; H787-L789 VanDerWaalsContact C-N 3.35Å; H787-L789 PolarHBondContact O-N 3.43Å; L789-R791 VanDerWaalsContact C-N 3.33Å; L789-R791 PolarHBondContact O-N 3.45Å; L789-L792 WeakPolarHBondContact O-CB 3.17Å; L789-L792 PolarHBondContact O-N 3.19Å; L789-I793 HydrophobicContact CD1-CD1 4.36Å; L789-I793 HydrophobicContact CD1-CG1 4.47Å; L789-I793 HydrophobicContact CG-CD1 4.17Å; L789-I793 WeakPolarHBondContact O-CG1 3.37Å; L789-I793 PolarHBondContact O-N 2.78Å; L789-W843 HydrophobicContact CB-CZ2 4.16Å; L789-W843 HydrophobicContact CD1-CH2 4.12Å; L789-W843 HydrophobicContact CD1-CZ2 3.71Å; L789-W843 HydrophobicContact CD2-CZ2 4.45Å; L789-W843 HydrophobicContact CG-CZ2 4.32Å; L789-C875 HydrophobicContact CD2-CB 4.47Å; L789-T878 HydrophobicContact CD1-CG2 3.96Å; L789-T878 HydrophobicContact CD2-CG2 3.93Å; L789-T878 HydrophobicContact CG-CG2 4.21Å; L789-I882 HydrophobicContact CD1-CD1 3.75Å; L789-F927 HydrophobicContact CD2-CE1 4.44Å; L789-F927 HydrophobicContact CD2-CZ 4.21Å; L789-F927 HydrophobicContact CG-CZ 4.37Å
790	C	89.8	Confident	88.1	Confident	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-59.3	-43.4	174.2	179.2	0	0	0	0	111.5	I786 H787 L792 I793 H794 F927 Y931	I786-C790 WeakPolarHBondContact O-CB 3.44Å; I786-C790 PolarHBondContact O-N 2.91Å; H787-C790 PolarHBondContact O-N 2.94Å; C790-L792 PolarHBondContact O-N 2.8Å; C790-I793 PolarHBondContact O-N 2.76Å; C790-H794 PolarHBondContact O-N 3.3Å; C790-H794 VanDerWaalsContact O-N 3.09Å; C790-F927 HydrophobicContact CB-CB 4.41Å; C790-F927 HydrophobicContact CB-CD2 4.09Å; C790-F927 HydrophobicContact CB-CG 4.19Å; C790-Y931 PolarHBondContact SG-OH 3.22Å
791	R	86.8	Confident	88.8	Confident	87 Å²	87	11.2 Å²	11.2	33%	0.328	5%	0.051	S	C	.	.	H	α-helix	trans	-63.1	-39.5	174.2	-71.6	-177.6	67.4	154.6	5.1	113.3	H787 K788 L789 L795 F824	H787-R791 WeakPolarHBondContact NE2-CD 3.24Å; H787-R791 WeakPolarHBondContact O-CG 3.33Å; H787-R791 PolarHBondContact O-N 3.48Å; K788-R791 PolarHBondContact O-N 3.32Å; L789-R791 VanDerWaalsContact C-N 3.33Å; L789-R791 PolarHBondContact O-N 3.45Å; R791-L795 WeakPolarHBondContact O-CB 3.36Å; R791-L795 PolarHBondContact O-N 3.37Å; R791-F824 HydrophobicContact CB-CE1 4.49Å; R791-F824 HydrophobicContact CG-CE1 4.11Å
792	L	92.1	Very high	89.4	Confident	8 Å²	8	10.8 Å²	10.8	4%	0.042	5%	0.05	C	C	.	.	H	α-helix	trans	-60.9	-49.1	173.9	176.7	63.6	0	0	0	110.6	K788 L789 C790 H794 L795 I796 M840 W843 I882	K788-L792 PolarHBondContact O-N 3.09Å; L789-L792 WeakPolarHBondContact O-CB 3.17Å; L789-L792 PolarHBondContact O-N 3.19Å; C790-L792 PolarHBondContact O-N 2.8Å; L792-H794 VanDerWaalsContact C-N 3.31Å; L792-H794 PolarHBondContact O-N 3.36Å; L792-L795 WeakPolarHBondContact O-CB 3.27Å; L792-L795 PolarHBondContact O-N 2.9Å; L792-L795 VanDerWaalsContact O-N 3.12Å; L792-I796 HydrophobicContact CD1-CD1 3.99Å; L792-I796 HydrophobicContact CD1-CG1 4.02Å; L792-I796 HydrophobicContact CG-CG1 4.32Å; L792-I796 WeakPolarHBondContact O-CG1 3.43Å; L792-I796 PolarHBondContact O-N 3.32Å; L792-M840 HydrophobicContact CD1-CG 4.17Å; L792-W843 HydrophobicContact CD2-CB 3.82Å; L792-W843 HydrophobicContact CD2-CD2 3.7Å; L792-W843 HydrophobicContact CD2-CE3 3.86Å; L792-W843 HydrophobicContact CD2-CG 3.67Å; L792-I882 HydrophobicContact CD2-CD1 3.92Å; L792-I882 HydrophobicContact CD2-CG2 4.44Å; L792-I882 HydrophobicContact CG-CD1 4.25Å
793	I	91.8	Very high	89.2	Confident	1 Å²	1	14.4 Å²	14.4	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-57	-46.2	-179.3	-68.7	164.5	0	0	0	111.2	L789 C790 L795 I796 N797 T878 I882 P922 F927	L789-I793 HydrophobicContact CD1-CD1 4.36Å; L789-I793 HydrophobicContact CD1-CG1 4.47Å; L789-I793 HydrophobicContact CG-CD1 4.17Å; L789-I793 WeakPolarHBondContact O-CG1 3.37Å; L789-I793 PolarHBondContact O-N 2.78Å; C790-I793 PolarHBondContact O-N 2.76Å; I793-L795 PolarHBondContact O-N 2.9Å; I793-I796 PolarHBondContact O-N 2.89Å; I793-N797 PolarHBondContact O-N 3.15Å; I793-T878 HydrophobicContact CD1-CG2 4Å; I793-I882 HydrophobicContact CD1-CD1 4.48Å; I793-I882 HydrophobicContact CG1-CD1 3.66Å; I793-I882 HydrophobicContact CG1-CG1 4.36Å; I793-P922 HydrophobicContact CD1-CB 3.68Å; I793-P922 HydrophobicContact CG1-CB 3.88Å; I793-P922 HydrophobicContact CG2-CB 4.35Å; I793-P922 WeakPolarHBondContact CG2-O 3.36Å; I793-F927 HydrophobicContact CD1-CD2 4.45Å; I793-F927 HydrophobicContact CD1-CE2 3.4Å; I793-F927 HydrophobicContact CD1-CZ 3.83Å
794	H	87.4	Confident	89.2	Confident	14 Å²	14	21.5 Å²	21.5	7%	0.065	10%	0.104	C	C	.	.	H	α-helix	trans	-59.6	-47.2	176.1	-176.8	82.9	0	0	0	111.9	C790 L792 I796 N797 S798 F824	C790-H794 PolarHBondContact O-N 3.3Å; C790-H794 VanDerWaalsContact O-N 3.09Å; L792-H794 VanDerWaalsContact C-N 3.31Å; L792-H794 PolarHBondContact O-N 3.36Å; H794-I796 VanDerWaalsContact C-N 3.29Å; H794-I796 PolarHBondContact O-N 3.39Å; H794-N797 PolarHBondContact O-N 3.2Å; H794-S798 WeakPolarHBondContact O-CB 3.35Å; H794-S798 PolarHBondContact O-N 3.15Å; H794-S798 PolarHBondContact O-OG 3.41Å; H794-F824 HydrophobicContact CB-CD1 3.89Å; H794-F824 HydrophobicContact CB-CE1 3.42Å; H794-F824 VanDerWaalsContact CB-CE1 3.42Å; H794-F824 HydrophobicContact CB-CE2 4.24Å; H794-F824 HydrophobicContact CB-CG 4.47Å; H794-F824 HydrophobicContact CB-CZ 3.61Å; H794-F824 AromaticContact CD2-CD1 3.15Å; H794-F824 WeakPolarHBondContact CD2-CD1 3.46Å; H794-F824 AromaticContact CD2-CD2 3.65Å; H794-F824 AromaticContact CD2-CE1 3.66Å; H794-F824 AromaticContact CD2-CG 3.13Å; H794-F824 WeakPolarHBondContact CD2-CG 3.46Å; H794-F824 AromaticContact CE1-CD2 3.55Å; H794-F824 AromaticContact CE1-CE2 3.99Å; H794-F824 AromaticContact CE1-CG 3.79Å; H794-F824 AromaticContact CG-CD1 3.52Å; H794-F824 AromaticContact CG-CD2 3.75Å; H794-F824 AromaticContact CG-CE1 3.5Å; H794-F824 VanDerWaalsContact CG-CE1 3.5Å; H794-F824 AromaticContact CG-CE2 3.73Å; H794-F824 AromaticContact CG-CG 3.64Å; H794-F824 AromaticContact CG-CZ 3.6Å; H794-F824 AromaticContact ND1-CD2 3.71Å; H794-F824 AromaticContact ND1-CE2 3.68Å; H794-F824 AromaticContact ND1-CZ 3.98Å; H794-F824 VanDerWaalsContact NE2-CB 3.3Å; H794-F824 WeakPolarHBondContact NE2-CB 3.47Å; H794-F824 AromaticContact NE2-CD1 3.82Å; H794-F824 AromaticContact NE2-CD2 3.52Å; H794-F824 AromaticContact NE2-CG 3.25Å; H794-F824 WeakPolarHBondContact NE2-CG 3.27Å
795	L	89.6	Confident	89.2	Confident	44 Å²	44	22.8 Å²	22.8	23%	0.23	11%	0.111	C	C	.	.	H	α-helix	trans	-57	-40.1	177.1	173	65.3	0	0	0	112.5	R791 L792 I793 S798 S799 L829 H835	R791-L795 WeakPolarHBondContact O-CB 3.36Å; R791-L795 PolarHBondContact O-N 3.37Å; L792-L795 WeakPolarHBondContact O-CB 3.27Å; L792-L795 PolarHBondContact O-N 2.9Å; L792-L795 VanDerWaalsContact O-N 3.12Å; I793-L795 PolarHBondContact O-N 2.9Å; L795-S798 PolarHBondContact O-OG 3.24Å; L795-S798 VanDerWaalsContact O-OG 3.13Å; L795-S799 WeakPolarHBondContact O-CB 3.36Å; L795-S799 PolarHBondContact O-N 3.43Å; L795-S799 VanDerWaalsContact O-N 3.07Å; L795-S799 PolarHBondContact O-OG 3.26Å; L795-L829 HydrophobicContact CD1-CD1 3.62Å; L795-H835 HydrophobicContact CD1-CB 4.46Å
796	I	91.1	Very high	88.7	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-71.3	-47	-179.5	-58.4	-46	0	0	0	111.1	L792 I793 H794 S798 S799 W800 G836 M840 I882 Y921	L792-I796 HydrophobicContact CD1-CD1 3.99Å; L792-I796 HydrophobicContact CD1-CG1 4.02Å; L792-I796 HydrophobicContact CG-CG1 4.32Å; L792-I796 WeakPolarHBondContact O-CG1 3.43Å; L792-I796 PolarHBondContact O-N 3.32Å; I793-I796 PolarHBondContact O-N 2.89Å; H794-I796 VanDerWaalsContact C-N 3.29Å; H794-I796 PolarHBondContact O-N 3.39Å; I796-S798 VanDerWaalsContact C-N 3.32Å; I796-S798 PolarHBondContact O-N 3.03Å; I796-S799 PolarHBondContact O-N 2.95Å; I796-S799 PolarHBondContact O-OG 3.4Å; I796-W800 HydrophobicContact CG2-CD2 3.87Å; I796-W800 HydrophobicContact CG2-CE3 3.87Å; I796-W800 HydrophobicContact CG2-CG 4.22Å; I796-W800 HydrophobicContact CG2-CZ3 4.32Å; I796-W800 WeakPolarHBondContact O-CB 3.36Å; I796-W800 PolarHBondContact O-N 3.32Å; I796-G836 WeakPolarHBondContact CD1-O 3.14Å; I796-M840 HydrophobicContact CB-CE 4.4Å; I796-M840 HydrophobicContact CD1-CE 3.49Å; I796-M840 VanDerWaalsContact CD1-CE 3.49Å; I796-M840 HydrophobicContact CD1-CG 3.86Å; I796-M840 HydrophobicContact CD1-SD 4.49Å; I796-M840 HydrophobicContact CG1-CE 3.67Å; I796-M840 HydrophobicContact CG1-CG 4.35Å; I796-M840 HydrophobicContact CG2-CE 3.78Å; I796-I882 HydrophobicContact CG1-CG2 3.97Å; I796-Y921 HydrophobicContact CG2-CE1 4.44Å; I796-Y921 WeakPolarHBondContact CG2-OH 3.32Å
797	N	89.4	Confident	87.8	Confident	2 Å²	2	27.5 Å²	27.5	1%	0.011	14%	0.136	C	C	.	.	H	α-helix	trans	-62.2	-43.1	179.6	-67.5	-8.3	0	0	0	110.7	H132 I793 H794 S799 T801 H808 Y921	H132-N797 PolarHBondContact NE2-OD1 2.83Å; I793-N797 PolarHBondContact O-N 3.15Å; H794-N797 PolarHBondContact O-N 3.2Å; N797-S799 VanDerWaalsContact C-N 3.32Å; N797-S799 PolarHBondContact O-N 2.84Å; N797-T801 PolarHBondContact O-N 3.24Å; N797-T801 PolarHBondContact O-OG1 2.93Å; N797-H808 PolarHBondContact O-CE1 2.99Å; N797-Y921 WeakPolarHBondContact OD1-CE1 3.41Å
798	S	88	Confident	86.8	Confident	20 Å²	20	28.4 Å²	28.4	14%	0.14	14%	0.14	C	C	.	.	H	α-helix	trans	-67	-30.6	177.5	74.2	0	0	0	0	113.6	H794 L795 I796	H794-S798 WeakPolarHBondContact O-CB 3.35Å; H794-S798 PolarHBondContact O-N 3.15Å; H794-S798 PolarHBondContact O-OG 3.41Å; L795-S798 PolarHBondContact O-OG 3.24Å; L795-S798 VanDerWaalsContact O-OG 3.13Å; I796-S798 VanDerWaalsContact C-N 3.32Å; I796-S798 PolarHBondContact O-N 3.03Å
799	S	90.2	Very high	85.2	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-92.9	-23.9	-174.6	62.5	0	0	0	0	115.1	L795 I796 N797 L829 W831 S832	L795-S799 WeakPolarHBondContact O-CB 3.36Å; L795-S799 PolarHBondContact O-N 3.43Å; L795-S799 VanDerWaalsContact O-N 3.07Å; L795-S799 PolarHBondContact O-OG 3.26Å; I796-S799 PolarHBondContact O-N 2.95Å; I796-S799 PolarHBondContact O-OG 3.4Å; N797-S799 VanDerWaalsContact C-N 3.32Å; N797-S799 PolarHBondContact O-N 2.84Å; S799-L829 VanDerWaalsContact CA-O 3.24Å; S799-L829 WeakPolarHBondContact CA-O 3.36Å; S799-W831 CarbonylContact O-C 3.55Å; S799-W831 VanDerWaalsContact O-C 3.26Å; S799-W831 WeakPolarHBondContact O-CA 3.19Å; S799-W831 PolarHBondContact O-N 2.66Å; S799-S832 PolarHBondContact O-N 3.47Å
800	W	91.3	Very high	83.3	Confident	1 Å²	1	32.9 Å²	32.9	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-112.4	-7.4	-170.3	-67.1	13.6	0	0	0	113.8	C128 I796 W831 F833 V837 M840 P885 I886	C128-W800 VanDerWaalsContact SG-CE3 3.59Å; I796-W800 HydrophobicContact CG2-CD2 3.87Å; I796-W800 HydrophobicContact CG2-CE3 3.87Å; I796-W800 HydrophobicContact CG2-CG 4.22Å; I796-W800 HydrophobicContact CG2-CZ3 4.32Å; I796-W800 WeakPolarHBondContact O-CB 3.36Å; I796-W800 PolarHBondContact O-N 3.32Å; W800-W831 VanDerWaalsContact O-CZ3 3.23Å; W800-W831 WeakPolarHBondContact O-CZ3 3.39Å; W800-F833 HydrophobicContact CB-CD1 4.16Å; W800-F833 HydrophobicContact CB-CE1 3.81Å; W800-F833 AromaticContact CD1-CD1 3.53Å; W800-F833 AromaticContact CD2-CD1 3.77Å; W800-F833 HydrophobicContact CD2-CD1 3.77Å; W800-F833 HydrophobicContact CD2-CE1 4.15Å; W800-F833 AromaticContact CE2-CD1 3.88Å; W800-F833 AromaticContact CG-CD1 3.57Å; W800-F833 HydrophobicContact CG-CD1 3.57Å; W800-F833 AromaticContact CG-CE1 3.75Å; W800-F833 HydrophobicContact CG-CE1 3.75Å; W800-F833 VanDerWaalsContact NE1-CA 3.35Å; W800-F833 AromaticContact NE1-CD1 3.76Å; W800-F833 PolarHBondContact NE1-O 3.4Å; W800-F833 VanDerWaalsContact NE1-O 3.13Å; W800-V837 HydrophobicContact CZ2-CG2 3.82Å; W800-M840 HydrophobicContact CE3-CE 4.32Å; W800-M840 HydrophobicContact CH2-CE 3.03Å; W800-M840 HydrophobicContact CH2-SD 3.85Å; W800-M840 HydrophobicContact CZ2-CE 3.43Å; W800-M840 VanDerWaalsContact CZ2-CE 3.43Å; W800-M840 HydrophobicContact CZ2-SD 4.21Å; W800-M840 HydrophobicContact CZ3-CE 3.53Å; W800-P885 HydrophobicContact CZ3-CB 4.05Å; W800-P885 HydrophobicContact CZ3-CG 4.38Å; W800-I886 HydrophobicContact CH2-CB 4.29Å; W800-I886 HydrophobicContact CH2-CD1 4.16Å; W800-I886 HydrophobicContact CH2-CG1 4.16Å; W800-I886 HydrophobicContact CH2-CG2 3.19Å; W800-I886 HydrophobicContact CZ2-CG2 4.07Å; W800-I886 HydrophobicContact CZ3-CG2 3.61Å
801	T	89.3	Confident	81.3	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.006	19%	0.186	C	C	.	.	S	Bend	trans	-137.7	157.4	-175.2	63	0	0	0	0	111.8	C128 Y129 N797 I806 H808	C128-T801 HydrophobicContact CB-CG2 4.09Å; Y129-T801 HydrophobicContact CD2-CG2 4.35Å; Y129-T801 HydrophobicContact CE2-CG2 4.06Å; N797-T801 PolarHBondContact O-N 3.24Å; N797-T801 PolarHBondContact O-OG1 2.93Å; T801-I806 HydrophobicContact CG2-CD1 3.55Å; T801-H808 PolarHBondContact OG1-CE1 3.16Å
802	D	89.3	Confident	79.5	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.199	C	C	.	.			trans	-81.7	127.7	177.3	-161.8	-47.4	0	0	0	110.2	Y129 R619 K804 D805 I806 K830 W831	Y129-D802 PolarHBondContact OH-N 3.13Å; R619-D802 IonicContact NH2-OD2 3.15Å; R619-D802 PolarHBondContact NH2-OD2 3.2Å; R619-D802 VanDerWaalsContact NH2-OD2 3.13Å; D802-K804 PolarHBondContact O-N 3.48Å; D802-K804 VanDerWaalsContact O-N 3.08Å; D802-K804 VanDerWaalsContact OD1-CB 3.28Å; D802-K804 WeakPolarHBondContact OD1-CB 3.46Å; D802-K804 VanDerWaalsContact OD1-CG 3.28Å; D802-K804 WeakPolarHBondContact OD1-CG 3.49Å; D802-K804 PolarHBondContact OD1-N 2.96Å; D802-D805 WeakPolarHBondContact CB-OD2 3.46Å; D802-D805 PolarHBondContact O-N 3.07Å; D802-I806 PolarHBondContact O-N 3.38Å; D802-I806 VanDerWaalsContact O-N 3.13Å; D802-K830 HydrophobicContact CB-CD 4.3Å; D802-K830 IonicContact OD2-NZ 3.18Å; D802-K830 PolarHBondContact OD2-NZ 2.86Å; D802-W831 HydrophobicContact CB-CH2 4.36Å; D802-W831 HydrophobicContact CB-CZ2 4.03Å
803	P	83.7	Confident	77.5	Confident	77 Å²	77	40.1 Å²	40.1	50%	0.5	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-19.2	174.8	23.1	-33.5	0	0	0	114	D805 H808	P803-D805 VanDerWaalsContact C-N 3.32Å; P803-H808 VanDerWaalsContact CA-NE2 3.26Å; P803-H808 WeakPolarHBondContact CA-NE2 3.45Å; P803-H808 WeakPolarHBondContact CB-NE2 3.42Å
804	K	84.4	Confident	75.2	Confident	152 Å²	152	47 Å²	47	66%	0.661	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-27.9	173	-63.2	169.8	-173.4	168.5	0	112.7	E502 D802	E502-K804 IonicContact OE2-NZ 2.62Å; E502-K804 PolarHBondContact OE2-NZ 3.48Å; D802-K804 PolarHBondContact O-N 3.48Å; D802-K804 VanDerWaalsContact O-N 3.08Å; D802-K804 VanDerWaalsContact OD1-CB 3.28Å; D802-K804 WeakPolarHBondContact OD1-CB 3.46Å; D802-K804 VanDerWaalsContact OD1-CG 3.28Å; D802-K804 WeakPolarHBondContact OD1-CG 3.49Å; D802-K804 PolarHBondContact OD1-N 2.96Å
805	D	85.4	Confident	73.1	Confident	31 Å²	31	48 Å²	48	17%	0.166	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-36.7	-174	-58.9	-42.4	0	0	0	112.8	Y129 K134 R619 D802 P803	Y129-D805 HydrophobicContact CE1-CB 3.52Å; Y129-D805 WeakPolarHBondContact CE1-OD2 3.37Å; Y129-D805 PolarHBondContact OH-OD2 3.2Å; K134-D805 WeakPolarHBondContact CE-O 3.49Å; K134-D805 PolarHBondContact NZ-O 3.11Å; R619-D805 IonicContact CZ-OD1 3.71Å; R619-D805 IonicContact CZ-OD2 2.8Å; R619-D805 IonicContact NE-OD1 3.15Å; R619-D805 PolarHBondContact NE-OD1 3.49Å; R619-D805 IonicContact NE-OD2 3.75Å; R619-D805 PolarHBondContact NE-OD2 3Å; R619-D805 IonicContact NH2-OD1 3.54Å; R619-D805 PolarHBondContact NH2-OD1 2.89Å; R619-D805 IonicContact NH2-OD2 3.06Å; R619-D805 PolarHBondContact NH2-OD2 2.91Å; D802-D805 WeakPolarHBondContact CB-OD2 3.46Å; D802-D805 PolarHBondContact O-N 3.07Å; P803-D805 VanDerWaalsContact C-N 3.32Å
806	I	80.8	Confident	70.8	Confident	9 Å²	9	49.4 Å²	49.4	5%	0.046	27%	0.269	C	S	.	.	S	Bend	trans	-123.5	123.4	-174.7	-70.4	168	0	0	0	108	Y129 H132 T801 D802 H808	Y129-I806 HydrophobicContact CD1-CD1 4.08Å; Y129-I806 HydrophobicContact CD2-CD1 4.45Å; Y129-I806 HydrophobicContact CE1-CD1 4.24Å; Y129-I806 HydrophobicContact CG-CD1 4.26Å; H132-I806 HydrophobicContact CB-CD1 3.73Å; H132-I806 HydrophobicContact CB-CG1 4.12Å; H132-I806 VanDerWaalsContact CD2-CG2 3.48Å; H132-I806 WeakPolarHBondContact CD2-CG2 3.26Å; T801-I806 HydrophobicContact CG2-CD1 3.55Å; D802-I806 PolarHBondContact O-N 3.38Å; D802-I806 VanDerWaalsContact O-N 3.13Å; I806-H808 PolarHBondContact O-CE1 2.58Å; I806-H808 PolarHBondContact O-N 3.28Å; I806-H808 VanDerWaalsContact O-N 3.14Å; I806-H808 PolarHBondContact O-ND1 2.76Å
807	D	72.6	Confident	68.5	Low	91 Å²	91	55.7 Å²	55.7	49%	0.487	30%	0.303	S	S	.	.			trans	-69	106.6	171.3	174.9	26.2	0	0	0	109	G809 K925	D807-G809 PolarHBondContact O-N 3Å; D807-G809 VanDerWaalsContact O-N 3.14Å; D807-G809 VanDerWaalsContact OD1-CA 3.3Å; D807-G809 WeakPolarHBondContact OD1-CA 3.24Å; D807-G809 PolarHBondContact OD1-N 2.9Å; D807-K925 IonicContact OD2-NZ 3.32Å; D807-K925 PolarHBondContact OD2-NZ 2.86Å
808	H	65.4	Low	66.1	Low	21 Å²	21	60.9 Å²	60.9	10%	0.097	33%	0.327	C	S	.	.			trans	-68.9	-3.4	174.7	-57.7	-29.3	0	0	0	112.7	N797 T801 P803 I806	N797-H808 PolarHBondContact O-CE1 2.99Å; T801-H808 PolarHBondContact OG1-CE1 3.16Å; P803-H808 VanDerWaalsContact CA-NE2 3.26Å; P803-H808 WeakPolarHBondContact CA-NE2 3.45Å; P803-H808 WeakPolarHBondContact CB-NE2 3.42Å; I806-H808 PolarHBondContact O-CE1 2.58Å; I806-H808 PolarHBondContact O-N 3.28Å; I806-H808 VanDerWaalsContact O-N 3.14Å; I806-H808 PolarHBondContact O-ND1 2.76Å
809	G	58.3	Low	63.8	Low	18 Å²	18	69.8 Å²	69.8	19%	0.186	36%	0.363	C	S	.	.			trans	84.1	162.7	-160.4	0	0	0	0	0	110.2	D807 N811	D807-G809 PolarHBondContact O-N 3Å; D807-G809 VanDerWaalsContact O-N 3.14Å; D807-G809 VanDerWaalsContact OD1-CA 3.3Å; D807-G809 WeakPolarHBondContact OD1-CA 3.24Å; D807-G809 PolarHBondContact OD1-N 2.9Å; G809-N811 PolarHBondContact O-N 2.69Å
810	E	52.2	Low	61.4	Low	112 Å²	112	71 Å²	71	52%	0.523	37%	0.369	S	S	.	.			trans	-54.4	140.1	163.4	-74.6	-173.3	-165.1	0	0	108.3	K812 Q814	E810-K812 HydrophobicContact CB-CB 4.46Å; E810-K812 WeakPolarHBondContact CB-O 3.46Å; E810-K812 PolarHBondContact O-N 2.76Å; E810-Q814 PolarHBondContact OE1-NE2 3.1Å; E810-Q814 WeakPolarHBondContact OE2-CG 3.48Å; E810-Q814 PolarHBondContact OE2-NE2 2.83Å
811	N	49.1	Very low	59	Low	77 Å²	77	79 Å²	79	41%	0.412	40%	0.399	S	S	.	.	S	Bend	trans	-56.2	-3.2	164.9	-72.8	0.5	0	0	0	112.1	G809	G809-N811 PolarHBondContact O-N 2.69Å
812	K	48.6	Very low	57.1	Low	136 Å²	136	79.6 Å²	79.6	59%	0.591	40%	0.402	S	S	*	.	S	Bend	trans	-132.1	111.9	-177.8	-59.6	176.5	-177	175.8	0	108.1	E810 Q814	E810-K812 HydrophobicContact CB-CB 4.46Å; E810-K812 WeakPolarHBondContact CB-O 3.46Å; E810-K812 PolarHBondContact O-N 2.76Å; K812-Q814 PolarHBondContact O-N 3.09Å; K812-Q814 VanDerWaalsContact O-N 3.13Å
813	I	50.3	Low	55.2	Low	35 Å²	35	83.6 Å²	83.6	18%	0.179	42%	0.424	C	S	.	.			trans	-69.8	111	161.1	-61.4	172.4	0	0	0	105.7	T815 E928 Y931	I813-T815 PolarHBondContact O-N 2.89Å; I813-E928 HydrophobicContact CG2-CG 4.3Å; I813-Y931 HydrophobicContact CD1-CD1 4.48Å; I813-Y931 HydrophobicContact CD1-CD2 3.45Å; I813-Y931 VanDerWaalsContact CD1-CD2 3.45Å; I813-Y931 HydrophobicContact CD1-CE1 4.4Å; I813-Y931 HydrophobicContact CD1-CE2 3.37Å; I813-Y931 HydrophobicContact CD1-CG 4.04Å; I813-Y931 HydrophobicContact CG2-CD2 4.39Å; I813-Y931 HydrophobicContact CG2-CG 4.35Å
814	Q	43.8	Very low	53.9	Low	146 Å²	146	81 Å²	81	68%	0.682	40%	0.404	S	S	*	.			trans	-63.6	103.1	176.2	-70.4	-177.6	18.1	0	0	109.3	E810 K812	E810-Q814 PolarHBondContact OE1-NE2 3.1Å; E810-Q814 WeakPolarHBondContact OE2-CG 3.48Å; E810-Q814 PolarHBondContact OE2-NE2 2.83Å; K812-Q814 PolarHBondContact O-N 3.09Å; K812-Q814 VanDerWaalsContact O-N 3.13Å
815	T	43.5	Very low	52.5	Low	35 Å²	35	79.7 Å²	79.7	22%	0.215	41%	0.405	C	S	.	.			trans	-83	116.7	170.9	48.7	0	0	0	0	107.9	I813 N817 F820 Y931	I813-T815 PolarHBondContact O-N 2.89Å; T815-N817 PolarHBondContact O-N 2.72Å; T815-F820 HydrophobicContact CG2-CB 4.22Å; T815-F820 PolarHBondContact OG1-O 2.79Å; T815-Y931 VanDerWaalsContact CG2-O 3.3Å; T815-Y931 WeakPolarHBondContact CG2-O 3.32Å
816	G	41.3	Very low	50.8	Low	72 Å²	72	85.3 Å²	85.3	74%	0.742	44%	0.435	S	S	*	.	S	Bend	trans	-61.6	-8.2	-170.7	0	0	0	0	0	115.7
817	N	42.6	Very low	49.9	Very low	133 Å²	133	91.3 Å²	91.3	71%	0.711	46%	0.463	S	S	*	.	S	Bend	trans	-177.2	149.3	159.9	-87.5	-39.5	0	0	0	105.5	T815	T815-N817 PolarHBondContact O-N 2.72Å
818	H	37.3	Very low	49.8	Very low	111 Å²	111	93.4 Å²	93.4	51%	0.514	47%	0.474	S	S	.	.	S	Bend	trans	90.5	107.9	174.1	-46.9	-54.5	0	0	0	117.8	F820 D934	H818-F820 VanDerWaalsContact C-N 3.29Å; H818-F820 WeakPolarHBondContact O-CD2 3.44Å; H818-F820 PolarHBondContact O-N 2.75Å; H818-D934 IonicContact CD2-OD1 3.57Å; H818-D934 PolarHBondContact CD2-OD1 3.29Å; H818-D934 IonicContact CD2-OD2 3.26Å; H818-D934 IonicContact CG-OD1 2.89Å
819	K	40.3	Very low	50.6	Low	208 Å²	208	93.5 Å²	93.5	90%	0.904	48%	0.475	S	S	*	.	S	Bend	trans	43.7	1.2	137.4	-75.7	-175.8	176.6	179.4	0	123.2
820	F	41	Very low	52	Low	26 Å²	26	93.2 Å²	93.2	11%	0.114	47%	0.469	C	S	.	.			trans	-108	107.2	-179.9	-66.4	-95	0	0	0	110.7	T815 H818 I937 L939	T815-F820 HydrophobicContact CG2-CB 4.22Å; T815-F820 PolarHBondContact OG1-O 2.79Å; H818-F820 VanDerWaalsContact C-N 3.29Å; H818-F820 WeakPolarHBondContact O-CD2 3.44Å; H818-F820 PolarHBondContact O-N 2.75Å; F820-I937 WeakPolarHBondContact CE1-O 3.47Å; F820-I937 VanDerWaalsContact CZ-O 3.29Å; F820-I937 WeakPolarHBondContact CZ-O 3.3Å; F820-L939 HydrophobicContact CD1-CB 4.4Å; F820-L939 HydrophobicContact CD1-CD1 4.26Å; F820-L939 HydrophobicContact CD1-CG 4.08Å; F820-L939 HydrophobicContact CE1-CG 4.19Å
821	R	39.9	Very low	53.8	Low	168 Å²	168	87.9 Å²	87.9	63%	0.634	44%	0.444	S	S	*	.			trans	-120.4	111	177.1	178.9	173.1	161.9	-174.5	-16.9	107.6	D823	R821-D823 IonicContact CZ-OD1 2.67Å; R821-D823 VanDerWaalsContact CZ-OD1 3.32Å; R821-D823 IonicContact CZ-OD2 3.6Å; R821-D823 IonicContact NE-OD1 3.24Å; R821-D823 PolarHBondContact NE-OD1 3Å; R821-D823 IonicContact NE-OD2 3.67Å; R821-D823 PolarHBondContact NE-OD2 3.33Å; R821-D823 VanDerWaalsContact NH2-CG 3.29Å; R821-D823 IonicContact NH2-OD1 3.48Å; R821-D823 PolarHBondContact NH2-OD1 3.12Å; R821-D823 VanDerWaalsContact NH2-OD1 3.08Å; R821-D823 IonicContact NH2-OD2 3.35Å; R821-D823 PolarHBondContact NH2-OD2 3.06Å; R821-D823 PolarHBondContact O-N 2.87Å
822	V	48.6	Very low	55.9	Low	13 Å²	13	85.1 Å²	85.1	8%	0.079	43%	0.43	C	S	.	.			trans	-87.6	98.5	166.2	-175.8	0	0	0	0	106.3	F824 Y931	V822-F824 HydrophobicContact CB-CE2 4.34Å; V822-F824 HydrophobicContact CB-CZ 4.37Å; V822-F824 HydrophobicContact CG1-CD1 4.08Å; V822-F824 HydrophobicContact CG1-CD2 4.23Å; V822-F824 HydrophobicContact CG1-CE1 3.65Å; V822-F824 HydrophobicContact CG1-CE2 3.84Å; V822-F824 HydrophobicContact CG1-CG 4.36Å; V822-F824 HydrophobicContact CG1-CZ 3.54Å; V822-F824 PolarHBondContact O-N 3.16Å; V822-Y931 HydrophobicContact CG2-CD1 4.28Å; V822-Y931 HydrophobicContact CG2-CE1 3.45Å; V822-Y931 VanDerWaalsContact CG2-CE1 3.45Å
823	D	49.5	Very low	58	Low	85 Å²	85	78.7 Å²	78.7	46%	0.455	40%	0.402	S	S	.	.			trans	-77	107.3	164.7	-77.9	-26.4	0	0	0	107.7	R821	R821-D823 IonicContact CZ-OD1 2.67Å; R821-D823 VanDerWaalsContact CZ-OD1 3.32Å; R821-D823 IonicContact CZ-OD2 3.6Å; R821-D823 IonicContact NE-OD1 3.24Å; R821-D823 PolarHBondContact NE-OD1 3Å; R821-D823 IonicContact NE-OD2 3.67Å; R821-D823 PolarHBondContact NE-OD2 3.33Å; R821-D823 VanDerWaalsContact NH2-CG 3.29Å; R821-D823 IonicContact NH2-OD1 3.48Å; R821-D823 PolarHBondContact NH2-OD1 3.12Å; R821-D823 VanDerWaalsContact NH2-OD1 3.08Å; R821-D823 IonicContact NH2-OD2 3.35Å; R821-D823 PolarHBondContact NH2-OD2 3.06Å; R821-D823 PolarHBondContact O-N 2.87Å
824	F	57.1	Low	60.1	Low	21 Å²	21	78.3 Å²	78.3	9%	0.092	40%	0.4	C	S	.	.			trans	-73.6	136	158.4	-58.4	-73.2	0	0	0	107.4	R791 H794 V822 N826	R791-F824 HydrophobicContact CB-CE1 4.49Å; R791-F824 HydrophobicContact CG-CE1 4.11Å; H794-F824 HydrophobicContact CB-CD1 3.89Å; H794-F824 HydrophobicContact CB-CE1 3.42Å; H794-F824 VanDerWaalsContact CB-CE1 3.42Å; H794-F824 HydrophobicContact CB-CE2 4.24Å; H794-F824 HydrophobicContact CB-CG 4.47Å; H794-F824 HydrophobicContact CB-CZ 3.61Å; H794-F824 AromaticContact CD2-CD1 3.15Å; H794-F824 WeakPolarHBondContact CD2-CD1 3.46Å; H794-F824 AromaticContact CD2-CD2 3.65Å; H794-F824 AromaticContact CD2-CE1 3.66Å; H794-F824 AromaticContact CD2-CG 3.13Å; H794-F824 WeakPolarHBondContact CD2-CG 3.46Å; H794-F824 AromaticContact CE1-CD2 3.55Å; H794-F824 AromaticContact CE1-CE2 3.99Å; H794-F824 AromaticContact CE1-CG 3.79Å; H794-F824 AromaticContact CG-CD1 3.52Å; H794-F824 AromaticContact CG-CD2 3.75Å; H794-F824 AromaticContact CG-CE1 3.5Å; H794-F824 VanDerWaalsContact CG-CE1 3.5Å; H794-F824 AromaticContact CG-CE2 3.73Å; H794-F824 AromaticContact CG-CG 3.64Å; H794-F824 AromaticContact CG-CZ 3.6Å; H794-F824 AromaticContact ND1-CD2 3.71Å; H794-F824 AromaticContact ND1-CE2 3.68Å; H794-F824 AromaticContact ND1-CZ 3.98Å; H794-F824 VanDerWaalsContact NE2-CB 3.3Å; H794-F824 WeakPolarHBondContact NE2-CB 3.47Å; H794-F824 AromaticContact NE2-CD1 3.82Å; H794-F824 AromaticContact NE2-CD2 3.52Å; H794-F824 AromaticContact NE2-CG 3.25Å; H794-F824 WeakPolarHBondContact NE2-CG 3.27Å; V822-F824 HydrophobicContact CB-CE2 4.34Å; V822-F824 HydrophobicContact CB-CZ 4.37Å; V822-F824 HydrophobicContact CG1-CD1 4.08Å; V822-F824 HydrophobicContact CG1-CD2 4.23Å; V822-F824 HydrophobicContact CG1-CE1 3.65Å; V822-F824 HydrophobicContact CG1-CE2 3.84Å; V822-F824 HydrophobicContact CG1-CG 4.36Å; V822-F824 HydrophobicContact CG1-CZ 3.54Å; V822-F824 PolarHBondContact O-N 3.16Å; F824-N826 PolarHBondContact O-N 3.29Å; F824-N826 VanDerWaalsContact O-N 3.15Å
825	D	55.1	Low	62.4	Low	126 Å²	126	75 Å²	75	67%	0.674	38%	0.384	S	S	*	.			trans	-52.6	124.8	177.2	-63.9	-49	0	0	0	108.7	E827	D825-E827 PolarHBondContact O-N 3.49Å
826	N	49.2	Very low	64.7	Low	149 Å²	149	73.3 Å²	73.3	80%	0.797	37%	0.374	S	S	*	.			trans	-68.8	19.7	-176.2	-88.2	-27.4	0	0	0	113.5	F824 D828	F824-N826 PolarHBondContact O-N 3.29Å; F824-N826 VanDerWaalsContact O-N 3.15Å; N826-D828 PolarHBondContact O-N 3Å
827	E	61.9	Low	67.3	Low	135 Å²	135	69.9 Å²	69.9	63%	0.631	34%	0.339	S	S	*	.			trans	-71.3	130.4	177.2	-66.3	-171	169.9	0	0	109.5	D825 L829	D825-E827 PolarHBondContact O-N 3.49Å; E827-L829 VanDerWaalsContact C-N 3.25Å; E827-L829 HydrophobicContact CB-CD2 4.2Å; E827-L829 HydrophobicContact CB-CG 4.19Å; E827-L829 PolarHBondContact O-N 3.38Å
828	D	70.4	Confident	69.8	Low	134 Å²	134	69.9 Å²	69.9	72%	0.717	33%	0.332	S	S	*	.			trans	-69	89.4	169.1	-174.1	5.7	0	0	0	108.5	N826 K830	N826-D828 PolarHBondContact O-N 3Å; D828-K830 PolarHBondContact O-N 2.67Å; D828-K830 WeakPolarHBondContact OD1-CB 3.37Å; D828-K830 PolarHBondContact OD1-N 2.79Å
829	L	82.4	Confident	72.5	Confident	23 Å²	23	65.3 Å²	65.3	12%	0.12	32%	0.315	C	S	.	.			trans	-82.4	7.5	179.8	-67.3	175.9	0	0	0	112.3	L795 S799 E827 W831 S832	L795-L829 HydrophobicContact CD1-CD1 3.62Å; S799-L829 VanDerWaalsContact CA-O 3.24Å; S799-L829 WeakPolarHBondContact CA-O 3.36Å; E827-L829 VanDerWaalsContact C-N 3.25Å; E827-L829 HydrophobicContact CB-CD2 4.2Å; E827-L829 HydrophobicContact CB-CG 4.19Å; E827-L829 PolarHBondContact O-N 3.38Å; L829-W831 PolarHBondContact O-N 2.83Å; L829-S832 WeakPolarHBondContact O-CA 3.43Å; L829-S832 WeakPolarHBondContact O-CB 3.31Å; L829-S832 PolarHBondContact O-N 2.84Å; L829-S832 PolarHBondContact O-OG 3.1Å; L829-S832 VanDerWaalsContact O-OG 3.1Å
830	K	87.6	Confident	75.1	Confident	12 Å²	12	55.4 Å²	55.4	5%	0.052	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	133.1	-174.3	-167.4	174	81	166.9	0	112.1	E502 F504 D802 D828 S832	E502-K830 IonicContact OE1-NZ 3.42Å; E502-K830 PolarHBondContact OE1-NZ 3.33Å; E502-K830 IonicContact OE2-NZ 3.73Å; F504-K830 VanDerWaalsContact CE2-O 3.25Å; F504-K830 WeakPolarHBondContact CE2-O 3.5Å; F504-K830 WeakPolarHBondContact CZ-O 3.15Å; D802-K830 HydrophobicContact CB-CD 4.3Å; D802-K830 IonicContact OD2-NZ 3.18Å; D802-K830 PolarHBondContact OD2-NZ 2.86Å; D828-K830 PolarHBondContact O-N 2.67Å; D828-K830 WeakPolarHBondContact OD1-CB 3.37Å; D828-K830 PolarHBondContact OD1-N 2.79Å; K830-S832 PolarHBondContact O-N 2.98Å; K830-S832 VanDerWaalsContact O-N 3.11Å
831	W	91.5	Very high	77.7	Confident	1 Å²	1	55.9 Å²	55.9	0%	0.004	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	15.9	-176.3	-46.3	124	0	0	0	115.6	I125 Y129 F504 L620 I652 S799 W800 D802 L829 F833	I125-W831 HydrophobicContact CD1-CE3 4.22Å; I125-W831 HydrophobicContact CD1-CZ3 3.92Å; I125-W831 HydrophobicContact CG1-CZ3 4.03Å; Y129-W831 HydrophobicContact CE2-CH2 4.28Å; F504-W831 HydrophobicContact CD1-CB 4.01Å; F504-W831 AromaticContact CD1-CD1 3.87Å; F504-W831 HydrophobicContact CD1-CG 4.29Å; F504-W831 AromaticContact CD2-CD1 3.66Å; F504-W831 HydrophobicContact CE1-CB 3.61Å; F504-W831 HydrophobicContact CE1-CG 4.34Å; F504-W831 HydrophobicContact CE2-CB 4.27Å; F504-W831 HydrophobicContact CG-CB 4.49Å; F504-W831 AromaticContact CG-CD1 3.56Å; F504-W831 HydrophobicContact CG-CG 4.39Å; F504-W831 HydrophobicContact CZ-CB 3.76Å; F504-W831 HydrophobicContact CZ-CG 4.48Å; L620-W831 HydrophobicContact CD2-CH2 4.07Å; I652-W831 HydrophobicContact CD1-CD2 3.53Å; I652-W831 HydrophobicContact CD1-CE3 3.82Å; I652-W831 HydrophobicContact CD1-CG 3.97Å; I652-W831 HydrophobicContact CD1-CH2 4.19Å; I652-W831 HydrophobicContact CD1-CZ2 3.94Å; I652-W831 HydrophobicContact CD1-CZ3 4.13Å; I652-W831 HydrophobicContact CG1-CD2 4.32Å; I652-W831 HydrophobicContact CG1-CG 4.35Å; S799-W831 CarbonylContact O-C 3.55Å; S799-W831 VanDerWaalsContact O-C 3.26Å; S799-W831 WeakPolarHBondContact O-CA 3.19Å; S799-W831 PolarHBondContact O-N 2.66Å; W800-W831 VanDerWaalsContact O-CZ3 3.23Å; W800-W831 WeakPolarHBondContact O-CZ3 3.39Å; D802-W831 HydrophobicContact CB-CH2 4.36Å; D802-W831 HydrophobicContact CB-CZ2 4.03Å; L829-W831 PolarHBondContact O-N 2.83Å; W831-F833 VanDerWaalsContact C-N 3.26Å; W831-F833 HydrophobicContact CB-CE2 4.24Å; W831-F833 HydrophobicContact CE3-CE2 4.15Å; W831-F833 AromaticContact CE3-CZ 3.91Å; W831-F833 HydrophobicContact CE3-CZ 3.91Å; W831-F833 HydrophobicContact CZ3-CZ 4.47Å; W831-F833 VanDerWaalsContact O-CD2 3.24Å; W831-F833 WeakPolarHBondContact O-CD2 3.28Å; W831-F833 PolarHBondContact O-N 3.42Å
832	S	91.7	Very high	80.4	Confident	19 Å²	19	51.3 Å²	51.3	13%	0.133	26%	0.263	C	S	.	.			trans	-82.8	64.2	175.5	-65	0	0	0	0	112.3	S799 L829 K830 H834 H835	S799-S832 PolarHBondContact O-N 3.47Å; L829-S832 WeakPolarHBondContact O-CA 3.43Å; L829-S832 WeakPolarHBondContact O-CB 3.31Å; L829-S832 PolarHBondContact O-N 2.84Å; L829-S832 PolarHBondContact O-OG 3.1Å; L829-S832 VanDerWaalsContact O-OG 3.1Å; K830-S832 PolarHBondContact O-N 2.98Å; K830-S832 VanDerWaalsContact O-N 3.11Å; S832-H834 PolarHBondContact O-N 3.1Å; S832-H834 VanDerWaalsContact O-N 3.12Å; S832-H835 WeakPolarHBondContact O-CB 3.13Å; S832-H835 PolarHBondContact O-N 3.39Å
833	F	93.9	Very high	82.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-51.4	-42.8	-175.5	-67.1	-83.8	0	0	0	113.9	I121 I125 L707 L711 W800 W831 H835 G836 V837	I121-F833 HydrophobicContact CG2-CD2 4.45Å; I121-F833 HydrophobicContact CG2-CE2 3.87Å; I121-F833 HydrophobicContact CG2-CZ 4.23Å; I125-F833 HydrophobicContact CD1-CE2 4.44Å; I125-F833 HydrophobicContact CD1-CZ 3.86Å; I125-F833 HydrophobicContact CG1-CE1 4.13Å; I125-F833 HydrophobicContact CG1-CZ 3.54Å; L707-F833 HydrophobicContact CB-CB 4.4Å; L707-F833 HydrophobicContact CD2-CB 4.08Å; L707-F833 HydrophobicContact CD2-CG 4.19Å; L707-F833 CarbonylContact O-C 3.53Å; L711-F833 HydrophobicContact CD1-CD2 3.62Å; L711-F833 HydrophobicContact CD1-CE2 3.89Å; L711-F833 HydrophobicContact CG-CD2 4.38Å; W800-F833 HydrophobicContact CB-CD1 4.16Å; W800-F833 HydrophobicContact CB-CE1 3.81Å; W800-F833 AromaticContact CD1-CD1 3.53Å; W800-F833 AromaticContact CD2-CD1 3.77Å; W800-F833 HydrophobicContact CD2-CD1 3.77Å; W800-F833 HydrophobicContact CD2-CE1 4.15Å; W800-F833 AromaticContact CE2-CD1 3.88Å; W800-F833 AromaticContact CG-CD1 3.57Å; W800-F833 HydrophobicContact CG-CD1 3.57Å; W800-F833 AromaticContact CG-CE1 3.75Å; W800-F833 HydrophobicContact CG-CE1 3.75Å; W800-F833 VanDerWaalsContact NE1-CA 3.35Å; W800-F833 AromaticContact NE1-CD1 3.76Å; W800-F833 PolarHBondContact NE1-O 3.4Å; W800-F833 VanDerWaalsContact NE1-O 3.13Å; W831-F833 VanDerWaalsContact C-N 3.26Å; W831-F833 HydrophobicContact CB-CE2 4.24Å; W831-F833 HydrophobicContact CE3-CE2 4.15Å; W831-F833 AromaticContact CE3-CZ 3.91Å; W831-F833 HydrophobicContact CE3-CZ 3.91Å; W831-F833 HydrophobicContact CZ3-CZ 4.47Å; W831-F833 VanDerWaalsContact O-CD2 3.24Å; W831-F833 WeakPolarHBondContact O-CD2 3.28Å; W831-F833 PolarHBondContact O-N 3.42Å; F833-H835 VanDerWaalsContact C-N 3.34Å; F833-H835 PolarHBondContact O-N 3.48Å; F833-G836 WeakPolarHBondContact O-CA 3.21Å; F833-G836 PolarHBondContact O-N 3.17Å; F833-V837 PolarHBondContact O-N 2.77Å
834	H	93.9	Very high	84.9	Confident	27 Å²	27	46.9 Å²	46.9	13%	0.125	24%	0.238	C	C	.	.	H	α-helix	trans	-54.3	-38.9	176	64.8	-63.4	0	0	0	115.2	L707 T708 S832 G836 K838	L707-H834 WeakPolarHBondContact O-CA 3.21Å; L707-H834 PolarHBondContact O-N 2.91Å; T708-H834 WeakPolarHBondContact O-CB 3.49Å; S832-H834 PolarHBondContact O-N 3.1Å; S832-H834 VanDerWaalsContact O-N 3.12Å; H834-G836 VanDerWaalsContact C-N 3.33Å; H834-K838 VanDerWaalsContact O-CB 3.25Å; H834-K838 WeakPolarHBondContact O-CB 3.35Å; H834-K838 PolarHBondContact O-N 2.9Å
835	H	91.9	Very high	86.7	Confident	76 Å²	76	48.5 Å²	48.5	35%	0.352	25%	0.248	S	C	.	.	H	α-helix	trans	-63.2	-44.4	174.6	-79.3	102.9	0	0	0	110.3	L795 S832 F833 K838 G839	L795-H835 HydrophobicContact CD1-CB 4.46Å; S832-H835 WeakPolarHBondContact O-CB 3.13Å; S832-H835 PolarHBondContact O-N 3.39Å; F833-H835 VanDerWaalsContact C-N 3.34Å; F833-H835 PolarHBondContact O-N 3.48Å; H835-K838 PolarHBondContact O-N 3.06Å; H835-G839 PolarHBondContact O-N 3.32Å
836	G	92.8	Very high	88.3	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.4	-48.1	176.3	0	0	0	0	0	113.1	I796 F833 H834 K838 G839 M840	I796-G836 WeakPolarHBondContact CD1-O 3.14Å; F833-G836 WeakPolarHBondContact O-CA 3.21Å; F833-G836 PolarHBondContact O-N 3.17Å; H834-G836 VanDerWaalsContact C-N 3.33Å; G836-K838 PolarHBondContact O-N 3.49Å; G836-G839 PolarHBondContact O-N 3.04Å; G836-M840 WeakPolarHBondContact O-CB 3.46Å; G836-M840 VanDerWaalsContact O-CG 3.3Å; G836-M840 WeakPolarHBondContact O-CG 3.24Å; G836-M840 PolarHBondContact O-N 3.43Å
837	V	95.7	Very high	90.3	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	21%	0.205	C	C	.	.	H	α-helix	trans	-60.1	-44.7	177.5	178.1	0	0	0	0	111.3	L707 T708 W800 F833 M840 Q841 I886	L707-V837 HydrophobicContact CB-CG2 3.79Å; T708-V837 HydrophobicContact CG2-CG1 3.88Å; W800-V837 HydrophobicContact CZ2-CG2 3.82Å; F833-V837 PolarHBondContact O-N 2.77Å; V837-M840 WeakPolarHBondContact O-CB 3.4Å; V837-M840 PolarHBondContact O-N 3.2Å; V837-Q841 WeakPolarHBondContact O-CG 3.13Å; V837-Q841 PolarHBondContact O-N 3.47Å; V837-I886 HydrophobicContact CG2-CD1 4.33Å
838	K	94.1	Very high	91.9	Very high	133 Å²	133	34.1 Å²	34.1	58%	0.578	18%	0.175	S	C	*	.	H	α-helix	trans	-64.6	-41.6	177.5	-174.1	177.4	179.5	-177.8	0	111.8	H834 H835 G836 Q841 N842	H834-K838 VanDerWaalsContact O-CB 3.25Å; H834-K838 WeakPolarHBondContact O-CB 3.35Å; H834-K838 PolarHBondContact O-N 2.9Å; H835-K838 PolarHBondContact O-N 3.06Å; G836-K838 PolarHBondContact O-N 3.49Å; K838-Q841 PolarHBondContact O-N 3.33Å; K838-N842 WeakPolarHBondContact O-CB 3.42Å; K838-N842 VanDerWaalsContact O-CG 3.26Å; K838-N842 PolarHBondContact O-N 2.81Å; K838-N842 PolarHBondContact O-ND2 2.79Å
839	G	93.9	Very high	92.8	Very high	15 Å²	15	27.9 Å²	27.9	16%	0.155	14%	0.142	C	C	.	.	H	α-helix	trans	-60.1	-46.9	174.7	0	0	0	0	0	112.1	H835 G836 Q841 N842 W843	H835-G839 PolarHBondContact O-N 3.32Å; G836-G839 PolarHBondContact O-N 3.04Å; G839-Q841 PolarHBondContact O-N 3.49Å; G839-N842 PolarHBondContact O-N 3.48Å; G839-W843 WeakPolarHBondContact O-CB 3.45Å; G839-W843 PolarHBondContact O-N 2.84Å
840	M	95.7	Very high	92.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-55.2	-49.9	174.4	-82.4	-173.7	-161.1	0	0	112.3	L792 I796 W800 G836 V837 W844 I882 F883 I886	L792-M840 HydrophobicContact CD1-CG 4.17Å; I796-M840 HydrophobicContact CB-CE 4.4Å; I796-M840 HydrophobicContact CD1-CE 3.49Å; I796-M840 VanDerWaalsContact CD1-CE 3.49Å; I796-M840 HydrophobicContact CD1-CG 3.86Å; I796-M840 HydrophobicContact CD1-SD 4.49Å; I796-M840 HydrophobicContact CG1-CE 3.67Å; I796-M840 HydrophobicContact CG1-CG 4.35Å; I796-M840 HydrophobicContact CG2-CE 3.78Å; W800-M840 HydrophobicContact CE3-CE 4.32Å; W800-M840 HydrophobicContact CH2-CE 3.03Å; W800-M840 HydrophobicContact CH2-SD 3.85Å; W800-M840 HydrophobicContact CZ2-CE 3.43Å; W800-M840 VanDerWaalsContact CZ2-CE 3.43Å; W800-M840 HydrophobicContact CZ2-SD 4.21Å; W800-M840 HydrophobicContact CZ3-CE 3.53Å; G836-M840 WeakPolarHBondContact O-CB 3.46Å; G836-M840 VanDerWaalsContact O-CG 3.3Å; G836-M840 WeakPolarHBondContact O-CG 3.24Å; G836-M840 PolarHBondContact O-N 3.43Å; V837-M840 WeakPolarHBondContact O-CB 3.4Å; V837-M840 PolarHBondContact O-N 3.2Å; M840-W844 WeakPolarHBondContact O-CB 3.22Å; M840-W844 PolarHBondContact O-N 3.21Å; M840-I882 HydrophobicContact CE-CG2 3.37Å; M840-I882 WeakPolarHBondContact CE-O 3.44Å; M840-I882 HydrophobicContact CG-CG2 3.8Å; M840-I882 HydrophobicContact SD-CG2 3.91Å; M840-F883 HydrophobicContact CB-CE1 3.8Å; M840-F883 HydrophobicContact CB-CE2 3.81Å; M840-F883 HydrophobicContact CB-CZ 3.42Å; M840-F883 VanDerWaalsContact CB-CZ 3.42Å; M840-F883 HydrophobicContact CG-CD2 4.41Å; M840-F883 HydrophobicContact CG-CE1 4.4Å; M840-F883 HydrophobicContact CG-CE2 4.07Å; M840-F883 HydrophobicContact CG-CZ 4.11Å; M840-F883 HydrophobicContact SD-CD1 3.95Å; M840-F883 HydrophobicContact SD-CD2 4.17Å; M840-F883 HydrophobicContact SD-CE1 4.05Å; M840-F883 HydrophobicContact SD-CE2 4.32Å; M840-F883 HydrophobicContact SD-CG 4.04Å; M840-F883 HydrophobicContact SD-CZ 4.3Å; M840-I886 HydrophobicContact SD-CD1 3.86Å
841	Q	96	Very high	92.7	Very high	35 Å²	35	30.4 Å²	30.4	16%	0.164	16%	0.161	C	C	.	.	H	α-helix	trans	-64.6	-45.7	179.2	-70.6	-173	-59.4	0	0	112.5	M726 F729 V837 K838 G839 W844 L845	M726-Q841 PolarHBondContact SD-NE2 3.37Å; F729-Q841 HydrophobicContact CD2-CG 4.34Å; F729-Q841 HydrophobicContact CE1-CG 4.4Å; F729-Q841 HydrophobicContact CE2-CB 4.28Å; F729-Q841 HydrophobicContact CE2-CG 4.13Å; F729-Q841 HydrophobicContact CZ-CG 4.17Å; V837-Q841 WeakPolarHBondContact O-CG 3.13Å; V837-Q841 PolarHBondContact O-N 3.47Å; K838-Q841 PolarHBondContact O-N 3.33Å; G839-Q841 PolarHBondContact O-N 3.49Å; Q841-W844 PolarHBondContact O-N 3.45Å; Q841-L845 WeakPolarHBondContact O-CB 3.43Å; Q841-L845 WeakPolarHBondContact O-CG 3.22Å; Q841-L845 PolarHBondContact O-N 2.95Å
842	N	94.6	Very high	92.5	Very high	72 Å²	72	30.3 Å²	30.3	39%	0.385	16%	0.161	S	C	.	.	H	α-helix	trans	-61.1	-46.2	179	-77.6	-20.5	0	0	0	111.3	K838 G839 N846 D847	K838-N842 WeakPolarHBondContact O-CB 3.42Å; K838-N842 VanDerWaalsContact O-CG 3.26Å; K838-N842 PolarHBondContact O-N 2.81Å; K838-N842 PolarHBondContact O-ND2 2.79Å; G839-N842 PolarHBondContact O-N 3.48Å; N842-N846 WeakPolarHBondContact O-CA 3.36Å; N842-N846 VanDerWaalsContact O-CB 3.25Å; N842-N846 WeakPolarHBondContact O-CB 3.4Å; N842-N846 PolarHBondContact O-N 3.2Å; N842-D847 PolarHBondContact O-N 2.83Å
843	W	96.3	Very high	92.3	Very high	5 Å²	5	29.8 Å²	29.8	2%	0.019	16%	0.156	C	C	.	.	I	π-helix	trans	-61	-47.1	176.8	177.9	83.5	0	0	0	111.4	L789 L792 G839 D847 L848 C875	L789-W843 HydrophobicContact CB-CZ2 4.16Å; L789-W843 HydrophobicContact CD1-CH2 4.12Å; L789-W843 HydrophobicContact CD1-CZ2 3.71Å; L789-W843 HydrophobicContact CD2-CZ2 4.45Å; L789-W843 HydrophobicContact CG-CZ2 4.32Å; L792-W843 HydrophobicContact CD2-CB 3.82Å; L792-W843 HydrophobicContact CD2-CD2 3.7Å; L792-W843 HydrophobicContact CD2-CE3 3.86Å; L792-W843 HydrophobicContact CD2-CG 3.67Å; G839-W843 WeakPolarHBondContact O-CB 3.45Å; G839-W843 PolarHBondContact O-N 2.84Å; W843-D847 WeakPolarHBondContact O-CB 3.32Å; W843-D847 PolarHBondContact O-N 2.8Å; W843-L848 HydrophobicContact CH2-CB 4.44Å; W843-L848 HydrophobicContact CH2-CD1 4.34Å; W843-L848 HydrophobicContact CH2-CD2 3.88Å; W843-L848 HydrophobicContact CH2-CG 4.45Å; W843-L848 HydrophobicContact CZ2-CB 4.49Å; W843-L848 HydrophobicContact CZ2-CD1 4.44Å; W843-L848 HydrophobicContact CZ3-CD2 3.94Å; W843-L848 PolarHBondContact O-N 3.15Å; W843-C875 HydrophobicContact CH2-CB 4.32Å; W843-C875 WeakPolarHBondContact CH2-O 3.02Å; W843-C875 HydrophobicContact CZ2-CB 4.27Å
844	W	97.1	Very high	91.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.	I	π-helix	trans	-66	-45.3	-178.5	-166.5	-72.4	0	0	0	112.5	F729 M733 T736 M840 Q841 L848 C849 L876 I880 F883	F729-W844 HydrophobicContact CE2-CB 4.01Å; F729-W844 HydrophobicContact CE2-CG 4.19Å; F729-W844 HydrophobicContact CZ-CB 3.94Å; F729-W844 HydrophobicContact CZ-CG 4.06Å; M733-W844 HydrophobicContact CB-CH2 4.32Å; M733-W844 HydrophobicContact CB-CZ2 3.74Å; M733-W844 HydrophobicContact CE-CE3 4.14Å; M733-W844 HydrophobicContact CE-CH2 3.74Å; M733-W844 HydrophobicContact CE-CZ2 4.25Å; M733-W844 HydrophobicContact CE-CZ3 3.72Å; M733-W844 HydrophobicContact CG-CD2 4.03Å; M733-W844 HydrophobicContact CG-CG 4.49Å; M733-W844 HydrophobicContact CG-CH2 4.25Å; M733-W844 HydrophobicContact CG-CZ2 3.77Å; T736-W844 HydrophobicContact CG2-CZ2 3.98Å; T736-W844 PolarHBondContact OG1-NE1 2.99Å; M840-W844 WeakPolarHBondContact O-CB 3.22Å; M840-W844 PolarHBondContact O-N 3.21Å; Q841-W844 PolarHBondContact O-N 3.45Å; W844-L848 HydrophobicContact CD2-CD2 4.14Å; W844-L848 HydrophobicContact CE3-CD2 4.34Å; W844-C849 VanDerWaalsContact O-CB 3.24Å; W844-C849 WeakPolarHBondContact O-CB 3.31Å; W844-C849 PolarHBondContact O-N 3Å; W844-C849 PolarHBondContact O-SG 3.19Å; W844-L876 HydrophobicContact CH2-CD1 3.3Å; W844-L876 HydrophobicContact CZ2-CD1 3.63Å; W844-L876 HydrophobicContact CZ3-CD1 4.24Å; W844-I880 HydrophobicContact CH2-CG1 4.48Å; W844-F883 HydrophobicContact CB-CZ 4.4Å; W844-F883 HydrophobicContact CE3-CD2 4.32Å; W844-F883 AromaticContact CE3-CE2 3.76Å; W844-F883 HydrophobicContact CE3-CE2 3.76Å; W844-F883 HydrophobicContact CE3-CZ 4.37Å; W844-F883 HydrophobicContact CZ3-CE2 4.38Å
845	L	94.2	Very high	90.8	Very high	56 Å²	56	30.5 Å²	30.5	29%	0.293	16%	0.16	S	C	.	.	I	π-helix	trans	-78.7	-49.9	-175.1	-65.9	-179.5	0	0	0	112.6	F729 K732 Q841 C849 S850	F729-L845 HydrophobicContact CD2-CD1 4.05Å; F729-L845 HydrophobicContact CD2-CD2 3.91Å; F729-L845 HydrophobicContact CD2-CG 3.98Å; F729-L845 HydrophobicContact CE2-CD1 4.31Å; F729-L845 HydrophobicContact CE2-CD2 3.96Å; F729-L845 HydrophobicContact CE2-CG 3.84Å; K732-L845 HydrophobicContact CB-CD2 4.37Å; K732-L845 HydrophobicContact CG-CD2 3.62Å; Q841-L845 WeakPolarHBondContact O-CB 3.43Å; Q841-L845 WeakPolarHBondContact O-CG 3.22Å; Q841-L845 PolarHBondContact O-N 2.95Å; L845-C849 WeakPolarHBondContact O-CB 3.4Å; L845-S850 WeakPolarHBondContact O-CB 3.49Å; L845-S850 PolarHBondContact O-N 3.15Å; L845-S850 PolarHBondContact O-OG 2.74Å
846	N	90.5	Very high	90.2	Very high	79 Å²	79	27.1 Å²	27.1	42%	0.422	14%	0.144	S	C	.	.	I	π-helix	trans	-89.8	-50	-169.3	-55.9	-34.8	0	0	0	110.5	N842 S850 I851	N842-N846 WeakPolarHBondContact O-CA 3.36Å; N842-N846 VanDerWaalsContact O-CB 3.25Å; N842-N846 WeakPolarHBondContact O-CB 3.4Å; N842-N846 PolarHBondContact O-N 3.2Å; N846-S850 WeakPolarHBondContact O-CB 3.46Å; N846-I851 WeakPolarHBondContact O-CG1 3.27Å; N846-I851 PolarHBondContact O-N 2.98Å
847	D	90.9	Very high	89.4	Confident	28 Å²	28	31.3 Å²	31.3	15%	0.15	16%	0.163	C	C	.	.	I	π-helix	trans	-78.3	-55.4	-174.8	-59	-41.4	0	0	0	111.6	W784 I785 N842 W843 Y852	W784-D847 HydrophobicContact CH2-CB 3.82Å; W784-D847 HydrophobicContact CZ2-CB 4.27Å; I785-D847 HydrophobicContact CD1-CB 4.02Å; N842-D847 PolarHBondContact O-N 2.83Å; W843-D847 WeakPolarHBondContact O-CB 3.32Å; W843-D847 PolarHBondContact O-N 2.8Å; D847-Y852 PolarHBondContact O-N 2.93Å
848	L	94.2	Very high	88	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.176	C	C	.	.	I	π-helix	trans	-73.4	-58.3	-177.1	-176.3	71	0	0	0	111.7	T736 W843 W844 Y852 L853 L872 C875	T736-L848 HydrophobicContact CG2-CD2 4.37Å; W843-L848 HydrophobicContact CH2-CB 4.44Å; W843-L848 HydrophobicContact CH2-CD1 4.34Å; W843-L848 HydrophobicContact CH2-CD2 3.88Å; W843-L848 HydrophobicContact CH2-CG 4.45Å; W843-L848 HydrophobicContact CZ2-CB 4.49Å; W843-L848 HydrophobicContact CZ2-CD1 4.44Å; W843-L848 HydrophobicContact CZ3-CD2 3.94Å; W843-L848 PolarHBondContact O-N 3.15Å; W844-L848 HydrophobicContact CD2-CD2 4.14Å; W844-L848 HydrophobicContact CE3-CD2 4.34Å; L848-Y852 HydrophobicContact CD1-CD1 4.18Å; L848-Y852 PolarHBondContact O-N 2.8Å; L848-L853 WeakPolarHBondContact O-CB 3.44Å; L848-L853 PolarHBondContact O-N 3.41Å; L848-L872 HydrophobicContact CD1-CD1 3.64Å; L848-C875 HydrophobicContact CD1-CB 4.16Å
849	C	90.9	Very high	86.6	Confident	3 Å²	3	28.8 Å²	28.8	2%	0.02	15%	0.154	C	C	.	.	I	π-helix	trans	-78.9	-40	-170.6	-72.8	0	0	0	0	114.5	K732 T736 W844 L845	K732-C849 VanDerWaalsContact CE-SG 3.55Å; T736-C849 PolarHBondContact OG1-SG 2.69Å; W844-C849 VanDerWaalsContact O-CB 3.24Å; W844-C849 WeakPolarHBondContact O-CB 3.31Å; W844-C849 PolarHBondContact O-N 3Å; W844-C849 PolarHBondContact O-SG 3.19Å; L845-C849 WeakPolarHBondContact O-CB 3.4Å
850	S	83.7	Confident	84.9	Confident	63 Å²	63	30.3 Å²	30.3	44%	0.441	17%	0.17	S	C	.	.	I	π-helix	trans	-87.6	-26.2	-172	-58.7	0	0	0	0	113.2	L845 N846 E854	L845-S850 WeakPolarHBondContact O-CB 3.49Å; L845-S850 PolarHBondContact O-N 3.15Å; L845-S850 PolarHBondContact O-OG 2.74Å; N846-S850 WeakPolarHBondContact O-CB 3.46Å; S850-E854 WeakPolarHBondContact O-CG 3.36Å
851	I	83.6	Confident	83.1	Confident	25 Å²	25	35.5 Å²	35.5	13%	0.128	21%	0.207	C	C	.	.	I	π-helix	trans	-110.7	-71.7	-179.1	-60.3	167.3	0	0	0	109.9	W784 N846 L853 E854 V855 M946	W784-I851 HydrophobicContact CH2-CB 3.82Å; W784-I851 HydrophobicContact CH2-CD1 3.66Å; W784-I851 HydrophobicContact CH2-CG1 4.34Å; W784-I851 HydrophobicContact CH2-CG2 3.7Å; W784-I851 HydrophobicContact CZ2-CD1 4.02Å; W784-I851 HydrophobicContact CZ3-CB 4.07Å; W784-I851 HydrophobicContact CZ3-CG2 3.66Å; N846-I851 WeakPolarHBondContact O-CG1 3.27Å; N846-I851 PolarHBondContact O-N 2.98Å; I851-L853 PolarHBondContact O-N 3.5Å; I851-E854 PolarHBondContact O-N 3.46Å; I851-V855 WeakPolarHBondContact O-CG2 3.44Å; I851-V855 PolarHBondContact O-N 3.16Å; I851-M946 HydrophobicContact CG2-CE 4.19Å
852	Y	88	Confident	81.4	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.22	C	C	.	.	I	π-helix	trans	-63.4	-47.5	-167.1	-171.7	-105	0	0	0	113.6	F781 D782 I785 D847 L848 E854 V855 I856 S868 I871 L872	F781-Y852 AromaticContact CD2-CD2 3.51Å; F781-Y852 HydrophobicContact CD2-CD2 3.51Å; F781-Y852 AromaticContact CD2-CE2 3.25Å; F781-Y852 HydrophobicContact CD2-CE2 3.25Å; F781-Y852 HydrophobicContact CE2-CD2 4.04Å; F781-Y852 AromaticContact CE2-CE2 3.32Å; F781-Y852 HydrophobicContact CE2-CE2 3.32Å; D782-Y852 PolarHBondContact OD1-OH 3.07Å; I785-Y852 HydrophobicContact CB-CD2 3.63Å; I785-Y852 HydrophobicContact CB-CE2 3.96Å; I785-Y852 HydrophobicContact CB-CG 3.99Å; I785-Y852 HydrophobicContact CD1-CG 4.43Å; I785-Y852 HydrophobicContact CG1-CD1 4.17Å; I785-Y852 HydrophobicContact CG1-CD2 4.09Å; I785-Y852 HydrophobicContact CG1-CG 3.9Å; I785-Y852 HydrophobicContact CG2-CD1 4.33Å; I785-Y852 HydrophobicContact CG2-CD2 3.53Å; I785-Y852 HydrophobicContact CG2-CE1 4.13Å; I785-Y852 HydrophobicContact CG2-CE2 3.29Å; I785-Y852 HydrophobicContact CG2-CG 4.09Å; D847-Y852 PolarHBondContact O-N 2.93Å; L848-Y852 HydrophobicContact CD1-CD1 4.18Å; L848-Y852 PolarHBondContact O-N 2.8Å; Y852-E854 VanDerWaalsContact C-N 3.29Å; Y852-E854 PolarHBondContact O-N 3.18Å; Y852-V855 WeakPolarHBondContact O-CB 3.23Å; Y852-V855 PolarHBondContact O-N 2.88Å; Y852-I856 HydrophobicContact CD1-CD1 3.88Å; Y852-I856 HydrophobicContact CE1-CD1 3.32Å; Y852-I856 HydrophobicContact CE2-CD1 4.45Å; Y852-I856 PolarHBondContact O-N 3.27Å; Y852-S868 PolarHBondContact OH-O 2.95Å; Y852-S868 VanDerWaalsContact OH-O 3.05Å; Y852-I871 WeakPolarHBondContact OH-CG2 3.4Å; Y852-L872 HydrophobicContact CD1-CD1 3.74Å; Y852-L872 HydrophobicContact CE1-CB 3.79Å; Y852-L872 HydrophobicContact CE1-CD1 3.85Å; Y852-L872 HydrophobicContact CE1-CG 4.37Å
853	L	86.3	Confident	79.7	Confident	7 Å²	7	39.2 Å²	39.2	4%	0.037	24%	0.236	C	C	.	.	H	α-helix	trans	-66.3	-32.2	178.8	-175.3	154	0	0	0	112.1	T736 F739 L848 I851 K857	T736-L853 HydrophobicContact CG2-CD1 3.76Å; F739-L853 HydrophobicContact CD1-CD1 3.92Å; F739-L853 HydrophobicContact CD1-CD2 4.11Å; F739-L853 HydrophobicContact CD1-CG 4.05Å; F739-L853 HydrophobicContact CE1-CD1 4.34Å; F739-L853 HydrophobicContact CE1-CD2 4Å; F739-L853 HydrophobicContact CE1-CG 3.96Å; L848-L853 WeakPolarHBondContact O-CB 3.44Å; L848-L853 PolarHBondContact O-N 3.41Å; I851-L853 PolarHBondContact O-N 3.5Å; L853-K857 HydrophobicContact CD2-CD 3.73Å; L853-K857 HydrophobicContact CD2-CG 4.16Å; L853-K857 VanDerWaalsContact CD2-NZ 3.27Å; L853-K857 WeakPolarHBondContact O-CB 3.44Å; L853-K857 WeakPolarHBondContact O-CG 3.34Å; L853-K857 PolarHBondContact O-N 2.65Å
854	E	79.3	Confident	77.9	Confident	38 Å²	38	41.3 Å²	41.3	18%	0.178	25%	0.252	C	S	.	.	H	α-helix	trans	-71.9	-33.8	175.1	-69.7	-68.4	124.8	0	0	112.1	S850 I851 Y852 K857 N858 R960	S850-E854 WeakPolarHBondContact O-CG 3.36Å; I851-E854 PolarHBondContact O-N 3.46Å; Y852-E854 VanDerWaalsContact C-N 3.29Å; Y852-E854 PolarHBondContact O-N 3.18Å; E854-K857 WeakPolarHBondContact OE1-CD 3.47Å; E854-K857 IonicContact OE1-NZ 2.87Å; E854-K857 PolarHBondContact OE1-NZ 3.22Å; E854-N858 PolarHBondContact O-ND2 3.37Å; E854-R960 IonicContact OE2-CZ 2.81Å; E854-R960 IonicContact OE2-NE 3.79Å; E854-R960 PolarHBondContact OE2-NE 3.45Å; E854-R960 IonicContact OE2-NH2 2.79Å
855	V	77.3	Confident	76.6	Confident	5 Å²	5	41.3 Å²	41.3	3%	0.03	25%	0.252	C	S	.	.	H	α-helix	trans	-58.7	-55	170.9	-179.8	0	0	0	0	109.3	F781 I851 Y852 K857 N858 L963	F781-V855 HydrophobicContact CD1-CG1 4.42Å; F781-V855 HydrophobicContact CD2-CG1 4.18Å; F781-V855 HydrophobicContact CE2-CG1 4.49Å; F781-V855 HydrophobicContact CG-CG1 4.3Å; I851-V855 WeakPolarHBondContact O-CG2 3.44Å; I851-V855 PolarHBondContact O-N 3.16Å; Y852-V855 WeakPolarHBondContact O-CB 3.23Å; Y852-V855 PolarHBondContact O-N 2.88Å; V855-K857 VanDerWaalsContact C-N 3.33Å; V855-K857 PolarHBondContact O-N 3.17Å; V855-N858 PolarHBondContact O-N 2.89Å; V855-N858 VanDerWaalsContact O-N 3.17Å; V855-L963 HydrophobicContact CB-CD1 4.24Å; V855-L963 HydrophobicContact CG1-CB 4.33Å; V855-L963 HydrophobicContact CG1-CD1 4.4Å; V855-L963 HydrophobicContact CG2-CD1 3.34Å
856	I	79.6	Confident	75.8	Confident	5 Å²	5	40.5 Å²	40.5	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-62.3	-37.7	-177.2	-67.2	172.6	0	0	0	112.3	Y852 N858 E859 S868 L869 L872	Y852-I856 HydrophobicContact CD1-CD1 3.88Å; Y852-I856 HydrophobicContact CE1-CD1 3.32Å; Y852-I856 HydrophobicContact CE2-CD1 4.45Å; Y852-I856 PolarHBondContact O-N 3.27Å; I856-N858 PolarHBondContact O-N 2.82Å; I856-E859 PolarHBondContact O-N 3.25Å; I856-S868 WeakPolarHBondContact CD1-O 3.22Å; I856-L869 HydrophobicContact CG2-CD1 4.32Å; I856-L872 HydrophobicContact CD1-CB 3.72Å; I856-L872 HydrophobicContact CD1-CD2 3.84Å; I856-L872 HydrophobicContact CD1-CG 4.23Å; I856-L872 HydrophobicContact CG2-CD2 4.38Å
857	K	76.2	Confident	75.6	Confident	88 Å²	88	38.5 Å²	38.5	38%	0.383	24%	0.238	S	C	.	.	H	α-helix	trans	-56.3	-32.7	177.3	-92	175.3	178.6	164.4	0	114.1	F739 L853 E854 V855	F739-K857 HydrophobicContact CE1-CG 3.96Å; F739-K857 HydrophobicContact CE2-CD 4.21Å; F739-K857 VanDerWaalsContact CE2-CE 3.5Å; F739-K857 HydrophobicContact CE2-CG 3.75Å; F739-K857 HydrophobicContact CZ-CB 4.47Å; F739-K857 HydrophobicContact CZ-CD 4.03Å; F739-K857 HydrophobicContact CZ-CG 3.2Å; L853-K857 HydrophobicContact CD2-CD 3.73Å; L853-K857 HydrophobicContact CD2-CG 4.16Å; L853-K857 VanDerWaalsContact CD2-NZ 3.27Å; L853-K857 WeakPolarHBondContact O-CB 3.44Å; L853-K857 WeakPolarHBondContact O-CG 3.34Å; L853-K857 PolarHBondContact O-N 2.65Å; E854-K857 WeakPolarHBondContact OE1-CD 3.47Å; E854-K857 IonicContact OE1-NZ 2.87Å; E854-K857 PolarHBondContact OE1-NZ 3.22Å; V855-K857 VanDerWaalsContact C-N 3.33Å; V855-K857 PolarHBondContact O-N 3.17Å
858	N	64.9	Low	75.3	Confident	53 Å²	53	37.1 Å²	37.1	28%	0.283	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	3.8	-172.5	-68.7	-64.6	0	0	0	113.2	E854 V855 I856 R960 R964	E854-N858 PolarHBondContact O-ND2 3.37Å; V855-N858 PolarHBondContact O-N 2.89Å; V855-N858 VanDerWaalsContact O-N 3.17Å; I856-N858 PolarHBondContact O-N 2.82Å; N858-R960 WeakPolarHBondContact ND2-CB 3.47Å; N858-R960 WeakPolarHBondContact ND2-CD 3.48Å; N858-R964 PolarHBondContact O-NE 3.37Å; N858-R964 VanDerWaalsContact O-NE 3.12Å; N858-R964 PolarHBondContact O-NH2 3.15Å
859	E	65.6	Low	75	Confident	27 Å²	27	37.1 Å²	37.1	13%	0.126	23%	0.231	C	C	.	.			trans	-90.8	141.7	-179.8	-69.3	176.3	-172.8	0	0	112.2	R779 I856 N865	R779-E859 IonicContact CZ-OE1 3.01Å; R779-E859 VanDerWaalsContact CZ-OE1 3.26Å; R779-E859 IonicContact CZ-OE2 2.82Å; R779-E859 VanDerWaalsContact NH1-CD 3.34Å; R779-E859 IonicContact NH1-OE1 3.8Å; R779-E859 PolarHBondContact NH1-OE1 3.47Å; R779-E859 IonicContact NH1-OE2 3.84Å; R779-E859 PolarHBondContact NH1-OE2 3.25Å; R779-E859 VanDerWaalsContact NH2-CD 3.28Å; R779-E859 IonicContact NH2-OE1 3.61Å; R779-E859 PolarHBondContact NH2-OE1 3.29Å; R779-E859 IonicContact NH2-OE2 2.73Å; R779-E859 PolarHBondContact NH2-OE2 3.44Å; I856-E859 PolarHBondContact O-N 3.25Å; E859-N865 HydrophobicContact CB-CB 4.45Å; E859-N865 WeakPolarHBondContact CB-ND2 3.48Å; E859-N865 PolarHBondContact O-ND2 2.93Å; E859-N865 PolarHBondContact OE2-OD1 3.19Å
860	G	59.1	Low	74.9	Confident	47 Å²	47	37 Å²	37	49%	0.485	23%	0.23	S	C	.	.			trans	-76.8	168.5	168.1	0	0	0	0	0	112.1	T862 N865	G860-T862 PolarHBondContact O-N 3.41Å; G860-N865 PolarHBondContact O-ND2 3Å
861	S	56.5	Low	75.2	Confident	110 Å²	110	34 Å²	34	77%	0.769	21%	0.209	S	C	*	.	S	Bend	trans	-70.1	87.3	-179.6	-54.1	0	0	0	0	112.1
862	T	60.6	Low	75.6	Confident	72 Å²	72	32.8 Å²	32.8	44%	0.442	20%	0.203	S	C	.	.			trans	-115.7	157	172.5	64.7	0	0	0	0	110.7	G860 S864 N865 T866	G860-T862 PolarHBondContact O-N 3.41Å; T862-S864 PolarHBondContact O-N 3.42Å; T862-N865 WeakPolarHBondContact O-CA 3.42Å; T862-N865 VanDerWaalsContact O-CB 3.27Å; T862-N865 WeakPolarHBondContact O-CB 3.43Å; T862-N865 PolarHBondContact O-N 2.99Å; T862-N865 PolarHBondContact OG1-N 3.4Å; T862-T866 PolarHBondContact O-N 2.97Å; T862-T866 PolarHBondContact O-OG1 3Å
863	P	58.2	Low	75.8	Confident	113 Å²	113	32.9 Å²	32.9	73%	0.734	20%	0.203	S	C	*	.	H	α-helix	trans	-56.4	-33.3	175.5	-25.7	34	0	0	0	113.7	N865 T866 N867	P863-N865 VanDerWaalsContact C-N 3.34Å; P863-T866 WeakPolarHBondContact O-CB 3.32Å; P863-T866 PolarHBondContact O-N 3.21Å; P863-N867 PolarHBondContact O-N 3.23Å
864	S	59.2	Low	76.1	Confident	48 Å²	48	32.6 Å²	32.6	34%	0.336	20%	0.202	S	C	.	.	H	α-helix	trans	-67.5	-33	174.7	-171.2	0	0	0	0	112.9	R779 T862 S868	R779-S864 WeakPolarHBondContact CD-OG 3.42Å; T862-S864 PolarHBondContact O-N 3.42Å; S864-S868 PolarHBondContact O-N 2.8Å; S864-S868 PolarHBondContact O-OG 2.89Å
865	N	69.5	Low	76.9	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.5	-41.8	174.4	-171.9	-2.9	0	0	0	110.4	Q747 E859 G860 T862 P863 N867 S868 L869	Q747-N865 PolarHBondContact NE2-ND2 3.46Å; E859-N865 HydrophobicContact CB-CB 4.45Å; E859-N865 WeakPolarHBondContact CB-ND2 3.48Å; E859-N865 PolarHBondContact O-ND2 2.93Å; E859-N865 PolarHBondContact OE2-OD1 3.19Å; G860-N865 PolarHBondContact O-ND2 3Å; T862-N865 WeakPolarHBondContact O-CA 3.42Å; T862-N865 VanDerWaalsContact O-CB 3.27Å; T862-N865 WeakPolarHBondContact O-CB 3.43Å; T862-N865 PolarHBondContact O-N 2.99Å; T862-N865 PolarHBondContact OG1-N 3.4Å; P863-N865 VanDerWaalsContact C-N 3.34Å; N865-N867 VanDerWaalsContact C-N 3.33Å; N865-N867 PolarHBondContact O-N 3.14Å; N865-S868 PolarHBondContact O-N 2.99Å; N865-S868 VanDerWaalsContact O-N 3.07Å; N865-L869 WeakPolarHBondContact O-CB 3.46Å; N865-L869 PolarHBondContact O-N 3.42Å
866	T	78.7	Confident	77.8	Confident	39 Å²	39	30.5 Å²	30.5	24%	0.239	19%	0.192	C	C	.	.	H	α-helix	trans	-54.1	-46.2	175.9	-56.1	0	0	0	0	112.2	V749 T862 P863 S868 L869 H870	V749-T866 HydrophobicContact CB-CG2 4.19Å; V749-T866 HydrophobicContact CG1-CG2 4.01Å; V749-T866 HydrophobicContact CG2-CG2 3.51Å; T862-T866 PolarHBondContact O-N 2.97Å; T862-T866 PolarHBondContact O-OG1 3Å; P863-T866 WeakPolarHBondContact O-CB 3.32Å; P863-T866 PolarHBondContact O-N 3.21Å; T866-S868 PolarHBondContact O-N 3.06Å; T866-L869 PolarHBondContact O-N 3.05Å; T866-H870 PolarHBondContact O-N 3.19Å
867	N	84.8	Confident	78.4	Confident	37 Å²	37	30.5 Å²	30.5	20%	0.198	19%	0.192	C	C	.	.	H	α-helix	trans	-61.7	-42.6	177	-73.7	-15.2	0	0	0	112.5	F768 L772 P863 N865 H870 I871	F768-N867 HydrophobicContact CZ-CB 4.47Å; L772-N867 HydrophobicContact CD1-CB 4.01Å; L772-N867 WeakPolarHBondContact CD2-ND2 3.29Å; P863-N867 PolarHBondContact O-N 3.23Å; N865-N867 VanDerWaalsContact C-N 3.33Å; N865-N867 PolarHBondContact O-N 3.14Å; N867-H870 WeakPolarHBondContact O-CB 3.49Å; N867-H870 PolarHBondContact O-N 2.7Å; N867-I871 WeakPolarHBondContact O-CG1 3.41Å; N867-I871 PolarHBondContact O-N 2.98Å
868	S	85.8	Confident	79.4	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-73.8	-32	-176.1	-50.1	0	0	0	0	112	R779 D782 Y852 I856 S864 N865 T866 I871 L872	R779-S868 PolarHBondContact NE-OG 3.04Å; R779-S868 PolarHBondContact NH2-OG 3.32Å; D782-S868 PolarHBondContact OD1-OG 3.38Å; Y852-S868 PolarHBondContact OH-O 2.95Å; Y852-S868 VanDerWaalsContact OH-O 3.05Å; I856-S868 WeakPolarHBondContact CD1-O 3.22Å; S864-S868 PolarHBondContact O-N 2.8Å; S864-S868 PolarHBondContact O-OG 2.89Å; N865-S868 PolarHBondContact O-N 2.99Å; N865-S868 VanDerWaalsContact O-N 3.07Å; T866-S868 PolarHBondContact O-N 3.06Å; S868-I871 PolarHBondContact O-N 3.42Å; S868-L872 WeakPolarHBondContact O-CB 3.38Å; S868-L872 PolarHBondContact O-N 3.49Å
869	L	87.2	Confident	80.9	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-67.6	-37.3	170.5	-176.2	60.2	0	0	0	111.8	Q743 L744 Q747 V749 I856 N865 T866 L872 Y873	Q743-L869 HydrophobicContact CB-CD1 3.88Å; Q743-L869 HydrophobicContact CB-CD2 3.97Å; L744-L869 HydrophobicContact CD2-CD2 4.16Å; L744-L869 HydrophobicContact CD2-CG 3.92Å; Q747-L869 HydrophobicContact CB-CD2 4.11Å; Q747-L869 HydrophobicContact CG-CD2 4.25Å; Q747-L869 VanDerWaalsContact OE1-CD2 3.24Å; V749-L869 HydrophobicContact CB-CD2 4.35Å; V749-L869 HydrophobicContact CG2-CD2 3.79Å; V749-L869 HydrophobicContact CG2-CG 4.46Å; I856-L869 HydrophobicContact CG2-CD1 4.32Å; N865-L869 WeakPolarHBondContact O-CB 3.46Å; N865-L869 PolarHBondContact O-N 3.42Å; T866-L869 PolarHBondContact O-N 3.05Å; L869-L872 HydrophobicContact CD1-CD2 4.01Å; L869-L872 WeakPolarHBondContact O-CB 3.48Å; L869-L872 PolarHBondContact O-N 3.22Å; L869-Y873 PolarHBondContact O-N 2.86Å
870	H	88.1	Confident	82.4	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.2	-45.4	171	-167.3	153.1	0	0	0	110.4	V749 S752 F768 T866 N867 L872 Y873 L874	V749-H870 HydrophobicContact CG1-CB 4.1Å; S752-H870 PolarHBondContact OG-ND1 3.46Å; F768-H870 HydrophobicContact CD1-CB 4.48Å; F768-H870 AromaticContact CD1-CD2 3.79Å; F768-H870 AromaticContact CD1-CE1 3.88Å; F768-H870 AromaticContact CD1-CG 3.83Å; F768-H870 AromaticContact CD1-ND1 3.9Å; F768-H870 AromaticContact CD1-NE2 3.85Å; F768-H870 AromaticContact CD2-CE1 3.86Å; F768-H870 AromaticContact CD2-ND1 3.94Å; F768-H870 HydrophobicContact CE1-CB 3.55Å; F768-H870 AromaticContact CE1-CD2 3.73Å; F768-H870 AromaticContact CE1-CG 3.33Å; F768-H870 AromaticContact CE1-ND1 3.53Å; F768-H870 AromaticContact CE2-CE1 3.97Å; F768-H870 AromaticContact CE2-ND1 3.57Å; F768-H870 AromaticContact CG-CE1 3.83Å; F768-H870 HydrophobicContact CZ-CB 3.69Å; F768-H870 AromaticContact CZ-CG 3.55Å; F768-H870 AromaticContact CZ-ND1 3.35Å; F768-H870 WeakPolarHBondContact CZ-ND1 3.43Å; T866-H870 PolarHBondContact O-N 3.19Å; N867-H870 WeakPolarHBondContact O-CB 3.49Å; N867-H870 PolarHBondContact O-N 2.7Å; H870-L872 VanDerWaalsContact C-N 3.29Å; H870-L872 PolarHBondContact O-N 3.38Å; H870-Y873 WeakPolarHBondContact O-CA 3.42Å; H870-Y873 WeakPolarHBondContact O-CB 3.41Å; H870-Y873 PolarHBondContact O-N 3.33Å; H870-Y873 VanDerWaalsContact O-N 3.08Å; H870-L874 PolarHBondContact O-N 3.4Å
871	I	91.1	Very high	84.2	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.4	-39.4	173.9	-65.6	165.5	0	0	0	111.3	W765 F768 V769 L772 L778 D782 I785 I786 Y852 N867 S868 Y873 L874 C875	W765-I871 HydrophobicContact CH2-CG2 4.47Å; F768-I871 HydrophobicContact CE1-CG1 4.33Å; V769-I871 HydrophobicContact CG2-CG1 4.13Å; L772-I871 HydrophobicContact CD1-CD1 4.26Å; L778-I871 HydrophobicContact CD2-CD1 3.67Å; D782-I871 HydrophobicContact CB-CD1 3.97Å; I785-I871 HydrophobicContact CG2-CG2 4.43Å; I786-I871 HydrophobicContact CD1-CG2 4.22Å; I786-I871 HydrophobicContact CG1-CG2 4.19Å; Y852-I871 WeakPolarHBondContact OH-CG2 3.4Å; N867-I871 WeakPolarHBondContact O-CG1 3.41Å; N867-I871 PolarHBondContact O-N 2.98Å; S868-I871 PolarHBondContact O-N 3.42Å; I871-Y873 VanDerWaalsContact C-N 3.34Å; I871-Y873 PolarHBondContact O-N 3.49Å; I871-L874 PolarHBondContact O-N 3.26Å; I871-C875 WeakPolarHBondContact O-CB 3.47Å; I871-C875 PolarHBondContact O-N 3.18Å; I871-C875 PolarHBondContact O-SG 2.99Å
872	L	92.3	Very high	86.1	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60	-43.5	174	178.6	59.8	0	0	0	111.8	V740 L848 Y852 I856 S868 L869 H870 C875 L876	V740-L872 HydrophobicContact CG2-CD1 4.44Å; V740-L872 HydrophobicContact CG2-CD2 3.73Å; V740-L872 HydrophobicContact CG2-CG 3.85Å; L848-L872 HydrophobicContact CD1-CD1 3.64Å; Y852-L872 HydrophobicContact CD1-CD1 3.74Å; Y852-L872 HydrophobicContact CE1-CB 3.79Å; Y852-L872 HydrophobicContact CE1-CD1 3.85Å; Y852-L872 HydrophobicContact CE1-CG 4.37Å; I856-L872 HydrophobicContact CD1-CB 3.72Å; I856-L872 HydrophobicContact CD1-CD2 3.84Å; I856-L872 HydrophobicContact CD1-CG 4.23Å; I856-L872 HydrophobicContact CG2-CD2 4.38Å; S868-L872 WeakPolarHBondContact O-CB 3.38Å; S868-L872 PolarHBondContact O-N 3.49Å; L869-L872 HydrophobicContact CD1-CD2 4.01Å; L869-L872 WeakPolarHBondContact O-CB 3.48Å; L869-L872 PolarHBondContact O-N 3.22Å; H870-L872 VanDerWaalsContact C-N 3.29Å; H870-L872 PolarHBondContact O-N 3.38Å; L872-C875 PolarHBondContact O-N 3.41Å; L872-L876 WeakPolarHBondContact O-CB 3.49Å; L872-L876 PolarHBondContact O-N 3.13Å
873	Y	91.5	Very high	87.8	Confident	2 Å²	2	11.9 Å²	11.9	1%	0.008	8%	0.075	C	C	.	.	H	α-helix	trans	-61.5	-46.4	174.8	168.1	-99.7	0	0	0	111.6	L744 V753 L869 H870 I871 C875 L876 M877 L898 N899 I902	L744-Y873 HydrophobicContact CD1-CD2 3.72Å; L744-Y873 HydrophobicContact CD1-CE2 4.47Å; L744-Y873 HydrophobicContact CD1-CG 4.16Å; V753-Y873 HydrophobicContact CG1-CD1 3.84Å; V753-Y873 HydrophobicContact CG1-CE1 3.5Å; V753-Y873 VanDerWaalsContact CG1-CE1 3.5Å; V753-Y873 HydrophobicContact CG2-CD1 4.34Å; L869-Y873 PolarHBondContact O-N 2.86Å; H870-Y873 WeakPolarHBondContact O-CA 3.42Å; H870-Y873 WeakPolarHBondContact O-CB 3.41Å; H870-Y873 PolarHBondContact O-N 3.33Å; H870-Y873 VanDerWaalsContact O-N 3.08Å; I871-Y873 VanDerWaalsContact C-N 3.34Å; I871-Y873 PolarHBondContact O-N 3.49Å; Y873-C875 VanDerWaalsContact C-N 3.35Å; Y873-C875 PolarHBondContact O-N 3.37Å; Y873-L876 WeakPolarHBondContact O-CB 3.16Å; Y873-L876 PolarHBondContact O-N 3.06Å; Y873-M877 HydrophobicContact CD1-CG 4.36Å; Y873-M877 HydrophobicContact CD2-CG 4.06Å; Y873-M877 HydrophobicContact CE1-CG 3.86Å; Y873-M877 HydrophobicContact CE2-CG 3.53Å; Y873-M877 HydrophobicContact CE2-SD 3.81Å; Y873-M877 HydrophobicContact CG-CG 4.45Å; Y873-M877 VanDerWaalsContact CZ-CG 3.41Å; Y873-M877 WeakPolarHBondContact O-CG 3.23Å; Y873-M877 PolarHBondContact O-N 2.92Å; Y873-L898 HydrophobicContact CE2-CB 4.4Å; Y873-N899 PolarHBondContact OH-OD1 3.18Å; Y873-I902 HydrophobicContact CE1-CD1 4.17Å; Y873-I902 HydrophobicContact CE2-CD1 3.55Å; Y873-I902 WeakPolarHBondContact OH-CD1 3.32Å
874	L	93.3	Very high	89.7	Confident	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-63.5	-40	177.1	-65.9	174.2	0	0	0	111.9	L761 Q764 W765 F768 V769 H870 I871 M877 T878	L761-L874 HydrophobicContact CD1-CD2 3.99Å; Q764-L874 HydrophobicContact CB-CD2 3.92Å; W765-L874 HydrophobicContact CD2-CB 4.28Å; W765-L874 HydrophobicContact CD2-CD1 4.3Å; W765-L874 HydrophobicContact CE3-CD1 4.27Å; W765-L874 HydrophobicContact CH2-CB 3.88Å; W765-L874 HydrophobicContact CZ2-CB 3.53Å; W765-L874 HydrophobicContact CZ3-CB 4.38Å; F768-L874 HydrophobicContact CD1-CD1 4.11Å; V769-L874 HydrophobicContact CG2-CD1 3.72Å; H870-L874 PolarHBondContact O-N 3.4Å; I871-L874 PolarHBondContact O-N 3.26Å; L874-M877 PolarHBondContact O-N 3.27Å; L874-T878 WeakPolarHBondContact O-CB 3.41Å; L874-T878 PolarHBondContact O-N 3.4Å; L874-T878 PolarHBondContact O-OG1 3.13Å
875	C	95.7	Very high	91.5	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-59.7	-46.8	173.2	-70.2	0	0	0	0	111	L789 W843 L848 I871 L872 Y873 T878 G879	L789-C875 HydrophobicContact CD2-CB 4.47Å; W843-C875 HydrophobicContact CH2-CB 4.32Å; W843-C875 WeakPolarHBondContact CH2-O 3.02Å; W843-C875 HydrophobicContact CZ2-CB 4.27Å; L848-C875 HydrophobicContact CD1-CB 4.16Å; I871-C875 WeakPolarHBondContact O-CB 3.47Å; I871-C875 PolarHBondContact O-N 3.18Å; I871-C875 PolarHBondContact O-SG 2.99Å; L872-C875 PolarHBondContact O-N 3.41Å; Y873-C875 VanDerWaalsContact C-N 3.35Å; Y873-C875 PolarHBondContact O-N 3.37Å; C875-T878 PolarHBondContact O-N 3.38Å; C875-G879 PolarHBondContact O-N 2.76Å
876	L	95.1	Very high	92.8	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-60.7	-48.5	178.2	178.4	69.1	0	0	0	111.5	T736 A737 V740 W844 L872 Y873 G879 I880 L898	T736-L876 HydrophobicContact CG2-CD1 4.22Å; A737-L876 HydrophobicContact CB-CD2 4.22Å; V740-L876 HydrophobicContact CB-CD2 3.8Å; V740-L876 HydrophobicContact CG1-CD2 3.88Å; V740-L876 HydrophobicContact CG2-CD2 3.99Å; W844-L876 HydrophobicContact CH2-CD1 3.3Å; W844-L876 HydrophobicContact CZ2-CD1 3.63Å; W844-L876 HydrophobicContact CZ3-CD1 4.24Å; L872-L876 WeakPolarHBondContact O-CB 3.49Å; L872-L876 PolarHBondContact O-N 3.13Å; Y873-L876 WeakPolarHBondContact O-CB 3.16Å; Y873-L876 PolarHBondContact O-N 3.06Å; L876-G879 PolarHBondContact O-N 3.07Å; L876-I880 HydrophobicContact CD1-CD1 4.41Å; L876-I880 HydrophobicContact CG-CD1 4.09Å; L876-I880 WeakPolarHBondContact O-CG1 3.36Å; L876-I880 PolarHBondContact O-N 2.92Å; L876-L898 HydrophobicContact CD2-CD1 3.62Å; L876-L898 HydrophobicContact CD2-CD2 4.08Å; L876-L898 HydrophobicContact CG-CD1 4.13Å
877	M	93.7	Very high	93.7	Very high	5 Å²	5	2.5 Å²	2.5	3%	0.025	1%	0.013	C	C	.	.	H	α-helix	trans	-61.6	-44	178.1	-70.3	-60.2	-75	0	0	111.6	L761 Y873 L874 I880 H881 W895 L898 N899	L761-M877 HydrophobicContact CD1-CB 4.01Å; L761-M877 HydrophobicContact CD2-CB 4.45Å; Y873-M877 HydrophobicContact CD1-CG 4.36Å; Y873-M877 HydrophobicContact CD2-CG 4.06Å; Y873-M877 HydrophobicContact CE1-CG 3.86Å; Y873-M877 HydrophobicContact CE2-CG 3.53Å; Y873-M877 HydrophobicContact CE2-SD 3.81Å; Y873-M877 HydrophobicContact CG-CG 4.45Å; Y873-M877 VanDerWaalsContact CZ-CG 3.41Å; Y873-M877 WeakPolarHBondContact O-CG 3.23Å; Y873-M877 PolarHBondContact O-N 2.92Å; L874-M877 PolarHBondContact O-N 3.27Å; M877-I880 WeakPolarHBondContact O-CB 3.25Å; M877-I880 PolarHBondContact O-N 3.28Å; M877-I880 HydrophobicContact SD-CD1 4.43Å; M877-H881 PolarHBondContact O-N 3.47Å; M877-H881 PolarHBondContact O-ND1 3.41Å; M877-W895 HydrophobicContact CE-CG 4.29Å; M877-L898 HydrophobicContact SD-CB 4.15Å; M877-L898 HydrophobicContact SD-CD1 3.74Å; M877-N899 WeakPolarHBondContact CE-OD1 3.42Å
878	T	96.2	Very high	94.2	Very high	0 Å²	0	0.7 Å²	0.7	0%	0	0%	0.003	C	C	.	.	H	α-helix	trans	-62.8	-43.7	176.4	-50.2	0	0	0	0	111	W765 L789 I793 L874 C875 I880 H881 I882 P922	W765-T878 PolarHBondContact NE1-OG1 3.47Å; L789-T878 HydrophobicContact CD1-CG2 3.96Å; L789-T878 HydrophobicContact CD2-CG2 3.93Å; L789-T878 HydrophobicContact CG-CG2 4.21Å; I793-T878 HydrophobicContact CD1-CG2 4Å; L874-T878 WeakPolarHBondContact O-CB 3.41Å; L874-T878 PolarHBondContact O-N 3.4Å; L874-T878 PolarHBondContact O-OG1 3.13Å; C875-T878 PolarHBondContact O-N 3.38Å; T878-I880 PolarHBondContact O-N 3.29Å; T878-H881 PolarHBondContact O-N 2.92Å; T878-I882 HydrophobicContact CG2-CD1 4.22Å; T878-I882 VanDerWaalsContact O-CG1 3.31Å; T878-I882 WeakPolarHBondContact O-CG1 3.29Å; T878-I882 PolarHBondContact O-N 3.47Å; T878-P922 HydrophobicContact CG2-CB 3.73Å; T878-P922 HydrophobicContact CG2-CG 3.65Å
879	G	96.5	Very high	94.8	Very high	0 Å²	0	1.1 Å²	1.1	0%	0	1%	0.005	C	C	.	.	H	α-helix	trans	-56.6	-47	172.1	0	0	0	0	0	112	C875 L876 H881 I882 F883	C875-G879 PolarHBondContact O-N 2.76Å; L876-G879 PolarHBondContact O-N 3.07Å; G879-H881 VanDerWaalsContact C-N 3.29Å; G879-H881 PolarHBondContact O-N 3.2Å; G879-I882 WeakPolarHBondContact O-CB 3.47Å; G879-I882 PolarHBondContact O-N 3.46Å; G879-I882 VanDerWaalsContact O-N 3.09Å; G879-F883 VanDerWaalsContact O-CD2 3.23Å; G879-F883 WeakPolarHBondContact O-CD2 3.5Å; G879-F883 PolarHBondContact O-N 3.25Å
880	I	96.9	Very high	95.3	Very high	0 Å²	0	1.1 Å²	1.1	0%	0	1%	0.005	C	C	.	.	H	α-helix	trans	-57.1	-41.6	176.9	-73	165.8	0	0	0	111.9	W844 L876 M877 T878 F883 H884 T891 L894 W895 L898 L916	W844-I880 HydrophobicContact CH2-CG1 4.48Å; L876-I880 HydrophobicContact CD1-CD1 4.41Å; L876-I880 HydrophobicContact CG-CD1 4.09Å; L876-I880 WeakPolarHBondContact O-CG1 3.36Å; L876-I880 PolarHBondContact O-N 2.92Å; M877-I880 WeakPolarHBondContact O-CB 3.25Å; M877-I880 PolarHBondContact O-N 3.28Å; M877-I880 HydrophobicContact SD-CD1 4.43Å; T878-I880 PolarHBondContact O-N 3.29Å; I880-F883 PolarHBondContact O-N 3.4Å; I880-H884 PolarHBondContact O-N 2.85Å; I880-T891 HydrophobicContact CG2-CG2 4.33Å; I880-T891 WeakPolarHBondContact CG2-O 3.38Å; I880-T891 WeakPolarHBondContact O-CG2 3.49Å; I880-L894 HydrophobicContact CD1-CB 3.81Å; I880-L894 HydrophobicContact CD1-CD1 4.47Å; I880-L894 HydrophobicContact CG1-CB 4.32Å; I880-L894 HydrophobicContact CG1-CD1 4.42Å; I880-W895 HydrophobicContact CG2-CB 4.07Å; I880-L898 HydrophobicContact CD1-CD1 3.42Å; I880-L898 VanDerWaalsContact CD1-CD1 3.42Å; I880-L916 HydrophobicContact CG2-CD2 3.59Å
881	H	96.5	Very high	95.7	Very high	4 Å²	4	1.1 Å²	1.1	2%	0.019	1%	0.005	C	C	.	.	H	α-helix	trans	-64.8	-44	174.9	-70.1	61.5	0	0	0	111.6	M131 M877 T878 G879 F883 H884 W895 L916 Q919 Y921 P922	M131-H881 HydrophobicContact CE-CB 4.46Å; M877-H881 PolarHBondContact O-N 3.47Å; M877-H881 PolarHBondContact O-ND1 3.41Å; T878-H881 PolarHBondContact O-N 2.92Å; G879-H881 VanDerWaalsContact C-N 3.29Å; G879-H881 PolarHBondContact O-N 3.2Å; H881-F883 VanDerWaalsContact C-N 3.31Å; H881-F883 PolarHBondContact O-N 2.93Å; H881-H884 WeakPolarHBondContact O-CB 3.43Å; H881-H884 PolarHBondContact O-N 3.43Å; H881-W895 AromaticContact CE1-CD1 3.84Å; H881-W895 AromaticContact CE1-NE1 3.77Å; H881-L916 HydrophobicContact CB-CD1 4.47Å; H881-L916 VanDerWaalsContact CD2-CD1 3.48Å; H881-L916 WeakPolarHBondContact CD2-CD1 3.36Å; H881-L916 VanDerWaalsContact CE1-CD1 3.45Å; H881-L916 WeakPolarHBondContact CE1-CD1 3.23Å; H881-L916 WeakPolarHBondContact NE2-CD1 3.37Å; H881-Q919 WeakPolarHBondContact NE2-CB 3.31Å; H881-Y921 VanDerWaalsContact O-CE2 3.3Å; H881-Y921 WeakPolarHBondContact O-CE2 3.35Å; H881-P922 HydrophobicContact CB-CG 3.69Å
882	I	96.3	Very high	96	Very high	1 Å²	1	1.1 Å²	1.1	1%	0.005	1%	0.005	C	C	.	.	H	α-helix	trans	-57.9	-43.7	178.8	-70.9	170.3	0	0	0	111.2	L789 L792 I793 I796 M840 T878 G879 P885 Y921 P922	L789-I882 HydrophobicContact CD1-CD1 3.75Å; L792-I882 HydrophobicContact CD2-CD1 3.92Å; L792-I882 HydrophobicContact CD2-CG2 4.44Å; L792-I882 HydrophobicContact CG-CD1 4.25Å; I793-I882 HydrophobicContact CD1-CD1 4.48Å; I793-I882 HydrophobicContact CG1-CD1 3.66Å; I793-I882 HydrophobicContact CG1-CG1 4.36Å; I796-I882 HydrophobicContact CG1-CG2 3.97Å; M840-I882 HydrophobicContact CE-CG2 3.37Å; M840-I882 WeakPolarHBondContact CE-O 3.44Å; M840-I882 HydrophobicContact CG-CG2 3.8Å; M840-I882 HydrophobicContact SD-CG2 3.91Å; T878-I882 HydrophobicContact CG2-CD1 4.22Å; T878-I882 VanDerWaalsContact O-CG1 3.31Å; T878-I882 WeakPolarHBondContact O-CG1 3.29Å; T878-I882 PolarHBondContact O-N 3.47Å; G879-I882 WeakPolarHBondContact O-CB 3.47Å; G879-I882 PolarHBondContact O-N 3.46Å; G879-I882 VanDerWaalsContact O-N 3.09Å; I882-P885 WeakPolarHBondContact O-CD 3.49Å; I882-Y921 WeakPolarHBondContact CA-OH 3.46Å; I882-Y921 PolarHBondContact O-OH 2.86Å; I882-P922 HydrophobicContact CG1-CB 4.28Å; I882-P922 HydrophobicContact CG1-CG 3.99Å
883	F	97.5	Very high	96.1	Very high	1 Å²	1	1.1 Å²	1.1	0%	0.004	1%	0.005	C	C	.	.	H	α-helix	trans	-78.7	-14.3	-178.6	-82.3	-97.5	0	0	0	114.2	F729 M733 M840 W844 G879 I880 H881 P885 I886 M887 T891	F729-F883 HydrophobicContact CE1-CD1 4.26Å; F729-F883 AromaticContact CE1-CE1 3.37Å; F729-F883 HydrophobicContact CE1-CE1 3.37Å; F729-F883 AromaticContact CE1-CZ 3.8Å; F729-F883 HydrophobicContact CE1-CZ 3.8Å; F729-F883 AromaticContact CZ-CE1 3.63Å; F729-F883 HydrophobicContact CZ-CE1 3.63Å; F729-F883 AromaticContact CZ-CZ 3.52Å; F729-F883 HydrophobicContact CZ-CZ 3.52Å; M733-F883 HydrophobicContact CE-CB 4.08Å; M733-F883 HydrophobicContact CE-CD1 4.08Å; M733-F883 HydrophobicContact CE-CD2 4.08Å; M733-F883 HydrophobicContact CE-CE1 4.5Å; M733-F883 HydrophobicContact CE-CE2 4.47Å; M733-F883 HydrophobicContact CE-CG 3.82Å; M733-F883 HydrophobicContact SD-CD1 4.14Å; M733-F883 HydrophobicContact SD-CE1 4.24Å; M733-F883 HydrophobicContact SD-CG 4.49Å; M840-F883 HydrophobicContact CB-CE1 3.8Å; M840-F883 HydrophobicContact CB-CE2 3.81Å; M840-F883 HydrophobicContact CB-CZ 3.42Å; M840-F883 VanDerWaalsContact CB-CZ 3.42Å; M840-F883 HydrophobicContact CG-CD2 4.41Å; M840-F883 HydrophobicContact CG-CE1 4.4Å; M840-F883 HydrophobicContact CG-CE2 4.07Å; M840-F883 HydrophobicContact CG-CZ 4.11Å; M840-F883 HydrophobicContact SD-CD1 3.95Å; M840-F883 HydrophobicContact SD-CD2 4.17Å; M840-F883 HydrophobicContact SD-CE1 4.05Å; M840-F883 HydrophobicContact SD-CE2 4.32Å; M840-F883 HydrophobicContact SD-CG 4.04Å; M840-F883 HydrophobicContact SD-CZ 4.3Å; W844-F883 HydrophobicContact CB-CZ 4.4Å; W844-F883 HydrophobicContact CE3-CD2 4.32Å; W844-F883 AromaticContact CE3-CE2 3.76Å; W844-F883 HydrophobicContact CE3-CE2 3.76Å; W844-F883 HydrophobicContact CE3-CZ 4.37Å; W844-F883 HydrophobicContact CZ3-CE2 4.38Å; G879-F883 VanDerWaalsContact O-CD2 3.23Å; G879-F883 WeakPolarHBondContact O-CD2 3.5Å; G879-F883 PolarHBondContact O-N 3.25Å; I880-F883 PolarHBondContact O-N 3.4Å; H881-F883 VanDerWaalsContact C-N 3.31Å; H881-F883 PolarHBondContact O-N 2.93Å; F883-P885 VanDerWaalsContact C-CD 3.47Å; F883-I886 HydrophobicContact CD1-CD1 3.9Å; F883-I886 HydrophobicContact CD1-CG1 4.35Å; F883-I886 HydrophobicContact CE1-CD1 4.43Å; F883-I886 WeakPolarHBondContact O-CG1 3.28Å; F883-I886 PolarHBondContact O-N 2.92Å; F883-M887 HydrophobicContact CD1-CE 4.29Å; F883-M887 HydrophobicContact CD1-SD 4Å; F883-M887 HydrophobicContact CE1-CE 4.46Å; F883-M887 PolarHBondContact O-N 3.04Å; F883-T891 HydrophobicContact CB-CG2 3.7Å
884	H	97.7	Very high	96.3	Very high	0 Å²	0	1 Å²	1	0%	0	1%	0.005	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-39.4	-172.8	-172.3	67.6	0	0	0	115	M131 I880 H881 I886 P888 T891 E892 L916	M131-H884 HydrophobicContact CE-CB 4.1Å; M131-H884 HydrophobicContact SD-CB 4.13Å; I880-H884 PolarHBondContact O-N 2.85Å; H881-H884 WeakPolarHBondContact O-CB 3.43Å; H881-H884 PolarHBondContact O-N 3.43Å; H884-I886 PolarHBondContact O-N 3.46Å; H884-I886 VanDerWaalsContact O-N 3.15Å; H884-P888 VanDerWaalsContact O-CA 3.3Å; H884-P888 WeakPolarHBondContact O-CA 3.49Å; H884-P888 WeakPolarHBondContact O-CB 3.41Å; H884-T891 WeakPolarHBondContact CA-OG1 3.31Å; H884-T891 PolarHBondContact ND1-OG1 3.27Å; H884-E892 IonicContact CE1-OE2 2.78Å; H884-L916 HydrophobicContact CB-CD2 3.81Å; H884-L916 HydrophobicContact CB-CG 4.15Å; H884-L916 WeakPolarHBondContact ND1-CD2 3.28Å
885	P	96.8	Very high	96.3	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.008	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-21	177.3	-23.6	34.9	0	0	0	114.4	R127 C128 M131 R703 W800 I882 F883 Y921	R127-P885 HydrophobicContact CB-CB 3.91Å; R127-P885 HydrophobicContact CB-CG 4.35Å; C128-P885 VanDerWaalsContact SG-CB 3.58Å; C128-P885 WeakPolarHBondContact SG-CG 3.35Å; M131-P885 HydrophobicContact SD-CG 4.12Å; R703-P885 PolarHBondContact NH2-O 2.83Å; W800-P885 HydrophobicContact CZ3-CB 4.05Å; W800-P885 HydrophobicContact CZ3-CG 4.38Å; I882-P885 WeakPolarHBondContact O-CD 3.49Å; F883-P885 VanDerWaalsContact C-CD 3.47Å; P885-Y921 HydrophobicContact CG-CE2 3.93Å
886	I	96.4	Very high	96.1	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.008	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-31.9	-178.1	59.9	163.5	0	0	0	113.8	A124 R703 A704 L707 W800 V837 M840 F883 H884 P888	A124-I886 HydrophobicContact CB-CG2 4.39Å; R703-I886 WeakPolarHBondContact CB-O 3.41Å; R703-I886 PolarHBondContact NE-O 3.1Å; A704-I886 HydrophobicContact CB-CD1 4.48Å; L707-I886 HydrophobicContact CD1-CB 4.24Å; L707-I886 HydrophobicContact CD1-CG2 3.33Å; W800-I886 HydrophobicContact CH2-CB 4.29Å; W800-I886 HydrophobicContact CH2-CD1 4.16Å; W800-I886 HydrophobicContact CH2-CG1 4.16Å; W800-I886 HydrophobicContact CH2-CG2 3.19Å; W800-I886 HydrophobicContact CZ2-CG2 4.07Å; W800-I886 HydrophobicContact CZ3-CG2 3.61Å; V837-I886 HydrophobicContact CG2-CD1 4.33Å; M840-I886 HydrophobicContact SD-CD1 3.86Å; F883-I886 HydrophobicContact CD1-CD1 3.9Å; F883-I886 HydrophobicContact CD1-CG1 4.35Å; F883-I886 HydrophobicContact CE1-CD1 4.43Å; F883-I886 WeakPolarHBondContact O-CG1 3.28Å; F883-I886 PolarHBondContact O-N 2.92Å; H884-I886 PolarHBondContact O-N 3.46Å; H884-I886 VanDerWaalsContact O-N 3.15Å; I886-P888 VanDerWaalsContact C-CD 3.42Å; I886-P888 WeakPolarHBondContact O-CD 3.49Å
887	M	97.6	Very high	95.8	Very high	2 Å²	2	1.9 Å²	1.9	1%	0.01	1%	0.008	C	C	.	.			trans	-126.1	61.8	-179.4	-63.4	177.7	-172.8	0	0	110.5	D700 A704 F729 M733 F883 H889 L890 T891	D700-M887 HydrophobicContact CB-CB 3.96Å; D700-M887 HydrophobicContact CB-CG 4.01Å; D700-M887 VanDerWaalsContact CG-CA 3.42Å; D700-M887 WeakPolarHBondContact OD2-CA 3.3Å; A704-M887 HydrophobicContact CB-CE 3.27Å; A704-M887 HydrophobicContact CB-CG 4.34Å; F729-M887 HydrophobicContact CD1-CE 3.86Å; F729-M887 HydrophobicContact CE1-CE 4.01Å; M733-M887 HydrophobicContact SD-SD 3.87Å; F883-M887 HydrophobicContact CD1-CE 4.29Å; F883-M887 HydrophobicContact CD1-SD 4Å; F883-M887 HydrophobicContact CE1-CE 4.46Å; F883-M887 PolarHBondContact O-N 3.04Å; M887-H889 VanDerWaalsContact C-N 3.31Å; M887-H889 PolarHBondContact O-N 3.24Å; M887-L890 HydrophobicContact CB-CB 4.47Å; M887-L890 HydrophobicContact SD-CD2 4.23Å; M887-T891 HydrophobicContact CB-CG2 4.32Å; M887-T891 WeakPolarHBondContact O-CB 3.48Å; M887-T891 VanDerWaalsContact O-CG2 3.3Å; M887-T891 WeakPolarHBondContact O-CG2 3.38Å; M887-T891 PolarHBondContact O-N 3.24Å; M887-T891 VanDerWaalsContact O-N 3.08Å; M887-T891 PolarHBondContact O-OG1 3.41Å
888	P	97	Very high	95.5	Very high	0 Å²	0	1.8 Å²	1.8	0%	0	1%	0.008	C	C	.	.	H	α-helix	trans	-66.1	-30	-169.3	26.5	-36	0	0	0	113.3	W77 D700 R703 H884 I886 T891 E892	W77-P888 HydrophobicContact CH2-CB 3.87Å; W77-P888 HydrophobicContact CH2-CG 4.29Å; W77-P888 HydrophobicContact CZ2-CB 4.03Å; D700-P888 WeakPolarHBondContact OD1-CD 3.38Å; R703-P888 VanDerWaalsContact CZ-CD 3.47Å; H884-P888 VanDerWaalsContact O-CA 3.3Å; H884-P888 WeakPolarHBondContact O-CA 3.49Å; H884-P888 WeakPolarHBondContact O-CB 3.41Å; I886-P888 VanDerWaalsContact C-CD 3.42Å; I886-P888 WeakPolarHBondContact O-CD 3.49Å; P888-T891 PolarHBondContact O-OG1 2.99Å; P888-E892 WeakPolarHBondContact O-CB 3.36Å; P888-E892 PolarHBondContact O-N 2.79Å
889	H	97.5	Very high	94.9	Very high	9 Å²	9	2 Å²	2	4%	0.042	1%	0.009	C	C	.	.	H	α-helix	trans	-75.1	-50.7	-178.4	-55.3	93.8	0	0	0	111.6	V67 E68 W77 D700 M887 V893	V67-H889 HydrophobicContact CG1-CB 4.34Å; E68-H889 HydrophobicContact CB-CB 4.28Å; E68-H889 HydrophobicContact CG-CB 3.75Å; W77-H889 AromaticContact CH2-CD2 3.99Å; D700-H889 IonicContact OD1-CE1 3.32Å; D700-H889 IonicContact OD1-CG 3.69Å; D700-H889 PolarHBondContact OD1-N 3.23Å; D700-H889 IonicContact OD1-ND1 3.08Å; D700-H889 PolarHBondContact OD1-ND1 3.22Å; D700-H889 PolarHBondContact OD2-N 3.01Å; D700-H889 VanDerWaalsContact OD2-N 3.13Å; M887-H889 VanDerWaalsContact C-N 3.31Å; M887-H889 PolarHBondContact O-N 3.24Å; H889-V893 WeakPolarHBondContact O-CG2 3.45Å; H889-V893 PolarHBondContact O-N 3.45Å; H889-V893 VanDerWaalsContact O-N 3.09Å
890	L	97.6	Very high	93.9	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-59.6	-51	178.9	174.3	63.8	0	0	0	110.1	Y62 D700 C730 M733 W734 M887 E892 V893 L894	Y62-L890 HydrophobicContact CD2-CD1 3.79Å; Y62-L890 HydrophobicContact CE2-CB 4.49Å; Y62-L890 HydrophobicContact CE2-CD1 3.87Å; Y62-L890 HydrophobicContact CG-CD1 4.46Å; D700-L890 VanDerWaalsContact OD2-CB 3.28Å; D700-L890 WeakPolarHBondContact OD2-CB 3.47Å; D700-L890 PolarHBondContact OD2-N 3.3Å; C730-L890 HydrophobicContact CB-CD2 3.71Å; M733-L890 HydrophobicContact CB-CD2 4.3Å; M733-L890 HydrophobicContact SD-CD2 3.96Å; W734-L890 HydrophobicContact CE3-CD1 3.84Å; W734-L890 HydrophobicContact CZ3-CD1 4.39Å; M887-L890 HydrophobicContact CB-CB 4.47Å; M887-L890 HydrophobicContact SD-CD2 4.23Å; L890-E892 PolarHBondContact O-N 2.94Å; L890-V893 PolarHBondContact O-N 3.43Å; L890-L894 HydrophobicContact CD1-CD1 3.98Å; L890-L894 HydrophobicContact CD1-CD2 4.32Å; L890-L894 HydrophobicContact CD1-CG 3.93Å; L890-L894 HydrophobicContact CG-CD1 4Å; L890-L894 HydrophobicContact CG-CG 4.26Å; L890-L894 WeakPolarHBondContact O-CB 3.37Å; L890-L894 VanDerWaalsContact O-CG 3.23Å; L890-L894 WeakPolarHBondContact O-CG 3.31Å; L890-L894 PolarHBondContact O-N 3.16Å
891	T	97.4	Very high	92.7	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-65.2	-38.9	-176.4	53.4	0	0	0	0	112.6	I880 F883 H884 M887 P888 L894 W895	I880-T891 HydrophobicContact CG2-CG2 4.33Å; I880-T891 WeakPolarHBondContact CG2-O 3.38Å; I880-T891 WeakPolarHBondContact O-CG2 3.49Å; F883-T891 HydrophobicContact CB-CG2 3.7Å; H884-T891 WeakPolarHBondContact CA-OG1 3.31Å; H884-T891 PolarHBondContact ND1-OG1 3.27Å; M887-T891 HydrophobicContact CB-CG2 4.32Å; M887-T891 WeakPolarHBondContact O-CB 3.48Å; M887-T891 VanDerWaalsContact O-CG2 3.3Å; M887-T891 WeakPolarHBondContact O-CG2 3.38Å; M887-T891 PolarHBondContact O-N 3.24Å; M887-T891 VanDerWaalsContact O-N 3.08Å; M887-T891 PolarHBondContact O-OG1 3.41Å; P888-T891 PolarHBondContact O-OG1 2.99Å; T891-L894 PolarHBondContact O-N 3.08Å; T891-W895 VanDerWaalsContact O-CB 3.25Å; T891-W895 WeakPolarHBondContact O-CB 3.38Å; T891-W895 PolarHBondContact O-N 3.42Å
892	E	95.5	Very high	91.2	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-60.7	-48.6	174.2	-169.5	77.8	-95.4	0	0	111	W53 W77 H884 P888 L890 L894 W895 H896 S915 L916	W53-E892 HydrophobicContact CH2-CG 3.96Å; W53-E892 HydrophobicContact CZ3-CG 4.11Å; W77-E892 PolarHBondContact NE1-OE2 2.99Å; H884-E892 IonicContact CE1-OE2 2.78Å; P888-E892 WeakPolarHBondContact O-CB 3.36Å; P888-E892 PolarHBondContact O-N 2.79Å; L890-E892 PolarHBondContact O-N 2.94Å; E892-L894 PolarHBondContact O-N 2.78Å; E892-W895 PolarHBondContact O-N 2.85Å; E892-H896 PolarHBondContact O-CD2 2.93Å; E892-H896 VanDerWaalsContact O-CD2 3.27Å; E892-H896 PolarHBondContact O-N 3.26Å; E892-H896 IonicContact OE1-CD2 2.94Å; E892-H896 IonicContact OE1-NE2 2.72Å; E892-S915 WeakPolarHBondContact OE1-CA 3.28Å; E892-S915 PolarHBondContact OE2-OG 3.41Å; E892-L916 VanDerWaalsContact OE1-CB 3.31Å; E892-L916 WeakPolarHBondContact OE1-CB 3.26Å; E892-L916 PolarHBondContact OE1-N 2.71Å
893	V	95.3	Very high	89.5	Confident	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-64.7	-40.3	177.8	173.1	0	0	0	0	112.2	W53 I55 V67 L72 W734 H889 L890 W895 G897	W53-V893 HydrophobicContact CE3-CG2 4.22Å; W53-V893 HydrophobicContact CZ3-CG2 3.85Å; I55-V893 HydrophobicContact CB-CG1 4.12Å; V67-V893 HydrophobicContact CG1-CB 4.14Å; V67-V893 HydrophobicContact CG1-CG2 3.89Å; V67-V893 HydrophobicContact CG2-CG1 4.43Å; L72-V893 HydrophobicContact CD2-CG2 3.46Å; L72-V893 VanDerWaalsContact CD2-CG2 3.46Å; L72-V893 HydrophobicContact CG-CG2 4.46Å; W734-V893 HydrophobicContact CH2-CG1 4.23Å; W734-V893 HydrophobicContact CZ3-CG1 4.01Å; H889-V893 WeakPolarHBondContact O-CG2 3.45Å; H889-V893 PolarHBondContact O-N 3.45Å; H889-V893 VanDerWaalsContact O-N 3.09Å; L890-V893 PolarHBondContact O-N 3.43Å; V893-W895 VanDerWaalsContact C-N 3.34Å; V893-G897 PolarHBondContact O-N 3.44Å
894	L	95.2	Very high	87.4	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.8	-41.8	175.7	-69.5	-174.1	0	0	0	111.3	L56 M733 W734 A737 I880 L890 T891 E892 G897 L898	L56-L894 HydrophobicContact CD1-CD2 3.55Å; L56-L894 HydrophobicContact CD2-CD2 4.34Å; L56-L894 HydrophobicContact CG-CD2 4.48Å; M733-L894 HydrophobicContact CB-CD1 4.32Å; W734-L894 HydrophobicContact CD2-CD2 4.4Å; W734-L894 HydrophobicContact CE3-CD2 3.65Å; W734-L894 HydrophobicContact CZ3-CD2 4.03Å; A737-L894 HydrophobicContact CB-CD1 4.35Å; A737-L894 HydrophobicContact CB-CD2 3.78Å; I880-L894 HydrophobicContact CD1-CB 3.81Å; I880-L894 HydrophobicContact CD1-CD1 4.47Å; I880-L894 HydrophobicContact CG1-CB 4.32Å; I880-L894 HydrophobicContact CG1-CD1 4.42Å; L890-L894 HydrophobicContact CD1-CD1 3.98Å; L890-L894 HydrophobicContact CD1-CD2 4.32Å; L890-L894 HydrophobicContact CD1-CG 3.93Å; L890-L894 HydrophobicContact CG-CD1 4Å; L890-L894 HydrophobicContact CG-CG 4.26Å; L890-L894 WeakPolarHBondContact O-CB 3.37Å; L890-L894 VanDerWaalsContact O-CG 3.23Å; L890-L894 WeakPolarHBondContact O-CG 3.31Å; L890-L894 PolarHBondContact O-N 3.16Å; T891-L894 PolarHBondContact O-N 3.08Å; E892-L894 PolarHBondContact O-N 2.78Å; L894-G897 PolarHBondContact O-N 2.84Å; L894-L898 WeakPolarHBondContact O-CB 3.31Å; L894-L898 WeakPolarHBondContact O-CD1 3.33Å; L894-L898 WeakPolarHBondContact O-CG 3.4Å; L894-L898 PolarHBondContact O-N 3.18Å
895	W	93.5	Very high	85	Confident	17 Å²	17	20.4 Å²	20.4	6%	0.064	9%	0.09	C	C	.	.	H	α-helix	trans	-62.4	-51.6	178.9	-176.8	83.7	0	0	0	111.6	M877 I880 H881 T891 E892 V893 L898 N899 N914 L916 Q919	M877-W895 HydrophobicContact CE-CG 4.29Å; I880-W895 HydrophobicContact CG2-CB 4.07Å; H881-W895 AromaticContact CE1-CD1 3.84Å; H881-W895 AromaticContact CE1-NE1 3.77Å; T891-W895 VanDerWaalsContact O-CB 3.25Å; T891-W895 WeakPolarHBondContact O-CB 3.38Å; T891-W895 PolarHBondContact O-N 3.42Å; E892-W895 PolarHBondContact O-N 2.85Å; V893-W895 VanDerWaalsContact C-N 3.34Å; W895-L898 PolarHBondContact O-N 3.15Å; W895-N899 VanDerWaalsContact CZ2-ND2 3.3Å; W895-N899 WeakPolarHBondContact CZ2-ND2 3.47Å; W895-N899 PolarHBondContact NE1-ND2 3.33Å; W895-N899 PolarHBondContact O-N 2.87Å; W895-N899 PolarHBondContact O-ND2 2.81Å; W895-N914 HydrophobicContact CH2-CB 3.8Å; W895-N914 HydrophobicContact CZ3-CB 4.18Å; W895-L916 HydrophobicContact CB-CB 4.45Å; W895-L916 HydrophobicContact CB-CD2 4.09Å; W895-L916 HydrophobicContact CD2-CB 4.26Å; W895-L916 HydrophobicContact CG-CB 4.23Å; W895-L916 HydrophobicContact CG-CD1 4.07Å; W895-L916 HydrophobicContact CG-CD2 4.38Å; W895-L916 HydrophobicContact CG-CG 4.48Å; W895-Q919 HydrophobicContact CZ2-CG 4.01Å
896	H	91.2	Very high	82.7	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.3	-47.8	174.7	-78.4	-72.9	0	0	0	112	W53 E892 L898 N899 M900 Y910 N914	W53-H896 HydrophobicContact CB-CB 3.95Å; W53-H896 HydrophobicContact CD2-CB 3.88Å; W53-H896 AromaticContact CD2-CD2 3.61Å; W53-H896 AromaticContact CD2-CG 3.65Å; W53-H896 AromaticContact CE2-CD2 3.75Å; W53-H896 AromaticContact CE2-NE2 3.74Å; W53-H896 HydrophobicContact CE3-CB 3.76Å; W53-H896 AromaticContact CE3-CD2 3.43Å; W53-H896 VanDerWaalsContact CE3-CD2 3.43Å; W53-H896 AromaticContact CE3-CG 3.73Å; W53-H896 HydrophobicContact CG-CB 3.98Å; W53-H896 AromaticContact CH2-CD2 3.62Å; W53-H896 AromaticContact CH2-NE2 3.77Å; W53-H896 AromaticContact CZ2-CD2 3.8Å; W53-H896 AromaticContact CZ2-NE2 3.62Å; W53-H896 AromaticContact CZ3-CD2 3.42Å; W53-H896 VanDerWaalsContact CZ3-CD2 3.42Å; W53-H896 WeakPolarHBondContact CZ3-CD2 3.5Å; E892-H896 PolarHBondContact O-CD2 2.93Å; E892-H896 VanDerWaalsContact O-CD2 3.27Å; E892-H896 PolarHBondContact O-N 3.26Å; E892-H896 IonicContact OE1-CD2 2.94Å; E892-H896 IonicContact OE1-NE2 2.72Å; H896-L898 VanDerWaalsContact C-N 3.26Å; H896-L898 PolarHBondContact O-N 2.87Å; H896-N899 PolarHBondContact O-N 3.33Å; H896-M900 WeakPolarHBondContact O-CB 3.42Å; H896-M900 VanDerWaalsContact O-CG 3.27Å; H896-M900 WeakPolarHBondContact O-CG 3.33Å; H896-M900 PolarHBondContact O-N 3.33Å; H896-Y910 AromaticContact ND1-CE2 3.85Å; H896-Y910 AromaticContact ND1-CZ 3.74Å; H896-Y910 PolarHBondContact ND1-OH 3.22Å; H896-N914 PolarHBondContact CE1-O 2.82Å; H896-N914 PolarHBondContact NE2-O 3.07Å
897	G	89.8	Confident	80.5	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.7	-31.6	-178.5	0	0	0	0	0	113.6	H57 V893 L894	H57-G897 PolarHBondContact NE2-O 3.34Å; V893-G897 PolarHBondContact O-N 3.44Å; L894-G897 PolarHBondContact O-N 2.84Å
898	L	87.6	Confident	78.2	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-76	-44.5	174.7	-72.2	167.2	0	0	0	111.9	L56 A737 Y873 L876 M877 I880 L894 W895 H896 I902	L56-L898 HydrophobicContact CD2-CD2 4.29Å; L56-L898 HydrophobicContact CD2-CG 4.12Å; A737-L898 HydrophobicContact CB-CD1 4.49Å; Y873-L898 HydrophobicContact CE2-CB 4.4Å; L876-L898 HydrophobicContact CD2-CD1 3.62Å; L876-L898 HydrophobicContact CD2-CD2 4.08Å; L876-L898 HydrophobicContact CG-CD1 4.13Å; M877-L898 HydrophobicContact SD-CB 4.15Å; M877-L898 HydrophobicContact SD-CD1 3.74Å; I880-L898 HydrophobicContact CD1-CD1 3.42Å; I880-L898 VanDerWaalsContact CD1-CD1 3.42Å; L894-L898 WeakPolarHBondContact O-CB 3.31Å; L894-L898 WeakPolarHBondContact O-CD1 3.33Å; L894-L898 WeakPolarHBondContact O-CG 3.4Å; L894-L898 PolarHBondContact O-N 3.18Å; W895-L898 PolarHBondContact O-N 3.15Å; H896-L898 VanDerWaalsContact C-N 3.26Å; H896-L898 PolarHBondContact O-N 2.87Å; L898-I902 WeakPolarHBondContact O-CG1 3.26Å
899	N	83.1	Confident	76.2	Confident	6 Å²	6	44 Å²	44	3%	0.032	22%	0.215	C	C	.	.	H	α-helix	trans	-68.3	-42.5	-178.6	-70.7	-19.2	0	0	0	112.8	H757 Y873 M877 W895 H896 R901 I902 E903 Y910	H757-N899 PolarHBondContact NE2-OD1 3.29Å; Y873-N899 PolarHBondContact OH-OD1 3.18Å; M877-N899 WeakPolarHBondContact CE-OD1 3.42Å; W895-N899 VanDerWaalsContact CZ2-ND2 3.3Å; W895-N899 WeakPolarHBondContact CZ2-ND2 3.47Å; W895-N899 PolarHBondContact NE1-ND2 3.33Å; W895-N899 PolarHBondContact O-N 2.87Å; W895-N899 PolarHBondContact O-ND2 2.81Å; H896-N899 PolarHBondContact O-N 3.33Å; N899-R901 PolarHBondContact O-N 3.24Å; N899-I902 WeakPolarHBondContact O-CB 3.34Å; N899-I902 PolarHBondContact O-N 3.26Å; N899-E903 PolarHBondContact O-N 3.26Å; N899-Y910 HydrophobicContact CB-CD2 4.32Å; N899-Y910 HydrophobicContact CB-CE2 4.27Å
900	M	76	Confident	74.4	Confident	12 Å²	12	45.6 Å²	45.6	6%	0.059	22%	0.221	C	C	.	.	H	α-helix	trans	-50.2	-37.4	178.4	-80.7	-175.5	73.5	0	0	113.7	W53 D54 H896 Q904 Y910	W53-M900 HydrophobicContact CB-SD 3.46Å; W53-M900 WeakPolarHBondContact CB-SD 3.46Å; D54-M900 HydrophobicContact CB-CE 4.32Å; H896-M900 WeakPolarHBondContact O-CB 3.42Å; H896-M900 VanDerWaalsContact O-CG 3.27Å; H896-M900 WeakPolarHBondContact O-CG 3.33Å; H896-M900 PolarHBondContact O-N 3.33Å; M900-Q904 WeakPolarHBondContact O-CG 3.32Å; M900-Q904 PolarHBondContact O-N 2.98Å; M900-Y910 HydrophobicContact CG-CD1 4.13Å; M900-Y910 HydrophobicContact CG-CD2 4.44Å; M900-Y910 HydrophobicContact CG-CE1 3.44Å; M900-Y910 VanDerWaalsContact CG-CE1 3.44Å; M900-Y910 HydrophobicContact CG-CE2 3.8Å; M900-Y910 VanDerWaalsContact CG-OH 3.31Å; M900-Y910 WeakPolarHBondContact CG-OH 3.17Å; M900-Y910 HydrophobicContact SD-CE1 4.26Å
901	R	70.4	Confident	73	Confident	61 Å²	61	48.8 Å²	48.8	23%	0.23	24%	0.238	C	C	.	.	H	α-helix	trans	-81.5	-21.1	-179	-82.3	-163.9	175.4	175	1.3	114.3	H57 S741 F750 N899	H57-R901 PolarHBondContact CD2-NE 3.11Å; H57-R901 VanDerWaalsContact CD2-NE 3.33Å; H57-R901 VanDerWaalsContact CE1-CZ 3.43Å; H57-R901 PolarHBondContact CE1-NE 3.38Å; H57-R901 VanDerWaalsContact CG-NE 3.35Å; H57-R901 PolarHBondContact ND1-NE 3.17Å; H57-R901 PolarHBondContact ND1-NH1 2.95Å; H57-R901 PolarHBondContact ND1-NH2 2.84Å; H57-R901 WeakPolarHBondContact NE2-CD 3.45Å; H57-R901 PolarHBondContact NE2-NE 3.43Å; S741-R901 WeakPolarHBondContact OG-CD 3.34Å; S741-R901 PolarHBondContact OG-NH1 2.81Å; F750-R901 HydrophobicContact CE1-CB 4.36Å; F750-R901 HydrophobicContact CZ-CB 4.16Å; N899-R901 PolarHBondContact O-N 3.24Å
902	I	65.7	Low	71.7	Confident	7 Å²	7	51.3 Å²	51.3	4%	0.036	25%	0.254	C	S	.	.	H	α-helix	trans	-76	-38	176	-62.1	165.1	0	0	0	109.2	F750 V753 H757 Y873 L898 N899	F750-I902 HydrophobicContact CD1-CB 4.32Å; F750-I902 HydrophobicContact CD1-CG1 3.8Å; F750-I902 HydrophobicContact CE1-CG1 3.73Å; V753-I902 HydrophobicContact CG1-CD1 3.88Å; V753-I902 HydrophobicContact CG1-CG1 4.41Å; V753-I902 HydrophobicContact CG1-CG2 4.14Å; H757-I902 HydrophobicContact CB-CG2 4.28Å; Y873-I902 HydrophobicContact CE1-CD1 4.17Å; Y873-I902 HydrophobicContact CE2-CD1 3.55Å; Y873-I902 WeakPolarHBondContact OH-CD1 3.32Å; L898-I902 WeakPolarHBondContact O-CG1 3.26Å; N899-I902 WeakPolarHBondContact O-CB 3.34Å; N899-I902 PolarHBondContact O-N 3.26Å
903	E	60.8	Low	70.9	Confident	19 Å²	19	54.2 Å²	54.2	9%	0.089	27%	0.268	C	S	.	.	H	α-helix	trans	-94.2	-3.2	-171	-70.3	164.1	130.8	0	0	114.8	H757 N899 K905 D906 L909 Y910	H757-E903 IonicContact CE1-OE1 2.74Å; H757-E903 PolarHBondContact CE1-OE1 3.5Å; H757-E903 VanDerWaalsContact CE1-OE1 3.27Å; H757-E903 IonicContact CE1-OE2 2.87Å; H757-E903 IonicContact ND1-OE1 3.77Å; H757-E903 PolarHBondContact ND1-OE1 3.48Å; N899-E903 PolarHBondContact O-N 3.26Å; E903-K905 PolarHBondContact O-N 3.46Å; E903-D906 CarbonylContact O-C 3.5Å; E903-D906 PolarHBondContact O-N 3.36Å; E903-L909 HydrophobicContact CG-CB 4.12Å; E903-L909 WeakPolarHBondContact OE1-CB 3.45Å; E903-Y910 VanDerWaalsContact CD-CA 3.43Å; E903-Y910 VanDerWaalsContact CD-CB 3.49Å; E903-Y910 WeakPolarHBondContact OE1-CA 3.47Å; E903-Y910 PolarHBondContact OE1-N 3.15Å; E903-Y910 VanDerWaalsContact OE1-N 3.15Å; E903-Y910 WeakPolarHBondContact OE2-CA 3.32Å; E903-Y910 WeakPolarHBondContact OE2-CB 3.39Å; E903-Y910 WeakPolarHBondContact OE2-CD2 3.43Å
904	Q	52.5	Low	70.5	Confident	139 Å²	139	57.2 Å²	57.2	65%	0.65	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-4	174.5	-93.9	179	7.9	0	0	115.3	M900	M900-Q904 WeakPolarHBondContact O-CG 3.32Å; M900-Q904 PolarHBondContact O-N 2.98Å
905	K	48.6	Very low	70.3	Confident	153 Å²	153	57.2 Å²	57.2	67%	0.665	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-21.3	171.4	-79	-174.6	176.8	175	0	114.3	E903	E903-K905 PolarHBondContact O-N 3.46Å
906	D	47.3	Very low	70.4	Confident	90 Å²	90	56.4 Å²	56.4	48%	0.481	28%	0.281	S	S	.	.			trans	-129.2	92.3	-179.6	-78.8	-42	0	0	0	109.3	E903 L908 L909	E903-D906 CarbonylContact O-C 3.5Å; E903-D906 PolarHBondContact O-N 3.36Å; D906-L908 PolarHBondContact O-N 3.41Å; D906-L909 HydrophobicContact CB-CD1 3.97Å; D906-L909 PolarHBondContact O-N 3.03Å
907	D	49.7	Very low	70.5	Confident	164 Å²	164	56.8 Å²	56.8	88%	0.877	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-6.9	179.2	-81.5	-26	0	0	0	114.5
908	L	50.4	Low	70.5	Confident	173 Å²	173	60.5 Å²	60.5	91%	0.906	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-10.9	-175.5	-67.4	170.8	0	0	0	115	D906	D906-L908 PolarHBondContact O-N 3.41Å
909	L	54	Low	70.6	Confident	70 Å²	70	62.9 Å²	62.9	37%	0.366	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-40.9	-170.2	-73.6	163.8	0	0	0	114.2	H758 E903 D906 N911	H758-L909 HydrophobicContact CB-CD2 3.79Å; E903-L909 HydrophobicContact CG-CB 4.12Å; E903-L909 WeakPolarHBondContact OE1-CB 3.45Å; D906-L909 HydrophobicContact CB-CD1 3.97Å; D906-L909 PolarHBondContact O-N 3.03Å; L909-N911 PolarHBondContact O-N 3.01Å; L909-N911 VanDerWaalsContact O-N 3.16Å
910	Y	59.8	Low	70.9	Confident	43 Å²	43	67.4 Å²	67.4	17%	0.169	34%	0.338	C	S	.	.			trans	-74.5	109.7	-178.5	-177	-118.2	0	0	0	111.3	H896 N899 M900 E903 P912	H896-Y910 AromaticContact ND1-CE2 3.85Å; H896-Y910 AromaticContact ND1-CZ 3.74Å; H896-Y910 PolarHBondContact ND1-OH 3.22Å; N899-Y910 HydrophobicContact CB-CD2 4.32Å; N899-Y910 HydrophobicContact CB-CE2 4.27Å; M900-Y910 HydrophobicContact CG-CD1 4.13Å; M900-Y910 HydrophobicContact CG-CD2 4.44Å; M900-Y910 HydrophobicContact CG-CE1 3.44Å; M900-Y910 VanDerWaalsContact CG-CE1 3.44Å; M900-Y910 HydrophobicContact CG-CE2 3.8Å; M900-Y910 VanDerWaalsContact CG-OH 3.31Å; M900-Y910 WeakPolarHBondContact CG-OH 3.17Å; M900-Y910 HydrophobicContact SD-CE1 4.26Å; E903-Y910 VanDerWaalsContact CD-CA 3.43Å; E903-Y910 VanDerWaalsContact CD-CB 3.49Å; E903-Y910 WeakPolarHBondContact OE1-CA 3.47Å; E903-Y910 PolarHBondContact OE1-N 3.15Å; E903-Y910 VanDerWaalsContact OE1-N 3.15Å; E903-Y910 WeakPolarHBondContact OE2-CA 3.32Å; E903-Y910 WeakPolarHBondContact OE2-CB 3.39Å; E903-Y910 WeakPolarHBondContact OE2-CD2 3.43Å; Y910-P912 HydrophobicContact CE1-CB 3.94Å; Y910-P912 WeakPolarHBondContact O-CD 3.42Å
911	N	69.5	Low	71.6	Confident	68 Å²	68	67.1 Å²	67.1	36%	0.364	34%	0.336	S	S	.	.			trans	-99	110.7	168.7	-170.8	4.8	0	0	0	110.6	L909 E913 N914	L909-N911 PolarHBondContact O-N 3.01Å; L909-N911 VanDerWaalsContact O-N 3.16Å; N911-E913 PolarHBondContact O-N 3.43Å; N911-E913 VanDerWaalsContact O-N 3.08Å; N911-E913 VanDerWaalsContact OD1-CB 3.23Å; N911-E913 WeakPolarHBondContact OD1-CB 3.5Å; N911-E913 PolarHBondContact OD1-N 3.29Å; N911-N914 PolarHBondContact ND2-OD1 3.42Å; N911-N914 PolarHBondContact O-N 3.29Å
912	P	69.5	Low	72.7	Confident	52 Å²	52	64.2 Å²	64.2	34%	0.338	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-7.8	172.7	28.9	-35.4	0	0	0	113.3	Y910	Y910-P912 HydrophobicContact CE1-CB 3.94Å; Y910-P912 WeakPolarHBondContact O-CD 3.42Å
913	E	79.3	Confident	73.7	Confident	62 Å²	62	65.2 Å²	65.2	29%	0.29	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	9.4	173.1	-56.8	-59	136.4	0	0	113.8	R79 L80 N911	R79-E913 IonicContact CZ-OE1 3.07Å; R79-E913 IonicContact CZ-OE2 2.69Å; R79-E913 IonicContact NH1-OE1 3.49Å; R79-E913 PolarHBondContact NH1-OE1 3.44Å; R79-E913 IonicContact NH1-OE2 3.8Å; R79-E913 PolarHBondContact NH1-OE2 3.42Å; R79-E913 IonicContact NH2-OE1 3.99Å; R79-E913 PolarHBondContact NH2-OE1 2.87Å; R79-E913 IonicContact NH2-OE2 2.76Å; R79-E913 PolarHBondContact NH2-OE2 3.03Å; L80-E913 VanDerWaalsContact CD1-O 3.28Å; L80-E913 WeakPolarHBondContact CD1-O 3.25Å; L80-E913 HydrophobicContact CD2-CB 4.42Å; L80-E913 VanDerWaalsContact CD2-O 3.3Å; L80-E913 WeakPolarHBondContact CD2-O 3.48Å; N911-E913 PolarHBondContact O-N 3.43Å; N911-E913 VanDerWaalsContact O-N 3.08Å; N911-E913 VanDerWaalsContact OD1-CB 3.23Å; N911-E913 WeakPolarHBondContact OD1-CB 3.5Å; N911-E913 PolarHBondContact OD1-N 3.29Å
914	N	86.4	Confident	74.9	Confident	63 Å²	63	64.9 Å²	64.9	34%	0.337	33%	0.33	S	S	.	.			trans	-87.5	151.1	166.6	-70.8	-12.5	0	0	0	110.1	W895 H896 N911	W895-N914 HydrophobicContact CH2-CB 3.8Å; W895-N914 HydrophobicContact CZ3-CB 4.18Å; H896-N914 PolarHBondContact CE1-O 2.82Å; H896-N914 PolarHBondContact NE2-O 3.07Å; N911-N914 PolarHBondContact ND2-OD1 3.42Å; N911-N914 PolarHBondContact O-N 3.29Å
915	S	92.2	Very high	76.4	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.319	C	S	.	.			trans	-124.2	145.9	172.8	169.2	0	0	0	0	109.6	E892 L917 T918 Q919	E892-S915 WeakPolarHBondContact OE1-CA 3.28Å; E892-S915 PolarHBondContact OE2-OG 3.41Å; S915-L917 PolarHBondContact O-N 3.19Å; S915-L917 WeakPolarHBondContact OG-CB 3.37Å; S915-L917 PolarHBondContact OG-N 2.85Å; S915-L917 VanDerWaalsContact OG-N 3.17Å; S915-T918 PolarHBondContact O-N 3.32Å; S915-T918 VanDerWaalsContact O-N 3.08Å; S915-T918 PolarHBondContact O-OG1 2.95Å; S915-Q919 PolarHBondContact O-NE2 2.99Å
916	L	93.6	Very high	78.3	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-55.2	-32.2	170.9	179.5	53.9	0	0	0	111.9	I880 H881 H884 E892 W895 T918 Q919	I880-L916 HydrophobicContact CG2-CD2 3.59Å; H881-L916 HydrophobicContact CB-CD1 4.47Å; H881-L916 VanDerWaalsContact CD2-CD1 3.48Å; H881-L916 WeakPolarHBondContact CD2-CD1 3.36Å; H881-L916 VanDerWaalsContact CE1-CD1 3.45Å; H881-L916 WeakPolarHBondContact CE1-CD1 3.23Å; H881-L916 WeakPolarHBondContact NE2-CD1 3.37Å; H884-L916 HydrophobicContact CB-CD2 3.81Å; H884-L916 HydrophobicContact CB-CG 4.15Å; H884-L916 WeakPolarHBondContact ND1-CD2 3.28Å; E892-L916 VanDerWaalsContact OE1-CB 3.31Å; E892-L916 WeakPolarHBondContact OE1-CB 3.26Å; E892-L916 PolarHBondContact OE1-N 2.71Å; W895-L916 HydrophobicContact CB-CB 4.45Å; W895-L916 HydrophobicContact CB-CD2 4.09Å; W895-L916 HydrophobicContact CD2-CB 4.26Å; W895-L916 HydrophobicContact CG-CB 4.23Å; W895-L916 HydrophobicContact CG-CD1 4.07Å; W895-L916 HydrophobicContact CG-CD2 4.38Å; W895-L916 HydrophobicContact CG-CG 4.48Å; L916-T918 PolarHBondContact O-N 3Å; L916-Q919 HydrophobicContact CD1-CB 4.38Å; L916-Q919 HydrophobicContact CD1-CG 4.28Å; L916-Q919 WeakPolarHBondContact O-CB 3.47Å; L916-Q919 PolarHBondContact O-N 2.83Å
917	L	94	Very high	80.2	Confident	8 Å²	8	51.8 Å²	51.8	4%	0.042	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-63.1	-24.8	178.5	-173.7	62.9	0	0	0	113.3	L82 F83 R127 R130 M131 S915 Q919	L82-L917 HydrophobicContact CB-CD2 4.21Å; L82-L917 HydrophobicContact CD1-CB 4.3Å; L82-L917 HydrophobicContact CD1-CD2 4.09Å; F83-L917 HydrophobicContact CD1-CD2 4.25Å; F83-L917 HydrophobicContact CE1-CD2 3.63Å; R127-L917 HydrophobicContact CB-CD1 4.15Å; R127-L917 HydrophobicContact CG-CD1 4.03Å; R130-L917 HydrophobicContact CB-CD1 4.42Å; M131-L917 HydrophobicContact CG-CD1 3.88Å; M131-L917 HydrophobicContact SD-CD1 4.44Å; S915-L917 PolarHBondContact O-N 3.19Å; S915-L917 WeakPolarHBondContact OG-CB 3.37Å; S915-L917 PolarHBondContact OG-N 2.85Å; S915-L917 VanDerWaalsContact OG-N 3.17Å; L917-Q919 VanDerWaalsContact C-N 3.34Å
918	T	90.4	Very high	81.8	Confident	77 Å²	77	47.4 Å²	47.4	47%	0.472	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-88.4	-3.4	177.4	65.8	0	0	0	0	113.3	L82 S915 L916	L82-T918 HydrophobicContact CD1-CG2 4.41Å; L82-T918 HydrophobicContact CD2-CG2 3.51Å; S915-T918 PolarHBondContact O-N 3.32Å; S915-T918 VanDerWaalsContact O-N 3.08Å; S915-T918 PolarHBondContact O-OG1 2.95Å; L916-T918 PolarHBondContact O-N 3Å
919	Q	90.4	Very high	83.3	Confident	54 Å²	54	39.9 Å²	39.9	25%	0.252	20%	0.201	S	C	.	.	S	Bend	trans	-83.4	152.3	179.1	-53.3	-54.4	-58.7	0	0	111.3	H881 W895 S915 L916 L917 Y921	H881-Q919 WeakPolarHBondContact NE2-CB 3.31Å; W895-Q919 HydrophobicContact CZ2-CG 4.01Å; S915-Q919 PolarHBondContact O-NE2 2.99Å; L916-Q919 HydrophobicContact CD1-CB 4.38Å; L916-Q919 HydrophobicContact CD1-CG 4.28Å; L916-Q919 WeakPolarHBondContact O-CB 3.47Å; L916-Q919 PolarHBondContact O-N 2.83Å; L917-Q919 VanDerWaalsContact C-N 3.34Å; Q919-Y921 PolarHBondContact O-N 2.81Å
920	Q	87.7	Confident	84.4	Confident	100 Å²	100	36.6 Å²	36.6	47%	0.467	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-62.5	129.5	177.9	-170.4	-179.1	14.6	0	0	111	W926	Q920-W926 HydrophobicContact CB-CZ2 4.29Å; Q920-W926 HydrophobicContact CG-CZ2 3.91Å
921	Y	92.4	Very high	85.1	Confident	7 Å²	7	34.9 Å²	34.9	3%	0.027	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-66.1	142.6	173.3	-154.9	-107.4	0	0	0	111.6	M131 H132 I796 N797 H881 I882 P885 Q919 N923	M131-Y921 HydrophobicContact CB-CD2 3.7Å; M131-Y921 HydrophobicContact CB-CG 4.12Å; M131-Y921 HydrophobicContact CE-CD2 3.74Å; M131-Y921 HydrophobicContact CE-CE2 4.27Å; M131-Y921 HydrophobicContact CG-CD2 4.33Å; M131-Y921 WeakPolarHBondContact O-CB 3.35Å; M131-Y921 PolarHBondContact O-N 3.26Å; M131-Y921 HydrophobicContact SD-CD2 3.69Å; M131-Y921 HydrophobicContact SD-CE2 4.02Å; H132-Y921 AromaticContact CE1-CD1 3.13Å; H132-Y921 WeakPolarHBondContact CE1-CD1 3.19Å; H132-Y921 AromaticContact CE1-CE1 3.74Å; H132-Y921 AromaticContact CE1-CG 3.64Å; H132-Y921 AromaticContact ND1-CD1 3.94Å; H132-Y921 AromaticContact ND1-CG 4Å; H132-Y921 AromaticContact NE2-CD1 3.51Å; I796-Y921 HydrophobicContact CG2-CE1 4.44Å; I796-Y921 WeakPolarHBondContact CG2-OH 3.32Å; N797-Y921 WeakPolarHBondContact OD1-CE1 3.41Å; H881-Y921 VanDerWaalsContact O-CE2 3.3Å; H881-Y921 WeakPolarHBondContact O-CE2 3.35Å; I882-Y921 WeakPolarHBondContact CA-OH 3.46Å; I882-Y921 PolarHBondContact O-OH 2.86Å; P885-Y921 HydrophobicContact CG-CE2 3.93Å; Q919-Y921 PolarHBondContact O-N 2.81Å; Y921-N923 PolarHBondContact O-N 2.89Å
922	P	92.8	Very high	85.1	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-54.8	137	178.8	-31.8	40.7	0	0	0	114.4	I793 T878 H881 I882 W926	I793-P922 HydrophobicContact CD1-CB 3.68Å; I793-P922 HydrophobicContact CG1-CB 3.88Å; I793-P922 HydrophobicContact CG2-CB 4.35Å; I793-P922 WeakPolarHBondContact CG2-O 3.36Å; T878-P922 HydrophobicContact CG2-CB 3.73Å; T878-P922 HydrophobicContact CG2-CG 3.65Å; H881-P922 HydrophobicContact CB-CG 3.69Å; I882-P922 HydrophobicContact CG1-CB 4.28Å; I882-P922 HydrophobicContact CG1-CG 3.99Å; P922-W926 VanDerWaalsContact CA-CH2 3.49Å; P922-W926 HydrophobicContact CB-CE3 4.48Å; P922-W926 HydrophobicContact CB-CH2 4.29Å; P922-W926 HydrophobicContact CB-CZ3 3.92Å; P922-W926 HydrophobicContact CG-CH2 4.33Å; P922-W926 HydrophobicContact CG-CZ3 4.12Å
923	N	87.5	Confident	84.9	Confident	28 Å²	28	37.2 Å²	37.2	15%	0.15	18%	0.182	C	C	.	.			trans	-132.5	141.8	-176.7	-168.2	-70.4	0	0	0	111.3	Y921 K925 W926	Y921-N923 PolarHBondContact O-N 2.89Å; N923-K925 PolarHBondContact O-N 2.96Å; N923-K925 VanDerWaalsContact OD1-CB 3.25Å; N923-K925 WeakPolarHBondContact OD1-CB 3.47Å; N923-K925 WeakPolarHBondContact OD1-CG 3.31Å; N923-K925 PolarHBondContact OD1-N 3.3Å; N923-W926 WeakPolarHBondContact O-CB 3.02Å; N923-W926 PolarHBondContact O-N 3.14Å; N923-W926 VanDerWaalsContact O-N 3.16Å
924	C	85.7	Confident	83.9	Confident	11 Å²	11	39.2 Å²	39.2	7%	0.074	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-60.7	-28	179.6	-65.7	0	0	0	0	113.4	W926 F927	C924-W926 PolarHBondContact O-N 2.76Å; C924-W926 VanDerWaalsContact O-N 3.16Å; C924-F927 PolarHBondContact O-N 2.97Å
925	K	84.2	Confident	82.7	Confident	95 Å²	95	37.9 Å²	37.9	41%	0.413	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-59.1	-25.8	177.5	-65.6	175.5	-174.7	173.2	0	112.8	D807 N923 F927 E928	D807-K925 IonicContact OD2-NZ 3.32Å; D807-K925 PolarHBondContact OD2-NZ 2.86Å; N923-K925 PolarHBondContact O-N 2.96Å; N923-K925 VanDerWaalsContact OD1-CB 3.25Å; N923-K925 WeakPolarHBondContact OD1-CB 3.47Å; N923-K925 WeakPolarHBondContact OD1-CG 3.31Å; N923-K925 PolarHBondContact OD1-N 3.3Å; K925-F927 PolarHBondContact O-N 3.03Å; K925-F927 VanDerWaalsContact O-N 3.12Å; K925-E928 PolarHBondContact O-N 3.1Å
926	W	87.7	Confident	80.9	Confident	13 Å²	13	42 Å²	42	5%	0.049	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-62.4	-19.8	176.3	-59.6	-9	0	0	0	113	L761 W765 Q920 P922 N923 C924 F929	L761-W926 HydrophobicContact CB-CH2 4.24Å; L761-W926 HydrophobicContact CB-CZ3 4.29Å; L761-W926 HydrophobicContact CD2-CH2 4.36Å; L761-W926 HydrophobicContact CD2-CZ3 3.98Å; L761-W926 HydrophobicContact CG-CH2 4.36Å; L761-W926 HydrophobicContact CG-CZ3 3.94Å; W765-W926 HydrophobicContact CB-CB 4.41Å; W765-W926 AromaticContact CD1-CE3 3.81Å; Q920-W926 HydrophobicContact CB-CZ2 4.29Å; Q920-W926 HydrophobicContact CG-CZ2 3.91Å; P922-W926 VanDerWaalsContact CA-CH2 3.49Å; P922-W926 HydrophobicContact CB-CE3 4.48Å; P922-W926 HydrophobicContact CB-CH2 4.29Å; P922-W926 HydrophobicContact CB-CZ3 3.92Å; P922-W926 HydrophobicContact CG-CH2 4.33Å; P922-W926 HydrophobicContact CG-CZ3 4.12Å; N923-W926 WeakPolarHBondContact O-CB 3.02Å; N923-W926 PolarHBondContact O-N 3.14Å; N923-W926 VanDerWaalsContact O-N 3.16Å; C924-W926 PolarHBondContact O-N 2.76Å; C924-W926 VanDerWaalsContact O-N 3.16Å; W926-F929 VanDerWaalsContact O-CD1 3.29Å; W926-F929 WeakPolarHBondContact O-CD1 3.38Å; W926-F929 WeakPolarHBondContact O-CE1 3.21Å
927	F	86.6	Confident	79.1	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-108.4	8.1	-174.3	-51.9	-81.2	0	0	0	113.3	W765 I786 L789 C790 I793 C924 K925 F929 L930 Y931	W765-F927 HydrophobicContact CD2-CD1 4.49Å; W765-F927 AromaticContact CD2-CE1 3.65Å; W765-F927 HydrophobicContact CD2-CE1 3.65Å; W765-F927 HydrophobicContact CD2-CZ 4.23Å; W765-F927 AromaticContact CE2-CE1 3.75Å; W765-F927 HydrophobicContact CE3-CD1 4.32Å; W765-F927 AromaticContact CE3-CE1 3.77Å; W765-F927 HydrophobicContact CE3-CE1 3.77Å; W765-F927 HydrophobicContact CG-CE1 4.19Å; W765-F927 HydrophobicContact CG-CZ 4.49Å; W765-F927 HydrophobicContact CH2-CE1 4.14Å; W765-F927 HydrophobicContact CZ2-CE1 4Å; W765-F927 HydrophobicContact CZ2-CZ 4.39Å; W765-F927 HydrophobicContact CZ3-CE1 4.02Å; I786-F927 HydrophobicContact CG2-CD1 3.44Å; I786-F927 VanDerWaalsContact CG2-CD1 3.44Å; I786-F927 HydrophobicContact CG2-CE1 3.92Å; I786-F927 HydrophobicContact CG2-CG 4.39Å; L789-F927 HydrophobicContact CD2-CE1 4.44Å; L789-F927 HydrophobicContact CD2-CZ 4.21Å; L789-F927 HydrophobicContact CG-CZ 4.37Å; C790-F927 HydrophobicContact CB-CB 4.41Å; C790-F927 HydrophobicContact CB-CD2 4.09Å; C790-F927 HydrophobicContact CB-CG 4.19Å; I793-F927 HydrophobicContact CD1-CD2 4.45Å; I793-F927 HydrophobicContact CD1-CE2 3.4Å; I793-F927 HydrophobicContact CD1-CZ 3.83Å; C924-F927 PolarHBondContact O-N 2.97Å; K925-F927 PolarHBondContact O-N 3.03Å; K925-F927 VanDerWaalsContact O-N 3.12Å; F927-F929 HydrophobicContact CD1-CZ 4.5Å; F927-F929 PolarHBondContact O-N 3.14Å; F927-F929 VanDerWaalsContact O-N 3.14Å; F927-L930 VanDerWaalsContact O-CB 3.22Å; F927-L930 WeakPolarHBondContact O-CB 3.35Å; F927-L930 PolarHBondContact O-N 3.44Å; F927-Y931 HydrophobicContact CB-CE2 4.34Å; F927-Y931 VanDerWaalsContact O-CD2 3.25Å; F927-Y931 WeakPolarHBondContact O-CD2 3.39Å
928	E	82.9	Confident	77.5	Confident	72 Å²	72	44.6 Å²	44.6	34%	0.336	23%	0.225	S	C	.	.	H	α-helix	trans	-54.7	-33.7	179.8	-79	176.8	-167.7	0	0	113	I813 K925 L930 Y931 Q932	I813-E928 HydrophobicContact CG2-CG 4.3Å; K925-E928 PolarHBondContact O-N 3.1Å; E928-L930 PolarHBondContact O-N 3.17Å; E928-L930 VanDerWaalsContact O-N 3.09Å; E928-Y931 PolarHBondContact O-N 3.35Å; E928-Q932 WeakPolarHBondContact O-CG 3.32Å; E928-Q932 PolarHBondContact O-N 3.07Å
929	F	82.1	Confident	76.3	Confident	15 Å²	15	41.3 Å²	41.3	7%	0.066	20%	0.204	C	C	.	.	H	α-helix	trans	-55.5	-27.9	175.3	65.6	-105.5	0	0	0	113	W765 V769 S773 W926 F927 Y931 N933	W765-F929 HydrophobicContact CE3-CZ 4.48Å; V769-F929 HydrophobicContact CB-CE1 4.42Å; V769-F929 HydrophobicContact CB-CE2 4.16Å; V769-F929 HydrophobicContact CB-CZ 3.72Å; V769-F929 HydrophobicContact CG1-CE2 3.62Å; V769-F929 HydrophobicContact CG1-CZ 3.54Å; S773-F929 PolarHBondContact OG-O 2.86Å; W926-F929 VanDerWaalsContact O-CD1 3.29Å; W926-F929 WeakPolarHBondContact O-CD1 3.38Å; W926-F929 WeakPolarHBondContact O-CE1 3.21Å; F927-F929 HydrophobicContact CD1-CZ 4.5Å; F927-F929 PolarHBondContact O-N 3.14Å; F927-F929 VanDerWaalsContact O-N 3.14Å; F929-Y931 VanDerWaalsContact C-N 3.29Å; F929-N933 PolarHBondContact O-ND2 3.1Å
930	L	78.5	Confident	74.9	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-72.5	-26.9	178.8	-167.1	66.9	0	0	0	111.7	I783 I786 H787 F927 E928 Y935 L939	I783-L930 HydrophobicContact CB-CD1 4.45Å; I783-L930 HydrophobicContact CG1-CD1 4.19Å; I783-L930 HydrophobicContact CG2-CD1 4.1Å; I786-L930 HydrophobicContact CB-CD2 4.33Å; I786-L930 HydrophobicContact CG2-CD2 3.91Å; H787-L930 HydrophobicContact CB-CD2 4.3Å; F927-L930 VanDerWaalsContact O-CB 3.22Å; F927-L930 WeakPolarHBondContact O-CB 3.35Å; F927-L930 PolarHBondContact O-N 3.44Å; E928-L930 PolarHBondContact O-N 3.17Å; E928-L930 VanDerWaalsContact O-N 3.09Å; L930-Y935 HydrophobicContact CD1-CE2 4Å; L930-Y935 WeakPolarHBondContact O-CE2 3.26Å; L930-L939 HydrophobicContact CD2-CD2 4.3Å
931	Y	73	Confident	73.6	Confident	7 Å²	7	39.8 Å²	39.8	3%	0.027	20%	0.198	C	C	.	.	H	α-helix	trans	-101.3	-19.9	-175.4	-56.2	-84.1	0	0	0	112.7	H787 C790 I813 T815 V822 F927 E928 F929 L939	H787-Y931 PolarHBondContact ND1-OH 3.02Å; C790-Y931 PolarHBondContact SG-OH 3.22Å; I813-Y931 HydrophobicContact CD1-CD1 4.48Å; I813-Y931 HydrophobicContact CD1-CD2 3.45Å; I813-Y931 VanDerWaalsContact CD1-CD2 3.45Å; I813-Y931 HydrophobicContact CD1-CE1 4.4Å; I813-Y931 HydrophobicContact CD1-CE2 3.37Å; I813-Y931 HydrophobicContact CD1-CG 4.04Å; I813-Y931 HydrophobicContact CG2-CD2 4.39Å; I813-Y931 HydrophobicContact CG2-CG 4.35Å; T815-Y931 VanDerWaalsContact CG2-O 3.3Å; T815-Y931 WeakPolarHBondContact CG2-O 3.32Å; V822-Y931 HydrophobicContact CG2-CD1 4.28Å; V822-Y931 HydrophobicContact CG2-CE1 3.45Å; V822-Y931 VanDerWaalsContact CG2-CE1 3.45Å; F927-Y931 HydrophobicContact CB-CE2 4.34Å; F927-Y931 VanDerWaalsContact O-CD2 3.25Å; F927-Y931 WeakPolarHBondContact O-CD2 3.39Å; E928-Y931 PolarHBondContact O-N 3.35Å; F929-Y931 VanDerWaalsContact C-N 3.29Å; Y931-L939 HydrophobicContact CD1-CD1 3.42Å; Y931-L939 VanDerWaalsContact CD1-CD1 3.42Å; Y931-L939 HydrophobicContact CE1-CD1 3.06Å
932	Q	70.2	Confident	72.4	Confident	127 Å²	127	39.5 Å²	39.5	59%	0.593	20%	0.197	S	C	*	.	H	α-helix	trans	-82.8	-22.4	177.3	-70.7	173.1	-1.4	0	0	113.6	E928	E928-Q932 WeakPolarHBondContact O-CG 3.32Å; E928-Q932 PolarHBondContact O-N 3.07Å
933	N	65.9	Low	71.2	Confident	42 Å²	42	41.7 Å²	41.7	23%	0.225	21%	0.207	C	C	.	.	S	Bend	trans	-84.5	134.5	-179.3	-76.3	-50.4	0	0	0	111.3	S773 F929 Y935	S773-N933 PolarHBondContact OG-ND2 2.87Å; F929-N933 PolarHBondContact O-ND2 3.1Å; N933-Y935 VanDerWaalsContact C-N 3.27Å; N933-Y935 HydrophobicContact CB-CD2 4.26Å; N933-Y935 HydrophobicContact CB-CE2 3.88Å; N933-Y935 WeakPolarHBondContact O-CD2 3.46Å; N933-Y935 PolarHBondContact O-N 2.93Å
934	D	57.9	Low	70.1	Confident	104 Å²	104	44.7 Å²	44.7	56%	0.556	22%	0.22	S	C	*	.			trans	-68.6	83.6	172.4	-97.3	-25.3	0	0	0	110.3	H818	H818-D934 IonicContact CD2-OD1 3.57Å; H818-D934 PolarHBondContact CD2-OD1 3.29Å; H818-D934 IonicContact CD2-OD2 3.26Å; H818-D934 IonicContact CG-OD1 2.89Å
935	Y	61.6	Low	68.9	Low	36 Å²	36	44.3 Å²	44.3	14%	0.141	22%	0.218	C	C	.	.			trans	-74.7	140.7	163.9	-68.7	-77	0	0	0	109.9	S773 L778 I783 L930 N933 I937	S773-Y935 PolarHBondContact OG-OH 3.46Å; L778-Y935 WeakPolarHBondContact CD1-OH 3.36Å; I783-Y935 HydrophobicContact CD1-CD1 3.85Å; I783-Y935 HydrophobicContact CD1-CE1 3.5Å; I783-Y935 HydrophobicContact CG1-CE1 4.28Å; L930-Y935 HydrophobicContact CD1-CE2 4Å; L930-Y935 WeakPolarHBondContact O-CE2 3.26Å; N933-Y935 VanDerWaalsContact C-N 3.27Å; N933-Y935 HydrophobicContact CB-CD2 4.26Å; N933-Y935 HydrophobicContact CB-CE2 3.88Å; N933-Y935 WeakPolarHBondContact O-CD2 3.46Å; N933-Y935 PolarHBondContact O-N 2.93Å; Y935-I937 PolarHBondContact O-N 2.67Å
936	D	53.9	Low	68.2	Low	86 Å²	86	40 Å²	40	46%	0.46	20%	0.199	S	C	.	.	S	Bend	trans	-65.9	-6.7	177.1	-95.1	-58	0	0	0	114.6	K970	D936-K970 HydrophobicContact CB-CD 4.43Å; D936-K970 PolarHBondContact O-NZ 3.25Å; D936-K970 IonicContact OD1-NZ 3.15Å; D936-K970 PolarHBondContact OD1-NZ 2.76Å
937	I	55.6	Low	67.1	Low	17 Å²	17	42.2 Å²	42.2	9%	0.087	22%	0.217	C	C	.	.	S	Bend	trans	-136.5	136.9	-169	-147.7	165.2	0	0	0	109.9	F820 Y935 R941 V942 I945 W1034	F820-I937 WeakPolarHBondContact CE1-O 3.47Å; F820-I937 VanDerWaalsContact CZ-O 3.29Å; F820-I937 WeakPolarHBondContact CZ-O 3.3Å; Y935-I937 PolarHBondContact O-N 2.67Å; I937-R941 HydrophobicContact CD1-CG 4.29Å; I937-R941 HydrophobicContact CG1-CB 4.15Å; I937-R941 HydrophobicContact CG1-CG 3.78Å; I937-V942 HydrophobicContact CG2-CG2 3.54Å; I937-I945 HydrophobicContact CD1-CD1 3.38Å; I937-I945 HydrophobicContact CG1-CD1 4.36Å; I937-W1034 HydrophobicContact CD1-CH2 4.18Å; I937-W1034 HydrophobicContact CD1-CZ2 3.54Å
938	S	61.1	Low	65.9	Low	46 Å²	46	43.6 Å²	43.6	32%	0.322	22%	0.223	S	C	.	.			trans	-72.8	153.7	176.2	66.3	0	0	0	0	111.6	R941 V942	S938-R941 CarbonylContact O-C 3.53Å; S938-R941 WeakPolarHBondContact O-CA 3.2Å; S938-R941 VanDerWaalsContact O-CB 3.29Å; S938-R941 WeakPolarHBondContact O-CB 3.46Å; S938-R941 PolarHBondContact O-N 3Å; S938-R941 VanDerWaalsContact O-N 3.08Å; S938-R941 WeakPolarHBondContact OG-CB 3.29Å; S938-R941 PolarHBondContact OG-N 2.95Å; S938-V942 WeakPolarHBondContact O-CG2 3.23Å; S938-V942 PolarHBondContact O-N 2.75Å
939	L	65.2	Low	64.9	Low	7 Å²	7	40.9 Å²	40.9	4%	0.037	21%	0.211	C	C	.	.	H	α-helix	trans	-68.3	-36.2	178.2	-75.4	168.6	0	0	0	112.8	I783 H787 F820 L930 Y931 R941 V942 Q943	I783-L939 HydrophobicContact CG2-CD2 3.48Å; I783-L939 VanDerWaalsContact CG2-CD2 3.48Å; H787-L939 HydrophobicContact CB-CD2 4.16Å; F820-L939 HydrophobicContact CD1-CB 4.4Å; F820-L939 HydrophobicContact CD1-CD1 4.26Å; F820-L939 HydrophobicContact CD1-CG 4.08Å; F820-L939 HydrophobicContact CE1-CG 4.19Å; L930-L939 HydrophobicContact CD2-CD2 4.3Å; Y931-L939 HydrophobicContact CD1-CD1 3.42Å; Y931-L939 VanDerWaalsContact CD1-CD1 3.42Å; Y931-L939 HydrophobicContact CE1-CD1 3.06Å; L939-R941 PolarHBondContact O-N 3.38Å; L939-V942 WeakPolarHBondContact O-CB 3.2Å; L939-V942 PolarHBondContact O-N 3.39Å; L939-V942 VanDerWaalsContact O-N 3.14Å; L939-Q943 PolarHBondContact O-N 3.07Å
940	D	61.4	Low	63.9	Low	84 Å²	84	41.5 Å²	41.5	45%	0.449	22%	0.217	S	C	.	.	H	α-helix	trans	-58.2	-38.5	169	-60.4	-41.7	0	0	0	110.3	Q943 E944	D940-Q943 WeakPolarHBondContact O-CB 3.31Å; D940-Q943 PolarHBondContact O-N 3.27Å; D940-E944 WeakPolarHBondContact O-CG 3.21Å; D940-E944 PolarHBondContact O-N 3.28Å
941	R	59.5	Low	63	Low	38 Å²	38	45 Å²	45	14%	0.143	24%	0.238	C	C	.	.	H	α-helix	trans	-70.3	-36.9	175.7	-172.7	61.1	177.3	-179.4	8.2	113	I937 S938 L939 Q943 E944 I945	I937-R941 HydrophobicContact CD1-CG 4.29Å; I937-R941 HydrophobicContact CG1-CB 4.15Å; I937-R941 HydrophobicContact CG1-CG 3.78Å; S938-R941 CarbonylContact O-C 3.53Å; S938-R941 WeakPolarHBondContact O-CA 3.2Å; S938-R941 VanDerWaalsContact O-CB 3.29Å; S938-R941 WeakPolarHBondContact O-CB 3.46Å; S938-R941 PolarHBondContact O-N 3Å; S938-R941 VanDerWaalsContact O-N 3.08Å; S938-R941 WeakPolarHBondContact OG-CB 3.29Å; S938-R941 PolarHBondContact OG-N 2.95Å; L939-R941 PolarHBondContact O-N 3.38Å; R941-Q943 VanDerWaalsContact C-N 3.26Å; R941-Q943 PolarHBondContact O-N 2.85Å; R941-E944 WeakPolarHBondContact CD-OE2 3.18Å; R941-E944 IonicContact CZ-OE2 2.9Å; R941-E944 IonicContact NE-OE2 3.27Å; R941-E944 IonicContact NH1-OE2 2.92Å; R941-E944 PolarHBondContact NH1-OE2 3.43Å; R941-E944 PolarHBondContact O-N 3.43Å; R941-I945 HydrophobicContact CG-CD1 3.95Å; R941-I945 HydrophobicContact CG-CG1 4.42Å; R941-I945 WeakPolarHBondContact O-CB 3.49Å; R941-I945 VanDerWaalsContact O-CG1 3.24Å; R941-I945 WeakPolarHBondContact O-CG1 3.37Å; R941-I945 PolarHBondContact O-N 3.25Å
942	V	66.4	Low	62	Low	2 Å²	2	45.7 Å²	45.7	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-58	-44	169.2	172.5	0	0	0	0	109.8	L780 I783 W784 I937 S938 L939 M946	L780-V942 HydrophobicContact CD1-CB 4.08Å; L780-V942 HydrophobicContact CD1-CG1 3.73Å; L780-V942 HydrophobicContact CD1-CG2 3.67Å; L780-V942 HydrophobicContact CG-CG1 4.41Å; I783-V942 HydrophobicContact CG2-CG1 4.35Å; I783-V942 HydrophobicContact CG2-CG2 4.16Å; W784-V942 HydrophobicContact CB-CG1 3.68Å; W784-V942 HydrophobicContact CG-CG1 4.42Å; I937-V942 HydrophobicContact CG2-CG2 3.54Å; S938-V942 WeakPolarHBondContact O-CG2 3.23Å; S938-V942 PolarHBondContact O-N 2.75Å; L939-V942 WeakPolarHBondContact O-CB 3.2Å; L939-V942 PolarHBondContact O-N 3.39Å; L939-V942 VanDerWaalsContact O-N 3.14Å; V942-M946 HydrophobicContact CG1-CG 4.27Å; V942-M946 VanDerWaalsContact O-CB 3.26Å; V942-M946 WeakPolarHBondContact O-CB 3.19Å; V942-M946 WeakPolarHBondContact O-CG 3.44Å; V942-M946 PolarHBondContact O-N 2.86Å
943	Q	67.5	Low	61.3	Low	45 Å²	45	39.7 Å²	39.7	21%	0.21	22%	0.216	C	C	.	.	H	α-helix	trans	-64.8	-43.3	178.6	179.9	57.7	35.7	0	0	112.3	K788 L939 D940 R941 M946 S947	K788-Q943 VanDerWaalsContact NZ-CD 3.26Å; L939-Q943 PolarHBondContact O-N 3.07Å; D940-Q943 WeakPolarHBondContact O-CB 3.31Å; D940-Q943 PolarHBondContact O-N 3.27Å; R941-Q943 VanDerWaalsContact C-N 3.26Å; R941-Q943 PolarHBondContact O-N 2.85Å; Q943-M946 PolarHBondContact O-N 2.95Å; Q943-S947 VanDerWaalsContact O-CB 3.26Å; Q943-S947 WeakPolarHBondContact O-CB 3.48Å; Q943-S947 PolarHBondContact O-N 3.11Å
944	E	64.4	Low	60.8	Low	91 Å²	91	41.5 Å²	41.5	43%	0.425	23%	0.231	S	C	.	.	H	α-helix	trans	-59.6	-53.9	173.7	-74.4	169.6	-170.7	0	0	110.9	D940 R941 M946 S947 E948	D940-E944 WeakPolarHBondContact O-CG 3.21Å; D940-E944 PolarHBondContact O-N 3.28Å; R941-E944 WeakPolarHBondContact CD-OE2 3.18Å; R941-E944 IonicContact CZ-OE2 2.9Å; R941-E944 IonicContact NE-OE2 3.27Å; R941-E944 IonicContact NH1-OE2 2.92Å; R941-E944 PolarHBondContact NH1-OE2 3.43Å; R941-E944 PolarHBondContact O-N 3.43Å; E944-M946 VanDerWaalsContact C-N 3.3Å; E944-M946 PolarHBondContact O-N 3.39Å; E944-S947 CarbonylContact O-C 3.43Å; E944-S947 WeakPolarHBondContact O-CB 3.37Å; E944-S947 PolarHBondContact O-N 3.06Å; E944-S947 VanDerWaalsContact O-N 3.08Å; E944-E948 WeakPolarHBondContact O-CB 3.41Å; E944-E948 WeakPolarHBondContact O-CG 3.43Å; E944-E948 PolarHBondContact O-N 2.8Å
945	I	61.6	Low	60.4	Low	3 Å²	3	40 Å²	40	2%	0.015	22%	0.223	C	C	.	.	H	α-helix	trans	-58.9	-43.6	179.7	-68.6	166.8	0	0	0	110.4	L780 I937 R941 S947 E948 L949 L987 W1034	L780-I945 HydrophobicContact CD2-CG2 3.75Å; I937-I945 HydrophobicContact CD1-CD1 3.38Å; I937-I945 HydrophobicContact CG1-CD1 4.36Å; R941-I945 HydrophobicContact CG-CD1 3.95Å; R941-I945 HydrophobicContact CG-CG1 4.42Å; R941-I945 WeakPolarHBondContact O-CB 3.49Å; R941-I945 VanDerWaalsContact O-CG1 3.24Å; R941-I945 WeakPolarHBondContact O-CG1 3.37Å; R941-I945 PolarHBondContact O-N 3.25Å; I945-S947 VanDerWaalsContact C-N 3.34Å; I945-S947 PolarHBondContact O-N 3.2Å; I945-E948 PolarHBondContact O-N 3.03Å; I945-L949 HydrophobicContact CG2-CD1 3.68Å; I945-L949 HydrophobicContact CG2-CG 4.09Å; I945-L949 WeakPolarHBondContact O-CB 3.17Å; I945-L949 WeakPolarHBondContact O-CG 3.15Å; I945-L949 PolarHBondContact O-N 3.33Å; I945-L987 HydrophobicContact CG2-CD2 3.98Å; I945-W1034 HydrophobicContact CD1-CZ2 4.19Å
946	M	68.3	Low	59.8	Low	4 Å²	4	39.3 Å²	39.3	2%	0.02	22%	0.223	C	C	.	.	H	α-helix	trans	-68.9	-33.4	178.5	-72.4	-62.5	-60	0	0	112.4	L780 F781 W784 I851 V942 Q943 E944 L949 S950	L780-M946 HydrophobicContact CD2-SD 4.18Å; L780-M946 HydrophobicContact CG-SD 4.3Å; F781-M946 HydrophobicContact CB-CE 3.98Å; F781-M946 HydrophobicContact CB-SD 4.28Å; W784-M946 HydrophobicContact CB-CG 3.83Å; W784-M946 HydrophobicContact CD2-CB 4.32Å; W784-M946 HydrophobicContact CD2-CE 3.91Å; W784-M946 HydrophobicContact CD2-CG 4.18Å; W784-M946 HydrophobicContact CE3-CE 3.92Å; W784-M946 HydrophobicContact CG-CB 3.98Å; W784-M946 HydrophobicContact CG-CE 4.22Å; W784-M946 HydrophobicContact CG-CG 3.58Å; W784-M946 HydrophobicContact CZ3-CE 4.42Å; I851-M946 HydrophobicContact CG2-CE 4.19Å; V942-M946 HydrophobicContact CG1-CG 4.27Å; V942-M946 VanDerWaalsContact O-CB 3.26Å; V942-M946 WeakPolarHBondContact O-CB 3.19Å; V942-M946 WeakPolarHBondContact O-CG 3.44Å; V942-M946 PolarHBondContact O-N 2.86Å; Q943-M946 PolarHBondContact O-N 2.95Å; E944-M946 VanDerWaalsContact C-N 3.3Å; E944-M946 PolarHBondContact O-N 3.39Å; M946-L949 HydrophobicContact SD-CD1 4.08Å; M946-S950 WeakPolarHBondContact O-CB 3.49Å; M946-S950 PolarHBondContact O-N 3.13Å; M946-S950 PolarHBondContact O-OG 2.89Å
947	S	65.7	Low	59.5	Low	61 Å²	61	39.7 Å²	39.7	43%	0.427	23%	0.225	S	C	.	.	H	α-helix	trans	-67.5	-43.8	172.8	-169.8	0	0	0	0	111.4	Q943 E944 I945 S950 T951	Q943-S947 VanDerWaalsContact O-CB 3.26Å; Q943-S947 WeakPolarHBondContact O-CB 3.48Å; Q943-S947 PolarHBondContact O-N 3.11Å; E944-S947 CarbonylContact O-C 3.43Å; E944-S947 WeakPolarHBondContact O-CB 3.37Å; E944-S947 PolarHBondContact O-N 3.06Å; E944-S947 VanDerWaalsContact O-N 3.08Å; I945-S947 VanDerWaalsContact C-N 3.34Å; I945-S947 PolarHBondContact O-N 3.2Å; S947-S950 PolarHBondContact O-N 3.3Å; S947-T951 WeakPolarHBondContact O-CB 3.48Å; S947-T951 PolarHBondContact O-N 3.02Å; S947-T951 PolarHBondContact O-OG1 3.19Å
948	E	60.9	Low	59.2	Low	28 Å²	28	40.2 Å²	40.2	13%	0.131	23%	0.23	C	C	.	.	H	α-helix	trans	-64.1	-48.7	175.6	-72.6	173	-179	0	0	110.8	E944 I945 S950 T951 V952 V1027	E944-E948 WeakPolarHBondContact O-CB 3.41Å; E944-E948 WeakPolarHBondContact O-CG 3.43Å; E944-E948 PolarHBondContact O-N 2.8Å; I945-E948 PolarHBondContact O-N 3.03Å; E948-S950 VanDerWaalsContact C-N 3.33Å; E948-S950 PolarHBondContact O-N 3.05Å; E948-T951 CarbonylContact O-C 3.57Å; E948-T951 WeakPolarHBondContact O-CA 3.48Å; E948-T951 WeakPolarHBondContact O-CB 3.19Å; E948-T951 PolarHBondContact O-N 3.11Å; E948-T951 VanDerWaalsContact O-N 3.08Å; E948-V952 WeakPolarHBondContact O-CB 3.45Å; E948-V952 WeakPolarHBondContact O-CG2 3.26Å; E948-V952 PolarHBondContact O-N 3.11Å; E948-V1027 HydrophobicContact CB-CG1 3.82Å; E948-V1027 HydrophobicContact CG-CG1 4.44Å; E948-V1027 WeakPolarHBondContact OE2-CG1 3.26Å
949	L	61.9	Low	58.8	Low	16 Å²	16	39.2 Å²	39.2	8%	0.084	22%	0.219	C	C	.	.	H	α-helix	trans	-59	-42.9	174.2	-75.3	173.3	0	0	0	111.5	L780 I945 M946 T951 V952 A953 I966 L987	L780-L949 HydrophobicContact CD2-CD1 4.38Å; I945-L949 HydrophobicContact CG2-CD1 3.68Å; I945-L949 HydrophobicContact CG2-CG 4.09Å; I945-L949 WeakPolarHBondContact O-CB 3.17Å; I945-L949 WeakPolarHBondContact O-CG 3.15Å; I945-L949 PolarHBondContact O-N 3.33Å; M946-L949 HydrophobicContact SD-CD1 4.08Å; L949-T951 VanDerWaalsContact C-N 3.3Å; L949-T951 PolarHBondContact O-N 2.98Å; L949-V952 PolarHBondContact O-N 2.83Å; L949-A953 WeakPolarHBondContact O-CA 3.48Å; L949-A953 WeakPolarHBondContact O-CB 3.45Å; L949-A953 PolarHBondContact O-N 3.17Å; L949-I966 HydrophobicContact CD1-CD1 3.58Å; L949-L987 HydrophobicContact CD2-CD1 4.29Å
950	S	62.3	Low	58.2	Low	28 Å²	28	43.2 Å²	43.2	20%	0.196	23%	0.234	C	C	.	.	H	α-helix	trans	-66.1	-32.4	175.5	-62.7	0	0	0	0	112.2	M946 S947 E948 A953 S954	M946-S950 WeakPolarHBondContact O-CB 3.49Å; M946-S950 PolarHBondContact O-N 3.13Å; M946-S950 PolarHBondContact O-OG 2.89Å; S947-S950 PolarHBondContact O-N 3.3Å; E948-S950 VanDerWaalsContact C-N 3.33Å; E948-S950 PolarHBondContact O-N 3.05Å; S950-A953 WeakPolarHBondContact O-CB 3.28Å; S950-S954 WeakPolarHBondContact O-CB 3.49Å; S950-S954 PolarHBondContact O-N 3.07Å
951	T	59.1	Low	57.5	Low	72 Å²	72	41.6 Å²	41.6	44%	0.442	23%	0.228	S	C	.	.	H	α-helix	trans	-71.8	-50.2	175.8	-57.3	0	0	0	0	110.5	S947 E948 L949 A953 S954 N955	S947-T951 WeakPolarHBondContact O-CB 3.48Å; S947-T951 PolarHBondContact O-N 3.02Å; S947-T951 PolarHBondContact O-OG1 3.19Å; E948-T951 CarbonylContact O-C 3.57Å; E948-T951 WeakPolarHBondContact O-CA 3.48Å; E948-T951 WeakPolarHBondContact O-CB 3.19Å; E948-T951 PolarHBondContact O-N 3.11Å; E948-T951 VanDerWaalsContact O-N 3.08Å; L949-T951 VanDerWaalsContact C-N 3.3Å; L949-T951 PolarHBondContact O-N 2.98Å; T951-A953 PolarHBondContact O-N 2.93Å; T951-S954 PolarHBondContact O-N 2.9Å; T951-S954 VanDerWaalsContact O-N 3.15Å; T951-S954 PolarHBondContact O-OG 2.83Å; T951-N955 PolarHBondContact O-N 2.88Å; T951-N955 VanDerWaalsContact O-N 3.14Å; T951-N955 PolarHBondContact O-ND2 3.26Å
952	V	52	Low	56.9	Low	22 Å²	22	41.2 Å²	41.2	13%	0.133	23%	0.229	C	C	.	.	H	α-helix	trans	-54.8	-45.2	172	170.5	0	0	0	0	109.9	E948 L949 S954 N955 V956 I1010	E948-V952 WeakPolarHBondContact O-CB 3.45Å; E948-V952 WeakPolarHBondContact O-CG2 3.26Å; E948-V952 PolarHBondContact O-N 3.11Å; L949-V952 PolarHBondContact O-N 2.83Å; V952-S954 PolarHBondContact O-N 3.12Å; V952-N955 CarbonylContact O-C 3.54Å; V952-N955 WeakPolarHBondContact O-CB 3.26Å; V952-N955 PolarHBondContact O-N 3.39Å; V952-N955 VanDerWaalsContact O-N 3.11Å; V952-V956 HydrophobicContact CG1-CG2 4.36Å; V952-V956 WeakPolarHBondContact O-CG2 3.36Å; V952-V956 PolarHBondContact O-N 2.96Å; V952-I1010 HydrophobicContact CG1-CD1 3.98Å; V952-I1010 HydrophobicContact CG2-CD1 4Å; V952-I1010 HydrophobicContact CG2-CG1 4.44Å
953	A	54.1	Low	56.1	Low	2 Å²	2	41.7 Å²	41.7	2%	0.017	23%	0.231	C	C	.	.	H	α-helix	trans	-58.3	-45.7	175.5	0	0	0	0	0	114.1	L949 S950 T951 N955 V956 W959	L949-A953 WeakPolarHBondContact O-CA 3.48Å; L949-A953 WeakPolarHBondContact O-CB 3.45Å; L949-A953 PolarHBondContact O-N 3.17Å; S950-A953 WeakPolarHBondContact O-CB 3.28Å; T951-A953 PolarHBondContact O-N 2.93Å; A953-N955 PolarHBondContact O-N 2.8Å; A953-V956 CarbonylContact O-C 3.59Å; A953-V956 PolarHBondContact O-N 2.88Å; A953-W959 VanDerWaalsContact CA-CB 3.47Å; A953-W959 HydrophobicContact CB-CB 3.79Å; A953-W959 HydrophobicContact CB-CD2 3.03Å; A953-W959 VanDerWaalsContact CB-CE2 3.42Å; A953-W959 HydrophobicContact CB-CE3 3.18Å; A953-W959 HydrophobicContact CB-CG 3.25Å; A953-W959 HydrophobicContact CB-CH2 4.05Å; A953-W959 HydrophobicContact CB-CZ2 3.98Å; A953-W959 HydrophobicContact CB-CZ3 3.6Å
954	S	55.6	Low	55.1	Low	79 Å²	79	45.1 Å²	45.1	55%	0.552	24%	0.242	S	C	*	.	H	α-helix	trans	-63.4	-27.6	177.1	74.1	0	0	0	0	112.3	S950 T951 V952	S950-S954 WeakPolarHBondContact O-CB 3.49Å; S950-S954 PolarHBondContact O-N 3.07Å; T951-S954 PolarHBondContact O-N 2.9Å; T951-S954 VanDerWaalsContact O-N 3.15Å; T951-S954 PolarHBondContact O-OG 2.83Å; V952-S954 PolarHBondContact O-N 3.12Å
955	N	49.5	Very low	54.2	Low	73 Å²	73	40.9 Å²	40.9	39%	0.39	22%	0.222	S	C	.	.	H	α-helix	trans	-84.2	-29.8	176.8	-69.3	-35.5	0	0	0	112.8	T951 V952 A953	T951-N955 PolarHBondContact O-N 2.88Å; T951-N955 VanDerWaalsContact O-N 3.14Å; T951-N955 PolarHBondContact O-ND2 3.26Å; V952-N955 CarbonylContact O-C 3.54Å; V952-N955 WeakPolarHBondContact O-CB 3.26Å; V952-N955 PolarHBondContact O-N 3.39Å; V952-N955 VanDerWaalsContact O-N 3.11Å; A953-N955 PolarHBondContact O-N 2.8Å
956	V	49.2	Very low	53.4	Low	22 Å²	22	41.6 Å²	41.6	13%	0.133	23%	0.226	C	C	.	.	S	Bend	trans	-99.9	94.9	177.1	-177.1	0	0	0	0	109	V952 A953 S958 W959 L962	V952-V956 HydrophobicContact CG1-CG2 4.36Å; V952-V956 WeakPolarHBondContact O-CG2 3.36Å; V952-V956 PolarHBondContact O-N 2.96Å; A953-V956 CarbonylContact O-C 3.59Å; A953-V956 PolarHBondContact O-N 2.88Å; V956-S958 PolarHBondContact O-N 2.91Å; V956-W959 HydrophobicContact CB-CB 4.16Å; V956-W959 HydrophobicContact CG1-CB 4.35Å; V956-W959 WeakPolarHBondContact O-CB 3.4Å; V956-W959 VanDerWaalsContact O-CD1 3.25Å; V956-W959 PolarHBondContact O-N 2.86Å; V956-L962 HydrophobicContact CG1-CD1 4.26Å
957	N	48.3	Very low	52.4	Low	94 Å²	94	46.1 Å²	46.1	50%	0.503	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-17	-176	-81	-31.3	0	0	0	114.6	R1055	N957-R1055 PolarHBondContact O-NH2 3.44Å
958	S	49.9	Very low	51.2	Low	27 Å²	27	45.5 Å²	45.5	19%	0.189	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	21.1	175.3	-28.1	0	0	0	0	114.6	V956 R960 P961 R1055	V956-S958 PolarHBondContact O-N 2.91Å; S958-R960 PolarHBondContact O-N 3.47Å; S958-R960 VanDerWaalsContact O-N 3.08Å; S958-P961 WeakPolarHBondContact O-CD 3.37Å; S958-R1055 PolarHBondContact OG-NH1 3.06Å; S958-R1055 PolarHBondContact OG-NH2 2.99Å
959	W	52.6	Low	50.2	Low	26 Å²	26	50.3 Å²	50.3	10%	0.098	26%	0.264	C	S	.	.			trans	-64.6	-15.9	-170.5	69.6	-84.3	0	0	0	116	A953 V956 P961 L962 L963	A953-W959 VanDerWaalsContact CA-CB 3.47Å; A953-W959 HydrophobicContact CB-CB 3.79Å; A953-W959 HydrophobicContact CB-CD2 3.03Å; A953-W959 VanDerWaalsContact CB-CE2 3.42Å; A953-W959 HydrophobicContact CB-CE3 3.18Å; A953-W959 HydrophobicContact CB-CG 3.25Å; A953-W959 HydrophobicContact CB-CH2 4.05Å; A953-W959 HydrophobicContact CB-CZ2 3.98Å; A953-W959 HydrophobicContact CB-CZ3 3.6Å; V956-W959 HydrophobicContact CB-CB 4.16Å; V956-W959 HydrophobicContact CG1-CB 4.35Å; V956-W959 WeakPolarHBondContact O-CB 3.4Å; V956-W959 VanDerWaalsContact O-CD1 3.25Å; V956-W959 PolarHBondContact O-N 2.86Å; W959-P961 VanDerWaalsContact C-CD 3.47Å; W959-L962 HydrophobicContact CB-CD1 3.86Å; W959-L962 HydrophobicContact CB-CG 4.4Å; W959-L962 WeakPolarHBondContact O-CA 3.45Å; W959-L962 WeakPolarHBondContact O-CB 3.23Å; W959-L962 VanDerWaalsContact O-CG 3.25Å; W959-L962 WeakPolarHBondContact O-CG 3.37Å; W959-L962 PolarHBondContact O-N 3.4Å; W959-L963 HydrophobicContact CD2-CD1 4.32Å; W959-L963 HydrophobicContact CE3-CD1 3.29Å; W959-L963 HydrophobicContact CE3-CD2 3.65Å; W959-L963 HydrophobicContact CE3-CG 3.45Å; W959-L963 VanDerWaalsContact CE3-CG 3.45Å; W959-L963 HydrophobicContact CH2-CD1 3.55Å; W959-L963 HydrophobicContact CZ2-CD1 4.49Å; W959-L963 HydrophobicContact CZ3-CD1 2.9Å; W959-L963 HydrophobicContact CZ3-CD2 3.47Å; W959-L963 VanDerWaalsContact CZ3-CD2 3.47Å; W959-L963 HydrophobicContact CZ3-CG 3.45Å; W959-L963 VanDerWaalsContact CZ3-CG 3.45Å
960	R	51.2	Low	49	Very low	91 Å²	91	54.7 Å²	54.7	34%	0.343	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-55.7	-37.9	-171	-67.4	174	173.7	78.4	3.2	114.6	E854 N858 S958	E854-R960 IonicContact OE2-CZ 2.81Å; E854-R960 IonicContact OE2-NE 3.79Å; E854-R960 PolarHBondContact OE2-NE 3.45Å; E854-R960 IonicContact OE2-NH2 2.79Å; N858-R960 WeakPolarHBondContact ND2-CB 3.47Å; N858-R960 WeakPolarHBondContact ND2-CD 3.48Å; S958-R960 PolarHBondContact O-N 3.47Å; S958-R960 VanDerWaalsContact O-N 3.08Å
961	P	47.7	Very low	47.8	Very low	49 Å²	49	58.3 Å²	58.3	32%	0.318	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-70.8	-25.5	171.7	-17.9	34.5	0	0	0	113.8	S958 W959 L963 R964 W1047	S958-P961 WeakPolarHBondContact O-CD 3.37Å; W959-P961 VanDerWaalsContact C-CD 3.47Å; P961-L963 PolarHBondContact O-N 2.84Å; P961-L963 VanDerWaalsContact O-N 3.09Å; P961-R964 WeakPolarHBondContact O-CB 3.37Å; P961-R964 WeakPolarHBondContact O-CG 3.35Å; P961-R964 PolarHBondContact O-N 2.82Å; P961-W1047 HydrophobicContact CG-CH2 4.47Å
962	L	46.2	Very low	46.7	Very low	31 Å²	31	60.6 Å²	60.6	16%	0.162	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-60.4	-21.7	179.7	-53	179	0	0	0	112.9	V956 W959 I985	V956-L962 HydrophobicContact CG1-CD1 4.26Å; W959-L962 HydrophobicContact CB-CD1 3.86Å; W959-L962 HydrophobicContact CB-CG 4.4Å; W959-L962 WeakPolarHBondContact O-CA 3.45Å; W959-L962 WeakPolarHBondContact O-CB 3.23Å; W959-L962 VanDerWaalsContact O-CG 3.25Å; W959-L962 WeakPolarHBondContact O-CG 3.37Å; W959-L962 PolarHBondContact O-N 3.4Å; L962-I985 HydrophobicContact CD2-CB 3.87Å; L962-I985 HydrophobicContact CD2-CD1 3.02Å; L962-I985 HydrophobicContact CD2-CG1 3.83Å; L962-I985 HydrophobicContact CD2-CG2 3.9Å
963	L	49.4	Very low	45.9	Very low	12 Å²	12	65.3 Å²	65.3	6%	0.063	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-86	-12.1	-175.8	-59.3	171.6	0	0	0	114.3	V855 W959 P961 S965 I966	V855-L963 HydrophobicContact CB-CD1 4.24Å; V855-L963 HydrophobicContact CG1-CB 4.33Å; V855-L963 HydrophobicContact CG1-CD1 4.4Å; V855-L963 HydrophobicContact CG2-CD1 3.34Å; W959-L963 HydrophobicContact CD2-CD1 4.32Å; W959-L963 HydrophobicContact CE3-CD1 3.29Å; W959-L963 HydrophobicContact CE3-CD2 3.65Å; W959-L963 HydrophobicContact CE3-CG 3.45Å; W959-L963 VanDerWaalsContact CE3-CG 3.45Å; W959-L963 HydrophobicContact CH2-CD1 3.55Å; W959-L963 HydrophobicContact CZ2-CD1 4.49Å; W959-L963 HydrophobicContact CZ3-CD1 2.9Å; W959-L963 HydrophobicContact CZ3-CD2 3.47Å; W959-L963 VanDerWaalsContact CZ3-CD2 3.47Å; W959-L963 HydrophobicContact CZ3-CG 3.45Å; W959-L963 VanDerWaalsContact CZ3-CG 3.45Å; P961-L963 PolarHBondContact O-N 2.84Å; P961-L963 VanDerWaalsContact O-N 3.09Å; L963-S965 PolarHBondContact O-N 2.63Å; L963-S965 VanDerWaalsContact O-N 3.12Å; L963-I966 HydrophobicContact CD2-CD1 4.22Å
964	R	46.9	Very low	45.1	Very low	117 Å²	117	69.3 Å²	69.3	44%	0.442	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.5	-173.3	-75.1	-179	171.5	-176.5	0.7	113.2	N858 P961	N858-R964 PolarHBondContact O-NE 3.37Å; N858-R964 VanDerWaalsContact O-NE 3.12Å; N858-R964 PolarHBondContact O-NH2 3.15Å; P961-R964 WeakPolarHBondContact O-CB 3.37Å; P961-R964 WeakPolarHBondContact O-CG 3.35Å; P961-R964 PolarHBondContact O-N 2.82Å
965	S	45.6	Very low	44.2	Very low	1 Å²	1	70.4 Å²	70.4	1%	0.007	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.9	27.5	-152.4	45.7	0	0	0	0	113.8	L963 H967 I985	L963-S965 PolarHBondContact O-N 2.63Å; L963-S965 VanDerWaalsContact O-N 3.12Å; S965-H967 PolarHBondContact O-N 2.85Å; S965-I985 WeakPolarHBondContact CB-O 3.45Å; S965-I985 PolarHBondContact OG-O 3.03Å
966	I	45.9	Very low	43.6	Very low	19 Å²	19	72.4 Å²	72.4	10%	0.097	37%	0.372	C	S	.	.			trans	-80.8	107.3	175.4	-57	169.7	0	0	0	109.4	L780 L949 L963 L987	L780-I966 HydrophobicContact CB-CG2 4.12Å; L780-I966 HydrophobicContact CD2-CG2 3.77Å; L949-I966 HydrophobicContact CD1-CD1 3.58Å; L963-I966 HydrophobicContact CD2-CD1 4.22Å; I966-L987 HydrophobicContact CG2-CB 4.39Å
967	H	45.7	Very low	43.1	Very low	99 Å²	99	72.7 Å²	72.7	46%	0.458	37%	0.373	S	S	.	.			trans	-113.3	134	176.2	-68.6	-60.5	0	0	0	111.9	S965 M980	S965-H967 PolarHBondContact O-N 2.85Å; H967-M980 WeakPolarHBondContact CD2-CE 3.42Å; H967-M980 WeakPolarHBondContact NE2-CE 3.41Å
968	H	42.2	Very low	42.4	Very low	48 Å²	48	75.3 Å²	75.3	22%	0.222	38%	0.38	C	S	.	.			trans	-79.6	-11	-175.2	-79.5	-78.2	0	0	0	116	L780 K970	L780-H968 VanDerWaalsContact CA-NE2 3.25Å; L780-H968 WeakPolarHBondContact CA-NE2 3.48Å; L780-H968 VanDerWaalsContact CB-NE2 3.33Å; L780-H968 WeakPolarHBondContact CB-NE2 3.3Å; L780-H968 WeakPolarHBondContact CD1-CE1 3.45Å; L780-H968 PolarHBondContact N-NE2 3.42Å; H968-K970 PolarHBondContact O-N 3.45Å; H968-K970 VanDerWaalsContact O-N 3.14Å
969	N	38	Very low	41.8	Very low	128 Å²	128	83.3 Å²	83.3	68%	0.684	41%	0.411	S	S	*	.			trans	-72.7	113.6	-164.4	-100.9	-24.2	0	0	0	112.7	S971	N969-S971 PolarHBondContact O-N 3.5Å; N969-S971 VanDerWaalsContact O-N 3.11Å
970	K	38	Very low	41.1	Very low	108 Å²	108	85.5 Å²	85.5	47%	0.47	42%	0.423	S	S	.	.	S	Bend	trans	-66.3	-0.2	178.6	-83.9	-179.3	-174.3	153.7	0	116.3	D936 H968 R989	D936-K970 HydrophobicContact CB-CD 4.43Å; D936-K970 PolarHBondContact O-NZ 3.25Å; D936-K970 IonicContact OD1-NZ 3.15Å; D936-K970 PolarHBondContact OD1-NZ 2.76Å; H968-K970 PolarHBondContact O-N 3.45Å; H968-K970 VanDerWaalsContact O-N 3.14Å; K970-R989 VanDerWaalsContact CE-NH1 3.29Å
971	S	35.9	Very low	40.4	Very low	105 Å²	105	88.4 Å²	88.4	73%	0.734	44%	0.441	S	S	*	.			trans	-141.7	71.4	-165.2	171.8	0	0	0	0	111.8	N969	N969-S971 PolarHBondContact O-N 3.5Å; N969-S971 VanDerWaalsContact O-N 3.11Å
972	K	36.4	Very low	40.2	Very low	119 Å²	119	90.6 Å²	90.6	52%	0.517	46%	0.457	S	S	.	.			trans	-141.2	118.5	160.3	-68.6	-164.7	177.3	-171.4	0	110.2	E976	K972-E976 HydrophobicContact CB-CB 4.39Å; K972-E976 HydrophobicContact CD-CB 4.47Å
973	N	35.8	Very low	39.8	Very low	122 Å²	122	90.9 Å²	90.9	65%	0.652	46%	0.459	S	S	*	.			trans	-47	148.1	168.6	-100.5	-34.7	0	0	0	111	T975 E976	N973-T975 PolarHBondContact O-N 3.42Å; N973-E976 PolarHBondContact O-N 3.04Å
974	P	37.3	Very low	39.5	Very low	85 Å²	85	92.2 Å²	92.2	55%	0.552	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-26	174.5	-26.8	33.3	0	0	0	114.6
975	T	36.5	Very low	39.4	Very low	102 Å²	102	86.9 Å²	86.9	63%	0.626	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-24.7	178.7	33.1	0	0	0	0	114.7	N973	N973-T975 PolarHBondContact O-N 3.42Å
976	E	37.7	Very low	39.5	Very low	115 Å²	115	87.5 Å²	87.5	54%	0.537	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-14	174.4	-73.3	-161.8	162.7	0	0	113.5	K972 N973 K978 K979	K972-E976 HydrophobicContact CB-CB 4.39Å; K972-E976 HydrophobicContact CD-CB 4.47Å; N973-E976 PolarHBondContact O-N 3.04Å; E976-K978 PolarHBondContact O-N 3.48Å; E976-K979 PolarHBondContact O-N 3.05Å
977	L	37.4	Very low	39.5	Very low	29 Å²	29	86.9 Å²	86.9	15%	0.152	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-61.7	-22.6	170	-88.7	142.9	0	0	0	112.4	K979 M980 I988	L977-K979 PolarHBondContact O-N 2.78Å; L977-M980 PolarHBondContact O-N 2.95Å; L977-I988 HydrophobicContact CD1-CD1 4.18Å; L977-I988 HydrophobicContact CD2-CD1 4.2Å
978	K	34.8	Very low	39.6	Very low	149 Å²	149	84 Å²	84	65%	0.648	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-59.2	-12.4	171.9	-73.9	-171.5	175.3	-175	0	114.7	E976 E981	E976-K978 PolarHBondContact O-N 3.48Å; K978-E981 WeakPolarHBondContact O-CG 3.45Å
979	K	37.3	Very low	39.5	Very low	194 Å²	194	86.9 Å²	86.9	84%	0.843	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-92.6	-2.8	175	-84	-175.2	176	177.5	0	114.1	E976 L977	E976-K979 PolarHBondContact O-N 3.05Å; L977-K979 PolarHBondContact O-N 2.78Å
980	M	37.6	Very low	39.9	Very low	72 Å²	72	86 Å²	86	36%	0.355	44%	0.441	S	S	.	.			trans	-99.5	56.8	174.1	-67.2	-172.3	136.2	0	0	109.6	H967 L977 S982 Y986	H967-M980 WeakPolarHBondContact CD2-CE 3.42Å; H967-M980 WeakPolarHBondContact NE2-CE 3.41Å; L977-M980 PolarHBondContact O-N 2.95Å; M980-S982 VanDerWaalsContact C-N 3.26Å; M980-S982 PolarHBondContact O-N 3.29Å; M980-Y986 HydrophobicContact CB-CE1 4.41Å; M980-Y986 PolarHBondContact O-OH 3.13Å
981	E	36.2	Very low	40.2	Very low	152 Å²	152	81.8 Å²	81.8	71%	0.71	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	40.8	-171.3	-63.8	-179.4	143.4	0	0	114.8	K978	K978-E981 WeakPolarHBondContact O-CG 3.45Å
982	S	43.2	Very low	40.4	Very low	96 Å²	96	81.5 Å²	81.5	67%	0.671	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.8	-2	179.7	66.1	0	0	0	0	118.1	M980	M980-S982 VanDerWaalsContact C-N 3.26Å; M980-S982 PolarHBondContact O-N 3.29Å
983	D	38.6	Very low	40.2	Very low	37 Å²	37	83.2 Å²	83.2	20%	0.198	44%	0.438	C	S	.	.			trans	-128	132.6	180	-73.7	-45.2	0	0	0	111.3	I985 Y986	D983-I985 PolarHBondContact O-N 3.06Å; D983-Y986 HydrophobicContact CB-CE1 4.19Å; D983-Y986 WeakPolarHBondContact O-CE2 3.43Å; D983-Y986 PolarHBondContact O-OH 2.94Å
984	S	42.5	Very low	40.2	Very low	39 Å²	39	79.7 Å²	79.7	27%	0.273	42%	0.424	S	S	.	.	S	Bend	trans	-79	-14.2	-169.1	42.8	0	0	0	0	114.6	N1039	S984-N1039 PolarHBondContact O-N 3.12Å
985	I	45.5	Very low	40.2	Very low	6 Å²	6	83 Å²	83	3%	0.031	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	142	-172.2	-59.4	-171.8	0	0	0	110.8	L962 S965 D983 L1036 C1037 I1038 Y1043	L962-I985 HydrophobicContact CD2-CB 3.87Å; L962-I985 HydrophobicContact CD2-CD1 3.02Å; L962-I985 HydrophobicContact CD2-CG1 3.83Å; L962-I985 HydrophobicContact CD2-CG2 3.9Å; S965-I985 WeakPolarHBondContact CB-O 3.45Å; S965-I985 PolarHBondContact OG-O 3.03Å; D983-I985 PolarHBondContact O-N 3.06Å; I985-L1036 HydrophobicContact CG2-CD1 3.44Å; I985-L1036 VanDerWaalsContact CG2-CD1 3.44Å; I985-L1036 HydrophobicContact CG2-CD2 3.93Å; I985-L1036 HydrophobicContact CG2-CG 3.56Å; I985-C1037 CarbonylContact C-O 3.44Å; I985-C1037 VanDerWaalsContact CA-O 3.27Å; I985-C1037 WeakPolarHBondContact CA-O 3.31Å; I985-I1038 HydrophobicContact CD1-CD1 4.11Å; I985-I1038 HydrophobicContact CD1-CG1 3.94Å; I985-I1038 HydrophobicContact CD1-CG2 4.18Å; I985-I1038 HydrophobicContact CG1-CB 4.29Å; I985-I1038 HydrophobicContact CG1-CG1 3.94Å; I985-I1038 HydrophobicContact CG1-CG2 4.04Å; I985-I1038 HydrophobicContact CG2-CG1 4.19Å; I985-Y1043 HydrophobicContact CD1-CD2 3.78Å; I985-Y1043 HydrophobicContact CD1-CE2 3.53Å; I985-Y1043 HydrophobicContact CG1-CD2 4.23Å; I985-Y1043 HydrophobicContact CG1-CE2 4.43Å
986	Y	47.8	Very low	40.5	Very low	13 Å²	13	79.2 Å²	79.2	5%	0.051	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	164.3	-178	-54.7	-89.5	0	0	0	112.2	M980 D983 L1036 C1037	M980-Y986 HydrophobicContact CB-CE1 4.41Å; M980-Y986 PolarHBondContact O-OH 3.13Å; D983-Y986 HydrophobicContact CB-CE1 4.19Å; D983-Y986 WeakPolarHBondContact O-CE2 3.43Å; D983-Y986 PolarHBondContact O-OH 2.94Å; Y986-L1036 CarbonylContact O-C 3.57Å; Y986-L1036 VanDerWaalsContact O-CA 3.25Å; Y986-L1036 WeakPolarHBondContact O-CA 3.31Å; Y986-C1037 PolarHBondContact N-O 3.33Å; Y986-C1037 PolarHBondContact O-N 2.82Å
987	L	44.5	Very low	40.7	Very low	7 Å²	7	76.6 Å²	76.6	4%	0.037	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119.9	168.9	-159.6	87.3	0	0	0	109.3	I945 L949 I966 V1027 W1034 H1035	I945-L987 HydrophobicContact CG2-CD2 3.98Å; L949-L987 HydrophobicContact CD2-CD1 4.29Å; I966-L987 HydrophobicContact CG2-CB 4.39Å; L987-V1027 HydrophobicContact CD1-CG2 3.75Å; L987-W1034 HydrophobicContact CB-CE3 4.44Å; L987-W1034 HydrophobicContact CD2-CD2 3.95Å; L987-W1034 HydrophobicContact CD2-CE3 3.37Å; L987-W1034 HydrophobicContact CD2-CZ3 3.76Å; L987-W1034 HydrophobicContact CG-CD2 4.44Å; L987-W1034 HydrophobicContact CG-CE3 3.63Å; L987-W1034 HydrophobicContact CG-CZ3 4.2Å; L987-H1035 CarbonylContact C-O 3.56Å; L987-H1035 WeakPolarHBondContact CA-O 3.35Å
988	I	48.3	Very low	41.1	Very low	38 Å²	38	83.7 Å²	83.7	20%	0.195	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146.7	-174.9	-59.8	176.5	0	0	0	110.3	L977 Y1024 W1034 H1035 C1037	L977-I988 HydrophobicContact CD1-CD1 4.18Å; L977-I988 HydrophobicContact CD2-CD1 4.2Å; I988-Y1024 HydrophobicContact CD1-CE1 4.24Å; I988-W1034 CarbonylContact O-C 3.58Å; I988-W1034 WeakPolarHBondContact O-CA 3.41Å; I988-H1035 PolarHBondContact N-O 2.91Å; I988-H1035 PolarHBondContact O-N 3.28Å; I988-C1037 HydrophobicContact CD1-CB 3.72Å; I988-C1037 HydrophobicContact CG1-CB 4.19Å
989	R	40.5	Very low	41.5	Very low	108 Å²	108	82.8 Å²	82.8	41%	0.408	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.3	173.2	-164.1	-177.1	173.6	166.3	-4.8	110.4	K970 D1033 W1034	K970-R989 VanDerWaalsContact CE-NH1 3.29Å; R989-D1033 CarbonylContact C-O 3.58Å; R989-D1033 WeakPolarHBondContact CA-O 3.5Å; R989-D1033 HydrophobicContact CG-CB 3.44Å; R989-D1033 VanDerWaalsContact CG-CB 3.44Å; R989-D1033 IonicContact CZ-OD2 3.76Å; R989-D1033 IonicContact NE-OD2 3.76Å; R989-D1033 PolarHBondContact NE-OD2 2.86Å; R989-D1033 IonicContact NH2-OD2 2.65Å; R989-D1033 PolarHBondContact NH2-OD2 2.95Å; R989-W1034 HydrophobicContact CB-CD2 4.46Å; R989-W1034 HydrophobicContact CB-CE3 4.34Å; R989-W1034 HydrophobicContact CB-CZ3 4.42Å
990	N	45.7	Very low	41.9	Very low	111 Å²	111	76.7 Å²	76.7	59%	0.594	41%	0.411	S	S	*	.			trans	63.5	105.9	-175.5	-80.7	-11	0	0	0	115	D1033	N990-D1033 PolarHBondContact N-O 2.88Å
991	A	45.5	Very low	42.3	Very low	18 Å²	18	74.4 Å²	74.4	15%	0.149	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-101	130.4	161.9	0	0	0	0	0	108.7	I1017 Y1024	A991-I1017 HydrophobicContact CB-CB 4.45Å; A991-I1017 HydrophobicContact CB-CD1 3.94Å; A991-I1017 HydrophobicContact CB-CG2 4.21Å; A991-Y1024 HydrophobicContact CB-CD1 3.73Å; A991-Y1024 HydrophobicContact CB-CD2 4.21Å; A991-Y1024 HydrophobicContact CB-CE1 4.19Å; A991-Y1024 HydrophobicContact CB-CG 3.74Å
992	S	38.8	Very low	42.8	Very low	100 Å²	100	69.3 Å²	69.3	70%	0.699	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-73.7	138.4	173.5	48.8	0	0	0	0	111.1	S994 I1017	S992-S994 PolarHBondContact O-N 3.42Å; S992-I1017 VanDerWaalsContact O-CG2 3.26Å; S992-I1017 WeakPolarHBondContact O-CG2 3.36Å
993	D	32.1	Very low	42.9	Very low	154 Å²	154	67 Å²	67	82%	0.824	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-49.5	121.3	-171.8	-61.5	-40.6	0	0	0	115.7
994	S	37.2	Very low	43.4	Very low	49 Å²	49	66 Å²	66	34%	0.343	36%	0.362	S	S	.	.			trans	-164.8	123.3	157.8	48.5	0	0	0	0	111.2	S992 I1017 A1018	S992-S994 PolarHBondContact O-N 3.42Å; S994-I1017 CarbonylContact O-C 3.56Å; S994-I1017 WeakPolarHBondContact O-CA 3.39Å; S994-A1018 WeakPolarHBondContact CB-O 3.24Å; S994-A1018 PolarHBondContact O-N 3.16Å; S994-A1018 PolarHBondContact OG-O 2.84Å
995	H	36.1	Very low	43.7	Very low	153 Å²	153	68.6 Å²	68.6	71%	0.708	37%	0.369	S	S	*	.	B	Isolated β-bridge	trans	-66.7	140.5	-168.8	-61.2	-79.4	0	0	0	115.8
996	V	43.1	Very low	43.8	Very low	24 Å²	24	68.6 Å²	68.6	15%	0.145	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-85	144.5	167	175	0	0	0	0	110.2	E1000 M1016 I1017 A1018	V996-E1000 HydrophobicContact CG1-CB 3.48Å; V996-E1000 VanDerWaalsContact CG1-CB 3.48Å; V996-M1016 HydrophobicContact CB-CB 3.76Å; V996-M1016 HydrophobicContact CG1-CB 4.32Å; V996-M1016 HydrophobicContact CG2-CB 3.48Å; V996-M1016 VanDerWaalsContact CG2-CB 3.48Å; V996-M1016 VanDerWaalsContact CG2-O 3.28Å; V996-M1016 WeakPolarHBondContact CG2-O 3.17Å; V996-M1016 PolarHBondContact N-O 2.82Å; V996-I1017 VanDerWaalsContact CG2-C 3.42Å; V996-A1018 HydrophobicContact CB-CB 4.42Å; V996-A1018 HydrophobicContact CG2-CB 3.58Å
997	S	41.5	Very low	43.8	Very low	59 Å²	59	69.6 Å²	69.6	41%	0.413	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-73.8	156.9	176.8	72.6	0	0	0	0	113.1	D999 E1000 S1001	S997-D999 VanDerWaalsContact C-N 3.29Å; S997-D999 PolarHBondContact O-N 3.42Å; S997-E1000 PolarHBondContact O-N 3.22Å; S997-E1000 WeakPolarHBondContact OG-CG 3.19Å; S997-E1000 PolarHBondContact OG-N 3.08Å; S997-S1001 PolarHBondContact O-N 3.37Å
998	E	45.6	Very low	44	Very low	179 Å²	179	69.8 Å²	69.8	84%	0.836	38%	0.377	S	S	*	.	H	α-helix	trans	-54.9	-41.2	177.6	-88.2	-177.1	148.3	0	0	113	S1001 A1002	E998-S1001 WeakPolarHBondContact O-CB 3.36Å; E998-S1001 PolarHBondContact O-N 3.42Å; E998-A1002 PolarHBondContact O-N 3.39Å
999	D	44.6	Very low	43.8	Very low	129 Å²	129	69.5 Å²	69.5	69%	0.69	38%	0.379	S	S	*	.	H	α-helix	trans	-64.2	-45.3	178.7	-65.9	-32.1	0	0	0	111.5	S997 S1001 A1002 V1003	S997-D999 VanDerWaalsContact C-N 3.29Å; S997-D999 PolarHBondContact O-N 3.42Å; D999-S1001 VanDerWaalsContact C-N 3.33Å; D999-S1001 PolarHBondContact O-N 2.86Å; D999-A1002 PolarHBondContact O-N 3.03Å; D999-V1003 WeakPolarHBondContact O-CG2 3.49Å; D999-V1003 PolarHBondContact O-N 2.86Å; D999-V1003 VanDerWaalsContact O-N 3.08Å
1000	E	44.5	Very low	44.1	Very low	67 Å²	67	65.3 Å²	65.3	31%	0.313	36%	0.364	S	S	.	.	H	α-helix	trans	-63.6	-39.5	176.8	-72	-173.7	166.8	0	0	111.4	V996 S997 A1002 V1003 L1004 K1040	V996-E1000 HydrophobicContact CG1-CB 3.48Å; V996-E1000 VanDerWaalsContact CG1-CB 3.48Å; S997-E1000 PolarHBondContact O-N 3.22Å; S997-E1000 WeakPolarHBondContact OG-CG 3.19Å; S997-E1000 PolarHBondContact OG-N 3.08Å; E1000-A1002 PolarHBondContact O-N 2.97Å; E1000-V1003 PolarHBondContact O-N 3.49Å; E1000-L1004 WeakPolarHBondContact O-CB 3.48Å; E1000-L1004 VanDerWaalsContact O-CD1 3.24Å; E1000-L1004 WeakPolarHBondContact O-CD1 3.4Å; E1000-L1004 WeakPolarHBondContact O-CG 3.44Å; E1000-L1004 PolarHBondContact O-N 3.11Å; E1000-K1040 IonicContact OE1-NZ 3.32Å; E1000-K1040 PolarHBondContact OE1-NZ 3.35Å; E1000-K1040 IonicContact OE2-NZ 3.29Å; E1000-K1040 PolarHBondContact OE2-NZ 2.95Å
1001	S	45.8	Very low	43.9	Very low	23 Å²	23	66.4 Å²	66.4	16%	0.161	37%	0.37	C	S	.	.	H	α-helix	trans	-62.2	-40.5	174.3	-168.9	0	0	0	0	112.1	S997 E998 D999 L1004 K1005 M1016	S997-S1001 PolarHBondContact O-N 3.37Å; E998-S1001 WeakPolarHBondContact O-CB 3.36Å; E998-S1001 PolarHBondContact O-N 3.42Å; D999-S1001 VanDerWaalsContact C-N 3.33Å; D999-S1001 PolarHBondContact O-N 2.86Å; S1001-L1004 PolarHBondContact O-N 3.3Å; S1001-K1005 WeakPolarHBondContact O-CB 3.27Å; S1001-K1005 VanDerWaalsContact O-CG 3.31Å; S1001-K1005 WeakPolarHBondContact O-CG 3.48Å; S1001-K1005 PolarHBondContact O-N 3.46Å; S1001-M1016 PolarHBondContact OG-SD 2.94Å
1002	A	47.4	Very low	43.9	Very low	46 Å²	46	66.9 Å²	66.9	38%	0.38	37%	0.369	S	S	.	.	H	α-helix	trans	-64.4	-45.8	178.2	0	0	0	0	0	112	E998 D999 E1000 L1004 K1005 A1006	E998-A1002 PolarHBondContact O-N 3.39Å; D999-A1002 PolarHBondContact O-N 3.03Å; E1000-A1002 PolarHBondContact O-N 2.97Å; A1002-L1004 VanDerWaalsContact C-N 3.32Å; A1002-L1004 PolarHBondContact O-N 2.86Å; A1002-K1005 PolarHBondContact O-N 2.97Å; A1002-A1006 VanDerWaalsContact O-CB 3.32Å; A1002-A1006 WeakPolarHBondContact O-CB 3.38Å; A1002-A1006 PolarHBondContact O-N 2.85Å
1003	V	45.6	Very low	44	Very low	48 Å²	48	69.6 Å²	69.6	29%	0.291	37%	0.368	S	S	.	.	H	α-helix	trans	-61.1	-41.2	176	178.8	0	0	0	0	111.1	D999 E1000 A1006 L1007 C1103	D999-V1003 WeakPolarHBondContact O-CG2 3.49Å; D999-V1003 PolarHBondContact O-N 2.86Å; D999-V1003 VanDerWaalsContact O-N 3.08Å; E1000-V1003 PolarHBondContact O-N 3.49Å; V1003-A1006 WeakPolarHBondContact O-CB 3.47Å; V1003-A1006 PolarHBondContact O-N 3.46Å; V1003-L1007 HydrophobicContact CG1-CD1 3.93Å; V1003-L1007 HydrophobicContact CG1-CG 4.44Å; V1003-L1007 WeakPolarHBondContact O-CB 3.47Å; V1003-L1007 VanDerWaalsContact O-CG 3.28Å; V1003-L1007 WeakPolarHBondContact O-CG 3.38Å; V1003-L1007 PolarHBondContact O-N 3.09Å; V1003-C1103 WeakPolarHBondContact CG2-O 3.25Å
1004	L	48.2	Very low	44.5	Very low	14 Å²	14	65.3 Å²	65.3	7%	0.073	35%	0.35	C	S	.	.	H	α-helix	trans	-72.3	-38.7	179.1	-69	161.7	0	0	0	113.1	E1000 S1001 A1002 A1006 L1007 T1008 F1012 M1016 V1023 I1025 I1038	E1000-L1004 WeakPolarHBondContact O-CB 3.48Å; E1000-L1004 VanDerWaalsContact O-CD1 3.24Å; E1000-L1004 WeakPolarHBondContact O-CD1 3.4Å; E1000-L1004 WeakPolarHBondContact O-CG 3.44Å; E1000-L1004 PolarHBondContact O-N 3.11Å; S1001-L1004 PolarHBondContact O-N 3.3Å; A1002-L1004 VanDerWaalsContact C-N 3.32Å; A1002-L1004 PolarHBondContact O-N 2.86Å; L1004-A1006 VanDerWaalsContact C-N 3.29Å; L1004-L1007 PolarHBondContact O-N 2.98Å; L1004-T1008 WeakPolarHBondContact O-CB 3.33Å; L1004-T1008 WeakPolarHBondContact O-CG2 3.33Å; L1004-T1008 PolarHBondContact O-N 3.01Å; L1004-T1008 PolarHBondContact O-OG1 3.29Å; L1004-F1012 HydrophobicContact CB-CE2 4.24Å; L1004-M1016 HydrophobicContact CB-CE 4.17Å; L1004-M1016 HydrophobicContact CD1-CE 3.89Å; L1004-M1016 HydrophobicContact CD1-SD 4.23Å; L1004-V1023 HydrophobicContact CD1-CB 4.38Å; L1004-V1023 HydrophobicContact CD1-CG1 3.28Å; L1004-V1023 HydrophobicContact CD1-CG2 4.25Å; L1004-V1023 HydrophobicContact CD2-CG1 3.97Å; L1004-V1023 HydrophobicContact CG-CG1 4.26Å; L1004-I1025 HydrophobicContact CD2-CD1 4.16Å; L1004-I1038 HydrophobicContact CD2-CD1 4.11Å
1005	K	50	Low	44.6	Very low	95 Å²	95	69.2 Å²	69.2	41%	0.413	37%	0.367	S	S	.	.	H	α-helix	trans	-60.6	-43	171.2	-79.6	179	-175.5	170.4	0	110.1	S1001 A1002 S1009 F1012	S1001-K1005 WeakPolarHBondContact O-CB 3.27Å; S1001-K1005 VanDerWaalsContact O-CG 3.31Å; S1001-K1005 WeakPolarHBondContact O-CG 3.48Å; S1001-K1005 PolarHBondContact O-N 3.46Å; A1002-K1005 PolarHBondContact O-N 2.97Å; K1005-S1009 VanDerWaalsContact O-CA 3.24Å; K1005-S1009 WeakPolarHBondContact O-CA 3.4Å; K1005-S1009 PolarHBondContact O-N 3.45Å; K1005-F1012 HydrophobicContact CB-CE2 4.19Å; K1005-F1012 HydrophobicContact CD-CD2 4.18Å; K1005-F1012 HydrophobicContact CG-CD2 3.37Å; K1005-F1012 HydrophobicContact CG-CE2 3.37Å
1006	A	48	Very low	44.9	Very low	6 Å²	6	62.3 Å²	62.3	5%	0.05	34%	0.335	C	S	.	.	H	α-helix	trans	-61.3	-55.3	175.4	0	0	0	0	0	110.3	A1002 V1003 L1004 T1008 Q1100 C1103	A1002-A1006 VanDerWaalsContact O-CB 3.32Å; A1002-A1006 WeakPolarHBondContact O-CB 3.38Å; A1002-A1006 PolarHBondContact O-N 2.85Å; V1003-A1006 WeakPolarHBondContact O-CB 3.47Å; V1003-A1006 PolarHBondContact O-N 3.46Å; L1004-A1006 VanDerWaalsContact C-N 3.29Å; A1006-T1008 PolarHBondContact O-N 2.87Å; A1006-Q1100 VanDerWaalsContact O-CD 3.27Å; A1006-Q1100 WeakPolarHBondContact O-CG 3.46Å; A1006-Q1100 PolarHBondContact O-NE2 2.99Å; A1006-C1103 HydrophobicContact CB-CB 3.42Å; A1006-C1103 VanDerWaalsContact CB-CB 3.42Å
1007	L	46.6	Very low	45.2	Very low	33 Å²	33	62 Å²	62	17%	0.173	33%	0.333	C	S	.	.	H	α-helix	trans	-57.9	-41.6	-178.9	-79	171.7	0	0	0	114.3	V1003 L1004 L1104	V1003-L1007 HydrophobicContact CG1-CD1 3.93Å; V1003-L1007 HydrophobicContact CG1-CG 4.44Å; V1003-L1007 WeakPolarHBondContact O-CB 3.47Å; V1003-L1007 VanDerWaalsContact O-CG 3.28Å; V1003-L1007 WeakPolarHBondContact O-CG 3.38Å; V1003-L1007 PolarHBondContact O-N 3.09Å; L1004-L1007 PolarHBondContact O-N 2.98Å; L1007-L1104 HydrophobicContact CD1-CD2 4.39Å; L1007-L1104 HydrophobicContact CD2-CD1 3.38Å; L1007-L1104 HydrophobicContact CD2-CD2 3.9Å; L1007-L1104 HydrophobicContact CD2-CG 3.55Å; L1007-L1104 HydrophobicContact CG-CD1 4.45Å; L1007-L1104 HydrophobicContact CG-CD2 4.49Å; L1007-L1104 HydrophobicContact CG-CG 4.17Å
1008	T	48.9	Very low	45.3	Very low	11 Å²	11	60.1 Å²	60.1	7%	0.067	32%	0.321	C	S	.	.	H	α-helix	trans	-101.1	-19.5	-170.6	64.4	0	0	0	0	114.5	L1004 A1006 I1010 F1012 I1025	L1004-T1008 WeakPolarHBondContact O-CB 3.33Å; L1004-T1008 WeakPolarHBondContact O-CG2 3.33Å; L1004-T1008 PolarHBondContact O-N 3.01Å; L1004-T1008 PolarHBondContact O-OG1 3.29Å; A1006-T1008 PolarHBondContact O-N 2.87Å; T1008-I1010 HydrophobicContact CG2-CD1 4.35Å; T1008-I1010 PolarHBondContact O-N 3.22Å; T1008-I1010 VanDerWaalsContact O-N 3.15Å; T1008-I1010 PolarHBondContact OG1-N 3.35Å; T1008-F1012 WeakPolarHBondContact OG1-CZ 3.2Å; T1008-I1025 HydrophobicContact CG2-CD1 3.95Å
1009	S	45	Very low	45.4	Very low	33 Å²	33	53.7 Å²	53.7	23%	0.231	30%	0.296	C	S	.	.			trans	54.4	17.6	-166.9	-59	0	0	0	0	114.8	K1005 K1096 Q1100	K1005-S1009 VanDerWaalsContact O-CA 3.24Å; K1005-S1009 WeakPolarHBondContact O-CA 3.4Å; K1005-S1009 PolarHBondContact O-N 3.45Å; S1009-K1096 WeakPolarHBondContact OG-CE 3.46Å; S1009-K1096 PolarHBondContact OG-NZ 3.17Å; S1009-Q1100 PolarHBondContact OG-NE2 3.41Å
1010	I	45.4	Very low	45.8	Very low	19 Å²	19	55.3 Å²	55.3	10%	0.097	30%	0.304	C	S	.	.			trans	-82.6	128.1	177.6	-60.4	168.2	0	0	0	108.5	V952 T1008 F1012 I1025	V952-I1010 HydrophobicContact CG1-CD1 3.98Å; V952-I1010 HydrophobicContact CG2-CD1 4Å; V952-I1010 HydrophobicContact CG2-CG1 4.44Å; T1008-I1010 HydrophobicContact CG2-CD1 4.35Å; T1008-I1010 PolarHBondContact O-N 3.22Å; T1008-I1010 VanDerWaalsContact O-N 3.15Å; T1008-I1010 PolarHBondContact OG1-N 3.35Å; I1010-F1012 HydrophobicContact CB-CD1 4.22Å; I1010-F1012 HydrophobicContact CB-CE1 3.52Å; I1010-F1012 HydrophobicContact CB-CZ 3.9Å; I1010-F1012 HydrophobicContact CD1-CE1 4.32Å; I1010-F1012 HydrophobicContact CG2-CD1 3.71Å; I1010-F1012 HydrophobicContact CG2-CE1 3.42Å; I1010-F1012 VanDerWaalsContact CG2-CE1 3.42Å; I1010-F1012 HydrophobicContact CG2-CZ 4.3Å; I1010-F1012 PolarHBondContact O-N 3.26Å; I1010-I1025 HydrophobicContact CD1-CG2 4.29Å
1011	N	42.2	Very low	46.4	Very low	135 Å²	135	55.4 Å²	55.4	72%	0.722	31%	0.307	S	S	*	.			trans	-75.1	108.1	166.5	-87	-18.9	0	0	0	108.8
1012	F	45	Very low	46.8	Very low	27 Å²	27	56 Å²	56	12%	0.118	31%	0.306	C	S	.	.			trans	-79.6	129.7	173.8	-52	-55.2	0	0	0	110	L1004 K1005 T1008 I1010 M1016 I1025	L1004-F1012 HydrophobicContact CB-CE2 4.24Å; K1005-F1012 HydrophobicContact CB-CE2 4.19Å; K1005-F1012 HydrophobicContact CD-CD2 4.18Å; K1005-F1012 HydrophobicContact CG-CD2 3.37Å; K1005-F1012 HydrophobicContact CG-CE2 3.37Å; T1008-F1012 WeakPolarHBondContact OG1-CZ 3.2Å; I1010-F1012 HydrophobicContact CB-CD1 4.22Å; I1010-F1012 HydrophobicContact CB-CE1 3.52Å; I1010-F1012 HydrophobicContact CB-CZ 3.9Å; I1010-F1012 HydrophobicContact CD1-CE1 4.32Å; I1010-F1012 HydrophobicContact CG2-CD1 3.71Å; I1010-F1012 HydrophobicContact CG2-CE1 3.42Å; I1010-F1012 VanDerWaalsContact CG2-CE1 3.42Å; I1010-F1012 HydrophobicContact CG2-CZ 4.3Å; I1010-F1012 PolarHBondContact O-N 3.26Å; F1012-M1016 HydrophobicContact CD1-CE 3.95Å; F1012-M1016 HydrophobicContact CD2-CE 3.63Å; F1012-M1016 HydrophobicContact CD2-SD 3.64Å; F1012-M1016 HydrophobicContact CE1-CE 3.74Å; F1012-M1016 HydrophobicContact CE2-CE 3.36Å; F1012-M1016 HydrophobicContact CE2-SD 3.84Å; F1012-M1016 HydrophobicContact CG-CE 3.93Å; F1012-M1016 HydrophobicContact CG-CG 4.45Å; F1012-M1016 HydrophobicContact CG-SD 4.11Å; F1012-M1016 HydrophobicContact CZ-CE 3.44Å; F1012-M1016 VanDerWaalsContact CZ-CE 3.44Å; F1012-M1016 HydrophobicContact CZ-SD 4.49Å; F1012-I1025 HydrophobicContact CD1-CG2 4.02Å; F1012-I1025 HydrophobicContact CE1-CB 4.43Å; F1012-I1025 HydrophobicContact CE1-CG2 3.24Å; F1012-I1025 HydrophobicContact CZ-CD1 4.34Å; F1012-I1025 HydrophobicContact CZ-CG2 3.95Å
1013	K	41.5	Very low	47.1	Very low	158 Å²	158	54.1 Å²	54.1	69%	0.687	29%	0.29	S	S	*	.			trans	-92.2	-19.9	175.7	-84.7	-174.4	173.9	-175.9	0	113.8
1014	S	41.5	Very low	47.6	Very low	64 Å²	64	52.9 Å²	52.9	45%	0.448	28%	0.28	S	S	.	.	S	Bend	trans	-134.4	160.6	-173.2	57.4	0	0	0	0	112.4	M1016	S1014-M1016 PolarHBondContact O-N 2.86Å
1015	D	39.6	Very low	47.9	Very low	131 Å²	131	52.3 Å²	52.3	70%	0.701	28%	0.277	S	S	*	.			trans	-60.2	122.7	179.3	-65.1	-32.5	0	0	0	110.5
1016	M	43.4	Very low	48	Very low	7 Å²	7	48.9 Å²	48.9	3%	0.034	27%	0.265	C	S	.	.			trans	-75.7	153.5	-176.4	-53.4	173.3	93.3	0	0	110.3	V996 S1001 L1004 F1012 S1014 I1025	V996-M1016 HydrophobicContact CB-CB 3.76Å; V996-M1016 HydrophobicContact CG1-CB 4.32Å; V996-M1016 HydrophobicContact CG2-CB 3.48Å; V996-M1016 VanDerWaalsContact CG2-CB 3.48Å; V996-M1016 VanDerWaalsContact CG2-O 3.28Å; V996-M1016 WeakPolarHBondContact CG2-O 3.17Å; V996-M1016 PolarHBondContact N-O 2.82Å; S1001-M1016 PolarHBondContact OG-SD 2.94Å; L1004-M1016 HydrophobicContact CB-CE 4.17Å; L1004-M1016 HydrophobicContact CD1-CE 3.89Å; L1004-M1016 HydrophobicContact CD1-SD 4.23Å; F1012-M1016 HydrophobicContact CD1-CE 3.95Å; F1012-M1016 HydrophobicContact CD2-CE 3.63Å; F1012-M1016 HydrophobicContact CD2-SD 3.64Å; F1012-M1016 HydrophobicContact CE1-CE 3.74Å; F1012-M1016 HydrophobicContact CE2-CE 3.36Å; F1012-M1016 HydrophobicContact CE2-SD 3.84Å; F1012-M1016 HydrophobicContact CG-CE 3.93Å; F1012-M1016 HydrophobicContact CG-CG 4.45Å; F1012-M1016 HydrophobicContact CG-SD 4.11Å; F1012-M1016 HydrophobicContact CZ-CE 3.44Å; F1012-M1016 VanDerWaalsContact CZ-CE 3.44Å; F1012-M1016 HydrophobicContact CZ-SD 4.49Å; S1014-M1016 PolarHBondContact O-N 2.86Å; M1016-I1025 HydrophobicContact CE-CB 4.23Å; M1016-I1025 HydrophobicContact CE-CD1 4.35Å; M1016-I1025 HydrophobicContact CE-CG1 3.64Å; M1016-I1025 HydrophobicContact CE-CG2 4.32Å
1017	I	48.1	Very low	48.2	Very low	19 Å²	19	49.2 Å²	49.2	10%	0.097	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.4	-176.5	-62.6	167.3	0	0	0	110.8	A991 S992 S994 V996 Y1024	A991-I1017 HydrophobicContact CB-CB 4.45Å; A991-I1017 HydrophobicContact CB-CD1 3.94Å; A991-I1017 HydrophobicContact CB-CG2 4.21Å; S992-I1017 VanDerWaalsContact O-CG2 3.26Å; S992-I1017 WeakPolarHBondContact O-CG2 3.36Å; S994-I1017 CarbonylContact O-C 3.56Å; S994-I1017 WeakPolarHBondContact O-CA 3.39Å; V996-I1017 VanDerWaalsContact CG2-C 3.42Å; I1017-Y1024 HydrophobicContact CB-CD2 4.38Å; I1017-Y1024 HydrophobicContact CG2-CD2 3.99Å; I1017-Y1024 WeakPolarHBondContact O-CB 3.33Å; I1017-Y1024 WeakPolarHBondContact O-CD2 3.41Å; I1017-Y1024 PolarHBondContact O-N 3.25Å
1018	A	44	Very low	48.1	Very low	18 Å²	18	52.2 Å²	52.2	15%	0.149	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.1	175.8	0	0	0	0	0	110.8	S994 V996	S994-A1018 WeakPolarHBondContact CB-O 3.24Å; S994-A1018 PolarHBondContact O-N 3.16Å; S994-A1018 PolarHBondContact OG-O 2.84Å; V996-A1018 HydrophobicContact CB-CB 4.42Å; V996-A1018 HydrophobicContact CG2-CB 3.58Å
1019	S	49.2	Very low	47.9	Very low	45 Å²	45	56.2 Å²	56.2	32%	0.315	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	161.5	156.8	77.7	0	0	0	0	109.1	N1021 Y1022	S1019-N1021 PolarHBondContact O-N 3.08Å; S1019-Y1022 PolarHBondContact N-O 3.42Å; S1019-Y1022 PolarHBondContact O-N 2.55Å; S1019-Y1022 VanDerWaalsContact O-O 3.09Å
1020	N	52.1	Low	47.7	Very low	163 Å²	163	61.4 Å²	61.4	87%	0.872	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.9	-29	-169.4	-83.3	-5.1	0	0	0	116.3
1021	N	56.4	Low	47.7	Very low	69 Å²	69	69.1 Å²	69.1	37%	0.369	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-1.1	179.1	-68.5	-14.2	0	0	0	114.7	S1019 N1039 K1040 N1041	S1019-N1021 PolarHBondContact O-N 3.08Å; N1021-N1039 CarbonylContact O-C 3.49Å; N1021-N1039 WeakPolarHBondContact O-CA 3.13Å; N1021-N1039 PolarHBondContact O-OD1 3.49Å; N1021-K1040 PolarHBondContact O-N 2.85Å; N1021-N1041 PolarHBondContact ND2-ND2 2.79Å; N1021-N1041 PolarHBondContact OD1-ND2 2.78Å; N1021-N1041 VanDerWaalsContact OD1-ND2 3.09Å
1022	Y	53.7	Low	47.9	Very low	35 Å²	35	63.5 Å²	63.5	14%	0.137	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	135.5	-171.7	-62.7	-84.7	0	0	0	112.8	S1019 C1037 I1038 N1039	S1019-Y1022 PolarHBondContact N-O 3.42Å; S1019-Y1022 PolarHBondContact O-N 2.55Å; S1019-Y1022 VanDerWaalsContact O-O 3.09Å; Y1022-C1037 WeakPolarHBondContact CD1-SG 3.38Å; Y1022-I1038 CarbonylContact C-O 3.58Å; Y1022-I1038 VanDerWaalsContact CA-O 3.25Å; Y1022-I1038 WeakPolarHBondContact CA-O 3.48Å; Y1022-N1039 HydrophobicContact CD1-CB 3.96Å; Y1022-N1039 HydrophobicContact CE1-CB 3.66Å
1023	V	55.7	Low	48.3	Very low	7 Å²	7	65 Å²	65	4%	0.042	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.2	170.2	175.5	0	0	0	0	109	L1004 I1025 L1036 C1037 I1038 K1040	L1004-V1023 HydrophobicContact CD1-CB 4.38Å; L1004-V1023 HydrophobicContact CD1-CG1 3.28Å; L1004-V1023 HydrophobicContact CD1-CG2 4.25Å; L1004-V1023 HydrophobicContact CD2-CG1 3.97Å; L1004-V1023 HydrophobicContact CG-CG1 4.26Å; V1023-I1025 HydrophobicContact CG1-CG1 4.01Å; V1023-L1036 VanDerWaalsContact O-O 3.14Å; V1023-C1037 CarbonylContact O-C 3.35Å; V1023-C1037 WeakPolarHBondContact O-CA 3.26Å; V1023-I1038 HydrophobicContact CB-CB 4.29Å; V1023-I1038 PolarHBondContact N-O 3.34Å; V1023-I1038 PolarHBondContact O-N 2.83Å; V1023-K1040 HydrophobicContact CG2-CD 4.25Å; V1023-K1040 HydrophobicContact CG2-CG 4Å
1024	Y	54.2	Low	48.7	Very low	22 Å²	22	58.5 Å²	58.5	9%	0.086	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	114.2	174.6	-61.8	-88.3	0	0	0	110.1	I988 A991 I1017 H1035 L1036 C1037	I988-Y1024 HydrophobicContact CD1-CE1 4.24Å; A991-Y1024 HydrophobicContact CB-CD1 3.73Å; A991-Y1024 HydrophobicContact CB-CD2 4.21Å; A991-Y1024 HydrophobicContact CB-CE1 4.19Å; A991-Y1024 HydrophobicContact CB-CG 3.74Å; I1017-Y1024 HydrophobicContact CB-CD2 4.38Å; I1017-Y1024 HydrophobicContact CG2-CD2 3.99Å; I1017-Y1024 WeakPolarHBondContact O-CB 3.33Å; I1017-Y1024 WeakPolarHBondContact O-CD2 3.41Å; I1017-Y1024 PolarHBondContact O-N 3.25Å; Y1024-H1035 HydrophobicContact CD1-CB 4Å; Y1024-H1035 HydrophobicContact CG-CB 4.47Å; Y1024-L1036 CarbonylContact C-O 3.51Å; Y1024-L1036 WeakPolarHBondContact CA-O 3.37Å; Y1024-C1037 HydrophobicContact CD1-CB 3.94Å; Y1024-C1037 HydrophobicContact CE1-CB 3.91Å; Y1024-C1037 VanDerWaalsContact CE1-SG 3.57Å
1025	I	55.9	Low	49.4	Very low	1 Å²	1	56.7 Å²	56.7	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	115.9	177.2	-58.9	-178.2	0	0	0	109	L1004 T1008 I1010 F1012 M1016 V1023 V1027 H1035 L1036 I1038	L1004-I1025 HydrophobicContact CD2-CD1 4.16Å; T1008-I1025 HydrophobicContact CG2-CD1 3.95Å; I1010-I1025 HydrophobicContact CD1-CG2 4.29Å; F1012-I1025 HydrophobicContact CD1-CG2 4.02Å; F1012-I1025 HydrophobicContact CE1-CB 4.43Å; F1012-I1025 HydrophobicContact CE1-CG2 3.24Å; F1012-I1025 HydrophobicContact CZ-CD1 4.34Å; F1012-I1025 HydrophobicContact CZ-CG2 3.95Å; M1016-I1025 HydrophobicContact CE-CB 4.23Å; M1016-I1025 HydrophobicContact CE-CD1 4.35Å; M1016-I1025 HydrophobicContact CE-CG1 3.64Å; M1016-I1025 HydrophobicContact CE-CG2 4.32Å; V1023-I1025 HydrophobicContact CG1-CG1 4.01Å; I1025-V1027 PolarHBondContact O-N 2.86Å; I1025-H1035 CarbonylContact O-C 3.57Å; I1025-H1035 VanDerWaalsContact O-CA 3.23Å; I1025-H1035 WeakPolarHBondContact O-CA 3.5Å; I1025-L1036 HydrophobicContact CB-CB 4.1Å; I1025-L1036 HydrophobicContact CD1-CD2 4.16Å; I1025-L1036 PolarHBondContact N-O 2.82Å; I1025-L1036 PolarHBondContact O-N 3.07Å; I1025-I1038 HydrophobicContact CD1-CD1 3.81Å
1026	P	52.1	Low	50.1	Low	24 Å²	24	51.1 Å²	51.1	16%	0.156	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	132.6	175.3	25.3	-32	0	0	0	110.9	H1028	P1026-H1028 PolarHBondContact O-N 2.69Å
1027	V	51.5	Low	50.6	Low	13 Å²	13	50.8 Å²	50.8	8%	0.079	27%	0.265	C	S	.	.			trans	-83.6	103.1	174.4	-175.1	0	0	0	0	108.6	E948 L987 I1025 N1029 T1032 W1034 L1036	E948-V1027 HydrophobicContact CB-CG1 3.82Å; E948-V1027 HydrophobicContact CG-CG1 4.44Å; E948-V1027 WeakPolarHBondContact OE2-CG1 3.26Å; L987-V1027 HydrophobicContact CD1-CG2 3.75Å; I1025-V1027 PolarHBondContact O-N 2.86Å; V1027-N1029 PolarHBondContact O-N 2.94Å; V1027-T1032 PolarHBondContact O-OG1 2.73Å; V1027-W1034 PolarHBondContact N-O 2.66Å; V1027-L1036 HydrophobicContact CG2-CB 4.47Å
1028	H	44.4	Very low	51	Low	96 Å²	96	50.8 Å²	50.8	44%	0.444	26%	0.264	S	S	.	.	S	Bend	trans	-12.4	84.6	180	-156.2	-64.5	0	0	0	118	P1026	P1026-H1028 PolarHBondContact O-N 2.69Å
1029	N	44.9	Very low	51.6	Low	95 Å²	95	50.4 Å²	50.4	51%	0.508	26%	0.26	S	S	.	.	S	Bend	trans	177.3	143.7	144.6	-92.4	-26.1	0	0	0	109.4	V1027 Q1031 T1032	V1027-N1029 PolarHBondContact O-N 2.94Å; N1029-Q1031 PolarHBondContact O-N 3.34Å; N1029-T1032 HydrophobicContact CB-CG2 3.8Å; N1029-T1032 PolarHBondContact O-N 2.9Å; N1029-T1032 PolarHBondContact O-OG1 2.92Å
1030	D	41.7	Very low	51.8	Low	142 Å²	142	51.7 Å²	51.7	76%	0.759	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-5.2	-177.5	-58.4	-29	0	0	0	114.2
1031	Q	44.4	Very low	51.9	Low	180 Å²	180	49.4 Å²	49.4	84%	0.841	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.5	1.7	178	-65.6	-172.2	-14.2	0	0	113.9	N1029	N1029-Q1031 PolarHBondContact O-N 3.34Å
1032	T	46.3	Very low	51.5	Low	17 Å²	17	49.8 Å²	49.8	10%	0.104	25%	0.247	C	C	.	.			trans	-104.5	121.7	-176.1	87.5	0	0	0	0	111.2	V1027 N1029 W1034	V1027-T1032 PolarHBondContact O-OG1 2.73Å; N1029-T1032 HydrophobicContact CB-CG2 3.8Å; N1029-T1032 PolarHBondContact O-N 2.9Å; N1029-T1032 PolarHBondContact O-OG1 2.92Å; T1032-W1034 PolarHBondContact O-N 3.18Å
1033	D	52.9	Low	51.4	Low	58 Å²	58	50.6 Å²	50.6	31%	0.31	25%	0.251	S	S	.	.			trans	-73.9	5.5	168.7	-65.3	-23.4	0	0	0	111.9	R989 N990 H1035	R989-D1033 CarbonylContact C-O 3.58Å; R989-D1033 WeakPolarHBondContact CA-O 3.5Å; R989-D1033 HydrophobicContact CG-CB 3.44Å; R989-D1033 VanDerWaalsContact CG-CB 3.44Å; R989-D1033 IonicContact CZ-OD2 3.76Å; R989-D1033 IonicContact NE-OD2 3.76Å; R989-D1033 PolarHBondContact NE-OD2 2.86Å; R989-D1033 IonicContact NH2-OD2 2.65Å; R989-D1033 PolarHBondContact NH2-OD2 2.95Å; N990-D1033 PolarHBondContact N-O 2.88Å; D1033-H1035 PolarHBondContact O-ND1 3.38Å; D1033-H1035 VanDerWaalsContact O-ND1 3.08Å
1034	W	50.8	Low	51.3	Low	23 Å²	23	54.5 Å²	54.5	9%	0.087	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.6	-165.2	-69.5	91	0	0	0	111.9	I937 I945 L987 I988 R989 V1027 T1032	I937-W1034 HydrophobicContact CD1-CH2 4.18Å; I937-W1034 HydrophobicContact CD1-CZ2 3.54Å; I945-W1034 HydrophobicContact CD1-CZ2 4.19Å; L987-W1034 HydrophobicContact CB-CE3 4.44Å; L987-W1034 HydrophobicContact CD2-CD2 3.95Å; L987-W1034 HydrophobicContact CD2-CE3 3.37Å; L987-W1034 HydrophobicContact CD2-CZ3 3.76Å; L987-W1034 HydrophobicContact CG-CD2 4.44Å; L987-W1034 HydrophobicContact CG-CE3 3.63Å; L987-W1034 HydrophobicContact CG-CZ3 4.2Å; I988-W1034 CarbonylContact O-C 3.58Å; I988-W1034 WeakPolarHBondContact O-CA 3.41Å; R989-W1034 HydrophobicContact CB-CD2 4.46Å; R989-W1034 HydrophobicContact CB-CE3 4.34Å; R989-W1034 HydrophobicContact CB-CZ3 4.42Å; V1027-W1034 PolarHBondContact N-O 2.66Å; T1032-W1034 PolarHBondContact O-N 3.18Å
1035	H	55.6	Low	51.4	Low	25 Å²	25	57.7 Å²	57.7	12%	0.116	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.6	179.3	-62.3	75.9	0	0	0	109.7	L987 I988 Y1024 I1025 D1033 C1037	L987-H1035 CarbonylContact C-O 3.56Å; L987-H1035 WeakPolarHBondContact CA-O 3.35Å; I988-H1035 PolarHBondContact N-O 2.91Å; I988-H1035 PolarHBondContact O-N 3.28Å; Y1024-H1035 HydrophobicContact CD1-CB 4Å; Y1024-H1035 HydrophobicContact CG-CB 4.47Å; I1025-H1035 CarbonylContact O-C 3.57Å; I1025-H1035 VanDerWaalsContact O-CA 3.23Å; I1025-H1035 WeakPolarHBondContact O-CA 3.5Å; D1033-H1035 PolarHBondContact O-ND1 3.38Å; D1033-H1035 VanDerWaalsContact O-ND1 3.08Å; H1035-C1037 PolarHBondContact O-N 2.85Å
1036	L	55.9	Low	51.5	Low	14 Å²	14	62.8 Å²	62.8	7%	0.073	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	111.4	162.3	-173.7	88.2	0	0	0	108	I985 Y986 V1023 Y1024 I1025 V1027 I1038	I985-L1036 HydrophobicContact CG2-CD1 3.44Å; I985-L1036 VanDerWaalsContact CG2-CD1 3.44Å; I985-L1036 HydrophobicContact CG2-CD2 3.93Å; I985-L1036 HydrophobicContact CG2-CG 3.56Å; Y986-L1036 CarbonylContact O-C 3.57Å; Y986-L1036 VanDerWaalsContact O-CA 3.25Å; Y986-L1036 WeakPolarHBondContact O-CA 3.31Å; V1023-L1036 VanDerWaalsContact O-O 3.14Å; Y1024-L1036 CarbonylContact C-O 3.51Å; Y1024-L1036 WeakPolarHBondContact CA-O 3.37Å; I1025-L1036 HydrophobicContact CB-CB 4.1Å; I1025-L1036 HydrophobicContact CD1-CD2 4.16Å; I1025-L1036 PolarHBondContact N-O 2.82Å; I1025-L1036 PolarHBondContact O-N 3.07Å; V1027-L1036 HydrophobicContact CG2-CB 4.47Å; L1036-I1038 HydrophobicContact CD2-CD1 4.3Å; L1036-I1038 HydrophobicContact CD2-CG1 4.28Å
1037	C	53.3	Low	52	Low	1 Å²	1	66.6 Å²	66.6	1%	0.007	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	115.4	-179.7	-178.4	0	0	0	0	109.9	I985 Y986 I988 Y1022 V1023 Y1024 H1035	I985-C1037 CarbonylContact C-O 3.44Å; I985-C1037 VanDerWaalsContact CA-O 3.27Å; I985-C1037 WeakPolarHBondContact CA-O 3.31Å; Y986-C1037 PolarHBondContact N-O 3.33Å; Y986-C1037 PolarHBondContact O-N 2.82Å; I988-C1037 HydrophobicContact CD1-CB 3.72Å; I988-C1037 HydrophobicContact CG1-CB 4.19Å; Y1022-C1037 WeakPolarHBondContact CD1-SG 3.38Å; V1023-C1037 CarbonylContact O-C 3.35Å; V1023-C1037 WeakPolarHBondContact O-CA 3.26Å; Y1024-C1037 HydrophobicContact CD1-CB 3.94Å; Y1024-C1037 HydrophobicContact CE1-CB 3.91Å; Y1024-C1037 VanDerWaalsContact CE1-SG 3.57Å; H1035-C1037 PolarHBondContact O-N 2.85Å
1038	I	56.6	Low	52.3	Low	18 Å²	18	66.2 Å²	66.2	9%	0.092	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124	177.9	-55	-179.9	0	0	0	109	I985 L1004 Y1022 V1023 I1025 L1036 K1040 Y1043	I985-I1038 HydrophobicContact CD1-CD1 4.11Å; I985-I1038 HydrophobicContact CD1-CG1 3.94Å; I985-I1038 HydrophobicContact CD1-CG2 4.18Å; I985-I1038 HydrophobicContact CG1-CB 4.29Å; I985-I1038 HydrophobicContact CG1-CG1 3.94Å; I985-I1038 HydrophobicContact CG1-CG2 4.04Å; I985-I1038 HydrophobicContact CG2-CG1 4.19Å; L1004-I1038 HydrophobicContact CD2-CD1 4.11Å; Y1022-I1038 CarbonylContact C-O 3.58Å; Y1022-I1038 VanDerWaalsContact CA-O 3.25Å; Y1022-I1038 WeakPolarHBondContact CA-O 3.48Å; V1023-I1038 HydrophobicContact CB-CB 4.29Å; V1023-I1038 PolarHBondContact N-O 3.34Å; V1023-I1038 PolarHBondContact O-N 2.83Å; I1025-I1038 HydrophobicContact CD1-CD1 3.81Å; L1036-I1038 HydrophobicContact CD2-CD1 4.3Å; L1036-I1038 HydrophobicContact CD2-CG1 4.28Å; I1038-K1040 PolarHBondContact O-N 3.23Å; I1038-Y1043 HydrophobicContact CG2-CD2 4.13Å; I1038-Y1043 HydrophobicContact CG2-CG 4.24Å
1039	N	55.7	Low	53.1	Low	10 Å²	10	66.8 Å²	66.8	5%	0.053	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	112.5	172.3	-174.5	-13.8	0	0	0	109.9	S984 N1021 Y1022 N1041 E1042 Y1043	S984-N1039 PolarHBondContact O-N 3.12Å; N1021-N1039 CarbonylContact O-C 3.49Å; N1021-N1039 WeakPolarHBondContact O-CA 3.13Å; N1021-N1039 PolarHBondContact O-OD1 3.49Å; Y1022-N1039 HydrophobicContact CD1-CB 3.96Å; Y1022-N1039 HydrophobicContact CE1-CB 3.66Å; N1039-N1041 PolarHBondContact O-N 2.96Å; N1039-N1041 PolarHBondContact OD1-N 2.94Å; N1039-E1042 HydrophobicContact CB-CB 4.39Å; N1039-Y1043 WeakPolarHBondContact O-CB 3.31Å; N1039-Y1043 PolarHBondContact O-N 2.82Å; N1039-Y1043 VanDerWaalsContact O-N 3.11Å
1040	K	53.9	Low	54.1	Low	72 Å²	72	67.1 Å²	67.1	31%	0.313	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.7	179.7	-68.2	-174.3	178.4	-179.3	0	112.7	E1000 N1021 V1023 I1038	E1000-K1040 IonicContact OE1-NZ 3.32Å; E1000-K1040 PolarHBondContact OE1-NZ 3.35Å; E1000-K1040 IonicContact OE2-NZ 3.29Å; E1000-K1040 PolarHBondContact OE2-NZ 2.95Å; N1021-K1040 PolarHBondContact O-N 2.85Å; V1023-K1040 HydrophobicContact CG2-CD 4.25Å; V1023-K1040 HydrophobicContact CG2-CG 4Å; I1038-K1040 PolarHBondContact O-N 3.23Å
1041	N	53.3	Low	55.3	Low	116 Å²	116	63 Å²	63	62%	0.62	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-23.2	-172.8	-64.5	-22.4	0	0	0	113.8	N1021 N1039	N1021-N1041 PolarHBondContact ND2-ND2 2.79Å; N1021-N1041 PolarHBondContact OD1-ND2 2.78Å; N1021-N1041 VanDerWaalsContact OD1-ND2 3.09Å; N1039-N1041 PolarHBondContact O-N 2.96Å; N1039-N1041 PolarHBondContact OD1-N 2.94Å
1042	E	48.5	Very low	56.5	Low	76 Å²	76	55.1 Å²	55.1	36%	0.355	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-13.5	-179.9	-73.3	-176.1	-174.9	0	0	113.3	N1039 D1044	N1039-E1042 HydrophobicContact CB-CB 4.39Å; E1042-D1044 PolarHBondContact O-N 2.66Å
1043	Y	51.1	Low	57.9	Low	53 Å²	53	57.9 Å²	57.9	21%	0.208	28%	0.277	C	S	.	.	S	Bend	trans	-69.5	104.6	175	-166.5	-97.2	0	0	0	109.5	I985 I1038 N1039 L1045 A1048	I985-Y1043 HydrophobicContact CD1-CD2 3.78Å; I985-Y1043 HydrophobicContact CD1-CE2 3.53Å; I985-Y1043 HydrophobicContact CG1-CD2 4.23Å; I985-Y1043 HydrophobicContact CG1-CE2 4.43Å; I1038-Y1043 HydrophobicContact CG2-CD2 4.13Å; I1038-Y1043 HydrophobicContact CG2-CG 4.24Å; N1039-Y1043 WeakPolarHBondContact O-CB 3.31Å; N1039-Y1043 PolarHBondContact O-N 2.82Å; N1039-Y1043 VanDerWaalsContact O-N 3.11Å; Y1043-L1045 VanDerWaalsContact C-N 3.32Å; Y1043-L1045 HydrophobicContact CD1-CD2 3.8Å; Y1043-L1045 HydrophobicContact CD1-CG 4.28Å; Y1043-L1045 HydrophobicContact CE1-CD2 4.1Å; Y1043-L1045 PolarHBondContact O-N 3.41Å; Y1043-A1048 HydrophobicContact CE1-CB 3.92Å
1044	D	54.8	Low	59	Low	88 Å²	88	59.6 Å²	59.6	47%	0.471	29%	0.286	S	S	.	.			trans	-68.5	90.1	178.7	-173.4	-6.6	0	0	0	110.3	E1042 N1046 W1047 A1048	E1042-D1044 PolarHBondContact O-N 2.66Å; D1044-N1046 PolarHBondContact O-N 3.17Å; D1044-N1046 WeakPolarHBondContact OD1-CA 3.5Å; D1044-N1046 VanDerWaalsContact OD1-CB 3.29Å; D1044-N1046 WeakPolarHBondContact OD1-CB 3.33Å; D1044-N1046 PolarHBondContact OD1-N 2.92Å; D1044-W1047 HydrophobicContact CB-CB 3.77Å; D1044-W1047 VanDerWaalsContact CG-N 3.32Å; D1044-W1047 PolarHBondContact O-N 2.89Å; D1044-W1047 PolarHBondContact OD1-N 3.26Å; D1044-W1047 VanDerWaalsContact OD2-CB 3.27Å; D1044-W1047 WeakPolarHBondContact OD2-CB 3.5Å; D1044-A1048 PolarHBondContact O-N 3.16Å
1045	L	55.5	Low	60	Low	90 Å²	90	60.5 Å²	60.5	47%	0.471	29%	0.29	S	S	.	.	H	α-helix	trans	-59.5	-31.6	174.5	-68.4	170	0	0	0	111.5	Y1043 A1048 R1049 L1104	Y1043-L1045 VanDerWaalsContact C-N 3.32Å; Y1043-L1045 HydrophobicContact CD1-CD2 3.8Å; Y1043-L1045 HydrophobicContact CD1-CG 4.28Å; Y1043-L1045 HydrophobicContact CE1-CD2 4.1Å; Y1043-L1045 PolarHBondContact O-N 3.41Å; L1045-A1048 PolarHBondContact O-N 3.13Å; L1045-R1049 VanDerWaalsContact O-CB 3.23Å; L1045-R1049 WeakPolarHBondContact O-CB 3.47Å; L1045-R1049 PolarHBondContact O-N 3.13Å; L1045-L1104 HydrophobicContact CD2-CD2 3.62Å
1046	N	57.9	Low	61.2	Low	108 Å²	108	59.7 Å²	59.7	58%	0.578	29%	0.286	S	S	*	.	H	α-helix	trans	-70.7	-41.6	177.3	-68.3	-40.3	0	0	0	110.9	D1044 R1049 N1050	D1044-N1046 PolarHBondContact O-N 3.17Å; D1044-N1046 WeakPolarHBondContact OD1-CA 3.5Å; D1044-N1046 VanDerWaalsContact OD1-CB 3.29Å; D1044-N1046 WeakPolarHBondContact OD1-CB 3.33Å; D1044-N1046 PolarHBondContact OD1-N 2.92Å; N1046-R1049 PolarHBondContact O-N 2.93Å; N1046-N1050 VanDerWaalsContact O-CB 3.31Å; N1046-N1050 WeakPolarHBondContact O-CB 3.48Å; N1046-N1050 PolarHBondContact O-N 3.33Å; N1046-N1050 PolarHBondContact O-ND2 3.27Å; N1046-N1050 VanDerWaalsContact O-ND2 3.15Å
1047	W	63	Low	62.6	Low	104 Å²	104	63 Å²	63	39%	0.394	30%	0.304	S	S	.	.	H	α-helix	trans	-60.5	-47.3	171.1	174.4	87.5	0	0	0	111.4	P961 D1044 R1049 N1050 E1051	P961-W1047 HydrophobicContact CG-CH2 4.47Å; D1044-W1047 HydrophobicContact CB-CB 3.77Å; D1044-W1047 VanDerWaalsContact CG-N 3.32Å; D1044-W1047 PolarHBondContact O-N 2.89Å; D1044-W1047 PolarHBondContact OD1-N 3.26Å; D1044-W1047 VanDerWaalsContact OD2-CB 3.27Å; D1044-W1047 WeakPolarHBondContact OD2-CB 3.5Å; W1047-R1049 VanDerWaalsContact C-N 3.31Å; W1047-R1049 PolarHBondContact O-N 3.06Å; W1047-N1050 PolarHBondContact O-N 3.01Å; W1047-E1051 HydrophobicContact CH2-CG 4.43Å; W1047-E1051 HydrophobicContact CZ2-CB 4.41Å; W1047-E1051 HydrophobicContact CZ2-CG 4.23Å; W1047-E1051 VanDerWaalsContact O-CB 3.3Å; W1047-E1051 WeakPolarHBondContact O-CB 3.49Å; W1047-E1051 PolarHBondContact O-N 3.49Å
1048	A	57.3	Low	64.1	Low	5 Å²	5	67.4 Å²	67.4	4%	0.041	33%	0.327	C	S	.	.	H	α-helix	trans	-60	-42.6	179	0	0	0	0	0	111.6	Y1043 D1044 L1045 L1052	Y1043-A1048 HydrophobicContact CE1-CB 3.92Å; D1044-A1048 PolarHBondContact O-N 3.16Å; L1045-A1048 PolarHBondContact O-N 3.13Å; A1048-L1052 WeakPolarHBondContact O-CB 3.45Å; A1048-L1052 WeakPolarHBondContact O-CG 3.49Å; A1048-L1052 PolarHBondContact O-N 2.93Å
1049	R	62.3	Low	65.5	Low	107 Å²	107	68.5 Å²	68.5	40%	0.404	33%	0.333	S	S	.	.	H	α-helix	trans	-60.5	-50.1	173.6	-174.7	-173.3	176.9	167	0.7	111.7	L1045 N1046 W1047 E1051 L1052 Q1053 L1101 M1105	L1045-R1049 VanDerWaalsContact O-CB 3.23Å; L1045-R1049 WeakPolarHBondContact O-CB 3.47Å; L1045-R1049 PolarHBondContact O-N 3.13Å; N1046-R1049 PolarHBondContact O-N 2.93Å; W1047-R1049 VanDerWaalsContact C-N 3.31Å; W1047-R1049 PolarHBondContact O-N 3.06Å; R1049-E1051 PolarHBondContact O-N 2.68Å; R1049-L1052 PolarHBondContact O-N 3.21Å; R1049-Q1053 WeakPolarHBondContact O-CB 3.29Å; R1049-Q1053 PolarHBondContact O-N 2.8Å; R1049-L1101 HydrophobicContact CB-CD1 4.35Å; R1049-L1101 HydrophobicContact CG-CD1 3.63Å; R1049-M1105 PolarHBondContact NH2-SD 2.84Å
1050	N	66.1	Low	67	Low	103 Å²	103	70.2 Å²	70.2	55%	0.551	35%	0.345	S	S	*	.	H	α-helix	trans	-63.2	-42.6	-179.2	-72.2	-24.9	0	0	0	111.5	N1046 W1047 Q1053 L1054	N1046-N1050 VanDerWaalsContact O-CB 3.31Å; N1046-N1050 WeakPolarHBondContact O-CB 3.48Å; N1046-N1050 PolarHBondContact O-N 3.33Å; N1046-N1050 PolarHBondContact O-ND2 3.27Å; N1046-N1050 VanDerWaalsContact O-ND2 3.15Å; W1047-N1050 PolarHBondContact O-N 3.01Å; N1050-Q1053 PolarHBondContact O-N 3.16Å; N1050-L1054 VanDerWaalsContact O-CB 3.25Å; N1050-L1054 WeakPolarHBondContact O-CB 3.36Å; N1050-L1054 PolarHBondContact O-N 3.01Å
1051	E	67.3	Low	68.7	Low	55 Å²	55	72.7 Å²	72.7	26%	0.257	36%	0.356	S	S	.	.	H	α-helix	trans	-66.4	-39.4	178.2	-179.2	62.4	-160.5	0	0	111.9	W1047 R1049 R1055	W1047-E1051 HydrophobicContact CH2-CG 4.43Å; W1047-E1051 HydrophobicContact CZ2-CB 4.41Å; W1047-E1051 HydrophobicContact CZ2-CG 4.23Å; W1047-E1051 VanDerWaalsContact O-CB 3.3Å; W1047-E1051 WeakPolarHBondContact O-CB 3.49Å; W1047-E1051 PolarHBondContact O-N 3.49Å; R1049-E1051 PolarHBondContact O-N 2.68Å; E1051-R1055 WeakPolarHBondContact O-CD 3.29Å; E1051-R1055 VanDerWaalsContact O-CG 3.24Å; E1051-R1055 WeakPolarHBondContact O-CG 3.4Å; E1051-R1055 PolarHBondContact O-N 3.49Å; E1051-R1055 VanDerWaalsContact O-N 3.16Å; E1051-R1055 IonicContact OE1-CZ 2.65Å; E1051-R1055 VanDerWaalsContact OE1-CZ 3.27Å; E1051-R1055 IonicContact OE1-NE 3.36Å; E1051-R1055 PolarHBondContact OE1-NE 3.28Å; E1051-R1055 IonicContact OE1-NH2 2.86Å; E1051-R1055 PolarHBondContact OE1-NH2 3.43Å
1052	L	67.6	Low	70.3	Confident	14 Å²	14	72.8 Å²	72.8	7%	0.073	35%	0.348	C	S	.	.	H	α-helix	trans	-66.2	-44.1	173.1	-78	172	0	0	0	112	A1048 R1049 R1055 I1056 L1097 Q1100 L1101 L1104	A1048-L1052 WeakPolarHBondContact O-CB 3.45Å; A1048-L1052 WeakPolarHBondContact O-CG 3.49Å; A1048-L1052 PolarHBondContact O-N 2.93Å; R1049-L1052 PolarHBondContact O-N 3.21Å; L1052-R1055 WeakPolarHBondContact O-CB 3.45Å; L1052-R1055 PolarHBondContact O-N 3.28Å; L1052-I1056 WeakPolarHBondContact O-CG1 3.39Å; L1052-I1056 PolarHBondContact O-N 3.39Å; L1052-L1097 HydrophobicContact CD2-CD2 3.58Å; L1052-Q1100 HydrophobicContact CD1-CB 4.45Å; L1052-L1101 HydrophobicContact CB-CD1 4.09Å; L1052-L1104 HydrophobicContact CD1-CD1 3.18Å
1053	Q	77.5	Confident	72.1	Confident	75 Å²	75	71.8 Å²	71.8	35%	0.35	34%	0.342	S	S	.	.	H	α-helix	trans	-60.3	-48.4	176.5	-174.6	62.7	60.2	0	0	111.2	R1049 N1050 R1055 I1056 D1057 L1101	R1049-Q1053 WeakPolarHBondContact O-CB 3.29Å; R1049-Q1053 PolarHBondContact O-N 2.8Å; N1050-Q1053 PolarHBondContact O-N 3.16Å; Q1053-R1055 PolarHBondContact O-N 2.95Å; Q1053-R1055 VanDerWaalsContact O-N 3.17Å; Q1053-I1056 WeakPolarHBondContact O-CB 3.03Å; Q1053-I1056 PolarHBondContact O-N 3.09Å; Q1053-I1056 VanDerWaalsContact O-N 3.08Å; Q1053-D1057 PolarHBondContact NE2-OD1 3.08Å; Q1053-D1057 PolarHBondContact O-N 2.87Å; Q1053-L1101 VanDerWaalsContact OE1-CD2 3.27Å
1054	L	75.3	Confident	73.8	Confident	95 Å²	95	75 Å²	75	50%	0.497	36%	0.359	S	S	.	.	H	α-helix	trans	-60.5	-30.4	179.8	-154.1	153.5	0	0	0	111.5	N1050 N1058	N1050-L1054 VanDerWaalsContact O-CB 3.25Å; N1050-L1054 WeakPolarHBondContact O-CB 3.36Å; N1050-L1054 PolarHBondContact O-N 3.01Å; L1054-N1058 WeakPolarHBondContact CD2-ND2 3.14Å; L1054-N1058 WeakPolarHBondContact O-CB 3.31Å; L1054-N1058 VanDerWaalsContact O-CG 3.28Å; L1054-N1058 PolarHBondContact O-N 3.01Å; L1054-N1058 PolarHBondContact O-ND2 2.89Å
1055	R	72.1	Confident	75.3	Confident	42 Å²	42	74.6 Å²	74.6	16%	0.158	35%	0.354	C	S	.	.	H	α-helix	trans	-75.2	-43	173.1	-75	171	-175	175.4	4.3	113.8	N957 S958 E1051 L1052 Q1053 D1057 N1058 L1059	N957-R1055 PolarHBondContact O-NH2 3.44Å; S958-R1055 PolarHBondContact OG-NH1 3.06Å; S958-R1055 PolarHBondContact OG-NH2 2.99Å; E1051-R1055 WeakPolarHBondContact O-CD 3.29Å; E1051-R1055 VanDerWaalsContact O-CG 3.24Å; E1051-R1055 WeakPolarHBondContact O-CG 3.4Å; E1051-R1055 PolarHBondContact O-N 3.49Å; E1051-R1055 VanDerWaalsContact O-N 3.16Å; E1051-R1055 IonicContact OE1-CZ 2.65Å; E1051-R1055 VanDerWaalsContact OE1-CZ 3.27Å; E1051-R1055 IonicContact OE1-NE 3.36Å; E1051-R1055 PolarHBondContact OE1-NE 3.28Å; E1051-R1055 IonicContact OE1-NH2 2.86Å; E1051-R1055 PolarHBondContact OE1-NH2 3.43Å; L1052-R1055 WeakPolarHBondContact O-CB 3.45Å; L1052-R1055 PolarHBondContact O-N 3.28Å; Q1053-R1055 PolarHBondContact O-N 2.95Å; Q1053-R1055 VanDerWaalsContact O-N 3.17Å; R1055-D1057 PolarHBondContact O-N 2.91Å; R1055-N1058 PolarHBondContact O-N 2.72Å; R1055-L1059 WeakPolarHBondContact O-CB 3.42Å; R1055-L1059 WeakPolarHBondContact O-CG 3.32Å; R1055-L1059 PolarHBondContact O-N 3.28Å
1056	I	80.6	Confident	76.7	Confident	8 Å²	8	70.7 Å²	70.7	4%	0.041	33%	0.334	C	S	.	.	H	α-helix	trans	-55.7	-47.3	172.7	-70.2	162.7	0	0	0	108.2	L1052 Q1053 N1058 L1059 C1060 V1094 L1097 E1098 L1101	L1052-I1056 WeakPolarHBondContact O-CG1 3.39Å; L1052-I1056 PolarHBondContact O-N 3.39Å; Q1053-I1056 WeakPolarHBondContact O-CB 3.03Å; Q1053-I1056 PolarHBondContact O-N 3.09Å; Q1053-I1056 VanDerWaalsContact O-N 3.08Å; I1056-N1058 PolarHBondContact O-N 3.4Å; I1056-L1059 PolarHBondContact O-N 2.77Å; I1056-C1060 VanDerWaalsContact O-CB 3.3Å; I1056-C1060 WeakPolarHBondContact O-CB 3.28Å; I1056-C1060 PolarHBondContact O-N 3.44Å; I1056-C1060 PolarHBondContact O-SG 2.72Å; I1056-V1094 HydrophobicContact CG2-CG1 4.28Å; I1056-L1097 HydrophobicContact CD1-CB 4.15Å; I1056-L1097 HydrophobicContact CG1-CB 3.74Å; I1056-E1098 HydrophobicContact CD1-CG 3.9Å; I1056-E1098 HydrophobicContact CG1-CG 4.37Å; I1056-E1098 HydrophobicContact CG2-CG 4.32Å; I1056-L1101 HydrophobicContact CD1-CB 4.26Å; I1056-L1101 HydrophobicContact CD1-CD2 3.83Å
1057	D	84.5	Confident	77.9	Confident	83 Å²	83	68.5 Å²	68.5	44%	0.444	32%	0.322	S	S	.	.	H	α-helix	trans	-59.7	-45.7	177.9	-60.9	-13.5	0	0	0	112	Q1053 R1055 C1060 K1061	Q1053-D1057 PolarHBondContact NE2-OD1 3.08Å; Q1053-D1057 PolarHBondContact O-N 2.87Å; R1055-D1057 PolarHBondContact O-N 2.91Å; D1057-C1060 PolarHBondContact O-N 2.87Å; D1057-K1061 WeakPolarHBondContact O-CB 3.47Å; D1057-K1061 PolarHBondContact O-N 2.88Å
1058	N	84.5	Confident	78.7	Confident	93 Å²	93	67.6 Å²	67.6	50%	0.497	32%	0.324	S	S	.	.	H	α-helix	trans	-64.6	-40.8	177.4	-81.2	-32.3	0	0	0	113.2	L1054 R1055 I1056 K1061 R1062	L1054-N1058 WeakPolarHBondContact CD2-ND2 3.14Å; L1054-N1058 WeakPolarHBondContact O-CB 3.31Å; L1054-N1058 VanDerWaalsContact O-CG 3.28Å; L1054-N1058 PolarHBondContact O-N 3.01Å; L1054-N1058 PolarHBondContact O-ND2 2.89Å; R1055-N1058 PolarHBondContact O-N 2.72Å; I1056-N1058 PolarHBondContact O-N 3.4Å; N1058-K1061 PolarHBondContact O-N 2.98Å; N1058-R1062 WeakPolarHBondContact O-CB 3.3Å; N1058-R1062 PolarHBondContact O-N 3.41Å
1059	L	86.1	Confident	79.6	Confident	42 Å²	42	70.3 Å²	70.3	22%	0.22	34%	0.338	C	S	.	.	H	α-helix	trans	-69.6	-40.1	176.9	-76.1	174.1	0	0	0	111.4	R1055 I1056 R1062 K1063 I1090 K1093 V1094 L1097	R1055-L1059 WeakPolarHBondContact O-CB 3.42Å; R1055-L1059 WeakPolarHBondContact O-CG 3.32Å; R1055-L1059 PolarHBondContact O-N 3.28Å; I1056-L1059 PolarHBondContact O-N 2.77Å; L1059-R1062 PolarHBondContact O-N 3.36Å; L1059-K1063 WeakPolarHBondContact O-CB 3.43Å; L1059-K1063 PolarHBondContact O-N 2.73Å; L1059-I1090 HydrophobicContact CB-CG2 4.12Å; L1059-I1090 HydrophobicContact CD2-CG2 4.32Å; L1059-K1093 HydrophobicContact CD1-CB 4.32Å; L1059-V1094 HydrophobicContact CB-CG2 3.63Å; L1059-V1094 HydrophobicContact CD1-CG2 4.15Å; L1059-L1097 HydrophobicContact CD1-CD1 3.35Å
1060	C	87.8	Confident	80.1	Confident	46 Å²	46	66.4 Å²	66.4	31%	0.311	33%	0.331	S	S	.	.	H	α-helix	trans	-60	-46.7	172.4	-75.3	0	0	0	0	110.9	I1056 D1057 R1062 K1063 E1064	I1056-C1060 VanDerWaalsContact O-CB 3.3Å; I1056-C1060 WeakPolarHBondContact O-CB 3.28Å; I1056-C1060 PolarHBondContact O-N 3.44Å; I1056-C1060 PolarHBondContact O-SG 2.72Å; D1057-C1060 PolarHBondContact O-N 2.87Å; C1060-R1062 VanDerWaalsContact C-N 3.34Å; C1060-R1062 PolarHBondContact O-N 3.31Å; C1060-K1063 WeakPolarHBondContact O-CB 3.48Å; C1060-K1063 PolarHBondContact O-N 2.79Å; C1060-E1064 WeakPolarHBondContact O-CG 3.14Å; C1060-E1064 PolarHBondContact O-N 3.34Å
1061	K	88.7	Confident	80.4	Confident	124 Å²	124	69 Å²	69	54%	0.539	34%	0.337	S	S	.	.	H	α-helix	trans	-59.2	-43.5	173.4	-174.9	176.6	179.6	178.8	0	112.1	D1057 N1058 K1063 E1064 E1065	D1057-K1061 WeakPolarHBondContact O-CB 3.47Å; D1057-K1061 PolarHBondContact O-N 2.88Å; N1058-K1061 PolarHBondContact O-N 2.98Å; K1061-K1063 VanDerWaalsContact C-N 3.35Å; K1061-K1063 PolarHBondContact O-N 3.01Å; K1061-E1064 WeakPolarHBondContact O-CB 3.22Å; K1061-E1064 PolarHBondContact O-N 2.92Å; K1061-E1065 WeakPolarHBondContact O-CG 3.28Å; K1061-E1065 PolarHBondContact O-N 3.48Å
1062	R	86.8	Confident	80.5	Confident	118 Å²	118	74.7 Å²	74.7	45%	0.445	37%	0.366	S	S	.	.	H	α-helix	trans	-65.5	-37.7	177.3	-175.8	55.2	175.6	169.2	-0.1	112.5	N1058 L1059 C1060 E1065 L1066 I1090	N1058-R1062 WeakPolarHBondContact O-CB 3.3Å; N1058-R1062 PolarHBondContact O-N 3.41Å; L1059-R1062 PolarHBondContact O-N 3.36Å; C1060-R1062 VanDerWaalsContact C-N 3.34Å; C1060-R1062 PolarHBondContact O-N 3.31Å; R1062-E1065 WeakPolarHBondContact CD-OE2 3.47Å; R1062-E1065 IonicContact CZ-OE2 2.89Å; R1062-E1065 IonicContact NH1-OE2 3.59Å; R1062-E1065 PolarHBondContact NH1-OE2 2.97Å; R1062-E1065 PolarHBondContact O-N 3.43Å; R1062-L1066 WeakPolarHBondContact O-CG 3.37Å; R1062-L1066 PolarHBondContact O-N 3.37Å; R1062-I1090 HydrophobicContact CG-CD1 4.12Å
1063	K	88	Confident	80	Confident	54 Å²	54	79.8 Å²	79.8	24%	0.235	39%	0.387	C	S	.	.	H	α-helix	trans	-61.8	-46	173.3	-178	-173.5	164.4	-164.4	0	110.4	L1059 C1060 K1061 E1065 L1066 I1067 I1087 I1090 Q1091	L1059-K1063 WeakPolarHBondContact O-CB 3.43Å; L1059-K1063 PolarHBondContact O-N 2.73Å; C1060-K1063 WeakPolarHBondContact O-CB 3.48Å; C1060-K1063 PolarHBondContact O-N 2.79Å; K1061-K1063 VanDerWaalsContact C-N 3.35Å; K1061-K1063 PolarHBondContact O-N 3.01Å; K1063-E1065 PolarHBondContact O-N 2.78Å; K1063-L1066 PolarHBondContact O-N 2.96Å; K1063-I1067 HydrophobicContact CG-CD1 3.97Å; K1063-I1067 VanDerWaalsContact O-CG1 3.28Å; K1063-I1067 WeakPolarHBondContact O-CG1 3.29Å; K1063-I1067 PolarHBondContact O-N 3.18Å; K1063-I1087 HydrophobicContact CG-CG2 4.23Å; K1063-I1090 HydrophobicContact CB-CG2 3.95Å; K1063-Q1091 VanDerWaalsContact CE-OE1 3.25Å
1064	E	86.3	Confident	78.9	Confident	122 Å²	122	85.9 Å²	85.9	57%	0.57	41%	0.413	S	S	*	.	H	α-helix	trans	-60.1	-43.1	175.2	-72.8	-178.6	167.5	0	0	112.4	C1060 K1061 L1066 I1067 N1068	C1060-E1064 WeakPolarHBondContact O-CG 3.14Å; C1060-E1064 PolarHBondContact O-N 3.34Å; K1061-E1064 WeakPolarHBondContact O-CB 3.22Å; K1061-E1064 PolarHBondContact O-N 2.92Å; E1064-L1066 PolarHBondContact O-N 2.96Å; E1064-I1067 PolarHBondContact O-N 2.66Å; E1064-N1068 WeakPolarHBondContact O-CB 3.35Å; E1064-N1068 VanDerWaalsContact O-CG 3.25Å; E1064-N1068 PolarHBondContact O-N 2.86Å; E1064-N1068 PolarHBondContact O-ND2 2.81Å
1065	E	86	Confident	77.6	Confident	78 Å²	78	85.3 Å²	85.3	36%	0.364	42%	0.417	S	S	.	.	H	α-helix	trans	-58.6	-45.7	174.1	-73.5	173.9	-177.7	0	0	112	K1061 R1062 K1063 N1068 I1069	K1061-E1065 WeakPolarHBondContact O-CG 3.28Å; K1061-E1065 PolarHBondContact O-N 3.48Å; R1062-E1065 WeakPolarHBondContact CD-OE2 3.47Å; R1062-E1065 IonicContact CZ-OE2 2.89Å; R1062-E1065 IonicContact NH1-OE2 3.59Å; R1062-E1065 PolarHBondContact NH1-OE2 2.97Å; R1062-E1065 PolarHBondContact O-N 3.43Å; K1063-E1065 PolarHBondContact O-N 2.78Å; E1065-N1068 PolarHBondContact O-N 3.41Å; E1065-I1069 WeakPolarHBondContact O-CB 3.46Å; E1065-I1069 VanDerWaalsContact O-CG1 3.22Å; E1065-I1069 WeakPolarHBondContact O-CG1 3.47Å; E1065-I1069 PolarHBondContact O-N 3.19Å
1066	L	84	Confident	76.8	Confident	9 Å²	9	91 Å²	91	5%	0.047	44%	0.443	C	S	.	.	H	α-helix	trans	-65.7	-39.4	178.5	-72.4	170.8	0	0	0	112.1	R1062 K1063 E1064 I1069 G1070 K1086 I1087 I1090	R1062-L1066 WeakPolarHBondContact O-CG 3.37Å; R1062-L1066 PolarHBondContact O-N 3.37Å; K1063-L1066 PolarHBondContact O-N 2.96Å; E1064-L1066 PolarHBondContact O-N 2.96Å; L1066-I1069 PolarHBondContact O-N 2.94Å; L1066-G1070 PolarHBondContact O-N 3.45Å; L1066-K1086 HydrophobicContact CD1-CB 4.09Å; L1066-I1087 HydrophobicContact CB-CD1 4.22Å; L1066-I1087 HydrophobicContact CB-CG1 3.95Å; L1066-I1087 HydrophobicContact CD1-CG1 4.43Å; L1066-I1090 HydrophobicContact CD1-CD1 3.43Å; L1066-I1090 VanDerWaalsContact CD1-CD1 3.43Å
1067	I	83	Confident	75.8	Confident	61 Å²	61	97.6 Å²	97.6	31%	0.313	47%	0.473	S	S	.	.	H	α-helix	trans	-61.9	-44.6	173.4	-69.7	166.9	0	0	0	110.2	K1063 E1064 G1070 K1071 I1087	K1063-I1067 HydrophobicContact CG-CD1 3.97Å; K1063-I1067 VanDerWaalsContact O-CG1 3.28Å; K1063-I1067 WeakPolarHBondContact O-CG1 3.29Å; K1063-I1067 PolarHBondContact O-N 3.18Å; E1064-I1067 PolarHBondContact O-N 2.66Å; I1067-G1070 PolarHBondContact O-N 2.77Å; I1067-K1071 HydrophobicContact CG2-CD 4.44Å; I1067-K1071 WeakPolarHBondContact O-CG 3.14Å; I1067-K1071 PolarHBondContact O-N 3.35Å; I1067-I1087 HydrophobicContact CG1-CD1 3.77Å; I1067-I1087 HydrophobicContact CG1-CG1 4.41Å
1068	N	80.4	Confident	74.7	Confident	85 Å²	85	99.3 Å²	99.3	46%	0.455	48%	0.483	S	S	.	.	H	α-helix	trans	-65.6	-41.1	178.3	-73.6	-23.2	0	0	0	112.2	E1064 E1065 G1070 K1071 M1072	E1064-N1068 WeakPolarHBondContact O-CB 3.35Å; E1064-N1068 VanDerWaalsContact O-CG 3.25Å; E1064-N1068 PolarHBondContact O-N 2.86Å; E1064-N1068 PolarHBondContact O-ND2 2.81Å; E1065-N1068 PolarHBondContact O-N 3.41Å; N1068-G1070 VanDerWaalsContact C-N 3.3Å; N1068-G1070 PolarHBondContact O-N 3.39Å; N1068-K1071 PolarHBondContact O-N 2.59Å; N1068-M1072 WeakPolarHBondContact O-CG 3.45Å; N1068-M1072 PolarHBondContact O-N 2.98Å
1069	I	76.8	Confident	73.7	Confident	63 Å²	63	97.5 Å²	97.5	32%	0.323	48%	0.475	S	S	.	.	H	α-helix	trans	-60.9	-40.8	173.2	-70	164.3	0	0	0	110.7	E1065 L1066 M1072 K1073	E1065-I1069 WeakPolarHBondContact O-CB 3.46Å; E1065-I1069 VanDerWaalsContact O-CG1 3.22Å; E1065-I1069 WeakPolarHBondContact O-CG1 3.47Å; E1065-I1069 PolarHBondContact O-N 3.19Å; L1066-I1069 PolarHBondContact O-N 2.94Å; I1069-M1072 PolarHBondContact O-N 3.33Å; I1069-K1073 HydrophobicContact CG2-CD 4.27Å; I1069-K1073 PolarHBondContact O-N 3.02Å; I1069-K1073 VanDerWaalsContact O-N 3.11Å
1070	G	73.1	Confident	72.7	Confident	25 Å²	25	100 Å²	100	26%	0.258	49%	0.485	S	S	.	.	H	α-helix	trans	-62.9	-41.2	175	0	0	0	0	0	113.1	L1066 I1067 N1068	L1066-G1070 PolarHBondContact O-N 3.45Å; I1067-G1070 PolarHBondContact O-N 2.77Å; N1068-G1070 VanDerWaalsContact C-N 3.3Å; N1068-G1070 PolarHBondContact O-N 3.39Å
1071	K	72.6	Confident	71.9	Confident	158 Å²	158	103.2 Å²	103.2	69%	0.687	50%	0.496	S	S	*	.	H	α-helix	trans	-66.8	-38.1	176	-72.9	177.6	-179.1	176	0	112.9	I1067 N1068	I1067-K1071 HydrophobicContact CG2-CD 4.44Å; I1067-K1071 WeakPolarHBondContact O-CG 3.14Å; I1067-K1071 PolarHBondContact O-N 3.35Å; N1068-K1071 PolarHBondContact O-N 2.59Å
1072	M	67.8	Low	71.3	Confident	173 Å²	173	100.6 Å²	100.6	85%	0.852	49%	0.49	S	S	*	.	H	α-helix	trans	-75.3	-29.1	-179.7	-71.6	-161.8	178.9	0	0	113.4	N1068 I1069	N1068-M1072 WeakPolarHBondContact O-CG 3.45Å; N1068-M1072 PolarHBondContact O-N 2.98Å; I1069-M1072 PolarHBondContact O-N 3.33Å
1073	K	59.1	Low	70.9	Confident	121 Å²	121	95.9 Å²	95.9	53%	0.526	47%	0.474	S	S	.	.			trans	-100.5	90.9	-178.7	-70.5	-175.5	175.5	-178.2	0	111.3	I1069 S1075	I1069-K1073 HydrophobicContact CG2-CD 4.27Å; I1069-K1073 PolarHBondContact O-N 3.02Å; I1069-K1073 VanDerWaalsContact O-N 3.11Å; K1073-S1075 PolarHBondContact O-N 2.87Å
1074	K	53.4	Low	70.5	Confident	203 Å²	203	98.9 Å²	98.9	88%	0.883	49%	0.489	S	S	*	.			trans	-73.8	12.1	169.8	-96.3	-172	178.2	-177.5	0	114.8
1075	S	47.2	Very low	70.2	Confident	84 Å²	84	99.4 Å²	99.4	59%	0.587	49%	0.49	S	S	*	.			trans	-127.1	123.8	-174.8	62.9	0	0	0	0	113.3	K1073	K1073-S1075 PolarHBondContact O-N 2.87Å
1076	K	56	Low	70.1	Confident	162 Å²	162	100.5 Å²	100.5	70%	0.704	49%	0.493	S	S	*	.			trans	92.9	109.2	173.8	-57.2	-174.9	177.1	-174.9	0	117	N1078 T1079 Q1080	K1076-N1078 PolarHBondContact O-N 2.76Å; K1076-T1079 PolarHBondContact O-N 3.18Å; K1076-T1079 VanDerWaalsContact O-N 3.13Å; K1076-Q1080 PolarHBondContact O-N 3.16Å
1077	Q	60.7	Low	70.1	Confident	146 Å²	146	101.8 Å²	101.8	68%	0.682	50%	0.5	S	S	*	.	H	α-helix	trans	-49.5	-50	174.2	-129.4	166.2	-16.5	0	0	112.9	T1079 Q1080 E1081	Q1077-T1079 VanDerWaalsContact C-N 3.28Å; Q1077-T1079 PolarHBondContact O-N 2.68Å; Q1077-Q1080 WeakPolarHBondContact O-CB 3.48Å; Q1077-Q1080 PolarHBondContact O-N 2.74Å; Q1077-E1081 PolarHBondContact O-N 2.96Å
1078	N	60.8	Low	70.2	Confident	119 Å²	119	103.7 Å²	103.7	64%	0.636	51%	0.507	S	S	*	.	H	α-helix	trans	-59.4	-34.5	179	-72.9	18.6	0	0	0	113.8	K1076 T1082	K1076-N1078 PolarHBondContact O-N 2.76Å; N1078-T1082 WeakPolarHBondContact O-CB 3.37Å; N1078-T1082 PolarHBondContact O-N 2.85Å; N1078-T1082 PolarHBondContact O-OG1 3.42Å
1079	T	62.7	Low	70.3	Confident	54 Å²	54	102.1 Å²	102.1	33%	0.331	50%	0.5	S	S	.	.	H	α-helix	trans	-72.8	-35.6	178.7	-40.1	0	0	0	0	110.7	K1076 Q1077 N1083	K1076-T1079 PolarHBondContact O-N 3.18Å; K1076-T1079 VanDerWaalsContact O-N 3.13Å; Q1077-T1079 VanDerWaalsContact C-N 3.28Å; Q1077-T1079 PolarHBondContact O-N 2.68Å; T1079-N1083 VanDerWaalsContact O-CB 3.28Å; T1079-N1083 WeakPolarHBondContact O-CB 3.35Å; T1079-N1083 VanDerWaalsContact O-CG 3.23Å; T1079-N1083 PolarHBondContact O-N 2.81Å; T1079-N1083 PolarHBondContact O-ND2 2.83Å
1080	Q	65.8	Low	70.6	Confident	95 Å²	95	100 Å²	100	44%	0.444	49%	0.489	S	S	.	.	H	α-helix	trans	-66.3	-46.9	174	-74	-178	-25.3	0	0	110.7	K1076 Q1077 T1082 N1083 Q1084	K1076-Q1080 PolarHBondContact O-N 3.16Å; Q1077-Q1080 WeakPolarHBondContact O-CB 3.48Å; Q1077-Q1080 PolarHBondContact O-N 2.74Å; Q1080-T1082 PolarHBondContact O-N 2.83Å; Q1080-N1083 PolarHBondContact O-N 3.24Å; Q1080-Q1084 WeakPolarHBondContact O-CB 3.38Å; Q1080-Q1084 PolarHBondContact O-N 2.93Å
1081	E	71.5	Confident	71.2	Confident	114 Å²	114	101.8 Å²	101.8	53%	0.533	49%	0.491	S	S	.	.	H	α-helix	trans	-59.5	-46.5	175.5	-72.4	174.9	-177.6	0	0	111.9	Q1077 N1083 Q1084 F1085	Q1077-E1081 PolarHBondContact O-N 2.96Å; E1081-N1083 VanDerWaalsContact C-N 3.35Å; E1081-N1083 PolarHBondContact O-N 3.25Å; E1081-Q1084 PolarHBondContact O-N 3.48Å; E1081-F1085 WeakPolarHBondContact O-CB 3.35Å; E1081-F1085 PolarHBondContact O-N 2.99Å
1082	T	75.9	Confident	71.6	Confident	69 Å²	69	101.3 Å²	101.3	42%	0.423	49%	0.489	S	S	.	.	H	α-helix	trans	-62.9	-41.3	177.9	-52.8	0	0	0	0	111.7	N1078 Q1080 K1086	N1078-T1082 WeakPolarHBondContact O-CB 3.37Å; N1078-T1082 PolarHBondContact O-N 2.85Å; N1078-T1082 PolarHBondContact O-OG1 3.42Å; Q1080-T1082 PolarHBondContact O-N 2.83Å; T1082-K1086 HydrophobicContact CG2-CD 4.46Å; T1082-K1086 WeakPolarHBondContact O-CB 3.41Å; T1082-K1086 VanDerWaalsContact O-CG 3.28Å; T1082-K1086 WeakPolarHBondContact O-CG 3.24Å; T1082-K1086 PolarHBondContact O-N 3.19Å
1083	N	77.9	Confident	72.1	Confident	19 Å²	19	98.8 Å²	98.8	10%	0.102	47%	0.473	C	S	.	.	H	α-helix	trans	-70.5	-37.8	177.9	-76.8	-12.6	0	0	0	111.6	T1079 Q1080 E1081 K1086 I1087	T1079-N1083 VanDerWaalsContact O-CB 3.28Å; T1079-N1083 WeakPolarHBondContact O-CB 3.35Å; T1079-N1083 VanDerWaalsContact O-CG 3.23Å; T1079-N1083 PolarHBondContact O-N 2.81Å; T1079-N1083 PolarHBondContact O-ND2 2.83Å; Q1080-N1083 PolarHBondContact O-N 3.24Å; E1081-N1083 VanDerWaalsContact C-N 3.35Å; E1081-N1083 PolarHBondContact O-N 3.25Å; N1083-K1086 PolarHBondContact O-N 3.21Å; N1083-I1087 WeakPolarHBondContact O-CB 3.26Å; N1083-I1087 WeakPolarHBondContact O-CD1 3.38Å; N1083-I1087 VanDerWaalsContact O-CG1 3.22Å; N1083-I1087 WeakPolarHBondContact O-CG1 3.46Å; N1083-I1087 PolarHBondContact O-N 2.84Å
1084	Q	80.3	Confident	73.1	Confident	116 Å²	116	93.3 Å²	93.3	54%	0.542	45%	0.45	S	S	.	.	H	α-helix	trans	-66	-44.4	176.9	-170.5	167.2	-11	0	0	110.9	Q1080 E1081 K1086 I1087 E1088	Q1080-Q1084 WeakPolarHBondContact O-CB 3.38Å; Q1080-Q1084 PolarHBondContact O-N 2.93Å; E1081-Q1084 PolarHBondContact O-N 3.48Å; Q1084-K1086 VanDerWaalsContact C-N 3.35Å; Q1084-K1086 PolarHBondContact O-N 3.31Å; Q1084-I1087 WeakPolarHBondContact O-CB 3.38Å; Q1084-I1087 PolarHBondContact O-N 3.28Å; Q1084-I1087 VanDerWaalsContact O-N 3.13Å; Q1084-E1088 PolarHBondContact O-N 2.94Å
1085	F	80.2	Confident	74.3	Confident	134 Å²	134	88.2 Å²	88.2	59%	0.588	43%	0.43	S	S	*	.	H	α-helix	trans	-58	-45	171.1	-179.1	-101.1	0	0	0	112	E1081 I1087 E1088 V1089	E1081-F1085 WeakPolarHBondContact O-CB 3.35Å; E1081-F1085 PolarHBondContact O-N 2.99Å; F1085-I1087 VanDerWaalsContact C-N 3.33Å; F1085-I1087 PolarHBondContact O-N 3.03Å; F1085-E1088 PolarHBondContact O-N 3.28Å; F1085-V1089 HydrophobicContact CD1-CG2 4.18Å; F1085-V1089 HydrophobicContact CE1-CG2 3.78Å; F1085-V1089 HydrophobicContact CE2-CG2 4.28Å; F1085-V1089 HydrophobicContact CZ-CG2 3.84Å; F1085-V1089 VanDerWaalsContact O-CG2 3.3Å; F1085-V1089 WeakPolarHBondContact O-CG2 3.44Å; F1085-V1089 PolarHBondContact O-N 3.11Å
1086	K	82.8	Confident	75.6	Confident	101 Å²	101	89.2 Å²	89.2	44%	0.439	42%	0.423	S	S	.	.	H	α-helix	trans	-61.6	-40	174.9	-75.6	171.3	-177.8	172.8	0	112.3	L1066 T1082 N1083 Q1084 V1089 I1090	L1066-K1086 HydrophobicContact CD1-CB 4.09Å; T1082-K1086 HydrophobicContact CG2-CD 4.46Å; T1082-K1086 WeakPolarHBondContact O-CB 3.41Å; T1082-K1086 VanDerWaalsContact O-CG 3.28Å; T1082-K1086 WeakPolarHBondContact O-CG 3.24Å; T1082-K1086 PolarHBondContact O-N 3.19Å; N1083-K1086 PolarHBondContact O-N 3.21Å; Q1084-K1086 VanDerWaalsContact C-N 3.35Å; Q1084-K1086 PolarHBondContact O-N 3.31Å; K1086-V1089 PolarHBondContact O-N 2.79Å; K1086-I1090 WeakPolarHBondContact O-CB 3.43Å; K1086-I1090 WeakPolarHBondContact O-CD1 3.21Å; K1086-I1090 VanDerWaalsContact O-CG1 3.23Å; K1086-I1090 WeakPolarHBondContact O-CG1 3.37Å; K1086-I1090 PolarHBondContact O-N 3.36Å
1087	I	85	Confident	76.4	Confident	36 Å²	36	81.9 Å²	81.9	19%	0.185	39%	0.392	C	S	.	.	H	α-helix	trans	-63.9	-44.8	176.5	-72.6	162.2	0	0	0	110.2	K1063 L1066 I1067 N1083 Q1084 F1085 I1090 Q1091	K1063-I1087 HydrophobicContact CG-CG2 4.23Å; L1066-I1087 HydrophobicContact CB-CD1 4.22Å; L1066-I1087 HydrophobicContact CB-CG1 3.95Å; L1066-I1087 HydrophobicContact CD1-CG1 4.43Å; I1067-I1087 HydrophobicContact CG1-CD1 3.77Å; I1067-I1087 HydrophobicContact CG1-CG1 4.41Å; N1083-I1087 WeakPolarHBondContact O-CB 3.26Å; N1083-I1087 WeakPolarHBondContact O-CD1 3.38Å; N1083-I1087 VanDerWaalsContact O-CG1 3.22Å; N1083-I1087 WeakPolarHBondContact O-CG1 3.46Å; N1083-I1087 PolarHBondContact O-N 2.84Å; Q1084-I1087 WeakPolarHBondContact O-CB 3.38Å; Q1084-I1087 PolarHBondContact O-N 3.28Å; Q1084-I1087 VanDerWaalsContact O-N 3.13Å; F1085-I1087 VanDerWaalsContact C-N 3.33Å; F1085-I1087 PolarHBondContact O-N 3.03Å; I1087-I1090 PolarHBondContact O-N 3.1Å; I1087-Q1091 VanDerWaalsContact O-CB 3.31Å; I1087-Q1091 WeakPolarHBondContact O-CB 3.17Å; I1087-Q1091 PolarHBondContact O-N 3.15Å
1088	E	84.3	Confident	77.1	Confident	100 Å²	100	79.4 Å²	79.4	47%	0.467	38%	0.38	S	S	.	.	H	α-helix	trans	-63.2	-41.2	175.9	-75	176.3	-168.6	0	0	112.5	Q1084 F1085 I1090 Q1091 K1092	Q1084-E1088 PolarHBondContact O-N 2.94Å; F1085-E1088 PolarHBondContact O-N 3.28Å; E1088-I1090 VanDerWaalsContact C-N 3.35Å; E1088-Q1091 WeakPolarHBondContact O-CB 3.34Å; E1088-Q1091 PolarHBondContact O-N 2.61Å; E1088-K1092 WeakPolarHBondContact O-CG 3.03Å; E1088-K1092 PolarHBondContact O-N 2.69Å
1089	V	83.1	Confident	77.6	Confident	52 Å²	52	80.5 Å²	80.5	32%	0.315	38%	0.376	S	S	.	.	H	α-helix	trans	-63.7	-41.7	174.7	170.2	0	0	0	0	111	F1085 K1086 K1093	F1085-V1089 HydrophobicContact CD1-CG2 4.18Å; F1085-V1089 HydrophobicContact CE1-CG2 3.78Å; F1085-V1089 HydrophobicContact CE2-CG2 4.28Å; F1085-V1089 HydrophobicContact CZ-CG2 3.84Å; F1085-V1089 VanDerWaalsContact O-CG2 3.3Å; F1085-V1089 WeakPolarHBondContact O-CG2 3.44Å; F1085-V1089 PolarHBondContact O-N 3.11Å; K1086-V1089 PolarHBondContact O-N 2.79Å; V1089-K1093 WeakPolarHBondContact O-CG 3.46Å; V1089-K1093 PolarHBondContact O-N 3.12Å
1090	I	83.4	Confident	77.3	Confident	18 Å²	18	78.7 Å²	78.7	9%	0.092	36%	0.364	C	S	.	.	H	α-helix	trans	-66.1	-43.9	175.8	-69.8	164.3	0	0	0	110.4	L1059 R1062 K1063 L1066 K1086 I1087 E1088 K1092 K1093 V1094	L1059-I1090 HydrophobicContact CB-CG2 4.12Å; L1059-I1090 HydrophobicContact CD2-CG2 4.32Å; R1062-I1090 HydrophobicContact CG-CD1 4.12Å; K1063-I1090 HydrophobicContact CB-CG2 3.95Å; L1066-I1090 HydrophobicContact CD1-CD1 3.43Å; L1066-I1090 VanDerWaalsContact CD1-CD1 3.43Å; K1086-I1090 WeakPolarHBondContact O-CB 3.43Å; K1086-I1090 WeakPolarHBondContact O-CD1 3.21Å; K1086-I1090 VanDerWaalsContact O-CG1 3.23Å; K1086-I1090 WeakPolarHBondContact O-CG1 3.37Å; K1086-I1090 PolarHBondContact O-N 3.36Å; I1087-I1090 PolarHBondContact O-N 3.1Å; E1088-I1090 VanDerWaalsContact C-N 3.35Å; I1090-K1092 PolarHBondContact O-N 3.49Å; I1090-K1093 CarbonylContact O-C 3.54Å; I1090-K1093 WeakPolarHBondContact O-CB 3.46Å; I1090-K1093 PolarHBondContact O-N 2.91Å; I1090-K1093 VanDerWaalsContact O-N 3.13Å; I1090-V1094 HydrophobicContact CG2-CG2 4.16Å; I1090-V1094 WeakPolarHBondContact O-CG2 3.42Å; I1090-V1094 PolarHBondContact O-N 3.28Å
1091	Q	85.7	Confident	77.3	Confident	63 Å²	63	75 Å²	75	29%	0.294	35%	0.347	S	S	.	.	H	α-helix	trans	-55.1	-52.6	176.8	-177.2	72.9	31.1	0	0	111	K1063 I1087 E1088 K1093 V1094 E1095	K1063-Q1091 VanDerWaalsContact CE-OE1 3.25Å; I1087-Q1091 VanDerWaalsContact O-CB 3.31Å; I1087-Q1091 WeakPolarHBondContact O-CB 3.17Å; I1087-Q1091 PolarHBondContact O-N 3.15Å; E1088-Q1091 WeakPolarHBondContact O-CB 3.34Å; E1088-Q1091 PolarHBondContact O-N 2.61Å; Q1091-K1093 VanDerWaalsContact C-N 3.28Å; Q1091-K1093 PolarHBondContact O-N 3.11Å; Q1091-V1094 PolarHBondContact O-N 3.3Å; Q1091-V1094 VanDerWaalsContact O-N 3.13Å; Q1091-E1095 WeakPolarHBondContact CG-OE1 3.44Å; Q1091-E1095 PolarHBondContact NE2-OE1 2.85Å; Q1091-E1095 WeakPolarHBondContact O-CG 3.38Å; Q1091-E1095 PolarHBondContact O-N 3.46Å
1092	K	80.9	Confident	76.9	Confident	148 Å²	148	72.6 Å²	72.6	64%	0.643	34%	0.343	S	S	*	.	H	α-helix	trans	-60.3	-36.5	176.6	-73.3	-177.4	178.8	-179.5	0	112.8	E1088 I1090 K1096	E1088-K1092 WeakPolarHBondContact O-CG 3.03Å; E1088-K1092 PolarHBondContact O-N 2.69Å; I1090-K1092 PolarHBondContact O-N 3.49Å; K1092-K1096 WeakPolarHBondContact O-CB 3.39Å; K1092-K1096 PolarHBondContact O-N 3.01Å
1093	K	78.6	Confident	75.7	Confident	120 Å²	120	70.5 Å²	70.5	52%	0.522	33%	0.331	S	S	.	.	H	α-helix	trans	-68	-41.2	175	-78.9	-177.1	180	-171.8	0	112	L1059 V1089 I1090 Q1091 K1096 L1097	L1059-K1093 HydrophobicContact CD1-CB 4.32Å; V1089-K1093 WeakPolarHBondContact O-CG 3.46Å; V1089-K1093 PolarHBondContact O-N 3.12Å; I1090-K1093 CarbonylContact O-C 3.54Å; I1090-K1093 WeakPolarHBondContact O-CB 3.46Å; I1090-K1093 PolarHBondContact O-N 2.91Å; I1090-K1093 VanDerWaalsContact O-N 3.13Å; Q1091-K1093 VanDerWaalsContact C-N 3.28Å; Q1091-K1093 PolarHBondContact O-N 3.11Å; K1093-K1096 PolarHBondContact O-N 2.78Å; K1093-L1097 WeakPolarHBondContact O-CB 3.29Å; K1093-L1097 WeakPolarHBondContact O-CD1 3.5Å; K1093-L1097 VanDerWaalsContact O-CG 3.26Å; K1093-L1097 WeakPolarHBondContact O-CG 3.46Å; K1093-L1097 PolarHBondContact O-N 3.36Å
1094	V	80.3	Confident	74.6	Confident	6 Å²	6	70.8 Å²	70.8	4%	0.036	33%	0.333	C	S	.	.	H	α-helix	trans	-63.6	-50	176.4	169.4	0	0	0	0	109.8	I1056 L1059 I1090 Q1091 K1096 L1097 E1098	I1056-V1094 HydrophobicContact CG2-CG1 4.28Å; L1059-V1094 HydrophobicContact CB-CG2 3.63Å; L1059-V1094 HydrophobicContact CD1-CG2 4.15Å; I1090-V1094 HydrophobicContact CG2-CG2 4.16Å; I1090-V1094 WeakPolarHBondContact O-CG2 3.42Å; I1090-V1094 PolarHBondContact O-N 3.28Å; Q1091-V1094 PolarHBondContact O-N 3.3Å; Q1091-V1094 VanDerWaalsContact O-N 3.13Å; V1094-K1096 VanDerWaalsContact C-N 3.27Å; V1094-K1096 PolarHBondContact O-N 3.48Å; V1094-L1097 CarbonylContact O-C 3.52Å; V1094-L1097 PolarHBondContact O-N 2.85Å; V1094-E1098 HydrophobicContact CG1-CG 4.08Å; V1094-E1098 WeakPolarHBondContact CG1-OE1 2.94Å; V1094-E1098 WeakPolarHBondContact O-CB 3.34Å; V1094-E1098 WeakPolarHBondContact O-CG 3.42Å; V1094-E1098 PolarHBondContact O-N 2.77Å
1095	E	78.2	Confident	73.5	Confident	97 Å²	97	72.8 Å²	72.8	45%	0.453	34%	0.344	S	S	.	.	H	α-helix	trans	-56.4	-41.5	176.3	-73.1	165.6	-168.7	0	0	111.8	Q1091 Y1099	Q1091-E1095 WeakPolarHBondContact CG-OE1 3.44Å; Q1091-E1095 PolarHBondContact NE2-OE1 2.85Å; Q1091-E1095 WeakPolarHBondContact O-CG 3.38Å; Q1091-E1095 PolarHBondContact O-N 3.46Å; E1095-Y1099 WeakPolarHBondContact O-CB 3.42Å; E1095-Y1099 PolarHBondContact O-N 3.4Å
1096	K	74.5	Confident	73.1	Confident	104 Å²	104	69.8 Å²	69.8	45%	0.452	33%	0.332	S	S	.	.	H	α-helix	trans	-63	-47	174.2	-172.6	179.4	177	-174	0	111.7	S1009 K1092 K1093 V1094 Y1099 Q1100	S1009-K1096 WeakPolarHBondContact OG-CE 3.46Å; S1009-K1096 PolarHBondContact OG-NZ 3.17Å; K1092-K1096 WeakPolarHBondContact O-CB 3.39Å; K1092-K1096 PolarHBondContact O-N 3.01Å; K1093-K1096 PolarHBondContact O-N 2.78Å; V1094-K1096 VanDerWaalsContact C-N 3.27Å; V1094-K1096 PolarHBondContact O-N 3.48Å; K1096-Y1099 PolarHBondContact O-N 3.27Å; K1096-Q1100 VanDerWaalsContact O-CG 3.26Å; K1096-Q1100 WeakPolarHBondContact O-CG 3.45Å; K1096-Q1100 PolarHBondContact O-N 3.03Å
1097	L	72.1	Confident	72.6	Confident	8 Å²	8	68.1 Å²	68.1	4%	0.042	33%	0.326	C	S	.	.	H	α-helix	trans	-67.8	-36.7	179.9	-71.9	163.5	0	0	0	112.4	L1052 I1056 L1059 K1093 V1094 Q1100 L1101	L1052-L1097 HydrophobicContact CD2-CD2 3.58Å; I1056-L1097 HydrophobicContact CD1-CB 4.15Å; I1056-L1097 HydrophobicContact CG1-CB 3.74Å; L1059-L1097 HydrophobicContact CD1-CD1 3.35Å; K1093-L1097 WeakPolarHBondContact O-CB 3.29Å; K1093-L1097 WeakPolarHBondContact O-CD1 3.5Å; K1093-L1097 VanDerWaalsContact O-CG 3.26Å; K1093-L1097 WeakPolarHBondContact O-CG 3.46Å; K1093-L1097 PolarHBondContact O-N 3.36Å; V1094-L1097 CarbonylContact O-C 3.52Å; V1094-L1097 PolarHBondContact O-N 2.85Å; L1097-Q1100 WeakPolarHBondContact O-CB 3.49Å; L1097-Q1100 PolarHBondContact O-N 3.33Å; L1097-L1101 WeakPolarHBondContact O-CB 3.45Å; L1097-L1101 PolarHBondContact O-N 2.98Å
1098	E	76.3	Confident	71.9	Confident	95 Å²	95	69.9 Å²	69.9	44%	0.444	33%	0.334	S	S	.	.	H	α-helix	trans	-64.7	-42.4	174.1	-75.3	174.9	164.7	0	0	110.8	I1056 V1094 Q1100 L1101 S1102	I1056-E1098 HydrophobicContact CD1-CG 3.9Å; I1056-E1098 HydrophobicContact CG1-CG 4.37Å; I1056-E1098 HydrophobicContact CG2-CG 4.32Å; V1094-E1098 HydrophobicContact CG1-CG 4.08Å; V1094-E1098 WeakPolarHBondContact CG1-OE1 2.94Å; V1094-E1098 WeakPolarHBondContact O-CB 3.34Å; V1094-E1098 WeakPolarHBondContact O-CG 3.42Å; V1094-E1098 PolarHBondContact O-N 2.77Å; E1098-Q1100 VanDerWaalsContact C-N 3.34Å; E1098-Q1100 PolarHBondContact O-N 3.47Å; E1098-L1101 PolarHBondContact O-N 2.96Å; E1098-S1102 WeakPolarHBondContact O-CB 3.45Å; E1098-S1102 PolarHBondContact O-N 3.23Å
1099	Y	70.8	Confident	71.2	Confident	141 Å²	141	68.1 Å²	68.1	55%	0.553	33%	0.326	S	S	*	.	H	α-helix	trans	-60.3	-44.6	171.6	178.6	-105.5	0	0	0	111.5	E1095 K1096 L1101 S1102 C1103	E1095-Y1099 WeakPolarHBondContact O-CB 3.42Å; E1095-Y1099 PolarHBondContact O-N 3.4Å; K1096-Y1099 PolarHBondContact O-N 3.27Å; Y1099-L1101 VanDerWaalsContact C-N 3.34Å; Y1099-L1101 PolarHBondContact O-N 3.13Å; Y1099-S1102 WeakPolarHBondContact CA-OG 3.18Å; Y1099-S1102 PolarHBondContact O-N 3.37Å; Y1099-S1102 PolarHBondContact O-OG 3.35Å; Y1099-C1103 VanDerWaalsContact CZ-SG 3.56Å; Y1099-C1103 PolarHBondContact O-N 3.32Å; Y1099-C1103 PolarHBondContact O-SG 3.42Å
1100	Q	57.1	Low	70.5	Confident	17 Å²	17	69.1 Å²	69.1	8%	0.079	33%	0.327	C	S	.	.	H	α-helix	trans	-59.6	-44.1	175	-68.8	-179.5	-35.9	0	0	112.4	A1006 S1009 L1052 K1096 L1097 E1098 S1102 C1103 L1104	A1006-Q1100 VanDerWaalsContact O-CD 3.27Å; A1006-Q1100 WeakPolarHBondContact O-CG 3.46Å; A1006-Q1100 PolarHBondContact O-NE2 2.99Å; S1009-Q1100 PolarHBondContact OG-NE2 3.41Å; L1052-Q1100 HydrophobicContact CD1-CB 4.45Å; K1096-Q1100 VanDerWaalsContact O-CG 3.26Å; K1096-Q1100 WeakPolarHBondContact O-CG 3.45Å; K1096-Q1100 PolarHBondContact O-N 3.03Å; L1097-Q1100 WeakPolarHBondContact O-CB 3.49Å; L1097-Q1100 PolarHBondContact O-N 3.33Å; E1098-Q1100 VanDerWaalsContact C-N 3.34Å; E1098-Q1100 PolarHBondContact O-N 3.47Å; Q1100-S1102 VanDerWaalsContact C-N 3.34Å; Q1100-C1103 PolarHBondContact O-N 3.25Å; Q1100-L1104 WeakPolarHBondContact O-CB 3.4Å; Q1100-L1104 PolarHBondContact O-N 2.85Å; Q1100-L1104 VanDerWaalsContact O-N 3.08Å
1101	L	64.8	Low	69.6	Low	16 Å²	16	72.5 Å²	72.5	8%	0.084	34%	0.342	C	S	.	.	H	α-helix	trans	-63.5	-40.5	176.4	-174.1	67.9	0	0	0	111.2	R1049 L1052 Q1053 I1056 L1097 E1098 Y1099 L1104 M1105	R1049-L1101 HydrophobicContact CB-CD1 4.35Å; R1049-L1101 HydrophobicContact CG-CD1 3.63Å; L1052-L1101 HydrophobicContact CB-CD1 4.09Å; Q1053-L1101 VanDerWaalsContact OE1-CD2 3.27Å; I1056-L1101 HydrophobicContact CD1-CB 4.26Å; I1056-L1101 HydrophobicContact CD1-CD2 3.83Å; L1097-L1101 WeakPolarHBondContact O-CB 3.45Å; L1097-L1101 PolarHBondContact O-N 2.98Å; E1098-L1101 PolarHBondContact O-N 2.96Å; Y1099-L1101 VanDerWaalsContact C-N 3.34Å; Y1099-L1101 PolarHBondContact O-N 3.13Å; L1101-L1104 WeakPolarHBondContact O-CB 3.45Å; L1101-L1104 PolarHBondContact O-N 2.97Å; L1101-M1105 WeakPolarHBondContact O-CG 3.2Å; L1101-M1105 PolarHBondContact O-N 3.36Å; L1101-M1105 VanDerWaalsContact O-N 3.09Å
1102	S	62.5	Low	68.5	Low	64 Å²	64	73.2 Å²	73.2	45%	0.448	35%	0.346	S	S	.	.	H	α-helix	trans	-67.5	-33.5	177.7	75.3	0	0	0	0	113.3	E1098 Y1099 Q1100 L1104 M1105	E1098-S1102 WeakPolarHBondContact O-CB 3.45Å; E1098-S1102 PolarHBondContact O-N 3.23Å; Y1099-S1102 WeakPolarHBondContact CA-OG 3.18Å; Y1099-S1102 PolarHBondContact O-N 3.37Å; Y1099-S1102 PolarHBondContact O-OG 3.35Å; Q1100-S1102 VanDerWaalsContact C-N 3.34Å; S1102-L1104 VanDerWaalsContact C-N 3.32Å; S1102-M1105 VanDerWaalsContact O-OXT 3.1Å
1103	C	51.9	Low	67.5	Low	25 Å²	25	67.5 Å²	67.5	17%	0.169	32%	0.323	C	S	.	.	H	α-helix	trans	-73.8	-28.1	174.1	-63.2	0	0	0	0	111.8	V1003 A1006 Y1099 Q1100	V1003-C1103 WeakPolarHBondContact CG2-O 3.25Å; A1006-C1103 HydrophobicContact CB-CB 3.42Å; A1006-C1103 VanDerWaalsContact CB-CB 3.42Å; Y1099-C1103 VanDerWaalsContact CZ-SG 3.56Å; Y1099-C1103 PolarHBondContact O-N 3.32Å; Y1099-C1103 PolarHBondContact O-SG 3.42Å; Q1100-C1103 PolarHBondContact O-N 3.25Å
1104	L	53.8	Low	66.6	Low	26 Å²	26	63.1 Å²	63.1	14%	0.136	31%	0.306	C	S	.	.	H	α-helix	trans	-74.2	-27.1	175.7	-106.5	163.9	0	0	0	113.2	L1007 L1045 L1052 Q1100 L1101 S1102	L1007-L1104 HydrophobicContact CD1-CD2 4.39Å; L1007-L1104 HydrophobicContact CD2-CD1 3.38Å; L1007-L1104 HydrophobicContact CD2-CD2 3.9Å; L1007-L1104 HydrophobicContact CD2-CG 3.55Å; L1007-L1104 HydrophobicContact CG-CD1 4.45Å; L1007-L1104 HydrophobicContact CG-CD2 4.49Å; L1007-L1104 HydrophobicContact CG-CG 4.17Å; L1045-L1104 HydrophobicContact CD2-CD2 3.62Å; L1052-L1104 HydrophobicContact CD1-CD1 3.18Å; Q1100-L1104 WeakPolarHBondContact O-CB 3.4Å; Q1100-L1104 PolarHBondContact O-N 2.85Å; Q1100-L1104 VanDerWaalsContact O-N 3.08Å; L1101-L1104 WeakPolarHBondContact O-CB 3.45Å; L1101-L1104 PolarHBondContact O-N 2.97Å; S1102-L1104 VanDerWaalsContact C-N 3.32Å
1105	M	57.2	Low	65.4	Low	158 Å²	158	68.3 Å²	68.3	78%	0.778	33%	0.331	S	S	*	.			trans	-83.9	0	177.4	-76.1	-169.9	57.7	0	0	111	R1049 L1101 S1102	R1049-M1105 PolarHBondContact NH2-SD 2.84Å; L1101-M1105 WeakPolarHBondContact O-CG 3.2Å; L1101-M1105 PolarHBondContact O-N 3.36Å; L1101-M1105 VanDerWaalsContact O-N 3.09Å; S1102-M1105 VanDerWaalsContact O-OXT 3.1Å

Retrieved 1,105 of 1,105 residues in 374.4 ms (Link to these results)

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