A0A087X6U4_POEFO Loading...

Mitochondrial calcium uptake family member 3

AlphaFold DB , UniProt , Accession A0A087X6U4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 476 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	31	Very low	237 Å²	237	154.6 Å²	154.6	100%	1.167	88%	0.875	S	S	*	*				0	85.9	0	-58.3	-172.1	-73.7	0	0	106.9
2	A	26.8	Very low	30.8	Very low	97 Å²	97	156.3 Å²	156.3	80%	0.802	88%	0.879	S	S	*	*			cis	68.1	106.5	36	0	0	0	0	0	113.6
3	A	28.1	Very low	30.7	Very low	107 Å²	107	160.8 Å²	160.8	88%	0.884	87%	0.873	S	S	*	*			trans	65.8	103.8	160.8	0	0	0	0	0	120.5
4	A	31.5	Very low	30.5	Very low	97 Å²	97	159.2 Å²	159.2	80%	0.802	86%	0.864	S	S	*	*			trans	-153.1	156.5	135.2	0	0	0	0	0	110.2
5	L	33.3	Very low	30.2	Very low	179 Å²	179	153.7 Å²	153.7	94%	0.937	86%	0.859	S	S	*	*			trans	69.7	50.7	169.8	-56.2	173.9	0	0	0	118.4
6	R	31.4	Very low	30	Very low	243 Å²	243	151.9 Å²	151.9	92%	0.917	85%	0.852	S	S	*	*			trans	-120	112.6	135.2	-79.2	-174.2	-179.2	176.3	1	108.7
7	R	31.7	Very low	30	Very low	232 Å²	232	151.9 Å²	151.9	88%	0.875	85%	0.849	S	S	*	*			trans	162.2	105	150.6	-93	164.9	-165.3	-148.7	5	110.6
8	L	31	Very low	30.4	Very low	184 Å²	184	149.4 Å²	149.4	96%	0.963	84%	0.841	S	S	*	*			trans	-140.3	110.4	137.3	-114.3	163.3	0	0	0	105.6
9	V	32.9	Very low	30.2	Very low	122 Å²	122	150.4 Å²	150.4	74%	0.739	84%	0.838	S	S	*	*			trans	-97.8	145	-169.1	168.9	0	0	0	0	109.4
10	A	26.8	Very low	30.1	Very low	94 Å²	94	152.7 Å²	152.7	78%	0.777	84%	0.842	S	S	*	*			trans	-42.1	142.3	171.4	0	0	0	0	0	114.8
11	S	28.2	Very low	30	Very low	109 Å²	109	151.3 Å²	151.3	76%	0.762	84%	0.838	S	S	*	*			trans	-155.6	111.1	141.8	-171.1	0	0	0	0	110.1
12	L	29.5	Very low	30	Very low	175 Å²	175	145.8 Å²	145.8	92%	0.916	82%	0.82	S	S	*	*				-176	143.3	122.3	-95.6	162.3	0	0	0	109.2
13	R	28.8	Very low	30	Very low	215 Å²	215	145.5 Å²	145.5	81%	0.811	81%	0.812	S	S	*	*			trans	-137.3	137.3	-161.8	-178.3	-171.5	-179.9	-162.6	3.1	110.4
14	N	28.1	Very low	30	Very low	138 Å²	138	148.3 Å²	148.3	74%	0.738	81%	0.812	S	S	*	*			trans	66.5	132	162.5	-68.8	3.1	0	0	0	120.2
15	G	26.3	Very low	29.8	Very low	77 Å²	77	147.6 Å²	147.6	79%	0.794	81%	0.814	S	S	*	*			trans	-164	126.8	155.5	0	0	0	0	0	108.6
16	V	27.7	Very low	29.6	Very low	124 Å²	124	151 Å²	151	75%	0.752	81%	0.814	S	S	*	*			trans	-127.6	121.7	-166.8	165.4	0	0	0	0	110.9
17	L	29.8	Very low	29.6	Very low	152 Å²	152	150.3 Å²	150.3	80%	0.796	81%	0.812	S	S	*	*			trans	49	167.5	157.1	-88.2	103.5	0	0	0	119.3
18	P	36.2	Very low	29.6	Very low	108 Å²	108	146.1 Å²	146.1	70%	0.701	81%	0.812	S	S	*	*			cis	-134	157.8	12.9	38.6	-19.2	0	0	0	119.2
19	Q	27.6	Very low	29.5	Very low	167 Å²	167	144.4 Å²	144.4	78%	0.78	80%	0.803	S	S	*	*			trans	21	126	134.5	-167.2	177.4	24.8	0	0	121.4
20	Q	28.2	Very low	29.4	Very low	196 Å²	196	148.2 Å²	148.2	92%	0.916	81%	0.81	S	S	*	*			trans	-160.8	138.6	139.5	-112.7	171.3	31.5	0	0	113.7
21	T	28.3	Very low	29.5	Very low	124 Å²	124	149.3 Å²	149.3	76%	0.761	81%	0.806	S	S	*	*			trans	-111.1	153.3	166.1	48.7	0	0	0	0	108.1
22	P	37.3	Very low	29.6	Very low	121 Å²	121	150.4 Å²	150.4	79%	0.786	81%	0.808	S	S	*	*				-147.9	-150.4	63.6	46.2	-25.4	0	0	0	112.2
23	S	28.1	Very low	29.5	Very low	91 Å²	91	147 Å²	147	64%	0.636	81%	0.805	S	S	*	*			cis	-160.1	147.1	1.2	45.7	0	0	0	0	112.8
24	N	27.5	Very low	29.5	Very low	167 Å²	167	141.5 Å²	141.5	89%	0.893	81%	0.806	S	S	*	*			trans	58.1	126.1	143.7	-68.1	-15	0	0	0	124.4
25	G	26.5	Very low	29.4	Very low	81 Å²	81	138.9 Å²	138.9	84%	0.835	81%	0.811	S	S	*	*			trans	108.4	128.3	132.4	0	0	0	0	0	115.5
26	R	29.3	Very low	29.5	Very low	250 Å²	250	139.6 Å²	139.6	94%	0.943	81%	0.809	S	S	*	*			cis	-168.1	147.8	36.4	-164	174.3	-167.7	166.4	2.7	109.8
27	R	31.7	Very low	29.5	Very low	230 Å²	230	139.6 Å²	139.6	87%	0.868	81%	0.813	S	S	*	*			trans	-79.7	149.3	171.1	-69.6	173	171.2	162.9	-4.8	111.4
28	T	32.6	Very low	29.5	Very low	143 Å²	143	139.2 Å²	139.2	88%	0.877	82%	0.817	S	S	*	*			trans	-149.7	122.8	144.8	32.2	0	0	0	0	112.1
29	L	29	Very low	29.2	Very low	149 Å²	149	138.6 Å²	138.6	78%	0.78	82%	0.821	S	S	*	*			trans	-86.4	147.4	161.2	-100.2	78	0	0	0	110.3
30	K	29.6	Very low	29.4	Very low	202 Å²	202	135.2 Å²	135.2	88%	0.878	82%	0.822	S	S	*	*			trans	-149.9	116.8	141.1	-66.6	-167.2	178.3	179.8	0	105.9
31	V	29	Very low	29.3	Very low	116 Å²	116	130.7 Å²	130.7	70%	0.703	82%	0.818	S	S	*	*				72.8	98.3	57.8	-176.4	0	0	0	0	113.3
32	V	30.2	Very low	29.3	Very low	133 Å²	133	130.3 Å²	130.3	81%	0.806	83%	0.827	S	S	*	*			trans	28.4	128.1	137.1	-171.5	0	0	0	0	119.2
33	A	28.2	Very low	28.8	Very low	102 Å²	102	127.9 Å²	127.9	84%	0.843	83%	0.825	S	S	*	*			trans	-138.3	125.8	141.5	0	0	0	0	0	109.3
34	A	29.1	Very low	28.8	Very low	101 Å²	101	128.6 Å²	128.6	84%	0.835	84%	0.836	S	S	*	*			trans	-98.4	152.3	170.9	0	0	0	0	0	109.9
35	G	26.1	Very low	28.8	Very low	82 Å²	82	125.2 Å²	125.2	85%	0.845	83%	0.831	S	S	*	*			trans	-150.2	130.9	172.9	0	0	0	0	0	109.3
36	A	28.3	Very low	28.8	Very low	92 Å²	92	125.6 Å²	125.6	76%	0.76	83%	0.827	S	S	*	*			trans	-126.7	165.3	-163.2	0	0	0	0	0	113.4
37	C	26.1	Very low	28.7	Very low	124 Å²	124	121.4 Å²	121.4	84%	0.838	82%	0.822	S	S	*	*			trans	70	151.7	168.7	-57.7	0	0	0	0	114.6
38	V	30.8	Very low	28.5	Very low	144 Å²	144	120.2 Å²	120.2	87%	0.873	82%	0.819	S	S	*	*			cis	-138.8	158.2	39.8	172.9	0	0	0	0	112.3
39	A	30.6	Very low	28.1	Very low	96 Å²	96	118.1 Å²	118.1	79%	0.793	81%	0.809	S	S	*	*			trans	-112.1	150.1	-179.4	0	0	0	0	0	113.9
40	A	30.1	Very low	28	Very low	96 Å²	96	114.3 Å²	114.3	79%	0.793	81%	0.806	S	S	*	*			trans	-169.4	125.7	151.4	0	0	0	0	0	106.8
41	A	26.8	Very low	27.8	Very low	101 Å²	101	109.6 Å²	109.6	84%	0.835	80%	0.798	S	S	*	*			cis	93.4	139.6	38.8	0	0	0	0	0	113.7
42	A	28.4	Very low	27.6	Very low	115 Å²	115	111.6 Å²	111.6	95%	0.95	80%	0.804	S	S	*	*			trans	69.8	144.8	-171.4	0	0	0	0	0	116.2
43	G	26.8	Very low	27.5	Very low	71 Å²	71	111.5 Å²	111.5	73%	0.732	80%	0.804	S	S	*	*			cis	168.3	120.7	-8.1	0	0	0	0	0	114.3
44	A	28.3	Very low	27.2	Very low	105 Å²	105	109.8 Å²	109.8	87%	0.868	80%	0.795	S	S	*	*			trans	66	162.8	133.3	0	0	0	0	0	123.5
45	A	27.6	Very low	27.2	Very low	96 Å²	96	112.1 Å²	112.1	79%	0.793	80%	0.799	S	S	*	*			trans	68.9	110.4	-178.7	0	0	0	0	0	115.3
46	A	26.6	Very low	27.1	Very low	90 Å²	90	117.3 Å²	117.3	74%	0.744	80%	0.798	S	S	*	*			cis	81.7	142.7	27.2	0	0	0	0	0	116
47	L	27.9	Very low	27.3	Very low	162 Å²	162	117.7 Å²	117.7	85%	0.848	79%	0.793	S	S	*	*			trans	75.4	142.8	170	-59.2	-178.1	0	0	0	116
48	Y	26.2	Very low	27.2	Very low	205 Å²	205	123.3 Å²	123.3	80%	0.804	80%	0.797	S	S	*	*			cis	-161.1	173.4	-9.1	-175.6	-109.6	0	0	0	111
49	C	24.4	Very low	26.9	Very low	98 Å²	98	121.7 Å²	121.7	66%	0.662	79%	0.792	S	S	*	*			trans	-57.4	162.6	179.7	-52.4	0	0	0	0	116.3
50	G	26.6	Very low	26.7	Very low	69 Å²	69	124.4 Å²	124.4	71%	0.711	79%	0.792	S	S	*	*			trans	145.7	74.2	163.2	0	0	0	0	0	113
51	S	26	Very low	26.5	Very low	104 Å²	104	125.4 Å²	125.4	73%	0.727	79%	0.788	S	S	*	*				76.7	127.1	77	-66.5	0	0	0	0	115.6
52	L	25.1	Very low	26.4	Very low	158 Å²	158	129 Å²	129	83%	0.827	79%	0.788	S	S	*	*			trans	80.8	127	146.5	-69.5	162.8	0	0	0	120.6
53	V	27.1	Very low	26.2	Very low	131 Å²	131	128 Å²	128	79%	0.794	78%	0.779	S	S	*	*			trans	61.3	108.1	144.6	-176.1	0	0	0	0	115
54	G	23.2	Very low	26.1	Very low	65 Å²	65	135.6 Å²	135.6	67%	0.67	79%	0.786	S	S	*	*			cis	94.9	112.2	27.3	0	0	0	0	0	110.4
55	V	27.6	Very low	25.9	Very low	150 Å²	150	137.4 Å²	137.4	91%	0.909	78%	0.78	S	S	*	*			trans	-176.6	133.1	151.2	143.1	0	0	0	0	108.2
56	K	24.1	Very low	25.8	Very low	191 Å²	191	138.1 Å²	138.1	83%	0.83	77%	0.774	S	S	*	*			trans	-70.9	-175.6	173	-84.3	174.8	178	173.6	0	111.4
57	P	33.2	Very low	25.6	Very low	101 Å²	101	141.6 Å²	141.6	66%	0.656	78%	0.775	S	S	*	*			cis	-138.1	178.2	-16.6	22.8	1.9	0	0	0	115.7
58	R	24.4	Very low	25.5	Very low	241 Å²	241	141.8 Å²	141.8	91%	0.909	78%	0.776	S	S	*	*			trans	46.4	114.4	139.1	-70.2	168.7	170.9	169.9	-5	121.1
59	S	24.5	Very low	25.3	Very low	110 Å²	110	135.6 Å²	135.6	77%	0.769	77%	0.767	S	S	*	*				177.5	114.3	115	-174.9	0	0	0	0	107.7
60	L	25.4	Very low	25.3	Very low	154 Å²	154	138.7 Å²	138.7	81%	0.806	78%	0.776	S	S	*	*				69	134	78.2	-137.3	163	0	0	0	113.2
61	V	25.9	Very low	25.2	Very low	117 Å²	117	140.7 Å²	140.7	71%	0.709	78%	0.777	S	S	*	*			trans	80.1	101.4	-176.8	-166.2	0	0	0	0	112.9
62	E	24.4	Very low	25.1	Very low	177 Å²	177	142 Å²	142	83%	0.827	78%	0.781	S	S	*	*				83.3	94.6	55	-170.5	-179.1	-154.8	0	0	114.1
63	A	25.7	Very low	25.1	Very low	92 Å²	92	141.1 Å²	141.1	76%	0.76	78%	0.781	S	S	*	*			trans	173	104.3	153.1	0	0	0	0	0	107.8
64	R	23.9	Very low	25.2	Very low	231 Å²	231	139.6 Å²	139.6	87%	0.872	78%	0.776	S	S	*	*				68.5	116.8	85.3	-80.4	-167.3	176.3	-170.1	0.7	116.2
65	L	23.3	Very low	25.3	Very low	143 Å²	143	141 Å²	141	75%	0.749	78%	0.782	S	S	*	*			trans	82.1	99.6	146.7	-87.8	93.2	0	0	0	122.1
66	V	25.5	Very low	25.2	Very low	111 Å²	111	138 Å²	138	67%	0.673	77%	0.773	S	S	*	*				97	139.2	103.8	157.6	0	0	0	0	121.6
67	H	23.8	Very low	25.2	Very low	164 Å²	164	136.2 Å²	136.2	76%	0.759	77%	0.772	S	S	*	*			trans	77.7	110.9	164.2	-83	-51.4	0	0	0	121.3
68	L	24.4	Very low	24.8	Very low	165 Å²	165	140.4 Å²	140.4	86%	0.864	78%	0.78	S	S	*	*				173	94.3	120.1	-87.6	159.9	0	0	0	107
69	A	23.1	Very low	24.8	Very low	76 Å²	76	133.6 Å²	133.6	63%	0.628	78%	0.776	S	S	*	*				47.6	97.1	85.2	0	0	0	0	0	111.8
70	L	23.5	Very low	24.8	Very low	162 Å²	162	135.4 Å²	135.4	85%	0.848	77%	0.77	S	S	*	*				171.6	178.1	79.9	-85.2	168.1	0	0	0	107.9
71	P	24.5	Very low	24.7	Very low	112 Å²	112	134.5 Å²	134.5	73%	0.727	77%	0.771	S	S	*	*			cis	-124.1	163.8	-15.5	33.6	-16.7	0	0	0	114.1
72	T	25	Very low	24.8	Very low	131 Å²	131	136 Å²	136	80%	0.804	77%	0.765	S	S	*	*			trans	-73.2	132.9	171.9	-46.5	0	0	0	0	112.1
73	V	25.5	Very low	25	Very low	139 Å²	139	135.5 Å²	135.5	84%	0.842	77%	0.767	S	S	*	*			trans	-120.4	116.4	154.9	177.3	0	0	0	0	108.3	A75	V73-A75 PolarHBondContact O-N 2.72Å
74	S	27.5	Very low	25.3	Very low	99 Å²	99	136.9 Å²	136.9	69%	0.692	76%	0.762	S	S	*	*			trans	-84.3	104.7	-179.1	-177.2	0	0	0	0	110.4	A76	S74-A76 PolarHBondContact O-N 2.65Å
75	A	25.4	Very low	26.1	Very low	94 Å²	94	131 Å²	131	78%	0.777	75%	0.747	S	S	*	*			trans	-83.6	94.6	156.2	0	0	0	0	0	107.5	V73 D77	V73-A75 PolarHBondContact O-N 2.72Å; A75-D77 PolarHBondContact O-N 3.01Å
76	A	26.1	Very low	27	Very low	88 Å²	88	129.1 Å²	129.1	73%	0.727	74%	0.738	S	S	*	*			trans	-75.8	71.8	178.8	0	0	0	0	0	110.6	S74 K78	S74-A76 PolarHBondContact O-N 2.65Å; A76-K78 PolarHBondContact O-N 3.29Å
77	D	24.9	Very low	28	Very low	153 Å²	153	124.6 Å²	124.6	82%	0.818	71%	0.714	S	S	*	*			trans	-73.1	124.6	173.9	-150.5	-8.2	0	0	0	109.7	A75 A79	A75-D77 PolarHBondContact O-N 3.01Å; D77-A79 VanDerWaalsContact C-N 3.34Å; D77-A79 PolarHBondContact O-N 3.15Å
78	K	24.3	Very low	29.1	Very low	190 Å²	190	119 Å²	119	83%	0.826	69%	0.689	S	S	*	*			trans	-79.8	87.1	-175.9	-76.8	-178.3	178.2	176.1	0	108.6	A76 K80	A76-K78 PolarHBondContact O-N 3.29Å; K78-K80 VanDerWaalsContact C-N 3.34Å; K78-K80 PolarHBondContact O-N 3.13Å
79	A	24.3	Very low	30.5	Very low	98 Å²	98	114.6 Å²	114.6	81%	0.81	67%	0.669	S	S	*	*			trans	-55	98.4	166.3	0	0	0	0	0	109.5	D77 T81	D77-A79 VanDerWaalsContact C-N 3.34Å; D77-A79 PolarHBondContact O-N 3.15Å; A79-T81 PolarHBondContact O-N 2.89Å
80	K	23.7	Very low	31.9	Very low	148 Å²	148	113.1 Å²	113.1	64%	0.643	65%	0.648	S	S	*	*			trans	-64.4	119.9	165.8	-73.2	169.9	178.5	171.1	0	106.7	K78 Y82	K78-K80 VanDerWaalsContact C-N 3.34Å; K78-K80 PolarHBondContact O-N 3.13Å; K80-Y82 VanDerWaalsContact C-N 3.32Å; K80-Y82 HydrophobicContact CB-CD2 4.34Å; K80-Y82 HydrophobicContact CB-CE1 4.13Å; K80-Y82 HydrophobicContact CB-CE2 3.96Å; K80-Y82 HydrophobicContact CD-CE1 3.93Å; K80-Y82 WeakPolarHBondContact CD-OH 3.3Å; K80-Y82 WeakPolarHBondContact O-CD2 3.39Å; K80-Y82 PolarHBondContact O-N 3.11Å
81	T	23.9	Very low	33.8	Very low	135 Å²	135	106.5 Å²	106.5	83%	0.828	61%	0.613	S	S	*	*			trans	-63.6	99.8	159.1	34.2	0	0	0	0	107.5	A79	A79-T81 PolarHBondContact O-N 2.89Å
82	Y	29.1	Very low	35.8	Very low	148 Å²	148	103.6 Å²	103.6	58%	0.58	60%	0.595	S	S	*	*			trans	-80.5	119.5	163.5	-61.4	-71.3	0	0	0	107.3	K80 L84	K80-Y82 VanDerWaalsContact C-N 3.32Å; K80-Y82 HydrophobicContact CB-CD2 4.34Å; K80-Y82 HydrophobicContact CB-CE1 4.13Å; K80-Y82 HydrophobicContact CB-CE2 3.96Å; K80-Y82 HydrophobicContact CD-CE1 3.93Å; K80-Y82 WeakPolarHBondContact CD-OH 3.3Å; K80-Y82 WeakPolarHBondContact O-CD2 3.39Å; K80-Y82 PolarHBondContact O-N 3.11Å; Y82-L84 VanDerWaalsContact C-N 3.27Å; Y82-L84 PolarHBondContact O-N 2.87Å
83	D	27.7	Very low	38.3	Very low	166 Å²	166	99 Å²	99	89%	0.888	57%	0.567	S	S	*	*			trans	-68.3	90.9	165.9	-65.4	-49.2	0	0	0	107.5
84	L	31.1	Very low	41	Very low	122 Å²	122	93.7 Å²	93.7	64%	0.639	53%	0.532	S	S	*	.			trans	-70.4	126.7	172.5	-65.7	174.2	0	0	0	108.4	Y82	Y82-L84 VanDerWaalsContact C-N 3.27Å; Y82-L84 PolarHBondContact O-N 2.87Å
85	D	40.8	Very low	43.8	Very low	107 Å²	107	90.1 Å²	90.1	57%	0.572	50%	0.504	S	S	*	.			trans	-64.7	145.9	175.7	-179.5	32.9	0	0	0	110.2	G87 D88	D85-G87 PolarHBondContact O-N 2.83Å; D85-G87 VanDerWaalsContact O-N 3.17Å; D85-D88 WeakPolarHBondContact O-CA 3.49Å; D85-D88 WeakPolarHBondContact O-CB 3.43Å; D85-D88 PolarHBondContact O-N 3.14Å
86	D	43.4	Very low	46.7	Very low	104 Å²	104	90.1 Å²	90.1	56%	0.556	49%	0.492	S	S	*	.	H	α-helix	trans	-60.9	-31.2	-175	-164.1	40	0	0	0	110.8	D88 V89 Y90 T257	D86-D88 PolarHBondContact O-N 3.14Å; D86-V89 PolarHBondContact O-N 3.44Å; D86-Y90 WeakPolarHBondContact O-CB 3.47Å; D86-Y90 PolarHBondContact O-N 2.91Å; D86-T257 HydrophobicContact CB-CG2 4.26Å
87	G	45.2	Very low	49.6	Very low	15 Å²	15	89.2 Å²	89.2	16%	0.155	47%	0.469	C	S	.	.	H	α-helix	trans	-65.8	-14.1	172.1	0	0	0	0	0	115.8	D85 M91	D85-G87 PolarHBondContact O-N 2.83Å; D85-G87 VanDerWaalsContact O-N 3.17Å; G87-M91 WeakPolarHBondContact O-CG 3.43Å; G87-M91 PolarHBondContact O-N 2.75Å
88	D	47.4	Very low	52.8	Low	46 Å²	46	81.9 Å²	81.9	25%	0.246	43%	0.43	C	S	.	.	H	α-helix	trans	-84.8	-45.3	178.8	-61.8	17.1	0	0	0	110	D85 D86 Y90 S92 K220	D85-D88 WeakPolarHBondContact O-CA 3.49Å; D85-D88 WeakPolarHBondContact O-CB 3.43Å; D85-D88 PolarHBondContact O-N 3.14Å; D86-D88 PolarHBondContact O-N 3.14Å; D88-Y90 VanDerWaalsContact C-N 3.35Å; D88-S92 PolarHBondContact O-N 3.01Å; D88-S92 PolarHBondContact O-OG 2.9Å; D88-K220 WeakPolarHBondContact OD1-CE 3.16Å; D88-K220 IonicContact OD1-NZ 3.24Å; D88-K220 PolarHBondContact OD1-NZ 3.3Å; D88-K220 WeakPolarHBondContact OD2-CE 3.26Å; D88-K220 IonicContact OD2-NZ 2.76Å; D88-K220 PolarHBondContact OD2-NZ 3.27Å
89	V	53.5	Low	55.9	Low	74 Å²	74	74.6 Å²	74.6	45%	0.448	40%	0.397	S	S	.	.	H	α-helix	trans	-60.3	-48.6	170.3	-175	0	0	0	0	109.1	D86 M91 S92 T93	D86-V89 PolarHBondContact O-N 3.44Å; V89-M91 PolarHBondContact O-N 3.2Å; V89-S92 PolarHBondContact O-N 3.04Å; V89-S92 PolarHBondContact O-OG 2.87Å; V89-T93 HydrophobicContact CG1-CG2 4.37Å; V89-T93 WeakPolarHBondContact O-CG2 3.45Å; V89-T93 PolarHBondContact O-N 3.07Å
90	Y	52.7	Low	59.1	Low	44 Å²	44	73.6 Å²	73.6	17%	0.173	38%	0.378	C	S	.	.	H	α-helix	trans	-49.4	-53.7	176.6	-176.7	-103.3	0	0	0	113.3	D86 D88 S92 T93 Y94 D453	D86-Y90 WeakPolarHBondContact O-CB 3.47Å; D86-Y90 PolarHBondContact O-N 2.91Å; D88-Y90 VanDerWaalsContact C-N 3.35Å; Y90-S92 PolarHBondContact O-N 3.34Å; Y90-T93 PolarHBondContact O-N 2.74Å; Y90-T93 PolarHBondContact O-OG1 3.27Å; Y90-Y94 HydrophobicContact CD1-CE2 4.12Å; Y90-Y94 AromaticContact CD2-CE2 3.93Å; Y90-Y94 HydrophobicContact CD2-CE2 3.93Å; Y90-Y94 HydrophobicContact CE1-CD2 4.44Å; Y90-Y94 AromaticContact CE1-CE2 3.77Å; Y90-Y94 HydrophobicContact CE1-CE2 3.77Å; Y90-Y94 AromaticContact CE2-CE2 3.57Å; Y90-Y94 HydrophobicContact CE2-CE2 3.57Å; Y90-Y94 HydrophobicContact CG-CE2 4.19Å; Y90-Y94 AromaticContact CZ-CE2 3.46Å; Y90-Y94 VanDerWaalsContact CZ-CE2 3.46Å; Y90-Y94 WeakPolarHBondContact O-CD2 3.49Å; Y90-Y94 PolarHBondContact OH-OH 3.48Å; Y90-D453 WeakPolarHBondContact CD2-OD1 3.5Å; Y90-D453 WeakPolarHBondContact CD2-OD2 3.48Å; Y90-D453 VanDerWaalsContact CE2-CG 3.5Å; Y90-D453 WeakPolarHBondContact CE2-OD1 3.29Å; Y90-D453 WeakPolarHBondContact CE2-OD2 3.34Å
91	M	62.7	Low	62.3	Low	23 Å²	23	66.7 Å²	66.7	11%	0.113	35%	0.348	C	S	.	.	H	α-helix	trans	-71.5	-34.5	-177.2	-60.4	-85.8	60	0	0	112.8	G87 V89 T93 Y94 E95 K216 M260	G87-M91 WeakPolarHBondContact O-CG 3.43Å; G87-M91 PolarHBondContact O-N 2.75Å; V89-M91 PolarHBondContact O-N 3.2Å; M91-T93 VanDerWaalsContact C-N 3.32Å; M91-T93 PolarHBondContact O-N 2.93Å; M91-Y94 HydrophobicContact CE-CD2 3.86Å; M91-Y94 HydrophobicContact CE-CE2 4.41Å; M91-Y94 PolarHBondContact O-N 3.25Å; M91-E95 PolarHBondContact O-N 3.1Å; M91-E95 VanDerWaalsContact O-N 3.14Å; M91-K216 HydrophobicContact SD-CD 4.37Å; M91-K216 PolarHBondContact SD-NZ 2.93Å; M91-M260 HydrophobicContact CE-SD 3.87Å
92	S	68.3	Low	65.6	Low	51 Å²	51	60.6 Å²	60.6	36%	0.357	31%	0.311	S	S	.	.	H	α-helix	trans	-69.5	-26.3	178.3	67.7	0	0	0	0	113.3	D88 V89 Y90 N96	D88-S92 PolarHBondContact O-N 3.01Å; D88-S92 PolarHBondContact O-OG 2.9Å; V89-S92 PolarHBondContact O-N 3.04Å; V89-S92 PolarHBondContact O-OG 2.87Å; Y90-S92 PolarHBondContact O-N 3.34Å; S92-N96 WeakPolarHBondContact O-CB 3.47Å; S92-N96 PolarHBondContact O-N 2.84Å; S92-N96 PolarHBondContact O-ND2 3.01Å
93	T	76.7	Confident	68.6	Low	36 Å²	36	54.4 Å²	54.4	22%	0.221	29%	0.289	C	S	.	.	H	α-helix	trans	-64.6	-46.9	174	70.3	0	0	0	0	110.9	V89 Y90 M91 N96 R97 D453	V89-T93 HydrophobicContact CG1-CG2 4.37Å; V89-T93 WeakPolarHBondContact O-CG2 3.45Å; V89-T93 PolarHBondContact O-N 3.07Å; Y90-T93 PolarHBondContact O-N 2.74Å; Y90-T93 PolarHBondContact O-OG1 3.27Å; M91-T93 VanDerWaalsContact C-N 3.32Å; M91-T93 PolarHBondContact O-N 2.93Å; T93-N96 PolarHBondContact O-N 3.03Å; T93-R97 WeakPolarHBondContact O-CB 3.38Å; T93-R97 PolarHBondContact O-N 2.8Å; T93-D453 PolarHBondContact OG1-OD1 3.02Å
94	Y	82.5	Confident	71.7	Confident	27 Å²	27	46.7 Å²	46.7	11%	0.106	25%	0.248	C	C	.	.	H	α-helix	trans	-67.1	-39	177.8	-63.1	-68.6	0	0	0	112.6	Y90 M91 F98 L173 L176 D453	Y90-Y94 HydrophobicContact CD1-CE2 4.12Å; Y90-Y94 AromaticContact CD2-CE2 3.93Å; Y90-Y94 HydrophobicContact CD2-CE2 3.93Å; Y90-Y94 HydrophobicContact CE1-CD2 4.44Å; Y90-Y94 AromaticContact CE1-CE2 3.77Å; Y90-Y94 HydrophobicContact CE1-CE2 3.77Å; Y90-Y94 AromaticContact CE2-CE2 3.57Å; Y90-Y94 HydrophobicContact CE2-CE2 3.57Å; Y90-Y94 HydrophobicContact CG-CE2 4.19Å; Y90-Y94 AromaticContact CZ-CE2 3.46Å; Y90-Y94 VanDerWaalsContact CZ-CE2 3.46Å; Y90-Y94 WeakPolarHBondContact O-CD2 3.49Å; Y90-Y94 PolarHBondContact OH-OH 3.48Å; M91-Y94 HydrophobicContact CE-CD2 3.86Å; M91-Y94 HydrophobicContact CE-CE2 4.41Å; M91-Y94 PolarHBondContact O-N 3.25Å; Y94-F98 VanDerWaalsContact O-CB 3.24Å; Y94-F98 WeakPolarHBondContact O-CB 3.34Å; Y94-F98 PolarHBondContact O-N 3.16Å; Y94-L173 HydrophobicContact CG-CD2 4.04Å; Y94-L176 HydrophobicContact CD1-CD1 3.46Å; Y94-L176 VanDerWaalsContact CD1-CD1 3.46Å; Y94-L176 HydrophobicContact CE1-CD1 3.65Å; Y94-L176 HydrophobicContact CG-CD1 4.48Å; Y94-D453 WeakPolarHBondContact CE2-OD1 3.35Å; Y94-D453 PolarHBondContact OH-OD1 2.91Å
95	E	86.1	Confident	74.6	Confident	23 Å²	23	43.5 Å²	43.5	11%	0.107	23%	0.23	C	C	.	.	H	α-helix	trans	-60.1	-47.4	172.7	-73.5	-161.3	-173.4	0	0	111.6	M91 F98 R99 Y169 K217 L236	M91-E95 PolarHBondContact O-N 3.1Å; M91-E95 VanDerWaalsContact O-N 3.14Å; E95-F98 WeakPolarHBondContact O-CB 3.19Å; E95-F98 PolarHBondContact O-N 2.86Å; E95-R99 WeakPolarHBondContact O-CG 3.4Å; E95-R99 PolarHBondContact O-N 3.22Å; E95-R99 IonicContact OE2-CZ 3Å; E95-R99 IonicContact OE2-NH1 2.86Å; E95-R99 PolarHBondContact OE2-NH1 3.31Å; E95-R99 IonicContact OE2-NH2 2.76Å; E95-R99 PolarHBondContact OE2-NH2 2.67Å; E95-Y169 HydrophobicContact CG-CE1 4.16Å; E95-Y169 HydrophobicContact CG-CE2 4.24Å; E95-Y169 WeakPolarHBondContact CG-OH 3.31Å; E95-K217 IonicContact OE1-NZ 3.27Å; E95-K217 PolarHBondContact OE1-NZ 3.19Å; E95-K217 IonicContact OE2-NZ 3.66Å; E95-L236 HydrophobicContact CB-CD1 4.43Å; E95-L236 HydrophobicContact CG-CD1 3.65Å; E95-L236 WeakPolarHBondContact OE1-CD1 3.44Å; E95-L236 WeakPolarHBondContact OE2-CD1 3.36Å
96	N	85.6	Confident	76.9	Confident	95 Å²	95	38.5 Å²	38.5	51%	0.508	20%	0.203	S	C	.	.	H	α-helix	trans	-65.9	-41.8	-178.9	-72.7	-30.5	0	0	0	111.7	S92 T93 F98 R99 L100	S92-N96 WeakPolarHBondContact O-CB 3.47Å; S92-N96 PolarHBondContact O-N 2.84Å; S92-N96 PolarHBondContact O-ND2 3.01Å; T93-N96 PolarHBondContact O-N 3.03Å; N96-F98 VanDerWaalsContact C-N 3.31Å; N96-R99 PolarHBondContact O-N 3.43Å; N96-L100 VanDerWaalsContact O-CB 3.3Å; N96-L100 WeakPolarHBondContact O-CB 3.37Å; N96-L100 PolarHBondContact O-N 3.37Å
97	R	88.7	Confident	79	Confident	68 Å²	68	39.6 Å²	39.6	26%	0.257	21%	0.205	S	C	.	.	H	α-helix	trans	-65	-36.4	173.6	-169.2	166.6	-173.3	76.6	-0.6	111.7	T93 F101 S120 L123 N124	T93-R97 WeakPolarHBondContact O-CB 3.38Å; T93-R97 PolarHBondContact O-N 2.8Å; R97-F101 HydrophobicContact CG-CD2 4.15Å; R97-F101 HydrophobicContact CG-CE2 4.27Å; R97-F101 WeakPolarHBondContact O-CD2 3.49Å; R97-F101 PolarHBondContact O-N 2.85Å; R97-S120 PolarHBondContact NE-O 3.24Å; R97-S120 PolarHBondContact NH2-O 2.77Å; R97-L123 PolarHBondContact NH2-O 3.18Å; R97-N124 PolarHBondContact NH1-O 3.37Å
98	F	91.4	Very high	80.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.1	-52.7	175.1	-178.5	-98.5	0	0	0	111.2	Y94 E95 N96 L100 F101 S102 L110 M112 Y169 Y172 L236	Y94-F98 VanDerWaalsContact O-CB 3.24Å; Y94-F98 WeakPolarHBondContact O-CB 3.34Å; Y94-F98 PolarHBondContact O-N 3.16Å; E95-F98 WeakPolarHBondContact O-CB 3.19Å; E95-F98 PolarHBondContact O-N 2.86Å; N96-F98 VanDerWaalsContact C-N 3.31Å; F98-L100 VanDerWaalsContact C-N 3.34Å; F98-L100 PolarHBondContact O-N 2.87Å; F98-F101 PolarHBondContact O-N 2.92Å; F98-S102 VanDerWaalsContact O-CB 3.3Å; F98-S102 WeakPolarHBondContact O-CB 3.46Å; F98-S102 PolarHBondContact O-N 2.9Å; F98-L110 HydrophobicContact CE1-CB 4.08Å; F98-L110 WeakPolarHBondContact CE1-O 3.33Å; F98-L110 WeakPolarHBondContact CZ-O 3.36Å; F98-M112 HydrophobicContact CB-CE 4.29Å; F98-M112 HydrophobicContact CD2-CE 3.6Å; F98-M112 HydrophobicContact CD2-CG 4.02Å; F98-M112 HydrophobicContact CD2-SD 3.98Å; F98-M112 HydrophobicContact CE2-CB 4.29Å; F98-M112 HydrophobicContact CE2-CE 4.24Å; F98-M112 HydrophobicContact CE2-CG 3.72Å; F98-M112 HydrophobicContact CE2-SD 4.17Å; F98-M112 HydrophobicContact CG-CE 4.15Å; F98-M112 HydrophobicContact CZ-CG 4.46Å; F98-M112 VanDerWaalsContact O-CE 3.32Å; F98-M112 WeakPolarHBondContact O-CE 3.14Å; F98-Y169 HydrophobicContact CB-CD2 3.73Å; F98-Y169 HydrophobicContact CB-CE2 4.07Å; F98-Y169 AromaticContact CD1-CD2 3.97Å; F98-Y169 HydrophobicContact CD1-CD2 3.97Å; F98-Y169 HydrophobicContact CD1-CG 4.43Å; F98-Y169 AromaticContact CD2-CD2 3.98Å; F98-Y169 HydrophobicContact CD2-CD2 3.98Å; F98-Y169 AromaticContact CG-CD2 3.62Å; F98-Y169 HydrophobicContact CG-CD2 3.62Å; F98-Y169 HydrophobicContact CG-CE2 4.45Å; F98-Y169 HydrophobicContact CG-CG 4.45Å; F98-Y172 HydrophobicContact CB-CD1 4.06Å; F98-Y172 HydrophobicContact CB-CE1 3.98Å; F98-Y172 AromaticContact CD2-CD1 3.69Å; F98-Y172 HydrophobicContact CD2-CD1 3.69Å; F98-Y172 HydrophobicContact CD2-CD2 4.43Å; F98-Y172 HydrophobicContact CD2-CE1 4.34Å; F98-Y172 AromaticContact CD2-CG 3.73Å; F98-Y172 HydrophobicContact CD2-CG 3.73Å; F98-Y172 HydrophobicContact CE2-CG 4.36Å; F98-Y172 HydrophobicContact CG-CD1 4.28Å; F98-L236 HydrophobicContact CD1-CD2 3.72Å; F98-L236 HydrophobicContact CE1-CD2 4.13Å
99	R	89.8	Confident	83	Confident	36 Å²	36	38.1 Å²	38.1	14%	0.136	20%	0.198	C	C	.	.	H	α-helix	trans	-56.7	-45.3	176.4	-68.6	-177.6	-176.2	101.1	8.6	111.7	E95 N96 F101 S102 L110 Q232	E95-R99 WeakPolarHBondContact O-CG 3.4Å; E95-R99 PolarHBondContact O-N 3.22Å; E95-R99 IonicContact OE2-CZ 3Å; E95-R99 IonicContact OE2-NH1 2.86Å; E95-R99 PolarHBondContact OE2-NH1 3.31Å; E95-R99 IonicContact OE2-NH2 2.76Å; E95-R99 PolarHBondContact OE2-NH2 2.67Å; N96-R99 PolarHBondContact O-N 3.43Å; R99-F101 VanDerWaalsContact C-N 3.34Å; R99-F101 PolarHBondContact O-N 3.39Å; R99-S102 PolarHBondContact O-N 2.65Å; R99-S102 PolarHBondContact O-OG 3.43Å; R99-L110 HydrophobicContact CG-CD1 4.14Å; R99-Q232 PolarHBondContact NH2-O 3.02Å
100	L	89.8	Confident	84.9	Confident	78 Å²	78	34.6 Å²	34.6	41%	0.408	18%	0.177	S	C	.	.	H	α-helix	trans	-59.5	-36.8	-178.6	178.1	62.5	0	0	0	114.2	N96 F98 P126	N96-L100 VanDerWaalsContact O-CB 3.3Å; N96-L100 WeakPolarHBondContact O-CB 3.37Å; N96-L100 PolarHBondContact O-N 3.37Å; F98-L100 VanDerWaalsContact C-N 3.34Å; F98-L100 PolarHBondContact O-N 2.87Å; L100-P126 HydrophobicContact CD1-CG 4.4Å; L100-P126 HydrophobicContact CG-CG 4.48Å
101	F	91.9	Very high	86.9	Confident	3 Å²	3	32.6 Å²	32.6	1%	0.013	17%	0.169	C	C	.	.	H	α-helix	trans	-101.1	-14.1	-177.9	-76.7	-98.5	0	0	0	113.4	R97 F98 R99 M112 N116 E119 P126	R97-F101 HydrophobicContact CG-CD2 4.15Å; R97-F101 HydrophobicContact CG-CE2 4.27Å; R97-F101 WeakPolarHBondContact O-CD2 3.49Å; R97-F101 PolarHBondContact O-N 2.85Å; F98-F101 PolarHBondContact O-N 2.92Å; R99-F101 VanDerWaalsContact C-N 3.34Å; R99-F101 PolarHBondContact O-N 3.39Å; F101-M112 HydrophobicContact CB-CE 3.57Å; F101-N116 VanDerWaalsContact O-CB 3.22Å; F101-N116 WeakPolarHBondContact O-CB 3.35Å; F101-N116 PolarHBondContact O-ND2 2.91Å; F101-E119 HydrophobicContact CD1-CB 3.91Å; F101-E119 VanDerWaalsContact CE1-C 3.47Å; F101-E119 HydrophobicContact CE1-CB 3.88Å; F101-E119 WeakPolarHBondContact CE1-O 3.25Å; F101-P126 HydrophobicContact CD1-CB 3.95Å; F101-P126 HydrophobicContact CE1-CB 3.99Å
102	S	92.9	Very high	88.4	Confident	7 Å²	7	31.5 Å²	31.5	5%	0.049	16%	0.164	C	C	.	.			trans	-56.9	141.6	172.9	68	0	0	0	0	112	F98 R99 W132	F98-S102 VanDerWaalsContact O-CB 3.3Å; F98-S102 WeakPolarHBondContact O-CB 3.46Å; F98-S102 PolarHBondContact O-N 2.9Å; R99-S102 PolarHBondContact O-N 2.65Å; R99-S102 PolarHBondContact O-OG 3.43Å; S102-W132 PolarHBondContact O-NE1 3.06Å; S102-W132 PolarHBondContact OG-NE1 3.49Å
103	S	92.3	Very high	89.7	Confident	18 Å²	18	29.2 Å²	29.2	13%	0.126	15%	0.147	C	C	.	.			trans	-138	-2.1	-177.9	73.2	0	0	0	0	114.9	Y111 N116 K133	S103-Y111 PolarHBondContact N-O 3.16Å; S103-N116 PolarHBondContact OG-OD1 2.93Å; S103-K133 PolarHBondContact O-N 3.49Å
104	V	92.4	Very high	90.6	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.024	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	138.8	178	176.2	0	0	0	0	108.6	Y111 T113 K133 F135	V104-Y111 PolarHBondContact N-O 3.44Å; V104-Y111 PolarHBondContact O-N 3.05Å; V104-T113 HydrophobicContact CG2-CG2 3.95Å; V104-K133 WeakPolarHBondContact CA-O 3.09Å; V104-F135 HydrophobicContact CG1-CB 4.49Å; V104-F135 HydrophobicContact CG1-CD2 3.54Å; V104-F135 HydrophobicContact CG1-CE2 3.85Å; V104-F135 HydrophobicContact CG1-CG 4.01Å; V104-F135 HydrophobicContact CG2-CE2 4.07Å; V104-F135 HydrophobicContact CG2-CZ 4.3Å
105	E	92.4	Very high	91.2	Very high	54 Å²	54	28.6 Å²	28.6	25%	0.252	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.8	172.7	177.3	-165.6	-158.6	0	0	107.8	Q109 L110 W132 K133 S134 F135	E105-Q109 CarbonylContact C-O 3.56Å; E105-Q109 WeakPolarHBondContact CA-O 3.46Å; E105-L110 HydrophobicContact CB-CD2 4.12Å; E105-L110 HydrophobicContact CG-CD2 4.32Å; E105-W132 HydrophobicContact CB-CB 4.3Å; E105-K133 PolarHBondContact N-O 2.81Å; E105-S134 CarbonylContact O-C 3.59Å; E105-S134 WeakPolarHBondContact O-CA 3.23Å; E105-S134 PolarHBondContact OE2-OG 3.4Å; E105-F135 PolarHBondContact O-N 2.93Å
106	C	90.1	Very high	91.6	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.014	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	123.7	172.3	-175.6	0	0	0	0	108.7	G108 Q109 Y111 L140	C106-G108 PolarHBondContact O-N 2.91Å; C106-G108 VanDerWaalsContact O-N 3.15Å; C106-Q109 PolarHBondContact N-O 3.14Å; C106-Q109 PolarHBondContact O-N 3.05Å; C106-Y111 HydrophobicContact CB-CD2 4.3Å; C106-Y111 HydrophobicContact CB-CE2 3.95Å; C106-L140 HydrophobicContact CB-CD2 4.09Å
107	E	87.6	Confident	92.1	Very high	127 Å²	127	23.7 Å²	23.7	59%	0.593	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	36.1	179.1	-62.5	174.4	177.8	0	0	113.1	Q109	E107-Q109 VanDerWaalsContact C-N 3.31Å; E107-Q109 PolarHBondContact O-N 3.5Å
108	G	84.9	Confident	92.3	Very high	20 Å²	20	21.2 Å²	21.2	21%	0.206	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	-8.7	-179.3	0	0	0	0	0	115.6	C106 Q235	C106-G108 PolarHBondContact O-N 2.91Å; C106-G108 VanDerWaalsContact O-N 3.15Å; G108-Q235 WeakPolarHBondContact O-CA 3.49Å
109	Q	90.8	Very high	92.3	Very high	11 Å²	11	22.4 Å²	22.4	5%	0.051	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	138.5	175.5	-171.3	176.2	12.8	0	0	111.4	E105 C106 E107 Y111 L236 Y237	E105-Q109 CarbonylContact C-O 3.56Å; E105-Q109 WeakPolarHBondContact CA-O 3.46Å; C106-Q109 PolarHBondContact N-O 3.14Å; C106-Q109 PolarHBondContact O-N 3.05Å; E107-Q109 VanDerWaalsContact C-N 3.31Å; E107-Q109 PolarHBondContact O-N 3.5Å; Q109-Y111 HydrophobicContact CB-CE2 3.82Å; Q109-Y111 HydrophobicContact CG-CE2 3.85Å; Q109-Y111 WeakPolarHBondContact O-CD2 3.42Å; Q109-Y111 WeakPolarHBondContact O-CE2 3.47Å; Q109-Y111 PolarHBondContact OE1-OH 3.14Å; Q109-L236 PolarHBondContact NE2-O 3.43Å; Q109-Y237 VanDerWaalsContact NE2-C 3.29Å
110	L	92.6	Very high	92.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	142.5	178.8	-60	177.5	0	0	0	111.8	F98 R99 E105 W132 Q235	F98-L110 HydrophobicContact CE1-CB 4.08Å; F98-L110 WeakPolarHBondContact CE1-O 3.33Å; F98-L110 WeakPolarHBondContact CZ-O 3.36Å; R99-L110 HydrophobicContact CG-CD1 4.14Å; E105-L110 HydrophobicContact CB-CD2 4.12Å; E105-L110 HydrophobicContact CG-CD2 4.32Å; L110-W132 HydrophobicContact CD1-CH2 3.87Å; L110-W132 HydrophobicContact CD1-CZ2 3.6Å; L110-W132 HydrophobicContact CD2-CD2 3.63Å; L110-W132 HydrophobicContact CD2-CE3 3.77Å; L110-W132 HydrophobicContact CD2-CG 4.2Å; L110-W132 HydrophobicContact CD2-CH2 4.02Å; L110-W132 HydrophobicContact CD2-CZ2 3.88Å; L110-W132 HydrophobicContact CD2-CZ3 3.96Å; L110-W132 HydrophobicContact CG-CZ2 4.42Å; L110-Q235 WeakPolarHBondContact CB-O 3.47Å; L110-Q235 HydrophobicContact CD1-CB 4.07Å; L110-Q235 HydrophobicContact CD1-CG 4.14Å; L110-Q235 HydrophobicContact CG-CB 4.16Å; L110-Q235 HydrophobicContact CG-CG 4.21Å; L110-Q235 PolarHBondContact N-O 3.32Å
111	Y	94.5	Very high	92.3	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.008	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	146.7	-179.2	-65.7	-93.5	0	0	0	111.6	S103 V104 C106 Q109 A166 I167 T284 T286	S103-Y111 PolarHBondContact N-O 3.16Å; V104-Y111 PolarHBondContact N-O 3.44Å; V104-Y111 PolarHBondContact O-N 3.05Å; C106-Y111 HydrophobicContact CB-CD2 4.3Å; C106-Y111 HydrophobicContact CB-CE2 3.95Å; Q109-Y111 HydrophobicContact CB-CE2 3.82Å; Q109-Y111 HydrophobicContact CG-CE2 3.85Å; Q109-Y111 WeakPolarHBondContact O-CD2 3.42Å; Q109-Y111 WeakPolarHBondContact O-CE2 3.47Å; Q109-Y111 PolarHBondContact OE1-OH 3.14Å; Y111-A166 HydrophobicContact CD1-CB 3.81Å; Y111-A166 HydrophobicContact CG-CB 4.08Å; Y111-I167 WeakPolarHBondContact CA-O 3.27Å; Y111-T284 WeakPolarHBondContact OH-CB 3.5Å; Y111-T284 WeakPolarHBondContact OH-CG2 3.38Å; Y111-T286 HydrophobicContact CE1-CG2 4.16Å
112	M	95.3	Very high	92	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-91.3	143.1	166	-80.8	-169.8	179.9	0	0	111.2	F98 F101 N116 A166 I167 Y172	F98-M112 HydrophobicContact CB-CE 4.29Å; F98-M112 HydrophobicContact CD2-CE 3.6Å; F98-M112 HydrophobicContact CD2-CG 4.02Å; F98-M112 HydrophobicContact CD2-SD 3.98Å; F98-M112 HydrophobicContact CE2-CB 4.29Å; F98-M112 HydrophobicContact CE2-CE 4.24Å; F98-M112 HydrophobicContact CE2-CG 3.72Å; F98-M112 HydrophobicContact CE2-SD 4.17Å; F98-M112 HydrophobicContact CG-CE 4.15Å; F98-M112 HydrophobicContact CZ-CG 4.46Å; F98-M112 VanDerWaalsContact O-CE 3.32Å; F98-M112 WeakPolarHBondContact O-CE 3.14Å; F101-M112 HydrophobicContact CB-CE 3.57Å; M112-N116 HydrophobicContact CB-CB 4Å; M112-N116 HydrophobicContact CG-CB 3.94Å; M112-N116 HydrophobicContact SD-CB 4.38Å; M112-A166 CarbonylContact O-C 3.49Å; M112-A166 WeakPolarHBondContact O-CA 3.4Å; M112-I167 HydrophobicContact CB-CB 4.12Å; M112-I167 PolarHBondContact N-O 2.99Å; M112-I167 WeakPolarHBondContact O-CB 3.16Å; M112-I167 PolarHBondContact O-N 3.08Å; M112-Y172 HydrophobicContact CE-CD2 4.34Å; M112-Y172 HydrophobicContact CE-CE2 4.27Å; M112-Y172 HydrophobicContact SD-CD2 3.85Å; M112-Y172 HydrophobicContact SD-CE2 4.21Å; M112-Y172 HydrophobicContact SD-CG 4.44Å
113	T	95.8	Very high	91.6	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.012	10%	0.103	C	C	.	.			trans	-78.7	159.7	158.9	66.3	0	0	0	0	110.5	V104 L115 N116 F117 E163 G165	V104-T113 HydrophobicContact CG2-CG2 3.95Å; T113-L115 PolarHBondContact O-N 2.85Å; T113-N116 WeakPolarHBondContact CB-OD1 3.44Å; T113-N116 PolarHBondContact N-OD1 3.44Å; T113-N116 WeakPolarHBondContact O-CA 3.23Å; T113-N116 WeakPolarHBondContact O-CB 3.32Å; T113-N116 PolarHBondContact O-N 3.43Å; T113-N116 PolarHBondContact OG1-N 3.39Å; T113-N116 PolarHBondContact OG1-OD1 3.46Å; T113-F117 PolarHBondContact O-N 2.93Å; T113-E163 HydrophobicContact CG2-CB 4.42Å; T113-E163 WeakPolarHBondContact CG2-O 3.33Å; T113-G165 WeakPolarHBondContact CA-O 3.29Å
114	P	96.4	Very high	91	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-52.1	-34.1	170.8	-30.2	36.8	0	0	0	113.9	F117 I118 F158 L161 R162 I167	P114-F117 PolarHBondContact O-N 3.47Å; P114-I118 WeakPolarHBondContact O-CG1 3.48Å; P114-I118 PolarHBondContact O-N 2.91Å; P114-I118 VanDerWaalsContact O-N 3.12Å; P114-F158 HydrophobicContact CB-CB 3.96Å; P114-F158 HydrophobicContact CB-CD2 3.87Å; P114-F158 HydrophobicContact CB-CG 3.93Å; P114-L161 HydrophobicContact CB-CB 4.15Å; P114-L161 HydrophobicContact CG-CB 3.88Å; P114-L161 HydrophobicContact CG-CD1 4.21Å; P114-R162 WeakPolarHBondContact CD-O 3.26Å; P114-I167 HydrophobicContact CG-CD1 4.32Å
115	L	94.5	Very high	90.4	Very high	51 Å²	51	29.4 Å²	29.4	27%	0.267	15%	0.152	S	C	.	.	H	α-helix	trans	-65.3	-43	171	179.9	60.2	0	0	0	112.4	T113 F117 I118 E119 R162 E163	T113-L115 PolarHBondContact O-N 2.85Å; L115-F117 VanDerWaalsContact C-N 3.28Å; L115-F117 PolarHBondContact O-N 3.29Å; L115-I118 PolarHBondContact O-N 3.41Å; L115-E119 HydrophobicContact CD1-CG 4.36Å; L115-E119 WeakPolarHBondContact O-CG 3.36Å; L115-E119 PolarHBondContact O-N 3.49Å; L115-R162 WeakPolarHBondContact CB-O 3.41Å; L115-R162 PolarHBondContact N-O 2.75Å; L115-E163 HydrophobicContact CD2-CG 4.08Å
116	N	94.6	Very high	90	Very high	14 Å²	14	27.7 Å²	27.7	8%	0.075	15%	0.145	C	C	.	.	H	α-helix	trans	-63.9	-34.6	176.3	-59.3	129.9	0	0	0	112.3	F101 S103 M112 T113 E119 S120	F101-N116 VanDerWaalsContact O-CB 3.22Å; F101-N116 WeakPolarHBondContact O-CB 3.35Å; F101-N116 PolarHBondContact O-ND2 2.91Å; S103-N116 PolarHBondContact OG-OD1 2.93Å; M112-N116 HydrophobicContact CB-CB 4Å; M112-N116 HydrophobicContact CG-CB 3.94Å; M112-N116 HydrophobicContact SD-CB 4.38Å; T113-N116 WeakPolarHBondContact CB-OD1 3.44Å; T113-N116 PolarHBondContact N-OD1 3.44Å; T113-N116 WeakPolarHBondContact O-CA 3.23Å; T113-N116 WeakPolarHBondContact O-CB 3.32Å; T113-N116 PolarHBondContact O-N 3.43Å; T113-N116 PolarHBondContact OG1-N 3.39Å; T113-N116 PolarHBondContact OG1-OD1 3.46Å; N116-E119 PolarHBondContact O-N 2.69Å; N116-S120 VanDerWaalsContact O-CB 3.23Å; N116-S120 WeakPolarHBondContact O-CB 3.21Å; N116-S120 PolarHBondContact O-N 3.42Å; N116-S120 PolarHBondContact O-OG 3.38Å
117	F	95.4	Very high	89.4	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.3	-48.8	172.1	176.2	-94.6	0	0	0	111.5	T113 P114 L115 E119 S120 V121 F158 I167 Y172 L175 L179 L313 V317	T113-F117 PolarHBondContact O-N 2.93Å; P114-F117 PolarHBondContact O-N 3.47Å; L115-F117 VanDerWaalsContact C-N 3.28Å; L115-F117 PolarHBondContact O-N 3.29Å; F117-E119 VanDerWaalsContact C-N 3.33Å; F117-E119 PolarHBondContact O-N 3.02Å; F117-S120 PolarHBondContact O-N 3.21Å; F117-S120 PolarHBondContact O-OG 3.03Å; F117-S120 VanDerWaalsContact O-OG 3.08Å; F117-V121 HydrophobicContact CD2-CG1 4.48Å; F117-V121 HydrophobicContact CE1-CG1 4.27Å; F117-V121 HydrophobicContact CE1-CG2 4.35Å; F117-V121 HydrophobicContact CE2-CG1 3.95Å; F117-V121 HydrophobicContact CZ-CG1 3.84Å; F117-V121 PolarHBondContact O-N 2.78Å; F117-F158 HydrophobicContact CB-CD2 4.26Å; F117-F158 HydrophobicContact CB-CE2 4.13Å; F117-F158 AromaticContact CD1-CD2 3.59Å; F117-F158 HydrophobicContact CD1-CD2 3.59Å; F117-F158 AromaticContact CD1-CE2 3.48Å; F117-F158 HydrophobicContact CD1-CE2 3.48Å; F117-F158 VanDerWaalsContact CD1-CE2 3.48Å; F117-F158 HydrophobicContact CE1-CD2 4.37Å; F117-F158 HydrophobicContact CE1-CE2 4.09Å; F117-F158 HydrophobicContact CG-CD2 4.18Å; F117-F158 AromaticContact CG-CE2 3.84Å; F117-F158 HydrophobicContact CG-CE2 3.84Å; F117-I167 HydrophobicContact CB-CD1 3.96Å; F117-Y172 AromaticContact CD2-CD2 3.98Å; F117-Y172 HydrophobicContact CD2-CD2 3.98Å; F117-Y172 HydrophobicContact CE2-CD2 4.24Å; F117-L175 HydrophobicContact CD2-CB 4.2Å; F117-L175 HydrophobicContact CD2-CD1 3.86Å; F117-L175 HydrophobicContact CE2-CB 3.37Å; F117-L175 HydrophobicContact CE2-CD1 3.89Å; F117-L175 HydrophobicContact CE2-CG 4.27Å; F117-L175 HydrophobicContact CG-CD1 4.3Å; F117-L175 HydrophobicContact CZ-CB 3.57Å; F117-L175 HydrophobicContact CZ-CD1 4.34Å; F117-L175 HydrophobicContact CZ-CG 4.49Å; F117-L179 HydrophobicContact CZ-CD1 3.98Å; F117-L179 HydrophobicContact CZ-CG 4.44Å; F117-L313 HydrophobicContact CE1-CD1 4.09Å; F117-V317 HydrophobicContact CE1-CG2 4.38Å
118	I	93.1	Very high	88.7	Confident	16 Å²	16	34.5 Å²	34.5	8%	0.082	18%	0.176	C	C	.	.	H	α-helix	trans	-57.2	-47.4	176.2	-73.1	166.4	0	0	0	110.7	P114 L115 S120 V121 T122 F158 R159 I320	P114-I118 WeakPolarHBondContact O-CG1 3.48Å; P114-I118 PolarHBondContact O-N 2.91Å; P114-I118 VanDerWaalsContact O-N 3.12Å; L115-I118 PolarHBondContact O-N 3.41Å; I118-S120 PolarHBondContact O-N 2.68Å; I118-V121 WeakPolarHBondContact O-CG2 3.27Å; I118-V121 PolarHBondContact O-N 2.82Å; I118-T122 WeakPolarHBondContact O-CB 3.46Å; I118-T122 WeakPolarHBondContact O-CG2 3.49Å; I118-T122 PolarHBondContact O-N 2.94Å; I118-T122 PolarHBondContact O-OG1 2.89Å; I118-F158 HydrophobicContact CD1-CB 3.71Å; I118-F158 HydrophobicContact CG1-CB 4.24Å; I118-R159 HydrophobicContact CD1-CG 4.05Å; I118-I320 HydrophobicContact CB-CD1 4.48Å; I118-I320 HydrophobicContact CD1-CD1 3.75Å; I118-I320 HydrophobicContact CG1-CD1 3.87Å; I118-I320 HydrophobicContact CG2-CD1 3.79Å; I118-I320 HydrophobicContact CG2-CG2 4.12Å
119	E	91.6	Very high	87.8	Confident	26 Å²	26	42.5 Å²	42.5	12%	0.121	20%	0.2	C	C	.	.	H	α-helix	trans	-64.4	-39.5	178.2	-69.3	-170.1	147.5	0	0	111.9	F101 L115 N116 F117 V121 T122 L123 R127	F101-E119 HydrophobicContact CD1-CB 3.91Å; F101-E119 VanDerWaalsContact CE1-C 3.47Å; F101-E119 HydrophobicContact CE1-CB 3.88Å; F101-E119 WeakPolarHBondContact CE1-O 3.25Å; L115-E119 HydrophobicContact CD1-CG 4.36Å; L115-E119 WeakPolarHBondContact O-CG 3.36Å; L115-E119 PolarHBondContact O-N 3.49Å; N116-E119 PolarHBondContact O-N 2.69Å; F117-E119 VanDerWaalsContact C-N 3.33Å; F117-E119 PolarHBondContact O-N 3.02Å; E119-V121 VanDerWaalsContact C-N 3.27Å; E119-V121 PolarHBondContact O-N 2.86Å; E119-T122 PolarHBondContact O-N 2.84Å; E119-L123 HydrophobicContact CB-CD1 4.04Å; E119-L123 HydrophobicContact CG-CD1 3.9Å; E119-L123 WeakPolarHBondContact O-CB 3.45Å; E119-L123 PolarHBondContact O-N 2.83Å; E119-R127 VanDerWaalsContact OE1-CD 3.26Å; E119-R127 WeakPolarHBondContact OE1-CD 3.05Å; E119-R127 WeakPolarHBondContact OE1-CG 3.34Å; E119-R127 IonicContact OE1-NE 2.69Å
120	S	91	Very high	86.7	Confident	2 Å²	2	49 Å²	49	1%	0.014	22%	0.224	C	C	.	.	H	α-helix	trans	-73.8	-12	179.9	76.6	0	0	0	0	114.3	R97 N116 F117 I118	R97-S120 PolarHBondContact NE-O 3.24Å; R97-S120 PolarHBondContact NH2-O 2.77Å; N116-S120 VanDerWaalsContact O-CB 3.23Å; N116-S120 WeakPolarHBondContact O-CB 3.21Å; N116-S120 PolarHBondContact O-N 3.42Å; N116-S120 PolarHBondContact O-OG 3.38Å; F117-S120 PolarHBondContact O-N 3.21Å; F117-S120 PolarHBondContact O-OG 3.03Å; F117-S120 VanDerWaalsContact O-OG 3.08Å; I118-S120 PolarHBondContact O-N 2.68Å
121	V	88.1	Confident	85.6	Confident	7 Å²	7	52 Å²	52	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-102	-25.6	169.8	-55.3	0	0	0	0	113.5	F117 I118 E119 L176 L179 V317 Y344	F117-V121 HydrophobicContact CD2-CG1 4.48Å; F117-V121 HydrophobicContact CE1-CG1 4.27Å; F117-V121 HydrophobicContact CE1-CG2 4.35Å; F117-V121 HydrophobicContact CE2-CG1 3.95Å; F117-V121 HydrophobicContact CZ-CG1 3.84Å; F117-V121 PolarHBondContact O-N 2.78Å; I118-V121 WeakPolarHBondContact O-CG2 3.27Å; I118-V121 PolarHBondContact O-N 2.82Å; E119-V121 VanDerWaalsContact C-N 3.27Å; E119-V121 PolarHBondContact O-N 2.86Å; V121-L176 HydrophobicContact CG1-CD2 3.72Å; V121-L179 HydrophobicContact CB-CD1 4.06Å; V121-L179 HydrophobicContact CG1-CD1 3.78Å; V121-L179 HydrophobicContact CG2-CD1 4.26Å; V121-V317 HydrophobicContact CG2-CG1 3.94Å; V121-V317 HydrophobicContact CG2-CG2 4.01Å; V121-Y344 PolarHBondContact O-OH 3.05Å
122	T	85.8	Confident	85	Confident	13 Å²	13	57 Å²	57	8%	0.08	27%	0.274	C	S	.	.	H	α-helix	trans	-102.7	-22.9	-175.4	59.6	0	0	0	0	115.7	I118 E119 I320 E321 R343	I118-T122 WeakPolarHBondContact O-CB 3.46Å; I118-T122 WeakPolarHBondContact O-CG2 3.49Å; I118-T122 PolarHBondContact O-N 2.94Å; I118-T122 PolarHBondContact O-OG1 2.89Å; E119-T122 PolarHBondContact O-N 2.84Å; T122-I320 HydrophobicContact CG2-CG2 4Å; T122-E321 HydrophobicContact CG2-CG 4.15Å; T122-R343 PolarHBondContact O-NH1 3.31Å
123	L	84.6	Confident	84.7	Confident	38 Å²	38	60.8 Å²	60.8	20%	0.199	29%	0.291	C	S	.	.			trans	-118.8	152.1	-174.6	-52.5	179.3	0	0	0	112.1	R97 E119 E125 R127	R97-L123 PolarHBondContact NH2-O 3.18Å; E119-L123 HydrophobicContact CB-CD1 4.04Å; E119-L123 HydrophobicContact CG-CD1 3.9Å; E119-L123 WeakPolarHBondContact O-CB 3.45Å; E119-L123 PolarHBondContact O-N 2.83Å; L123-E125 WeakPolarHBondContact CB-O 3.29Å; L123-R127 HydrophobicContact CD1-CG 3.65Å
124	N	79.9	Confident	84.3	Confident	124 Å²	124	64.8 Å²	64.8	66%	0.663	32%	0.319	S	S	*	.	S	Bend	trans	-72.8	-43.5	175.4	-66.5	-8.7	0	0	0	111.5	R97	R97-N124 PolarHBondContact NH1-O 3.37Å
125	E	79.8	Confident	84	Confident	109 Å²	109	67.2 Å²	67.2	51%	0.509	33%	0.329	S	S	.	.	S	Bend	trans	-127	155.1	177.8	-78.2	-163.1	-136.7	0	0	111.8	L123 R129	L123-E125 WeakPolarHBondContact CB-O 3.29Å; E125-R129 IonicContact OE1-NH2 3.85Å; E125-R129 IonicContact OE2-CZ 3.28Å; E125-R129 IonicContact OE2-NE 2.68Å; E125-R129 IonicContact OE2-NH2 3.8Å; E125-R129 PolarHBondContact OE2-NH2 2.97Å
126	P	83.2	Confident	83.7	Confident	18 Å²	18	68.5 Å²	68.5	12%	0.117	34%	0.339	C	S	.	.			trans	-66.8	141.6	175.9	27.9	-35.4	0	0	0	111.8	L100 F101 S128 R129	L100-P126 HydrophobicContact CD1-CG 4.4Å; L100-P126 HydrophobicContact CG-CG 4.48Å; F101-P126 HydrophobicContact CD1-CB 3.95Å; F101-P126 HydrophobicContact CE1-CB 3.99Å; P126-S128 PolarHBondContact O-N 2.71Å; P126-S128 VanDerWaalsContact O-N 3.11Å; P126-R129 HydrophobicContact CG-CG 4.43Å
127	R	78.6	Confident	83.4	Confident	201 Å²	201	71.4 Å²	71.4	76%	0.758	35%	0.351	S	S	*	.	S	Bend	trans	-61.7	-22.6	-178.6	-66	-175.9	-179.5	-117.9	-1.5	114.1	E119 L123	E119-R127 VanDerWaalsContact OE1-CD 3.26Å; E119-R127 WeakPolarHBondContact OE1-CD 3.05Å; E119-R127 WeakPolarHBondContact OE1-CG 3.34Å; E119-R127 IonicContact OE1-NE 2.69Å; L123-R127 HydrophobicContact CD1-CG 3.65Å
128	S	73.4	Confident	83.1	Confident	70 Å²	70	79.7 Å²	79.7	49%	0.49	39%	0.387	S	S	.	.	S	Bend	trans	-150.6	121.5	176.7	-170.9	0	0	0	0	109.7	P126 R130	P126-S128 PolarHBondContact O-N 2.71Å; P126-S128 VanDerWaalsContact O-N 3.11Å; S128-R130 PolarHBondContact O-N 3.18Å
129	R	65.5	Low	83	Confident	189 Å²	189	83.4 Å²	83.4	71%	0.713	40%	0.404	S	S	*	.			trans	-75.3	71.5	171.5	-62.6	-173.7	-175	-167	3.8	109.5	E125 P126	E125-R129 IonicContact OE1-NH2 3.85Å; E125-R129 IonicContact OE2-CZ 3.28Å; E125-R129 IonicContact OE2-NE 2.68Å; E125-R129 IonicContact OE2-NH2 3.8Å; E125-R129 PolarHBondContact OE2-NH2 2.97Å; P126-R129 HydrophobicContact CG-CG 4.43Å
130	R	66.4	Low	82.9	Confident	146 Å²	146	82.2 Å²	82.2	55%	0.551	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-77.2	140.8	170.3	-68.2	-171.9	-83	-170.2	10.6	108.9	S128 E163	S128-R130 PolarHBondContact O-N 3.18Å; R130-E163 IonicContact CZ-OE1 3.26Å; R130-E163 IonicContact NH1-OE1 2.75Å; R130-E163 IonicContact NH2-OE1 2.81Å; R130-E163 PolarHBondContact NH2-OE1 2.66Å
131	G	71.3	Confident	82.8	Confident	64 Å²	64	85.7 Å²	85.7	66%	0.66	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-63.2	158	170.1	0	0	0	0	0	111.2
132	W	81.7	Confident	83	Confident	108 Å²	108	93.1 Å²	93.1	41%	0.409	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-60.3	137.4	177.6	-58.6	-37.2	0	0	0	111.2	S102 E105 L110	S102-W132 PolarHBondContact O-NE1 3.06Å; S102-W132 PolarHBondContact OG-NE1 3.49Å; E105-W132 HydrophobicContact CB-CB 4.3Å; L110-W132 HydrophobicContact CD1-CH2 3.87Å; L110-W132 HydrophobicContact CD1-CZ2 3.6Å; L110-W132 HydrophobicContact CD2-CD2 3.63Å; L110-W132 HydrophobicContact CD2-CE3 3.77Å; L110-W132 HydrophobicContact CD2-CG 4.2Å; L110-W132 HydrophobicContact CD2-CH2 4.02Å; L110-W132 HydrophobicContact CD2-CZ2 3.88Å; L110-W132 HydrophobicContact CD2-CZ3 3.96Å; L110-W132 HydrophobicContact CG-CZ2 4.42Å
133	K	87.8	Confident	83.3	Confident	79 Å²	79	94 Å²	94	34%	0.343	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	105.2	168.3	-59.7	176.8	-169.9	169.6	0	107.5	S103 V104 E105 F135 E163	S103-K133 PolarHBondContact O-N 3.49Å; V104-K133 WeakPolarHBondContact CA-O 3.09Å; E105-K133 PolarHBondContact N-O 2.81Å; K133-F135 HydrophobicContact CB-CD1 4.27Å; K133-F135 HydrophobicContact CB-CE1 3.83Å; K133-F135 HydrophobicContact CD-CE1 4.32Å; K133-F135 PolarHBondContact O-N 3.16Å; K133-E163 IonicContact NZ-OE2 2.9Å; K133-E163 PolarHBondContact NZ-OE2 3.01Å
134	S	88.9	Confident	83.7	Confident	85 Å²	85	92.5 Å²	92.5	59%	0.594	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	121.5	172.3	-43	0	0	0	0	109.4	E105	E105-S134 CarbonylContact O-C 3.59Å; E105-S134 WeakPolarHBondContact O-CA 3.23Å; E105-S134 PolarHBondContact OE2-OG 3.4Å
135	F	88.4	Confident	84.2	Confident	51 Å²	51	89 Å²	89	22%	0.224	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	146.9	178.2	-74.8	-3.2	0	0	0	110.6	V104 E105 K133 E139 L140 V143	V104-F135 HydrophobicContact CG1-CB 4.49Å; V104-F135 HydrophobicContact CG1-CD2 3.54Å; V104-F135 HydrophobicContact CG1-CE2 3.85Å; V104-F135 HydrophobicContact CG1-CG 4.01Å; V104-F135 HydrophobicContact CG2-CE2 4.07Å; V104-F135 HydrophobicContact CG2-CZ 4.3Å; E105-F135 PolarHBondContact O-N 2.93Å; K133-F135 HydrophobicContact CB-CD1 4.27Å; K133-F135 HydrophobicContact CB-CE1 3.83Å; K133-F135 HydrophobicContact CD-CE1 4.32Å; K133-F135 PolarHBondContact O-N 3.16Å; F135-E139 HydrophobicContact CB-CB 4.43Å; F135-L140 HydrophobicContact CD2-CD1 4.48Å; F135-V143 HydrophobicContact CE2-CG2 3.96Å; F135-V143 HydrophobicContact CZ-CG2 4.49Å
136	T	89.8	Confident	84.7	Confident	78 Å²	78	87.9 Å²	87.9	48%	0.479	43%	0.429	S	S	.	.			trans	-80.5	154.6	161.3	64.2	0	0	0	0	110.6	K138 E139 L140	T136-K138 PolarHBondContact O-N 3.38Å; T136-K138 VanDerWaalsContact O-N 3.1Å; T136-E139 WeakPolarHBondContact CB-OE2 3.37Å; T136-E139 WeakPolarHBondContact CG2-OE2 3.43Å; T136-E139 PolarHBondContact N-OE2 3.3Å; T136-E139 WeakPolarHBondContact O-CB 3.19Å; T136-E139 PolarHBondContact O-N 3.23Å; T136-E139 VanDerWaalsContact OG1-CD 3.3Å; T136-E139 WeakPolarHBondContact OG1-CG 3.35Å; T136-E139 PolarHBondContact OG1-OE2 2.79Å; T136-L140 PolarHBondContact O-N 2.9Å
137	K	87.3	Confident	85.2	Confident	75 Å²	75	87.5 Å²	87.5	33%	0.326	43%	0.427	S	S	.	.	H	α-helix	trans	-49.8	-39.6	177.2	-166.6	162.1	-172.4	157.7	0	113.2	E139 L140 D141 E282	K137-E139 PolarHBondContact O-N 3.24Å; K137-L140 WeakPolarHBondContact O-CB 3.03Å; K137-L140 PolarHBondContact O-N 3.47Å; K137-D141 PolarHBondContact O-N 2.9Å; K137-E282 PolarHBondContact NZ-O 2.86Å
138	K	89.1	Confident	85.9	Confident	174 Å²	174	79.3 Å²	79.3	76%	0.757	40%	0.4	S	S	*	.	H	α-helix	trans	-67	-33.5	177	-66.1	180	-179.8	175.8	0	114.1	T136 K142	T136-K138 PolarHBondContact O-N 3.38Å; T136-K138 VanDerWaalsContact O-N 3.1Å; K138-K142 WeakPolarHBondContact O-CB 3.5Å; K138-K142 PolarHBondContact O-N 2.96Å; K138-K142 VanDerWaalsContact O-N 3.16Å
139	E	90.8	Very high	86.8	Confident	95 Å²	95	78.3 Å²	78.3	44%	0.444	39%	0.391	S	S	.	.	H	α-helix	trans	-74.2	-38.5	175.5	-71	163.1	134.1	0	0	110.6	F135 T136 K137 K142 V143	F135-E139 HydrophobicContact CB-CB 4.43Å; T136-E139 WeakPolarHBondContact CB-OE2 3.37Å; T136-E139 WeakPolarHBondContact CG2-OE2 3.43Å; T136-E139 PolarHBondContact N-OE2 3.3Å; T136-E139 WeakPolarHBondContact O-CB 3.19Å; T136-E139 PolarHBondContact O-N 3.23Å; T136-E139 VanDerWaalsContact OG1-CD 3.3Å; T136-E139 WeakPolarHBondContact OG1-CG 3.35Å; T136-E139 PolarHBondContact OG1-OE2 2.79Å; K137-E139 PolarHBondContact O-N 3.24Å; E139-K142 WeakPolarHBondContact O-CB 3.27Å; E139-K142 PolarHBondContact O-N 3.22Å; E139-V143 WeakPolarHBondContact O-CG2 3.4Å; E139-V143 PolarHBondContact O-N 2.93Å
140	L	89.8	Confident	88.1	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-62.1	-48.3	172.9	-177.1	58.6	0	0	0	111.5	C106 F135 T136 K137 K142 V143 L144 A166 T284	C106-L140 HydrophobicContact CB-CD2 4.09Å; F135-L140 HydrophobicContact CD2-CD1 4.48Å; T136-L140 PolarHBondContact O-N 2.9Å; K137-L140 WeakPolarHBondContact O-CB 3.03Å; K137-L140 PolarHBondContact O-N 3.47Å; L140-K142 PolarHBondContact O-N 3.4Å; L140-V143 WeakPolarHBondContact O-CB 3.14Å; L140-V143 PolarHBondContact O-N 3.48Å; L140-L144 HydrophobicContact CD1-CD1 4.29Å; L140-L144 HydrophobicContact CD1-CG 4.33Å; L140-L144 HydrophobicContact CG-CD1 4.11Å; L140-L144 WeakPolarHBondContact O-CG 3.26Å; L140-L144 PolarHBondContact O-N 3.24Å; L140-A166 HydrophobicContact CD1-CB 3.56Å; L140-T284 HydrophobicContact CD2-CG2 3.31Å
141	D	89.8	Confident	89	Confident	76 Å²	76	72.4 Å²	72.4	41%	0.406	37%	0.372	S	S	.	.	H	α-helix	trans	-55.5	-39	173.9	-67.8	-30.1	0	0	0	112.1	K137 S145	K137-D141 PolarHBondContact O-N 2.9Å; D141-S145 PolarHBondContact O-N 2.98Å
142	K	91.4	Very high	89.9	Confident	162 Å²	162	75.1 Å²	75.1	70%	0.704	37%	0.366	S	S	*	.	H	α-helix	trans	-67	-41.6	175.7	-176.2	-176.6	176.9	-174.6	0	111.7	K138 E139 L140 S145	K138-K142 WeakPolarHBondContact O-CB 3.5Å; K138-K142 PolarHBondContact O-N 2.96Å; K138-K142 VanDerWaalsContact O-N 3.16Å; E139-K142 WeakPolarHBondContact O-CB 3.27Å; E139-K142 PolarHBondContact O-N 3.22Å; L140-K142 PolarHBondContact O-N 3.4Å; K142-S145 VanDerWaalsContact O-CB 3.3Å; K142-S145 WeakPolarHBondContact O-CB 3.5Å; K142-S145 PolarHBondContact O-N 2.88Å; K142-S145 PolarHBondContact O-OG 3.39Å
143	V	91.8	Very high	90.1	Very high	33 Å²	33	71.3 Å²	71.3	20%	0.2	36%	0.36	C	S	.	.	H	α-helix	trans	-63.7	-42.5	175.8	169	0	0	0	0	111.2	F135 E139 L140 S145 R164	F135-V143 HydrophobicContact CE2-CG2 3.96Å; F135-V143 HydrophobicContact CZ-CG2 4.49Å; E139-V143 WeakPolarHBondContact O-CG2 3.4Å; E139-V143 PolarHBondContact O-N 2.93Å; L140-V143 WeakPolarHBondContact O-CB 3.14Å; L140-V143 PolarHBondContact O-N 3.48Å; V143-S145 PolarHBondContact O-N 3.14Å; V143-R164 HydrophobicContact CG1-CB 4.43Å
144	L	92.9	Very high	90.3	Very high	5 Å²	5	69.5 Å²	69.5	3%	0.026	36%	0.357	C	S	.	.	H	α-helix	trans	-72.3	-11.8	175.8	-62.2	173.9	0	0	0	113.3	L140 D146 T147 E285 V290	L140-L144 HydrophobicContact CD1-CD1 4.29Å; L140-L144 HydrophobicContact CD1-CG 4.33Å; L140-L144 HydrophobicContact CG-CD1 4.11Å; L140-L144 WeakPolarHBondContact O-CG 3.26Å; L140-L144 PolarHBondContact O-N 3.24Å; L144-D146 PolarHBondContact O-N 2.78Å; L144-T147 VanDerWaalsContact O-CB 3.29Å; L144-T147 WeakPolarHBondContact O-CB 3.46Å; L144-T147 PolarHBondContact O-N 3.31Å; L144-T147 VanDerWaalsContact O-N 3.14Å; L144-T147 PolarHBondContact O-OG1 2.92Å; L144-E285 HydrophobicContact CD1-CB 3.89Å; L144-E285 VanDerWaalsContact CD1-O 3.25Å; L144-E285 WeakPolarHBondContact CD1-O 3.44Å; L144-V290 HydrophobicContact CB-CG2 4.49Å
145	S	91.1	Very high	90.5	Very high	50 Å²	50	66.4 Å²	66.4	35%	0.35	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-22.7	179.8	80.9	0	0	0	0	113.4	D141 K142 V143 K295	D141-S145 PolarHBondContact O-N 2.98Å; K142-S145 VanDerWaalsContact O-CB 3.3Å; K142-S145 WeakPolarHBondContact O-CB 3.5Å; K142-S145 PolarHBondContact O-N 2.88Å; K142-S145 PolarHBondContact O-OG 3.39Å; V143-S145 PolarHBondContact O-N 3.14Å; S145-K295 WeakPolarHBondContact O-CE 3.33Å; S145-K295 PolarHBondContact O-NZ 3.25Å
146	D	89.4	Confident	90.8	Very high	86 Å²	86	66.7 Å²	66.7	46%	0.46	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-9.1	174.9	-83.7	-0.1	0	0	0	113.3	L144 P148 R164	L144-D146 PolarHBondContact O-N 2.78Å; D146-P148 WeakPolarHBondContact O-CD 3.17Å; D146-R164 WeakPolarHBondContact OD2-CD 3.24Å; D146-R164 IonicContact OD2-CZ 3.57Å; D146-R164 IonicContact OD2-NE 3.77Å; D146-R164 IonicContact OD2-NH1 2.74Å; D146-R164 PolarHBondContact OD2-NH1 2.68Å
147	T	93.6	Very high	91	Very high	11 Å²	11	63.5 Å²	63.5	7%	0.067	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-61.9	121.8	-176	-58.3	0	0	0	0	111.1	L144 T287 V290 H291	L144-T147 VanDerWaalsContact O-CB 3.29Å; L144-T147 WeakPolarHBondContact O-CB 3.46Å; L144-T147 PolarHBondContact O-N 3.31Å; L144-T147 VanDerWaalsContact O-N 3.14Å; L144-T147 PolarHBondContact O-OG1 2.92Å; T147-T287 HydrophobicContact CG2-CG2 4.01Å; T147-V290 HydrophobicContact CG2-CB 4.2Å; T147-V290 HydrophobicContact CG2-CG1 4Å; T147-H291 HydrophobicContact CG2-CB 3.99Å
148	P	94.1	Very high	91.4	Very high	29 Å²	29	60 Å²	60	19%	0.188	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-71.1	150.5	177	30.7	-35.4	0	0	0	110.5	D146 K152 L157 H291	D146-P148 WeakPolarHBondContact O-CD 3.17Å; P148-K152 HydrophobicContact CB-CB 4.01Å; P148-K152 HydrophobicContact CB-CD 4.41Å; P148-L157 HydrophobicContact CG-CD1 3.42Å; P148-L157 VanDerWaalsContact CG-CD1 3.42Å; P148-H291 PolarHBondContact O-ND1 2.89Å
149	P	92.4	Very high	91.7	Very high	49 Å²	49	54.2 Å²	54.2	32%	0.318	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-70.9	159.9	172.7	32	-37	0	0	0	111.7	W151 K152	P149-W151 VanDerWaalsContact C-N 3.27Å; P149-W151 HydrophobicContact CG-CD2 4.13Å; P149-W151 VanDerWaalsContact CG-CE2 3.45Å; P149-W151 HydrophobicContact CG-CG 4.4Å; P149-W151 HydrophobicContact CG-CZ2 3.8Å; P149-W151 VanDerWaalsContact CG-NE1 3.3Å; P149-W151 PolarHBondContact O-N 3.11Å; P149-W151 VanDerWaalsContact O-N 3.11Å; P149-K152 HydrophobicContact CG-CD 4.43Å; P149-K152 HydrophobicContact CG-CG 4.22Å; P149-K152 WeakPolarHBondContact O-CB 3.39Å; P149-K152 PolarHBondContact O-N 2.68Å
150	V	91.9	Very high	91.9	Very high	26 Å²	26	54.3 Å²	54.3	16%	0.158	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-50.1	-39.1	-174.8	69.7	0	0	0	0	115	K152 G153 H291 F292 L301 D305	V150-K152 PolarHBondContact O-N 2.69Å; V150-K152 VanDerWaalsContact O-N 3.13Å; V150-G153 PolarHBondContact O-N 2.51Å; V150-H291 WeakPolarHBondContact CB-O 3.32Å; V150-H291 PolarHBondContact N-O 3.41Å; V150-F292 HydrophobicContact CB-CD1 4.49Å; V150-F292 HydrophobicContact CG2-CD1 4.01Å; V150-F292 HydrophobicContact CG2-CE1 4.44Å; V150-L301 HydrophobicContact CG2-CD1 3.85Å; V150-D305 HydrophobicContact CG1-CB 4.44Å; V150-D305 HydrophobicContact CG2-CB 3.89Å
151	W	86.6	Confident	92.1	Very high	185 Å²	185	54.6 Å²	54.6	70%	0.701	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-68.7	-9.6	179.1	60.3	-97.7	0	0	0	114.6	P149	P149-W151 VanDerWaalsContact C-N 3.27Å; P149-W151 HydrophobicContact CG-CD2 4.13Å; P149-W151 VanDerWaalsContact CG-CE2 3.45Å; P149-W151 HydrophobicContact CG-CG 4.4Å; P149-W151 HydrophobicContact CG-CZ2 3.8Å; P149-W151 VanDerWaalsContact CG-NE1 3.3Å; P149-W151 PolarHBondContact O-N 3.11Å; P149-W151 VanDerWaalsContact O-N 3.11Å
152	K	89.8	Confident	92.2	Very high	121 Å²	121	59.1 Å²	59.1	53%	0.526	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-97.8	10	168.1	-66.3	-166.3	-179.4	-177.6	0	113	P148 P149 V150	P148-K152 HydrophobicContact CB-CB 4.01Å; P148-K152 HydrophobicContact CB-CD 4.41Å; P149-K152 HydrophobicContact CG-CD 4.43Å; P149-K152 HydrophobicContact CG-CG 4.22Å; P149-K152 WeakPolarHBondContact O-CB 3.39Å; P149-K152 PolarHBondContact O-N 2.68Å; V150-K152 PolarHBondContact O-N 2.69Å; V150-K152 VanDerWaalsContact O-N 3.13Å
153	G	85.1	Confident	92.3	Very high	27 Å²	27	54.6 Å²	54.6	28%	0.278	28%	0.275	S	S	.	.			trans	-57.1	140.6	173.7	0	0	0	0	0	111.9	V150	V150-G153 PolarHBondContact O-N 2.51Å
154	S	93	Very high	92.3	Very high	41 Å²	41	58.7 Å²	58.7	29%	0.287	29%	0.287	S	S	.	.			trans	-155.8	165.5	178.8	59.2	0	0	0	0	109.3	N156 L157 N312	S154-N156 PolarHBondContact O-N 3.27Å; S154-N156 PolarHBondContact OG-N 3.2Å; S154-L157 WeakPolarHBondContact O-CB 3.31Å; S154-L157 PolarHBondContact O-N 2.83Å; S154-L157 VanDerWaalsContact O-N 3.14Å; S154-N312 VanDerWaalsContact C-CG 3.47Å
155	S	92.3	Very high	92.4	Very high	21 Å²	21	58.6 Å²	58.6	15%	0.147	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	4.9	172.9	68.5	0	0	0	0	114.2	R159 N312 E316 E319	S155-R159 PolarHBondContact O-NH2 3.12Å; S155-N312 PolarHBondContact N-OD1 3.13Å; S155-N312 VanDerWaalsContact N-OD1 3.14Å; S155-E316 WeakPolarHBondContact O-CA 3.35Å; S155-E316 WeakPolarHBondContact O-CB 3.28Å; S155-E316 WeakPolarHBondContact O-CG 3.41Å; S155-E319 VanDerWaalsContact CB-OE1 3.26Å; S155-E319 WeakPolarHBondContact CB-OE1 3.13Å; S155-E319 PolarHBondContact OG-OE1 3.24Å
156	N	94	Very high	92.6	Very high	56 Å²	56	56.2 Å²	56.2	30%	0.299	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	12	177.1	-75.2	-92	0	0	0	112.7	S154 F158 R159 N160 E316	S154-N156 PolarHBondContact O-N 3.27Å; S154-N156 PolarHBondContact OG-N 3.2Å; N156-F158 PolarHBondContact O-N 2.67Å; N156-R159 PolarHBondContact O-N 3.22Å; N156-R159 PolarHBondContact OD1-NE 2.66Å; N156-R159 PolarHBondContact OD1-NH2 3.45Å; N156-N160 WeakPolarHBondContact O-CB 3.4Å; N156-N160 PolarHBondContact O-N 2.88Å; N156-N160 PolarHBondContact O-ND2 2.98Å; N156-E316 VanDerWaalsContact CA-OE1 3.23Å; N156-E316 WeakPolarHBondContact CA-OE1 3.49Å
157	L	95.1	Very high	92.9	Very high	11 Å²	11	52.1 Å²	52.1	6%	0.058	25%	0.249	C	C	.	.	H	α-helix	trans	-57.2	-51.5	-173.6	177.4	62.2	0	0	0	111.9	P148 S154 N160 L161 F309 E316	P148-L157 HydrophobicContact CG-CD1 3.42Å; P148-L157 VanDerWaalsContact CG-CD1 3.42Å; S154-L157 WeakPolarHBondContact O-CB 3.31Å; S154-L157 PolarHBondContact O-N 2.83Å; S154-L157 VanDerWaalsContact O-N 3.14Å; L157-N160 PolarHBondContact O-N 2.77Å; L157-L161 HydrophobicContact CD1-CD1 4.04Å; L157-L161 HydrophobicContact CG-CD1 4.32Å; L157-L161 WeakPolarHBondContact O-CG 3.37Å; L157-L161 PolarHBondContact O-N 2.96Å; L157-L161 VanDerWaalsContact O-N 3.16Å; L157-F309 HydrophobicContact CD2-CD2 4.42Å; L157-F309 HydrophobicContact CD2-CE2 4.06Å; L157-E316 PolarHBondContact N-OE1 2.88Å; L157-E316 PolarHBondContact N-OE2 2.75Å; L157-E316 VanDerWaalsContact N-OE2 3.14Å
158	F	96.1	Very high	92.9	Very high	3 Å²	3	51.7 Å²	51.7	1%	0.013	25%	0.246	C	C	.	.	H	α-helix	trans	-75.4	-36.2	-175.4	-78.3	40.3	0	0	0	110.9	P114 F117 I118 N156 N160 L161 R162 I167 L175 L288 L313 E316	P114-F158 HydrophobicContact CB-CB 3.96Å; P114-F158 HydrophobicContact CB-CD2 3.87Å; P114-F158 HydrophobicContact CB-CG 3.93Å; F117-F158 HydrophobicContact CB-CD2 4.26Å; F117-F158 HydrophobicContact CB-CE2 4.13Å; F117-F158 AromaticContact CD1-CD2 3.59Å; F117-F158 HydrophobicContact CD1-CD2 3.59Å; F117-F158 AromaticContact CD1-CE2 3.48Å; F117-F158 HydrophobicContact CD1-CE2 3.48Å; F117-F158 VanDerWaalsContact CD1-CE2 3.48Å; F117-F158 HydrophobicContact CE1-CD2 4.37Å; F117-F158 HydrophobicContact CE1-CE2 4.09Å; F117-F158 HydrophobicContact CG-CD2 4.18Å; F117-F158 AromaticContact CG-CE2 3.84Å; F117-F158 HydrophobicContact CG-CE2 3.84Å; I118-F158 HydrophobicContact CD1-CB 3.71Å; I118-F158 HydrophobicContact CG1-CB 4.24Å; N156-F158 PolarHBondContact O-N 2.67Å; F158-N160 VanDerWaalsContact C-N 3.31Å; F158-N160 PolarHBondContact O-N 2.92Å; F158-L161 PolarHBondContact O-N 3.15Å; F158-R162 PolarHBondContact O-N 3.44Å; F158-I167 HydrophobicContact CD2-CD1 4.42Å; F158-I167 HydrophobicContact CE2-CD1 3.67Å; F158-I167 HydrophobicContact CZ-CD1 4.15Å; F158-L175 HydrophobicContact CE2-CD1 3.94Å; F158-L175 HydrophobicContact CZ-CD1 3.89Å; F158-L175 HydrophobicContact CZ-CD2 3.93Å; F158-L288 HydrophobicContact CZ-CD2 4.35Å; F158-L313 HydrophobicContact CD1-CD1 4.49Å; F158-L313 HydrophobicContact CE1-CD1 4.22Å; F158-L313 HydrophobicContact CE2-CD1 4.26Å; F158-L313 HydrophobicContact CZ-CD1 4.09Å; F158-E316 PolarHBondContact N-OE1 3.13Å; F158-E316 PolarHBondContact N-OE2 3.41Å
159	R	94.3	Very high	92.8	Very high	52 Å²	52	50.4 Å²	50.4	20%	0.196	24%	0.237	C	C	.	.	H	α-helix	trans	-64.2	-29.5	173	-76.5	-178.7	-75.3	177.2	-2.4	114	I118 S155 N156 R162 E316 E319 I320	I118-R159 HydrophobicContact CD1-CG 4.05Å; S155-R159 PolarHBondContact O-NH2 3.12Å; N156-R159 PolarHBondContact O-N 3.22Å; N156-R159 PolarHBondContact OD1-NE 2.66Å; N156-R159 PolarHBondContact OD1-NH2 3.45Å; R159-R162 WeakPolarHBondContact O-CG 3.32Å; R159-R162 PolarHBondContact O-NE 3.18Å; R159-E316 VanDerWaalsContact CB-OE1 3.31Å; R159-E316 WeakPolarHBondContact CB-OE1 3.27Å; R159-E316 VanDerWaalsContact CG-OE1 3.3Å; R159-E316 WeakPolarHBondContact CG-OE1 3.44Å; R159-E316 PolarHBondContact N-OE1 3.18Å; R159-E316 IonicContact NE-OE1 3.84Å; R159-E316 PolarHBondContact NE-OE1 2.99Å; R159-E319 IonicContact CZ-OE2 2.95Å; R159-E319 IonicContact NH1-OE2 3.4Å; R159-E319 PolarHBondContact NH1-OE2 3.47Å; R159-E319 VanDerWaalsContact NH1-OE2 3.11Å; R159-E319 VanDerWaalsContact NH2-CD 3.26Å; R159-E319 IonicContact NH2-OE1 3.2Å; R159-E319 IonicContact NH2-OE2 2.91Å; R159-E319 PolarHBondContact NH2-OE2 3.37Å; R159-I320 HydrophobicContact CG-CD1 3.92Å; R159-I320 HydrophobicContact CG-CG1 4.31Å
160	N	95.3	Very high	92.7	Very high	96 Å²	96	48.4 Å²	48.4	51%	0.513	22%	0.224	S	C	.	.	H	α-helix	trans	-80.5	-35.6	176.5	-74.2	-26.9	0	0	0	112.6	N156 L157 F158 R164	N156-N160 WeakPolarHBondContact O-CB 3.4Å; N156-N160 PolarHBondContact O-N 2.88Å; N156-N160 PolarHBondContact O-ND2 2.98Å; L157-N160 PolarHBondContact O-N 2.77Å; F158-N160 VanDerWaalsContact C-N 3.31Å; F158-N160 PolarHBondContact O-N 2.92Å; N160-R164 PolarHBondContact O-NH2 2.77Å
161	L	94	Very high	92.7	Very high	7 Å²	7	47.4 Å²	47.4	4%	0.037	22%	0.218	C	C	.	.	H	α-helix	trans	-73.8	-43.4	176.6	-69.6	172.6	0	0	0	112	P114 L157 F158 E163 R164 T287	P114-L161 HydrophobicContact CB-CB 4.15Å; P114-L161 HydrophobicContact CG-CB 3.88Å; P114-L161 HydrophobicContact CG-CD1 4.21Å; L157-L161 HydrophobicContact CD1-CD1 4.04Å; L157-L161 HydrophobicContact CG-CD1 4.32Å; L157-L161 WeakPolarHBondContact O-CG 3.37Å; L157-L161 PolarHBondContact O-N 2.96Å; L157-L161 VanDerWaalsContact O-N 3.16Å; F158-L161 PolarHBondContact O-N 3.15Å; L161-E163 PolarHBondContact O-N 2.88Å; L161-R164 VanDerWaalsContact O-CB 3.27Å; L161-R164 WeakPolarHBondContact O-CB 3.46Å; L161-R164 PolarHBondContact O-N 2.88Å; L161-T287 HydrophobicContact CD1-CG2 3.71Å
162	R	93.3	Very high	93.1	Very high	171 Å²	171	38.7 Å²	38.7	65%	0.645	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	-116.5	-178.8	-54.3	-173.5	175	-159	-0.9	112.6	P114 L115 F158 R159 R164	P114-R162 WeakPolarHBondContact CD-O 3.26Å; L115-R162 WeakPolarHBondContact CB-O 3.41Å; L115-R162 PolarHBondContact N-O 2.75Å; F158-R162 PolarHBondContact O-N 3.44Å; R159-R162 WeakPolarHBondContact O-CG 3.32Å; R159-R162 PolarHBondContact O-NE 3.18Å; R162-R164 VanDerWaalsContact C-N 3.26Å
163	E	92.4	Very high	93	Very high	66 Å²	66	33 Å²	33	31%	0.308	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-5.9	174.9	-62.2	-168	-168	0	0	112.4	T113 L115 R130 K133 L161 G165	T113-E163 HydrophobicContact CG2-CB 4.42Å; T113-E163 WeakPolarHBondContact CG2-O 3.33Å; L115-E163 HydrophobicContact CD2-CG 4.08Å; R130-E163 IonicContact CZ-OE1 3.26Å; R130-E163 IonicContact NH1-OE1 2.75Å; R130-E163 IonicContact NH2-OE1 2.81Å; R130-E163 PolarHBondContact NH2-OE1 2.66Å; K133-E163 IonicContact NZ-OE2 2.9Å; K133-E163 PolarHBondContact NZ-OE2 3.01Å; L161-E163 PolarHBondContact O-N 2.88Å; E163-G165 PolarHBondContact O-N 2.91Å
164	R	92.4	Very high	93.3	Very high	120 Å²	120	31.7 Å²	31.7	45%	0.453	15%	0.147	S	C	.	.	S	Bend	trans	-90.6	74	-178.5	-59.5	178.7	-67.9	178.3	-4.6	112.2	V143 D146 N160 L161 R162	V143-R164 HydrophobicContact CG1-CB 4.43Å; D146-R164 WeakPolarHBondContact OD2-CD 3.24Å; D146-R164 IonicContact OD2-CZ 3.57Å; D146-R164 IonicContact OD2-NE 3.77Å; D146-R164 IonicContact OD2-NH1 2.74Å; D146-R164 PolarHBondContact OD2-NH1 2.68Å; N160-R164 PolarHBondContact O-NH2 2.77Å; L161-R164 VanDerWaalsContact O-CB 3.27Å; L161-R164 WeakPolarHBondContact O-CB 3.46Å; L161-R164 PolarHBondContact O-N 2.88Å; R162-R164 VanDerWaalsContact C-N 3.26Å
165	G	93.9	Very high	93.3	Very high	2 Å²	2	29.8 Å²	29.8	2%	0.021	13%	0.133	C	C	.	.			trans	175.4	164.4	171	0	0	0	0	0	111.1	T113 E163 T287	T113-G165 WeakPolarHBondContact CA-O 3.29Å; E163-G165 PolarHBondContact O-N 2.91Å; G165-T287 VanDerWaalsContact CA-OG1 3.3Å; G165-T287 WeakPolarHBondContact CA-OG1 3.4Å
166	A	95.6	Very high	93.2	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.008	13%	0.132	C	C	.	.			trans	-126.1	139.1	169.2	0	0	0	0	0	110.3	Y111 M112 L140 T287	Y111-A166 HydrophobicContact CD1-CB 3.81Å; Y111-A166 HydrophobicContact CG-CB 4.08Å; M112-A166 CarbonylContact O-C 3.49Å; M112-A166 WeakPolarHBondContact O-CA 3.4Å; L140-A166 HydrophobicContact CD1-CB 3.56Å; A166-T287 PolarHBondContact N-OG1 3.02Å; A166-T287 WeakPolarHBondContact O-CB 3.36Å; A166-T287 PolarHBondContact O-N 2.68Å; A166-T287 PolarHBondContact O-OG1 3.42Å
167	I	96.3	Very high	92.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-130.6	120.6	179.8	-61.7	172	0	0	0	105.7	Y111 M112 P114 F117 F158 E171 L175	Y111-I167 WeakPolarHBondContact CA-O 3.27Å; M112-I167 HydrophobicContact CB-CB 4.12Å; M112-I167 PolarHBondContact N-O 2.99Å; M112-I167 WeakPolarHBondContact O-CB 3.16Å; M112-I167 PolarHBondContact O-N 3.08Å; P114-I167 HydrophobicContact CG-CD1 4.32Å; F117-I167 HydrophobicContact CB-CD1 3.96Å; F158-I167 HydrophobicContact CD2-CD1 4.42Å; F158-I167 HydrophobicContact CE2-CD1 3.67Å; F158-I167 HydrophobicContact CZ-CD1 4.15Å; I167-E171 WeakPolarHBondContact CA-OE2 3.41Å; I167-E171 HydrophobicContact CG2-CB 3.72Å; I167-L175 HydrophobicContact CD1-CD1 4.11Å; I167-L175 HydrophobicContact CG2-CD1 3.84Å
168	S	93.9	Very high	92.7	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.007	12%	0.117	C	C	.	.			trans	-72.7	171.6	178	74	0	0	0	0	111.8	T170 E171 Y172	S168-T170 VanDerWaalsContact C-N 3.29Å; S168-T170 PolarHBondContact O-N 3.48Å; S168-T170 PolarHBondContact OG-N 2.85Å; S168-T170 PolarHBondContact OG-OG1 2.94Å; S168-E171 PolarHBondContact N-OE2 3.42Å; S168-E171 PolarHBondContact O-N 3.46Å; S168-E171 WeakPolarHBondContact OG-CG 3.07Å; S168-E171 PolarHBondContact OG-N 3.05Å; S168-E171 VanDerWaalsContact OG-N 3.1Å; S168-Y172 WeakPolarHBondContact O-CB 3.42Å; S168-Y172 PolarHBondContact O-N 2.95Å
169	Y	91.4	Very high	92.4	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.008	12%	0.117	C	C	.	.	H	α-helix	trans	-60.1	-40	172.3	177.7	-121.4	0	0	0	112.5	E95 F98 Y172 L173 L236 Y237	E95-Y169 HydrophobicContact CG-CE1 4.16Å; E95-Y169 HydrophobicContact CG-CE2 4.24Å; E95-Y169 WeakPolarHBondContact CG-OH 3.31Å; F98-Y169 HydrophobicContact CB-CD2 3.73Å; F98-Y169 HydrophobicContact CB-CE2 4.07Å; F98-Y169 AromaticContact CD1-CD2 3.97Å; F98-Y169 HydrophobicContact CD1-CD2 3.97Å; F98-Y169 HydrophobicContact CD1-CG 4.43Å; F98-Y169 AromaticContact CD2-CD2 3.98Å; F98-Y169 HydrophobicContact CD2-CD2 3.98Å; F98-Y169 AromaticContact CG-CD2 3.62Å; F98-Y169 HydrophobicContact CG-CD2 3.62Å; F98-Y169 HydrophobicContact CG-CE2 4.45Å; F98-Y169 HydrophobicContact CG-CG 4.45Å; Y169-Y172 HydrophobicContact CD2-CD1 4.03Å; Y169-Y172 HydrophobicContact CE2-CD1 4.15Å; Y169-Y172 HydrophobicContact CE2-CE1 4.48Å; Y169-Y172 WeakPolarHBondContact O-CB 3.3Å; Y169-Y172 PolarHBondContact O-N 3.26Å; Y169-L173 HydrophobicContact CD1-CD1 4.41Å; Y169-L173 HydrophobicContact CD2-CG 4.48Å; Y169-L173 HydrophobicContact CE1-CD1 3.78Å; Y169-L173 HydrophobicContact CE1-CG 4.32Å; Y169-L173 HydrophobicContact CE2-CD1 4.33Å; Y169-L173 HydrophobicContact CE2-CD2 3.89Å; Y169-L173 HydrophobicContact CE2-CG 4.03Å; Y169-L173 WeakPolarHBondContact O-CG 3.45Å; Y169-L173 PolarHBondContact O-N 3.04Å; Y169-L236 HydrophobicContact CD1-CB 4.09Å; Y169-L236 HydrophobicContact CD1-CD1 4.19Å; Y169-L236 HydrophobicContact CD1-CD2 4.17Å; Y169-L236 HydrophobicContact CD1-CG 4.39Å; Y169-L236 HydrophobicContact CD2-CD2 4.09Å; Y169-L236 HydrophobicContact CE1-CD1 4.28Å; Y169-L236 HydrophobicContact CG-CB 4.33Å; Y169-L236 HydrophobicContact CG-CD2 3.81Å; Y169-L236 HydrophobicContact CG-CG 4.47Å; Y169-Y237 HydrophobicContact CD1-CE1 4.11Å; Y169-Y237 AromaticContact CD1-CZ 3.92Å; Y169-Y237 WeakPolarHBondContact CE1-OH 3.49Å
170	T	89.4	Confident	92	Very high	7 Å²	7	26.2 Å²	26.2	4%	0.043	12%	0.119	C	C	.	.	H	α-helix	trans	-68.4	-37.9	-179	47	0	0	0	0	112.1	S168 F174 E210 F213 Y237	S168-T170 VanDerWaalsContact C-N 3.29Å; S168-T170 PolarHBondContact O-N 3.48Å; S168-T170 PolarHBondContact OG-N 2.85Å; S168-T170 PolarHBondContact OG-OG1 2.94Å; T170-F174 PolarHBondContact O-N 3.23Å; T170-F174 VanDerWaalsContact O-N 3.09Å; T170-E210 HydrophobicContact CG2-CB 3.89Å; T170-E210 HydrophobicContact CG2-CG 3.86Å; T170-E210 PolarHBondContact OG1-OE2 3.34Å; T170-F213 HydrophobicContact CG2-CB 4.46Å; T170-F213 HydrophobicContact CG2-CD2 4.39Å; T170-Y237 HydrophobicContact CG2-CD1 3.91Å; T170-Y237 HydrophobicContact CG2-CE1 3.58Å
171	E	93	Very high	91.7	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.028	10%	0.099	C	C	.	.	H	α-helix	trans	-69.2	-38.8	171.5	-68.4	176.5	143.7	0	0	112.2	I167 S168 L173 F174 L175 T286 L288	I167-E171 WeakPolarHBondContact CA-OE2 3.41Å; I167-E171 HydrophobicContact CG2-CB 3.72Å; S168-E171 PolarHBondContact N-OE2 3.42Å; S168-E171 PolarHBondContact O-N 3.46Å; S168-E171 WeakPolarHBondContact OG-CG 3.07Å; S168-E171 PolarHBondContact OG-N 3.05Å; S168-E171 VanDerWaalsContact OG-N 3.1Å; E171-L173 PolarHBondContact O-N 3.07Å; E171-F174 WeakPolarHBondContact O-CB 3.49Å; E171-F174 PolarHBondContact O-N 2.91Å; E171-L175 WeakPolarHBondContact O-CB 3.47Å; E171-L175 WeakPolarHBondContact O-CG 3.5Å; E171-L175 PolarHBondContact O-N 2.91Å; E171-T286 VanDerWaalsContact CD-OG1 3.3Å; E171-T286 VanDerWaalsContact OE1-CB 3.29Å; E171-T286 WeakPolarHBondContact OE1-CB 3.05Å; E171-T286 PolarHBondContact OE1-OG1 3.24Å; E171-T286 VanDerWaalsContact OE2-CB 3.24Å; E171-T286 WeakPolarHBondContact OE2-CB 3.3Å; E171-T286 WeakPolarHBondContact OE2-CG2 3.33Å; E171-T286 PolarHBondContact OE2-OG1 3.39Å; E171-L288 HydrophobicContact CB-CD1 3.89Å; E171-L288 HydrophobicContact CG-CD1 4.01Å; E171-L288 WeakPolarHBondContact OE1-CB 3.28Å
172	Y	93.6	Very high	91.5	Very high	2 Å²	2	24 Å²	24	1%	0.008	11%	0.107	C	C	.	.	H	α-helix	trans	-58.2	-47	173.4	164.5	-108.2	0	0	0	111.8	F98 M112 F117 S168 Y169 F174 L175 L176	F98-Y172 HydrophobicContact CB-CD1 4.06Å; F98-Y172 HydrophobicContact CB-CE1 3.98Å; F98-Y172 AromaticContact CD2-CD1 3.69Å; F98-Y172 HydrophobicContact CD2-CD1 3.69Å; F98-Y172 HydrophobicContact CD2-CD2 4.43Å; F98-Y172 HydrophobicContact CD2-CE1 4.34Å; F98-Y172 AromaticContact CD2-CG 3.73Å; F98-Y172 HydrophobicContact CD2-CG 3.73Å; F98-Y172 HydrophobicContact CE2-CG 4.36Å; F98-Y172 HydrophobicContact CG-CD1 4.28Å; M112-Y172 HydrophobicContact CE-CD2 4.34Å; M112-Y172 HydrophobicContact CE-CE2 4.27Å; M112-Y172 HydrophobicContact SD-CD2 3.85Å; M112-Y172 HydrophobicContact SD-CE2 4.21Å; M112-Y172 HydrophobicContact SD-CG 4.44Å; F117-Y172 AromaticContact CD2-CD2 3.98Å; F117-Y172 HydrophobicContact CD2-CD2 3.98Å; F117-Y172 HydrophobicContact CE2-CD2 4.24Å; S168-Y172 WeakPolarHBondContact O-CB 3.42Å; S168-Y172 PolarHBondContact O-N 2.95Å; Y169-Y172 HydrophobicContact CD2-CD1 4.03Å; Y169-Y172 HydrophobicContact CE2-CD1 4.15Å; Y169-Y172 HydrophobicContact CE2-CE1 4.48Å; Y169-Y172 WeakPolarHBondContact O-CB 3.3Å; Y169-Y172 PolarHBondContact O-N 3.26Å; Y172-F174 VanDerWaalsContact C-N 3.34Å; Y172-F174 PolarHBondContact O-N 3.06Å; Y172-L175 PolarHBondContact O-N 3.22Å; Y172-L176 HydrophobicContact CD1-CD1 4.24Å; Y172-L176 HydrophobicContact CD2-CD1 4.37Å; Y172-L176 HydrophobicContact CD2-CG 4.33Å; Y172-L176 HydrophobicContact CE1-CD1 3.7Å; Y172-L176 HydrophobicContact CE2-CD1 3.84Å; Y172-L176 HydrophobicContact CE2-CD2 4.25Å; Y172-L176 HydrophobicContact CE2-CG 4Å; Y172-L176 VanDerWaalsContact CZ-CD1 3.49Å; Y172-L176 WeakPolarHBondContact O-CG 3.34Å; Y172-L176 PolarHBondContact O-N 3.33Å
173	L	89.3	Confident	91.3	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-60.9	-42	174.4	-65.1	-176.1	0	0	0	112.2	Y94 Y169 E171 L176 C177 F213 M260	Y94-L173 HydrophobicContact CG-CD2 4.04Å; Y169-L173 HydrophobicContact CD1-CD1 4.41Å; Y169-L173 HydrophobicContact CD2-CG 4.48Å; Y169-L173 HydrophobicContact CE1-CD1 3.78Å; Y169-L173 HydrophobicContact CE1-CG 4.32Å; Y169-L173 HydrophobicContact CE2-CD1 4.33Å; Y169-L173 HydrophobicContact CE2-CD2 3.89Å; Y169-L173 HydrophobicContact CE2-CG 4.03Å; Y169-L173 WeakPolarHBondContact O-CG 3.45Å; Y169-L173 PolarHBondContact O-N 3.04Å; E171-L173 PolarHBondContact O-N 3.07Å; L173-L176 PolarHBondContact O-N 3.41Å; L173-C177 WeakPolarHBondContact O-CB 3.34Å; L173-C177 PolarHBondContact O-N 3.09Å; L173-C177 PolarHBondContact O-SG 3.17Å; L173-F213 HydrophobicContact CB-CE2 4.21Å; L173-F213 HydrophobicContact CB-CZ 4.27Å; L173-F213 HydrophobicContact CD1-CD1 3.96Å; L173-F213 HydrophobicContact CD1-CD2 4.1Å; L173-F213 HydrophobicContact CD1-CE1 3.99Å; L173-F213 HydrophobicContact CD1-CE2 4.11Å; L173-F213 HydrophobicContact CD1-CG 4.04Å; L173-F213 HydrophobicContact CD1-CZ 4.05Å; L173-M260 HydrophobicContact CB-CE 4.02Å; L173-M260 HydrophobicContact CB-SD 3.99Å; L173-M260 HydrophobicContact CD1-SD 4.03Å; L173-M260 HydrophobicContact CD2-CE 3.84Å; L173-M260 HydrophobicContact CD2-SD 4Å; L173-M260 HydrophobicContact CG-CE 4.42Å; L173-M260 HydrophobicContact CG-SD 4.23Å
174	F	90.7	Very high	91.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.2	-44.8	175.9	169.4	-107.8	0	0	0	112.5	T170 E171 Y172 C177 I178 F193 F206 L209 L288 F292 F306 F309	T170-F174 PolarHBondContact O-N 3.23Å; T170-F174 VanDerWaalsContact O-N 3.09Å; E171-F174 WeakPolarHBondContact O-CB 3.49Å; E171-F174 PolarHBondContact O-N 2.91Å; Y172-F174 VanDerWaalsContact C-N 3.34Å; Y172-F174 PolarHBondContact O-N 3.06Å; F174-C177 VanDerWaalsContact O-CB 3.32Å; F174-C177 WeakPolarHBondContact O-CB 3.5Å; F174-C177 PolarHBondContact O-N 3.3Å; F174-I178 HydrophobicContact CD1-CD1 4.13Å; F174-I178 HydrophobicContact CE1-CD1 3.56Å; F174-I178 HydrophobicContact CE2-CD1 4.14Å; F174-I178 HydrophobicContact CE2-CG1 4.4Å; F174-I178 HydrophobicContact CZ-CD1 3.57Å; F174-I178 HydrophobicContact CZ-CG1 4.3Å; F174-I178 WeakPolarHBondContact O-CG1 3.46Å; F174-I178 PolarHBondContact O-N 3.18Å; F174-F193 AromaticContact CD2-CZ 3.91Å; F174-F193 HydrophobicContact CD2-CZ 3.91Å; F174-F193 AromaticContact CE2-CE2 3.91Å; F174-F193 HydrophobicContact CE2-CE2 3.91Å; F174-F193 AromaticContact CE2-CZ 3.56Å; F174-F193 HydrophobicContact CE2-CZ 3.56Å; F174-F193 HydrophobicContact CZ-CZ 4.46Å; F174-F206 HydrophobicContact CD1-CE2 4.08Å; F174-F206 AromaticContact CD1-CZ 3.91Å; F174-F206 HydrophobicContact CD1-CZ 3.91Å; F174-F206 AromaticContact CE1-CE2 3.73Å; F174-F206 HydrophobicContact CE1-CE2 3.73Å; F174-F206 AromaticContact CE1-CZ 3.91Å; F174-F206 HydrophobicContact CE1-CZ 3.91Å; F174-F206 HydrophobicContact CE2-CE2 4.24Å; F174-F206 HydrophobicContact CG-CE2 4.47Å; F174-F206 HydrophobicContact CG-CZ 4.43Å; F174-F206 AromaticContact CZ-CE2 3.82Å; F174-F206 HydrophobicContact CZ-CE2 3.82Å; F174-F206 HydrophobicContact CZ-CZ 4.45Å; F174-L209 HydrophobicContact CB-CD1 4.03Å; F174-L209 HydrophobicContact CD2-CD1 3.91Å; F174-L209 HydrophobicContact CG-CD1 4.08Å; F174-L288 HydrophobicContact CD1-CD1 4.09Å; F174-L288 HydrophobicContact CE1-CD1 4.37Å; F174-F292 HydrophobicContact CE1-CE2 4.42Å; F174-F306 HydrophobicContact CE2-CE2 4.24Å; F174-F306 HydrophobicContact CE2-CZ 4.22Å; F174-F306 AromaticContact CZ-CE2 3.77Å; F174-F306 HydrophobicContact CZ-CE2 3.77Å; F174-F306 HydrophobicContact CZ-CZ 4.13Å; F174-F309 HydrophobicContact CE1-CE1 4.33Å
175	L	93.6	Very high	90.9	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.4	-43.6	177.3	-67.3	167.1	0	0	0	111.6	F117 F158 I167 E171 Y172 C177 I178 L179 L288 F309 L313	F117-L175 HydrophobicContact CD2-CB 4.2Å; F117-L175 HydrophobicContact CD2-CD1 3.86Å; F117-L175 HydrophobicContact CE2-CB 3.37Å; F117-L175 HydrophobicContact CE2-CD1 3.89Å; F117-L175 HydrophobicContact CE2-CG 4.27Å; F117-L175 HydrophobicContact CG-CD1 4.3Å; F117-L175 HydrophobicContact CZ-CB 3.57Å; F117-L175 HydrophobicContact CZ-CD1 4.34Å; F117-L175 HydrophobicContact CZ-CG 4.49Å; F158-L175 HydrophobicContact CE2-CD1 3.94Å; F158-L175 HydrophobicContact CZ-CD1 3.89Å; F158-L175 HydrophobicContact CZ-CD2 3.93Å; I167-L175 HydrophobicContact CD1-CD1 4.11Å; I167-L175 HydrophobicContact CG2-CD1 3.84Å; E171-L175 WeakPolarHBondContact O-CB 3.47Å; E171-L175 WeakPolarHBondContact O-CG 3.5Å; E171-L175 PolarHBondContact O-N 2.91Å; Y172-L175 PolarHBondContact O-N 3.22Å; L175-C177 VanDerWaalsContact C-N 3.28Å; L175-C177 PolarHBondContact O-N 3.24Å; L175-I178 WeakPolarHBondContact O-CB 3.34Å; L175-I178 PolarHBondContact O-N 3.04Å; L175-I178 VanDerWaalsContact O-N 3.1Å; L175-L179 WeakPolarHBondContact O-CG 3.35Å; L175-L179 PolarHBondContact O-N 3.36Å; L175-L288 HydrophobicContact CD1-CD1 4.21Å; L175-L288 HydrophobicContact CD2-CD1 3.93Å; L175-L288 HydrophobicContact CD2-CD2 4.38Å; L175-L288 HydrophobicContact CG-CD1 4.03Å; L175-F309 HydrophobicContact CD2-CE1 4.05Å; L175-F309 HydrophobicContact CD2-CZ 3.77Å; L175-L313 HydrophobicContact CB-CD2 4.25Å; L175-L313 HydrophobicContact CD2-CD1 4.35Å; L175-L313 HydrophobicContact CD2-CD2 3.44Å; L175-L313 VanDerWaalsContact CD2-CD2 3.44Å; L175-L313 HydrophobicContact CG-CD2 4.45Å
176	L	89.6	Confident	90.8	Very high	22 Å²	22	13.3 Å²	13.3	12%	0.115	9%	0.085	C	C	.	.	H	α-helix	trans	-57.3	-42.7	172.4	-73.7	178.2	0	0	0	111.9	Y94 V121 Y172 L173 I178 L179	Y94-L176 HydrophobicContact CD1-CD1 3.46Å; Y94-L176 VanDerWaalsContact CD1-CD1 3.46Å; Y94-L176 HydrophobicContact CE1-CD1 3.65Å; Y94-L176 HydrophobicContact CG-CD1 4.48Å; V121-L176 HydrophobicContact CG1-CD2 3.72Å; Y172-L176 HydrophobicContact CD1-CD1 4.24Å; Y172-L176 HydrophobicContact CD2-CD1 4.37Å; Y172-L176 HydrophobicContact CD2-CG 4.33Å; Y172-L176 HydrophobicContact CE1-CD1 3.7Å; Y172-L176 HydrophobicContact CE2-CD1 3.84Å; Y172-L176 HydrophobicContact CE2-CD2 4.25Å; Y172-L176 HydrophobicContact CE2-CG 4Å; Y172-L176 VanDerWaalsContact CZ-CD1 3.49Å; Y172-L176 WeakPolarHBondContact O-CG 3.34Å; Y172-L176 PolarHBondContact O-N 3.33Å; L173-L176 PolarHBondContact O-N 3.41Å; L176-I178 VanDerWaalsContact C-N 3.25Å; L176-I178 PolarHBondContact O-N 3.36Å; L176-L179 PolarHBondContact O-N 2.7Å; L176-L179 VanDerWaalsContact O-N 3.16Å
177	C	87.1	Confident	90.6	Very high	6 Å²	6	17 Å²	17	4%	0.041	10%	0.099	C	C	.	.	H	α-helix	trans	-62.6	-29.2	176.7	-76	0	0	0	0	113.4	L173 F174 L175 M260 W261	L173-C177 WeakPolarHBondContact O-CB 3.34Å; L173-C177 PolarHBondContact O-N 3.09Å; L173-C177 PolarHBondContact O-SG 3.17Å; F174-C177 VanDerWaalsContact O-CB 3.32Å; F174-C177 WeakPolarHBondContact O-CB 3.5Å; F174-C177 PolarHBondContact O-N 3.3Å; L175-C177 VanDerWaalsContact C-N 3.28Å; L175-C177 PolarHBondContact O-N 3.24Å; C177-M260 WeakPolarHBondContact SG-CE 3.48Å; C177-M260 WeakPolarHBondContact SG-CG 3.42Å; C177-W261 HydrophobicContact CB-CD2 4.43Å; C177-W261 HydrophobicContact CB-CH2 4.42Å; C177-W261 HydrophobicContact CB-CZ2 3.57Å; C177-W261 WeakPolarHBondContact O-CZ2 3.49Å; C177-W261 PolarHBondContact O-NE1 2.71Å
178	I	91.4	Very high	90.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-70.9	-43.6	172.6	-67.5	168.3	0	0	0	110.8	F174 L175 L176 T180 K181 F309 M310 L313 Q314	F174-I178 HydrophobicContact CD1-CD1 4.13Å; F174-I178 HydrophobicContact CE1-CD1 3.56Å; F174-I178 HydrophobicContact CE2-CD1 4.14Å; F174-I178 HydrophobicContact CE2-CG1 4.4Å; F174-I178 HydrophobicContact CZ-CD1 3.57Å; F174-I178 HydrophobicContact CZ-CG1 4.3Å; F174-I178 WeakPolarHBondContact O-CG1 3.46Å; F174-I178 PolarHBondContact O-N 3.18Å; L175-I178 WeakPolarHBondContact O-CB 3.34Å; L175-I178 PolarHBondContact O-N 3.04Å; L175-I178 VanDerWaalsContact O-N 3.1Å; L176-I178 VanDerWaalsContact C-N 3.25Å; L176-I178 PolarHBondContact O-N 3.36Å; I178-T180 PolarHBondContact O-N 3.18Å; I178-K181 PolarHBondContact O-N 3.43Å; I178-F309 HydrophobicContact CD1-CD1 4.09Å; I178-F309 HydrophobicContact CD1-CE1 3.66Å; I178-M310 HydrophobicContact CB-CE 4.47Å; I178-M310 HydrophobicContact CD1-CG 4.01Å; I178-M310 HydrophobicContact CG1-CE 3.99Å; I178-M310 HydrophobicContact CG1-CG 4.05Å; I178-M310 HydrophobicContact CG2-CB 3.82Å; I178-M310 HydrophobicContact CG2-CE 4.24Å; I178-M310 HydrophobicContact CG2-CG 3.91Å; I178-L313 HydrophobicContact CB-CD2 4.01Å; I178-L313 HydrophobicContact CD1-CD2 4.05Å; I178-L313 HydrophobicContact CG2-CD2 3.87Å; I178-Q314 HydrophobicContact CG2-CG 4.33Å; I178-Q314 PolarHBondContact O-NE2 3.27Å
179	L	89.9	Confident	90	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-59	-20.8	-170.5	-67.1	-173.8	0	0	0	115.3	F117 V121 L175 L176 L313 V317 N380	F117-L179 HydrophobicContact CZ-CD1 3.98Å; F117-L179 HydrophobicContact CZ-CG 4.44Å; V121-L179 HydrophobicContact CB-CD1 4.06Å; V121-L179 HydrophobicContact CG1-CD1 3.78Å; V121-L179 HydrophobicContact CG2-CD1 4.26Å; L175-L179 WeakPolarHBondContact O-CG 3.35Å; L175-L179 PolarHBondContact O-N 3.36Å; L176-L179 PolarHBondContact O-N 2.7Å; L176-L179 VanDerWaalsContact O-N 3.16Å; L179-L313 HydrophobicContact CD2-CD2 4.26Å; L179-L313 HydrophobicContact CD2-CG 3.98Å; L179-V317 HydrophobicContact CD1-CG1 4.47Å; L179-V317 HydrophobicContact CD1-CG2 4.22Å; L179-V317 HydrophobicContact CD2-CB 4.11Å; L179-V317 HydrophobicContact CD2-CG2 3.68Å; L179-N380 PolarHBondContact O-ND2 3.38Å
180	T	85.6	Confident	90	Very high	39 Å²	39	21.4 Å²	21.4	24%	0.239	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	3.9	-178.7	59	0	0	0	0	113	I178 L449 R451	I178-T180 PolarHBondContact O-N 3.18Å; T180-L449 VanDerWaalsContact CG2-O 3.28Å; T180-L449 WeakPolarHBondContact CG2-O 3.47Å; T180-R451 HydrophobicContact CG2-CG 4.31Å
181	K	88.7	Confident	89.9	Confident	23 Å²	23	25.2 Å²	25.2	10%	0.1	14%	0.141	C	C	.	.			trans	-78.3	131.5	-178.7	-163.8	72.4	169.3	-170.8	0	110.8	I178 G185 F186 W261 M310 Q314	I178-K181 PolarHBondContact O-N 3.43Å; K181-G185 WeakPolarHBondContact CE-O 3.19Å; K181-F186 HydrophobicContact CB-CD1 4.24Å; K181-F186 HydrophobicContact CB-CE1 3.95Å; K181-F186 HydrophobicContact CG-CD1 3.87Å; K181-F186 HydrophobicContact CG-CE1 4.09Å; K181-F186 WeakPolarHBondContact O-CE1 3.46Å; K181-W261 HydrophobicContact CD-CD2 4.32Å; K181-W261 HydrophobicContact CD-CG 4.45Å; K181-W261 HydrophobicContact CD-CZ2 4.11Å; K181-W261 VanDerWaalsContact NZ-CG 3.33Å; K181-M310 HydrophobicContact CB-CE 4.2Å; K181-M310 HydrophobicContact CG-CE 4.07Å; K181-Q314 PolarHBondContact O-NE2 3.46Å
182	P	89.9	Confident	89.5	Confident	32 Å²	32	26.5 Å²	26.5	21%	0.208	15%	0.147	C	C	.	.			trans	-68.6	150.5	166.8	26.3	-33.2	0	0	0	111.3	A184 G185 F186 N380 N381	P182-A184 VanDerWaalsContact C-N 3.3Å; P182-A184 PolarHBondContact O-N 3.09Å; P182-G185 VanDerWaalsContact O-CA 3.29Å; P182-G185 WeakPolarHBondContact O-CA 3.31Å; P182-G185 PolarHBondContact O-N 3.17Å; P182-F186 VanDerWaalsContact O-CD1 3.25Å; P182-F186 WeakPolarHBondContact O-CD1 3.48Å; P182-N380 WeakPolarHBondContact CB-O 3.41Å; P182-N380 WeakPolarHBondContact CD-O 3.31Å; P182-N381 WeakPolarHBondContact CB-OD1 3.4Å
183	H	89.9	Confident	89.1	Confident	48 Å²	48	26.8 Å²	26.8	22%	0.222	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-38.3	-177.6	-73.3	-144.1	0	0	0	112.8	G185 F186 Y307 D311 Q377	H183-G185 PolarHBondContact O-N 3.38Å; H183-F186 AromaticContact CD2-CZ 3.76Å; H183-F186 VanDerWaalsContact O-CB 3.31Å; H183-F186 WeakPolarHBondContact O-CB 3.28Å; H183-F186 WeakPolarHBondContact O-CG 3.48Å; H183-F186 PolarHBondContact O-N 2.91Å; H183-Y307 AromaticContact ND1-CZ 3.98Å; H183-Y307 PolarHBondContact ND1-OH 2.86Å; H183-D311 IonicContact CE1-OD1 3.98Å; H183-D311 PolarHBondContact CE1-OD1 2.91Å; H183-D311 IonicContact NE2-OD1 2.69Å; H183-Q377 PolarHBondContact CE1-NE2 3.44Å; H183-Q377 VanDerWaalsContact CE1-NE2 3.3Å; H183-Q377 PolarHBondContact NE2-NE2 3.04Å
184	A	87.1	Confident	89	Confident	80 Å²	80	27.5 Å²	27.5	66%	0.661	15%	0.153	S	C	*	.	H	α-helix	trans	-59.1	-28.9	173.3	0	0	0	0	0	112.4	P182 F186	P182-A184 VanDerWaalsContact C-N 3.3Å; P182-A184 PolarHBondContact O-N 3.09Å; A184-F186 VanDerWaalsContact C-N 3.32Å; A184-F186 PolarHBondContact O-N 3.49Å
185	G	88.6	Confident	88.7	Confident	7 Å²	7	30.1 Å²	30.1	7%	0.072	17%	0.174	C	C	.	.	H	α-helix	trans	-77.2	-7.6	174.9	0	0	0	0	0	115.1	K181 P182 H183 A189	K181-G185 WeakPolarHBondContact CE-O 3.19Å; P182-G185 VanDerWaalsContact O-CA 3.29Å; P182-G185 WeakPolarHBondContact O-CA 3.31Å; P182-G185 PolarHBondContact O-N 3.17Å; H183-G185 PolarHBondContact O-N 3.38Å; G185-A189 WeakPolarHBondContact O-CB 3.04Å; G185-A189 PolarHBondContact O-N 3.42Å
186	F	92.4	Very high	88.2	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-70.9	-44.5	-178.1	-68.7	9.2	0	0	0	111.4	K181 P182 H183 A184 I188 A189 F190 Y307 M310 D311	K181-F186 HydrophobicContact CB-CD1 4.24Å; K181-F186 HydrophobicContact CB-CE1 3.95Å; K181-F186 HydrophobicContact CG-CD1 3.87Å; K181-F186 HydrophobicContact CG-CE1 4.09Å; K181-F186 WeakPolarHBondContact O-CE1 3.46Å; P182-F186 VanDerWaalsContact O-CD1 3.25Å; P182-F186 WeakPolarHBondContact O-CD1 3.48Å; H183-F186 AromaticContact CD2-CZ 3.76Å; H183-F186 VanDerWaalsContact O-CB 3.31Å; H183-F186 WeakPolarHBondContact O-CB 3.28Å; H183-F186 WeakPolarHBondContact O-CG 3.48Å; H183-F186 PolarHBondContact O-N 2.91Å; A184-F186 VanDerWaalsContact C-N 3.32Å; A184-F186 PolarHBondContact O-N 3.49Å; F186-I188 VanDerWaalsContact C-N 3.32Å; F186-I188 PolarHBondContact O-N 2.83Å; F186-A189 PolarHBondContact O-N 3.1Å; F186-F190 PolarHBondContact O-N 2.79Å; F186-Y307 HydrophobicContact CB-CD2 4.19Å; F186-Y307 AromaticContact CD2-CD2 3.54Å; F186-Y307 HydrophobicContact CD2-CD2 3.54Å; F186-Y307 AromaticContact CD2-CE2 3.69Å; F186-Y307 HydrophobicContact CD2-CE2 3.69Å; F186-Y307 HydrophobicContact CD2-CG 4.15Å; F186-Y307 HydrophobicContact CE2-CD2 4.38Å; F186-Y307 HydrophobicContact CE2-CE2 4.25Å; F186-Y307 HydrophobicContact CG-CD2 4.34Å; F186-M310 HydrophobicContact CB-CE 4.24Å; F186-M310 HydrophobicContact CB-SD 3.87Å; F186-M310 HydrophobicContact CD1-CE 3.26Å; F186-M310 HydrophobicContact CD1-SD 3.87Å; F186-M310 HydrophobicContact CD2-CB 3.76Å; F186-M310 HydrophobicContact CD2-CE 4.37Å; F186-M310 HydrophobicContact CD2-CG 4.48Å; F186-M310 HydrophobicContact CD2-SD 3.95Å; F186-M310 HydrophobicContact CE1-CB 4.26Å; F186-M310 HydrophobicContact CE1-CE 3.62Å; F186-M310 HydrophobicContact CE1-SD 4.41Å; F186-M310 HydrophobicContact CE2-CB 3.47Å; F186-M310 VanDerWaalsContact CE2-CB 3.47Å; F186-M310 HydrophobicContact CG-CB 4.31Å; F186-M310 HydrophobicContact CG-CE 3.7Å; F186-M310 HydrophobicContact CG-SD 3.62Å; F186-M310 HydrophobicContact CZ-CB 3.75Å; F186-M310 HydrophobicContact CZ-CE 4.33Å; F186-D311 HydrophobicContact CE2-CB 4.41Å
187	R	91.8	Very high	88	Confident	80 Å²	80	37.1 Å²	37.1	30%	0.302	22%	0.224	S	C	.	.	H	α-helix	trans	-66.3	-36.4	175	-171.2	67.8	-167.5	-128.2	-2.3	111.5	A189 F190 N191 E199 F303	R187-A189 VanDerWaalsContact C-N 3.32Å; R187-A189 PolarHBondContact O-N 3.28Å; R187-F190 PolarHBondContact O-N 2.9Å; R187-N191 PolarHBondContact NE-OD1 3.49Å; R187-N191 WeakPolarHBondContact O-CB 3.47Å; R187-N191 VanDerWaalsContact O-CG 3.23Å; R187-N191 PolarHBondContact O-N 3.22Å; R187-N191 PolarHBondContact O-OD1 3.3Å; R187-N191 VanDerWaalsContact O-OD1 3.08Å; R187-E199 IonicContact CZ-OE1 3.88Å; R187-E199 IonicContact NH1-OE1 3.89Å; R187-E199 IonicContact NH2-OE1 2.91Å; R187-E199 PolarHBondContact NH2-OE1 2.94Å; R187-F303 VanDerWaalsContact CA-CE2 3.49Å; R187-F303 HydrophobicContact CB-CE2 3.74Å; R187-F303 HydrophobicContact CB-CZ 3.78Å; R187-F303 VanDerWaalsContact CD-CD2 3.48Å; R187-F303 HydrophobicContact CG-CE2 4.23Å; R187-F303 HydrophobicContact CG-CZ 4.3Å
188	I	89.4	Confident	88.1	Confident	95 Å²	95	40.3 Å²	40.3	49%	0.487	24%	0.241	S	C	.	.	H	α-helix	trans	-62	-41.1	173.5	-63.8	174.6	0	0	0	110.8	F186 M192	F186-I188 VanDerWaalsContact C-N 3.32Å; F186-I188 PolarHBondContact O-N 2.83Å; I188-M192 HydrophobicContact CG2-CE 3.67Å; I188-M192 WeakPolarHBondContact O-CG 3.32Å; I188-M192 PolarHBondContact O-N 3.37Å
189	A	88	Confident	88.2	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.3	-45.9	175.1	0	0	0	0	0	111.8	G185 F186 R187 N191 M192 F193 W261 F306	G185-A189 WeakPolarHBondContact O-CB 3.04Å; G185-A189 PolarHBondContact O-N 3.42Å; F186-A189 PolarHBondContact O-N 3.1Å; R187-A189 VanDerWaalsContact C-N 3.32Å; R187-A189 PolarHBondContact O-N 3.28Å; A189-N191 PolarHBondContact O-N 2.65Å; A189-M192 WeakPolarHBondContact O-CB 3.46Å; A189-M192 PolarHBondContact O-N 2.64Å; A189-F193 WeakPolarHBondContact O-CD2 3.28Å; A189-W261 HydrophobicContact CB-CE3 4.47Å; A189-W261 HydrophobicContact CB-CH2 3.62Å; A189-W261 HydrophobicContact CB-CZ2 4.37Å; A189-W261 HydrophobicContact CB-CZ3 3.67Å; A189-F306 HydrophobicContact CB-CE1 4.32Å
190	F	90.9	Very high	88.3	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-56.3	-49.3	176.6	-175.2	-91.1	0	0	0	112	F186 R187 M192 F193 D194 E199 V201 F303 F306	F186-F190 PolarHBondContact O-N 2.79Å; R187-F190 PolarHBondContact O-N 2.9Å; F190-M192 PolarHBondContact O-N 2.76Å; F190-F193 WeakPolarHBondContact O-CB 3.47Å; F190-F193 PolarHBondContact O-N 3.37Å; F190-D194 HydrophobicContact CD1-CB 4.38Å; F190-D194 HydrophobicContact CE1-CB 4.09Å; F190-D194 PolarHBondContact O-N 2.73Å; F190-E199 WeakPolarHBondContact CZ-O 3.36Å; F190-V201 HydrophobicContact CD2-CG2 4.03Å; F190-V201 HydrophobicContact CE1-CG2 4.49Å; F190-V201 HydrophobicContact CE2-CB 4.48Å; F190-V201 HydrophobicContact CE2-CG2 3.61Å; F190-V201 HydrophobicContact CZ-CG2 3.87Å; F190-F303 HydrophobicContact CB-CD2 3.8Å; F190-F303 HydrophobicContact CB-CE2 4.34Å; F190-F303 HydrophobicContact CD1-CB 4.15Å; F190-F303 HydrophobicContact CD1-CD2 4.23Å; F190-F303 HydrophobicContact CD2-CB 4.21Å; F190-F303 HydrophobicContact CD2-CD2 4.12Å; F190-F303 HydrophobicContact CE1-CB 4.06Å; F190-F303 HydrophobicContact CE2-CB 4.11Å; F190-F303 HydrophobicContact CG-CB 4.22Å; F190-F303 AromaticContact CG-CD2 3.78Å; F190-F303 HydrophobicContact CG-CD2 3.78Å; F190-F303 HydrophobicContact CG-CG 4.46Å; F190-F303 HydrophobicContact CZ-CB 4.03Å; F190-F306 HydrophobicContact CB-CD1 3.94Å; F190-F306 HydrophobicContact CB-CE1 4.02Å; F190-F306 HydrophobicContact CD2-CB 3.85Å; F190-F306 AromaticContact CD2-CD1 3.77Å; F190-F306 HydrophobicContact CD2-CD1 3.77Å; F190-F306 HydrophobicContact CD2-CD2 4.5Å; F190-F306 HydrophobicContact CD2-CE1 4.4Å; F190-F306 AromaticContact CD2-CG 3.82Å; F190-F306 HydrophobicContact CD2-CG 3.82Å; F190-F306 HydrophobicContact CE2-CB 4.22Å; F190-F306 HydrophobicContact CG-CD1 4.35Å
191	N	88	Confident	88.7	Confident	86 Å²	86	45.4 Å²	45.4	46%	0.46	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-2.6	176	-65.2	19.6	0	0	0	114.2	R187 A189	R187-N191 PolarHBondContact NE-OD1 3.49Å; R187-N191 WeakPolarHBondContact O-CB 3.47Å; R187-N191 VanDerWaalsContact O-CG 3.23Å; R187-N191 PolarHBondContact O-N 3.22Å; R187-N191 PolarHBondContact O-OD1 3.3Å; R187-N191 VanDerWaalsContact O-OD1 3.08Å; A189-N191 PolarHBondContact O-N 2.65Å
192	M	83.6	Confident	88.8	Confident	33 Å²	33	45.8 Å²	45.8	16%	0.163	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-14.8	168.1	-71.2	176.3	-171.2	0	0	112.7	I188 A189 F190 R265	I188-M192 HydrophobicContact CG2-CE 3.67Å; I188-M192 WeakPolarHBondContact O-CG 3.32Å; I188-M192 PolarHBondContact O-N 3.37Å; A189-M192 WeakPolarHBondContact O-CB 3.46Å; A189-M192 PolarHBondContact O-N 2.64Å; F190-M192 PolarHBondContact O-N 2.76Å; M192-R265 HydrophobicContact CE-CB 4.03Å; M192-R265 HydrophobicContact CE-CG 3.75Å; M192-R265 HydrophobicContact SD-CB 4.08Å; M192-R265 HydrophobicContact SD-CG 4.28Å
193	F	85.6	Confident	88.8	Confident	8 Å²	8	44.9 Å²	44.9	4%	0.035	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-50.8	172.9	-71.2	-85.2	0	0	0	111.3	F174 A189 F190 A195 V201 E205 F206 L209 F306	F174-F193 AromaticContact CD2-CZ 3.91Å; F174-F193 HydrophobicContact CD2-CZ 3.91Å; F174-F193 AromaticContact CE2-CE2 3.91Å; F174-F193 HydrophobicContact CE2-CE2 3.91Å; F174-F193 AromaticContact CE2-CZ 3.56Å; F174-F193 HydrophobicContact CE2-CZ 3.56Å; F174-F193 HydrophobicContact CZ-CZ 4.46Å; A189-F193 WeakPolarHBondContact O-CD2 3.28Å; F190-F193 WeakPolarHBondContact O-CB 3.47Å; F190-F193 PolarHBondContact O-N 3.37Å; F193-A195 PolarHBondContact O-N 2.81Å; F193-V201 HydrophobicContact CB-CB 4.39Å; F193-V201 HydrophobicContact CB-CG1 3.86Å; F193-V201 HydrophobicContact CB-CG2 3.53Å; F193-V201 HydrophobicContact CG-CG1 4.45Å; F193-E205 WeakPolarHBondContact O-CB 3.48Å; F193-F206 HydrophobicContact CD1-CD2 4.26Å; F193-F206 AromaticContact CE1-CD2 3.77Å; F193-F206 HydrophobicContact CE1-CD2 3.77Å; F193-F206 HydrophobicContact CE1-CE2 4.23Å; F193-F206 HydrophobicContact CZ-CD2 4.38Å; F193-F206 HydrophobicContact CZ-CE2 4.46Å; F193-L209 HydrophobicContact CE1-CD1 3.59Å; F193-L209 HydrophobicContact CE1-CD2 3.59Å; F193-L209 HydrophobicContact CE1-CG 3.51Å; F193-L209 HydrophobicContact CZ-CD1 3.75Å; F193-L209 HydrophobicContact CZ-CD2 3.7Å; F193-L209 HydrophobicContact CZ-CG 3.98Å; F193-F306 HydrophobicContact CD2-CZ 4.16Å; F193-F306 HydrophobicContact CE2-CE2 4.33Å; F193-F306 AromaticContact CE2-CZ 3.9Å; F193-F306 HydrophobicContact CE2-CZ 3.9Å
194	D	88.1	Confident	88.6	Confident	17 Å²	17	48.9 Å²	48.9	9%	0.091	27%	0.272	C	S	.	.			trans	-61	98.4	174.5	175.6	5.4	0	0	0	108.9	F190 G197 N198 E199 M200 V201	F190-D194 HydrophobicContact CD1-CB 4.38Å; F190-D194 HydrophobicContact CE1-CB 4.09Å; F190-D194 PolarHBondContact O-N 2.73Å; D194-G197 VanDerWaalsContact OD1-C 3.28Å; D194-G197 WeakPolarHBondContact OD1-CA 3.26Å; D194-G197 PolarHBondContact OD1-N 3.33Å; D194-N198 PolarHBondContact OD1-N 3.4Å; D194-E199 VanDerWaalsContact OD2-CA 3.29Å; D194-E199 WeakPolarHBondContact OD2-CA 3.33Å; D194-E199 PolarHBondContact OD2-N 2.91Å; D194-M200 WeakPolarHBondContact CB-O 3.45Å; D194-V201 HydrophobicContact CB-CG2 4.36Å
195	A	82.4	Confident	88.6	Confident	54 Å²	54	45.7 Å²	45.7	45%	0.446	24%	0.243	S	C	.	.			trans	-103.2	-25.2	-167.6	0	0	0	0	0	112.9	F193 E205 F273	F193-A195 PolarHBondContact O-N 2.81Å; A195-E205 PolarHBondContact N-OE1 3.47Å; A195-F273 HydrophobicContact CB-CD1 4.06Å; A195-F273 HydrophobicContact CB-CD2 4.42Å; A195-F273 HydrophobicContact CB-CE1 3.34Å; A195-F273 HydrophobicContact CB-CE2 3.8Å; A195-F273 HydrophobicContact CB-CZ 3.22Å
196	D	83.1	Confident	88.6	Confident	114 Å²	114	45.8 Å²	45.8	61%	0.61	24%	0.242	S	C	*	.	S	Bend	trans	-90.3	-12.8	171.6	71.9	-1.9	0	0	0	112.9	N198	D196-N198 WeakPolarHBondContact OD1-CB 3.49Å; D196-N198 PolarHBondContact OD1-N 3.44Å; D196-N198 PolarHBondContact OD1-ND2 3.46Å; D196-N198 PolarHBondContact OD2-ND2 2.99Å
197	G	86.3	Confident	88.3	Confident	55 Å²	55	46.8 Å²	46.8	57%	0.567	25%	0.247	S	C	*	.	S	Bend	trans	83.6	24.9	177.6	0	0	0	0	0	113.7	D194 E199	D194-G197 VanDerWaalsContact OD1-C 3.28Å; D194-G197 WeakPolarHBondContact OD1-CA 3.26Å; D194-G197 PolarHBondContact OD1-N 3.33Å; G197-E199 VanDerWaalsContact C-N 3.32Å; G197-E199 PolarHBondContact O-N 2.92Å
198	N	89.8	Confident	87.8	Confident	73 Å²	73	43.2 Å²	43.2	39%	0.39	23%	0.234	S	C	.	.	S	Bend	trans	-84.1	1.4	-174.3	74	31.5	0	0	0	114.6	D194 D196 M200	D194-N198 PolarHBondContact OD1-N 3.4Å; D196-N198 WeakPolarHBondContact OD1-CB 3.49Å; D196-N198 PolarHBondContact OD1-N 3.44Å; D196-N198 PolarHBondContact OD1-ND2 3.46Å; D196-N198 PolarHBondContact OD2-ND2 2.99Å; N198-M200 PolarHBondContact O-N 3.29Å; N198-M200 VanDerWaalsContact OD1-CA 3.23Å; N198-M200 WeakPolarHBondContact OD1-CA 3.21Å; N198-M200 WeakPolarHBondContact OD1-CB 3.47Å; N198-M200 PolarHBondContact OD1-N 3.28Å; N198-M200 PolarHBondContact OD1-O 3.1Å
199	E	92.2	Very high	87.1	Confident	114 Å²	114	39.1 Å²	39.1	53%	0.533	21%	0.213	S	C	.	.	S	Bend	trans	64.1	16.3	-174.4	-57.4	-157.6	110.3	0	0	115.7	R187 F190 D194 G197	R187-E199 IonicContact CZ-OE1 3.88Å; R187-E199 IonicContact NH1-OE1 3.89Å; R187-E199 IonicContact NH2-OE1 2.91Å; R187-E199 PolarHBondContact NH2-OE1 2.94Å; F190-E199 WeakPolarHBondContact CZ-O 3.36Å; D194-E199 VanDerWaalsContact OD2-CA 3.29Å; D194-E199 WeakPolarHBondContact OD2-CA 3.33Å; D194-E199 PolarHBondContact OD2-N 2.91Å; G197-E199 VanDerWaalsContact C-N 3.32Å; G197-E199 PolarHBondContact O-N 2.92Å
200	M	93.3	Very high	86.5	Confident	33 Å²	33	40 Å²	40	16%	0.163	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	169.5	172.3	-45.5	-73.6	-65.9	0	0	109.3	D194 N198 E300 L301 K302	D194-M200 WeakPolarHBondContact CB-O 3.45Å; N198-M200 PolarHBondContact O-N 3.29Å; N198-M200 VanDerWaalsContact OD1-CA 3.23Å; N198-M200 WeakPolarHBondContact OD1-CA 3.21Å; N198-M200 WeakPolarHBondContact OD1-CB 3.47Å; N198-M200 PolarHBondContact OD1-N 3.28Å; N198-M200 PolarHBondContact OD1-O 3.1Å; M200-E300 HydrophobicContact CB-CB 4.16Å; M200-E300 HydrophobicContact CE-CB 3.38Å; M200-L301 CarbonylContact C-O 3.55Å; M200-L301 WeakPolarHBondContact CA-O 3.48Å; M200-K302 HydrophobicContact CE-CD 4.37Å; M200-K302 HydrophobicContact CE-CG 3.58Å; M200-K302 HydrophobicContact SD-CD 4.26Å; M200-K302 HydrophobicContact SD-CG 3.5Å; M200-K302 VanDerWaalsContact SD-CG 3.5Å
201	V	92.7	Very high	85.6	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.9	166.3	174.2	0	0	0	0	108.3	F190 F193 D194 E205 F206 F293 L301	F190-V201 HydrophobicContact CD2-CG2 4.03Å; F190-V201 HydrophobicContact CE1-CG2 4.49Å; F190-V201 HydrophobicContact CE2-CB 4.48Å; F190-V201 HydrophobicContact CE2-CG2 3.61Å; F190-V201 HydrophobicContact CZ-CG2 3.87Å; F193-V201 HydrophobicContact CB-CB 4.39Å; F193-V201 HydrophobicContact CB-CG1 3.86Å; F193-V201 HydrophobicContact CB-CG2 3.53Å; F193-V201 HydrophobicContact CG-CG1 4.45Å; D194-V201 HydrophobicContact CB-CG2 4.36Å; V201-E205 WeakPolarHBondContact CA-OE2 3.48Å; V201-E205 HydrophobicContact CG1-CB 4.02Å; V201-F206 HydrophobicContact CG1-CB 4.32Å; V201-F293 WeakPolarHBondContact O-CE1 3.4Å; V201-L301 HydrophobicContact CB-CB 4.33Å; V201-L301 PolarHBondContact N-O 3.43Å; V201-L301 PolarHBondContact O-N 2.9Å
202	D	91.4	Very high	84.9	Confident	31 Å²	31	36.8 Å²	36.8	17%	0.166	20%	0.2	C	C	.	.			trans	-90.6	169	175.1	108.2	-20.6	0	0	0	112.4	R204 E205 F206	D202-R204 PolarHBondContact O-N 3.41Å; D202-R204 VanDerWaalsContact OD1-CA 3.27Å; D202-R204 WeakPolarHBondContact OD1-CA 3.43Å; D202-R204 WeakPolarHBondContact OD1-CB 3.32Å; D202-R204 PolarHBondContact OD1-N 2.92Å; D202-R204 IonicContact OD1-NE 3.35Å; D202-R204 IonicContact OD2-CZ 2.8Å; D202-R204 IonicContact OD2-NE 3.99Å; D202-R204 PolarHBondContact OD2-NE 3.4Å; D202-R204 IonicContact OD2-NH2 2.96Å; D202-R204 PolarHBondContact OD2-NH2 2.88Å; D202-E205 PolarHBondContact N-OE2 2.92Å; D202-E205 PolarHBondContact O-N 3.49Å; D202-E205 PolarHBondContact OD1-N 3.17Å; D202-F206 PolarHBondContact O-N 3.24Å; D202-F206 VanDerWaalsContact O-N 3.16Å
203	K	90.1	Very high	84.3	Confident	14 Å²	14	35.5 Å²	35.5	6%	0.061	19%	0.193	C	C	.	.	H	α-helix	trans	-59.3	-31.6	-179.3	-175.6	178.5	173.5	-170.4	0	112.4	L207 V280 E285 L289 F293	K203-L207 HydrophobicContact CG-CD1 4.15Å; K203-L207 WeakPolarHBondContact O-CD1 3.19Å; K203-L207 WeakPolarHBondContact O-CG 3.28Å; K203-L207 PolarHBondContact O-N 3.47Å; K203-V280 HydrophobicContact CD-CG1 4.5Å; K203-E285 VanDerWaalsContact NZ-CD 3.34Å; K203-E285 IonicContact NZ-OE1 3.96Å; K203-E285 PolarHBondContact NZ-OE1 3.02Å; K203-E285 IonicContact NZ-OE2 2.8Å; K203-E285 PolarHBondContact NZ-OE2 3.48Å; K203-L289 HydrophobicContact CG-CD2 4.19Å; K203-F293 HydrophobicContact CB-CB 4.21Å; K203-F293 HydrophobicContact CB-CD1 4.38Å; K203-F293 HydrophobicContact CB-CD2 3.9Å; K203-F293 HydrophobicContact CB-CE2 4.44Å; K203-F293 HydrophobicContact CB-CG 3.88Å; K203-F293 HydrophobicContact CG-CD2 3.92Å; K203-F293 HydrophobicContact CG-CG 4.33Å
204	R	85.9	Confident	83.7	Confident	132 Å²	132	36.9 Å²	36.9	50%	0.498	20%	0.198	S	C	.	.	H	α-helix	trans	-76	-43.7	-177.7	-51.3	176.9	-109.1	-113	-12	110.7	D202 F206 L207 V208 V280	D202-R204 PolarHBondContact O-N 3.41Å; D202-R204 VanDerWaalsContact OD1-CA 3.27Å; D202-R204 WeakPolarHBondContact OD1-CA 3.43Å; D202-R204 WeakPolarHBondContact OD1-CB 3.32Å; D202-R204 PolarHBondContact OD1-N 2.92Å; D202-R204 IonicContact OD1-NE 3.35Å; D202-R204 IonicContact OD2-CZ 2.8Å; D202-R204 IonicContact OD2-NE 3.99Å; D202-R204 PolarHBondContact OD2-NE 3.4Å; D202-R204 IonicContact OD2-NH2 2.96Å; D202-R204 PolarHBondContact OD2-NH2 2.88Å; R204-F206 VanDerWaalsContact C-N 3.32Å; R204-F206 PolarHBondContact O-N 3.08Å; R204-L207 WeakPolarHBondContact O-CB 3.4Å; R204-L207 PolarHBondContact O-N 3.21Å; R204-L207 VanDerWaalsContact O-N 3.09Å; R204-V208 PolarHBondContact O-N 3Å; R204-V280 HydrophobicContact CG-CG1 4.19Å; R204-V280 HydrophobicContact CG-CG2 3.95Å
205	E	87.7	Confident	82.7	Confident	13 Å²	13	38.4 Å²	38.4	6%	0.061	20%	0.204	C	C	.	.	H	α-helix	trans	-59.6	-42.4	175.5	-69.8	178.8	127.1	0	0	111.7	F193 A195 V201 D202 L207 V208 F273	F193-E205 WeakPolarHBondContact O-CB 3.48Å; A195-E205 PolarHBondContact N-OE1 3.47Å; V201-E205 WeakPolarHBondContact CA-OE2 3.48Å; V201-E205 HydrophobicContact CG1-CB 4.02Å; D202-E205 PolarHBondContact N-OE2 2.92Å; D202-E205 PolarHBondContact O-N 3.49Å; D202-E205 PolarHBondContact OD1-N 3.17Å; E205-L207 VanDerWaalsContact C-N 3.31Å; E205-L207 PolarHBondContact O-N 3.07Å; E205-V208 VanDerWaalsContact O-CB 3.28Å; E205-V208 WeakPolarHBondContact O-CB 3.33Å; E205-V208 WeakPolarHBondContact O-CG2 3.41Å; E205-V208 PolarHBondContact O-N 3.2Å; E205-F273 HydrophobicContact CG-CE1 4.16Å
206	F	87.8	Confident	82	Confident	8 Å²	8	39 Å²	39	4%	0.035	20%	0.196	C	C	.	.	H	α-helix	trans	-63.9	-35.9	173.4	-170.9	-98.7	0	0	0	113	F174 F193 V201 D202 R204 V208 L209 L288 L289 F292 F293	F174-F206 HydrophobicContact CD1-CE2 4.08Å; F174-F206 AromaticContact CD1-CZ 3.91Å; F174-F206 HydrophobicContact CD1-CZ 3.91Å; F174-F206 AromaticContact CE1-CE2 3.73Å; F174-F206 HydrophobicContact CE1-CE2 3.73Å; F174-F206 AromaticContact CE1-CZ 3.91Å; F174-F206 HydrophobicContact CE1-CZ 3.91Å; F174-F206 HydrophobicContact CE2-CE2 4.24Å; F174-F206 HydrophobicContact CG-CE2 4.47Å; F174-F206 HydrophobicContact CG-CZ 4.43Å; F174-F206 AromaticContact CZ-CE2 3.82Å; F174-F206 HydrophobicContact CZ-CE2 3.82Å; F174-F206 HydrophobicContact CZ-CZ 4.45Å; F193-F206 HydrophobicContact CD1-CD2 4.26Å; F193-F206 AromaticContact CE1-CD2 3.77Å; F193-F206 HydrophobicContact CE1-CD2 3.77Å; F193-F206 HydrophobicContact CE1-CE2 4.23Å; F193-F206 HydrophobicContact CZ-CD2 4.38Å; F193-F206 HydrophobicContact CZ-CE2 4.46Å; V201-F206 HydrophobicContact CG1-CB 4.32Å; D202-F206 PolarHBondContact O-N 3.24Å; D202-F206 VanDerWaalsContact O-N 3.16Å; R204-F206 VanDerWaalsContact C-N 3.32Å; R204-F206 PolarHBondContact O-N 3.08Å; F206-V208 PolarHBondContact O-N 2.84Å; F206-L209 HydrophobicContact CE2-CD1 4.32Å; F206-L209 HydrophobicContact CZ-CD1 4.45Å; F206-L209 WeakPolarHBondContact O-CG 3.41Å; F206-L288 HydrophobicContact CZ-CD1 4.5Å; F206-L289 HydrophobicContact CD1-CD2 3.79Å; F206-L289 HydrophobicContact CE1-CD2 4.23Å; F206-F292 HydrophobicContact CE2-CD2 4.37Å; F206-F292 HydrophobicContact CE2-CE2 4.02Å; F206-F292 HydrophobicContact CZ-CD2 4.46Å; F206-F292 HydrophobicContact CZ-CE2 4.12Å; F206-F293 HydrophobicContact CB-CE2 3.74Å; F206-F293 HydrophobicContact CB-CZ 3.55Å; F206-F293 HydrophobicContact CD1-CE2 4Å; F206-F293 HydrophobicContact CD1-CZ 4.49Å; F206-F293 HydrophobicContact CD2-CZ 4.41Å; F206-F293 AromaticContact CG-CE2 3.88Å; F206-F293 HydrophobicContact CG-CE2 3.88Å; F206-F293 AromaticContact CG-CZ 3.92Å; F206-F293 HydrophobicContact CG-CZ 3.92Å
207	L	86.2	Confident	81.1	Confident	22 Å²	22	34.4 Å²	34.4	12%	0.115	17%	0.171	C	C	.	.	H	α-helix	trans	-71.6	-12.1	177.7	-72.7	170.3	0	0	0	114.1	K203 R204 E205 L209 E210 V280 K283 L289	K203-L207 HydrophobicContact CG-CD1 4.15Å; K203-L207 WeakPolarHBondContact O-CD1 3.19Å; K203-L207 WeakPolarHBondContact O-CG 3.28Å; K203-L207 PolarHBondContact O-N 3.47Å; R204-L207 WeakPolarHBondContact O-CB 3.4Å; R204-L207 PolarHBondContact O-N 3.21Å; R204-L207 VanDerWaalsContact O-N 3.09Å; E205-L207 VanDerWaalsContact C-N 3.31Å; E205-L207 PolarHBondContact O-N 3.07Å; L207-L209 PolarHBondContact O-N 3.26Å; L207-E210 PolarHBondContact O-N 3.41Å; L207-V280 HydrophobicContact CD1-CG1 4.08Å; L207-K283 HydrophobicContact CD2-CD 3.67Å; L207-L289 HydrophobicContact CD2-CD1 4.36Å; L207-L289 HydrophobicContact CD2-CD2 4.22Å; L207-L289 HydrophobicContact CG-CD2 4.42Å
208	V	81.1	Confident	79.8	Confident	4 Å²	4	34.8 Å²	34.8	2%	0.024	16%	0.16	C	C	.	.	H	α-helix	trans	-56.4	-35.7	174	-174.8	0	0	0	0	111.3	R204 E205 F206 E210 E211 I212 T268 V271 F273 L276	R204-V208 PolarHBondContact O-N 3Å; E205-V208 VanDerWaalsContact O-CB 3.28Å; E205-V208 WeakPolarHBondContact O-CB 3.33Å; E205-V208 WeakPolarHBondContact O-CG2 3.41Å; E205-V208 PolarHBondContact O-N 3.2Å; F206-V208 PolarHBondContact O-N 2.84Å; V208-E210 PolarHBondContact O-N 2.9Å; V208-E211 PolarHBondContact O-N 3.18Å; V208-E211 VanDerWaalsContact O-N 3.16Å; V208-I212 HydrophobicContact CG1-CD1 3.8Å; V208-I212 HydrophobicContact CG1-CG1 4.18Å; V208-I212 WeakPolarHBondContact O-CG1 3.27Å; V208-I212 PolarHBondContact O-N 3.26Å; V208-T268 HydrophobicContact CG1-CG2 4.32Å; V208-V271 HydrophobicContact CG1-CB 4.43Å; V208-V271 HydrophobicContact CG1-CG1 4.32Å; V208-F273 HydrophobicContact CG1-CZ 4.32Å; V208-F273 HydrophobicContact CG2-CD1 3.86Å; V208-F273 HydrophobicContact CG2-CE1 3.29Å; V208-F273 HydrophobicContact CG2-CZ 3.78Å; V208-L276 HydrophobicContact CB-CD1 4.3Å; V208-L276 HydrophobicContact CG2-CD1 3.45Å; V208-L276 VanDerWaalsContact CG2-CD1 3.45Å
209	L	75.2	Confident	78.2	Confident	9 Å²	9	37.8 Å²	37.8	5%	0.047	17%	0.166	C	C	.	.	H	α-helix	trans	-52.6	-44.6	178.4	-62.1	178.5	0	0	0	112.3	F174 F193 F206 L207 I212 F213 L264	F174-L209 HydrophobicContact CB-CD1 4.03Å; F174-L209 HydrophobicContact CD2-CD1 3.91Å; F174-L209 HydrophobicContact CG-CD1 4.08Å; F193-L209 HydrophobicContact CE1-CD1 3.59Å; F193-L209 HydrophobicContact CE1-CD2 3.59Å; F193-L209 HydrophobicContact CE1-CG 3.51Å; F193-L209 HydrophobicContact CZ-CD1 3.75Å; F193-L209 HydrophobicContact CZ-CD2 3.7Å; F193-L209 HydrophobicContact CZ-CG 3.98Å; F206-L209 HydrophobicContact CE2-CD1 4.32Å; F206-L209 HydrophobicContact CZ-CD1 4.45Å; F206-L209 WeakPolarHBondContact O-CG 3.41Å; L207-L209 PolarHBondContact O-N 3.26Å; L209-I212 WeakPolarHBondContact O-CB 3.28Å; L209-I212 PolarHBondContact O-N 2.81Å; L209-F213 HydrophobicContact CB-CD2 4.48Å; L209-F213 HydrophobicContact CB-CE2 4.43Å; L209-F213 WeakPolarHBondContact O-CD2 3.23Å; L209-F213 PolarHBondContact O-N 2.83Å; L209-L264 HydrophobicContact CD2-CD1 3.85Å; L209-L264 HydrophobicContact CD2-CD2 3.45Å; L209-L264 VanDerWaalsContact CD2-CD2 3.45Å; L209-L264 HydrophobicContact CD2-CG 4.23Å
210	E	75.2	Confident	76.3	Confident	20 Å²	20	37.1 Å²	37.1	9%	0.093	16%	0.161	C	C	.	.	H	α-helix	trans	-66.1	-43.3	-177.3	177.6	154.4	107.5	0	0	111	T170 L207 V208 I212 F213 R214 Y237 K283	T170-E210 HydrophobicContact CG2-CB 3.89Å; T170-E210 HydrophobicContact CG2-CG 3.86Å; T170-E210 PolarHBondContact OG1-OE2 3.34Å; L207-E210 PolarHBondContact O-N 3.41Å; V208-E210 PolarHBondContact O-N 2.9Å; E210-I212 VanDerWaalsContact C-N 3.29Å; E210-I212 PolarHBondContact O-N 3.06Å; E210-F213 PolarHBondContact O-N 2.78Å; E210-R214 WeakPolarHBondContact O-CB 3.45Å; E210-R214 PolarHBondContact O-N 3.13Å; E210-Y237 HydrophobicContact CG-CD1 4.29Å; E210-K283 VanDerWaalsContact OE1-CE 3.27Å; E210-K283 WeakPolarHBondContact OE1-CE 3.33Å; E210-K283 IonicContact OE1-NZ 2.68Å; E210-K283 PolarHBondContact OE1-NZ 3.29Å; E210-K283 IonicContact OE2-NZ 2.65Å; E210-K283 PolarHBondContact OE2-NZ 3.39Å
211	E	72.8	Confident	74.4	Confident	10 Å²	10	38.5 Å²	38.5	5%	0.047	17%	0.167	C	C	.	.	H	α-helix	trans	-65.1	-33.9	177	-171.6	59	-166.5	0	0	111.9	V208 R214 K215 R240 V271 L276	V208-E211 PolarHBondContact O-N 3.18Å; V208-E211 VanDerWaalsContact O-N 3.16Å; E211-R214 IonicContact OE1-CZ 3.81Å; E211-R214 IonicContact OE1-NH2 3.33Å; E211-R214 PolarHBondContact OE1-NH2 3.46Å; E211-R214 IonicContact OE2-CZ 3.61Å; E211-R214 IonicContact OE2-NE 3.73Å; E211-R214 PolarHBondContact OE2-NE 3.47Å; E211-R214 IonicContact OE2-NH2 2.79Å; E211-R214 PolarHBondContact OE2-NH2 3.11Å; E211-K215 HydrophobicContact CG-CD 4.07Å; E211-K215 WeakPolarHBondContact O-CB 3.48Å; E211-K215 WeakPolarHBondContact O-CG 3.39Å; E211-K215 PolarHBondContact O-N 2.92Å; E211-K215 VanDerWaalsContact OE1-CD 3.32Å; E211-K215 WeakPolarHBondContact OE1-CD 3.19Å; E211-K215 WeakPolarHBondContact OE1-CE 3.3Å; E211-K215 IonicContact OE1-NZ 3.61Å; E211-K215 PolarHBondContact OE1-NZ 3.49Å; E211-R240 IonicContact OE2-NH1 3.39Å; E211-V271 HydrophobicContact CG-CG1 4.12Å; E211-L276 HydrophobicContact CB-CD2 3.93Å; E211-L276 HydrophobicContact CG-CD2 4.01Å
212	I	73.2	Confident	72.4	Confident	8 Å²	8	44.9 Å²	44.9	4%	0.041	21%	0.206	C	C	.	.	H	α-helix	trans	-65.2	-52.2	172.9	-68.3	165.1	0	0	0	111.3	V208 L209 E210 K216 L264 T268 V271	V208-I212 HydrophobicContact CG1-CD1 3.8Å; V208-I212 HydrophobicContact CG1-CG1 4.18Å; V208-I212 WeakPolarHBondContact O-CG1 3.27Å; V208-I212 PolarHBondContact O-N 3.26Å; L209-I212 WeakPolarHBondContact O-CB 3.28Å; L209-I212 PolarHBondContact O-N 2.81Å; E210-I212 VanDerWaalsContact C-N 3.29Å; E210-I212 PolarHBondContact O-N 3.06Å; I212-K216 WeakPolarHBondContact O-CB 3.35Å; I212-K216 PolarHBondContact O-N 3.48Å; I212-L264 HydrophobicContact CD1-CD2 4.36Å; I212-L264 HydrophobicContact CG2-CD2 4.26Å; I212-T268 HydrophobicContact CD1-CG2 3.51Å; I212-T268 VanDerWaalsContact CD1-N 3.3Å; I212-V271 HydrophobicContact CG1-CG2 3.85Å
213	F	70.8	Confident	70.5	Confident	5 Å²	5	47 Å²	47	2%	0.022	23%	0.228	C	C	.	.	H	α-helix	trans	-67.6	-38	-177.7	-70.3	-57.3	0	0	0	111.9	T170 L173 L209 E210 K216 K217 Y237 M260 V263 L264	T170-F213 HydrophobicContact CG2-CB 4.46Å; T170-F213 HydrophobicContact CG2-CD2 4.39Å; L173-F213 HydrophobicContact CB-CE2 4.21Å; L173-F213 HydrophobicContact CB-CZ 4.27Å; L173-F213 HydrophobicContact CD1-CD1 3.96Å; L173-F213 HydrophobicContact CD1-CD2 4.1Å; L173-F213 HydrophobicContact CD1-CE1 3.99Å; L173-F213 HydrophobicContact CD1-CE2 4.11Å; L173-F213 HydrophobicContact CD1-CG 4.04Å; L173-F213 HydrophobicContact CD1-CZ 4.05Å; L209-F213 HydrophobicContact CB-CD2 4.48Å; L209-F213 HydrophobicContact CB-CE2 4.43Å; L209-F213 WeakPolarHBondContact O-CD2 3.23Å; L209-F213 PolarHBondContact O-N 2.83Å; E210-F213 PolarHBondContact O-N 2.78Å; F213-K216 WeakPolarHBondContact O-CB 3.45Å; F213-K216 PolarHBondContact O-N 3.38Å; F213-K217 PolarHBondContact O-N 3.22Å; F213-Y237 HydrophobicContact CB-CE1 4.34Å; F213-M260 HydrophobicContact CE1-CG 3.86Å; F213-M260 HydrophobicContact CE1-SD 3.78Å; F213-M260 HydrophobicContact CZ-CG 3.8Å; F213-M260 HydrophobicContact CZ-SD 3.86Å; F213-V263 HydrophobicContact CE1-CG1 4.34Å; F213-L264 HydrophobicContact CD2-CD2 4.4Å; F213-L264 HydrophobicContact CE1-CD2 4.11Å; F213-L264 HydrophobicContact CE2-CD2 3.6Å; F213-L264 HydrophobicContact CE2-CG 4.43Å; F213-L264 HydrophobicContact CZ-CD1 4.25Å; F213-L264 HydrophobicContact CZ-CD2 3.43Å; F213-L264 VanDerWaalsContact CZ-CD2 3.43Å; F213-L264 HydrophobicContact CZ-CG 3.88Å
214	R	71.8	Confident	68.6	Low	38 Å²	38	52.3 Å²	52.3	14%	0.143	26%	0.256	C	S	.	.	H	α-helix	trans	-64	-53.6	173.6	-166.9	-176.5	74.7	73.7	3.6	111.7	E210 E211 K216 K217 D218 Y237	E210-R214 WeakPolarHBondContact O-CB 3.45Å; E210-R214 PolarHBondContact O-N 3.13Å; E211-R214 IonicContact OE1-CZ 3.81Å; E211-R214 IonicContact OE1-NH2 3.33Å; E211-R214 PolarHBondContact OE1-NH2 3.46Å; E211-R214 IonicContact OE2-CZ 3.61Å; E211-R214 IonicContact OE2-NE 3.73Å; E211-R214 PolarHBondContact OE2-NE 3.47Å; E211-R214 IonicContact OE2-NH2 2.79Å; E211-R214 PolarHBondContact OE2-NH2 3.11Å; R214-K216 PolarHBondContact O-N 3.01Å; R214-K217 WeakPolarHBondContact O-CA 3.46Å; R214-K217 WeakPolarHBondContact O-CB 3.42Å; R214-K217 PolarHBondContact O-N 3.5Å; R214-D218 IonicContact CZ-OD2 2.69Å; R214-D218 IonicContact NH1-OD2 3.97Å; R214-D218 PolarHBondContact NH1-OD2 3.27Å; R214-D218 PolarHBondContact O-N 3.2Å; R214-Y237 HydrophobicContact CB-CD1 4.29Å; R214-Y237 HydrophobicContact CB-CE1 4.33Å; R214-Y237 HydrophobicContact CG-CG 4.37Å
215	K	68.1	Low	67.2	Low	49 Å²	49	52.3 Å²	52.3	21%	0.213	27%	0.267	C	S	.	.	H	α-helix	trans	-60.8	-27.5	176.4	-79.9	173.6	161.7	138.7	0	113	E211 K217 R219 V271 D275	E211-K215 HydrophobicContact CG-CD 4.07Å; E211-K215 WeakPolarHBondContact O-CB 3.48Å; E211-K215 WeakPolarHBondContact O-CG 3.39Å; E211-K215 PolarHBondContact O-N 2.92Å; E211-K215 VanDerWaalsContact OE1-CD 3.32Å; E211-K215 WeakPolarHBondContact OE1-CD 3.19Å; E211-K215 WeakPolarHBondContact OE1-CE 3.3Å; E211-K215 IonicContact OE1-NZ 3.61Å; E211-K215 PolarHBondContact OE1-NZ 3.49Å; K215-K217 VanDerWaalsContact C-N 3.35Å; K215-R219 VanDerWaalsContact O-CB 3.31Å; K215-R219 WeakPolarHBondContact O-CB 3.22Å; K215-R219 VanDerWaalsContact O-CG 3.28Å; K215-R219 WeakPolarHBondContact O-CG 3.49Å; K215-R219 PolarHBondContact O-N 2.88Å; K215-R219 VanDerWaalsContact O-N 3.14Å; K215-V271 HydrophobicContact CD-CG2 4.29Å; K215-D275 IonicContact NZ-OD2 3.61Å; K215-D275 PolarHBondContact NZ-OD2 3.36Å
216	K	67.4	Low	65.9	Low	66 Å²	66	56.3 Å²	56.3	29%	0.287	29%	0.292	S	S	.	.	H	α-helix	trans	-67.2	-34.4	172	-176.3	-177.7	177.4	-172.5	0	112.1	M91 I212 F213 R214 V263	M91-K216 HydrophobicContact SD-CD 4.37Å; M91-K216 PolarHBondContact SD-NZ 2.93Å; I212-K216 WeakPolarHBondContact O-CB 3.35Å; I212-K216 PolarHBondContact O-N 3.48Å; F213-K216 WeakPolarHBondContact O-CB 3.45Å; F213-K216 PolarHBondContact O-N 3.38Å; R214-K216 PolarHBondContact O-N 3.01Å; K216-V263 HydrophobicContact CD-CG1 3.72Å
217	K	63.8	Low	64.5	Low	17 Å²	17	62.9 Å²	62.9	7%	0.074	32%	0.322	C	S	.	.	H	α-helix	trans	-72.8	-56.8	173.6	-170.4	167.9	-173.1	157	0	110.8	E95 F213 R214 K215 R219 K220 E221 Y237	E95-K217 IonicContact OE1-NZ 3.27Å; E95-K217 PolarHBondContact OE1-NZ 3.19Å; E95-K217 IonicContact OE2-NZ 3.66Å; F213-K217 PolarHBondContact O-N 3.22Å; R214-K217 WeakPolarHBondContact O-CA 3.46Å; R214-K217 WeakPolarHBondContact O-CB 3.42Å; R214-K217 PolarHBondContact O-N 3.5Å; K215-K217 VanDerWaalsContact C-N 3.35Å; K217-R219 VanDerWaalsContact C-N 3.28Å; K217-R219 PolarHBondContact O-N 3.17Å; K217-R219 VanDerWaalsContact O-N 3.13Å; K217-K220 VanDerWaalsContact O-CB 3.27Å; K217-K220 WeakPolarHBondContact O-CB 3.28Å; K217-K220 PolarHBondContact O-N 3.31Å; K217-E221 WeakPolarHBondContact CE-OE1 3.17Å; K217-E221 HydrophobicContact CG-CG 4.47Å; K217-E221 WeakPolarHBondContact CG-OE1 3.44Å; K217-Y237 HydrophobicContact CD-CE2 3.84Å
218	D	59.2	Low	63.4	Low	63 Å²	63	70 Å²	70	34%	0.337	35%	0.348	S	S	.	.	H	α-helix	trans	-54.1	-38.9	-178.1	-59.6	-4.6	0	0	0	113.2	R214 K220	R214-D218 IonicContact CZ-OD2 2.69Å; R214-D218 IonicContact NH1-OD2 3.97Å; R214-D218 PolarHBondContact NH1-OD2 3.27Å; R214-D218 PolarHBondContact O-N 3.2Å; D218-K220 PolarHBondContact O-N 3.49Å; D218-K220 VanDerWaalsContact O-N 3.12Å
219	R	55.4	Low	62.7	Low	137 Å²	137	71.6 Å²	71.6	52%	0.517	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-12.4	178.7	-83.7	-178.1	173.4	178.9	3.5	114.7	K215 K217	K215-R219 VanDerWaalsContact O-CB 3.31Å; K215-R219 WeakPolarHBondContact O-CB 3.22Å; K215-R219 VanDerWaalsContact O-CG 3.28Å; K215-R219 WeakPolarHBondContact O-CG 3.49Å; K215-R219 PolarHBondContact O-N 2.88Å; K215-R219 VanDerWaalsContact O-N 3.14Å; K217-R219 VanDerWaalsContact C-N 3.28Å; K217-R219 PolarHBondContact O-N 3.17Å; K217-R219 VanDerWaalsContact O-N 3.13Å
220	K	53.2	Low	62.2	Low	100 Å²	100	77.3 Å²	77.3	44%	0.435	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-22.7	-167.6	-158.9	178.9	-171.6	176.1	0	113.1	D88 K217 D218 V222	D88-K220 WeakPolarHBondContact OD1-CE 3.16Å; D88-K220 IonicContact OD1-NZ 3.24Å; D88-K220 PolarHBondContact OD1-NZ 3.3Å; D88-K220 WeakPolarHBondContact OD2-CE 3.26Å; D88-K220 IonicContact OD2-NZ 2.76Å; D88-K220 PolarHBondContact OD2-NZ 3.27Å; K217-K220 VanDerWaalsContact O-CB 3.27Å; K217-K220 WeakPolarHBondContact O-CB 3.28Å; K217-K220 PolarHBondContact O-N 3.31Å; D218-K220 PolarHBondContact O-N 3.49Å; D218-K220 VanDerWaalsContact O-N 3.12Å; K220-V222 VanDerWaalsContact C-N 3.32Å; K220-V222 PolarHBondContact O-N 2.83Å
221	E	53	Low	61.9	Low	62 Å²	62	81.4 Å²	81.4	29%	0.29	40%	0.402	S	S	.	.			trans	-92.5	26.1	-168.6	-69.4	179.8	167.8	0	0	113.9	K217 A223 L229	K217-E221 WeakPolarHBondContact CE-OE1 3.17Å; K217-E221 HydrophobicContact CG-CG 4.47Å; K217-E221 WeakPolarHBondContact CG-OE1 3.44Å; E221-A223 PolarHBondContact O-N 3.1Å; E221-A223 VanDerWaalsContact O-N 3.15Å; E221-L229 HydrophobicContact CB-CD1 4.16Å; E221-L229 HydrophobicContact CG-CD1 4.26Å
222	V	51.8	Low	61.9	Low	135 Å²	135	83.4 Å²	83.4	82%	0.818	41%	0.411	S	S	*	.	S	Bend	trans	-82	18.3	179.1	-166.1	0	0	0	0	112	K220	K220-V222 VanDerWaalsContact C-N 3.32Å; K220-V222 PolarHBondContact O-N 2.83Å
223	A	51.7	Low	62	Low	75 Å²	75	84.2 Å²	84.2	62%	0.62	42%	0.417	S	S	*	.	S	Bend	trans	-149.6	122.6	175.6	0	0	0	0	0	111.8	E221	E221-A223 PolarHBondContact O-N 3.1Å; E221-A223 VanDerWaalsContact O-N 3.15Å
224	D	49.5	Very low	62.5	Low	125 Å²	125	86.8 Å²	86.8	67%	0.668	43%	0.431	S	S	*	.	S	Bend	trans	75.1	141.3	172.5	-56.8	-16.7	0	0	0	119.1	V226 L229	D224-V226 PolarHBondContact O-N 3.2Å; D224-L229 WeakPolarHBondContact O-CD1 3.4Å
225	D	55.6	Low	63	Low	133 Å²	133	87.2 Å²	87.2	71%	0.711	44%	0.435	S	S	*	.			trans	39.3	61.8	170.6	-74	1.6	0	0	0	120.4	Q227 R228 L229	D225-Q227 VanDerWaalsContact C-N 3.34Å; D225-Q227 PolarHBondContact O-N 2.98Å; D225-Q227 VanDerWaalsContact O-N 3.14Å; D225-R228 PolarHBondContact O-N 3.24Å; D225-L229 WeakPolarHBondContact O-CG 3.33Å; D225-L229 PolarHBondContact O-N 3.25Å
226	V	61.2	Low	63.7	Low	97 Å²	97	84.9 Å²	84.9	59%	0.588	42%	0.424	S	S	*	.	H	α-helix	trans	-40.5	-50.1	175.4	-176.5	0	0	0	0	114.7	D224 R228 L229 E230	D224-V226 PolarHBondContact O-N 3.2Å; V226-R228 PolarHBondContact O-N 2.85Å; V226-L229 PolarHBondContact O-N 3.29Å; V226-E230 HydrophobicContact CG1-CG 4.19Å; V226-E230 WeakPolarHBondContact O-CG 3.37Å; V226-E230 PolarHBondContact O-N 2.76Å
227	Q	58.6	Low	64.3	Low	145 Å²	145	82.7 Å²	82.7	68%	0.678	41%	0.414	S	S	*	.	H	α-helix	trans	-65.6	-40.5	-170.1	-172.6	174.5	-1.7	0	0	113.4	D225 L229 E231	D225-Q227 VanDerWaalsContact C-N 3.34Å; D225-Q227 PolarHBondContact O-N 2.98Å; D225-Q227 VanDerWaalsContact O-N 3.14Å; Q227-L229 VanDerWaalsContact C-N 3.3Å; Q227-E231 WeakPolarHBondContact O-CG 3.39Å; Q227-E231 PolarHBondContact O-N 2.81Å
228	R	63.7	Low	65	Low	172 Å²	172	82.6 Å²	82.6	65%	0.649	42%	0.419	S	S	*	.	H	α-helix	trans	-72.7	-27.9	177.9	-175.1	178.7	173	121.5	-0.7	111.5	D225 V226 Q232	D225-R228 PolarHBondContact O-N 3.24Å; V226-R228 PolarHBondContact O-N 2.85Å; R228-Q232 WeakPolarHBondContact O-CB 3.42Å; R228-Q232 VanDerWaalsContact O-CG 3.3Å; R228-Q232 WeakPolarHBondContact O-CG 3.33Å; R228-Q232 PolarHBondContact O-N 2.77Å; R228-Q232 VanDerWaalsContact O-N 3.16Å
229	L	65.4	Low	65.1	Low	38 Å²	38	86.1 Å²	86.1	20%	0.199	44%	0.437	C	S	.	.	H	α-helix	trans	-74.9	-41.1	176	-64.6	173.5	0	0	0	111.6	E221 D224 D225 V226 Q227 E231 Q232 S233	E221-L229 HydrophobicContact CB-CD1 4.16Å; E221-L229 HydrophobicContact CG-CD1 4.26Å; D224-L229 WeakPolarHBondContact O-CD1 3.4Å; D225-L229 WeakPolarHBondContact O-CG 3.33Å; D225-L229 PolarHBondContact O-N 3.25Å; V226-L229 PolarHBondContact O-N 3.29Å; Q227-L229 VanDerWaalsContact C-N 3.3Å; L229-E231 PolarHBondContact O-N 2.96Å; L229-Q232 CarbonylContact O-C 3.47Å; L229-Q232 PolarHBondContact O-N 3.16Å; L229-Q232 VanDerWaalsContact O-N 3.15Å; L229-S233 WeakPolarHBondContact O-CB 3.43Å; L229-S233 PolarHBondContact O-N 2.99Å
230	E	65.1	Low	65.1	Low	128 Å²	128	84 Å²	84	60%	0.598	43%	0.429	S	S	*	.	H	α-helix	trans	-57.5	-47.9	173	-75.4	177	166.5	0	0	111.1	V226 Q232 S233 L234	V226-E230 HydrophobicContact CG1-CG 4.19Å; V226-E230 WeakPolarHBondContact O-CG 3.37Å; V226-E230 PolarHBondContact O-N 2.76Å; E230-Q232 VanDerWaalsContact C-N 3.34Å; E230-Q232 PolarHBondContact O-N 2.87Å; E230-S233 PolarHBondContact O-N 3.47Å; E230-L234 VanDerWaalsContact O-CB 3.28Å; E230-L234 WeakPolarHBondContact O-CB 3.25Å; E230-L234 PolarHBondContact O-N 3.1Å
231	E	68.8	Low	64.5	Low	107 Å²	107	88.5 Å²	88.5	50%	0.5	45%	0.449	S	S	.	.	H	α-helix	trans	-58.2	-42.6	173.2	-71.1	174.3	-174.8	0	0	112.6	Q227 L229 Q235	Q227-E231 WeakPolarHBondContact O-CG 3.39Å; Q227-E231 PolarHBondContact O-N 2.81Å; L229-E231 PolarHBondContact O-N 2.96Å; E231-Q235 WeakPolarHBondContact O-CG 3.29Å; E231-Q235 PolarHBondContact O-N 3.35Å; E231-Q235 VanDerWaalsContact O-N 3.09Å
232	Q	72.8	Confident	64	Low	52 Å²	52	90.1 Å²	90.1	24%	0.243	47%	0.467	C	S	.	.	H	α-helix	trans	-72.4	-26.7	178.8	-79	-175.1	5.6	0	0	114.1	R99 R228 L229 E230 L236	R99-Q232 PolarHBondContact NH2-O 3.02Å; R228-Q232 WeakPolarHBondContact O-CB 3.42Å; R228-Q232 VanDerWaalsContact O-CG 3.3Å; R228-Q232 WeakPolarHBondContact O-CG 3.33Å; R228-Q232 PolarHBondContact O-N 2.77Å; R228-Q232 VanDerWaalsContact O-N 3.16Å; L229-Q232 CarbonylContact O-C 3.47Å; L229-Q232 PolarHBondContact O-N 3.16Å; L229-Q232 VanDerWaalsContact O-N 3.15Å; E230-Q232 VanDerWaalsContact C-N 3.34Å; E230-Q232 PolarHBondContact O-N 2.87Å; Q232-L236 WeakPolarHBondContact O-CG 3.16Å
233	S	76.3	Confident	63.2	Low	24 Å²	24	90.3 Å²	90.3	17%	0.168	46%	0.459	C	S	.	.	H	α-helix	trans	-78.6	-45.5	175.8	-159.3	0	0	0	0	110.2	L229 E230 Q235 L236 Y237	L229-S233 WeakPolarHBondContact O-CB 3.43Å; L229-S233 PolarHBondContact O-N 2.99Å; E230-S233 PolarHBondContact O-N 3.47Å; S233-Q235 VanDerWaalsContact C-N 3.32Å; S233-Q235 PolarHBondContact O-N 2.89Å; S233-L236 PolarHBondContact O-N 2.97Å; S233-Y237 PolarHBondContact O-N 3.29Å
234	L	81.3	Confident	62.1	Low	60 Å²	60	93 Å²	93	31%	0.314	47%	0.468	S	S	.	.	H	α-helix	trans	-51.8	-48.4	172	178.9	65.2	0	0	0	111.6	E230 L236 G238 D239	E230-L234 VanDerWaalsContact O-CB 3.28Å; E230-L234 WeakPolarHBondContact O-CB 3.25Å; E230-L234 PolarHBondContact O-N 3.1Å; L234-L236 PolarHBondContact O-N 3.06Å; L234-L236 VanDerWaalsContact O-N 3.17Å; L234-G238 WeakPolarHBondContact O-CA 2.95Å; L234-G238 PolarHBondContact O-N 2.84Å; L234-D239 HydrophobicContact CD1-CB 3.71Å
235	Q	82.3	Confident	61.3	Low	47 Å²	47	91.9 Å²	91.9	22%	0.22	46%	0.462	C	S	.	.	H	α-helix	trans	-59.6	-25.7	178.1	-80.1	177.1	10.1	0	0	114.8	G108 L110 E231 S233	G108-Q235 WeakPolarHBondContact O-CA 3.49Å; L110-Q235 WeakPolarHBondContact CB-O 3.47Å; L110-Q235 HydrophobicContact CD1-CB 4.07Å; L110-Q235 HydrophobicContact CD1-CG 4.14Å; L110-Q235 HydrophobicContact CG-CB 4.16Å; L110-Q235 HydrophobicContact CG-CG 4.21Å; L110-Q235 PolarHBondContact N-O 3.32Å; E231-Q235 WeakPolarHBondContact O-CG 3.29Å; E231-Q235 PolarHBondContact O-N 3.35Å; E231-Q235 VanDerWaalsContact O-N 3.09Å; S233-Q235 VanDerWaalsContact C-N 3.32Å; S233-Q235 PolarHBondContact O-N 2.89Å
236	L	81.6	Confident	60.3	Low	0 Å²	0	91.3 Å²	91.3	0%	0	47%	0.469	C	S	.	.	H	α-helix	trans	-103.2	-38.3	-175.6	-63.9	175.1	0	0	0	112.7	E95 F98 Q109 Y169 Q232 S233 L234	E95-L236 HydrophobicContact CB-CD1 4.43Å; E95-L236 HydrophobicContact CG-CD1 3.65Å; E95-L236 WeakPolarHBondContact OE1-CD1 3.44Å; E95-L236 WeakPolarHBondContact OE2-CD1 3.36Å; F98-L236 HydrophobicContact CD1-CD2 3.72Å; F98-L236 HydrophobicContact CE1-CD2 4.13Å; Q109-L236 PolarHBondContact NE2-O 3.43Å; Y169-L236 HydrophobicContact CD1-CB 4.09Å; Y169-L236 HydrophobicContact CD1-CD1 4.19Å; Y169-L236 HydrophobicContact CD1-CD2 4.17Å; Y169-L236 HydrophobicContact CD1-CG 4.39Å; Y169-L236 HydrophobicContact CD2-CD2 4.09Å; Y169-L236 HydrophobicContact CE1-CD1 4.28Å; Y169-L236 HydrophobicContact CG-CB 4.33Å; Y169-L236 HydrophobicContact CG-CD2 3.81Å; Y169-L236 HydrophobicContact CG-CG 4.47Å; Q232-L236 WeakPolarHBondContact O-CG 3.16Å; S233-L236 PolarHBondContact O-N 2.97Å; L234-L236 PolarHBondContact O-N 3.06Å; L234-L236 VanDerWaalsContact O-N 3.17Å
237	Y	80.8	Confident	59	Low	19 Å²	19	91.2 Å²	91.2	8%	0.075	47%	0.468	C	S	.	.	H	α-helix	trans	-119.5	-9.2	-169	-55.5	-75	0	0	0	114.2	Q109 Y169 T170 E210 F213 R214 K217 S233	Q109-Y237 VanDerWaalsContact NE2-C 3.29Å; Y169-Y237 HydrophobicContact CD1-CE1 4.11Å; Y169-Y237 AromaticContact CD1-CZ 3.92Å; Y169-Y237 WeakPolarHBondContact CE1-OH 3.49Å; T170-Y237 HydrophobicContact CG2-CD1 3.91Å; T170-Y237 HydrophobicContact CG2-CE1 3.58Å; E210-Y237 HydrophobicContact CG-CD1 4.29Å; F213-Y237 HydrophobicContact CB-CE1 4.34Å; R214-Y237 HydrophobicContact CB-CD1 4.29Å; R214-Y237 HydrophobicContact CB-CE1 4.33Å; R214-Y237 HydrophobicContact CG-CG 4.37Å; K217-Y237 HydrophobicContact CD-CE2 3.84Å; S233-Y237 PolarHBondContact O-N 3.29Å
238	G	77	Confident	57.6	Low	16 Å²	16	95.3 Å²	95.3	17%	0.165	48%	0.477	C	S	.	.			trans	79.4	175.5	-176.5	0	0	0	0	0	113.7	L234 R240	L234-G238 WeakPolarHBondContact O-CA 2.95Å; L234-G238 PolarHBondContact O-N 2.84Å; G238-R240 PolarHBondContact O-N 3.41Å
239	D	62.5	Low	55.9	Low	137 Å²	137	96.6 Å²	96.6	73%	0.733	49%	0.487	S	S	*	.			trans	-81.8	109	-179.8	-169.8	5.7	0	0	0	110.5	L234	L234-D239 HydrophobicContact CD1-CB 3.71Å
240	R	55.6	Low	54.3	Low	92 Å²	92	104.3 Å²	104.3	35%	0.347	52%	0.519	S	S	.	.			trans	-137.4	109.7	174.1	-165.7	171.6	175.6	-150.2	-8.3	109	E211 G238 S242	E211-R240 IonicContact OE2-NH1 3.39Å; G238-R240 PolarHBondContact O-N 3.41Å; R240-S242 PolarHBondContact O-N 2.91Å
241	K	41.3	Very low	52.6	Low	194 Å²	194	105.3 Å²	105.3	84%	0.843	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-50.2	127.3	-177.1	-67	178.1	-177.8	172	0	111.1	Q243	K241-Q243 PolarHBondContact O-N 3.35Å
242	S	40.8	Very low	50.9	Low	97 Å²	97	104.3 Å²	104.3	68%	0.678	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-69.6	125.2	-173.2	46.8	0	0	0	0	112.4	R240	R240-S242 PolarHBondContact O-N 2.91Å
243	Q	34.7	Very low	48.9	Very low	139 Å²	139	110.7 Å²	110.7	65%	0.65	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-89.6	116.1	163.3	-121.2	-174.4	19.4	0	0	108.9	K241 N245	K241-Q243 PolarHBondContact O-N 3.35Å; Q243-N245 VanDerWaalsContact C-N 3.31Å; Q243-N245 PolarHBondContact O-N 2.86Å
244	T	29.3	Very low	47	Very low	131 Å²	131	119.2 Å²	119.2	80%	0.804	61%	0.606	S	S	*	*			trans	-80.9	66.5	-172.8	43.5	0	0	0	0	113.1	S246	T244-S246 PolarHBondContact O-N 2.96Å
245	N	33.2	Very low	44.5	Very low	102 Å²	102	120 Å²	120	55%	0.545	62%	0.621	S	S	.	*			trans	-82.8	100.2	176.4	-79.1	-20.1	0	0	0	112.4	Q243 V247	Q243-N245 VanDerWaalsContact C-N 3.31Å; Q243-N245 PolarHBondContact O-N 2.86Å; N245-V247 PolarHBondContact O-N 2.8Å; N245-V247 VanDerWaalsContact O-N 3.13Å
246	S	33.5	Very low	42.2	Very low	121 Å²	121	122.3 Å²	122.3	85%	0.846	65%	0.648	S	S	*	*			trans	-64.1	103.8	172.6	179.9	0	0	0	0	111.6	T244	T244-S246 PolarHBondContact O-N 2.96Å
247	V	33.9	Very low	40.3	Very low	95 Å²	95	126.7 Å²	126.7	58%	0.576	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-102.2	118.8	172.9	-175.7	0	0	0	0	109.8	N245	N245-V247 PolarHBondContact O-N 2.8Å; N245-V247 VanDerWaalsContact O-N 3.13Å
248	R	29.3	Very low	38.9	Very low	230 Å²	230	128.5 Å²	128.5	87%	0.868	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-61.3	138.3	177.6	-77.3	178.1	163.9	177	-5.3	111.7
249	K	29.7	Very low	38	Very low	199 Å²	199	129.4 Å²	129.4	87%	0.865	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-51.7	138.9	166.4	-81	-175.9	171.2	-176.5	0	110.8
250	K	30.5	Very low	38.2	Very low	200 Å²	200	123.3 Å²	123.3	87%	0.87	67%	0.666	S	S	*	*			trans	-131.2	122.6	156	-168.5	174.7	-175.7	179.8	0	107.1	A252	K250-A252 PolarHBondContact O-N 3.36Å
251	D	29.9	Very low	38.7	Very low	149 Å²	149	120.3 Å²	120.3	80%	0.797	65%	0.654	S	S	*	*			trans	-68	128.6	-170.8	-52.4	-59.6	0	0	0	110.8
252	A	32.7	Very low	40.1	Very low	86 Å²	86	113.7 Å²	113.7	71%	0.711	63%	0.628	S	S	*	*			trans	-113.3	115.7	173.6	0	0	0	0	0	108.1	K250	K250-A252 PolarHBondContact O-N 3.36Å
253	Q	29.9	Very low	41.4	Very low	187 Å²	187	110.2 Å²	110.2	87%	0.874	60%	0.602	S	S	*	*			trans	-71.4	155.9	179.1	-74.1	169.3	-31.4	0	0	111.9	A255	Q253-A255 PolarHBondContact O-N 3.32Å
254	H	36.9	Very low	42.8	Very low	203 Å²	203	103.7 Å²	103.7	94%	0.94	57%	0.572	S	S	*	*			trans	-51.5	125.9	-175.1	-59.5	-85.3	0	0	0	113.5
255	A	29.5	Very low	44.7	Very low	77 Å²	77	103.3 Å²	103.3	64%	0.636	56%	0.556	S	S	*	*			trans	-140.2	157.9	157.9	0	0	0	0	0	107.1	Q253	Q253-A255 PolarHBondContact O-N 3.32Å
256	A	33	Very low	46.3	Very low	94 Å²	94	105 Å²	105	78%	0.777	56%	0.555	S	S	*	*	S	Bend	trans	-47.6	151.8	-168.9	0	0	0	0	0	115.1	P258	A256-P258 VanDerWaalsContact O-CD 3.26Å; A256-P258 WeakPolarHBondContact O-CD 3.32Å
257	T	41.4	Very low	47.5	Very low	93 Å²	93	99.8 Å²	99.8	57%	0.571	52%	0.52	S	S	*	.			trans	-44.4	108	-175.5	-25	0	0	0	0	111.1	D86 G259	D86-T257 HydrophobicContact CB-CG2 4.26Å; T257-G259 PolarHBondContact O-N 2.7Å
258	P	51.8	Low	48.8	Very low	56 Å²	56	96.7 Å²	96.7	36%	0.364	50%	0.501	S	S	.	.			trans	-70.5	124.5	-170.9	-20.8	32.9	0	0	0	111.4	A256 D262	A256-P258 VanDerWaalsContact O-CD 3.26Å; A256-P258 WeakPolarHBondContact O-CD 3.32Å; P258-D262 HydrophobicContact CB-CB 3.96Å
259	G	58.7	Low	50.2	Low	36 Å²	36	90.5 Å²	90.5	37%	0.371	49%	0.493	S	S	.	.			trans	-60.8	159.7	172.8	0	0	0	0	0	111.6	T257 W261 D262 V263	T257-G259 PolarHBondContact O-N 2.7Å; G259-W261 PolarHBondContact O-N 3.35Å; G259-W261 VanDerWaalsContact O-N 3.09Å; G259-D262 WeakPolarHBondContact O-CA 3.43Å; G259-D262 WeakPolarHBondContact O-CB 3.42Å; G259-D262 PolarHBondContact O-N 3.36Å; G259-V263 PolarHBondContact O-N 2.85Å; G259-V263 VanDerWaalsContact O-N 3.14Å
260	M	66.1	Low	51.5	Low	9 Å²	9	86.4 Å²	86.4	4%	0.044	48%	0.477	C	S	.	.	H	α-helix	trans	-58.6	-29.9	-175.6	-171	141.1	54.8	0	0	113.6	M91 L173 C177 F213 D262 V263 L264	M91-M260 HydrophobicContact CE-SD 3.87Å; L173-M260 HydrophobicContact CB-CE 4.02Å; L173-M260 HydrophobicContact CB-SD 3.99Å; L173-M260 HydrophobicContact CD1-SD 4.03Å; L173-M260 HydrophobicContact CD2-CE 3.84Å; L173-M260 HydrophobicContact CD2-SD 4Å; L173-M260 HydrophobicContact CG-CE 4.42Å; L173-M260 HydrophobicContact CG-SD 4.23Å; C177-M260 WeakPolarHBondContact SG-CE 3.48Å; C177-M260 WeakPolarHBondContact SG-CG 3.42Å; F213-M260 HydrophobicContact CE1-CG 3.86Å; F213-M260 HydrophobicContact CE1-SD 3.78Å; F213-M260 HydrophobicContact CZ-CG 3.8Å; F213-M260 HydrophobicContact CZ-SD 3.86Å; M260-D262 VanDerWaalsContact C-N 3.33Å; M260-D262 PolarHBondContact O-N 2.93Å; M260-V263 WeakPolarHBondContact O-CB 3.41Å; M260-V263 PolarHBondContact O-N 3.17Å; M260-L264 WeakPolarHBondContact O-CG 3.38Å; M260-L264 PolarHBondContact O-N 3.09Å
261	W	66.9	Low	52.8	Low	29 Å²	29	77.5 Å²	77.5	11%	0.11	44%	0.439	C	S	.	.	H	α-helix	trans	-65.8	-28.7	171	-74.6	108.4	0	0	0	114.4	C177 K181 A189 G259 L264 R265	C177-W261 HydrophobicContact CB-CD2 4.43Å; C177-W261 HydrophobicContact CB-CH2 4.42Å; C177-W261 HydrophobicContact CB-CZ2 3.57Å; C177-W261 WeakPolarHBondContact O-CZ2 3.49Å; C177-W261 PolarHBondContact O-NE1 2.71Å; K181-W261 HydrophobicContact CD-CD2 4.32Å; K181-W261 HydrophobicContact CD-CG 4.45Å; K181-W261 HydrophobicContact CD-CZ2 4.11Å; K181-W261 VanDerWaalsContact NZ-CG 3.33Å; A189-W261 HydrophobicContact CB-CE3 4.47Å; A189-W261 HydrophobicContact CB-CH2 3.62Å; A189-W261 HydrophobicContact CB-CZ2 4.37Å; A189-W261 HydrophobicContact CB-CZ3 3.67Å; G259-W261 PolarHBondContact O-N 3.35Å; G259-W261 VanDerWaalsContact O-N 3.09Å; W261-L264 HydrophobicContact CE3-CD1 3.92Å; W261-L264 HydrophobicContact CZ3-CD1 4.02Å; W261-R265 WeakPolarHBondContact O-CB 3.09Å; W261-R265 PolarHBondContact O-N 2.9Å
262	D	70.1	Confident	53.9	Low	54 Å²	54	76.2 Å²	76.2	29%	0.289	43%	0.432	S	S	.	.	H	α-helix	trans	-80.1	-30.9	174.7	-66.8	-33.2	0	0	0	112.1	P258 G259 M260 L264 R265 R266	P258-D262 HydrophobicContact CB-CB 3.96Å; G259-D262 WeakPolarHBondContact O-CA 3.43Å; G259-D262 WeakPolarHBondContact O-CB 3.42Å; G259-D262 PolarHBondContact O-N 3.36Å; M260-D262 VanDerWaalsContact C-N 3.33Å; M260-D262 PolarHBondContact O-N 2.93Å; D262-L264 VanDerWaalsContact C-N 3.34Å; D262-R265 IonicContact OD1-CZ 3.9Å; D262-R265 IonicContact OD1-NE 3.11Å; D262-R265 PolarHBondContact OD1-NE 3.16Å; D262-R265 IonicContact OD1-NH2 3.62Å; D262-R265 PolarHBondContact OD1-NH2 3.19Å; D262-R266 VanDerWaalsContact O-CB 3.31Å; D262-R266 WeakPolarHBondContact O-CB 3.49Å; D262-R266 VanDerWaalsContact O-CG 3.24Å; D262-R266 WeakPolarHBondContact O-CG 3.21Å; D262-R266 PolarHBondContact O-N 3.39Å
263	V	68.3	Low	54.9	Low	24 Å²	24	75.5 Å²	75.5	15%	0.145	41%	0.413	C	S	.	.	H	α-helix	trans	-59.5	-48.2	166.8	177.9	0	0	0	0	109.7	F213 K216 G259 M260 R266 G267	F213-V263 HydrophobicContact CE1-CG1 4.34Å; K216-V263 HydrophobicContact CD-CG1 3.72Å; G259-V263 PolarHBondContact O-N 2.85Å; G259-V263 VanDerWaalsContact O-N 3.14Å; M260-V263 WeakPolarHBondContact O-CB 3.41Å; M260-V263 PolarHBondContact O-N 3.17Å; V263-R266 PolarHBondContact O-N 3.22Å; V263-G267 PolarHBondContact O-N 2.96Å
264	L	65	Low	55.9	Low	3 Å²	3	70.3 Å²	70.3	2%	0.016	40%	0.397	C	S	.	.	H	α-helix	trans	-61	-50.9	175.9	-71	-180	0	0	0	112	L209 I212 F213 M260 W261 D262 R266 G267 T268	L209-L264 HydrophobicContact CD2-CD1 3.85Å; L209-L264 HydrophobicContact CD2-CD2 3.45Å; L209-L264 VanDerWaalsContact CD2-CD2 3.45Å; L209-L264 HydrophobicContact CD2-CG 4.23Å; I212-L264 HydrophobicContact CD1-CD2 4.36Å; I212-L264 HydrophobicContact CG2-CD2 4.26Å; F213-L264 HydrophobicContact CD2-CD2 4.4Å; F213-L264 HydrophobicContact CE1-CD2 4.11Å; F213-L264 HydrophobicContact CE2-CD2 3.6Å; F213-L264 HydrophobicContact CE2-CG 4.43Å; F213-L264 HydrophobicContact CZ-CD1 4.25Å; F213-L264 HydrophobicContact CZ-CD2 3.43Å; F213-L264 VanDerWaalsContact CZ-CD2 3.43Å; F213-L264 HydrophobicContact CZ-CG 3.88Å; M260-L264 WeakPolarHBondContact O-CG 3.38Å; M260-L264 PolarHBondContact O-N 3.09Å; W261-L264 HydrophobicContact CE3-CD1 3.92Å; W261-L264 HydrophobicContact CZ3-CD1 4.02Å; D262-L264 VanDerWaalsContact C-N 3.34Å; L264-R266 VanDerWaalsContact C-N 3.32Å; L264-R266 PolarHBondContact O-N 2.97Å; L264-G267 WeakPolarHBondContact O-CA 3.32Å; L264-G267 PolarHBondContact O-N 2.95Å; L264-T268 PolarHBondContact O-N 3.09Å; L264-T268 PolarHBondContact O-OG1 3.42Å
265	R	68.7	Low	56.7	Low	123 Å²	123	63.4 Å²	63.4	46%	0.464	37%	0.367	S	S	.	.	H	α-helix	trans	-56.7	-41.7	178.6	-167.6	-169.5	-33.4	-156.2	10.6	113.1	M192 W261 D262 T268 S269	M192-R265 HydrophobicContact CE-CB 4.03Å; M192-R265 HydrophobicContact CE-CG 3.75Å; M192-R265 HydrophobicContact SD-CB 4.08Å; M192-R265 HydrophobicContact SD-CG 4.28Å; W261-R265 WeakPolarHBondContact O-CB 3.09Å; W261-R265 PolarHBondContact O-N 2.9Å; D262-R265 IonicContact OD1-CZ 3.9Å; D262-R265 IonicContact OD1-NE 3.11Å; D262-R265 PolarHBondContact OD1-NE 3.16Å; D262-R265 IonicContact OD1-NH2 3.62Å; D262-R265 PolarHBondContact OD1-NH2 3.19Å; R265-T268 PolarHBondContact O-OG1 2.99Å; R265-S269 PolarHBondContact O-N 3.23Å; R265-S269 PolarHBondContact O-OG 3.42Å
266	R	67	Low	57.8	Low	137 Å²	137	60.3 Å²	60.3	52%	0.517	34%	0.34	S	S	.	.	H	α-helix	trans	-75.3	-27.5	177.8	-70.6	177	-173.5	-132.4	7.3	112.2	D262 V263 L264 Q270	D262-R266 VanDerWaalsContact O-CB 3.31Å; D262-R266 WeakPolarHBondContact O-CB 3.49Å; D262-R266 VanDerWaalsContact O-CG 3.24Å; D262-R266 WeakPolarHBondContact O-CG 3.21Å; D262-R266 PolarHBondContact O-N 3.39Å; V263-R266 PolarHBondContact O-N 3.22Å; L264-R266 VanDerWaalsContact C-N 3.32Å; L264-R266 PolarHBondContact O-N 2.97Å; R266-Q270 WeakPolarHBondContact O-CG 3.1Å; R266-Q270 PolarHBondContact O-NE2 3.47Å
267	G	59.1	Low	58.5	Low	11 Å²	11	60.6 Å²	60.6	11%	0.113	33%	0.332	C	S	.	.	H	α-helix	trans	-74.5	-49.4	177.5	0	0	0	0	0	112.9	V263 L264 S269 Q270 V271	V263-G267 PolarHBondContact O-N 2.96Å; L264-G267 WeakPolarHBondContact O-CA 3.32Å; L264-G267 PolarHBondContact O-N 2.95Å; G267-S269 PolarHBondContact O-N 2.95Å; G267-Q270 WeakPolarHBondContact O-CA 3.24Å; G267-Q270 PolarHBondContact O-N 3.33Å; G267-V271 PolarHBondContact O-N 3.46Å
268	T	61.1	Low	59	Low	30 Å²	30	63 Å²	63	18%	0.184	34%	0.337	C	S	.	.	H	α-helix	trans	-60.5	-34	176.3	51.9	0	0	0	0	111.4	V208 I212 L264 R265 Q270	V208-T268 HydrophobicContact CG1-CG2 4.32Å; I212-T268 HydrophobicContact CD1-CG2 3.51Å; I212-T268 VanDerWaalsContact CD1-N 3.3Å; L264-T268 PolarHBondContact O-N 3.09Å; L264-T268 PolarHBondContact O-OG1 3.42Å; R265-T268 PolarHBondContact O-OG1 2.99Å; T268-Q270 PolarHBondContact O-N 3.01Å
269	S	58.8	Low	59	Low	100 Å²	100	64 Å²	64	70%	0.699	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-11.7	172.2	-55.1	0	0	0	0	115.1	R265 G267	R265-S269 PolarHBondContact O-N 3.23Å; R265-S269 PolarHBondContact O-OG 3.42Å; G267-S269 PolarHBondContact O-N 2.95Å
270	Q	56.9	Low	59	Low	114 Å²	114	63.4 Å²	63.4	53%	0.533	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-26	-175.5	-80.8	177.3	65.3	0	0	114.1	R266 G267 T268 L272	R266-Q270 WeakPolarHBondContact O-CG 3.1Å; R266-Q270 PolarHBondContact O-NE2 3.47Å; G267-Q270 WeakPolarHBondContact O-CA 3.24Å; G267-Q270 PolarHBondContact O-N 3.33Å; T268-Q270 PolarHBondContact O-N 3.01Å; Q270-L272 PolarHBondContact O-N 2.9Å
271	V	57.7	Low	58.5	Low	12 Å²	12	70.6 Å²	70.6	7%	0.073	37%	0.365	C	S	.	.	S	Bend	trans	-82.5	115	176.7	175.6	0	0	0	0	108.3	V208 E211 I212 K215 G267 F273	V208-V271 HydrophobicContact CG1-CB 4.43Å; V208-V271 HydrophobicContact CG1-CG1 4.32Å; E211-V271 HydrophobicContact CG-CG1 4.12Å; I212-V271 HydrophobicContact CG1-CG2 3.85Å; K215-V271 HydrophobicContact CD-CG2 4.29Å; G267-V271 PolarHBondContact O-N 3.46Å; V271-F273 PolarHBondContact O-N 2.87Å
272	L	52.1	Low	58.3	Low	122 Å²	122	75.7 Å²	75.7	64%	0.639	39%	0.39	S	S	*	.			trans	-69	122.1	168.2	-87.6	157.2	0	0	0	108.7	Q270 S274 D275	Q270-L272 PolarHBondContact O-N 2.9Å; L272-S274 PolarHBondContact O-N 3.35Å; L272-D275 WeakPolarHBondContact O-CB 3.32Å; L272-D275 PolarHBondContact O-N 3.41Å
273	F	53.9	Low	58.3	Low	72 Å²	72	75.3 Å²	75.3	32%	0.316	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-61	-17.6	179.8	-75.1	-108.7	0	0	0	112.9	A195 E205 V208 V271 D275 L276	A195-F273 HydrophobicContact CB-CD1 4.06Å; A195-F273 HydrophobicContact CB-CD2 4.42Å; A195-F273 HydrophobicContact CB-CE1 3.34Å; A195-F273 HydrophobicContact CB-CE2 3.8Å; A195-F273 HydrophobicContact CB-CZ 3.22Å; E205-F273 HydrophobicContact CG-CE1 4.16Å; V208-F273 HydrophobicContact CG1-CZ 4.32Å; V208-F273 HydrophobicContact CG2-CD1 3.86Å; V208-F273 HydrophobicContact CG2-CE1 3.29Å; V208-F273 HydrophobicContact CG2-CZ 3.78Å; V271-F273 PolarHBondContact O-N 2.87Å; F273-D275 VanDerWaalsContact C-N 3.29Å; F273-D275 PolarHBondContact O-N 3.03Å; F273-L276 HydrophobicContact CB-CD1 4.48Å; F273-L276 HydrophobicContact CD1-CD1 4.09Å; F273-L276 HydrophobicContact CG-CD1 4.41Å; F273-L276 WeakPolarHBondContact O-CB 3.26Å; F273-L276 PolarHBondContact O-N 2.89Å
274	S	51.3	Low	59	Low	77 Å²	77	74.8 Å²	74.8	54%	0.538	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-64.3	-25.2	170.4	55.4	0	0	0	0	114.3	L272 L276 T277	L272-S274 PolarHBondContact O-N 3.35Å; S274-L276 PolarHBondContact O-N 3.24Å; S274-T277 PolarHBondContact O-OG1 3.32Å
275	D	53.1	Low	60.2	Low	58 Å²	58	76.5 Å²	76.5	31%	0.31	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-69.4	-14.1	176	-70.8	9.5	0	0	0	112.2	K215 L272 F273	K215-D275 IonicContact NZ-OD2 3.61Å; K215-D275 PolarHBondContact NZ-OD2 3.36Å; L272-D275 WeakPolarHBondContact O-CB 3.32Å; L272-D275 PolarHBondContact O-N 3.41Å; F273-D275 VanDerWaalsContact C-N 3.29Å; F273-D275 PolarHBondContact O-N 3.03Å
276	L	53.3	Low	61.4	Low	12 Å²	12	70.6 Å²	70.6	6%	0.063	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-93	-13.7	-170.3	-58.4	170.4	0	0	0	113.2	V208 E211 F273 S274 E278 V280	V208-L276 HydrophobicContact CB-CD1 4.3Å; V208-L276 HydrophobicContact CG2-CD1 3.45Å; V208-L276 VanDerWaalsContact CG2-CD1 3.45Å; E211-L276 HydrophobicContact CB-CD2 3.93Å; E211-L276 HydrophobicContact CG-CD2 4.01Å; F273-L276 HydrophobicContact CB-CD1 4.48Å; F273-L276 HydrophobicContact CD1-CD1 4.09Å; F273-L276 HydrophobicContact CG-CD1 4.41Å; F273-L276 WeakPolarHBondContact O-CB 3.26Å; F273-L276 PolarHBondContact O-N 2.89Å; S274-L276 PolarHBondContact O-N 3.24Å; L276-E278 VanDerWaalsContact C-N 3.33Å; L276-E278 PolarHBondContact O-N 3.07Å; L276-V280 VanDerWaalsContact O-CG2 3.31Å; L276-V280 WeakPolarHBondContact O-CG2 3.5Å
277	T	47.4	Very low	62.8	Low	101 Å²	101	64.3 Å²	64.3	62%	0.62	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-17.2	-166.3	48.2	0	0	0	0	115.4	S274	S274-T277 PolarHBondContact O-OG1 3.32Å
278	E	51.2	Low	64.5	Low	144 Å²	144	63.8 Å²	63.8	67%	0.673	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-12.6	-167.3	-61.7	-168.5	151.5	0	0	115.8	L276	L276-E278 VanDerWaalsContact C-N 3.33Å; L276-E278 PolarHBondContact O-N 3.07Å
279	H	53.1	Low	66	Low	75 Å²	75	62.5 Å²	62.5	35%	0.347	33%	0.331	S	S	.	.	S	Bend	trans	-137.6	18.8	-170.9	-65.5	-80.2	0	0	0	116.6	D281 E282	H279-D281 VanDerWaalsContact C-N 3.33Å; H279-D281 PolarHBondContact O-N 2.82Å; H279-E282 IonicContact CE1-OE2 3.1Å; H279-E282 IonicContact CG-OE2 2.9Å; H279-E282 IonicContact ND1-OE2 3.52Å; H279-E282 PolarHBondContact ND1-OE2 3.11Å
280	V	57.8	Low	67.8	Low	24 Å²	24	58.1 Å²	58.1	15%	0.145	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-30	-176	176.8	0	0	0	0	112.9	K203 R204 L207 L276	K203-V280 HydrophobicContact CD-CG1 4.5Å; R204-V280 HydrophobicContact CG-CG1 4.19Å; R204-V280 HydrophobicContact CG-CG2 3.95Å; L207-V280 HydrophobicContact CD1-CG1 4.08Å; L276-V280 VanDerWaalsContact O-CG2 3.31Å; L276-V280 WeakPolarHBondContact O-CG2 3.5Å
281	D	55.5	Low	69.6	Low	161 Å²	161	53 Å²	53	86%	0.861	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-17.3	-176.7	-85.3	-11.1	0	0	0	114.3	H279	H279-D281 VanDerWaalsContact C-N 3.33Å; H279-D281 PolarHBondContact O-N 2.82Å
282	E	62.5	Low	71.4	Confident	136 Å²	136	52.6 Å²	52.6	64%	0.636	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-22.4	179.9	-66.6	-175.5	131.5	0	0	112.7	K137 H279	K137-E282 PolarHBondContact NZ-O 2.86Å; H279-E282 IonicContact CE1-OE2 3.1Å; H279-E282 IonicContact CG-OE2 2.9Å; H279-E282 IonicContact ND1-OE2 3.52Å; H279-E282 PolarHBondContact ND1-OE2 3.11Å
283	K	71.2	Confident	73.4	Confident	45 Å²	45	46.8 Å²	46.8	20%	0.196	24%	0.243	C	C	.	.	S	Bend	trans	-66.9	139.4	-171	-172.6	177.1	173.1	173.7	0	112.8	L207 E210 E285	L207-K283 HydrophobicContact CD2-CD 3.67Å; E210-K283 VanDerWaalsContact OE1-CE 3.27Å; E210-K283 WeakPolarHBondContact OE1-CE 3.33Å; E210-K283 IonicContact OE1-NZ 2.68Å; E210-K283 PolarHBondContact OE1-NZ 3.29Å; E210-K283 IonicContact OE2-NZ 2.65Å; E210-K283 PolarHBondContact OE2-NZ 3.39Å; K283-E285 PolarHBondContact O-N 2.71Å
284	T	82.2	Confident	75.3	Confident	13 Å²	13	44.6 Å²	44.6	8%	0.08	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-58.8	127	170.6	-55.4	0	0	0	0	111.7	Y111 L140	Y111-T284 WeakPolarHBondContact OH-CB 3.5Å; Y111-T284 WeakPolarHBondContact OH-CG2 3.38Å; L140-T284 HydrophobicContact CD2-CG2 3.31Å
285	E	89.7	Confident	77.1	Confident	39 Å²	39	47.2 Å²	47.2	18%	0.182	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-69.5	156.3	176.4	-67.6	-67.1	176.9	0	0	111.6	L144 K203 K283 L289 V290	L144-E285 HydrophobicContact CD1-CB 3.89Å; L144-E285 VanDerWaalsContact CD1-O 3.25Å; L144-E285 WeakPolarHBondContact CD1-O 3.44Å; K203-E285 VanDerWaalsContact NZ-CD 3.34Å; K203-E285 IonicContact NZ-OE1 3.96Å; K203-E285 PolarHBondContact NZ-OE1 3.02Å; K203-E285 IonicContact NZ-OE2 2.8Å; K203-E285 PolarHBondContact NZ-OE2 3.48Å; K283-E285 PolarHBondContact O-N 2.71Å; E285-L289 WeakPolarHBondContact OE2-CB 3.44Å; E285-V290 HydrophobicContact CB-CG2 4.16Å
286	T	94.1	Very high	78.6	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.265	C	S	.	.			trans	-137.3	173.6	-177.3	63.3	0	0	0	0	110.8	Y111 E171 L288 L289 V290	Y111-T286 HydrophobicContact CE1-CG2 4.16Å; E171-T286 VanDerWaalsContact CD-OG1 3.3Å; E171-T286 VanDerWaalsContact OE1-CB 3.29Å; E171-T286 WeakPolarHBondContact OE1-CB 3.05Å; E171-T286 PolarHBondContact OE1-OG1 3.24Å; E171-T286 VanDerWaalsContact OE2-CB 3.24Å; E171-T286 WeakPolarHBondContact OE2-CB 3.3Å; E171-T286 WeakPolarHBondContact OE2-CG2 3.33Å; E171-T286 PolarHBondContact OE2-OG1 3.39Å; T286-L288 PolarHBondContact O-N 3.34Å; T286-L289 HydrophobicContact CG2-CD1 4.28Å; T286-L289 WeakPolarHBondContact OG1-CB 3.42Å; T286-L289 WeakPolarHBondContact OG1-CD1 3.32Å; T286-L289 WeakPolarHBondContact OG1-CG 3.48Å; T286-L289 PolarHBondContact OG1-N 3.34Å; T286-V290 WeakPolarHBondContact O-CB 3.5Å; T286-V290 WeakPolarHBondContact O-CG2 3.42Å; T286-V290 PolarHBondContact O-N 3.5Å
287	T	95.9	Very high	80.3	Confident	4 Å²	4	53.5 Å²	53.5	3%	0.025	27%	0.272	C	S	.	.	H	α-helix	trans	-63.2	-43.8	180	-45.7	0	0	0	0	111.7	T147 L161 G165 A166 H291	T147-T287 HydrophobicContact CG2-CG2 4.01Å; L161-T287 HydrophobicContact CD1-CG2 3.71Å; G165-T287 VanDerWaalsContact CA-OG1 3.3Å; G165-T287 WeakPolarHBondContact CA-OG1 3.4Å; A166-T287 PolarHBondContact N-OG1 3.02Å; A166-T287 WeakPolarHBondContact O-CB 3.36Å; A166-T287 PolarHBondContact O-N 2.68Å; A166-T287 PolarHBondContact O-OG1 3.42Å; T287-H291 WeakPolarHBondContact O-CB 3.45Å; T287-H291 PolarHBondContact O-N 2.71Å
288	L	95	Very high	82.3	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-73.9	-40.1	-177.8	-55.6	-176.9	0	0	0	111.6	F158 E171 F174 L175 F206 T286 V290 H291 F292 F309	F158-L288 HydrophobicContact CZ-CD2 4.35Å; E171-L288 HydrophobicContact CB-CD1 3.89Å; E171-L288 HydrophobicContact CG-CD1 4.01Å; E171-L288 WeakPolarHBondContact OE1-CB 3.28Å; F174-L288 HydrophobicContact CD1-CD1 4.09Å; F174-L288 HydrophobicContact CE1-CD1 4.37Å; L175-L288 HydrophobicContact CD1-CD1 4.21Å; L175-L288 HydrophobicContact CD2-CD1 3.93Å; L175-L288 HydrophobicContact CD2-CD2 4.38Å; L175-L288 HydrophobicContact CG-CD1 4.03Å; F206-L288 HydrophobicContact CZ-CD1 4.5Å; T286-L288 PolarHBondContact O-N 3.34Å; L288-V290 VanDerWaalsContact C-N 3.34Å; L288-V290 PolarHBondContact O-N 2.81Å; L288-H291 PolarHBondContact O-N 3.36Å; L288-F292 HydrophobicContact CB-CD2 4.23Å; L288-F292 HydrophobicContact CB-CE2 3.98Å; L288-F292 WeakPolarHBondContact O-CB 3.49Å; L288-F292 WeakPolarHBondContact O-CD2 3.48Å; L288-F292 WeakPolarHBondContact O-CG 3.22Å; L288-F292 PolarHBondContact O-N 2.82Å; L288-F309 HydrophobicContact CD2-CE2 4.04Å; L288-F309 HydrophobicContact CD2-CZ 3.72Å
289	L	94	Very high	84.3	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-58.4	-45.9	175.2	-67.2	175.3	0	0	0	111.5	K203 F206 L207 E285 T286 F293	K203-L289 HydrophobicContact CG-CD2 4.19Å; F206-L289 HydrophobicContact CD1-CD2 3.79Å; F206-L289 HydrophobicContact CE1-CD2 4.23Å; L207-L289 HydrophobicContact CD2-CD1 4.36Å; L207-L289 HydrophobicContact CD2-CD2 4.22Å; L207-L289 HydrophobicContact CG-CD2 4.42Å; E285-L289 WeakPolarHBondContact OE2-CB 3.44Å; T286-L289 HydrophobicContact CG2-CD1 4.28Å; T286-L289 WeakPolarHBondContact OG1-CB 3.42Å; T286-L289 WeakPolarHBondContact OG1-CD1 3.32Å; T286-L289 WeakPolarHBondContact OG1-CG 3.48Å; T286-L289 PolarHBondContact OG1-N 3.34Å; L289-F293 HydrophobicContact CD2-CD2 3.97Å; L289-F293 HydrophobicContact CD2-CE2 3.93Å; L289-F293 WeakPolarHBondContact O-CB 3.47Å; L289-F293 WeakPolarHBondContact O-CD2 3.46Å; L289-F293 PolarHBondContact O-N 2.87Å
290	V	95.2	Very high	86.2	Confident	9 Å²	9	54.7 Å²	54.7	6%	0.055	28%	0.276	C	S	.	.	H	α-helix	trans	-70.9	-34.3	177.1	176.2	0	0	0	0	112.2	L144 T147 E285 T286 L288 G294 K295	L144-V290 HydrophobicContact CB-CG2 4.49Å; T147-V290 HydrophobicContact CG2-CB 4.2Å; T147-V290 HydrophobicContact CG2-CG1 4Å; E285-V290 HydrophobicContact CB-CG2 4.16Å; T286-V290 WeakPolarHBondContact O-CB 3.5Å; T286-V290 WeakPolarHBondContact O-CG2 3.42Å; T286-V290 PolarHBondContact O-N 3.5Å; L288-V290 VanDerWaalsContact C-N 3.34Å; L288-V290 PolarHBondContact O-N 2.81Å; V290-G294 WeakPolarHBondContact O-CA 3.23Å; V290-G294 PolarHBondContact O-N 3.38Å; V290-G294 VanDerWaalsContact O-N 3.14Å; V290-K295 HydrophobicContact CG1-CG 3.8Å
291	H	95.9	Very high	88	Confident	5 Å²	5	53.6 Å²	53.6	2%	0.023	27%	0.27	C	S	.	.	H	α-helix	trans	-65.7	-49	177.5	-175.5	62.2	0	0	0	111.9	T147 P148 V150 T287 L288 F309	T147-H291 HydrophobicContact CG2-CB 3.99Å; P148-H291 PolarHBondContact O-ND1 2.89Å; V150-H291 WeakPolarHBondContact CB-O 3.32Å; V150-H291 PolarHBondContact N-O 3.41Å; T287-H291 WeakPolarHBondContact O-CB 3.45Å; T287-H291 PolarHBondContact O-N 2.71Å; L288-H291 PolarHBondContact O-N 3.36Å; H291-F309 AromaticContact CD2-CD2 3.91Å; H291-F309 AromaticContact NE2-CD2 3.82Å
292	F	95.1	Very high	89.9	Confident	4 Å²	4	51 Å²	51	2%	0.018	25%	0.251	C	S	.	.	H	α-helix	trans	-78.9	-51.9	-177.5	-61.6	-36.8	0	0	0	113.1	V150 F174 F206 L288 L301 F309	V150-F292 HydrophobicContact CB-CD1 4.49Å; V150-F292 HydrophobicContact CG2-CD1 4.01Å; V150-F292 HydrophobicContact CG2-CE1 4.44Å; F174-F292 HydrophobicContact CE1-CE2 4.42Å; F206-F292 HydrophobicContact CE2-CD2 4.37Å; F206-F292 HydrophobicContact CE2-CE2 4.02Å; F206-F292 HydrophobicContact CZ-CD2 4.46Å; F206-F292 HydrophobicContact CZ-CE2 4.12Å; L288-F292 HydrophobicContact CB-CD2 4.23Å; L288-F292 HydrophobicContact CB-CE2 3.98Å; L288-F292 WeakPolarHBondContact O-CB 3.49Å; L288-F292 WeakPolarHBondContact O-CD2 3.48Å; L288-F292 WeakPolarHBondContact O-CG 3.22Å; L288-F292 PolarHBondContact O-N 2.82Å; F292-L301 HydrophobicContact CB-CD1 4.46Å; F292-L301 HydrophobicContact CB-CD2 4.07Å; F292-L301 HydrophobicContact CD1-CD1 3.92Å; F292-L301 HydrophobicContact CD1-CD2 3.75Å; F292-L301 HydrophobicContact CD1-CG 4.5Å; F292-L301 HydrophobicContact CD2-CD2 4.06Å; F292-L301 HydrophobicContact CE1-CD2 4.15Å; F292-L301 HydrophobicContact CE2-CD2 4.42Å; F292-L301 HydrophobicContact CG-CD1 4.41Å; F292-L301 HydrophobicContact CG-CD2 3.71Å; F292-L301 HydrophobicContact CZ-CD2 4.47Å; F292-F309 HydrophobicContact CE1-CB 4.09Å; F292-F309 HydrophobicContact CE1-CD1 4.02Å; F292-F309 AromaticContact CE1-CD2 3.68Å; F292-F309 HydrophobicContact CE1-CD2 3.68Å; F292-F309 HydrophobicContact CE1-CE1 4.41Å; F292-F309 HydrophobicContact CE1-CE2 4.1Å; F292-F309 AromaticContact CE1-CG 3.63Å; F292-F309 HydrophobicContact CE1-CG 3.63Å; F292-F309 HydrophobicContact CE1-CZ 4.45Å; F292-F309 AromaticContact CZ-CD1 3.64Å; F292-F309 HydrophobicContact CZ-CD1 3.64Å; F292-F309 AromaticContact CZ-CD2 3.92Å; F292-F309 HydrophobicContact CZ-CD2 3.92Å; F292-F309 AromaticContact CZ-CE1 3.71Å; F292-F309 HydrophobicContact CZ-CE1 3.71Å; F292-F309 AromaticContact CZ-CE2 3.98Å; F292-F309 HydrophobicContact CZ-CE2 3.98Å; F292-F309 AromaticContact CZ-CG 3.76Å; F292-F309 HydrophobicContact CZ-CG 3.76Å; F292-F309 AromaticContact CZ-CZ 3.88Å; F292-F309 HydrophobicContact CZ-CZ 3.88Å
293	F	94.8	Very high	91.4	Very high	1 Å²	1	46.3 Å²	46.3	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-102.8	-1.7	-168.2	-45.7	-61.6	0	0	0	113.4	V201 K203 F206 L289 G297 K298 A299 L301	V201-F293 WeakPolarHBondContact O-CE1 3.4Å; K203-F293 HydrophobicContact CB-CB 4.21Å; K203-F293 HydrophobicContact CB-CD1 4.38Å; K203-F293 HydrophobicContact CB-CD2 3.9Å; K203-F293 HydrophobicContact CB-CE2 4.44Å; K203-F293 HydrophobicContact CB-CG 3.88Å; K203-F293 HydrophobicContact CG-CD2 3.92Å; K203-F293 HydrophobicContact CG-CG 4.33Å; F206-F293 HydrophobicContact CB-CE2 3.74Å; F206-F293 HydrophobicContact CB-CZ 3.55Å; F206-F293 HydrophobicContact CD1-CE2 4Å; F206-F293 HydrophobicContact CD1-CZ 4.49Å; F206-F293 HydrophobicContact CD2-CZ 4.41Å; F206-F293 AromaticContact CG-CE2 3.88Å; F206-F293 HydrophobicContact CG-CE2 3.88Å; F206-F293 AromaticContact CG-CZ 3.92Å; F206-F293 HydrophobicContact CG-CZ 3.92Å; L289-F293 HydrophobicContact CD2-CD2 3.97Å; L289-F293 HydrophobicContact CD2-CE2 3.93Å; L289-F293 WeakPolarHBondContact O-CB 3.47Å; L289-F293 WeakPolarHBondContact O-CD2 3.46Å; L289-F293 PolarHBondContact O-N 2.87Å; F293-G297 CarbonylContact O-C 3.5Å; F293-G297 WeakPolarHBondContact O-CA 3.36Å; F293-G297 PolarHBondContact O-N 3.33Å; F293-K298 PolarHBondContact O-N 3.09Å; F293-K298 VanDerWaalsContact O-N 3.15Å; F293-A299 WeakPolarHBondContact CD1-O 3.39Å; F293-A299 WeakPolarHBondContact O-CB 3.37Å; F293-A299 PolarHBondContact O-N 2.9Å; F293-L301 HydrophobicContact CE1-CB 3.97Å
294	G	92.3	Very high	92.6	Very high	25 Å²	25	49.1 Å²	49.1	26%	0.258	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	169.1	-178.9	0	0	0	0	0	113.4	V290 K296 G297	V290-G294 WeakPolarHBondContact O-CA 3.23Å; V290-G294 PolarHBondContact O-N 3.38Å; V290-G294 VanDerWaalsContact O-N 3.14Å; G294-K296 PolarHBondContact O-N 2.92Å; G294-G297 PolarHBondContact O-N 3.46Å
295	K	88.8	Confident	93.2	Very high	133 Å²	133	50.2 Å²	50.2	58%	0.578	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-3.4	-179.1	-60.5	-178	-179.9	-179.4	0	116	S145 V290	S145-K295 WeakPolarHBondContact O-CE 3.33Å; S145-K295 PolarHBondContact O-NZ 3.25Å; V290-K295 HydrophobicContact CG1-CG 3.8Å
296	K	86.6	Confident	93.5	Very high	181 Å²	181	48.4 Å²	48.4	79%	0.787	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.4	-4.2	176.7	-65.8	-174.1	178.5	-178.9	0	112.8	G294 K298	G294-K296 PolarHBondContact O-N 2.92Å; K296-K298 HydrophobicContact CB-CG 4.38Å; K296-K298 WeakPolarHBondContact O-CG 3.49Å; K296-K298 PolarHBondContact O-N 2.91Å
297	G	88	Confident	93.5	Very high	20 Å²	20	52.3 Å²	52.3	21%	0.206	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	24.7	-176.3	0	0	0	0	0	115.1	F293 G294	F293-G297 CarbonylContact O-C 3.5Å; F293-G297 WeakPolarHBondContact O-CA 3.36Å; F293-G297 PolarHBondContact O-N 3.33Å; G294-G297 PolarHBondContact O-N 3.46Å
298	K	89.5	Confident	93.6	Very high	181 Å²	181	57.3 Å²	57.3	79%	0.787	28%	0.276	S	S	*	.			trans	-117.1	-3.9	-173.8	-62.8	-164.7	-178.2	-165.9	0	114.9	F293 K296	F293-K298 PolarHBondContact O-N 3.09Å; F293-K298 VanDerWaalsContact O-N 3.15Å; K296-K298 HydrophobicContact CB-CG 4.38Å; K296-K298 WeakPolarHBondContact O-CG 3.49Å; K296-K298 PolarHBondContact O-N 2.91Å
299	A	92.8	Very high	93.6	Very high	50 Å²	50	57.7 Å²	57.7	41%	0.413	28%	0.277	S	S	.	.			trans	-79	155.5	166.1	0	0	0	0	0	109	F293	F293-A299 WeakPolarHBondContact CD1-O 3.39Å; F293-A299 WeakPolarHBondContact O-CB 3.37Å; F293-A299 PolarHBondContact O-N 2.9Å
300	E	93.4	Very high	93.7	Very high	115 Å²	115	57.6 Å²	57.6	54%	0.537	28%	0.277	S	S	.	.			trans	-118.4	143.9	-179.5	-66.2	161.4	172.9	0	0	108	M200	M200-E300 HydrophobicContact CB-CB 4.16Å; M200-E300 HydrophobicContact CE-CB 3.38Å
301	L	95.3	Very high	93.7	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	119.7	-170.9	-177.7	62.2	0	0	0	111.6	V150 M200 V201 F292 F293 D305 F306	V150-L301 HydrophobicContact CG2-CD1 3.85Å; M200-L301 CarbonylContact C-O 3.55Å; M200-L301 WeakPolarHBondContact CA-O 3.48Å; V201-L301 HydrophobicContact CB-CB 4.33Å; V201-L301 PolarHBondContact N-O 3.43Å; V201-L301 PolarHBondContact O-N 2.9Å; F292-L301 HydrophobicContact CB-CD1 4.46Å; F292-L301 HydrophobicContact CB-CD2 4.07Å; F292-L301 HydrophobicContact CD1-CD1 3.92Å; F292-L301 HydrophobicContact CD1-CD2 3.75Å; F292-L301 HydrophobicContact CD1-CG 4.5Å; F292-L301 HydrophobicContact CD2-CD2 4.06Å; F292-L301 HydrophobicContact CE1-CD2 4.15Å; F292-L301 HydrophobicContact CE2-CD2 4.42Å; F292-L301 HydrophobicContact CG-CD1 4.41Å; F292-L301 HydrophobicContact CG-CD2 3.71Å; F292-L301 HydrophobicContact CZ-CD2 4.47Å; F293-L301 HydrophobicContact CE1-CB 3.97Å; L301-D305 HydrophobicContact CD1-CB 4.01Å; L301-F306 HydrophobicContact CD2-CB 4.31Å; L301-F306 HydrophobicContact CD2-CD2 3.74Å; L301-F306 HydrophobicContact CG-CB 4.31Å
302	K	95.5	Very high	93.8	Very high	105 Å²	105	60 Å²	60	46%	0.457	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	155.4	177.4	-72	-174.4	175.6	-164.3	0	112.8	M200 E304 D305 F306	M200-K302 HydrophobicContact CE-CD 4.37Å; M200-K302 HydrophobicContact CE-CG 3.58Å; M200-K302 HydrophobicContact SD-CD 4.26Å; M200-K302 HydrophobicContact SD-CG 3.5Å; M200-K302 VanDerWaalsContact SD-CG 3.5Å; K302-E304 VanDerWaalsContact C-N 3.29Å; K302-E304 PolarHBondContact O-N 3.34Å; K302-D305 PolarHBondContact O-N 2.74Å; K302-F306 WeakPolarHBondContact O-CB 3.47Å; K302-F306 PolarHBondContact O-N 3.36Å
303	F	94.9	Very high	93.8	Very high	38 Å²	38	60 Å²	60	17%	0.167	29%	0.29	C	S	.	.	H	α-helix	trans	-56.1	-40.6	174.1	174.7	-113.1	0	0	0	112.9	R187 F190 D305 F306 Y307	R187-F303 VanDerWaalsContact CA-CE2 3.49Å; R187-F303 HydrophobicContact CB-CE2 3.74Å; R187-F303 HydrophobicContact CB-CZ 3.78Å; R187-F303 VanDerWaalsContact CD-CD2 3.48Å; R187-F303 HydrophobicContact CG-CE2 4.23Å; R187-F303 HydrophobicContact CG-CZ 4.3Å; F190-F303 HydrophobicContact CB-CD2 3.8Å; F190-F303 HydrophobicContact CB-CE2 4.34Å; F190-F303 HydrophobicContact CD1-CB 4.15Å; F190-F303 HydrophobicContact CD1-CD2 4.23Å; F190-F303 HydrophobicContact CD2-CB 4.21Å; F190-F303 HydrophobicContact CD2-CD2 4.12Å; F190-F303 HydrophobicContact CE1-CB 4.06Å; F190-F303 HydrophobicContact CE2-CB 4.11Å; F190-F303 HydrophobicContact CG-CB 4.22Å; F190-F303 AromaticContact CG-CD2 3.78Å; F190-F303 HydrophobicContact CG-CD2 3.78Å; F190-F303 HydrophobicContact CG-CG 4.46Å; F190-F303 HydrophobicContact CZ-CB 4.03Å; F303-D305 VanDerWaalsContact C-N 3.3Å; F303-D305 PolarHBondContact O-N 2.86Å; F303-F306 PolarHBondContact O-N 2.95Å; F303-Y307 HydrophobicContact CZ-CD2 4.01Å; F303-Y307 VanDerWaalsContact O-CB 3.26Å; F303-Y307 WeakPolarHBondContact O-CB 3.49Å; F303-Y307 PolarHBondContact O-N 3.47Å
304	E	95.3	Very high	93.8	Very high	104 Å²	104	60.3 Å²	60.3	49%	0.486	29%	0.291	S	S	.	.	H	α-helix	trans	-64.4	-36.2	-179.2	-64.8	67	-142.5	0	0	112.1	K302 K308	K302-E304 VanDerWaalsContact C-N 3.29Å; K302-E304 PolarHBondContact O-N 3.34Å; E304-K308 WeakPolarHBondContact O-CB 3.35Å; E304-K308 WeakPolarHBondContact O-CD 3.41Å; E304-K308 WeakPolarHBondContact O-CG 3.47Å; E304-K308 PolarHBondContact O-N 2.9Å
305	D	95.7	Very high	93.9	Very high	36 Å²	36	59.4 Å²	59.4	19%	0.193	28%	0.281	C	S	.	.	H	α-helix	trans	-81.6	-34.6	-179.1	-67.5	-30.4	0	0	0	111.3	V150 L301 K302 F303 K308 F309	V150-D305 HydrophobicContact CG1-CB 4.44Å; V150-D305 HydrophobicContact CG2-CB 3.89Å; L301-D305 HydrophobicContact CD1-CB 4.01Å; K302-D305 PolarHBondContact O-N 2.74Å; F303-D305 VanDerWaalsContact C-N 3.3Å; F303-D305 PolarHBondContact O-N 2.86Å; D305-K308 PolarHBondContact O-N 2.89Å; D305-K308 IonicContact OD1-NZ 3.01Å; D305-K308 PolarHBondContact OD1-NZ 3.36Å; D305-F309 WeakPolarHBondContact O-CB 3.32Å; D305-F309 PolarHBondContact O-N 3.08Å
306	F	95.2	Very high	94.3	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.009	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-46	168.1	-172	-104.2	0	0	0	111.8	F174 A189 F190 F193 L301 K302 F303 F309 M310	F174-F306 HydrophobicContact CE2-CE2 4.24Å; F174-F306 HydrophobicContact CE2-CZ 4.22Å; F174-F306 AromaticContact CZ-CE2 3.77Å; F174-F306 HydrophobicContact CZ-CE2 3.77Å; F174-F306 HydrophobicContact CZ-CZ 4.13Å; A189-F306 HydrophobicContact CB-CE1 4.32Å; F190-F306 HydrophobicContact CB-CD1 3.94Å; F190-F306 HydrophobicContact CB-CE1 4.02Å; F190-F306 HydrophobicContact CD2-CB 3.85Å; F190-F306 AromaticContact CD2-CD1 3.77Å; F190-F306 HydrophobicContact CD2-CD1 3.77Å; F190-F306 HydrophobicContact CD2-CD2 4.5Å; F190-F306 HydrophobicContact CD2-CE1 4.4Å; F190-F306 AromaticContact CD2-CG 3.82Å; F190-F306 HydrophobicContact CD2-CG 3.82Å; F190-F306 HydrophobicContact CE2-CB 4.22Å; F190-F306 HydrophobicContact CG-CD1 4.35Å; F193-F306 HydrophobicContact CD2-CZ 4.16Å; F193-F306 HydrophobicContact CE2-CE2 4.33Å; F193-F306 AromaticContact CE2-CZ 3.9Å; F193-F306 HydrophobicContact CE2-CZ 3.9Å; L301-F306 HydrophobicContact CD2-CB 4.31Å; L301-F306 HydrophobicContact CD2-CD2 3.74Å; L301-F306 HydrophobicContact CG-CB 4.31Å; K302-F306 WeakPolarHBondContact O-CB 3.47Å; K302-F306 PolarHBondContact O-N 3.36Å; F303-F306 PolarHBondContact O-N 2.95Å; F306-F309 WeakPolarHBondContact O-CB 3.42Å; F306-F309 PolarHBondContact O-N 2.69Å; F306-M310 HydrophobicContact CD1-CG 4.49Å; F306-M310 HydrophobicContact CD1-SD 3.67Å; F306-M310 HydrophobicContact CE1-CG 4.38Å; F306-M310 HydrophobicContact CE1-SD 3.31Å; F306-M310 WeakPolarHBondContact CE1-SD 3.47Å; F306-M310 HydrophobicContact CZ-SD 3.94Å; F306-M310 WeakPolarHBondContact O-CG 3.09Å; F306-M310 PolarHBondContact O-N 3.31Å
307	Y	95.4	Very high	94.6	Very high	82 Å²	82	44.7 Å²	44.7	32%	0.322	22%	0.217	S	C	.	.	H	α-helix	trans	-58.5	-50.2	175.2	179.5	-78.5	0	0	0	111.2	H183 F186 F303 F309 M310 D311	H183-Y307 AromaticContact ND1-CZ 3.98Å; H183-Y307 PolarHBondContact ND1-OH 2.86Å; F186-Y307 HydrophobicContact CB-CD2 4.19Å; F186-Y307 AromaticContact CD2-CD2 3.54Å; F186-Y307 HydrophobicContact CD2-CD2 3.54Å; F186-Y307 AromaticContact CD2-CE2 3.69Å; F186-Y307 HydrophobicContact CD2-CE2 3.69Å; F186-Y307 HydrophobicContact CD2-CG 4.15Å; F186-Y307 HydrophobicContact CE2-CD2 4.38Å; F186-Y307 HydrophobicContact CE2-CE2 4.25Å; F186-Y307 HydrophobicContact CG-CD2 4.34Å; F303-Y307 HydrophobicContact CZ-CD2 4.01Å; F303-Y307 VanDerWaalsContact O-CB 3.26Å; F303-Y307 WeakPolarHBondContact O-CB 3.49Å; F303-Y307 PolarHBondContact O-N 3.47Å; Y307-F309 VanDerWaalsContact C-N 3.3Å; Y307-F309 PolarHBondContact O-N 2.79Å; Y307-M310 PolarHBondContact O-N 3.44Å; Y307-D311 HydrophobicContact CE1-CB 4.33Å; Y307-D311 PolarHBondContact O-N 3.29Å
308	K	96.5	Very high	94.8	Very high	108 Å²	108	44.2 Å²	44.2	47%	0.47	21%	0.21	S	C	.	.	H	α-helix	trans	-59.5	-41.1	176.8	-73.6	167.3	-155.9	156.2	0	111.6	E304 D305 N312	E304-K308 WeakPolarHBondContact O-CB 3.35Å; E304-K308 WeakPolarHBondContact O-CD 3.41Å; E304-K308 WeakPolarHBondContact O-CG 3.47Å; E304-K308 PolarHBondContact O-N 2.9Å; D305-K308 PolarHBondContact O-N 2.89Å; D305-K308 IonicContact OD1-NZ 3.01Å; D305-K308 PolarHBondContact OD1-NZ 3.36Å; K308-N312 WeakPolarHBondContact O-CB 3.45Å; K308-N312 PolarHBondContact O-N 2.97Å; K308-N312 PolarHBondContact O-ND2 3.24Å
309	F	96.5	Very high	95	Very high	9 Å²	9	37.2 Å²	37.2	4%	0.039	18%	0.18	C	C	.	.	H	α-helix	trans	-60.5	-46.9	176.7	175.7	-94.3	0	0	0	111.4	L157 F174 L175 I178 L288 H291 F292 D305 F306 Y307 N312 L313	L157-F309 HydrophobicContact CD2-CD2 4.42Å; L157-F309 HydrophobicContact CD2-CE2 4.06Å; F174-F309 HydrophobicContact CE1-CE1 4.33Å; L175-F309 HydrophobicContact CD2-CE1 4.05Å; L175-F309 HydrophobicContact CD2-CZ 3.77Å; I178-F309 HydrophobicContact CD1-CD1 4.09Å; I178-F309 HydrophobicContact CD1-CE1 3.66Å; L288-F309 HydrophobicContact CD2-CE2 4.04Å; L288-F309 HydrophobicContact CD2-CZ 3.72Å; H291-F309 AromaticContact CD2-CD2 3.91Å; H291-F309 AromaticContact NE2-CD2 3.82Å; F292-F309 HydrophobicContact CE1-CB 4.09Å; F292-F309 HydrophobicContact CE1-CD1 4.02Å; F292-F309 AromaticContact CE1-CD2 3.68Å; F292-F309 HydrophobicContact CE1-CD2 3.68Å; F292-F309 HydrophobicContact CE1-CE1 4.41Å; F292-F309 HydrophobicContact CE1-CE2 4.1Å; F292-F309 AromaticContact CE1-CG 3.63Å; F292-F309 HydrophobicContact CE1-CG 3.63Å; F292-F309 HydrophobicContact CE1-CZ 4.45Å; F292-F309 AromaticContact CZ-CD1 3.64Å; F292-F309 HydrophobicContact CZ-CD1 3.64Å; F292-F309 AromaticContact CZ-CD2 3.92Å; F292-F309 HydrophobicContact CZ-CD2 3.92Å; F292-F309 AromaticContact CZ-CE1 3.71Å; F292-F309 HydrophobicContact CZ-CE1 3.71Å; F292-F309 AromaticContact CZ-CE2 3.98Å; F292-F309 HydrophobicContact CZ-CE2 3.98Å; F292-F309 AromaticContact CZ-CG 3.76Å; F292-F309 HydrophobicContact CZ-CG 3.76Å; F292-F309 AromaticContact CZ-CZ 3.88Å; F292-F309 HydrophobicContact CZ-CZ 3.88Å; D305-F309 WeakPolarHBondContact O-CB 3.32Å; D305-F309 PolarHBondContact O-N 3.08Å; F306-F309 WeakPolarHBondContact O-CB 3.42Å; F306-F309 PolarHBondContact O-N 2.69Å; Y307-F309 VanDerWaalsContact C-N 3.3Å; Y307-F309 PolarHBondContact O-N 2.79Å; F309-N312 PolarHBondContact O-N 2.96Å; F309-L313 HydrophobicContact CE1-CD2 4.33Å; F309-L313 WeakPolarHBondContact O-CB 3.49Å; F309-L313 PolarHBondContact O-N 3.35Å
310	M	95.1	Very high	95	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.2	-47.4	179.3	-67.5	177.5	80.8	0	0	112.5	I178 K181 F186 F306 Y307 L313 Q314	I178-M310 HydrophobicContact CB-CE 4.47Å; I178-M310 HydrophobicContact CD1-CG 4.01Å; I178-M310 HydrophobicContact CG1-CE 3.99Å; I178-M310 HydrophobicContact CG1-CG 4.05Å; I178-M310 HydrophobicContact CG2-CB 3.82Å; I178-M310 HydrophobicContact CG2-CE 4.24Å; I178-M310 HydrophobicContact CG2-CG 3.91Å; K181-M310 HydrophobicContact CB-CE 4.2Å; K181-M310 HydrophobicContact CG-CE 4.07Å; F186-M310 HydrophobicContact CB-CE 4.24Å; F186-M310 HydrophobicContact CB-SD 3.87Å; F186-M310 HydrophobicContact CD1-CE 3.26Å; F186-M310 HydrophobicContact CD1-SD 3.87Å; F186-M310 HydrophobicContact CD2-CB 3.76Å; F186-M310 HydrophobicContact CD2-CE 4.37Å; F186-M310 HydrophobicContact CD2-CG 4.48Å; F186-M310 HydrophobicContact CD2-SD 3.95Å; F186-M310 HydrophobicContact CE1-CB 4.26Å; F186-M310 HydrophobicContact CE1-CE 3.62Å; F186-M310 HydrophobicContact CE1-SD 4.41Å; F186-M310 HydrophobicContact CE2-CB 3.47Å; F186-M310 VanDerWaalsContact CE2-CB 3.47Å; F186-M310 HydrophobicContact CG-CB 4.31Å; F186-M310 HydrophobicContact CG-CE 3.7Å; F186-M310 HydrophobicContact CG-SD 3.62Å; F186-M310 HydrophobicContact CZ-CB 3.75Å; F186-M310 HydrophobicContact CZ-CE 4.33Å; F306-M310 HydrophobicContact CD1-CG 4.49Å; F306-M310 HydrophobicContact CD1-SD 3.67Å; F306-M310 HydrophobicContact CE1-CG 4.38Å; F306-M310 HydrophobicContact CE1-SD 3.31Å; F306-M310 WeakPolarHBondContact CE1-SD 3.47Å; F306-M310 HydrophobicContact CZ-SD 3.94Å; F306-M310 WeakPolarHBondContact O-CG 3.09Å; F306-M310 PolarHBondContact O-N 3.31Å; Y307-M310 PolarHBondContact O-N 3.44Å; M310-L313 PolarHBondContact O-N 3.45Å; M310-Q314 WeakPolarHBondContact O-CG 3.44Å; M310-Q314 PolarHBondContact O-N 2.78Å
311	D	95.7	Very high	94.9	Very high	29 Å²	29	30.9 Å²	30.9	16%	0.155	14%	0.142	C	C	.	.	H	α-helix	trans	-65.4	-41.2	178.1	-175.5	65.6	0	0	0	112	H183 F186 Y307 T315 R373	H183-D311 IonicContact CE1-OD1 3.98Å; H183-D311 PolarHBondContact CE1-OD1 2.91Å; H183-D311 IonicContact NE2-OD1 2.69Å; F186-D311 HydrophobicContact CE2-CB 4.41Å; Y307-D311 HydrophobicContact CE1-CB 4.33Å; Y307-D311 PolarHBondContact O-N 3.29Å; D311-T315 VanDerWaalsContact O-CB 3.28Å; D311-T315 WeakPolarHBondContact O-CB 3.49Å; D311-T315 PolarHBondContact O-N 3.14Å; D311-T315 PolarHBondContact O-OG1 3.18Å; D311-R373 IonicContact OD1-CZ 3.56Å; D311-R373 IonicContact OD1-NH2 2.85Å; D311-R373 PolarHBondContact OD1-NH2 2.7Å; D311-R373 IonicContact OD2-CZ 3.47Å; D311-R373 IonicContact OD2-NH2 3.36Å; D311-R373 PolarHBondContact OD2-NH2 3.04Å
312	N	96.4	Very high	94.7	Very high	36 Å²	36	31.2 Å²	31.2	19%	0.193	14%	0.144	C	C	.	.	H	α-helix	trans	-62.7	-41.6	174.9	-80.4	-44.6	0	0	0	111.9	S154 S155 K308 F309 T315 E316	S154-N312 VanDerWaalsContact C-CG 3.47Å; S155-N312 PolarHBondContact N-OD1 3.13Å; S155-N312 VanDerWaalsContact N-OD1 3.14Å; K308-N312 WeakPolarHBondContact O-CB 3.45Å; K308-N312 PolarHBondContact O-N 2.97Å; K308-N312 PolarHBondContact O-ND2 3.24Å; F309-N312 PolarHBondContact O-N 2.96Å; N312-T315 PolarHBondContact O-N 2.99Å; N312-E316 WeakPolarHBondContact O-CB 3.43Å; N312-E316 PolarHBondContact O-N 2.91Å
313	L	95.8	Very high	94.6	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.026	14%	0.144	C	C	.	.	H	α-helix	trans	-67.5	-43.9	179.5	-177.6	69.8	0	0	0	111.9	F117 F158 L175 I178 L179 F309 M310 T315 E316 V317	F117-L313 HydrophobicContact CE1-CD1 4.09Å; F158-L313 HydrophobicContact CD1-CD1 4.49Å; F158-L313 HydrophobicContact CE1-CD1 4.22Å; F158-L313 HydrophobicContact CE2-CD1 4.26Å; F158-L313 HydrophobicContact CZ-CD1 4.09Å; L175-L313 HydrophobicContact CB-CD2 4.25Å; L175-L313 HydrophobicContact CD2-CD1 4.35Å; L175-L313 HydrophobicContact CD2-CD2 3.44Å; L175-L313 VanDerWaalsContact CD2-CD2 3.44Å; L175-L313 HydrophobicContact CG-CD2 4.45Å; I178-L313 HydrophobicContact CB-CD2 4.01Å; I178-L313 HydrophobicContact CD1-CD2 4.05Å; I178-L313 HydrophobicContact CG2-CD2 3.87Å; L179-L313 HydrophobicContact CD2-CD2 4.26Å; L179-L313 HydrophobicContact CD2-CG 3.98Å; F309-L313 HydrophobicContact CE1-CD2 4.33Å; F309-L313 WeakPolarHBondContact O-CB 3.49Å; F309-L313 PolarHBondContact O-N 3.35Å; M310-L313 PolarHBondContact O-N 3.45Å; L313-T315 VanDerWaalsContact C-N 3.32Å; L313-E316 PolarHBondContact O-N 2.95Å; L313-V317 PolarHBondContact O-N 3.03Å; L313-V317 VanDerWaalsContact O-N 3.17Å
314	Q	94.2	Very high	94.3	Very high	6 Å²	6	32.1 Å²	32.1	3%	0.028	16%	0.16	C	C	.	.	H	α-helix	trans	-59.6	-46.1	173.1	-72.6	-173.7	0.9	0	0	110.7	I178 K181 M310 V317 L318	I178-Q314 HydrophobicContact CG2-CG 4.33Å; I178-Q314 PolarHBondContact O-NE2 3.27Å; K181-Q314 PolarHBondContact O-NE2 3.46Å; M310-Q314 WeakPolarHBondContact O-CG 3.44Å; M310-Q314 PolarHBondContact O-N 2.78Å; Q314-V317 PolarHBondContact O-N 2.88Å; Q314-L318 WeakPolarHBondContact O-CB 3.4Å; Q314-L318 VanDerWaalsContact O-CG 3.26Å; Q314-L318 WeakPolarHBondContact O-CG 3.4Å; Q314-L318 PolarHBondContact O-N 3.1Å; Q314-L318 VanDerWaalsContact O-N 3.09Å
315	T	95.6	Very high	94	Very high	7 Å²	7	27.7 Å²	27.7	4%	0.043	14%	0.141	C	C	.	.	H	α-helix	trans	-62.5	-43.2	177.7	-55.2	0	0	0	0	111.8	D311 N312 L313 V317 L318 E319 F369 R373	D311-T315 VanDerWaalsContact O-CB 3.28Å; D311-T315 WeakPolarHBondContact O-CB 3.49Å; D311-T315 PolarHBondContact O-N 3.14Å; D311-T315 PolarHBondContact O-OG1 3.18Å; N312-T315 PolarHBondContact O-N 2.99Å; L313-T315 VanDerWaalsContact C-N 3.32Å; T315-V317 PolarHBondContact O-N 3.29Å; T315-L318 PolarHBondContact O-N 2.93Å; T315-E319 HydrophobicContact CG2-CG 4.3Å; T315-E319 WeakPolarHBondContact O-CB 3.5Å; T315-E319 WeakPolarHBondContact O-CG 3.14Å; T315-E319 PolarHBondContact O-N 2.55Å; T315-F369 HydrophobicContact CG2-CE1 4.29Å; T315-F369 HydrophobicContact CG2-CZ 4.13Å; T315-R373 PolarHBondContact OG1-NH1 3.47Å; T315-R373 PolarHBondContact OG1-NH2 2.69Å; T315-R373 VanDerWaalsContact OG1-NH2 3.17Å
316	E	96	Very high	93.6	Very high	3 Å²	3	26.2 Å²	26.2	1%	0.014	13%	0.134	C	C	.	.	H	α-helix	trans	-59.8	-46.3	179.7	-177	149.3	-148.5	0	0	111.9	S155 N156 L157 F158 R159 N312 L313 E319 I320	S155-E316 WeakPolarHBondContact O-CA 3.35Å; S155-E316 WeakPolarHBondContact O-CB 3.28Å; S155-E316 WeakPolarHBondContact O-CG 3.41Å; N156-E316 VanDerWaalsContact CA-OE1 3.23Å; N156-E316 WeakPolarHBondContact CA-OE1 3.49Å; L157-E316 PolarHBondContact N-OE1 2.88Å; L157-E316 PolarHBondContact N-OE2 2.75Å; L157-E316 VanDerWaalsContact N-OE2 3.14Å; F158-E316 PolarHBondContact N-OE1 3.13Å; F158-E316 PolarHBondContact N-OE2 3.41Å; R159-E316 VanDerWaalsContact CB-OE1 3.31Å; R159-E316 WeakPolarHBondContact CB-OE1 3.27Å; R159-E316 VanDerWaalsContact CG-OE1 3.3Å; R159-E316 WeakPolarHBondContact CG-OE1 3.44Å; R159-E316 PolarHBondContact N-OE1 3.18Å; R159-E316 IonicContact NE-OE1 3.84Å; R159-E316 PolarHBondContact NE-OE1 2.99Å; N312-E316 WeakPolarHBondContact O-CB 3.43Å; N312-E316 PolarHBondContact O-N 2.91Å; L313-E316 PolarHBondContact O-N 2.95Å; E316-E319 PolarHBondContact O-N 3.23Å; E316-I320 HydrophobicContact CG-CD1 3.94Å; E316-I320 VanDerWaalsContact O-CD1 3.28Å; E316-I320 WeakPolarHBondContact O-CD1 3.33Å; E316-I320 WeakPolarHBondContact O-CG1 3.31Å; E316-I320 PolarHBondContact O-N 3.09Å; E316-I320 VanDerWaalsContact O-N 3.1Å
317	V	93	Very high	93.2	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.012	17%	0.167	C	C	.	.	H	α-helix	trans	-66.8	-41.2	178.1	174.7	0	0	0	0	111.3	F117 V121 L179 L313 Q314 T315 I320 E321	F117-V317 HydrophobicContact CE1-CG2 4.38Å; V121-V317 HydrophobicContact CG2-CG1 3.94Å; V121-V317 HydrophobicContact CG2-CG2 4.01Å; L179-V317 HydrophobicContact CD1-CG1 4.47Å; L179-V317 HydrophobicContact CD1-CG2 4.22Å; L179-V317 HydrophobicContact CD2-CB 4.11Å; L179-V317 HydrophobicContact CD2-CG2 3.68Å; L313-V317 PolarHBondContact O-N 3.03Å; L313-V317 VanDerWaalsContact O-N 3.17Å; Q314-V317 PolarHBondContact O-N 2.88Å; T315-V317 PolarHBondContact O-N 3.29Å; V317-I320 PolarHBondContact O-N 3.14Å; V317-E321 PolarHBondContact O-N 2.91Å
318	L	93.1	Very high	92.6	Very high	9 Å²	9	33 Å²	33	5%	0.047	18%	0.184	C	C	.	.	H	α-helix	trans	-65.3	-40.7	176.5	-69.2	173.2	0	0	0	112.5	Q314 T315 I320 E321 F322 F369 F372 R373 F376	Q314-L318 WeakPolarHBondContact O-CB 3.4Å; Q314-L318 VanDerWaalsContact O-CG 3.26Å; Q314-L318 WeakPolarHBondContact O-CG 3.4Å; Q314-L318 PolarHBondContact O-N 3.1Å; Q314-L318 VanDerWaalsContact O-N 3.09Å; T315-L318 PolarHBondContact O-N 2.93Å; L318-I320 VanDerWaalsContact C-N 3.3Å; L318-I320 PolarHBondContact O-N 2.92Å; L318-E321 PolarHBondContact O-N 3.29Å; L318-F322 VanDerWaalsContact O-CB 3.32Å; L318-F322 WeakPolarHBondContact O-CB 3.47Å; L318-F322 PolarHBondContact O-N 3.06Å; L318-F369 HydrophobicContact CB-CE2 4.22Å; L318-F369 HydrophobicContact CB-CZ 4.46Å; L318-F372 HydrophobicContact CB-CD1 4.48Å; L318-F372 HydrophobicContact CB-CE1 4.02Å; L318-F372 HydrophobicContact CD2-CE1 3.84Å; L318-F372 HydrophobicContact CD2-CZ 4.48Å; L318-F372 WeakPolarHBondContact O-CE1 3.28Å; L318-R373 HydrophobicContact CD1-CG 4.32Å; L318-F376 HydrophobicContact CD1-CB 3.81Å; L318-F376 HydrophobicContact CD2-CB 3.62Å; L318-F376 HydrophobicContact CD2-CD1 3.72Å; L318-F376 HydrophobicContact CD2-CD2 3.92Å; L318-F376 HydrophobicContact CD2-CE1 4.41Å; L318-F376 HydrophobicContact CD2-CG 3.44Å; L318-F376 VanDerWaalsContact CD2-CG 3.44Å; L318-F376 HydrophobicContact CG-CB 4.39Å
319	E	94.4	Very high	92.2	Very high	35 Å²	35	33.9 Å²	33.9	16%	0.164	19%	0.191	C	C	.	.	H	α-helix	trans	-59.6	-41.3	173.5	-79.5	-174.7	-132	0	0	111.2	S155 R159 T315 E316 F322 L323 F369	S155-E319 VanDerWaalsContact CB-OE1 3.26Å; S155-E319 WeakPolarHBondContact CB-OE1 3.13Å; S155-E319 PolarHBondContact OG-OE1 3.24Å; R159-E319 IonicContact CZ-OE2 2.95Å; R159-E319 IonicContact NH1-OE2 3.4Å; R159-E319 PolarHBondContact NH1-OE2 3.47Å; R159-E319 VanDerWaalsContact NH1-OE2 3.11Å; R159-E319 VanDerWaalsContact NH2-CD 3.26Å; R159-E319 IonicContact NH2-OE1 3.2Å; R159-E319 IonicContact NH2-OE2 2.91Å; R159-E319 PolarHBondContact NH2-OE2 3.37Å; T315-E319 HydrophobicContact CG2-CG 4.3Å; T315-E319 WeakPolarHBondContact O-CB 3.5Å; T315-E319 WeakPolarHBondContact O-CG 3.14Å; T315-E319 PolarHBondContact O-N 2.55Å; E316-E319 PolarHBondContact O-N 3.23Å; E319-F322 PolarHBondContact O-N 2.99Å; E319-L323 VanDerWaalsContact O-CB 3.28Å; E319-L323 WeakPolarHBondContact O-CB 3.24Å; E319-L323 WeakPolarHBondContact O-CD1 3.4Å; E319-L323 WeakPolarHBondContact O-CG 3.38Å; E319-L323 PolarHBondContact O-N 2.95Å; E319-F369 HydrophobicContact CB-CE2 4.32Å; E319-F369 HydrophobicContact CB-CZ 4.27Å; E319-F369 HydrophobicContact CG-CE1 3.81Å; E319-F369 HydrophobicContact CG-CE2 3.8Å; E319-F369 HydrophobicContact CG-CZ 3.34Å
320	I	92	Very high	91.9	Very high	28 Å²	28	37.5 Å²	37.5	14%	0.144	22%	0.216	C	C	.	.	H	α-helix	trans	-68.4	-43.7	179.6	-65.7	159.9	0	0	0	111.1	I118 T122 R159 E316 V317 L318 S324	I118-I320 HydrophobicContact CB-CD1 4.48Å; I118-I320 HydrophobicContact CD1-CD1 3.75Å; I118-I320 HydrophobicContact CG1-CD1 3.87Å; I118-I320 HydrophobicContact CG2-CD1 3.79Å; I118-I320 HydrophobicContact CG2-CG2 4.12Å; T122-I320 HydrophobicContact CG2-CG2 4Å; R159-I320 HydrophobicContact CG-CD1 3.92Å; R159-I320 HydrophobicContact CG-CG1 4.31Å; E316-I320 HydrophobicContact CG-CD1 3.94Å; E316-I320 VanDerWaalsContact O-CD1 3.28Å; E316-I320 WeakPolarHBondContact O-CD1 3.33Å; E316-I320 WeakPolarHBondContact O-CG1 3.31Å; E316-I320 PolarHBondContact O-N 3.09Å; E316-I320 VanDerWaalsContact O-N 3.1Å; V317-I320 PolarHBondContact O-N 3.14Å; L318-I320 VanDerWaalsContact C-N 3.3Å; L318-I320 PolarHBondContact O-N 2.92Å; I320-S324 VanDerWaalsContact O-CB 3.27Å; I320-S324 WeakPolarHBondContact O-CB 3.14Å; I320-S324 PolarHBondContact O-N 3.1Å; I320-S324 PolarHBondContact O-OG 3.09Å
321	E	90.3	Very high	91.8	Very high	3 Å²	3	42.7 Å²	42.7	1%	0.014	24%	0.239	C	C	.	.	H	α-helix	trans	-59.3	-48.9	174.3	-72.1	-179.2	-145	0	0	110.4	T122 V317 L318 S324 S325 F372 R451	T122-E321 HydrophobicContact CG2-CG 4.15Å; V317-E321 PolarHBondContact O-N 2.91Å; L318-E321 PolarHBondContact O-N 3.29Å; E321-S324 PolarHBondContact O-N 2.91Å; E321-S324 PolarHBondContact O-OG 2.91Å; E321-S325 PolarHBondContact O-N 2.82Å; E321-F372 HydrophobicContact CB-CZ 4.32Å; E321-R451 IonicContact OE1-CZ 2.67Å; E321-R451 IonicContact OE1-NH1 3.95Å; E321-R451 PolarHBondContact OE1-NH1 3Å; E321-R451 IonicContact OE1-NH2 2.88Å
322	F	92.9	Very high	91.7	Very high	8 Å²	8	41.4 Å²	41.4	4%	0.035	23%	0.232	C	C	.	.	H	α-helix	trans	-59.3	-53.4	178.3	-174.6	-88.3	0	0	0	112.9	L318 E319 S324 S325 S326 P330 I332 I367 F369 F372	L318-F322 VanDerWaalsContact O-CB 3.32Å; L318-F322 WeakPolarHBondContact O-CB 3.47Å; L318-F322 PolarHBondContact O-N 3.06Å; E319-F322 PolarHBondContact O-N 2.99Å; F322-S324 PolarHBondContact O-N 3.14Å; F322-S325 PolarHBondContact O-N 3.23Å; F322-S325 VanDerWaalsContact O-N 3.11Å; F322-S326 PolarHBondContact O-N 2.9Å; F322-P330 WeakPolarHBondContact CZ-O 3.46Å; F322-I332 HydrophobicContact CD1-CG2 4.39Å; F322-I332 HydrophobicContact CD2-CD1 3.96Å; F322-I332 HydrophobicContact CD2-CG1 4.19Å; F322-I332 HydrophobicContact CD2-CG2 3.77Å; F322-I332 HydrophobicContact CE1-CG2 4.33Å; F322-I332 HydrophobicContact CE2-CB 4.26Å; F322-I332 HydrophobicContact CE2-CD1 4.05Å; F322-I332 HydrophobicContact CE2-CG1 3.81Å; F322-I332 HydrophobicContact CE2-CG2 3.72Å; F322-I332 HydrophobicContact CG-CG2 4.12Å; F322-I332 HydrophobicContact CZ-CG2 4.01Å; F322-I367 WeakPolarHBondContact CE2-O 3.26Å; F322-F369 HydrophobicContact CB-CD2 3.9Å; F322-F369 HydrophobicContact CB-CE2 4.3Å; F322-F369 HydrophobicContact CD1-CB 4.34Å; F322-F369 HydrophobicContact CD1-CD2 4.18Å; F322-F369 HydrophobicContact CD2-CB 4.38Å; F322-F369 AromaticContact CD2-CD2 3.99Å; F322-F369 HydrophobicContact CD2-CD2 3.99Å; F322-F369 HydrophobicContact CE1-CB 4.11Å; F322-F369 HydrophobicContact CE2-CB 4.13Å; F322-F369 HydrophobicContact CG-CB 4.48Å; F322-F369 AromaticContact CG-CD2 3.77Å; F322-F369 HydrophobicContact CG-CD2 3.77Å; F322-F369 HydrophobicContact CZ-CB 3.99Å; F322-F372 HydrophobicContact CB-CD1 4.22Å; F322-F372 HydrophobicContact CB-CE1 4.11Å; F322-F372 HydrophobicContact CB-CZ 4.49Å; F322-F372 HydrophobicContact CD2-CB 3.92Å; F322-F372 HydrophobicContact CD2-CD1 4.05Å; F322-F372 HydrophobicContact CD2-CD2 4.09Å; F322-F372 AromaticContact CD2-CG 3.77Å; F322-F372 HydrophobicContact CD2-CG 3.77Å; F322-F372 HydrophobicContact CE2-CB 4.18Å; F322-F372 HydrophobicContact CE2-CG 4.48Å
323	L	92.1	Very high	91.5	Very high	88 Å²	88	40.5 Å²	40.5	46%	0.461	23%	0.228	S	C	.	.	H	α-helix	trans	-64.2	-28.4	-179.5	-70.2	169.4	0	0	0	112.7	E319 S325	E319-L323 VanDerWaalsContact O-CB 3.28Å; E319-L323 WeakPolarHBondContact O-CB 3.24Å; E319-L323 WeakPolarHBondContact O-CD1 3.4Å; E319-L323 WeakPolarHBondContact O-CG 3.38Å; E319-L323 PolarHBondContact O-N 2.95Å; L323-S325 VanDerWaalsContact C-N 3.29Å; L323-S325 PolarHBondContact O-N 2.91Å
324	S	89.4	Confident	91.3	Very high	74 Å²	74	40.3 Å²	40.3	52%	0.517	23%	0.227	S	C	.	.	H	α-helix	trans	-67.4	-31.5	175.8	79.1	0	0	0	0	112.7	I320 E321 F322	I320-S324 VanDerWaalsContact O-CB 3.27Å; I320-S324 WeakPolarHBondContact O-CB 3.14Å; I320-S324 PolarHBondContact O-N 3.1Å; I320-S324 PolarHBondContact O-OG 3.09Å; E321-S324 PolarHBondContact O-N 2.91Å; E321-S324 PolarHBondContact O-OG 2.91Å; F322-S324 PolarHBondContact O-N 3.14Å
325	S	87.6	Confident	91.1	Very high	11 Å²	11	41.3 Å²	41.3	8%	0.077	23%	0.231	C	C	.	.	H	α-helix	trans	-91.4	-37.4	177.3	-77.8	0	0	0	0	113	E321 F322 L323 K327	E321-S325 PolarHBondContact O-N 2.82Å; F322-S325 PolarHBondContact O-N 3.23Å; F322-S325 VanDerWaalsContact O-N 3.11Å; L323-S325 VanDerWaalsContact C-N 3.29Å; L323-S325 PolarHBondContact O-N 2.91Å; S325-K327 WeakPolarHBondContact O-CG 3.34Å; S325-K327 PolarHBondContact O-N 2.8Å; S325-K327 VanDerWaalsContact O-N 3.13Å
326	S	88.5	Confident	90.8	Very high	6 Å²	6	41.7 Å²	41.7	4%	0.042	23%	0.233	C	C	.	.	H	α-helix	trans	-68.3	-13.9	-176.4	86.2	0	0	0	0	113.8	F322 G328 M329	F322-S326 PolarHBondContact O-N 2.9Å; S326-G328 PolarHBondContact O-N 3.15Å; S326-G328 PolarHBondContact OG-N 3.48Å; S326-M329 WeakPolarHBondContact CB-O 3.39Å; S326-M329 VanDerWaalsContact O-CB 3.28Å; S326-M329 WeakPolarHBondContact O-CB 2.85Å; S326-M329 WeakPolarHBondContact O-CG 3.47Å; S326-M329 PolarHBondContact O-N 2.9Å; S326-M329 PolarHBondContact OG-O 3.42Å
327	K	86.8	Confident	90.6	Very high	160 Å²	160	41.5 Å²	41.5	70%	0.696	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	26.9	179.3	-60.4	147.6	-167.5	141	0	112.9	S325 D336	S325-K327 WeakPolarHBondContact O-CG 3.34Å; S325-K327 PolarHBondContact O-N 2.8Å; S325-K327 VanDerWaalsContact O-N 3.13Å; K327-D336 IonicContact NZ-OD2 2.79Å; K327-D336 PolarHBondContact NZ-OD2 3.05Å
328	G	83.2	Confident	90.5	Very high	67 Å²	67	41.4 Å²	41.4	69%	0.691	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	98.8	-2.6	-177.9	0	0	0	0	0	115.1	S326	S326-G328 PolarHBondContact O-N 3.15Å; S326-G328 PolarHBondContact OG-N 3.48Å
329	M	87.9	Confident	90.2	Very high	125 Å²	125	45 Å²	45	62%	0.616	25%	0.245	S	C	*	.			trans	-79.1	155.4	173.6	-60.8	-59.8	-74.7	0	0	111.7	S326 F331	S326-M329 WeakPolarHBondContact CB-O 3.39Å; S326-M329 VanDerWaalsContact O-CB 3.28Å; S326-M329 WeakPolarHBondContact O-CB 2.85Å; S326-M329 WeakPolarHBondContact O-CG 3.47Å; S326-M329 PolarHBondContact O-N 2.9Å; S326-M329 PolarHBondContact OG-O 3.42Å; M329-F331 PolarHBondContact O-N 3.17Å
330	P	89.9	Confident	89.9	Confident	86 Å²	86	43.3 Å²	43.3	56%	0.558	24%	0.237	S	C	*	.	S	Bend	trans	-74.3	-9.7	175.8	28.2	-33.4	0	0	0	114.3	F322	F322-P330 WeakPolarHBondContact CZ-O 3.46Å
331	F	93.1	Very high	89.7	Confident	109 Å²	109	42 Å²	42	48%	0.478	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150.9	178.3	-52.4	-77.4	0	0	0	109.9	M329 I367	M329-F331 PolarHBondContact O-N 3.17Å; F331-I367 WeakPolarHBondContact CA-O 3.34Å
332	I	93.8	Very high	89.4	Confident	2 Å²	2	42 Å²	42	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	149.5	164.6	60.1	178.2	0	0	0	109.4	F322 D336 F337 I340 G366 I367 F372	F322-I332 HydrophobicContact CD1-CG2 4.39Å; F322-I332 HydrophobicContact CD2-CD1 3.96Å; F322-I332 HydrophobicContact CD2-CG1 4.19Å; F322-I332 HydrophobicContact CD2-CG2 3.77Å; F322-I332 HydrophobicContact CE1-CG2 4.33Å; F322-I332 HydrophobicContact CE2-CB 4.26Å; F322-I332 HydrophobicContact CE2-CD1 4.05Å; F322-I332 HydrophobicContact CE2-CG1 3.81Å; F322-I332 HydrophobicContact CE2-CG2 3.72Å; F322-I332 HydrophobicContact CG-CG2 4.12Å; F322-I332 HydrophobicContact CZ-CG2 4.01Å; I332-D336 HydrophobicContact CB-CB 4.41Å; I332-F337 HydrophobicContact CD1-CB 3.81Å; I332-F337 HydrophobicContact CD1-CD2 4.09Å; I332-F337 HydrophobicContact CD1-CG 4.43Å; I332-F337 HydrophobicContact CG1-CB 4.39Å; I332-I340 HydrophobicContact CD1-CD1 4.28Å; I332-G366 CarbonylContact O-C 3.52Å; I332-G366 WeakPolarHBondContact O-CA 3.3Å; I332-I367 HydrophobicContact CG1-CB 3.99Å; I332-I367 HydrophobicContact CG1-CG2 4.46Å; I332-I367 PolarHBondContact N-O 3.4Å; I332-I367 VanDerWaalsContact N-O 3.07Å; I332-I367 PolarHBondContact O-N 3.31Å; I332-F372 HydrophobicContact CD1-CD2 3.63Å; I332-F372 HydrophobicContact CD1-CE2 3.96Å
333	S	92.2	Very high	88.8	Confident	16 Å²	16	46.4 Å²	46.4	11%	0.112	25%	0.247	C	C	.	.			trans	-70.2	158.3	170.2	70.5	0	0	0	0	111.5	E335 D336 F337 E364	S333-E335 PolarHBondContact O-N 3.16Å; S333-D336 PolarHBondContact O-N 2.83Å; S333-D336 VanDerWaalsContact O-N 3.11Å; S333-D336 PolarHBondContact OG-N 3.11Å; S333-F337 PolarHBondContact O-N 3.33Å; S333-E364 VanDerWaalsContact CB-CD 3.43Å; S333-E364 WeakPolarHBondContact CB-OE1 3.31Å; S333-E364 WeakPolarHBondContact CB-OE2 3.49Å
334	E	91.1	Very high	87.7	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.009	23%	0.229	C	C	.	.	H	α-helix	trans	-59.8	-33	175.5	-66	87.8	149.5	0	0	111.2	A338 I361 E364 K365 G366 I367 H419 T423	E334-A338 WeakPolarHBondContact O-CB 3.46Å; E334-A338 PolarHBondContact O-N 2.86Å; E334-I361 HydrophobicContact CB-CD1 4.03Å; E334-I361 HydrophobicContact CG-CD1 4.17Å; E334-I361 HydrophobicContact CG-CG2 4.26Å; E334-E364 WeakPolarHBondContact OE2-CA 3.34Å; E334-K365 PolarHBondContact OE1-N 3.42Å; E334-G366 PolarHBondContact OE1-N 3.46Å; E334-G366 PolarHBondContact OE2-N 3.42Å; E334-I367 HydrophobicContact CG-CD1 4.37Å; E334-H419 IonicContact OE1-CE1 2.68Å; E334-H419 PolarHBondContact OE1-CE1 3.11Å; E334-H419 IonicContact OE1-NE2 3.38Å; E334-H419 PolarHBondContact OE1-NE2 3.16Å; E334-T423 HydrophobicContact CB-CG2 3.85Å; E334-T423 HydrophobicContact CG-CG2 3.81Å
335	E	89.7	Confident	87	Confident	26 Å²	26	40.5 Å²	40.5	12%	0.121	21%	0.209	C	C	.	.	H	α-helix	trans	-68.2	-43.4	172.7	-159.7	-153.3	-174.4	0	0	112.2	S333 F337 A338 R339 V357 R358	S333-E335 PolarHBondContact O-N 3.16Å; E335-F337 VanDerWaalsContact C-N 3.34Å; E335-A338 PolarHBondContact O-N 2.69Å; E335-R339 PolarHBondContact O-N 3.28Å; E335-R339 IonicContact OE1-CZ 2.77Å; E335-R339 IonicContact OE1-NH1 2.83Å; E335-R339 PolarHBondContact OE1-NH1 2.94Å; E335-R339 IonicContact OE1-NH2 3.18Å; E335-R339 IonicContact OE2-CZ 3.68Å; E335-R339 VanDerWaalsContact OE2-CZ 3.26Å; E335-R339 IonicContact OE2-NH1 3.24Å; E335-R339 PolarHBondContact OE2-NH1 3.43Å; E335-R339 IonicContact OE2-NH2 3.61Å; E335-R339 PolarHBondContact OE2-NH2 3.35Å; E335-V357 HydrophobicContact CB-CG1 4.42Å; E335-R358 IonicContact OE1-CZ 2.73Å; E335-R358 IonicContact OE1-NE 2.65Å; E335-R358 PolarHBondContact OE1-NE 3.32Å; E335-R358 IonicContact OE1-NH2 3.76Å; E335-R358 PolarHBondContact OE1-NH2 3.12Å
336	D	90.7	Very high	86	Confident	15 Å²	15	44.9 Å²	44.9	8%	0.08	23%	0.232	C	C	.	.	H	α-helix	trans	-67.6	-34.3	175.1	-91.7	-29	0	0	0	111.9	K327 I332 S333 R339 I340	K327-D336 IonicContact NZ-OD2 2.79Å; K327-D336 PolarHBondContact NZ-OD2 3.05Å; I332-D336 HydrophobicContact CB-CB 4.41Å; S333-D336 PolarHBondContact O-N 2.83Å; S333-D336 VanDerWaalsContact O-N 3.11Å; S333-D336 PolarHBondContact OG-N 3.11Å; D336-R339 VanDerWaalsContact CG-NH2 3.35Å; D336-R339 IonicContact OD1-CZ 3.62Å; D336-R339 IonicContact OD1-NE 2.71Å; D336-R339 PolarHBondContact OD1-NE 2.89Å; D336-R339 IonicContact OD1-NH2 2.63Å; D336-R339 PolarHBondContact OD1-NH2 3.13Å; D336-R339 IonicContact OD2-NH2 3.2Å; D336-I340 WeakPolarHBondContact O-CG1 3.3Å; D336-I340 PolarHBondContact O-N 2.91Å
337	F	92.1	Very high	85.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-47.7	171.1	176.9	-115.8	0	0	0	111.9	I332 S333 E335 R339 I340 L341 I367 F372 F375 F376 L420 T423 V424 I427	I332-F337 HydrophobicContact CD1-CB 3.81Å; I332-F337 HydrophobicContact CD1-CD2 4.09Å; I332-F337 HydrophobicContact CD1-CG 4.43Å; I332-F337 HydrophobicContact CG1-CB 4.39Å; S333-F337 PolarHBondContact O-N 3.33Å; E335-F337 VanDerWaalsContact C-N 3.34Å; F337-R339 VanDerWaalsContact C-N 3.34Å; F337-R339 PolarHBondContact O-N 3.43Å; F337-I340 PolarHBondContact O-N 3.41Å; F337-I340 VanDerWaalsContact O-N 3.13Å; F337-L341 HydrophobicContact CD1-CD1 4.05Å; F337-L341 HydrophobicContact CD2-CG 4.45Å; F337-L341 HydrophobicContact CE1-CD1 3.5Å; F337-L341 VanDerWaalsContact CE1-CD1 3.5Å; F337-L341 HydrophobicContact CE1-CG 4.26Å; F337-L341 HydrophobicContact CE2-CD1 4.2Å; F337-L341 HydrophobicContact CE2-CD2 4.3Å; F337-L341 HydrophobicContact CE2-CG 4.15Å; F337-L341 HydrophobicContact CZ-CD1 3.6Å; F337-L341 HydrophobicContact CZ-CD2 4.31Å; F337-L341 HydrophobicContact CZ-CG 4.05Å; F337-L341 WeakPolarHBondContact O-CG 3.32Å; F337-L341 PolarHBondContact O-N 3.44Å; F337-I367 HydrophobicContact CB-CD1 3.7Å; F337-I367 HydrophobicContact CD1-CD1 3.38Å; F337-I367 HydrophobicContact CD2-CD1 4.13Å; F337-I367 HydrophobicContact CE1-CD1 3.95Å; F337-I367 HydrophobicContact CG-CD1 3.47Å; F337-I367 VanDerWaalsContact CG-CD1 3.47Å; F337-F372 AromaticContact CD2-CD2 3.83Å; F337-F372 HydrophobicContact CD2-CD2 3.83Å; F337-F372 HydrophobicContact CD2-CE2 4.16Å; F337-F372 HydrophobicContact CE2-CD2 4.03Å; F337-F372 HydrophobicContact CE2-CE2 4.48Å; F337-F375 HydrophobicContact CE2-CD1 4.16Å; F337-F375 HydrophobicContact CZ-CB 4.4Å; F337-F375 AromaticContact CZ-CD1 3.66Å; F337-F375 HydrophobicContact CZ-CD1 3.66Å; F337-F375 HydrophobicContact CZ-CE1 4.08Å; F337-F375 AromaticContact CZ-CG 3.97Å; F337-F375 HydrophobicContact CZ-CG 3.97Å; F337-F376 HydrophobicContact CE2-CE2 4.38Å; F337-L420 HydrophobicContact CE1-CD1 3.79Å; F337-L420 HydrophobicContact CE2-CD1 4.36Å; F337-L420 HydrophobicContact CZ-CD1 3.57Å; F337-T423 HydrophobicContact CD1-CG2 4.22Å; F337-V424 HydrophobicContact CE1-CG2 4.17Å; F337-I427 HydrophobicContact CD1-CD1 3.97Å; F337-I427 HydrophobicContact CE1-CD1 4.2Å
338	A	89.9	Confident	84.1	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.1	-42.2	176.1	0	0	0	0	0	111.9	E334 E335 I340 L341 L342 M354 V357 I427	E334-A338 WeakPolarHBondContact O-CB 3.46Å; E334-A338 PolarHBondContact O-N 2.86Å; E335-A338 PolarHBondContact O-N 2.69Å; A338-I340 PolarHBondContact O-N 2.99Å; A338-L341 PolarHBondContact O-N 3.4Å; A338-L342 WeakPolarHBondContact O-CG 3.45Å; A338-L342 PolarHBondContact O-N 3.18Å; A338-M354 HydrophobicContact CB-CE 3.52Å; A338-M354 HydrophobicContact CB-SD 4.46Å; A338-V357 HydrophobicContact CB-CG2 4.1Å; A338-I427 HydrophobicContact CB-CD1 3.77Å; A338-I427 HydrophobicContact CB-CG1 3.92Å; A338-I427 HydrophobicContact CB-CG2 4.46Å
339	R	87.4	Confident	83.6	Confident	83 Å²	83	45.4 Å²	45.4	31%	0.313	23%	0.227	S	C	.	.	H	α-helix	trans	-56.8	-44.8	171.6	-81.7	-171.1	-84.6	-87.2	2.3	112.9	E335 D336 F337 R343 M354	E335-R339 PolarHBondContact O-N 3.28Å; E335-R339 IonicContact OE1-CZ 2.77Å; E335-R339 IonicContact OE1-NH1 2.83Å; E335-R339 PolarHBondContact OE1-NH1 2.94Å; E335-R339 IonicContact OE1-NH2 3.18Å; E335-R339 IonicContact OE2-CZ 3.68Å; E335-R339 VanDerWaalsContact OE2-CZ 3.26Å; E335-R339 IonicContact OE2-NH1 3.24Å; E335-R339 PolarHBondContact OE2-NH1 3.43Å; E335-R339 IonicContact OE2-NH2 3.61Å; E335-R339 PolarHBondContact OE2-NH2 3.35Å; D336-R339 VanDerWaalsContact CG-NH2 3.35Å; D336-R339 IonicContact OD1-CZ 3.62Å; D336-R339 IonicContact OD1-NE 2.71Å; D336-R339 PolarHBondContact OD1-NE 2.89Å; D336-R339 IonicContact OD1-NH2 2.63Å; D336-R339 PolarHBondContact OD1-NH2 3.13Å; D336-R339 IonicContact OD2-NH2 3.2Å; F337-R339 VanDerWaalsContact C-N 3.34Å; F337-R339 PolarHBondContact O-N 3.43Å; R339-R343 PolarHBondContact O-N 3.23Å; R339-M354 HydrophobicContact CB-SD 4.46Å; R339-M354 HydrophobicContact CG-SD 3.48Å; R339-M354 WeakPolarHBondContact CG-SD 3.31Å
340	I	88.2	Confident	83.1	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-46.1	176.3	-67.5	166.6	0	0	0	109.4	I332 D336 F337 A338 L342 R343 F372 F376 R448	I332-I340 HydrophobicContact CD1-CD1 4.28Å; D336-I340 WeakPolarHBondContact O-CG1 3.3Å; D336-I340 PolarHBondContact O-N 2.91Å; F337-I340 PolarHBondContact O-N 3.41Å; F337-I340 VanDerWaalsContact O-N 3.13Å; A338-I340 PolarHBondContact O-N 2.99Å; I340-L342 PolarHBondContact O-N 3.16Å; I340-R343 WeakPolarHBondContact O-CB 3.3Å; I340-R343 PolarHBondContact O-N 3.25Å; I340-F372 HydrophobicContact CD1-CE2 3.76Å; I340-F372 HydrophobicContact CD1-CZ 4.09Å; I340-F372 HydrophobicContact CG2-CE2 4.07Å; I340-F372 HydrophobicContact CG2-CZ 4.09Å; I340-F376 HydrophobicContact CG2-CE2 4.38Å; I340-F376 HydrophobicContact CG2-CZ 3.9Å; I340-R448 PolarHBondContact O-NH1 2.76Å; I340-R448 PolarHBondContact O-NH2 3.2Å
341	L	87.1	Confident	82.6	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.5	-34.4	-178.8	-74	-173.2	0	0	0	114.6	F337 A338 T345 F375 F376 L379 I427 F428 R448	F337-L341 HydrophobicContact CD1-CD1 4.05Å; F337-L341 HydrophobicContact CD2-CG 4.45Å; F337-L341 HydrophobicContact CE1-CD1 3.5Å; F337-L341 VanDerWaalsContact CE1-CD1 3.5Å; F337-L341 HydrophobicContact CE1-CG 4.26Å; F337-L341 HydrophobicContact CE2-CD1 4.2Å; F337-L341 HydrophobicContact CE2-CD2 4.3Å; F337-L341 HydrophobicContact CE2-CG 4.15Å; F337-L341 HydrophobicContact CZ-CD1 3.6Å; F337-L341 HydrophobicContact CZ-CD2 4.31Å; F337-L341 HydrophobicContact CZ-CG 4.05Å; F337-L341 WeakPolarHBondContact O-CG 3.32Å; F337-L341 PolarHBondContact O-N 3.44Å; A338-L341 PolarHBondContact O-N 3.4Å; L341-T345 WeakPolarHBondContact O-CG2 3.46Å; L341-F375 HydrophobicContact CD1-CD1 4.48Å; L341-F375 HydrophobicContact CD1-CE1 3.83Å; L341-F375 HydrophobicContact CD2-CD1 3.89Å; L341-F375 HydrophobicContact CD2-CE1 3.62Å; L341-F375 HydrophobicContact CG-CE1 4.4Å; L341-F376 HydrophobicContact CD2-CE2 4.12Å; L341-F376 HydrophobicContact CD2-CZ 3.75Å; L341-L379 HydrophobicContact CD2-CD1 4.06Å; L341-I427 HydrophobicContact CD1-CD1 4.24Å; L341-F428 HydrophobicContact CD1-CE2 4.17Å; L341-F428 HydrophobicContact CD1-CZ 4.38Å; L341-R448 WeakPolarHBondContact O-CD 3.47Å; L341-R448 PolarHBondContact O-NH1 3.32Å
342	L	83.9	Confident	82.1	Confident	5 Å²	5	38 Å²	38	3%	0.026	20%	0.203	C	C	.	.	H	α-helix	trans	-90	-13.2	-178.8	-63	174.4	0	0	0	114.1	A338 I340 Y344 T345 V350 Y353 M354 F428 V444	A338-L342 WeakPolarHBondContact O-CG 3.45Å; A338-L342 PolarHBondContact O-N 3.18Å; I340-L342 PolarHBondContact O-N 3.16Å; L342-Y344 PolarHBondContact O-N 2.69Å; L342-T345 WeakPolarHBondContact CA-OG1 3.38Å; L342-T345 HydrophobicContact CD2-CG2 4.38Å; L342-T345 PolarHBondContact O-N 2.81Å; L342-T345 PolarHBondContact O-OG1 2.75Å; L342-V350 HydrophobicContact CB-CG1 4.48Å; L342-V350 HydrophobicContact CD1-CG1 4.37Å; L342-Y353 VanDerWaalsContact CD1-CB 3.43Å; L342-Y353 HydrophobicContact CD1-CD1 3.99Å; L342-Y353 HydrophobicContact CD1-CG 3.75Å; L342-Y353 HydrophobicContact CD2-CD1 4.34Å; L342-M354 HydrophobicContact CD1-CE 3.66Å; L342-F428 HydrophobicContact CD2-CE1 3.97Å; L342-F428 HydrophobicContact CD2-CZ 4.37Å; L342-V444 HydrophobicContact CD2-CG1 4.15Å
343	R	79.9	Confident	81.5	Confident	99 Å²	99	38.7 Å²	38.7	37%	0.374	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-36	-177.3	-175.4	177.5	-62.2	-160.4	5.9	115.3	T122 R339 I340	T122-R343 PolarHBondContact O-NH1 3.31Å; R339-R343 PolarHBondContact O-N 3.23Å; I340-R343 WeakPolarHBondContact O-CB 3.3Å; I340-R343 PolarHBondContact O-N 3.25Å
344	Y	70.1	Confident	81.2	Confident	21 Å²	21	38.9 Å²	38.9	8%	0.082	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	22.2	-177	-53.5	-72.2	0	0	0	112.7	V121 L342 D447 R448 R451	V121-Y344 PolarHBondContact O-OH 3.05Å; L342-Y344 PolarHBondContact O-N 2.69Å; Y344-D447 CarbonylContact O-C 3.56Å; Y344-R448 WeakPolarHBondContact O-CA 3.15Å; Y344-R451 HydrophobicContact CD1-CB 4.49Å; Y344-R451 WeakPolarHBondContact CD1-O 3.29Å
345	T	74.1	Confident	80.8	Confident	17 Å²	17	42.8 Å²	42.8	10%	0.104	22%	0.224	C	C	.	.	S	Bend	trans	-107.6	140.4	179.8	67.3	0	0	0	0	110.2	L341 L342 V347 V444 M445 R448	L341-T345 WeakPolarHBondContact O-CG2 3.46Å; L342-T345 WeakPolarHBondContact CA-OG1 3.38Å; L342-T345 HydrophobicContact CD2-CG2 4.38Å; L342-T345 PolarHBondContact O-N 2.81Å; L342-T345 PolarHBondContact O-OG1 2.75Å; T345-V347 PolarHBondContact O-N 2.69Å; T345-V444 HydrophobicContact CG2-CG1 3.7Å; T345-V444 WeakPolarHBondContact CG2-O 3.12Å; T345-M445 HydrophobicContact CG2-CE 3.82Å; T345-R448 HydrophobicContact CG2-CB 4.11Å
346	N	66.6	Low	80.4	Confident	103 Å²	103	44.1 Å²	44.1	55%	0.551	23%	0.232	S	C	*	.			trans	-85.1	61.6	177.6	-173.8	53.7	0	0	0	111	D447	N346-D447 WeakPolarHBondContact CB-OD2 3.46Å
347	V	69.3	Low	80.1	Confident	28 Å²	28	43.6 Å²	43.6	17%	0.17	23%	0.229	C	C	.	.			trans	-101.6	119.7	177.1	177.1	0	0	0	0	108.2	T345 D349 Y353 V444	T345-V347 PolarHBondContact O-N 2.69Å; V347-D349 VanDerWaalsContact C-N 3.35Å; V347-Y353 HydrophobicContact CG1-CD2 3.95Å; V347-Y353 HydrophobicContact CG1-CE2 3.62Å; V347-V444 HydrophobicContact CG2-CG1 3.7Å; V347-V444 HydrophobicContact CG2-CG2 4.26Å
348	D	66.8	Low	79.7	Confident	132 Å²	132	50 Å²	50	71%	0.706	25%	0.253	S	S	*	.	S	Bend	trans	-72.9	-25.9	-178.2	-73	-57.3	0	0	0	112.7	K457	D348-K457 IonicContact OD1-NZ 2.69Å; D348-K457 PolarHBondContact OD1-NZ 2.67Å
349	D	73.1	Confident	79.3	Confident	84 Å²	84	56.6 Å²	56.6	45%	0.449	28%	0.284	S	S	.	.			trans	-111.5	68.9	176.9	-174.5	19.3	0	0	0	112.8	V347 S351 G352 Y353	V347-D349 VanDerWaalsContact C-N 3.35Å; D349-S351 PolarHBondContact O-N 2.91Å; D349-S351 WeakPolarHBondContact OD1-CB 3.3Å; D349-S351 PolarHBondContact OD1-N 3.41Å; D349-S351 PolarHBondContact OD1-OG 3Å; D349-G352 VanDerWaalsContact CG-N 3.35Å; D349-G352 PolarHBondContact O-N 3.08Å; D349-G352 PolarHBondContact OD1-N 3.4Å; D349-G352 WeakPolarHBondContact OD2-CA 3.48Å; D349-G352 PolarHBondContact OD2-N 3.29Å; D349-Y353 WeakPolarHBondContact O-CD2 3.24Å
350	V	76.7	Confident	78.9	Confident	61 Å²	61	54.6 Å²	54.6	37%	0.37	28%	0.282	S	S	.	.	H	α-helix	trans	-61.3	-28.1	171.6	-178.6	0	0	0	0	111.3	L342 M354	L342-V350 HydrophobicContact CB-CG1 4.48Å; L342-V350 HydrophobicContact CD1-CG1 4.37Å; V350-M354 WeakPolarHBondContact O-CG 3.33Å; V350-M354 PolarHBondContact O-N 2.95Å
351	S	79.3	Confident	78.6	Confident	84 Å²	84	55.7 Å²	55.7	59%	0.587	29%	0.288	S	S	*	.	H	α-helix	trans	-60.9	-47.9	177.9	18.5	0	0	0	0	113.1	D349 Y353 M354 E355	D349-S351 PolarHBondContact O-N 2.91Å; D349-S351 WeakPolarHBondContact OD1-CB 3.3Å; D349-S351 PolarHBondContact OD1-N 3.41Å; D349-S351 PolarHBondContact OD1-OG 3Å; S351-Y353 VanDerWaalsContact C-N 3.34Å; S351-Y353 PolarHBondContact O-N 2.84Å; S351-M354 PolarHBondContact O-N 2.89Å; S351-M354 VanDerWaalsContact O-N 3.14Å; S351-E355 PolarHBondContact O-N 3.42Å
352	G	81.5	Confident	77.8	Confident	20 Å²	20	60.7 Å²	60.7	21%	0.206	32%	0.32	C	S	.	.	H	α-helix	trans	-58.2	-44.2	179.2	0	0	0	0	0	112.4	D349 M354 E355 N356	D349-G352 VanDerWaalsContact CG-N 3.35Å; D349-G352 PolarHBondContact O-N 3.08Å; D349-G352 PolarHBondContact OD1-N 3.4Å; D349-G352 WeakPolarHBondContact OD2-CA 3.48Å; D349-G352 PolarHBondContact OD2-N 3.29Å; G352-M354 PolarHBondContact O-N 3.17Å; G352-E355 PolarHBondContact O-N 3.34Å; G352-N356 WeakPolarHBondContact O-CB 3.43Å; G352-N356 PolarHBondContact O-N 3.14Å
353	Y	82.2	Confident	77.5	Confident	16 Å²	16	66.5 Å²	66.5	6%	0.063	35%	0.352	C	S	.	.	H	α-helix	trans	-61.2	-40.5	175.3	-77	-102.3	0	0	0	112.7	L342 V347 D349 S351 V357 I427 F428 E430	L342-Y353 VanDerWaalsContact CD1-CB 3.43Å; L342-Y353 HydrophobicContact CD1-CD1 3.99Å; L342-Y353 HydrophobicContact CD1-CG 3.75Å; L342-Y353 HydrophobicContact CD2-CD1 4.34Å; V347-Y353 HydrophobicContact CG1-CD2 3.95Å; V347-Y353 HydrophobicContact CG1-CE2 3.62Å; D349-Y353 WeakPolarHBondContact O-CD2 3.24Å; S351-Y353 VanDerWaalsContact C-N 3.34Å; S351-Y353 PolarHBondContact O-N 2.84Å; Y353-V357 VanDerWaalsContact O-CG2 3.29Å; Y353-V357 WeakPolarHBondContact O-CG2 3.45Å; Y353-V357 PolarHBondContact O-N 3.32Å; Y353-V357 VanDerWaalsContact O-N 3.16Å; Y353-I427 HydrophobicContact CD1-CG2 4.1Å; Y353-I427 WeakPolarHBondContact CD1-O 3.11Å; Y353-I427 WeakPolarHBondContact CE1-O 3.29Å; Y353-F428 AromaticContact CE1-CD1 3.81Å; Y353-F428 HydrophobicContact CE1-CD1 3.81Å; Y353-F428 HydrophobicContact CE1-CE1 4.19Å; Y353-E430 PolarHBondContact OH-OE1 3.4Å
354	M	85.3	Confident	77.4	Confident	20 Å²	20	67.7 Å²	67.7	10%	0.099	36%	0.362	C	S	.	.	H	α-helix	trans	-67.7	-40.1	177.3	-61.5	-58	84.3	0	0	112	A338 R339 L342 V350 S351 G352 V357 R358	A338-M354 HydrophobicContact CB-CE 3.52Å; A338-M354 HydrophobicContact CB-SD 4.46Å; R339-M354 HydrophobicContact CB-SD 4.46Å; R339-M354 HydrophobicContact CG-SD 3.48Å; R339-M354 WeakPolarHBondContact CG-SD 3.31Å; L342-M354 HydrophobicContact CD1-CE 3.66Å; V350-M354 WeakPolarHBondContact O-CG 3.33Å; V350-M354 PolarHBondContact O-N 2.95Å; S351-M354 PolarHBondContact O-N 2.89Å; S351-M354 VanDerWaalsContact O-N 3.14Å; G352-M354 PolarHBondContact O-N 3.17Å; M354-V357 PolarHBondContact O-N 2.81Å; M354-R358 WeakPolarHBondContact O-CG 3.28Å; M354-R358 PolarHBondContact O-N 2.92Å; M354-R358 VanDerWaalsContact O-N 3.11Å
355	E	82.3	Confident	78.1	Confident	85 Å²	85	74.2 Å²	74.2	40%	0.397	39%	0.39	S	S	.	.	H	α-helix	trans	-72.2	-35.4	-179	-157.3	62.7	-167.4	0	0	111.8	S351 G352 R358 H359	S351-E355 PolarHBondContact O-N 3.42Å; G352-E355 PolarHBondContact O-N 3.34Å; E355-R358 PolarHBondContact O-N 3.08Å; E355-R358 WeakPolarHBondContact OE2-CD 3.32Å; E355-R358 IonicContact OE2-NH1 2.87Å; E355-R358 PolarHBondContact OE2-NH1 3.23Å; E355-H359 PolarHBondContact O-N 2.92Å; E355-H359 VanDerWaalsContact O-N 3.12Å; E355-H359 PolarHBondContact O-ND1 3.26Å; E355-H359 IonicContact OE1-CE1 2.89Å; E355-H359 PolarHBondContact OE1-CE1 3.15Å; E355-H359 VanDerWaalsContact OE1-CE1 3.24Å; E355-H359 IonicContact OE1-ND1 3.91Å
356	N	81.8	Confident	78.9	Confident	54 Å²	54	73.9 Å²	73.9	29%	0.289	39%	0.391	S	S	.	.	H	α-helix	trans	-61.3	-43	171.1	-79.4	5.2	0	0	0	111.9	G352 H359 S360	G352-N356 WeakPolarHBondContact O-CB 3.43Å; G352-N356 PolarHBondContact O-N 3.14Å; N356-H359 PolarHBondContact O-N 3.13Å; N356-S360 WeakPolarHBondContact O-CB 3.41Å; N356-S360 PolarHBondContact O-N 3Å; N356-S360 PolarHBondContact O-OG 3.29Å
357	V	84.6	Confident	80.2	Confident	4 Å²	4	69 Å²	69	2%	0.024	36%	0.364	C	S	.	.	H	α-helix	trans	-62.7	-46.4	177	170.5	0	0	0	0	111.2	E335 A338 Y353 M354 H359 S360 I361 I427	E335-V357 HydrophobicContact CB-CG1 4.42Å; A338-V357 HydrophobicContact CB-CG2 4.1Å; Y353-V357 VanDerWaalsContact O-CG2 3.29Å; Y353-V357 WeakPolarHBondContact O-CG2 3.45Å; Y353-V357 PolarHBondContact O-N 3.32Å; Y353-V357 VanDerWaalsContact O-N 3.16Å; M354-V357 PolarHBondContact O-N 2.81Å; V357-H359 VanDerWaalsContact C-N 3.33Å; V357-H359 PolarHBondContact O-N 3.44Å; V357-S360 PolarHBondContact O-N 2.71Å; V357-I361 HydrophobicContact CG1-CD1 4.48Å; V357-I361 PolarHBondContact O-N 2.98Å; V357-I427 HydrophobicContact CG2-CB 4.32Å; V357-I427 HydrophobicContact CG2-CG1 3.54Å
358	R	84.4	Confident	81.5	Confident	134 Å²	134	68.9 Å²	68.9	51%	0.506	37%	0.365	S	S	.	.	H	α-helix	trans	-59.4	-39.9	178.6	-72.7	168.5	176.3	-170.8	-4.6	113.5	E335 M354 E355	E335-R358 IonicContact OE1-CZ 2.73Å; E335-R358 IonicContact OE1-NE 2.65Å; E335-R358 PolarHBondContact OE1-NE 3.32Å; E335-R358 IonicContact OE1-NH2 3.76Å; E335-R358 PolarHBondContact OE1-NH2 3.12Å; M354-R358 WeakPolarHBondContact O-CG 3.28Å; M354-R358 PolarHBondContact O-N 2.92Å; M354-R358 VanDerWaalsContact O-N 3.11Å; E355-R358 PolarHBondContact O-N 3.08Å; E355-R358 WeakPolarHBondContact OE2-CD 3.32Å; E355-R358 IonicContact OE2-NH1 2.87Å; E355-R358 PolarHBondContact OE2-NH1 3.23Å
359	H	81.3	Confident	82.8	Confident	138 Å²	138	64.9 Å²	64.9	64%	0.639	34%	0.341	S	S	*	.	H	α-helix	trans	-78	-34.4	177.2	-72.9	94.6	0	0	0	112.8	E355 N356 V357	E355-H359 PolarHBondContact O-N 2.92Å; E355-H359 VanDerWaalsContact O-N 3.12Å; E355-H359 PolarHBondContact O-ND1 3.26Å; E355-H359 IonicContact OE1-CE1 2.89Å; E355-H359 PolarHBondContact OE1-CE1 3.15Å; E355-H359 VanDerWaalsContact OE1-CE1 3.24Å; E355-H359 IonicContact OE1-ND1 3.91Å; N356-H359 PolarHBondContact O-N 3.13Å; V357-H359 VanDerWaalsContact C-N 3.33Å; V357-H359 PolarHBondContact O-N 3.44Å
360	S	79	Confident	83.9	Confident	41 Å²	41	68.2 Å²	68.2	29%	0.287	35%	0.354	S	S	.	.	H	α-helix	trans	-83.1	-22.5	-175	-62.5	0	0	0	0	114.2	N356 V357	N356-S360 WeakPolarHBondContact O-CB 3.41Å; N356-S360 PolarHBondContact O-N 3Å; N356-S360 PolarHBondContact O-OG 3.29Å; V357-S360 PolarHBondContact O-N 2.71Å
361	I	81.4	Confident	84.7	Confident	23 Å²	23	67.2 Å²	67.2	12%	0.118	35%	0.345	C	S	.	.			trans	-131.8	77	-177.6	-47.2	-179.2	0	0	0	109.1	E334 V357 D363 T423 K426	E334-I361 HydrophobicContact CB-CD1 4.03Å; E334-I361 HydrophobicContact CG-CD1 4.17Å; E334-I361 HydrophobicContact CG-CG2 4.26Å; V357-I361 HydrophobicContact CG1-CD1 4.48Å; V357-I361 PolarHBondContact O-N 2.98Å; I361-D363 VanDerWaalsContact C-N 3.34Å; I361-T423 HydrophobicContact CD1-CG2 3.86Å; I361-K426 HydrophobicContact CD1-CB 4.04Å; I361-K426 HydrophobicContact CG1-CB 4.12Å; I361-K426 HydrophobicContact CG1-CG 4.36Å
362	P	69.9	Low	85.5	Confident	105 Å²	105	63.2 Å²	63.2	68%	0.682	32%	0.317	S	S	*	.			trans	-73.5	-25.5	177.5	29.6	-35.4	0	0	0	113.2
363	D	77.6	Confident	86.1	Confident	128 Å²	128	65.2 Å²	65.2	68%	0.684	32%	0.319	S	S	*	.	S	Bend	trans	-98.9	92.4	176.4	-67.9	-36	0	0	0	109.9	I361 K365	I361-D363 VanDerWaalsContact C-N 3.34Å; D363-K365 PolarHBondContact O-N 3.22Å; D363-K365 VanDerWaalsContact O-N 3.16Å
364	E	78.6	Confident	86.7	Confident	124 Å²	124	66 Å²	66	58%	0.579	33%	0.326	S	S	*	.			trans	-64.8	110.5	172.5	-64.8	-169.3	163.5	0	0	110.2	S333 E334	S333-E364 VanDerWaalsContact CB-CD 3.43Å; S333-E364 WeakPolarHBondContact CB-OE1 3.31Å; S333-E364 WeakPolarHBondContact CB-OE2 3.49Å; E334-E364 WeakPolarHBondContact OE2-CA 3.34Å
365	K	84.4	Confident	87.1	Confident	157 Å²	157	65 Å²	65	68%	0.683	32%	0.322	S	S	*	.			trans	-88.1	-26.4	172.7	-68.9	175.7	-176.5	172.7	0	111.3	E334 D363	E334-K365 PolarHBondContact OE1-N 3.42Å; D363-K365 PolarHBondContact O-N 3.22Å; D363-K365 VanDerWaalsContact O-N 3.16Å
366	G	90.8	Very high	87.5	Confident	11 Å²	11	61.6 Å²	61.6	11%	0.113	31%	0.305	C	S	.	.			trans	79.5	138.7	-179.2	0	0	0	0	0	112.9	I332 E334	I332-G366 CarbonylContact O-C 3.52Å; I332-G366 WeakPolarHBondContact O-CA 3.3Å; E334-G366 PolarHBondContact OE1-N 3.46Å; E334-G366 PolarHBondContact OE2-N 3.42Å
367	I	94.6	Very high	88	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	129.3	179.8	-68	167.8	0	0	0	109.1	F322 F331 I332 E334 F337 E371 F372 L420 T423	F322-I367 WeakPolarHBondContact CE2-O 3.26Å; F331-I367 WeakPolarHBondContact CA-O 3.34Å; I332-I367 HydrophobicContact CG1-CB 3.99Å; I332-I367 HydrophobicContact CG1-CG2 4.46Å; I332-I367 PolarHBondContact N-O 3.4Å; I332-I367 VanDerWaalsContact N-O 3.07Å; I332-I367 PolarHBondContact O-N 3.31Å; E334-I367 HydrophobicContact CG-CD1 4.37Å; F337-I367 HydrophobicContact CB-CD1 3.7Å; F337-I367 HydrophobicContact CD1-CD1 3.38Å; F337-I367 HydrophobicContact CD2-CD1 4.13Å; F337-I367 HydrophobicContact CE1-CD1 3.95Å; F337-I367 HydrophobicContact CG-CD1 3.47Å; F337-I367 VanDerWaalsContact CG-CD1 3.47Å; I367-E371 HydrophobicContact CG2-CB 3.92Å; I367-F372 HydrophobicContact CG2-CB 4.3Å; I367-L420 HydrophobicContact CD1-CD1 4.24Å; I367-T423 HydrophobicContact CD1-CG2 4.17Å
368	S	95.4	Very high	88.4	Confident	26 Å²	26	60.2 Å²	60.2	18%	0.182	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	161	176.7	66.2	0	0	0	0	112.4	E370 E371 F372	S368-E370 VanDerWaalsContact C-N 3.25Å; S368-E370 PolarHBondContact O-N 3.09Å; S368-E371 WeakPolarHBondContact CB-OE2 3.39Å; S368-E371 PolarHBondContact N-OE2 3.32Å; S368-E371 PolarHBondContact O-N 3.43Å; S368-E371 VanDerWaalsContact OG-CG 3.32Å; S368-E371 WeakPolarHBondContact OG-CG 3.16Å; S368-E371 PolarHBondContact OG-N 3.33Å; S368-E371 PolarHBondContact OG-OE2 3.06Å; S368-F372 WeakPolarHBondContact O-CB 3.46Å; S368-F372 PolarHBondContact O-N 3.22Å
369	F	95.3	Very high	88.7	Confident	48 Å²	48	54.2 Å²	54.2	21%	0.211	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-31.2	175.9	-179.6	-110.3	0	0	0	113	T315 L318 E319 F322 F372 R373	T315-F369 HydrophobicContact CG2-CE1 4.29Å; T315-F369 HydrophobicContact CG2-CZ 4.13Å; L318-F369 HydrophobicContact CB-CE2 4.22Å; L318-F369 HydrophobicContact CB-CZ 4.46Å; E319-F369 HydrophobicContact CB-CE2 4.32Å; E319-F369 HydrophobicContact CB-CZ 4.27Å; E319-F369 HydrophobicContact CG-CE1 3.81Å; E319-F369 HydrophobicContact CG-CE2 3.8Å; E319-F369 HydrophobicContact CG-CZ 3.34Å; F322-F369 HydrophobicContact CB-CD2 3.9Å; F322-F369 HydrophobicContact CB-CE2 4.3Å; F322-F369 HydrophobicContact CD1-CB 4.34Å; F322-F369 HydrophobicContact CD1-CD2 4.18Å; F322-F369 HydrophobicContact CD2-CB 4.38Å; F322-F369 AromaticContact CD2-CD2 3.99Å; F322-F369 HydrophobicContact CD2-CD2 3.99Å; F322-F369 HydrophobicContact CE1-CB 4.11Å; F322-F369 HydrophobicContact CE2-CB 4.13Å; F322-F369 HydrophobicContact CG-CB 4.48Å; F322-F369 AromaticContact CG-CD2 3.77Å; F322-F369 HydrophobicContact CG-CD2 3.77Å; F322-F369 HydrophobicContact CZ-CB 3.99Å; F369-F372 HydrophobicContact CD2-CD1 4.18Å; F369-F372 HydrophobicContact CE2-CD1 4.15Å; F369-R373 HydrophobicContact CZ-CB 4.33Å; F369-R373 WeakPolarHBondContact O-CB 3.17Å; F369-R373 PolarHBondContact O-N 2.92Å
370	E	94.8	Very high	89	Confident	154 Å²	154	48.8 Å²	48.8	72%	0.72	25%	0.25	S	S	*	.	H	α-helix	trans	-69.2	-42.9	177.8	-65.6	-174.9	178.7	0	0	111.9	S368 S374	S368-E370 VanDerWaalsContact C-N 3.25Å; S368-E370 PolarHBondContact O-N 3.09Å; E370-S374 VanDerWaalsContact O-CB 3.26Å; E370-S374 WeakPolarHBondContact O-CB 3.36Å; E370-S374 PolarHBondContact O-N 2.92Å; E370-S374 PolarHBondContact O-OG 3.44Å
371	E	95.4	Very high	89.5	Confident	39 Å²	39	47.8 Å²	47.8	18%	0.182	24%	0.242	C	C	.	.	H	α-helix	trans	-64.1	-44.5	173.2	-72.5	167.3	121.1	0	0	111.3	I367 S368 S374 F375 S417 L420	I367-E371 HydrophobicContact CG2-CB 3.92Å; S368-E371 WeakPolarHBondContact CB-OE2 3.39Å; S368-E371 PolarHBondContact N-OE2 3.32Å; S368-E371 PolarHBondContact O-N 3.43Å; S368-E371 VanDerWaalsContact OG-CG 3.32Å; S368-E371 WeakPolarHBondContact OG-CG 3.16Å; S368-E371 PolarHBondContact OG-N 3.33Å; S368-E371 PolarHBondContact OG-OE2 3.06Å; E371-S374 PolarHBondContact O-N 3.08Å; E371-F375 PolarHBondContact O-N 3.15Å; E371-S417 VanDerWaalsContact OE1-CB 3.24Å; E371-S417 WeakPolarHBondContact OE1-CB 3.34Å; E371-S417 PolarHBondContact OE1-OG 3.01Å; E371-L420 HydrophobicContact CB-CD2 4.21Å
372	F	94.6	Very high	89.8	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-56	-56	174.3	-177.5	-95.6	0	0	0	111.1	L318 E321 F322 I332 F337 I340 I367 S368 F369 S374 F375 F376	L318-F372 HydrophobicContact CB-CD1 4.48Å; L318-F372 HydrophobicContact CB-CE1 4.02Å; L318-F372 HydrophobicContact CD2-CE1 3.84Å; L318-F372 HydrophobicContact CD2-CZ 4.48Å; L318-F372 WeakPolarHBondContact O-CE1 3.28Å; E321-F372 HydrophobicContact CB-CZ 4.32Å; F322-F372 HydrophobicContact CB-CD1 4.22Å; F322-F372 HydrophobicContact CB-CE1 4.11Å; F322-F372 HydrophobicContact CB-CZ 4.49Å; F322-F372 HydrophobicContact CD2-CB 3.92Å; F322-F372 HydrophobicContact CD2-CD1 4.05Å; F322-F372 HydrophobicContact CD2-CD2 4.09Å; F322-F372 AromaticContact CD2-CG 3.77Å; F322-F372 HydrophobicContact CD2-CG 3.77Å; F322-F372 HydrophobicContact CE2-CB 4.18Å; F322-F372 HydrophobicContact CE2-CG 4.48Å; I332-F372 HydrophobicContact CD1-CD2 3.63Å; I332-F372 HydrophobicContact CD1-CE2 3.96Å; F337-F372 AromaticContact CD2-CD2 3.83Å; F337-F372 HydrophobicContact CD2-CD2 3.83Å; F337-F372 HydrophobicContact CD2-CE2 4.16Å; F337-F372 HydrophobicContact CE2-CD2 4.03Å; F337-F372 HydrophobicContact CE2-CE2 4.48Å; I340-F372 HydrophobicContact CD1-CE2 3.76Å; I340-F372 HydrophobicContact CD1-CZ 4.09Å; I340-F372 HydrophobicContact CG2-CE2 4.07Å; I340-F372 HydrophobicContact CG2-CZ 4.09Å; I367-F372 HydrophobicContact CG2-CB 4.3Å; S368-F372 WeakPolarHBondContact O-CB 3.46Å; S368-F372 PolarHBondContact O-N 3.22Å; F369-F372 HydrophobicContact CD2-CD1 4.18Å; F369-F372 HydrophobicContact CE2-CD1 4.15Å; F372-S374 VanDerWaalsContact C-N 3.32Å; F372-S374 PolarHBondContact O-N 3.05Å; F372-F375 WeakPolarHBondContact O-CB 3.42Å; F372-F375 PolarHBondContact O-N 2.93Å; F372-F375 VanDerWaalsContact O-N 3.17Å; F372-F376 HydrophobicContact CD1-CD2 4.14Å; F372-F376 HydrophobicContact CD2-CD2 4.21Å; F372-F376 AromaticContact CD2-CE2 3.94Å; F372-F376 HydrophobicContact CD2-CE2 3.94Å; F372-F376 AromaticContact CE1-CD2 3.94Å; F372-F376 HydrophobicContact CE1-CD2 3.94Å; F372-F376 HydrophobicContact CE1-CE2 4.07Å; F372-F376 HydrophobicContact CE2-CD2 4.03Å; F372-F376 AromaticContact CE2-CE2 3.44Å; F372-F376 HydrophobicContact CE2-CE2 3.44Å; F372-F376 VanDerWaalsContact CE2-CE2 3.44Å; F372-F376 HydrophobicContact CE2-CZ 4.34Å; F372-F376 HydrophobicContact CG-CD2 4.27Å; F372-F376 HydrophobicContact CG-CE2 4.45Å; F372-F376 AromaticContact CZ-CD2 3.88Å; F372-F376 HydrophobicContact CZ-CD2 3.88Å; F372-F376 AromaticContact CZ-CE2 3.51Å; F372-F376 HydrophobicContact CZ-CE2 3.51Å; F372-F376 HydrophobicContact CZ-CZ 4.24Å; F372-F376 WeakPolarHBondContact O-CD2 3.19Å; F372-F376 PolarHBondContact O-N 3.31Å; F372-F376 VanDerWaalsContact O-N 3.09Å
373	R	94.1	Very high	90.6	Very high	63 Å²	63	48.9 Å²	48.9	24%	0.238	24%	0.238	C	C	.	.	H	α-helix	trans	-57.3	-44.4	178.4	180	178.2	175.3	175.7	1.3	111.7	D311 T315 L318 F369 F375 F376 Q377	D311-R373 IonicContact OD1-CZ 3.56Å; D311-R373 IonicContact OD1-NH2 2.85Å; D311-R373 PolarHBondContact OD1-NH2 2.7Å; D311-R373 IonicContact OD2-CZ 3.47Å; D311-R373 IonicContact OD2-NH2 3.36Å; D311-R373 PolarHBondContact OD2-NH2 3.04Å; T315-R373 PolarHBondContact OG1-NH1 3.47Å; T315-R373 PolarHBondContact OG1-NH2 2.69Å; T315-R373 VanDerWaalsContact OG1-NH2 3.17Å; L318-R373 HydrophobicContact CD1-CG 4.32Å; F369-R373 HydrophobicContact CZ-CB 4.33Å; F369-R373 WeakPolarHBondContact O-CB 3.17Å; F369-R373 PolarHBondContact O-N 2.92Å; R373-F375 VanDerWaalsContact C-N 3.32Å; R373-F375 PolarHBondContact O-N 3Å; R373-F376 PolarHBondContact O-N 3.23Å; R373-Q377 HydrophobicContact CG-CG 4.39Å; R373-Q377 WeakPolarHBondContact O-CG 3.45Å; R373-Q377 PolarHBondContact O-N 2.86Å
374	S	94.6	Very high	91.1	Very high	32 Å²	32	46.7 Å²	46.7	22%	0.224	23%	0.226	C	C	.	.	H	α-helix	trans	-60.4	-40.8	178.7	-61.4	0	0	0	0	112.1	E370 E371 F372 F378	E370-S374 VanDerWaalsContact O-CB 3.26Å; E370-S374 WeakPolarHBondContact O-CB 3.36Å; E370-S374 PolarHBondContact O-N 2.92Å; E370-S374 PolarHBondContact O-OG 3.44Å; E371-S374 PolarHBondContact O-N 3.08Å; F372-S374 VanDerWaalsContact C-N 3.32Å; F372-S374 PolarHBondContact O-N 3.05Å; S374-F378 PolarHBondContact O-N 3.46Å
375	F	94.5	Very high	91.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.3	-44.3	175.6	-163	-107.4	0	0	0	112.2	F337 L341 E371 F372 R373 F378 L379 L416 L420 V424 F441	F337-F375 HydrophobicContact CE2-CD1 4.16Å; F337-F375 HydrophobicContact CZ-CB 4.4Å; F337-F375 AromaticContact CZ-CD1 3.66Å; F337-F375 HydrophobicContact CZ-CD1 3.66Å; F337-F375 HydrophobicContact CZ-CE1 4.08Å; F337-F375 AromaticContact CZ-CG 3.97Å; F337-F375 HydrophobicContact CZ-CG 3.97Å; L341-F375 HydrophobicContact CD1-CD1 4.48Å; L341-F375 HydrophobicContact CD1-CE1 3.83Å; L341-F375 HydrophobicContact CD2-CD1 3.89Å; L341-F375 HydrophobicContact CD2-CE1 3.62Å; L341-F375 HydrophobicContact CG-CE1 4.4Å; E371-F375 PolarHBondContact O-N 3.15Å; F372-F375 WeakPolarHBondContact O-CB 3.42Å; F372-F375 PolarHBondContact O-N 2.93Å; F372-F375 VanDerWaalsContact O-N 3.17Å; R373-F375 VanDerWaalsContact C-N 3.32Å; R373-F375 PolarHBondContact O-N 3Å; F375-F378 AromaticContact CD2-CD1 3.85Å; F375-F378 HydrophobicContact CD2-CD1 3.85Å; F375-F378 HydrophobicContact CD2-CE1 4.33Å; F375-F378 AromaticContact CE2-CD1 3.69Å; F375-F378 HydrophobicContact CE2-CD1 3.69Å; F375-F378 AromaticContact CE2-CE1 3.69Å; F375-F378 HydrophobicContact CE2-CE1 3.69Å; F375-F378 HydrophobicContact CG-CD1 4.49Å; F375-F378 HydrophobicContact CZ-CD1 4.23Å; F375-F378 HydrophobicContact CZ-CE1 4.03Å; F375-F378 WeakPolarHBondContact O-CA 3.26Å; F375-F378 VanDerWaalsContact O-CB 3.32Å; F375-F378 WeakPolarHBondContact O-CB 3.27Å; F375-F378 PolarHBondContact O-N 3.45Å; F375-L379 HydrophobicContact CD1-CD1 3.93Å; F375-L379 HydrophobicContact CD1-CG 4.12Å; F375-L379 HydrophobicContact CE1-CD1 3.79Å; F375-L379 HydrophobicContact CE1-CD2 4.01Å; F375-L379 HydrophobicContact CE1-CG 3.93Å; F375-L379 HydrophobicContact CZ-CD2 4.26Å; F375-L379 WeakPolarHBondContact O-CG 3.27Å; F375-L379 PolarHBondContact O-N 3.48Å; F375-L416 HydrophobicContact CD2-CD1 3.99Å; F375-L416 HydrophobicContact CD2-CD2 4.48Å; F375-L416 HydrophobicContact CE2-CD1 4.28Å; F375-L420 HydrophobicContact CB-CD1 4.43Å; F375-L420 HydrophobicContact CB-CD2 4Å; F375-L420 HydrophobicContact CD2-CD1 4.32Å; F375-L420 HydrophobicContact CD2-CD2 4.09Å; F375-L420 HydrophobicContact CD2-CG 4.25Å; F375-L420 HydrophobicContact CG-CD1 4.42Å; F375-L420 HydrophobicContact CG-CD2 4.43Å; F375-V424 HydrophobicContact CD2-CG2 4.19Å; F375-V424 HydrophobicContact CE1-CG2 4.39Å; F375-V424 HydrophobicContact CE2-CB 4.49Å; F375-V424 HydrophobicContact CE2-CG1 4.34Å; F375-V424 HydrophobicContact CE2-CG2 3.45Å; F375-V424 VanDerWaalsContact CE2-CG2 3.45Å; F375-V424 HydrophobicContact CZ-CG1 4.17Å; F375-V424 HydrophobicContact CZ-CG2 3.56Å; F375-F441 HydrophobicContact CZ-CE2 4.11Å; F375-F441 HydrophobicContact CZ-CZ 4.1Å
376	F	91.4	Very high	91.7	Very high	12 Å²	12	33.7 Å²	33.7	5%	0.053	17%	0.168	C	C	.	.	H	α-helix	trans	-69.2	-35.3	-179.9	-86.5	-83.2	0	0	0	113.4	L318 F337 I340 L341 F372 R373 F378 L379 N380	L318-F376 HydrophobicContact CD1-CB 3.81Å; L318-F376 HydrophobicContact CD2-CB 3.62Å; L318-F376 HydrophobicContact CD2-CD1 3.72Å; L318-F376 HydrophobicContact CD2-CD2 3.92Å; L318-F376 HydrophobicContact CD2-CE1 4.41Å; L318-F376 HydrophobicContact CD2-CG 3.44Å; L318-F376 VanDerWaalsContact CD2-CG 3.44Å; L318-F376 HydrophobicContact CG-CB 4.39Å; F337-F376 HydrophobicContact CE2-CE2 4.38Å; I340-F376 HydrophobicContact CG2-CE2 4.38Å; I340-F376 HydrophobicContact CG2-CZ 3.9Å; L341-F376 HydrophobicContact CD2-CE2 4.12Å; L341-F376 HydrophobicContact CD2-CZ 3.75Å; F372-F376 HydrophobicContact CD1-CD2 4.14Å; F372-F376 HydrophobicContact CD2-CD2 4.21Å; F372-F376 AromaticContact CD2-CE2 3.94Å; F372-F376 HydrophobicContact CD2-CE2 3.94Å; F372-F376 AromaticContact CE1-CD2 3.94Å; F372-F376 HydrophobicContact CE1-CD2 3.94Å; F372-F376 HydrophobicContact CE1-CE2 4.07Å; F372-F376 HydrophobicContact CE2-CD2 4.03Å; F372-F376 AromaticContact CE2-CE2 3.44Å; F372-F376 HydrophobicContact CE2-CE2 3.44Å; F372-F376 VanDerWaalsContact CE2-CE2 3.44Å; F372-F376 HydrophobicContact CE2-CZ 4.34Å; F372-F376 HydrophobicContact CG-CD2 4.27Å; F372-F376 HydrophobicContact CG-CE2 4.45Å; F372-F376 AromaticContact CZ-CD2 3.88Å; F372-F376 HydrophobicContact CZ-CD2 3.88Å; F372-F376 AromaticContact CZ-CE2 3.51Å; F372-F376 HydrophobicContact CZ-CE2 3.51Å; F372-F376 HydrophobicContact CZ-CZ 4.24Å; F372-F376 WeakPolarHBondContact O-CD2 3.19Å; F372-F376 PolarHBondContact O-N 3.31Å; F372-F376 VanDerWaalsContact O-N 3.09Å; R373-F376 PolarHBondContact O-N 3.23Å; F376-F378 VanDerWaalsContact C-N 3.32Å; F376-L379 HydrophobicContact CD1-CD1 4.14Å; F376-L379 HydrophobicContact CE1-CD1 4.1Å; F376-L379 PolarHBondContact O-N 3.17Å; F376-N380 PolarHBondContact O-N 2.92Å; F376-N380 VanDerWaalsContact O-N 3.14Å
377	Q	91.5	Very high	91.4	Very high	30 Å²	30	38.3 Å²	38.3	14%	0.14	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-37.9	169.6	-74.1	175.5	-34	0	0	111.5	H183 R373 N380 N381 I414	H183-Q377 PolarHBondContact CE1-NE2 3.44Å; H183-Q377 VanDerWaalsContact CE1-NE2 3.3Å; H183-Q377 PolarHBondContact NE2-NE2 3.04Å; R373-Q377 HydrophobicContact CG-CG 4.39Å; R373-Q377 WeakPolarHBondContact O-CG 3.45Å; R373-Q377 PolarHBondContact O-N 2.86Å; Q377-N380 PolarHBondContact O-N 3.2Å; Q377-N381 PolarHBondContact O-ND2 3.38Å; Q377-I414 HydrophobicContact CB-CD1 3.62Å
378	F	92.2	Very high	90.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.1	-46.9	170.4	150.7	-117.3	0	0	0	112.2	S374 F375 F376 N380 N381 F385 F404 V408 T412 I414 L416 F441	S374-F378 PolarHBondContact O-N 3.46Å; F375-F378 AromaticContact CD2-CD1 3.85Å; F375-F378 HydrophobicContact CD2-CD1 3.85Å; F375-F378 HydrophobicContact CD2-CE1 4.33Å; F375-F378 AromaticContact CE2-CD1 3.69Å; F375-F378 HydrophobicContact CE2-CD1 3.69Å; F375-F378 AromaticContact CE2-CE1 3.69Å; F375-F378 HydrophobicContact CE2-CE1 3.69Å; F375-F378 HydrophobicContact CG-CD1 4.49Å; F375-F378 HydrophobicContact CZ-CD1 4.23Å; F375-F378 HydrophobicContact CZ-CE1 4.03Å; F375-F378 WeakPolarHBondContact O-CA 3.26Å; F375-F378 VanDerWaalsContact O-CB 3.32Å; F375-F378 WeakPolarHBondContact O-CB 3.27Å; F375-F378 PolarHBondContact O-N 3.45Å; F376-F378 VanDerWaalsContact C-N 3.32Å; F378-N380 VanDerWaalsContact C-N 3.27Å; F378-N380 PolarHBondContact O-N 3.23Å; F378-N381 CarbonylContact O-C 3.49Å; F378-N381 WeakPolarHBondContact O-CA 3.5Å; F378-N381 PolarHBondContact O-N 3.48Å; F378-F385 HydrophobicContact CE2-CB 3.89Å; F378-F385 AromaticContact CE2-CD1 3.96Å; F378-F385 HydrophobicContact CE2-CD1 3.96Å; F378-F385 AromaticContact CE2-CD2 3.72Å; F378-F385 HydrophobicContact CE2-CD2 3.72Å; F378-F385 HydrophobicContact CE2-CE1 4.41Å; F378-F385 HydrophobicContact CE2-CE2 4.19Å; F378-F385 AromaticContact CE2-CG 3.58Å; F378-F385 HydrophobicContact CE2-CG 3.58Å; F378-F385 HydrophobicContact CZ-CD1 4.06Å; F378-F385 HydrophobicContact CZ-CD2 4.26Å; F378-F385 HydrophobicContact CZ-CE1 4.12Å; F378-F385 HydrophobicContact CZ-CE2 4.32Å; F378-F385 HydrophobicContact CZ-CG 4.12Å; F378-F385 HydrophobicContact CZ-CZ 4.26Å; F378-F404 AromaticContact CE1-CZ 4Å; F378-F404 HydrophobicContact CE1-CZ 4Å; F378-F404 HydrophobicContact CZ-CZ 4.02Å; F378-V408 HydrophobicContact CB-CG1 4.11Å; F378-V408 HydrophobicContact CD2-CB 4.33Å; F378-V408 HydrophobicContact CD2-CG1 3.69Å; F378-V408 HydrophobicContact CD2-CG2 3.92Å; F378-V408 HydrophobicContact CE1-CG2 4.25Å; F378-V408 HydrophobicContact CE2-CB 4.45Å; F378-V408 HydrophobicContact CE2-CG1 4.28Å; F378-V408 HydrophobicContact CE2-CG2 3.63Å; F378-V408 HydrophobicContact CG-CG1 3.86Å; F378-V408 HydrophobicContact CG-CG2 4.37Å; F378-V408 HydrophobicContact CZ-CG2 3.79Å; F378-T412 HydrophobicContact CD2-CG2 4.15Å; F378-I414 HydrophobicContact CB-CD1 4.48Å; F378-L416 HydrophobicContact CD1-CD1 4.33Å; F378-F441 HydrophobicContact CE1-CE1 4.1Å; F378-F441 AromaticContact CE1-CZ 3.76Å; F378-F441 HydrophobicContact CE1-CZ 3.76Å; F378-F441 AromaticContact CZ-CE1 3.8Å; F378-F441 HydrophobicContact CZ-CE1 3.8Å; F378-F441 AromaticContact CZ-CZ 3.97Å; F378-F441 HydrophobicContact CZ-CZ 3.97Å
379	L	90.4	Very high	90.2	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-59.4	-35	179.3	-68.2	178.9	0	0	0	112.9	L341 F375 F376 N381 L382 F441 M445 L449	L341-L379 HydrophobicContact CD2-CD1 4.06Å; F375-L379 HydrophobicContact CD1-CD1 3.93Å; F375-L379 HydrophobicContact CD1-CG 4.12Å; F375-L379 HydrophobicContact CE1-CD1 3.79Å; F375-L379 HydrophobicContact CE1-CD2 4.01Å; F375-L379 HydrophobicContact CE1-CG 3.93Å; F375-L379 HydrophobicContact CZ-CD2 4.26Å; F375-L379 WeakPolarHBondContact O-CG 3.27Å; F375-L379 PolarHBondContact O-N 3.48Å; F376-L379 HydrophobicContact CD1-CD1 4.14Å; F376-L379 HydrophobicContact CE1-CD1 4.1Å; F376-L379 PolarHBondContact O-N 3.17Å; L379-N381 PolarHBondContact O-N 2.95Å; L379-N381 VanDerWaalsContact O-N 3.1Å; L379-L382 VanDerWaalsContact O-CB 3.31Å; L379-L382 WeakPolarHBondContact O-CB 3.49Å; L379-L382 PolarHBondContact O-N 2.96Å; L379-L382 VanDerWaalsContact O-N 3.08Å; L379-F441 HydrophobicContact CD2-CZ 4.08Å; L379-M445 HydrophobicContact CD1-SD 4.3Å; L379-M445 HydrophobicContact CD2-CB 4.31Å; L379-M445 HydrophobicContact CD2-CG 4.06Å; L379-M445 HydrophobicContact CD2-SD 3.92Å; L379-L449 WeakPolarHBondContact O-CD2 3.49Å
380	N	89.1	Confident	89.4	Confident	24 Å²	24	40 Å²	40	13%	0.128	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.8	173.6	-76	-5.8	0	0	0	113.8	L179 P182 F376 Q377 F378	L179-N380 PolarHBondContact O-ND2 3.38Å; P182-N380 WeakPolarHBondContact CB-O 3.41Å; P182-N380 WeakPolarHBondContact CD-O 3.31Å; F376-N380 PolarHBondContact O-N 2.92Å; F376-N380 VanDerWaalsContact O-N 3.14Å; Q377-N380 PolarHBondContact O-N 3.2Å; F378-N380 VanDerWaalsContact C-N 3.27Å; F378-N380 PolarHBondContact O-N 3.23Å
381	N	88.3	Confident	88.5	Confident	20 Å²	20	38.7 Å²	38.7	11%	0.107	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	24.4	175.4	-60.6	-93.7	0	0	0	112	P182 Q377 F378 L379 E383 D384 F385 T412	P182-N381 WeakPolarHBondContact CB-OD1 3.4Å; Q377-N381 PolarHBondContact O-ND2 3.38Å; F378-N381 CarbonylContact O-C 3.49Å; F378-N381 WeakPolarHBondContact O-CA 3.5Å; F378-N381 PolarHBondContact O-N 3.48Å; L379-N381 PolarHBondContact O-N 2.95Å; L379-N381 VanDerWaalsContact O-N 3.1Å; N381-E383 PolarHBondContact O-N 2.96Å; N381-E383 VanDerWaalsContact O-N 3.15Å; N381-D384 PolarHBondContact O-N 3.17Å; N381-F385 PolarHBondContact O-N 3.02Å; N381-T412 HydrophobicContact CB-CG2 3.61Å
382	L	88.6	Confident	87.5	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-59.9	-25.9	-176.6	-168.7	69.6	0	0	0	113.4	L379 F385 T386 F441 M445 K446 L449	L379-L382 VanDerWaalsContact O-CB 3.31Å; L379-L382 WeakPolarHBondContact O-CB 3.49Å; L379-L382 PolarHBondContact O-N 2.96Å; L379-L382 VanDerWaalsContact O-N 3.08Å; L382-F385 HydrophobicContact CD1-CD1 4.02Å; L382-T386 VanDerWaalsContact O-CB 3.27Å; L382-T386 WeakPolarHBondContact O-CB 3.06Å; L382-T386 PolarHBondContact O-N 2.99Å; L382-T386 PolarHBondContact O-OG1 2.92Å; L382-F441 HydrophobicContact CD1-CE1 3.94Å; L382-M445 HydrophobicContact CD1-CB 4.35Å; L382-M445 HydrophobicContact CD2-CB 3.71Å; L382-K446 HydrophobicContact CD2-CG 3.9Å; L382-L449 HydrophobicContact CB-CD1 3.87Å; L382-L449 HydrophobicContact CD2-CD1 4.14Å
383	E	86.5	Confident	86.5	Confident	150 Å²	150	41.9 Å²	41.9	70%	0.701	21%	0.209	S	C	*	.	H	α-helix	trans	-66.3	-50.7	176.5	-65.8	-172.6	174.2	0	0	111.9	N381 F385 T386 I387	N381-E383 PolarHBondContact O-N 2.96Å; N381-E383 VanDerWaalsContact O-N 3.15Å; E383-F385 VanDerWaalsContact C-N 3.31Å; E383-F385 PolarHBondContact O-N 2.81Å; E383-T386 WeakPolarHBondContact O-CA 3.41Å; E383-T386 WeakPolarHBondContact O-CB 3.44Å; E383-T386 PolarHBondContact O-N 3.02Å; E383-I387 WeakPolarHBondContact O-CG1 3.48Å; E383-I387 PolarHBondContact O-N 3.25Å
384	D	87.3	Confident	85.6	Confident	82 Å²	82	47.2 Å²	47.2	44%	0.439	23%	0.234	S	C	.	.	H	α-helix	trans	-62.8	-39.7	177.1	-66.1	-41.2	0	0	0	111.4	N381 I387 A388 A411	N381-D384 PolarHBondContact O-N 3.17Å; D384-I387 PolarHBondContact O-N 3.25Å; D384-A388 PolarHBondContact O-N 2.76Å; D384-A388 VanDerWaalsContact O-N 3.11Å; D384-A411 HydrophobicContact CB-CB 4.31Å
385	F	89.1	Confident	84.7	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.1	-40	171.3	177.1	-102	0	0	0	112.5	F378 N381 L382 E383 I387 A388 M389 F404 A407 V408 A411 F441 I442	F378-F385 HydrophobicContact CE2-CB 3.89Å; F378-F385 AromaticContact CE2-CD1 3.96Å; F378-F385 HydrophobicContact CE2-CD1 3.96Å; F378-F385 AromaticContact CE2-CD2 3.72Å; F378-F385 HydrophobicContact CE2-CD2 3.72Å; F378-F385 HydrophobicContact CE2-CE1 4.41Å; F378-F385 HydrophobicContact CE2-CE2 4.19Å; F378-F385 AromaticContact CE2-CG 3.58Å; F378-F385 HydrophobicContact CE2-CG 3.58Å; F378-F385 HydrophobicContact CZ-CD1 4.06Å; F378-F385 HydrophobicContact CZ-CD2 4.26Å; F378-F385 HydrophobicContact CZ-CE1 4.12Å; F378-F385 HydrophobicContact CZ-CE2 4.32Å; F378-F385 HydrophobicContact CZ-CG 4.12Å; F378-F385 HydrophobicContact CZ-CZ 4.26Å; N381-F385 PolarHBondContact O-N 3.02Å; L382-F385 HydrophobicContact CD1-CD1 4.02Å; E383-F385 VanDerWaalsContact C-N 3.31Å; E383-F385 PolarHBondContact O-N 2.81Å; F385-I387 VanDerWaalsContact C-N 3.32Å; F385-I387 PolarHBondContact O-N 3.38Å; F385-A388 PolarHBondContact O-N 2.86Å; F385-M389 HydrophobicContact CD1-CG 3.92Å; F385-M389 HydrophobicContact CD2-CG 4.23Å; F385-M389 HydrophobicContact CE1-CE 4.49Å; F385-M389 HydrophobicContact CE1-CG 3.51Å; F385-M389 HydrophobicContact CE1-SD 4.24Å; F385-M389 HydrophobicContact CE2-CG 3.85Å; F385-M389 HydrophobicContact CE2-SD 4.09Å; F385-M389 HydrophobicContact CG-CG 4.27Å; F385-M389 HydrophobicContact CZ-CE 4.22Å; F385-M389 HydrophobicContact CZ-CG 3.46Å; F385-M389 VanDerWaalsContact CZ-CG 3.46Å; F385-M389 HydrophobicContact CZ-SD 3.67Å; F385-M389 WeakPolarHBondContact O-CB 3.49Å; F385-M389 VanDerWaalsContact O-CG 3.24Å; F385-M389 WeakPolarHBondContact O-CG 3.32Å; F385-M389 PolarHBondContact O-N 3.25Å; F385-F404 HydrophobicContact CE1-CE2 4.19Å; F385-F404 HydrophobicContact CE2-CD2 4.29Å; F385-F404 HydrophobicContact CE2-CE2 4.28Å; F385-F404 AromaticContact CZ-CD2 3.65Å; F385-F404 HydrophobicContact CZ-CD2 3.65Å; F385-F404 AromaticContact CZ-CE2 3.51Å; F385-F404 HydrophobicContact CZ-CE2 3.51Å; F385-F404 HydrophobicContact CZ-CZ 4.32Å; F385-A407 HydrophobicContact CD2-CB 4.12Å; F385-A407 HydrophobicContact CE2-CB 3.69Å; F385-V408 HydrophobicContact CD2-CG2 4.02Å; F385-V408 HydrophobicContact CE2-CG2 3.68Å; F385-V408 HydrophobicContact CZ-CG2 4.47Å; F385-A411 HydrophobicContact CB-CB 4.17Å; F385-F441 HydrophobicContact CE1-CD1 4.06Å; F385-F441 AromaticContact CE1-CE1 3.98Å; F385-F441 HydrophobicContact CE1-CE1 3.98Å; F385-I442 HydrophobicContact CD1-CD1 4.38Å; F385-I442 HydrophobicContact CD1-CG1 4.49Å; F385-I442 HydrophobicContact CE1-CD1 4.17Å; F385-I442 HydrophobicContact CE1-CG1 4.22Å
386	T	87.4	Confident	83.4	Confident	7 Å²	7	56.9 Å²	56.9	4%	0.043	29%	0.285	C	S	.	.	H	α-helix	trans	-61.8	-40.9	176.5	-63.1	0	0	0	0	110.8	L382 E383 M389 Q390 I442	L382-T386 VanDerWaalsContact O-CB 3.27Å; L382-T386 WeakPolarHBondContact O-CB 3.06Å; L382-T386 PolarHBondContact O-N 2.99Å; L382-T386 PolarHBondContact O-OG1 2.92Å; E383-T386 WeakPolarHBondContact O-CA 3.41Å; E383-T386 WeakPolarHBondContact O-CB 3.44Å; E383-T386 PolarHBondContact O-N 3.02Å; T386-M389 PolarHBondContact O-N 3.11Å; T386-Q390 HydrophobicContact CG2-CG 4.34Å; T386-Q390 WeakPolarHBondContact O-CB 3.19Å; T386-Q390 VanDerWaalsContact O-CG 3.27Å; T386-Q390 WeakPolarHBondContact O-CG 3.19Å; T386-Q390 PolarHBondContact O-N 3.14Å; T386-I442 HydrophobicContact CG2-CG2 4.21Å; T386-I442 WeakPolarHBondContact OG1-CG2 3.01Å
387	I	84.8	Confident	82.3	Confident	108 Å²	108	64.6 Å²	64.6	55%	0.554	31%	0.314	S	S	*	.	H	α-helix	trans	-61.8	-45.4	176	-65.5	165.3	0	0	0	110.4	E383 D384 F385 M389 Q390	E383-I387 WeakPolarHBondContact O-CG1 3.48Å; E383-I387 PolarHBondContact O-N 3.25Å; D384-I387 PolarHBondContact O-N 3.25Å; F385-I387 VanDerWaalsContact C-N 3.32Å; F385-I387 PolarHBondContact O-N 3.38Å; I387-M389 PolarHBondContact O-N 2.79Å; I387-Q390 PolarHBondContact O-N 3Å
388	A	82.3	Confident	81.2	Confident	23 Å²	23	66.7 Å²	66.7	19%	0.19	33%	0.332	C	S	.	.	H	α-helix	trans	-61.2	-42.6	175.5	0	0	0	0	0	112.3	D384 F385 M391 Y392	D384-A388 PolarHBondContact O-N 2.76Å; D384-A388 VanDerWaalsContact O-N 3.11Å; F385-A388 PolarHBondContact O-N 2.86Å; A388-M391 WeakPolarHBondContact O-CB 3.42Å; A388-M391 PolarHBondContact O-N 3.41Å; A388-Y392 WeakPolarHBondContact O-CD2 3.4Å
389	M	81.7	Confident	80.7	Confident	4 Å²	4	66.8 Å²	66.8	2%	0.02	33%	0.332	C	S	.	.	H	α-helix	trans	-70.9	-32.6	179.7	-72	-71.2	-70.7	0	0	113.6	F385 T386 I387 M391 Y392 N393 V399 A407 I442	F385-M389 HydrophobicContact CD1-CG 3.92Å; F385-M389 HydrophobicContact CD2-CG 4.23Å; F385-M389 HydrophobicContact CE1-CE 4.49Å; F385-M389 HydrophobicContact CE1-CG 3.51Å; F385-M389 HydrophobicContact CE1-SD 4.24Å; F385-M389 HydrophobicContact CE2-CG 3.85Å; F385-M389 HydrophobicContact CE2-SD 4.09Å; F385-M389 HydrophobicContact CG-CG 4.27Å; F385-M389 HydrophobicContact CZ-CE 4.22Å; F385-M389 HydrophobicContact CZ-CG 3.46Å; F385-M389 VanDerWaalsContact CZ-CG 3.46Å; F385-M389 HydrophobicContact CZ-SD 3.67Å; F385-M389 WeakPolarHBondContact O-CB 3.49Å; F385-M389 VanDerWaalsContact O-CG 3.24Å; F385-M389 WeakPolarHBondContact O-CG 3.32Å; F385-M389 PolarHBondContact O-N 3.25Å; T386-M389 PolarHBondContact O-N 3.11Å; I387-M389 PolarHBondContact O-N 2.79Å; M389-M391 PolarHBondContact O-N 3.33Å; M389-Y392 PolarHBondContact O-N 3.3Å; M389-Y392 VanDerWaalsContact O-N 3.09Å; M389-N393 PolarHBondContact O-N 3.42Å; M389-N393 VanDerWaalsContact O-N 3.12Å; M389-V399 HydrophobicContact CE-CB 3.86Å; M389-V399 HydrophobicContact CE-CG1 3.83Å; M389-V399 HydrophobicContact CE-CG2 3.65Å; M389-V399 HydrophobicContact SD-CB 4.4Å; M389-V399 HydrophobicContact SD-CG1 3.89Å; M389-V399 HydrophobicContact SD-CG2 3.98Å; M389-A407 HydrophobicContact SD-CB 4.31Å; M389-I442 HydrophobicContact CB-CD1 3.83Å; M389-I442 HydrophobicContact CG-CD1 4.1Å
390	Q	80	Confident	80.5	Confident	82 Å²	82	67.1 Å²	67.1	38%	0.383	34%	0.338	S	S	.	.	H	α-helix	trans	-57.5	-35.9	174.3	-81.8	173	-6.6	0	0	111.9	T386 I387 Y392 N393 F394	T386-Q390 HydrophobicContact CG2-CG 4.34Å; T386-Q390 WeakPolarHBondContact O-CB 3.19Å; T386-Q390 VanDerWaalsContact O-CG 3.27Å; T386-Q390 WeakPolarHBondContact O-CG 3.19Å; T386-Q390 PolarHBondContact O-N 3.14Å; I387-Q390 PolarHBondContact O-N 3Å; Q390-Y392 VanDerWaalsContact C-N 3.33Å; Q390-Y392 PolarHBondContact O-N 2.88Å; Q390-N393 PolarHBondContact O-N 3.46Å; Q390-F394 WeakPolarHBondContact O-CD2 3.48Å; Q390-F394 PolarHBondContact O-N 3.42Å
391	M	75.2	Confident	80.6	Confident	127 Å²	127	68.2 Å²	68.2	63%	0.626	34%	0.342	S	S	*	.	H	α-helix	trans	-61.9	-37.7	176	-171.3	178.3	63.2	0	0	112.8	A388 M389 A395	A388-M391 WeakPolarHBondContact O-CB 3.42Å; A388-M391 PolarHBondContact O-N 3.41Å; M389-M391 PolarHBondContact O-N 3.33Å; M391-A395 PolarHBondContact O-N 3.35Å
392	Y	74.9	Confident	80.7	Confident	48 Å²	48	72.8 Å²	72.8	19%	0.188	37%	0.367	C	S	.	.	H	α-helix	trans	-70.6	-40.1	175.1	-69.6	-90.4	0	0	0	111.9	A388 M389 Q390 A395 H396 R397 V399 E403	A388-Y392 WeakPolarHBondContact O-CD2 3.4Å; M389-Y392 PolarHBondContact O-N 3.3Å; M389-Y392 VanDerWaalsContact O-N 3.09Å; Q390-Y392 VanDerWaalsContact C-N 3.33Å; Q390-Y392 PolarHBondContact O-N 2.88Å; Y392-A395 CarbonylContact O-C 3.52Å; Y392-A395 PolarHBondContact O-N 2.99Å; Y392-A395 VanDerWaalsContact O-N 3.11Å; Y392-H396 PolarHBondContact O-N 2.81Å; Y392-R397 PolarHBondContact O-N 2.91Å; Y392-V399 HydrophobicContact CD1-CG2 4.47Å; Y392-V399 HydrophobicContact CG-CG2 4.11Å; Y392-E403 HydrophobicContact CE1-CB 4.38Å; Y392-E403 HydrophobicContact CE1-CG 4.07Å
393	N	73.4	Confident	80.7	Confident	59 Å²	59	76.1 Å²	76.1	32%	0.316	38%	0.382	S	S	.	.	H	α-helix	trans	-61.6	-43.2	174.7	-67.8	-28.6	0	0	0	112.1	M389 Q390 A395 H396	M389-N393 PolarHBondContact O-N 3.42Å; M389-N393 VanDerWaalsContact O-N 3.12Å; Q390-N393 PolarHBondContact O-N 3.46Å; N393-A395 PolarHBondContact O-N 2.84Å; N393-H396 PolarHBondContact O-N 3.31Å
394	F	75.1	Confident	80.9	Confident	174 Å²	174	69 Å²	69	76%	0.763	35%	0.349	S	S	*	.	H	α-helix	trans	-63.3	-28.5	174.2	-81.5	-61.8	0	0	0	113	Q390 H396	Q390-F394 WeakPolarHBondContact O-CD2 3.48Å; Q390-F394 PolarHBondContact O-N 3.42Å; F394-H396 PolarHBondContact O-N 3.44Å
395	A	75.1	Confident	81.2	Confident	55 Å²	55	67.3 Å²	67.3	46%	0.455	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	2.7	173.6	0	0	0	0	0	113.6	M391 Y392 N393 R397	M391-A395 PolarHBondContact O-N 3.35Å; Y392-A395 CarbonylContact O-C 3.52Å; Y392-A395 PolarHBondContact O-N 2.99Å; Y392-A395 VanDerWaalsContact O-N 3.11Å; N393-A395 PolarHBondContact O-N 2.84Å; A395-R397 HydrophobicContact CB-CG 4.13Å; A395-R397 PolarHBondContact O-N 3.05Å
396	H	67.5	Low	81.2	Confident	181 Å²	181	74.7 Å²	74.7	84%	0.838	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	33.6	-171.5	-61.3	-68.8	0	0	0	113.7	Y392 N393 F394	Y392-H396 PolarHBondContact O-N 2.81Å; N393-H396 PolarHBondContact O-N 3.31Å; F394-H396 PolarHBondContact O-N 3.44Å
397	R	68.6	Low	81.3	Confident	173 Å²	173	74.6 Å²	74.6	65%	0.653	37%	0.369	S	S	*	.			trans	-100.8	124.8	175.6	-65.5	-174.6	-178.2	-170.1	-0.7	109.5	Y392 A395	Y392-R397 PolarHBondContact O-N 2.91Å; A395-R397 HydrophobicContact CB-CG 4.13Å; A395-R397 PolarHBondContact O-N 3.05Å
398	S	68.2	Low	81.7	Confident	75 Å²	75	69.4 Å²	69.4	52%	0.524	34%	0.342	S	S	.	.			trans	-75.3	148.9	167.4	39.8	0	0	0	0	110.4	K435	S398-K435 VanDerWaalsContact CB-CD 3.4Å; S398-K435 WeakPolarHBondContact OG-CD 3.36Å
399	V	80.9	Confident	82.1	Confident	1 Å²	1	73.7 Å²	73.7	1%	0.006	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-105.4	109.9	-165.2	176.7	0	0	0	0	109.8	M389 Y392 E403 F404 K435 L436	M389-V399 HydrophobicContact CE-CB 3.86Å; M389-V399 HydrophobicContact CE-CG1 3.83Å; M389-V399 HydrophobicContact CE-CG2 3.65Å; M389-V399 HydrophobicContact SD-CB 4.4Å; M389-V399 HydrophobicContact SD-CG1 3.89Å; M389-V399 HydrophobicContact SD-CG2 3.98Å; Y392-V399 HydrophobicContact CD1-CG2 4.47Å; Y392-V399 HydrophobicContact CG-CG2 4.11Å; V399-E403 HydrophobicContact CG1-CB 3.71Å; V399-F404 HydrophobicContact CG1-CB 4.03Å; V399-K435 WeakPolarHBondContact O-CA 3.44Å; V399-K435 WeakPolarHBondContact O-CB 3.37Å; V399-L436 PolarHBondContact O-N 2.67Å; V399-L436 VanDerWaalsContact O-N 3.07Å
400	G	87.3	Confident	82.5	Confident	14 Å²	14	78.7 Å²	78.7	14%	0.144	39%	0.385	C	S	.	.			trans	-78.9	178.7	173	0	0	0	0	0	112.6	D402 E403 F404	G400-D402 VanDerWaalsContact C-N 3.27Å; G400-D402 PolarHBondContact O-N 3.26Å; G400-E403 PolarHBondContact N-OE2 3.38Å; G400-E403 PolarHBondContact O-N 3.48Å; G400-F404 WeakPolarHBondContact O-CB 3.45Å; G400-F404 PolarHBondContact O-N 3.16Å
401	Q	90.9	Very high	82.8	Confident	47 Å²	47	75.9 Å²	75.9	22%	0.22	38%	0.376	C	S	.	.	H	α-helix	trans	-60.5	-34.8	-178.3	-63.3	-170.5	21	0	0	112.8	T405 V421 N422 F425	Q401-T405 VanDerWaalsContact O-CB 3.32Å; Q401-T405 WeakPolarHBondContact O-CB 3.4Å; Q401-T405 PolarHBondContact O-N 2.92Å; Q401-T405 PolarHBondContact O-OG1 2.88Å; Q401-V421 HydrophobicContact CB-CG1 3.95Å; Q401-V421 HydrophobicContact CG-CG1 4.19Å; Q401-N422 PolarHBondContact NE2-OD1 3.1Å; Q401-N422 VanDerWaalsContact NE2-OD1 3.16Å; Q401-F425 HydrophobicContact CB-CE1 4.36Å; Q401-F425 HydrophobicContact CB-CE2 4.47Å; Q401-F425 HydrophobicContact CB-CZ 4.25Å; Q401-F425 HydrophobicContact CG-CB 4.49Å; Q401-F425 HydrophobicContact CG-CD1 3.53Å; Q401-F425 HydrophobicContact CG-CD2 3.91Å; Q401-F425 HydrophobicContact CG-CE1 3.56Å; Q401-F425 HydrophobicContact CG-CE2 3.96Å; Q401-F425 HydrophobicContact CG-CG 3.72Å; Q401-F425 HydrophobicContact CG-CZ 3.8Å
402	D	89.6	Confident	83.5	Confident	117 Å²	117	71.3 Å²	71.3	63%	0.626	36%	0.355	S	S	*	.	H	α-helix	trans	-71.6	-44.6	178.6	-74.9	-27.6	0	0	0	112.5	G400 R406	G400-D402 VanDerWaalsContact C-N 3.27Å; G400-D402 PolarHBondContact O-N 3.26Å; D402-R406 VanDerWaalsContact O-CB 3.28Å; D402-R406 WeakPolarHBondContact O-CB 3.29Å; D402-R406 PolarHBondContact O-N 3.4Å
403	E	88.9	Confident	84.2	Confident	71 Å²	71	71.5 Å²	71.5	33%	0.332	37%	0.371	S	S	.	.	H	α-helix	trans	-64.2	-41.4	173.9	-70.9	72	-152.5	0	0	111.4	Y392 V399 G400 R406 A407	Y392-E403 HydrophobicContact CE1-CB 4.38Å; Y392-E403 HydrophobicContact CE1-CG 4.07Å; V399-E403 HydrophobicContact CG1-CB 3.71Å; G400-E403 PolarHBondContact N-OE2 3.38Å; G400-E403 PolarHBondContact O-N 3.48Å; E403-R406 PolarHBondContact O-N 3.17Å; E403-A407 VanDerWaalsContact O-CB 3.29Å; E403-A407 WeakPolarHBondContact O-CB 3.27Å; E403-A407 PolarHBondContact O-N 3.43Å
404	F	90.9	Very high	85	Confident	1 Å²	1	70.1 Å²	70.1	0%	0.004	36%	0.364	C	S	.	.	H	α-helix	trans	-60.3	-52.5	175.4	-179.2	-87.2	0	0	0	111.1	F378 F385 V399 G400 R406 A407 V408 L416 V421 V424 F425 L436 F441	F378-F404 AromaticContact CE1-CZ 4Å; F378-F404 HydrophobicContact CE1-CZ 4Å; F378-F404 HydrophobicContact CZ-CZ 4.02Å; F385-F404 HydrophobicContact CE1-CE2 4.19Å; F385-F404 HydrophobicContact CE2-CD2 4.29Å; F385-F404 HydrophobicContact CE2-CE2 4.28Å; F385-F404 AromaticContact CZ-CD2 3.65Å; F385-F404 HydrophobicContact CZ-CD2 3.65Å; F385-F404 AromaticContact CZ-CE2 3.51Å; F385-F404 HydrophobicContact CZ-CE2 3.51Å; F385-F404 HydrophobicContact CZ-CZ 4.32Å; V399-F404 HydrophobicContact CG1-CB 4.03Å; G400-F404 WeakPolarHBondContact O-CB 3.45Å; G400-F404 PolarHBondContact O-N 3.16Å; F404-R406 VanDerWaalsContact C-N 3.26Å; F404-R406 PolarHBondContact O-N 3Å; F404-A407 PolarHBondContact O-N 3.25Å; F404-A407 VanDerWaalsContact O-N 3.08Å; F404-V408 HydrophobicContact CD1-CG2 4.04Å; F404-V408 HydrophobicContact CE1-CG2 3.7Å; F404-V408 HydrophobicContact CZ-CG2 4.02Å; F404-V408 WeakPolarHBondContact O-CG2 3.24Å; F404-V408 PolarHBondContact O-N 2.63Å; F404-L416 HydrophobicContact CE1-CD1 4.14Å; F404-V421 HydrophobicContact CD1-CG1 3.91Å; F404-V421 HydrophobicContact CD1-CG2 4.33Å; F404-V421 HydrophobicContact CE1-CG1 4.46Å; F404-V421 HydrophobicContact CE1-CG2 4.42Å; F404-V424 HydrophobicContact CZ-CG1 4.37Å; F404-F425 HydrophobicContact CB-CE2 3.77Å; F404-F425 HydrophobicContact CB-CZ 3.72Å; F404-F425 AromaticContact CD1-CE2 4Å; F404-F425 HydrophobicContact CD1-CE2 4Å; F404-F425 HydrophobicContact CD2-CE2 4.02Å; F404-F425 HydrophobicContact CD2-CZ 4.41Å; F404-F425 AromaticContact CG-CE2 3.67Å; F404-F425 HydrophobicContact CG-CE2 3.67Å; F404-F425 HydrophobicContact CG-CZ 4.1Å; F404-L436 HydrophobicContact CD2-CD1 4.12Å; F404-L436 HydrophobicContact CE2-CD1 4.07Å; F404-F441 HydrophobicContact CE2-CD1 4.15Å; F404-F441 HydrophobicContact CE2-CE1 4.06Å; F404-F441 HydrophobicContact CE2-CZ 4.4Å; F404-F441 HydrophobicContact CZ-CE1 4.33Å; F404-F441 HydrophobicContact CZ-CZ 4.29Å
405	T	92.6	Very high	85.9	Confident	46 Å²	46	69.2 Å²	69.2	28%	0.282	36%	0.36	S	S	.	.	H	α-helix	trans	-57.3	-41.8	179	-58	0	0	0	0	111.3	Q401 Y409	Q401-T405 VanDerWaalsContact O-CB 3.32Å; Q401-T405 WeakPolarHBondContact O-CB 3.4Å; Q401-T405 PolarHBondContact O-N 2.92Å; Q401-T405 PolarHBondContact O-OG1 2.88Å; T405-Y409 WeakPolarHBondContact O-CB 3.46Å; T405-Y409 PolarHBondContact O-N 3.28Å; T405-Y409 VanDerWaalsContact O-N 3.08Å
406	R	89.9	Confident	86.8	Confident	156 Å²	156	67.3 Å²	67.3	59%	0.589	34%	0.341	S	S	*	.	H	α-helix	trans	-65.4	-43.6	175.6	-171.3	-171.9	-53.3	-102.7	-2.5	112.1	D402 E403 F404 Y409 V410	D402-R406 VanDerWaalsContact O-CB 3.28Å; D402-R406 WeakPolarHBondContact O-CB 3.29Å; D402-R406 PolarHBondContact O-N 3.4Å; E403-R406 PolarHBondContact O-N 3.17Å; F404-R406 VanDerWaalsContact C-N 3.26Å; F404-R406 PolarHBondContact O-N 3Å; R406-Y409 PolarHBondContact O-N 3.31Å; R406-V410 WeakPolarHBondContact O-CB 3.27Å; R406-V410 VanDerWaalsContact O-CG2 3.3Å; R406-V410 WeakPolarHBondContact O-CG2 3.48Å; R406-V410 PolarHBondContact O-N 3.14Å
407	A	89.8	Confident	88.2	Confident	4 Å²	4	60.3 Å²	60.3	3%	0.033	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-41.1	179.4	0	0	0	0	0	111.9	F385 M389 E403 F404 V410 A411	F385-A407 HydrophobicContact CD2-CB 4.12Å; F385-A407 HydrophobicContact CE2-CB 3.69Å; M389-A407 HydrophobicContact SD-CB 4.31Å; E403-A407 VanDerWaalsContact O-CB 3.29Å; E403-A407 WeakPolarHBondContact O-CB 3.27Å; E403-A407 PolarHBondContact O-N 3.43Å; F404-A407 PolarHBondContact O-N 3.25Å; F404-A407 VanDerWaalsContact O-N 3.08Å; A407-V410 PolarHBondContact O-N 3.07Å; A407-A411 WeakPolarHBondContact O-CB 3.26Å; A407-A411 PolarHBondContact O-N 3.2Å
408	V	92.2	Very high	89.3	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.1	-47.9	172.5	176.4	0	0	0	0	110.8	F378 F385 F404 V410 A411 T412 L416	F378-V408 HydrophobicContact CB-CG1 4.11Å; F378-V408 HydrophobicContact CD2-CB 4.33Å; F378-V408 HydrophobicContact CD2-CG1 3.69Å; F378-V408 HydrophobicContact CD2-CG2 3.92Å; F378-V408 HydrophobicContact CE1-CG2 4.25Å; F378-V408 HydrophobicContact CE2-CB 4.45Å; F378-V408 HydrophobicContact CE2-CG1 4.28Å; F378-V408 HydrophobicContact CE2-CG2 3.63Å; F378-V408 HydrophobicContact CG-CG1 3.86Å; F378-V408 HydrophobicContact CG-CG2 4.37Å; F378-V408 HydrophobicContact CZ-CG2 3.79Å; F385-V408 HydrophobicContact CD2-CG2 4.02Å; F385-V408 HydrophobicContact CE2-CG2 3.68Å; F385-V408 HydrophobicContact CZ-CG2 4.47Å; F404-V408 HydrophobicContact CD1-CG2 4.04Å; F404-V408 HydrophobicContact CE1-CG2 3.7Å; F404-V408 HydrophobicContact CZ-CG2 4.02Å; F404-V408 WeakPolarHBondContact O-CG2 3.24Å; F404-V408 PolarHBondContact O-N 2.63Å; V408-V410 PolarHBondContact O-N 2.85Å; V408-A411 PolarHBondContact O-N 3.34Å; V408-T412 WeakPolarHBondContact O-CB 3.35Å; V408-T412 PolarHBondContact O-N 2.84Å; V408-T412 PolarHBondContact O-OG1 2.68Å; V408-L416 HydrophobicContact CB-CD1 4.43Å; V408-L416 HydrophobicContact CG1-CD1 3.94Å; V408-L416 HydrophobicContact CG1-CG 3.95Å; V408-L416 HydrophobicContact CG2-CD1 4.16Å
409	Y	92.3	Very high	90.5	Very high	112 Å²	112	57.2 Å²	57.2	44%	0.439	30%	0.297	S	S	.	.	H	α-helix	trans	-63.4	-39.2	179.4	-178.8	-107.2	0	0	0	112.9	T405 R406 G413 I414 K415	T405-Y409 WeakPolarHBondContact O-CB 3.46Å; T405-Y409 PolarHBondContact O-N 3.28Å; T405-Y409 VanDerWaalsContact O-N 3.08Å; R406-Y409 PolarHBondContact O-N 3.31Å; Y409-G413 WeakPolarHBondContact CD2-O 3.25Å; Y409-G413 WeakPolarHBondContact CE2-O 3.46Å; Y409-G413 VanDerWaalsContact O-CA 3.23Å; Y409-G413 WeakPolarHBondContact O-CA 3.34Å; Y409-G413 PolarHBondContact O-N 3.1Å; Y409-I414 WeakPolarHBondContact CA-O 3.33Å; Y409-K415 HydrophobicContact CD2-CD 4.43Å; Y409-K415 HydrophobicContact CD2-CG 3.5Å; Y409-K415 HydrophobicContact CE2-CD 4.19Å; Y409-K415 HydrophobicContact CE2-CG 3.68Å; Y409-K415 HydrophobicContact CG-CG 4.48Å
410	V	88.9	Confident	91.1	Very high	109 Å²	109	57.1 Å²	57.1	66%	0.661	30%	0.297	S	S	*	.	H	α-helix	trans	-69.4	-39.2	177.1	169.4	0	0	0	0	112	R406 A407 V408	R406-V410 WeakPolarHBondContact O-CB 3.27Å; R406-V410 VanDerWaalsContact O-CG2 3.3Å; R406-V410 WeakPolarHBondContact O-CG2 3.48Å; R406-V410 PolarHBondContact O-N 3.14Å; A407-V410 PolarHBondContact O-N 3.07Å; V408-V410 PolarHBondContact O-N 2.85Å
411	A	87.4	Confident	91.5	Very high	24 Å²	24	56.5 Å²	56.5	20%	0.198	29%	0.29	C	S	.	.	H	α-helix	trans	-75.1	-30.9	-179.8	0	0	0	0	0	113.4	D384 F385 A407 V408	D384-A411 HydrophobicContact CB-CB 4.31Å; F385-A411 HydrophobicContact CB-CB 4.17Å; A407-A411 WeakPolarHBondContact O-CB 3.26Å; A407-A411 PolarHBondContact O-N 3.2Å; V408-A411 PolarHBondContact O-N 3.34Å
412	T	88.1	Confident	91.5	Very high	31 Å²	31	56.7 Å²	56.7	19%	0.19	29%	0.293	C	S	.	.	H	α-helix	trans	-128.4	-15.6	-166.3	69.7	0	0	0	0	115.5	F378 N381 V408 I414	F378-T412 HydrophobicContact CD2-CG2 4.15Å; N381-T412 HydrophobicContact CB-CG2 3.61Å; V408-T412 WeakPolarHBondContact O-CB 3.35Å; V408-T412 PolarHBondContact O-N 2.84Å; V408-T412 PolarHBondContact O-OG1 2.68Å; T412-I414 PolarHBondContact O-N 3.5Å; T412-I414 WeakPolarHBondContact OG1-CB 3.45Å; T412-I414 PolarHBondContact OG1-N 2.92Å; T412-I414 VanDerWaalsContact OG1-N 3.1Å
413	G	89.8	Confident	91.6	Very high	51 Å²	51	51.2 Å²	51.2	53%	0.526	26%	0.263	S	S	.	.	S	Bend	trans	73.1	-5.2	-167.9	0	0	0	0	0	114.9	Y409	Y409-G413 WeakPolarHBondContact CD2-O 3.25Å; Y409-G413 WeakPolarHBondContact CE2-O 3.46Å; Y409-G413 VanDerWaalsContact O-CA 3.23Å; Y409-G413 WeakPolarHBondContact O-CA 3.34Å; Y409-G413 PolarHBondContact O-N 3.1Å
414	I	91.8	Very high	91.7	Very high	30 Å²	30	47.8 Å²	47.8	15%	0.154	25%	0.248	C	C	.	.			trans	-82.3	135.9	-177.5	-56.1	173.6	0	0	0	109.9	Q377 F378 Y409 T412 L416	Q377-I414 HydrophobicContact CB-CD1 3.62Å; F378-I414 HydrophobicContact CB-CD1 4.48Å; Y409-I414 WeakPolarHBondContact CA-O 3.33Å; T412-I414 PolarHBondContact O-N 3.5Å; T412-I414 WeakPolarHBondContact OG1-CB 3.45Å; T412-I414 PolarHBondContact OG1-N 2.92Å; T412-I414 VanDerWaalsContact OG1-N 3.1Å; I414-L416 HydrophobicContact CG2-CD2 3.99Å
415	K	93.6	Very high	91.8	Very high	156 Å²	156	47.8 Å²	47.8	68%	0.678	25%	0.248	S	C	*	.			trans	-102.1	106	171.8	-64.6	-179.1	-176.8	177.4	0	109	Y409	Y409-K415 HydrophobicContact CD2-CD 4.43Å; Y409-K415 HydrophobicContact CD2-CG 3.5Å; Y409-K415 HydrophobicContact CE2-CD 4.19Å; Y409-K415 HydrophobicContact CE2-CG 3.68Å; Y409-K415 HydrophobicContact CG-CG 4.48Å
416	L	94.6	Very high	91.6	Very high	14 Å²	14	48.8 Å²	48.8	7%	0.073	25%	0.248	C	C	.	.			trans	-73.2	149.9	172.4	-57.3	-176.1	0	0	0	110.4	F375 F378 F404 V408 I414 L420 V421	F375-L416 HydrophobicContact CD2-CD1 3.99Å; F375-L416 HydrophobicContact CD2-CD2 4.48Å; F375-L416 HydrophobicContact CE2-CD1 4.28Å; F378-L416 HydrophobicContact CD1-CD1 4.33Å; F404-L416 HydrophobicContact CE1-CD1 4.14Å; V408-L416 HydrophobicContact CB-CD1 4.43Å; V408-L416 HydrophobicContact CG1-CD1 3.94Å; V408-L416 HydrophobicContact CG1-CG 3.95Å; V408-L416 HydrophobicContact CG2-CD1 4.16Å; I414-L416 HydrophobicContact CG2-CD2 3.99Å; L416-L420 HydrophobicContact CB-CD2 4.22Å; L416-L420 HydrophobicContact CD2-CD2 3.9Å; L416-L420 HydrophobicContact CG-CD2 4.44Å; L416-V421 HydrophobicContact CB-CG2 3.7Å; L416-V421 HydrophobicContact CD1-CG2 4.15Å
417	S	94.9	Very high	91.5	Very high	35 Å²	35	41.5 Å²	41.5	25%	0.245	22%	0.221	C	C	.	.			trans	-72.4	149.7	174	79.7	0	0	0	0	110.6	E371 H419 L420 V421	E371-S417 VanDerWaalsContact OE1-CB 3.24Å; E371-S417 WeakPolarHBondContact OE1-CB 3.34Å; E371-S417 PolarHBondContact OE1-OG 3.01Å; S417-H419 PolarHBondContact O-N 3.46Å; S417-L420 PolarHBondContact O-N 2.79Å; S417-L420 VanDerWaalsContact OG-CB 3.27Å; S417-L420 WeakPolarHBondContact OG-CB 3.39Å; S417-L420 PolarHBondContact OG-N 2.88Å; S417-V421 WeakPolarHBondContact O-CG2 3.38Å; S417-V421 PolarHBondContact O-N 3.03Å
418	H	93.1	Very high	91.4	Very high	143 Å²	143	41.3 Å²	41.3	66%	0.662	22%	0.219	S	C	*	.	H	α-helix	trans	-59.1	-34.1	174.3	179.9	-64.7	0	0	0	111.6	N422	H418-N422 VanDerWaalsContact O-CB 3.3Å; H418-N422 WeakPolarHBondContact O-CB 3.13Å; H418-N422 PolarHBondContact O-N 3.14Å
419	H	93.3	Very high	91.1	Very high	39 Å²	39	41.5 Å²	41.5	18%	0.181	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-53	175.7	172.4	37.1	0	0	0	110.9	E334 S417 V421 N422 T423	E334-H419 IonicContact OE1-CE1 2.68Å; E334-H419 PolarHBondContact OE1-CE1 3.11Å; E334-H419 IonicContact OE1-NE2 3.38Å; E334-H419 PolarHBondContact OE1-NE2 3.16Å; S417-H419 PolarHBondContact O-N 3.46Å; H419-V421 PolarHBondContact O-N 2.88Å; H419-N422 PolarHBondContact O-N 3.25Å; H419-T423 PolarHBondContact CE1-OG1 3.39Å; H419-T423 PolarHBondContact O-N 3.12Å; H419-T423 PolarHBondContact O-OG1 3.42Å; H419-T423 VanDerWaalsContact O-OG1 3.09Å
420	L	93.9	Very high	90.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-44.3	179.5	176.3	65	0	0	0	112.3	F337 I367 E371 F375 L416 S417 T423 V424	F337-L420 HydrophobicContact CE1-CD1 3.79Å; F337-L420 HydrophobicContact CE2-CD1 4.36Å; F337-L420 HydrophobicContact CZ-CD1 3.57Å; I367-L420 HydrophobicContact CD1-CD1 4.24Å; E371-L420 HydrophobicContact CB-CD2 4.21Å; F375-L420 HydrophobicContact CB-CD1 4.43Å; F375-L420 HydrophobicContact CB-CD2 4Å; F375-L420 HydrophobicContact CD2-CD1 4.32Å; F375-L420 HydrophobicContact CD2-CD2 4.09Å; F375-L420 HydrophobicContact CD2-CG 4.25Å; F375-L420 HydrophobicContact CG-CD1 4.42Å; F375-L420 HydrophobicContact CG-CD2 4.43Å; L416-L420 HydrophobicContact CB-CD2 4.22Å; L416-L420 HydrophobicContact CD2-CD2 3.9Å; L416-L420 HydrophobicContact CG-CD2 4.44Å; S417-L420 PolarHBondContact O-N 2.79Å; S417-L420 VanDerWaalsContact OG-CB 3.27Å; S417-L420 WeakPolarHBondContact OG-CB 3.39Å; S417-L420 PolarHBondContact OG-N 2.88Å; L420-T423 PolarHBondContact O-N 3.31Å; L420-V424 HydrophobicContact CD1-CG2 4.44Å; L420-V424 VanDerWaalsContact O-CG2 3.26Å; L420-V424 WeakPolarHBondContact O-CG2 3.28Å; L420-V424 PolarHBondContact O-N 3.24Å
421	V	94.1	Very high	90.1	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-62.8	-46	177.4	174.8	0	0	0	0	110.9	Q401 F404 L416 S417 H419 T423 V424 F425	Q401-V421 HydrophobicContact CB-CG1 3.95Å; Q401-V421 HydrophobicContact CG-CG1 4.19Å; F404-V421 HydrophobicContact CD1-CG1 3.91Å; F404-V421 HydrophobicContact CD1-CG2 4.33Å; F404-V421 HydrophobicContact CE1-CG1 4.46Å; F404-V421 HydrophobicContact CE1-CG2 4.42Å; L416-V421 HydrophobicContact CB-CG2 3.7Å; L416-V421 HydrophobicContact CD1-CG2 4.15Å; S417-V421 WeakPolarHBondContact O-CG2 3.38Å; S417-V421 PolarHBondContact O-N 3.03Å; H419-V421 PolarHBondContact O-N 2.88Å; V421-T423 VanDerWaalsContact C-N 3.33Å; V421-T423 PolarHBondContact O-N 2.85Å; V421-V424 PolarHBondContact O-N 3.28Å; V421-F425 HydrophobicContact CG1-CD2 4.04Å; V421-F425 HydrophobicContact CG1-CE2 3.9Å; V421-F425 VanDerWaalsContact O-CD2 3.26Å; V421-F425 WeakPolarHBondContact O-CD2 3.17Å; V421-F425 PolarHBondContact O-N 2.98Å
422	N	91.9	Very high	89.9	Confident	51 Å²	51	45 Å²	45	27%	0.273	23%	0.232	S	C	.	.	H	α-helix	trans	-61.6	-41	176.3	-179.9	76.6	0	0	0	112.1	Q401 H418 H419 F425 K426	Q401-N422 PolarHBondContact NE2-OD1 3.1Å; Q401-N422 VanDerWaalsContact NE2-OD1 3.16Å; H418-N422 VanDerWaalsContact O-CB 3.3Å; H418-N422 WeakPolarHBondContact O-CB 3.13Å; H418-N422 PolarHBondContact O-N 3.14Å; H419-N422 PolarHBondContact O-N 3.25Å; N422-F425 PolarHBondContact O-N 3.42Å; N422-K426 WeakPolarHBondContact O-CG 3.49Å; N422-K426 PolarHBondContact O-N 3.41Å
423	T	91.9	Very high	89.7	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-42.8	175	-61.5	0	0	0	0	111.7	E334 F337 I361 I367 H419 L420 V421 F425 K426 I427	E334-T423 HydrophobicContact CB-CG2 3.85Å; E334-T423 HydrophobicContact CG-CG2 3.81Å; F337-T423 HydrophobicContact CD1-CG2 4.22Å; I361-T423 HydrophobicContact CD1-CG2 3.86Å; I367-T423 HydrophobicContact CD1-CG2 4.17Å; H419-T423 PolarHBondContact CE1-OG1 3.39Å; H419-T423 PolarHBondContact O-N 3.12Å; H419-T423 PolarHBondContact O-OG1 3.42Å; H419-T423 VanDerWaalsContact O-OG1 3.09Å; L420-T423 PolarHBondContact O-N 3.31Å; V421-T423 VanDerWaalsContact C-N 3.33Å; V421-T423 PolarHBondContact O-N 2.85Å; T423-F425 PolarHBondContact O-N 3.28Å; T423-K426 CarbonylContact O-C 3.4Å; T423-K426 PolarHBondContact O-N 2.91Å; T423-I427 HydrophobicContact CG2-CD1 3.97Å; T423-I427 VanDerWaalsContact O-CG1 3.27Å; T423-I427 WeakPolarHBondContact O-CG1 3.06Å; T423-I427 PolarHBondContact O-N 2.98Å
424	V	91.7	Very high	89.3	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.3	-43.3	175.6	170.5	0	0	0	0	111.2	F337 F375 F404 L420 V421 I427 F428 L436 F441	F337-V424 HydrophobicContact CE1-CG2 4.17Å; F375-V424 HydrophobicContact CD2-CG2 4.19Å; F375-V424 HydrophobicContact CE1-CG2 4.39Å; F375-V424 HydrophobicContact CE2-CB 4.49Å; F375-V424 HydrophobicContact CE2-CG1 4.34Å; F375-V424 HydrophobicContact CE2-CG2 3.45Å; F375-V424 VanDerWaalsContact CE2-CG2 3.45Å; F375-V424 HydrophobicContact CZ-CG1 4.17Å; F375-V424 HydrophobicContact CZ-CG2 3.56Å; F404-V424 HydrophobicContact CZ-CG1 4.37Å; L420-V424 HydrophobicContact CD1-CG2 4.44Å; L420-V424 VanDerWaalsContact O-CG2 3.26Å; L420-V424 WeakPolarHBondContact O-CG2 3.28Å; L420-V424 PolarHBondContact O-N 3.24Å; V421-V424 PolarHBondContact O-N 3.28Å; V424-I427 PolarHBondContact O-N 3.43Å; V424-F428 HydrophobicContact CG1-CD2 3.99Å; V424-F428 HydrophobicContact CG1-CE2 4.32Å; V424-F428 VanDerWaalsContact O-CD2 3.28Å; V424-F428 WeakPolarHBondContact O-CD2 2.98Å; V424-F428 PolarHBondContact O-N 3.22Å; V424-F428 VanDerWaalsContact O-N 3.14Å; V424-L436 HydrophobicContact CG1-CD1 4.36Å; V424-F441 HydrophobicContact CG1-CD2 4.15Å; V424-F441 HydrophobicContact CG1-CE2 3.82Å
425	F	90.9	Very high	89	Confident	1 Å²	1	47.9 Å²	47.9	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-60.5	-49.2	174	-83.5	-123.2	0	0	0	110.2	Q401 F404 V421 N422 T423 I427 F428 D429 G434 L436	Q401-F425 HydrophobicContact CB-CE1 4.36Å; Q401-F425 HydrophobicContact CB-CE2 4.47Å; Q401-F425 HydrophobicContact CB-CZ 4.25Å; Q401-F425 HydrophobicContact CG-CB 4.49Å; Q401-F425 HydrophobicContact CG-CD1 3.53Å; Q401-F425 HydrophobicContact CG-CD2 3.91Å; Q401-F425 HydrophobicContact CG-CE1 3.56Å; Q401-F425 HydrophobicContact CG-CE2 3.96Å; Q401-F425 HydrophobicContact CG-CG 3.72Å; Q401-F425 HydrophobicContact CG-CZ 3.8Å; F404-F425 HydrophobicContact CB-CE2 3.77Å; F404-F425 HydrophobicContact CB-CZ 3.72Å; F404-F425 AromaticContact CD1-CE2 4Å; F404-F425 HydrophobicContact CD1-CE2 4Å; F404-F425 HydrophobicContact CD2-CE2 4.02Å; F404-F425 HydrophobicContact CD2-CZ 4.41Å; F404-F425 AromaticContact CG-CE2 3.67Å; F404-F425 HydrophobicContact CG-CE2 3.67Å; F404-F425 HydrophobicContact CG-CZ 4.1Å; V421-F425 HydrophobicContact CG1-CD2 4.04Å; V421-F425 HydrophobicContact CG1-CE2 3.9Å; V421-F425 VanDerWaalsContact O-CD2 3.26Å; V421-F425 WeakPolarHBondContact O-CD2 3.17Å; V421-F425 PolarHBondContact O-N 2.98Å; N422-F425 PolarHBondContact O-N 3.42Å; T423-F425 PolarHBondContact O-N 3.28Å; F425-I427 PolarHBondContact O-N 3.09Å; F425-I427 VanDerWaalsContact O-N 3.07Å; F425-F428 PolarHBondContact O-N 3.28Å; F425-F428 VanDerWaalsContact O-N 3.1Å; F425-D429 WeakPolarHBondContact O-CB 3.41Å; F425-D429 PolarHBondContact O-N 3.24Å; F425-G434 WeakPolarHBondContact CD1-O 3.49Å; F425-L436 HydrophobicContact CD1-CD1 4.41Å; F425-L436 HydrophobicContact CD1-CG 3.95Å; F425-L436 HydrophobicContact CD2-CD1 3.53Å; F425-L436 HydrophobicContact CD2-CG 3.99Å; F425-L436 HydrophobicContact CE1-CB 4.49Å; F425-L436 HydrophobicContact CE1-CD1 4.31Å; F425-L436 HydrophobicContact CE1-CG 3.89Å; F425-L436 HydrophobicContact CE2-CD1 3.39Å; F425-L436 HydrophobicContact CE2-CG 3.91Å; F425-L436 HydrophobicContact CG-CD1 4.05Å; F425-L436 HydrophobicContact CG-CG 4.01Å; F425-L436 HydrophobicContact CZ-CB 4.37Å; F425-L436 HydrophobicContact CZ-CD1 3.81Å; F425-L436 HydrophobicContact CZ-CG 3.85Å
426	K	88.9	Confident	88.6	Confident	67 Å²	67	40.6 Å²	40.6	29%	0.291	21%	0.208	S	C	.	.	H	α-helix	trans	-63.6	-13.8	177.1	-66.5	-46.2	-171.7	-176.5	0	115.9	I361 N422 T423	I361-K426 HydrophobicContact CD1-CB 4.04Å; I361-K426 HydrophobicContact CG1-CB 4.12Å; I361-K426 HydrophobicContact CG1-CG 4.36Å; N422-K426 WeakPolarHBondContact O-CG 3.49Å; N422-K426 PolarHBondContact O-N 3.41Å; T423-K426 CarbonylContact O-C 3.4Å; T423-K426 PolarHBondContact O-N 2.91Å
427	I	88.1	Confident	87.9	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-84.3	-45	170.4	-66.3	160.6	0	0	0	111.2	F337 A338 L341 Y353 V357 T423 V424 F425	F337-I427 HydrophobicContact CD1-CD1 3.97Å; F337-I427 HydrophobicContact CE1-CD1 4.2Å; A338-I427 HydrophobicContact CB-CD1 3.77Å; A338-I427 HydrophobicContact CB-CG1 3.92Å; A338-I427 HydrophobicContact CB-CG2 4.46Å; L341-I427 HydrophobicContact CD1-CD1 4.24Å; Y353-I427 HydrophobicContact CD1-CG2 4.1Å; Y353-I427 WeakPolarHBondContact CD1-O 3.11Å; Y353-I427 WeakPolarHBondContact CE1-O 3.29Å; V357-I427 HydrophobicContact CG2-CB 4.32Å; V357-I427 HydrophobicContact CG2-CG1 3.54Å; T423-I427 HydrophobicContact CG2-CD1 3.97Å; T423-I427 VanDerWaalsContact O-CG1 3.27Å; T423-I427 WeakPolarHBondContact O-CG1 3.06Å; T423-I427 PolarHBondContact O-N 2.98Å; V424-I427 PolarHBondContact O-N 3.43Å; F425-I427 PolarHBondContact O-N 3.09Å; F425-I427 VanDerWaalsContact O-N 3.07Å
428	F	86.9	Confident	87	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-106.8	-10.1	-167.2	-62.1	-75.2	0	0	0	115.6	L341 L342 Y353 V424 F425 E430 L436 E440 F441 V444 M445	L341-F428 HydrophobicContact CD1-CE2 4.17Å; L341-F428 HydrophobicContact CD1-CZ 4.38Å; L342-F428 HydrophobicContact CD2-CE1 3.97Å; L342-F428 HydrophobicContact CD2-CZ 4.37Å; Y353-F428 AromaticContact CE1-CD1 3.81Å; Y353-F428 HydrophobicContact CE1-CD1 3.81Å; Y353-F428 HydrophobicContact CE1-CE1 4.19Å; V424-F428 HydrophobicContact CG1-CD2 3.99Å; V424-F428 HydrophobicContact CG1-CE2 4.32Å; V424-F428 VanDerWaalsContact O-CD2 3.28Å; V424-F428 WeakPolarHBondContact O-CD2 2.98Å; V424-F428 PolarHBondContact O-N 3.22Å; V424-F428 VanDerWaalsContact O-N 3.14Å; F425-F428 PolarHBondContact O-N 3.28Å; F425-F428 VanDerWaalsContact O-N 3.1Å; F428-E430 PolarHBondContact O-N 3.07Å; F428-L436 HydrophobicContact CB-CD2 3.68Å; F428-E440 VanDerWaalsContact O-CB 3.28Å; F428-E440 WeakPolarHBondContact O-CB 3.05Å; F428-E440 WeakPolarHBondContact O-CG 3.37Å; F428-F441 AromaticContact CD2-CD2 3.72Å; F428-F441 HydrophobicContact CD2-CD2 3.72Å; F428-F441 HydrophobicContact CD2-CE2 4.14Å; F428-F441 HydrophobicContact CE2-CD2 4.06Å; F428-F441 HydrophobicContact CE2-CE2 4.08Å; F428-F441 HydrophobicContact CG-CD2 4.11Å; F428-V444 HydrophobicContact CE1-CB 4.39Å; F428-V444 HydrophobicContact CE1-CG1 3.99Å; F428-M445 HydrophobicContact CE1-CE 3.76Å; F428-M445 HydrophobicContact CE2-CE 4.45Å; F428-M445 HydrophobicContact CZ-CE 3.46Å; F428-M445 VanDerWaalsContact CZ-CE 3.46Å; F428-M445 HydrophobicContact CZ-SD 4.28Å
429	D	86.6	Confident	86.3	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.021	23%	0.225	C	C	.	.			trans	-74	85.1	175.3	-179.7	7.8	0	0	0	109.9	F425 H432 D433 G434	F425-D429 WeakPolarHBondContact O-CB 3.41Å; F425-D429 PolarHBondContact O-N 3.24Å; D429-H432 PolarHBondContact O-CE1 2.91Å; D429-H432 PolarHBondContact O-ND1 3.37Å; D429-H432 WeakPolarHBondContact OD1-CA 3.14Å; D429-H432 PolarHBondContact OD1-N 3.26Å; D429-D433 PolarHBondContact OD1-N 3.12Å; D429-D433 VanDerWaalsContact OD1-N 3.16Å; D429-G434 WeakPolarHBondContact OD2-CA 3.36Å; D429-G434 PolarHBondContact OD2-N 2.81Å
430	E	79.6	Confident	85.6	Confident	98 Å²	98	43.3 Å²	43.3	46%	0.458	22%	0.22	S	C	.	.	S	Bend	trans	-74.9	-33.8	-176.1	-74.4	-174.2	171.2	0	0	112.4	Y353 F428 E440	Y353-E430 PolarHBondContact OH-OE1 3.4Å; F428-E430 PolarHBondContact O-N 3.07Å; E430-E440 PolarHBondContact N-OE1 2.85Å
431	D	81.6	Confident	85.2	Confident	108 Å²	108	43.5 Å²	43.5	58%	0.578	22%	0.221	S	C	*	.	S	Bend	trans	-91.8	-6.6	-179.4	75.2	5.3	0	0	0	114.2	D433	D431-D433 VanDerWaalsContact C-N 3.27Å; D431-D433 PolarHBondContact O-N 3.19Å; D431-D433 VanDerWaalsContact OD1-CB 3.29Å; D431-D433 WeakPolarHBondContact OD1-CB 3.43Å; D431-D433 PolarHBondContact OD1-N 3.31Å
432	H	82.1	Confident	84.7	Confident	113 Å²	113	43.5 Å²	43.5	52%	0.523	22%	0.22	S	C	.	.			trans	63.1	26	179.1	-55.1	-24.8	0	0	0	113.8	D429 G434	D429-H432 PolarHBondContact O-CE1 2.91Å; D429-H432 PolarHBondContact O-ND1 3.37Å; D429-H432 WeakPolarHBondContact OD1-CA 3.14Å; D429-H432 PolarHBondContact OD1-N 3.26Å; H432-G434 PolarHBondContact O-N 2.55Å
433	D	83.8	Confident	84.1	Confident	70 Å²	70	42.7 Å²	42.7	37%	0.374	22%	0.224	S	C	.	.	S	Bend	trans	-76.9	-6.5	176.1	103.1	-29.2	0	0	0	113.9	D429 D431 K435	D429-D433 PolarHBondContact OD1-N 3.12Å; D429-D433 VanDerWaalsContact OD1-N 3.16Å; D431-D433 VanDerWaalsContact C-N 3.27Å; D431-D433 PolarHBondContact O-N 3.19Å; D431-D433 VanDerWaalsContact OD1-CB 3.29Å; D431-D433 WeakPolarHBondContact OD1-CB 3.43Å; D431-D433 PolarHBondContact OD1-N 3.31Å; D433-K435 WeakPolarHBondContact OD1-CA 3.39Å; D433-K435 WeakPolarHBondContact OD1-CB 3.44Å; D433-K435 VanDerWaalsContact OD1-CG 3.27Å; D433-K435 WeakPolarHBondContact OD1-CG 3.35Å; D433-K435 PolarHBondContact OD1-N 3.25Å; D433-K435 WeakPolarHBondContact OD2-CD 3.42Å; D433-K435 WeakPolarHBondContact OD2-CE 3.27Å; D433-K435 IonicContact OD2-NZ 2.86Å; D433-K435 PolarHBondContact OD2-NZ 3.27Å
434	G	82.5	Confident	83.5	Confident	34 Å²	34	43.6 Å²	43.6	35%	0.351	23%	0.23	S	C	.	.	S	Bend	trans	82.8	14.2	178.8	0	0	0	0	0	114.4	F425 D429 H432	F425-G434 WeakPolarHBondContact CD1-O 3.49Å; D429-G434 WeakPolarHBondContact OD2-CA 3.36Å; D429-G434 PolarHBondContact OD2-N 2.81Å; H432-G434 PolarHBondContact O-N 2.55Å
435	K	85.5	Confident	83.2	Confident	68 Å²	68	43.6 Å²	43.6	30%	0.296	23%	0.23	S	C	.	.	S	Bend	trans	-126.6	176.7	-177	-47.3	176.7	-156.9	120.3	0	109.6	S398 V399 D433	S398-K435 VanDerWaalsContact CB-CD 3.4Å; S398-K435 WeakPolarHBondContact OG-CD 3.36Å; V399-K435 WeakPolarHBondContact O-CA 3.44Å; V399-K435 WeakPolarHBondContact O-CB 3.37Å; D433-K435 WeakPolarHBondContact OD1-CA 3.39Å; D433-K435 WeakPolarHBondContact OD1-CB 3.44Å; D433-K435 VanDerWaalsContact OD1-CG 3.27Å; D433-K435 WeakPolarHBondContact OD1-CG 3.35Å; D433-K435 PolarHBondContact OD1-N 3.25Å; D433-K435 WeakPolarHBondContact OD2-CD 3.42Å; D433-K435 WeakPolarHBondContact OD2-CE 3.27Å; D433-K435 IonicContact OD2-NZ 2.86Å; D433-K435 PolarHBondContact OD2-NZ 3.27Å
436	L	84.2	Confident	82.6	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.021	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-126.4	119	172.9	-70.5	177.9	0	0	0	110.6	V399 F404 V424 F425 F428 F441	V399-L436 PolarHBondContact O-N 2.67Å; V399-L436 VanDerWaalsContact O-N 3.07Å; F404-L436 HydrophobicContact CD2-CD1 4.12Å; F404-L436 HydrophobicContact CE2-CD1 4.07Å; V424-L436 HydrophobicContact CG1-CD1 4.36Å; F425-L436 HydrophobicContact CD1-CD1 4.41Å; F425-L436 HydrophobicContact CD1-CG 3.95Å; F425-L436 HydrophobicContact CD2-CD1 3.53Å; F425-L436 HydrophobicContact CD2-CG 3.99Å; F425-L436 HydrophobicContact CE1-CB 4.49Å; F425-L436 HydrophobicContact CE1-CD1 4.31Å; F425-L436 HydrophobicContact CE1-CG 3.89Å; F425-L436 HydrophobicContact CE2-CD1 3.39Å; F425-L436 HydrophobicContact CE2-CG 3.91Å; F425-L436 HydrophobicContact CG-CD1 4.05Å; F425-L436 HydrophobicContact CG-CG 4.01Å; F425-L436 HydrophobicContact CZ-CB 4.37Å; F425-L436 HydrophobicContact CZ-CD1 3.81Å; F425-L436 HydrophobicContact CZ-CG 3.85Å; F428-L436 HydrophobicContact CB-CD2 3.68Å; L436-F441 HydrophobicContact CB-CB 4.46Å; L436-F441 HydrophobicContact CD1-CB 4.23Å; L436-F441 HydrophobicContact CD1-CD2 4.41Å; L436-F441 HydrophobicContact CD1-CG 4.34Å
437	S	79.9	Confident	81.7	Confident	50 Å²	50	46 Å²	46	35%	0.35	24%	0.242	S	C	.	.			trans	-75.1	161	167.5	79.5	0	0	0	0	111.4	K439 E440 F441	S437-K439 PolarHBondContact O-N 3.44Å; S437-K439 PolarHBondContact OG-N 2.95Å; S437-E440 WeakPolarHBondContact CA-OE2 3.35Å; S437-E440 WeakPolarHBondContact CB-OE2 3.4Å; S437-E440 PolarHBondContact N-OE2 3.34Å; S437-E440 VanDerWaalsContact OG-CD 3.31Å; S437-E440 PolarHBondContact OG-N 3.26Å; S437-E440 PolarHBondContact OG-OE2 3.05Å; S437-F441 PolarHBondContact O-N 3.16Å
438	H	76.4	Confident	80.9	Confident	56 Å²	56	46.6 Å²	46.6	26%	0.259	24%	0.244	S	C	.	.	I	π-helix	trans	-62.2	-26	171.7	179.1	-64.7	0	0	0	112.3	I442 G443	H438-I442 HydrophobicContact CB-CD1 4.49Å; H438-I442 WeakPolarHBondContact O-CB 3.02Å; H438-I442 PolarHBondContact O-N 2.9Å; H438-G443 PolarHBondContact O-N 2.94Å
439	K	78	Confident	79.7	Confident	164 Å²	164	48.4 Å²	48.4	71%	0.713	25%	0.253	S	S	*	.	I	π-helix	trans	-73.3	-48.7	-179	-173	-168.4	168.6	-147.4	0	110.8	S437 G443	S437-K439 PolarHBondContact O-N 3.44Å; S437-K439 PolarHBondContact OG-N 2.95Å; K439-G443 WeakPolarHBondContact O-CA 3.39Å; K439-G443 PolarHBondContact O-N 2.58Å
440	E	80.1	Confident	78.5	Confident	17 Å²	17	52.7 Å²	52.7	8%	0.079	27%	0.273	C	S	.	.	I	π-helix	trans	-62.8	-53.3	-177.9	-72.5	153.4	141.6	0	0	112.3	F428 E430 S437 V444	F428-E440 VanDerWaalsContact O-CB 3.28Å; F428-E440 WeakPolarHBondContact O-CB 3.05Å; F428-E440 WeakPolarHBondContact O-CG 3.37Å; E430-E440 PolarHBondContact N-OE1 2.85Å; S437-E440 WeakPolarHBondContact CA-OE2 3.35Å; S437-E440 WeakPolarHBondContact CB-OE2 3.4Å; S437-E440 PolarHBondContact N-OE2 3.34Å; S437-E440 VanDerWaalsContact OG-CD 3.31Å; S437-E440 PolarHBondContact OG-N 3.26Å; S437-E440 PolarHBondContact OG-OE2 3.05Å; E440-V444 WeakPolarHBondContact O-CB 3.28Å; E440-V444 WeakPolarHBondContact O-CG2 3.44Å
441	F	84.9	Confident	77.8	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.018	26%	0.261	C	S	.	.	I	π-helix	trans	-90.2	-59.6	-175.3	-174	-103.4	0	0	0	113	F375 F378 L379 L382 F385 F404 V424 F428 L436 S437 G443 V444 M445	F375-F441 HydrophobicContact CZ-CE2 4.11Å; F375-F441 HydrophobicContact CZ-CZ 4.1Å; F378-F441 HydrophobicContact CE1-CE1 4.1Å; F378-F441 AromaticContact CE1-CZ 3.76Å; F378-F441 HydrophobicContact CE1-CZ 3.76Å; F378-F441 AromaticContact CZ-CE1 3.8Å; F378-F441 HydrophobicContact CZ-CE1 3.8Å; F378-F441 AromaticContact CZ-CZ 3.97Å; F378-F441 HydrophobicContact CZ-CZ 3.97Å; L379-F441 HydrophobicContact CD2-CZ 4.08Å; L382-F441 HydrophobicContact CD1-CE1 3.94Å; F385-F441 HydrophobicContact CE1-CD1 4.06Å; F385-F441 AromaticContact CE1-CE1 3.98Å; F385-F441 HydrophobicContact CE1-CE1 3.98Å; F404-F441 HydrophobicContact CE2-CD1 4.15Å; F404-F441 HydrophobicContact CE2-CE1 4.06Å; F404-F441 HydrophobicContact CE2-CZ 4.4Å; F404-F441 HydrophobicContact CZ-CE1 4.33Å; F404-F441 HydrophobicContact CZ-CZ 4.29Å; V424-F441 HydrophobicContact CG1-CD2 4.15Å; V424-F441 HydrophobicContact CG1-CE2 3.82Å; F428-F441 AromaticContact CD2-CD2 3.72Å; F428-F441 HydrophobicContact CD2-CD2 3.72Å; F428-F441 HydrophobicContact CD2-CE2 4.14Å; F428-F441 HydrophobicContact CE2-CD2 4.06Å; F428-F441 HydrophobicContact CE2-CE2 4.08Å; F428-F441 HydrophobicContact CG-CD2 4.11Å; L436-F441 HydrophobicContact CB-CB 4.46Å; L436-F441 HydrophobicContact CD1-CB 4.23Å; L436-F441 HydrophobicContact CD1-CD2 4.41Å; L436-F441 HydrophobicContact CD1-CG 4.34Å; S437-F441 PolarHBondContact O-N 3.16Å; F441-G443 PolarHBondContact O-N 2.88Å; F441-V444 PolarHBondContact O-N 3.41Å; F441-M445 HydrophobicContact CD2-CG 4Å; F441-M445 HydrophobicContact CE1-CG 4.18Å; F441-M445 HydrophobicContact CE2-CG 3.58Å; F441-M445 HydrophobicContact CE2-SD 4.35Å; F441-M445 HydrophobicContact CG-CG 4.46Å; F441-M445 HydrophobicContact CZ-CG 3.67Å; F441-M445 WeakPolarHBondContact O-CB 3.37Å; F441-M445 WeakPolarHBondContact O-CG 3.47Å; F441-M445 PolarHBondContact O-N 3.44Å
442	I	82.8	Confident	76.3	Confident	1 Å²	1	47 Å²	47	1%	0.005	25%	0.251	C	S	.	.	I	π-helix	trans	-71.2	-35.3	-171.6	-62.2	171.5	0	0	0	111.1	F385 T386 M389 H438 K446	F385-I442 HydrophobicContact CD1-CD1 4.38Å; F385-I442 HydrophobicContact CD1-CG1 4.49Å; F385-I442 HydrophobicContact CE1-CD1 4.17Å; F385-I442 HydrophobicContact CE1-CG1 4.22Å; T386-I442 HydrophobicContact CG2-CG2 4.21Å; T386-I442 WeakPolarHBondContact OG1-CG2 3.01Å; M389-I442 HydrophobicContact CB-CD1 3.83Å; M389-I442 HydrophobicContact CG-CD1 4.1Å; H438-I442 HydrophobicContact CB-CD1 4.49Å; H438-I442 WeakPolarHBondContact O-CB 3.02Å; H438-I442 PolarHBondContact O-N 2.9Å; I442-K446 HydrophobicContact CG2-CD 3.88Å; I442-K446 VanDerWaalsContact CG2-CE 3.47Å; I442-K446 HydrophobicContact CG2-CG 4.2Å; I442-K446 WeakPolarHBondContact O-CB 3.44Å; I442-K446 VanDerWaalsContact O-CG 3.25Å; I442-K446 WeakPolarHBondContact O-CG 3.35Å; I442-K446 PolarHBondContact O-N 2.71Å; I442-K446 VanDerWaalsContact O-N 3.1Å
443	G	78.9	Confident	74.7	Confident	34 Å²	34	42.7 Å²	42.7	35%	0.351	23%	0.232	S	C	.	.	I	π-helix	trans	-59.2	-48.7	174.3	0	0	0	0	0	112.2	H438 K439 F441	H438-G443 PolarHBondContact O-N 2.94Å; K439-G443 WeakPolarHBondContact O-CA 3.39Å; K439-G443 PolarHBondContact O-N 2.58Å; F441-G443 PolarHBondContact O-N 2.88Å
444	V	80.9	Confident	72.7	Confident	20 Å²	20	47.1 Å²	47.1	12%	0.121	24%	0.243	C	C	.	.	H	α-helix	trans	-73.3	-41.1	-178.1	-178.4	0	0	0	0	111.9	L342 T345 V347 F428 E440 F441	L342-V444 HydrophobicContact CD2-CG1 4.15Å; T345-V444 HydrophobicContact CG2-CG1 3.7Å; T345-V444 WeakPolarHBondContact CG2-O 3.12Å; V347-V444 HydrophobicContact CG2-CG1 3.7Å; V347-V444 HydrophobicContact CG2-CG2 4.26Å; F428-V444 HydrophobicContact CE1-CB 4.39Å; F428-V444 HydrophobicContact CE1-CG1 3.99Å; E440-V444 WeakPolarHBondContact O-CB 3.28Å; E440-V444 WeakPolarHBondContact O-CG2 3.44Å; F441-V444 PolarHBondContact O-N 3.41Å
445	M	84.5	Confident	70.6	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-75.4	-22.3	-178.1	-67.8	-63.2	98	0	0	114.7	T345 L379 L382 F428 F441 D447 R448 L449	T345-M445 HydrophobicContact CG2-CE 3.82Å; L379-M445 HydrophobicContact CD1-SD 4.3Å; L379-M445 HydrophobicContact CD2-CB 4.31Å; L379-M445 HydrophobicContact CD2-CG 4.06Å; L379-M445 HydrophobicContact CD2-SD 3.92Å; L382-M445 HydrophobicContact CD1-CB 4.35Å; L382-M445 HydrophobicContact CD2-CB 3.71Å; F428-M445 HydrophobicContact CE1-CE 3.76Å; F428-M445 HydrophobicContact CE2-CE 4.45Å; F428-M445 HydrophobicContact CZ-CE 3.46Å; F428-M445 VanDerWaalsContact CZ-CE 3.46Å; F428-M445 HydrophobicContact CZ-SD 4.28Å; F441-M445 HydrophobicContact CD2-CG 4Å; F441-M445 HydrophobicContact CE1-CG 4.18Å; F441-M445 HydrophobicContact CE2-CG 3.58Å; F441-M445 HydrophobicContact CE2-SD 4.35Å; F441-M445 HydrophobicContact CG-CG 4.46Å; F441-M445 HydrophobicContact CZ-CG 3.67Å; F441-M445 WeakPolarHBondContact O-CB 3.37Å; F441-M445 WeakPolarHBondContact O-CG 3.47Å; F441-M445 PolarHBondContact O-N 3.44Å; M445-D447 VanDerWaalsContact C-N 3.27Å; M445-D447 PolarHBondContact O-N 2.85Å; M445-R448 WeakPolarHBondContact O-CB 3.39Å; M445-R448 PolarHBondContact O-N 3.45Å; M445-L449 PolarHBondContact O-N 3.35Å
446	K	78.6	Confident	68	Low	80 Å²	80	49 Å²	49	35%	0.348	27%	0.272	S	S	.	.	H	α-helix	trans	-62.2	-35.3	174.3	-87.1	174.5	174.2	174.1	0	112.6	L382 I442 R448 H450	L382-K446 HydrophobicContact CD2-CG 3.9Å; I442-K446 HydrophobicContact CG2-CD 3.88Å; I442-K446 VanDerWaalsContact CG2-CE 3.47Å; I442-K446 HydrophobicContact CG2-CG 4.2Å; I442-K446 WeakPolarHBondContact O-CB 3.44Å; I442-K446 VanDerWaalsContact O-CG 3.25Å; I442-K446 WeakPolarHBondContact O-CG 3.35Å; I442-K446 PolarHBondContact O-N 2.71Å; I442-K446 VanDerWaalsContact O-N 3.1Å; K446-R448 VanDerWaalsContact C-N 3.35Å; K446-H450 PolarHBondContact O-CE1 2.89Å; K446-H450 PolarHBondContact O-ND1 2.58Å
447	D	70.3	Confident	65.6	Low	37 Å²	37	56.3 Å²	56.3	20%	0.198	30%	0.303	C	S	.	.	H	α-helix	trans	-69.2	-36.8	177.1	-75.9	17	0	0	0	111.3	Y344 N346 M445 L449 H450 R454	Y344-D447 CarbonylContact O-C 3.56Å; N346-D447 WeakPolarHBondContact CB-OD2 3.46Å; M445-D447 VanDerWaalsContact C-N 3.27Å; M445-D447 PolarHBondContact O-N 2.85Å; D447-L449 VanDerWaalsContact C-N 3.31Å; D447-L449 PolarHBondContact O-N 3.11Å; D447-H450 WeakPolarHBondContact O-CB 3.15Å; D447-H450 PolarHBondContact O-N 3.48Å; D447-R454 IonicContact OD1-CZ 3.77Å; D447-R454 IonicContact OD1-NH2 2.71Å; D447-R454 PolarHBondContact OD1-NH2 3.06Å; D447-R454 IonicContact OD2-CZ 3.33Å; D447-R454 IonicContact OD2-NH2 3.64Å; D447-R454 PolarHBondContact OD2-NH2 2.81Å
448	R	71.9	Confident	63.1	Low	15 Å²	15	57.8 Å²	57.8	6%	0.057	32%	0.319	C	S	.	.	H	α-helix	trans	-59.7	-36.3	178.1	-178.1	173.8	-171.1	72.2	8.7	113.5	I340 L341 Y344 T345 M445 K446 H450 R451	I340-R448 PolarHBondContact O-NH1 2.76Å; I340-R448 PolarHBondContact O-NH2 3.2Å; L341-R448 WeakPolarHBondContact O-CD 3.47Å; L341-R448 PolarHBondContact O-NH1 3.32Å; Y344-R448 WeakPolarHBondContact O-CA 3.15Å; T345-R448 HydrophobicContact CG2-CB 4.11Å; M445-R448 WeakPolarHBondContact O-CB 3.39Å; M445-R448 PolarHBondContact O-N 3.45Å; K446-R448 VanDerWaalsContact C-N 3.35Å; R448-H450 PolarHBondContact O-N 3.05Å; R448-H450 VanDerWaalsContact O-N 3.09Å; R448-R451 PolarHBondContact O-N 2.68Å
449	L	60	Low	60.8	Low	38 Å²	38	64.1 Å²	64.1	20%	0.199	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.7	177.1	-87.8	175.1	0	0	0	113.3	T180 L379 L382 M445 D447	T180-L449 VanDerWaalsContact CG2-O 3.28Å; T180-L449 WeakPolarHBondContact CG2-O 3.47Å; L379-L449 WeakPolarHBondContact O-CD2 3.49Å; L382-L449 HydrophobicContact CB-CD1 3.87Å; L382-L449 HydrophobicContact CD2-CD1 4.14Å; M445-L449 PolarHBondContact O-N 3.35Å; D447-L449 VanDerWaalsContact C-N 3.31Å; D447-L449 PolarHBondContact O-N 3.11Å
450	H	62.7	Low	58.6	Low	94 Å²	94	65.1 Å²	65.1	44%	0.435	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	1.9	178.4	-56.5	81.5	0	0	0	112.5	K446 D447 R448 G452 D453	K446-H450 PolarHBondContact O-CE1 2.89Å; K446-H450 PolarHBondContact O-ND1 2.58Å; D447-H450 WeakPolarHBondContact O-CB 3.15Å; D447-H450 PolarHBondContact O-N 3.48Å; R448-H450 PolarHBondContact O-N 3.05Å; R448-H450 VanDerWaalsContact O-N 3.09Å; H450-G452 VanDerWaalsContact C-N 3.25Å; H450-G452 PolarHBondContact O-N 2.69Å; H450-G452 VanDerWaalsContact O-N 3.08Å; H450-D453 HydrophobicContact CB-CB 4.04Å; H450-D453 WeakPolarHBondContact O-CB 3.38Å; H450-D453 PolarHBondContact O-N 3.26Å
451	R	64	Low	56.4	Low	51 Å²	51	73.5 Å²	73.5	19%	0.192	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.4	40	176	-71.5	-170.5	174.5	-108.5	4.3	114.9	T180 E321 Y344 R448	T180-R451 HydrophobicContact CG2-CG 4.31Å; E321-R451 IonicContact OE1-CZ 2.67Å; E321-R451 IonicContact OE1-NH1 3.95Å; E321-R451 PolarHBondContact OE1-NH1 3Å; E321-R451 IonicContact OE1-NH2 2.88Å; Y344-R451 HydrophobicContact CD1-CB 4.49Å; Y344-R451 WeakPolarHBondContact CD1-O 3.29Å; R448-R451 PolarHBondContact O-N 2.68Å
452	G	51.3	Low	54	Low	36 Å²	36	82.2 Å²	82.2	37%	0.371	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	18.1	177.3	0	0	0	0	0	115.7	H450 R454	H450-G452 VanDerWaalsContact C-N 3.25Å; H450-G452 PolarHBondContact O-N 2.69Å; H450-G452 VanDerWaalsContact O-N 3.08Å; G452-R454 CarbonylContact O-C 3.52Å; G452-R454 PolarHBondContact O-N 2.98Å
453	D	47	Very low	52	Low	23 Å²	23	89 Å²	89	12%	0.123	47%	0.465	C	S	.	.			trans	-66.2	-26.2	178.1	164	62	0	0	0	114.8	Y90 T93 Y94 H450 G455	Y90-D453 WeakPolarHBondContact CD2-OD1 3.5Å; Y90-D453 WeakPolarHBondContact CD2-OD2 3.48Å; Y90-D453 VanDerWaalsContact CE2-CG 3.5Å; Y90-D453 WeakPolarHBondContact CE2-OD1 3.29Å; Y90-D453 WeakPolarHBondContact CE2-OD2 3.34Å; T93-D453 PolarHBondContact OG1-OD1 3.02Å; Y94-D453 WeakPolarHBondContact CE2-OD1 3.35Å; Y94-D453 PolarHBondContact OH-OD1 2.91Å; H450-D453 HydrophobicContact CB-CB 4.04Å; H450-D453 WeakPolarHBondContact O-CB 3.38Å; H450-D453 PolarHBondContact O-N 3.26Å; D453-G455 PolarHBondContact O-N 3.42Å
454	R	43.1	Very low	50.4	Low	163 Å²	163	90.5 Å²	90.5	62%	0.615	47%	0.47	S	S	*	.	S	Bend	trans	-72.7	91.7	153.7	-74.9	-160.1	-73.7	-93.3	9.1	107.2	D447 G452	D447-R454 IonicContact OD1-CZ 3.77Å; D447-R454 IonicContact OD1-NH2 2.71Å; D447-R454 PolarHBondContact OD1-NH2 3.06Å; D447-R454 IonicContact OD2-CZ 3.33Å; D447-R454 IonicContact OD2-NH2 3.64Å; D447-R454 PolarHBondContact OD2-NH2 2.81Å; G452-R454 CarbonylContact O-C 3.52Å; G452-R454 PolarHBondContact O-N 2.98Å
455	G	36.9	Very low	48.7	Very low	42 Å²	42	97.3 Å²	97.3	43%	0.433	50%	0.498	S	S	.	.			trans	-53.1	161.6	-161.6	0	0	0	0	0	114.5	D453 K457	D453-G455 PolarHBondContact O-N 3.42Å; G455-K457 PolarHBondContact O-N 3.41Å
456	A	32.4	Very low	47	Very low	99 Å²	99	105.3 Å²	105.3	82%	0.818	53%	0.533	S	S	*	.	S	Bend	trans	-37.9	118.2	164.8	0	0	0	0	0	109	A458	A456-A458 PolarHBondContact O-N 3.29Å
457	K	32.1	Very low	45.4	Very low	157 Å²	157	105 Å²	105	68%	0.683	54%	0.541	S	S	*	.			trans	-39.1	112.7	-176.9	-79.5	176.5	177.1	170.3	0	106.8	D348 G455 E459	D348-K457 IonicContact OD1-NZ 2.69Å; D348-K457 PolarHBondContact OD1-NZ 2.67Å; G455-K457 PolarHBondContact O-N 3.41Å; K457-E459 PolarHBondContact O-N 2.73Å
458	A	29.1	Very low	44.2	Very low	82 Å²	82	106.9 Å²	106.9	68%	0.678	56%	0.556	S	S	*	*			trans	-48.6	117.8	-170.2	0	0	0	0	0	108.5	A456 E460	A456-A458 PolarHBondContact O-N 3.29Å; A458-E460 WeakPolarHBondContact O-CA 3.44Å; A458-E460 PolarHBondContact O-N 2.95Å
459	E	27.8	Very low	43.2	Very low	188 Å²	188	110.4 Å²	110.4	88%	0.879	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-38.3	119.3	-176.8	-96.4	-171.1	141.4	0	0	108.7	K457 K461	K457-E459 PolarHBondContact O-N 2.73Å; E459-K461 VanDerWaalsContact C-N 3.28Å; E459-K461 PolarHBondContact O-N 2.88Å
460	E	32.3	Very low	43.3	Very low	185 Å²	185	116.1 Å²	116.1	86%	0.864	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-39.5	86.3	-153.5	-63	174.9	114.8	0	0	113.5	A458 F462	A458-E460 WeakPolarHBondContact O-CA 3.44Å; A458-E460 PolarHBondContact O-N 2.95Å; E460-F462 PolarHBondContact O-N 3.43Å
461	K	32.3	Very low	43.1	Very low	193 Å²	193	119.6 Å²	119.6	84%	0.839	61%	0.612	S	S	*	*			trans	-77.6	67.5	169.2	-84.3	-166.8	176.2	179.9	0	108	E459 I463	E459-K461 VanDerWaalsContact C-N 3.28Å; E459-K461 PolarHBondContact O-N 2.88Å; K461-I463 PolarHBondContact O-N 2.93Å
462	F	34.3	Very low	43.1	Very low	188 Å²	188	123.6 Å²	123.6	83%	0.825	63%	0.632	S	S	*	*			trans	27.4	85.4	176.4	-79.4	-98.1	0	0	0	112.2	E460 S464	E460-F462 PolarHBondContact O-N 3.43Å; F462-S464 PolarHBondContact O-N 3.19Å
463	I	41.4	Very low	43.5	Very low	144 Å²	144	127.7 Å²	127.7	74%	0.738	65%	0.645	S	S	*	*			trans	-57.1	98.4	153.1	-60.9	178	0	0	0	104.6	K461 F465	K461-I463 PolarHBondContact O-N 2.93Å; I463-F465 PolarHBondContact O-N 3.41Å
464	S	45.9	Very low	43.9	Very low	65 Å²	65	131 Å²	131	46%	0.455	67%	0.67	S	S	.	*			trans	-53	131.4	-173.3	179.7	0	0	0	0	107.6	F462 K466 S467 C468	F462-S464 PolarHBondContact O-N 3.19Å; S464-K466 PolarHBondContact O-N 3.4Å; S464-K466 WeakPolarHBondContact OG-CB 3.31Å; S464-S467 WeakPolarHBondContact O-CA 3.48Å; S464-S467 VanDerWaalsContact O-CB 3.31Å; S464-S467 WeakPolarHBondContact O-CB 3.23Å; S464-S467 PolarHBondContact O-N 3.49Å; S464-C468 PolarHBondContact O-N 3.1Å
465	F	45.2	Very low	44.1	Very low	162 Å²	162	127.7 Å²	127.7	71%	0.711	67%	0.672	S	S	*	*	H	α-helix	trans	-46.6	-32.9	175.4	178.5	-101.6	0	0	0	111.6	I463 S467 C468 M469	I463-F465 PolarHBondContact O-N 3.41Å; F465-S467 PolarHBondContact O-N 3.32Å; F465-C468 PolarHBondContact O-N 3.15Å; F465-M469 HydrophobicContact CD1-CG 3.92Å; F465-M469 HydrophobicContact CE1-CE 4.44Å; F465-M469 HydrophobicContact CE1-CG 3.59Å; F465-M469 HydrophobicContact CE1-SD 4Å; F465-M469 HydrophobicContact CE2-CG 4.33Å; F465-M469 HydrophobicContact CG-CG 4.42Å; F465-M469 HydrophobicContact CZ-CG 3.81Å; F465-M469 HydrophobicContact CZ-SD 3.95Å; F465-M469 VanDerWaalsContact O-CB 3.26Å; F465-M469 WeakPolarHBondContact O-CB 3.44Å; F465-M469 VanDerWaalsContact O-CG 3.23Å; F465-M469 WeakPolarHBondContact O-CG 3.23Å; F465-M469 PolarHBondContact O-N 3.1Å
466	K	48.6	Very low	44.2	Very low	170 Å²	170	137.8 Å²	137.8	74%	0.739	70%	0.704	S	S	*	*	H	α-helix	trans	-62.1	-32.4	174.3	-157	175.7	-171.9	177.8	0	114.7	S464 K470	S464-K466 PolarHBondContact O-N 3.4Å; S464-K466 WeakPolarHBondContact OG-CB 3.31Å; K466-K470 VanDerWaalsContact O-CB 3.23Å; K466-K470 WeakPolarHBondContact O-CB 3.26Å; K466-K470 PolarHBondContact O-N 3.48Å; K466-K470 VanDerWaalsContact O-N 3.11Å
467	S	44.4	Very low	44.8	Very low	72 Å²	72	139.7 Å²	139.7	50%	0.503	70%	0.698	S	S	.	*	H	α-helix	trans	-75.3	-46	176.2	-169	0	0	0	0	111.4	S464 F465 K470 K471	S464-S467 WeakPolarHBondContact O-CA 3.48Å; S464-S467 VanDerWaalsContact O-CB 3.31Å; S464-S467 WeakPolarHBondContact O-CB 3.23Å; S464-S467 PolarHBondContact O-N 3.49Å; F465-S467 PolarHBondContact O-N 3.32Å; S467-K470 PolarHBondContact O-N 3.33Å; S467-K471 PolarHBondContact O-N 3.11Å; S467-K471 VanDerWaalsContact O-N 3.1Å
468	C	46.1	Very low	45.5	Very low	77 Å²	77	138.8 Å²	138.8	52%	0.52	70%	0.699	S	S	.	*	H	α-helix	trans	-62.7	-48.4	176.3	-157.7	0	0	0	0	111.1	S464 F465 K470 K471 E472	S464-C468 PolarHBondContact O-N 3.1Å; F465-C468 PolarHBondContact O-N 3.15Å; C468-K470 VanDerWaalsContact C-N 3.3Å; C468-K470 PolarHBondContact O-N 3.22Å; C468-K471 PolarHBondContact O-N 3.44Å; C468-K471 VanDerWaalsContact O-N 3.15Å; C468-E472 PolarHBondContact O-N 2.93Å; C468-E472 VanDerWaalsContact O-N 3.1Å
469	M	51.4	Low	46.4	Very low	89 Å²	89	141.9 Å²	141.9	44%	0.438	70%	0.7	S	S	.	*	H	α-helix	trans	-54.3	-41.9	171.8	-80	-87.8	-68.6	0	0	113	F465 K471 L473	F465-M469 HydrophobicContact CD1-CG 3.92Å; F465-M469 HydrophobicContact CE1-CE 4.44Å; F465-M469 HydrophobicContact CE1-CG 3.59Å; F465-M469 HydrophobicContact CE1-SD 4Å; F465-M469 HydrophobicContact CE2-CG 4.33Å; F465-M469 HydrophobicContact CG-CG 4.42Å; F465-M469 HydrophobicContact CZ-CG 3.81Å; F465-M469 HydrophobicContact CZ-SD 3.95Å; F465-M469 VanDerWaalsContact O-CB 3.26Å; F465-M469 WeakPolarHBondContact O-CB 3.44Å; F465-M469 VanDerWaalsContact O-CG 3.23Å; F465-M469 WeakPolarHBondContact O-CG 3.23Å; F465-M469 PolarHBondContact O-N 3.1Å; M469-K471 VanDerWaalsContact C-N 3.32Å; M469-K471 PolarHBondContact O-N 3.4Å; M469-L473 HydrophobicContact CE-CD1 4.12Å; M469-L473 VanDerWaalsContact O-CB 3.26Å; M469-L473 WeakPolarHBondContact O-CB 3.5Å; M469-L473 VanDerWaalsContact O-CG 3.23Å; M469-L473 WeakPolarHBondContact O-CG 3.46Å; M469-L473 PolarHBondContact O-N 3.05Å
470	K	61.5	Low	47.5	Very low	158 Å²	158	139.2 Å²	139.2	69%	0.687	69%	0.69	S	S	*	*	H	α-helix	trans	-68	-32.6	-179.5	-174.3	177.7	178.9	-172.6	0	112.3	K466 S467 C468 S474	K466-K470 VanDerWaalsContact O-CB 3.23Å; K466-K470 WeakPolarHBondContact O-CB 3.26Å; K466-K470 PolarHBondContact O-N 3.48Å; K466-K470 VanDerWaalsContact O-N 3.11Å; S467-K470 PolarHBondContact O-N 3.33Å; C468-K470 VanDerWaalsContact C-N 3.3Å; C468-K470 PolarHBondContact O-N 3.22Å; K470-S474 WeakPolarHBondContact O-CB 3.23Å; K470-S474 PolarHBondContact O-N 3.34Å; K470-S474 VanDerWaalsContact O-N 3.15Å; K470-S474 PolarHBondContact O-OG 3.3Å
471	K	57.8	Low	48.5	Very low	168 Å²	168	136.4 Å²	136.4	73%	0.73	68%	0.679	S	S	*	*	H	α-helix	trans	-74.5	-41	179	-157.7	178.6	-177.3	-172.7	0	111.8	S467 C468 M469 S474 S475	S467-K471 PolarHBondContact O-N 3.11Å; S467-K471 VanDerWaalsContact O-N 3.1Å; C468-K471 PolarHBondContact O-N 3.44Å; C468-K471 VanDerWaalsContact O-N 3.15Å; M469-K471 VanDerWaalsContact C-N 3.32Å; M469-K471 PolarHBondContact O-N 3.4Å; K471-S474 PolarHBondContact O-OG 3.45Å; K471-S475 PolarHBondContact O-N 2.73Å
472	E	64.2	Low	49.6	Very low	135 Å²	135	132.6 Å²	132.6	63%	0.631	67%	0.668	S	S	*	*	H	α-helix	trans	-64.8	-46.2	171.6	-83.5	-63.3	138.1	0	0	112.3	C468 S474 S475	C468-E472 PolarHBondContact O-N 2.93Å; C468-E472 VanDerWaalsContact O-N 3.1Å; E472-S474 VanDerWaalsContact C-N 3.26Å; E472-S474 PolarHBondContact O-N 3.15Å; E472-S475 WeakPolarHBondContact O-CB 3.26Å; E472-S475 PolarHBondContact O-N 2.93Å
473	L	59.2	Low	50.6	Low	121 Å²	121	128.6 Å²	128.6	63%	0.634	66%	0.657	S	S	*	*	H	α-helix	trans	-72	-15.1	-179.4	-69.6	170.4	0	0	0	114.1	M469	M469-L473 HydrophobicContact CE-CD1 4.12Å; M469-L473 VanDerWaalsContact O-CB 3.26Å; M469-L473 WeakPolarHBondContact O-CB 3.5Å; M469-L473 VanDerWaalsContact O-CG 3.23Å; M469-L473 WeakPolarHBondContact O-CG 3.46Å; M469-L473 PolarHBondContact O-N 3.05Å
474	S	56.2	Low	51.4	Low	94 Å²	94	127.5 Å²	127.5	66%	0.657	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	5.6	169.4	76.6	0	0	0	0	113.6	K470 K471 E472	K470-S474 WeakPolarHBondContact O-CB 3.23Å; K470-S474 PolarHBondContact O-N 3.34Å; K470-S474 VanDerWaalsContact O-N 3.15Å; K470-S474 PolarHBondContact O-OG 3.3Å; K471-S474 PolarHBondContact O-OG 3.45Å; E472-S474 VanDerWaalsContact C-N 3.26Å; E472-S474 PolarHBondContact O-N 3.15Å
475	S	46.8	Very low	51.8	Low	93 Å²	93	132.7 Å²	132.7	65%	0.65	67%	0.667	S	S	*	*			trans	-104.1	24.2	176.6	-167.6	0	0	0	0	112.4	K471 E472	K471-S475 PolarHBondContact O-N 2.73Å; E472-S475 WeakPolarHBondContact O-CB 3.26Å; E472-S475 PolarHBondContact O-N 2.93Å
476	K	40.2	Very low	52.4	Low	253 Å²	253	130 Å²	130	100%	1.1	66%	0.663	S	S	*	*			trans	-128.5	0	174.8	-78.4	-171.4	174.1	-179	0	110.9

Retrieved 476 of 476 residues in 830.9 ms (Link to these results)

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