A0A087X8U5_POEFO Loading...

Ribosomal protein S6 kinase

AlphaFold DB , UniProt , Accession A0A087X8U5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 734 aa.

Structure Viewer

Loading PAE data...

(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	23.7	Very low	29.3	Very low	243 Å²	243	155.9 Å²	155.9	100%	1.197	84%	0.84	S	S	*	*				0	140.4	0	-76.9	-147.3	-113.4	0	0	108.9
2	P	32.8	Very low	29.6	Very low	111 Å²	111	159.6 Å²	159.6	72%	0.721	84%	0.842	S	S	*	*				-126	163.4	-125	34.2	-17.4	0	0	0	116.3
3	L	27.9	Very low	29.5	Very low	167 Å²	167	161.2 Å²	161.2	87%	0.874	85%	0.846	S	S	*	*			trans	41.4	126.7	142.6	-67.8	161.6	0	0	0	121
4	A	27.3	Very low	30.1	Very low	104 Å²	104	156.8 Å²	156.8	86%	0.86	83%	0.831	S	S	*	*			trans	-141.9	127.5	143.2	0	0	0	0	0	110.7
5	Q	29.6	Very low	30.1	Very low	176 Å²	176	156 Å²	156	82%	0.822	84%	0.835	S	S	*	*			trans	-80.2	164.6	177.5	-65.8	167.8	-32	0	0	112.2
6	L	28.1	Very low	29.8	Very low	164 Å²	164	150.6 Å²	150.6	86%	0.859	83%	0.827	S	S	*	*				157.3	107.5	127.8	-83.1	156.8	0	0	0	107.5
7	A	28.8	Very low	29.7	Very low	93 Å²	93	146 Å²	146	77%	0.769	82%	0.823	S	S	*	*				92.5	125.8	69.5	0	0	0	0	0	113
8	D	37.1	Very low	29.6	Very low	157 Å²	157	146.6 Å²	146.6	84%	0.84	83%	0.83	S	S	*	*			trans	-66.3	143.7	-178.5	-161.9	6.7	0	0	0	112.6
9	P	28	Very low	29.6	Very low	88 Å²	88	144.6 Å²	144.6	57%	0.571	83%	0.834	S	S	*	*			trans	-116.3	130.8	173.2	41.6	-29.3	0	0	0	112.5
10	W	31.1	Very low	29.5	Very low	228 Å²	228	141.4 Å²	141.4	86%	0.864	83%	0.834	S	S	*	*			trans	92.2	79	160.1	-44.9	110	0	0	0	116.9
11	Q	28.3	Very low	29.4	Very low	184 Å²	184	143.4 Å²	143.4	86%	0.86	84%	0.835	S	S	*	*				57.5	114.1	83	-83.7	-172.2	-23	0	0	117.5
12	K	32.7	Very low	29.6	Very low	200 Å²	200	140.5 Å²	140.5	87%	0.87	82%	0.818	S	S	*	*			trans	-73.7	161.3	164.1	-68.2	175.5	172.2	177.7	0	112
13	M	28.3	Very low	29.2	Very low	181 Å²	181	139.5 Å²	139.5	89%	0.892	82%	0.82	S	S	*	*				174.7	166	124.3	-97.8	-160.4	167.7	0	0	112.1
14	P	38.3	Very low	29.3	Very low	99 Å²	99	140.3 Å²	140.3	64%	0.643	82%	0.818	S	S	*	*				-145.1	-171.8	-73.7	33.3	-7.4	0	0	0	115.8
15	V	29.7	Very low	29.2	Very low	145 Å²	145	143.8 Å²	143.8	88%	0.879	82%	0.817	S	S	*	*			trans	75.4	139.3	153.7	-155.3	0	0	0	0	117.8
16	G	25.8	Very low	29.2	Very low	69 Å²	69	142.6 Å²	142.6	71%	0.711	82%	0.816	S	S	*	*			cis	-169.5	168.7	9.2	0	0	0	0	0	111.5
17	G	27.6	Very low	29.5	Very low	73 Å²	73	140.8 Å²	140.8	75%	0.753	81%	0.814	S	S	*	*			trans	-95.5	-177.8	-169.7	0	0	0	0	0	116
18	T	27.3	Very low	29.5	Very low	156 Å²	156	144.6 Å²	144.6	96%	0.957	82%	0.815	S	S	*	*			trans	-170	153.6	141.7	17.5	0	0	0	0	109.3
19	A	29.7	Very low	29.2	Very low	110 Å²	110	144.4 Å²	144.4	91%	0.909	82%	0.815	S	S	*	*			trans	-79.1	165.1	-165.8	0	0	0	0	0	115.1
20	G	27.3	Very low	29.2	Very low	80 Å²	80	145.3 Å²	145.3	83%	0.825	83%	0.829	S	S	*	*			trans	-179.5	125	165	0	0	0	0	0	111.9
21	E	28.5	Very low	29.1	Very low	183 Å²	183	139.5 Å²	139.5	86%	0.855	83%	0.83	S	S	*	*			trans	-78.3	160.7	-172	-78.1	165.3	146.9	0	0	115.8
22	E	26.4	Very low	29	Very low	183 Å²	183	134.2 Å²	134.2	86%	0.855	83%	0.825	S	S	*	*			trans	78.3	136.2	142.6	-80.8	-178.5	-176.8	0	0	124.6
23	A	26	Very low	28.9	Very low	90 Å²	90	133 Å²	133	74%	0.744	83%	0.828	S	S	*	*			trans	91.7	108.2	141.3	0	0	0	0	0	121.9
24	H	28.3	Very low	29	Very low	183 Å²	183	131.3 Å²	131.3	85%	0.847	82%	0.822	S	S	*	*			trans	30.3	143.3	132.7	-83.1	-66.6	0	0	0	124
25	H	25.9	Very low	28.5	Very low	178 Å²	178	133.4 Å²	133.4	82%	0.824	83%	0.828	S	S	*	*			trans	97.9	123	148.4	-98.1	59.8	0	0	0	118.7
26	D	30.8	Very low	28.5	Very low	151 Å²	151	131.2 Å²	131.2	81%	0.807	82%	0.819	S	S	*	*			trans	-51.5	154.8	167.3	-62.4	-65.5	0	0	0	112.2
27	P	32.9	Very low	28.8	Very low	125 Å²	125	135.3 Å²	135.3	81%	0.812	82%	0.822	S	S	*	*				-148.5	175.6	89	34.5	-13.4	0	0	0	116.6
28	E	28.8	Very low	28.8	Very low	173 Å²	173	137.3 Å²	137.3	81%	0.808	82%	0.821	S	S	*	*			trans	-46	158.8	-179.8	-65.5	168.1	146.3	0	0	119.3
29	D	30.5	Very low	28.9	Very low	154 Å²	154	134.6 Å²	134.6	82%	0.824	82%	0.815	S	S	*	*			trans	58	112.7	146.1	-72	-17.2	0	0	0	121.1
30	A	29	Very low	28.7	Very low	106 Å²	106	135.2 Å²	135.2	88%	0.876	81%	0.811	S	S	*	*				157.6	117.7	114.3	0	0	0	0	0	112.4
31	A	28.2	Very low	29	Very low	107 Å²	107	137.4 Å²	137.4	88%	0.884	81%	0.809	S	S	*	*			trans	173.1	124.7	148.8	0	0	0	0	0	106.1
32	G	28	Very low	28.9	Very low	72 Å²	72	136.1 Å²	136.1	74%	0.742	81%	0.807	S	S	*	*			cis	107.7	73.9	33.1	0	0	0	0	0	107.5
33	D	28.9	Very low	29.1	Very low	175 Å²	175	135.5 Å²	135.5	94%	0.936	81%	0.81	S	S	*	*			trans	-113.6	106.2	170	-88.8	-14	0	0	0	109
34	D	30.6	Very low	29.2	Very low	146 Å²	146	137 Å²	137	78%	0.781	81%	0.81	S	S	*	*			trans	-82.9	122	168	-175	28.2	0	0	0	108.1
35	D	28.7	Very low	29.1	Very low	143 Å²	143	133.9 Å²	133.9	77%	0.765	81%	0.806	S	S	*	*			trans	-146	86.9	162.7	-151.7	10.2	0	0	0	109.3
36	S	30.3	Very low	29.2	Very low	98 Å²	98	133 Å²	133	69%	0.685	81%	0.806	S	S	*	*			trans	-76.2	114	173.7	58.6	0	0	0	0	111
37	M	30.5	Very low	29	Very low	156 Å²	156	135 Å²	135	77%	0.768	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-86.3	145.9	168	-77.8	-77.8	176.9	0	0	111.5
38	P	29.1	Very low	28.6	Very low	114 Å²	114	137.8 Å²	137.8	74%	0.74	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-78.7	141.2	-177.7	32.1	-32.4	0	0	0	111.8
39	A	28.2	Very low	28.4	Very low	99 Å²	99	136.4 Å²	136.4	82%	0.818	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-75.7	119.7	171.8	0	0	0	0	0	110.7
40	C	26.3	Very low	28.1	Very low	124 Å²	124	134.6 Å²	134.6	84%	0.838	81%	0.805	S	S	*	*			trans	-107.4	112.5	159.3	-77.6	0	0	0	0	108.4
41	T	32.1	Very low	28.1	Very low	126 Å²	126	135.4 Å²	135.4	77%	0.773	79%	0.794	S	S	*	*			trans	-78.1	115.3	168	46.8	0	0	0	0	109
42	D	27.5	Very low	28	Very low	155 Å²	155	134.9 Å²	134.9	83%	0.829	78%	0.779	S	S	*	*			trans	-140.7	97.9	156.3	-89	-35.1	0	0	0	108.2	V44	D42-V44 PolarHBondContact O-N 2.71Å
43	D	30.3	Very low	28.3	Very low	170 Å²	170	138.6 Å²	138.6	91%	0.909	78%	0.777	S	S	*	*			trans	-68.6	101.1	170.1	-83.8	-43.8	0	0	0	109.4
44	V	27.8	Very low	28.9	Very low	121 Å²	121	137 Å²	137	73%	0.733	76%	0.764	S	S	*	*			trans	-93	120.6	161.2	-175.8	0	0	0	0	107.5	D42 I46	D42-V44 PolarHBondContact O-N 2.71Å; V44-I46 PolarHBondContact O-N 2.84Å; V44-I46 VanDerWaalsContact O-N 3.08Å
45	P	27.5	Very low	29.4	Very low	118 Å²	118	133.1 Å²	133.1	77%	0.766	75%	0.745	S	S	*	*			trans	-68	113.7	-179.7	3.4	6.7	0	0	0	109.4	K47	P45-K47 PolarHBondContact O-N 2.65Å
46	I	28.2	Very low	29.9	Very low	161 Å²	161	133.5 Å²	133.5	83%	0.826	74%	0.74	S	S	*	*			trans	-64.6	104.2	167.7	-59.3	172.5	0	0	0	106.6	V44 E48	V44-I46 PolarHBondContact O-N 2.84Å; V44-I46 VanDerWaalsContact O-N 3.08Å; I46-E48 PolarHBondContact O-N 2.7Å; I46-E48 VanDerWaalsContact O-N 3.1Å
47	K	24.6	Very low	30	Very low	192 Å²	192	138.4 Å²	138.4	84%	0.835	75%	0.752	S	S	*	*			trans	-60.4	113.5	167	-93.9	-180	174.3	176	0	108.1	P45 I49	P45-K47 PolarHBondContact O-N 2.65Å; K47-I49 PolarHBondContact O-N 3.2Å
48	E	25.1	Very low	30.4	Very low	184 Å²	184	135.2 Å²	135.2	86%	0.86	76%	0.759	S	S	*	*			trans	-57.2	107.5	168.2	-77.7	-176.1	143.2	0	0	109.4	I46 S50	I46-E48 PolarHBondContact O-N 2.7Å; I46-E48 VanDerWaalsContact O-N 3.1Å; E48-S50 PolarHBondContact O-N 3.4Å
49	I	24.9	Very low	31.2	Very low	144 Å²	144	132.3 Å²	132.3	74%	0.738	74%	0.741	S	S	*	*			trans	-76.6	117.3	164.8	-59.2	169.8	0	0	0	106.2	K47 I51	K47-I49 PolarHBondContact O-N 3.2Å; I49-I51 HydrophobicContact CG2-CG1 4.42Å; I49-I51 PolarHBondContact O-N 2.69Å
50	S	23.3	Very low	32.5	Very low	115 Å²	115	134.5 Å²	134.5	80%	0.804	73%	0.734	S	S	*	*			trans	-68.1	109	171.3	-67	0	0	0	0	109.1	E48	E48-S50 PolarHBondContact O-N 3.4Å
51	I	29.2	Very low	34.4	Very low	124 Å²	124	136.3 Å²	136.3	64%	0.636	73%	0.728	S	S	*	*			trans	-93.7	115.7	-177.8	-56.1	176.7	0	0	0	109.9	I49	I49-I51 HydrophobicContact CG2-CG1 4.42Å; I49-I51 PolarHBondContact O-N 2.69Å
52	T	27.1	Very low	36.4	Very low	95 Å²	95	130.9 Å²	130.9	58%	0.583	70%	0.696	S	S	*	*			trans	-74.2	142.2	177.8	37.3	0	0	0	0	112.8	H54	T52-H54 PolarHBondContact O-N 2.85Å; T52-H54 VanDerWaalsContact O-N 3.16Å
53	H	34	Very low	38.9	Very low	151 Å²	151	125.6 Å²	125.6	70%	0.699	67%	0.668	S	S	*	*			trans	-60.3	110	162.4	-86.3	-90.6	0	0	0	109.3	V55	H53-V55 PolarHBondContact O-N 3.29Å
54	H	42.1	Very low	41.4	Very low	142 Å²	142	119.1 Å²	119.1	66%	0.657	64%	0.635	S	S	*	*			trans	-81.7	67.3	167.9	-70.7	-76.6	0	0	0	110	T52	T52-H54 PolarHBondContact O-N 2.85Å; T52-H54 VanDerWaalsContact O-N 3.16Å
55	V	40.5	Very low	44.1	Very low	63 Å²	63	123.1 Å²	123.1	38%	0.382	64%	0.637	S	S	.	*			trans	-114.6	115.3	163.2	-174.2	0	0	0	0	105.3	H53 E57	H53-V55 PolarHBondContact O-N 3.29Å; V55-E57 PolarHBondContact O-N 3.43Å
56	K	39.2	Very low	47	Very low	152 Å²	152	118.8 Å²	118.8	66%	0.661	61%	0.606	S	S	*	*			trans	-57.7	136.5	174.5	-157.5	-179.8	-175.6	-177.9	0	108.2	G58 S59	K56-G58 PolarHBondContact O-N 3.23Å; K56-G58 VanDerWaalsContact O-N 3.1Å; K56-S59 PolarHBondContact O-N 3.37Å; K56-S59 VanDerWaalsContact O-N 3.17Å
57	E	32.2	Very low	50	Low	201 Å²	201	111.6 Å²	111.6	94%	0.939	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.3	118.8	171.4	-90.9	178.7	149.3	0	0	109.3	V55	V55-E57 PolarHBondContact O-N 3.43Å
58	G	38.3	Very low	53.1	Low	88 Å²	88	106 Å²	106	91%	0.907	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.3	-6.5	179.3	0	0	0	0	0	116.8	K56	K56-G58 PolarHBondContact O-N 3.23Å; K56-G58 VanDerWaalsContact O-N 3.1Å
59	S	46.5	Very low	56.2	Low	53 Å²	53	99.8 Å²	99.8	37%	0.371	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-86.8	128.8	176.2	-52.8	0	0	0	0	112	K56 K61	K56-S59 PolarHBondContact O-N 3.37Å; K56-S59 VanDerWaalsContact O-N 3.17Å; S59-K61 PolarHBondContact O-N 3.15Å
60	E	55.3	Low	59.1	Low	145 Å²	145	95.1 Å²	95.1	68%	0.678	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-59.4	134.8	173	-78.5	-169.2	167.8	0	0	111.3	A62 Q66	E60-A62 PolarHBondContact O-N 2.86Å; E60-Q66 PolarHBondContact OE2-NE2 2.88Å
61	K	67	Low	62.1	Low	163 Å²	163	91.5 Å²	91.5	71%	0.709	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-64.6	123.9	176.1	-172.3	177.9	-179.8	-179.5	0	109.5	S59 D63	S59-K61 PolarHBondContact O-N 3.15Å; K61-D63 PolarHBondContact O-N 3.41Å
62	A	74	Confident	64.8	Low	12 Å²	12	85.7 Å²	85.7	10%	0.099	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-61.4	131.8	178.6	0	0	0	0	0	111.8	E60 Q66 Y134 F136 V387	E60-A62 PolarHBondContact O-N 2.86Å; A62-Q66 VanDerWaalsContact CA-OE1 3.28Å; A62-Y134 HydrophobicContact CB-CD1 4.18Å; A62-F136 HydrophobicContact CB-CB 4.18Å; A62-F136 HydrophobicContact CB-CD1 3.56Å; A62-F136 HydrophobicContact CB-CE1 4.2Å; A62-F136 HydrophobicContact CB-CG 4.06Å; A62-V387 HydrophobicContact CB-CG2 4.42Å
63	D	80.1	Confident	67.5	Low	43 Å²	43	81.8 Å²	81.8	23%	0.23	41%	0.407	C	S	.	.			trans	-135.6	143.5	-175.4	-175.2	-71.6	0	0	0	111	K61 R65 Q66 F67	K61-D63 PolarHBondContact O-N 3.41Å; D63-R65 PolarHBondContact O-N 3.18Å; D63-R65 VanDerWaalsContact OD1-CB 3.22Å; D63-R65 WeakPolarHBondContact OD1-CB 3.34Å; D63-R65 VanDerWaalsContact OD1-CG 3.28Å; D63-R65 WeakPolarHBondContact OD1-CG 3.45Å; D63-R65 IonicContact OD1-CZ 2.81Å; D63-R65 PolarHBondContact OD1-N 2.85Å; D63-R65 IonicContact OD1-NE 3.25Å; D63-R65 PolarHBondContact OD1-NE 3.03Å; D63-R65 IonicContact OD1-NH2 3.59Å; D63-R65 IonicContact OD2-CZ 3.61Å; D63-R65 IonicContact OD2-NE 3.47Å; D63-R65 PolarHBondContact OD2-NE 2.76Å; D63-R65 IonicContact OD2-NH2 2.86Å; D63-R65 PolarHBondContact OD2-NH2 3.33Å; D63-Q66 HydrophobicContact CB-CG 4.3Å; D63-Q66 WeakPolarHBondContact O-CB 3.04Å; D63-Q66 PolarHBondContact O-N 2.89Å; D63-F67 WeakPolarHBondContact O-CD2 3.39Å
64	P	81.8	Confident	69.9	Low	35 Å²	35	75.2 Å²	75.2	23%	0.227	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-51.9	-32.2	177.5	-19	22.3	0	0	0	114.4	Q66 F67 F136 T138 Y143	P64-Q66 PolarHBondContact O-N 3.32Å; P64-F67 PolarHBondContact O-N 2.83Å; P64-F67 VanDerWaalsContact O-N 3.12Å; P64-F136 HydrophobicContact CB-CE2 4.28Å; P64-F136 VanDerWaalsContact CD-CE2 3.45Å; P64-F136 HydrophobicContact CG-CD2 4.45Å; P64-F136 HydrophobicContact CG-CE2 3.72Å; P64-T138 HydrophobicContact CG-CG2 3.85Å; P64-Y143 HydrophobicContact CB-CE1 4.36Å; P64-Y143 HydrophobicContact CG-CE1 4.29Å; P64-Y143 HydrophobicContact CG-CE2 4.12Å
65	R	85.5	Confident	71.6	Confident	205 Å²	205	73.1 Å²	73.1	77%	0.774	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-67	-17.5	-179.4	-65.4	171.9	-71.7	173.2	-0.9	113.5	D63 F67	D63-R65 PolarHBondContact O-N 3.18Å; D63-R65 VanDerWaalsContact OD1-CB 3.22Å; D63-R65 WeakPolarHBondContact OD1-CB 3.34Å; D63-R65 VanDerWaalsContact OD1-CG 3.28Å; D63-R65 WeakPolarHBondContact OD1-CG 3.45Å; D63-R65 IonicContact OD1-CZ 2.81Å; D63-R65 PolarHBondContact OD1-N 2.85Å; D63-R65 IonicContact OD1-NE 3.25Å; D63-R65 PolarHBondContact OD1-NE 3.03Å; D63-R65 IonicContact OD1-NH2 3.59Å; D63-R65 IonicContact OD2-CZ 3.61Å; D63-R65 IonicContact OD2-NE 3.47Å; D63-R65 PolarHBondContact OD2-NE 2.76Å; D63-R65 IonicContact OD2-NH2 2.86Å; D63-R65 PolarHBondContact OD2-NH2 3.33Å; R65-F67 PolarHBondContact O-N 3.26Å
66	Q	88.1	Confident	72.9	Confident	26 Å²	26	72.5 Å²	72.5	12%	0.121	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-77.5	-2.7	175.6	-60.8	175.3	-38.8	0	0	112.6	E60 A62 D63 P64 K86 V87 T88	E60-Q66 PolarHBondContact OE2-NE2 2.88Å; A62-Q66 VanDerWaalsContact CA-OE1 3.28Å; D63-Q66 HydrophobicContact CB-CG 4.3Å; D63-Q66 WeakPolarHBondContact O-CB 3.04Å; D63-Q66 PolarHBondContact O-N 2.89Å; P64-Q66 PolarHBondContact O-N 3.32Å; Q66-K86 WeakPolarHBondContact O-CA 3.48Å; Q66-V87 VanDerWaalsContact O-CG2 3.31Å; Q66-V87 WeakPolarHBondContact O-CG2 3.38Å; Q66-V87 PolarHBondContact O-N 2.96Å; Q66-T88 WeakPolarHBondContact CB-OG1 3.33Å; Q66-T88 WeakPolarHBondContact CG-OG1 3.22Å
67	F	91.3	Very high	73.9	Confident	10 Å²	10	69.5 Å²	69.5	4%	0.044	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	114.2	-176	-61.5	-84.8	0	0	0	111.1	D63 P64 R65 V84 R85 K86 Y96 M98 Y134 F136 I145	D63-F67 WeakPolarHBondContact O-CD2 3.39Å; P64-F67 PolarHBondContact O-N 2.83Å; P64-F67 VanDerWaalsContact O-N 3.12Å; R65-F67 PolarHBondContact O-N 3.26Å; F67-V84 HydrophobicContact CB-CB 4.1Å; F67-V84 HydrophobicContact CB-CG1 4.47Å; F67-V84 HydrophobicContact CB-CG2 4.26Å; F67-V84 HydrophobicContact CD1-CG2 3.84Å; F67-V84 HydrophobicContact CG-CG2 4.4Å; F67-R85 CarbonylContact C-O 3.5Å; F67-R85 WeakPolarHBondContact CA-O 3.5Å; F67-K86 HydrophobicContact CD1-CB 4.38Å; F67-K86 HydrophobicContact CD1-CG 4.28Å; F67-K86 HydrophobicContact CE1-CB 4.32Å; F67-K86 HydrophobicContact CE1-CD 4.36Å; F67-K86 HydrophobicContact CE1-CG 3.98Å; F67-Y96 HydrophobicContact CE1-CD2 4.3Å; F67-M98 HydrophobicContact CB-CE 3.37Å; F67-M98 HydrophobicContact CD1-CE 4.32Å; F67-M98 HydrophobicContact CD2-CE 3.84Å; F67-M98 HydrophobicContact CG-CE 3.59Å; F67-Y134 HydrophobicContact CE1-CD2 4.34Å; F67-Y134 AromaticContact CZ-CD2 3.92Å; F67-Y134 HydrophobicContact CZ-CD2 3.92Å; F67-Y134 HydrophobicContact CZ-CE2 4.32Å; F67-Y134 HydrophobicContact CZ-CG 4.17Å; F67-F136 HydrophobicContact CD2-CE1 4.25Å; F67-F136 HydrophobicContact CD2-CZ 4.07Å; F67-F136 AromaticContact CE2-CE1 3.66Å; F67-F136 HydrophobicContact CE2-CE1 3.66Å; F67-F136 AromaticContact CE2-CZ 3.95Å; F67-F136 HydrophobicContact CE2-CZ 3.95Å; F67-F136 HydrophobicContact CZ-CE1 4.37Å; F67-I145 HydrophobicContact CD1-CD1 4.42Å; F67-I145 HydrophobicContact CE1-CD1 4.25Å; F67-I145 HydrophobicContact CE1-CG1 4.14Å; F67-I145 HydrophobicContact CE1-CG2 3.91Å; F67-I145 HydrophobicContact CE2-CD1 4.41Å; F67-I145 HydrophobicContact CE2-CG1 4.32Å; F67-I145 HydrophobicContact CZ-CD1 4.24Å; F67-I145 HydrophobicContact CZ-CG1 3.88Å; F67-I145 HydrophobicContact CZ-CG2 4.35Å
68	E	90.6	Very high	75.4	Confident	74 Å²	74	63.5 Å²	63.5	35%	0.346	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	119.8	174	-176.6	-168.5	-179.2	0	0	110.1	R70 V84 R85 V87	E68-R70 VanDerWaalsContact CD-CZ 3.41Å; E68-R70 PolarHBondContact O-N 2.89Å; E68-R70 IonicContact OE1-CZ 2.65Å; E68-R70 VanDerWaalsContact OE1-CZ 3.25Å; E68-R70 IonicContact OE1-NE 3.67Å; E68-R70 IonicContact OE1-NH1 2.86Å; E68-R70 PolarHBondContact OE1-NH1 2.93Å; E68-R70 IonicContact OE1-NH2 2.74Å; E68-R70 IonicContact OE2-CZ 3.52Å; E68-R70 IonicContact OE2-NE 3.62Å; E68-R70 IonicContact OE2-NH1 3.92Å; E68-R70 IonicContact OE2-NH2 3.94Å; E68-R70 PolarHBondContact OE2-NH2 3.44Å; E68-V84 CarbonylContact O-C 3.52Å; E68-V84 VanDerWaalsContact O-CA 3.24Å; E68-V84 WeakPolarHBondContact O-CA 3.42Å; E68-R85 HydrophobicContact CB-CB 4.46Å; E68-R85 PolarHBondContact N-O 2.84Å; E68-R85 PolarHBondContact O-N 2.82Å; E68-V87 HydrophobicContact CB-CG1 3.76Å
69	L	89	Confident	77.2	Confident	54 Å²	54	60.2 Å²	60.2	28%	0.283	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	126.4	176.4	-63.5	165	0	0	0	110.9	F82 V84 M98 P365 D367	L69-F82 HydrophobicContact CD2-CB 3.65Å; L69-F82 HydrophobicContact CD2-CD1 3.87Å; L69-F82 HydrophobicContact CD2-CD2 4.07Å; L69-F82 HydrophobicContact CD2-CE1 4.5Å; L69-F82 HydrophobicContact CD2-CG 3.61Å; L69-V84 HydrophobicContact CD2-CG1 3.69Å; L69-M98 HydrophobicContact CD2-SD 4.26Å; L69-P365 HydrophobicContact CB-CB 4.15Å; L69-D367 HydrophobicContact CD1-CB 3.95Å
70	R	85.7	Confident	79.1	Confident	46 Å²	46	60.4 Å²	60.4	17%	0.174	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-55.1	-179.6	-65.5	-62.8	-160.1	-172	-1.5	113.3	E68 L83 R85 P365	E68-R70 VanDerWaalsContact CD-CZ 3.41Å; E68-R70 PolarHBondContact O-N 2.89Å; E68-R70 IonicContact OE1-CZ 2.65Å; E68-R70 VanDerWaalsContact OE1-CZ 3.25Å; E68-R70 IonicContact OE1-NE 3.67Å; E68-R70 IonicContact OE1-NH1 2.86Å; E68-R70 PolarHBondContact OE1-NH1 2.93Å; E68-R70 IonicContact OE1-NH2 2.74Å; E68-R70 IonicContact OE2-CZ 3.52Å; E68-R70 IonicContact OE2-NE 3.62Å; E68-R70 IonicContact OE2-NH1 3.92Å; E68-R70 IonicContact OE2-NH2 3.94Å; E68-R70 PolarHBondContact OE2-NH2 3.44Å; R70-L83 HydrophobicContact CB-CB 4.28Å; R70-L83 HydrophobicContact CB-CD2 4.17Å; R70-L83 HydrophobicContact CB-CG 4.02Å; R70-L83 WeakPolarHBondContact CB-O 3.38Å; R70-L83 PolarHBondContact N-O 3.28Å; R70-R85 HydrophobicContact CG-CB 4.46Å; R70-R85 VanDerWaalsContact NH2-NE 3.15Å; R70-P365 WeakPolarHBondContact O-CG 3.36Å
71	K	85.7	Confident	80.7	Confident	39 Å²	39	55.6 Å²	55.6	17%	0.17	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	156.4	-175.6	-68.6	179.5	177.5	169.1	0	110.6	F82 L83 D351 T353	K71-F82 CarbonylContact O-C 3.59Å; K71-F82 VanDerWaalsContact O-CA 3.26Å; K71-F82 WeakPolarHBondContact O-CA 3.11Å; K71-L83 HydrophobicContact CB-CB 4.19Å; K71-L83 PolarHBondContact N-O 3.1Å; K71-L83 PolarHBondContact O-N 3.38Å; K71-D351 PolarHBondContact NZ-O 3.31Å; K71-T353 HydrophobicContact CD-CG2 3.58Å; K71-T353 WeakPolarHBondContact CD-OG1 3.41Å; K71-T353 PolarHBondContact NZ-OG1 3.31Å; K71-T353 VanDerWaalsContact NZ-OG1 3.08Å
72	V	86.5	Confident	81.9	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	119.1	167.3	-173	0	0	0	0	107.7	F82 F360 T361 K363	V72-F82 HydrophobicContact CG2-CD1 3.91Å; V72-F82 HydrophobicContact CG2-CE1 3.79Å; V72-F360 WeakPolarHBondContact CB-O 3.42Å; V72-F360 HydrophobicContact CG1-CB 4.34Å; V72-F360 CarbonylContact O-C 3.53Å; V72-F360 WeakPolarHBondContact O-CB 3.45Å; V72-T361 WeakPolarHBondContact O-CA 3.42Å; V72-T361 PolarHBondContact O-N 3.21Å; V72-K363 HydrophobicContact CB-CB 4.47Å; V72-K363 HydrophobicContact CG2-CB 4.13Å
73	L	85.2	Confident	82.7	Confident	13 Å²	13	47.2 Å²	47.2	7%	0.068	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-29.8	-180	-62.9	179.4	0	0	0	112	V81 L83 A97 F148 T353 F356	L73-V81 HydrophobicContact CB-CB 4.47Å; L73-V81 HydrophobicContact CB-CG1 4.21Å; L73-V81 HydrophobicContact CD1-CG1 4.46Å; L73-V81 PolarHBondContact N-O 2.94Å; L73-L83 HydrophobicContact CD1-CB 3.96Å; L73-L83 HydrophobicContact CD2-CB 3.98Å; L73-L83 HydrophobicContact CG-CB 3.93Å; L73-A97 HydrophobicContact CD1-CB 4.36Å; L73-F148 HydrophobicContact CD1-CD2 3.83Å; L73-F148 HydrophobicContact CD1-CE2 3.76Å; L73-F148 HydrophobicContact CD2-CE2 4.13Å; L73-T353 HydrophobicContact CD2-CG2 3.63Å; L73-F356 HydrophobicContact CB-CD1 3.89Å; L73-F356 HydrophobicContact CB-CE1 3.93Å; L73-F356 HydrophobicContact CD1-CE1 4.1Å; L73-F356 HydrophobicContact CD1-CZ 4.26Å; L73-F356 HydrophobicContact CD2-CD1 3.81Å; L73-F356 HydrophobicContact CD2-CD2 4.1Å; L73-F356 HydrophobicContact CD2-CE1 3.88Å; L73-F356 HydrophobicContact CD2-CE2 4.16Å; L73-F356 HydrophobicContact CD2-CG 3.92Å; L73-F356 HydrophobicContact CD2-CZ 4.05Å; L73-F356 HydrophobicContact CG-CD1 4.33Å; L73-F356 HydrophobicContact CG-CE1 4.18Å
74	G	82.6	Confident	83.4	Confident	14 Å²	14	45.2 Å²	45.2	14%	0.144	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	163.9	-179.5	0	0	0	0	0	112.9	V81	G74-V81 PolarHBondContact N-O 2.88Å; G74-V81 PolarHBondContact O-N 2.81Å
75	Q	78.1	Confident	83.9	Confident	98 Å²	98	46.7 Å²	46.7	46%	0.458	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	120.6	176.2	-180	175.9	-13.8	0	0	109.8	K80 F360	Q75-K80 HydrophobicContact CB-CG 4.41Å; Q75-K80 HydrophobicContact CG-CG 4.05Å; Q75-F360 HydrophobicContact CB-CD1 4.07Å; Q75-F360 HydrophobicContact CB-CE1 3.86Å
76	G	67.7	Low	84.2	Confident	49 Å²	49	37.5 Å²	37.5	51%	0.505	20%	0.204	S	C	.	.			trans	-103.4	-177.4	172.2	0	0	0	0	0	112	F78 G79	G76-F78 VanDerWaalsContact C-N 3.29Å; G76-F78 PolarHBondContact O-N 3.46Å; G76-G79 PolarHBondContact N-O 2.62Å
77	S	60.4	Low	84.4	Confident	90 Å²	90	39.2 Å²	39.2	63%	0.629	22%	0.216	S	C	*	.	S	Bend	trans	-61.9	-32.4	178.6	46.3	0	0	0	0	113.7
78	F	64.8	Low	84.1	Confident	75 Å²	75	41.4 Å²	41.4	33%	0.329	23%	0.23	S	C	.	.	S	Bend	trans	-114.5	-2.8	-171.6	-48.4	-65.2	0	0	0	114.2	G76 L101 K102 L106	G76-F78 VanDerWaalsContact C-N 3.29Å; G76-F78 PolarHBondContact O-N 3.46Å; F78-L101 WeakPolarHBondContact O-CA 3.36Å; F78-K102 PolarHBondContact O-N 3.25Å; F78-L106 HydrophobicContact CB-CD2 3.85Å; F78-L106 HydrophobicContact CG-CD2 4.19Å
79	G	74.9	Confident	83.8	Confident	18 Å²	18	39.8 Å²	39.8	19%	0.186	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.1	171.2	-171.5	0	0	0	0	0	115.4	G76 V100	G76-G79 PolarHBondContact N-O 2.62Å; G79-V100 CarbonylContact C-O 3.56Å; G79-V100 WeakPolarHBondContact CA-O 3.38Å
80	K	86.2	Confident	83.3	Confident	57 Å²	57	43.6 Å²	43.6	25%	0.248	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146.6	176.3	-72.1	-178.6	179	-178.3	0	109.6	Q75 F82 V100	Q75-K80 HydrophobicContact CB-CG 4.41Å; Q75-K80 HydrophobicContact CG-CG 4.05Å; K80-F82 HydrophobicContact CB-CD2 4.23Å; K80-F82 HydrophobicContact CB-CE2 3.48Å; K80-F82 VanDerWaalsContact CB-CE2 3.48Å; K80-F82 HydrophobicContact CB-CZ 3.67Å; K80-F82 HydrophobicContact CD-CE1 4.38Å; K80-F82 HydrophobicContact CD-CE2 4.34Å; K80-F82 HydrophobicContact CD-CZ 3.69Å; K80-F82 HydrophobicContact CG-CZ 4.35Å; K80-V100 PolarHBondContact N-O 3.41Å; K80-V100 PolarHBondContact O-N 2.96Å
81	V	90	Very high	83.3	Confident	44 Å²	44	42.8 Å²	42.8	27%	0.267	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.1	172.7	-173	0	0	0	0	108.1	L73 G74 A97 M98 K99	L73-V81 HydrophobicContact CB-CB 4.47Å; L73-V81 HydrophobicContact CB-CG1 4.21Å; L73-V81 HydrophobicContact CD1-CG1 4.46Å; L73-V81 PolarHBondContact N-O 2.94Å; G74-V81 PolarHBondContact N-O 2.88Å; G74-V81 PolarHBondContact O-N 2.81Å; V81-A97 HydrophobicContact CG1-CB 4.31Å; V81-M98 CarbonylContact C-O 3.54Å; V81-M98 WeakPolarHBondContact CA-O 3.44Å; V81-K99 HydrophobicContact CG2-CB 4.36Å; V81-K99 HydrophobicContact CG2-CG 4.24Å
82	F	91.1	Very high	83.5	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	144.4	-179.7	-58.4	-90.2	0	0	0	110.6	L69 K71 V72 K80 V84 A97 M98 V100	L69-F82 HydrophobicContact CD2-CB 3.65Å; L69-F82 HydrophobicContact CD2-CD1 3.87Å; L69-F82 HydrophobicContact CD2-CD2 4.07Å; L69-F82 HydrophobicContact CD2-CE1 4.5Å; L69-F82 HydrophobicContact CD2-CG 3.61Å; K71-F82 CarbonylContact O-C 3.59Å; K71-F82 VanDerWaalsContact O-CA 3.26Å; K71-F82 WeakPolarHBondContact O-CA 3.11Å; V72-F82 HydrophobicContact CG2-CD1 3.91Å; V72-F82 HydrophobicContact CG2-CE1 3.79Å; K80-F82 HydrophobicContact CB-CD2 4.23Å; K80-F82 HydrophobicContact CB-CE2 3.48Å; K80-F82 VanDerWaalsContact CB-CE2 3.48Å; K80-F82 HydrophobicContact CB-CZ 3.67Å; K80-F82 HydrophobicContact CD-CE1 4.38Å; K80-F82 HydrophobicContact CD-CE2 4.34Å; K80-F82 HydrophobicContact CD-CZ 3.69Å; K80-F82 HydrophobicContact CG-CZ 4.35Å; F82-V84 HydrophobicContact CB-CG1 4.07Å; F82-A97 CarbonylContact O-C 3.44Å; F82-A97 WeakPolarHBondContact O-CA 3.34Å; F82-M98 HydrophobicContact CB-CB 4.49Å; F82-M98 PolarHBondContact N-O 2.83Å; F82-M98 PolarHBondContact O-N 2.98Å; F82-V100 HydrophobicContact CD2-CG2 3.78Å; F82-V100 HydrophobicContact CE2-CB 4.18Å; F82-V100 HydrophobicContact CE2-CG2 3.77Å
83	L	92.4	Very high	83.4	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	125.7	158.8	178	58.8	0	0	0	107.3	R70 K71 L73 L95 F148 D351 T353	R70-L83 HydrophobicContact CB-CB 4.28Å; R70-L83 HydrophobicContact CB-CD2 4.17Å; R70-L83 HydrophobicContact CB-CG 4.02Å; R70-L83 WeakPolarHBondContact CB-O 3.38Å; R70-L83 PolarHBondContact N-O 3.28Å; K71-L83 HydrophobicContact CB-CB 4.19Å; K71-L83 PolarHBondContact N-O 3.1Å; K71-L83 PolarHBondContact O-N 3.38Å; L73-L83 HydrophobicContact CD1-CB 3.96Å; L73-L83 HydrophobicContact CD2-CB 3.98Å; L73-L83 HydrophobicContact CG-CB 3.93Å; L83-L95 HydrophobicContact CD1-CB 4.17Å; L83-L95 HydrophobicContact CD1-CD2 4.2Å; L83-F148 HydrophobicContact CD1-CB 4.37Å; L83-F148 HydrophobicContact CD1-CD1 3.72Å; L83-F148 HydrophobicContact CD1-CD2 3.65Å; L83-F148 HydrophobicContact CD1-CE1 3.83Å; L83-F148 HydrophobicContact CD1-CE2 3.78Å; L83-F148 HydrophobicContact CD1-CG 3.63Å; L83-F148 HydrophobicContact CD1-CZ 3.87Å; L83-F148 HydrophobicContact CD2-CE1 4.48Å; L83-F148 HydrophobicContact CD2-CZ 4.2Å; L83-D351 HydrophobicContact CD2-CB 4.03Å; L83-T353 HydrophobicContact CD2-CG2 4.2Å
84	V	93.4	Very high	83.7	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.7	178.4	-60.4	0	0	0	0	111.3	F67 E68 L69 F82 L95 Y96 M98	F67-V84 HydrophobicContact CB-CB 4.1Å; F67-V84 HydrophobicContact CB-CG1 4.47Å; F67-V84 HydrophobicContact CB-CG2 4.26Å; F67-V84 HydrophobicContact CD1-CG2 3.84Å; F67-V84 HydrophobicContact CG-CG2 4.4Å; E68-V84 CarbonylContact O-C 3.52Å; E68-V84 VanDerWaalsContact O-CA 3.24Å; E68-V84 WeakPolarHBondContact O-CA 3.42Å; L69-V84 HydrophobicContact CD2-CG1 3.69Å; F82-V84 HydrophobicContact CB-CG1 4.07Å; V84-L95 WeakPolarHBondContact O-CA 3.11Å; V84-Y96 PolarHBondContact N-O 2.58Å; V84-Y96 PolarHBondContact O-N 3.28Å; V84-M98 HydrophobicContact CB-CB 4.38Å; V84-M98 HydrophobicContact CB-CE 4.5Å; V84-M98 HydrophobicContact CG1-CB 3.6Å; V84-M98 HydrophobicContact CG1-CE 3.93Å; V84-M98 HydrophobicContact CG1-CG 4.39Å; V84-M98 HydrophobicContact CG1-SD 3.97Å; V84-M98 HydrophobicContact CG2-CB 3.83Å; V84-M98 HydrophobicContact CG2-CE 4.32Å
85	R	92.9	Very high	84.2	Confident	67 Å²	67	50.5 Å²	50.5	25%	0.253	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.1	170.1	-175.4	177.7	-64.5	-118.3	6.9	109.2	F67 E68 R70 G93 Q94 L95	F67-R85 CarbonylContact C-O 3.5Å; F67-R85 WeakPolarHBondContact CA-O 3.5Å; E68-R85 HydrophobicContact CB-CB 4.46Å; E68-R85 PolarHBondContact N-O 2.84Å; E68-R85 PolarHBondContact O-N 2.82Å; R70-R85 HydrophobicContact CG-CB 4.46Å; R70-R85 VanDerWaalsContact NH2-NE 3.15Å; R85-G93 PolarHBondContact NH1-O 3.16Å; R85-Q94 WeakPolarHBondContact CA-O 3.35Å; R85-L95 HydrophobicContact CB-CD2 3.92Å; R85-L95 HydrophobicContact CG-CD2 4.29Å
86	K	92.8	Very high	85	Confident	12 Å²	12	46.2 Å²	46.2	5%	0.052	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	134.2	173.3	-157.8	-178.7	-175.2	-169	0	110.1	Q66 F67 T88 D91 G93 Q94 Y96 Y134	Q66-K86 WeakPolarHBondContact O-CA 3.48Å; F67-K86 HydrophobicContact CD1-CB 4.38Å; F67-K86 HydrophobicContact CD1-CG 4.28Å; F67-K86 HydrophobicContact CE1-CB 4.32Å; F67-K86 HydrophobicContact CE1-CD 4.36Å; F67-K86 HydrophobicContact CE1-CG 3.98Å; K86-T88 WeakPolarHBondContact CD-O 3.26Å; K86-T88 WeakPolarHBondContact CE-O 3.44Å; K86-T88 WeakPolarHBondContact CG-O 3.43Å; K86-D91 HydrophobicContact CD-CB 4.45Å; K86-D91 WeakPolarHBondContact CD-OD1 3.38Å; K86-D91 WeakPolarHBondContact CD-OD2 3.3Å; K86-D91 WeakPolarHBondContact CE-OD1 3.18Å; K86-D91 VanDerWaalsContact NZ-CG 3.32Å; K86-D91 IonicContact NZ-OD1 3.6Å; K86-D91 PolarHBondContact NZ-OD1 3.32Å; K86-D91 IonicContact NZ-OD2 3.3Å; K86-D91 PolarHBondContact NZ-OD2 3.41Å; K86-G93 PolarHBondContact O-N 3.39Å; K86-Q94 PolarHBondContact N-O 3.02Å; K86-Y96 HydrophobicContact CB-CD2 4.39Å; K86-Y96 HydrophobicContact CB-CE2 4.09Å; K86-Y96 HydrophobicContact CD-CE2 4.47Å; K86-Y134 PolarHBondContact NZ-OH 2.65Å
87	V	90.8	Very high	86.2	Confident	62 Å²	62	44.4 Å²	44.4	38%	0.376	27%	0.267	S	S	.	.			trans	-112.6	-3.6	-175.4	-65.1	0	0	0	0	114.3	Q66 E68	Q66-V87 VanDerWaalsContact O-CG2 3.31Å; Q66-V87 WeakPolarHBondContact O-CG2 3.38Å; Q66-V87 PolarHBondContact O-N 2.96Å; E68-V87 HydrophobicContact CB-CG1 3.76Å
88	T	85.9	Confident	87.8	Confident	55 Å²	55	40.4 Å²	40.4	34%	0.337	24%	0.238	S	C	.	.	S	Bend	trans	-143.7	159.6	-178.7	54.2	0	0	0	0	110.6	Q66 K86 T92	Q66-T88 WeakPolarHBondContact CB-OG1 3.33Å; Q66-T88 WeakPolarHBondContact CG-OG1 3.22Å; K86-T88 WeakPolarHBondContact CD-O 3.26Å; K86-T88 WeakPolarHBondContact CE-O 3.44Å; K86-T88 WeakPolarHBondContact CG-O 3.43Å; T88-T92 VanDerWaalsContact CA-OG1 3.29Å; T88-T92 WeakPolarHBondContact CA-OG1 3.24Å; T88-T92 PolarHBondContact N-OG1 3.16Å; T88-T92 PolarHBondContact O-OG1 2.94Å
89	G	82.9	Confident	89.1	Confident	40 Å²	40	38.6 Å²	38.6	41%	0.412	23%	0.231	S	C	.	.	S	Bend	trans	85.3	-176.3	178.4	0	0	0	0	0	114.7	D91 T92	G89-D91 VanDerWaalsContact C-N 3.32Å; G89-D91 PolarHBondContact O-N 3.17Å; G89-T92 PolarHBondContact N-OG1 2.54Å; G89-T92 WeakPolarHBondContact O-CB 3.13Å; G89-T92 PolarHBondContact O-N 2.72Å; G89-T92 PolarHBondContact O-OG1 2.77Å
90	P	78.6	Confident	89.8	Confident	135 Å²	135	38 Å²	38	88%	0.877	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-29	-171.3	24.4	-33.5	0	0	0	114.5
91	D	86.3	Confident	89.8	Confident	28 Å²	28	35.7 Å²	35.7	15%	0.15	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	28.3	177.3	56.5	-32.1	0	0	0	112.1	K86 G89 G93 Q94 Y96 Y134	K86-D91 HydrophobicContact CD-CB 4.45Å; K86-D91 WeakPolarHBondContact CD-OD1 3.38Å; K86-D91 WeakPolarHBondContact CD-OD2 3.3Å; K86-D91 WeakPolarHBondContact CE-OD1 3.18Å; K86-D91 VanDerWaalsContact NZ-CG 3.32Å; K86-D91 IonicContact NZ-OD1 3.6Å; K86-D91 PolarHBondContact NZ-OD1 3.32Å; K86-D91 IonicContact NZ-OD2 3.3Å; K86-D91 PolarHBondContact NZ-OD2 3.41Å; G89-D91 VanDerWaalsContact C-N 3.32Å; G89-D91 PolarHBondContact O-N 3.17Å; D91-G93 PolarHBondContact O-N 2.87Å; D91-Q94 HydrophobicContact CB-CB 4.36Å; D91-Q94 WeakPolarHBondContact O-CB 3.48Å; D91-Q94 PolarHBondContact O-N 3.39Å; D91-Y96 PolarHBondContact OD2-OH 3.38Å; D91-Y134 VanDerWaalsContact CG-OH 3.23Å; D91-Y134 PolarHBondContact OD1-OH 3.47Å; D91-Y134 PolarHBondContact OD2-OH 2.81Å
92	T	89.4	Confident	89.5	Confident	81 Å²	81	37.4 Å²	37.4	50%	0.497	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	133.8	174.1	-66.5	0	0	0	0	110.9	T88 G89 Q94	T88-T92 VanDerWaalsContact CA-OG1 3.29Å; T88-T92 WeakPolarHBondContact CA-OG1 3.24Å; T88-T92 PolarHBondContact N-OG1 3.16Å; T88-T92 PolarHBondContact O-OG1 2.94Å; G89-T92 PolarHBondContact N-OG1 2.54Å; G89-T92 WeakPolarHBondContact O-CB 3.13Å; G89-T92 PolarHBondContact O-N 2.72Å; G89-T92 PolarHBondContact O-OG1 2.77Å; T92-Q94 VanDerWaalsContact C-N 3.34Å
93	G	85.8	Confident	89.1	Confident	30 Å²	30	37.4 Å²	37.4	31%	0.309	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.5	-15.8	-178.8	0	0	0	0	0	114.3	R85 K86 D91	R85-G93 PolarHBondContact NH1-O 3.16Å; K86-G93 PolarHBondContact O-N 3.39Å; D91-G93 PolarHBondContact O-N 2.87Å
94	Q	91.5	Very high	88.3	Confident	105 Å²	105	40.1 Å²	40.1	49%	0.491	24%	0.24	S	C	.	.			trans	-66.7	142.6	179.2	-173.7	57.9	33.8	0	0	111.7	R85 K86 D91 T92 Y96	R85-Q94 WeakPolarHBondContact CA-O 3.35Å; K86-Q94 PolarHBondContact N-O 3.02Å; D91-Q94 HydrophobicContact CB-CB 4.36Å; D91-Q94 WeakPolarHBondContact O-CB 3.48Å; D91-Q94 PolarHBondContact O-N 3.39Å; T92-Q94 VanDerWaalsContact C-N 3.34Å; Q94-Y96 HydrophobicContact CB-CE2 3.75Å; Q94-Y96 HydrophobicContact CG-CD2 4.37Å; Q94-Y96 HydrophobicContact CG-CE1 4.06Å; Q94-Y96 HydrophobicContact CG-CE2 3.62Å; Q94-Y96 VanDerWaalsContact CG-CZ 3.43Å; Q94-Y96 WeakPolarHBondContact CG-OH 3.48Å
95	L	92.3	Very high	87.4	Confident	14 Å²	14	43.4 Å²	43.4	7%	0.073	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	138.6	177.3	-67.1	175	0	0	0	111.2	L83 V84 R85 F148 P350 D351	L83-L95 HydrophobicContact CD1-CB 4.17Å; L83-L95 HydrophobicContact CD1-CD2 4.2Å; V84-L95 WeakPolarHBondContact O-CA 3.11Å; R85-L95 HydrophobicContact CB-CD2 3.92Å; R85-L95 HydrophobicContact CG-CD2 4.29Å; L95-F148 HydrophobicContact CB-CD1 4.13Å; L95-F148 HydrophobicContact CD1-CD1 4.46Å; L95-P350 HydrophobicContact CD1-CB 4.03Å; L95-P350 WeakPolarHBondContact CD1-O 3.28Å; L95-D351 HydrophobicContact CD1-CB 4.12Å
96	Y	94.7	Very high	86.5	Confident	9 Å²	9	40.4 Å²	40.4	4%	0.035	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	160.1	179.2	-63.2	-76.3	0	0	0	112	F67 V84 K86 D91 Q94 H133 Y134 I145	F67-Y96 HydrophobicContact CE1-CD2 4.3Å; V84-Y96 PolarHBondContact N-O 2.58Å; V84-Y96 PolarHBondContact O-N 3.28Å; K86-Y96 HydrophobicContact CB-CD2 4.39Å; K86-Y96 HydrophobicContact CB-CE2 4.09Å; K86-Y96 HydrophobicContact CD-CE2 4.47Å; D91-Y96 PolarHBondContact OD2-OH 3.38Å; Q94-Y96 HydrophobicContact CB-CE2 3.75Å; Q94-Y96 HydrophobicContact CG-CD2 4.37Å; Q94-Y96 HydrophobicContact CG-CE1 4.06Å; Q94-Y96 HydrophobicContact CG-CE2 3.62Å; Q94-Y96 VanDerWaalsContact CG-CZ 3.43Å; Q94-Y96 WeakPolarHBondContact CG-OH 3.48Å; Y96-H133 HydrophobicContact CD1-CB 4.48Å; Y96-H133 AromaticContact CD1-CD2 3.89Å; Y96-H133 HydrophobicContact CE1-CB 4.04Å; Y96-H133 AromaticContact CE1-CD2 3.63Å; Y96-H133 AromaticContact CE1-CE1 3.89Å; Y96-H133 AromaticContact CE1-CG 3.52Å; Y96-H133 AromaticContact CE1-ND1 3.7Å; Y96-H133 AromaticContact CE1-NE2 3.85Å; Y96-Y134 HydrophobicContact CE2-CE2 4.47Å; Y96-I145 VanDerWaalsContact CB-CG2 3.46Å; Y96-I145 HydrophobicContact CD1-CG2 3.89Å; Y96-I145 HydrophobicContact CD2-CG2 4.08Å; Y96-I145 HydrophobicContact CG-CG2 3.54Å
97	A	93.9	Very high	85.8	Confident	11 Å²	11	46.7 Å²	46.7	9%	0.091	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	116.1	165.6	0	0	0	0	0	109.6	L73 V81 F82 L146	L73-A97 HydrophobicContact CD1-CB 4.36Å; V81-A97 HydrophobicContact CG1-CB 4.31Å; F82-A97 CarbonylContact O-C 3.44Å; F82-A97 WeakPolarHBondContact O-CA 3.34Å; A97-L146 HydrophobicContact CB-CB 4.45Å; A97-L146 PolarHBondContact N-O 3.24Å; A97-L146 PolarHBondContact O-N 2.62Å
98	M	93.6	Very high	85	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.025	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	109.4	176.9	177.1	-172.5	-76.8	0	0	110.3	F67 L69 V81 F82 V84 V100 F136 Y143 L144 I145	F67-M98 HydrophobicContact CB-CE 3.37Å; F67-M98 HydrophobicContact CD1-CE 4.32Å; F67-M98 HydrophobicContact CD2-CE 3.84Å; F67-M98 HydrophobicContact CG-CE 3.59Å; L69-M98 HydrophobicContact CD2-SD 4.26Å; V81-M98 CarbonylContact C-O 3.54Å; V81-M98 WeakPolarHBondContact CA-O 3.44Å; F82-M98 HydrophobicContact CB-CB 4.49Å; F82-M98 PolarHBondContact N-O 2.83Å; F82-M98 PolarHBondContact O-N 2.98Å; V84-M98 HydrophobicContact CB-CB 4.38Å; V84-M98 HydrophobicContact CB-CE 4.5Å; V84-M98 HydrophobicContact CG1-CB 3.6Å; V84-M98 HydrophobicContact CG1-CE 3.93Å; V84-M98 HydrophobicContact CG1-CG 4.39Å; V84-M98 HydrophobicContact CG1-SD 3.97Å; V84-M98 HydrophobicContact CG2-CB 3.83Å; V84-M98 HydrophobicContact CG2-CE 4.32Å; M98-V100 HydrophobicContact CG-CG2 3.68Å; M98-V100 HydrophobicContact SD-CG2 3.77Å; M98-F136 HydrophobicContact CE-CZ 4.34Å; M98-Y143 HydrophobicContact CE-CD1 4.45Å; M98-Y143 HydrophobicContact CG-CD1 4.23Å; M98-Y143 HydrophobicContact SD-CD1 3.85Å; M98-Y143 HydrophobicContact SD-CE1 4.19Å; M98-L144 CarbonylContact C-O 3.58Å; M98-L144 WeakPolarHBondContact CA-O 3.48Å; M98-I145 HydrophobicContact CB-CD1 3.75Å; M98-I145 HydrophobicContact CE-CD1 3.55Å; M98-I145 HydrophobicContact CG-CD1 3.58Å; M98-I145 HydrophobicContact SD-CD1 4.4Å
99	K	91.4	Very high	84.4	Confident	38 Å²	38	55.7 Å²	55.7	17%	0.165	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118	170.8	-173.7	176	-177.7	178.9	0	108.9	V81 L101 E117 Y143 L144 D210	V81-K99 HydrophobicContact CG2-CB 4.36Å; V81-K99 HydrophobicContact CG2-CG 4.24Å; K99-L101 HydrophobicContact CG-CD1 4.08Å; K99-E117 IonicContact NZ-OE1 2.66Å; K99-E117 PolarHBondContact NZ-OE1 3.23Å; K99-E117 IonicContact NZ-OE2 2.8Å; K99-E117 PolarHBondContact NZ-OE2 3.36Å; K99-Y143 WeakPolarHBondContact O-CA 3.3Å; K99-L144 HydrophobicContact CB-CB 4.31Å; K99-L144 HydrophobicContact CD-CD1 4.49Å; K99-L144 PolarHBondContact N-O 2.8Å; K99-L144 PolarHBondContact O-N 3.28Å; K99-D210 IonicContact NZ-OD1 2.94Å; K99-D210 PolarHBondContact NZ-OD1 2.94Å
100	V	89.8	Confident	83.9	Confident	5 Å²	5	54.8 Å²	54.8	3%	0.03	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	119.1	-178.2	-173.7	0	0	0	0	109.8	G79 K80 F82 M98 K141 L142 Y143	G79-V100 CarbonylContact C-O 3.56Å; G79-V100 WeakPolarHBondContact CA-O 3.38Å; K80-V100 PolarHBondContact N-O 3.41Å; K80-V100 PolarHBondContact O-N 2.96Å; F82-V100 HydrophobicContact CD2-CG2 3.78Å; F82-V100 HydrophobicContact CE2-CB 4.18Å; F82-V100 HydrophobicContact CE2-CG2 3.77Å; M98-V100 HydrophobicContact CG-CG2 3.68Å; M98-V100 HydrophobicContact SD-CG2 3.77Å; V100-K141 HydrophobicContact CG1-CB 4.47Å; V100-K141 HydrophobicContact CG1-CD 3.88Å; V100-L142 WeakPolarHBondContact CA-O 3.43Å; V100-Y143 HydrophobicContact CB-CD1 4.46Å; V100-Y143 HydrophobicContact CB-CE1 4.4Å; V100-Y143 HydrophobicContact CG1-CD1 4.19Å; V100-Y143 HydrophobicContact CG1-CE1 3.78Å; V100-Y143 HydrophobicContact CG2-CD1 3.74Å; V100-Y143 HydrophobicContact CG2-CE1 3.78Å
101	L	86.4	Confident	83.9	Confident	9 Å²	9	50 Å²	50	5%	0.047	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	138.3	177.4	-54.3	96.3	0	0	0	111.2	F78 K99 L106 T114 K141 L142	F78-L101 WeakPolarHBondContact O-CA 3.36Å; K99-L101 HydrophobicContact CG-CD1 4.08Å; L101-L106 HydrophobicContact CB-CD1 4.34Å; L101-L106 HydrophobicContact CD2-CD2 4.29Å; L101-T114 HydrophobicContact CD1-CG2 4.24Å; L101-T114 HydrophobicContact CD2-CG2 4.2Å; L101-K141 CarbonylContact O-C 3.52Å; L101-K141 VanDerWaalsContact O-CA 3.23Å; L101-K141 WeakPolarHBondContact O-CA 3.48Å; L101-K141 WeakPolarHBondContact O-CB 3.45Å; L101-L142 HydrophobicContact CB-CB 4.4Å; L101-L142 HydrophobicContact CD1-CB 4.42Å; L101-L142 PolarHBondContact N-O 3.47Å; L101-L142 PolarHBondContact O-N 2.68Å
102	K	83.6	Confident	83.4	Confident	80 Å²	80	51.8 Å²	51.8	35%	0.348	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	121.3	177.5	-65.8	180	-178.6	-177.3	0	110.3	F78 A104 T105 L106	F78-K102 PolarHBondContact O-N 3.25Å; K102-A104 VanDerWaalsContact C-N 3.3Å; K102-A104 PolarHBondContact O-N 2.9Å; K102-T105 HydrophobicContact CB-CG2 4.25Å; K102-T105 WeakPolarHBondContact CB-OG1 3.41Å; K102-T105 PolarHBondContact O-N 3.36Å; K102-T105 PolarHBondContact O-OG1 3.12Å; K102-L106 WeakPolarHBondContact O-CG 3.35Å; K102-L106 PolarHBondContact O-N 3.34Å
103	K	82.6	Confident	82.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-61.8	-36.8	-177	-69	179.1	177.5	174.5	0	113.1	T105 L106 T138 G140 K141 L142 P373 F381	K103-T105 VanDerWaalsContact C-N 3.27Å; K103-T105 PolarHBondContact O-N 3.35Å; K103-L106 PolarHBondContact O-N 2.82Å; K103-T138 PolarHBondContact NZ-O 2.98Å; K103-G140 WeakPolarHBondContact CB-O 3.46Å; K103-G140 PolarHBondContact N-O 3.38Å; K103-K141 WeakPolarHBondContact CE-O 3.29Å; K103-L142 HydrophobicContact CG-CD2 4.45Å; K103-L142 HydrophobicContact CG-CG 4.08Å; K103-P373 HydrophobicContact CB-CB 3.95Å; K103-P373 HydrophobicContact CB-CG 3.76Å; K103-P373 HydrophobicContact CD-CG 3.88Å; K103-P373 HydrophobicContact CG-CG 4.48Å; K103-F381 HydrophobicContact CD-CD2 4.25Å; K103-F381 HydrophobicContact CD-CE2 4.46Å; K103-F381 HydrophobicContact CG-CD2 4.49Å; K103-F381 HydrophobicContact CG-CE2 4.24Å
104	A	75.3	Confident	82.6	Confident	57 Å²	57	51.3 Å²	51.3	47%	0.471	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-65.1	-27.5	179.8	0	0	0	0	0	113.5	K102	K102-A104 VanDerWaalsContact C-N 3.3Å; K102-A104 PolarHBondContact O-N 2.9Å
105	T	75.4	Confident	82.1	Confident	68 Å²	68	48.7 Å²	48.7	42%	0.417	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-92	-8.1	-179.5	59	0	0	0	0	113.2	K102 K103	K102-T105 HydrophobicContact CB-CG2 4.25Å; K102-T105 WeakPolarHBondContact CB-OG1 3.41Å; K102-T105 PolarHBondContact O-N 3.36Å; K102-T105 PolarHBondContact O-OG1 3.12Å; K103-T105 VanDerWaalsContact C-N 3.27Å; K103-T105 PolarHBondContact O-N 3.35Å
106	L	73.9	Confident	81.4	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.026	25%	0.246	C	C	.	.			trans	-84.2	119.5	179.2	-67.4	171.9	0	0	0	110.4	F78 L101 K102 K103 D110 R111 L142 F381	F78-L106 HydrophobicContact CB-CD2 3.85Å; F78-L106 HydrophobicContact CG-CD2 4.19Å; L101-L106 HydrophobicContact CB-CD1 4.34Å; L101-L106 HydrophobicContact CD2-CD2 4.29Å; K102-L106 WeakPolarHBondContact O-CG 3.35Å; K102-L106 PolarHBondContact O-N 3.34Å; K103-L106 PolarHBondContact O-N 2.82Å; L106-D110 HydrophobicContact CB-CB 4.41Å; L106-D110 HydrophobicContact CD2-CB 3.82Å; L106-R111 HydrophobicContact CB-CG 3.64Å; L106-R111 HydrophobicContact CD1-CG 4.45Å; L106-R111 PolarHBondContact O-NE 3.1Å; L106-R111 PolarHBondContact O-NH2 2.94Å; L106-L142 HydrophobicContact CD1-CD1 4.04Å; L106-F381 HydrophobicContact CD1-CZ 4.27Å
107	K	77.3	Confident	81	Confident	144 Å²	144	50.2 Å²	50.2	63%	0.626	25%	0.245	S	C	*	.			trans	-68.8	160.2	168.4	-59.2	-178.3	179.6	-180	0	109.7	R109 D110 R111	K107-R109 VanDerWaalsContact C-N 3.26Å; K107-R109 PolarHBondContact O-N 3.1Å; K107-R109 VanDerWaalsContact O-N 3.15Å; K107-D110 WeakPolarHBondContact CB-OD2 3.16Å; K107-D110 PolarHBondContact O-N 3.28Å; K107-R111 WeakPolarHBondContact O-CG 3.34Å; K107-R111 PolarHBondContact O-N 3.44Å
108	V	74.1	Confident	80.6	Confident	103 Å²	103	50.7 Å²	50.7	62%	0.624	25%	0.245	S	C	*	.	H	α-helix	trans	-49.8	-45.6	-177.1	177.9	0	0	0	0	112.4	D110 R111 V112	V108-D110 PolarHBondContact O-N 3.47Å; V108-R111 WeakPolarHBondContact O-CB 3.4Å; V108-R111 PolarHBondContact O-N 3.49Å; V108-V112 PolarHBondContact O-N 3.24Å
109	R	72.9	Confident	80.2	Confident	202 Å²	202	52.7 Å²	52.7	76%	0.762	26%	0.256	S	S	*	.	H	α-helix	trans	-61.5	-41.2	177.1	-70.7	-176.7	174.9	173.7	-0.2	112.8	K107 R111 V112 R113	K107-R109 VanDerWaalsContact C-N 3.26Å; K107-R109 PolarHBondContact O-N 3.1Å; K107-R109 VanDerWaalsContact O-N 3.15Å; R109-R111 VanDerWaalsContact C-N 3.32Å; R109-R111 PolarHBondContact O-N 2.86Å; R109-V112 PolarHBondContact O-N 2.86Å; R109-R113 WeakPolarHBondContact O-CG 3.43Å; R109-R113 PolarHBondContact O-N 2.79Å
110	D	73.9	Confident	79.9	Confident	21 Å²	21	50.9 Å²	50.9	11%	0.112	25%	0.248	C	C	.	.	H	α-helix	trans	-70.2	-31.8	-179.9	-55.5	-43.4	0	0	0	111.6	L106 K107 V108 R113 T114	L106-D110 HydrophobicContact CB-CB 4.41Å; L106-D110 HydrophobicContact CD2-CB 3.82Å; K107-D110 WeakPolarHBondContact CB-OD2 3.16Å; K107-D110 PolarHBondContact O-N 3.28Å; V108-D110 PolarHBondContact O-N 3.47Å; D110-R113 PolarHBondContact O-N 3.05Å; D110-R113 IonicContact OD1-NH1 3.8Å; D110-T114 PolarHBondContact O-N 2.86Å; D110-T114 PolarHBondContact O-OG1 2.8Å
111	R	77.7	Confident	79.8	Confident	36 Å²	36	50.9 Å²	50.9	14%	0.136	25%	0.248	C	C	.	.	H	α-helix	trans	-64.1	-44	174	-60.2	-179.6	-176	167.7	-4	112.1	L106 K107 V108 R109 T114 K115 A377 L380 F381	L106-R111 HydrophobicContact CB-CG 3.64Å; L106-R111 HydrophobicContact CD1-CG 4.45Å; L106-R111 PolarHBondContact O-NE 3.1Å; L106-R111 PolarHBondContact O-NH2 2.94Å; K107-R111 WeakPolarHBondContact O-CG 3.34Å; K107-R111 PolarHBondContact O-N 3.44Å; V108-R111 WeakPolarHBondContact O-CB 3.4Å; V108-R111 PolarHBondContact O-N 3.49Å; R109-R111 VanDerWaalsContact C-N 3.32Å; R109-R111 PolarHBondContact O-N 2.86Å; R111-T114 PolarHBondContact O-N 2.87Å; R111-K115 PolarHBondContact O-N 3.25Å; R111-A377 VanDerWaalsContact CZ-CB 3.4Å; R111-L380 HydrophobicContact CB-CD2 3.57Å; R111-F381 HydrophobicContact CB-CE1 4.09Å; R111-F381 HydrophobicContact CB-CE2 4.21Å; R111-F381 HydrophobicContact CB-CZ 3.46Å; R111-F381 VanDerWaalsContact CB-CZ 3.46Å; R111-F381 HydrophobicContact CG-CE2 4Å; R111-F381 HydrophobicContact CG-CZ 3.56Å
112	V	75.4	Confident	79.7	Confident	64 Å²	64	53.1 Å²	53.1	39%	0.388	26%	0.261	S	S	.	.	H	α-helix	trans	-62.9	-45	176.1	176.4	0	0	0	0	110	V108 R109 T114 K115 M116 L380	V108-V112 PolarHBondContact O-N 3.24Å; R109-V112 PolarHBondContact O-N 2.86Å; V112-T114 PolarHBondContact O-N 3.01Å; V112-K115 PolarHBondContact O-N 2.81Å; V112-M116 HydrophobicContact CG1-CG 4.43Å; V112-M116 HydrophobicContact CG1-SD 4Å; V112-M116 WeakPolarHBondContact O-CG 3.37Å; V112-M116 PolarHBondContact O-N 3.49Å; V112-L380 HydrophobicContact CG2-CD2 4.36Å
113	R	79	Confident	79.7	Confident	95 Å²	95	55.1 Å²	55.1	36%	0.358	27%	0.272	S	S	.	.	H	α-helix	trans	-58	-47.6	175.4	-75.2	175.8	176.3	172.8	-7.1	113	R109 D110 K115 M116 E117 G212	R109-R113 WeakPolarHBondContact O-CG 3.43Å; R109-R113 PolarHBondContact O-N 2.79Å; D110-R113 PolarHBondContact O-N 3.05Å; D110-R113 IonicContact OD1-NH1 3.8Å; R113-K115 VanDerWaalsContact C-N 3.28Å; R113-K115 PolarHBondContact O-N 3.2Å; R113-M116 PolarHBondContact O-N 3.41Å; R113-E117 WeakPolarHBondContact O-CB 3.36Å; R113-E117 PolarHBondContact O-N 3.48Å; R113-G212 WeakPolarHBondContact CB-O 3.42Å; R113-G212 WeakPolarHBondContact CD-O 3.05Å; R113-G212 WeakPolarHBondContact CG-O 3.22Å
114	T	79.6	Confident	79.9	Confident	7 Å²	7	55.7 Å²	55.7	4%	0.043	28%	0.275	C	S	.	.	H	α-helix	trans	-64.2	-34	177.8	-57.8	0	0	0	0	112.4	L101 D110 R111 V112 R118 L142 F384	L101-T114 HydrophobicContact CD1-CG2 4.24Å; L101-T114 HydrophobicContact CD2-CG2 4.2Å; D110-T114 PolarHBondContact O-N 2.86Å; D110-T114 PolarHBondContact O-OG1 2.8Å; R111-T114 PolarHBondContact O-N 2.87Å; V112-T114 PolarHBondContact O-N 3.01Å; T114-R118 PolarHBondContact O-N 3.08Å; T114-L142 HydrophobicContact CG2-CD1 3.67Å; T114-F384 HydrophobicContact CG2-CE2 4.19Å; T114-F384 HydrophobicContact CG2-CZ 4.41Å
115	K	80.4	Confident	80.5	Confident	49 Å²	49	58.4 Å²	58.4	21%	0.213	28%	0.282	C	S	.	.	H	α-helix	trans	-66.6	-49.2	174.8	-170.4	179.5	178.2	174.6	0	110.9	R111 V112 R113 R118 D119 L380	R111-K115 PolarHBondContact O-N 3.25Å; V112-K115 PolarHBondContact O-N 2.81Å; R113-K115 VanDerWaalsContact C-N 3.28Å; R113-K115 PolarHBondContact O-N 3.2Å; K115-R118 PolarHBondContact O-N 3.12Å; K115-D119 PolarHBondContact O-N 2.8Å; K115-L380 PolarHBondContact NZ-O 3.25Å
116	M	79.2	Confident	81.4	Confident	49 Å²	49	55.8 Å²	55.8	24%	0.241	27%	0.265	C	S	.	.	H	α-helix	trans	-60.9	-43.2	176.4	-70.1	176	71.1	0	0	112.4	V112 R113 R118 D119 I120 K215	V112-M116 HydrophobicContact CG1-CG 4.43Å; V112-M116 HydrophobicContact CG1-SD 4Å; V112-M116 WeakPolarHBondContact O-CG 3.37Å; V112-M116 PolarHBondContact O-N 3.49Å; R113-M116 PolarHBondContact O-N 3.41Å; M116-R118 VanDerWaalsContact C-N 3.26Å; M116-R118 PolarHBondContact O-N 2.94Å; M116-D119 PolarHBondContact O-N 3.03Å; M116-D119 VanDerWaalsContact O-N 3.14Å; M116-I120 WeakPolarHBondContact O-CB 3.03Å; M116-I120 WeakPolarHBondContact O-CG1 3.38Å; M116-I120 PolarHBondContact O-N 2.79Å; M116-K215 HydrophobicContact CE-CB 4.41Å; M116-K215 HydrophobicContact CE-CG 4.38Å
117	E	85.6	Confident	82.5	Confident	6 Å²	6	57.1 Å²	57.1	3%	0.028	27%	0.274	C	S	.	.	H	α-helix	trans	-53.9	-46.5	175.2	-179.1	-177.9	-174	0	0	110.6	K99 R113 L121 F211	K99-E117 IonicContact NZ-OE1 2.66Å; K99-E117 PolarHBondContact NZ-OE1 3.23Å; K99-E117 IonicContact NZ-OE2 2.8Å; K99-E117 PolarHBondContact NZ-OE2 3.36Å; R113-E117 WeakPolarHBondContact O-CB 3.36Å; R113-E117 PolarHBondContact O-N 3.48Å; E117-L121 HydrophobicContact CG-CD1 4.04Å; E117-L121 WeakPolarHBondContact O-CB 3.24Å; E117-L121 WeakPolarHBondContact O-CD1 3.29Å; E117-L121 WeakPolarHBondContact O-CG 3.42Å; E117-L121 PolarHBondContact O-N 3.05Å; E117-L121 VanDerWaalsContact O-N 3.07Å; E117-F211 HydrophobicContact CG-CB 4Å
118	R	85.7	Confident	83.4	Confident	22 Å²	22	50.3 Å²	50.3	8%	0.083	24%	0.244	C	C	.	.	H	α-helix	trans	-66.6	-42.3	177.3	179.8	-86.3	-52.4	176.6	15.3	112.2	T114 K115 M116 L121 V122 L132 A135 L144 G383 F384	T114-R118 PolarHBondContact O-N 3.08Å; K115-R118 PolarHBondContact O-N 3.12Å; M116-R118 VanDerWaalsContact C-N 3.26Å; M116-R118 PolarHBondContact O-N 2.94Å; R118-L121 PolarHBondContact O-N 3.18Å; R118-V122 VanDerWaalsContact O-CG2 3.3Å; R118-V122 WeakPolarHBondContact O-CG2 3.46Å; R118-V122 PolarHBondContact O-N 3.2Å; R118-V122 VanDerWaalsContact O-N 3.16Å; R118-L132 HydrophobicContact CG-CD2 4.2Å; R118-A135 HydrophobicContact CG-CB 3.82Å; R118-L144 HydrophobicContact CB-CD2 4.01Å; R118-L144 HydrophobicContact CG-CD2 3.9Å; R118-G383 PolarHBondContact NH1-O 2.61Å; R118-F384 HydrophobicContact CB-CD2 4.47Å; R118-F384 HydrophobicContact CB-CE2 3.86Å; R118-F384 HydrophobicContact CB-CZ 4.31Å; R118-F384 HydrophobicContact CG-CD2 4.29Å; R118-F384 HydrophobicContact CG-CE2 3.97Å; R118-F384 HydrophobicContact CG-CZ 4.22Å
119	D	84.1	Confident	84.5	Confident	46 Å²	46	45.6 Å²	45.6	25%	0.246	22%	0.216	C	C	.	.	H	α-helix	trans	-64	-47	179.4	-70.3	-41.6	0	0	0	111.3	K115 M116 L121 V122 E123	K115-D119 PolarHBondContact O-N 2.8Å; M116-D119 PolarHBondContact O-N 3.03Å; M116-D119 VanDerWaalsContact O-N 3.14Å; D119-L121 VanDerWaalsContact C-N 3.35Å; D119-L121 PolarHBondContact O-N 2.81Å; D119-V122 WeakPolarHBondContact O-CB 3.31Å; D119-V122 PolarHBondContact O-N 3.22Å; D119-V122 VanDerWaalsContact O-N 3.12Å; D119-E123 PolarHBondContact O-N 3.42Å
120	I	86	Confident	85.5	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-56.6	-48	174.3	-71.7	167.6	0	0	0	111.3	M116 V122 E123 V124 I188 F211	M116-I120 WeakPolarHBondContact O-CB 3.03Å; M116-I120 WeakPolarHBondContact O-CG1 3.38Å; M116-I120 PolarHBondContact O-N 2.79Å; I120-V122 PolarHBondContact O-N 3.28Å; I120-E123 PolarHBondContact O-N 3.03Å; I120-E123 VanDerWaalsContact O-N 3.13Å; I120-V124 HydrophobicContact CG2-CG2 4.02Å; I120-V124 VanDerWaalsContact O-CG2 3.29Å; I120-V124 WeakPolarHBondContact O-CG2 3.37Å; I120-V124 PolarHBondContact O-N 3.05Å; I120-I188 HydrophobicContact CD1-CG2 4.14Å; I120-I188 HydrophobicContact CG1-CD1 4.19Å; I120-I188 HydrophobicContact CG2-CD1 3.99Å; I120-I188 HydrophobicContact CG2-CG2 4.49Å; I120-F211 HydrophobicContact CG2-CB 4.32Å; I120-F211 HydrophobicContact CG2-CD1 3.67Å; I120-F211 HydrophobicContact CG2-CE1 4.29Å; I120-F211 HydrophobicContact CG2-CG 4.11Å
121	L	87.2	Confident	86.4	Confident	6 Å²	6	38.1 Å²	38.1	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-67.6	-17.7	-178.3	-77.4	171.5	0	0	0	114	E117 R118 D119 V130 L132 L146 F211	E117-L121 HydrophobicContact CG-CD1 4.04Å; E117-L121 WeakPolarHBondContact O-CB 3.24Å; E117-L121 WeakPolarHBondContact O-CD1 3.29Å; E117-L121 WeakPolarHBondContact O-CG 3.42Å; E117-L121 PolarHBondContact O-N 3.05Å; E117-L121 VanDerWaalsContact O-N 3.07Å; R118-L121 PolarHBondContact O-N 3.18Å; D119-L121 VanDerWaalsContact C-N 3.35Å; D119-L121 PolarHBondContact O-N 2.81Å; L121-V130 HydrophobicContact CD2-CG1 3.83Å; L121-L132 HydrophobicContact CB-CB 3.8Å; L121-L132 HydrophobicContact CB-CD2 3.91Å; L121-L132 HydrophobicContact CB-CG 4.44Å; L121-L146 HydrophobicContact CD1-CD2 3.98Å; L121-F211 HydrophobicContact CD2-CD2 3.57Å; L121-F211 HydrophobicContact CD2-CE2 3.78Å; L121-F211 HydrophobicContact CD2-CG 4.38Å; L121-F211 HydrophobicContact CG-CD2 4.06Å
122	V	85.2	Confident	87.1	Confident	55 Å²	55	36.6 Å²	36.6	33%	0.333	18%	0.182	S	C	.	.	H	α-helix	trans	-77.9	-35.8	172.7	167.2	0	0	0	0	111	R118 D119 I120 L132 F386	R118-V122 VanDerWaalsContact O-CG2 3.3Å; R118-V122 WeakPolarHBondContact O-CG2 3.46Å; R118-V122 PolarHBondContact O-N 3.2Å; R118-V122 VanDerWaalsContact O-N 3.16Å; D119-V122 WeakPolarHBondContact O-CB 3.31Å; D119-V122 PolarHBondContact O-N 3.22Å; D119-V122 VanDerWaalsContact O-N 3.12Å; I120-V122 PolarHBondContact O-N 3.28Å; V122-L132 HydrophobicContact CG2-CD2 3.89Å; V122-F386 HydrophobicContact CB-CE2 4.41Å; V122-F386 HydrophobicContact CB-CZ 4.37Å; V122-F386 HydrophobicContact CG1-CD2 4.1Å; V122-F386 HydrophobicContact CG1-CE2 3.63Å; V122-F386 HydrophobicContact CG1-CZ 3.9Å; V122-F386 HydrophobicContact CG2-CB 4.41Å; V122-F386 HydrophobicContact CG2-CD1 3.75Å; V122-F386 HydrophobicContact CG2-CD2 3.86Å; V122-F386 HydrophobicContact CG2-CE1 3.86Å; V122-F386 HydrophobicContact CG2-CE2 3.98Å; V122-F386 HydrophobicContact CG2-CG 3.74Å; V122-F386 HydrophobicContact CG2-CZ 3.97Å
123	E	83.2	Confident	87.8	Confident	123 Å²	123	34.5 Å²	34.5	58%	0.575	17%	0.168	S	C	*	.	H	α-helix	trans	-85.3	-28.3	-175.6	-64.6	-174.9	174.6	0	0	113.2	D119 I120	D119-E123 PolarHBondContact O-N 3.42Å; I120-E123 PolarHBondContact O-N 3.03Å; I120-E123 VanDerWaalsContact O-N 3.13Å
124	V	86.9	Confident	88.4	Confident	11 Å²	11	30.9 Å²	30.9	7%	0.067	16%	0.155	C	C	.	.			trans	-82.9	124.4	-175.7	173.4	0	0	0	0	111.7	I120 I129 L183 L186 I188	I120-V124 HydrophobicContact CG2-CG2 4.02Å; I120-V124 VanDerWaalsContact O-CG2 3.29Å; I120-V124 WeakPolarHBondContact O-CG2 3.37Å; I120-V124 PolarHBondContact O-N 3.05Å; V124-I129 HydrophobicContact CG1-CB 3.95Å; V124-I129 HydrophobicContact CG1-CD1 3.49Å; V124-I129 VanDerWaalsContact CG1-CD1 3.49Å; V124-I129 HydrophobicContact CG1-CG1 4.3Å; V124-I129 HydrophobicContact CG1-CG2 3.6Å; V124-L183 HydrophobicContact CG1-CD2 4.35Å; V124-L183 HydrophobicContact CG2-CD2 3.69Å; V124-L186 HydrophobicContact CG2-CD1 3.94Å; V124-I188 HydrophobicContact CG2-CD1 4.15Å
125	N	88.1	Confident	88.8	Confident	114 Å²	114	30.5 Å²	30.5	61%	0.61	15%	0.153	S	C	*	.			trans	-133.8	100.6	171.8	-174.9	27.1	0	0	0	110.3
126	H	94.7	Very high	89.1	Confident	14 Å²	14	28.3 Å²	28.3	7%	0.065	14%	0.143	C	C	.	.			trans	-150	140.7	-175	-171.1	-92.7	0	0	0	111	F128 I129 L178 A179 H182 F335	H126-F128 AromaticContact CE1-CD2 3.62Å; H126-F128 PolarHBondContact ND1-N 3.48Å; H126-F128 PolarHBondContact O-N 2.98Å; H126-F128 VanDerWaalsContact O-N 3.14Å; H126-I129 HydrophobicContact CB-CB 4.17Å; H126-I129 HydrophobicContact CB-CD1 3.9Å; H126-I129 HydrophobicContact CB-CG1 4.05Å; H126-I129 PolarHBondContact O-N 3.41Å; H126-I129 VanDerWaalsContact O-N 3.08Å; H126-L178 PolarHBondContact NE2-O 3.3Å; H126-A179 PolarHBondContact CE1-N 3.15Å; H126-H182 AromaticContact CD2-CG 3.77Å; H126-F335 AromaticContact CD2-CE2 3.68Å; H126-F335 AromaticContact NE2-CD2 3.81Å; H126-F335 AromaticContact NE2-CE2 3.41Å; H126-F335 WeakPolarHBondContact NE2-CE2 3.48Å
127	P	95.8	Very high	89.4	Confident	33 Å²	33	28.1 Å²	28.1	21%	0.214	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-34.5	-175.9	19.7	-33.2	0	0	0	113.6	K207 F335 R337	P127-K207 VanDerWaalsContact O-CE 3.24Å; P127-K207 WeakPolarHBondContact O-CE 2.98Å; P127-F335 HydrophobicContact CG-CD2 4.09Å; P127-F335 HydrophobicContact CG-CE2 3.97Å; P127-F335 HydrophobicContact CG-CZ 4.33Å; P127-R337 HydrophobicContact CB-CG 4.43Å
128	F	97.4	Very high	89.3	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	19.6	-177.5	-51.3	-51.2	0	0	0	114	H126 E175 L178 A179 H205 I206 K207 L208 L334 R337	H126-F128 AromaticContact CE1-CD2 3.62Å; H126-F128 PolarHBondContact ND1-N 3.48Å; H126-F128 PolarHBondContact O-N 2.98Å; H126-F128 VanDerWaalsContact O-N 3.14Å; F128-E175 HydrophobicContact CD1-CB 4.08Å; F128-E175 HydrophobicContact CD1-CG 4.21Å; F128-E175 HydrophobicContact CD2-CB 3.91Å; F128-E175 HydrophobicContact CD2-CG 4.34Å; F128-E175 WeakPolarHBondContact CD2-O 3.34Å; F128-E175 HydrophobicContact CE1-CB 4.18Å; F128-E175 VanDerWaalsContact CE1-CD 3.43Å; F128-E175 HydrophobicContact CE1-CG 3.81Å; F128-E175 WeakPolarHBondContact CE1-OE1 3.5Å; F128-E175 HydrophobicContact CE2-CB 4.04Å; F128-E175 HydrophobicContact CE2-CG 3.99Å; F128-E175 HydrophobicContact CG-CB 3.96Å; F128-E175 HydrophobicContact CG-CG 4.47Å; F128-E175 HydrophobicContact CZ-CB 4.15Å; F128-E175 HydrophobicContact CZ-CG 3.69Å; F128-L178 HydrophobicContact CD2-CB 4.15Å; F128-L178 HydrophobicContact CD2-CD1 4.34Å; F128-L178 HydrophobicContact CE2-CB 4.43Å; F128-L178 HydrophobicContact CE2-CD1 3.8Å; F128-A179 HydrophobicContact CB-CB 4.08Å; F128-H205 HydrophobicContact CD1-CB 4.46Å; F128-H205 HydrophobicContact CE1-CB 4.16Å; F128-H205 AromaticContact CE1-ND1 3.97Å; F128-I206 WeakPolarHBondContact CA-O 3.38Å; F128-I206 WeakPolarHBondContact CD1-O 3.39Å; F128-K207 WeakPolarHBondContact O-CA 3.38Å; F128-L208 PolarHBondContact O-N 2.75Å; F128-L334 HydrophobicContact CZ-CG 4.37Å; F128-L334 VanDerWaalsContact CZ-O 3.3Å; F128-L334 WeakPolarHBondContact CZ-O 3.41Å; F128-R337 HydrophobicContact CE1-CG 4Å; F128-R337 HydrophobicContact CZ-CG 4.2Å
129	I	96.1	Very high	88.9	Confident	4 Å²	4	36 Å²	36	2%	0.021	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-125.2	140.8	172.7	-61.1	175.7	0	0	0	108.9	V124 H126 K131 A179 L183 L208 F211	V124-I129 HydrophobicContact CG1-CB 3.95Å; V124-I129 HydrophobicContact CG1-CD1 3.49Å; V124-I129 VanDerWaalsContact CG1-CD1 3.49Å; V124-I129 HydrophobicContact CG1-CG1 4.3Å; V124-I129 HydrophobicContact CG1-CG2 3.6Å; H126-I129 HydrophobicContact CB-CB 4.17Å; H126-I129 HydrophobicContact CB-CD1 3.9Å; H126-I129 HydrophobicContact CB-CG1 4.05Å; H126-I129 PolarHBondContact O-N 3.41Å; H126-I129 VanDerWaalsContact O-N 3.08Å; I129-K131 PolarHBondContact O-N 3.26Å; I129-A179 HydrophobicContact CD1-CB 4.26Å; I129-A179 HydrophobicContact CG1-CB 3.9Å; I129-L183 HydrophobicContact CD1-CD1 4.16Å; I129-L183 HydrophobicContact CD1-CD2 3.9Å; I129-L183 HydrophobicContact CD1-CG 3.79Å; I129-L208 HydrophobicContact CG1-CB 4.41Å; I129-F211 HydrophobicContact CG2-CE1 4.49Å; I129-F211 HydrophobicContact CG2-CE2 3.77Å; I129-F211 HydrophobicContact CG2-CZ 3.42Å; I129-F211 VanDerWaalsContact CG2-CZ 3.42Å
130	V	94.3	Very high	88.7	Confident	4 Å²	4	34 Å²	34	2%	0.024	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-60.8	132.3	178	73.3	0	0	0	0	110.7	L121 L146 D147 L149 L208 F211	L121-V130 HydrophobicContact CD2-CG1 3.83Å; V130-L146 HydrophobicContact CG2-CB 4.03Å; V130-D147 HydrophobicContact CG2-CB 3.95Å; V130-L149 HydrophobicContact CG2-CD1 4.31Å; V130-L208 WeakPolarHBondContact CB-O 3.33Å; V130-L208 WeakPolarHBondContact CG1-O 3.33Å; V130-L208 PolarHBondContact N-O 3.19Å; V130-F211 HydrophobicContact CG1-CE2 4.13Å
131	K	92.8	Very high	88.6	Confident	63 Å²	63	34.6 Å²	34.6	27%	0.274	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-86.9	137.8	177.1	-169.3	171.1	-177.6	169.6	0	111.4	I129 L146 D147	I129-K131 PolarHBondContact O-N 3.26Å; K131-L146 VanDerWaalsContact O-CA 3.31Å; K131-L146 WeakPolarHBondContact O-CA 3.34Å; K131-D147 PolarHBondContact N-OD2 3.23Å; K131-D147 PolarHBondContact O-N 2.85Å; K131-D147 VanDerWaalsContact O-N 3.16Å
132	L	92.4	Very high	88.6	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	117.7	166.3	177.3	72.2	0	0	0	109.8	R118 L121 V122 Y134 A135 L144 L146 F386 A388	R118-L132 HydrophobicContact CG-CD2 4.2Å; L121-L132 HydrophobicContact CB-CB 3.8Å; L121-L132 HydrophobicContact CB-CD2 3.91Å; L121-L132 HydrophobicContact CB-CG 4.44Å; V122-L132 HydrophobicContact CG2-CD2 3.89Å; L132-Y134 VanDerWaalsContact CD1-O 3.3Å; L132-Y134 WeakPolarHBondContact CD1-O 3.37Å; L132-A135 HydrophobicContact CD1-CB 4.5Å; L132-A135 HydrophobicContact CD2-CB 4.31Å; L132-L144 HydrophobicContact CD1-CB 4.02Å; L132-L144 HydrophobicContact CD1-CD2 3.9Å; L132-L146 HydrophobicContact CB-CD2 4.13Å; L132-L146 HydrophobicContact CD1-CD2 3.79Å; L132-F386 HydrophobicContact CD2-CD1 4.09Å; L132-F386 HydrophobicContact CD2-CE1 4.45Å; L132-F386 HydrophobicContact CG-CD1 4.37Å; L132-A388 WeakPolarHBondContact O-CB 3.25Å
133	H	90.6	Very high	88.8	Confident	20 Å²	20	32 Å²	32	9%	0.093	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-41.2	-180	-66.3	-94.7	0	0	0	111.8	Y96 I145 D147 A388	Y96-H133 HydrophobicContact CD1-CB 4.48Å; Y96-H133 AromaticContact CD1-CD2 3.89Å; Y96-H133 HydrophobicContact CE1-CB 4.04Å; Y96-H133 AromaticContact CE1-CD2 3.63Å; Y96-H133 AromaticContact CE1-CE1 3.89Å; Y96-H133 AromaticContact CE1-CG 3.52Å; Y96-H133 AromaticContact CE1-ND1 3.7Å; Y96-H133 AromaticContact CE1-NE2 3.85Å; H133-I145 PolarHBondContact N-O 2.75Å; H133-D147 IonicContact CD2-OD1 2.72Å; H133-D147 IonicContact CE1-OD1 3.16Å; H133-D147 IonicContact NE2-OD1 3.65Å; H133-D147 PolarHBondContact NE2-OD1 2.8Å; H133-A388 WeakPolarHBondContact O-CB 3.27Å; H133-A388 PolarHBondContact O-N 2.63Å
134	Y	90.2	Very high	89.2	Confident	19 Å²	19	26.1 Å²	26.1	8%	0.075	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	141.4	179.6	-49.1	-94.4	0	0	0	110.1	A62 F67 K86 D91 Y96 L132 I145 F386 V387	A62-Y134 HydrophobicContact CB-CD1 4.18Å; F67-Y134 HydrophobicContact CE1-CD2 4.34Å; F67-Y134 AromaticContact CZ-CD2 3.92Å; F67-Y134 HydrophobicContact CZ-CD2 3.92Å; F67-Y134 HydrophobicContact CZ-CE2 4.32Å; F67-Y134 HydrophobicContact CZ-CG 4.17Å; K86-Y134 PolarHBondContact NZ-OH 2.65Å; D91-Y134 VanDerWaalsContact CG-OH 3.23Å; D91-Y134 PolarHBondContact OD1-OH 3.47Å; D91-Y134 PolarHBondContact OD2-OH 2.81Å; Y96-Y134 HydrophobicContact CE2-CE2 4.47Å; L132-Y134 VanDerWaalsContact CD1-O 3.3Å; L132-Y134 WeakPolarHBondContact CD1-O 3.37Å; Y134-I145 HydrophobicContact CD2-CB 3.82Å; Y134-I145 HydrophobicContact CD2-CG1 4.18Å; Y134-I145 HydrophobicContact CD2-CG2 3.75Å; Y134-I145 HydrophobicContact CG-CB 4.29Å; Y134-I145 HydrophobicContact CG-CG1 4.32Å; Y134-I145 PolarHBondContact N-O 3.34Å; Y134-I145 PolarHBondContact O-N 2.89Å; Y134-F386 WeakPolarHBondContact CA-O 3.08Å; Y134-V387 HydrophobicContact CD1-CB 4.32Å; Y134-V387 HydrophobicContact CD1-CG1 3.86Å; Y134-V387 HydrophobicContact CD1-CG2 4.07Å; Y134-V387 HydrophobicContact CE1-CG1 3.64Å
135	A	88.1	Confident	89.5	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136	162	0	0	0	0	0	108.8	R118 L132 Y143 L144 F384 S385 F386	R118-A135 HydrophobicContact CG-CB 3.82Å; L132-A135 HydrophobicContact CD1-CB 4.5Å; L132-A135 HydrophobicContact CD2-CB 4.31Å; A135-Y143 WeakPolarHBondContact CA-O 3.45Å; A135-L144 HydrophobicContact CB-CD2 3.7Å; A135-F384 HydrophobicContact CB-CD1 4.33Å; A135-F384 HydrophobicContact CB-CE1 4.05Å; A135-F384 WeakPolarHBondContact CB-O 3.15Å; A135-S385 CarbonylContact O-C 3.45Å; A135-S385 WeakPolarHBondContact O-CA 3.23Å; A135-F386 HydrophobicContact CB-CB 4.08Å; A135-F386 PolarHBondContact N-O 3.16Å; A135-F386 PolarHBondContact O-N 3.26Å; A135-F386 VanDerWaalsContact O-O 3.12Å
136	F	88.6	Confident	89.8	Confident	3 Å²	3	20.8 Å²	20.8	1%	0.013	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	173.3	175.4	57.7	-90.6	0	0	0	110.9	A62 P64 F67 M98 Y143 I145 F384	A62-F136 HydrophobicContact CB-CB 4.18Å; A62-F136 HydrophobicContact CB-CD1 3.56Å; A62-F136 HydrophobicContact CB-CE1 4.2Å; A62-F136 HydrophobicContact CB-CG 4.06Å; P64-F136 HydrophobicContact CB-CE2 4.28Å; P64-F136 VanDerWaalsContact CD-CE2 3.45Å; P64-F136 HydrophobicContact CG-CD2 4.45Å; P64-F136 HydrophobicContact CG-CE2 3.72Å; F67-F136 HydrophobicContact CD2-CE1 4.25Å; F67-F136 HydrophobicContact CD2-CZ 4.07Å; F67-F136 AromaticContact CE2-CE1 3.66Å; F67-F136 HydrophobicContact CE2-CE1 3.66Å; F67-F136 AromaticContact CE2-CZ 3.95Å; F67-F136 HydrophobicContact CE2-CZ 3.95Å; F67-F136 HydrophobicContact CZ-CE1 4.37Å; M98-F136 HydrophobicContact CE-CZ 4.34Å; F136-Y143 AromaticContact CD2-CD2 3.67Å; F136-Y143 HydrophobicContact CD2-CD2 3.67Å; F136-Y143 AromaticContact CD2-CG 3.77Å; F136-Y143 HydrophobicContact CD2-CG 3.77Å; F136-Y143 AromaticContact CE2-CD1 3.75Å; F136-Y143 HydrophobicContact CE2-CD1 3.75Å; F136-Y143 AromaticContact CE2-CD2 3.5Å; F136-Y143 HydrophobicContact CE2-CD2 3.5Å; F136-Y143 HydrophobicContact CE2-CE1 4.4Å; F136-Y143 HydrophobicContact CE2-CE2 4.2Å; F136-Y143 AromaticContact CE2-CG 3.25Å; F136-Y143 HydrophobicContact CE2-CG 3.25Å; F136-Y143 HydrophobicContact CZ-CD1 4.02Å; F136-Y143 HydrophobicContact CZ-CD2 4.45Å; F136-Y143 AromaticContact CZ-CG 3.77Å; F136-Y143 HydrophobicContact CZ-CG 3.77Å; F136-Y143 PolarHBondContact N-O 2.85Å; F136-Y143 PolarHBondContact O-N 2.69Å; F136-I145 HydrophobicContact CE1-CD1 3.95Å; F136-I145 HydrophobicContact CE1-CG1 3.74Å; F136-I145 HydrophobicContact CZ-CD1 4.27Å; F136-F384 WeakPolarHBondContact O-CE1 3.28Å
137	Q	85	Confident	89.7	Confident	45 Å²	45	21.4 Å²	21.4	21%	0.21	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	152.6	-175.8	63.5	-179.7	-40.8	0	0	111.4	K141 L142 F381 F384	Q137-K141 WeakPolarHBondContact CA-O 3.2Å; Q137-K141 WeakPolarHBondContact CB-O 3.22Å; Q137-L142 HydrophobicContact CB-CD2 3.73Å; Q137-F381 PolarHBondContact NE2-O 2.97Å; Q137-F384 HydrophobicContact CB-CD1 4.28Å
138	T	83.9	Confident	89.6	Confident	51 Å²	51	21 Å²	21	31%	0.313	10%	0.102	S	C	.	.			trans	-112.2	-177.3	165.8	60.8	0	0	0	0	109.2	P64 K103 G140 K141 Y143	P64-T138 HydrophobicContact CG-CG2 3.85Å; K103-T138 PolarHBondContact NZ-O 2.98Å; T138-G140 VanDerWaalsContact C-N 3.26Å; T138-G140 PolarHBondContact O-N 2.7Å; T138-K141 PolarHBondContact N-O 3.36Å; T138-K141 PolarHBondContact OG1-N 3.21Å; T138-Y143 HydrophobicContact CG2-CE2 3.75Å
139	E	77.3	Confident	89.3	Confident	143 Å²	143	21.5 Å²	21.5	67%	0.668	10%	0.104	S	C	*	.	S	Bend	trans	-54.8	-43.8	176.1	-67.4	-174.3	168.9	0	0	111.9	P373	E139-P373 WeakPolarHBondContact O-CD 3.48Å
140	G	78.3	Confident	88.8	Confident	4 Å²	4	24 Å²	24	4%	0.041	11%	0.114	C	C	.	.	S	Bend	trans	-100.7	-9.6	-175	0	0	0	0	0	116.6	K103 T138	K103-G140 WeakPolarHBondContact CB-O 3.46Å; K103-G140 PolarHBondContact N-O 3.38Å; T138-G140 VanDerWaalsContact C-N 3.26Å; T138-G140 PolarHBondContact O-N 2.7Å
141	K	85.7	Confident	88.3	Confident	11 Å²	11	24.1 Å²	24.1	5%	0.048	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	160.7	-167.2	-60.8	175	-172	173.6	0	114.7	V100 L101 K103 Q137 T138 Y143 D367 S368	V100-K141 HydrophobicContact CG1-CB 4.47Å; V100-K141 HydrophobicContact CG1-CD 3.88Å; L101-K141 CarbonylContact O-C 3.52Å; L101-K141 VanDerWaalsContact O-CA 3.23Å; L101-K141 WeakPolarHBondContact O-CA 3.48Å; L101-K141 WeakPolarHBondContact O-CB 3.45Å; K103-K141 WeakPolarHBondContact CE-O 3.29Å; Q137-K141 WeakPolarHBondContact CA-O 3.2Å; Q137-K141 WeakPolarHBondContact CB-O 3.22Å; T138-K141 PolarHBondContact N-O 3.36Å; T138-K141 PolarHBondContact OG1-N 3.21Å; K141-Y143 HydrophobicContact CB-CD2 4.41Å; K141-Y143 HydrophobicContact CB-CE2 3.65Å; K141-Y143 HydrophobicContact CD-CE2 4.42Å; K141-Y143 VanDerWaalsContact CD-OH 3.3Å; K141-Y143 WeakPolarHBondContact CD-OH 3.38Å; K141-D367 IonicContact NZ-OD1 2.73Å; K141-D367 PolarHBondContact NZ-OD1 2.87Å; K141-D367 IonicContact NZ-OD2 3.37Å; K141-D367 PolarHBondContact NZ-OD2 3.25Å; K141-S368 WeakPolarHBondContact CE-O 3.33Å; K141-S368 PolarHBondContact NZ-O 3.14Å
142	L	86.9	Confident	88	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143.6	171.3	-57.8	172.7	0	0	0	109.4	V100 L101 K103 L106 T114 Q137 F381 F384	V100-L142 WeakPolarHBondContact CA-O 3.43Å; L101-L142 HydrophobicContact CB-CB 4.4Å; L101-L142 HydrophobicContact CD1-CB 4.42Å; L101-L142 PolarHBondContact N-O 3.47Å; L101-L142 PolarHBondContact O-N 2.68Å; K103-L142 HydrophobicContact CG-CD2 4.45Å; K103-L142 HydrophobicContact CG-CG 4.08Å; L106-L142 HydrophobicContact CD1-CD1 4.04Å; T114-L142 HydrophobicContact CG2-CD1 3.67Å; Q137-L142 HydrophobicContact CB-CD2 3.73Å; L142-F381 HydrophobicContact CD1-CD1 3.86Å; L142-F381 HydrophobicContact CD1-CE1 3.43Å; L142-F381 VanDerWaalsContact CD1-CE1 3.43Å; L142-F381 HydrophobicContact CD1-CE2 4.31Å; L142-F381 HydrophobicContact CD1-CG 4.46Å; L142-F381 HydrophobicContact CD1-CZ 3.65Å; L142-F381 HydrophobicContact CD2-CB 4.35Å; L142-F381 HydrophobicContact CD2-CD1 4.01Å; L142-F381 HydrophobicContact CD2-CD2 4.5Å; L142-F381 HydrophobicContact CD2-CE1 4.42Å; L142-F381 HydrophobicContact CD2-CG 4.05Å; L142-F384 HydrophobicContact CB-CE1 3.96Å; L142-F384 HydrophobicContact CB-CZ 3.9Å; L142-F384 HydrophobicContact CD1-CE2 4.24Å; L142-F384 HydrophobicContact CD1-CZ 4.29Å; L142-F384 HydrophobicContact CD2-CD1 3.9Å; L142-F384 HydrophobicContact CD2-CD2 4.21Å; L142-F384 HydrophobicContact CD2-CE1 3.95Å; L142-F384 HydrophobicContact CD2-CE2 4.26Å; L142-F384 HydrophobicContact CD2-CG 4.03Å; L142-F384 HydrophobicContact CD2-CZ 4.12Å; L142-F384 HydrophobicContact CG-CE1 4.46Å; L142-F384 HydrophobicContact CG-CZ 4.33Å
143	Y	89.3	Confident	87.8	Confident	7 Å²	7	22.5 Å²	22.5	3%	0.027	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	127.5	-177	-62.3	-98.8	0	0	0	109.4	P64 M98 K99 V100 A135 F136 T138 K141 D367	P64-Y143 HydrophobicContact CB-CE1 4.36Å; P64-Y143 HydrophobicContact CG-CE1 4.29Å; P64-Y143 HydrophobicContact CG-CE2 4.12Å; M98-Y143 HydrophobicContact CE-CD1 4.45Å; M98-Y143 HydrophobicContact CG-CD1 4.23Å; M98-Y143 HydrophobicContact SD-CD1 3.85Å; M98-Y143 HydrophobicContact SD-CE1 4.19Å; K99-Y143 WeakPolarHBondContact O-CA 3.3Å; V100-Y143 HydrophobicContact CB-CD1 4.46Å; V100-Y143 HydrophobicContact CB-CE1 4.4Å; V100-Y143 HydrophobicContact CG1-CD1 4.19Å; V100-Y143 HydrophobicContact CG1-CE1 3.78Å; V100-Y143 HydrophobicContact CG2-CD1 3.74Å; V100-Y143 HydrophobicContact CG2-CE1 3.78Å; A135-Y143 WeakPolarHBondContact CA-O 3.45Å; F136-Y143 AromaticContact CD2-CD2 3.67Å; F136-Y143 HydrophobicContact CD2-CD2 3.67Å; F136-Y143 AromaticContact CD2-CG 3.77Å; F136-Y143 HydrophobicContact CD2-CG 3.77Å; F136-Y143 AromaticContact CE2-CD1 3.75Å; F136-Y143 HydrophobicContact CE2-CD1 3.75Å; F136-Y143 AromaticContact CE2-CD2 3.5Å; F136-Y143 HydrophobicContact CE2-CD2 3.5Å; F136-Y143 HydrophobicContact CE2-CE1 4.4Å; F136-Y143 HydrophobicContact CE2-CE2 4.2Å; F136-Y143 AromaticContact CE2-CG 3.25Å; F136-Y143 HydrophobicContact CE2-CG 3.25Å; F136-Y143 HydrophobicContact CZ-CD1 4.02Å; F136-Y143 HydrophobicContact CZ-CD2 4.45Å; F136-Y143 AromaticContact CZ-CG 3.77Å; F136-Y143 HydrophobicContact CZ-CG 3.77Å; F136-Y143 PolarHBondContact N-O 2.85Å; F136-Y143 PolarHBondContact O-N 2.69Å; T138-Y143 HydrophobicContact CG2-CE2 3.75Å; K141-Y143 HydrophobicContact CB-CD2 4.41Å; K141-Y143 HydrophobicContact CB-CE2 3.65Å; K141-Y143 HydrophobicContact CD-CE2 4.42Å; K141-Y143 VanDerWaalsContact CD-OH 3.3Å; K141-Y143 WeakPolarHBondContact CD-OH 3.38Å; Y143-D367 PolarHBondContact OH-OD2 3Å
144	L	90.7	Very high	87.7	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.7	170.1	-60	173.5	0	0	0	108.1	M98 K99 R118 L132 A135 F384	M98-L144 CarbonylContact C-O 3.58Å; M98-L144 WeakPolarHBondContact CA-O 3.48Å; K99-L144 HydrophobicContact CB-CB 4.31Å; K99-L144 HydrophobicContact CD-CD1 4.49Å; K99-L144 PolarHBondContact N-O 2.8Å; K99-L144 PolarHBondContact O-N 3.28Å; R118-L144 HydrophobicContact CB-CD2 4.01Å; R118-L144 HydrophobicContact CG-CD2 3.9Å; L132-L144 HydrophobicContact CD1-CB 4.02Å; L132-L144 HydrophobicContact CD1-CD2 3.9Å; A135-L144 HydrophobicContact CB-CD2 3.7Å; L144-F384 HydrophobicContact CD2-CE1 4.05Å; L144-F384 HydrophobicContact CD2-CZ 3.61Å; L144-F384 HydrophobicContact CG-CZ 4.21Å
145	I	93.5	Very high	87.4	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	110.2	179.1	-49.9	-58.1	0	0	0	107.9	F67 Y96 M98 H133 Y134 F136	F67-I145 HydrophobicContact CD1-CD1 4.42Å; F67-I145 HydrophobicContact CE1-CD1 4.25Å; F67-I145 HydrophobicContact CE1-CG1 4.14Å; F67-I145 HydrophobicContact CE1-CG2 3.91Å; F67-I145 HydrophobicContact CE2-CD1 4.41Å; F67-I145 HydrophobicContact CE2-CG1 4.32Å; F67-I145 HydrophobicContact CZ-CD1 4.24Å; F67-I145 HydrophobicContact CZ-CG1 3.88Å; F67-I145 HydrophobicContact CZ-CG2 4.35Å; Y96-I145 VanDerWaalsContact CB-CG2 3.46Å; Y96-I145 HydrophobicContact CD1-CG2 3.89Å; Y96-I145 HydrophobicContact CD2-CG2 4.08Å; Y96-I145 HydrophobicContact CG-CG2 3.54Å; M98-I145 HydrophobicContact CB-CD1 3.75Å; M98-I145 HydrophobicContact CE-CD1 3.55Å; M98-I145 HydrophobicContact CG-CD1 3.58Å; M98-I145 HydrophobicContact SD-CD1 4.4Å; H133-I145 PolarHBondContact N-O 2.75Å; Y134-I145 HydrophobicContact CD2-CB 3.82Å; Y134-I145 HydrophobicContact CD2-CG1 4.18Å; Y134-I145 HydrophobicContact CD2-CG2 3.75Å; Y134-I145 HydrophobicContact CG-CB 4.29Å; Y134-I145 HydrophobicContact CG-CG1 4.32Å; Y134-I145 PolarHBondContact N-O 3.34Å; Y134-I145 PolarHBondContact O-N 2.89Å; F136-I145 HydrophobicContact CE1-CD1 3.95Å; F136-I145 HydrophobicContact CE1-CG1 3.74Å; F136-I145 HydrophobicContact CZ-CD1 4.27Å
146	L	93.7	Very high	86.9	Confident	12 Å²	12	22.4 Å²	22.4	6%	0.063	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	166.6	-170.9	-58.6	169	0	0	0	110.7	A97 L121 V130 K131 L132 F148	A97-L146 HydrophobicContact CB-CB 4.45Å; A97-L146 PolarHBondContact N-O 3.24Å; A97-L146 PolarHBondContact O-N 2.62Å; L121-L146 HydrophobicContact CD1-CD2 3.98Å; V130-L146 HydrophobicContact CG2-CB 4.03Å; K131-L146 VanDerWaalsContact O-CA 3.31Å; K131-L146 WeakPolarHBondContact O-CA 3.34Å; L132-L146 HydrophobicContact CB-CD2 4.13Å; L132-L146 HydrophobicContact CD1-CD2 3.79Å; L146-F148 PolarHBondContact O-N 2.96Å
147	D	93.2	Very high	86.4	Confident	28 Å²	28	22.9 Å²	22.9	15%	0.15	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.6	134.7	167.8	-68.9	-26.3	0	0	0	111	V130 K131 H133 L149 K207	V130-D147 HydrophobicContact CG2-CB 3.95Å; K131-D147 PolarHBondContact N-OD2 3.23Å; K131-D147 PolarHBondContact O-N 2.85Å; K131-D147 VanDerWaalsContact O-N 3.16Å; H133-D147 IonicContact CD2-OD1 2.72Å; H133-D147 IonicContact CE1-OD1 3.16Å; H133-D147 IonicContact NE2-OD1 3.65Å; H133-D147 PolarHBondContact NE2-OD1 2.8Å; D147-L149 HydrophobicContact CB-CD2 3.94Å; D147-L149 HydrophobicContact CB-CG 4.15Å; D147-L149 PolarHBondContact O-N 3.06Å; D147-K207 IonicContact OD2-NZ 3.41Å; D147-K207 PolarHBondContact OD2-NZ 3.44Å
148	F	92.8	Very high	85.8	Confident	25 Å²	25	20.8 Å²	20.8	11%	0.11	10%	0.103	C	C	.	.			trans	-85.2	106.5	167.5	174.4	-126	0	0	0	110.2	L73 L83 L95 L146 R150 T353 F356	L73-F148 HydrophobicContact CD1-CD2 3.83Å; L73-F148 HydrophobicContact CD1-CE2 3.76Å; L73-F148 HydrophobicContact CD2-CE2 4.13Å; L83-F148 HydrophobicContact CD1-CB 4.37Å; L83-F148 HydrophobicContact CD1-CD1 3.72Å; L83-F148 HydrophobicContact CD1-CD2 3.65Å; L83-F148 HydrophobicContact CD1-CE1 3.83Å; L83-F148 HydrophobicContact CD1-CE2 3.78Å; L83-F148 HydrophobicContact CD1-CG 3.63Å; L83-F148 HydrophobicContact CD1-CZ 3.87Å; L83-F148 HydrophobicContact CD2-CE1 4.48Å; L83-F148 HydrophobicContact CD2-CZ 4.2Å; L95-F148 HydrophobicContact CB-CD1 4.13Å; L95-F148 HydrophobicContact CD1-CD1 4.46Å; L146-F148 PolarHBondContact O-N 2.96Å; F148-R150 HydrophobicContact CE1-CB 3.87Å; F148-R150 HydrophobicContact CZ-CB 3.95Å; F148-T353 HydrophobicContact CZ-CG2 4.42Å; F148-F356 HydrophobicContact CD2-CZ 4.39Å; F148-F356 AromaticContact CE2-CE2 3.71Å; F148-F356 HydrophobicContact CE2-CE2 3.71Å; F148-F356 AromaticContact CE2-CZ 3.64Å; F148-F356 HydrophobicContact CE2-CZ 3.64Å; F148-F356 HydrophobicContact CZ-CE2 4.09Å; F148-F356 HydrophobicContact CZ-CZ 4.45Å
149	L	91.8	Very high	85	Confident	9 Å²	9	19.1 Å²	19.1	5%	0.047	9%	0.094	C	C	.	.			trans	-99.4	92.8	-176.7	-58.5	176.7	0	0	0	110.4	V130 D147 G151 G152 L199 L200 D201 K207 F356	V130-L149 HydrophobicContact CG2-CD1 4.31Å; D147-L149 HydrophobicContact CB-CD2 3.94Å; D147-L149 HydrophobicContact CB-CG 4.15Å; D147-L149 PolarHBondContact O-N 3.06Å; L149-G151 VanDerWaalsContact C-N 3.27Å; L149-G151 PolarHBondContact O-N 3.35Å; L149-G152 PolarHBondContact O-N 2.99Å; L149-L199 HydrophobicContact CB-CB 3.96Å; L149-L199 HydrophobicContact CB-CD1 4.26Å; L149-L199 HydrophobicContact CD1-CB 3.55Å; L149-L199 HydrophobicContact CD1-CD1 3.96Å; L149-L199 HydrophobicContact CD1-CG 4.31Å; L149-L199 HydrophobicContact CG-CB 4.42Å; L149-L200 CarbonylContact C-O 3.5Å; L149-D201 HydrophobicContact CD2-CB 4.05Å; L149-K207 HydrophobicContact CD1-CB 3.61Å; L149-K207 HydrophobicContact CD1-CD 4.14Å; L149-K207 HydrophobicContact CD1-CG 4.17Å; L149-K207 HydrophobicContact CD2-CD 3.77Å; L149-K207 HydrophobicContact CD2-CG 4.16Å; L149-F356 WeakPolarHBondContact O-CZ 3.44Å
150	R	86.1	Confident	84.4	Confident	58 Å²	58	16.4 Å²	16.4	22%	0.219	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-16.7	-169.1	69.2	176.6	69.3	172.3	12.2	115	F148 G152 E202 Y355	F148-R150 HydrophobicContact CE1-CB 3.87Å; F148-R150 HydrophobicContact CZ-CB 3.95Å; R150-G152 PolarHBondContact O-N 3.23Å; R150-E202 HydrophobicContact CG-CB 3.82Å; R150-E202 IonicContact CZ-OE2 2.81Å; R150-E202 IonicContact NE-OE2 3.63Å; R150-E202 IonicContact NH1-OE2 3.86Å; R150-E202 IonicContact NH2-OE2 3.72Å; R150-E202 PolarHBondContact NH2-OE2 3.09Å; R150-E202 VanDerWaalsContact NH2-OE2 3.08Å; R150-Y355 WeakPolarHBondContact O-CD2 3.46Å
151	G	83.7	Confident	83.4	Confident	5 Å²	5	16.7 Å²	16.7	5%	0.052	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-5.2	178.6	0	0	0	0	0	114	L149 L200 Y355	L149-G151 VanDerWaalsContact C-N 3.27Å; L149-G151 PolarHBondContact O-N 3.35Å; G151-L200 WeakPolarHBondContact CA-O 3.11Å; G151-L200 PolarHBondContact N-O 2.93Å; G151-Y355 WeakPolarHBondContact O-CB 3.31Å
152	G	87.4	Confident	82.2	Confident	1 Å²	1	20.6 Å²	20.6	1%	0.01	11%	0.105	C	C	.	.			trans	71.6	-168.7	179.5	0	0	0	0	0	112.6	L149 R150 L199 L200	L149-G152 PolarHBondContact O-N 2.99Å; R150-G152 PolarHBondContact O-N 3.23Å; G152-L199 CarbonylContact O-C 3.58Å; G152-L199 VanDerWaalsContact O-CA 3.28Å; G152-L199 WeakPolarHBondContact O-CA 3.38Å; G152-L200 PolarHBondContact O-N 3.12Å
153	D	87.6	Confident	81.4	Confident	32 Å²	32	22.5 Å²	22.5	17%	0.171	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-85.9	147.8	179.5	59.2	85.3	0	0	0	113.4	F155 T156 R157 L199	D153-F155 PolarHBondContact O-N 2.89Å; D153-F155 WeakPolarHBondContact OD1-CB 3.5Å; D153-F155 PolarHBondContact OD1-N 3.35Å; D153-T156 VanDerWaalsContact CG-OG1 3.3Å; D153-T156 PolarHBondContact O-N 3.33Å; D153-T156 VanDerWaalsContact OD1-CB 3.29Å; D153-T156 WeakPolarHBondContact OD1-CB 3.36Å; D153-T156 PolarHBondContact OD1-N 3.17Å; D153-T156 PolarHBondContact OD1-OG1 3.17Å; D153-T156 PolarHBondContact OD2-OG1 3.11Å; D153-R157 PolarHBondContact O-N 2.87Å; D153-L199 HydrophobicContact CB-CD2 3.54Å
154	L	88.3	Confident	80.7	Confident	2 Å²	2	22.2 Å²	22.2	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-62.3	-29.3	179.5	-165.8	68.2	0	0	0	111.6	R157 L158 F164 Y172 P195 I198 L200 M260	L154-R157 WeakPolarHBondContact O-CB 3.46Å; L154-R157 PolarHBondContact O-N 2.96Å; L154-L158 WeakPolarHBondContact O-CB 3.34Å; L154-L158 PolarHBondContact O-N 2.84Å; L154-F164 HydrophobicContact CD1-CE2 3.62Å; L154-F164 HydrophobicContact CD1-CZ 3.91Å; L154-F164 HydrophobicContact CD2-CE2 4.32Å; L154-F164 HydrophobicContact CG-CE2 3.89Å; L154-F164 HydrophobicContact CG-CZ 4.28Å; L154-Y172 HydrophobicContact CD1-CD2 4.5Å; L154-P195 HydrophobicContact CB-CB 4.25Å; L154-P195 WeakPolarHBondContact CB-O 3.1Å; L154-P195 PolarHBondContact N-O 3.49Å; L154-I198 HydrophobicContact CB-CB 4.08Å; L154-I198 HydrophobicContact CB-CG2 4.25Å; L154-I198 WeakPolarHBondContact CB-O 3.35Å; L154-I198 HydrophobicContact CD2-CB 4.25Å; L154-I198 HydrophobicContact CD2-CD1 4.19Å; L154-I198 HydrophobicContact CD2-CG2 4.05Å; L154-I198 PolarHBondContact N-O 2.64Å; L154-L200 HydrophobicContact CD1-CD1 4.38Å; L154-M260 HydrophobicContact CD2-SD 3.78Å
155	F	83.9	Confident	80	Confident	12 Å²	12	23 Å²	23	5%	0.053	12%	0.118	C	C	.	.	H	α-helix	trans	-60.8	-48.3	175.8	178.5	-93.3	0	0	0	112.4	D153 R157 L158 S159 P195 E196 L720	D153-F155 PolarHBondContact O-N 2.89Å; D153-F155 WeakPolarHBondContact OD1-CB 3.5Å; D153-F155 PolarHBondContact OD1-N 3.35Å; F155-R157 PolarHBondContact O-N 3.25Å; F155-L158 PolarHBondContact O-N 3.01Å; F155-S159 VanDerWaalsContact CE1-OG 3.3Å; F155-S159 WeakPolarHBondContact CE1-OG 3.36Å; F155-S159 VanDerWaalsContact O-CB 3.3Å; F155-S159 WeakPolarHBondContact O-CB 3.28Å; F155-S159 PolarHBondContact O-N 2.86Å; F155-S159 PolarHBondContact O-OG 3.26Å; F155-P195 HydrophobicContact CB-CB 3.87Å; F155-P195 PolarHBondContact N-O 2.99Å; F155-E196 HydrophobicContact CB-CG 3.85Å; F155-E196 HydrophobicContact CD2-CG 4.33Å; F155-E196 HydrophobicContact CG-CG 3.99Å; F155-L720 HydrophobicContact CE2-CD1 3.98Å; F155-L720 HydrophobicContact CZ-CD1 4.36Å
156	T	76.7	Confident	79.5	Confident	22 Å²	22	25.1 Å²	25.1	14%	0.135	13%	0.128	C	C	.	.	H	α-helix	trans	-59.8	-36.5	179.5	-67.2	0	0	0	0	110.1	D153 K160 R724	D153-T156 VanDerWaalsContact CG-OG1 3.3Å; D153-T156 PolarHBondContact O-N 3.33Å; D153-T156 VanDerWaalsContact OD1-CB 3.29Å; D153-T156 WeakPolarHBondContact OD1-CB 3.36Å; D153-T156 PolarHBondContact OD1-N 3.17Å; D153-T156 PolarHBondContact OD1-OG1 3.17Å; D153-T156 PolarHBondContact OD2-OG1 3.11Å; T156-K160 WeakPolarHBondContact O-CG 3.38Å; T156-K160 PolarHBondContact O-N 2.9Å; T156-R724 PolarHBondContact OG1-NH1 3.12Å
157	R	78.4	Confident	78.9	Confident	14 Å²	14	28.9 Å²	28.9	5%	0.053	15%	0.145	C	C	.	.	H	α-helix	trans	-70.7	-51.1	174.4	-174.1	177.9	172.1	-173.4	-11.2	113.1	D153 L154 F155 S159 K160 E161 F164 Y172	D153-R157 PolarHBondContact O-N 2.87Å; L154-R157 WeakPolarHBondContact O-CB 3.46Å; L154-R157 PolarHBondContact O-N 2.96Å; F155-R157 PolarHBondContact O-N 3.25Å; R157-S159 PolarHBondContact O-N 3.13Å; R157-K160 PolarHBondContact O-N 3.3Å; R157-E161 HydrophobicContact CG-CG 4.38Å; R157-E161 WeakPolarHBondContact CG-OE1 3.45Å; R157-E161 IonicContact CZ-OE1 2.73Å; R157-E161 IonicContact NE-OE1 3.8Å; R157-E161 PolarHBondContact NE-OE1 3.38Å; R157-E161 IonicContact NE-OE2 3.32Å; R157-E161 IonicContact NH2-OE1 2.85Å; R157-E161 PolarHBondContact NH2-OE1 3.48Å; R157-E161 IonicContact NH2-OE2 2.83Å; R157-E161 PolarHBondContact O-N 2.92Å; R157-F164 HydrophobicContact CB-CZ 4.29Å; R157-F164 HydrophobicContact CG-CE1 3.99Å; R157-F164 HydrophobicContact CG-CZ 3.96Å; R157-Y172 PolarHBondContact NH1-OH 3.27Å
158	L	72.4	Confident	78.4	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-55.7	-35.8	176.6	-175.4	60.5	0	0	0	110.8	L154 F155 K160 E161 V162 F164 E259 M260 L720	L154-L158 WeakPolarHBondContact O-CB 3.34Å; L154-L158 PolarHBondContact O-N 2.84Å; F155-L158 PolarHBondContact O-N 3.01Å; L158-K160 PolarHBondContact O-N 2.81Å; L158-E161 PolarHBondContact O-N 3.38Å; L158-V162 CarbonylContact O-C 3.17Å; L158-V162 WeakPolarHBondContact O-CA 3.37Å; L158-V162 PolarHBondContact O-N 2.74Å; L158-F164 HydrophobicContact CB-CE1 4.26Å; L158-F164 HydrophobicContact CB-CE2 4.47Å; L158-F164 HydrophobicContact CB-CZ 3.92Å; L158-F164 HydrophobicContact CD1-CD1 4.02Å; L158-F164 HydrophobicContact CD1-CD2 4.36Å; L158-F164 HydrophobicContact CD1-CE1 4.01Å; L158-F164 HydrophobicContact CD1-CE2 4.33Å; L158-F164 HydrophobicContact CD1-CG 4.19Å; L158-F164 HydrophobicContact CD1-CZ 4.16Å; L158-E259 HydrophobicContact CD2-CG 4.02Å; L158-M260 HydrophobicContact CD2-CG 4.4Å; L158-L720 HydrophobicContact CG-CD2 4.4Å
159	S	68.1	Low	78.4	Confident	16 Å²	16	26.9 Å²	26.9	11%	0.112	14%	0.135	C	C	.	.	H	α-helix	trans	-63.1	-37.7	174.3	-60.5	0	0	0	0	114.1	F155 R157 L720	F155-S159 VanDerWaalsContact CE1-OG 3.3Å; F155-S159 WeakPolarHBondContact CE1-OG 3.36Å; F155-S159 VanDerWaalsContact O-CB 3.3Å; F155-S159 WeakPolarHBondContact O-CB 3.28Å; F155-S159 PolarHBondContact O-N 2.86Å; F155-S159 PolarHBondContact O-OG 3.26Å; R157-S159 PolarHBondContact O-N 3.13Å; S159-L720 VanDerWaalsContact CA-CD2 3.49Å
160	K	63.7	Low	78.4	Confident	87 Å²	87	27 Å²	27	38%	0.378	14%	0.136	S	C	.	.	H	α-helix	trans	-78.2	-31.9	175.1	-71.9	-179.3	175	-172	0	112.3	T156 R157 L158 E459 R563	T156-K160 WeakPolarHBondContact O-CG 3.38Å; T156-K160 PolarHBondContact O-N 2.9Å; R157-K160 PolarHBondContact O-N 3.3Å; L158-K160 PolarHBondContact O-N 2.81Å; K160-E459 IonicContact NZ-OE1 3.94Å; K160-R563 PolarHBondContact O-NH2 3.15Å
161	E	58.4	Low	78.8	Confident	9 Å²	9	24.8 Å²	24.8	4%	0.042	13%	0.128	C	C	.	.	H	α-helix	trans	-91.1	-14.5	-174.9	-70.9	-177.3	-157	0	0	113.7	R157 L158 M163 F164 R563	R157-E161 HydrophobicContact CG-CG 4.38Å; R157-E161 WeakPolarHBondContact CG-OE1 3.45Å; R157-E161 IonicContact CZ-OE1 2.73Å; R157-E161 IonicContact NE-OE1 3.8Å; R157-E161 PolarHBondContact NE-OE1 3.38Å; R157-E161 IonicContact NE-OE2 3.32Å; R157-E161 IonicContact NH2-OE1 2.85Å; R157-E161 PolarHBondContact NH2-OE1 3.48Å; R157-E161 IonicContact NH2-OE2 2.83Å; R157-E161 PolarHBondContact O-N 2.92Å; L158-E161 PolarHBondContact O-N 3.38Å; E161-M163 PolarHBondContact O-N 2.92Å; E161-F164 HydrophobicContact CB-CD1 4.17Å; E161-F164 HydrophobicContact CB-CE1 3.96Å; E161-F164 HydrophobicContact CG-CE1 4.39Å; E161-F164 VanDerWaalsContact OE2-CD1 3.26Å; E161-F164 WeakPolarHBondContact OE2-CD1 3.21Å; E161-F164 WeakPolarHBondContact OE2-CE1 2.95Å; E161-R563 PolarHBondContact O-NH1 3.5Å; E161-R563 VanDerWaalsContact O-NH1 3.12Å
162	V	60.6	Low	79.4	Confident	94 Å²	94	24.7 Å²	24.7	57%	0.57	13%	0.126	S	C	*	.	S	Bend	trans	69	-52.5	-171.4	-173.1	0	0	0	0	112	L158 G263	L158-V162 CarbonylContact O-C 3.17Å; L158-V162 WeakPolarHBondContact O-CA 3.37Å; L158-V162 PolarHBondContact O-N 2.74Å; V162-G263 WeakPolarHBondContact O-CA 3.26Å
163	M	69.4	Low	79.9	Confident	39 Å²	39	24.7 Å²	24.7	19%	0.192	13%	0.125	C	C	.	.	S	Bend	trans	-153.4	164.2	173.5	62.7	-171.9	178.5	0	0	111.8	E161 M260 N566 L568	E161-M163 PolarHBondContact O-N 2.92Å; M163-M260 CarbonylContact C-O 3.56Å; M163-M260 WeakPolarHBondContact CA-O 3.46Å; M163-M260 WeakPolarHBondContact CB-O 3.25Å; M163-N566 HydrophobicContact CE-CB 4.12Å; M163-N566 WeakPolarHBondContact CE-O 3.42Å; M163-L568 WeakPolarHBondContact O-CD1 3.49Å; M163-L568 WeakPolarHBondContact O-CD2 3.18Å; M163-L568 VanDerWaalsContact O-CG 3.31Å; M163-L568 WeakPolarHBondContact O-CG 3.41Å
164	F	75.3	Confident	80.4	Confident	2 Å²	2	23.1 Å²	23.1	1%	0.009	12%	0.117	C	C	.	.			trans	-104.1	153.3	-177.7	-66.5	-14.8	0	0	0	114.2	L154 R157 L158 E161 D168 V169 Y172 M260 L568	L154-F164 HydrophobicContact CD1-CE2 3.62Å; L154-F164 HydrophobicContact CD1-CZ 3.91Å; L154-F164 HydrophobicContact CD2-CE2 4.32Å; L154-F164 HydrophobicContact CG-CE2 3.89Å; L154-F164 HydrophobicContact CG-CZ 4.28Å; R157-F164 HydrophobicContact CB-CZ 4.29Å; R157-F164 HydrophobicContact CG-CE1 3.99Å; R157-F164 HydrophobicContact CG-CZ 3.96Å; L158-F164 HydrophobicContact CB-CE1 4.26Å; L158-F164 HydrophobicContact CB-CE2 4.47Å; L158-F164 HydrophobicContact CB-CZ 3.92Å; L158-F164 HydrophobicContact CD1-CD1 4.02Å; L158-F164 HydrophobicContact CD1-CD2 4.36Å; L158-F164 HydrophobicContact CD1-CE1 4.01Å; L158-F164 HydrophobicContact CD1-CE2 4.33Å; L158-F164 HydrophobicContact CD1-CG 4.19Å; L158-F164 HydrophobicContact CD1-CZ 4.16Å; E161-F164 HydrophobicContact CB-CD1 4.17Å; E161-F164 HydrophobicContact CB-CE1 3.96Å; E161-F164 HydrophobicContact CG-CE1 4.39Å; E161-F164 VanDerWaalsContact OE2-CD1 3.26Å; E161-F164 WeakPolarHBondContact OE2-CD1 3.21Å; E161-F164 WeakPolarHBondContact OE2-CE1 2.95Å; F164-D168 HydrophobicContact CB-CB 4.32Å; F164-V169 HydrophobicContact CB-CG2 3.55Å; F164-Y172 HydrophobicContact CD2-CD2 4.4Å; F164-Y172 HydrophobicContact CE2-CD2 4.46Å; F164-M260 HydrophobicContact CB-CB 4.26Å; F164-M260 HydrophobicContact CD2-CB 3.87Å; F164-M260 HydrophobicContact CD2-CG 3.78Å; F164-M260 HydrophobicContact CD2-SD 3.72Å; F164-M260 HydrophobicContact CE2-CG 4.11Å; F164-M260 HydrophobicContact CE2-SD 3.95Å; F164-M260 HydrophobicContact CG-CB 4.4Å; F164-M260 PolarHBondContact N-O 2.83Å; F164-L568 HydrophobicContact CB-CD2 4.25Å; F164-L568 HydrophobicContact CD1-CD2 4.15Å; F164-L568 WeakPolarHBondContact O-CD1 3.48Å
165	T	75.4	Confident	80.9	Confident	17 Å²	17	23 Å²	23	10%	0.104	12%	0.117	C	C	.	.			trans	-73	158.4	180	69.3	0	0	0	0	108	E167 D168 V169 A564 L568	T165-E167 PolarHBondContact O-N 2.86Å; T165-E167 PolarHBondContact OG1-N 3.21Å; T165-D168 PolarHBondContact O-N 3.37Å; T165-D168 WeakPolarHBondContact OG1-CB 3.18Å; T165-D168 PolarHBondContact OG1-N 3.18Å; T165-D168 PolarHBondContact OG1-OD1 3.35Å; T165-V169 VanDerWaalsContact O-CB 3.25Å; T165-V169 WeakPolarHBondContact O-CB 3.37Å; T165-V169 VanDerWaalsContact O-CG2 3.23Å; T165-V169 WeakPolarHBondContact O-CG2 3.2Å; T165-V169 PolarHBondContact O-N 2.62Å; T165-A564 HydrophobicContact CG2-CB 4.48Å; T165-L568 VanDerWaalsContact CA-CD1 3.43Å; T165-L568 HydrophobicContact CG2-CB 3.15Å; T165-L568 HydrophobicContact CG2-CD1 3.47Å; T165-L568 VanDerWaalsContact CG2-CD1 3.47Å; T165-L568 HydrophobicContact CG2-CD2 3.84Å; T165-L568 HydrophobicContact CG2-CG 3.56Å
166	E	82.2	Confident	81.6	Confident	43 Å²	43	22.5 Å²	22.5	20%	0.201	11%	0.114	C	C	.	.	H	α-helix	trans	-59.7	-31.8	170.7	-69.5	-166.3	-165	0	0	112.8	K170 L261 L290 S291 F325	E166-K170 WeakPolarHBondContact O-CB 3.38Å; E166-K170 PolarHBondContact O-N 3.3Å; E166-L261 HydrophobicContact CB-CD2 4.43Å; E166-L261 HydrophobicContact CG-CD2 3.67Å; E166-L290 WeakPolarHBondContact OE1-CA 3.28Å; E166-S291 PolarHBondContact OE1-N 3.38Å; E166-S291 PolarHBondContact OE1-OG 3.21Å; E166-S291 WeakPolarHBondContact OE2-CB 3.49Å; E166-S291 PolarHBondContact OE2-OG 2.98Å; E166-F325 HydrophobicContact CB-CE2 4.25Å
167	E	81	Confident	82.6	Confident	91 Å²	91	21.5 Å²	21.5	43%	0.425	11%	0.108	S	C	.	.	H	α-helix	trans	-71.4	-41.6	175.8	-64.3	-58.1	142.1	0	0	112.1	T165 K170 F171	T165-E167 PolarHBondContact O-N 2.86Å; T165-E167 PolarHBondContact OG1-N 3.21Å; E167-K170 PolarHBondContact O-N 3.42Å; E167-K170 IonicContact OE1-NZ 3.71Å; E167-K170 PolarHBondContact OE1-NZ 3.33Å; E167-K170 IonicContact OE2-NZ 2.72Å; E167-K170 PolarHBondContact OE2-NZ 2.95Å; E167-F171 PolarHBondContact O-N 3.4Å
168	D	84.3	Confident	83.5	Confident	11 Å²	11	21.4 Å²	21.4	6%	0.059	11%	0.108	C	C	.	.	H	α-helix	trans	-66.1	-46	177.2	-63.5	2.9	0	0	0	110.3	F164 T165 K170 F171 Y172 P342 L568	F164-D168 HydrophobicContact CB-CB 4.32Å; T165-D168 PolarHBondContact O-N 3.37Å; T165-D168 WeakPolarHBondContact OG1-CB 3.18Å; T165-D168 PolarHBondContact OG1-N 3.18Å; T165-D168 PolarHBondContact OG1-OD1 3.35Å; D168-K170 VanDerWaalsContact C-N 3.33Å; D168-K170 PolarHBondContact O-N 3.28Å; D168-F171 PolarHBondContact O-N 3.21Å; D168-Y172 HydrophobicContact CB-CE2 4.31Å; D168-Y172 WeakPolarHBondContact O-CD2 3.24Å; D168-Y172 PolarHBondContact O-N 3.12Å; D168-P342 HydrophobicContact CB-CB 4.3Å; D168-P342 HydrophobicContact CB-CG 4.08Å; D168-P342 WeakPolarHBondContact OD1-CB 3.3Å; D168-L568 WeakPolarHBondContact OD2-CD2 3.39Å
169	V	90.9	Very high	84.7	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.4	-46.3	174.6	166.8	0	0	0	0	110	F164 T165 F171 Y172 L173 M257 M260 L261 F325	F164-V169 HydrophobicContact CB-CG2 3.55Å; T165-V169 VanDerWaalsContact O-CB 3.25Å; T165-V169 WeakPolarHBondContact O-CB 3.37Å; T165-V169 VanDerWaalsContact O-CG2 3.23Å; T165-V169 WeakPolarHBondContact O-CG2 3.2Å; T165-V169 PolarHBondContact O-N 2.62Å; V169-F171 VanDerWaalsContact C-N 3.32Å; V169-F171 PolarHBondContact O-N 2.78Å; V169-Y172 PolarHBondContact O-N 3.49Å; V169-L173 HydrophobicContact CG1-CD1 3.45Å; V169-L173 VanDerWaalsContact CG1-CD1 3.45Å; V169-L173 HydrophobicContact CG1-CG 3.93Å; V169-L173 WeakPolarHBondContact O-CB 3.43Å; V169-L173 WeakPolarHBondContact O-CG 3.32Å; V169-L173 PolarHBondContact O-N 2.87Å; V169-M257 HydrophobicContact CG1-CG 4.12Å; V169-M260 HydrophobicContact CB-CE 4.48Å; V169-M260 HydrophobicContact CG1-CE 4.03Å; V169-M260 HydrophobicContact CG2-CB 3.58Å; V169-M260 HydrophobicContact CG2-CE 4.23Å; V169-L261 HydrophobicContact CB-CD2 3.97Å; V169-L261 HydrophobicContact CB-CG 4.41Å; V169-L261 HydrophobicContact CG1-CD1 4.44Å; V169-L261 HydrophobicContact CG1-CD2 4.09Å; V169-L261 HydrophobicContact CG1-CG 4.07Å; V169-L261 HydrophobicContact CG2-CD2 3.69Å; V169-L261 HydrophobicContact CG2-CG 4.02Å; V169-F325 HydrophobicContact CG1-CE1 4.44Å; V169-F325 HydrophobicContact CG1-CZ 4.12Å
170	K	93.4	Very high	86	Confident	13 Å²	13	20.6 Å²	20.6	6%	0.057	10%	0.103	C	C	.	.	H	α-helix	trans	-59.7	-43	177.2	-175.9	-167.7	-49.3	171	0	111.9	E166 E167 D168 A174 F325 F326 I329	E166-K170 WeakPolarHBondContact O-CB 3.38Å; E166-K170 PolarHBondContact O-N 3.3Å; E167-K170 PolarHBondContact O-N 3.42Å; E167-K170 IonicContact OE1-NZ 3.71Å; E167-K170 PolarHBondContact OE1-NZ 3.33Å; E167-K170 IonicContact OE2-NZ 2.72Å; E167-K170 PolarHBondContact OE2-NZ 2.95Å; D168-K170 VanDerWaalsContact C-N 3.33Å; D168-K170 PolarHBondContact O-N 3.28Å; K170-A174 WeakPolarHBondContact O-CB 3.41Å; K170-A174 PolarHBondContact O-N 3.36Å; K170-F325 HydrophobicContact CB-CD1 4.37Å; K170-F325 HydrophobicContact CB-CE1 3.66Å; K170-F325 HydrophobicContact CB-CZ 3.88Å; K170-F325 WeakPolarHBondContact CD-O 3.42Å; K170-F325 WeakPolarHBondContact CE-O 3.34Å; K170-F325 HydrophobicContact CG-CD1 4.23Å; K170-F325 HydrophobicContact CG-CE1 4.02Å; K170-F326 HydrophobicContact CG-CD1 3.73Å; K170-F326 HydrophobicContact CG-CE1 4.15Å; K170-I329 HydrophobicContact CD-CD1 4.24Å; K170-I329 HydrophobicContact CD-CG1 4.05Å; K170-I329 HydrophobicContact CG-CD1 4.2Å; K170-I329 HydrophobicContact CG-CG1 3.92Å
171	F	93.8	Very high	87.6	Confident	11 Å²	11	19.2 Å²	19.2	5%	0.048	10%	0.1	C	C	.	.	H	α-helix	trans	-60.7	-57.8	175.9	-178.4	-87.7	0	0	0	111.4	E167 D168 V169 L173 A174 E175 H205 L334 I339 P341 P342	E167-F171 PolarHBondContact O-N 3.4Å; D168-F171 PolarHBondContact O-N 3.21Å; V169-F171 VanDerWaalsContact C-N 3.32Å; V169-F171 PolarHBondContact O-N 2.78Å; F171-L173 PolarHBondContact O-N 3.36Å; F171-A174 PolarHBondContact O-N 2.81Å; F171-A174 VanDerWaalsContact O-N 3.16Å; F171-E175 HydrophobicContact CE1-CG 4.18Å; F171-E175 VanDerWaalsContact CE1-OE1 3.23Å; F171-E175 WeakPolarHBondContact CE1-OE1 3.33Å; F171-E175 HydrophobicContact CZ-CG 4.44Å; F171-E175 WeakPolarHBondContact CZ-OE1 3.4Å; F171-E175 PolarHBondContact O-N 2.9Å; F171-E175 VanDerWaalsContact O-N 3.11Å; F171-H205 AromaticContact CZ-CE1 3.97Å; F171-H205 AromaticContact CZ-ND1 3.77Å; F171-L334 HydrophobicContact CD2-CD1 4.07Å; F171-L334 HydrophobicContact CE2-CD1 3.61Å; F171-L334 HydrophobicContact CZ-CD1 4.04Å; F171-I339 HydrophobicContact CD2-CG2 4.12Å; F171-I339 HydrophobicContact CE2-CB 4.1Å; F171-I339 HydrophobicContact CE2-CG2 3.74Å; F171-P341 HydrophobicContact CE1-CB 3.9Å; F171-P341 HydrophobicContact CE1-CG 4.22Å; F171-P341 HydrophobicContact CZ-CB 3.97Å; F171-P341 HydrophobicContact CZ-CG 3.93Å; F171-P342 HydrophobicContact CB-CG 4.32Å; F171-P342 HydrophobicContact CD1-CG 4.12Å; F171-P342 HydrophobicContact CG-CG 4.3Å
172	Y	96.3	Very high	89.3	Confident	3 Å²	3	21.4 Å²	21.4	1%	0.012	11%	0.11	C	C	.	.	H	α-helix	trans	-65.9	-36.7	-176.8	-64.6	-49.5	0	0	0	113.3	L154 R157 F164 D168 V169 A174 E175 L176 L200 I206 P342	L154-Y172 HydrophobicContact CD1-CD2 4.5Å; R157-Y172 PolarHBondContact NH1-OH 3.27Å; F164-Y172 HydrophobicContact CD2-CD2 4.4Å; F164-Y172 HydrophobicContact CE2-CD2 4.46Å; D168-Y172 HydrophobicContact CB-CE2 4.31Å; D168-Y172 WeakPolarHBondContact O-CD2 3.24Å; D168-Y172 PolarHBondContact O-N 3.12Å; V169-Y172 PolarHBondContact O-N 3.49Å; Y172-A174 VanDerWaalsContact C-N 3.35Å; Y172-E175 PolarHBondContact O-N 3.5Å; Y172-L176 VanDerWaalsContact O-CB 3.24Å; Y172-L176 WeakPolarHBondContact O-CB 3.19Å; Y172-L176 PolarHBondContact O-N 3.02Å; Y172-L200 HydrophobicContact CE1-CD2 3.93Å; Y172-I206 HydrophobicContact CD1-CG2 3.44Å; Y172-I206 VanDerWaalsContact CD1-CG2 3.44Å; Y172-I206 HydrophobicContact CE1-CG2 4.02Å; Y172-I206 HydrophobicContact CG-CG2 4.17Å; Y172-P342 HydrophobicContact CE1-CG 4.35Å; Y172-P342 HydrophobicContact CE2-CG 3.9Å; Y172-P342 WeakPolarHBondContact OH-CG 3.46Å
173	L	98.1	Very high	90.8	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-66.7	-37.2	174.8	-75.8	-173.7	0	0	0	111.7	V169 F171 L176 A177 Y253 L256 M257 M260 F325 F326	V169-L173 HydrophobicContact CG1-CD1 3.45Å; V169-L173 VanDerWaalsContact CG1-CD1 3.45Å; V169-L173 HydrophobicContact CG1-CG 3.93Å; V169-L173 WeakPolarHBondContact O-CB 3.43Å; V169-L173 WeakPolarHBondContact O-CG 3.32Å; V169-L173 PolarHBondContact O-N 2.87Å; F171-L173 PolarHBondContact O-N 3.36Å; L173-L176 HydrophobicContact CD2-CD2 4.26Å; L173-L176 PolarHBondContact O-N 3.13Å; L173-A177 WeakPolarHBondContact O-CB 3.39Å; L173-A177 PolarHBondContact O-N 2.89Å; L173-Y253 HydrophobicContact CB-CE1 4.4Å; L173-Y253 HydrophobicContact CB-CE2 4.15Å; L173-Y253 WeakPolarHBondContact CB-OH 3.45Å; L173-Y253 HydrophobicContact CD1-CE1 4.15Å; L173-Y253 HydrophobicContact CD2-CD1 4.36Å; L173-Y253 HydrophobicContact CD2-CD2 4.03Å; L173-Y253 HydrophobicContact CD2-CE1 4.06Å; L173-Y253 HydrophobicContact CD2-CE2 3.71Å; L173-Y253 HydrophobicContact CD2-CG 4.37Å; L173-Y253 HydrophobicContact CG-CE1 4.44Å; L173-Y253 HydrophobicContact CG-CE2 4.45Å; L173-Y253 WeakPolarHBondContact O-CE2 3.42Å; L173-Y253 PolarHBondContact O-OH 3.05Å; L173-L256 HydrophobicContact CD2-CD2 4.34Å; L173-M257 HydrophobicContact CD1-CB 3.6Å; L173-M257 HydrophobicContact CD1-CG 3.56Å; L173-M257 HydrophobicContact CD1-SD 3.94Å; L173-M257 HydrophobicContact CD2-CB 4.46Å; L173-M260 HydrophobicContact CD1-CE 4.34Å; L173-M260 HydrophobicContact CD2-CE 3.56Å; L173-M260 HydrophobicContact CG-CE 3.68Å; L173-F325 HydrophobicContact CD1-CE1 4.46Å; L173-F326 HydrophobicContact CB-CE1 4.01Å; L173-F326 HydrophobicContact CB-CZ 4.05Å
174	A	98.2	Very high	91.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65	-43	175.9	0	0	0	0	0	112	K170 F171 Y172 L176 A177 L178 F326 I329 W331 L334	K170-A174 WeakPolarHBondContact O-CB 3.41Å; K170-A174 PolarHBondContact O-N 3.36Å; F171-A174 PolarHBondContact O-N 2.81Å; F171-A174 VanDerWaalsContact O-N 3.16Å; Y172-A174 VanDerWaalsContact C-N 3.35Å; A174-L176 VanDerWaalsContact C-N 3.29Å; A174-L176 PolarHBondContact O-N 2.87Å; A174-A177 PolarHBondContact O-N 2.95Å; A174-L178 PolarHBondContact O-N 3.17Å; A174-F326 HydrophobicContact CB-CD1 4.06Å; A174-F326 HydrophobicContact CB-CE1 4.12Å; A174-I329 HydrophobicContact CB-CG1 4.28Å; A174-I329 HydrophobicContact CB-CG2 4.06Å; A174-W331 HydrophobicContact CB-CE3 4.43Å; A174-W331 HydrophobicContact CB-CH2 3.7Å; A174-W331 HydrophobicContact CB-CZ2 4.42Å; A174-W331 HydrophobicContact CB-CZ3 3.71Å; A174-W331 WeakPolarHBondContact O-CZ3 3.29Å; A174-L334 HydrophobicContact CB-CD2 3.36Å
175	E	98.3	Very high	92.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.4	-41.5	173.7	-65.1	-168	149.5	0	0	111.7	F128 F171 Y172 L178 A179 H205 I206 L334	F128-E175 HydrophobicContact CD1-CB 4.08Å; F128-E175 HydrophobicContact CD1-CG 4.21Å; F128-E175 HydrophobicContact CD2-CB 3.91Å; F128-E175 HydrophobicContact CD2-CG 4.34Å; F128-E175 WeakPolarHBondContact CD2-O 3.34Å; F128-E175 HydrophobicContact CE1-CB 4.18Å; F128-E175 VanDerWaalsContact CE1-CD 3.43Å; F128-E175 HydrophobicContact CE1-CG 3.81Å; F128-E175 WeakPolarHBondContact CE1-OE1 3.5Å; F128-E175 HydrophobicContact CE2-CB 4.04Å; F128-E175 HydrophobicContact CE2-CG 3.99Å; F128-E175 HydrophobicContact CG-CB 3.96Å; F128-E175 HydrophobicContact CG-CG 4.47Å; F128-E175 HydrophobicContact CZ-CB 4.15Å; F128-E175 HydrophobicContact CZ-CG 3.69Å; F171-E175 HydrophobicContact CE1-CG 4.18Å; F171-E175 VanDerWaalsContact CE1-OE1 3.23Å; F171-E175 WeakPolarHBondContact CE1-OE1 3.33Å; F171-E175 HydrophobicContact CZ-CG 4.44Å; F171-E175 WeakPolarHBondContact CZ-OE1 3.4Å; F171-E175 PolarHBondContact O-N 2.9Å; F171-E175 VanDerWaalsContact O-N 3.11Å; Y172-E175 PolarHBondContact O-N 3.5Å; E175-L178 PolarHBondContact O-N 3.31Å; E175-A179 PolarHBondContact O-N 3.44Å; E175-H205 IonicContact OE1-CE1 3.68Å; E175-H205 IonicContact OE1-CG 3.71Å; E175-H205 IonicContact OE1-ND1 3.66Å; E175-H205 PolarHBondContact OE1-ND1 3.04Å; E175-I206 HydrophobicContact CB-CD1 3.9Å; E175-I206 HydrophobicContact CB-CG1 3.51Å; E175-I206 HydrophobicContact CG-CG1 4.38Å; E175-I206 WeakPolarHBondContact OE2-CG1 3.31Å; E175-I206 PolarHBondContact OE2-N 3.02Å; E175-L334 HydrophobicContact CG-CD1 3.82Å; E175-L334 HydrophobicContact CG-CD2 4.07Å; E175-L334 HydrophobicContact CG-CG 4.04Å
176	L	98.1	Very high	93.3	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-68.1	-37.8	-179.8	-177.2	62.7	0	0	0	111.9	Y172 L173 A174 L178 A179 L180 L193 I198 I206 L208 Y253 L256	Y172-L176 VanDerWaalsContact O-CB 3.24Å; Y172-L176 WeakPolarHBondContact O-CB 3.19Å; Y172-L176 PolarHBondContact O-N 3.02Å; L173-L176 HydrophobicContact CD2-CD2 4.26Å; L173-L176 PolarHBondContact O-N 3.13Å; A174-L176 VanDerWaalsContact C-N 3.29Å; A174-L176 PolarHBondContact O-N 2.87Å; L176-L178 VanDerWaalsContact C-N 3.31Å; L176-L178 PolarHBondContact O-N 3.26Å; L176-A179 PolarHBondContact O-N 2.83Å; L176-L180 HydrophobicContact CD1-CG 4.47Å; L176-L180 HydrophobicContact CG-CD1 4.24Å; L176-L180 WeakPolarHBondContact O-CG 3.24Å; L176-L180 PolarHBondContact O-N 3.39Å; L176-L193 HydrophobicContact CD1-CD1 3.75Å; L176-L193 HydrophobicContact CD2-CD1 3.86Å; L176-L193 HydrophobicContact CD2-CD2 3.99Å; L176-L193 HydrophobicContact CD2-CG 4.41Å; L176-L193 HydrophobicContact CG-CD1 4.31Å; L176-I198 HydrophobicContact CD1-CD1 4.47Å; L176-I198 HydrophobicContact CD2-CD1 4.17Å; L176-I206 HydrophobicContact CB-CD1 3.77Å; L176-I206 HydrophobicContact CD1-CD1 4.17Å; L176-L208 HydrophobicContact CD1-CD1 4.13Å; L176-Y253 HydrophobicContact CB-CE2 4.2Å; L176-Y253 HydrophobicContact CD2-CD2 3.73Å; L176-Y253 HydrophobicContact CD2-CE2 4.04Å; L176-Y253 HydrophobicContact CG-CD2 4.08Å; L176-Y253 HydrophobicContact CG-CE2 4.15Å; L176-L256 HydrophobicContact CD2-CD2 3.39Å
177	A	98.1	Very high	93.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62	-39.8	175	0	0	0	0	0	111.2	L173 A174 L180 D181 W250 Y253 V317 W331	L173-A177 WeakPolarHBondContact O-CB 3.39Å; L173-A177 PolarHBondContact O-N 2.89Å; A174-A177 PolarHBondContact O-N 2.95Å; A177-L180 PolarHBondContact O-N 2.88Å; A177-D181 VanDerWaalsContact O-CB 3.26Å; A177-D181 WeakPolarHBondContact O-CB 3.25Å; A177-D181 PolarHBondContact O-N 2.81Å; A177-W250 HydrophobicContact CB-CH2 4.37Å; A177-W250 HydrophobicContact CB-CZ3 4.38Å; A177-Y253 HydrophobicContact CB-CE2 4.16Å; A177-V317 HydrophobicContact CB-CG2 4.11Å; A177-W331 HydrophobicContact CB-CH2 4.33Å; A177-W331 HydrophobicContact CB-CZ3 4.18Å
178	L	98.1	Very high	93.9	Very high	12 Å²	12	17.3 Å²	17.3	6%	0.063	11%	0.109	C	C	.	.	H	α-helix	trans	-64.7	-42.1	173.9	-69.4	171.2	0	0	0	111.9	H126 F128 A174 E175 L176 D181 H182 W331 L334 F335	H126-L178 PolarHBondContact NE2-O 3.3Å; F128-L178 HydrophobicContact CD2-CB 4.15Å; F128-L178 HydrophobicContact CD2-CD1 4.34Å; F128-L178 HydrophobicContact CE2-CB 4.43Å; F128-L178 HydrophobicContact CE2-CD1 3.8Å; A174-L178 PolarHBondContact O-N 3.17Å; E175-L178 PolarHBondContact O-N 3.31Å; L176-L178 VanDerWaalsContact C-N 3.31Å; L176-L178 PolarHBondContact O-N 3.26Å; L178-D181 PolarHBondContact O-N 3.24Å; L178-H182 PolarHBondContact O-N 2.97Å; L178-H182 VanDerWaalsContact O-N 3.12Å; L178-W331 HydrophobicContact CD1-CE3 4.21Å; L178-W331 HydrophobicContact CD2-CE3 3.99Å; L178-W331 HydrophobicContact CG-CE3 3.94Å; L178-W331 HydrophobicContact CG-CZ3 4.18Å; L178-L334 HydrophobicContact CD1-CB 4.46Å; L178-L334 HydrophobicContact CD1-CD2 4.02Å; L178-L334 HydrophobicContact CD1-CG 4.27Å; L178-F335 HydrophobicContact CD1-CB 4.13Å; L178-F335 HydrophobicContact CD1-CD2 4.46Å
179	A	97.2	Very high	94.2	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.1	-45.2	175.8	0	0	0	0	0	112.1	H126 F128 I129 E175 L176 H182 L183	H126-A179 PolarHBondContact CE1-N 3.15Å; F128-A179 HydrophobicContact CB-CB 4.08Å; I129-A179 HydrophobicContact CD1-CB 4.26Å; I129-A179 HydrophobicContact CG1-CB 3.9Å; E175-A179 PolarHBondContact O-N 3.44Å; L176-A179 PolarHBondContact O-N 2.83Å; A179-H182 PolarHBondContact O-N 2.82Å; A179-L183 WeakPolarHBondContact O-CG 3.23Å; A179-L183 PolarHBondContact O-N 2.96Å
180	L	96.3	Very high	94.3	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-66.7	-40.9	178.5	-70.7	174.7	0	0	0	112	L176 A177 H182 L183 H184 L193 D249 W250 Y253	L176-L180 HydrophobicContact CD1-CG 4.47Å; L176-L180 HydrophobicContact CG-CD1 4.24Å; L176-L180 WeakPolarHBondContact O-CG 3.24Å; L176-L180 PolarHBondContact O-N 3.39Å; A177-L180 PolarHBondContact O-N 2.88Å; L180-H182 VanDerWaalsContact C-N 3.33Å; L180-H182 PolarHBondContact O-N 3.5Å; L180-L183 PolarHBondContact O-N 2.9Å; L180-H184 WeakPolarHBondContact O-CB 3.42Å; L180-H184 PolarHBondContact O-CD2 3.36Å; L180-H184 PolarHBondContact O-N 2.79Å; L180-L193 HydrophobicContact CD1-CD2 4.29Å; L180-D249 HydrophobicContact CD2-CB 4.25Å; L180-W250 HydrophobicContact CB-CH2 3.95Å; L180-W250 HydrophobicContact CB-CZ3 4.34Å; L180-W250 HydrophobicContact CD1-CE3 4.2Å; L180-W250 HydrophobicContact CD1-CH2 4.23Å; L180-W250 HydrophobicContact CD1-CZ3 3.77Å; L180-Y253 HydrophobicContact CD1-CD2 3.96Å
181	D	95.6	Very high	94.1	Very high	57 Å²	57	17.8 Å²	17.8	31%	0.305	11%	0.11	S	C	.	.	H	α-helix	trans	-55.7	-47.3	174.9	-175.6	36	0	0	0	111.6	A177 L178 L183 H184 G185 V317 K321	A177-D181 VanDerWaalsContact O-CB 3.26Å; A177-D181 WeakPolarHBondContact O-CB 3.25Å; A177-D181 PolarHBondContact O-N 2.81Å; L178-D181 PolarHBondContact O-N 3.24Å; D181-L183 PolarHBondContact O-N 2.99Å; D181-H184 PolarHBondContact O-N 2.9Å; D181-G185 PolarHBondContact O-N 3.2Å; D181-V317 HydrophobicContact CB-CB 3.99Å; D181-V317 HydrophobicContact CB-CG1 3.75Å; D181-V317 HydrophobicContact CB-CG2 4.14Å; D181-V317 WeakPolarHBondContact OD1-CG1 3.43Å; D181-V317 VanDerWaalsContact OD2-CG1 3.29Å; D181-V317 WeakPolarHBondContact OD2-CG1 3.21Å; D181-K321 IonicContact OD2-NZ 3.52Å; D181-K321 PolarHBondContact OD2-NZ 3.3Å
182	H	94.8	Very high	93.8	Very high	56 Å²	56	17.7 Å²	17.7	26%	0.259	11%	0.11	S	C	.	.	H	α-helix	trans	-60.5	-44.9	177	-177.5	69.7	0	0	0	112.4	H126 L178 A179 L180 G185 L186	H126-H182 AromaticContact CD2-CG 3.77Å; L178-H182 PolarHBondContact O-N 2.97Å; L178-H182 VanDerWaalsContact O-N 3.12Å; A179-H182 PolarHBondContact O-N 2.82Å; L180-H182 VanDerWaalsContact C-N 3.33Å; L180-H182 PolarHBondContact O-N 3.5Å; H182-G185 PolarHBondContact O-N 2.7Å; H182-L186 WeakPolarHBondContact O-CG 3.44Å; H182-L186 PolarHBondContact O-N 3.42Å
183	L	93.1	Very high	93.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.4	-45.4	177.3	-67.8	172.5	0	0	0	112	V124 I129 A179 L180 D181 G185 L186 G187 I188 Y190 L208 F211	V124-L183 HydrophobicContact CG1-CD2 4.35Å; V124-L183 HydrophobicContact CG2-CD2 3.69Å; I129-L183 HydrophobicContact CD1-CD1 4.16Å; I129-L183 HydrophobicContact CD1-CD2 3.9Å; I129-L183 HydrophobicContact CD1-CG 3.79Å; A179-L183 WeakPolarHBondContact O-CG 3.23Å; A179-L183 PolarHBondContact O-N 2.96Å; L180-L183 PolarHBondContact O-N 2.9Å; D181-L183 PolarHBondContact O-N 2.99Å; L183-G185 VanDerWaalsContact C-N 3.3Å; L183-G185 PolarHBondContact O-N 3.14Å; L183-L186 CarbonylContact O-C 3.44Å; L183-L186 PolarHBondContact O-N 3.25Å; L183-L186 VanDerWaalsContact O-N 3.09Å; L183-G187 PolarHBondContact O-N 2.85Å; L183-I188 CarbonylContact C-O 3.59Å; L183-I188 HydrophobicContact CB-CB 4.31Å; L183-I188 HydrophobicContact CD2-CB 4.44Å; L183-I188 HydrophobicContact CD2-CD1 4.35Å; L183-I188 HydrophobicContact CD2-CG2 4.28Å; L183-I188 WeakPolarHBondContact O-CB 3.22Å; L183-I188 PolarHBondContact O-N 2.79Å; L183-Y190 HydrophobicContact CD1-CD2 4.28Å; L183-L208 HydrophobicContact CD1-CD2 3.88Å; L183-F211 HydrophobicContact CD1-CE1 3.79Å; L183-F211 HydrophobicContact CD1-CZ 4.43Å; L183-F211 HydrophobicContact CD2-CE1 3.78Å; L183-F211 HydrophobicContact CG-CE1 4.45Å
184	H	92.3	Very high	93.3	Very high	30 Å²	30	18.9 Å²	18.9	14%	0.139	12%	0.115	C	C	.	.	H	α-helix	trans	-64.8	-35.8	179.8	-64.8	173.8	0	0	0	111.4	L180 D181 L186 G187 I188 H246 D249 W250	L180-H184 WeakPolarHBondContact O-CB 3.42Å; L180-H184 PolarHBondContact O-CD2 3.36Å; L180-H184 PolarHBondContact O-N 2.79Å; D181-H184 PolarHBondContact O-N 2.9Å; H184-L186 PolarHBondContact O-N 3.44Å; H184-G187 PolarHBondContact O-N 3.44Å; H184-I188 PolarHBondContact CD2-O 2.87Å; H184-H246 HydrophobicContact CB-CB 4.37Å; H184-H246 AromaticContact ND1-CD2 3.98Å; H184-D249 IonicContact CD2-OD2 3.37Å; H184-D249 IonicContact CE1-OD2 3.76Å; H184-D249 IonicContact NE2-OD2 3.47Å; H184-D249 PolarHBondContact NE2-OD2 2.99Å; H184-W250 AromaticContact ND1-CZ2 3.96Å
185	G	90.3	Very high	92.9	Very high	68 Å²	68	18.9 Å²	18.9	70%	0.701	12%	0.115	S	C	*	.	H	α-helix	trans	-63.1	-27	172.8	0	0	0	0	0	114	D181 H182 L183 G187	D181-G185 PolarHBondContact O-N 3.2Å; H182-G185 PolarHBondContact O-N 2.7Å; L183-G185 VanDerWaalsContact C-N 3.3Å; L183-G185 PolarHBondContact O-N 3.14Å; G185-G187 VanDerWaalsContact C-N 3.32Å
186	L	89.1	Confident	92.4	Very high	79 Å²	79	21.1 Å²	21.1	41%	0.414	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	2.8	171.5	-62.8	174.3	0	0	0	113	V124 H182 L183 H184 I188	V124-L186 HydrophobicContact CG2-CD1 3.94Å; H182-L186 WeakPolarHBondContact O-CG 3.44Å; H182-L186 PolarHBondContact O-N 3.42Å; L183-L186 CarbonylContact O-C 3.44Å; L183-L186 PolarHBondContact O-N 3.25Å; L183-L186 VanDerWaalsContact O-N 3.09Å; H184-L186 PolarHBondContact O-N 3.44Å; L186-I188 VanDerWaalsContact C-N 3.29Å; L186-I188 HydrophobicContact CB-CD1 3.88Å; L186-I188 HydrophobicContact CB-CG1 4.14Å; L186-I188 HydrophobicContact CD1-CD1 4.25Å; L186-I188 PolarHBondContact O-N 2.92Å
187	G	87.6	Confident	92.1	Very high	23 Å²	23	21.6 Å²	21.6	24%	0.237	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	16.1	-176.2	0	0	0	0	0	114.1	L183 H184 G185 E216 S217	L183-G187 PolarHBondContact O-N 2.85Å; H184-G187 PolarHBondContact O-N 3.44Å; G185-G187 VanDerWaalsContact C-N 3.32Å; G187-E216 CarbonylContact O-C 3.55Å; G187-E216 WeakPolarHBondContact O-CA 3.28Å; G187-S217 PolarHBondContact O-N 3.12Å; G187-S217 PolarHBondContact O-OG 3.19Å
188	I	89.1	Confident	92	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	123.3	-177.8	-59.5	166.6	0	0	0	109.4	I120 V124 L183 H184 L186 E216	I120-I188 HydrophobicContact CD1-CG2 4.14Å; I120-I188 HydrophobicContact CG1-CD1 4.19Å; I120-I188 HydrophobicContact CG2-CD1 3.99Å; I120-I188 HydrophobicContact CG2-CG2 4.49Å; V124-I188 HydrophobicContact CG2-CD1 4.15Å; L183-I188 CarbonylContact C-O 3.59Å; L183-I188 HydrophobicContact CB-CB 4.31Å; L183-I188 HydrophobicContact CD2-CB 4.44Å; L183-I188 HydrophobicContact CD2-CD1 4.35Å; L183-I188 HydrophobicContact CD2-CG2 4.28Å; L183-I188 WeakPolarHBondContact O-CB 3.22Å; L183-I188 PolarHBondContact O-N 2.79Å; H184-I188 PolarHBondContact CD2-O 2.87Å; L186-I188 VanDerWaalsContact C-N 3.29Å; L186-I188 HydrophobicContact CB-CD1 3.88Å; L186-I188 HydrophobicContact CB-CG1 4.14Å; L186-I188 HydrophobicContact CD1-CD1 4.25Å; L186-I188 PolarHBondContact O-N 2.92Å; I188-E216 HydrophobicContact CG1-CG 4.15Å
189	I	90.5	Very high	91.8	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.5	172	-47.9	171.4	0	0	0	108.5	R191 S214 K215 A224 H246	I189-R191 HydrophobicContact CB-CG 4.02Å; I189-R191 HydrophobicContact CG2-CG 3.41Å; I189-R191 VanDerWaalsContact CG2-CG 3.41Å; I189-S214 VanDerWaalsContact O-CA 3.28Å; I189-S214 WeakPolarHBondContact O-CA 3.24Å; I189-K215 PolarHBondContact N-O 2.83Å; I189-K215 PolarHBondContact O-N 2.74Å; I189-A224 HydrophobicContact CD1-CB 4.25Å; I189-H246 HydrophobicContact CG1-CB 4.47Å
190	Y	91.6	Very high	91.5	Very high	1 Å²	1	22.9 Å²	22.9	0%	0.004	14%	0.135	C	C	.	.			trans	-78.1	-48.3	-171.4	-179.7	-110.6	0	0	0	113.3	L183 D192 L193 N197 L208 T209 F211 S214 D249	L183-Y190 HydrophobicContact CD1-CD2 4.28Å; Y190-D192 VanDerWaalsContact C-N 3.27Å; Y190-D192 VanDerWaalsContact CE1-O 3.3Å; Y190-D192 WeakPolarHBondContact CE1-O 3.37Å; Y190-D192 PolarHBondContact O-N 2.83Å; Y190-D192 VanDerWaalsContact O-N 3.14Å; Y190-L193 HydrophobicContact CD1-CB 3.99Å; Y190-L193 HydrophobicContact CD1-CD1 4.38Å; Y190-L193 HydrophobicContact CE1-CB 4.05Å; Y190-L193 HydrophobicContact CE1-CD1 4.12Å; Y190-N197 VanDerWaalsContact OH-CB 3.23Å; Y190-N197 WeakPolarHBondContact OH-CB 3.17Å; Y190-L208 HydrophobicContact CD1-CD1 4.48Å; Y190-L208 HydrophobicContact CD1-CD2 4.1Å; Y190-L208 HydrophobicContact CD2-CD2 3.67Å; Y190-L208 HydrophobicContact CD2-CG 4.28Å; Y190-L208 HydrophobicContact CE1-CD1 3.71Å; Y190-L208 HydrophobicContact CE1-CD2 4.02Å; Y190-L208 HydrophobicContact CE1-CG 4.11Å; Y190-L208 HydrophobicContact CE2-CD1 4.19Å; Y190-L208 HydrophobicContact CE2-CD2 3.62Å; Y190-L208 HydrophobicContact CE2-CG 3.69Å; Y190-L208 HydrophobicContact CG-CD2 3.92Å; Y190-L208 WeakPolarHBondContact OH-CD1 3.47Å; Y190-T209 PolarHBondContact OH-O 2.85Å; Y190-F211 HydrophobicContact CD2-CD1 4.07Å; Y190-F211 AromaticContact CD2-CE1 3.93Å; Y190-F211 HydrophobicContact CD2-CE1 3.93Å; Y190-F211 HydrophobicContact CE2-CD1 4.17Å; Y190-F211 HydrophobicContact CE2-CE1 4.08Å; Y190-F211 HydrophobicContact CE2-CZ 4.38Å; Y190-S214 WeakPolarHBondContact CD2-OG 3.34Å; Y190-S214 PolarHBondContact O-OG 3.1Å; Y190-D249 PolarHBondContact N-OD2 2.82Å
191	R	89.4	Confident	91.3	Very high	29 Å²	29	23.4 Å²	23.4	11%	0.109	14%	0.138	C	C	.	.			trans	67.2	-4.3	168.8	-51.5	-170.8	-63.6	174.5	1.6	118.9	I189 L213 K215 C228 H244 D249	I189-R191 HydrophobicContact CB-CG 4.02Å; I189-R191 HydrophobicContact CG2-CG 3.41Å; I189-R191 VanDerWaalsContact CG2-CG 3.41Å; R191-L213 PolarHBondContact NE-O 2.81Å; R191-L213 PolarHBondContact NH2-O 2.92Å; R191-K215 VanDerWaalsContact CZ-CB 3.48Å; R191-C228 VanDerWaalsContact CZ-SG 3.5Å; R191-H244 WeakPolarHBondContact CD-NE2 3.38Å; R191-D249 WeakPolarHBondContact CA-OD1 3.16Å; R191-D249 PolarHBondContact N-OD1 2.88Å
192	D	88.4	Confident	90.9	Very high	8 Å²	8	26.1 Å²	26.1	4%	0.043	15%	0.149	C	C	.	.			trans	-133.6	47.3	176.8	-160.8	37	0	0	0	112	Y190 K194 N197 L213 T230	Y190-D192 VanDerWaalsContact C-N 3.27Å; Y190-D192 VanDerWaalsContact CE1-O 3.3Å; Y190-D192 WeakPolarHBondContact CE1-O 3.37Å; Y190-D192 PolarHBondContact O-N 2.83Å; Y190-D192 VanDerWaalsContact O-N 3.14Å; D192-K194 PolarHBondContact O-N 3.37Å; D192-K194 IonicContact OD1-NZ 3.06Å; D192-K194 PolarHBondContact OD1-NZ 2.77Å; D192-K194 IonicContact OD2-NZ 3.64Å; D192-K194 PolarHBondContact OD2-NZ 2.9Å; D192-N197 PolarHBondContact O-ND2 3Å; D192-N197 PolarHBondContact OD2-ND2 2.72Å; D192-L213 HydrophobicContact CB-CB 4.24Å; D192-L213 HydrophobicContact CB-CD1 3.95Å; D192-T230 PolarHBondContact OD1-N 3.17Å; D192-T230 PolarHBondContact OD1-OG1 3.47Å
193	L	93.6	Very high	90.4	Very high	1 Å²	1	25 Å²	25	1%	0.005	15%	0.149	C	C	.	.			trans	-74.3	116	176.4	-170.8	68	0	0	0	111.1	L176 L180 Y190 I198 L208 Y233 L256	L176-L193 HydrophobicContact CD1-CD1 3.75Å; L176-L193 HydrophobicContact CD2-CD1 3.86Å; L176-L193 HydrophobicContact CD2-CD2 3.99Å; L176-L193 HydrophobicContact CD2-CG 4.41Å; L176-L193 HydrophobicContact CG-CD1 4.31Å; L180-L193 HydrophobicContact CD1-CD2 4.29Å; Y190-L193 HydrophobicContact CD1-CB 3.99Å; Y190-L193 HydrophobicContact CD1-CD1 4.38Å; Y190-L193 HydrophobicContact CE1-CB 4.05Å; Y190-L193 HydrophobicContact CE1-CD1 4.12Å; L193-I198 HydrophobicContact CD1-CD1 4.05Å; L193-I198 HydrophobicContact CD1-CG1 4.43Å; L193-L208 HydrophobicContact CD1-CD1 3.97Å; L193-Y233 WeakPolarHBondContact O-CD1 3.39Å; L193-L256 HydrophobicContact CD1-CD2 4.47Å; L193-L256 HydrophobicContact CD2-CD2 4.44Å; L193-L256 HydrophobicContact CG-CD2 4.34Å
194	K	90.3	Very high	90.2	Very high	27 Å²	27	25 Å²	25	12%	0.117	15%	0.149	C	C	.	.	S	Bend	trans	-161.1	157.5	179.3	65.6	-170.1	-174.7	-143.3	0	109.7	D192 E196 N197 T230 Y233	D192-K194 PolarHBondContact O-N 3.37Å; D192-K194 IonicContact OD1-NZ 3.06Å; D192-K194 PolarHBondContact OD1-NZ 2.77Å; D192-K194 IonicContact OD2-NZ 3.64Å; D192-K194 PolarHBondContact OD2-NZ 2.9Å; K194-E196 WeakPolarHBondContact CB-OE2 3.48Å; K194-E196 HydrophobicContact CD-CB 4.47Å; K194-E196 WeakPolarHBondContact CD-OE2 3.26Å; K194-E196 HydrophobicContact CG-CB 4.28Å; K194-E196 WeakPolarHBondContact CG-OE2 3.36Å; K194-E196 PolarHBondContact O-N 3.35Å; K194-E196 VanDerWaalsContact O-N 3.15Å; K194-N197 VanDerWaalsContact CE-CG 3.5Å; K194-N197 WeakPolarHBondContact CE-ND2 3.4Å; K194-N197 WeakPolarHBondContact CE-OD1 3.47Å; K194-N197 HydrophobicContact CG-CB 4.28Å; K194-N197 PolarHBondContact O-N 3.41Å; K194-N197 VanDerWaalsContact O-N 3.07Å; K194-T230 WeakPolarHBondContact CD-OG1 3.36Å; K194-Y233 HydrophobicContact CB-CD1 4.41Å; K194-Y233 HydrophobicContact CB-CD2 4.28Å; K194-Y233 HydrophobicContact CB-CE1 4.2Å; K194-Y233 HydrophobicContact CB-CE2 4.1Å; K194-Y233 HydrophobicContact CB-CG 4.43Å
195	P	88.6	Confident	90.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-61.7	-24.8	-176	-11.3	18.1	0	0	0	113.7	L154 F155 N197 I198 Y233 L256 E259	L154-P195 HydrophobicContact CB-CB 4.25Å; L154-P195 WeakPolarHBondContact CB-O 3.1Å; L154-P195 PolarHBondContact N-O 3.49Å; F155-P195 HydrophobicContact CB-CB 3.87Å; F155-P195 PolarHBondContact N-O 2.99Å; P195-N197 VanDerWaalsContact C-N 3.29Å; P195-N197 PolarHBondContact O-N 2.8Å; P195-I198 PolarHBondContact O-N 3.39Å; P195-Y233 WeakPolarHBondContact CD-OH 3.48Å; P195-L256 HydrophobicContact CB-CD1 4.15Å; P195-L256 HydrophobicContact CG-CD1 3.57Å; P195-E259 WeakPolarHBondContact CG-OE2 3.44Å
196	E	88.1	Confident	90.6	Very high	48 Å²	48	20.7 Å²	20.7	22%	0.224	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-68.4	-26	177	-58.4	95	139.7	0	0	113.5	F155 K194 K727	F155-E196 HydrophobicContact CB-CG 3.85Å; F155-E196 HydrophobicContact CD2-CG 4.33Å; F155-E196 HydrophobicContact CG-CG 3.99Å; K194-E196 WeakPolarHBondContact CB-OE2 3.48Å; K194-E196 HydrophobicContact CD-CB 4.47Å; K194-E196 WeakPolarHBondContact CD-OE2 3.26Å; K194-E196 HydrophobicContact CG-CB 4.28Å; K194-E196 WeakPolarHBondContact CG-OE2 3.36Å; K194-E196 PolarHBondContact O-N 3.35Å; K194-E196 VanDerWaalsContact O-N 3.15Å; E196-K727 IonicContact OE1-NZ 3.18Å; E196-K727 PolarHBondContact OE1-NZ 2.71Å
197	N	92.3	Very high	90.9	Very high	10 Å²	10	18.3 Å²	18.3	5%	0.053	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-97.1	9.2	-179.8	-67.2	-2.5	0	0	0	112.6	Y190 D192 K194 P195 T209	Y190-N197 VanDerWaalsContact OH-CB 3.23Å; Y190-N197 WeakPolarHBondContact OH-CB 3.17Å; D192-N197 PolarHBondContact O-ND2 3Å; D192-N197 PolarHBondContact OD2-ND2 2.72Å; K194-N197 VanDerWaalsContact CE-CG 3.5Å; K194-N197 WeakPolarHBondContact CE-ND2 3.4Å; K194-N197 WeakPolarHBondContact CE-OD1 3.47Å; K194-N197 HydrophobicContact CG-CB 4.28Å; K194-N197 PolarHBondContact O-N 3.41Å; K194-N197 VanDerWaalsContact O-N 3.07Å; P195-N197 VanDerWaalsContact C-N 3.29Å; P195-N197 PolarHBondContact O-N 2.8Å; N197-T209 WeakPolarHBondContact O-CG2 3.42Å; N197-T209 PolarHBondContact O-N 2.76Å
198	I	95.2	Very high	91.3	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	110.3	176.3	-58	170.7	0	0	0	106.7	L154 L176 L193 P195 I206 L208 L256	L154-I198 HydrophobicContact CB-CB 4.08Å; L154-I198 HydrophobicContact CB-CG2 4.25Å; L154-I198 WeakPolarHBondContact CB-O 3.35Å; L154-I198 HydrophobicContact CD2-CB 4.25Å; L154-I198 HydrophobicContact CD2-CD1 4.19Å; L154-I198 HydrophobicContact CD2-CG2 4.05Å; L154-I198 PolarHBondContact N-O 2.64Å; L176-I198 HydrophobicContact CD1-CD1 4.47Å; L176-I198 HydrophobicContact CD2-CD1 4.17Å; L193-I198 HydrophobicContact CD1-CD1 4.05Å; L193-I198 HydrophobicContact CD1-CG1 4.43Å; P195-I198 PolarHBondContact O-N 3.39Å; I198-I206 HydrophobicContact CG2-CB 3.64Å; I198-I206 HydrophobicContact CG2-CD1 4.11Å; I198-I206 HydrophobicContact CG2-CG1 4.5Å; I198-I206 HydrophobicContact CG2-CG2 3.55Å; I198-L208 HydrophobicContact CG1-CD1 4.07Å; I198-L256 HydrophobicContact CD1-CD1 4.27Å; I198-L256 HydrophobicContact CD1-CD2 3.41Å; I198-L256 VanDerWaalsContact CD1-CD2 3.41Å; I198-L256 HydrophobicContact CD1-CG 4.48Å
199	L	94.3	Very high	91.4	Very high	37 Å²	37	18.2 Å²	18.2	19%	0.194	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	157.1	-179.1	-59.1	-171.8	0	0	0	110.7	L149 G152 D153 I206 K207 T209	L149-L199 HydrophobicContact CB-CB 3.96Å; L149-L199 HydrophobicContact CB-CD1 4.26Å; L149-L199 HydrophobicContact CD1-CB 3.55Å; L149-L199 HydrophobicContact CD1-CD1 3.96Å; L149-L199 HydrophobicContact CD1-CG 4.31Å; L149-L199 HydrophobicContact CG-CB 4.42Å; G152-L199 CarbonylContact O-C 3.58Å; G152-L199 VanDerWaalsContact O-CA 3.28Å; G152-L199 WeakPolarHBondContact O-CA 3.38Å; D153-L199 HydrophobicContact CB-CD2 3.54Å; L199-I206 CarbonylContact O-C 3.51Å; L199-I206 VanDerWaalsContact O-CA 3.29Å; L199-I206 WeakPolarHBondContact O-CA 3.49Å; L199-K207 PolarHBondContact N-O 3.09Å; L199-K207 PolarHBondContact O-N 3.06Å; L199-T209 HydrophobicContact CD1-CG2 3.83Å; L199-T209 HydrophobicContact CG-CG2 3.74Å
200	L	92.1	Very high	91.1	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	135.4	177.6	-66.1	164.5	0	0	0	110.7	L149 G151 G152 L154 Y172 G204 H205 I206 F343	L149-L200 CarbonylContact C-O 3.5Å; G151-L200 WeakPolarHBondContact CA-O 3.11Å; G151-L200 PolarHBondContact N-O 2.93Å; G152-L200 PolarHBondContact O-N 3.12Å; L154-L200 HydrophobicContact CD1-CD1 4.38Å; Y172-L200 HydrophobicContact CE1-CD2 3.93Å; L200-G204 VanDerWaalsContact CD2-O 3.31Å; L200-G204 WeakPolarHBondContact CD2-O 3.33Å; L200-H205 WeakPolarHBondContact CA-O 3.32Å; L200-I206 HydrophobicContact CD2-CG2 3.7Å; L200-F343 HydrophobicContact CD1-CD1 4.42Å; L200-F343 HydrophobicContact CD1-CE1 4.35Å
201	D	90.8	Very high	90.7	Very high	12 Å²	12	20.6 Å²	20.6	6%	0.064	11%	0.105	C	C	.	.			trans	-77.5	-176	170.8	75.4	13	0	0	0	112.2	L149 A203 G204 H205 R337 P345	L149-D201 HydrophobicContact CD2-CB 4.05Å; D201-A203 VanDerWaalsContact C-N 3.28Å; D201-A203 PolarHBondContact O-N 3.11Å; D201-A203 WeakPolarHBondContact OD1-CA 3.37Å; D201-A203 WeakPolarHBondContact OD1-CB 3.35Å; D201-A203 PolarHBondContact OD1-N 3.07Å; D201-G204 PolarHBondContact O-N 2.74Å; D201-G204 PolarHBondContact OD1-N 2.97Å; D201-H205 PolarHBondContact N-O 2.99Å; D201-H205 PolarHBondContact OD1-N 2.86Å; D201-H205 IonicContact OD2-CD2 2.63Å; D201-R337 IonicContact OD2-CZ 2.74Å; D201-R337 IonicContact OD2-NE 2.83Å; D201-R337 IonicContact OD2-NH2 2.99Å; D201-R337 PolarHBondContact OD2-NH2 2.84Å; D201-P345 WeakPolarHBondContact O-CG 3.43Å
202	E	86.5	Confident	89.8	Confident	113 Å²	113	19.9 Å²	19.9	53%	0.528	11%	0.106	S	C	.	.	S	Bend	trans	-69.8	-20.7	-178.9	68.5	-178.2	-179.4	0	0	115	R150	R150-E202 HydrophobicContact CG-CB 3.82Å; R150-E202 IonicContact CZ-OE2 2.81Å; R150-E202 IonicContact NE-OE2 3.63Å; R150-E202 IonicContact NH1-OE2 3.86Å; R150-E202 IonicContact NH2-OE2 3.72Å; R150-E202 PolarHBondContact NH2-OE2 3.09Å; R150-E202 VanDerWaalsContact NH2-OE2 3.08Å
203	A	85.7	Confident	89	Confident	32 Å²	32	21.1 Å²	21.1	26%	0.264	11%	0.113	S	C	.	.	S	Bend	trans	-88.1	-22.4	176.1	0	0	0	0	0	111.5	D201 P341	D201-A203 VanDerWaalsContact C-N 3.28Å; D201-A203 PolarHBondContact O-N 3.11Å; D201-A203 WeakPolarHBondContact OD1-CA 3.37Å; D201-A203 WeakPolarHBondContact OD1-CB 3.35Å; D201-A203 PolarHBondContact OD1-N 3.07Å; A203-P341 WeakPolarHBondContact O-CG 3.32Å
204	G	88	Confident	88.1	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	104.4	10.4	-178.2	0	0	0	0	0	114.7	L200 D201 P341 F343	L200-G204 VanDerWaalsContact CD2-O 3.31Å; L200-G204 WeakPolarHBondContact CD2-O 3.33Å; D201-G204 PolarHBondContact O-N 2.74Å; D201-G204 PolarHBondContact OD1-N 2.97Å; G204-P341 WeakPolarHBondContact O-CB 3.23Å; G204-F343 VanDerWaalsContact CA-O 3.31Å; G204-F343 WeakPolarHBondContact CA-O 3.36Å
205	H	94.6	Very high	87.4	Confident	8 Å²	8	22.4 Å²	22.4	4%	0.037	12%	0.119	C	C	.	.			trans	-76.8	148.3	172.1	-64.5	-81.9	0	0	0	110.2	F128 F171 E175 L200 D201 I339 P341	F128-H205 HydrophobicContact CD1-CB 4.46Å; F128-H205 HydrophobicContact CE1-CB 4.16Å; F128-H205 AromaticContact CE1-ND1 3.97Å; F171-H205 AromaticContact CZ-CE1 3.97Å; F171-H205 AromaticContact CZ-ND1 3.77Å; E175-H205 IonicContact OE1-CE1 3.68Å; E175-H205 IonicContact OE1-CG 3.71Å; E175-H205 IonicContact OE1-ND1 3.66Å; E175-H205 PolarHBondContact OE1-ND1 3.04Å; L200-H205 WeakPolarHBondContact CA-O 3.32Å; D201-H205 PolarHBondContact N-O 2.99Å; D201-H205 PolarHBondContact OD1-N 2.86Å; D201-H205 IonicContact OD2-CD2 2.63Å; H205-I339 PolarHBondContact CE1-O 3.27Å; H205-P341 WeakPolarHBondContact NE2-CG 3.45Å
206	I	96.4	Very high	86.4	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	150.3	177	60.9	137.2	0	0	0	112.1	F128 Y172 E175 L176 I198 L199 L200	F128-I206 WeakPolarHBondContact CA-O 3.38Å; F128-I206 WeakPolarHBondContact CD1-O 3.39Å; Y172-I206 HydrophobicContact CD1-CG2 3.44Å; Y172-I206 VanDerWaalsContact CD1-CG2 3.44Å; Y172-I206 HydrophobicContact CE1-CG2 4.02Å; Y172-I206 HydrophobicContact CG-CG2 4.17Å; E175-I206 HydrophobicContact CB-CD1 3.9Å; E175-I206 HydrophobicContact CB-CG1 3.51Å; E175-I206 HydrophobicContact CG-CG1 4.38Å; E175-I206 WeakPolarHBondContact OE2-CG1 3.31Å; E175-I206 PolarHBondContact OE2-N 3.02Å; L176-I206 HydrophobicContact CB-CD1 3.77Å; L176-I206 HydrophobicContact CD1-CD1 4.17Å; I198-I206 HydrophobicContact CG2-CB 3.64Å; I198-I206 HydrophobicContact CG2-CD1 4.11Å; I198-I206 HydrophobicContact CG2-CG1 4.5Å; I198-I206 HydrophobicContact CG2-CG2 3.55Å; L199-I206 CarbonylContact O-C 3.51Å; L199-I206 VanDerWaalsContact O-CA 3.29Å; L199-I206 WeakPolarHBondContact O-CA 3.49Å; L200-I206 HydrophobicContact CD2-CG2 3.7Å
207	K	96.6	Very high	85	Confident	28 Å²	28	25 Å²	25	12%	0.122	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	129.7	162.9	-62.7	-152.1	177.9	-152.8	0	110.9	P127 F128 D147 L149 L199	P127-K207 VanDerWaalsContact O-CE 3.24Å; P127-K207 WeakPolarHBondContact O-CE 2.98Å; F128-K207 WeakPolarHBondContact O-CA 3.38Å; D147-K207 IonicContact OD2-NZ 3.41Å; D147-K207 PolarHBondContact OD2-NZ 3.44Å; L149-K207 HydrophobicContact CD1-CB 3.61Å; L149-K207 HydrophobicContact CD1-CD 4.14Å; L149-K207 HydrophobicContact CD1-CG 4.17Å; L149-K207 HydrophobicContact CD2-CD 3.77Å; L149-K207 HydrophobicContact CD2-CG 4.16Å; L199-K207 PolarHBondContact N-O 3.09Å; L199-K207 PolarHBondContact O-N 3.06Å
208	L	95.6	Very high	83.1	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	136	173.1	-160.9	63.9	0	0	0	110.4	F128 I129 V130 L176 L183 Y190 L193 I198 F211	F128-L208 PolarHBondContact O-N 2.75Å; I129-L208 HydrophobicContact CG1-CB 4.41Å; V130-L208 WeakPolarHBondContact CB-O 3.33Å; V130-L208 WeakPolarHBondContact CG1-O 3.33Å; V130-L208 PolarHBondContact N-O 3.19Å; L176-L208 HydrophobicContact CD1-CD1 4.13Å; L183-L208 HydrophobicContact CD1-CD2 3.88Å; Y190-L208 HydrophobicContact CD1-CD1 4.48Å; Y190-L208 HydrophobicContact CD1-CD2 4.1Å; Y190-L208 HydrophobicContact CD2-CD2 3.67Å; Y190-L208 HydrophobicContact CD2-CG 4.28Å; Y190-L208 HydrophobicContact CE1-CD1 3.71Å; Y190-L208 HydrophobicContact CE1-CD2 4.02Å; Y190-L208 HydrophobicContact CE1-CG 4.11Å; Y190-L208 HydrophobicContact CE2-CD1 4.19Å; Y190-L208 HydrophobicContact CE2-CD2 3.62Å; Y190-L208 HydrophobicContact CE2-CG 3.69Å; Y190-L208 HydrophobicContact CG-CD2 3.92Å; Y190-L208 WeakPolarHBondContact OH-CD1 3.47Å; L193-L208 HydrophobicContact CD1-CD1 3.97Å; I198-L208 HydrophobicContact CG1-CD1 4.07Å; L208-F211 HydrophobicContact CD2-CZ 4.41Å; L208-F211 HydrophobicContact CG-CZ 4.46Å
209	T	91.6	Very high	81.1	Confident	22 Å²	22	33.8 Å²	33.8	14%	0.135	18%	0.18	C	C	.	.			trans	-135.6	176.2	-179.4	-167.5	0	0	0	0	111.7	Y190 N197 L199	Y190-T209 PolarHBondContact OH-O 2.85Å; N197-T209 WeakPolarHBondContact O-CG2 3.42Å; N197-T209 PolarHBondContact O-N 2.76Å; L199-T209 HydrophobicContact CD1-CG2 3.83Å; L199-T209 HydrophobicContact CG-CG2 3.74Å
210	D	83.3	Confident	79	Confident	54 Å²	54	41.6 Å²	41.6	29%	0.289	22%	0.215	S	C	.	.			trans	62.4	67.6	176	-158.8	24.8	0	0	0	115.4	K99 G212	K99-D210 IonicContact NZ-OD1 2.94Å; K99-D210 PolarHBondContact NZ-OD1 2.94Å; D210-G212 PolarHBondContact O-N 3.02Å; D210-G212 VanDerWaalsContact O-N 3.15Å
211	F	83.2	Confident	77.4	Confident	1 Å²	1	47 Å²	47	0%	0.004	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-78.8	12.7	178.9	-66.9	-96.4	0	0	0	113.9	E117 I120 L121 I129 V130 L183 Y190 L208 L213 S214	E117-F211 HydrophobicContact CG-CB 4Å; I120-F211 HydrophobicContact CG2-CB 4.32Å; I120-F211 HydrophobicContact CG2-CD1 3.67Å; I120-F211 HydrophobicContact CG2-CE1 4.29Å; I120-F211 HydrophobicContact CG2-CG 4.11Å; L121-F211 HydrophobicContact CD2-CD2 3.57Å; L121-F211 HydrophobicContact CD2-CE2 3.78Å; L121-F211 HydrophobicContact CD2-CG 4.38Å; L121-F211 HydrophobicContact CG-CD2 4.06Å; I129-F211 HydrophobicContact CG2-CE1 4.49Å; I129-F211 HydrophobicContact CG2-CE2 3.77Å; I129-F211 HydrophobicContact CG2-CZ 3.42Å; I129-F211 VanDerWaalsContact CG2-CZ 3.42Å; V130-F211 HydrophobicContact CG1-CE2 4.13Å; L183-F211 HydrophobicContact CD1-CE1 3.79Å; L183-F211 HydrophobicContact CD1-CZ 4.43Å; L183-F211 HydrophobicContact CD2-CE1 3.78Å; L183-F211 HydrophobicContact CG-CE1 4.45Å; Y190-F211 HydrophobicContact CD2-CD1 4.07Å; Y190-F211 AromaticContact CD2-CE1 3.93Å; Y190-F211 HydrophobicContact CD2-CE1 3.93Å; Y190-F211 HydrophobicContact CE2-CD1 4.17Å; Y190-F211 HydrophobicContact CE2-CE1 4.08Å; Y190-F211 HydrophobicContact CE2-CZ 4.38Å; L208-F211 HydrophobicContact CD2-CZ 4.41Å; L208-F211 HydrophobicContact CG-CZ 4.46Å; F211-L213 PolarHBondContact O-N 3.31Å; F211-L213 VanDerWaalsContact O-N 3.11Å; F211-S214 WeakPolarHBondContact CA-OG 3.23Å; F211-S214 WeakPolarHBondContact CD1-OG 3.36Å; F211-S214 WeakPolarHBondContact O-CB 3.36Å; F211-S214 PolarHBondContact O-N 3.2Å; F211-S214 PolarHBondContact O-OG 2.84Å
212	G	71.6	Confident	76.2	Confident	13 Å²	13	50.8 Å²	50.8	13%	0.134	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-64.1	-17.1	-175.6	0	0	0	0	0	115	R113 D210	R113-G212 WeakPolarHBondContact CB-O 3.42Å; R113-G212 WeakPolarHBondContact CD-O 3.05Å; R113-G212 WeakPolarHBondContact CG-O 3.22Å; D210-G212 PolarHBondContact O-N 3.02Å; D210-G212 VanDerWaalsContact O-N 3.15Å
213	L	70.1	Confident	75.5	Confident	35 Å²	35	48.8 Å²	48.8	18%	0.183	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-110.5	0.8	174	-62.9	-177.7	0	0	0	113.1	R191 D192 F211 C228	R191-L213 PolarHBondContact NE-O 2.81Å; R191-L213 PolarHBondContact NH2-O 2.92Å; D192-L213 HydrophobicContact CB-CB 4.24Å; D192-L213 HydrophobicContact CB-CD1 3.95Å; F211-L213 PolarHBondContact O-N 3.31Å; F211-L213 VanDerWaalsContact O-N 3.11Å; L213-C228 HydrophobicContact CD2-CB 4.39Å
214	S	74.9	Confident	74.9	Confident	4 Å²	4	47.3 Å²	47.3	3%	0.028	24%	0.238	C	C	.	.			trans	-70.8	156.5	178.3	-54.2	0	0	0	0	111.3	I189 Y190 F211	I189-S214 VanDerWaalsContact O-CA 3.28Å; I189-S214 WeakPolarHBondContact O-CA 3.24Å; Y190-S214 WeakPolarHBondContact CD2-OG 3.34Å; Y190-S214 PolarHBondContact O-OG 3.1Å; F211-S214 WeakPolarHBondContact CA-OG 3.23Å; F211-S214 WeakPolarHBondContact CD1-OG 3.36Å; F211-S214 WeakPolarHBondContact O-CB 3.36Å; F211-S214 PolarHBondContact O-N 3.2Å; F211-S214 PolarHBondContact O-OG 2.84Å
215	K	77	Confident	74.3	Confident	50 Å²	50	53 Å²	53	22%	0.217	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	131.9	-178.7	174.2	166	-174.7	-175.8	0	111.7	M116 I189 R191 A224	M116-K215 HydrophobicContact CE-CB 4.41Å; M116-K215 HydrophobicContact CE-CG 4.38Å; I189-K215 PolarHBondContact N-O 2.83Å; I189-K215 PolarHBondContact O-N 2.74Å; R191-K215 VanDerWaalsContact CZ-CB 3.48Å; K215-A224 HydrophobicContact CD-CB 4.14Å
216	E	65.9	Low	73.4	Confident	72 Å²	72	55.2 Å²	55.2	34%	0.336	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	139.7	165.3	-70.5	161.6	-155.1	0	0	110.4	G187 I188 I218	G187-E216 CarbonylContact O-C 3.55Å; G187-E216 WeakPolarHBondContact O-CA 3.28Å; I188-E216 HydrophobicContact CG1-CG 4.15Å; E216-I218 HydrophobicContact CB-CG1 4.4Å; E216-I218 WeakPolarHBondContact O-CG1 3.46Å; E216-I218 PolarHBondContact O-N 3.01Å
217	S	60.2	Low	72.4	Confident	30 Å²	30	57.6 Å²	57.6	21%	0.21	29%	0.287	C	S	.	.			trans	-75.6	90.7	174.7	63.5	0	0	0	0	110.3	G187 N222	G187-S217 PolarHBondContact O-N 3.12Å; G187-S217 PolarHBondContact O-OG 3.19Å; S217-N222 PolarHBondContact OG-OD1 2.88Å
218	I	51.7	Low	71.5	Confident	129 Å²	129	56.8 Å²	56.8	66%	0.662	29%	0.285	S	S	*	.			trans	-82.1	-12.3	-172.8	-38.6	-177.5	0	0	0	113	E216	E216-I218 HydrophobicContact CB-CG1 4.4Å; E216-I218 WeakPolarHBondContact O-CG1 3.46Å; E216-I218 PolarHBondContact O-N 3.01Å
219	D	52.7	Low	70.7	Confident	67 Å²	67	58 Å²	58	36%	0.358	30%	0.297	S	S	.	.	S	Bend	trans	-95.6	151	-172	-160.1	-3.4	0	0	0	112.3	E221 N222	D219-E221 PolarHBondContact O-N 3.44Å; D219-N222 PolarHBondContact O-N 3.17Å
220	H	51	Low	70.3	Confident	201 Å²	201	58 Å²	58	93%	0.931	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-15.9	177.1	-74.1	-68.8	0	0	0	113.3
221	E	57.5	Low	70.5	Confident	114 Å²	114	56.3 Å²	56.3	53%	0.533	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	6.4	174	-60	-166.3	171.7	0	0	114.8	D219 K223	D219-E221 PolarHBondContact O-N 3.44Å; E221-K223 VanDerWaalsContact C-N 3.29Å; E221-K223 HydrophobicContact CB-CD 4.25Å; E221-K223 HydrophobicContact CB-CG 4.44Å; E221-K223 PolarHBondContact O-N 3.14Å; E221-K223 IonicContact OE2-NZ 2.71Å; E221-K223 PolarHBondContact OE2-NZ 3.35Å
222	N	66	Low	70.9	Confident	93 Å²	93	58.7 Å²	58.7	50%	0.497	30%	0.3	S	S	.	.			trans	55.4	31.5	-176.4	-71.4	-27	0	0	0	115.6	S217 D219	S217-N222 PolarHBondContact OG-OD1 2.88Å; D219-N222 PolarHBondContact O-N 3.17Å
223	K	71.4	Confident	72	Confident	70 Å²	70	58.6 Å²	58.6	30%	0.304	30%	0.295	S	S	.	.			trans	-106	146.1	-176.9	-72.5	171.7	-170.4	161.9	0	113.8	E221 Y225 H244 T245	E221-K223 VanDerWaalsContact C-N 3.29Å; E221-K223 HydrophobicContact CB-CD 4.25Å; E221-K223 HydrophobicContact CB-CG 4.44Å; E221-K223 PolarHBondContact O-N 3.14Å; E221-K223 IonicContact OE2-NZ 2.71Å; E221-K223 PolarHBondContact OE2-NZ 3.35Å; K223-Y225 HydrophobicContact CB-CE2 3.93Å; K223-H244 WeakPolarHBondContact CA-O 3.42Å; K223-T245 HydrophobicContact CG-CG2 3.89Å
224	A	73.8	Confident	73	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.008	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-111.6	137.1	167.5	0	0	0	0	0	110.7	I189 K215 G243 H244	I189-A224 HydrophobicContact CD1-CB 4.25Å; K215-A224 HydrophobicContact CD-CB 4.14Å; A224-G243 CarbonylContact O-C 3.17Å; A224-G243 VanDerWaalsContact O-CA 3.26Å; A224-G243 WeakPolarHBondContact O-CA 3.43Å; A224-H244 WeakPolarHBondContact CB-NE2 3.14Å; A224-H244 PolarHBondContact N-O 3.4Å; A224-H244 PolarHBondContact O-CE1 3.46Å; A224-H244 PolarHBondContact O-N 3.49Å; A224-H244 PolarHBondContact O-ND1 3.03Å
225	Y	76.1	Confident	73.9	Confident	120 Å²	120	57.2 Å²	57.2	47%	0.471	29%	0.288	S	S	.	.			trans	-108.9	-4.3	-175.2	-64.7	-89.2	0	0	0	114.2	K223 F227	K223-Y225 HydrophobicContact CB-CE2 3.93Å; Y225-F227 PolarHBondContact O-N 3.06Å
226	S	74.3	Confident	74.8	Confident	54 Å²	54	55.1 Å²	55.1	38%	0.378	28%	0.279	S	S	.	.			trans	-71.8	130.3	-175.5	-48.9	0	0	0	0	111.8	C228 H244	S226-C228 PolarHBondContact O-N 2.96Å; S226-H244 PolarHBondContact O-CE1 2.71Å; S226-H244 VanDerWaalsContact O-CE1 3.29Å
227	F	76.7	Confident	76	Confident	51 Å²	51	52.3 Å²	52.3	22%	0.224	27%	0.266	C	S	.	.			trans	-78.7	100.7	168.3	-173.2	-79.4	0	0	0	109.1	Y225 M234 R241 M276	Y225-F227 PolarHBondContact O-N 3.06Å; F227-M234 HydrophobicContact CD1-CE 4.48Å; F227-M234 HydrophobicContact CE1-CE 3.8Å; F227-M234 HydrophobicContact CE1-SD 4.02Å; F227-M234 HydrophobicContact CE2-SD 3.99Å; F227-M234 HydrophobicContact CZ-CE 3.96Å; F227-M234 HydrophobicContact CZ-SD 3.55Å; F227-M234 VanDerWaalsContact CZ-SD 3.55Å; F227-R241 HydrophobicContact CD2-CG 4.09Å; F227-M276 HydrophobicContact CE1-CE 4.42Å; F227-M276 HydrophobicContact CE2-CE 4.21Å; F227-M276 HydrophobicContact CZ-CE 3.55Å
228	C	76.9	Confident	77.5	Confident	12 Å²	12	51.3 Å²	51.3	8%	0.081	26%	0.259	C	S	.	.			trans	-151.3	162.3	-178.8	58.2	0	0	0	0	112.1	R191 L213 S226 M234	R191-C228 VanDerWaalsContact CZ-SG 3.5Å; L213-C228 HydrophobicContact CD2-CB 4.39Å; S226-C228 PolarHBondContact O-N 2.96Å; C228-M234 VanDerWaalsContact C-CE 3.41Å; C228-M234 VanDerWaalsContact O-CE 3.27Å; C228-M234 WeakPolarHBondContact O-CE 3.18Å
229	G	79.3	Confident	79.3	Confident	24 Å²	24	46 Å²	46	25%	0.247	23%	0.232	C	C	.	.	S	Bend	trans	109.2	-178.1	-176.6	0	0	0	0	0	112.8	M234	G229-M234 WeakPolarHBondContact O-CE 3.42Å
230	T	83.5	Confident	80.9	Confident	24 Å²	24	46.1 Å²	46.1	15%	0.147	23%	0.233	C	C	.	.			trans	-84.6	123.6	174.6	-57.4	0	0	0	0	109.6	D192 K194 E232 Y233 M234	D192-T230 PolarHBondContact OD1-N 3.17Å; D192-T230 PolarHBondContact OD1-OG1 3.47Å; K194-T230 WeakPolarHBondContact CD-OG1 3.36Å; T230-E232 VanDerWaalsContact C-N 3.27Å; T230-E232 VanDerWaalsContact CG2-OE2 3.23Å; T230-E232 WeakPolarHBondContact CG2-OE2 3.35Å; T230-E232 PolarHBondContact O-N 3.22Å; T230-Y233 HydrophobicContact CG2-CD2 3.9Å; T230-Y233 HydrophobicContact CG2-CE2 4.48Å; T230-Y233 PolarHBondContact O-N 3.36Å; T230-M234 WeakPolarHBondContact O-CG 3.28Å; T230-M234 PolarHBondContact O-N 2.94Å
231	V	86.7	Confident	82.5	Confident	18 Å²	18	44.7 Å²	44.7	11%	0.109	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-55.3	-42.1	-166.2	173.5	0	0	0	0	112.5	Y233 M234 R272 T275 M276 I279	V231-Y233 PolarHBondContact O-N 2.89Å; V231-M234 HydrophobicContact CG2-CE 4.2Å; V231-M234 WeakPolarHBondContact O-CB 3.36Å; V231-M234 PolarHBondContact O-N 3.44Å; V231-M234 VanDerWaalsContact O-N 3.1Å; V231-R272 HydrophobicContact CG1-CG 4.25Å; V231-R272 HydrophobicContact CG2-CG 4.12Å; V231-T275 HydrophobicContact CG1-CG2 4.1Å; V231-M276 HydrophobicContact CG1-CE 4.2Å; V231-M276 HydrophobicContact CG1-CG 3.97Å; V231-M276 HydrophobicContact CG2-CE 4.29Å; V231-I279 HydrophobicContact CG1-CD1 4.49Å; V231-I279 WeakPolarHBondContact O-CD1 3.34Å
232	E	91.8	Very high	83.4	Confident	50 Å²	50	48.4 Å²	48.4	23%	0.234	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-61.7	-22.7	-179.1	-61.5	85.1	167.2	0	0	113	T230 L265 T275	T230-E232 VanDerWaalsContact C-N 3.27Å; T230-E232 VanDerWaalsContact CG2-OE2 3.23Å; T230-E232 WeakPolarHBondContact CG2-OE2 3.35Å; T230-E232 PolarHBondContact O-N 3.22Å; E232-L265 HydrophobicContact CB-CD1 3.79Å; E232-L265 HydrophobicContact CB-CD2 4.37Å; E232-L265 HydrophobicContact CG-CD1 3.79Å; E232-T275 HydrophobicContact CG-CG2 4.22Å
233	Y	93.9	Very high	83.9	Confident	12 Å²	12	44.5 Å²	44.5	5%	0.047	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-101.6	-7.8	179.7	-71.4	-96.5	0	0	0	113.2	L193 K194 P195 T230 V231 S252 V255 L256 E259 L265	L193-Y233 WeakPolarHBondContact O-CD1 3.39Å; K194-Y233 HydrophobicContact CB-CD1 4.41Å; K194-Y233 HydrophobicContact CB-CD2 4.28Å; K194-Y233 HydrophobicContact CB-CE1 4.2Å; K194-Y233 HydrophobicContact CB-CE2 4.1Å; K194-Y233 HydrophobicContact CB-CG 4.43Å; P195-Y233 WeakPolarHBondContact CD-OH 3.48Å; T230-Y233 HydrophobicContact CG2-CD2 3.9Å; T230-Y233 HydrophobicContact CG2-CE2 4.48Å; T230-Y233 PolarHBondContact O-N 3.36Å; V231-Y233 PolarHBondContact O-N 2.89Å; Y233-S252 PolarHBondContact O-OG 3.48Å; Y233-V255 HydrophobicContact CD1-CB 3.82Å; Y233-V255 HydrophobicContact CD1-CG1 3.49Å; Y233-V255 VanDerWaalsContact CD1-CG1 3.49Å; Y233-V255 HydrophobicContact CE1-CB 4.17Å; Y233-V255 HydrophobicContact CE1-CG1 3.58Å; Y233-V255 HydrophobicContact CG-CG1 3.99Å; Y233-L256 HydrophobicContact CE1-CB 4.46Å; Y233-E259 VanDerWaalsContact OH-CD 3.29Å; Y233-E259 PolarHBondContact OH-OE2 3.47Å; Y233-L265 HydrophobicContact CE2-CD2 3.93Å
234	M	92.8	Very high	84.5	Confident	8 Å²	8	41.4 Å²	41.4	4%	0.039	20%	0.197	C	C	.	.			trans	-71	138.1	-175.7	-69.1	-175	-173.3	0	0	112.1	F227 C228 G229 T230 V231 V238 V239 W251	F227-M234 HydrophobicContact CD1-CE 4.48Å; F227-M234 HydrophobicContact CE1-CE 3.8Å; F227-M234 HydrophobicContact CE1-SD 4.02Å; F227-M234 HydrophobicContact CE2-SD 3.99Å; F227-M234 HydrophobicContact CZ-CE 3.96Å; F227-M234 HydrophobicContact CZ-SD 3.55Å; F227-M234 VanDerWaalsContact CZ-SD 3.55Å; C228-M234 VanDerWaalsContact C-CE 3.41Å; C228-M234 VanDerWaalsContact O-CE 3.27Å; C228-M234 WeakPolarHBondContact O-CE 3.18Å; G229-M234 WeakPolarHBondContact O-CE 3.42Å; T230-M234 WeakPolarHBondContact O-CG 3.28Å; T230-M234 PolarHBondContact O-N 2.94Å; V231-M234 HydrophobicContact CG2-CE 4.2Å; V231-M234 WeakPolarHBondContact O-CB 3.36Å; V231-M234 PolarHBondContact O-N 3.44Å; V231-M234 VanDerWaalsContact O-N 3.1Å; M234-V238 HydrophobicContact CB-CB 4.4Å; M234-V238 HydrophobicContact CB-CG1 4.43Å; M234-V238 HydrophobicContact CG-CG1 4.29Å; M234-V238 HydrophobicContact SD-CG1 4.08Å; M234-V239 HydrophobicContact CB-CG2 3.84Å; M234-W251 PolarHBondContact O-NE1 3.48Å; M234-W251 VanDerWaalsContact O-NE1 3.08Å
235	A	93.9	Very high	85.1	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.008	21%	0.207	C	C	.	.			trans	-69.5	153.1	171.6	0	0	0	0	0	112.2	E237 V238 V239 A248 W251	A235-E237 VanDerWaalsContact C-N 3.26Å; A235-E237 VanDerWaalsContact CB-CD 3.48Å; A235-E237 HydrophobicContact CB-CG 4.34Å; A235-E237 WeakPolarHBondContact CB-OE1 3.45Å; A235-E237 WeakPolarHBondContact CB-OE2 3.31Å; A235-E237 PolarHBondContact O-N 2.87Å; A235-V238 HydrophobicContact CB-CG2 4.13Å; A235-V238 WeakPolarHBondContact O-CB 3.14Å; A235-V238 PolarHBondContact O-N 2.9Å; A235-V239 PolarHBondContact O-N 2.96Å; A235-A248 HydrophobicContact CB-CB 4.03Å; A235-W251 VanDerWaalsContact CA-CD1 3.45Å; A235-W251 HydrophobicContact CB-CB 3.63Å; A235-W251 HydrophobicContact CB-CD2 4.3Å; A235-W251 HydrophobicContact CB-CG 3.68Å
236	P	94.3	Very high	85.8	Confident	6 Å²	6	40.5 Å²	40.5	4%	0.039	20%	0.199	C	C	.	.	H	α-helix	trans	-54.7	-37.1	179.9	-27.7	35.6	0	0	0	114.2	V239 N240 W251 I279 L280 R304	P236-V239 PolarHBondContact O-N 3.11Å; P236-N240 WeakPolarHBondContact O-CB 3.48Å; P236-N240 PolarHBondContact O-N 3.45Å; P236-N240 PolarHBondContact O-ND2 2.89Å; P236-W251 HydrophobicContact CG-CD2 4.44Å; P236-W251 HydrophobicContact CG-CE3 4.11Å; P236-W251 HydrophobicContact CG-CH2 3.55Å; P236-W251 HydrophobicContact CG-CZ2 3.91Å; P236-W251 HydrophobicContact CG-CZ3 3.66Å; P236-I279 HydrophobicContact CB-CG2 4.49Å; P236-I279 HydrophobicContact CG-CG2 4.06Å; P236-L280 HydrophobicContact CB-CD2 4.04Å; P236-R304 HydrophobicContact CG-CB 4.45Å; P236-R304 HydrophobicContact CG-CG 4.15Å
237	E	92.8	Very high	86.7	Confident	13 Å²	13	38 Å²	38	6%	0.061	18%	0.181	C	C	.	.	H	α-helix	trans	-68.1	-31.9	177.6	63.3	-87.9	-156.6	0	0	113.4	A235 R241 R242 H244 R309	A235-E237 VanDerWaalsContact C-N 3.26Å; A235-E237 VanDerWaalsContact CB-CD 3.48Å; A235-E237 HydrophobicContact CB-CG 4.34Å; A235-E237 WeakPolarHBondContact CB-OE1 3.45Å; A235-E237 WeakPolarHBondContact CB-OE2 3.31Å; A235-E237 PolarHBondContact O-N 2.87Å; E237-R241 PolarHBondContact O-N 2.69Å; E237-R242 PolarHBondContact O-N 2.94Å; E237-R242 VanDerWaalsContact O-N 3.14Å; E237-H244 HydrophobicContact CG-CB 3.96Å; E237-R309 IonicContact OE1-CZ 3.02Å; E237-R309 IonicContact OE1-NH1 2.84Å; E237-R309 PolarHBondContact OE1-NH1 3.5Å; E237-R309 IonicContact OE1-NH2 2.67Å; E237-R309 PolarHBondContact OE1-NH2 3.4Å; E237-R309 IonicContact OE2-CZ 3.69Å; E237-R309 IonicContact OE2-NH1 3.78Å; E237-R309 IonicContact OE2-NH2 3.16Å; E237-R309 PolarHBondContact OE2-NH2 2.93Å
238	V	90.9	Very high	87.5	Confident	10 Å²	10	35.8 Å²	35.8	6%	0.061	17%	0.173	C	C	.	.	H	α-helix	trans	-70.5	-45.1	173.8	-176.8	0	0	0	0	109.4	M234 A235 N240 R241 H244 A248	M234-V238 HydrophobicContact CB-CB 4.4Å; M234-V238 HydrophobicContact CB-CG1 4.43Å; M234-V238 HydrophobicContact CG-CG1 4.29Å; M234-V238 HydrophobicContact SD-CG1 4.08Å; A235-V238 HydrophobicContact CB-CG2 4.13Å; A235-V238 WeakPolarHBondContact O-CB 3.14Å; A235-V238 PolarHBondContact O-N 2.9Å; V238-N240 VanDerWaalsContact C-N 3.32Å; V238-N240 PolarHBondContact O-N 2.94Å; V238-R241 PolarHBondContact O-N 3.16Å; V238-R241 VanDerWaalsContact O-N 3.1Å; V238-H244 HydrophobicContact CG2-CB 3.78Å; V238-A248 HydrophobicContact CG2-CB 3.94Å
239	V	89.1	Confident	88.4	Confident	17 Å²	17	35.2 Å²	35.2	10%	0.103	17%	0.169	C	C	.	.	H	α-helix	trans	-61	-41.3	177.2	177.8	0	0	0	0	111.5	M234 A235 P236 R241 M276 I279 L280	M234-V239 HydrophobicContact CB-CG2 3.84Å; A235-V239 PolarHBondContact O-N 2.96Å; P236-V239 PolarHBondContact O-N 3.11Å; V239-R241 VanDerWaalsContact C-N 3.27Å; V239-R241 PolarHBondContact O-N 3.13Å; V239-M276 HydrophobicContact CG1-CB 3.92Å; V239-M276 HydrophobicContact CG1-CG 3.95Å; V239-I279 HydrophobicContact CG2-CD1 4.34Å; V239-I279 HydrophobicContact CG2-CG2 4.08Å; V239-L280 HydrophobicContact CB-CD2 4.22Å; V239-L280 HydrophobicContact CG1-CD1 4.04Å; V239-L280 HydrophobicContact CG1-CD2 4.16Å; V239-L280 HydrophobicContact CG1-CG 4.04Å
240	N	87	Confident	89.3	Confident	70 Å²	70	34.2 Å²	34.2	37%	0.374	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-1.2	177.3	-78.4	-29.2	0	0	0	114.6	P236 V238 R242 L280	P236-N240 WeakPolarHBondContact O-CB 3.48Å; P236-N240 PolarHBondContact O-N 3.45Å; P236-N240 PolarHBondContact O-ND2 2.89Å; V238-N240 VanDerWaalsContact C-N 3.32Å; V238-N240 PolarHBondContact O-N 2.94Å; N240-R242 HydrophobicContact CB-CG 3.99Å; N240-R242 PolarHBondContact O-N 3.28Å; N240-L280 VanDerWaalsContact ND2-CD2 3.32Å; N240-L280 WeakPolarHBondContact ND2-CD2 3.36Å; N240-L280 WeakPolarHBondContact OD1-CD1 3.15Å; N240-L280 WeakPolarHBondContact OD1-CD2 3.09Å
241	R	83.9	Confident	89.9	Confident	171 Å²	171	33 Å²	33	65%	0.645	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	31.4	-179.7	-54.8	-180	179.6	-135.4	2.1	114.3	F227 E237 V238 V239 G243	F227-R241 HydrophobicContact CD2-CG 4.09Å; E237-R241 PolarHBondContact O-N 2.69Å; V238-R241 PolarHBondContact O-N 3.16Å; V238-R241 VanDerWaalsContact O-N 3.1Å; V239-R241 VanDerWaalsContact C-N 3.27Å; V239-R241 PolarHBondContact O-N 3.13Å; R241-G243 PolarHBondContact O-N 2.72Å
242	R	75.6	Confident	90.4	Very high	192 Å²	192	32.5 Å²	32.5	73%	0.725	15%	0.148	S	C	*	.	S	Bend	trans	-85.1	8.9	-176.8	-70.2	-177.4	-179.4	-168.8	-1.6	114.3	E237 N240	E237-R242 PolarHBondContact O-N 2.94Å; E237-R242 VanDerWaalsContact O-N 3.14Å; N240-R242 HydrophobicContact CB-CG 3.99Å; N240-R242 PolarHBondContact O-N 3.28Å
243	G	78.4	Confident	90.7	Very high	10 Å²	10	30.1 Å²	30.1	10%	0.103	14%	0.137	C	C	.	.			trans	78.4	146.5	-162.8	0	0	0	0	0	111.2	A224 R241	A224-G243 CarbonylContact O-C 3.17Å; A224-G243 VanDerWaalsContact O-CA 3.26Å; A224-G243 WeakPolarHBondContact O-CA 3.43Å; R241-G243 PolarHBondContact O-N 2.72Å
244	H	82.2	Confident	90.9	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.028	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-139.4	150.2	179.8	56.7	-85.5	0	0	0	111	R191 K223 A224 S226 E237 V238 A248	R191-H244 WeakPolarHBondContact CD-NE2 3.38Å; K223-H244 WeakPolarHBondContact CA-O 3.42Å; A224-H244 WeakPolarHBondContact CB-NE2 3.14Å; A224-H244 PolarHBondContact N-O 3.4Å; A224-H244 PolarHBondContact O-CE1 3.46Å; A224-H244 PolarHBondContact O-N 3.49Å; A224-H244 PolarHBondContact O-ND1 3.03Å; S226-H244 PolarHBondContact O-CE1 2.71Å; S226-H244 VanDerWaalsContact O-CE1 3.29Å; E237-H244 HydrophobicContact CG-CB 3.96Å; V238-H244 HydrophobicContact CG2-CB 3.78Å; H244-A248 HydrophobicContact CB-CB 4.13Å
245	T	87.8	Confident	91.1	Very high	36 Å²	36	29.2 Å²	29.2	22%	0.221	13%	0.132	C	C	.	.			trans	-109.9	-168.8	174.2	67	0	0	0	0	109.4	K223 S247 A248	K223-T245 HydrophobicContact CG-CG2 3.89Å; T245-S247 PolarHBondContact O-N 2.78Å; T245-S247 VanDerWaalsContact O-N 3.09Å; T245-S247 PolarHBondContact OG1-N 3.29Å; T245-S247 PolarHBondContact OG1-OG 3.45Å; T245-S247 VanDerWaalsContact OG1-OG 3.13Å; T245-A248 PolarHBondContact O-N 3.45Å; T245-A248 VanDerWaalsContact O-N 3.15Å
246	H	89.9	Confident	91.3	Very high	65 Å²	65	29.2 Å²	29.2	30%	0.301	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-20.3	171.7	63.2	-96.9	0	0	0	113.9	H184 I189 A248 D249	H184-H246 HydrophobicContact CB-CB 4.37Å; H184-H246 AromaticContact ND1-CD2 3.98Å; I189-H246 HydrophobicContact CG1-CB 4.47Å; H246-A248 PolarHBondContact O-N 2.56Å; H246-A248 VanDerWaalsContact O-N 3.08Å; H246-D249 WeakPolarHBondContact O-CB 3.07Å; H246-D249 PolarHBondContact O-N 3.27Å
247	S	92.9	Very high	91.4	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.014	13%	0.13	C	C	.	.	H	α-helix	trans	-57.3	-25.5	174.8	68.3	0	0	0	0	113.5	T245 D249 W250 W251 P306 R309	T245-S247 PolarHBondContact O-N 2.78Å; T245-S247 VanDerWaalsContact O-N 3.09Å; T245-S247 PolarHBondContact OG1-N 3.29Å; T245-S247 PolarHBondContact OG1-OG 3.45Å; T245-S247 VanDerWaalsContact OG1-OG 3.13Å; S247-D249 VanDerWaalsContact C-N 3.3Å; S247-D249 PolarHBondContact O-N 3.42Å; S247-W250 PolarHBondContact O-N 3.24Å; S247-W251 PolarHBondContact O-N 3.18Å; S247-P306 VanDerWaalsContact OG-CB 3.3Å; S247-P306 WeakPolarHBondContact OG-CB 3.17Å; S247-R309 WeakPolarHBondContact O-CD 3.37Å; S247-R309 PolarHBondContact O-NH1 3.34Å
248	A	94.1	Very high	91.5	Very high	5 Å²	5	28.9 Å²	28.9	4%	0.041	13%	0.13	C	C	.	.	H	α-helix	trans	-64.6	-34.2	176.5	0	0	0	0	0	112.1	A235 V238 H244 T245 H246 W250 W251 S252	A235-A248 HydrophobicContact CB-CB 4.03Å; V238-A248 HydrophobicContact CG2-CB 3.94Å; H244-A248 HydrophobicContact CB-CB 4.13Å; T245-A248 PolarHBondContact O-N 3.45Å; T245-A248 VanDerWaalsContact O-N 3.15Å; H246-A248 PolarHBondContact O-N 2.56Å; H246-A248 VanDerWaalsContact O-N 3.08Å; A248-W250 VanDerWaalsContact C-N 3.29Å; A248-W250 PolarHBondContact O-N 3.06Å; A248-W251 WeakPolarHBondContact O-CB 3.47Å; A248-W251 PolarHBondContact O-N 2.95Å; A248-S252 PolarHBondContact O-N 3.02Å; A248-S252 PolarHBondContact O-OG 3.44Å
249	D	95.8	Very high	91.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.5	-35.1	177	-68.2	-27	0	0	0	110.9	L180 H184 Y190 R191 H246 S247 W251 S252 Y253	L180-D249 HydrophobicContact CD2-CB 4.25Å; H184-D249 IonicContact CD2-OD2 3.37Å; H184-D249 IonicContact CE1-OD2 3.76Å; H184-D249 IonicContact NE2-OD2 3.47Å; H184-D249 PolarHBondContact NE2-OD2 2.99Å; Y190-D249 PolarHBondContact N-OD2 2.82Å; R191-D249 WeakPolarHBondContact CA-OD1 3.16Å; R191-D249 PolarHBondContact N-OD1 2.88Å; H246-D249 WeakPolarHBondContact O-CB 3.07Å; H246-D249 PolarHBondContact O-N 3.27Å; S247-D249 VanDerWaalsContact C-N 3.3Å; S247-D249 PolarHBondContact O-N 3.42Å; D249-W251 VanDerWaalsContact C-N 3.31Å; D249-W251 PolarHBondContact O-N 3.44Å; D249-S252 CarbonylContact O-C 3.59Å; D249-S252 PolarHBondContact O-N 3.04Å; D249-Y253 WeakPolarHBondContact O-CB 3.2Å; D249-Y253 PolarHBondContact O-N 3.28Å
250	W	97.3	Very high	91.4	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-67.9	-27.6	175.2	-61.9	130.9	0	0	0	113.7	A177 L180 H184 S247 A248 Y253 G254 L301 G311 V317 I320	A177-W250 HydrophobicContact CB-CH2 4.37Å; A177-W250 HydrophobicContact CB-CZ3 4.38Å; L180-W250 HydrophobicContact CB-CH2 3.95Å; L180-W250 HydrophobicContact CB-CZ3 4.34Å; L180-W250 HydrophobicContact CD1-CE3 4.2Å; L180-W250 HydrophobicContact CD1-CH2 4.23Å; L180-W250 HydrophobicContact CD1-CZ3 3.77Å; H184-W250 AromaticContact ND1-CZ2 3.96Å; S247-W250 PolarHBondContact O-N 3.24Å; A248-W250 VanDerWaalsContact C-N 3.29Å; A248-W250 PolarHBondContact O-N 3.06Å; W250-Y253 HydrophobicContact CE3-CD1 4.35Å; W250-Y253 HydrophobicContact CE3-CD2 4.23Å; W250-Y253 HydrophobicContact CE3-CG 4.01Å; W250-Y253 HydrophobicContact CZ3-CD2 4.03Å; W250-Y253 HydrophobicContact CZ3-CE2 4.16Å; W250-Y253 HydrophobicContact CZ3-CG 4.27Å; W250-G254 PolarHBondContact O-N 3.36Å; W250-G254 VanDerWaalsContact O-N 3.13Å; W250-L301 HydrophobicContact CB-CD2 4.32Å; W250-G311 VanDerWaalsContact CD1-C 3.48Å; W250-G311 PolarHBondContact NE1-O 3.48Å; W250-V317 HydrophobicContact CH2-CB 4.32Å; W250-V317 HydrophobicContact CH2-CG2 3.71Å; W250-V317 HydrophobicContact CZ2-CB 4.13Å; W250-V317 HydrophobicContact CZ2-CG2 4.03Å; W250-I320 HydrophobicContact CD2-CD1 3.41Å; W250-I320 VanDerWaalsContact CD2-CD1 3.41Å; W250-I320 HydrophobicContact CE3-CD1 3.17Å; W250-I320 HydrophobicContact CG-CD1 4.24Å; W250-I320 HydrophobicContact CH2-CD1 3.51Å; W250-I320 HydrophobicContact CZ2-CD1 3.69Å; W250-I320 HydrophobicContact CZ3-CD1 3.23Å
251	W	97.4	Very high	91.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-67.8	-49.5	169	175.8	-81.5	0	0	0	110.7	M234 A235 P236 S247 A248 D249 Y253 G254 V255 F267 I279 F302 R304	M234-W251 PolarHBondContact O-NE1 3.48Å; M234-W251 VanDerWaalsContact O-NE1 3.08Å; A235-W251 VanDerWaalsContact CA-CD1 3.45Å; A235-W251 HydrophobicContact CB-CB 3.63Å; A235-W251 HydrophobicContact CB-CD2 4.3Å; A235-W251 HydrophobicContact CB-CG 3.68Å; P236-W251 HydrophobicContact CG-CD2 4.44Å; P236-W251 HydrophobicContact CG-CE3 4.11Å; P236-W251 HydrophobicContact CG-CH2 3.55Å; P236-W251 HydrophobicContact CG-CZ2 3.91Å; P236-W251 HydrophobicContact CG-CZ3 3.66Å; S247-W251 PolarHBondContact O-N 3.18Å; A248-W251 WeakPolarHBondContact O-CB 3.47Å; A248-W251 PolarHBondContact O-N 2.95Å; D249-W251 VanDerWaalsContact C-N 3.31Å; D249-W251 PolarHBondContact O-N 3.44Å; W251-Y253 PolarHBondContact O-N 2.91Å; W251-G254 WeakPolarHBondContact O-CA 3.34Å; W251-G254 PolarHBondContact O-N 2.7Å; W251-V255 PolarHBondContact O-N 2.93Å; W251-F267 AromaticContact CH2-CE2 3.93Å; W251-F267 HydrophobicContact CH2-CE2 3.93Å; W251-F267 HydrophobicContact CH2-CZ 4.46Å; W251-F267 HydrophobicContact CZ2-CD2 4.01Å; W251-F267 AromaticContact CZ2-CE2 3.58Å; W251-F267 HydrophobicContact CZ2-CE2 3.58Å; W251-I279 HydrophobicContact CZ2-CG2 4.09Å; W251-F302 HydrophobicContact CD2-CD1 4Å; W251-F302 HydrophobicContact CD2-CE1 4.37Å; W251-F302 AromaticContact CE2-CD1 3.98Å; W251-F302 AromaticContact CE3-CD1 3.92Å; W251-F302 HydrophobicContact CE3-CD1 3.92Å; W251-F302 AromaticContact CH2-CD1 3.86Å; W251-F302 HydrophobicContact CH2-CD1 3.86Å; W251-F302 AromaticContact CZ2-CD1 3.93Å; W251-F302 HydrophobicContact CZ2-CD1 3.93Å; W251-F302 HydrophobicContact CZ2-CE1 4.29Å; W251-F302 HydrophobicContact CZ3-CB 4.25Å; W251-F302 AromaticContact CZ3-CD1 3.86Å; W251-F302 HydrophobicContact CZ3-CD1 3.86Å; W251-R304 HydrophobicContact CZ3-CG 4.45Å
252	S	97.3	Very high	90.9	Very high	7 Å²	7	17.4 Å²	17.4	5%	0.049	8%	0.081	C	C	.	.	H	α-helix	trans	-61.3	-32.9	177.8	-53	0	0	0	0	111.8	Y233 A248 D249 G254 V255 L256	Y233-S252 PolarHBondContact O-OG 3.48Å; A248-S252 PolarHBondContact O-N 3.02Å; A248-S252 PolarHBondContact O-OG 3.44Å; D249-S252 CarbonylContact O-C 3.59Å; D249-S252 PolarHBondContact O-N 3.04Å; S252-G254 VanDerWaalsContact C-N 3.35Å; S252-V255 PolarHBondContact O-N 2.88Å; S252-L256 WeakPolarHBondContact O-CB 3.45Å; S252-L256 PolarHBondContact O-N 2.91Å
253	Y	98.2	Very high	91	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-62.8	-40.4	172.2	-177.6	-85.8	0	0	0	111.5	L173 L176 A177 L180 D249 W250 W251 L256 M257 L301 F326	L173-Y253 HydrophobicContact CB-CE1 4.4Å; L173-Y253 HydrophobicContact CB-CE2 4.15Å; L173-Y253 WeakPolarHBondContact CB-OH 3.45Å; L173-Y253 HydrophobicContact CD1-CE1 4.15Å; L173-Y253 HydrophobicContact CD2-CD1 4.36Å; L173-Y253 HydrophobicContact CD2-CD2 4.03Å; L173-Y253 HydrophobicContact CD2-CE1 4.06Å; L173-Y253 HydrophobicContact CD2-CE2 3.71Å; L173-Y253 HydrophobicContact CD2-CG 4.37Å; L173-Y253 HydrophobicContact CG-CE1 4.44Å; L173-Y253 HydrophobicContact CG-CE2 4.45Å; L173-Y253 WeakPolarHBondContact O-CE2 3.42Å; L173-Y253 PolarHBondContact O-OH 3.05Å; L176-Y253 HydrophobicContact CB-CE2 4.2Å; L176-Y253 HydrophobicContact CD2-CD2 3.73Å; L176-Y253 HydrophobicContact CD2-CE2 4.04Å; L176-Y253 HydrophobicContact CG-CD2 4.08Å; L176-Y253 HydrophobicContact CG-CE2 4.15Å; A177-Y253 HydrophobicContact CB-CE2 4.16Å; L180-Y253 HydrophobicContact CD1-CD2 3.96Å; D249-Y253 WeakPolarHBondContact O-CB 3.2Å; D249-Y253 PolarHBondContact O-N 3.28Å; W250-Y253 HydrophobicContact CE3-CD1 4.35Å; W250-Y253 HydrophobicContact CE3-CD2 4.23Å; W250-Y253 HydrophobicContact CE3-CG 4.01Å; W250-Y253 HydrophobicContact CZ3-CD2 4.03Å; W250-Y253 HydrophobicContact CZ3-CE2 4.16Å; W250-Y253 HydrophobicContact CZ3-CG 4.27Å; W251-Y253 PolarHBondContact O-N 2.91Å; Y253-L256 PolarHBondContact O-N 3.15Å; Y253-M257 WeakPolarHBondContact O-CB 3.36Å; Y253-M257 PolarHBondContact O-N 2.91Å; Y253-L301 HydrophobicContact CD1-CD1 3.82Å; Y253-L301 HydrophobicContact CD1-CD2 4.19Å; Y253-L301 HydrophobicContact CE1-CD1 4.17Å; Y253-F326 VanDerWaalsContact OH-CZ 3.29Å; Y253-F326 WeakPolarHBondContact OH-CZ 3.41Å
254	G	97.9	Very high	91.2	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65.8	-39.5	171.1	0	0	0	0	0	113.5	W250 W251 S252 M257 F258 F302	W250-G254 PolarHBondContact O-N 3.36Å; W250-G254 VanDerWaalsContact O-N 3.13Å; W251-G254 WeakPolarHBondContact O-CA 3.34Å; W251-G254 PolarHBondContact O-N 2.7Å; S252-G254 VanDerWaalsContact C-N 3.35Å; G254-M257 PolarHBondContact O-N 2.9Å; G254-F258 WeakPolarHBondContact O-CB 3.41Å; G254-F258 PolarHBondContact O-N 3.09Å; G254-F302 WeakPolarHBondContact O-CZ 3.45Å
255	V	97.5	Very high	91.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.2	-47.2	173.4	178.7	0	0	0	0	110.5	Y233 W251 S252 F258 E259 L265 P266 F302	Y233-V255 HydrophobicContact CD1-CB 3.82Å; Y233-V255 HydrophobicContact CD1-CG1 3.49Å; Y233-V255 VanDerWaalsContact CD1-CG1 3.49Å; Y233-V255 HydrophobicContact CE1-CB 4.17Å; Y233-V255 HydrophobicContact CE1-CG1 3.58Å; Y233-V255 HydrophobicContact CG-CG1 3.99Å; W251-V255 PolarHBondContact O-N 2.93Å; S252-V255 PolarHBondContact O-N 2.88Å; V255-F258 PolarHBondContact O-N 3.02Å; V255-E259 PolarHBondContact O-N 3.02Å; V255-L265 HydrophobicContact CG1-CD2 3.87Å; V255-P266 HydrophobicContact CB-CG 4.4Å; V255-P266 HydrophobicContact CG1-CG 4.07Å; V255-P266 HydrophobicContact CG2-CG 4.18Å; V255-F302 HydrophobicContact CG2-CE1 3.74Å; V255-F302 HydrophobicContact CG2-CZ 4.15Å
256	L	96.6	Very high	91.6	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-61.4	-45.6	177.1	-178.3	69.3	0	0	0	111.6	L173 L176 L193 P195 I198 Y233 S252 Y253 F258 E259 M260	L173-L256 HydrophobicContact CD2-CD2 4.34Å; L176-L256 HydrophobicContact CD2-CD2 3.39Å; L193-L256 HydrophobicContact CD1-CD2 4.47Å; L193-L256 HydrophobicContact CD2-CD2 4.44Å; L193-L256 HydrophobicContact CG-CD2 4.34Å; P195-L256 HydrophobicContact CB-CD1 4.15Å; P195-L256 HydrophobicContact CG-CD1 3.57Å; I198-L256 HydrophobicContact CD1-CD1 4.27Å; I198-L256 HydrophobicContact CD1-CD2 3.41Å; I198-L256 VanDerWaalsContact CD1-CD2 3.41Å; I198-L256 HydrophobicContact CD1-CG 4.48Å; Y233-L256 HydrophobicContact CE1-CB 4.46Å; S252-L256 WeakPolarHBondContact O-CB 3.45Å; S252-L256 PolarHBondContact O-N 2.91Å; Y253-L256 PolarHBondContact O-N 3.15Å; L256-F258 VanDerWaalsContact C-N 3.33Å; L256-F258 PolarHBondContact O-N 2.82Å; L256-E259 PolarHBondContact O-N 3.29Å; L256-M260 HydrophobicContact CD1-CG 4.31Å; L256-M260 HydrophobicContact CD1-SD 4.4Å; L256-M260 HydrophobicContact CD2-CE 4.36Å; L256-M260 HydrophobicContact CG-CE 3.96Å; L256-M260 HydrophobicContact CG-CG 4.44Å; L256-M260 HydrophobicContact CG-SD 4.25Å; L256-M260 WeakPolarHBondContact O-CB 3.42Å; L256-M260 VanDerWaalsContact O-CG 3.3Å; L256-M260 WeakPolarHBondContact O-CG 3.34Å; L256-M260 PolarHBondContact O-N 3.12Å
257	M	97.2	Very high	91.8	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-55.2	-48.6	174.1	179.2	178.2	178.5	0	0	111.3	V169 L173 Y253 G254 M260 L261 A294 L297 L298 L301 F325	V169-M257 HydrophobicContact CG1-CG 4.12Å; L173-M257 HydrophobicContact CD1-CB 3.6Å; L173-M257 HydrophobicContact CD1-CG 3.56Å; L173-M257 HydrophobicContact CD1-SD 3.94Å; L173-M257 HydrophobicContact CD2-CB 4.46Å; Y253-M257 WeakPolarHBondContact O-CB 3.36Å; Y253-M257 PolarHBondContact O-N 2.91Å; G254-M257 PolarHBondContact O-N 2.9Å; M257-M260 PolarHBondContact O-N 3.02Å; M257-L261 HydrophobicContact CE-CD1 3.61Å; M257-L261 HydrophobicContact CG-CD1 3.74Å; M257-L261 HydrophobicContact CG-CG 4.46Å; M257-L261 WeakPolarHBondContact O-CB 3.34Å; M257-L261 VanDerWaalsContact O-CG 3.23Å; M257-L261 WeakPolarHBondContact O-CG 3.2Å; M257-L261 PolarHBondContact O-N 3.25Å; M257-A294 HydrophobicContact CE-CB 3.95Å; M257-L297 HydrophobicContact CE-CB 4.11Å; M257-L297 HydrophobicContact CE-CD2 3.88Å; M257-L297 HydrophobicContact CE-CG 4.22Å; M257-L297 HydrophobicContact SD-CB 4.28Å; M257-L297 HydrophobicContact SD-CD2 3.66Å; M257-L297 HydrophobicContact SD-CG 3.84Å; M257-L298 HydrophobicContact CB-CD2 4.01Å; M257-L298 HydrophobicContact CE-CD2 4.35Å; M257-L298 HydrophobicContact CE-CG 3.99Å; M257-L298 HydrophobicContact CG-CD2 3.75Å; M257-L298 HydrophobicContact CG-CG 4.38Å; M257-L298 HydrophobicContact SD-CD2 3.65Å; M257-L298 HydrophobicContact SD-CG 3.88Å; M257-L301 HydrophobicContact SD-CD1 4.27Å; M257-F325 HydrophobicContact CE-CD1 4.5Å; M257-F325 HydrophobicContact CE-CD2 4.39Å; M257-F325 HydrophobicContact CE-CE1 4.15Å; M257-F325 HydrophobicContact CE-CE2 4.06Å; M257-F325 HydrophobicContact CE-CZ 3.94Å
258	F	93.9	Very high	91.7	Very high	12 Å²	12	12.1 Å²	12.1	5%	0.053	7%	0.069	C	C	.	.	H	α-helix	trans	-63.9	-43.1	-180	-171.3	-79.3	0	0	0	111.7	G254 V255 L256 L261 T262 T264 P266 L284 P287 L298 F302	G254-F258 WeakPolarHBondContact O-CB 3.41Å; G254-F258 PolarHBondContact O-N 3.09Å; V255-F258 PolarHBondContact O-N 3.02Å; L256-F258 VanDerWaalsContact C-N 3.33Å; L256-F258 PolarHBondContact O-N 2.82Å; F258-L261 PolarHBondContact O-N 2.91Å; F258-T262 HydrophobicContact CD1-CG2 4.1Å; F258-T262 WeakPolarHBondContact CD1-OG1 3.48Å; F258-T262 HydrophobicContact CE1-CG2 3.87Å; F258-T262 VanDerWaalsContact CE1-OG1 3.27Å; F258-T262 WeakPolarHBondContact CE1-OG1 3.45Å; F258-T262 HydrophobicContact CE2-CG2 4.33Å; F258-T262 HydrophobicContact CG-CG2 4.42Å; F258-T262 HydrophobicContact CZ-CG2 4Å; F258-T262 WeakPolarHBondContact O-CB 3.17Å; F258-T262 WeakPolarHBondContact O-CG2 3.37Å; F258-T262 PolarHBondContact O-N 3.04Å; F258-T262 PolarHBondContact O-OG1 2.87Å; F258-T264 VanDerWaalsContact CD1-O 3.27Å; F258-T264 WeakPolarHBondContact CD1-O 3.38Å; F258-P266 HydrophobicContact CB-CB 4.33Å; F258-P266 HydrophobicContact CB-CG 4.26Å; F258-P266 HydrophobicContact CD1-CB 3.73Å; F258-P266 HydrophobicContact CD1-CG 4.14Å; F258-P266 HydrophobicContact CD2-CB 4.08Å; F258-P266 HydrophobicContact CE1-CB 3.99Å; F258-P266 HydrophobicContact CE2-CB 4.31Å; F258-P266 HydrophobicContact CG-CB 3.78Å; F258-P266 HydrophobicContact CG-CG 4.2Å; F258-P266 HydrophobicContact CZ-CB 4.28Å; F258-L284 HydrophobicContact CD2-CD1 4.07Å; F258-L284 HydrophobicContact CE2-CD1 3.89Å; F258-P287 HydrophobicContact CE2-CG 4.13Å; F258-P287 HydrophobicContact CZ-CG 4.23Å; F258-L298 HydrophobicContact CB-CD2 4.07Å; F258-L298 HydrophobicContact CD2-CD1 4.19Å; F258-F302 HydrophobicContact CB-CE2 4.35Å; F258-F302 HydrophobicContact CB-CZ 4.39Å; F258-F302 HydrophobicContact CD2-CE2 4.5Å
259	E	91.6	Very high	91.3	Very high	3 Å²	3	12.7 Å²	12.7	1%	0.014	8%	0.076	C	C	.	.	H	α-helix	trans	-66.5	-42.9	179.2	-162.9	-174.2	-133.1	0	0	111.5	L158 P195 Y233 V255 L256 L261 T262 G263 T264 L265 R723	L158-E259 HydrophobicContact CD2-CG 4.02Å; P195-E259 WeakPolarHBondContact CG-OE2 3.44Å; Y233-E259 VanDerWaalsContact OH-CD 3.29Å; Y233-E259 PolarHBondContact OH-OE2 3.47Å; V255-E259 PolarHBondContact O-N 3.02Å; L256-E259 PolarHBondContact O-N 3.29Å; E259-L261 VanDerWaalsContact C-N 3.33Å; E259-L261 PolarHBondContact O-N 3.35Å; E259-T262 PolarHBondContact O-N 3.43Å; E259-G263 VanDerWaalsContact O-CA 3.25Å; E259-G263 WeakPolarHBondContact O-CA 3.15Å; E259-G263 PolarHBondContact O-N 2.88Å; E259-T264 VanDerWaalsContact CA-O 3.28Å; E259-T264 WeakPolarHBondContact CA-O 3.44Å; E259-L265 HydrophobicContact CB-CD2 4.4Å; E259-L265 HydrophobicContact CG-CD2 4.29Å; E259-R723 IonicContact OE1-NH1 3.08Å; E259-R723 PolarHBondContact OE1-NH1 3.27Å
260	M	86.3	Confident	90.8	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-62	-41.3	174.5	-68.1	-171.3	-57.7	0	0	111.3	L154 L158 M163 F164 V169 L173 L256 M257 T262	L154-M260 HydrophobicContact CD2-SD 3.78Å; L158-M260 HydrophobicContact CD2-CG 4.4Å; M163-M260 CarbonylContact C-O 3.56Å; M163-M260 WeakPolarHBondContact CA-O 3.46Å; M163-M260 WeakPolarHBondContact CB-O 3.25Å; F164-M260 HydrophobicContact CB-CB 4.26Å; F164-M260 HydrophobicContact CD2-CB 3.87Å; F164-M260 HydrophobicContact CD2-CG 3.78Å; F164-M260 HydrophobicContact CD2-SD 3.72Å; F164-M260 HydrophobicContact CE2-CG 4.11Å; F164-M260 HydrophobicContact CE2-SD 3.95Å; F164-M260 HydrophobicContact CG-CB 4.4Å; F164-M260 PolarHBondContact N-O 2.83Å; V169-M260 HydrophobicContact CB-CE 4.48Å; V169-M260 HydrophobicContact CG1-CE 4.03Å; V169-M260 HydrophobicContact CG2-CB 3.58Å; V169-M260 HydrophobicContact CG2-CE 4.23Å; L173-M260 HydrophobicContact CD1-CE 4.34Å; L173-M260 HydrophobicContact CD2-CE 3.56Å; L173-M260 HydrophobicContact CG-CE 3.68Å; L256-M260 HydrophobicContact CD1-CG 4.31Å; L256-M260 HydrophobicContact CD1-SD 4.4Å; L256-M260 HydrophobicContact CD2-CE 4.36Å; L256-M260 HydrophobicContact CG-CE 3.96Å; L256-M260 HydrophobicContact CG-CG 4.44Å; L256-M260 HydrophobicContact CG-SD 4.25Å; L256-M260 WeakPolarHBondContact O-CB 3.42Å; L256-M260 VanDerWaalsContact O-CG 3.3Å; L256-M260 WeakPolarHBondContact O-CG 3.34Å; L256-M260 PolarHBondContact O-N 3.12Å; M257-M260 PolarHBondContact O-N 3.02Å; M260-T262 PolarHBondContact O-N 3.13Å
261	L	83.6	Confident	90.3	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-76	-20.5	-178.2	-72	173.3	0	0	0	115.2	E166 V169 M257 F258 E259 L290 A294 L298	E166-L261 HydrophobicContact CB-CD2 4.43Å; E166-L261 HydrophobicContact CG-CD2 3.67Å; V169-L261 HydrophobicContact CB-CD2 3.97Å; V169-L261 HydrophobicContact CB-CG 4.41Å; V169-L261 HydrophobicContact CG1-CD1 4.44Å; V169-L261 HydrophobicContact CG1-CD2 4.09Å; V169-L261 HydrophobicContact CG1-CG 4.07Å; V169-L261 HydrophobicContact CG2-CD2 3.69Å; V169-L261 HydrophobicContact CG2-CG 4.02Å; M257-L261 HydrophobicContact CE-CD1 3.61Å; M257-L261 HydrophobicContact CG-CD1 3.74Å; M257-L261 HydrophobicContact CG-CG 4.46Å; M257-L261 WeakPolarHBondContact O-CB 3.34Å; M257-L261 VanDerWaalsContact O-CG 3.23Å; M257-L261 WeakPolarHBondContact O-CG 3.2Å; M257-L261 PolarHBondContact O-N 3.25Å; F258-L261 PolarHBondContact O-N 2.91Å; E259-L261 VanDerWaalsContact C-N 3.33Å; E259-L261 PolarHBondContact O-N 3.35Å; L261-L290 HydrophobicContact CB-CD2 3.98Å; L261-L290 HydrophobicContact CD1-CD1 4.3Å; L261-L290 HydrophobicContact CD1-CD2 4.18Å; L261-L290 HydrophobicContact CD2-CD2 4.35Å; L261-L290 HydrophobicContact CG-CD2 4.41Å; L261-A294 HydrophobicContact CD1-CB 4.31Å; L261-L298 HydrophobicContact CD1-CD1 4.46Å
262	T	78.1	Confident	89.8	Confident	19 Å²	19	33.2 Å²	33.2	12%	0.117	17%	0.165	C	C	.	.	H	α-helix	trans	-126.1	-13.6	-170.7	70.5	0	0	0	0	114.2	F258 E259 M260 T264 P287 F289	F258-T262 HydrophobicContact CD1-CG2 4.1Å; F258-T262 WeakPolarHBondContact CD1-OG1 3.48Å; F258-T262 HydrophobicContact CE1-CG2 3.87Å; F258-T262 VanDerWaalsContact CE1-OG1 3.27Å; F258-T262 WeakPolarHBondContact CE1-OG1 3.45Å; F258-T262 HydrophobicContact CE2-CG2 4.33Å; F258-T262 HydrophobicContact CG-CG2 4.42Å; F258-T262 HydrophobicContact CZ-CG2 4Å; F258-T262 WeakPolarHBondContact O-CB 3.17Å; F258-T262 WeakPolarHBondContact O-CG2 3.37Å; F258-T262 PolarHBondContact O-N 3.04Å; F258-T262 PolarHBondContact O-OG1 2.87Å; E259-T262 PolarHBondContact O-N 3.43Å; M260-T262 PolarHBondContact O-N 3.13Å; T262-T264 PolarHBondContact O-N 3.4Å; T262-T264 PolarHBondContact OG1-N 2.99Å; T262-T264 VanDerWaalsContact OG1-N 3.15Å; T262-T264 PolarHBondContact OG1-O 2.81Å; T262-T264 VanDerWaalsContact OG1-O 3.05Å; T262-T264 PolarHBondContact OG1-OG1 2.78Å; T262-P287 HydrophobicContact CG2-CG 3.69Å; T262-F289 HydrophobicContact CG2-CZ 4.14Å
263	G	76.4	Confident	89.5	Confident	10 Å²	10	40.7 Å²	40.7	10%	0.103	20%	0.197	C	C	.	.	S	Bend	trans	69.8	3.6	-170.1	0	0	0	0	0	114.3	V162 E259	V162-G263 WeakPolarHBondContact O-CA 3.26Å; E259-G263 VanDerWaalsContact O-CA 3.25Å; E259-G263 WeakPolarHBondContact O-CA 3.15Å; E259-G263 PolarHBondContact O-N 2.88Å
264	T	82.6	Confident	89.3	Confident	72 Å²	72	44.4 Å²	44.4	44%	0.442	21%	0.214	S	C	.	.	S	Bend	trans	-131	157.2	-175.1	65.6	0	0	0	0	111.4	F258 E259 T262	F258-T264 VanDerWaalsContact CD1-O 3.27Å; F258-T264 WeakPolarHBondContact CD1-O 3.38Å; E259-T264 VanDerWaalsContact CA-O 3.28Å; E259-T264 WeakPolarHBondContact CA-O 3.44Å; T262-T264 PolarHBondContact O-N 3.4Å; T262-T264 PolarHBondContact OG1-N 2.99Å; T262-T264 VanDerWaalsContact OG1-N 3.15Å; T262-T264 PolarHBondContact OG1-O 2.81Å; T262-T264 VanDerWaalsContact OG1-O 3.05Å; T262-T264 PolarHBondContact OG1-OG1 2.78Å
265	L	88.5	Confident	89	Confident	19 Å²	19	44.7 Å²	44.7	10%	0.099	22%	0.216	C	C	.	.			trans	-83.3	142.9	177.2	-72.6	165	0	0	0	110.2	E232 Y233 V255 E259 F267 Q268	E232-L265 HydrophobicContact CB-CD1 3.79Å; E232-L265 HydrophobicContact CB-CD2 4.37Å; E232-L265 HydrophobicContact CG-CD1 3.79Å; Y233-L265 HydrophobicContact CE2-CD2 3.93Å; V255-L265 HydrophobicContact CG1-CD2 3.87Å; E259-L265 HydrophobicContact CB-CD2 4.4Å; E259-L265 HydrophobicContact CG-CD2 4.29Å; L265-F267 VanDerWaalsContact C-N 3.31Å; L265-F267 PolarHBondContact O-N 3.4Å; L265-Q268 HydrophobicContact CB-CB 4.19Å
266	P	91.4	Very high	88.7	Confident	17 Å²	17	46.5 Å²	46.5	11%	0.11	23%	0.225	C	C	.	.	S	Bend	trans	-68	-31	-179.4	27	-34.3	0	0	0	112.9	V255 F258 L284 F302	V255-P266 HydrophobicContact CB-CG 4.4Å; V255-P266 HydrophobicContact CG1-CG 4.07Å; V255-P266 HydrophobicContact CG2-CG 4.18Å; F258-P266 HydrophobicContact CB-CB 4.33Å; F258-P266 HydrophobicContact CB-CG 4.26Å; F258-P266 HydrophobicContact CD1-CB 3.73Å; F258-P266 HydrophobicContact CD1-CG 4.14Å; F258-P266 HydrophobicContact CD2-CB 4.08Å; F258-P266 HydrophobicContact CE1-CB 3.99Å; F258-P266 HydrophobicContact CE2-CB 4.31Å; F258-P266 HydrophobicContact CG-CB 3.78Å; F258-P266 HydrophobicContact CG-CG 4.2Å; F258-P266 HydrophobicContact CZ-CB 4.28Å; P266-L284 HydrophobicContact CB-CD1 3.73Å; P266-F302 HydrophobicContact CB-CE2 4.49Å; P266-F302 HydrophobicContact CB-CZ 4.13Å; P266-F302 HydrophobicContact CG-CE1 4.36Å; P266-F302 HydrophobicContact CG-CZ 3.82Å
267	F	93.9	Very high	88.7	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.009	24%	0.243	C	C	.	.	S	Bend	trans	-134.8	104.9	179.6	-51.7	-67.6	0	0	0	109.4	W251 L265 M278 I279 A282 L284 F302	W251-F267 AromaticContact CH2-CE2 3.93Å; W251-F267 HydrophobicContact CH2-CE2 3.93Å; W251-F267 HydrophobicContact CH2-CZ 4.46Å; W251-F267 HydrophobicContact CZ2-CD2 4.01Å; W251-F267 AromaticContact CZ2-CE2 3.58Å; W251-F267 HydrophobicContact CZ2-CE2 3.58Å; L265-F267 VanDerWaalsContact C-N 3.31Å; L265-F267 PolarHBondContact O-N 3.4Å; F267-M278 HydrophobicContact CB-CB 4.17Å; F267-M278 HydrophobicContact CD1-CB 4.48Å; F267-I279 HydrophobicContact CB-CG1 3.88Å; F267-I279 HydrophobicContact CD2-CG1 4.4Å; F267-I279 HydrophobicContact CG-CG1 4.35Å; F267-A282 HydrophobicContact CD1-CB 4.12Å; F267-A282 HydrophobicContact CE1-CB 4.22Å; F267-L284 HydrophobicContact CZ-CB 4.4Å; F267-L284 HydrophobicContact CZ-CD1 4.16Å; F267-F302 HydrophobicContact CE2-CD1 4.07Å; F267-F302 HydrophobicContact CE2-CE1 4.08Å
268	Q	90.3	Very high	88.5	Confident	81 Å²	81	52.1 Å²	52.1	38%	0.379	26%	0.256	S	S	.	.			trans	-147.2	123	175.7	-172.2	176.4	17.1	0	0	110.1	L265 M278	L265-Q268 HydrophobicContact CB-CB 4.19Å; Q268-M278 VanDerWaalsContact O-SD 3.36Å
269	G	85.5	Confident	88.5	Confident	17 Å²	17	51.6 Å²	51.6	18%	0.175	25%	0.254	C	S	.	.			trans	-102.2	-179.5	173.4	0	0	0	0	0	112	D271 T275	G269-D271 PolarHBondContact O-N 3.43Å; G269-T275 PolarHBondContact N-OG1 3.46Å
270	K	84.9	Confident	88.6	Confident	201 Å²	201	53.6 Å²	53.6	87%	0.874	26%	0.264	S	S	*	.	S	Bend	trans	-67.2	-28.4	176.8	-60.9	176.4	-176.8	178.2	0	112.3	E274	K270-E274 VanDerWaalsContact CB-OE2 3.31Å; K270-E274 WeakPolarHBondContact CB-OE2 3.43Å; K270-E274 WeakPolarHBondContact CG-OE2 3.48Å; K270-E274 PolarHBondContact N-OE2 3.17Å
271	D	88.1	Confident	88.9	Confident	89 Å²	89	61.5 Å²	61.5	48%	0.476	30%	0.299	S	S	.	.	S	Bend	trans	-137.8	175.4	177.3	68.1	48.5	0	0	0	112.2	G269 K273 E274 T275	G269-D271 PolarHBondContact O-N 3.43Å; D271-K273 VanDerWaalsContact C-N 3.32Å; D271-K273 PolarHBondContact O-N 2.94Å; D271-K273 WeakPolarHBondContact OD1-CA 3.43Å; D271-K273 WeakPolarHBondContact OD1-CB 3.37Å; D271-K273 PolarHBondContact OD1-N 3.15Å; D271-E274 PolarHBondContact O-N 3.02Å; D271-E274 PolarHBondContact OD1-N 3.39Å; D271-T275 WeakPolarHBondContact O-CB 3.16Å; D271-T275 PolarHBondContact O-N 3.49Å; D271-T275 PolarHBondContact O-OG1 2.81Å
272	R	86.7	Confident	89.3	Confident	143 Å²	143	62.5 Å²	62.5	54%	0.54	31%	0.308	S	S	.	.	H	α-helix	trans	-61.9	-37.6	-178.7	-174.9	178.1	175.7	-153.2	-4.1	112.5	V231 M276	V231-R272 HydrophobicContact CG1-CG 4.25Å; V231-R272 HydrophobicContact CG2-CG 4.12Å; R272-M276 HydrophobicContact CG-CE 3.75Å; R272-M276 HydrophobicContact CG-SD 4.25Å; R272-M276 WeakPolarHBondContact O-CB 3.34Å; R272-M276 WeakPolarHBondContact O-CG 3.45Å; R272-M276 PolarHBondContact O-N 3.5Å
273	K	90.4	Very high	89.9	Confident	163 Å²	163	71 Å²	71	71%	0.709	34%	0.343	S	S	*	.	H	α-helix	trans	-72.1	-41.3	-177.2	-176.6	-176.7	178.5	-177.8	0	110.7	D271 T277	D271-K273 VanDerWaalsContact C-N 3.32Å; D271-K273 PolarHBondContact O-N 2.94Å; D271-K273 WeakPolarHBondContact OD1-CA 3.43Å; D271-K273 WeakPolarHBondContact OD1-CB 3.37Å; D271-K273 PolarHBondContact OD1-N 3.15Å; K273-T277 WeakPolarHBondContact O-CB 3.39Å; K273-T277 PolarHBondContact O-N 3.31Å; K273-T277 PolarHBondContact O-OG1 2.73Å
274	E	93.4	Very high	90.6	Very high	79 Å²	79	72.5 Å²	72.5	37%	0.369	35%	0.349	S	S	.	.	H	α-helix	trans	-64.4	-45.4	173.8	-170.2	176.9	-163.4	0	0	110.5	K270 D271 M276 T277 M278	K270-E274 VanDerWaalsContact CB-OE2 3.31Å; K270-E274 WeakPolarHBondContact CB-OE2 3.43Å; K270-E274 WeakPolarHBondContact CG-OE2 3.48Å; K270-E274 PolarHBondContact N-OE2 3.17Å; D271-E274 PolarHBondContact O-N 3.02Å; D271-E274 PolarHBondContact OD1-N 3.39Å; E274-M276 PolarHBondContact O-N 2.92Å; E274-T277 CarbonylContact O-C 3.57Å; E274-T277 WeakPolarHBondContact O-CA 3.32Å; E274-T277 WeakPolarHBondContact O-CB 3.26Å; E274-T277 PolarHBondContact O-N 3.03Å; E274-M278 WeakPolarHBondContact O-CG 3.29Å; E274-M278 PolarHBondContact O-N 2.95Å
275	T	92.2	Very high	90.8	Very high	5 Å²	5	71.8 Å²	71.8	3%	0.031	36%	0.355	C	S	.	.	H	α-helix	trans	-57.5	-48	175.9	-59.1	0	0	0	0	111.8	V231 E232 G269 D271 T277 M278 I279	V231-T275 HydrophobicContact CG1-CG2 4.1Å; E232-T275 HydrophobicContact CG-CG2 4.22Å; G269-T275 PolarHBondContact N-OG1 3.46Å; D271-T275 WeakPolarHBondContact O-CB 3.16Å; D271-T275 PolarHBondContact O-N 3.49Å; D271-T275 PolarHBondContact O-OG1 2.81Å; T275-T277 VanDerWaalsContact C-N 3.29Å; T275-T277 PolarHBondContact O-N 3.34Å; T275-M278 PolarHBondContact O-N 3.48Å; T275-I279 HydrophobicContact CG2-CD1 4.16Å; T275-I279 WeakPolarHBondContact O-CG1 3.49Å; T275-I279 PolarHBondContact O-N 2.89Å
276	M	92.1	Very high	90.8	Very high	39 Å²	39	73.2 Å²	73.2	19%	0.192	36%	0.362	C	S	.	.	H	α-helix	trans	-58	-42.2	173.7	-73	169.1	172.5	0	0	111.9	F227 V231 V239 R272 E274 M278 I279 L280	F227-M276 HydrophobicContact CE1-CE 4.42Å; F227-M276 HydrophobicContact CE2-CE 4.21Å; F227-M276 HydrophobicContact CZ-CE 3.55Å; V231-M276 HydrophobicContact CG1-CE 4.2Å; V231-M276 HydrophobicContact CG1-CG 3.97Å; V231-M276 HydrophobicContact CG2-CE 4.29Å; V239-M276 HydrophobicContact CG1-CB 3.92Å; V239-M276 HydrophobicContact CG1-CG 3.95Å; R272-M276 HydrophobicContact CG-CE 3.75Å; R272-M276 HydrophobicContact CG-SD 4.25Å; R272-M276 WeakPolarHBondContact O-CB 3.34Å; R272-M276 WeakPolarHBondContact O-CG 3.45Å; R272-M276 PolarHBondContact O-N 3.5Å; E274-M276 PolarHBondContact O-N 2.92Å; M276-M278 VanDerWaalsContact C-N 3.33Å; M276-M278 PolarHBondContact O-N 3.08Å; M276-I279 PolarHBondContact O-N 2.88Å; M276-L280 VanDerWaalsContact O-CG 3.27Å; M276-L280 WeakPolarHBondContact O-CG 3.41Å; M276-L280 PolarHBondContact O-N 2.99Å; M276-L280 VanDerWaalsContact O-N 3.07Å
277	T	94.7	Very high	90.3	Very high	64 Å²	64	73.4 Å²	73.4	39%	0.393	36%	0.363	S	S	.	.	H	α-helix	trans	-63.3	-40.5	178	-57.9	0	0	0	0	111.3	K273 E274 T275 L280 K281	K273-T277 WeakPolarHBondContact O-CB 3.39Å; K273-T277 PolarHBondContact O-N 3.31Å; K273-T277 PolarHBondContact O-OG1 2.73Å; E274-T277 CarbonylContact O-C 3.57Å; E274-T277 WeakPolarHBondContact O-CA 3.32Å; E274-T277 WeakPolarHBondContact O-CB 3.26Å; E274-T277 PolarHBondContact O-N 3.03Å; T275-T277 VanDerWaalsContact C-N 3.29Å; T275-T277 PolarHBondContact O-N 3.34Å; T277-L280 PolarHBondContact O-N 3.44Å; T277-K281 HydrophobicContact CG2-CD 4.26Å; T277-K281 WeakPolarHBondContact O-CB 3.43Å; T277-K281 PolarHBondContact O-N 3.47Å
278	M	94.3	Very high	89.6	Confident	55 Å²	55	82.3 Å²	82.3	27%	0.271	41%	0.405	S	S	.	.	H	α-helix	trans	-64.8	-46.9	176.5	-69.8	180	73.7	0	0	111.8	F267 Q268 E274 T275 M276 L280 K281 A282	F267-M278 HydrophobicContact CB-CB 4.17Å; F267-M278 HydrophobicContact CD1-CB 4.48Å; Q268-M278 VanDerWaalsContact O-SD 3.36Å; E274-M278 WeakPolarHBondContact O-CG 3.29Å; E274-M278 PolarHBondContact O-N 2.95Å; T275-M278 PolarHBondContact O-N 3.48Å; M276-M278 VanDerWaalsContact C-N 3.33Å; M276-M278 PolarHBondContact O-N 3.08Å; M278-L280 PolarHBondContact O-N 3.42Å; M278-K281 PolarHBondContact O-N 3.46Å; M278-A282 HydrophobicContact CB-CB 4.01Å; M278-A282 HydrophobicContact CG-CB 4.37Å; M278-A282 WeakPolarHBondContact O-CB 3.41Å; M278-A282 PolarHBondContact O-N 2.99Å
279	I	94.1	Very high	88.9	Confident	0 Å²	0	84.8 Å²	84.8	0%	0	41%	0.414	C	S	.	.	H	α-helix	trans	-53.3	-46.5	174.9	-68.8	165.1	0	0	0	110	V231 P236 V239 W251 F267 T275 M276 R304	V231-I279 HydrophobicContact CG1-CD1 4.49Å; V231-I279 WeakPolarHBondContact O-CD1 3.34Å; P236-I279 HydrophobicContact CB-CG2 4.49Å; P236-I279 HydrophobicContact CG-CG2 4.06Å; V239-I279 HydrophobicContact CG2-CD1 4.34Å; V239-I279 HydrophobicContact CG2-CG2 4.08Å; W251-I279 HydrophobicContact CZ2-CG2 4.09Å; F267-I279 HydrophobicContact CB-CG1 3.88Å; F267-I279 HydrophobicContact CD2-CG1 4.4Å; F267-I279 HydrophobicContact CG-CG1 4.35Å; T275-I279 HydrophobicContact CG2-CD1 4.16Å; T275-I279 WeakPolarHBondContact O-CG1 3.49Å; T275-I279 PolarHBondContact O-N 2.89Å; M276-I279 PolarHBondContact O-N 2.88Å; I279-R304 PolarHBondContact O-NH2 2.65Å
280	L	93.3	Very high	88.7	Confident	45 Å²	45	84.4 Å²	84.4	24%	0.236	41%	0.408	C	S	.	.	H	α-helix	trans	-70.8	-37.1	-178	-66.7	178.8	0	0	0	113.9	P236 V239 N240 M276 T277 M278 R304	P236-L280 HydrophobicContact CB-CD2 4.04Å; V239-L280 HydrophobicContact CB-CD2 4.22Å; V239-L280 HydrophobicContact CG1-CD1 4.04Å; V239-L280 HydrophobicContact CG1-CD2 4.16Å; V239-L280 HydrophobicContact CG1-CG 4.04Å; N240-L280 VanDerWaalsContact ND2-CD2 3.32Å; N240-L280 WeakPolarHBondContact ND2-CD2 3.36Å; N240-L280 WeakPolarHBondContact OD1-CD1 3.15Å; N240-L280 WeakPolarHBondContact OD1-CD2 3.09Å; M276-L280 VanDerWaalsContact O-CG 3.27Å; M276-L280 WeakPolarHBondContact O-CG 3.41Å; M276-L280 PolarHBondContact O-N 2.99Å; M276-L280 VanDerWaalsContact O-N 3.07Å; T277-L280 PolarHBondContact O-N 3.44Å; M278-L280 PolarHBondContact O-N 3.42Å; L280-R304 PolarHBondContact O-NE 2.69Å
281	K	92.8	Very high	88.7	Confident	167 Å²	167	76.5 Å²	76.5	73%	0.726	38%	0.378	S	S	*	.	H	α-helix	trans	-126.1	-26.4	-164.6	-59.6	-176.5	-178.8	179.3	0	116	T277 M278	T277-K281 HydrophobicContact CG2-CD 4.26Å; T277-K281 WeakPolarHBondContact O-CB 3.43Å; T277-K281 PolarHBondContact O-N 3.47Å; M278-K281 PolarHBondContact O-N 3.46Å
282	A	92.1	Very high	88.8	Confident	26 Å²	26	76 Å²	76	22%	0.215	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-70.1	144.2	-171.7	0	0	0	0	0	112.6	F267 M278 R304	F267-A282 HydrophobicContact CD1-CB 4.12Å; F267-A282 HydrophobicContact CE1-CB 4.22Å; M278-A282 HydrophobicContact CB-CB 4.01Å; M278-A282 HydrophobicContact CG-CB 4.37Å; M278-A282 WeakPolarHBondContact O-CB 3.41Å; M278-A282 PolarHBondContact O-N 2.99Å; A282-R304 VanDerWaalsContact O-CZ 3.32Å; A282-R304 PolarHBondContact O-NH1 2.99Å; A282-R304 VanDerWaalsContact O-NH1 3.16Å; A282-R304 PolarHBondContact O-NH2 3.41Å
283	K	90.3	Very high	89.1	Confident	198 Å²	198	72.9 Å²	72.9	86%	0.861	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-75.7	140.9	168.8	-68.1	-178.6	179.8	178.4	0	108.8	G285	K283-G285 PolarHBondContact O-N 3.49Å
284	L	91.1	Very high	89.2	Confident	41 Å²	41	65.1 Å²	65.1	22%	0.215	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-66.1	120.3	173.5	-179.6	70.1	0	0	0	109	F258 P266 F267 M286 F302	F258-L284 HydrophobicContact CD2-CD1 4.07Å; F258-L284 HydrophobicContact CE2-CD1 3.89Å; P266-L284 HydrophobicContact CB-CD1 3.73Å; F267-L284 HydrophobicContact CZ-CB 4.4Å; F267-L284 HydrophobicContact CZ-CD1 4.16Å; L284-M286 HydrophobicContact CD2-CE 3.65Å; L284-M286 PolarHBondContact O-N 3.49Å; L284-F302 HydrophobicContact CD1-CD2 4Å; L284-F302 HydrophobicContact CD1-CE2 3.92Å; L284-F302 HydrophobicContact CD2-CB 4.46Å; L284-F302 HydrophobicContact CD2-CD2 3.46Å; L284-F302 VanDerWaalsContact CD2-CD2 3.46Å; L284-F302 HydrophobicContact CD2-CE2 4.03Å; L284-F302 HydrophobicContact CD2-CG 4.3Å; L284-F302 HydrophobicContact CG-CD2 4.33Å
285	G	87.3	Confident	89.3	Confident	56 Å²	56	63.8 Å²	63.8	58%	0.577	33%	0.333	S	S	*	.			trans	-75.1	103.7	169.1	0	0	0	0	0	109.3	K283 P287	K283-G285 PolarHBondContact O-N 3.49Å; G285-P287 WeakPolarHBondContact O-CD 3.3Å
286	M	88.2	Confident	89.5	Confident	49 Å²	49	65 Å²	65	24%	0.241	34%	0.342	C	S	.	.			trans	-81.4	120.7	-178.4	-168.4	61.9	73.9	0	0	110.7	L284 Q288 L290 Q295 L298 R299	L284-M286 HydrophobicContact CD2-CE 3.65Å; L284-M286 PolarHBondContact O-N 3.49Å; M286-Q288 PolarHBondContact O-N 2.97Å; M286-L290 HydrophobicContact SD-CD1 4.44Å; M286-Q295 HydrophobicContact CE-CB 4.19Å; M286-Q295 WeakPolarHBondContact CE-O 3.4Å; M286-Q295 HydrophobicContact CG-CB 4.07Å; M286-Q295 HydrophobicContact CG-CG 3.61Å; M286-Q295 HydrophobicContact SD-CB 3.92Å; M286-Q295 HydrophobicContact SD-CG 3.71Å; M286-L298 HydrophobicContact CE-CB 3.94Å; M286-L298 HydrophobicContact CE-CD1 4.5Å; M286-L298 HydrophobicContact SD-CB 4.49Å; M286-L298 HydrophobicContact SD-CD1 3.99Å; M286-R299 HydrophobicContact CE-CG 3.8Å
287	P	79.9	Confident	89.8	Confident	22 Å²	22	63.1 Å²	63.1	14%	0.143	33%	0.333	C	S	.	.			trans	-69	131.3	176.4	-10.8	24	0	0	0	111.3	F258 T262 G285 F289 L290	F258-P287 HydrophobicContact CE2-CG 4.13Å; F258-P287 HydrophobicContact CZ-CG 4.23Å; T262-P287 HydrophobicContact CG2-CG 3.69Å; G285-P287 WeakPolarHBondContact O-CD 3.3Å; P287-F289 VanDerWaalsContact C-N 3.26Å; P287-F289 HydrophobicContact CB-CD1 3.7Å; P287-F289 HydrophobicContact CB-CE1 3.3Å; P287-F289 HydrophobicContact CB-CE2 4.37Å; P287-F289 HydrophobicContact CB-CG 4.4Å; P287-F289 HydrophobicContact CB-CZ 3.67Å; P287-F289 HydrophobicContact CG-CE1 4.26Å; P287-F289 HydrophobicContact CG-CZ 4.26Å; P287-F289 PolarHBondContact O-N 2.64Å; P287-L290 HydrophobicContact CB-CD1 4.3Å; P287-L290 HydrophobicContact CB-CG 4.15Å; P287-L290 HydrophobicContact CG-CD1 3.92Å; P287-L290 HydrophobicContact CG-CG 4.3Å; P287-L290 PolarHBondContact O-N 2.68Å
288	Q	79.4	Confident	90	Very high	188 Å²	188	60 Å²	60	88%	0.879	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-18.9	-176	-67.7	-175.8	-16.6	0	0	113.8	M286 L290	M286-Q288 PolarHBondContact O-N 2.97Å; Q288-L290 VanDerWaalsContact C-N 3.29Å; Q288-L290 PolarHBondContact O-N 2.81Å
289	F	76.9	Confident	90.1	Very high	133 Å²	133	64.1 Å²	64.1	58%	0.583	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-11.2	179.6	63.8	-101.1	0	0	0	113.7	T262 P287	T262-F289 HydrophobicContact CG2-CZ 4.14Å; P287-F289 VanDerWaalsContact C-N 3.26Å; P287-F289 HydrophobicContact CB-CD1 3.7Å; P287-F289 HydrophobicContact CB-CE1 3.3Å; P287-F289 HydrophobicContact CB-CE2 4.37Å; P287-F289 HydrophobicContact CB-CG 4.4Å; P287-F289 HydrophobicContact CB-CZ 3.67Å; P287-F289 HydrophobicContact CG-CE1 4.26Å; P287-F289 HydrophobicContact CG-CZ 4.26Å; P287-F289 PolarHBondContact O-N 2.64Å
290	L	80.9	Confident	90.2	Very high	9 Å²	9	66.4 Å²	66.4	5%	0.047	34%	0.339	C	S	.	.	S	Bend	trans	-78	148.5	177.9	-62.2	-177.4	0	0	0	111.2	E166 L261 M286 P287 Q288 A294 Q295 L298	E166-L290 WeakPolarHBondContact OE1-CA 3.28Å; L261-L290 HydrophobicContact CB-CD2 3.98Å; L261-L290 HydrophobicContact CD1-CD1 4.3Å; L261-L290 HydrophobicContact CD1-CD2 4.18Å; L261-L290 HydrophobicContact CD2-CD2 4.35Å; L261-L290 HydrophobicContact CG-CD2 4.41Å; M286-L290 HydrophobicContact SD-CD1 4.44Å; P287-L290 HydrophobicContact CB-CD1 4.3Å; P287-L290 HydrophobicContact CB-CG 4.15Å; P287-L290 HydrophobicContact CG-CD1 3.92Å; P287-L290 HydrophobicContact CG-CG 4.3Å; P287-L290 PolarHBondContact O-N 2.68Å; Q288-L290 VanDerWaalsContact C-N 3.29Å; Q288-L290 PolarHBondContact O-N 2.81Å; L290-A294 HydrophobicContact CB-CB 4.28Å; L290-Q295 HydrophobicContact CB-CG 3.81Å; L290-Q295 PolarHBondContact O-NE2 3.26Å; L290-L298 HydrophobicContact CD1-CD1 3.77Å
291	S	84.8	Confident	90.4	Very high	35 Å²	35	64.3 Å²	64.3	25%	0.245	33%	0.328	C	S	.	.			trans	-61	157.9	173.7	72.5	0	0	0	0	112.3	E166 E293 A294 Q295	E166-S291 PolarHBondContact OE1-N 3.38Å; E166-S291 PolarHBondContact OE1-OG 3.21Å; E166-S291 WeakPolarHBondContact OE2-CB 3.49Å; E166-S291 PolarHBondContact OE2-OG 2.98Å; S291-E293 WeakPolarHBondContact CB-OE2 3.49Å; S291-E293 PolarHBondContact O-N 3.33Å; S291-A294 PolarHBondContact O-N 3.3Å; S291-A294 WeakPolarHBondContact OG-CB 3.32Å; S291-A294 PolarHBondContact OG-N 3.49Å; S291-Q295 WeakPolarHBondContact O-CB 3.38Å; S291-Q295 VanDerWaalsContact O-CG 3.26Å; S291-Q295 WeakPolarHBondContact O-CG 3.46Å; S291-Q295 PolarHBondContact O-N 2.94Å
292	S	90.2	Very high	90.6	Very high	78 Å²	78	57.2 Å²	57.2	55%	0.545	30%	0.297	S	S	.	.	H	α-helix	trans	-59.9	-32.1	177.8	73.2	0	0	0	0	112.1	S296	S292-S296 WeakPolarHBondContact O-CB 3.09Å; S292-S296 PolarHBondContact O-N 3.23Å
293	E	93.2	Very high	90.8	Very high	78 Å²	78	60.2 Å²	60.2	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-70.3	-48.6	178.5	-65.2	78	179.8	0	0	110.7	S291 S296 L297 H323 F325	S291-E293 WeakPolarHBondContact CB-OE2 3.49Å; S291-E293 PolarHBondContact O-N 3.33Å; E293-S296 WeakPolarHBondContact O-CB 3.47Å; E293-S296 PolarHBondContact O-N 3.12Å; E293-L297 PolarHBondContact O-N 3.47Å; E293-H323 PolarHBondContact O-CE1 2.94Å; E293-F325 HydrophobicContact CB-CB 4.35Å; E293-F325 HydrophobicContact CB-CD2 4.32Å
294	A	93.1	Very high	91	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-46	176	0	0	0	0	0	111.2	M257 L261 L290 S291 S296 L297 L298 F325	M257-A294 HydrophobicContact CE-CB 3.95Å; L261-A294 HydrophobicContact CD1-CB 4.31Å; L290-A294 HydrophobicContact CB-CB 4.28Å; S291-A294 PolarHBondContact O-N 3.3Å; S291-A294 WeakPolarHBondContact OG-CB 3.32Å; S291-A294 PolarHBondContact OG-N 3.49Å; A294-S296 VanDerWaalsContact C-N 3.3Å; A294-S296 PolarHBondContact O-N 3.14Å; A294-L297 PolarHBondContact O-N 3.42Å; A294-L298 WeakPolarHBondContact O-CG 3.2Å; A294-L298 PolarHBondContact O-N 3.42Å; A294-F325 HydrophobicContact CB-CD2 4.06Å; A294-F325 HydrophobicContact CB-CE2 3.84Å
295	Q	94.1	Very high	91.1	Very high	51 Å²	51	57 Å²	57	24%	0.238	29%	0.291	C	S	.	.	H	α-helix	trans	-62.3	-36.9	175.7	-65	-176	37.9	0	0	112.4	M286 L290 S291 R299	M286-Q295 HydrophobicContact CE-CB 4.19Å; M286-Q295 WeakPolarHBondContact CE-O 3.4Å; M286-Q295 HydrophobicContact CG-CB 4.07Å; M286-Q295 HydrophobicContact CG-CG 3.61Å; M286-Q295 HydrophobicContact SD-CB 3.92Å; M286-Q295 HydrophobicContact SD-CG 3.71Å; L290-Q295 HydrophobicContact CB-CG 3.81Å; L290-Q295 PolarHBondContact O-NE2 3.26Å; S291-Q295 WeakPolarHBondContact O-CB 3.38Å; S291-Q295 VanDerWaalsContact O-CG 3.26Å; S291-Q295 WeakPolarHBondContact O-CG 3.46Å; S291-Q295 PolarHBondContact O-N 2.94Å; Q295-R299 VanDerWaalsContact O-CG 3.31Å; Q295-R299 WeakPolarHBondContact O-CG 3.27Å; Q295-R299 PolarHBondContact O-N 3.49Å; Q295-R299 VanDerWaalsContact O-N 3.15Å; Q295-R299 PolarHBondContact O-NE 2.95Å
296	S	97.4	Very high	91.3	Very high	30 Å²	30	56.1 Å²	56.1	21%	0.21	28%	0.275	C	S	.	.	H	α-helix	trans	-63.6	-48.8	174.9	179.1	0	0	0	0	111.3	S292 E293 A294 L298 R299 N300 H323	S292-S296 WeakPolarHBondContact O-CB 3.09Å; S292-S296 PolarHBondContact O-N 3.23Å; E293-S296 WeakPolarHBondContact O-CB 3.47Å; E293-S296 PolarHBondContact O-N 3.12Å; A294-S296 VanDerWaalsContact C-N 3.3Å; A294-S296 PolarHBondContact O-N 3.14Å; S296-L298 PolarHBondContact O-N 2.87Å; S296-R299 PolarHBondContact O-N 2.92Å; S296-N300 PolarHBondContact O-N 3.21Å; S296-N300 VanDerWaalsContact O-N 3.14Å; S296-N300 PolarHBondContact O-ND2 3.04Å; S296-H323 PolarHBondContact OG-NE2 2.83Å
297	L	98.1	Very high	91.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.5	-48.4	-179.5	-176.8	53.2	0	0	0	111.2	M257 E293 A294 R299 N300 L301 L310 H323 F325 F326	M257-L297 HydrophobicContact CE-CB 4.11Å; M257-L297 HydrophobicContact CE-CD2 3.88Å; M257-L297 HydrophobicContact CE-CG 4.22Å; M257-L297 HydrophobicContact SD-CB 4.28Å; M257-L297 HydrophobicContact SD-CD2 3.66Å; M257-L297 HydrophobicContact SD-CG 3.84Å; E293-L297 PolarHBondContact O-N 3.47Å; A294-L297 PolarHBondContact O-N 3.42Å; L297-R299 VanDerWaalsContact C-N 3.32Å; L297-R299 PolarHBondContact O-N 3.27Å; L297-N300 PolarHBondContact O-N 3Å; L297-L301 HydrophobicContact CD1-CD1 3.9Å; L297-L301 HydrophobicContact CD1-CG 4.08Å; L297-L301 HydrophobicContact CG-CD1 3.78Å; L297-L301 HydrophobicContact CG-CG 4.41Å; L297-L301 WeakPolarHBondContact O-CG 3.4Å; L297-L301 PolarHBondContact O-N 3.01Å; L297-L310 HydrophobicContact CD1-CD2 3.52Å; L297-H323 HydrophobicContact CD1-CB 4.4Å; L297-H323 PolarHBondContact N-CE1 2.77Å; L297-H323 PolarHBondContact N-NE2 2.95Å; L297-F325 HydrophobicContact CB-CB 4.42Å; L297-F325 HydrophobicContact CD2-CB 3.91Å; L297-F325 HydrophobicContact CD2-CD1 3.48Å; L297-F325 VanDerWaalsContact CD2-CD1 3.48Å; L297-F325 HydrophobicContact CD2-CE1 4.19Å; L297-F325 HydrophobicContact CD2-CG 3.81Å; L297-F326 HydrophobicContact CD2-CD2 4.48Å; L297-F326 HydrophobicContact CD2-CE2 3.56Å; L297-F326 HydrophobicContact CD2-CZ 3.92Å
298	L	98	Very high	92.1	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-57.7	-41.9	176.9	-71.6	170.7	0	0	0	112.1	M257 F258 L261 M286 L290 A294 S296 N300 L301 F302	M257-L298 HydrophobicContact CB-CD2 4.01Å; M257-L298 HydrophobicContact CE-CD2 4.35Å; M257-L298 HydrophobicContact CE-CG 3.99Å; M257-L298 HydrophobicContact CG-CD2 3.75Å; M257-L298 HydrophobicContact CG-CG 4.38Å; M257-L298 HydrophobicContact SD-CD2 3.65Å; M257-L298 HydrophobicContact SD-CG 3.88Å; F258-L298 HydrophobicContact CB-CD2 4.07Å; F258-L298 HydrophobicContact CD2-CD1 4.19Å; L261-L298 HydrophobicContact CD1-CD1 4.46Å; M286-L298 HydrophobicContact CE-CB 3.94Å; M286-L298 HydrophobicContact CE-CD1 4.5Å; M286-L298 HydrophobicContact SD-CB 4.49Å; M286-L298 HydrophobicContact SD-CD1 3.99Å; L290-L298 HydrophobicContact CD1-CD1 3.77Å; A294-L298 WeakPolarHBondContact O-CG 3.2Å; A294-L298 PolarHBondContact O-N 3.42Å; S296-L298 PolarHBondContact O-N 2.87Å; L298-N300 VanDerWaalsContact C-N 3.27Å; L298-N300 PolarHBondContact O-N 3.32Å; L298-L301 PolarHBondContact O-N 3.22Å; L298-F302 HydrophobicContact CB-CD2 4.34Å; L298-F302 HydrophobicContact CD2-CD2 4.44Å; L298-F302 HydrophobicContact CD2-CE2 3.85Å; L298-F302 WeakPolarHBondContact O-CB 3.33Å; L298-F302 WeakPolarHBondContact O-CD2 3.41Å; L298-F302 PolarHBondContact O-N 3.02Å
299	R	96.9	Very high	92.9	Very high	140 Å²	140	52.6 Å²	52.6	53%	0.528	27%	0.272	S	S	.	.	H	α-helix	trans	-62.3	-33.9	176.5	-79.3	-178	-68.6	155.5	-3.7	113	M286 Q295 S296 L297 K303	M286-R299 HydrophobicContact CE-CG 3.8Å; Q295-R299 VanDerWaalsContact O-CG 3.31Å; Q295-R299 WeakPolarHBondContact O-CG 3.27Å; Q295-R299 PolarHBondContact O-N 3.49Å; Q295-R299 VanDerWaalsContact O-N 3.15Å; Q295-R299 PolarHBondContact O-NE 2.95Å; S296-R299 PolarHBondContact O-N 2.92Å; L297-R299 VanDerWaalsContact C-N 3.32Å; L297-R299 PolarHBondContact O-N 3.27Å; R299-K303 WeakPolarHBondContact O-CE 3.11Å
300	N	96.9	Very high	93.8	Very high	49 Å²	49	47.6 Å²	47.6	26%	0.262	25%	0.251	S	S	.	.	H	α-helix	trans	-81.8	-31.1	-179	-66.1	-27.1	0	0	0	112.3	S296 L297 L298 K303 L310	S296-N300 PolarHBondContact O-N 3.21Å; S296-N300 VanDerWaalsContact O-N 3.14Å; S296-N300 PolarHBondContact O-ND2 3.04Å; L297-N300 PolarHBondContact O-N 3Å; L298-N300 VanDerWaalsContact C-N 3.27Å; L298-N300 PolarHBondContact O-N 3.32Å; N300-K303 VanDerWaalsContact O-CG 3.31Å; N300-K303 WeakPolarHBondContact O-CG 3.29Å; N300-L310 HydrophobicContact CB-CB 3.96Å; N300-L310 HydrophobicContact CB-CD2 4.22Å; N300-L310 PolarHBondContact O-N 3.44Å; N300-L310 VanDerWaalsContact O-N 3.15Å
301	L	97.5	Very high	94.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-75.8	-35.6	173.8	-66.1	167.6	0	0	0	112.4	W250 Y253 M257 L297 L298 K303 R309 L310	W250-L301 HydrophobicContact CB-CD2 4.32Å; Y253-L301 HydrophobicContact CD1-CD1 3.82Å; Y253-L301 HydrophobicContact CD1-CD2 4.19Å; Y253-L301 HydrophobicContact CE1-CD1 4.17Å; M257-L301 HydrophobicContact SD-CD1 4.27Å; L297-L301 HydrophobicContact CD1-CD1 3.9Å; L297-L301 HydrophobicContact CD1-CG 4.08Å; L297-L301 HydrophobicContact CG-CD1 3.78Å; L297-L301 HydrophobicContact CG-CG 4.41Å; L297-L301 WeakPolarHBondContact O-CG 3.4Å; L297-L301 PolarHBondContact O-N 3.01Å; L298-L301 PolarHBondContact O-N 3.22Å; L301-K303 PolarHBondContact O-N 2.98Å; L301-K303 VanDerWaalsContact O-N 3.16Å; L301-R309 VanDerWaalsContact O-CD 3.27Å; L301-R309 WeakPolarHBondContact O-CD 3.39Å; L301-R309 VanDerWaalsContact O-CG 3.26Å; L301-R309 WeakPolarHBondContact O-CG 3.4Å; L301-R309 PolarHBondContact O-NE 3.48Å; L301-L310 HydrophobicContact CD2-CB 4.36Å
302	F	97	Very high	94.5	Very high	18 Å²	18	46.8 Å²	46.8	8%	0.079	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	28.3	179.4	-70	-55.4	0	0	0	114.7	W251 G254 V255 F258 P266 F267 L284 L298 R304	W251-F302 HydrophobicContact CD2-CD1 4Å; W251-F302 HydrophobicContact CD2-CE1 4.37Å; W251-F302 AromaticContact CE2-CD1 3.98Å; W251-F302 AromaticContact CE3-CD1 3.92Å; W251-F302 HydrophobicContact CE3-CD1 3.92Å; W251-F302 AromaticContact CH2-CD1 3.86Å; W251-F302 HydrophobicContact CH2-CD1 3.86Å; W251-F302 AromaticContact CZ2-CD1 3.93Å; W251-F302 HydrophobicContact CZ2-CD1 3.93Å; W251-F302 HydrophobicContact CZ2-CE1 4.29Å; W251-F302 HydrophobicContact CZ3-CB 4.25Å; W251-F302 AromaticContact CZ3-CD1 3.86Å; W251-F302 HydrophobicContact CZ3-CD1 3.86Å; G254-F302 WeakPolarHBondContact O-CZ 3.45Å; V255-F302 HydrophobicContact CG2-CE1 3.74Å; V255-F302 HydrophobicContact CG2-CZ 4.15Å; F258-F302 HydrophobicContact CB-CE2 4.35Å; F258-F302 HydrophobicContact CB-CZ 4.39Å; F258-F302 HydrophobicContact CD2-CE2 4.5Å; P266-F302 HydrophobicContact CB-CE2 4.49Å; P266-F302 HydrophobicContact CB-CZ 4.13Å; P266-F302 HydrophobicContact CG-CE1 4.36Å; P266-F302 HydrophobicContact CG-CZ 3.82Å; F267-F302 HydrophobicContact CE2-CD1 4.07Å; F267-F302 HydrophobicContact CE2-CE1 4.08Å; L284-F302 HydrophobicContact CD1-CD2 4Å; L284-F302 HydrophobicContact CD1-CE2 3.92Å; L284-F302 HydrophobicContact CD2-CB 4.46Å; L284-F302 HydrophobicContact CD2-CD2 3.46Å; L284-F302 VanDerWaalsContact CD2-CD2 3.46Å; L284-F302 HydrophobicContact CD2-CE2 4.03Å; L284-F302 HydrophobicContact CD2-CG 4.3Å; L284-F302 HydrophobicContact CG-CD2 4.33Å; L298-F302 HydrophobicContact CB-CD2 4.34Å; L298-F302 HydrophobicContact CD2-CD2 4.44Å; L298-F302 HydrophobicContact CD2-CE2 3.85Å; L298-F302 WeakPolarHBondContact O-CB 3.33Å; L298-F302 WeakPolarHBondContact O-CD2 3.41Å; L298-F302 PolarHBondContact O-N 3.02Å; F302-R304 PolarHBondContact O-N 3.2Å
303	K	95.8	Very high	94.3	Very high	89 Å²	89	44.1 Å²	44.1	39%	0.387	23%	0.233	S	C	.	.			trans	-73	118.8	168.8	-62.1	-72.2	-175.6	177.1	0	109	R299 N300 L301 N308 R309	R299-K303 WeakPolarHBondContact O-CE 3.11Å; N300-K303 VanDerWaalsContact O-CG 3.31Å; N300-K303 WeakPolarHBondContact O-CG 3.29Å; L301-K303 PolarHBondContact O-N 2.98Å; L301-K303 VanDerWaalsContact O-N 3.16Å; K303-N308 HydrophobicContact CB-CB 4.35Å; K303-N308 WeakPolarHBondContact CG-O 3.5Å; K303-R309 HydrophobicContact CB-CB 4.27Å; K303-R309 PolarHBondContact O-NE 3.17Å; K303-R309 PolarHBondContact O-NH2 3.21Å
304	R	93.8	Very high	93.9	Very high	89 Å²	89	46.9 Å²	46.9	34%	0.336	26%	0.258	S	S	.	.	S	Bend	trans	-66.2	-36.8	-178.2	-73.8	-179.4	160.7	80.7	16.2	113.3	P236 W251 I279 L280 A282 F302 P306	P236-R304 HydrophobicContact CG-CB 4.45Å; P236-R304 HydrophobicContact CG-CG 4.15Å; W251-R304 HydrophobicContact CZ3-CG 4.45Å; I279-R304 PolarHBondContact O-NH2 2.65Å; L280-R304 PolarHBondContact O-NE 2.69Å; A282-R304 VanDerWaalsContact O-CZ 3.32Å; A282-R304 PolarHBondContact O-NH1 2.99Å; A282-R304 VanDerWaalsContact O-NH1 3.16Å; A282-R304 PolarHBondContact O-NH2 3.41Å; F302-R304 PolarHBondContact O-N 3.2Å; R304-P306 WeakPolarHBondContact O-CD 3.14Å
305	N	93.1	Very high	93.6	Very high	83 Å²	83	50.9 Å²	50.9	44%	0.444	28%	0.279	S	S	.	.	S	Bend	trans	-75.2	115.3	169.9	-177.6	-1.8	0	0	0	107.8	A307 N308	N305-A307 PolarHBondContact O-N 3.42Å; N305-A307 PolarHBondContact OD1-N 3.3Å; N305-N308 HydrophobicContact CB-CB 4.44Å; N305-N308 PolarHBondContact O-N 3.42Å; N305-N308 VanDerWaalsContact O-N 3.08Å
306	P	92.3	Very high	93.4	Very high	37 Å²	37	49.4 Å²	49.4	24%	0.24	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-58.5	-32.9	-177.7	22	-33	0	0	0	112.9	S247 R304 N308 R309 A312	S247-P306 VanDerWaalsContact OG-CB 3.3Å; S247-P306 WeakPolarHBondContact OG-CB 3.17Å; R304-P306 WeakPolarHBondContact O-CD 3.14Å; P306-N308 PolarHBondContact O-N 3.36Å; P306-R309 VanDerWaalsContact O-CB 3.25Å; P306-R309 WeakPolarHBondContact O-CB 3.36Å; P306-R309 PolarHBondContact O-N 3.14Å; P306-R309 VanDerWaalsContact O-N 3.1Å; P306-A312 WeakPolarHBondContact O-CB 3.37Å
307	A	90.8	Very high	93.3	Very high	75 Å²	75	48.2 Å²	48.2	62%	0.62	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-66.1	-21.4	179.2	0	0	0	0	0	113.9	N305	N305-A307 PolarHBondContact O-N 3.42Å; N305-A307 PolarHBondContact OD1-N 3.3Å
308	N	93.6	Very high	93.2	Very high	109 Å²	109	51.9 Å²	51.9	58%	0.583	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-98.6	1.4	178.2	-64.7	-14.6	0	0	0	112.2	K303 N305 P306	K303-N308 HydrophobicContact CB-CB 4.35Å; K303-N308 WeakPolarHBondContact CG-O 3.5Å; N305-N308 HydrophobicContact CB-CB 4.44Å; N305-N308 PolarHBondContact O-N 3.42Å; N305-N308 VanDerWaalsContact O-N 3.08Å; P306-N308 PolarHBondContact O-N 3.36Å
309	R	96	Very high	93.1	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.008	30%	0.297	C	S	.	.	S	Bend	trans	-82	136	-175.6	-167.1	175.3	-59.3	142.4	4.3	109.6	E237 S247 L301 K303 P306 G311 A312	E237-R309 IonicContact OE1-CZ 3.02Å; E237-R309 IonicContact OE1-NH1 2.84Å; E237-R309 PolarHBondContact OE1-NH1 3.5Å; E237-R309 IonicContact OE1-NH2 2.67Å; E237-R309 PolarHBondContact OE1-NH2 3.4Å; E237-R309 IonicContact OE2-CZ 3.69Å; E237-R309 IonicContact OE2-NH1 3.78Å; E237-R309 IonicContact OE2-NH2 3.16Å; E237-R309 PolarHBondContact OE2-NH2 2.93Å; S247-R309 WeakPolarHBondContact O-CD 3.37Å; S247-R309 PolarHBondContact O-NH1 3.34Å; L301-R309 VanDerWaalsContact O-CD 3.27Å; L301-R309 WeakPolarHBondContact O-CD 3.39Å; L301-R309 VanDerWaalsContact O-CG 3.26Å; L301-R309 WeakPolarHBondContact O-CG 3.4Å; L301-R309 PolarHBondContact O-NE 3.48Å; K303-R309 HydrophobicContact CB-CB 4.27Å; K303-R309 PolarHBondContact O-NE 3.17Å; K303-R309 PolarHBondContact O-NH2 3.21Å; P306-R309 VanDerWaalsContact O-CB 3.25Å; P306-R309 WeakPolarHBondContact O-CB 3.36Å; P306-R309 PolarHBondContact O-N 3.14Å; P306-R309 VanDerWaalsContact O-N 3.1Å; R309-G311 PolarHBondContact O-N 3.39Å; R309-A312 HydrophobicContact CB-CB 4.35Å; R309-A312 VanDerWaalsContact O-CB 3.28Å; R309-A312 WeakPolarHBondContact O-CB 3.31Å; R309-A312 PolarHBondContact O-N 2.89Å; R309-A312 VanDerWaalsContact O-N 3.07Å
310	L	95.4	Very high	93	Very high	27 Å²	27	47.5 Å²	47.5	14%	0.141	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	132.4	175.9	-164	71.8	0	0	0	110.2	L297 N300 L301 A312 E319 I320	L297-L310 HydrophobicContact CD1-CD2 3.52Å; N300-L310 HydrophobicContact CB-CB 3.96Å; N300-L310 HydrophobicContact CB-CD2 4.22Å; N300-L310 PolarHBondContact O-N 3.44Å; N300-L310 VanDerWaalsContact O-N 3.15Å; L301-L310 HydrophobicContact CD2-CB 4.36Å; L310-A312 VanDerWaalsContact C-N 3.35Å; L310-E319 HydrophobicContact CD1-CB 3.78Å; L310-E319 HydrophobicContact CG-CB 4.23Å; L310-I320 HydrophobicContact CD2-CG1 4.03Å; L310-I320 HydrophobicContact CG-CG1 4Å
311	G	91.9	Very high	93.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	-5.3	-177.7	0	0	0	0	0	114.9	W250 R309 G316 E319	W250-G311 VanDerWaalsContact CD1-C 3.48Å; W250-G311 PolarHBondContact NE1-O 3.48Å; R309-G311 PolarHBondContact O-N 3.39Å; G311-G316 WeakPolarHBondContact CA-O 3.38Å; G311-E319 PolarHBondContact N-OE2 3.08Å
312	A	89.3	Confident	93	Very high	27 Å²	27	53.8 Å²	53.8	22%	0.223	29%	0.292	C	S	.	.			trans	-97.2	-8	176.1	0	0	0	0	0	113.5	P306 R309 L310	P306-A312 WeakPolarHBondContact O-CB 3.37Å; R309-A312 HydrophobicContact CB-CB 4.35Å; R309-A312 VanDerWaalsContact O-CB 3.28Å; R309-A312 WeakPolarHBondContact O-CB 3.31Å; R309-A312 PolarHBondContact O-N 2.89Å; R309-A312 VanDerWaalsContact O-N 3.07Å; L310-A312 VanDerWaalsContact C-N 3.35Å
313	G	86.5	Confident	93.1	Very high	22 Å²	22	53.9 Å²	53.9	23%	0.227	29%	0.293	C	S	.	.	S	Bend	trans	-73.5	177.4	176	0	0	0	0	0	113.1	D315 G316 E319	G313-D315 PolarHBondContact O-N 3.07Å; G313-G316 PolarHBondContact O-N 3.49Å; G313-E319 WeakPolarHBondContact CA-OE1 3.39Å
314	P	84.9	Confident	93.1	Very high	136 Å²	136	52.4 Å²	52.4	88%	0.883	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-26.3	-178.3	26.8	-34.9	0	0	0	113.3	G316	P314-G316 PolarHBondContact O-N 3.43Å
315	D	87.3	Confident	93.3	Very high	85 Å²	85	48.3 Å²	48.3	46%	0.455	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-5.4	176.3	-73.8	-0.3	0	0	0	112.6	G313 V317 E318 E319 R322	G313-D315 PolarHBondContact O-N 3.07Å; D315-V317 PolarHBondContact O-N 3.38Å; D315-E318 HydrophobicContact CB-CB 4.44Å; D315-E318 VanDerWaalsContact O-CB 3.27Å; D315-E318 WeakPolarHBondContact O-CB 3.35Å; D315-E318 PolarHBondContact O-N 3.06Å; D315-E319 HydrophobicContact CB-CG 3.81Å; D315-R322 IonicContact OD2-CZ 2.9Å; D315-R322 IonicContact OD2-NH1 3.67Å; D315-R322 IonicContact OD2-NH2 2.68Å; D315-R322 PolarHBondContact OD2-NH2 3.37Å
316	G	89.4	Confident	93.5	Very high	19 Å²	19	44.5 Å²	44.5	20%	0.196	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	-130	174.9	0	0	0	0	0	112.9	G311 G313 P314 E318 E319	G311-G316 WeakPolarHBondContact CA-O 3.38Å; G313-G316 PolarHBondContact O-N 3.49Å; P314-G316 PolarHBondContact O-N 3.43Å; G316-E318 PolarHBondContact O-N 3.1Å; G316-E318 VanDerWaalsContact O-N 3.11Å; G316-E319 PolarHBondContact O-N 2.93Å
317	V	94.4	Very high	93.4	Very high	6 Å²	6	47.3 Å²	47.3	4%	0.036	28%	0.279	C	S	.	.	H	α-helix	trans	-60	-23	-179	77.7	0	0	0	0	113.4	A177 D181 W250 D315 E319 I320 K321	A177-V317 HydrophobicContact CB-CG2 4.11Å; D181-V317 HydrophobicContact CB-CB 3.99Å; D181-V317 HydrophobicContact CB-CG1 3.75Å; D181-V317 HydrophobicContact CB-CG2 4.14Å; D181-V317 WeakPolarHBondContact OD1-CG1 3.43Å; D181-V317 VanDerWaalsContact OD2-CG1 3.29Å; D181-V317 WeakPolarHBondContact OD2-CG1 3.21Å; W250-V317 HydrophobicContact CH2-CB 4.32Å; W250-V317 HydrophobicContact CH2-CG2 3.71Å; W250-V317 HydrophobicContact CZ2-CB 4.13Å; W250-V317 HydrophobicContact CZ2-CG2 4.03Å; D315-V317 PolarHBondContact O-N 3.38Å; V317-E319 PolarHBondContact O-N 2.56Å; V317-I320 HydrophobicContact CG2-CB 4.41Å; V317-I320 CarbonylContact O-C 3.48Å; V317-I320 WeakPolarHBondContact O-CA 3.36Å; V317-I320 VanDerWaalsContact O-CB 3.3Å; V317-I320 WeakPolarHBondContact O-CB 3.49Å; V317-I320 PolarHBondContact O-N 2.78Å; V317-K321 HydrophobicContact CG1-CD 4.34Å; V317-K321 VanDerWaalsContact CG1-CE 3.5Å; V317-K321 HydrophobicContact CG2-CG 4.34Å; V317-K321 PolarHBondContact O-N 3.19Å
318	E	96.1	Very high	93.3	Very high	77 Å²	77	51.6 Å²	51.6	36%	0.36	28%	0.279	S	S	.	.	H	α-helix	trans	-63.7	-27.2	-177.1	-63.7	-60	128.9	0	0	111.4	D315 G316 I320 K321 R322	D315-E318 HydrophobicContact CB-CB 4.44Å; D315-E318 VanDerWaalsContact O-CB 3.27Å; D315-E318 WeakPolarHBondContact O-CB 3.35Å; D315-E318 PolarHBondContact O-N 3.06Å; G316-E318 PolarHBondContact O-N 3.1Å; G316-E318 VanDerWaalsContact O-N 3.11Å; E318-I320 VanDerWaalsContact C-N 3.29Å; E318-I320 PolarHBondContact O-N 3.01Å; E318-K321 PolarHBondContact O-N 3.44Å; E318-K321 WeakPolarHBondContact OE1-CD 3.19Å; E318-K321 WeakPolarHBondContact OE1-CE 3.44Å; E318-K321 IonicContact OE1-NZ 3.64Å; E318-K321 PolarHBondContact OE1-NZ 3.23Å; E318-R322 WeakPolarHBondContact O-CB 3.48Å; E318-R322 VanDerWaalsContact O-CG 3.28Å; E318-R322 WeakPolarHBondContact O-CG 3.37Å; E318-R322 PolarHBondContact O-N 3.17Å; E318-R322 PolarHBondContact O-NE 3.32Å
319	E	95.7	Very high	93.3	Very high	48 Å²	48	47.7 Å²	47.7	22%	0.224	26%	0.257	C	S	.	.	H	α-helix	trans	-61.5	-38.3	169.9	-59.9	-176.4	170.4	0	0	112.3	L310 G311 G313 D315 G316 V317 H323	L310-E319 HydrophobicContact CD1-CB 3.78Å; L310-E319 HydrophobicContact CG-CB 4.23Å; G311-E319 PolarHBondContact N-OE2 3.08Å; G313-E319 WeakPolarHBondContact CA-OE1 3.39Å; D315-E319 HydrophobicContact CB-CG 3.81Å; G316-E319 PolarHBondContact O-N 2.93Å; V317-E319 PolarHBondContact O-N 2.56Å; E319-H323 PolarHBondContact O-N 2.89Å
320	I	96.4	Very high	93.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-72.7	-45.8	177	-61.5	175	0	0	0	109.4	W250 L310 V317 E318 R322 H323 F326	W250-I320 HydrophobicContact CD2-CD1 3.41Å; W250-I320 VanDerWaalsContact CD2-CD1 3.41Å; W250-I320 HydrophobicContact CE3-CD1 3.17Å; W250-I320 HydrophobicContact CG-CD1 4.24Å; W250-I320 HydrophobicContact CH2-CD1 3.51Å; W250-I320 HydrophobicContact CZ2-CD1 3.69Å; W250-I320 HydrophobicContact CZ3-CD1 3.23Å; L310-I320 HydrophobicContact CD2-CG1 4.03Å; L310-I320 HydrophobicContact CG-CG1 4Å; V317-I320 HydrophobicContact CG2-CB 4.41Å; V317-I320 CarbonylContact O-C 3.48Å; V317-I320 WeakPolarHBondContact O-CA 3.36Å; V317-I320 VanDerWaalsContact O-CB 3.3Å; V317-I320 WeakPolarHBondContact O-CB 3.49Å; V317-I320 PolarHBondContact O-N 2.78Å; E318-I320 VanDerWaalsContact C-N 3.29Å; E318-I320 PolarHBondContact O-N 3.01Å; I320-R322 PolarHBondContact O-N 3.29Å; I320-H323 WeakPolarHBondContact O-CB 3.45Å; I320-H323 PolarHBondContact O-N 3.06Å; I320-F326 HydrophobicContact CG2-CD2 4.24Å; I320-F326 HydrophobicContact CG2-CE2 3.66Å; I320-F326 HydrophobicContact CG2-CZ 4.36Å; I320-F326 VanDerWaalsContact O-CD2 3.25Å; I320-F326 WeakPolarHBondContact O-CD2 3.16Å
321	K	97.1	Very high	93.3	Very high	32 Å²	32	51.1 Å²	51.1	14%	0.139	27%	0.273	C	S	.	.	H	α-helix	trans	-59.7	-34.6	-179.8	-63.2	-174.7	-169.6	153.3	0	112.9	D181 V317 E318 W331	D181-K321 IonicContact OD2-NZ 3.52Å; D181-K321 PolarHBondContact OD2-NZ 3.3Å; V317-K321 HydrophobicContact CG1-CD 4.34Å; V317-K321 VanDerWaalsContact CG1-CE 3.5Å; V317-K321 HydrophobicContact CG2-CG 4.34Å; V317-K321 PolarHBondContact O-N 3.19Å; E318-K321 PolarHBondContact O-N 3.44Å; E318-K321 WeakPolarHBondContact OE1-CD 3.19Å; E318-K321 WeakPolarHBondContact OE1-CE 3.44Å; E318-K321 IonicContact OE1-NZ 3.64Å; E318-K321 PolarHBondContact OE1-NZ 3.23Å; K321-W331 VanDerWaalsContact CA-CZ2 3.44Å; K321-W331 HydrophobicContact CB-CD2 4.18Å; K321-W331 HydrophobicContact CB-CH2 4.39Å; K321-W331 HydrophobicContact CB-CZ2 3.78Å; K321-W331 HydrophobicContact CD-CD2 3.9Å; K321-W331 HydrophobicContact CD-CE3 4.03Å; K321-W331 HydrophobicContact CD-CG 4.22Å; K321-W331 HydrophobicContact CD-CZ3 4.45Å; K321-W331 HydrophobicContact CG-CD2 3.77Å; K321-W331 HydrophobicContact CG-CE3 3.91Å; K321-W331 HydrophobicContact CG-CG 4.46Å; K321-W331 HydrophobicContact CG-CH2 3.84Å; K321-W331 HydrophobicContact CG-CZ2 3.71Å; K321-W331 HydrophobicContact CG-CZ3 3.92Å; K321-W331 PolarHBondContact O-NE1 3.41Å
322	R	96.8	Very high	93.5	Very high	148 Å²	148	56.4 Å²	56.4	56%	0.558	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-10.4	177.7	-69.2	-175.3	-59.4	-112.5	9.1	114.5	D315 E318 I320	D315-R322 IonicContact OD2-CZ 2.9Å; D315-R322 IonicContact OD2-NH1 3.67Å; D315-R322 IonicContact OD2-NH2 2.68Å; D315-R322 PolarHBondContact OD2-NH2 3.37Å; E318-R322 WeakPolarHBondContact O-CB 3.48Å; E318-R322 VanDerWaalsContact O-CG 3.28Å; E318-R322 WeakPolarHBondContact O-CG 3.37Å; E318-R322 PolarHBondContact O-N 3.17Å; E318-R322 PolarHBondContact O-NE 3.32Å; I320-R322 PolarHBondContact O-N 3.29Å
323	H	98.1	Very high	93.8	Very high	20 Å²	20	59.8 Å²	59.8	9%	0.093	31%	0.311	C	S	.	.	S	Bend	trans	-64.9	139.8	-178.6	-169.8	-85.1	0	0	0	110.9	E293 S296 L297 E319 I320 F325 F326	E293-H323 PolarHBondContact O-CE1 2.94Å; S296-H323 PolarHBondContact OG-NE2 2.83Å; L297-H323 HydrophobicContact CD1-CB 4.4Å; L297-H323 PolarHBondContact N-CE1 2.77Å; L297-H323 PolarHBondContact N-NE2 2.95Å; E319-H323 PolarHBondContact O-N 2.89Å; I320-H323 WeakPolarHBondContact O-CB 3.45Å; I320-H323 PolarHBondContact O-N 3.06Å; H323-F325 WeakPolarHBondContact ND1-CB 3.29Å; H323-F325 PolarHBondContact ND1-N 3.05Å; H323-F325 PolarHBondContact O-N 3.49Å; H323-F326 HydrophobicContact CB-CD2 4.41Å; H323-F326 PolarHBondContact O-N 3.31Å
324	S	96.7	Very high	94.2	Very high	58 Å²	58	58.7 Å²	58.7	41%	0.406	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-55.7	-30.1	-173.7	57.5	0	0	0	0	114.3	F326 S327	S324-F326 PolarHBondContact O-N 2.88Å; S324-S327 WeakPolarHBondContact O-CB 3.43Å; S324-S327 PolarHBondContact O-N 3.21Å; S324-S327 VanDerWaalsContact O-N 3.08Å; S324-S327 PolarHBondContact O-OG 2.83Å
325	F	97.1	Very high	94.8	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.018	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-53.3	-35.6	173	-173.1	-104.7	0	0	0	112.7	E166 V169 K170 L173 M257 E293 A294 L297 H323	E166-F325 HydrophobicContact CB-CE2 4.25Å; V169-F325 HydrophobicContact CG1-CE1 4.44Å; V169-F325 HydrophobicContact CG1-CZ 4.12Å; K170-F325 HydrophobicContact CB-CD1 4.37Å; K170-F325 HydrophobicContact CB-CE1 3.66Å; K170-F325 HydrophobicContact CB-CZ 3.88Å; K170-F325 WeakPolarHBondContact CD-O 3.42Å; K170-F325 WeakPolarHBondContact CE-O 3.34Å; K170-F325 HydrophobicContact CG-CD1 4.23Å; K170-F325 HydrophobicContact CG-CE1 4.02Å; L173-F325 HydrophobicContact CD1-CE1 4.46Å; M257-F325 HydrophobicContact CE-CD1 4.5Å; M257-F325 HydrophobicContact CE-CD2 4.39Å; M257-F325 HydrophobicContact CE-CE1 4.15Å; M257-F325 HydrophobicContact CE-CE2 4.06Å; M257-F325 HydrophobicContact CE-CZ 3.94Å; E293-F325 HydrophobicContact CB-CB 4.35Å; E293-F325 HydrophobicContact CB-CD2 4.32Å; A294-F325 HydrophobicContact CB-CD2 4.06Å; A294-F325 HydrophobicContact CB-CE2 3.84Å; L297-F325 HydrophobicContact CB-CB 4.42Å; L297-F325 HydrophobicContact CD2-CB 3.91Å; L297-F325 HydrophobicContact CD2-CD1 3.48Å; L297-F325 VanDerWaalsContact CD2-CD1 3.48Å; L297-F325 HydrophobicContact CD2-CE1 4.19Å; L297-F325 HydrophobicContact CD2-CG 3.81Å; H323-F325 WeakPolarHBondContact ND1-CB 3.29Å; H323-F325 PolarHBondContact ND1-N 3.05Å; H323-F325 PolarHBondContact O-N 3.49Å
326	F	97.4	Very high	95.1	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.009	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-97.9	11.1	179.9	-59.4	-75.6	0	0	0	114.1	K170 L173 A174 Y253 L297 I320 H323 S324 R328 I329 W331	K170-F326 HydrophobicContact CG-CD1 3.73Å; K170-F326 HydrophobicContact CG-CE1 4.15Å; L173-F326 HydrophobicContact CB-CE1 4.01Å; L173-F326 HydrophobicContact CB-CZ 4.05Å; A174-F326 HydrophobicContact CB-CD1 4.06Å; A174-F326 HydrophobicContact CB-CE1 4.12Å; Y253-F326 VanDerWaalsContact OH-CZ 3.29Å; Y253-F326 WeakPolarHBondContact OH-CZ 3.41Å; L297-F326 HydrophobicContact CD2-CD2 4.48Å; L297-F326 HydrophobicContact CD2-CE2 3.56Å; L297-F326 HydrophobicContact CD2-CZ 3.92Å; I320-F326 HydrophobicContact CG2-CD2 4.24Å; I320-F326 HydrophobicContact CG2-CE2 3.66Å; I320-F326 HydrophobicContact CG2-CZ 4.36Å; I320-F326 VanDerWaalsContact O-CD2 3.25Å; I320-F326 WeakPolarHBondContact O-CD2 3.16Å; H323-F326 HydrophobicContact CB-CD2 4.41Å; H323-F326 PolarHBondContact O-N 3.31Å; S324-F326 PolarHBondContact O-N 2.88Å; F326-R328 PolarHBondContact O-N 3.36Å; F326-I329 HydrophobicContact CB-CG1 4.5Å; F326-I329 HydrophobicContact CD1-CG1 4.37Å; F326-I329 WeakPolarHBondContact O-CB 3.46Å; F326-I329 PolarHBondContact O-N 3.09Å; F326-W331 HydrophobicContact CB-CH2 4.48Å; F326-W331 HydrophobicContact CB-CZ2 3.6Å; F326-W331 HydrophobicContact CD1-CH2 4.11Å; F326-W331 HydrophobicContact CD1-CZ2 4.04Å; F326-W331 HydrophobicContact CD2-CZ2 4.31Å; F326-W331 HydrophobicContact CG-CH2 4.15Å; F326-W331 AromaticContact CG-CZ2 3.73Å; F326-W331 HydrophobicContact CG-CZ2 3.73Å
327	S	91.6	Very high	95.4	Very high	96 Å²	96	63 Å²	63	67%	0.671	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-22.8	-174.1	53.9	0	0	0	0	115.8	S324	S324-S327 WeakPolarHBondContact O-CB 3.43Å; S324-S327 PolarHBondContact O-N 3.21Å; S324-S327 VanDerWaalsContact O-N 3.08Å; S324-S327 PolarHBondContact O-OG 2.83Å
328	R	88.3	Confident	95.2	Very high	166 Å²	166	67.9 Å²	67.9	63%	0.626	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-3.8	179.4	-61.4	-174.4	-177.3	177.6	-0.9	114.1	F326	F326-R328 PolarHBondContact O-N 3.36Å
329	I	92.1	Very high	94.6	Very high	26 Å²	26	66.4 Å²	66.4	13%	0.133	31%	0.306	C	S	.	.			trans	-86.8	122.6	-178.5	-62.9	-62.1	0	0	0	109.8	K170 A174 F326 W331 L334	K170-I329 HydrophobicContact CD-CD1 4.24Å; K170-I329 HydrophobicContact CD-CG1 4.05Å; K170-I329 HydrophobicContact CG-CD1 4.2Å; K170-I329 HydrophobicContact CG-CG1 3.92Å; A174-I329 HydrophobicContact CB-CG1 4.28Å; A174-I329 HydrophobicContact CB-CG2 4.06Å; F326-I329 HydrophobicContact CB-CG1 4.5Å; F326-I329 HydrophobicContact CD1-CG1 4.37Å; F326-I329 WeakPolarHBondContact O-CB 3.46Å; F326-I329 PolarHBondContact O-N 3.09Å; I329-W331 HydrophobicContact CG2-CD2 4.03Å; I329-W331 HydrophobicContact CG2-CE3 4.46Å; I329-W331 HydrophobicContact CG2-CG 4.25Å; I329-W331 HydrophobicContact CG2-CZ2 4.48Å; I329-W331 PolarHBondContact O-N 3.06Å; I329-L334 HydrophobicContact CG2-CB 4.45Å; I329-L334 HydrophobicContact CG2-CD2 3.93Å
330	D	94.9	Very high	93.9	Very high	63 Å²	63	69.1 Å²	69.1	34%	0.337	33%	0.33	S	S	.	.			trans	-85.5	98.2	163.4	-175.4	-31.3	0	0	0	108.6	N332 K333 L334 I339	D330-N332 PolarHBondContact O-N 2.8Å; D330-N332 PolarHBondContact OD1-N 3.38Å; D330-N332 VanDerWaalsContact OD1-N 3.17Å; D330-K333 HydrophobicContact CB-CB 4.04Å; D330-K333 HydrophobicContact CB-CD 4.09Å; D330-K333 HydrophobicContact CB-CG 4.15Å; D330-K333 VanDerWaalsContact CG-CG 3.47Å; D330-K333 PolarHBondContact O-N 3.22Å; D330-K333 PolarHBondContact OD1-N 3.5Å; D330-K333 VanDerWaalsContact OD2-CD 3.26Å; D330-K333 WeakPolarHBondContact OD2-CD 3.3Å; D330-K333 VanDerWaalsContact OD2-CE 3.27Å; D330-K333 WeakPolarHBondContact OD2-CE 3.43Å; D330-K333 WeakPolarHBondContact OD2-CG 3.27Å; D330-K333 IonicContact OD2-NZ 2.69Å; D330-L334 WeakPolarHBondContact O-CB 3.49Å; D330-L334 PolarHBondContact O-N 3.38Å; D330-I339 HydrophobicContact CB-CD1 4.48Å
331	W	97.1	Very high	93.3	Very high	38 Å²	38	70.2 Å²	70.2	14%	0.144	34%	0.337	C	S	.	.	H	α-helix	trans	-59.3	-31.9	-175.5	-65.3	93	0	0	0	113.7	A174 A177 L178 K321 F326 I329 F335	A174-W331 HydrophobicContact CB-CE3 4.43Å; A174-W331 HydrophobicContact CB-CH2 3.7Å; A174-W331 HydrophobicContact CB-CZ2 4.42Å; A174-W331 HydrophobicContact CB-CZ3 3.71Å; A174-W331 WeakPolarHBondContact O-CZ3 3.29Å; A177-W331 HydrophobicContact CB-CH2 4.33Å; A177-W331 HydrophobicContact CB-CZ3 4.18Å; L178-W331 HydrophobicContact CD1-CE3 4.21Å; L178-W331 HydrophobicContact CD2-CE3 3.99Å; L178-W331 HydrophobicContact CG-CE3 3.94Å; L178-W331 HydrophobicContact CG-CZ3 4.18Å; K321-W331 VanDerWaalsContact CA-CZ2 3.44Å; K321-W331 HydrophobicContact CB-CD2 4.18Å; K321-W331 HydrophobicContact CB-CH2 4.39Å; K321-W331 HydrophobicContact CB-CZ2 3.78Å; K321-W331 HydrophobicContact CD-CD2 3.9Å; K321-W331 HydrophobicContact CD-CE3 4.03Å; K321-W331 HydrophobicContact CD-CG 4.22Å; K321-W331 HydrophobicContact CD-CZ3 4.45Å; K321-W331 HydrophobicContact CG-CD2 3.77Å; K321-W331 HydrophobicContact CG-CE3 3.91Å; K321-W331 HydrophobicContact CG-CG 4.46Å; K321-W331 HydrophobicContact CG-CH2 3.84Å; K321-W331 HydrophobicContact CG-CZ2 3.71Å; K321-W331 HydrophobicContact CG-CZ3 3.92Å; K321-W331 PolarHBondContact O-NE1 3.41Å; F326-W331 HydrophobicContact CB-CH2 4.48Å; F326-W331 HydrophobicContact CB-CZ2 3.6Å; F326-W331 HydrophobicContact CD1-CH2 4.11Å; F326-W331 HydrophobicContact CD1-CZ2 4.04Å; F326-W331 HydrophobicContact CD2-CZ2 4.31Å; F326-W331 HydrophobicContact CG-CH2 4.15Å; F326-W331 AromaticContact CG-CZ2 3.73Å; F326-W331 HydrophobicContact CG-CZ2 3.73Å; I329-W331 HydrophobicContact CG2-CD2 4.03Å; I329-W331 HydrophobicContact CG2-CE3 4.46Å; I329-W331 HydrophobicContact CG2-CG 4.25Å; I329-W331 HydrophobicContact CG2-CZ2 4.48Å; I329-W331 PolarHBondContact O-N 3.06Å; W331-F335 WeakPolarHBondContact O-CB 3.45Å; W331-F335 PolarHBondContact O-N 3.24Å
332	N	96.4	Very high	92.4	Very high	112 Å²	112	69.6 Å²	69.6	60%	0.599	34%	0.337	S	S	*	.	H	α-helix	trans	-74.4	-43.8	179.7	-71.5	-42.5	0	0	0	111.2	D330 L334 F335 R336	D330-N332 PolarHBondContact O-N 2.8Å; D330-N332 PolarHBondContact OD1-N 3.38Å; D330-N332 VanDerWaalsContact OD1-N 3.17Å; N332-L334 VanDerWaalsContact C-N 3.3Å; N332-F335 PolarHBondContact O-N 3.25Å; N332-R336 WeakPolarHBondContact O-CG 3.46Å; N332-R336 PolarHBondContact O-N 3.02Å; N332-R336 VanDerWaalsContact O-N 3.12Å
333	K	96.1	Very high	91.5	Very high	97 Å²	97	63.2 Å²	63.2	42%	0.422	31%	0.313	S	S	.	.	H	α-helix	trans	-64	-38.7	172.9	-68.9	-174.2	-177.3	176.6	0	111.5	D330 R336 R337 E338 I339	D330-K333 HydrophobicContact CB-CB 4.04Å; D330-K333 HydrophobicContact CB-CD 4.09Å; D330-K333 HydrophobicContact CB-CG 4.15Å; D330-K333 VanDerWaalsContact CG-CG 3.47Å; D330-K333 PolarHBondContact O-N 3.22Å; D330-K333 PolarHBondContact OD1-N 3.5Å; D330-K333 VanDerWaalsContact OD2-CD 3.26Å; D330-K333 WeakPolarHBondContact OD2-CD 3.3Å; D330-K333 VanDerWaalsContact OD2-CE 3.27Å; D330-K333 WeakPolarHBondContact OD2-CE 3.43Å; D330-K333 WeakPolarHBondContact OD2-CG 3.27Å; D330-K333 IonicContact OD2-NZ 2.69Å; K333-R336 CarbonylContact O-C 3.6Å; K333-R336 PolarHBondContact O-N 3.33Å; K333-R337 PolarHBondContact O-N 2.85Å; K333-R337 VanDerWaalsContact O-N 3.14Å; K333-E338 HydrophobicContact CB-CB 4.12Å; K333-E338 WeakPolarHBondContact CG-OE2 3.42Å; K333-E338 PolarHBondContact O-N 3.3Å; K333-I339 HydrophobicContact CB-CD1 4.13Å; K333-I339 HydrophobicContact CB-CG1 3.84Å
334	L	95.4	Very high	90.6	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-60.5	-51.8	175.9	-170.3	67.5	0	0	0	110.6	F128 F171 A174 E175 L178 I329 D330 N332 R336 R337 I339	F128-L334 HydrophobicContact CZ-CG 4.37Å; F128-L334 VanDerWaalsContact CZ-O 3.3Å; F128-L334 WeakPolarHBondContact CZ-O 3.41Å; F171-L334 HydrophobicContact CD2-CD1 4.07Å; F171-L334 HydrophobicContact CE2-CD1 3.61Å; F171-L334 HydrophobicContact CZ-CD1 4.04Å; A174-L334 HydrophobicContact CB-CD2 3.36Å; E175-L334 HydrophobicContact CG-CD1 3.82Å; E175-L334 HydrophobicContact CG-CD2 4.07Å; E175-L334 HydrophobicContact CG-CG 4.04Å; L178-L334 HydrophobicContact CD1-CB 4.46Å; L178-L334 HydrophobicContact CD1-CD2 4.02Å; L178-L334 HydrophobicContact CD1-CG 4.27Å; I329-L334 HydrophobicContact CG2-CB 4.45Å; I329-L334 HydrophobicContact CG2-CD2 3.93Å; D330-L334 WeakPolarHBondContact O-CB 3.49Å; D330-L334 PolarHBondContact O-N 3.38Å; N332-L334 VanDerWaalsContact C-N 3.3Å; L334-R336 VanDerWaalsContact C-N 3.26Å; L334-R336 PolarHBondContact O-N 2.67Å; L334-R337 WeakPolarHBondContact O-CA 3.15Å; L334-R337 PolarHBondContact O-N 2.79Å; L334-I339 HydrophobicContact CB-CD1 3.97Å; L334-I339 HydrophobicContact CD1-CB 4.3Å; L334-I339 HydrophobicContact CD1-CD1 4.22Å
335	F	96.2	Very high	89.6	Confident	98 Å²	98	66 Å²	66	43%	0.43	32%	0.318	S	S	.	.	H	α-helix	trans	-56.2	-38.8	177.6	-177.1	-94.2	0	0	0	112.8	H126 P127 L178 W331 N332 R337	H126-F335 AromaticContact CD2-CE2 3.68Å; H126-F335 AromaticContact NE2-CD2 3.81Å; H126-F335 AromaticContact NE2-CE2 3.41Å; H126-F335 WeakPolarHBondContact NE2-CE2 3.48Å; P127-F335 HydrophobicContact CG-CD2 4.09Å; P127-F335 HydrophobicContact CG-CE2 3.97Å; P127-F335 HydrophobicContact CG-CZ 4.33Å; L178-F335 HydrophobicContact CD1-CB 4.13Å; L178-F335 HydrophobicContact CD1-CD2 4.46Å; W331-F335 WeakPolarHBondContact O-CB 3.45Å; W331-F335 PolarHBondContact O-N 3.24Å; N332-F335 PolarHBondContact O-N 3.25Å; F335-R337 PolarHBondContact O-N 2.93Å
336	R	94.9	Very high	88.2	Confident	131 Å²	131	66.2 Å²	66.2	49%	0.494	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	3.4	175.1	-66	-167.3	-55.7	-85.5	-9	114.5	N332 K333 L334 E338	N332-R336 WeakPolarHBondContact O-CG 3.46Å; N332-R336 PolarHBondContact O-N 3.02Å; N332-R336 VanDerWaalsContact O-N 3.12Å; K333-R336 CarbonylContact O-C 3.6Å; K333-R336 PolarHBondContact O-N 3.33Å; L334-R336 VanDerWaalsContact C-N 3.26Å; L334-R336 PolarHBondContact O-N 2.67Å; R336-E338 HydrophobicContact CB-CG 3.99Å; R336-E338 IonicContact CZ-OE1 3.29Å; R336-E338 IonicContact CZ-OE2 2.56Å; R336-E338 IonicContact NE-OE1 3.42Å; R336-E338 PolarHBondContact NE-OE1 3.32Å; R336-E338 IonicContact NE-OE2 3.55Å; R336-E338 IonicContact NH2-OE1 2.68Å; R336-E338 IonicContact NH2-OE2 2.73Å; R336-E338 PolarHBondContact NH2-OE2 3.32Å; R336-E338 PolarHBondContact O-N 3.16Å
337	R	94.6	Very high	86.5	Confident	100 Å²	100	69.2 Å²	69.2	38%	0.377	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	33.3	-178.5	-59.4	169.1	65.9	-154	1.8	113.2	P127 F128 D201 K333 L334 F335	P127-R337 HydrophobicContact CB-CG 4.43Å; F128-R337 HydrophobicContact CE1-CG 4Å; F128-R337 HydrophobicContact CZ-CG 4.2Å; D201-R337 IonicContact OD2-CZ 2.74Å; D201-R337 IonicContact OD2-NE 2.83Å; D201-R337 IonicContact OD2-NH2 2.99Å; D201-R337 PolarHBondContact OD2-NH2 2.84Å; K333-R337 PolarHBondContact O-N 2.85Å; K333-R337 VanDerWaalsContact O-N 3.14Å; L334-R337 WeakPolarHBondContact O-CA 3.15Å; L334-R337 PolarHBondContact O-N 2.79Å; F335-R337 PolarHBondContact O-N 2.93Å
338	E	90.2	Very high	85	Confident	110 Å²	110	66.2 Å²	66.2	51%	0.514	33%	0.33	S	S	.	.			trans	-88.5	-9.2	177.9	-67.8	171.1	-173.8	0	0	112.7	K333 R336	K333-E338 HydrophobicContact CB-CB 4.12Å; K333-E338 WeakPolarHBondContact CG-OE2 3.42Å; K333-E338 PolarHBondContact O-N 3.3Å; R336-E338 HydrophobicContact CB-CG 3.99Å; R336-E338 IonicContact CZ-OE1 3.29Å; R336-E338 IonicContact CZ-OE2 2.56Å; R336-E338 IonicContact NE-OE1 3.42Å; R336-E338 PolarHBondContact NE-OE1 3.32Å; R336-E338 IonicContact NE-OE2 3.55Å; R336-E338 IonicContact NH2-OE1 2.68Å; R336-E338 IonicContact NH2-OE2 2.73Å; R336-E338 PolarHBondContact NH2-OE2 3.32Å; R336-E338 PolarHBondContact O-N 3.16Å
339	I	83.9	Confident	84	Confident	45 Å²	45	63.7 Å²	63.7	23%	0.231	32%	0.32	C	S	.	.	S	Bend	trans	-96	121.8	175	-54.1	-176.7	0	0	0	108.4	F171 H205 D330 K333 L334	F171-I339 HydrophobicContact CD2-CG2 4.12Å; F171-I339 HydrophobicContact CE2-CB 4.1Å; F171-I339 HydrophobicContact CE2-CG2 3.74Å; H205-I339 PolarHBondContact CE1-O 3.27Å; D330-I339 HydrophobicContact CB-CD1 4.48Å; K333-I339 HydrophobicContact CB-CD1 4.13Å; K333-I339 HydrophobicContact CB-CG1 3.84Å; L334-I339 HydrophobicContact CB-CD1 3.97Å; L334-I339 HydrophobicContact CD1-CB 4.3Å; L334-I339 HydrophobicContact CD1-CD1 4.22Å
340	S	81.5	Confident	82.7	Confident	105 Å²	105	65.9 Å²	65.9	73%	0.734	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-61.8	129	178.8	-60.6	0	0	0	0	111.7
341	P	83.8	Confident	81.4	Confident	23 Å²	23	64.9 Å²	64.9	15%	0.149	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-60.6	149	173	-25.8	35.9	0	0	0	112.6	F171 A203 G204 H205 F343	F171-P341 HydrophobicContact CE1-CB 3.9Å; F171-P341 HydrophobicContact CE1-CG 4.22Å; F171-P341 HydrophobicContact CZ-CB 3.97Å; F171-P341 HydrophobicContact CZ-CG 3.93Å; A203-P341 WeakPolarHBondContact O-CG 3.32Å; G204-P341 WeakPolarHBondContact O-CB 3.23Å; H205-P341 WeakPolarHBondContact NE2-CG 3.45Å; P341-F343 PolarHBondContact O-N 2.99Å; P341-F343 VanDerWaalsContact O-N 3.15Å
342	P	77.4	Confident	80.3	Confident	19 Å²	19	64.7 Å²	64.7	12%	0.123	33%	0.333	C	S	.	.	S	Bend	trans	-68.9	-14.7	-178.6	26.3	-32.2	0	0	0	112.7	D168 F171 Y172 T571	D168-P342 HydrophobicContact CB-CB 4.3Å; D168-P342 HydrophobicContact CB-CG 4.08Å; D168-P342 WeakPolarHBondContact OD1-CB 3.3Å; F171-P342 HydrophobicContact CB-CG 4.32Å; F171-P342 HydrophobicContact CD1-CG 4.12Å; F171-P342 HydrophobicContact CG-CG 4.3Å; Y172-P342 HydrophobicContact CE1-CG 4.35Å; Y172-P342 HydrophobicContact CE2-CG 3.9Å; Y172-P342 WeakPolarHBondContact OH-CG 3.46Å; P342-T571 PolarHBondContact O-OG1 2.77Å
343	F	78.3	Confident	79.1	Confident	14 Å²	14	60 Å²	60	6%	0.061	31%	0.309	C	S	.	.			trans	-142.5	133.2	173.4	160.5	-89.6	0	0	0	110.2	L200 G204 P341 P345 Y355 R463 L569	L200-F343 HydrophobicContact CD1-CD1 4.42Å; L200-F343 HydrophobicContact CD1-CE1 4.35Å; G204-F343 VanDerWaalsContact CA-O 3.31Å; G204-F343 WeakPolarHBondContact CA-O 3.36Å; P341-F343 PolarHBondContact O-N 2.99Å; P341-F343 VanDerWaalsContact O-N 3.15Å; F343-P345 HydrophobicContact CD1-CG 4.24Å; F343-P345 HydrophobicContact CE1-CB 4.13Å; F343-P345 HydrophobicContact CE1-CG 3.73Å; F343-Y355 HydrophobicContact CZ-CE1 4.12Å; F343-R463 VanDerWaalsContact CE2-NH2 3.34Å; F343-L569 HydrophobicContact CD2-CD1 3.73Å; F343-L569 HydrophobicContact CE2-CD1 4.32Å
344	K	78.4	Confident	78	Confident	132 Å²	132	59.1 Å²	59.1	57%	0.574	31%	0.305	S	S	*	.			trans	-106.7	118.2	172.7	-172.4	173.3	-177	176.2	0	108.9	R463	K344-R463 PolarHBondContact O-NH2 2.94Å
345	P	76.5	Confident	77	Confident	5 Å²	5	60 Å²	60	3%	0.032	31%	0.309	C	S	.	.			trans	-52.2	143.8	174.7	-24.8	32.9	0	0	0	111.5	D201 F343 A347 Y355	D201-P345 WeakPolarHBondContact O-CG 3.43Å; F343-P345 HydrophobicContact CD1-CG 4.24Å; F343-P345 HydrophobicContact CE1-CB 4.13Å; F343-P345 HydrophobicContact CE1-CG 3.73Å; P345-A347 PolarHBondContact O-N 2.84Å; P345-Y355 HydrophobicContact CB-CD2 4.22Å; P345-Y355 HydrophobicContact CB-CE2 3.62Å
346	A	67.3	Low	76.1	Confident	8 Å²	8	56.9 Å²	56.9	7%	0.066	30%	0.295	C	S	.	.			trans	-60.5	128	176	0	0	0	0	0	109.8	Y355 E459 L462	A346-Y355 WeakPolarHBondContact CB-OH 3.26Å; A346-Y355 PolarHBondContact N-OH 3.31Å; A346-E459 HydrophobicContact CB-CG 4.35Å; A346-L462 HydrophobicContact CB-CB 4.02Å; A346-L462 HydrophobicContact CB-CD1 3.87Å
347	A	60.8	Low	75.1	Confident	66 Å²	66	52.1 Å²	52.1	55%	0.545	28%	0.279	S	S	.	.			trans	-96.4	110.1	-178.3	0	0	0	0	0	109.8	P345	P345-A347 PolarHBondContact O-N 2.84Å
348	G	61.4	Low	73.9	Confident	33 Å²	33	51.2 Å²	51.2	34%	0.34	29%	0.286	S	S	.	.			trans	-106.3	-138.2	167.3	0	0	0	0	0	111.5	D352	G348-D352 WeakPolarHBondContact CA-OD2 3.32Å
349	R	67.4	Low	73.1	Confident	112 Å²	112	50 Å²	50	42%	0.423	28%	0.28	S	S	.	.	S	Bend	trans	-63.7	151.7	170.7	-62.3	-179.8	173.5	-165.9	-2.7	110.7	D351 D352 D475	R349-D351 PolarHBondContact O-N 3.39Å; R349-D351 VanDerWaalsContact O-N 3.09Å; R349-D352 PolarHBondContact N-OD2 2.96Å; R349-D352 WeakPolarHBondContact O-CB 3.47Å; R349-D352 PolarHBondContact O-N 3.45Å; R349-D475 IonicContact CZ-OD1 2.69Å; R349-D475 VanDerWaalsContact CZ-OD1 3.3Å; R349-D475 IonicContact NE-OD1 3.05Å; R349-D475 PolarHBondContact NE-OD1 3.42Å; R349-D475 VanDerWaalsContact NH2-CG 3.34Å; R349-D475 IonicContact NH2-OD1 3.04Å; R349-D475 PolarHBondContact NH2-OD1 2.93Å; R349-D475 IonicContact NH2-OD2 3.18Å; R349-D475 PolarHBondContact NH2-OD2 3.42Å
350	P	64.3	Low	72.8	Confident	73 Å²	73	49.5 Å²	49.5	47%	0.474	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.2	-178.3	-26.7	35	0	0	0	115.2	L95	L95-P350 HydrophobicContact CD1-CB 4.03Å; L95-P350 WeakPolarHBondContact CD1-O 3.28Å
351	D	67.1	Low	72.7	Confident	41 Å²	41	46 Å²	46	22%	0.219	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	13	179.7	62.6	-34	0	0	0	113.8	K71 L83 L95 R349	K71-D351 PolarHBondContact NZ-O 3.31Å; L83-D351 HydrophobicContact CD2-CB 4.03Å; L95-D351 HydrophobicContact CD1-CB 4.12Å; R349-D351 PolarHBondContact O-N 3.39Å; R349-D351 VanDerWaalsContact O-N 3.09Å
352	D	73.6	Confident	72.2	Confident	34 Å²	34	49.1 Å²	49.1	18%	0.182	28%	0.279	C	S	.	.			trans	-67.9	143.8	172.8	-77	-19.4	0	0	0	111.3	G348 R349 F354	G348-D352 WeakPolarHBondContact CA-OD2 3.32Å; R349-D352 PolarHBondContact N-OD2 2.96Å; R349-D352 WeakPolarHBondContact O-CB 3.47Å; R349-D352 PolarHBondContact O-N 3.45Å; D352-F354 HydrophobicContact CB-CD2 3.73Å; D352-F354 HydrophobicContact CB-CE2 3.48Å; D352-F354 VanDerWaalsContact CB-CE2 3.48Å; D352-F354 HydrophobicContact CB-CZ 4.18Å; D352-F354 WeakPolarHBondContact OD2-CE2 3.36Å; D352-F354 WeakPolarHBondContact OD2-CZ 3.33Å
353	T	72.8	Confident	72.2	Confident	15 Å²	15	51.8 Å²	51.8	9%	0.092	29%	0.288	C	S	.	.			trans	-129.3	35.6	-172	52.6	0	0	0	0	110.8	K71 L73 L83 F148 Y355 F356 T361	K71-T353 HydrophobicContact CD-CG2 3.58Å; K71-T353 WeakPolarHBondContact CD-OG1 3.41Å; K71-T353 PolarHBondContact NZ-OG1 3.31Å; K71-T353 VanDerWaalsContact NZ-OG1 3.08Å; L73-T353 HydrophobicContact CD2-CG2 3.63Å; L83-T353 HydrophobicContact CD2-CG2 4.2Å; F148-T353 HydrophobicContact CZ-CG2 4.42Å; T353-Y355 PolarHBondContact O-N 3.41Å; T353-Y355 VanDerWaalsContact O-N 3.14Å; T353-F356 HydrophobicContact CG2-CD2 4.01Å; T353-F356 HydrophobicContact CG2-CE2 4.43Å; T353-F356 PolarHBondContact O-N 3.29Å; T353-T361 HydrophobicContact CG2-CG2 4.36Å; T353-T361 WeakPolarHBondContact OG1-CG2 3.35Å
354	F	71.9	Confident	72.1	Confident	77 Å²	77	55.8 Å²	55.8	34%	0.338	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-32.4	-175.5	-66.4	-63.7	0	0	0	113.7	D352 L462 V476	D352-F354 HydrophobicContact CB-CD2 3.73Å; D352-F354 HydrophobicContact CB-CE2 3.48Å; D352-F354 VanDerWaalsContact CB-CE2 3.48Å; D352-F354 HydrophobicContact CB-CZ 4.18Å; D352-F354 WeakPolarHBondContact OD2-CE2 3.36Å; D352-F354 WeakPolarHBondContact OD2-CZ 3.33Å; F354-L462 HydrophobicContact CE2-CD1 3.93Å; F354-L462 HydrophobicContact CZ-CD1 4.23Å; F354-V476 HydrophobicContact CE1-CG1 4.41Å; F354-V476 HydrophobicContact CZ-CB 4.49Å
355	Y	74.3	Confident	72.1	Confident	20 Å²	20	51.1 Å²	51.1	8%	0.078	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	7	-177.7	-58.6	-71.9	0	0	0	113.6	R150 G151 F343 P345 A346 T353	R150-Y355 WeakPolarHBondContact O-CD2 3.46Å; G151-Y355 WeakPolarHBondContact O-CB 3.31Å; F343-Y355 HydrophobicContact CZ-CE1 4.12Å; P345-Y355 HydrophobicContact CB-CD2 4.22Å; P345-Y355 HydrophobicContact CB-CE2 3.62Å; A346-Y355 WeakPolarHBondContact CB-OH 3.26Å; A346-Y355 PolarHBondContact N-OH 3.31Å; T353-Y355 PolarHBondContact O-N 3.41Å; T353-Y355 VanDerWaalsContact O-N 3.14Å
356	F	77.4	Confident	72	Confident	31 Å²	31	59.8 Å²	59.8	14%	0.136	33%	0.329	C	S	.	.	S	Bend	trans	-103.1	154.5	174.8	-65.7	-93.6	0	0	0	110.9	L73 F148 L149 T353 P358 T361	L73-F356 HydrophobicContact CB-CD1 3.89Å; L73-F356 HydrophobicContact CB-CE1 3.93Å; L73-F356 HydrophobicContact CD1-CE1 4.1Å; L73-F356 HydrophobicContact CD1-CZ 4.26Å; L73-F356 HydrophobicContact CD2-CD1 3.81Å; L73-F356 HydrophobicContact CD2-CD2 4.1Å; L73-F356 HydrophobicContact CD2-CE1 3.88Å; L73-F356 HydrophobicContact CD2-CE2 4.16Å; L73-F356 HydrophobicContact CD2-CG 3.92Å; L73-F356 HydrophobicContact CD2-CZ 4.05Å; L73-F356 HydrophobicContact CG-CD1 4.33Å; L73-F356 HydrophobicContact CG-CE1 4.18Å; F148-F356 HydrophobicContact CD2-CZ 4.39Å; F148-F356 AromaticContact CE2-CE2 3.71Å; F148-F356 HydrophobicContact CE2-CE2 3.71Å; F148-F356 AromaticContact CE2-CZ 3.64Å; F148-F356 HydrophobicContact CE2-CZ 3.64Å; F148-F356 HydrophobicContact CZ-CE2 4.09Å; F148-F356 HydrophobicContact CZ-CZ 4.45Å; L149-F356 WeakPolarHBondContact O-CZ 3.44Å; T353-F356 HydrophobicContact CG2-CD2 4.01Å; T353-F356 HydrophobicContact CG2-CE2 4.43Å; T353-F356 PolarHBondContact O-N 3.29Å; F356-P358 WeakPolarHBondContact O-CD 3.37Å; F356-T361 HydrophobicContact CB-CG2 3.59Å
357	D	74.6	Confident	72.1	Confident	32 Å²	32	62 Å²	62	17%	0.171	34%	0.34	C	S	.	.			trans	-60.1	125	-179.3	-154.2	-44.1	0	0	0	111.6	E359 F360 T361 R724	D357-E359 PolarHBondContact O-N 3.34Å; D357-E359 VanDerWaalsContact OD1-CB 3.25Å; D357-E359 WeakPolarHBondContact OD1-CB 3.43Å; D357-E359 PolarHBondContact OD1-N 2.96Å; D357-F360 HydrophobicContact CB-CD2 3.4Å; D357-F360 VanDerWaalsContact CB-CD2 3.4Å; D357-F360 HydrophobicContact CB-CE2 3.78Å; D357-F360 HydrophobicContact CB-CG 4.33Å; D357-F360 PolarHBondContact O-N 3.24Å; D357-T361 PolarHBondContact O-N 3.1Å; D357-T361 PolarHBondContact O-OG1 3.26Å; D357-R724 VanDerWaalsContact CB-NH2 3.31Å; D357-R724 VanDerWaalsContact CG-NH2 3.32Å; D357-R724 IonicContact OD2-CZ 2.64Å; D357-R724 IonicContact OD2-NE 3.1Å; D357-R724 PolarHBondContact OD2-NE 2.66Å; D357-R724 IonicContact OD2-NH2 3.02Å; D357-R724 PolarHBondContact OD2-NH2 3.16Å
358	P	68.1	Low	72.5	Confident	81 Å²	81	61.1 Å²	61.1	53%	0.526	33%	0.33	S	S	.	.	H	α-helix	trans	-55.5	-30.4	171	-26.6	36.4	0	0	0	113.2	F356 F360 T361 A362	F356-P358 WeakPolarHBondContact O-CD 3.37Å; P358-F360 PolarHBondContact O-N 3.45Å; P358-T361 WeakPolarHBondContact CA-OG1 3.34Å; P358-T361 PolarHBondContact O-N 3.38Å; P358-A362 WeakPolarHBondContact O-CB 3.41Å; P358-A362 PolarHBondContact O-N 2.95Å
359	E	75.1	Confident	72.5	Confident	84 Å²	84	65.4 Å²	65.4	39%	0.393	35%	0.352	S	S	.	.	H	α-helix	trans	-58.4	-31.2	175.6	-177.3	-178.8	174.2	0	0	112.2	D357 K363 K728	D357-E359 PolarHBondContact O-N 3.34Å; D357-E359 VanDerWaalsContact OD1-CB 3.25Å; D357-E359 WeakPolarHBondContact OD1-CB 3.43Å; D357-E359 PolarHBondContact OD1-N 2.96Å; E359-K363 WeakPolarHBondContact O-CD 3.38Å; E359-K363 WeakPolarHBondContact O-CE 3.48Å; E359-K363 WeakPolarHBondContact O-CG 3.49Å; E359-K728 IonicContact OE1-NZ 2.71Å; E359-K728 PolarHBondContact OE1-NZ 3.46Å; E359-K728 IonicContact OE2-NZ 3.66Å; E359-K728 PolarHBondContact OE2-NZ 3.42Å
360	F	77.3	Confident	72	Confident	35 Å²	35	61.4 Å²	61.4	15%	0.154	35%	0.345	C	S	.	.	H	α-helix	trans	-93	-49.7	176.9	-55.7	-55.7	0	0	0	111.1	V72 Q75 D357 P358 A362 K363	V72-F360 WeakPolarHBondContact CB-O 3.42Å; V72-F360 HydrophobicContact CG1-CB 4.34Å; V72-F360 CarbonylContact O-C 3.53Å; V72-F360 WeakPolarHBondContact O-CB 3.45Å; Q75-F360 HydrophobicContact CB-CD1 4.07Å; Q75-F360 HydrophobicContact CB-CE1 3.86Å; D357-F360 HydrophobicContact CB-CD2 3.4Å; D357-F360 VanDerWaalsContact CB-CD2 3.4Å; D357-F360 HydrophobicContact CB-CE2 3.78Å; D357-F360 HydrophobicContact CB-CG 4.33Å; D357-F360 PolarHBondContact O-N 3.24Å; P358-F360 PolarHBondContact O-N 3.45Å; F360-A362 PolarHBondContact O-N 2.76Å; F360-K363 VanDerWaalsContact O-CB 3.29Å; F360-K363 WeakPolarHBondContact O-CB 3.45Å; F360-K363 PolarHBondContact O-N 3.28Å
361	T	79.3	Confident	71.8	Confident	31 Å²	31	63 Å²	63	19%	0.19	35%	0.353	C	S	.	.	H	α-helix	trans	-67.3	-23.6	-171.7	57	0	0	0	0	113.7	V72 T353 F356 D357 P358 K363	V72-T361 WeakPolarHBondContact O-CA 3.42Å; V72-T361 PolarHBondContact O-N 3.21Å; T353-T361 HydrophobicContact CG2-CG2 4.36Å; T353-T361 WeakPolarHBondContact OG1-CG2 3.35Å; F356-T361 HydrophobicContact CB-CG2 3.59Å; D357-T361 PolarHBondContact O-N 3.1Å; D357-T361 PolarHBondContact O-OG1 3.26Å; P358-T361 WeakPolarHBondContact CA-OG1 3.34Å; P358-T361 PolarHBondContact O-N 3.38Å; T361-K363 VanDerWaalsContact C-N 3.33Å
362	A	73.6	Confident	71.3	Confident	89 Å²	89	64.8 Å²	64.8	74%	0.736	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-12.7	172.8	0	0	0	0	0	113.9	P358 F360	P358-A362 WeakPolarHBondContact O-CB 3.41Å; P358-A362 PolarHBondContact O-N 2.95Å; F360-A362 PolarHBondContact O-N 2.76Å
363	K	76.1	Confident	70.4	Confident	74 Å²	74	64.2 Å²	64.2	32%	0.322	37%	0.365	S	S	.	.	S	Bend	trans	-73.6	141.8	178.9	-68.7	172.1	176.2	161.6	0	110.5	V72 E359 F360 T361	V72-K363 HydrophobicContact CB-CB 4.47Å; V72-K363 HydrophobicContact CG2-CB 4.13Å; E359-K363 WeakPolarHBondContact O-CD 3.38Å; E359-K363 WeakPolarHBondContact O-CE 3.48Å; E359-K363 WeakPolarHBondContact O-CG 3.49Å; F360-K363 VanDerWaalsContact O-CB 3.29Å; F360-K363 WeakPolarHBondContact O-CB 3.45Å; F360-K363 PolarHBondContact O-N 3.28Å; T361-K363 VanDerWaalsContact C-N 3.33Å
364	T	76.6	Confident	69.7	Low	99 Å²	99	67.3 Å²	67.3	61%	0.607	39%	0.388	S	S	*	.			trans	-60.1	126.9	172.9	-43.5	0	0	0	0	109.9	R366	T364-R366 VanDerWaalsContact C-N 3.28Å; T364-R366 HydrophobicContact CG2-CG 3.94Å; T364-R366 PolarHBondContact O-N 2.81Å
365	P	77.7	Confident	68.9	Low	34 Å²	34	67.3 Å²	67.3	22%	0.221	40%	0.402	C	S	.	.			trans	-74	80.1	-178.4	33.5	-39.8	0	0	0	110.2	L69 R70	L69-P365 HydrophobicContact CB-CB 4.15Å; R70-P365 WeakPolarHBondContact O-CG 3.36Å
366	R	76.1	Confident	67.9	Low	186 Å²	186	72.5 Å²	72.5	70%	0.702	43%	0.431	S	S	*	.			trans	-116	124.4	176.3	-66.7	-172.6	178.4	-173.7	0.5	110.8	T364	T364-R366 VanDerWaalsContact C-N 3.28Å; T364-R366 HydrophobicContact CG2-CG 3.94Å; T364-R366 PolarHBondContact O-N 2.81Å
367	D	68.3	Low	66.6	Low	54 Å²	54	71.1 Å²	71.1	29%	0.289	43%	0.425	S	S	.	.			trans	-84.1	109.6	169.3	-173.4	20.2	0	0	0	110	L69 K141 Y143	L69-D367 HydrophobicContact CD1-CB 3.95Å; K141-D367 IonicContact NZ-OD1 2.73Å; K141-D367 PolarHBondContact NZ-OD1 2.87Å; K141-D367 IonicContact NZ-OD2 3.37Å; K141-D367 PolarHBondContact NZ-OD2 3.25Å; Y143-D367 PolarHBondContact OH-OD2 3Å
368	S	69	Low	65.9	Low	48 Å²	48	73.6 Å²	73.6	34%	0.336	44%	0.435	S	S	.	.			trans	-73.8	142.7	-176.8	-48.3	0	0	0	0	111.4	K141	K141-S368 WeakPolarHBondContact CE-O 3.33Å; K141-S368 PolarHBondContact NZ-O 3.14Å
369	P	62.2	Low	65.5	Low	124 Å²	124	75.3 Å²	75.3	81%	0.805	44%	0.436	S	S	*	.			trans	-52	141.9	178.8	-24	32.4	0	0	0	112.9
370	G	56.9	Low	64.6	Low	27 Å²	27	74.1 Å²	74.1	28%	0.278	43%	0.432	S	S	.	.			trans	-107.2	131	178.2	0	0	0	0	0	110.5
371	V	58.8	Low	63.9	Low	106 Å²	106	72.5 Å²	72.5	64%	0.642	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-73.2	137.3	175.3	-174.7	0	0	0	0	109.3
372	P	56.9	Low	63.2	Low	79 Å²	79	79.6 Å²	79.6	51%	0.513	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-60.4	137.6	176.1	-19.6	30.7	0	0	0	111
373	P	56.3	Low	62.6	Low	22 Å²	22	76.6 Å²	76.6	14%	0.143	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-79.9	168.7	176.1	39.4	-40.1	0	0	0	110.9	K103 E139 A377	K103-P373 HydrophobicContact CB-CB 3.95Å; K103-P373 HydrophobicContact CB-CG 3.76Å; K103-P373 HydrophobicContact CD-CG 3.88Å; K103-P373 HydrophobicContact CG-CG 4.48Å; E139-P373 WeakPolarHBondContact O-CD 3.48Å; P373-A377 HydrophobicContact CB-CB 3.64Å; P373-A377 HydrophobicContact CG-CB 4.06Å
374	S	57.7	Low	62.4	Low	81 Å²	81	73.1 Å²	73.1	57%	0.566	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-59.5	155.1	175.6	60.4	0	0	0	0	112.8	N376 A377 H378	S374-N376 VanDerWaalsContact C-N 3.3Å; S374-N376 PolarHBondContact O-N 2.82Å; S374-A377 WeakPolarHBondContact O-CA 3.5Å; S374-A377 WeakPolarHBondContact O-CB 3.35Å; S374-A377 PolarHBondContact O-N 3.38Å; S374-H378 PolarHBondContact O-N 2.94Å
375	A	55.2	Low	62.3	Low	76 Å²	76	69.8 Å²	69.8	63%	0.628	39%	0.392	S	S	*	.	H	α-helix	trans	-53.5	-40.4	-174.7	0	0	0	0	0	114.1	A377 H378 Q379	A375-A377 VanDerWaalsContact C-N 3.29Å; A375-A377 PolarHBondContact O-N 2.91Å; A375-H378 PolarHBondContact O-N 2.87Å; A375-Q379 PolarHBondContact O-N 2.84Å
376	N	52.3	Low	62.3	Low	130 Å²	130	70 Å²	70	70%	0.695	39%	0.389	S	S	*	.	H	α-helix	trans	-64.7	-30.2	176.2	-73.7	2.5	0	0	0	113	S374 H378	S374-N376 VanDerWaalsContact C-N 3.3Å; S374-N376 PolarHBondContact O-N 2.82Å; N376-H378 VanDerWaalsContact C-N 3.34Å
377	A	51.6	Low	62.2	Low	1 Å²	1	63.3 Å²	63.3	1%	0.008	37%	0.369	C	S	.	.	H	α-helix	trans	-69.7	-32.5	175.4	0	0	0	0	0	112.7	R111 P373 S374 A375 F381	R111-A377 VanDerWaalsContact CZ-CB 3.4Å; P373-A377 HydrophobicContact CB-CB 3.64Å; P373-A377 HydrophobicContact CG-CB 4.06Å; S374-A377 WeakPolarHBondContact O-CA 3.5Å; S374-A377 WeakPolarHBondContact O-CB 3.35Å; S374-A377 PolarHBondContact O-N 3.38Å; A375-A377 VanDerWaalsContact C-N 3.29Å; A375-A377 PolarHBondContact O-N 2.91Å; A377-F381 VanDerWaalsContact O-CD2 3.24Å; A377-F381 WeakPolarHBondContact O-CD2 3.3Å
378	H	57.9	Low	62.3	Low	84 Å²	84	61.5 Å²	61.5	39%	0.389	36%	0.362	S	S	.	.	H	α-helix	trans	-72.9	-33.8	-177.7	-164.7	93.9	0	0	0	111.8	S374 A375 N376 L380 F381	S374-H378 PolarHBondContact O-N 2.94Å; A375-H378 PolarHBondContact O-N 2.87Å; N376-H378 VanDerWaalsContact C-N 3.34Å; H378-L380 PolarHBondContact O-N 3.11Å; H378-F381 PolarHBondContact O-N 3.36Å
379	Q	61	Low	61.6	Low	117 Å²	117	65.5 Å²	65.5	55%	0.547	38%	0.378	S	S	.	.	H	α-helix	trans	-64	-37.5	178.9	-67.4	-177.8	10.6	0	0	113	A375 F381 R382	A375-Q379 PolarHBondContact O-N 2.84Å; Q379-F381 PolarHBondContact O-N 3Å; Q379-R382 WeakPolarHBondContact O-CB 3.48Å; Q379-R382 PolarHBondContact O-N 2.92Å; Q379-R382 VanDerWaalsContact O-N 3.16Å
380	L	56.7	Low	60.8	Low	59 Å²	59	63.7 Å²	63.7	31%	0.309	37%	0.365	S	S	.	.	H	α-helix	trans	-62.1	-27.9	-178.3	-172	65.3	0	0	0	113.4	R111 V112 K115 H378	R111-L380 HydrophobicContact CB-CD2 3.57Å; V112-L380 HydrophobicContact CG2-CD2 4.36Å; K115-L380 PolarHBondContact NZ-O 3.25Å; H378-L380 PolarHBondContact O-N 3.11Å
381	F	61.7	Low	59.9	Low	1 Å²	1	70.1 Å²	70.1	0%	0.004	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	10.3	-179.2	-61.1	-64	0	0	0	113.9	K103 L106 R111 Q137 L142 A377 H378 Q379 G383 F384	K103-F381 HydrophobicContact CD-CD2 4.25Å; K103-F381 HydrophobicContact CD-CE2 4.46Å; K103-F381 HydrophobicContact CG-CD2 4.49Å; K103-F381 HydrophobicContact CG-CE2 4.24Å; L106-F381 HydrophobicContact CD1-CZ 4.27Å; R111-F381 HydrophobicContact CB-CE1 4.09Å; R111-F381 HydrophobicContact CB-CE2 4.21Å; R111-F381 HydrophobicContact CB-CZ 3.46Å; R111-F381 VanDerWaalsContact CB-CZ 3.46Å; R111-F381 HydrophobicContact CG-CE2 4Å; R111-F381 HydrophobicContact CG-CZ 3.56Å; Q137-F381 PolarHBondContact NE2-O 2.97Å; L142-F381 HydrophobicContact CD1-CD1 3.86Å; L142-F381 HydrophobicContact CD1-CE1 3.43Å; L142-F381 VanDerWaalsContact CD1-CE1 3.43Å; L142-F381 HydrophobicContact CD1-CE2 4.31Å; L142-F381 HydrophobicContact CD1-CG 4.46Å; L142-F381 HydrophobicContact CD1-CZ 3.65Å; L142-F381 HydrophobicContact CD2-CB 4.35Å; L142-F381 HydrophobicContact CD2-CD1 4.01Å; L142-F381 HydrophobicContact CD2-CD2 4.5Å; L142-F381 HydrophobicContact CD2-CE1 4.42Å; L142-F381 HydrophobicContact CD2-CG 4.05Å; A377-F381 VanDerWaalsContact O-CD2 3.24Å; A377-F381 WeakPolarHBondContact O-CD2 3.3Å; H378-F381 PolarHBondContact O-N 3.36Å; Q379-F381 PolarHBondContact O-N 3Å; F381-G383 PolarHBondContact O-N 3.21Å; F381-F384 HydrophobicContact CD1-CD2 4.34Å; F381-F384 VanDerWaalsContact O-CB 3.31Å; F381-F384 WeakPolarHBondContact O-CB 3.3Å; F381-F384 PolarHBondContact O-N 2.73Å
382	R	64.7	Low	58.8	Low	181 Å²	181	74.5 Å²	74.5	68%	0.683	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	134.4	167.5	-76.7	-174.8	173.4	-177.8	-0.6	109.6	Q379	Q379-R382 WeakPolarHBondContact O-CB 3.48Å; Q379-R382 PolarHBondContact O-N 2.92Å; Q379-R382 VanDerWaalsContact O-N 3.16Å
383	G	60.1	Low	57.6	Low	25 Å²	25	78.8 Å²	78.8	26%	0.258	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	4.4	-176.5	0	0	0	0	0	116	R118 F381 S385	R118-G383 PolarHBondContact NH1-O 2.61Å; F381-G383 PolarHBondContact O-N 3.21Å; G383-S385 PolarHBondContact O-N 2.82Å
384	F	72	Confident	56.3	Low	1 Å²	1	83.6 Å²	83.6	0%	0.004	45%	0.446	C	S	.	.			trans	-66.3	-21.1	-179.8	-168.4	-92.4	0	0	0	114.5	T114 R118 A135 F136 Q137 L142 L144 F381	T114-F384 HydrophobicContact CG2-CE2 4.19Å; T114-F384 HydrophobicContact CG2-CZ 4.41Å; R118-F384 HydrophobicContact CB-CD2 4.47Å; R118-F384 HydrophobicContact CB-CE2 3.86Å; R118-F384 HydrophobicContact CB-CZ 4.31Å; R118-F384 HydrophobicContact CG-CD2 4.29Å; R118-F384 HydrophobicContact CG-CE2 3.97Å; R118-F384 HydrophobicContact CG-CZ 4.22Å; A135-F384 HydrophobicContact CB-CD1 4.33Å; A135-F384 HydrophobicContact CB-CE1 4.05Å; A135-F384 WeakPolarHBondContact CB-O 3.15Å; F136-F384 WeakPolarHBondContact O-CE1 3.28Å; Q137-F384 HydrophobicContact CB-CD1 4.28Å; L142-F384 HydrophobicContact CB-CE1 3.96Å; L142-F384 HydrophobicContact CB-CZ 3.9Å; L142-F384 HydrophobicContact CD1-CE2 4.24Å; L142-F384 HydrophobicContact CD1-CZ 4.29Å; L142-F384 HydrophobicContact CD2-CD1 3.9Å; L142-F384 HydrophobicContact CD2-CD2 4.21Å; L142-F384 HydrophobicContact CD2-CE1 3.95Å; L142-F384 HydrophobicContact CD2-CE2 4.26Å; L142-F384 HydrophobicContact CD2-CG 4.03Å; L142-F384 HydrophobicContact CD2-CZ 4.12Å; L142-F384 HydrophobicContact CG-CE1 4.46Å; L142-F384 HydrophobicContact CG-CZ 4.33Å; L144-F384 HydrophobicContact CD2-CE1 4.05Å; L144-F384 HydrophobicContact CD2-CZ 3.61Å; L144-F384 HydrophobicContact CG-CZ 4.21Å; F381-F384 HydrophobicContact CD1-CD2 4.34Å; F381-F384 VanDerWaalsContact O-CB 3.31Å; F381-F384 WeakPolarHBondContact O-CB 3.3Å; F381-F384 PolarHBondContact O-N 2.73Å
385	S	75.6	Confident	54.9	Low	29 Å²	29	85.4 Å²	85.4	20%	0.203	45%	0.453	C	S	.	.			trans	-74.7	128.4	-177.7	-69.6	0	0	0	0	112	A135 G383	A135-S385 CarbonylContact O-C 3.45Å; A135-S385 WeakPolarHBondContact O-CA 3.23Å; G383-S385 PolarHBondContact O-N 2.82Å
386	F	78.5	Confident	53.6	Low	39 Å²	39	87.8 Å²	87.8	17%	0.171	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	145.4	-177.8	172.2	-102.8	0	0	0	110.9	V122 L132 Y134 A135 A388	V122-F386 HydrophobicContact CB-CE2 4.41Å; V122-F386 HydrophobicContact CB-CZ 4.37Å; V122-F386 HydrophobicContact CG1-CD2 4.1Å; V122-F386 HydrophobicContact CG1-CE2 3.63Å; V122-F386 HydrophobicContact CG1-CZ 3.9Å; V122-F386 HydrophobicContact CG2-CB 4.41Å; V122-F386 HydrophobicContact CG2-CD1 3.75Å; V122-F386 HydrophobicContact CG2-CD2 3.86Å; V122-F386 HydrophobicContact CG2-CE1 3.86Å; V122-F386 HydrophobicContact CG2-CE2 3.98Å; V122-F386 HydrophobicContact CG2-CG 3.74Å; V122-F386 HydrophobicContact CG2-CZ 3.97Å; L132-F386 HydrophobicContact CD2-CD1 4.09Å; L132-F386 HydrophobicContact CD2-CE1 4.45Å; L132-F386 HydrophobicContact CG-CD1 4.37Å; Y134-F386 WeakPolarHBondContact CA-O 3.08Å; A135-F386 HydrophobicContact CB-CB 4.08Å; A135-F386 PolarHBondContact N-O 3.16Å; A135-F386 PolarHBondContact O-N 3.26Å; A135-F386 VanDerWaalsContact O-O 3.12Å; F386-A388 HydrophobicContact CE1-CB 3.76Å; F386-A388 HydrophobicContact CZ-CB 3.99Å
387	V	73.3	Confident	52.2	Low	45 Å²	45	89.7 Å²	89.7	27%	0.273	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	118.4	171.7	-179.9	0	0	0	0	107.6	A62 Y134	A62-V387 HydrophobicContact CB-CG2 4.42Å; Y134-V387 HydrophobicContact CD1-CB 4.32Å; Y134-V387 HydrophobicContact CD1-CG1 3.86Å; Y134-V387 HydrophobicContact CD1-CG2 4.07Å; Y134-V387 HydrophobicContact CE1-CG1 3.64Å
388	A	70.6	Confident	51.1	Low	17 Å²	17	95 Å²	95	14%	0.14	50%	0.503	C	S	.	.			trans	-69.4	141.4	177.8	0	0	0	0	0	110.7	L132 H133 F386 T390	L132-A388 WeakPolarHBondContact O-CB 3.25Å; H133-A388 WeakPolarHBondContact O-CB 3.27Å; H133-A388 PolarHBondContact O-N 2.63Å; F386-A388 HydrophobicContact CE1-CB 3.76Å; F386-A388 HydrophobicContact CZ-CB 3.99Å; A388-T390 PolarHBondContact O-N 2.86Å
389	I	53.5	Low	49.6	Very low	131 Å²	131	98.3 Å²	98.3	67%	0.672	52%	0.524	S	S	*	.			trans	-80.9	114.4	169.9	-55.6	172.6	0	0	0	106.5	E391	I389-E391 PolarHBondContact O-N 3.31Å; I389-E391 VanDerWaalsContact O-N 3.17Å
390	T	46.3	Very low	47.9	Very low	86 Å²	86	98.9 Å²	98.9	53%	0.528	54%	0.536	S	S	.	.			trans	-71.3	104.5	167.8	37.7	0	0	0	0	108.2	A388	A388-T390 PolarHBondContact O-N 2.86Å
391	E	38.1	Very low	46.4	Very low	163 Å²	163	103 Å²	103	76%	0.762	56%	0.556	S	S	*	*			trans	-62	130.1	155	-68.8	-179.1	171	0	0	107.1	I389 E393	I389-E391 PolarHBondContact O-N 3.31Å; I389-E391 VanDerWaalsContact O-N 3.17Å; E391-E393 PolarHBondContact O-N 3.28Å
392	E	34.8	Very low	44.7	Very low	197 Å²	197	109.4 Å²	109.4	92%	0.921	60%	0.595	S	S	*	*			trans	-63	96.6	179.8	-67.1	178.9	168.3	0	0	109.1
393	E	32	Very low	42.9	Very low	169 Å²	169	109 Å²	109	79%	0.79	60%	0.601	S	S	*	*			trans	-66	139.2	162.7	-76.8	-162.1	173.5	0	0	108.8	E391 T395	E391-E393 PolarHBondContact O-N 3.28Å; E393-T395 PolarHBondContact O-N 2.98Å
394	P	28.2	Very low	41.5	Very low	124 Å²	124	115.9 Å²	115.9	81%	0.805	63%	0.627	S	S	*	*			trans	-62.2	113.4	-178.8	25	-32.3	0	0	0	109.6
395	T	28.5	Very low	39.2	Very low	119 Å²	119	122.4 Å²	122.4	73%	0.73	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-55.3	130	175.1	47.2	0	0	0	0	110.9	E393 M397	E393-T395 PolarHBondContact O-N 2.98Å; T395-M397 PolarHBondContact O-N 3.45Å
396	P	28.3	Very low	36.9	Very low	125 Å²	125	128.2 Å²	128.2	81%	0.812	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-62.7	134.2	159.6	19.5	-20.2	0	0	0	108.8
397	M	23.1	Very low	34.6	Very low	171 Å²	171	136.9 Å²	136.9	84%	0.842	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-51.2	140.6	-172.1	-65.6	-163.3	-65.4	0	0	113.1	T395 N399	T395-M397 PolarHBondContact O-N 3.45Å; M397-N399 PolarHBondContact O-N 3Å
398	P	28.2	Very low	32.6	Very low	112 Å²	112	138 Å²	138	73%	0.727	73%	0.726	S	S	*	*			trans	-78.2	111.6	178.2	30.5	-30.7	0	0	0	110.1	T400	P398-T400 PolarHBondContact O-N 2.84Å
399	N	26.1	Very low	31.3	Very low	154 Å²	154	142.8 Å²	142.8	82%	0.824	75%	0.754	S	S	*	*			trans	-75.8	97.7	156.3	-81.4	-16	0	0	0	108.5	M397	M397-N399 PolarHBondContact O-N 3Å
400	T	24.8	Very low	31.6	Very low	129 Å²	129	138.2 Å²	138.2	79%	0.791	73%	0.733	S	S	*	*			trans	-39.8	132.4	150.5	18.8	0	0	0	0	109.6	P398	P398-T400 PolarHBondContact O-N 2.84Å
401	I	27.1	Very low	33	Very low	144 Å²	144	140.5 Å²	140.5	74%	0.738	74%	0.738	S	S	*	*			cis	-145.9	114.4	36.8	-65.2	165.7	0	0	0	106.9	Q403	I401-Q403 HydrophobicContact CG2-CG 4.34Å
402	V	25.4	Very low	35.3	Very low	137 Å²	137	133.5 Å²	133.5	83%	0.83	71%	0.705	S	S	*	*			trans	-110.3	97.4	165.5	-178.3	0	0	0	0	106.9	Q404	V402-Q404 PolarHBondContact O-N 3.39Å
403	Q	26.6	Very low	37.7	Very low	171 Å²	171	127 Å²	127	80%	0.799	68%	0.681	S	S	*	*			trans	-58.3	125.4	167.8	-85.2	176.9	-17.8	0	0	108.9	I401 L405	I401-Q403 HydrophobicContact CG2-CG 4.34Å; Q403-L405 PolarHBondContact O-N 3.38Å
404	Q	30.1	Very low	40.2	Very low	170 Å²	170	123.3 Å²	123.3	79%	0.794	67%	0.667	S	S	*	*			trans	-46.4	127.9	171.5	-71.1	170.2	-26.9	0	0	111.3	V402	V402-Q404 PolarHBondContact O-N 3.39Å
405	L	25	Very low	43	Very low	138 Å²	138	118.4 Å²	118.4	72%	0.723	63%	0.634	S	S	*	*			trans	-144.5	117.8	147.8	-103.4	140.7	0	0	0	109	Q403 V437	Q403-L405 PolarHBondContact O-N 3.38Å; L405-V437 HydrophobicContact CD1-CG1 4.33Å; L405-V437 HydrophobicContact CD2-CG1 4.43Å
406	H	26.6	Very low	46.1	Very low	152 Å²	152	113.1 Å²	113.1	70%	0.704	60%	0.601	S	S	*	*			trans	-79	152.4	178.2	-82.8	88.4	0	0	0	111.9
407	R	30.9	Very low	49.2	Very low	220 Å²	220	111.5 Å²	111.5	83%	0.83	58%	0.583	S	S	*	*			trans	71.7	141.9	161.3	-64	168.1	-174.6	179.7	2	115.3
408	S	31.3	Very low	52.6	Low	69 Å²	69	106.6 Å²	106.6	48%	0.483	56%	0.559	S	S	.	*			cis	-163	-165.4	0.9	45.1	0	0	0	0	106.6	S410	S408-S410 PolarHBondContact O-N 2.69Å; S408-S410 PolarHBondContact O-OG 3.05Å; S408-S410 PolarHBondContact OG-OG 3.46Å
409	T	43.4	Very low	55.7	Low	118 Å²	118	104.4 Å²	104.4	72%	0.724	54%	0.538	S	S	*	.			trans	-53	55.1	160.1	16.4	0	0	0	0	113
410	S	59.5	Low	58.9	Low	34 Å²	34	101.6 Å²	101.6	24%	0.238	52%	0.52	C	S	.	.			trans	-78.9	130.8	-170.6	-60.9	0	0	0	0	109.9	S408	S408-S410 PolarHBondContact O-N 2.69Å; S408-S410 PolarHBondContact O-OG 3.05Å; S408-S410 PolarHBondContact OG-OG 3.46Å
411	Q	75.8	Confident	62.1	Low	134 Å²	134	99.8 Å²	99.8	63%	0.626	51%	0.506	S	S	*	.			trans	-68.2	156.8	170.8	-65.6	-177	-10.2	0	0	108.8	S413 D414	Q411-S413 PolarHBondContact O-N 3.44Å; Q411-S413 VanDerWaalsContact O-N 3.1Å; Q411-D414 PolarHBondContact N-OD2 3.44Å; Q411-D414 WeakPolarHBondContact O-CB 3.5Å; Q411-D414 PolarHBondContact O-N 2.91Å
412	Y	85	Confident	65	Low	17 Å²	17	96.8 Å²	96.8	7%	0.067	49%	0.49	C	S	.	.	H	α-helix	trans	-49.3	-41.1	176.2	168.5	-90.9	0	0	0	111.8	D414 T415 Y416 I418 C433 V444 Y477 F484 V486	Y412-D414 PolarHBondContact O-N 3.01Å; Y412-T415 PolarHBondContact O-N 3.17Å; Y412-Y416 HydrophobicContact CD2-CD2 4.17Å; Y412-Y416 HydrophobicContact CE2-CD2 4.02Å; Y412-Y416 AromaticContact CE2-CG 3.99Å; Y412-Y416 HydrophobicContact CE2-CG 3.99Å; Y412-Y416 PolarHBondContact O-N 2.85Å; Y412-I418 HydrophobicContact CD1-CD1 4.42Å; Y412-I418 HydrophobicContact CE1-CD1 3.52Å; Y412-I418 HydrophobicContact CE1-CG1 3.52Å; Y412-I418 VanDerWaalsContact OH-CG1 3.24Å; Y412-I418 WeakPolarHBondContact OH-CG1 3.47Å; Y412-C433 VanDerWaalsContact OH-CB 3.22Å; Y412-C433 WeakPolarHBondContact OH-CB 3.33Å; Y412-V444 HydrophobicContact CE2-CB 4.28Å; Y412-V444 HydrophobicContact CE2-CG2 3.77Å; Y412-V444 WeakPolarHBondContact OH-CG1 3.16Å; Y412-Y477 AromaticContact CD2-CD2 3.74Å; Y412-Y477 HydrophobicContact CD2-CD2 3.74Å; Y412-Y477 HydrophobicContact CD2-CE2 4.15Å; Y412-Y477 HydrophobicContact CD2-CG 4.27Å; Y412-Y477 HydrophobicContact CG-CD2 4.45Å; Y412-F484 AromaticContact CD1-CD1 3.87Å; Y412-F484 HydrophobicContact CD1-CD1 3.87Å; Y412-F484 AromaticContact CD1-CE1 3.97Å; Y412-F484 HydrophobicContact CD1-CE1 3.97Å; Y412-F484 HydrophobicContact CD2-CB 3.89Å; Y412-F484 AromaticContact CD2-CD1 3.98Å; Y412-F484 HydrophobicContact CD2-CD1 3.98Å; Y412-F484 HydrophobicContact CD2-CG 4.05Å; Y412-F484 HydrophobicContact CE1-CD1 4.18Å; Y412-F484 HydrophobicContact CE1-CE1 4.37Å; Y412-F484 HydrophobicContact CE2-CB 4.38Å; Y412-F484 HydrophobicContact CE2-CD1 4.25Å; Y412-F484 HydrophobicContact CG-CB 4.32Å; Y412-F484 AromaticContact CG-CD1 3.79Å; Y412-F484 HydrophobicContact CG-CD1 3.79Å; Y412-F484 HydrophobicContact CG-CE1 4.25Å; Y412-F484 AromaticContact CG-CG 3.98Å; Y412-F484 HydrophobicContact CG-CG 3.98Å; Y412-V486 HydrophobicContact CD2-CG2 4.33Å; Y412-V486 HydrophobicContact CE2-CG2 3.95Å
413	S	86.1	Confident	67.6	Low	60 Å²	60	91.6 Å²	91.6	42%	0.42	47%	0.465	S	S	.	.	H	α-helix	trans	-66	-17.5	178.8	51.8	0	0	0	0	114.8	Q411 K436	Q411-S413 PolarHBondContact O-N 3.44Å; Q411-S413 VanDerWaalsContact O-N 3.1Å; S413-K436 VanDerWaalsContact O-CE 3.26Å; S413-K436 WeakPolarHBondContact O-CE 3.43Å; S413-K436 PolarHBondContact O-NZ 3.39Å
414	D	85.1	Confident	69.8	Low	92 Å²	92	89 Å²	89	49%	0.492	46%	0.46	S	S	.	.	H	α-helix	trans	-81.5	-32.8	177.7	-60.3	-30.6	0	0	0	110.9	Q411 Y412	Q411-D414 PolarHBondContact N-OD2 3.44Å; Q411-D414 WeakPolarHBondContact O-CB 3.5Å; Q411-D414 PolarHBondContact O-N 2.91Å; Y412-D414 PolarHBondContact O-N 3.01Å
415	T	86.2	Confident	71.6	Confident	21 Å²	21	82.7 Å²	82.7	13%	0.129	44%	0.441	C	S	.	.	H	α-helix	trans	-97.1	-37.5	-173.4	-49.7	0	0	0	0	112.5	Y412 H435 K436	Y412-T415 PolarHBondContact O-N 3.17Å; T415-H435 VanDerWaalsContact CG2-CD2 3.42Å; T415-H435 WeakPolarHBondContact CG2-CD2 3.21Å; T415-H435 WeakPolarHBondContact CG2-NE2 3.38Å; T415-K436 PolarHBondContact O-N 2.84Å
416	Y	92.6	Very high	73.6	Confident	8 Å²	8	81.6 Å²	81.6	3%	0.031	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	148	-173.6	-68.1	-86.9	0	0	0	112.2	Y412 I434 H435 K436 Y442 D475 Y477 V486	Y412-Y416 HydrophobicContact CD2-CD2 4.17Å; Y412-Y416 HydrophobicContact CE2-CD2 4.02Å; Y412-Y416 AromaticContact CE2-CG 3.99Å; Y412-Y416 HydrophobicContact CE2-CG 3.99Å; Y412-Y416 PolarHBondContact O-N 2.85Å; Y416-I434 CarbonylContact C-O 3.58Å; Y416-I434 WeakPolarHBondContact CA-O 3.43Å; Y416-H435 HydrophobicContact CD1-CB 4.04Å; Y416-H435 HydrophobicContact CE1-CB 3.7Å; Y416-H435 AromaticContact CE1-CD2 3.77Å; Y416-H435 AromaticContact CZ-CD2 3.64Å; Y416-K436 WeakPolarHBondContact O-CE 3.35Å; Y416-Y442 HydrophobicContact CD1-CD2 4.38Å; Y416-Y442 AromaticContact CE1-CD2 3.62Å; Y416-Y442 HydrophobicContact CE1-CD2 3.62Å; Y416-Y442 HydrophobicContact CE1-CE2 4.07Å; Y416-Y442 HydrophobicContact CE1-CG 4.2Å; Y416-D475 HydrophobicContact CE2-CB 4.5Å; Y416-D475 WeakPolarHBondContact CE2-OD2 3.21Å; Y416-D475 PolarHBondContact OH-OD2 2.65Å; Y416-Y477 AromaticContact CD2-CE2 3.98Å; Y416-Y477 HydrophobicContact CD2-CE2 3.98Å; Y416-Y477 AromaticContact CE2-CE2 3.74Å; Y416-Y477 HydrophobicContact CE2-CE2 3.74Å; Y416-Y477 AromaticContact CE2-CZ 4Å; Y416-V486 HydrophobicContact CD1-CG1 4.47Å; Y416-V486 HydrophobicContact CD2-CG2 4.3Å; Y416-V486 HydrophobicContact CE1-CG1 3.8Å; Y416-V486 HydrophobicContact CE2-CG1 4.39Å; Y416-V486 HydrophobicContact CE2-CG2 4.06Å
417	E	94.1	Very high	75.8	Confident	90 Å²	90	75.9 Å²	75.9	42%	0.421	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	121.8	169.1	-168.1	-165	168.6	0	0	109.4	K419 C433 I434 K436	E417-K419 IonicContact OE1-NZ 3.7Å; E417-K419 PolarHBondContact OE1-NZ 3.27Å; E417-K419 WeakPolarHBondContact OE2-CE 3.33Å; E417-K419 IonicContact OE2-NZ 2.71Å; E417-K419 PolarHBondContact OE2-NZ 2.87Å; E417-C433 CarbonylContact O-C 3.59Å; E417-C433 WeakPolarHBondContact O-CA 3.4Å; E417-C433 WeakPolarHBondContact O-CB 3.4Å; E417-I434 PolarHBondContact N-O 2.97Å; E417-I434 PolarHBondContact O-N 2.77Å; E417-K436 HydrophobicContact CB-CG 4.39Å
418	I	94.4	Very high	78.3	Confident	69 Å²	69	65.8 Å²	65.8	35%	0.354	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	139.8	175.5	-73.6	168.1	0	0	0	110.1	Y412 K431 I446	Y412-I418 HydrophobicContact CD1-CD1 4.42Å; Y412-I418 HydrophobicContact CE1-CD1 3.52Å; Y412-I418 HydrophobicContact CE1-CG1 3.52Å; Y412-I418 VanDerWaalsContact OH-CG1 3.24Å; Y412-I418 WeakPolarHBondContact OH-CG1 3.47Å; I418-K431 HydrophobicContact CG2-CB 4.26Å; I418-K431 HydrophobicContact CG2-CD 3.35Å; I418-K431 HydrophobicContact CG2-CG 4.44Å; I418-I446 HydrophobicContact CD1-CD1 4.17Å
419	K	94.7	Very high	81.1	Confident	65 Å²	65	65.8 Å²	65.8	28%	0.283	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	-143.5	174	-57	-64.9	-173.6	-176.9	0	110.3	E417 R432 I434	E417-K419 IonicContact OE1-NZ 3.7Å; E417-K419 PolarHBondContact OE1-NZ 3.27Å; E417-K419 WeakPolarHBondContact OE2-CE 3.33Å; E417-K419 IonicContact OE2-NZ 2.71Å; E417-K419 PolarHBondContact OE2-NZ 2.87Å; K419-R432 WeakPolarHBondContact CA-O 3.43Å; K419-R432 HydrophobicContact CB-CB 4.28Å; K419-R432 WeakPolarHBondContact CB-O 3.36Å; K419-R432 PolarHBondContact N-O 2.78Å; K419-I434 HydrophobicContact CD-CD1 4.43Å; K419-I434 VanDerWaalsContact CE-CD1 3.4Å; K419-I434 HydrophobicContact CG-CD1 4.25Å; K419-I434 HydrophobicContact CG-CG1 4.1Å
420	E	93.1	Very high	83.3	Confident	96 Å²	96	61.9 Å²	61.9	45%	0.449	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	161.1	-176.7	70.3	-80.8	-176.5	0	0	114.2	K431 R432	E420-K431 WeakPolarHBondContact O-CA 3.3Å; E420-R432 PolarHBondContact O-N 3.02Å; E420-R432 IonicContact OE1-CZ 2.65Å; E420-R432 IonicContact OE1-NE 3.2Å; E420-R432 PolarHBondContact OE1-NE 3.3Å; E420-R432 IonicContact OE1-NH2 3.36Å; E420-R432 PolarHBondContact OE1-NH2 3.38Å; E420-R432 IonicContact OE2-CZ 2.84Å; E420-R432 IonicContact OE2-NE 2.7Å; E420-R432 PolarHBondContact OE2-NE 2.88Å; E420-R432 IonicContact OE2-NH2 3.46Å; E420-R432 PolarHBondContact OE2-NH2 2.92Å
421	D	90.5	Very high	85	Confident	91 Å²	91	62.5 Å²	62.5	49%	0.487	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	128.7	171.4	-68.1	-17.6	0	0	0	109.9	K431	D421-K431 WeakPolarHBondContact OD1-CE 3.31Å; D421-K431 WeakPolarHBondContact OD1-CG 3.34Å; D421-K431 IonicContact OD1-NZ 2.69Å; D421-K431 PolarHBondContact OD1-NZ 2.86Å; D421-K431 IonicContact OD2-NZ 2.76Å
422	I	87.7	Confident	85.9	Confident	80 Å²	80	58.2 Å²	58.2	41%	0.41	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-10.6	176.7	62.5	175.1	0	0	0	112.1	C430 R432 A443 L489	I422-C430 HydrophobicContact CG1-CB 3.92Å; I422-C430 WeakPolarHBondContact CG1-O 3.48Å; I422-C430 PolarHBondContact N-O 2.79Å; I422-R432 HydrophobicContact CG2-CB 3.88Å; I422-A443 HydrophobicContact CD1-CB 3.69Å; I422-L489 HydrophobicContact CD1-CD1 3.95Å
423	G	80.1	Confident	86.4	Confident	29 Å²	29	57.4 Å²	57.4	30%	0.299	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.4	149.8	173.3	0	0	0	0	0	112.7	C430	G423-C430 PolarHBondContact N-O 2.74Å; G423-C430 VanDerWaalsContact N-O 3.08Å; G423-C430 PolarHBondContact O-N 3.16Å
424	V	74.5	Confident	86.8	Confident	117 Å²	117	56.1 Å²	56.1	71%	0.709	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	121	176.4	-176.9	0	0	0	0	108.7
425	G	67.6	Low	87.1	Confident	37 Å²	37	53.2 Å²	53.2	38%	0.381	30%	0.296	S	S	.	.			trans	-106	173.2	172.6	0	0	0	0	0	111.9	Y427 S428	G425-Y427 PolarHBondContact O-N 3.4Å; G425-S428 CarbonylContact C-O 3.58Å; G425-S428 WeakPolarHBondContact CA-O 3.41Å; G425-S428 PolarHBondContact N-O 2.78Å
426	S	65.3	Low	87.3	Confident	114 Å²	114	57.7 Å²	57.7	80%	0.797	31%	0.314	S	S	*	.	S	Bend	trans	-62.9	-28.3	-177.1	-47.5	0	0	0	0	113.9
427	Y	73.9	Confident	87.1	Confident	32 Å²	32	62.1 Å²	62.1	13%	0.125	34%	0.341	C	S	.	.	S	Bend	trans	-132.4	3.8	-175.5	46.9	-99.2	0	0	0	113.4	G425 K452 F558	G425-Y427 PolarHBondContact O-N 3.4Å; Y427-K452 HydrophobicContact CD1-CD 4.03Å; Y427-K452 HydrophobicContact CD2-CB 4.27Å; Y427-K452 HydrophobicContact CD2-CD 3.32Å; Y427-K452 HydrophobicContact CD2-CG 4.41Å; Y427-K452 HydrophobicContact CE1-CD 4.04Å; Y427-K452 HydrophobicContact CE2-CD 3.31Å; Y427-K452 HydrophobicContact CG-CB 4.26Å; Y427-K452 HydrophobicContact CG-CD 3.69Å; Y427-K452 PolarHBondContact OH-NZ 2.82Å; Y427-F558 HydrophobicContact CE1-CE1 4.36Å; Y427-F558 AromaticContact CE1-CE2 3.8Å; Y427-F558 HydrophobicContact CE1-CE2 3.8Å; Y427-F558 AromaticContact CE1-CZ 3.56Å; Y427-F558 HydrophobicContact CE1-CZ 3.56Å; Y427-F558 AromaticContact CZ-CE2 3.86Å; Y427-F558 WeakPolarHBondContact OH-CD2 3.41Å; Y427-F558 WeakPolarHBondContact OH-CE2 3.46Å
428	S	83.8	Confident	86.9	Confident	8 Å²	8	61.4 Å²	61.4	6%	0.056	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	156.8	-177.1	67.7	0	0	0	0	112.4	G425 K445 I446	G425-S428 CarbonylContact C-O 3.58Å; G425-S428 WeakPolarHBondContact CA-O 3.41Å; G425-S428 PolarHBondContact N-O 2.78Å; S428-K445 WeakPolarHBondContact OG-CE 3.31Å; S428-I446 CarbonylContact C-O 3.56Å; S428-I446 WeakPolarHBondContact CA-O 3.32Å; S428-I446 WeakPolarHBondContact CB-O 3.46Å
429	I	88.7	Confident	86.6	Confident	70 Å²	70	60.5 Å²	60.5	36%	0.359	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.4	174	-57.6	172.2	0	0	0	107.7	K431 I446	I429-K431 HydrophobicContact CG2-CG 4.03Å; I429-I446 PolarHBondContact N-O 3.29Å; I429-I446 PolarHBondContact O-N 3.42Å
430	C	91.1	Very high	86.4	Confident	36 Å²	36	62.7 Å²	62.7	24%	0.243	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.1	174.2	-64.2	0	0	0	0	109.2	I422 G423 V444	I422-C430 HydrophobicContact CG1-CB 3.92Å; I422-C430 WeakPolarHBondContact CG1-O 3.48Å; I422-C430 PolarHBondContact N-O 2.79Å; G423-C430 PolarHBondContact N-O 2.74Å; G423-C430 VanDerWaalsContact N-O 3.08Å; G423-C430 PolarHBondContact O-N 3.16Å; C430-V444 CarbonylContact C-O 3.49Å; C430-V444 VanDerWaalsContact CA-O 3.29Å; C430-V444 WeakPolarHBondContact CA-O 3.25Å
431	K	94.5	Very high	86.5	Confident	47 Å²	47	61.3 Å²	61.3	20%	0.204	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	151.2	177.8	-58.8	-169.1	175.3	-103.4	0	110.8	I418 E420 D421 I429 A443 V444 I446	I418-K431 HydrophobicContact CG2-CB 4.26Å; I418-K431 HydrophobicContact CG2-CD 3.35Å; I418-K431 HydrophobicContact CG2-CG 4.44Å; E420-K431 WeakPolarHBondContact O-CA 3.3Å; D421-K431 WeakPolarHBondContact OD1-CE 3.31Å; D421-K431 WeakPolarHBondContact OD1-CG 3.34Å; D421-K431 IonicContact OD1-NZ 2.69Å; D421-K431 PolarHBondContact OD1-NZ 2.86Å; D421-K431 IonicContact OD2-NZ 2.76Å; I429-K431 HydrophobicContact CG2-CG 4.03Å; K431-A443 CarbonylContact O-C 3.47Å; K431-A443 WeakPolarHBondContact O-CA 3.43Å; K431-V444 HydrophobicContact CB-CG1 3.93Å; K431-V444 PolarHBondContact N-O 2.98Å; K431-V444 PolarHBondContact O-N 3.45Å; K431-I446 HydrophobicContact CD-CD1 4.05Å; K431-I446 HydrophobicContact CG-CD1 4.4Å
432	R	95.3	Very high	86.7	Confident	44 Å²	44	59 Å²	59	17%	0.166	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	142.9	163.6	-173.3	173	62.2	94	7.3	108.5	K419 E420 I422 E441 L489	K419-R432 WeakPolarHBondContact CA-O 3.43Å; K419-R432 HydrophobicContact CB-CB 4.28Å; K419-R432 WeakPolarHBondContact CB-O 3.36Å; K419-R432 PolarHBondContact N-O 2.78Å; E420-R432 PolarHBondContact O-N 3.02Å; E420-R432 IonicContact OE1-CZ 2.65Å; E420-R432 IonicContact OE1-NE 3.2Å; E420-R432 PolarHBondContact OE1-NE 3.3Å; E420-R432 IonicContact OE1-NH2 3.36Å; E420-R432 PolarHBondContact OE1-NH2 3.38Å; E420-R432 IonicContact OE2-CZ 2.84Å; E420-R432 IonicContact OE2-NE 2.7Å; E420-R432 PolarHBondContact OE2-NE 2.88Å; E420-R432 IonicContact OE2-NH2 3.46Å; E420-R432 PolarHBondContact OE2-NH2 2.92Å; I422-R432 HydrophobicContact CG2-CB 3.88Å; R432-E441 IonicContact CZ-OE1 3.55Å; R432-E441 IonicContact NH1-OE1 3.82Å; R432-E441 PolarHBondContact NH1-OE1 2.72Å; R432-L489 HydrophobicContact CG-CD1 4.49Å; R432-L489 HydrophobicContact CG-CD2 4.09Å
433	C	95.5	Very high	87	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	157.1	173	65.4	0	0	0	0	111.5	Y412 E417 Y442 V444	Y412-C433 VanDerWaalsContact OH-CB 3.22Å; Y412-C433 WeakPolarHBondContact OH-CB 3.33Å; E417-C433 CarbonylContact O-C 3.59Å; E417-C433 WeakPolarHBondContact O-CA 3.4Å; E417-C433 WeakPolarHBondContact O-CB 3.4Å; C433-Y442 PolarHBondContact N-O 3.04Å; C433-Y442 PolarHBondContact O-N 3.37Å; C433-V444 HydrophobicContact CB-CG1 4.06Å
434	I	94.1	Very high	87.7	Confident	33 Å²	33	54.3 Å²	54.3	17%	0.169	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.7	-179.4	-55	-174.3	0	0	0	108.5	Y416 E417 K419 K436 M440 E441	Y416-I434 CarbonylContact C-O 3.58Å; Y416-I434 WeakPolarHBondContact CA-O 3.43Å; E417-I434 PolarHBondContact N-O 2.97Å; E417-I434 PolarHBondContact O-N 2.77Å; K419-I434 HydrophobicContact CD-CD1 4.43Å; K419-I434 VanDerWaalsContact CE-CD1 3.4Å; K419-I434 HydrophobicContact CG-CD1 4.25Å; K419-I434 HydrophobicContact CG-CG1 4.1Å; I434-K436 PolarHBondContact O-N 2.95Å; I434-M440 WeakPolarHBondContact CA-O 3Å; I434-E441 HydrophobicContact CG1-CG 4.44Å
435	H	91.4	Very high	88.6	Confident	30 Å²	30	49.6 Å²	49.6	14%	0.139	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	117.9	172.9	-176.2	-97.6	0	0	0	109.4	T415 Y416 V437 T438 G439 M440 Y442	T415-H435 VanDerWaalsContact CG2-CD2 3.42Å; T415-H435 WeakPolarHBondContact CG2-CD2 3.21Å; T415-H435 WeakPolarHBondContact CG2-NE2 3.38Å; Y416-H435 HydrophobicContact CD1-CB 4.04Å; Y416-H435 HydrophobicContact CE1-CB 3.7Å; Y416-H435 AromaticContact CE1-CD2 3.77Å; Y416-H435 AromaticContact CZ-CD2 3.64Å; H435-V437 PolarHBondContact O-N 3.44Å; H435-V437 VanDerWaalsContact O-N 3.15Å; H435-T438 WeakPolarHBondContact CB-OG1 3.31Å; H435-T438 PolarHBondContact ND1-N 2.88Å; H435-T438 PolarHBondContact ND1-OG1 2.82Å; H435-T438 PolarHBondContact O-N 2.94Å; H435-G439 WeakPolarHBondContact O-CA 3.5Å; H435-G439 PolarHBondContact O-N 3.31Å; H435-M440 PolarHBondContact N-O 3.47Å; H435-Y442 HydrophobicContact CB-CD2 4.12Å; H435-Y442 HydrophobicContact CB-CE2 3.69Å
436	K	89.5	Confident	89.7	Confident	116 Å²	116	49.3 Å²	49.3	50%	0.504	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-31	-167.1	-67.5	-173.2	-173.9	179.3	0	114	S413 T415 Y416 E417 I434	S413-K436 VanDerWaalsContact O-CE 3.26Å; S413-K436 WeakPolarHBondContact O-CE 3.43Å; S413-K436 PolarHBondContact O-NZ 3.39Å; T415-K436 PolarHBondContact O-N 2.84Å; Y416-K436 WeakPolarHBondContact O-CE 3.35Å; E417-K436 HydrophobicContact CB-CG 4.39Å; I434-K436 PolarHBondContact O-N 2.95Å
437	V	88.4	Confident	90.8	Very high	101 Å²	101	43.9 Å²	43.9	61%	0.612	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-42.9	-176.9	178.7	0	0	0	0	111.9	L405 H435	L405-V437 HydrophobicContact CD1-CG1 4.33Å; L405-V437 HydrophobicContact CD2-CG1 4.43Å; H435-V437 PolarHBondContact O-N 3.44Å; H435-V437 VanDerWaalsContact O-N 3.15Å
438	T	90.2	Very high	91.4	Very high	75 Å²	75	44.5 Å²	44.5	46%	0.46	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-15	-172.8	58.4	0	0	0	0	112.5	H435 M440	H435-T438 WeakPolarHBondContact CB-OG1 3.31Å; H435-T438 PolarHBondContact ND1-N 2.88Å; H435-T438 PolarHBondContact ND1-OG1 2.82Å; H435-T438 PolarHBondContact O-N 2.94Å; T438-M440 PolarHBondContact O-N 3.44Å; T438-M440 WeakPolarHBondContact OG1-CB 3.33Å; T438-M440 PolarHBondContact OG1-N 2.72Å
439	G	88.8	Confident	91.2	Very high	49 Å²	49	47.6 Å²	47.6	51%	0.505	25%	0.251	S	S	.	.			trans	68.1	4.9	-172.1	0	0	0	0	0	113.9	H435	H435-G439 WeakPolarHBondContact O-CA 3.5Å; H435-G439 PolarHBondContact O-N 3.31Å
440	M	90.9	Very high	90.8	Very high	111 Å²	111	48.9 Å²	48.9	55%	0.547	27%	0.272	S	S	.	.			trans	-73.8	141	-177.8	-70.2	-68.7	-73.8	0	0	111.1	I434 H435 T438 Y442	I434-M440 WeakPolarHBondContact CA-O 3Å; H435-M440 PolarHBondContact N-O 3.47Å; T438-M440 PolarHBondContact O-N 3.44Å; T438-M440 WeakPolarHBondContact OG1-CB 3.33Å; T438-M440 PolarHBondContact OG1-N 2.72Å; M440-Y442 HydrophobicContact CB-CD2 4.45Å; M440-Y442 HydrophobicContact CB-CE2 3.54Å; M440-Y442 VanDerWaalsContact O-CD2 3.3Å; M440-Y442 WeakPolarHBondContact O-CD2 3.41Å; M440-Y442 WeakPolarHBondContact O-CE2 3.28Å
441	E	93.9	Very high	90.1	Very high	68 Å²	68	54.4 Å²	54.4	32%	0.318	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	140	-179.8	-56.7	-174.3	120.3	0	0	111.9	R432 I434 L489 K491	R432-E441 IonicContact CZ-OE1 3.55Å; R432-E441 IonicContact NH1-OE1 3.82Å; R432-E441 PolarHBondContact NH1-OE1 2.72Å; I434-E441 HydrophobicContact CG1-CG 4.44Å; E441-L489 HydrophobicContact CB-CD2 3.92Å; E441-K491 WeakPolarHBondContact OE2-CE 3.42Å; E441-K491 IonicContact OE2-NZ 3.4Å; E441-K491 PolarHBondContact OE2-NZ 2.73Å
442	Y	95.2	Very high	89.3	Confident	41 Å²	41	54 Å²	54	16%	0.161	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	167.7	-178.7	-62.9	-82.5	0	0	0	110.6	Y416 C433 H435 M440 K474 V486 T487	Y416-Y442 HydrophobicContact CD1-CD2 4.38Å; Y416-Y442 AromaticContact CE1-CD2 3.62Å; Y416-Y442 HydrophobicContact CE1-CD2 3.62Å; Y416-Y442 HydrophobicContact CE1-CE2 4.07Å; Y416-Y442 HydrophobicContact CE1-CG 4.2Å; C433-Y442 PolarHBondContact N-O 3.04Å; C433-Y442 PolarHBondContact O-N 3.37Å; H435-Y442 HydrophobicContact CB-CD2 4.12Å; H435-Y442 HydrophobicContact CB-CE2 3.69Å; M440-Y442 HydrophobicContact CB-CD2 4.45Å; M440-Y442 HydrophobicContact CB-CE2 3.54Å; M440-Y442 VanDerWaalsContact O-CD2 3.3Å; M440-Y442 WeakPolarHBondContact O-CD2 3.41Å; M440-Y442 WeakPolarHBondContact O-CE2 3.28Å; Y442-K474 HydrophobicContact CD1-CG 4.15Å; Y442-K474 HydrophobicContact CE1-CG 3.96Å; Y442-V486 HydrophobicContact CD1-CG1 4.33Å; Y442-V486 HydrophobicContact CG-CG1 4.02Å; Y442-T487 WeakPolarHBondContact CB-O 3.26Å
443	A	94.3	Very high	88.4	Confident	12 Å²	12	56.9 Å²	56.9	10%	0.099	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	144.1	164.7	0	0	0	0	0	109.1	I422 K431 V486 T487 L489	I422-A443 HydrophobicContact CD1-CB 3.69Å; K431-A443 CarbonylContact O-C 3.47Å; K431-A443 WeakPolarHBondContact O-CA 3.43Å; A443-V486 CarbonylContact O-C 3.43Å; A443-V486 WeakPolarHBondContact O-CA 3.21Å; A443-T487 PolarHBondContact N-O 3.46Å; A443-T487 PolarHBondContact O-N 3.42Å; A443-L489 HydrophobicContact CB-CD1 4.13Å
444	V	94.8	Very high	87.6	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	123.3	170.4	62.2	0	0	0	0	109.6	Y412 C430 K431 C433 I446 F484 L485 V486	Y412-V444 HydrophobicContact CE2-CB 4.28Å; Y412-V444 HydrophobicContact CE2-CG2 3.77Å; Y412-V444 WeakPolarHBondContact OH-CG1 3.16Å; C430-V444 CarbonylContact C-O 3.49Å; C430-V444 VanDerWaalsContact CA-O 3.29Å; C430-V444 WeakPolarHBondContact CA-O 3.25Å; K431-V444 HydrophobicContact CB-CG1 3.93Å; K431-V444 PolarHBondContact N-O 2.98Å; K431-V444 PolarHBondContact O-N 3.45Å; C433-V444 HydrophobicContact CB-CG1 4.06Å; V444-I446 HydrophobicContact CG1-CG1 4.36Å; V444-I446 HydrophobicContact CG2-CG1 4.14Å; V444-F484 HydrophobicContact CG2-CB 3.85Å; V444-F484 HydrophobicContact CG2-CD1 4.11Å; V444-L485 CarbonylContact C-O 3.54Å; V444-L485 VanDerWaalsContact CA-O 3.31Å; V444-L485 WeakPolarHBondContact CA-O 3.29Å; V444-V486 HydrophobicContact CB-CG2 4.48Å; V444-V486 HydrophobicContact CG2-CG2 4.2Å
445	K	92.6	Very high	86.6	Confident	18 Å²	18	58 Å²	58	8%	0.078	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	115.5	169.8	-172.2	-179.1	-170	-170.6	0	108.6	S428 I447 E457 L485 D555	S428-K445 WeakPolarHBondContact OG-CE 3.31Å; K445-I447 HydrophobicContact CD-CD1 4.16Å; K445-I447 HydrophobicContact CD-CG1 4.38Å; K445-I447 HydrophobicContact CG-CD1 4.34Å; K445-I447 HydrophobicContact CG-CG1 4.05Å; K445-E457 VanDerWaalsContact NZ-CD 3.28Å; K445-E457 IonicContact NZ-OE1 3.56Å; K445-E457 PolarHBondContact NZ-OE1 3.49Å; K445-E457 IonicContact NZ-OE2 2.7Å; K445-E457 PolarHBondContact NZ-OE2 2.93Å; K445-E457 VanDerWaalsContact NZ-OE2 3.1Å; K445-L485 HydrophobicContact CB-CB 4.25Å; K445-L485 PolarHBondContact N-O 3.16Å; K445-L485 PolarHBondContact O-N 3.15Å; K445-D555 IonicContact NZ-OD1 2.64Å; K445-D555 PolarHBondContact NZ-OD1 3.15Å
446	I	92.3	Very high	85.8	Confident	30 Å²	30	59.8 Å²	59.8	15%	0.154	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	110.9	-178.7	-50.9	176.1	0	0	0	108	I418 S428 I429 K431 V444 F484	I418-I446 HydrophobicContact CD1-CD1 4.17Å; S428-I446 CarbonylContact C-O 3.56Å; S428-I446 WeakPolarHBondContact CA-O 3.32Å; S428-I446 WeakPolarHBondContact CB-O 3.46Å; I429-I446 PolarHBondContact N-O 3.29Å; I429-I446 PolarHBondContact O-N 3.42Å; K431-I446 HydrophobicContact CD-CD1 4.05Å; K431-I446 HydrophobicContact CG-CD1 4.4Å; V444-I446 HydrophobicContact CG1-CG1 4.36Å; V444-I446 HydrophobicContact CG2-CG1 4.14Å; I446-F484 HydrophobicContact CD1-CD1 4.2Å; I446-F484 HydrophobicContact CD1-CE1 4.01Å; I446-F484 HydrophobicContact CG1-CD1 3.8Å; I446-F484 HydrophobicContact CG1-CE1 4.02Å; I446-F484 HydrophobicContact CG2-CD1 4.21Å; I446-F484 HydrophobicContact CG2-CE1 3.92Å; I446-F484 HydrophobicContact CG2-CZ 4.31Å
447	I	88.3	Confident	85.5	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.9	-175.6	-54.3	175.3	0	0	0	109	K445 K452 P454 S482 V483 L485	K445-I447 HydrophobicContact CD-CD1 4.16Å; K445-I447 HydrophobicContact CD-CG1 4.38Å; K445-I447 HydrophobicContact CG-CD1 4.34Å; K445-I447 HydrophobicContact CG-CG1 4.05Å; I447-K452 HydrophobicContact CG2-CB 4.34Å; I447-P454 HydrophobicContact CB-CB 4.43Å; I447-P454 HydrophobicContact CD1-CB 3.59Å; I447-P454 HydrophobicContact CG2-CB 4.22Å; I447-P454 HydrophobicContact CG2-CG 4.47Å; I447-S482 CarbonylContact O-C 3.56Å; I447-S482 WeakPolarHBondContact O-CA 3.24Å; I447-S482 WeakPolarHBondContact O-CB 3.45Å; I447-S482 PolarHBondContact O-OG 3.45Å; I447-V483 PolarHBondContact N-O 3.47Å; I447-V483 PolarHBondContact O-N 2.95Å; I447-L485 HydrophobicContact CD1-CD1 3.7Å; I447-L485 HydrophobicContact CD1-CG 4.23Å
448	N	85.4	Confident	85.1	Confident	45 Å²	45	50.2 Å²	50.2	24%	0.241	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	116.7	174.9	-176.7	-32.7	0	0	0	110.3	A450 K451 K452	N448-A450 PolarHBondContact O-N 3.33Å; N448-A450 VanDerWaalsContact OD1-CB 3.31Å; N448-A450 WeakPolarHBondContact OD1-CB 3.46Å; N448-A450 PolarHBondContact OD1-N 2.9Å; N448-K451 HydrophobicContact CB-CB 4.43Å; N448-K451 HydrophobicContact CB-CD 4.42Å; N448-K451 HydrophobicContact CB-CG 4.32Å; N448-K451 PolarHBondContact O-N 3.02Å; N448-K452 PolarHBondContact O-N 2.9Å
449	K	81.1	Confident	84.4	Confident	73 Å²	73	48.3 Å²	48.3	32%	0.317	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-28.3	-175.9	-65.6	176	73.2	170.3	0	113.2	K451 K452 D478 R481 V483	K449-K451 PolarHBondContact O-N 2.81Å; K449-K452 WeakPolarHBondContact CA-O 3.46Å; K449-D478 VanDerWaalsContact NZ-CG 3.27Å; K449-D478 IonicContact NZ-OD1 3.43Å; K449-D478 PolarHBondContact NZ-OD1 2.9Å; K449-D478 IonicContact NZ-OD2 3.58Å; K449-D478 PolarHBondContact NZ-OD2 3.32Å; K449-R481 WeakPolarHBondContact CB-O 3.16Å; K449-R481 PolarHBondContact N-O 3.21Å; K449-V483 HydrophobicContact CD-CG2 3.76Å; K449-V483 HydrophobicContact CG-CG2 3.75Å
450	A	80	Confident	84	Confident	97 Å²	97	46.2 Å²	46.2	80%	0.802	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-22	176.4	0	0	0	0	0	112.7	N448	N448-A450 PolarHBondContact O-N 3.33Å; N448-A450 VanDerWaalsContact OD1-CB 3.31Å; N448-A450 WeakPolarHBondContact OD1-CB 3.46Å; N448-A450 PolarHBondContact OD1-N 2.9Å
451	K	75.9	Confident	83.6	Confident	152 Å²	152	41.1 Å²	41.1	66%	0.661	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-35.2	178.7	-65.4	-172.4	177.2	-174.5	0	112.6	N448 K449	N448-K451 HydrophobicContact CB-CB 4.43Å; N448-K451 HydrophobicContact CB-CD 4.42Å; N448-K451 HydrophobicContact CB-CG 4.32Å; N448-K451 PolarHBondContact O-N 3.02Å; K449-K451 PolarHBondContact O-N 2.81Å
452	K	77.3	Confident	82.8	Confident	40 Å²	40	39.5 Å²	39.5	17%	0.174	21%	0.208	C	C	.	.			trans	-155.6	134.5	-176.8	-174.5	172.9	-175.6	154.5	0	111.1	Y427 I447 N448 K449 P454 G557	Y427-K452 HydrophobicContact CD1-CD 4.03Å; Y427-K452 HydrophobicContact CD2-CB 4.27Å; Y427-K452 HydrophobicContact CD2-CD 3.32Å; Y427-K452 HydrophobicContact CD2-CG 4.41Å; Y427-K452 HydrophobicContact CE1-CD 4.04Å; Y427-K452 HydrophobicContact CE2-CD 3.31Å; Y427-K452 HydrophobicContact CG-CB 4.26Å; Y427-K452 HydrophobicContact CG-CD 3.69Å; Y427-K452 PolarHBondContact OH-NZ 2.82Å; I447-K452 HydrophobicContact CG2-CB 4.34Å; N448-K452 PolarHBondContact O-N 2.9Å; K449-K452 WeakPolarHBondContact CA-O 3.46Å; K452-P454 WeakPolarHBondContact O-CD 3.49Å; K452-G557 WeakPolarHBondContact CE-O 3.44Å; K452-G557 PolarHBondContact NZ-O 2.98Å
453	D	76.3	Confident	82	Confident	104 Å²	104	40.5 Å²	40.5	56%	0.556	21%	0.212	S	C	*	.			trans	-78.8	116.4	167.9	-176.6	3.3	0	0	0	109.9	T455	D453-T455 VanDerWaalsContact C-N 3.33Å; D453-T455 VanDerWaalsContact OD1-CB 3.27Å; D453-T455 WeakPolarHBondContact OD1-CB 2.94Å; D453-T455 PolarHBondContact OD1-N 2.64Å; D453-T455 PolarHBondContact OD1-OG1 3.44Å
454	P	79.1	Confident	81.5	Confident	4 Å²	4	40.7 Å²	40.7	3%	0.026	21%	0.21	C	C	.	.			trans	-88.1	2.8	-179.4	36	-33.8	0	0	0	113.6	I447 K452 E456 E457 V458 V483	I447-P454 HydrophobicContact CB-CB 4.43Å; I447-P454 HydrophobicContact CD1-CB 3.59Å; I447-P454 HydrophobicContact CG2-CB 4.22Å; I447-P454 HydrophobicContact CG2-CG 4.47Å; K452-P454 WeakPolarHBondContact O-CD 3.49Å; P454-E456 VanDerWaalsContact C-N 3.33Å; P454-E456 PolarHBondContact O-N 3.18Å; P454-E457 PolarHBondContact O-N 2.87Å; P454-E457 VanDerWaalsContact O-N 3.12Å; P454-V458 WeakPolarHBondContact O-CG2 3.5Å; P454-V458 PolarHBondContact O-N 3.32Å; P454-V483 HydrophobicContact CG-CB 3.69Å; P454-V483 HydrophobicContact CG-CG1 3.99Å; P454-V483 HydrophobicContact CG-CG2 3.52Å
455	T	73.2	Confident	80.7	Confident	52 Å²	52	41 Å²	41	32%	0.319	21%	0.213	S	C	.	.	H	α-helix	trans	-54.3	-46.9	-173.4	-59	0	0	0	0	112.3	D453 E457 V458 E459	D453-T455 VanDerWaalsContact C-N 3.33Å; D453-T455 VanDerWaalsContact OD1-CB 3.27Å; D453-T455 WeakPolarHBondContact OD1-CB 2.94Å; D453-T455 PolarHBondContact OD1-N 2.64Å; D453-T455 PolarHBondContact OD1-OG1 3.44Å; T455-E457 PolarHBondContact O-N 3.29Å; T455-V458 PolarHBondContact O-N 2.95Å; T455-E459 HydrophobicContact CG2-CG 4.46Å; T455-E459 WeakPolarHBondContact CG2-OE1 3.41Å; T455-E459 WeakPolarHBondContact O-CG 3.01Å; T455-E459 PolarHBondContact O-N 2.77Å
456	E	74.4	Confident	80	Confident	68 Å²	68	48.9 Å²	48.9	32%	0.318	25%	0.25	S	S	.	.	H	α-helix	trans	-63.2	-42.2	179.2	-168.5	84.2	-165.4	0	0	112	P454 V458 E459 I460 Q561	P454-E456 VanDerWaalsContact C-N 3.33Å; P454-E456 PolarHBondContact O-N 3.18Å; E456-V458 PolarHBondContact O-N 2.91Å; E456-E459 PolarHBondContact O-N 3.06Å; E456-I460 HydrophobicContact CG-CD1 4.06Å; E456-I460 VanDerWaalsContact O-CG1 3.31Å; E456-I460 WeakPolarHBondContact O-CG1 3.49Å; E456-I460 PolarHBondContact O-N 3.27Å; E456-Q561 VanDerWaalsContact OE1-CB 3.29Å; E456-Q561 WeakPolarHBondContact OE1-CB 3.48Å; E456-Q561 PolarHBondContact OE1-N 3.27Å
457	E	84.3	Confident	79.7	Confident	6 Å²	6	48.8 Å²	48.8	3%	0.028	25%	0.249	C	C	.	.	H	α-helix	trans	-62.4	-43.7	177.9	178.3	173	-168.9	0	0	110.9	K445 P454 T455 L461 L485 F556 G557	K445-E457 VanDerWaalsContact NZ-CD 3.28Å; K445-E457 IonicContact NZ-OE1 3.56Å; K445-E457 PolarHBondContact NZ-OE1 3.49Å; K445-E457 IonicContact NZ-OE2 2.7Å; K445-E457 PolarHBondContact NZ-OE2 2.93Å; K445-E457 VanDerWaalsContact NZ-OE2 3.1Å; P454-E457 PolarHBondContact O-N 2.87Å; P454-E457 VanDerWaalsContact O-N 3.12Å; T455-E457 PolarHBondContact O-N 3.29Å; E457-L461 HydrophobicContact CG-CD1 4.05Å; E457-L461 WeakPolarHBondContact O-CB 3.24Å; E457-L461 VanDerWaalsContact O-CG 3.29Å; E457-L461 WeakPolarHBondContact O-CG 3.46Å; E457-L461 PolarHBondContact O-N 3.04Å; E457-L485 HydrophobicContact CG-CD1 4.25Å; E457-F556 HydrophobicContact CG-CB 4.09Å; E457-G557 VanDerWaalsContact CD-CA 3.46Å; E457-G557 PolarHBondContact OE1-N 3.18Å; E457-G557 WeakPolarHBondContact OE2-CA 3.29Å
458	V	79.9	Confident	79.8	Confident	10 Å²	10	52.7 Å²	52.7	6%	0.061	27%	0.274	C	S	.	.	H	α-helix	trans	-61.1	-48.5	175.7	172.9	0	0	0	0	111.1	P454 T455 E456 I460 L461 L462 L473 V476 L485	P454-V458 WeakPolarHBondContact O-CG2 3.5Å; P454-V458 PolarHBondContact O-N 3.32Å; T455-V458 PolarHBondContact O-N 2.95Å; E456-V458 PolarHBondContact O-N 2.91Å; V458-I460 PolarHBondContact O-N 3.14Å; V458-L461 PolarHBondContact O-N 3.5Å; V458-L462 HydrophobicContact CG1-CD1 3.74Å; V458-L462 HydrophobicContact CG1-CG 4.21Å; V458-L462 WeakPolarHBondContact O-CB 3.42Å; V458-L462 WeakPolarHBondContact O-CG 3.49Å; V458-L462 PolarHBondContact O-N 3.43Å; V458-L473 HydrophobicContact CG1-CD2 4.38Å; V458-V476 HydrophobicContact CG1-CG2 4.08Å; V458-V476 HydrophobicContact CG2-CG1 4.44Å; V458-L485 HydrophobicContact CG2-CD1 4.3Å; V458-L485 HydrophobicContact CG2-CD2 3.4Å; V458-L485 HydrophobicContact CG2-CG 4.49Å
459	E	74.9	Confident	80.3	Confident	35 Å²	35	51.4 Å²	51.4	16%	0.164	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-43.8	-177.9	-74.3	-178.4	-171	0	0	111.6	K160 A346 T455 E456 R463	K160-E459 IonicContact NZ-OE1 3.94Å; A346-E459 HydrophobicContact CB-CG 4.35Å; T455-E459 HydrophobicContact CG2-CG 4.46Å; T455-E459 WeakPolarHBondContact CG2-OE1 3.41Å; T455-E459 WeakPolarHBondContact O-CG 3.01Å; T455-E459 PolarHBondContact O-N 2.77Å; E456-E459 PolarHBondContact O-N 3.06Å; E459-R463 VanDerWaalsContact O-CB 3.27Å; E459-R463 WeakPolarHBondContact O-CB 3.3Å; E459-R463 PolarHBondContact O-N 3.29Å
460	I	79.6	Confident	80.9	Confident	4 Å²	4	48 Å²	48	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-46.9	176.2	-69.6	170.4	0	0	0	110.5	E456 V458 R463 Y464 V529 F556 A559	E456-I460 HydrophobicContact CG-CD1 4.06Å; E456-I460 VanDerWaalsContact O-CG1 3.31Å; E456-I460 WeakPolarHBondContact O-CG1 3.49Å; E456-I460 PolarHBondContact O-N 3.27Å; V458-I460 PolarHBondContact O-N 3.14Å; I460-R463 PolarHBondContact O-N 3.05Å; I460-Y464 HydrophobicContact CG2-CD2 3.98Å; I460-Y464 WeakPolarHBondContact O-CB 3.32Å; I460-Y464 VanDerWaalsContact O-CD2 3.3Å; I460-Y464 WeakPolarHBondContact O-CD2 3.24Å; I460-Y464 PolarHBondContact O-N 3.2Å; I460-V529 HydrophobicContact CD1-CG1 4.25Å; I460-V529 HydrophobicContact CG2-CG1 4.26Å; I460-F556 HydrophobicContact CG2-CD1 3.55Å; I460-F556 HydrophobicContact CG2-CE1 4.07Å; I460-F556 HydrophobicContact CG2-CG 4.26Å; I460-A559 HydrophobicContact CD1-CB 3.74Å
461	L	83.2	Confident	81.5	Confident	5 Å²	5	43.8 Å²	43.8	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-67.3	-38.4	-179	-72.6	175.4	0	0	0	112.8	E457 V458 R463 G465 I470 I471 L473 F556	E457-L461 HydrophobicContact CG-CD1 4.05Å; E457-L461 WeakPolarHBondContact O-CB 3.24Å; E457-L461 VanDerWaalsContact O-CG 3.29Å; E457-L461 WeakPolarHBondContact O-CG 3.46Å; E457-L461 PolarHBondContact O-N 3.04Å; V458-L461 PolarHBondContact O-N 3.5Å; L461-R463 VanDerWaalsContact C-N 3.32Å; L461-G465 WeakPolarHBondContact O-CA 3.41Å; L461-G465 PolarHBondContact O-N 3.13Å; L461-I470 HydrophobicContact CD2-CG2 4.25Å; L461-I471 HydrophobicContact CD2-CG2 3.67Å; L461-L473 HydrophobicContact CB-CB 4Å; L461-L473 HydrophobicContact CB-CD2 3.94Å; L461-F556 HydrophobicContact CD2-CB 4.33Å; L461-F556 HydrophobicContact CD2-CD2 3.59Å; L461-F556 HydrophobicContact CD2-CE2 4.11Å; L461-F556 HydrophobicContact CD2-CG 4.04Å; L461-F556 HydrophobicContact CG-CB 4.36Å; L461-F556 HydrophobicContact CG-CD2 4.49Å
462	L	77.3	Confident	82.1	Confident	33 Å²	33	38.6 Å²	38.6	17%	0.173	20%	0.198	C	C	.	.	H	α-helix	trans	-65.8	-36.3	174.5	-72.8	176.1	0	0	0	111.9	A346 F354 V458 L473	A346-L462 HydrophobicContact CB-CB 4.02Å; A346-L462 HydrophobicContact CB-CD1 3.87Å; F354-L462 HydrophobicContact CE2-CD1 3.93Å; F354-L462 HydrophobicContact CZ-CD1 4.23Å; V458-L462 HydrophobicContact CG1-CD1 3.74Å; V458-L462 HydrophobicContact CG1-CG 4.21Å; V458-L462 WeakPolarHBondContact O-CB 3.42Å; V458-L462 WeakPolarHBondContact O-CG 3.49Å; V458-L462 PolarHBondContact O-N 3.43Å; L462-L473 HydrophobicContact CD2-CD2 3.93Å; L462-L473 HydrophobicContact CG-CD2 3.97Å
463	R	78.8	Confident	82.5	Confident	63 Å²	63	37.5 Å²	37.5	24%	0.238	19%	0.194	C	C	.	.	H	α-helix	trans	-80.4	-40.3	-176.9	-171	174.2	-71.3	162.7	1.5	113.1	F343 K344 E459 I460 L461	F343-R463 VanDerWaalsContact CE2-NH2 3.34Å; K344-R463 PolarHBondContact O-NH2 2.94Å; E459-R463 VanDerWaalsContact O-CB 3.27Å; E459-R463 WeakPolarHBondContact O-CB 3.3Å; E459-R463 PolarHBondContact O-N 3.29Å; I460-R463 PolarHBondContact O-N 3.05Å; L461-R463 VanDerWaalsContact C-N 3.32Å
464	Y	82.8	Confident	83	Confident	16 Å²	16	37.7 Å²	37.7	6%	0.063	19%	0.189	C	C	.	.	H	α-helix	trans	-114.7	-8.2	-170.4	-56.4	-69.6	0	0	0	114.3	I460 Q466 H467 Y523 N527 V529 Q561	I460-Y464 HydrophobicContact CG2-CD2 3.98Å; I460-Y464 WeakPolarHBondContact O-CB 3.32Å; I460-Y464 VanDerWaalsContact O-CD2 3.3Å; I460-Y464 WeakPolarHBondContact O-CD2 3.24Å; I460-Y464 PolarHBondContact O-N 3.2Å; Y464-Q466 PolarHBondContact O-N 3.25Å; Y464-H467 WeakPolarHBondContact O-CB 3.41Å; Y464-H467 PolarHBondContact O-N 2.75Å; Y464-Y523 AromaticContact CD1-CE1 3.91Å; Y464-Y523 HydrophobicContact CD1-CE1 3.91Å; Y464-Y523 HydrophobicContact CG-CE1 4.49Å; Y464-N527 HydrophobicContact CD1-CB 4.41Å; Y464-N527 HydrophobicContact CE1-CB 3.57Å; Y464-N527 PolarHBondContact OH-O 3.25Å; Y464-V529 HydrophobicContact CD2-CG2 3.96Å; Y464-V529 HydrophobicContact CE2-CG2 3.43Å; Y464-V529 VanDerWaalsContact CE2-CG2 3.43Å; Y464-Q561 VanDerWaalsContact CE2-OE1 3.28Å; Y464-Q561 PolarHBondContact OH-OE1 2.99Å
465	G	77.8	Confident	83.2	Confident	5 Å²	5	38.5 Å²	38.5	5%	0.052	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-3.4	-178.8	0	0	0	0	0	115.5	L461 H467	L461-G465 WeakPolarHBondContact O-CA 3.41Å; L461-G465 PolarHBondContact O-N 3.13Å; G465-H467 VanDerWaalsContact C-N 3.3Å
466	Q	77.7	Confident	83.8	Confident	184 Å²	184	37.7 Å²	37.7	86%	0.86	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-16.3	169.6	-64	-172.5	0.5	0	0	112.8	Y464	Y464-Q466 PolarHBondContact O-N 3.25Å
467	H	87.1	Confident	84.3	Confident	29 Å²	29	35.6 Å²	35.6	13%	0.134	18%	0.178	C	C	.	.	S	Bend	trans	-64.8	131.9	175.1	-175.8	-84.2	0	0	0	109.5	Y464 G465 N469 I470 Y523	Y464-H467 WeakPolarHBondContact O-CB 3.41Å; Y464-H467 PolarHBondContact O-N 2.75Å; G465-H467 VanDerWaalsContact C-N 3.3Å; H467-N469 PolarHBondContact ND1-N 3.24Å; H467-N469 VanDerWaalsContact ND1-N 3.13Å; H467-N469 PolarHBondContact O-N 3.17Å; H467-I470 HydrophobicContact CB-CB 4.28Å; H467-I470 HydrophobicContact CB-CD1 3.87Å; H467-I470 HydrophobicContact CB-CG1 4.01Å; H467-I470 PolarHBondContact O-N 2.97Å; H467-Y523 HydrophobicContact CB-CD1 4.29Å; H467-Y523 HydrophobicContact CB-CE1 3.97Å; H467-Y523 AromaticContact CD2-CD1 3.75Å; H467-Y523 AromaticContact CD2-CG 3.79Å
468	P	90.6	Very high	84.1	Confident	82 Å²	82	39.5 Å²	39.5	53%	0.532	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.9	-170.9	22.8	-35	0	0	0	113.2	R552	P468-R552 WeakPolarHBondContact O-CD 3.4Å; P468-R552 PolarHBondContact O-NE 3.24Å; P468-R552 PolarHBondContact O-NH1 3.45Å; P468-R552 PolarHBondContact O-NH2 3.21Å
469	N	94.6	Very high	84.2	Confident	18 Å²	18	43.8 Å²	43.8	10%	0.096	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	14.1	-179.3	-58.7	107.4	0	0	0	114.5	H467 T516 T520 E549 I551 R552 I553	H467-N469 PolarHBondContact ND1-N 3.24Å; H467-N469 VanDerWaalsContact ND1-N 3.13Å; H467-N469 PolarHBondContact O-N 3.17Å; N469-T516 HydrophobicContact CB-CG2 4.44Å; N469-T516 WeakPolarHBondContact ND2-CG2 3.38Å; N469-T520 HydrophobicContact CB-CG2 4.09Å; N469-T520 WeakPolarHBondContact CB-OG1 3.47Å; N469-E549 PolarHBondContact ND2-O 3.24Å; N469-I551 WeakPolarHBondContact CA-O 3.43Å; N469-I551 PolarHBondContact ND2-O 3.43Å; N469-R552 WeakPolarHBondContact O-CA 3.14Å; N469-I553 PolarHBondContact O-N 3.16Å
470	I	94.1	Very high	84.2	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-108.7	141.1	171.8	-64.4	-179	0	0	0	107.8	L461 H467 T472 T520 Y523 L524 F556	L461-I470 HydrophobicContact CD2-CG2 4.25Å; H467-I470 HydrophobicContact CB-CB 4.28Å; H467-I470 HydrophobicContact CB-CD1 3.87Å; H467-I470 HydrophobicContact CB-CG1 4.01Å; H467-I470 PolarHBondContact O-N 2.97Å; I470-T472 PolarHBondContact O-N 3.16Å; I470-T520 HydrophobicContact CD1-CG2 4.21Å; I470-T520 HydrophobicContact CG1-CG2 3.65Å; I470-Y523 HydrophobicContact CD1-CD1 4.34Å; I470-Y523 HydrophobicContact CD1-CE1 4.38Å; I470-L524 HydrophobicContact CD1-CD1 4.45Å; I470-L524 HydrophobicContact CD1-CD2 3.72Å; I470-L524 HydrophobicContact CD1-CG 4.15Å; I470-F556 HydrophobicContact CD1-CZ 4.22Å; I470-F556 HydrophobicContact CG1-CZ 4.16Å; I470-F556 HydrophobicContact CG2-CE2 3.71Å; I470-F556 HydrophobicContact CG2-CZ 3.73Å
471	I	92.7	Very high	84.3	Confident	9 Å²	9	53.6 Å²	53.6	5%	0.046	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-60.2	134.2	178	-166.9	163	0	0	0	111.6	L461 T487 E488 M490 I553 C554	L461-I471 HydrophobicContact CD2-CG2 3.67Å; I471-T487 HydrophobicContact CD1-CG2 4.14Å; I471-T487 HydrophobicContact CG1-CG2 4.21Å; I471-E488 HydrophobicContact CG1-CG 3.95Å; I471-M490 HydrophobicContact CD1-CG 4.48Å; I471-I553 WeakPolarHBondContact CB-O 3.43Å; I471-I553 PolarHBondContact N-O 3.45Å; I471-C554 HydrophobicContact CD1-CB 4.01Å; I471-C554 WeakPolarHBondContact CG2-O 3.31Å
472	T	88	Confident	84.4	Confident	42 Å²	42	54.2 Å²	54.2	26%	0.258	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-83.7	120.5	179.3	-49.1	0	0	0	0	111	I470 K474 T487 E488	I470-T472 PolarHBondContact O-N 3.16Å; T472-K474 HydrophobicContact CG2-CD 4.2Å; T472-T487 VanDerWaalsContact O-CA 3.29Å; T472-T487 WeakPolarHBondContact O-CA 3.22Å; T472-T487 WeakPolarHBondContact O-CB 3.44Å; T472-E488 VanDerWaalsContact CB-OE1 3.3Å; T472-E488 WeakPolarHBondContact CB-OE1 3.45Å; T472-E488 PolarHBondContact N-OE1 3.22Å; T472-E488 PolarHBondContact O-N 3.36Å; T472-E488 PolarHBondContact OG1-OE1 2.94Å
473	L	86.8	Confident	84.8	Confident	18 Å²	18	53 Å²	53	9%	0.094	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	123.5	167	-174.2	65.5	0	0	0	109.8	V458 L461 L462 V476 L485 T487	V458-L473 HydrophobicContact CG1-CD2 4.38Å; L461-L473 HydrophobicContact CB-CB 4Å; L461-L473 HydrophobicContact CB-CD2 3.94Å; L462-L473 HydrophobicContact CD2-CD2 3.93Å; L462-L473 HydrophobicContact CG-CD2 3.97Å; L473-V476 HydrophobicContact CD1-CG2 4.12Å; L473-V476 HydrophobicContact CD2-CG2 3.61Å; L473-V476 HydrophobicContact CG-CG2 4.05Å; L473-L485 HydrophobicContact CD1-CB 3.83Å; L473-L485 HydrophobicContact CD1-CD2 4.41Å; L473-T487 HydrophobicContact CD1-CG2 4.01Å
474	K	86.1	Confident	85.4	Confident	107 Å²	107	51.1 Å²	51.1	47%	0.465	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-49.6	-177.4	-65.3	-63.6	-177.2	-172.9	0	112.2	Y442 T472 V486	Y442-K474 HydrophobicContact CD1-CG 4.15Å; Y442-K474 HydrophobicContact CE1-CG 3.96Å; T472-K474 HydrophobicContact CG2-CD 4.2Å; K474-V486 WeakPolarHBondContact CA-O 3.46Å; K474-V486 WeakPolarHBondContact CB-O 3.29Å; K474-V486 PolarHBondContact N-O 3.21Å
475	D	83.8	Confident	85.8	Confident	21 Å²	21	50.4 Å²	50.4	11%	0.112	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	155.3	179.3	-72.2	-49.8	0	0	0	111	R349 Y416 Y477 V486	R349-D475 IonicContact CZ-OD1 2.69Å; R349-D475 VanDerWaalsContact CZ-OD1 3.3Å; R349-D475 IonicContact NE-OD1 3.05Å; R349-D475 PolarHBondContact NE-OD1 3.42Å; R349-D475 VanDerWaalsContact NH2-CG 3.34Å; R349-D475 IonicContact NH2-OD1 3.04Å; R349-D475 PolarHBondContact NH2-OD1 2.93Å; R349-D475 IonicContact NH2-OD2 3.18Å; R349-D475 PolarHBondContact NH2-OD2 3.42Å; Y416-D475 HydrophobicContact CE2-CB 4.5Å; Y416-D475 WeakPolarHBondContact CE2-OD2 3.21Å; Y416-D475 PolarHBondContact OH-OD2 2.65Å; D475-Y477 HydrophobicContact CB-CD2 4.32Å; D475-Y477 HydrophobicContact CB-CE2 3.54Å; D475-V486 HydrophobicContact CB-CB 4.1Å; D475-V486 HydrophobicContact CB-CG2 4.26Å; D475-V486 PolarHBondContact N-O 2.69Å; D475-V486 PolarHBondContact O-N 3.04Å
476	V	85.1	Confident	86.5	Confident	36 Å²	36	50.2 Å²	50.2	22%	0.218	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	131.7	172.5	-178.4	0	0	0	0	108.9	F354 V458 L473 V483 F484 L485	F354-V476 HydrophobicContact CE1-CG1 4.41Å; F354-V476 HydrophobicContact CZ-CB 4.49Å; V458-V476 HydrophobicContact CG1-CG2 4.08Å; V458-V476 HydrophobicContact CG2-CG1 4.44Å; L473-V476 HydrophobicContact CD1-CG2 4.12Å; L473-V476 HydrophobicContact CD2-CG2 3.61Å; L473-V476 HydrophobicContact CG-CG2 4.05Å; V476-V483 HydrophobicContact CG1-CG1 3.91Å; V476-F484 WeakPolarHBondContact CA-O 3.41Å; V476-L485 HydrophobicContact CB-CD2 4.48Å; V476-L485 HydrophobicContact CG1-CD2 3.93Å; V476-L485 HydrophobicContact CG2-CD2 3.97Å
477	Y	84.6	Confident	87.2	Confident	23 Å²	23	42.1 Å²	42.1	9%	0.09	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	141	171.8	-57.2	-97.3	0	0	0	109.9	Y412 Y416 D475 V483 F484 V486	Y412-Y477 AromaticContact CD2-CD2 3.74Å; Y412-Y477 HydrophobicContact CD2-CD2 3.74Å; Y412-Y477 HydrophobicContact CD2-CE2 4.15Å; Y412-Y477 HydrophobicContact CD2-CG 4.27Å; Y412-Y477 HydrophobicContact CG-CD2 4.45Å; Y416-Y477 AromaticContact CD2-CE2 3.98Å; Y416-Y477 HydrophobicContact CD2-CE2 3.98Å; Y416-Y477 AromaticContact CE2-CE2 3.74Å; Y416-Y477 HydrophobicContact CE2-CE2 3.74Å; Y416-Y477 AromaticContact CE2-CZ 4Å; D475-Y477 HydrophobicContact CB-CD2 4.32Å; D475-Y477 HydrophobicContact CB-CE2 3.54Å; Y477-V483 CarbonylContact O-C 3.56Å; Y477-V483 WeakPolarHBondContact O-CA 3.41Å; Y477-F484 PolarHBondContact N-O 2.64Å; Y477-F484 PolarHBondContact O-N 2.87Å; Y477-V486 HydrophobicContact CD2-CG2 4.31Å; Y477-V486 HydrophobicContact CE2-CG2 4.14Å
478	D	81.9	Confident	87.4	Confident	88 Å²	88	42.3 Å²	42.3	47%	0.471	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	117.6	175.6	-174.1	-12.2	0	0	0	108.2	K449 G480 V483	K449-D478 VanDerWaalsContact NZ-CG 3.27Å; K449-D478 IonicContact NZ-OD1 3.43Å; K449-D478 PolarHBondContact NZ-OD1 2.9Å; K449-D478 IonicContact NZ-OD2 3.58Å; K449-D478 PolarHBondContact NZ-OD2 3.32Å; D478-G480 WeakPolarHBondContact OD1-CA 3.31Å; D478-G480 PolarHBondContact OD1-N 3.26Å; D478-V483 HydrophobicContact CB-CG2 4.41Å
479	D	80.5	Confident	87.4	Confident	101 Å²	101	39.8 Å²	39.8	54%	0.54	21%	0.208	S	C	.	.			trans	-97.6	6.6	177.7	72.4	8.5	0	0	0	112.9	R481 S482 F484	D479-R481 VanDerWaalsContact C-N 3.33Å; D479-R481 PolarHBondContact O-N 3.16Å; D479-R481 WeakPolarHBondContact OD1-CA 3.34Å; D479-R481 PolarHBondContact OD1-N 3.35Å; D479-S482 PolarHBondContact N-O 3.27Å; D479-S482 PolarHBondContact OD1-N 3.39Å; D479-F484 HydrophobicContact CB-CE2 4.41Å; D479-F484 WeakPolarHBondContact OD2-CE2 3.41Å
480	G	75	Confident	87.3	Confident	56 Å²	56	40 Å²	40	58%	0.577	21%	0.209	S	C	*	.	S	Bend	trans	91.7	-27.9	-175.8	0	0	0	0	0	114	D478	D478-G480 WeakPolarHBondContact OD1-CA 3.31Å; D478-G480 PolarHBondContact OD1-N 3.26Å
481	R	81.6	Confident	87.1	Confident	189 Å²	189	46 Å²	46	71%	0.713	23%	0.234	S	C	*	.	S	Bend	trans	-104.1	-39.2	179	-174.7	179.2	-174.6	-174.4	1.9	112.2	K449 D479	K449-R481 WeakPolarHBondContact CB-O 3.16Å; K449-R481 PolarHBondContact N-O 3.21Å; D479-R481 VanDerWaalsContact C-N 3.33Å; D479-R481 PolarHBondContact O-N 3.16Å; D479-R481 WeakPolarHBondContact OD1-CA 3.34Å; D479-R481 PolarHBondContact OD1-N 3.35Å
482	S	85.4	Confident	86.8	Confident	18 Å²	18	46.1 Å²	46.1	13%	0.126	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	147.3	-175.8	-81.6	0	0	0	0	111	I447 D479	I447-S482 CarbonylContact O-C 3.56Å; I447-S482 WeakPolarHBondContact O-CA 3.24Å; I447-S482 WeakPolarHBondContact O-CB 3.45Å; I447-S482 PolarHBondContact O-OG 3.45Å; D479-S482 PolarHBondContact N-O 3.27Å; D479-S482 PolarHBondContact OD1-N 3.39Å
483	V	86.4	Confident	86.8	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.042	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	133.4	171.4	-179	0	0	0	0	108.7	I447 K449 P454 V476 Y477 D478 L485	I447-V483 PolarHBondContact N-O 3.47Å; I447-V483 PolarHBondContact O-N 2.95Å; K449-V483 HydrophobicContact CD-CG2 3.76Å; K449-V483 HydrophobicContact CG-CG2 3.75Å; P454-V483 HydrophobicContact CG-CB 3.69Å; P454-V483 HydrophobicContact CG-CG1 3.99Å; P454-V483 HydrophobicContact CG-CG2 3.52Å; V476-V483 HydrophobicContact CG1-CG1 3.91Å; Y477-V483 CarbonylContact O-C 3.56Å; Y477-V483 WeakPolarHBondContact O-CA 3.41Å; D478-V483 HydrophobicContact CB-CG2 4.41Å; V483-L485 HydrophobicContact CG1-CD2 3.68Å; V483-L485 HydrophobicContact CG1-CG 4.43Å
484	F	91	Very high	86.9	Confident	23 Å²	23	47.3 Å²	47.3	10%	0.101	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	111.1	180	-57.3	-105.1	0	0	0	108.3	Y412 V444 I446 V476 Y477 D479	Y412-F484 AromaticContact CD1-CD1 3.87Å; Y412-F484 HydrophobicContact CD1-CD1 3.87Å; Y412-F484 AromaticContact CD1-CE1 3.97Å; Y412-F484 HydrophobicContact CD1-CE1 3.97Å; Y412-F484 HydrophobicContact CD2-CB 3.89Å; Y412-F484 AromaticContact CD2-CD1 3.98Å; Y412-F484 HydrophobicContact CD2-CD1 3.98Å; Y412-F484 HydrophobicContact CD2-CG 4.05Å; Y412-F484 HydrophobicContact CE1-CD1 4.18Å; Y412-F484 HydrophobicContact CE1-CE1 4.37Å; Y412-F484 HydrophobicContact CE2-CB 4.38Å; Y412-F484 HydrophobicContact CE2-CD1 4.25Å; Y412-F484 HydrophobicContact CG-CB 4.32Å; Y412-F484 AromaticContact CG-CD1 3.79Å; Y412-F484 HydrophobicContact CG-CD1 3.79Å; Y412-F484 HydrophobicContact CG-CE1 4.25Å; Y412-F484 AromaticContact CG-CG 3.98Å; Y412-F484 HydrophobicContact CG-CG 3.98Å; V444-F484 HydrophobicContact CG2-CB 3.85Å; V444-F484 HydrophobicContact CG2-CD1 4.11Å; I446-F484 HydrophobicContact CD1-CD1 4.2Å; I446-F484 HydrophobicContact CD1-CE1 4.01Å; I446-F484 HydrophobicContact CG1-CD1 3.8Å; I446-F484 HydrophobicContact CG1-CE1 4.02Å; I446-F484 HydrophobicContact CG2-CD1 4.21Å; I446-F484 HydrophobicContact CG2-CE1 3.92Å; I446-F484 HydrophobicContact CG2-CZ 4.31Å; V476-F484 WeakPolarHBondContact CA-O 3.41Å; Y477-F484 PolarHBondContact N-O 2.64Å; Y477-F484 PolarHBondContact O-N 2.87Å; D479-F484 HydrophobicContact CB-CE2 4.41Å; D479-F484 WeakPolarHBondContact OD2-CE2 3.41Å
485	L	91.7	Very high	87	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	106.4	175.7	-51.9	-174.4	0	0	0	108.6	V444 K445 I447 E457 V458 L473 V476 V483	V444-L485 CarbonylContact C-O 3.54Å; V444-L485 VanDerWaalsContact CA-O 3.31Å; V444-L485 WeakPolarHBondContact CA-O 3.29Å; K445-L485 HydrophobicContact CB-CB 4.25Å; K445-L485 PolarHBondContact N-O 3.16Å; K445-L485 PolarHBondContact O-N 3.15Å; I447-L485 HydrophobicContact CD1-CD1 3.7Å; I447-L485 HydrophobicContact CD1-CG 4.23Å; E457-L485 HydrophobicContact CG-CD1 4.25Å; V458-L485 HydrophobicContact CG2-CD1 4.3Å; V458-L485 HydrophobicContact CG2-CD2 3.4Å; V458-L485 HydrophobicContact CG2-CG 4.49Å; L473-L485 HydrophobicContact CD1-CB 3.83Å; L473-L485 HydrophobicContact CD1-CD2 4.41Å; V476-L485 HydrophobicContact CB-CD2 4.48Å; V476-L485 HydrophobicContact CG1-CD2 3.93Å; V476-L485 HydrophobicContact CG2-CD2 3.97Å; V483-L485 HydrophobicContact CG1-CD2 3.68Å; V483-L485 HydrophobicContact CG1-CG 4.43Å
486	V	91.6	Very high	86.9	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	119.1	178	-174.7	0	0	0	0	108.9	Y412 Y416 Y442 A443 V444 K474 D475 Y477	Y412-V486 HydrophobicContact CD2-CG2 4.33Å; Y412-V486 HydrophobicContact CE2-CG2 3.95Å; Y416-V486 HydrophobicContact CD1-CG1 4.47Å; Y416-V486 HydrophobicContact CD2-CG2 4.3Å; Y416-V486 HydrophobicContact CE1-CG1 3.8Å; Y416-V486 HydrophobicContact CE2-CG1 4.39Å; Y416-V486 HydrophobicContact CE2-CG2 4.06Å; Y442-V486 HydrophobicContact CD1-CG1 4.33Å; Y442-V486 HydrophobicContact CG-CG1 4.02Å; A443-V486 CarbonylContact O-C 3.43Å; A443-V486 WeakPolarHBondContact O-CA 3.21Å; V444-V486 HydrophobicContact CB-CG2 4.48Å; V444-V486 HydrophobicContact CG2-CG2 4.2Å; K474-V486 WeakPolarHBondContact CA-O 3.46Å; K474-V486 WeakPolarHBondContact CB-O 3.29Å; K474-V486 PolarHBondContact N-O 3.21Å; D475-V486 HydrophobicContact CB-CB 4.1Å; D475-V486 HydrophobicContact CB-CG2 4.26Å; D475-V486 PolarHBondContact N-O 2.69Å; D475-V486 PolarHBondContact O-N 3.04Å; Y477-V486 HydrophobicContact CD2-CG2 4.31Å; Y477-V486 HydrophobicContact CE2-CG2 4.14Å
487	T	92.9	Very high	86.8	Confident	14 Å²	14	41.7 Å²	41.7	9%	0.086	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	167.8	-179.4	59.3	0	0	0	0	111.2	Y442 A443 I471 T472 L473	Y442-T487 WeakPolarHBondContact CB-O 3.26Å; A443-T487 PolarHBondContact N-O 3.46Å; A443-T487 PolarHBondContact O-N 3.42Å; I471-T487 HydrophobicContact CD1-CG2 4.14Å; I471-T487 HydrophobicContact CG1-CG2 4.21Å; T472-T487 VanDerWaalsContact O-CA 3.29Å; T472-T487 WeakPolarHBondContact O-CA 3.22Å; T472-T487 WeakPolarHBondContact O-CB 3.44Å; L473-T487 HydrophobicContact CD1-CG2 4.01Å
488	E	90.3	Very high	86.6	Confident	34 Å²	34	42.3 Å²	42.3	16%	0.159	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	143.1	166.3	48.4	176.8	150.2	0	0	111.9	I471 T472 M490 R552	I471-E488 HydrophobicContact CG1-CG 3.95Å; T472-E488 VanDerWaalsContact CB-OE1 3.3Å; T472-E488 WeakPolarHBondContact CB-OE1 3.45Å; T472-E488 PolarHBondContact N-OE1 3.22Å; T472-E488 PolarHBondContact O-N 3.36Å; T472-E488 PolarHBondContact OG1-OE1 2.94Å; E488-M490 HydrophobicContact CB-CE 3.89Å; E488-M490 HydrophobicContact CG-CE 3.42Å; E488-M490 VanDerWaalsContact CG-CE 3.42Å; E488-R552 IonicContact OE1-NE 3.93Å
489	L	91.9	Very high	86.6	Confident	28 Å²	28	38.1 Å²	38.1	15%	0.147	20%	0.204	C	C	.	.			trans	-83	121.1	178.7	-178.7	63.6	0	0	0	110.5	I422 R432 E441 A443 K491	I422-L489 HydrophobicContact CD1-CD1 3.95Å; R432-L489 HydrophobicContact CG-CD1 4.49Å; R432-L489 HydrophobicContact CG-CD2 4.09Å; E441-L489 HydrophobicContact CB-CD2 3.92Å; A443-L489 HydrophobicContact CB-CD1 4.13Å; L489-K491 HydrophobicContact CD2-CG 4.25Å; L489-K491 HydrophobicContact CG-CG 4.2Å; L489-K491 PolarHBondContact O-N 2.75Å
490	M	92.5	Very high	86.5	Confident	24 Å²	24	34.3 Å²	34.3	12%	0.118	18%	0.183	C	C	.	.			trans	-83.9	98.6	176.3	-58	-63.5	90.2	0	0	110.1	I471 E488 L540 V542 R552	I471-M490 HydrophobicContact CD1-CG 4.48Å; E488-M490 HydrophobicContact CB-CE 3.89Å; E488-M490 HydrophobicContact CG-CE 3.42Å; E488-M490 VanDerWaalsContact CG-CE 3.42Å; M490-L540 HydrophobicContact CB-CB 3.78Å; M490-L540 HydrophobicContact CB-CD1 3.75Å; M490-L540 HydrophobicContact CB-CG 4.42Å; M490-L540 HydrophobicContact CG-CB 3.86Å; M490-L540 HydrophobicContact CG-CD1 3.84Å; M490-L540 HydrophobicContact CG-CG 4.46Å; M490-V542 HydrophobicContact CE-CB 4.47Å; M490-V542 HydrophobicContact CE-CG1 4.49Å; M490-V542 HydrophobicContact CE-CG2 3.94Å; M490-V542 HydrophobicContact SD-CG2 3.92Å; M490-R552 HydrophobicContact CE-CG 4.41Å; M490-R552 HydrophobicContact SD-CB 3.77Å; M490-R552 HydrophobicContact SD-CG 3.63Å
491	K	89.9	Confident	86.7	Confident	125 Å²	125	41.4 Å²	41.4	54%	0.543	19%	0.193	S	C	.	.			trans	-83.5	-18.9	-176.8	-62.9	-173.6	174.8	-166.7	0	113.1	E441 L489 G493 V542	E441-K491 WeakPolarHBondContact OE2-CE 3.42Å; E441-K491 IonicContact OE2-NZ 3.4Å; E441-K491 PolarHBondContact OE2-NZ 2.73Å; L489-K491 HydrophobicContact CD2-CG 4.25Å; L489-K491 HydrophobicContact CG-CG 4.2Å; L489-K491 PolarHBondContact O-N 2.75Å; K491-G493 VanDerWaalsContact C-N 3.33Å; K491-G493 PolarHBondContact O-N 2.86Å; K491-V542 PolarHBondContact N-O 2.87Å
492	G	86.2	Confident	86.5	Confident	12 Å²	12	35.5 Å²	35.5	12%	0.124	17%	0.173	C	C	.	.	S	Bend	trans	-80.2	-6.8	-173.8	0	0	0	0	0	116.1	Y541 V542 D543	G492-Y541 VanDerWaalsContact CA-O 3.24Å; G492-Y541 WeakPolarHBondContact CA-O 3.39Å; G492-Y541 PolarHBondContact N-O 3.4Å; G492-V542 PolarHBondContact N-O 2.92Å; G492-D543 VanDerWaalsContact CA-C 3.42Å; G492-D543 WeakPolarHBondContact CA-O 3.15Å
493	G	87.8	Confident	85.7	Confident	34 Å²	34	43.6 Å²	43.6	35%	0.351	21%	0.206	S	C	.	.			trans	77.2	-175.4	178.1	0	0	0	0	0	114.8	K491 L540 Y541	K491-G493 VanDerWaalsContact C-N 3.33Å; K491-G493 PolarHBondContact O-N 2.86Å; G493-L540 WeakPolarHBondContact O-CA 3.49Å; G493-Y541 PolarHBondContact O-N 3.44Å
494	E	88.8	Confident	85.1	Confident	51 Å²	51	50.2 Å²	50.2	24%	0.238	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-68	140.5	-180	-66.7	178.3	-136.7	0	0	112.4	L496 D497 K498 L540 K694	E494-L496 PolarHBondContact O-N 3.39Å; E494-D497 HydrophobicContact CB-CB 4.24Å; E494-D497 PolarHBondContact O-N 3.44Å; E494-K498 PolarHBondContact O-N 3.35Å; E494-L540 HydrophobicContact CB-CD2 4.13Å; E494-L540 HydrophobicContact CG-CD2 3.66Å; E494-K694 IonicContact OE1-NZ 2.58Å; E494-K694 PolarHBondContact OE1-NZ 3.29Å; E494-K694 WeakPolarHBondContact OE2-CE 2.94Å; E494-K694 IonicContact OE2-NZ 2.63Å; E494-K694 PolarHBondContact OE2-NZ 3.36Å
495	L	87.2	Confident	84.8	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-52	-52.4	-179.1	174.9	63	0	0	0	112.4	K498 I499 V513 I517 I539 Y541 I551 L601	L495-K498 PolarHBondContact O-N 3.03Å; L495-I499 HydrophobicContact CD1-CD1 3.58Å; L495-I499 HydrophobicContact CD1-CG1 4.3Å; L495-I499 HydrophobicContact CG-CD1 3.83Å; L495-I499 WeakPolarHBondContact O-CG1 3.14Å; L495-I499 PolarHBondContact O-N 3.17Å; L495-I499 VanDerWaalsContact O-N 3.12Å; L495-V513 HydrophobicContact CD1-CG1 3.85Å; L495-V513 HydrophobicContact CD1-CG2 4.49Å; L495-V513 HydrophobicContact CD2-CG1 3.84Å; L495-V513 HydrophobicContact CG-CG1 4.4Å; L495-I517 HydrophobicContact CD2-CD1 3.68Å; L495-I539 HydrophobicContact CB-CB 4.27Å; L495-I539 HydrophobicContact CB-CG2 4.1Å; L495-I539 VanDerWaalsContact CB-O 3.28Å; L495-I539 WeakPolarHBondContact CB-O 2.91Å; L495-I539 HydrophobicContact CD2-CB 4.3Å; L495-I539 HydrophobicContact CD2-CG2 3.79Å; L495-I539 HydrophobicContact CG-CG2 4.5Å; L495-I539 PolarHBondContact N-O 2.88Å; L495-Y541 HydrophobicContact CB-CE2 4.47Å; L495-Y541 HydrophobicContact CD1-CE1 4.46Å; L495-Y541 HydrophobicContact CD1-CE2 3.51Å; L495-Y541 VanDerWaalsContact CD1-CZ 3.47Å; L495-Y541 WeakPolarHBondContact CD1-OH 3.34Å; L495-I551 HydrophobicContact CD1-CD1 3.91Å; L495-I551 HydrophobicContact CD1-CG1 4.47Å; L495-L601 HydrophobicContact CD2-CD1 4.28Å; L495-L601 HydrophobicContact CD2-CD2 3.98Å
496	L	82.7	Confident	84.7	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.016	23%	0.233	C	C	.	.	H	α-helix	trans	-72.6	-34.9	-172.5	-166.9	68.8	0	0	0	112.1	E494 K498 I499 L500 P536 T604 V693 M697	E494-L496 PolarHBondContact O-N 3.39Å; L496-K498 VanDerWaalsContact C-N 3.26Å; L496-K498 PolarHBondContact O-N 3.43Å; L496-I499 PolarHBondContact O-N 3.19Å; L496-L500 HydrophobicContact CD1-CD1 4.34Å; L496-L500 HydrophobicContact CD1-CG 4.21Å; L496-L500 HydrophobicContact CD2-CD1 3.88Å; L496-L500 HydrophobicContact CG-CD1 3.64Å; L496-L500 HydrophobicContact CG-CG 3.97Å; L496-L500 WeakPolarHBondContact O-CB 3.33Å; L496-L500 WeakPolarHBondContact O-CG 3.49Å; L496-L500 PolarHBondContact O-N 3.36Å; L496-P536 HydrophobicContact CB-CB 3.87Å; L496-T604 HydrophobicContact CD1-CG2 4.07Å; L496-T604 HydrophobicContact CD2-CG2 3.85Å; L496-V693 HydrophobicContact CD2-CG1 4.36Å; L496-M697 HydrophobicContact CB-CE 4.42Å; L496-M697 HydrophobicContact CD2-CE 3.22Å; L496-M697 HydrophobicContact CD2-SD 3.64Å; L496-M697 HydrophobicContact CG-CE 4.41Å
497	D	82.8	Confident	84.7	Confident	43 Å²	43	49.7 Å²	49.7	23%	0.23	23%	0.233	C	C	.	.	H	α-helix	trans	-60.9	-39.3	177	-76	-18.3	0	0	0	111	E494 R501 K694	E494-D497 HydrophobicContact CB-CB 4.24Å; E494-D497 PolarHBondContact O-N 3.44Å; D497-R501 WeakPolarHBondContact O-CB 3.47Å; D497-R501 WeakPolarHBondContact O-CD 3.3Å; D497-R501 WeakPolarHBondContact O-CG 3.41Å; D497-R501 PolarHBondContact O-N 3.37Å; D497-K694 IonicContact OD1-NZ 3.74Å; D497-K694 IonicContact OD2-NZ 2.86Å; D497-K694 PolarHBondContact OD2-NZ 3.17Å
498	K	81.4	Confident	84.7	Confident	37 Å²	37	51.9 Å²	51.9	16%	0.161	24%	0.24	C	C	.	.	H	α-helix	trans	-69.4	-46.2	176.9	-159.8	168.7	-166.3	163.6	0	111.8	E494 L495 L496 L500 R501 Q502 Y541 D543 E544 G546	E494-K498 PolarHBondContact O-N 3.35Å; L495-K498 PolarHBondContact O-N 3.03Å; L496-K498 VanDerWaalsContact C-N 3.26Å; L496-K498 PolarHBondContact O-N 3.43Å; K498-L500 VanDerWaalsContact C-N 3.35Å; K498-L500 PolarHBondContact O-N 2.7Å; K498-R501 PolarHBondContact O-N 2.73Å; K498-Q502 WeakPolarHBondContact O-CG 3.43Å; K498-Q502 PolarHBondContact O-N 2.59Å; K498-Y541 HydrophobicContact CB-CD2 4.25Å; K498-Y541 HydrophobicContact CB-CE2 3.95Å; K498-Y541 HydrophobicContact CD-CD2 3.49Å; K498-Y541 VanDerWaalsContact CD-CD2 3.49Å; K498-Y541 HydrophobicContact CD-CE2 3.56Å; K498-Y541 HydrophobicContact CD-CG 4.21Å; K498-Y541 HydrophobicContact CG-CE2 4.28Å; K498-D543 PolarHBondContact NZ-O 3.31Å; K498-E544 WeakPolarHBondContact CE-O 3.2Å; K498-E544 VanDerWaalsContact NZ-CA 3.31Å; K498-E544 PolarHBondContact NZ-O 3.43Å; K498-G546 VanDerWaalsContact CE-CA 3.41Å; K498-G546 VanDerWaalsContact NZ-CA 3.34Å
499	I	82.1	Confident	84.7	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-63.6	-38.5	178.9	-71	173.7	0	0	0	111.6	L495 L496 F505 V513 M605 R686	L495-I499 HydrophobicContact CD1-CD1 3.58Å; L495-I499 HydrophobicContact CD1-CG1 4.3Å; L495-I499 HydrophobicContact CG-CD1 3.83Å; L495-I499 WeakPolarHBondContact O-CG1 3.14Å; L495-I499 PolarHBondContact O-N 3.17Å; L495-I499 VanDerWaalsContact O-N 3.12Å; L496-I499 PolarHBondContact O-N 3.19Å; I499-F505 HydrophobicContact CB-CE2 4.47Å; I499-F505 HydrophobicContact CB-CZ 4.46Å; I499-F505 HydrophobicContact CD1-CE2 4.17Å; I499-F505 HydrophobicContact CD1-CZ 3.78Å; I499-F505 HydrophobicContact CG1-CE2 3.86Å; I499-F505 HydrophobicContact CG1-CZ 3.93Å; I499-F505 HydrophobicContact CG2-CD1 3.73Å; I499-F505 HydrophobicContact CG2-CD2 4.16Å; I499-F505 HydrophobicContact CG2-CE1 3.58Å; I499-F505 HydrophobicContact CG2-CE2 4Å; I499-F505 HydrophobicContact CG2-CG 4.01Å; I499-F505 HydrophobicContact CG2-CZ 3.71Å; I499-V513 HydrophobicContact CD1-CG1 4.43Å; I499-V513 HydrophobicContact CD1-CG2 4.42Å; I499-M605 HydrophobicContact CD1-CG 4.03Å; I499-M605 HydrophobicContact CD1-SD 3.62Å; I499-R686 PolarHBondContact O-NH1 2.83Å
500	L	78.1	Confident	84.7	Confident	20 Å²	20	52.8 Å²	52.8	11%	0.105	24%	0.243	C	C	.	.	H	α-helix	trans	-75.9	-22.7	179.9	-73.4	171	0	0	0	113.4	L496 K498 P690 V693	L496-L500 HydrophobicContact CD1-CD1 4.34Å; L496-L500 HydrophobicContact CD1-CG 4.21Å; L496-L500 HydrophobicContact CD2-CD1 3.88Å; L496-L500 HydrophobicContact CG-CD1 3.64Å; L496-L500 HydrophobicContact CG-CG 3.97Å; L496-L500 WeakPolarHBondContact O-CB 3.33Å; L496-L500 WeakPolarHBondContact O-CG 3.49Å; L496-L500 PolarHBondContact O-N 3.36Å; K498-L500 VanDerWaalsContact C-N 3.35Å; K498-L500 PolarHBondContact O-N 2.7Å; L500-P690 HydrophobicContact CB-CB 3.95Å; L500-P690 HydrophobicContact CB-CG 4.22Å; L500-P690 HydrophobicContact CD1-CB 4.12Å; L500-V693 HydrophobicContact CD1-CB 4.13Å; L500-V693 HydrophobicContact CD1-CG1 4.16Å
501	R	79.3	Confident	84.9	Confident	205 Å²	205	51.6 Å²	51.6	77%	0.774	24%	0.238	S	C	*	.	H	α-helix	trans	-84	-17.6	175.8	-74	172.3	-175.6	-118.9	3.6	113.2	D497 K498 K503	D497-R501 WeakPolarHBondContact O-CB 3.47Å; D497-R501 WeakPolarHBondContact O-CD 3.3Å; D497-R501 WeakPolarHBondContact O-CG 3.41Å; D497-R501 PolarHBondContact O-N 3.37Å; K498-R501 PolarHBondContact O-N 2.73Å; R501-K503 PolarHBondContact O-N 3.17Å
502	Q	76.3	Confident	85	Confident	66 Å²	66	47.1 Å²	47.1	31%	0.308	22%	0.223	S	C	.	.			trans	-68.8	124.7	177.5	-77.2	172.8	-3.8	0	0	110.2	K498 F504	K498-Q502 WeakPolarHBondContact O-CG 3.43Å; K498-Q502 PolarHBondContact O-N 2.59Å; Q502-F504 PolarHBondContact O-N 3.33Å
503	K	68.5	Low	85.4	Confident	188 Å²	188	46.8 Å²	46.8	82%	0.817	22%	0.219	S	C	*	.	S	Bend	trans	-64	-26.5	173.4	-70.3	-171	176.5	-175	0	112.5	R501	R501-K503 PolarHBondContact O-N 3.17Å
504	F	74.1	Confident	85.8	Confident	146 Å²	146	45.1 Å²	45.1	64%	0.64	20%	0.202	S	C	*	.			trans	-130.7	117.2	-179.4	-56.3	-74.8	0	0	0	108.4	Q502 T683	Q502-F504 PolarHBondContact O-N 3.33Å; F504-T683 HydrophobicContact CD1-CG2 3.91Å; F504-T683 WeakPolarHBondContact CD1-OG1 3.34Å
505	F	84.4	Confident	86.1	Confident	7 Å²	7	45.6 Å²	45.6	3%	0.031	20%	0.202	C	C	.	.			trans	-139.7	127.9	173	-170.6	-112.3	0	0	0	108.3	I499 E509 A510 M605 L684	I499-F505 HydrophobicContact CB-CE2 4.47Å; I499-F505 HydrophobicContact CB-CZ 4.46Å; I499-F505 HydrophobicContact CD1-CE2 4.17Å; I499-F505 HydrophobicContact CD1-CZ 3.78Å; I499-F505 HydrophobicContact CG1-CE2 3.86Å; I499-F505 HydrophobicContact CG1-CZ 3.93Å; I499-F505 HydrophobicContact CG2-CD1 3.73Å; I499-F505 HydrophobicContact CG2-CD2 4.16Å; I499-F505 HydrophobicContact CG2-CE1 3.58Å; I499-F505 HydrophobicContact CG2-CE2 4Å; I499-F505 HydrophobicContact CG2-CG 4.01Å; I499-F505 HydrophobicContact CG2-CZ 3.71Å; F505-E509 WeakPolarHBondContact CA-OE2 3.21Å; F505-E509 HydrophobicContact CD2-CB 3.8Å; F505-E509 HydrophobicContact CE2-CB 3.5Å; F505-E509 HydrophobicContact CZ-CB 4.15Å; F505-A510 HydrophobicContact CE1-CB 3.7Å; F505-A510 HydrophobicContact CZ-CB 3.97Å; F505-M605 HydrophobicContact CE1-CB 4.06Å; F505-M605 HydrophobicContact CE1-CG 4.5Å; F505-M605 HydrophobicContact CZ-SD 4.39Å; F505-L684 HydrophobicContact CD1-CD1 4.09Å; F505-L684 WeakPolarHBondContact O-CB 3.17Å; F505-L684 WeakPolarHBondContact O-CG 3.47Å; F505-L684 PolarHBondContact O-N 2.98Å
506	S	90.4	Very high	86.5	Confident	7 Å²	7	46.3 Å²	46.3	5%	0.049	21%	0.207	C	C	.	.			trans	-112.5	163.6	-171.8	62.6	0	0	0	0	112	R508 E509 A510 Y682	S506-R508 PolarHBondContact O-N 3.47Å; S506-E509 WeakPolarHBondContact CB-OE2 3.46Å; S506-E509 PolarHBondContact N-OE2 2.81Å; S506-E509 PolarHBondContact O-N 3.46Å; S506-E509 VanDerWaalsContact O-N 3.15Å; S506-E509 WeakPolarHBondContact OG-CG 3.34Å; S506-E509 PolarHBondContact OG-N 3.32Å; S506-E509 PolarHBondContact OG-OE2 3.27Å; S506-A510 PolarHBondContact O-N 3.27Å; S506-Y682 WeakPolarHBondContact CB-O 3.3Å
507	E	92	Very high	87.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.6	-33.4	172.3	-71.4	-167.5	-138.7	0	0	112.7	E509 A510 S511 L606 V642 S643 W672 L679 Y682 L684	E507-E509 VanDerWaalsContact C-N 3.34Å; E507-E509 PolarHBondContact O-N 3.23Å; E507-A510 PolarHBondContact O-N 3.36Å; E507-S511 VanDerWaalsContact O-CB 3.23Å; E507-S511 WeakPolarHBondContact O-CB 3.41Å; E507-S511 PolarHBondContact O-N 2.73Å; E507-L606 HydrophobicContact CG-CD2 3.96Å; E507-V642 WeakPolarHBondContact OE1-CA 3.14Å; E507-S643 PolarHBondContact OE1-N 3Å; E507-S643 WeakPolarHBondContact OE2-CB 3.2Å; E507-S643 PolarHBondContact OE2-OG 3.46Å; E507-W672 HydrophobicContact CB-CZ2 4.04Å; E507-W672 HydrophobicContact CG-CZ2 4.46Å; E507-W672 WeakPolarHBondContact O-CZ2 3.37Å; E507-W672 PolarHBondContact OE2-NE1 3.42Å; E507-L679 HydrophobicContact CB-CD1 4.49Å; E507-Y682 HydrophobicContact CG-CE2 4.41Å; E507-Y682 PolarHBondContact OE1-OH 3.47Å; E507-L684 HydrophobicContact CG-CD2 3.93Å
508	R	92.1	Very high	87.8	Confident	59 Å²	59	44.2 Å²	44.2	22%	0.223	20%	0.195	C	C	.	.	H	α-helix	trans	-58.5	-46.6	174.2	-179.2	-178.2	-61.6	-137.5	-2.6	111.6	S506 S511 A512 E677 L679	S506-R508 PolarHBondContact O-N 3.47Å; R508-S511 PolarHBondContact O-N 3.25Å; R508-A512 PolarHBondContact O-N 2.84Å; R508-E677 PolarHBondContact NH1-O 3.39Å; R508-E677 PolarHBondContact NH2-O 3.36Å; R508-L679 HydrophobicContact CB-CB 4.1Å; R508-L679 PolarHBondContact NE-O 3.29Å; R508-L679 PolarHBondContact NH2-O 3.31Å
509	E	90.8	Very high	88.5	Confident	81 Å²	81	47 Å²	47	38%	0.379	21%	0.208	S	C	.	.	H	α-helix	trans	-69.3	-42.4	179.1	-68.7	160.8	127	0	0	111.1	F505 S506 E507 S511 A512 V513	F505-E509 WeakPolarHBondContact CA-OE2 3.21Å; F505-E509 HydrophobicContact CD2-CB 3.8Å; F505-E509 HydrophobicContact CE2-CB 3.5Å; F505-E509 HydrophobicContact CZ-CB 4.15Å; S506-E509 WeakPolarHBondContact CB-OE2 3.46Å; S506-E509 PolarHBondContact N-OE2 2.81Å; S506-E509 PolarHBondContact O-N 3.46Å; S506-E509 VanDerWaalsContact O-N 3.15Å; S506-E509 WeakPolarHBondContact OG-CG 3.34Å; S506-E509 PolarHBondContact OG-N 3.32Å; S506-E509 PolarHBondContact OG-OE2 3.27Å; E507-E509 VanDerWaalsContact C-N 3.34Å; E507-E509 PolarHBondContact O-N 3.23Å; E509-S511 VanDerWaalsContact C-N 3.28Å; E509-S511 PolarHBondContact O-N 3.26Å; E509-A512 PolarHBondContact O-N 3.18Å; E509-V513 WeakPolarHBondContact O-CG2 3.35Å; E509-V513 PolarHBondContact O-N 2.79Å
510	A	92.4	Very high	89.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.8	-41.6	173.6	0	0	0	0	0	112	F505 S506 E507 L514 M605 L606 W672	F505-A510 HydrophobicContact CE1-CB 3.7Å; F505-A510 HydrophobicContact CZ-CB 3.97Å; S506-A510 PolarHBondContact O-N 3.27Å; E507-A510 PolarHBondContact O-N 3.36Å; A510-L514 WeakPolarHBondContact O-CB 3.34Å; A510-L514 PolarHBondContact O-N 2.91Å; A510-M605 HydrophobicContact CB-CB 4.45Å; A510-L606 HydrophobicContact CB-CD2 4.23Å; A510-W672 HydrophobicContact CB-CH2 4Å; A510-W672 HydrophobicContact CB-CZ2 4.43Å
511	S	95.2	Very high	89.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-69.4	-38.4	178.3	-171.9	0	0	0	0	112.3	E507 R508 E509 L514 Y515 W672 R676	E507-S511 VanDerWaalsContact O-CB 3.23Å; E507-S511 WeakPolarHBondContact O-CB 3.41Å; E507-S511 PolarHBondContact O-N 2.73Å; R508-S511 PolarHBondContact O-N 3.25Å; E509-S511 VanDerWaalsContact C-N 3.28Å; E509-S511 PolarHBondContact O-N 3.26Å; S511-L514 PolarHBondContact O-N 2.87Å; S511-Y515 VanDerWaalsContact O-CB 3.24Å; S511-Y515 WeakPolarHBondContact O-CB 3.46Å; S511-Y515 PolarHBondContact O-N 3.32Å; S511-W672 VanDerWaalsContact CA-CH2 3.45Å; S511-W672 VanDerWaalsContact CA-CZ3 3.44Å; S511-W672 VanDerWaalsContact CB-CZ3 3.49Å; S511-W672 PolarHBondContact OG-O 2.96Å; S511-R676 VanDerWaalsContact OG-CB 3.25Å; S511-R676 WeakPolarHBondContact OG-CB 3.38Å
512	A	93.3	Very high	90.6	Very high	30 Å²	30	39.1 Å²	39.1	25%	0.248	18%	0.179	C	C	.	.	H	α-helix	trans	-64.9	-41.8	174.6	0	0	0	0	0	112.6	R508 E509 T516 A548	R508-A512 PolarHBondContact O-N 2.84Å; E509-A512 PolarHBondContact O-N 3.18Å; A512-T516 PolarHBondContact O-N 2.95Å; A512-T516 VanDerWaalsContact O-N 3.17Å; A512-T516 PolarHBondContact O-OG1 3.08Å; A512-A548 HydrophobicContact CB-CB 4.36Å
513	V	93.7	Very high	91.3	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.03	18%	0.179	C	C	.	.	H	α-helix	trans	-62.4	-50.8	173.6	169.2	0	0	0	0	110.4	L495 I499 E509 Y515 T516 I517 A548 I551 M605	L495-V513 HydrophobicContact CD1-CG1 3.85Å; L495-V513 HydrophobicContact CD1-CG2 4.49Å; L495-V513 HydrophobicContact CD2-CG1 3.84Å; L495-V513 HydrophobicContact CG-CG1 4.4Å; I499-V513 HydrophobicContact CD1-CG1 4.43Å; I499-V513 HydrophobicContact CD1-CG2 4.42Å; E509-V513 WeakPolarHBondContact O-CG2 3.35Å; E509-V513 PolarHBondContact O-N 2.79Å; V513-Y515 PolarHBondContact O-N 2.95Å; V513-T516 PolarHBondContact O-N 2.81Å; V513-I517 HydrophobicContact CG1-CD1 3.72Å; V513-I517 WeakPolarHBondContact O-CG1 3.41Å; V513-I517 PolarHBondContact O-N 3.39Å; V513-I517 VanDerWaalsContact O-N 3.14Å; V513-A548 HydrophobicContact CG2-CB 4.32Å; V513-I551 HydrophobicContact CB-CD1 4.43Å; V513-I551 HydrophobicContact CG1-CD1 3.97Å; V513-I551 HydrophobicContact CG2-CD1 4.22Å; V513-M605 HydrophobicContact CB-SD 4.18Å; V513-M605 HydrophobicContact CG1-CE 4.2Å; V513-M605 HydrophobicContact CG1-SD 3.67Å
514	L	95.9	Very high	92.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-47	179.1	-175.2	70.4	0	0	0	111.3	A510 S511 T516 I517 T518 L598 L602 M605 L649 M653 V667 W672 V673	A510-L514 WeakPolarHBondContact O-CB 3.34Å; A510-L514 PolarHBondContact O-N 2.91Å; S511-L514 PolarHBondContact O-N 2.87Å; L514-T516 VanDerWaalsContact C-N 3.29Å; L514-T516 PolarHBondContact O-N 3.01Å; L514-I517 PolarHBondContact O-N 2.97Å; L514-T518 WeakPolarHBondContact O-CB 3.49Å; L514-T518 PolarHBondContact O-N 2.82Å; L514-T518 PolarHBondContact O-OG1 3.28Å; L514-L598 HydrophobicContact CD1-CB 4.34Å; L514-L602 HydrophobicContact CD1-CB 4.44Å; L514-L602 HydrophobicContact CD2-CD1 4.14Å; L514-L602 HydrophobicContact CD2-CD2 3.79Å; L514-L602 HydrophobicContact CD2-CG 4.42Å; L514-M605 HydrophobicContact CB-CE 4.47Å; L514-L649 HydrophobicContact CD2-CD2 3.79Å; L514-M653 HydrophobicContact CD1-CE 4.23Å; L514-M653 HydrophobicContact CD2-SD 4.45Å; L514-V667 HydrophobicContact CD2-CG1 4.4Å; L514-W672 HydrophobicContact CD2-CE3 4.38Å; L514-W672 HydrophobicContact CD2-CZ3 3.8Å; L514-V673 HydrophobicContact CD2-CG2 4.15Å
515	Y	96.3	Very high	93	Very high	61 Å²	61	25.8 Å²	25.8	24%	0.239	12%	0.119	C	C	.	.	H	α-helix	trans	-53.1	-47.6	177.8	173.9	-99.1	0	0	0	111.7	S511 V513 K519 L668 V673	S511-Y515 VanDerWaalsContact O-CB 3.24Å; S511-Y515 WeakPolarHBondContact O-CB 3.46Å; S511-Y515 PolarHBondContact O-N 3.32Å; V513-Y515 PolarHBondContact O-N 2.95Å; Y515-K519 HydrophobicContact CE1-CD 4.09Å; Y515-K519 WeakPolarHBondContact O-CB 3.26Å; Y515-K519 PolarHBondContact O-N 3.12Å; Y515-L668 HydrophobicContact CD2-CD2 3.7Å; Y515-L668 HydrophobicContact CE2-CD2 3.96Å; Y515-V673 HydrophobicContact CD2-CG1 3.72Å; Y515-V673 HydrophobicContact CG-CG1 4.39Å
516	T	95.4	Very high	92.8	Very high	15 Å²	15	30 Å²	30	9%	0.092	15%	0.145	C	C	.	.	H	α-helix	trans	-63.9	-45.6	-178.1	-55.8	0	0	0	0	111.6	N469 A512 V513 L514 T520 A548	N469-T516 HydrophobicContact CB-CG2 4.44Å; N469-T516 WeakPolarHBondContact ND2-CG2 3.38Å; A512-T516 PolarHBondContact O-N 2.95Å; A512-T516 VanDerWaalsContact O-N 3.17Å; A512-T516 PolarHBondContact O-OG1 3.08Å; V513-T516 PolarHBondContact O-N 2.81Å; L514-T516 VanDerWaalsContact C-N 3.29Å; L514-T516 PolarHBondContact O-N 3.01Å; T516-T520 PolarHBondContact O-N 3.32Å; T516-T520 PolarHBondContact O-OG1 3.02Å; T516-A548 WeakPolarHBondContact CG2-O 3.21Å
517	I	95.6	Very high	92.2	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-68.4	-48.1	-179.9	-58	162.1	0	0	0	110.1	L495 V513 L514 K519 T520 V521 I539 I551 I553 L598 L601	L495-I517 HydrophobicContact CD2-CD1 3.68Å; V513-I517 HydrophobicContact CG1-CD1 3.72Å; V513-I517 WeakPolarHBondContact O-CG1 3.41Å; V513-I517 PolarHBondContact O-N 3.39Å; V513-I517 VanDerWaalsContact O-N 3.14Å; L514-I517 PolarHBondContact O-N 2.97Å; I517-K519 VanDerWaalsContact C-N 3.34Å; I517-K519 PolarHBondContact O-N 3.01Å; I517-T520 WeakPolarHBondContact O-CB 3.35Å; I517-T520 PolarHBondContact O-N 3.17Å; I517-T520 VanDerWaalsContact O-N 3.13Å; I517-V521 HydrophobicContact CG2-CG2 4.38Å; I517-V521 WeakPolarHBondContact O-CG2 3.46Å; I517-V521 PolarHBondContact O-N 3.28Å; I517-I539 HydrophobicContact CD1-CD1 4.22Å; I517-I539 HydrophobicContact CD1-CG2 4.26Å; I517-I539 HydrophobicContact CG1-CG2 4.43Å; I517-I539 HydrophobicContact CG2-CD1 4.36Å; I517-I551 HydrophobicContact CG1-CG2 4.28Å; I517-I553 HydrophobicContact CG2-CD1 4.37Å; I517-L598 HydrophobicContact CB-CD2 4.37Å; I517-L598 HydrophobicContact CG2-CD2 3.42Å; I517-L598 VanDerWaalsContact CG2-CD2 3.42Å; I517-L601 HydrophobicContact CD1-CD2 3.82Å
518	T	96.6	Very high	91.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.5	-37.8	-179.8	-55.9	0	0	0	0	112	L514 T520 V521 E522 A664 V667 L668	L514-T518 WeakPolarHBondContact O-CB 3.49Å; L514-T518 PolarHBondContact O-N 2.82Å; L514-T518 PolarHBondContact O-OG1 3.28Å; T518-T520 VanDerWaalsContact C-N 3.29Å; T518-T520 PolarHBondContact O-N 3.28Å; T518-V521 PolarHBondContact O-N 3.27Å; T518-E522 WeakPolarHBondContact O-CB 3.43Å; T518-E522 PolarHBondContact O-N 3.49Å; T518-A664 HydrophobicContact CG2-CB 4.16Å; T518-A664 WeakPolarHBondContact CG2-O 3.41Å; T518-V667 HydrophobicContact CG2-CB 3.85Å; T518-V667 HydrophobicContact CG2-CG1 3.72Å; T518-L668 HydrophobicContact CG2-CD1 4.4Å; T518-L668 HydrophobicContact CG2-CD2 3.93Å; T518-L668 HydrophobicContact CG2-CG 3.75Å
519	K	96.3	Very high	90.9	Very high	97 Å²	97	29.7 Å²	29.7	42%	0.422	15%	0.149	S	C	.	.	H	α-helix	trans	-61.7	-39.2	174.3	-174.7	-179.1	-178.8	-178.5	0	111.8	Y515 I517 Y523 L668	Y515-K519 HydrophobicContact CE1-CD 4.09Å; Y515-K519 WeakPolarHBondContact O-CB 3.26Å; Y515-K519 PolarHBondContact O-N 3.12Å; I517-K519 VanDerWaalsContact C-N 3.34Å; I517-K519 PolarHBondContact O-N 3.01Å; K519-Y523 PolarHBondContact O-N 3.34Å; K519-L668 HydrophobicContact CB-CD1 4.48Å; K519-L668 HydrophobicContact CB-CD2 4.28Å
520	T	95.6	Very high	90.6	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-67.8	-41.5	175.6	-50.3	0	0	0	0	111.5	N469 I470 T516 I517 T518 Y523 L524 I553	N469-T520 HydrophobicContact CB-CG2 4.09Å; N469-T520 WeakPolarHBondContact CB-OG1 3.47Å; I470-T520 HydrophobicContact CD1-CG2 4.21Å; I470-T520 HydrophobicContact CG1-CG2 3.65Å; T516-T520 PolarHBondContact O-N 3.32Å; T516-T520 PolarHBondContact O-OG1 3.02Å; I517-T520 WeakPolarHBondContact O-CB 3.35Å; I517-T520 PolarHBondContact O-N 3.17Å; I517-T520 VanDerWaalsContact O-N 3.13Å; T518-T520 VanDerWaalsContact C-N 3.29Å; T518-T520 PolarHBondContact O-N 3.28Å; T520-Y523 WeakPolarHBondContact O-CB 3.33Å; T520-Y523 PolarHBondContact O-N 3Å; T520-L524 WeakPolarHBondContact O-CG 3.27Å; T520-L524 PolarHBondContact O-N 3.14Å; T520-I553 HydrophobicContact CG2-CD1 3.7Å; T520-I553 HydrophobicContact CG2-CG1 4.41Å
521	V	94.2	Very high	90.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-67.3	-39.6	176.6	172.9	0	0	0	0	111.6	I517 T518 Y523 L524 H525 L534 I553 D594 L598 A664	I517-V521 HydrophobicContact CG2-CG2 4.38Å; I517-V521 WeakPolarHBondContact O-CG2 3.46Å; I517-V521 PolarHBondContact O-N 3.28Å; T518-V521 PolarHBondContact O-N 3.27Å; V521-Y523 VanDerWaalsContact C-N 3.34Å; V521-Y523 PolarHBondContact O-N 3.1Å; V521-L524 PolarHBondContact O-N 3.29Å; V521-H525 VanDerWaalsContact CG1-CE1 3.43Å; V521-H525 WeakPolarHBondContact CG1-CE1 3.23Å; V521-H525 WeakPolarHBondContact CG1-NE2 3.38Å; V521-H525 WeakPolarHBondContact O-CB 3.3Å; V521-H525 PolarHBondContact O-CD2 3.49Å; V521-H525 VanDerWaalsContact O-CD2 3.3Å; V521-H525 VanDerWaalsContact O-CG 3.26Å; V521-H525 PolarHBondContact O-N 2.96Å; V521-L534 HydrophobicContact CG1-CD1 4.46Å; V521-L534 HydrophobicContact CG2-CD1 3.58Å; V521-L534 HydrophobicContact CG2-CD2 4.4Å; V521-I553 HydrophobicContact CG2-CD1 4.3Å; V521-D594 HydrophobicContact CG1-CB 4.22Å; V521-L598 HydrophobicContact CG2-CD1 4.29Å; V521-A664 HydrophobicContact CG1-CB 4.39Å
522	E	94.2	Very high	89.8	Confident	57 Å²	57	30.3 Å²	30.3	27%	0.266	15%	0.148	S	C	.	.	H	α-helix	trans	-59.8	-46.1	172.6	-175.5	-166.8	-134.9	0	0	110.7	T518 L524 H525 V526 A664 A665 L668	T518-E522 WeakPolarHBondContact O-CB 3.43Å; T518-E522 PolarHBondContact O-N 3.49Å; E522-L524 VanDerWaalsContact C-N 3.3Å; E522-L524 PolarHBondContact O-N 3.12Å; E522-H525 PolarHBondContact O-N 2.77Å; E522-V526 HydrophobicContact CG-CG2 4.18Å; E522-V526 WeakPolarHBondContact O-CB 3.35Å; E522-V526 VanDerWaalsContact O-CG2 3.31Å; E522-V526 WeakPolarHBondContact O-CG2 3.46Å; E522-V526 PolarHBondContact O-N 2.99Å; E522-A664 HydrophobicContact CB-CB 3.8Å; E522-A664 HydrophobicContact CG-CB 4.39Å; E522-A665 HydrophobicContact CG-CB 4.5Å; E522-A665 WeakPolarHBondContact OE1-CA 3.29Å; E522-A665 VanDerWaalsContact OE1-CB 3.29Å; E522-A665 WeakPolarHBondContact OE1-CB 3.48Å; E522-L668 HydrophobicContact CB-CD1 3.94Å; E522-L668 VanDerWaalsContact CD-CD1 3.47Å; E522-L668 HydrophobicContact CG-CD1 4.24Å; E522-L668 WeakPolarHBondContact OE2-CD1 3.42Å
523	Y	91.3	Very high	89.3	Confident	80 Å²	80	29.1 Å²	29.1	31%	0.314	14%	0.138	S	C	.	.	H	α-helix	trans	-56.3	-45.2	175.5	171.7	-98.2	0	0	0	111.6	Y464 H467 I470 K519 T520 V521 N527	Y464-Y523 AromaticContact CD1-CE1 3.91Å; Y464-Y523 HydrophobicContact CD1-CE1 3.91Å; Y464-Y523 HydrophobicContact CG-CE1 4.49Å; H467-Y523 HydrophobicContact CB-CD1 4.29Å; H467-Y523 HydrophobicContact CB-CE1 3.97Å; H467-Y523 AromaticContact CD2-CD1 3.75Å; H467-Y523 AromaticContact CD2-CG 3.79Å; I470-Y523 HydrophobicContact CD1-CD1 4.34Å; I470-Y523 HydrophobicContact CD1-CE1 4.38Å; K519-Y523 PolarHBondContact O-N 3.34Å; T520-Y523 WeakPolarHBondContact O-CB 3.33Å; T520-Y523 PolarHBondContact O-N 3Å; V521-Y523 VanDerWaalsContact C-N 3.34Å; V521-Y523 PolarHBondContact O-N 3.1Å; Y523-N527 WeakPolarHBondContact CE2-ND2 3.47Å; Y523-N527 WeakPolarHBondContact O-CB 3.14Å; Y523-N527 PolarHBondContact O-N 3.01Å; Y523-N527 PolarHBondContact O-ND2 3.46Å
524	L	89.5	Confident	88.9	Confident	1 Å²	1	29 Å²	29	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-62.1	-50.5	174.8	-70.8	171.9	0	0	0	111.4	I470 T520 V521 E522 V526 N527 G528 V529 F556	I470-L524 HydrophobicContact CD1-CD1 4.45Å; I470-L524 HydrophobicContact CD1-CD2 3.72Å; I470-L524 HydrophobicContact CD1-CG 4.15Å; T520-L524 WeakPolarHBondContact O-CG 3.27Å; T520-L524 PolarHBondContact O-N 3.14Å; V521-L524 PolarHBondContact O-N 3.29Å; E522-L524 VanDerWaalsContact C-N 3.3Å; E522-L524 PolarHBondContact O-N 3.12Å; L524-V526 PolarHBondContact O-N 3.32Å; L524-N527 CarbonylContact O-C 3.55Å; L524-N527 VanDerWaalsContact O-C 3.29Å; L524-N527 WeakPolarHBondContact O-CA 3.19Å; L524-N527 PolarHBondContact O-N 3.17Å; L524-G528 PolarHBondContact O-N 3.24Å; L524-G528 VanDerWaalsContact O-N 3.09Å; L524-V529 CarbonylContact C-O 3.55Å; L524-V529 HydrophobicContact CB-CB 4.07Å; L524-V529 HydrophobicContact CB-CG1 4.44Å; L524-V529 HydrophobicContact CD2-CB 3.96Å; L524-V529 HydrophobicContact CD2-CG1 3.95Å; L524-V529 HydrophobicContact CD2-CG2 4.45Å; L524-V529 PolarHBondContact O-N 3.08Å; L524-F556 HydrophobicContact CD1-CE1 3.77Å; L524-F556 HydrophobicContact CD1-CZ 4.07Å; L524-F556 HydrophobicContact CD2-CE1 4.03Å
525	H	86.9	Confident	88.3	Confident	40 Å²	40	31 Å²	31	19%	0.185	15%	0.146	C	C	.	.	H	α-helix	trans	-62	-41	-177	-72.4	-170.4	0	0	0	112.5	V521 E522 N527 G528 V529 A591 D594	V521-H525 VanDerWaalsContact CG1-CE1 3.43Å; V521-H525 WeakPolarHBondContact CG1-CE1 3.23Å; V521-H525 WeakPolarHBondContact CG1-NE2 3.38Å; V521-H525 WeakPolarHBondContact O-CB 3.3Å; V521-H525 PolarHBondContact O-CD2 3.49Å; V521-H525 VanDerWaalsContact O-CD2 3.3Å; V521-H525 VanDerWaalsContact O-CG 3.26Å; V521-H525 PolarHBondContact O-N 2.96Å; E522-H525 PolarHBondContact O-N 2.77Å; H525-N527 VanDerWaalsContact C-N 3.26Å; H525-N527 PolarHBondContact O-N 3.12Å; H525-G528 WeakPolarHBondContact O-CA 3.12Å; H525-G528 PolarHBondContact O-N 3.2Å; H525-V529 PolarHBondContact CD2-O 3.04Å; H525-V529 VanDerWaalsContact CD2-O 3.31Å; H525-V529 PolarHBondContact N-O 2.87Å; H525-A591 PolarHBondContact CE1-O 3.35Å; H525-D594 IonicContact CD2-OD2 3.53Å; H525-D594 IonicContact CE1-OD2 2.87Å; H525-D594 IonicContact NE2-OD2 2.77Å; H525-D594 PolarHBondContact NE2-OD2 3.36Å
526	V	82.1	Confident	87.5	Confident	95 Å²	95	28.1 Å²	28.1	58%	0.576	14%	0.135	S	C	*	.	H	α-helix	trans	-64.7	-33.2	175.6	168.8	0	0	0	0	111.5	E522 L524 G528	E522-V526 HydrophobicContact CG-CG2 4.18Å; E522-V526 WeakPolarHBondContact O-CB 3.35Å; E522-V526 VanDerWaalsContact O-CG2 3.31Å; E522-V526 WeakPolarHBondContact O-CG2 3.46Å; E522-V526 PolarHBondContact O-N 2.99Å; L524-V526 PolarHBondContact O-N 3.32Å; V526-G528 PolarHBondContact O-N 3.13Å
527	N	75.9	Confident	86.7	Confident	49 Å²	49	30 Å²	30	26%	0.262	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	12	173	-74.2	-81.7	0	0	0	112.8	Y464 Y523 L524 H525 V529 Q561	Y464-N527 HydrophobicContact CD1-CB 4.41Å; Y464-N527 HydrophobicContact CE1-CB 3.57Å; Y464-N527 PolarHBondContact OH-O 3.25Å; Y523-N527 WeakPolarHBondContact CE2-ND2 3.47Å; Y523-N527 WeakPolarHBondContact O-CB 3.14Å; Y523-N527 PolarHBondContact O-N 3.01Å; Y523-N527 PolarHBondContact O-ND2 3.46Å; L524-N527 CarbonylContact O-C 3.55Å; L524-N527 VanDerWaalsContact O-C 3.29Å; L524-N527 WeakPolarHBondContact O-CA 3.19Å; L524-N527 PolarHBondContact O-N 3.17Å; H525-N527 VanDerWaalsContact C-N 3.26Å; H525-N527 PolarHBondContact O-N 3.12Å; N527-V529 VanDerWaalsContact C-N 3.31Å; N527-V529 PolarHBondContact O-N 3.14Å; N527-Q561 PolarHBondContact O-NE2 2.88Å
528	G	75.3	Confident	86.4	Confident	10 Å²	10	30.5 Å²	30.5	10%	0.103	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	17.4	177.1	0	0	0	0	0	114.5	L524 H525 V526 Q561 L562	L524-G528 PolarHBondContact O-N 3.24Å; L524-G528 VanDerWaalsContact O-N 3.09Å; H525-G528 WeakPolarHBondContact O-CA 3.12Å; H525-G528 PolarHBondContact O-N 3.2Å; V526-G528 PolarHBondContact O-N 3.13Å; G528-Q561 VanDerWaalsContact C-NE2 3.27Å; G528-Q561 CarbonylContact O-C 3.31Å; G528-Q561 PolarHBondContact O-NE2 3.3Å; G528-L562 VanDerWaalsContact O-CA 3.32Å; G528-L562 WeakPolarHBondContact O-CA 3.13Å; G528-L562 VanDerWaalsContact O-CB 3.25Å; G528-L562 WeakPolarHBondContact O-CB 3.49Å; G528-L562 PolarHBondContact O-N 3.36Å
529	V	82.8	Confident	86.1	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	129.7	173.4	179.8	0	0	0	0	109.5	I460 Y464 L524 H525 N527 A559	I460-V529 HydrophobicContact CD1-CG1 4.25Å; I460-V529 HydrophobicContact CG2-CG1 4.26Å; Y464-V529 HydrophobicContact CD2-CG2 3.96Å; Y464-V529 HydrophobicContact CE2-CG2 3.43Å; Y464-V529 VanDerWaalsContact CE2-CG2 3.43Å; L524-V529 CarbonylContact C-O 3.55Å; L524-V529 HydrophobicContact CB-CB 4.07Å; L524-V529 HydrophobicContact CB-CG1 4.44Å; L524-V529 HydrophobicContact CD2-CB 3.96Å; L524-V529 HydrophobicContact CD2-CG1 3.95Å; L524-V529 HydrophobicContact CD2-CG2 4.45Å; L524-V529 PolarHBondContact O-N 3.08Å; H525-V529 PolarHBondContact CD2-O 3.04Å; H525-V529 VanDerWaalsContact CD2-O 3.31Å; H525-V529 PolarHBondContact N-O 2.87Å; N527-V529 VanDerWaalsContact C-N 3.31Å; N527-V529 PolarHBondContact O-N 3.14Å; V529-A559 HydrophobicContact CG1-CB 4.38Å
530	V	84.9	Confident	85.9	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.012	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	134.5	168	178	0	0	0	0	108.9	R532 A559 K560 L562 D590 A591 D594	V530-R532 HydrophobicContact CB-CG 4.31Å; V530-R532 HydrophobicContact CG1-CG 3.64Å; V530-A559 CarbonylContact O-C 3.55Å; V530-A559 WeakPolarHBondContact O-CA 3.02Å; V530-K560 PolarHBondContact N-O 3.24Å; V530-K560 PolarHBondContact O-N 3.39Å; V530-L562 HydrophobicContact CB-CD1 4.16Å; V530-L562 HydrophobicContact CB-CG 4.08Å; V530-L562 HydrophobicContact CG2-CD1 3.25Å; V530-L562 HydrophobicContact CG2-CD2 4.43Å; V530-L562 HydrophobicContact CG2-CG 3.63Å; V530-D590 HydrophobicContact CG1-CB 4.23Å; V530-D590 WeakPolarHBondContact CG1-O 3.37Å; V530-A591 HydrophobicContact CG2-CB 4.15Å; V530-D594 VanDerWaalsContact CG1-OD2 3.26Å; V530-D594 WeakPolarHBondContact CG1-OD2 3.44Å
531	H	86.7	Confident	85.7	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.			trans	-80.2	-39.7	-171.3	-174.7	-55.8	0	0	0	112.4	D533 L534 I553 D555 F558 A559 D594	H531-D533 VanDerWaalsContact CE1-C 3.45Å; H531-D533 PolarHBondContact CE1-O 3.47Å; H531-D533 VanDerWaalsContact CE1-O 3.23Å; H531-D533 VanDerWaalsContact ND1-C 3.31Å; H531-D533 PolarHBondContact ND1-N 3.14Å; H531-D533 PolarHBondContact O-N 3.08Å; H531-L534 HydrophobicContact CB-CD1 4.42Å; H531-L534 HydrophobicContact CB-CD2 4.04Å; H531-L534 HydrophobicContact CB-CG 3.87Å; H531-L534 VanDerWaalsContact CD2-CD2 3.49Å; H531-L534 WeakPolarHBondContact CD2-CD2 3.23Å; H531-L534 PolarHBondContact ND1-N 3.36Å; H531-I553 VanDerWaalsContact CD2-CG2 3.4Å; H531-I553 WeakPolarHBondContact CD2-CG2 2.97Å; H531-I553 WeakPolarHBondContact NE2-CG2 3.2Å; H531-D555 PolarHBondContact CE1-O 3.38Å; H531-D555 PolarHBondContact NE2-O 3.07Å; H531-D555 VanDerWaalsContact NE2-O 3.12Å; H531-F558 CarbonylContact O-C 3.57Å; H531-F558 VanDerWaalsContact O-C 3.31Å; H531-A559 WeakPolarHBondContact O-CA 3.35Å; H531-A559 PolarHBondContact O-N 3.07Å; H531-D594 PolarHBondContact N-OD2 3.43Å
532	R	83.4	Confident	85.5	Confident	93 Å²	93	29.5 Å²	29.5	35%	0.351	15%	0.151	S	C	.	.	S	Bend	trans	61.9	4.2	175.1	-52.4	-174.3	-62.7	166.1	5.4	116.8	V530 F558 D594	V530-R532 HydrophobicContact CB-CG 4.31Å; V530-R532 HydrophobicContact CG1-CG 3.64Å; R532-F558 PolarHBondContact NE-O 2.95Å; R532-F558 PolarHBondContact NH2-O 3.42Å; R532-D594 PolarHBondContact N-OD1 2.8Å
533	D	83.4	Confident	85.1	Confident	4 Å²	4	29.9 Å²	29.9	2%	0.021	16%	0.155	C	C	.	.			trans	-150.9	39	178.7	-167.9	39	0	0	0	110	H531 K535 N538 F558	H531-D533 VanDerWaalsContact CE1-C 3.45Å; H531-D533 PolarHBondContact CE1-O 3.47Å; H531-D533 VanDerWaalsContact CE1-O 3.23Å; H531-D533 VanDerWaalsContact ND1-C 3.31Å; H531-D533 PolarHBondContact ND1-N 3.14Å; H531-D533 PolarHBondContact O-N 3.08Å; D533-K535 PolarHBondContact O-N 2.95Å; D533-K535 VanDerWaalsContact O-N 3.11Å; D533-K535 IonicContact OD1-NZ 3.63Å; D533-K535 PolarHBondContact OD1-NZ 2.87Å; D533-K535 IonicContact OD2-NZ 3.19Å; D533-K535 PolarHBondContact OD2-NZ 2.85Å; D533-N538 PolarHBondContact O-ND2 3.12Å; D533-N538 PolarHBondContact OD2-ND2 3.16Å; D533-F558 HydrophobicContact CB-CB 3.78Å; D533-F558 HydrophobicContact CB-CD2 3.78Å; D533-F558 HydrophobicContact CB-CG 4.1Å; D533-F558 WeakPolarHBondContact OD2-CD2 3.44Å
534	L	84.4	Confident	84.8	Confident	3 Å²	3	34 Å²	34	2%	0.016	18%	0.177	C	C	.	.			trans	-69.2	108.4	171.3	-71.6	174.6	0	0	0	107.9	V521 H531 I553 D594 S597 L598 Y701	V521-L534 HydrophobicContact CG1-CD1 4.46Å; V521-L534 HydrophobicContact CG2-CD1 3.58Å; V521-L534 HydrophobicContact CG2-CD2 4.4Å; H531-L534 HydrophobicContact CB-CD1 4.42Å; H531-L534 HydrophobicContact CB-CD2 4.04Å; H531-L534 HydrophobicContact CB-CG 3.87Å; H531-L534 VanDerWaalsContact CD2-CD2 3.49Å; H531-L534 WeakPolarHBondContact CD2-CD2 3.23Å; H531-L534 PolarHBondContact ND1-N 3.36Å; L534-I553 HydrophobicContact CD2-CD1 4.13Å; L534-I553 HydrophobicContact CD2-CG2 4.15Å; L534-D594 HydrophobicContact CD1-CB 3.64Å; L534-S597 WeakPolarHBondContact O-CB 2.96Å; L534-L598 HydrophobicContact CD1-CD2 4.26Å; L534-L598 HydrophobicContact CD1-CG 4.35Å; L534-Y701 WeakPolarHBondContact O-CE1 3.44Å
535	K	82.6	Confident	84.5	Confident	42 Å²	42	37.9 Å²	37.9	18%	0.183	20%	0.204	C	C	.	.			trans	-143.7	159.1	174	62.2	-176.2	173.5	-129.3	0	109.2	D533 S537 N538 Y701	D533-K535 PolarHBondContact O-N 2.95Å; D533-K535 VanDerWaalsContact O-N 3.11Å; D533-K535 IonicContact OD1-NZ 3.63Å; D533-K535 PolarHBondContact OD1-NZ 2.87Å; D533-K535 IonicContact OD2-NZ 3.19Å; D533-K535 PolarHBondContact OD2-NZ 2.85Å; K535-S537 WeakPolarHBondContact CE-OG 3.46Å; K535-S537 PolarHBondContact O-N 3.14Å; K535-N538 VanDerWaalsContact CE-ND2 3.33Å; K535-N538 WeakPolarHBondContact CE-ND2 3.4Å; K535-N538 WeakPolarHBondContact CE-OD1 3.31Å; K535-N538 HydrophobicContact CG-CB 4.14Å; K535-N538 WeakPolarHBondContact O-CA 3.37Å; K535-N538 WeakPolarHBondContact O-CB 3.35Å; K535-N538 PolarHBondContact O-N 2.96Å; K535-Y701 HydrophobicContact CB-CD1 3.88Å; K535-Y701 HydrophobicContact CB-CD2 3.92Å; K535-Y701 HydrophobicContact CB-CE1 3.89Å; K535-Y701 HydrophobicContact CB-CE2 3.97Å; K535-Y701 HydrophobicContact CB-CG 3.9Å
536	P	79.4	Confident	83.9	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.006	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-67.2	-23.6	-170.8	-30.7	44.3	0	0	0	114.9	L496 N538 I539 L601 M697	L496-P536 HydrophobicContact CB-CB 3.87Å; P536-N538 PolarHBondContact O-N 3.24Å; P536-I539 PolarHBondContact O-N 3.38Å; P536-I539 VanDerWaalsContact O-O 3.12Å; P536-L601 HydrophobicContact CB-CD1 4.49Å; P536-L601 HydrophobicContact CG-CD1 3.82Å; P536-M697 HydrophobicContact CB-CE 3.5Å; P536-M697 VanDerWaalsContact CB-CE 3.5Å; P536-M697 HydrophobicContact CB-SD 4.39Å; P536-M697 HydrophobicContact CG-CE 3.28Å; P536-M697 HydrophobicContact CG-SD 3.55Å; P536-M697 VanDerWaalsContact CG-SD 3.55Å
537	S	80.3	Confident	84	Confident	53 Å²	53	35.9 Å²	35.9	37%	0.371	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-70.3	-14.9	172.1	61.9	0	0	0	0	113.5	K535	K535-S537 WeakPolarHBondContact CE-OG 3.46Å; K535-S537 PolarHBondContact O-N 3.14Å
538	N	88.1	Confident	84.4	Confident	13 Å²	13	34 Å²	34	7%	0.07	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-98.8	2.3	176.3	-67.9	-3.8	0	0	0	112.6	D533 K535 P536 C554 D555	D533-N538 PolarHBondContact O-ND2 3.12Å; D533-N538 PolarHBondContact OD2-ND2 3.16Å; K535-N538 VanDerWaalsContact CE-ND2 3.33Å; K535-N538 WeakPolarHBondContact CE-ND2 3.4Å; K535-N538 WeakPolarHBondContact CE-OD1 3.31Å; K535-N538 HydrophobicContact CG-CB 4.14Å; K535-N538 WeakPolarHBondContact O-CA 3.37Å; K535-N538 WeakPolarHBondContact O-CB 3.35Å; K535-N538 PolarHBondContact O-N 2.96Å; P536-N538 PolarHBondContact O-N 3.24Å; N538-C554 PolarHBondContact O-N 3.49Å; N538-D555 HydrophobicContact CB-CB 4.08Å
539	I	91.4	Very high	84.9	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	108.6	-179	-56	166.6	0	0	0	107.8	L495 I517 P536 I551 R552 L601	L495-I539 HydrophobicContact CB-CB 4.27Å; L495-I539 HydrophobicContact CB-CG2 4.1Å; L495-I539 VanDerWaalsContact CB-O 3.28Å; L495-I539 WeakPolarHBondContact CB-O 2.91Å; L495-I539 HydrophobicContact CD2-CB 4.3Å; L495-I539 HydrophobicContact CD2-CG2 3.79Å; L495-I539 HydrophobicContact CG-CG2 4.5Å; L495-I539 PolarHBondContact N-O 2.88Å; I517-I539 HydrophobicContact CD1-CD1 4.22Å; I517-I539 HydrophobicContact CD1-CG2 4.26Å; I517-I539 HydrophobicContact CG1-CG2 4.43Å; I517-I539 HydrophobicContact CG2-CD1 4.36Å; P536-I539 PolarHBondContact O-N 3.38Å; P536-I539 VanDerWaalsContact O-O 3.12Å; I539-I551 HydrophobicContact CG2-CG2 3.39Å; I539-R552 WeakPolarHBondContact CA-O 3.31Å; I539-L601 HydrophobicContact CD1-CD2 4.02Å
540	L	91.9	Very high	85.3	Confident	36 Å²	36	40.7 Å²	40.7	19%	0.188	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	154.2	-170.2	-54.2	-177.7	0	0	0	111	M490 G493 E494 I551 R552 C554	M490-L540 HydrophobicContact CB-CB 3.78Å; M490-L540 HydrophobicContact CB-CD1 3.75Å; M490-L540 HydrophobicContact CB-CG 4.42Å; M490-L540 HydrophobicContact CG-CB 3.86Å; M490-L540 HydrophobicContact CG-CD1 3.84Å; M490-L540 HydrophobicContact CG-CG 4.46Å; G493-L540 WeakPolarHBondContact O-CA 3.49Å; E494-L540 HydrophobicContact CB-CD2 4.13Å; E494-L540 HydrophobicContact CG-CD2 3.66Å; L540-I551 CarbonylContact O-C 3.59Å; L540-I551 WeakPolarHBondContact O-CA 3.49Å; L540-R552 PolarHBondContact N-O 3.05Å; L540-R552 PolarHBondContact O-N 3.39Å; L540-C554 HydrophobicContact CD1-CB 4.31Å; L540-C554 HydrophobicContact CG-CB 4.46Å
541	Y	91.1	Very high	85.7	Confident	3 Å²	3	40.7 Å²	40.7	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	138	168.1	-72	-75.4	0	0	0	110.5	G492 G493 L495 K498 D543 N547 S550 I551	G492-Y541 VanDerWaalsContact CA-O 3.24Å; G492-Y541 WeakPolarHBondContact CA-O 3.39Å; G492-Y541 PolarHBondContact N-O 3.4Å; G493-Y541 PolarHBondContact O-N 3.44Å; L495-Y541 HydrophobicContact CB-CE2 4.47Å; L495-Y541 HydrophobicContact CD1-CE1 4.46Å; L495-Y541 HydrophobicContact CD1-CE2 3.51Å; L495-Y541 VanDerWaalsContact CD1-CZ 3.47Å; L495-Y541 WeakPolarHBondContact CD1-OH 3.34Å; K498-Y541 HydrophobicContact CB-CD2 4.25Å; K498-Y541 HydrophobicContact CB-CE2 3.95Å; K498-Y541 HydrophobicContact CD-CD2 3.49Å; K498-Y541 VanDerWaalsContact CD-CD2 3.49Å; K498-Y541 HydrophobicContact CD-CE2 3.56Å; K498-Y541 HydrophobicContact CD-CG 4.21Å; K498-Y541 HydrophobicContact CG-CE2 4.28Å; Y541-D543 VanDerWaalsContact C-N 3.28Å; Y541-D543 PolarHBondContact O-N 2.89Å; Y541-N547 WeakPolarHBondContact CE1-O 3.45Å; Y541-S550 VanDerWaalsContact CD1-OG 3.28Å; Y541-S550 WeakPolarHBondContact CD1-OG 3.46Å; Y541-I551 HydrophobicContact CD1-CG1 3.7Å; Y541-I551 HydrophobicContact CE1-CD1 3.92Å; Y541-I551 HydrophobicContact CE1-CG1 3.35Å
542	V	89.1	Confident	86	Confident	36 Å²	36	42.6 Å²	42.6	22%	0.218	22%	0.223	C	C	.	.	S	Bend	trans	-61.9	-40.8	172.1	176.9	0	0	0	0	110.4	M490 K491 G492 S550 R552	M490-V542 HydrophobicContact CE-CB 4.47Å; M490-V542 HydrophobicContact CE-CG1 4.49Å; M490-V542 HydrophobicContact CE-CG2 3.94Å; M490-V542 HydrophobicContact SD-CG2 3.92Å; K491-V542 PolarHBondContact N-O 2.87Å; G492-V542 PolarHBondContact N-O 2.92Å; V542-S550 WeakPolarHBondContact CG2-O 3.25Å; V542-S550 PolarHBondContact N-O 3.07Å; V542-R552 HydrophobicContact CG2-CG 3.5Å; V542-R552 VanDerWaalsContact CG2-CG 3.5Å
543	D	87.6	Confident	86.5	Confident	65 Å²	65	38.2 Å²	38.2	35%	0.348	21%	0.207	S	C	.	.	S	Bend	trans	-139.2	175.5	-172	63.8	50.9	0	0	0	113.7	G492 K498 Y541 S545	G492-D543 VanDerWaalsContact CA-C 3.42Å; G492-D543 WeakPolarHBondContact CA-O 3.15Å; K498-D543 PolarHBondContact NZ-O 3.31Å; Y541-D543 VanDerWaalsContact C-N 3.28Å; Y541-D543 PolarHBondContact O-N 2.89Å; D543-S545 PolarHBondContact O-N 3.23Å; D543-S545 WeakPolarHBondContact OD1-CA 3.21Å; D543-S545 WeakPolarHBondContact OD1-CB 3.46Å; D543-S545 PolarHBondContact OD1-N 2.81Å; D543-S545 PolarHBondContact OD1-OG 2.93Å
544	E	83.9	Confident	86.8	Confident	168 Å²	168	39 Å²	39	79%	0.785	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-3.5	-177	-66.6	-174.2	179.2	0	0	114.2	K498 G546	K498-E544 WeakPolarHBondContact CE-O 3.2Å; K498-E544 VanDerWaalsContact NZ-CA 3.31Å; K498-E544 PolarHBondContact NZ-O 3.43Å; E544-G546 VanDerWaalsContact C-N 3.31Å; E544-G546 PolarHBondContact O-N 3.33Å
545	S	83.1	Confident	86.9	Confident	82 Å²	82	40.2 Å²	40.2	57%	0.573	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-36.7	-178.1	70.7	0	0	0	0	113.5	D543 N547	D543-S545 PolarHBondContact O-N 3.23Å; D543-S545 WeakPolarHBondContact OD1-CA 3.21Å; D543-S545 WeakPolarHBondContact OD1-CB 3.46Å; D543-S545 PolarHBondContact OD1-N 2.81Å; D543-S545 PolarHBondContact OD1-OG 2.93Å; S545-N547 PolarHBondContact O-N 3.31Å; S545-N547 PolarHBondContact OG-N 3.04Å
546	G	75.3	Confident	87.1	Confident	16 Å²	16	38.2 Å²	38.2	17%	0.165	21%	0.21	C	C	.	.			trans	73.7	12.8	-174.4	0	0	0	0	0	113.4	K498 E544	K498-G546 VanDerWaalsContact CE-CA 3.41Å; K498-G546 VanDerWaalsContact NZ-CA 3.34Å; E544-G546 VanDerWaalsContact C-N 3.31Å; E544-G546 PolarHBondContact O-N 3.33Å
547	N	84.6	Confident	87.2	Confident	77 Å²	77	38.7 Å²	38.7	41%	0.412	22%	0.215	S	C	.	.			trans	-68.9	133.6	172.1	-179.1	-4.5	0	0	0	109.5	Y541 S545 E549 S550	Y541-N547 WeakPolarHBondContact CE1-O 3.45Å; S545-N547 PolarHBondContact O-N 3.31Å; S545-N547 PolarHBondContact OG-N 3.04Å; N547-E549 PolarHBondContact ND2-OE2 3.27Å; N547-E549 VanDerWaalsContact ND2-OE2 3.16Å; N547-E549 PolarHBondContact O-N 2.96Å; N547-E549 VanDerWaalsContact O-N 3.16Å; N547-E549 PolarHBondContact OD1-N 2.99Å; N547-S550 WeakPolarHBondContact O-CB 3.43Å; N547-S550 PolarHBondContact O-N 3.44Å; N547-S550 PolarHBondContact O-OG 3.24Å
548	A	83.4	Confident	87.2	Confident	10 Å²	10	39.7 Å²	39.7	8%	0.083	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-53	-34.3	175.6	0	0	0	0	0	112.8	A512 V513 T516 S550 I551	A512-A548 HydrophobicContact CB-CB 4.36Å; V513-A548 HydrophobicContact CG2-CB 4.32Å; T516-A548 WeakPolarHBondContact CG2-O 3.21Å; A548-S550 PolarHBondContact O-N 3.44Å; A548-I551 HydrophobicContact CB-CD1 4.28Å; A548-I551 WeakPolarHBondContact O-CB 3.34Å; A548-I551 WeakPolarHBondContact O-CD1 3.16Å; A548-I551 WeakPolarHBondContact O-CG1 3.03Å; A548-I551 PolarHBondContact O-N 3.49Å
549	E	85.7	Confident	86.9	Confident	140 Å²	140	39.3 Å²	39.3	65%	0.654	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-64.5	-23.9	178.3	-63	177.5	153.2	0	0	113.5	N469 N547 I551 R552	N469-E549 PolarHBondContact ND2-O 3.24Å; N547-E549 PolarHBondContact ND2-OE2 3.27Å; N547-E549 VanDerWaalsContact ND2-OE2 3.16Å; N547-E549 PolarHBondContact O-N 2.96Å; N547-E549 VanDerWaalsContact O-N 3.16Å; N547-E549 PolarHBondContact OD1-N 2.99Å; E549-I551 PolarHBondContact O-N 2.83Å; E549-R552 PolarHBondContact O-NH1 3.39Å
550	S	90.3	Very high	86.1	Confident	10 Å²	10	43.4 Å²	43.4	7%	0.07	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-83.1	4.3	176.3	71.5	0	0	0	0	113.2	Y541 V542 N547 A548	Y541-S550 VanDerWaalsContact CD1-OG 3.28Å; Y541-S550 WeakPolarHBondContact CD1-OG 3.46Å; V542-S550 WeakPolarHBondContact CG2-O 3.25Å; V542-S550 PolarHBondContact N-O 3.07Å; N547-S550 WeakPolarHBondContact O-CB 3.43Å; N547-S550 PolarHBondContact O-N 3.44Å; N547-S550 PolarHBondContact O-OG 3.24Å; A548-S550 PolarHBondContact O-N 3.44Å
551	I	93.6	Very high	85.2	Confident	1 Å²	1	42 Å²	42	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	139.9	176.9	-66.8	172	0	0	0	110.6	N469 L495 V513 I517 I539 L540 Y541 A548 E549	N469-I551 WeakPolarHBondContact CA-O 3.43Å; N469-I551 PolarHBondContact ND2-O 3.43Å; L495-I551 HydrophobicContact CD1-CD1 3.91Å; L495-I551 HydrophobicContact CD1-CG1 4.47Å; V513-I551 HydrophobicContact CB-CD1 4.43Å; V513-I551 HydrophobicContact CG1-CD1 3.97Å; V513-I551 HydrophobicContact CG2-CD1 4.22Å; I517-I551 HydrophobicContact CG1-CG2 4.28Å; I539-I551 HydrophobicContact CG2-CG2 3.39Å; L540-I551 CarbonylContact O-C 3.59Å; L540-I551 WeakPolarHBondContact O-CA 3.49Å; Y541-I551 HydrophobicContact CD1-CG1 3.7Å; Y541-I551 HydrophobicContact CE1-CD1 3.92Å; Y541-I551 HydrophobicContact CE1-CG1 3.35Å; A548-I551 HydrophobicContact CB-CD1 4.28Å; A548-I551 WeakPolarHBondContact O-CB 3.34Å; A548-I551 WeakPolarHBondContact O-CD1 3.16Å; A548-I551 WeakPolarHBondContact O-CG1 3.03Å; A548-I551 PolarHBondContact O-N 3.49Å; E549-I551 PolarHBondContact O-N 2.83Å
552	R	93.8	Very high	83.7	Confident	41 Å²	41	43.1 Å²	43.1	16%	0.155	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	135.9	170.3	-58.8	-69.1	-179.8	-92.6	8.6	110.6	P468 N469 E488 M490 I539 L540 V542 E549 C554	P468-R552 WeakPolarHBondContact O-CD 3.4Å; P468-R552 PolarHBondContact O-NE 3.24Å; P468-R552 PolarHBondContact O-NH1 3.45Å; P468-R552 PolarHBondContact O-NH2 3.21Å; N469-R552 WeakPolarHBondContact O-CA 3.14Å; E488-R552 IonicContact OE1-NE 3.93Å; M490-R552 HydrophobicContact CE-CG 4.41Å; M490-R552 HydrophobicContact SD-CB 3.77Å; M490-R552 HydrophobicContact SD-CG 3.63Å; I539-R552 WeakPolarHBondContact CA-O 3.31Å; L540-R552 PolarHBondContact N-O 3.05Å; L540-R552 PolarHBondContact O-N 3.39Å; V542-R552 HydrophobicContact CG2-CG 3.5Å; V542-R552 VanDerWaalsContact CG2-CG 3.5Å; E549-R552 PolarHBondContact O-NH1 3.39Å; R552-C554 PolarHBondContact O-SG 2.9Å; R552-C554 VanDerWaalsContact O-SG 3.34Å
553	I	94.5	Very high	82.1	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	125	164.2	-57.5	-179.8	0	0	0	107.5	N469 I471 I517 T520 V521 H531 L534 F556	N469-I553 PolarHBondContact O-N 3.16Å; I471-I553 WeakPolarHBondContact CB-O 3.43Å; I471-I553 PolarHBondContact N-O 3.45Å; I517-I553 HydrophobicContact CG2-CD1 4.37Å; T520-I553 HydrophobicContact CG2-CD1 3.7Å; T520-I553 HydrophobicContact CG2-CG1 4.41Å; V521-I553 HydrophobicContact CG2-CD1 4.3Å; H531-I553 VanDerWaalsContact CD2-CG2 3.4Å; H531-I553 WeakPolarHBondContact CD2-CG2 2.97Å; H531-I553 WeakPolarHBondContact NE2-CG2 3.2Å; L534-I553 HydrophobicContact CD2-CD1 4.13Å; L534-I553 HydrophobicContact CD2-CG2 4.15Å; I553-F556 HydrophobicContact CB-CE2 4.25Å; I553-F556 HydrophobicContact CB-CZ 4.37Å; I553-F556 HydrophobicContact CG2-CE2 3.84Å; I553-F556 HydrophobicContact CG2-CZ 3.97Å; I553-F556 WeakPolarHBondContact O-CE2 3.42Å
554	C	88.1	Confident	80.1	Confident	20 Å²	20	42.1 Å²	42.1	14%	0.135	22%	0.218	C	C	.	.			trans	-113.6	-28	-161.3	-62.9	0	0	0	0	116	I471 N538 L540 R552	I471-C554 HydrophobicContact CD1-CB 4.01Å; I471-C554 WeakPolarHBondContact CG2-O 3.31Å; N538-C554 PolarHBondContact O-N 3.49Å; L540-C554 HydrophobicContact CD1-CB 4.31Å; L540-C554 HydrophobicContact CG-CB 4.46Å; R552-C554 PolarHBondContact O-SG 2.9Å; R552-C554 VanDerWaalsContact O-SG 3.34Å
555	D	86.6	Confident	78.1	Confident	29 Å²	29	37.3 Å²	37.3	16%	0.155	20%	0.195	C	C	.	.			trans	-116.3	98	-172.8	-169.5	-1.4	0	0	0	112.2	K445 H531 N538 G557	K445-D555 IonicContact NZ-OD1 2.64Å; K445-D555 PolarHBondContact NZ-OD1 3.15Å; H531-D555 PolarHBondContact CE1-O 3.38Å; H531-D555 PolarHBondContact NE2-O 3.07Å; H531-D555 VanDerWaalsContact NE2-O 3.12Å; N538-D555 HydrophobicContact CB-CB 4.08Å; D555-G557 VanDerWaalsContact C-N 3.33Å; D555-G557 PolarHBondContact OD1-N 3.01Å
556	F	88.6	Confident	76	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.			trans	-94.4	13	178.1	-75	-100.5	0	0	0	112.6	E457 I460 L461 I470 L524 I553 F558 A559	E457-F556 HydrophobicContact CG-CB 4.09Å; I460-F556 HydrophobicContact CG2-CD1 3.55Å; I460-F556 HydrophobicContact CG2-CE1 4.07Å; I460-F556 HydrophobicContact CG2-CG 4.26Å; L461-F556 HydrophobicContact CD2-CB 4.33Å; L461-F556 HydrophobicContact CD2-CD2 3.59Å; L461-F556 HydrophobicContact CD2-CE2 4.11Å; L461-F556 HydrophobicContact CD2-CG 4.04Å; L461-F556 HydrophobicContact CG-CB 4.36Å; L461-F556 HydrophobicContact CG-CD2 4.49Å; I470-F556 HydrophobicContact CD1-CZ 4.22Å; I470-F556 HydrophobicContact CG1-CZ 4.16Å; I470-F556 HydrophobicContact CG2-CE2 3.71Å; I470-F556 HydrophobicContact CG2-CZ 3.73Å; L524-F556 HydrophobicContact CD1-CE1 3.77Å; L524-F556 HydrophobicContact CD1-CZ 4.07Å; L524-F556 HydrophobicContact CD2-CE1 4.03Å; I553-F556 HydrophobicContact CB-CE2 4.25Å; I553-F556 HydrophobicContact CB-CZ 4.37Å; I553-F556 HydrophobicContact CG2-CE2 3.84Å; I553-F556 HydrophobicContact CG2-CZ 3.97Å; I553-F556 WeakPolarHBondContact O-CE2 3.42Å; F556-F558 PolarHBondContact O-N 3.11Å; F556-F558 VanDerWaalsContact O-N 3.14Å; F556-A559 HydrophobicContact CB-CB 3.9Å; F556-A559 HydrophobicContact CD1-CB 3.57Å; F556-A559 HydrophobicContact CG-CB 4.18Å; F556-A559 VanDerWaalsContact O-CB 3.27Å; F556-A559 WeakPolarHBondContact O-CB 3.48Å; F556-A559 PolarHBondContact O-N 2.73Å
557	G	81.3	Confident	74.2	Confident	11 Å²	11	37 Å²	37	11%	0.113	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.8	-178.1	0	0	0	0	0	113.4	K452 E457 D555	K452-G557 WeakPolarHBondContact CE-O 3.44Å; K452-G557 PolarHBondContact NZ-O 2.98Å; E457-G557 VanDerWaalsContact CD-CA 3.46Å; E457-G557 PolarHBondContact OE1-N 3.18Å; E457-G557 WeakPolarHBondContact OE2-CA 3.29Å; D555-G557 VanDerWaalsContact C-N 3.33Å; D555-G557 PolarHBondContact OD1-N 3.01Å
558	F	79.4	Confident	72	Confident	74 Å²	74	33.3 Å²	33.3	33%	0.325	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-2.3	174.7	-66.4	-81.3	0	0	0	113.3	Y427 H531 R532 D533 F556	Y427-F558 HydrophobicContact CE1-CE1 4.36Å; Y427-F558 AromaticContact CE1-CE2 3.8Å; Y427-F558 HydrophobicContact CE1-CE2 3.8Å; Y427-F558 AromaticContact CE1-CZ 3.56Å; Y427-F558 HydrophobicContact CE1-CZ 3.56Å; Y427-F558 AromaticContact CZ-CE2 3.86Å; Y427-F558 WeakPolarHBondContact OH-CD2 3.41Å; Y427-F558 WeakPolarHBondContact OH-CE2 3.46Å; H531-F558 CarbonylContact O-C 3.57Å; H531-F558 VanDerWaalsContact O-C 3.31Å; R532-F558 PolarHBondContact NE-O 2.95Å; R532-F558 PolarHBondContact NH2-O 3.42Å; D533-F558 HydrophobicContact CB-CB 3.78Å; D533-F558 HydrophobicContact CB-CD2 3.78Å; D533-F558 HydrophobicContact CB-CG 4.1Å; D533-F558 WeakPolarHBondContact OD2-CD2 3.44Å; F556-F558 PolarHBondContact O-N 3.11Å; F556-F558 VanDerWaalsContact O-N 3.14Å
559	A	81.6	Confident	69.9	Low	5 Å²	5	33.9 Å²	33.9	4%	0.041	17%	0.171	C	C	.	.			trans	-61.1	149	175.9	0	0	0	0	0	109.7	I460 V529 V530 H531 F556	I460-A559 HydrophobicContact CD1-CB 3.74Å; V529-A559 HydrophobicContact CG1-CB 4.38Å; V530-A559 CarbonylContact O-C 3.55Å; V530-A559 WeakPolarHBondContact O-CA 3.02Å; H531-A559 WeakPolarHBondContact O-CA 3.35Å; H531-A559 PolarHBondContact O-N 3.07Å; F556-A559 HydrophobicContact CB-CB 3.9Å; F556-A559 HydrophobicContact CD1-CB 3.57Å; F556-A559 HydrophobicContact CG-CB 4.18Å; F556-A559 VanDerWaalsContact O-CB 3.27Å; F556-A559 WeakPolarHBondContact O-CB 3.48Å; F556-A559 PolarHBondContact O-N 2.73Å
560	K	75	Confident	67.8	Low	86 Å²	86	31.3 Å²	31.3	37%	0.374	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	130.8	176.5	-170.5	166.3	-175.2	178.2	0	108.4	V530 L562	V530-K560 PolarHBondContact N-O 3.24Å; V530-K560 PolarHBondContact O-N 3.39Å; K560-L562 PolarHBondContact O-N 3Å
561	Q	72.3	Confident	64.9	Low	7 Å²	7	35.3 Å²	35.3	3%	0.033	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	101.7	163.5	-170.6	68.5	63.4	0	0	106.9	E456 Y464 N527 G528 R563 L569	E456-Q561 VanDerWaalsContact OE1-CB 3.29Å; E456-Q561 WeakPolarHBondContact OE1-CB 3.48Å; E456-Q561 PolarHBondContact OE1-N 3.27Å; Y464-Q561 VanDerWaalsContact CE2-OE1 3.28Å; Y464-Q561 PolarHBondContact OH-OE1 2.99Å; N527-Q561 PolarHBondContact O-NE2 2.88Å; G528-Q561 VanDerWaalsContact C-NE2 3.27Å; G528-Q561 CarbonylContact O-C 3.31Å; G528-Q561 PolarHBondContact O-NE2 3.3Å; Q561-R563 PolarHBondContact O-N 3.15Å; Q561-L569 HydrophobicContact CB-CD2 3.93Å; Q561-L569 HydrophobicContact CG-CD2 3.08Å
562	L	61.3	Low	62	Low	27 Å²	27	39.5 Å²	39.5	14%	0.141	21%	0.211	C	C	.	.			trans	-58.8	138.9	173.7	-68.7	-169.3	0	0	0	109.9	G528 V530 K560	G528-L562 VanDerWaalsContact O-CA 3.32Å; G528-L562 WeakPolarHBondContact O-CA 3.13Å; G528-L562 VanDerWaalsContact O-CB 3.25Å; G528-L562 WeakPolarHBondContact O-CB 3.49Å; G528-L562 PolarHBondContact O-N 3.36Å; V530-L562 HydrophobicContact CB-CD1 4.16Å; V530-L562 HydrophobicContact CB-CG 4.08Å; V530-L562 HydrophobicContact CG2-CD1 3.25Å; V530-L562 HydrophobicContact CG2-CD2 4.43Å; V530-L562 HydrophobicContact CG2-CG 3.63Å; K560-L562 PolarHBondContact O-N 3Å
563	R	53.5	Low	58.9	Low	70 Å²	70	43.1 Å²	43.1	26%	0.264	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	136.4	-176.5	-81.7	166.8	177.9	-141.9	17.6	107.6	K160 E161 Q561 G567 L568 Q587	K160-R563 PolarHBondContact O-NH2 3.15Å; E161-R563 PolarHBondContact O-NH1 3.5Å; E161-R563 VanDerWaalsContact O-NH1 3.12Å; Q561-R563 PolarHBondContact O-N 3.15Å; R563-G567 WeakPolarHBondContact CD-O 3.35Å; R563-G567 PolarHBondContact NH1-O 2.71Å; R563-L568 CarbonylContact C-O 3.29Å; R563-L568 WeakPolarHBondContact CA-O 3.19Å; R563-L568 VanDerWaalsContact CB-N 3.3Å; R563-L568 WeakPolarHBondContact CB-O 3.15Å; R563-Q587 PolarHBondContact O-NE2 3.29Å
564	A	45.8	Very low	55.8	Low	10 Å²	10	54 Å²	54	8%	0.083	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-41.6	155.8	160.7	0	0	0	0	0	110	T165 N566 G567 L568 M570	T165-A564 HydrophobicContact CG2-CB 4.48Å; A564-N566 PolarHBondContact O-N 3.46Å; A564-G567 PolarHBondContact O-N 2.92Å; A564-L568 HydrophobicContact CB-CB 4.16Å; A564-L568 WeakPolarHBondContact CB-O 3.39Å; A564-L568 PolarHBondContact N-O 2.7Å; A564-L568 PolarHBondContact O-N 3.41Å; A564-M570 HydrophobicContact CB-CG 3.63Å; A564-M570 HydrophobicContact CB-SD 3.31Å; A564-M570 WeakPolarHBondContact CB-SD 3.36Å; A564-M570 VanDerWaalsContact N-CG 3.29Å
565	E	43.3	Very low	53.2	Low	67 Å²	67	56.7 Å²	56.7	31%	0.313	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	1.1	-161.2	-58	113.7	170.1	0	0	116	V579 V583 L584	E565-V579 HydrophobicContact CB-CG1 3.68Å; E565-V579 HydrophobicContact CG-CB 4.32Å; E565-V579 HydrophobicContact CG-CG1 3.19Å; E565-V579 HydrophobicContact CG-CG2 4.4Å; E565-V579 WeakPolarHBondContact OE1-CG1 3.41Å; E565-V579 VanDerWaalsContact OE1-CG2 3.25Å; E565-V579 WeakPolarHBondContact OE1-CG2 3.39Å; E565-V579 WeakPolarHBondContact OE2-CG1 3.48Å; E565-V579 WeakPolarHBondContact OE2-CG2 3.45Å; E565-V583 HydrophobicContact CB-CB 3.89Å; E565-V583 HydrophobicContact CB-CG1 3.48Å; E565-V583 VanDerWaalsContact CB-CG1 3.48Å; E565-V583 HydrophobicContact CB-CG2 4.47Å; E565-V583 HydrophobicContact CG-CB 3.88Å; E565-V583 HydrophobicContact CG-CG1 3.46Å; E565-V583 VanDerWaalsContact CG-CG1 3.46Å; E565-L584 WeakPolarHBondContact OE1-CD2 3.41Å
566	N	39.1	Very low	50.5	Low	66 Å²	66	59 Å²	59	35%	0.353	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	5.9	174.7	60.7	-8	0	0	0	114	M163 A564 L568	M163-N566 HydrophobicContact CE-CB 4.12Å; M163-N566 WeakPolarHBondContact CE-O 3.42Å; A564-N566 PolarHBondContact O-N 3.46Å; N566-L568 HydrophobicContact CB-CD1 4.38Å; N566-L568 WeakPolarHBondContact ND2-CD1 3.37Å; N566-L568 WeakPolarHBondContact OD1-CD1 3.24Å
567	G	36.7	Very low	47.7	Very low	24 Å²	24	65.8 Å²	65.8	25%	0.247	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	106	22.3	175.9	0	0	0	0	0	116.1	R563 A564	R563-G567 WeakPolarHBondContact CD-O 3.35Å; R563-G567 PolarHBondContact NH1-O 2.71Å; A564-G567 PolarHBondContact O-N 2.92Å
568	L	38.9	Very low	45.5	Very low	0 Å²	0	74.2 Å²	74.2	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	141.5	-167	-84.4	133.4	0	0	0	119.4	M163 F164 T165 D168 R563 A564 N566 M570	M163-L568 WeakPolarHBondContact O-CD1 3.49Å; M163-L568 WeakPolarHBondContact O-CD2 3.18Å; M163-L568 VanDerWaalsContact O-CG 3.31Å; M163-L568 WeakPolarHBondContact O-CG 3.41Å; F164-L568 HydrophobicContact CB-CD2 4.25Å; F164-L568 HydrophobicContact CD1-CD2 4.15Å; F164-L568 WeakPolarHBondContact O-CD1 3.48Å; T165-L568 VanDerWaalsContact CA-CD1 3.43Å; T165-L568 HydrophobicContact CG2-CB 3.15Å; T165-L568 HydrophobicContact CG2-CD1 3.47Å; T165-L568 VanDerWaalsContact CG2-CD1 3.47Å; T165-L568 HydrophobicContact CG2-CD2 3.84Å; T165-L568 HydrophobicContact CG2-CG 3.56Å; D168-L568 WeakPolarHBondContact OD2-CD2 3.39Å; R563-L568 CarbonylContact C-O 3.29Å; R563-L568 WeakPolarHBondContact CA-O 3.19Å; R563-L568 VanDerWaalsContact CB-N 3.3Å; R563-L568 WeakPolarHBondContact CB-O 3.15Å; A564-L568 HydrophobicContact CB-CB 4.16Å; A564-L568 WeakPolarHBondContact CB-O 3.39Å; A564-L568 PolarHBondContact N-O 2.7Å; A564-L568 PolarHBondContact O-N 3.41Å; N566-L568 HydrophobicContact CB-CD1 4.38Å; N566-L568 WeakPolarHBondContact ND2-CD1 3.37Å; N566-L568 WeakPolarHBondContact OD1-CD1 3.24Å; L568-M570 PolarHBondContact O-N 3.44Å
569	L	39.1	Very low	43.5	Very low	23 Å²	23	71.9 Å²	71.9	12%	0.12	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	119.4	-179.6	-64.9	175.4	0	0	0	112.9	F343 Q561 T571	F343-L569 HydrophobicContact CD2-CD1 3.73Å; F343-L569 HydrophobicContact CE2-CD1 4.32Å; Q561-L569 HydrophobicContact CB-CD2 3.93Å; Q561-L569 HydrophobicContact CG-CD2 3.08Å; L569-T571 PolarHBondContact O-N 2.84Å
570	M	41	Very low	41.2	Very low	86 Å²	86	73.6 Å²	73.6	42%	0.424	40%	0.399	S	S	.	.			trans	-82.6	110.9	177.3	-77.9	-71.8	-84.4	0	0	110.8	A564 L568	A564-M570 HydrophobicContact CB-CG 3.63Å; A564-M570 HydrophobicContact CB-SD 3.31Å; A564-M570 WeakPolarHBondContact CB-SD 3.36Å; A564-M570 VanDerWaalsContact N-CG 3.29Å; L568-M570 PolarHBondContact O-N 3.44Å
571	T	30.2	Very low	39.2	Very low	93 Å²	93	73.4 Å²	73.4	57%	0.571	41%	0.407	S	S	*	.			trans	-110.2	135	157.6	-44	0	0	0	0	106.7	P342 L569 C573	P342-T571 PolarHBondContact O-OG1 2.77Å; L569-T571 PolarHBondContact O-N 2.84Å; T571-C573 PolarHBondContact O-N 3.3Å
572	P	31.4	Very low	37.7	Very low	90 Å²	90	79.1 Å²	79.1	58%	0.584	43%	0.434	S	S	*	.			trans	-79	119	-151.7	30	-33.6	0	0	0	112.3
573	C	28.8	Very low	36.5	Very low	117 Å²	117	80 Å²	80	79%	0.791	44%	0.44	S	S	*	.			trans	-148.3	114.6	157.2	-77.6	0	0	0	0	108.9	T571 T575	T571-C573 PolarHBondContact O-N 3.3Å; C573-T575 PolarHBondContact O-N 3.16Å
574	Y	30.8	Very low	35.9	Very low	229 Å²	229	80.5 Å²	80.5	90%	0.898	45%	0.447	S	S	*	.			trans	-28.1	122.9	175.1	-73.9	-100.2	0	0	0	115.5
575	T	31.9	Very low	36	Very low	77 Å²	77	86 Å²	86	47%	0.472	47%	0.469	S	S	.	.			trans	-173.6	100.9	131.3	-60.1	0	0	0	0	109	C573 N577 F578	C573-T575 PolarHBondContact O-N 3.16Å; T575-N577 VanDerWaalsContact C-N 3.34Å; T575-N577 HydrophobicContact CG2-CB 4.36Å; T575-N577 PolarHBondContact O-N 3.49Å; T575-F578 HydrophobicContact CG2-CD2 4.09Å; T575-F578 HydrophobicContact CG2-CE2 4.09Å
576	A	31.1	Very low	36.3	Very low	78 Å²	78	89.7 Å²	89.7	65%	0.645	48%	0.484	S	S	*	.			trans	-85.6	8.7	-176.1	0	0	0	0	0	115.1
577	N	28.6	Very low	37	Very low	141 Å²	141	88.6 Å²	88.6	75%	0.754	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-1.4	-164.2	-71.3	-6.9	0	0	0	115.6	T575	T575-N577 VanDerWaalsContact C-N 3.34Å; T575-N577 HydrophobicContact CG2-CB 4.36Å; T575-N577 PolarHBondContact O-N 3.49Å
578	F	36.4	Very low	37.8	Very low	189 Å²	189	88.9 Å²	88.9	83%	0.829	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.9	21.8	-172	-64.2	-73.1	0	0	0	114.2	T575	T575-F578 HydrophobicContact CG2-CD2 4.09Å; T575-F578 HydrophobicContact CG2-CE2 4.09Å
579	V	36.8	Very low	39.1	Very low	24 Å²	24	94 Å²	94	15%	0.145	50%	0.501	C	S	.	.			trans	-101.4	131.1	-169.7	-171.6	0	0	0	0	112	E565 V583 L584	E565-V579 HydrophobicContact CB-CG1 3.68Å; E565-V579 HydrophobicContact CG-CB 4.32Å; E565-V579 HydrophobicContact CG-CG1 3.19Å; E565-V579 HydrophobicContact CG-CG2 4.4Å; E565-V579 WeakPolarHBondContact OE1-CG1 3.41Å; E565-V579 VanDerWaalsContact OE1-CG2 3.25Å; E565-V579 WeakPolarHBondContact OE1-CG2 3.39Å; E565-V579 WeakPolarHBondContact OE2-CG1 3.48Å; E565-V579 WeakPolarHBondContact OE2-CG2 3.45Å; V579-V583 HydrophobicContact CG1-CB 4.45Å; V579-L584 HydrophobicContact CB-CD1 4.14Å; V579-L584 HydrophobicContact CB-CD2 4.21Å; V579-L584 HydrophobicContact CB-CG 4Å; V579-L584 HydrophobicContact CG1-CD1 4.2Å; V579-L584 HydrophobicContact CG1-CD2 3.86Å; V579-L584 HydrophobicContact CG1-CG 3.54Å; V579-L584 HydrophobicContact CG2-CD2 4.38Å
580	A	34.2	Very low	40.7	Very low	41 Å²	41	94.5 Å²	94.5	34%	0.339	50%	0.503	S	S	.	.			trans	-62.6	123.6	169.4	0	0	0	0	0	110.7	E582 V583	A580-E582 HydrophobicContact CB-CG 4.49Å; A580-E582 PolarHBondContact O-N 3.13Å; A580-V583 HydrophobicContact CB-CG2 4.29Å; A580-V583 PolarHBondContact O-N 3.48Å
581	P	32.2	Very low	42.6	Very low	83 Å²	83	91.6 Å²	91.6	54%	0.539	49%	0.493	S	S	.	.	H	α-helix	trans	-53.2	-29.5	-171.8	-28.1	33.9	0	0	0	115.4	V583 K585	P581-V583 VanDerWaalsContact C-N 3.31Å; P581-V583 PolarHBondContact O-N 2.63Å; P581-K585 WeakPolarHBondContact O-CG 3.08Å; P581-K585 PolarHBondContact O-N 3.17Å; P581-K585 VanDerWaalsContact O-N 3.16Å
582	E	40	Very low	45.2	Very low	127 Å²	127	87.5 Å²	87.5	59%	0.593	47%	0.469	S	S	*	.	H	α-helix	trans	-67.9	-25.5	177.3	64	-87.5	-153.1	0	0	114.1	A580 K585 K586	A580-E582 HydrophobicContact CB-CG 4.49Å; A580-E582 PolarHBondContact O-N 3.13Å; E582-K585 WeakPolarHBondContact O-CB 3.06Å; E582-K586 PolarHBondContact O-N 3.26Å
583	V	36.8	Very low	47.7	Very low	44 Å²	44	85 Å²	85	27%	0.267	45%	0.453	S	S	.	.	H	α-helix	trans	-84.9	-40.6	180	-169	0	0	0	0	111.2	E565 V579 A580 P581 K585 K586 Q587	E565-V583 HydrophobicContact CB-CB 3.89Å; E565-V583 HydrophobicContact CB-CG1 3.48Å; E565-V583 VanDerWaalsContact CB-CG1 3.48Å; E565-V583 HydrophobicContact CB-CG2 4.47Å; E565-V583 HydrophobicContact CG-CB 3.88Å; E565-V583 HydrophobicContact CG-CG1 3.46Å; E565-V583 VanDerWaalsContact CG-CG1 3.46Å; V579-V583 HydrophobicContact CG1-CB 4.45Å; A580-V583 HydrophobicContact CB-CG2 4.29Å; A580-V583 PolarHBondContact O-N 3.48Å; P581-V583 VanDerWaalsContact C-N 3.31Å; P581-V583 PolarHBondContact O-N 2.63Å; V583-K585 PolarHBondContact O-N 3.07Å; V583-K586 PolarHBondContact O-N 3.11Å; V583-K586 VanDerWaalsContact O-N 3.13Å; V583-Q587 PolarHBondContact O-N 3.44Å
584	L	40.3	Very low	50.5	Low	81 Å²	81	79.4 Å²	79.4	42%	0.424	42%	0.415	S	S	.	.	H	α-helix	trans	-54.7	-39.7	166.3	-68.7	175.4	0	0	0	110.9	E565 V579 K586 G588	E565-L584 WeakPolarHBondContact OE1-CD2 3.41Å; V579-L584 HydrophobicContact CB-CD1 4.14Å; V579-L584 HydrophobicContact CB-CD2 4.21Å; V579-L584 HydrophobicContact CB-CG 4Å; V579-L584 HydrophobicContact CG1-CD1 4.2Å; V579-L584 HydrophobicContact CG1-CD2 3.86Å; V579-L584 HydrophobicContact CG1-CG 3.54Å; V579-L584 HydrophobicContact CG2-CD2 4.38Å; L584-K586 PolarHBondContact O-N 3.25Å; L584-G588 PolarHBondContact O-N 3.45Å
585	K	47.5	Very low	53.5	Low	126 Å²	126	68.6 Å²	68.6	55%	0.548	37%	0.373	S	S	.	.	H	α-helix	trans	-60.2	-44.5	177.2	-77.9	172.6	-174	-179.9	0	112.3	P581 E582 V583 Y589	P581-K585 WeakPolarHBondContact O-CG 3.08Å; P581-K585 PolarHBondContact O-N 3.17Å; P581-K585 VanDerWaalsContact O-N 3.16Å; E582-K585 WeakPolarHBondContact O-CB 3.06Å; V583-K585 PolarHBondContact O-N 3.07Å; K585-Y589 WeakPolarHBondContact O-CB 3.3Å; K585-Y589 PolarHBondContact O-N 3.36Å; K585-Y589 VanDerWaalsContact O-N 3.08Å
586	K	51.4	Low	56.2	Low	144 Å²	144	65.7 Å²	65.7	63%	0.626	35%	0.353	S	S	*	.	H	α-helix	trans	-75.9	-35.2	-178.4	-165.5	173.4	-178.9	176	0	113.8	E582 V583 L584 Y589 D590	E582-K586 PolarHBondContact O-N 3.26Å; V583-K586 PolarHBondContact O-N 3.11Å; V583-K586 VanDerWaalsContact O-N 3.13Å; L584-K586 PolarHBondContact O-N 3.25Å; K586-Y589 WeakPolarHBondContact O-CB 3.4Å; K586-Y589 PolarHBondContact O-N 3.41Å; K586-D590 PolarHBondContact O-N 3.19Å
587	Q	52.7	Low	58.9	Low	43 Å²	43	62.6 Å²	62.6	20%	0.201	33%	0.327	C	S	.	.	H	α-helix	trans	-70.7	-45.5	176.2	-72.9	178.7	-1.9	0	0	112.4	R563 V583 Y589 D590 A591	R563-Q587 PolarHBondContact O-NE2 3.29Å; V583-Q587 PolarHBondContact O-N 3.44Å; Q587-Y589 PolarHBondContact O-N 3.03Å; Q587-D590 PolarHBondContact O-N 3.21Å; Q587-A591 PolarHBondContact O-N 2.9Å; Q587-A591 VanDerWaalsContact O-N 3.13Å
588	G	54.5	Low	62	Low	31 Å²	31	55.9 Å²	55.9	32%	0.32	29%	0.291	S	S	.	.	H	α-helix	trans	-58.3	-35.9	171.9	0	0	0	0	0	111.3	L584 A592	L584-G588 PolarHBondContact O-N 3.45Å; G588-A592 WeakPolarHBondContact O-CB 3.3Å; G588-A592 PolarHBondContact O-N 3.25Å
589	Y	65.9	Low	64.6	Low	108 Å²	108	46.9 Å²	46.9	42%	0.424	25%	0.251	S	S	.	.	H	α-helix	trans	-61.8	-52.8	174.5	-174.8	-85	0	0	0	112.7	K585 K586 Q587 A592 C593 P658	K585-Y589 WeakPolarHBondContact O-CB 3.3Å; K585-Y589 PolarHBondContact O-N 3.36Å; K585-Y589 VanDerWaalsContact O-N 3.08Å; K586-Y589 WeakPolarHBondContact O-CB 3.4Å; K586-Y589 PolarHBondContact O-N 3.41Å; Q587-Y589 PolarHBondContact O-N 3.03Å; Y589-A592 CarbonylContact O-C 3.18Å; Y589-A592 WeakPolarHBondContact O-CB 3.42Å; Y589-A592 PolarHBondContact O-N 3.12Å; Y589-C593 VanDerWaalsContact CE1-SG 3.58Å; Y589-C593 PolarHBondContact O-N 3.3Å; Y589-C593 PolarHBondContact O-SG 3.1Å; Y589-P658 HydrophobicContact CD2-CB 4.27Å; Y589-P658 HydrophobicContact CD2-CG 3.66Å; Y589-P658 HydrophobicContact CE2-CG 4Å
590	D	72.3	Confident	67.1	Low	33 Å²	33	45.8 Å²	45.8	18%	0.176	24%	0.244	C	C	.	.	H	α-helix	trans	-63.9	-45.4	-176.8	-78.8	-3	0	0	0	111.9	V530 K586 Q587 A592 C593	V530-D590 HydrophobicContact CG1-CB 4.23Å; V530-D590 WeakPolarHBondContact CG1-O 3.37Å; K586-D590 PolarHBondContact O-N 3.19Å; Q587-D590 PolarHBondContact O-N 3.21Å; D590-A592 VanDerWaalsContact C-N 3.29Å; D590-A592 PolarHBondContact O-N 3.46Å; D590-C593 VanDerWaalsContact O-CB 3.3Å; D590-C593 WeakPolarHBondContact O-CB 3Å; D590-C593 PolarHBondContact O-N 3.47Å; D590-C593 VanDerWaalsContact O-N 3.11Å
591	A	81.8	Confident	69.7	Low	25 Å²	25	43.9 Å²	43.9	21%	0.207	23%	0.229	C	C	.	.	H	α-helix	trans	-64.3	-36.2	175.5	0	0	0	0	0	111.8	H525 V530 Q587 C593 D594 I595	H525-A591 PolarHBondContact CE1-O 3.35Å; V530-A591 HydrophobicContact CG2-CB 4.15Å; Q587-A591 PolarHBondContact O-N 2.9Å; Q587-A591 VanDerWaalsContact O-N 3.13Å; A591-C593 VanDerWaalsContact C-N 3.27Å; A591-C593 PolarHBondContact O-N 3.46Å; A591-D594 PolarHBondContact O-N 3.05Å; A591-I595 PolarHBondContact O-N 3.3Å
592	A	83.7	Confident	72.6	Confident	7 Å²	7	40 Å²	40	6%	0.058	20%	0.203	C	C	.	.	H	α-helix	trans	-69	-22.7	174.5	0	0	0	0	0	112.8	G588 Y589 D590 I595 W596 P658 R661	G588-A592 WeakPolarHBondContact O-CB 3.3Å; G588-A592 PolarHBondContact O-N 3.25Å; Y589-A592 CarbonylContact O-C 3.18Å; Y589-A592 WeakPolarHBondContact O-CB 3.42Å; Y589-A592 PolarHBondContact O-N 3.12Å; D590-A592 VanDerWaalsContact C-N 3.29Å; D590-A592 PolarHBondContact O-N 3.46Å; A592-I595 PolarHBondContact O-N 2.97Å; A592-W596 WeakPolarHBondContact O-CB 3.23Å; A592-W596 PolarHBondContact O-N 2.96Å; A592-P658 HydrophobicContact CB-CB 3.83Å; A592-R661 VanDerWaalsContact C-NH1 3.28Å; A592-R661 VanDerWaalsContact O-CD 3.3Å; A592-R661 WeakPolarHBondContact O-CD 3.25Å; A592-R661 PolarHBondContact O-NH1 3.47Å
593	C	83.3	Confident	75	Confident	37 Å²	37	34 Å²	34	25%	0.25	18%	0.175	C	C	.	.	H	α-helix	trans	-66.6	-38.3	172.4	-69.4	0	0	0	0	112	Y589 D590 A591 I595 W596 S597	Y589-C593 VanDerWaalsContact CE1-SG 3.58Å; Y589-C593 PolarHBondContact O-N 3.3Å; Y589-C593 PolarHBondContact O-SG 3.1Å; D590-C593 VanDerWaalsContact O-CB 3.3Å; D590-C593 WeakPolarHBondContact O-CB 3Å; D590-C593 PolarHBondContact O-N 3.47Å; D590-C593 VanDerWaalsContact O-N 3.11Å; A591-C593 VanDerWaalsContact C-N 3.27Å; A591-C593 PolarHBondContact O-N 3.46Å; C593-I595 VanDerWaalsContact C-N 3.33Å; C593-W596 WeakPolarHBondContact O-CB 3.28Å; C593-W596 PolarHBondContact O-N 3.16Å; C593-S597 PolarHBondContact O-N 3.4Å; C593-S597 PolarHBondContact O-OG 3.26Å
594	D	88.6	Confident	77.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.6	-44.3	173.3	-77	-9.5	0	0	0	110.1	V521 H525 V530 H531 R532 L534 A591 W596 S597 L598	V521-D594 HydrophobicContact CG1-CB 4.22Å; H525-D594 IonicContact CD2-OD2 3.53Å; H525-D594 IonicContact CE1-OD2 2.87Å; H525-D594 IonicContact NE2-OD2 2.77Å; H525-D594 PolarHBondContact NE2-OD2 3.36Å; V530-D594 VanDerWaalsContact CG1-OD2 3.26Å; V530-D594 WeakPolarHBondContact CG1-OD2 3.44Å; H531-D594 PolarHBondContact N-OD2 3.43Å; R532-D594 PolarHBondContact N-OD1 2.8Å; L534-D594 HydrophobicContact CD1-CB 3.64Å; A591-D594 PolarHBondContact O-N 3.05Å; D594-W596 PolarHBondContact O-N 3.19Å; D594-S597 WeakPolarHBondContact O-CB 3.23Å; D594-S597 PolarHBondContact O-N 2.8Å; D594-L598 WeakPolarHBondContact O-CG 3.27Å; D594-L598 PolarHBondContact O-N 3.47Å
595	I	93	Very high	79.8	Confident	2 Å²	2	28 Å²	28	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-65.7	-39.3	178.1	-55.3	-56.9	0	0	0	112.4	A591 A592 C593 S597 L598 G599 M653 R661 L662 A664 V667	A591-I595 PolarHBondContact O-N 3.3Å; A592-I595 PolarHBondContact O-N 2.97Å; C593-I595 VanDerWaalsContact C-N 3.33Å; I595-S597 VanDerWaalsContact C-N 3.3Å; I595-S597 PolarHBondContact O-N 3.47Å; I595-L598 HydrophobicContact CD1-CD1 4.42Å; I595-L598 PolarHBondContact O-N 3.11Å; I595-G599 PolarHBondContact O-N 3.43Å; I595-M653 HydrophobicContact CG2-CB 4.23Å; I595-M653 HydrophobicContact CG2-CE 4.13Å; I595-M653 HydrophobicContact CG2-CG 4.11Å; I595-R661 HydrophobicContact CB-CG 4.49Å; I595-R661 HydrophobicContact CG2-CG 4.1Å; I595-L662 WeakPolarHBondContact CG1-O 3.35Å; I595-L662 WeakPolarHBondContact CG2-O 3.25Å; I595-A664 HydrophobicContact CD1-CB 3.89Å; I595-V667 HydrophobicContact CG2-CG2 4.24Å
596	W	88.6	Confident	81.7	Confident	15 Å²	15	22 Å²	22	6%	0.057	12%	0.116	C	C	.	.	H	α-helix	trans	-57.6	-46.7	173.1	178	-84.2	0	0	0	111.2	A592 C593 D594 L598 G599 V600 F612 I627 L654	A592-W596 WeakPolarHBondContact O-CB 3.23Å; A592-W596 PolarHBondContact O-N 2.96Å; C593-W596 WeakPolarHBondContact O-CB 3.28Å; C593-W596 PolarHBondContact O-N 3.16Å; D594-W596 PolarHBondContact O-N 3.19Å; W596-L598 VanDerWaalsContact C-N 3.32Å; W596-L598 PolarHBondContact O-N 2.92Å; W596-G599 WeakPolarHBondContact O-CA 3.27Å; W596-G599 PolarHBondContact O-N 2.91Å; W596-V600 PolarHBondContact O-N 2.86Å; W596-F612 HydrophobicContact CH2-CE2 4.01Å; W596-F612 AromaticContact CH2-CZ 3.73Å; W596-F612 HydrophobicContact CH2-CZ 3.73Å; W596-F612 HydrophobicContact CZ2-CD2 4.22Å; W596-F612 AromaticContact CZ2-CE2 3.34Å; W596-F612 HydrophobicContact CZ2-CE2 3.34Å; W596-F612 AromaticContact CZ2-CZ 3.56Å; W596-F612 HydrophobicContact CZ2-CZ 3.56Å; W596-I627 HydrophobicContact CH2-CG2 3.91Å; W596-I627 HydrophobicContact CZ2-CB 4.46Å; W596-I627 HydrophobicContact CZ2-CG1 4.24Å; W596-I627 HydrophobicContact CZ2-CG2 3.63Å; W596-L654 HydrophobicContact CD2-CD2 3.95Å; W596-L654 HydrophobicContact CE3-CD2 4.14Å; W596-L654 HydrophobicContact CG-CD2 4.36Å; W596-L654 HydrophobicContact CZ2-CD2 4.42Å; W596-L654 HydrophobicContact CZ3-CB 4.43Å; W596-L654 HydrophobicContact CZ3-CD2 4.5Å; W596-L654 VanDerWaalsContact CZ3-O 3.23Å; W596-L654 WeakPolarHBondContact CZ3-O 3.48Å
597	S	88.9	Confident	83.3	Confident	13 Å²	13	15.2 Å²	15.2	9%	0.091	9%	0.087	C	C	.	.	H	α-helix	trans	-60.8	-41.9	178.8	-56.5	0	0	0	0	111.8	L534 C593 D594 I595 G599 V600 L601 Y701	L534-S597 WeakPolarHBondContact O-CB 2.96Å; C593-S597 PolarHBondContact O-N 3.4Å; C593-S597 PolarHBondContact O-OG 3.26Å; D594-S597 WeakPolarHBondContact O-CB 3.23Å; D594-S597 PolarHBondContact O-N 2.8Å; I595-S597 VanDerWaalsContact C-N 3.3Å; I595-S597 PolarHBondContact O-N 3.47Å; S597-G599 VanDerWaalsContact C-N 3.3Å; S597-G599 PolarHBondContact O-N 3.34Å; S597-V600 PolarHBondContact O-N 3Å; S597-L601 PolarHBondContact O-N 3.23Å; S597-Y701 PolarHBondContact O-OH 2.84Å; S597-Y701 VanDerWaalsContact O-OH 3.07Å
598	L	92.9	Very high	84.6	Confident	1 Å²	1	13.1 Å²	13.1	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-63.8	-34.7	172	-63.5	-176.2	0	0	0	112.5	L514 I517 V521 L534 D594 I595 W596 L601 L602 M653	L514-L598 HydrophobicContact CD1-CB 4.34Å; I517-L598 HydrophobicContact CB-CD2 4.37Å; I517-L598 HydrophobicContact CG2-CD2 3.42Å; I517-L598 VanDerWaalsContact CG2-CD2 3.42Å; V521-L598 HydrophobicContact CG2-CD1 4.29Å; L534-L598 HydrophobicContact CD1-CD2 4.26Å; L534-L598 HydrophobicContact CD1-CG 4.35Å; D594-L598 WeakPolarHBondContact O-CG 3.27Å; D594-L598 PolarHBondContact O-N 3.47Å; I595-L598 HydrophobicContact CD1-CD1 4.42Å; I595-L598 PolarHBondContact O-N 3.11Å; W596-L598 VanDerWaalsContact C-N 3.32Å; W596-L598 PolarHBondContact O-N 2.92Å; L598-L601 PolarHBondContact O-N 2.83Å; L598-L602 WeakPolarHBondContact O-CB 3.38Å; L598-L602 PolarHBondContact O-N 2.69Å; L598-M653 HydrophobicContact CB-CE 3.44Å; L598-M653 VanDerWaalsContact CB-CE 3.44Å
599	G	92	Very high	85.8	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-65.4	-42	175	0	0	0	0	0	112.3	I595 W596 S597 L602 Y603	I595-G599 PolarHBondContact O-N 3.43Å; W596-G599 WeakPolarHBondContact O-CA 3.27Å; W596-G599 PolarHBondContact O-N 2.91Å; S597-G599 VanDerWaalsContact C-N 3.3Å; S597-G599 PolarHBondContact O-N 3.34Å; G599-L602 PolarHBondContact O-N 2.86Å; G599-Y603 WeakPolarHBondContact O-CB 3.17Å; G599-Y603 PolarHBondContact O-N 3.34Å
600	V	88.6	Confident	86.5	Confident	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-63.5	-43.6	174.3	173.2	0	0	0	0	110.5	W596 S597 T604 P611 F612 L654 Y701	W596-V600 PolarHBondContact O-N 2.86Å; S597-V600 PolarHBondContact O-N 3Å; V600-T604 WeakPolarHBondContact O-CB 3.46Å; V600-T604 PolarHBondContact O-N 3.27Å; V600-T604 PolarHBondContact O-OG1 2.82Å; V600-P611 HydrophobicContact CB-CG 4.43Å; V600-P611 HydrophobicContact CG1-CG 4.23Å; V600-P611 HydrophobicContact CG2-CG 4.11Å; V600-F612 HydrophobicContact CG2-CE2 4.3Å; V600-L654 HydrophobicContact CG2-CD2 3.8Å; V600-Y701 HydrophobicContact CG1-CE2 4.35Å
601	L	89.6	Confident	87	Confident	2 Å²	2	8.5 Å²	8.5	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-61	-48.5	174.7	172	56	0	0	0	111.3	L495 I517 P536 I539 S597 L598 Y603 T604 M605	L495-L601 HydrophobicContact CD2-CD1 4.28Å; L495-L601 HydrophobicContact CD2-CD2 3.98Å; I517-L601 HydrophobicContact CD1-CD2 3.82Å; P536-L601 HydrophobicContact CB-CD1 4.49Å; P536-L601 HydrophobicContact CG-CD1 3.82Å; I539-L601 HydrophobicContact CD1-CD2 4.02Å; S597-L601 PolarHBondContact O-N 3.23Å; L598-L601 PolarHBondContact O-N 2.83Å; L601-Y603 PolarHBondContact O-N 2.66Å; L601-T604 PolarHBondContact O-N 3.42Å; L601-M605 HydrophobicContact CD1-CG 3.9Å; L601-M605 HydrophobicContact CD1-SD 4.19Å; L601-M605 HydrophobicContact CG-CE 4.17Å; L601-M605 HydrophobicContact CG-CG 4.45Å; L601-M605 HydrophobicContact CG-SD 4.38Å; L601-M605 WeakPolarHBondContact O-CG 3.34Å; L601-M605 PolarHBondContact O-N 3.39Å
602	L	92.8	Very high	87	Confident	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-59.4	-47.1	178.5	178.5	59.5	0	0	0	111.7	L514 L598 G599 T604 M605 L606 L649 V650 M653 W672	L514-L602 HydrophobicContact CD1-CB 4.44Å; L514-L602 HydrophobicContact CD2-CD1 4.14Å; L514-L602 HydrophobicContact CD2-CD2 3.79Å; L514-L602 HydrophobicContact CD2-CG 4.42Å; L598-L602 WeakPolarHBondContact O-CB 3.38Å; L598-L602 PolarHBondContact O-N 2.69Å; G599-L602 PolarHBondContact O-N 2.86Å; L602-T604 VanDerWaalsContact C-N 3.28Å; L602-T604 PolarHBondContact O-N 3.14Å; L602-M605 HydrophobicContact CD1-CE 4.09Å; L602-M605 PolarHBondContact O-N 3.28Å; L602-L606 HydrophobicContact CD1-CD1 3.92Å; L602-L606 HydrophobicContact CD1-CG 4.06Å; L602-L606 HydrophobicContact CG-CD1 3.96Å; L602-L606 HydrophobicContact CG-CG 4.49Å; L602-L606 VanDerWaalsContact O-CG 3.32Å; L602-L606 WeakPolarHBondContact O-CG 3.41Å; L602-L606 PolarHBondContact O-N 3.29Å; L602-L649 HydrophobicContact CD2-CD2 3.91Å; L602-L649 HydrophobicContact CD2-CG 3.99Å; L602-V650 HydrophobicContact CB-CG2 4.46Å; L602-V650 HydrophobicContact CD2-CG2 3.51Å; L602-V650 HydrophobicContact CG-CG2 3.69Å; L602-M653 HydrophobicContact CD2-SD 4.1Å; L602-W672 HydrophobicContact CD1-CH2 3.57Å; L602-W672 HydrophobicContact CD1-CZ3 3.79Å; L602-W672 HydrophobicContact CD2-CZ3 4.46Å
603	Y	90.8	Very high	86.6	Confident	2 Å²	2	7.4 Å²	7.4	1%	0.008	4%	0.041	C	C	.	.	H	α-helix	trans	-52.7	-50	174.6	-171.7	-72.8	0	0	0	110.6	G599 L601 M605 L606 T607 F609 P611 F632 S633 L634 W639 V650 L654	G599-Y603 WeakPolarHBondContact O-CB 3.17Å; G599-Y603 PolarHBondContact O-N 3.34Å; L601-Y603 PolarHBondContact O-N 2.66Å; Y603-M605 PolarHBondContact O-N 2.62Å; Y603-L606 PolarHBondContact O-N 2.89Å; Y603-T607 HydrophobicContact CD1-CG2 4.41Å; Y603-T607 HydrophobicContact CE1-CG2 4.15Å; Y603-T607 PolarHBondContact O-N 3.42Å; Y603-T607 PolarHBondContact O-OG1 2.86Å; Y603-F609 WeakPolarHBondContact CD1-O 3Å; Y603-F609 AromaticContact CE1-CD2 3.64Å; Y603-F609 HydrophobicContact CE1-CD2 3.64Å; Y603-F609 AromaticContact CE1-CE2 3.37Å; Y603-F609 HydrophobicContact CE1-CE2 3.37Å; Y603-F609 HydrophobicContact CE1-CG 4.37Å; Y603-F609 AromaticContact CE1-CZ 3.89Å; Y603-F609 HydrophobicContact CE1-CZ 3.89Å; Y603-F609 WeakPolarHBondContact CE1-O 3.21Å; Y603-F609 AromaticContact CZ-CE2 3.59Å; Y603-F609 AromaticContact CZ-CZ 3.97Å; Y603-F609 WeakPolarHBondContact OH-CE2 3.29Å; Y603-F609 VanDerWaalsContact OH-CZ 3.28Å; Y603-F609 WeakPolarHBondContact OH-CZ 3.46Å; Y603-P611 HydrophobicContact CD1-CB 3.91Å; Y603-P611 HydrophobicContact CD1-CG 4.13Å; Y603-P611 HydrophobicContact CD2-CB 3.74Å; Y603-P611 HydrophobicContact CD2-CG 4.33Å; Y603-P611 HydrophobicContact CE1-CB 4.05Å; Y603-P611 HydrophobicContact CE2-CB 3.89Å; Y603-P611 HydrophobicContact CG-CB 3.78Å; Y603-P611 HydrophobicContact CG-CG 3.96Å; Y603-F632 HydrophobicContact CD2-CD2 4.17Å; Y603-F632 HydrophobicContact CD2-CE2 4.48Å; Y603-F632 AromaticContact CE2-CD2 3.75Å; Y603-F632 HydrophobicContact CE2-CD2 3.75Å; Y603-F632 HydrophobicContact CE2-CE2 4.4Å; Y603-S633 WeakPolarHBondContact CE2-O 3.33Å; Y603-S633 PolarHBondContact OH-O 3.03Å; Y603-L634 HydrophobicContact CD2-CD2 4.49Å; Y603-L634 HydrophobicContact CE2-CD2 4.17Å; Y603-W639 HydrophobicContact CD1-CZ2 4.39Å; Y603-W639 HydrophobicContact CD2-CH2 4.14Å; Y603-W639 AromaticContact CD2-CZ2 3.49Å; Y603-W639 HydrophobicContact CD2-CZ2 3.49Å; Y603-W639 VanDerWaalsContact CD2-CZ2 3.49Å; Y603-W639 HydrophobicContact CE1-CZ2 4.22Å; Y603-W639 AromaticContact CE2-CE2 3.83Å; Y603-W639 HydrophobicContact CE2-CH2 4.26Å; Y603-W639 AromaticContact CE2-CZ2 3.26Å; Y603-W639 HydrophobicContact CE2-CZ2 3.26Å; Y603-W639 AromaticContact CE2-NE1 3.9Å; Y603-W639 HydrophobicContact CG-CZ2 4.03Å; Y603-W639 AromaticContact CZ-CE2 3.91Å; Y603-W639 AromaticContact CZ-CZ2 3.64Å; Y603-W639 AromaticContact CZ-NE1 3.57Å; Y603-W639 PolarHBondContact OH-NE1 2.79Å; Y603-W639 VanDerWaalsContact OH-NE1 3.09Å; Y603-V650 HydrophobicContact CD2-CG1 3.8Å; Y603-L654 HydrophobicContact CD2-CD1 4.27Å
604	T	87.4	Confident	86	Confident	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-67.4	-34.7	-177.7	-49.7	0	0	0	0	112.8	L496 V600 L601 L602 G608 F609 R686 V693 M697	L496-T604 HydrophobicContact CD1-CG2 4.07Å; L496-T604 HydrophobicContact CD2-CG2 3.85Å; V600-T604 WeakPolarHBondContact O-CB 3.46Å; V600-T604 PolarHBondContact O-N 3.27Å; V600-T604 PolarHBondContact O-OG1 2.82Å; L601-T604 PolarHBondContact O-N 3.42Å; L602-T604 VanDerWaalsContact C-N 3.28Å; L602-T604 PolarHBondContact O-N 3.14Å; T604-G608 VanDerWaalsContact O-CA 3.26Å; T604-G608 WeakPolarHBondContact O-CA 3.35Å; T604-G608 PolarHBondContact O-N 3.49Å; T604-F609 WeakPolarHBondContact CA-O 3.28Å; T604-R686 PolarHBondContact O-NH2 2.94Å; T604-R686 VanDerWaalsContact O-NH2 3.1Å; T604-V693 HydrophobicContact CG2-CG1 3.59Å; T604-M697 HydrophobicContact CG2-SD 4.34Å
605	M	88.6	Confident	85.2	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.9	-42.2	173.7	-76.3	-166.1	-57.5	0	0	111.6	I499 F505 A510 V513 L514 L601 L602 Y603 R686	I499-M605 HydrophobicContact CD1-CG 4.03Å; I499-M605 HydrophobicContact CD1-SD 3.62Å; F505-M605 HydrophobicContact CE1-CB 4.06Å; F505-M605 HydrophobicContact CE1-CG 4.5Å; F505-M605 HydrophobicContact CZ-SD 4.39Å; A510-M605 HydrophobicContact CB-CB 4.45Å; V513-M605 HydrophobicContact CB-SD 4.18Å; V513-M605 HydrophobicContact CG1-CE 4.2Å; V513-M605 HydrophobicContact CG1-SD 3.67Å; L514-M605 HydrophobicContact CB-CE 4.47Å; L601-M605 HydrophobicContact CD1-CG 3.9Å; L601-M605 HydrophobicContact CD1-SD 4.19Å; L601-M605 HydrophobicContact CG-CE 4.17Å; L601-M605 HydrophobicContact CG-CG 4.45Å; L601-M605 HydrophobicContact CG-SD 4.38Å; L601-M605 WeakPolarHBondContact O-CG 3.34Å; L601-M605 PolarHBondContact O-N 3.39Å; L602-M605 HydrophobicContact CD1-CE 4.09Å; L602-M605 PolarHBondContact O-N 3.28Å; Y603-M605 PolarHBondContact O-N 2.62Å; M605-R686 PolarHBondContact O-NE 2.87Å; M605-R686 PolarHBondContact O-NH2 3.24Å
606	L	88.7	Confident	84.2	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-72.9	-34.2	-177.3	-69	171.6	0	0	0	113.1	E507 A510 L602 Y603 W639 V642 A646 V650 W672 L684	E507-L606 HydrophobicContact CG-CD2 3.96Å; A510-L606 HydrophobicContact CB-CD2 4.23Å; L602-L606 HydrophobicContact CD1-CD1 3.92Å; L602-L606 HydrophobicContact CD1-CG 4.06Å; L602-L606 HydrophobicContact CG-CD1 3.96Å; L602-L606 HydrophobicContact CG-CG 4.49Å; L602-L606 VanDerWaalsContact O-CG 3.32Å; L602-L606 WeakPolarHBondContact O-CG 3.41Å; L602-L606 PolarHBondContact O-N 3.29Å; Y603-L606 PolarHBondContact O-N 2.89Å; L606-W639 HydrophobicContact CB-CH2 4.44Å; L606-W639 HydrophobicContact CD1-CH2 4.1Å; L606-W639 HydrophobicContact CD1-CZ3 4.24Å; L606-V642 HydrophobicContact CB-CG2 4.47Å; L606-V642 HydrophobicContact CD1-CG1 4.24Å; L606-V642 HydrophobicContact CD2-CG1 4.41Å; L606-A646 HydrophobicContact CD1-CB 4.1Å; L606-V650 HydrophobicContact CD1-CG2 3.83Å; L606-W672 HydrophobicContact CD2-CZ2 4.13Å; L606-L684 HydrophobicContact CD2-CD1 4.18Å
607	T	84.5	Confident	83.6	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-116.1	-21.5	-169.1	68.4	0	0	0	0	114.7	Y603 F609 W639	Y603-T607 HydrophobicContact CD1-CG2 4.41Å; Y603-T607 HydrophobicContact CE1-CG2 4.15Å; Y603-T607 PolarHBondContact O-N 3.42Å; Y603-T607 PolarHBondContact O-OG1 2.86Å; T607-F609 VanDerWaalsContact C-N 3.3Å; T607-F609 VanDerWaalsContact CB-CD1 3.42Å; T607-F609 HydrophobicContact CG2-CD1 4.46Å; T607-F609 HydrophobicContact CG2-CE1 3.87Å; T607-F609 HydrophobicContact CG2-CZ 4.12Å; T607-F609 VanDerWaalsContact OG1-CD1 3.25Å; T607-F609 WeakPolarHBondContact OG1-CD1 3.39Å; T607-F609 WeakPolarHBondContact OG1-CE1 3.26Å; T607-F609 PolarHBondContact OG1-N 3.42Å; T607-F609 VanDerWaalsContact OG1-N 3.12Å; T607-F609 PolarHBondContact OG1-O 2.99Å; T607-F609 VanDerWaalsContact OG1-O 3.11Å; T607-W639 HydrophobicContact CG2-CD2 4Å; T607-W639 HydrophobicContact CG2-CG 4.47Å; T607-W639 HydrophobicContact CG2-CH2 4.04Å; T607-W639 HydrophobicContact CG2-CZ2 3.24Å
608	G	80.3	Confident	83	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	74.5	14	-170.4	0	0	0	0	0	114.5	T604 V693	T604-G608 VanDerWaalsContact O-CA 3.26Å; T604-G608 WeakPolarHBondContact O-CA 3.35Å; T604-G608 PolarHBondContact O-N 3.49Å; G608-V693 WeakPolarHBondContact O-CG2 3.25Å
609	F	78.9	Confident	82.2	Confident	55 Å²	55	25.3 Å²	25.3	24%	0.241	14%	0.143	C	C	.	.	S	Bend	trans	-139.1	161.5	171.2	63.4	-88.7	0	0	0	111	Y603 T604 T607 Y638 W639	Y603-F609 WeakPolarHBondContact CD1-O 3Å; Y603-F609 AromaticContact CE1-CD2 3.64Å; Y603-F609 HydrophobicContact CE1-CD2 3.64Å; Y603-F609 AromaticContact CE1-CE2 3.37Å; Y603-F609 HydrophobicContact CE1-CE2 3.37Å; Y603-F609 HydrophobicContact CE1-CG 4.37Å; Y603-F609 AromaticContact CE1-CZ 3.89Å; Y603-F609 HydrophobicContact CE1-CZ 3.89Å; Y603-F609 WeakPolarHBondContact CE1-O 3.21Å; Y603-F609 AromaticContact CZ-CE2 3.59Å; Y603-F609 AromaticContact CZ-CZ 3.97Å; Y603-F609 WeakPolarHBondContact OH-CE2 3.29Å; Y603-F609 VanDerWaalsContact OH-CZ 3.28Å; Y603-F609 WeakPolarHBondContact OH-CZ 3.46Å; T604-F609 WeakPolarHBondContact CA-O 3.28Å; T607-F609 VanDerWaalsContact C-N 3.3Å; T607-F609 VanDerWaalsContact CB-CD1 3.42Å; T607-F609 HydrophobicContact CG2-CD1 4.46Å; T607-F609 HydrophobicContact CG2-CE1 3.87Å; T607-F609 HydrophobicContact CG2-CZ 4.12Å; T607-F609 VanDerWaalsContact OG1-CD1 3.25Å; T607-F609 WeakPolarHBondContact OG1-CD1 3.39Å; T607-F609 WeakPolarHBondContact OG1-CE1 3.26Å; T607-F609 PolarHBondContact OG1-N 3.42Å; T607-F609 VanDerWaalsContact OG1-N 3.12Å; T607-F609 PolarHBondContact OG1-O 2.99Å; T607-F609 VanDerWaalsContact OG1-O 3.11Å; F609-Y638 HydrophobicContact CD1-CD2 4Å; F609-Y638 HydrophobicContact CD1-CE2 4.49Å; F609-Y638 AromaticContact CE1-CD2 3.65Å; F609-Y638 HydrophobicContact CE1-CD2 3.65Å; F609-Y638 HydrophobicContact CE1-CE2 4.5Å; F609-Y638 HydrophobicContact CE1-CG 4.36Å; F609-W639 AromaticContact CZ-NE1 3.82Å
610	T	81.8	Confident	81.1	Confident	5 Å²	5	26.6 Å²	26.6	3%	0.031	15%	0.151	C	C	.	.			trans	-85.7	149.9	-179	80	0	0	0	0	111.2	F612 A613 A696 M697	T610-F612 VanDerWaalsContact C-N 3.31Å; T610-F612 PolarHBondContact O-N 2.94Å; T610-A613 WeakPolarHBondContact OG1-CB 3.29Å; T610-A613 PolarHBondContact OG1-N 3.43Å; T610-A613 VanDerWaalsContact OG1-N 3.14Å; T610-A613 PolarHBondContact OG1-O 3.33Å; T610-A696 HydrophobicContact CG2-CB 4.06Å; T610-M697 HydrophobicContact CG2-CB 3.72Å; T610-M697 HydrophobicContact CG2-CG 4.25Å
611	P	82.4	Confident	80.3	Confident	14 Å²	14	31.9 Å²	31.9	9%	0.091	18%	0.176	C	C	.	.	S	Bend	trans	-68.7	-24.3	-176	20.6	-28.4	0	0	0	114.9	V600 Y603 F632 L654	V600-P611 HydrophobicContact CB-CG 4.43Å; V600-P611 HydrophobicContact CG1-CG 4.23Å; V600-P611 HydrophobicContact CG2-CG 4.11Å; Y603-P611 HydrophobicContact CD1-CB 3.91Å; Y603-P611 HydrophobicContact CD1-CG 4.13Å; Y603-P611 HydrophobicContact CD2-CB 3.74Å; Y603-P611 HydrophobicContact CD2-CG 4.33Å; Y603-P611 HydrophobicContact CE1-CB 4.05Å; Y603-P611 HydrophobicContact CE2-CB 3.89Å; Y603-P611 HydrophobicContact CG-CB 3.78Å; Y603-P611 HydrophobicContact CG-CG 3.96Å; P611-F632 HydrophobicContact CB-CB 4.15Å; P611-F632 HydrophobicContact CB-CG 4.46Å; P611-L654 HydrophobicContact CB-CD1 4.23Å; P611-L654 HydrophobicContact CG-CD1 4.15Å
612	F	81	Confident	79.6	Confident	3 Å²	3	35.9 Å²	35.9	1%	0.013	20%	0.195	C	C	.	.	S	Bend	trans	-126.4	-19.1	-168.3	-53.6	-67.1	0	0	0	114.7	W596 V600 T610 I623 R626 I627 F632 L654	W596-F612 HydrophobicContact CH2-CE2 4.01Å; W596-F612 AromaticContact CH2-CZ 3.73Å; W596-F612 HydrophobicContact CH2-CZ 3.73Å; W596-F612 HydrophobicContact CZ2-CD2 4.22Å; W596-F612 AromaticContact CZ2-CE2 3.34Å; W596-F612 HydrophobicContact CZ2-CE2 3.34Å; W596-F612 AromaticContact CZ2-CZ 3.56Å; W596-F612 HydrophobicContact CZ2-CZ 3.56Å; V600-F612 HydrophobicContact CG2-CE2 4.3Å; T610-F612 VanDerWaalsContact C-N 3.31Å; T610-F612 PolarHBondContact O-N 2.94Å; F612-I623 HydrophobicContact CB-CG2 4.25Å; F612-R626 VanDerWaalsContact O-CD 3.28Å; F612-R626 WeakPolarHBondContact O-CD 3.4Å; F612-R626 PolarHBondContact O-NH1 3.47Å; F612-I627 HydrophobicContact CB-CG1 3.95Å; F612-I627 HydrophobicContact CD1-CG1 3.97Å; F612-I627 HydrophobicContact CD2-CD1 4.44Å; F612-I627 HydrophobicContact CD2-CG1 3.75Å; F612-I627 HydrophobicContact CE1-CG1 4.43Å; F612-I627 HydrophobicContact CE2-CG1 4.26Å; F612-I627 HydrophobicContact CG-CG1 3.61Å; F612-F632 HydrophobicContact CD1-CB 4.5Å; F612-F632 HydrophobicContact CE1-CB 4Å; F612-F632 AromaticContact CE1-CD1 3.81Å; F612-F632 HydrophobicContact CE1-CD1 3.81Å; F612-F632 HydrophobicContact CE1-CG 4.27Å; F612-F632 AromaticContact CZ-CD1 3.88Å; F612-F632 HydrophobicContact CZ-CD1 3.88Å; F612-F632 HydrophobicContact CZ-CE1 4.48Å; F612-F632 HydrophobicContact CZ-CG 4.44Å; F612-L654 HydrophobicContact CE2-CD2 4.37Å; F612-L654 HydrophobicContact CZ-CD1 4.5Å
613	A	75.6	Confident	78.6	Confident	6 Å²	6	35.9 Å²	35.9	5%	0.05	20%	0.195	C	C	.	.			trans	-107.4	130.2	174.8	0	0	0	0	0	111	T610 D618 I623 A696 T700	T610-A613 WeakPolarHBondContact OG1-CB 3.29Å; T610-A613 PolarHBondContact OG1-N 3.43Å; T610-A613 VanDerWaalsContact OG1-N 3.14Å; T610-A613 PolarHBondContact OG1-O 3.33Å; A613-D618 WeakPolarHBondContact CA-OD2 3.1Å; A613-I623 HydrophobicContact CB-CD1 4.03Å; A613-I623 HydrophobicContact CB-CG1 4.24Å; A613-A696 HydrophobicContact CB-CB 3.87Å; A613-A696 WeakPolarHBondContact CB-O 3.28Å; A613-T700 WeakPolarHBondContact CB-OG1 3.31Å
614	N	71.7	Confident	77.5	Confident	137 Å²	137	39.1 Å²	39.1	73%	0.733	21%	0.212	S	C	*	.	S	Bend	trans	-84	-17.7	175.7	-64.1	-35.3	0	0	0	112	D618 R626	N614-D618 PolarHBondContact N-OD2 2.78Å; N614-R626 VanDerWaalsContact ND2-CZ 3.32Å; N614-R626 PolarHBondContact ND2-NH1 3.4Å; N614-R626 PolarHBondContact ND2-NH2 2.9Å
615	G	71.3	Confident	76.6	Confident	14 Å²	14	42.3 Å²	42.3	14%	0.144	24%	0.238	C	C	.	.	S	Bend	trans	-179.2	176.9	-180	0	0	0	0	0	113.2	D617	G615-D617 PolarHBondContact O-N 3Å
616	P	71.5	Confident	76	Confident	57 Å²	57	45.5 Å²	45.5	37%	0.37	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.7	177.1	25.3	-32.9	0	0	0	114.2	L692	P616-L692 HydrophobicContact CG-CD2 4.47Å
617	D	76.6	Confident	75.2	Confident	152 Å²	152	46.5 Å²	46.5	81%	0.813	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-4.6	-175	-56.1	-48.7	0	0	0	113.6	G615 T619	G615-D617 PolarHBondContact O-N 3Å; D617-T619 PolarHBondContact O-N 2.92Å
618	D	75.3	Confident	74.3	Confident	26 Å²	26	49.2 Å²	49.2	14%	0.139	28%	0.283	C	S	.	.			trans	-61	134.7	174.6	-88.6	-31.8	0	0	0	110.3	A613 N614 I623 R626	A613-D618 WeakPolarHBondContact CA-OD2 3.1Å; N614-D618 PolarHBondContact N-OD2 2.78Å; D618-I623 HydrophobicContact CB-CD1 3.9Å; D618-I623 HydrophobicContact CB-CG1 3.85Å; D618-R626 VanDerWaalsContact CG-NH1 3.28Å; D618-R626 IonicContact OD1-CZ 2.75Å; D618-R626 IonicContact OD1-NH1 3.47Å; D618-R626 PolarHBondContact OD1-NH1 2.9Å; D618-R626 IonicContact OD1-NH2 3.19Å; D618-R626 PolarHBondContact OD1-NH2 2.95Å; D618-R626 IonicContact OD2-CZ 3.95Å; D618-R626 IonicContact OD2-NH1 3.82Å; D618-R626 PolarHBondContact OD2-NH1 3.48Å; D618-R626 IonicContact OD2-NH2 3.52Å
619	T	77.1	Confident	73.9	Confident	58 Å²	58	52.2 Å²	52.2	36%	0.356	31%	0.305	S	S	.	.			trans	-73.6	148.2	176.3	62.6	0	0	0	0	110.8	D617 E621 E622 I623	D617-T619 PolarHBondContact O-N 2.92Å; T619-E621 PolarHBondContact O-N 3.05Å; T619-E621 VanDerWaalsContact O-N 3.16Å; T619-E622 WeakPolarHBondContact CB-OE2 3.47Å; T619-E622 PolarHBondContact N-OE2 2.83Å; T619-E622 PolarHBondContact O-N 3.15Å; T619-E622 VanDerWaalsContact O-N 3.13Å; T619-E622 WeakPolarHBondContact OG1-CB 3.37Å; T619-E622 WeakPolarHBondContact OG1-CG 3.32Å; T619-E622 PolarHBondContact OG1-N 3.43Å; T619-E622 PolarHBondContact OG1-OE2 3.03Å; T619-I623 WeakPolarHBondContact O-CG1 3.15Å; T619-I623 PolarHBondContact O-N 3.24Å; T619-I623 VanDerWaalsContact O-N 3.11Å
620	P	69.9	Low	73.3	Confident	28 Å²	28	50.8 Å²	50.8	18%	0.182	31%	0.305	C	S	.	.	H	α-helix	trans	-53.1	-35.7	175.1	-29.7	37.7	0	0	0	113.5	I623 L624 A703	P620-I623 PolarHBondContact O-N 3.36Å; P620-L624 WeakPolarHBondContact O-CB 3.4Å; P620-L624 WeakPolarHBondContact O-CG 3.42Å; P620-L624 PolarHBondContact O-N 3.43Å; P620-A703 HydrophobicContact CB-CB 3.82Å
621	E	71.1	Confident	72.7	Confident	110 Å²	110	58.7 Å²	58.7	51%	0.514	34%	0.339	S	S	.	.	H	α-helix	trans	-67	-41.1	-179.9	-63.9	69.6	-150.1	0	0	111.7	T619 L624 A625 R706	T619-E621 PolarHBondContact O-N 3.05Å; T619-E621 VanDerWaalsContact O-N 3.16Å; E621-L624 PolarHBondContact O-N 2.92Å; E621-A625 WeakPolarHBondContact O-CB 3.23Å; E621-A625 PolarHBondContact O-N 3.09Å; E621-R706 IonicContact OE1-NH1 2.69Å; E621-R706 PolarHBondContact OE1-NH1 3.37Å
622	E	74.9	Confident	72.7	Confident	86 Å²	86	60 Å²	60	40%	0.402	34%	0.344	S	S	.	.	H	α-helix	trans	-66	-41.9	174.8	-72.3	162.9	148.6	0	0	111.9	T619 A625 R626	T619-E622 WeakPolarHBondContact CB-OE2 3.47Å; T619-E622 PolarHBondContact N-OE2 2.83Å; T619-E622 PolarHBondContact O-N 3.15Å; T619-E622 VanDerWaalsContact O-N 3.13Å; T619-E622 WeakPolarHBondContact OG1-CB 3.37Å; T619-E622 WeakPolarHBondContact OG1-CG 3.32Å; T619-E622 PolarHBondContact OG1-N 3.43Å; T619-E622 PolarHBondContact OG1-OE2 3.03Å; E622-A625 PolarHBondContact O-N 2.86Å; E622-R626 WeakPolarHBondContact O-CG 3.48Å; E622-R626 PolarHBondContact O-N 3.44Å; E622-R626 VanDerWaalsContact O-N 3.07Å
623	I	70.9	Confident	72.7	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-64.3	-46.3	177.3	-62.7	170.6	0	0	0	110.1	F612 A613 D618 T619 P620 A625 R626 I627 A699 T700 A703	F612-I623 HydrophobicContact CB-CG2 4.25Å; A613-I623 HydrophobicContact CB-CD1 4.03Å; A613-I623 HydrophobicContact CB-CG1 4.24Å; D618-I623 HydrophobicContact CB-CD1 3.9Å; D618-I623 HydrophobicContact CB-CG1 3.85Å; T619-I623 WeakPolarHBondContact O-CG1 3.15Å; T619-I623 PolarHBondContact O-N 3.24Å; T619-I623 VanDerWaalsContact O-N 3.11Å; P620-I623 PolarHBondContact O-N 3.36Å; I623-A625 VanDerWaalsContact C-N 3.32Å; I623-A625 PolarHBondContact O-N 3.34Å; I623-R626 PolarHBondContact O-N 3.32Å; I623-I627 HydrophobicContact CG2-CD1 3.84Å; I623-I627 HydrophobicContact CG2-CG1 4.47Å; I623-I627 VanDerWaalsContact O-CG1 3.31Å; I623-I627 WeakPolarHBondContact O-CG1 3.27Å; I623-I627 PolarHBondContact O-N 2.73Å; I623-A699 HydrophobicContact CD1-CB 3.78Å; I623-T700 HydrophobicContact CG2-CG2 4.38Å; I623-A703 HydrophobicContact CB-CB 4.23Å; I623-A703 HydrophobicContact CG2-CB 4.18Å
624	L	67.6	Low	73.1	Confident	70 Å²	70	64 Å²	64	37%	0.366	37%	0.368	S	S	.	.	H	α-helix	trans	-62.8	-37.6	177.1	-73.9	170.6	0	0	0	112.1	P620 E621 I627 G628 A703	P620-L624 WeakPolarHBondContact O-CB 3.4Å; P620-L624 WeakPolarHBondContact O-CG 3.42Å; P620-L624 PolarHBondContact O-N 3.43Å; E621-L624 PolarHBondContact O-N 2.92Å; L624-I627 HydrophobicContact CD2-CD1 4.49Å; L624-I627 PolarHBondContact O-N 3.29Å; L624-G628 PolarHBondContact O-N 3.42Å; L624-A703 HydrophobicContact CG-CB 4.25Å
625	A	69.8	Low	73.6	Confident	68 Å²	68	62.6 Å²	62.6	56%	0.562	37%	0.365	S	S	*	.	H	α-helix	trans	-62.9	-41.5	174.8	0	0	0	0	0	111.9	E621 E622 I623 G628 S629	E621-A625 WeakPolarHBondContact O-CB 3.23Å; E621-A625 PolarHBondContact O-N 3.09Å; E622-A625 PolarHBondContact O-N 2.86Å; I623-A625 VanDerWaalsContact C-N 3.32Å; I623-A625 PolarHBondContact O-N 3.34Å; A625-G628 PolarHBondContact O-N 2.89Å; A625-S629 WeakPolarHBondContact O-CB 3.46Å; A625-S629 PolarHBondContact O-N 3.38Å
626	R	75.8	Confident	73.9	Confident	66 Å²	66	63.8 Å²	63.8	25%	0.249	38%	0.377	C	S	.	.	H	α-helix	trans	-67	-42.6	175.9	-67.4	175.9	-156.1	140.4	3.4	111.7	F612 N614 D618 E622 I623 S629 G630	F612-R626 VanDerWaalsContact O-CD 3.28Å; F612-R626 WeakPolarHBondContact O-CD 3.4Å; F612-R626 PolarHBondContact O-NH1 3.47Å; N614-R626 VanDerWaalsContact ND2-CZ 3.32Å; N614-R626 PolarHBondContact ND2-NH1 3.4Å; N614-R626 PolarHBondContact ND2-NH2 2.9Å; D618-R626 VanDerWaalsContact CG-NH1 3.28Å; D618-R626 IonicContact OD1-CZ 2.75Å; D618-R626 IonicContact OD1-NH1 3.47Å; D618-R626 PolarHBondContact OD1-NH1 2.9Å; D618-R626 IonicContact OD1-NH2 3.19Å; D618-R626 PolarHBondContact OD1-NH2 2.95Å; D618-R626 IonicContact OD2-CZ 3.95Å; D618-R626 IonicContact OD2-NH1 3.82Å; D618-R626 PolarHBondContact OD2-NH1 3.48Å; D618-R626 IonicContact OD2-NH2 3.52Å; E622-R626 WeakPolarHBondContact O-CG 3.48Å; E622-R626 PolarHBondContact O-N 3.44Å; E622-R626 VanDerWaalsContact O-N 3.07Å; I623-R626 PolarHBondContact O-N 3.32Å; R626-S629 PolarHBondContact O-N 2.96Å; R626-S629 PolarHBondContact O-OG 3.02Å; R626-G630 PolarHBondContact O-N 3.08Å
627	I	72.4	Confident	74.5	Confident	21 Å²	21	63.7 Å²	63.7	11%	0.108	39%	0.387	C	S	.	.	H	α-helix	trans	-58.1	-50.3	173.4	-69.3	166	0	0	0	110.6	W596 F612 I623 L624 S629 G630 L704	W596-I627 HydrophobicContact CH2-CG2 3.91Å; W596-I627 HydrophobicContact CZ2-CB 4.46Å; W596-I627 HydrophobicContact CZ2-CG1 4.24Å; W596-I627 HydrophobicContact CZ2-CG2 3.63Å; F612-I627 HydrophobicContact CB-CG1 3.95Å; F612-I627 HydrophobicContact CD1-CG1 3.97Å; F612-I627 HydrophobicContact CD2-CD1 4.44Å; F612-I627 HydrophobicContact CD2-CG1 3.75Å; F612-I627 HydrophobicContact CE1-CG1 4.43Å; F612-I627 HydrophobicContact CE2-CG1 4.26Å; F612-I627 HydrophobicContact CG-CG1 3.61Å; I623-I627 HydrophobicContact CG2-CD1 3.84Å; I623-I627 HydrophobicContact CG2-CG1 4.47Å; I623-I627 VanDerWaalsContact O-CG1 3.31Å; I623-I627 WeakPolarHBondContact O-CG1 3.27Å; I623-I627 PolarHBondContact O-N 2.73Å; L624-I627 HydrophobicContact CD2-CD1 4.49Å; L624-I627 PolarHBondContact O-N 3.29Å; I627-S629 PolarHBondContact O-N 2.88Å; I627-G630 PolarHBondContact O-N 2.84Å; I627-L704 HydrophobicContact CD1-CD2 3.9Å; I627-L704 HydrophobicContact CD1-CG 4.28Å
628	G	63.8	Low	74.6	Confident	57 Å²	57	59.9 Å²	59.9	59%	0.588	36%	0.362	S	S	*	.	H	α-helix	trans	-64.2	-27.9	-179.6	0	0	0	0	0	113.6	L624 A625 G630	L624-G628 PolarHBondContact O-N 3.42Å; A625-G628 PolarHBondContact O-N 2.89Å; G628-G630 VanDerWaalsContact C-N 3.26Å; G628-G630 PolarHBondContact O-N 3.23Å
629	S	73.6	Confident	75.2	Confident	64 Å²	64	58.7 Å²	58.7	45%	0.448	36%	0.355	S	S	.	.	H	α-helix	trans	-71.5	-20.2	173.2	82.2	0	0	0	0	113.6	A625 R626 I627 K631	A625-S629 WeakPolarHBondContact O-CB 3.46Å; A625-S629 PolarHBondContact O-N 3.38Å; R626-S629 PolarHBondContact O-N 2.96Å; R626-S629 PolarHBondContact O-OG 3.02Å; I627-S629 PolarHBondContact O-N 2.88Å; S629-K631 PolarHBondContact O-N 2.78Å; S629-K631 VanDerWaalsContact O-N 3.16Å; S629-K631 PolarHBondContact OG-N 3.08Å
630	G	65.1	Low	75.5	Confident	25 Å²	25	61.9 Å²	61.9	26%	0.258	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	5.7	-175.2	0	0	0	0	0	115.4	R626 I627 G628	R626-G630 PolarHBondContact O-N 3.08Å; I627-G630 PolarHBondContact O-N 2.84Å; G628-G630 VanDerWaalsContact C-N 3.26Å; G628-G630 PolarHBondContact O-N 3.23Å
631	K	69.6	Low	76.2	Confident	171 Å²	171	62.4 Å²	62.4	74%	0.743	37%	0.374	S	S	*	.			trans	-94.1	112.6	-175.9	-65.1	-176.6	-177.7	-179.8	0	110.4	S629	S629-K631 PolarHBondContact O-N 2.78Å; S629-K631 VanDerWaalsContact O-N 3.16Å; S629-K631 PolarHBondContact OG-N 3.08Å
632	F	81.6	Confident	77.1	Confident	42 Å²	42	57.5 Å²	57.5	18%	0.184	35%	0.352	C	S	.	.			trans	-135.1	151.8	166	58.3	-87.7	0	0	0	108.9	Y603 P611 F612 L634 V650 L654	Y603-F632 HydrophobicContact CD2-CD2 4.17Å; Y603-F632 HydrophobicContact CD2-CE2 4.48Å; Y603-F632 AromaticContact CE2-CD2 3.75Å; Y603-F632 HydrophobicContact CE2-CD2 3.75Å; Y603-F632 HydrophobicContact CE2-CE2 4.4Å; P611-F632 HydrophobicContact CB-CB 4.15Å; P611-F632 HydrophobicContact CB-CG 4.46Å; F612-F632 HydrophobicContact CD1-CB 4.5Å; F612-F632 HydrophobicContact CE1-CB 4Å; F612-F632 AromaticContact CE1-CD1 3.81Å; F612-F632 HydrophobicContact CE1-CD1 3.81Å; F612-F632 HydrophobicContact CE1-CG 4.27Å; F612-F632 AromaticContact CZ-CD1 3.88Å; F612-F632 HydrophobicContact CZ-CD1 3.88Å; F612-F632 HydrophobicContact CZ-CE1 4.48Å; F612-F632 HydrophobicContact CZ-CG 4.44Å; F632-L634 HydrophobicContact CD2-CD2 4.13Å; F632-L634 HydrophobicContact CD2-CG 4.02Å; F632-L634 HydrophobicContact CE2-CD1 3.83Å; F632-L634 HydrophobicContact CE2-CD2 3.76Å; F632-L634 HydrophobicContact CE2-CG 3.67Å; F632-V650 HydrophobicContact CE2-CG1 4.1Å; F632-L654 HydrophobicContact CD2-CD1 4.49Å; F632-L654 HydrophobicContact CE1-CB 3.72Å; F632-L654 HydrophobicContact CE1-CD1 4.27Å; F632-L654 HydrophobicContact CE2-CD1 4.08Å; F632-L654 HydrophobicContact CZ-CB 3.65Å; F632-L654 HydrophobicContact CZ-CD1 3.96Å; F632-L654 HydrophobicContact CZ-CG 4.44Å
633	S	81.3	Confident	77.9	Confident	58 Å²	58	54.2 Å²	54.2	41%	0.406	34%	0.338	S	S	.	.			trans	-82.2	133.4	-177.7	-168	0	0	0	0	111.6	Y603 T635 W639	Y603-S633 WeakPolarHBondContact CE2-O 3.33Å; Y603-S633 PolarHBondContact OH-O 3.03Å; S633-T635 PolarHBondContact OG-N 2.89Å; S633-T635 PolarHBondContact OG-O 2.9Å; S633-W639 PolarHBondContact O-NE1 3.3Å
634	L	84.9	Confident	78.9	Confident	33 Å²	33	59 Å²	59	17%	0.173	37%	0.367	C	S	.	.			trans	-118.2	10.4	167.7	-68.6	178.2	0	0	0	111.9	Y603 F632 W639 K647 V650	Y603-L634 HydrophobicContact CD2-CD2 4.49Å; Y603-L634 HydrophobicContact CE2-CD2 4.17Å; F632-L634 HydrophobicContact CD2-CD2 4.13Å; F632-L634 HydrophobicContact CD2-CG 4.02Å; F632-L634 HydrophobicContact CE2-CD1 3.83Å; F632-L634 HydrophobicContact CE2-CD2 3.76Å; F632-L634 HydrophobicContact CE2-CG 3.67Å; L634-W639 HydrophobicContact CD2-CD2 4.14Å; L634-W639 HydrophobicContact CD2-CE3 4.06Å; L634-W639 HydrophobicContact CD2-CH2 3.45Å; L634-W639 VanDerWaalsContact CD2-CH2 3.45Å; L634-W639 HydrophobicContact CD2-CZ2 3.53Å; L634-W639 HydrophobicContact CD2-CZ3 3.71Å; L634-W639 WeakPolarHBondContact O-CB 3.33Å; L634-K647 WeakPolarHBondContact O-CE 3.28Å; L634-V650 HydrophobicContact CD2-CB 4.41Å; L634-V650 HydrophobicContact CD2-CG1 3.94Å
635	T	82.6	Confident	80.1	Confident	109 Å²	109	59.7 Å²	59.7	67%	0.669	37%	0.369	S	S	*	.	S	Bend	trans	-132.5	149.8	-175.5	56.3	0	0	0	0	110.8	S633	S633-T635 PolarHBondContact OG-N 2.89Å; S633-T635 PolarHBondContact OG-O 2.9Å
636	G	77.3	Confident	81.3	Confident	38 Å²	38	56.5 Å²	56.5	39%	0.392	34%	0.342	S	S	.	.	S	Bend	trans	77	162	178.7	0	0	0	0	0	114.5	Y638 W639 N640	G636-Y638 PolarHBondContact O-N 3.37Å; G636-W639 WeakPolarHBondContact O-CB 3.38Å; G636-W639 PolarHBondContact O-N 2.85Å; G636-W639 VanDerWaalsContact O-N 3.13Å; G636-N640 WeakPolarHBondContact CA-OD1 3.45Å; G636-N640 PolarHBondContact N-OD1 3.18Å
637	G	82.6	Confident	82.2	Confident	56 Å²	56	55.6 Å²	55.6	58%	0.577	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	55.1	-125.7	179	0	0	0	0	0	112.8	W639 N640	G637-W639 PolarHBondContact O-N 2.8Å; G637-N640 WeakPolarHBondContact O-CB 3.45Å; G637-N640 PolarHBondContact O-N 2.86Å; G637-N640 VanDerWaalsContact O-N 3.17Å; G637-N640 PolarHBondContact O-ND2 3.21Å
638	Y	79.9	Confident	83.3	Confident	71 Å²	71	57.5 Å²	57.5	28%	0.278	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-63.6	-22.2	-178.7	-56.7	-69.7	0	0	0	113.9	F609 G636 N640 S641 N685	F609-Y638 HydrophobicContact CD1-CD2 4Å; F609-Y638 HydrophobicContact CD1-CE2 4.49Å; F609-Y638 AromaticContact CE1-CD2 3.65Å; F609-Y638 HydrophobicContact CE1-CD2 3.65Å; F609-Y638 HydrophobicContact CE1-CE2 4.5Å; F609-Y638 HydrophobicContact CE1-CG 4.36Å; G636-Y638 PolarHBondContact O-N 3.37Å; Y638-N640 PolarHBondContact O-N 3.24Å; Y638-S641 PolarHBondContact O-OG 2.87Å; Y638-S641 VanDerWaalsContact O-OG 3.09Å; Y638-N685 HydrophobicContact CD1-CB 4.05Å; Y638-N685 WeakPolarHBondContact CD1-O 3.45Å
639	W	87	Confident	84.9	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.008	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-73.9	-13	176.7	-75.2	101.2	0	0	0	113.7	Y603 L606 T607 F609 S633 L634 G636 G637 S641 V642 K647 V650	Y603-W639 HydrophobicContact CD1-CZ2 4.39Å; Y603-W639 HydrophobicContact CD2-CH2 4.14Å; Y603-W639 AromaticContact CD2-CZ2 3.49Å; Y603-W639 HydrophobicContact CD2-CZ2 3.49Å; Y603-W639 VanDerWaalsContact CD2-CZ2 3.49Å; Y603-W639 HydrophobicContact CE1-CZ2 4.22Å; Y603-W639 AromaticContact CE2-CE2 3.83Å; Y603-W639 HydrophobicContact CE2-CH2 4.26Å; Y603-W639 AromaticContact CE2-CZ2 3.26Å; Y603-W639 HydrophobicContact CE2-CZ2 3.26Å; Y603-W639 AromaticContact CE2-NE1 3.9Å; Y603-W639 HydrophobicContact CG-CZ2 4.03Å; Y603-W639 AromaticContact CZ-CE2 3.91Å; Y603-W639 AromaticContact CZ-CZ2 3.64Å; Y603-W639 AromaticContact CZ-NE1 3.57Å; Y603-W639 PolarHBondContact OH-NE1 2.79Å; Y603-W639 VanDerWaalsContact OH-NE1 3.09Å; L606-W639 HydrophobicContact CB-CH2 4.44Å; L606-W639 HydrophobicContact CD1-CH2 4.1Å; L606-W639 HydrophobicContact CD1-CZ3 4.24Å; T607-W639 HydrophobicContact CG2-CD2 4Å; T607-W639 HydrophobicContact CG2-CG 4.47Å; T607-W639 HydrophobicContact CG2-CH2 4.04Å; T607-W639 HydrophobicContact CG2-CZ2 3.24Å; F609-W639 AromaticContact CZ-NE1 3.82Å; S633-W639 PolarHBondContact O-NE1 3.3Å; L634-W639 HydrophobicContact CD2-CD2 4.14Å; L634-W639 HydrophobicContact CD2-CE3 4.06Å; L634-W639 HydrophobicContact CD2-CH2 3.45Å; L634-W639 VanDerWaalsContact CD2-CH2 3.45Å; L634-W639 HydrophobicContact CD2-CZ2 3.53Å; L634-W639 HydrophobicContact CD2-CZ3 3.71Å; L634-W639 WeakPolarHBondContact O-CB 3.33Å; G636-W639 WeakPolarHBondContact O-CB 3.38Å; G636-W639 PolarHBondContact O-N 2.85Å; G636-W639 VanDerWaalsContact O-N 3.13Å; G637-W639 PolarHBondContact O-N 2.8Å; W639-S641 PolarHBondContact O-N 3.41Å; W639-V642 HydrophobicContact CE3-CB 3.78Å; W639-V642 HydrophobicContact CE3-CG1 3.76Å; W639-V642 HydrophobicContact CE3-CG2 4.06Å; W639-V642 HydrophobicContact CZ3-CB 4.17Å; W639-V642 HydrophobicContact CZ3-CG1 3.62Å; W639-V642 HydrophobicContact CZ3-CG2 4.43Å; W639-V642 PolarHBondContact O-N 3.43Å; W639-K647 HydrophobicContact CE3-CD 4.29Å; W639-K647 HydrophobicContact CE3-CG 3.56Å; W639-K647 HydrophobicContact CZ3-CG 3.67Å; W639-K647 WeakPolarHBondContact O-CE 3.41Å; W639-K647 PolarHBondContact O-NZ 3.49Å; W639-V650 HydrophobicContact CH2-CG1 4.31Å; W639-V650 HydrophobicContact CH2-CG2 4.19Å
640	N	84.8	Confident	85.9	Confident	125 Å²	125	51.8 Å²	51.8	67%	0.668	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-65.8	-28.4	178.8	-68.3	-14.6	0	0	0	112.3	G636 G637 Y638	G636-N640 WeakPolarHBondContact CA-OD1 3.45Å; G636-N640 PolarHBondContact N-OD1 3.18Å; G637-N640 WeakPolarHBondContact O-CB 3.45Å; G637-N640 PolarHBondContact O-N 2.86Å; G637-N640 VanDerWaalsContact O-N 3.17Å; G637-N640 PolarHBondContact O-ND2 3.21Å; Y638-N640 PolarHBondContact O-N 3.24Å
641	S	83.6	Confident	87.3	Confident	38 Å²	38	52.6 Å²	52.6	27%	0.266	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-90.9	-0.5	176.6	52	0	0	0	0	114.2	Y638 W639 Y682	Y638-S641 PolarHBondContact O-OG 2.87Å; Y638-S641 VanDerWaalsContact O-OG 3.09Å; W639-S641 PolarHBondContact O-N 3.41Å; S641-Y682 WeakPolarHBondContact O-CE2 3.31Å; S641-Y682 PolarHBondContact O-OH 3.28Å
642	V	89.4	Confident	88.5	Confident	7 Å²	7	48.2 Å²	48.2	4%	0.042	28%	0.284	C	S	.	.	S	Bend	trans	-99.2	136.3	-175.7	179.8	0	0	0	0	110.8	E507 L606 W639 A646 K647 L684	E507-V642 WeakPolarHBondContact OE1-CA 3.14Å; L606-V642 HydrophobicContact CB-CG2 4.47Å; L606-V642 HydrophobicContact CD1-CG1 4.24Å; L606-V642 HydrophobicContact CD2-CG1 4.41Å; W639-V642 HydrophobicContact CE3-CB 3.78Å; W639-V642 HydrophobicContact CE3-CG1 3.76Å; W639-V642 HydrophobicContact CE3-CG2 4.06Å; W639-V642 HydrophobicContact CZ3-CB 4.17Å; W639-V642 HydrophobicContact CZ3-CG1 3.62Å; W639-V642 HydrophobicContact CZ3-CG2 4.43Å; W639-V642 PolarHBondContact O-N 3.43Å; V642-A646 HydrophobicContact CG1-CB 3.56Å; V642-K647 HydrophobicContact CG1-CG 4.39Å; V642-K647 VanDerWaalsContact O-CE 3.26Å; V642-K647 WeakPolarHBondContact O-CE 3.4Å; V642-K647 PolarHBondContact O-NZ 3.13Å; V642-L684 HydrophobicContact CG2-CD2 3.87Å
643	S	92	Very high	89	Confident	17 Å²	17	46.2 Å²	46.2	12%	0.119	28%	0.276	C	S	.	.			trans	-61.8	156.5	-177	109	0	0	0	0	113	E507 E645 A646 K647	E507-S643 PolarHBondContact OE1-N 3Å; E507-S643 WeakPolarHBondContact OE2-CB 3.2Å; E507-S643 PolarHBondContact OE2-OG 3.46Å; S643-E645 VanDerWaalsContact C-N 3.3Å; S643-E645 WeakPolarHBondContact CB-OE2 3.39Å; S643-E645 PolarHBondContact O-N 2.78Å; S643-E645 PolarHBondContact OG-N 2.53Å; S643-E645 PolarHBondContact OG-OE2 3.1Å; S643-A646 PolarHBondContact O-N 3.29Å; S643-A646 PolarHBondContact OG-N 3.37Å; S643-A646 VanDerWaalsContact OG-N 3.12Å; S643-K647 WeakPolarHBondContact O-CG 3.48Å; S643-K647 PolarHBondContact O-N 2.94Å
644	T	92.1	Very high	89.4	Confident	100 Å²	100	43.5 Å²	43.5	61%	0.613	26%	0.257	S	S	*	.	H	α-helix	trans	-63.4	-37.2	175.4	34.1	0	0	0	0	112.1	K647 D648	T644-K647 PolarHBondContact O-N 3.26Å; T644-D648 WeakPolarHBondContact O-CB 3.36Å; T644-D648 PolarHBondContact O-N 3.03Å
645	E	94.1	Very high	89.6	Confident	86 Å²	86	45 Å²	45	40%	0.402	26%	0.263	S	S	.	.	H	α-helix	trans	-70.2	-36.3	179.3	-55.7	69.1	-149	0	0	111.5	S643 D648 L649 H670 W672	S643-E645 VanDerWaalsContact C-N 3.3Å; S643-E645 WeakPolarHBondContact CB-OE2 3.39Å; S643-E645 PolarHBondContact O-N 2.78Å; S643-E645 PolarHBondContact OG-N 2.53Å; S643-E645 PolarHBondContact OG-OE2 3.1Å; E645-D648 PolarHBondContact O-N 3.27Å; E645-L649 PolarHBondContact O-N 3.49Å; E645-H670 PolarHBondContact O-CE1 2.69Å; E645-W672 HydrophobicContact CB-CB 3.99Å; E645-W672 HydrophobicContact CB-CG 4.35Å
646	A	94	Very high	89.4	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-64.2	-45.6	173.3	0	0	0	0	0	111.4	L606 V642 S643 D648 L649 V650 W672	L606-A646 HydrophobicContact CD1-CB 4.1Å; V642-A646 HydrophobicContact CG1-CB 3.56Å; S643-A646 PolarHBondContact O-N 3.29Å; S643-A646 PolarHBondContact OG-N 3.37Å; S643-A646 VanDerWaalsContact OG-N 3.12Å; A646-D648 VanDerWaalsContact C-N 3.34Å; A646-D648 PolarHBondContact O-N 3.44Å; A646-L649 PolarHBondContact O-N 2.94Å; A646-V650 VanDerWaalsContact O-CG2 3.3Å; A646-V650 WeakPolarHBondContact O-CG2 3.2Å; A646-V650 PolarHBondContact O-N 3.18Å; A646-W672 HydrophobicContact CB-CD2 4.47Å; A646-W672 HydrophobicContact CB-CG 4.48Å; A646-W672 HydrophobicContact CB-CZ2 4.31Å
647	K	94.7	Very high	89.4	Confident	48 Å²	48	43.9 Å²	43.9	21%	0.209	25%	0.246	C	C	.	.	H	α-helix	trans	-60.5	-43.6	176.1	-71.7	164.8	-179.9	157.8	0	111.6	L634 W639 V642 S643 T644 V650 S651	L634-K647 WeakPolarHBondContact O-CE 3.28Å; W639-K647 HydrophobicContact CE3-CD 4.29Å; W639-K647 HydrophobicContact CE3-CG 3.56Å; W639-K647 HydrophobicContact CZ3-CG 3.67Å; W639-K647 WeakPolarHBondContact O-CE 3.41Å; W639-K647 PolarHBondContact O-NZ 3.49Å; V642-K647 HydrophobicContact CG1-CG 4.39Å; V642-K647 VanDerWaalsContact O-CE 3.26Å; V642-K647 WeakPolarHBondContact O-CE 3.4Å; V642-K647 PolarHBondContact O-NZ 3.13Å; S643-K647 WeakPolarHBondContact O-CG 3.48Å; S643-K647 PolarHBondContact O-N 2.94Å; T644-K647 PolarHBondContact O-N 3.26Å; K647-V650 PolarHBondContact O-N 3.41Å; K647-S651 WeakPolarHBondContact O-CB 3.27Å; K647-S651 PolarHBondContact O-N 2.96Å; K647-S651 PolarHBondContact O-OG 2.74Å
648	D	95.7	Very high	89.3	Confident	61 Å²	61	42.4 Å²	42.4	33%	0.326	23%	0.226	S	C	.	.	H	α-helix	trans	-60.2	-48	176.8	-178	56.1	0	0	0	111	T644 E645 A646 V650 S651 K652 H670	T644-D648 WeakPolarHBondContact O-CB 3.36Å; T644-D648 PolarHBondContact O-N 3.03Å; E645-D648 PolarHBondContact O-N 3.27Å; A646-D648 VanDerWaalsContact C-N 3.34Å; A646-D648 PolarHBondContact O-N 3.44Å; D648-V650 PolarHBondContact O-N 2.96Å; D648-S651 PolarHBondContact O-N 2.82Å; D648-S651 PolarHBondContact O-OG 3.42Å; D648-K652 VanDerWaalsContact CG-NZ 3.3Å; D648-K652 WeakPolarHBondContact O-CG 3.37Å; D648-K652 PolarHBondContact O-N 2.79Å; D648-K652 VanDerWaalsContact O-N 3.1Å; D648-K652 WeakPolarHBondContact OD1-CE 3.33Å; D648-K652 IonicContact OD1-NZ 3.52Å; D648-K652 PolarHBondContact OD1-NZ 3.36Å; D648-K652 VanDerWaalsContact OD1-NZ 3.16Å; D648-K652 WeakPolarHBondContact OD2-CE 3.3Å; D648-K652 IonicContact OD2-NZ 3.59Å; D648-K652 PolarHBondContact OD2-NZ 3.18Å; D648-H670 IonicContact OD2-CE1 2.88Å; D648-H670 IonicContact OD2-NE2 3.74Å; D648-H670 PolarHBondContact OD2-NE2 2.81Å
649	L	96.8	Very high	89.3	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.9	-49.2	178	-178	54.7	0	0	0	112.3	L514 L602 E645 A646 S651 K652 M653 L662 V667 H670 W672 V673	L514-L649 HydrophobicContact CD2-CD2 3.79Å; L602-L649 HydrophobicContact CD2-CD2 3.91Å; L602-L649 HydrophobicContact CD2-CG 3.99Å; E645-L649 PolarHBondContact O-N 3.49Å; A646-L649 PolarHBondContact O-N 2.94Å; L649-S651 VanDerWaalsContact C-N 3.29Å; L649-S651 PolarHBondContact O-N 2.84Å; L649-K652 PolarHBondContact O-N 2.96Å; L649-M653 HydrophobicContact CD1-CG 3.96Å; L649-M653 HydrophobicContact CD1-SD 3.74Å; L649-M653 HydrophobicContact CD2-SD 4.36Å; L649-M653 HydrophobicContact CG-CG 4.39Å; L649-M653 HydrophobicContact CG-SD 3.78Å; L649-M653 WeakPolarHBondContact O-CG 3.26Å; L649-M653 PolarHBondContact O-N 2.76Å; L649-L662 HydrophobicContact CD1-CD1 3.84Å; L649-V667 HydrophobicContact CD1-CG1 4.3Å; L649-H670 HydrophobicContact CD1-CB 3.94Å; L649-W672 HydrophobicContact CD2-CB 4.43Å; L649-W672 HydrophobicContact CD2-CD2 4.28Å; L649-W672 HydrophobicContact CD2-CE3 3.5Å; L649-W672 VanDerWaalsContact CD2-CE3 3.5Å; L649-W672 HydrophobicContact CD2-CZ3 4.11Å; L649-V673 HydrophobicContact CD2-CG2 3.76Å
650	V	95.2	Very high	89.2	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.3	-43.4	178.6	171.8	0	0	0	0	110.8	L602 Y603 L606 F632 L634 W639 A646 K647 D648 K652 M653 L654	L602-V650 HydrophobicContact CB-CG2 4.46Å; L602-V650 HydrophobicContact CD2-CG2 3.51Å; L602-V650 HydrophobicContact CG-CG2 3.69Å; Y603-V650 HydrophobicContact CD2-CG1 3.8Å; L606-V650 HydrophobicContact CD1-CG2 3.83Å; F632-V650 HydrophobicContact CE2-CG1 4.1Å; L634-V650 HydrophobicContact CD2-CB 4.41Å; L634-V650 HydrophobicContact CD2-CG1 3.94Å; W639-V650 HydrophobicContact CH2-CG1 4.31Å; W639-V650 HydrophobicContact CH2-CG2 4.19Å; A646-V650 VanDerWaalsContact O-CG2 3.3Å; A646-V650 WeakPolarHBondContact O-CG2 3.2Å; A646-V650 PolarHBondContact O-N 3.18Å; K647-V650 PolarHBondContact O-N 3.41Å; D648-V650 PolarHBondContact O-N 2.96Å; V650-K652 VanDerWaalsContact C-N 3.34Å; V650-K652 PolarHBondContact O-N 3.48Å; V650-M653 PolarHBondContact O-N 3Å; V650-L654 HydrophobicContact CG1-CD1 3.91Å; V650-L654 WeakPolarHBondContact O-CB 3.37Å; V650-L654 PolarHBondContact O-N 2.96Å
651	S	93.9	Very high	89.4	Confident	43 Å²	43	45.1 Å²	45.1	30%	0.301	24%	0.236	S	C	.	.	H	α-helix	trans	-63	-39.2	179.9	75.3	0	0	0	0	112.9	K647 D648 L649 H655	K647-S651 WeakPolarHBondContact O-CB 3.27Å; K647-S651 PolarHBondContact O-N 2.96Å; K647-S651 PolarHBondContact O-OG 2.74Å; D648-S651 PolarHBondContact O-N 2.82Å; D648-S651 PolarHBondContact O-OG 3.42Å; L649-S651 VanDerWaalsContact C-N 3.29Å; L649-S651 PolarHBondContact O-N 2.84Å; S651-H655 PolarHBondContact O-N 3.35Å
652	K	94.6	Very high	89.9	Confident	78 Å²	78	44.7 Å²	44.7	34%	0.339	23%	0.231	S	C	.	.	H	α-helix	trans	-75.2	-30.3	178.1	-67.9	172.4	176.7	162.7	0	113.5	D648 L649 V650 L662	D648-K652 VanDerWaalsContact CG-NZ 3.3Å; D648-K652 WeakPolarHBondContact O-CG 3.37Å; D648-K652 PolarHBondContact O-N 2.79Å; D648-K652 VanDerWaalsContact O-N 3.1Å; D648-K652 WeakPolarHBondContact OD1-CE 3.33Å; D648-K652 IonicContact OD1-NZ 3.52Å; D648-K652 PolarHBondContact OD1-NZ 3.36Å; D648-K652 VanDerWaalsContact OD1-NZ 3.16Å; D648-K652 WeakPolarHBondContact OD2-CE 3.3Å; D648-K652 IonicContact OD2-NZ 3.59Å; D648-K652 PolarHBondContact OD2-NZ 3.18Å; L649-K652 PolarHBondContact O-N 2.96Å; V650-K652 VanDerWaalsContact C-N 3.34Å; V650-K652 PolarHBondContact O-N 3.48Å; K652-L662 HydrophobicContact CB-CD1 3.61Å; K652-L662 HydrophobicContact CB-CD2 4.35Å; K652-L662 HydrophobicContact CB-CG 3.76Å; K652-L662 HydrophobicContact CD-CD1 4.26Å; K652-L662 HydrophobicContact CD-CD2 4.46Å; K652-L662 PolarHBondContact O-N 3.42Å
653	M	93.4	Very high	90.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-76.8	-31.6	174.8	-68.6	179.7	71.7	0	0	112.6	L514 I595 L598 L602 L649 V650 R661 L662 V667	L514-M653 HydrophobicContact CD1-CE 4.23Å; L514-M653 HydrophobicContact CD2-SD 4.45Å; I595-M653 HydrophobicContact CG2-CB 4.23Å; I595-M653 HydrophobicContact CG2-CE 4.13Å; I595-M653 HydrophobicContact CG2-CG 4.11Å; L598-M653 HydrophobicContact CB-CE 3.44Å; L598-M653 VanDerWaalsContact CB-CE 3.44Å; L602-M653 HydrophobicContact CD2-SD 4.1Å; L649-M653 HydrophobicContact CD1-CG 3.96Å; L649-M653 HydrophobicContact CD1-SD 3.74Å; L649-M653 HydrophobicContact CD2-SD 4.36Å; L649-M653 HydrophobicContact CG-CG 4.39Å; L649-M653 HydrophobicContact CG-SD 3.78Å; L649-M653 WeakPolarHBondContact O-CG 3.26Å; L649-M653 PolarHBondContact O-N 2.76Å; V650-M653 PolarHBondContact O-N 3Å; M653-R661 WeakPolarHBondContact O-CD 3.5Å; M653-R661 VanDerWaalsContact O-CG 3.28Å; M653-R661 WeakPolarHBondContact O-CG 3.46Å; M653-L662 HydrophobicContact CG-CD1 4.4Å; M653-V667 HydrophobicContact CE-CG1 4.27Å; M653-V667 HydrophobicContact CE-CG2 4.15Å; M653-V667 HydrophobicContact CG-CG2 3.91Å; M653-V667 HydrophobicContact SD-CG1 4.05Å; M653-V667 HydrophobicContact SD-CG2 4Å
654	L	89.6	Confident	90.3	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	22.7	177.3	-65.7	-179.8	0	0	0	113.1	W596 V600 Y603 P611 F612 F632 V650 V656	W596-L654 HydrophobicContact CD2-CD2 3.95Å; W596-L654 HydrophobicContact CE3-CD2 4.14Å; W596-L654 HydrophobicContact CG-CD2 4.36Å; W596-L654 HydrophobicContact CZ2-CD2 4.42Å; W596-L654 HydrophobicContact CZ3-CB 4.43Å; W596-L654 HydrophobicContact CZ3-CD2 4.5Å; W596-L654 VanDerWaalsContact CZ3-O 3.23Å; W596-L654 WeakPolarHBondContact CZ3-O 3.48Å; V600-L654 HydrophobicContact CG2-CD2 3.8Å; Y603-L654 HydrophobicContact CD2-CD1 4.27Å; P611-L654 HydrophobicContact CB-CD1 4.23Å; P611-L654 HydrophobicContact CG-CD1 4.15Å; F612-L654 HydrophobicContact CE2-CD2 4.37Å; F612-L654 HydrophobicContact CZ-CD1 4.5Å; F632-L654 HydrophobicContact CD2-CD1 4.49Å; F632-L654 HydrophobicContact CE1-CB 3.72Å; F632-L654 HydrophobicContact CE1-CD1 4.27Å; F632-L654 HydrophobicContact CE2-CD1 4.08Å; F632-L654 HydrophobicContact CZ-CB 3.65Å; F632-L654 HydrophobicContact CZ-CD1 3.96Å; F632-L654 HydrophobicContact CZ-CG 4.44Å; V650-L654 HydrophobicContact CG1-CD1 3.91Å; V650-L654 WeakPolarHBondContact O-CB 3.37Å; V650-L654 PolarHBondContact O-N 2.96Å; L654-V656 PolarHBondContact O-N 3.11Å
655	H	87.7	Confident	90.4	Very high	64 Å²	64	43.7 Å²	43.7	30%	0.296	23%	0.227	S	C	.	.			trans	-63.4	130.3	175.3	-163.6	-79.1	0	0	0	110.1	S651 D657 Q660 R661	S651-H655 PolarHBondContact O-N 3.35Å; H655-D657 WeakPolarHBondContact ND1-CB 3.41Å; H655-D657 PolarHBondContact ND1-N 3.4Å; H655-D657 VanDerWaalsContact ND1-N 3.16Å; H655-D657 PolarHBondContact ND1-O 3.02Å; H655-D657 VanDerWaalsContact ND1-O 3.16Å; H655-Q660 PolarHBondContact CE1-OE1 3.39Å; H655-Q660 PolarHBondContact NE2-OE1 3.45Å; H655-R661 HydrophobicContact CB-CB 4.4Å; H655-R661 VanDerWaalsContact O-CZ 3.28Å; H655-R661 PolarHBondContact O-NE 2.86Å; H655-R661 PolarHBondContact O-NH2 3.45Å
656	V	80.3	Confident	90.5	Very high	68 Å²	68	44.1 Å²	44.1	41%	0.412	23%	0.229	S	C	.	.	S	Bend	trans	-63.5	-44.6	-175.4	-179.4	0	0	0	0	111.3	L654 P658 R661	L654-V656 PolarHBondContact O-N 3.11Å; V656-P658 VanDerWaalsContact O-CD 3.24Å; V656-P658 WeakPolarHBondContact O-CD 3.49Å; V656-R661 PolarHBondContact O-NH2 3.19Å
657	D	77	Confident	90.7	Very high	56 Å²	56	44.1 Å²	44.1	30%	0.299	23%	0.229	S	C	.	.	S	Bend	trans	-70.8	115.4	172.7	-177.2	-3.4	0	0	0	110.1	H655 H659 Q660 R661	H655-D657 WeakPolarHBondContact ND1-CB 3.41Å; H655-D657 PolarHBondContact ND1-N 3.4Å; H655-D657 VanDerWaalsContact ND1-N 3.16Å; H655-D657 PolarHBondContact ND1-O 3.02Å; H655-D657 VanDerWaalsContact ND1-O 3.16Å; D657-H659 PolarHBondContact O-N 3.26Å; D657-H659 WeakPolarHBondContact OD1-CB 3.27Å; D657-H659 IonicContact OD1-CD2 2.72Å; D657-H659 IonicContact OD1-CG 3.4Å; D657-H659 PolarHBondContact OD1-N 3.25Å; D657-Q660 HydrophobicContact CB-CB 4.37Å; D657-Q660 HydrophobicContact CB-CG 4.34Å; D657-Q660 PolarHBondContact O-N 3.19Å; D657-Q660 PolarHBondContact OD2-NE2 2.94Å; D657-R661 PolarHBondContact O-N 2.91Å
658	P	79.4	Confident	90.8	Very high	24 Å²	24	42.7 Å²	42.7	16%	0.156	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-26.3	178.5	-23.1	35.6	0	0	0	113.9	Y589 A592 V656 R661	Y589-P658 HydrophobicContact CD2-CB 4.27Å; Y589-P658 HydrophobicContact CD2-CG 3.66Å; Y589-P658 HydrophobicContact CE2-CG 4Å; A592-P658 HydrophobicContact CB-CB 3.83Å; V656-P658 VanDerWaalsContact O-CD 3.24Å; V656-P658 WeakPolarHBondContact O-CD 3.49Å; P658-R661 WeakPolarHBondContact O-CB 3.26Å; P658-R661 PolarHBondContact O-N 3.05Å
659	H	79.7	Confident	90.9	Very high	111 Å²	111	48.8 Å²	48.8	51%	0.514	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-22.1	-178.7	-65.7	-59.3	0	0	0	113.8	D657	D657-H659 PolarHBondContact O-N 3.26Å; D657-H659 WeakPolarHBondContact OD1-CB 3.27Å; D657-H659 IonicContact OD1-CD2 2.72Å; D657-H659 IonicContact OD1-CG 3.4Å; D657-H659 PolarHBondContact OD1-N 3.25Å
660	Q	85.2	Confident	91	Very high	125 Å²	125	49.4 Å²	49.4	58%	0.584	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-8.4	175.1	-63.1	-176.3	44.2	0	0	112	H655 D657	H655-Q660 PolarHBondContact CE1-OE1 3.39Å; H655-Q660 PolarHBondContact NE2-OE1 3.45Å; D657-Q660 HydrophobicContact CB-CB 4.37Å; D657-Q660 HydrophobicContact CB-CG 4.34Å; D657-Q660 PolarHBondContact O-N 3.19Å; D657-Q660 PolarHBondContact OD2-NE2 2.94Å
661	R	90.2	Very high	91	Very high	20 Å²	20	52.7 Å²	52.7	8%	0.075	27%	0.266	C	S	.	.	S	Bend	trans	-69.7	143.1	175.1	-161.4	176.2	-60.4	141	8	109.7	A592 I595 M653 H655 V656 D657 P658	A592-R661 VanDerWaalsContact C-NH1 3.28Å; A592-R661 VanDerWaalsContact O-CD 3.3Å; A592-R661 WeakPolarHBondContact O-CD 3.25Å; A592-R661 PolarHBondContact O-NH1 3.47Å; I595-R661 HydrophobicContact CB-CG 4.49Å; I595-R661 HydrophobicContact CG2-CG 4.1Å; M653-R661 WeakPolarHBondContact O-CD 3.5Å; M653-R661 VanDerWaalsContact O-CG 3.28Å; M653-R661 WeakPolarHBondContact O-CG 3.46Å; H655-R661 HydrophobicContact CB-CB 4.4Å; H655-R661 VanDerWaalsContact O-CZ 3.28Å; H655-R661 PolarHBondContact O-NE 2.86Å; H655-R661 PolarHBondContact O-NH2 3.45Å; V656-R661 PolarHBondContact O-NH2 3.19Å; D657-R661 PolarHBondContact O-N 2.91Å; P658-R661 WeakPolarHBondContact O-CB 3.26Å; P658-R661 PolarHBondContact O-N 3.05Å
662	L	93.9	Very high	91.1	Very high	28 Å²	28	50.8 Å²	50.8	15%	0.147	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-60.9	148.2	177	-62.3	174.6	0	0	0	111.2	I595 L649 K652 M653 Q666 V667	I595-L662 WeakPolarHBondContact CG1-O 3.35Å; I595-L662 WeakPolarHBondContact CG2-O 3.25Å; L649-L662 HydrophobicContact CD1-CD1 3.84Å; K652-L662 HydrophobicContact CB-CD1 3.61Å; K652-L662 HydrophobicContact CB-CD2 4.35Å; K652-L662 HydrophobicContact CB-CG 3.76Å; K652-L662 HydrophobicContact CD-CD1 4.26Å; K652-L662 HydrophobicContact CD-CD2 4.46Å; K652-L662 PolarHBondContact O-N 3.42Å; M653-L662 HydrophobicContact CG-CD1 4.4Å; L662-Q666 HydrophobicContact CB-CB 4.12Å; L662-Q666 HydrophobicContact CD2-CB 3.95Å; L662-V667 HydrophobicContact CB-CG2 3.73Å; L662-V667 HydrophobicContact CD1-CG2 4.01Å
663	T	94.2	Very high	91.2	Very high	74 Å²	74	47.1 Å²	47.1	45%	0.454	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-82.1	164	163.1	68	0	0	0	0	110.7	A665 Q666 V667	T663-A665 VanDerWaalsContact C-N 3.27Å; T663-A665 PolarHBondContact O-N 3.08Å; T663-Q666 PolarHBondContact O-N 3.03Å; T663-Q666 WeakPolarHBondContact OG1-CG 3.39Å; T663-Q666 PolarHBondContact OG1-N 3.2Å; T663-Q666 PolarHBondContact OG1-OE1 3.34Å; T663-V667 WeakPolarHBondContact O-CG2 3.49Å; T663-V667 PolarHBondContact O-N 3.43Å
664	A	94.2	Very high	91.3	Very high	3 Å²	3	52.4 Å²	52.4	3%	0.025	26%	0.262	C	S	.	.	H	α-helix	trans	-54.4	-44.2	176.7	0	0	0	0	0	112	T518 V521 E522 I595 Q666 V667 L668	T518-A664 HydrophobicContact CG2-CB 4.16Å; T518-A664 WeakPolarHBondContact CG2-O 3.41Å; V521-A664 HydrophobicContact CG1-CB 4.39Å; E522-A664 HydrophobicContact CB-CB 3.8Å; E522-A664 HydrophobicContact CG-CB 4.39Å; I595-A664 HydrophobicContact CD1-CB 3.89Å; A664-Q666 VanDerWaalsContact C-N 3.31Å; A664-Q666 PolarHBondContact O-N 3.09Å; A664-V667 PolarHBondContact O-N 2.99Å; A664-L668 WeakPolarHBondContact O-CG 3.2Å; A664-L668 PolarHBondContact O-N 3.35Å
665	A	94.6	Very high	91.4	Very high	26 Å²	26	57 Å²	57	22%	0.215	28%	0.284	C	S	.	.	H	α-helix	trans	-61	-37.9	176.2	0	0	0	0	0	112.8	E522 T663 R669	E522-A665 HydrophobicContact CG-CB 4.5Å; E522-A665 WeakPolarHBondContact OE1-CA 3.29Å; E522-A665 VanDerWaalsContact OE1-CB 3.29Å; E522-A665 WeakPolarHBondContact OE1-CB 3.48Å; T663-A665 VanDerWaalsContact C-N 3.27Å; T663-A665 PolarHBondContact O-N 3.08Å; A665-R669 WeakPolarHBondContact O-CG 3.2Å; A665-R669 PolarHBondContact O-N 3.27Å
666	Q	96.8	Very high	91.6	Very high	95 Å²	95	56.9 Å²	56.9	44%	0.444	28%	0.281	S	S	.	.	H	α-helix	trans	-72.2	-37.5	176.8	-70.8	171.1	-27.9	0	0	112.2	L662 T663 A664 L668 R669 H670	L662-Q666 HydrophobicContact CB-CB 4.12Å; L662-Q666 HydrophobicContact CD2-CB 3.95Å; T663-Q666 PolarHBondContact O-N 3.03Å; T663-Q666 WeakPolarHBondContact OG1-CG 3.39Å; T663-Q666 PolarHBondContact OG1-N 3.2Å; T663-Q666 PolarHBondContact OG1-OE1 3.34Å; A664-Q666 VanDerWaalsContact C-N 3.31Å; A664-Q666 PolarHBondContact O-N 3.09Å; Q666-L668 VanDerWaalsContact C-N 3.33Å; Q666-L668 PolarHBondContact O-N 3.27Å; Q666-R669 PolarHBondContact O-N 2.95Å; Q666-H670 PolarHBondContact O-N 3.29Å
667	V	97.7	Very high	92	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.3	-44.7	172.8	172	0	0	0	0	110.6	L514 T518 I595 L649 M653 L662 T663 A664 R669 H670	L514-V667 HydrophobicContact CD2-CG1 4.4Å; T518-V667 HydrophobicContact CG2-CB 3.85Å; T518-V667 HydrophobicContact CG2-CG1 3.72Å; I595-V667 HydrophobicContact CG2-CG2 4.24Å; L649-V667 HydrophobicContact CD1-CG1 4.3Å; M653-V667 HydrophobicContact CE-CG1 4.27Å; M653-V667 HydrophobicContact CE-CG2 4.15Å; M653-V667 HydrophobicContact CG-CG2 3.91Å; M653-V667 HydrophobicContact SD-CG1 4.05Å; M653-V667 HydrophobicContact SD-CG2 4Å; L662-V667 HydrophobicContact CB-CG2 3.73Å; L662-V667 HydrophobicContact CD1-CG2 4.01Å; T663-V667 WeakPolarHBondContact O-CG2 3.49Å; T663-V667 PolarHBondContact O-N 3.43Å; A664-V667 PolarHBondContact O-N 2.99Å; V667-R669 PolarHBondContact O-N 3.19Å; V667-H670 WeakPolarHBondContact O-CB 3.37Å; V667-H670 PolarHBondContact O-N 2.8Å
668	L	97.1	Very high	92.6	Very high	18 Å²	18	63.9 Å²	63.9	9%	0.094	31%	0.307	C	S	.	.	H	α-helix	trans	-64.3	-28	178.7	-69.1	170.5	0	0	0	113.6	Y515 T518 K519 E522 A664 Q666 H670 V673 M674	Y515-L668 HydrophobicContact CD2-CD2 3.7Å; Y515-L668 HydrophobicContact CE2-CD2 3.96Å; T518-L668 HydrophobicContact CG2-CD1 4.4Å; T518-L668 HydrophobicContact CG2-CD2 3.93Å; T518-L668 HydrophobicContact CG2-CG 3.75Å; K519-L668 HydrophobicContact CB-CD1 4.48Å; K519-L668 HydrophobicContact CB-CD2 4.28Å; E522-L668 HydrophobicContact CB-CD1 3.94Å; E522-L668 VanDerWaalsContact CD-CD1 3.47Å; E522-L668 HydrophobicContact CG-CD1 4.24Å; E522-L668 WeakPolarHBondContact OE2-CD1 3.42Å; A664-L668 WeakPolarHBondContact O-CG 3.2Å; A664-L668 PolarHBondContact O-N 3.35Å; Q666-L668 VanDerWaalsContact C-N 3.33Å; Q666-L668 PolarHBondContact O-N 3.27Å; L668-H670 VanDerWaalsContact C-N 3.34Å; L668-V673 HydrophobicContact CD2-CG1 4.44Å; L668-M674 WeakPolarHBondContact O-CG 3.26Å
669	R	97.3	Very high	93	Very high	189 Å²	189	63.5 Å²	63.5	71%	0.713	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-6	176	-67	175.3	-164.8	-176.5	4.4	113.3	A665 Q666 V667	A665-R669 WeakPolarHBondContact O-CG 3.2Å; A665-R669 PolarHBondContact O-N 3.27Å; Q666-R669 PolarHBondContact O-N 2.95Å; V667-R669 PolarHBondContact O-N 3.19Å
670	H	98	Very high	93.1	Very high	14 Å²	14	60.4 Å²	60.4	7%	0.065	29%	0.293	C	S	.	.	S	Bend	trans	-64.4	138.4	-179.1	-165.8	-93	0	0	0	110.9	E645 D648 L649 Q666 V667 L668 W672 V673 M674	E645-H670 PolarHBondContact O-CE1 2.69Å; D648-H670 IonicContact OD2-CE1 2.88Å; D648-H670 IonicContact OD2-NE2 3.74Å; D648-H670 PolarHBondContact OD2-NE2 2.81Å; L649-H670 HydrophobicContact CD1-CB 3.94Å; Q666-H670 PolarHBondContact O-N 3.29Å; V667-H670 WeakPolarHBondContact O-CB 3.37Å; V667-H670 PolarHBondContact O-N 2.8Å; L668-H670 VanDerWaalsContact C-N 3.34Å; H670-W672 VanDerWaalsContact C-N 3.26Å; H670-W672 PolarHBondContact ND1-N 3.15Å; H670-W672 PolarHBondContact O-N 2.9Å; H670-W672 VanDerWaalsContact O-N 3.15Å; H670-V673 PolarHBondContact O-N 3.32Å; H670-M674 PolarHBondContact O-N 3.39Å
671	P	96.3	Very high	92.8	Very high	69 Å²	69	61.7 Å²	61.7	45%	0.448	30%	0.297	S	S	.	.	H	α-helix	trans	-52.2	-40.4	-177.3	-30.1	36	0	0	0	114.3	V673 M674 H675	P671-V673 VanDerWaalsContact C-N 3.25Å; P671-V673 PolarHBondContact O-N 3.5Å; P671-M674 PolarHBondContact O-N 3.17Å; P671-H675 WeakPolarHBondContact O-CB 3.4Å; P671-H675 PolarHBondContact O-CD2 3.46Å; P671-H675 PolarHBondContact O-N 2.77Å
672	W	96.8	Very high	92.1	Very high	3 Å²	3	65.2 Å²	65.2	1%	0.011	31%	0.311	C	S	.	.	H	α-helix	trans	-61.3	-29.7	177.6	-168.8	81.9	0	0	0	113.7	E507 A510 S511 L514 L602 L606 E645 A646 L649 H670 L679	E507-W672 HydrophobicContact CB-CZ2 4.04Å; E507-W672 HydrophobicContact CG-CZ2 4.46Å; E507-W672 WeakPolarHBondContact O-CZ2 3.37Å; E507-W672 PolarHBondContact OE2-NE1 3.42Å; A510-W672 HydrophobicContact CB-CH2 4Å; A510-W672 HydrophobicContact CB-CZ2 4.43Å; S511-W672 VanDerWaalsContact CA-CH2 3.45Å; S511-W672 VanDerWaalsContact CA-CZ3 3.44Å; S511-W672 VanDerWaalsContact CB-CZ3 3.49Å; S511-W672 PolarHBondContact OG-O 2.96Å; L514-W672 HydrophobicContact CD2-CE3 4.38Å; L514-W672 HydrophobicContact CD2-CZ3 3.8Å; L602-W672 HydrophobicContact CD1-CH2 3.57Å; L602-W672 HydrophobicContact CD1-CZ3 3.79Å; L602-W672 HydrophobicContact CD2-CZ3 4.46Å; L606-W672 HydrophobicContact CD2-CZ2 4.13Å; E645-W672 HydrophobicContact CB-CB 3.99Å; E645-W672 HydrophobicContact CB-CG 4.35Å; A646-W672 HydrophobicContact CB-CD2 4.47Å; A646-W672 HydrophobicContact CB-CG 4.48Å; A646-W672 HydrophobicContact CB-CZ2 4.31Å; L649-W672 HydrophobicContact CD2-CB 4.43Å; L649-W672 HydrophobicContact CD2-CD2 4.28Å; L649-W672 HydrophobicContact CD2-CE3 3.5Å; L649-W672 VanDerWaalsContact CD2-CE3 3.5Å; L649-W672 HydrophobicContact CD2-CZ3 4.11Å; H670-W672 VanDerWaalsContact C-N 3.26Å; H670-W672 PolarHBondContact ND1-N 3.15Å; H670-W672 PolarHBondContact O-N 2.9Å; H670-W672 VanDerWaalsContact O-N 3.15Å; W672-L679 HydrophobicContact CD2-CD1 4.12Å; W672-L679 HydrophobicContact CG-CD1 4.31Å; W672-L679 HydrophobicContact CG-CD2 4.34Å; W672-L679 HydrophobicContact CZ2-CD1 4.19Å; W672-L679 WeakPolarHBondContact O-CD1 3.44Å
673	V	96.2	Very high	91.1	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.006	32%	0.324	C	S	.	.	H	α-helix	trans	-91.1	-43.5	178.7	179.3	0	0	0	0	111.2	L514 Y515 L649 L668 H670 P671 H675 R676	L514-V673 HydrophobicContact CD2-CG2 4.15Å; Y515-V673 HydrophobicContact CD2-CG1 3.72Å; Y515-V673 HydrophobicContact CG-CG1 4.39Å; L649-V673 HydrophobicContact CD2-CG2 3.76Å; L668-V673 HydrophobicContact CD2-CG1 4.44Å; H670-V673 PolarHBondContact O-N 3.32Å; P671-V673 VanDerWaalsContact C-N 3.25Å; P671-V673 PolarHBondContact O-N 3.5Å; V673-H675 VanDerWaalsContact C-N 3.33Å; V673-H675 PolarHBondContact O-N 3.42Å; V673-R676 WeakPolarHBondContact O-CB 3.4Å; V673-R676 PolarHBondContact O-N 3.16Å
674	M	94.2	Very high	90.2	Very high	110 Å²	110	64 Å²	64	54%	0.542	30%	0.304	S	S	.	.	H	α-helix	trans	-61.1	-40.7	178.8	-78.6	-68.8	-66.4	0	0	112.2	L668 H670 P671	L668-M674 WeakPolarHBondContact O-CG 3.26Å; H670-M674 PolarHBondContact O-N 3.39Å; P671-M674 PolarHBondContact O-N 3.17Å
675	H	92.1	Very high	88.9	Confident	98 Å²	98	68.9 Å²	68.9	45%	0.454	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	26.7	-178.3	-55.7	-61	0	0	0	112.9	P671 V673 E677 Q678 L679	P671-H675 WeakPolarHBondContact O-CB 3.4Å; P671-H675 PolarHBondContact O-CD2 3.46Å; P671-H675 PolarHBondContact O-N 2.77Å; V673-H675 VanDerWaalsContact C-N 3.33Å; V673-H675 PolarHBondContact O-N 3.42Å; H675-E677 PolarHBondContact O-N 2.94Å; H675-Q678 WeakPolarHBondContact O-CA 3.46Å; H675-Q678 WeakPolarHBondContact O-CB 3.41Å; H675-Q678 PolarHBondContact O-N 2.95Å; H675-L679 PolarHBondContact O-N 3.34Å
676	R	91.8	Very high	87.6	Confident	63 Å²	63	69.3 Å²	69.3	24%	0.238	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-51	-34.7	-176.5	68.6	-175.9	179.6	-81.7	-2.7	114.7	S511 V673 Q678 L679	S511-R676 VanDerWaalsContact OG-CB 3.25Å; S511-R676 WeakPolarHBondContact OG-CB 3.38Å; V673-R676 WeakPolarHBondContact O-CB 3.4Å; V673-R676 PolarHBondContact O-N 3.16Å; R676-Q678 PolarHBondContact O-N 3.06Å; R676-L679 HydrophobicContact CB-CD1 4.36Å; R676-L679 WeakPolarHBondContact O-CB 3.39Å; R676-L679 PolarHBondContact O-N 3.01Å; R676-L679 VanDerWaalsContact O-N 3.12Å
677	E	89.3	Confident	86	Confident	117 Å²	117	68.6 Å²	68.6	55%	0.547	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-69	-19	179.3	-61	-52.8	144.3	0	0	113.8	R508 H675	R508-E677 PolarHBondContact NH1-O 3.39Å; R508-E677 PolarHBondContact NH2-O 3.36Å; H675-E677 PolarHBondContact O-N 2.94Å
678	Q	89.8	Confident	84.3	Confident	154 Å²	154	76.6 Å²	76.6	72%	0.72	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-94	-8.7	177.3	-57	174.6	11	0	0	111.5	H675 R676	H675-Q678 WeakPolarHBondContact O-CA 3.46Å; H675-Q678 WeakPolarHBondContact O-CB 3.41Å; H675-Q678 PolarHBondContact O-N 2.95Å; R676-Q678 PolarHBondContact O-N 3.06Å
679	L	88.7	Confident	82.8	Confident	16 Å²	16	76.7 Å²	76.7	8%	0.084	37%	0.369	C	S	.	.	S	Bend	trans	-65	149.2	-179.2	-70.9	176.8	0	0	0	111.7	E507 R508 W672 H675 R676	E507-L679 HydrophobicContact CB-CD1 4.49Å; R508-L679 HydrophobicContact CB-CB 4.1Å; R508-L679 PolarHBondContact NE-O 3.29Å; R508-L679 PolarHBondContact NH2-O 3.31Å; W672-L679 HydrophobicContact CD2-CD1 4.12Å; W672-L679 HydrophobicContact CG-CD1 4.31Å; W672-L679 HydrophobicContact CG-CD2 4.34Å; W672-L679 HydrophobicContact CZ2-CD1 4.19Å; W672-L679 WeakPolarHBondContact O-CD1 3.44Å; H675-L679 PolarHBondContact O-N 3.34Å; R676-L679 HydrophobicContact CB-CD1 4.36Å; R676-L679 WeakPolarHBondContact O-CB 3.39Å; R676-L679 PolarHBondContact O-N 3.01Å; R676-L679 VanDerWaalsContact O-N 3.12Å
680	P	80	Confident	81.4	Confident	45 Å²	45	69.9 Å²	69.9	29%	0.292	35%	0.349	S	S	.	.			trans	-61.1	145.8	-179.4	-20.9	33.4	0	0	0	112.5	Y682	P680-Y682 VanDerWaalsContact C-N 3.34Å; P680-Y682 HydrophobicContact CB-CD1 3.15Å; P680-Y682 HydrophobicContact CB-CD2 4.47Å; P680-Y682 HydrophobicContact CB-CE1 3Å; P680-Y682 HydrophobicContact CB-CE2 4.32Å; P680-Y682 HydrophobicContact CB-CG 3.91Å; P680-Y682 HydrophobicContact CG-CD1 3.97Å; P680-Y682 HydrophobicContact CG-CE1 3.28Å
681	K	79.4	Confident	80	Confident	152 Å²	152	75.8 Å²	75.8	66%	0.661	38%	0.377	S	S	*	.			trans	-94.7	13	172.8	-62.4	-174.3	179.4	-175.7	0	112.6
682	Y	75.1	Confident	78.9	Confident	94 Å²	94	76.1 Å²	76.1	37%	0.369	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-67.5	152.3	178.4	55.7	-119.9	0	0	0	110.9	S506 E507 S641 P680	S506-Y682 WeakPolarHBondContact CB-O 3.3Å; E507-Y682 HydrophobicContact CG-CE2 4.41Å; E507-Y682 PolarHBondContact OE1-OH 3.47Å; S641-Y682 WeakPolarHBondContact O-CE2 3.31Å; S641-Y682 PolarHBondContact O-OH 3.28Å; P680-Y682 VanDerWaalsContact C-N 3.34Å; P680-Y682 HydrophobicContact CB-CD1 3.15Å; P680-Y682 HydrophobicContact CB-CD2 4.47Å; P680-Y682 HydrophobicContact CB-CE1 3Å; P680-Y682 HydrophobicContact CB-CE2 4.32Å; P680-Y682 HydrophobicContact CB-CG 3.91Å; P680-Y682 HydrophobicContact CG-CD1 3.97Å; P680-Y682 HydrophobicContact CG-CE1 3.28Å
683	T	72.8	Confident	77.9	Confident	70 Å²	70	76.2 Å²	76.2	43%	0.429	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-71.2	127.2	178.5	-45.7	0	0	0	0	110.5	F504	F504-T683 HydrophobicContact CD1-CG2 3.91Å; F504-T683 WeakPolarHBondContact CD1-OG1 3.34Å
684	L	75.9	Confident	76.9	Confident	7 Å²	7	79.5 Å²	79.5	4%	0.037	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-69.8	131.3	167.8	-69.4	165.7	0	0	0	109.6	F505 E507 L606 V642 R686	F505-L684 HydrophobicContact CD1-CD1 4.09Å; F505-L684 WeakPolarHBondContact O-CB 3.17Å; F505-L684 WeakPolarHBondContact O-CG 3.47Å; F505-L684 PolarHBondContact O-N 2.98Å; E507-L684 HydrophobicContact CG-CD2 3.93Å; L606-L684 HydrophobicContact CD2-CD1 4.18Å; V642-L684 HydrophobicContact CG2-CD2 3.87Å; L684-R686 HydrophobicContact CB-CG 4.16Å; L684-R686 PolarHBondContact O-N 3.4Å
685	N	67.5	Low	75.9	Confident	106 Å²	106	75.4 Å²	75.4	57%	0.567	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-75.1	125.1	173.5	-151.4	1.6	0	0	0	107.9	Y638	Y638-N685 HydrophobicContact CD1-CB 4.05Å; Y638-N685 WeakPolarHBondContact CD1-O 3.45Å
686	R	67.8	Low	75.1	Confident	35 Å²	35	71 Å²	71	13%	0.132	36%	0.355	C	S	.	.			trans	-140.2	160.8	-172	-62.2	-179	79.2	-165.2	10.6	111.7	I499 T604 M605 L684	I499-R686 PolarHBondContact O-NH1 2.83Å; T604-R686 PolarHBondContact O-NH2 2.94Å; T604-R686 VanDerWaalsContact O-NH2 3.1Å; M605-R686 PolarHBondContact O-NE 2.87Å; M605-R686 PolarHBondContact O-NH2 3.24Å; L684-R686 HydrophobicContact CB-CG 4.16Å; L684-R686 PolarHBondContact O-N 3.4Å
687	Q	62.8	Low	74.4	Confident	80 Å²	80	68.5 Å²	68.5	37%	0.374	35%	0.346	S	S	.	.			trans	-77.5	134.2	-178	-162.5	174.7	12	0	0	112.4	A689	Q687-A689 PolarHBondContact O-N 3.22Å
688	D	61.3	Low	73.7	Confident	168 Å²	168	65.8 Å²	65.8	90%	0.898	34%	0.344	S	S	*	.	S	Bend	trans	-76.5	24.6	-176.9	-75.6	-35.7	0	0	0	115.3
689	A	65.1	Low	72.8	Confident	19 Å²	19	59.2 Å²	59.2	16%	0.157	32%	0.316	C	S	.	.			trans	-133.2	72	-175.8	0	0	0	0	0	114.4	Q687 H691 L692	Q687-A689 PolarHBondContact O-N 3.22Å; A689-H691 VanDerWaalsContact C-N 3.27Å; A689-H691 PolarHBondContact O-N 3.19Å; A689-H691 VanDerWaalsContact O-N 3.1Å; A689-L692 HydrophobicContact CB-CD1 3.89Å; A689-L692 HydrophobicContact CB-CG 4.35Å; A689-L692 PolarHBondContact O-N 3Å
690	P	68.8	Low	72.1	Confident	46 Å²	46	58.5 Å²	58.5	30%	0.299	31%	0.312	S	S	.	.	H	α-helix	trans	-56	-31.6	-174.3	-27.8	35.3	0	0	0	115.9	L500 V693 K694	L500-P690 HydrophobicContact CB-CB 3.95Å; L500-P690 HydrophobicContact CB-CG 4.22Å; L500-P690 HydrophobicContact CD1-CB 4.12Å; P690-V693 PolarHBondContact O-N 3.08Å; P690-K694 PolarHBondContact O-N 3.41Å
691	H	69.7	Low	71.7	Confident	139 Å²	139	57 Å²	57	64%	0.644	30%	0.301	S	S	*	.	H	α-helix	trans	-70.6	-35.3	-176.8	66.2	-81	0	0	0	113.1	A689 V693 K694 G695	A689-H691 VanDerWaalsContact C-N 3.27Å; A689-H691 PolarHBondContact O-N 3.19Å; A689-H691 VanDerWaalsContact O-N 3.1Å; H691-V693 VanDerWaalsContact C-N 3.35Å; H691-K694 PolarHBondContact O-N 3.4Å; H691-G695 PolarHBondContact O-N 3.48Å; H691-G695 VanDerWaalsContact O-N 3.12Å
692	L	72	Confident	71.2	Confident	75 Å²	75	53 Å²	53	39%	0.393	29%	0.292	S	S	.	.	H	α-helix	trans	-67.6	-39.2	177	-66.9	174.5	0	0	0	111	P616 A689 K694 G695 A696	P616-L692 HydrophobicContact CG-CD2 4.47Å; A689-L692 HydrophobicContact CB-CD1 3.89Å; A689-L692 HydrophobicContact CB-CG 4.35Å; A689-L692 PolarHBondContact O-N 3Å; L692-K694 VanDerWaalsContact C-N 3.34Å; L692-K694 PolarHBondContact O-N 3.42Å; L692-G695 PolarHBondContact O-N 2.97Å; L692-A696 WeakPolarHBondContact O-CB 3.49Å; L692-A696 PolarHBondContact O-N 3.07Å
693	V	76.5	Confident	70.8	Confident	5 Å²	5	48.6 Å²	48.6	3%	0.03	28%	0.275	C	S	.	.	H	α-helix	trans	-62.1	-43.6	176.7	-172.5	0	0	0	0	110.6	L496 L500 T604 G608 P690 H691 A696 M697	L496-V693 HydrophobicContact CD2-CG1 4.36Å; L500-V693 HydrophobicContact CD1-CB 4.13Å; L500-V693 HydrophobicContact CD1-CG1 4.16Å; T604-V693 HydrophobicContact CG2-CG1 3.59Å; G608-V693 WeakPolarHBondContact O-CG2 3.25Å; P690-V693 PolarHBondContact O-N 3.08Å; H691-V693 VanDerWaalsContact C-N 3.35Å; V693-A696 PolarHBondContact O-N 2.78Å; V693-M697 VanDerWaalsContact O-CB 3.24Å; V693-M697 WeakPolarHBondContact O-CB 3.25Å; V693-M697 PolarHBondContact O-N 3.37Å
694	K	74.4	Confident	70.4	Confident	71 Å²	71	47.7 Å²	47.7	31%	0.309	27%	0.267	S	S	.	.	H	α-helix	trans	-62.9	-45.2	178	-167.8	169.9	-171.1	164.3	0	111.7	E494 D497 P690 H691 L692 M697 A698	E494-K694 IonicContact OE1-NZ 2.58Å; E494-K694 PolarHBondContact OE1-NZ 3.29Å; E494-K694 WeakPolarHBondContact OE2-CE 2.94Å; E494-K694 IonicContact OE2-NZ 2.63Å; E494-K694 PolarHBondContact OE2-NZ 3.36Å; D497-K694 IonicContact OD1-NZ 3.74Å; D497-K694 IonicContact OD2-NZ 2.86Å; D497-K694 PolarHBondContact OD2-NZ 3.17Å; P690-K694 PolarHBondContact O-N 3.41Å; H691-K694 PolarHBondContact O-N 3.4Å; L692-K694 VanDerWaalsContact C-N 3.34Å; L692-K694 PolarHBondContact O-N 3.42Å; K694-M697 PolarHBondContact O-N 3.1Å; K694-A698 WeakPolarHBondContact O-CB 3.15Å; K694-A698 PolarHBondContact O-N 3.25Å
695	G	73.1	Confident	69.4	Low	23 Å²	23	51.4 Å²	51.4	24%	0.237	29%	0.287	C	S	.	.	H	α-helix	trans	-62.1	-48.1	176.6	0	0	0	0	0	113.1	H691 L692 M697 A698 A699	H691-G695 PolarHBondContact O-N 3.48Å; H691-G695 VanDerWaalsContact O-N 3.12Å; L692-G695 PolarHBondContact O-N 2.97Å; G695-M697 VanDerWaalsContact C-N 3.3Å; G695-M697 PolarHBondContact O-N 3.4Å; G695-A698 PolarHBondContact O-N 3.18Å; G695-A699 PolarHBondContact O-N 3.04Å
696	A	76	Confident	68.8	Low	5 Å²	5	53.7 Å²	53.7	4%	0.041	29%	0.288	C	S	.	.	H	α-helix	trans	-61.4	-37.6	176.5	0	0	0	0	0	112.5	T610 A613 L692 V693 A699 T700	T610-A696 HydrophobicContact CG2-CB 4.06Å; A613-A696 HydrophobicContact CB-CB 3.87Å; A613-A696 WeakPolarHBondContact CB-O 3.28Å; L692-A696 WeakPolarHBondContact O-CB 3.49Å; L692-A696 PolarHBondContact O-N 3.07Å; V693-A696 PolarHBondContact O-N 2.78Å; A696-A699 PolarHBondContact O-N 2.79Å; A696-T700 PolarHBondContact O-N 2.72Å; A696-T700 PolarHBondContact O-OG1 3.23Å
697	M	76.9	Confident	67.5	Low	11 Å²	11	57.9 Å²	57.9	5%	0.054	31%	0.313	C	S	.	.	H	α-helix	trans	-71.5	-42.4	178.4	-165	168.1	67.1	0	0	111.8	L496 P536 T604 T610 V693 K694 G695 A699 T700 Y701	L496-M697 HydrophobicContact CB-CE 4.42Å; L496-M697 HydrophobicContact CD2-CE 3.22Å; L496-M697 HydrophobicContact CD2-SD 3.64Å; L496-M697 HydrophobicContact CG-CE 4.41Å; P536-M697 HydrophobicContact CB-CE 3.5Å; P536-M697 VanDerWaalsContact CB-CE 3.5Å; P536-M697 HydrophobicContact CB-SD 4.39Å; P536-M697 HydrophobicContact CG-CE 3.28Å; P536-M697 HydrophobicContact CG-SD 3.55Å; P536-M697 VanDerWaalsContact CG-SD 3.55Å; T604-M697 HydrophobicContact CG2-SD 4.34Å; T610-M697 HydrophobicContact CG2-CB 3.72Å; T610-M697 HydrophobicContact CG2-CG 4.25Å; V693-M697 VanDerWaalsContact O-CB 3.24Å; V693-M697 WeakPolarHBondContact O-CB 3.25Å; V693-M697 PolarHBondContact O-N 3.37Å; K694-M697 PolarHBondContact O-N 3.1Å; G695-M697 VanDerWaalsContact C-N 3.3Å; G695-M697 PolarHBondContact O-N 3.4Å; M697-A699 VanDerWaalsContact C-N 3.3Å; M697-A699 PolarHBondContact O-N 3.46Å; M697-T700 WeakPolarHBondContact O-CB 3.3Å; M697-T700 PolarHBondContact O-N 3.42Å; M697-T700 VanDerWaalsContact O-N 3.17Å; M697-Y701 HydrophobicContact CG-CD2 3.8Å; M697-Y701 HydrophobicContact CG-CE2 3.58Å; M697-Y701 VanDerWaalsContact O-CD2 3.23Å; M697-Y701 WeakPolarHBondContact O-CD2 3.36Å; M697-Y701 PolarHBondContact O-N 2.96Å; M697-Y701 HydrophobicContact SD-CE2 4.2Å
698	A	73.5	Confident	66	Low	60 Å²	60	60.3 Å²	60.3	50%	0.496	33%	0.333	S	S	.	.	H	α-helix	trans	-59.1	-42.3	172.5	0	0	0	0	0	111.5	K694 G695 T700 Y701 S702	K694-A698 WeakPolarHBondContact O-CB 3.15Å; K694-A698 PolarHBondContact O-N 3.25Å; G695-A698 PolarHBondContact O-N 3.18Å; A698-T700 VanDerWaalsContact C-N 3.35Å; A698-T700 PolarHBondContact O-N 2.83Å; A698-Y701 PolarHBondContact O-N 2.98Å; A698-S702 WeakPolarHBondContact O-CB 3.31Å; A698-S702 PolarHBondContact O-N 2.96Å
699	A	72.3	Confident	64.7	Low	17 Å²	17	56.9 Å²	56.9	14%	0.14	32%	0.32	C	S	.	.	H	α-helix	trans	-60.6	-42.7	174.1	0	0	0	0	0	111.9	I623 G695 A696 M697 S702 A703	I623-A699 HydrophobicContact CD1-CB 3.78Å; G695-A699 PolarHBondContact O-N 3.04Å; A696-A699 PolarHBondContact O-N 2.79Å; M697-A699 VanDerWaalsContact C-N 3.3Å; M697-A699 PolarHBondContact O-N 3.46Å; A699-S702 PolarHBondContact O-N 2.93Å; A699-A703 WeakPolarHBondContact O-CB 3.48Å; A699-A703 PolarHBondContact O-N 3.48Å
700	T	73.2	Confident	63	Low	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-60.6	-50.1	177.3	-56.4	0	0	0	0	112.3	A613 I623 A696 M697 A698 A703 L704	A613-T700 WeakPolarHBondContact CB-OG1 3.31Å; I623-T700 HydrophobicContact CG2-CG2 4.38Å; A696-T700 PolarHBondContact O-N 2.72Å; A696-T700 PolarHBondContact O-OG1 3.23Å; M697-T700 WeakPolarHBondContact O-CB 3.3Å; M697-T700 PolarHBondContact O-N 3.42Å; M697-T700 VanDerWaalsContact O-N 3.17Å; A698-T700 VanDerWaalsContact C-N 3.35Å; A698-T700 PolarHBondContact O-N 2.83Å; T700-A703 PolarHBondContact O-N 3.27Å; T700-L704 HydrophobicContact CG2-CD1 4.32Å; T700-L704 WeakPolarHBondContact O-CG 3.44Å; T700-L704 PolarHBondContact O-N 3.13Å
701	Y	71.9	Confident	61.2	Low	14 Å²	14	65.5 Å²	65.5	6%	0.055	37%	0.372	C	S	.	.	H	α-helix	trans	-69.5	-33.2	178.6	-76.1	-75.9	0	0	0	112.7	L534 K535 S597 V600 M697 A698 L704 N705	L534-Y701 WeakPolarHBondContact O-CE1 3.44Å; K535-Y701 HydrophobicContact CB-CD1 3.88Å; K535-Y701 HydrophobicContact CB-CD2 3.92Å; K535-Y701 HydrophobicContact CB-CE1 3.89Å; K535-Y701 HydrophobicContact CB-CE2 3.97Å; K535-Y701 HydrophobicContact CB-CG 3.9Å; S597-Y701 PolarHBondContact O-OH 2.84Å; S597-Y701 VanDerWaalsContact O-OH 3.07Å; V600-Y701 HydrophobicContact CG1-CE2 4.35Å; M697-Y701 HydrophobicContact CG-CD2 3.8Å; M697-Y701 HydrophobicContact CG-CE2 3.58Å; M697-Y701 VanDerWaalsContact O-CD2 3.23Å; M697-Y701 WeakPolarHBondContact O-CD2 3.36Å; M697-Y701 PolarHBondContact O-N 2.96Å; M697-Y701 HydrophobicContact SD-CE2 4.2Å; A698-Y701 PolarHBondContact O-N 2.98Å; Y701-L704 HydrophobicContact CD1-CD1 4.44Å; Y701-L704 PolarHBondContact O-N 3.23Å; Y701-N705 PolarHBondContact O-N 3.07Å; Y701-N705 VanDerWaalsContact O-N 3.14Å
702	S	68.8	Low	59.6	Low	68 Å²	68	66.1 Å²	66.1	48%	0.476	38%	0.379	S	S	.	.	H	α-helix	trans	-63.2	-43.2	174.1	-174.9	0	0	0	0	111.8	A698 A699 L704 N705 R706	A698-S702 WeakPolarHBondContact O-CB 3.31Å; A698-S702 PolarHBondContact O-N 2.96Å; A699-S702 PolarHBondContact O-N 2.93Å; S702-L704 PolarHBondContact O-N 3.1Å; S702-N705 PolarHBondContact O-N 3.36Å; S702-R706 PolarHBondContact O-N 3.49Å
703	A	66.1	Low	57.8	Low	2 Å²	2	69.5 Å²	69.5	2%	0.017	39%	0.393	C	S	.	.	H	α-helix	trans	-63.5	-40.7	176.7	0	0	0	0	0	112.2	P620 I623 L624 A699 T700 N705 R706	P620-A703 HydrophobicContact CB-CB 3.82Å; I623-A703 HydrophobicContact CB-CB 4.23Å; I623-A703 HydrophobicContact CG2-CB 4.18Å; L624-A703 HydrophobicContact CG-CB 4.25Å; A699-A703 WeakPolarHBondContact O-CB 3.48Å; A699-A703 PolarHBondContact O-N 3.48Å; T700-A703 PolarHBondContact O-N 3.27Å; A703-N705 VanDerWaalsContact C-N 3.31Å; A703-N705 PolarHBondContact O-N 3.15Å; A703-R706 PolarHBondContact O-N 3.31Å
704	L	64.3	Low	56.2	Low	50 Å²	50	74 Å²	74	26%	0.262	42%	0.422	S	S	.	.	H	α-helix	trans	-64.7	-32.6	177	-72.3	167.4	0	0	0	113.1	I627 T700 Y701 S702	I627-L704 HydrophobicContact CD1-CD2 3.9Å; I627-L704 HydrophobicContact CD1-CG 4.28Å; T700-L704 HydrophobicContact CG2-CD1 4.32Å; T700-L704 WeakPolarHBondContact O-CG 3.44Å; T700-L704 PolarHBondContact O-N 3.13Å; Y701-L704 HydrophobicContact CD1-CD1 4.44Å; Y701-L704 PolarHBondContact O-N 3.23Å; S702-L704 PolarHBondContact O-N 3.1Å
705	N	56.5	Low	54.6	Low	85 Å²	85	75.1 Å²	75.1	46%	0.455	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-3.1	-178.3	-76.3	-15.4	0	0	0	114.4	Y701 S702 A703 N707	Y701-N705 PolarHBondContact O-N 3.07Å; Y701-N705 VanDerWaalsContact O-N 3.14Å; S702-N705 PolarHBondContact O-N 3.36Å; A703-N705 VanDerWaalsContact C-N 3.31Å; A703-N705 PolarHBondContact O-N 3.15Å; N705-N707 VanDerWaalsContact C-N 3.29Å; N705-N707 PolarHBondContact O-N 3.19Å
706	R	54.3	Low	53.1	Low	154 Å²	154	76.6 Å²	76.6	58%	0.581	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-0.4	-177.2	-116.7	-175.6	-178.6	-178.5	3.5	115.1	E621 S702 A703 V708	E621-R706 IonicContact OE1-NH1 2.69Å; E621-R706 PolarHBondContact OE1-NH1 3.37Å; S702-R706 PolarHBondContact O-N 3.49Å; A703-R706 PolarHBondContact O-N 3.31Å; R706-V708 PolarHBondContact O-N 2.9Å
707	N	39.2	Very low	51.4	Low	123 Å²	123	79.2 Å²	79.2	66%	0.658	47%	0.467	S	S	*	.			trans	-68.4	103.9	172	-88.6	-22.1	0	0	0	110.2	N705 P709	N705-N707 VanDerWaalsContact C-N 3.29Å; N705-N707 PolarHBondContact O-N 3.19Å; N707-P709 WeakPolarHBondContact O-CD 3.42Å; N707-P709 VanDerWaalsContact O-N 3.16Å
708	V	32.6	Very low	49.9	Very low	131 Å²	131	80.7 Å²	80.7	79%	0.794	48%	0.479	S	S	*	.			trans	-57.2	111.5	177	-179.7	0	0	0	0	109.5	R706	R706-V708 PolarHBondContact O-N 2.9Å
709	P	33	Very low	48.6	Very low	96 Å²	96	83 Å²	83	62%	0.623	49%	0.486	S	S	*	.			trans	-69.3	150.9	164.7	-5.5	23.5	0	0	0	108.2	N707 V711	N707-P709 WeakPolarHBondContact O-CD 3.42Å; N707-P709 VanDerWaalsContact O-N 3.16Å; P709-V711 PolarHBondContact O-N 3.05Å
710	P	30.5	Very low	47.4	Very low	108 Å²	108	82.6 Å²	82.6	70%	0.701	48%	0.482	S	S	*	.			trans	-54.1	134.3	168.2	24.1	-31.6	0	0	0	108.6	L712	P710-L712 PolarHBondContact O-N 2.68Å
711	V	29.5	Very low	46.2	Very low	139 Å²	139	83.8 Å²	83.8	84%	0.842	49%	0.492	S	S	*	.			trans	-61.7	102.7	175.9	179	0	0	0	0	107.1	P709	P709-V711 PolarHBondContact O-N 3.05Å
712	L	37	Very low	45.3	Very low	152 Å²	152	88.1 Å²	88.1	80%	0.796	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-79.3	126.1	172.1	-68	172.4	0	0	0	107.7	P710	P710-L712 PolarHBondContact O-N 2.68Å
713	E	33.8	Very low	44.7	Very low	146 Å²	146	87.1 Å²	87.1	68%	0.682	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-67.7	157.3	175.4	-67.3	-162.5	170.8	0	0	111.6	C717	E713-C717 HydrophobicContact CB-CB 4.21Å; E713-C717 PolarHBondContact OE2-SG 3.15Å
714	P	43.6	Very low	43.7	Very low	99 Å²	99	91.4 Å²	91.4	64%	0.643	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-52.8	143.1	175.9	-25.3	34.4	0	0	0	112.2	G716 C717	P714-G716 PolarHBondContact O-N 3.22Å; P714-C717 WeakPolarHBondContact O-CB 3.41Å; P714-C717 PolarHBondContact O-N 3.01Å
715	V	39.6	Very low	42.8	Very low	94 Å²	94	91 Å²	91	57%	0.57	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-51.3	-28.2	-178.4	179.2	0	0	0	0	113.2	C717 S718 A721	V715-C717 PolarHBondContact O-N 3.14Å; V715-S718 PolarHBondContact O-N 3.24Å; V715-S718 PolarHBondContact O-OG 3.19Å; V715-A721 WeakPolarHBondContact O-CB 3.27Å
716	G	42.2	Very low	42.2	Very low	54 Å²	54	91.4 Å²	91.4	56%	0.557	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-63.7	-17	175.6	0	0	0	0	0	115.6	P714 S718	P714-G716 PolarHBondContact O-N 3.22Å; G716-S718 VanDerWaalsContact C-N 3.32Å
717	C	40.3	Very low	41.7	Very low	61 Å²	61	89 Å²	89	41%	0.412	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-80.9	-9.4	175.4	-66	0	0	0	0	113.2	E713 P714 V715	E713-C717 HydrophobicContact CB-CB 4.21Å; E713-C717 PolarHBondContact OE2-SG 3.15Å; P714-C717 WeakPolarHBondContact O-CB 3.41Å; P714-C717 PolarHBondContact O-N 3.01Å; V715-C717 PolarHBondContact O-N 3.14Å
718	S	45.2	Very low	41.7	Very low	42 Å²	42	89.4 Å²	89.4	29%	0.294	52%	0.517	S	S	.	.	S	Bend	trans	-69.1	142.3	178.5	84.9	0	0	0	0	111.1	V715 G716 L720 A721 Q722	V715-S718 PolarHBondContact O-N 3.24Å; V715-S718 PolarHBondContact O-OG 3.19Å; G716-S718 VanDerWaalsContact C-N 3.32Å; S718-L720 PolarHBondContact O-N 3.34Å; S718-L720 VanDerWaalsContact O-N 3.12Å; S718-A721 PolarHBondContact O-N 3.17Å; S718-A721 VanDerWaalsContact O-N 3.1Å; S718-A721 WeakPolarHBondContact OG-CB 3.44Å; S718-A721 PolarHBondContact OG-N 3.34Å; S718-Q722 WeakPolarHBondContact O-CG 3.32Å; S718-Q722 PolarHBondContact O-N 2.94Å
719	T	46.5	Very low	41.6	Very low	107 Å²	107	89.7 Å²	89.7	66%	0.656	51%	0.513	S	S	*	.	H	α-helix	trans	-55.6	-29	175.2	46.3	0	0	0	0	112.2
720	L	46.5	Very low	41.5	Very low	10 Å²	10	90 Å²	90	5%	0.052	51%	0.513	C	S	.	.	H	α-helix	trans	-73.8	-44.4	177.2	-166.2	57.4	0	0	0	111.9	F155 L158 S159 S718 Q722 R723	F155-L720 HydrophobicContact CE2-CD1 3.98Å; F155-L720 HydrophobicContact CZ-CD1 4.36Å; L158-L720 HydrophobicContact CG-CD2 4.4Å; S159-L720 VanDerWaalsContact CA-CD2 3.49Å; S718-L720 PolarHBondContact O-N 3.34Å; S718-L720 VanDerWaalsContact O-N 3.12Å; L720-Q722 PolarHBondContact O-N 3.07Å; L720-R723 WeakPolarHBondContact O-CB 3.38Å; L720-R723 PolarHBondContact O-N 3.14Å
721	A	48	Very low	41.5	Very low	25 Å²	25	90.6 Å²	90.6	21%	0.207	52%	0.52	C	S	.	.	H	α-helix	trans	-66.9	-34.4	175.5	0	0	0	0	0	112.6	V715 S718 R723 R724	V715-A721 WeakPolarHBondContact O-CB 3.27Å; S718-A721 PolarHBondContact O-N 3.17Å; S718-A721 VanDerWaalsContact O-N 3.1Å; S718-A721 WeakPolarHBondContact OG-CB 3.44Å; S718-A721 PolarHBondContact OG-N 3.34Å; A721-R723 PolarHBondContact O-N 3.46Å; A721-R724 WeakPolarHBondContact O-CB 3.43Å; A721-R724 PolarHBondContact O-N 3.36Å; A721-R724 VanDerWaalsContact O-N 3.14Å
722	Q	54.1	Low	41.5	Very low	104 Å²	104	90.2 Å²	90.2	49%	0.486	52%	0.518	S	S	.	.	H	α-helix	trans	-59.5	-31.4	175.2	-73	175.2	1.2	0	0	112.7	S718 L720 R724 G725 V726	S718-Q722 WeakPolarHBondContact O-CG 3.32Å; S718-Q722 PolarHBondContact O-N 2.94Å; L720-Q722 PolarHBondContact O-N 3.07Å; Q722-R724 PolarHBondContact O-N 2.94Å; Q722-G725 WeakPolarHBondContact O-CA 3.39Å; Q722-G725 PolarHBondContact O-N 2.85Å; Q722-V726 WeakPolarHBondContact O-CG2 3.2Å; Q722-V726 PolarHBondContact O-N 2.81Å
723	R	55.5	Low	41.1	Very low	47 Å²	47	87.1 Å²	87.1	18%	0.177	52%	0.515	C	S	.	.	H	α-helix	trans	-62.7	-29.8	177.5	-68.3	176.1	-178.6	175.7	0.6	113	E259 L720 A721 G725 K727	E259-R723 IonicContact OE1-NH1 3.08Å; E259-R723 PolarHBondContact OE1-NH1 3.27Å; L720-R723 WeakPolarHBondContact O-CB 3.38Å; L720-R723 PolarHBondContact O-N 3.14Å; A721-R723 PolarHBondContact O-N 3.46Å; R723-G725 VanDerWaalsContact C-N 3.31Å; R723-K727 PolarHBondContact O-N 3.24Å; R723-K727 VanDerWaalsContact O-N 3.11Å
724	R	45.8	Very low	40.7	Very low	92 Å²	92	91.5 Å²	91.5	35%	0.347	54%	0.541	S	S	.	.	H	α-helix	trans	-67.5	-33.4	173.5	-162.4	-179.9	-176.2	128	4.2	111.6	T156 D357 A721 Q722	T156-R724 PolarHBondContact OG1-NH1 3.12Å; D357-R724 VanDerWaalsContact CB-NH2 3.31Å; D357-R724 VanDerWaalsContact CG-NH2 3.32Å; D357-R724 IonicContact OD2-CZ 2.64Å; D357-R724 IonicContact OD2-NE 3.1Å; D357-R724 PolarHBondContact OD2-NE 2.66Å; D357-R724 IonicContact OD2-NH2 3.02Å; D357-R724 PolarHBondContact OD2-NH2 3.16Å; A721-R724 WeakPolarHBondContact O-CB 3.43Å; A721-R724 PolarHBondContact O-N 3.36Å; A721-R724 VanDerWaalsContact O-N 3.14Å; Q722-R724 PolarHBondContact O-N 2.94Å
725	G	45.8	Very low	40.5	Very low	42 Å²	42	91.2 Å²	91.2	43%	0.433	54%	0.536	S	S	.	.	H	α-helix	trans	-74.7	-41.7	174.8	0	0	0	0	0	113.3	Q722 R723 K728	Q722-G725 WeakPolarHBondContact O-CA 3.39Å; Q722-G725 PolarHBondContact O-N 2.85Å; R723-G725 VanDerWaalsContact C-N 3.31Å; G725-K728 WeakPolarHBondContact O-CB 3.33Å; G725-K728 PolarHBondContact O-N 3.22Å
726	V	43.7	Very low	40.6	Very low	94 Å²	94	91 Å²	91	57%	0.57	54%	0.535	S	S	*	.	H	α-helix	trans	-71.7	-34	-178	-178.2	0	0	0	0	112	Q722 K728 I729	Q722-V726 WeakPolarHBondContact O-CG2 3.2Å; Q722-V726 PolarHBondContact O-N 2.81Å; V726-K728 PolarHBondContact O-N 3.24Å; V726-K728 VanDerWaalsContact O-N 3.17Å; V726-I729 PolarHBondContact O-N 3.08Å; V726-I729 VanDerWaalsContact O-N 3.08Å
727	K	43.6	Very low	40.5	Very low	103 Å²	103	93.1 Å²	93.1	45%	0.448	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-11.2	174.2	-77.1	-173.4	-178.2	-178.7	0	114.2	E196 R723 I729	E196-K727 IonicContact OE1-NZ 3.18Å; E196-K727 PolarHBondContact OE1-NZ 2.71Å; R723-K727 PolarHBondContact O-N 3.24Å; R723-K727 VanDerWaalsContact O-N 3.11Å; K727-I729 PolarHBondContact O-N 2.9Å
728	K	39.4	Very low	40.5	Very low	131 Å²	131	94.9 Å²	94.9	57%	0.57	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-13.1	169.5	-73.5	-170.8	-179.7	-176.7	0	113.2	E359 G725 V726	E359-K728 IonicContact OE1-NZ 2.71Å; E359-K728 PolarHBondContact OE1-NZ 3.46Å; E359-K728 IonicContact OE2-NZ 3.66Å; E359-K728 PolarHBondContact OE2-NZ 3.42Å; G725-K728 WeakPolarHBondContact O-CB 3.33Å; G725-K728 PolarHBondContact O-N 3.22Å; V726-K728 PolarHBondContact O-N 3.24Å; V726-K728 VanDerWaalsContact O-N 3.17Å
729	I	29.8	Very low	40.2	Very low	138 Å²	138	98.3 Å²	98.3	71%	0.708	56%	0.556	S	S	*	*	S	Bend	trans	-111.6	-11.3	-169.8	-62.2	176.6	0	0	0	114.5	V726 K727	V726-I729 PolarHBondContact O-N 3.08Å; V726-I729 VanDerWaalsContact O-N 3.08Å; K727-I729 PolarHBondContact O-N 2.9Å
730	T	31.6	Very low	39.8	Very low	102 Å²	102	97.7 Å²	97.7	63%	0.626	55%	0.549	S	S	*	.			trans	-142.9	88.8	-173.3	35.8	0	0	0	0	115.5
731	S	29.1	Very low	39.3	Very low	120 Å²	120	103.9 Å²	103.9	84%	0.839	59%	0.585	S	S	*	*	S	Bend	trans	-155.2	30.9	146	-152.5	0	0	0	0	113
732	T	31.4	Very low	38.6	Very low	131 Å²	131	110 Å²	110	80%	0.804	61%	0.614	S	S	*	*			trans	-138	16.1	177.2	45.6	0	0	0	0	114.1
733	A	27.1	Very low	37.3	Very low	88 Å²	88	110.5 Å²	110.5	73%	0.727	63%	0.625	S	S	*	*			trans	-99.8	110.5	159.9	0	0	0	0	0	108
734	L	25.5	Very low	35.7	Very low	238 Å²	238	116.3 Å²	116.3	100%	1.246	67%	0.665	S	S	*	*			trans	91.1	0	-178.2	-55.9	165.1	0	0	0	115.8

Retrieved 734 of 734 residues in 1221.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).