A0A087X549_POEFO Loading...

Sulfotransferase

AlphaFold DB , UniProt , Accession A0A087X549, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.2	Very low	33.5	Very low	242 Å²	242	174.4 Å²	174.4	100%	1.192	86%	0.859	S	S	*	*				0	104.3	0	-93.3	173.9	71.7	0	0	109.8
2	K	35.6	Very low	33.4	Very low	213 Å²	213	173.3 Å²	173.3	93%	0.926	85%	0.851	S	S	*	*			trans	175.6	93.9	143.8	-99.3	173.7	-178.2	-177.8	0	107
3	L	30.4	Very low	33.8	Very low	172 Å²	172	178.2 Å²	178.2	90%	0.901	85%	0.854	S	S	*	*			trans	-72.2	127.8	169	-128.5	77.1	0	0	0	107.1
4	Q	34.8	Very low	33.8	Very low	181 Å²	181	180.3 Å²	180.3	85%	0.846	85%	0.849	S	S	*	*			trans	-116.2	109	170.3	-147.5	165.7	-7.5	0	0	108.3
5	L	32	Very low	34.1	Very low	141 Å²	141	175.9 Å²	175.9	74%	0.738	84%	0.844	S	S	*	*			trans	-79.6	117.5	-174.8	-159.3	82.1	0	0	0	108.7	L7	L5-L7 HydrophobicContact CD2-CG 4.48Å
6	F	32.3	Very low	34.4	Very low	184 Å²	184	177.4 Å²	177.4	81%	0.807	85%	0.846	S	S	*	*			trans	-94.6	105.2	167.7	-97	-87.7	0	0	0	109.4
7	L	31.7	Very low	34.9	Very low	147 Å²	147	177.9 Å²	177.9	77%	0.77	85%	0.847	S	S	*	*			trans	-76.9	115.7	165.8	-80.7	153.9	0	0	0	108.7	L5	L5-L7 HydrophobicContact CD2-CG 4.48Å
8	H	32.1	Very low	35.7	Very low	179 Å²	179	175.1 Å²	175.1	83%	0.829	84%	0.844	S	S	*	*			trans	-94.7	109.1	165.9	-106.6	69.9	0	0	0	109.3	R10	H8-R10 PolarHBondContact O-N 2.66Å
9	V	34	Very low	36.5	Very low	134 Å²	134	172 Å²	172	81%	0.812	84%	0.839	S	S	*	*			trans	-74.6	117.4	170.8	173.3	0	0	0	0	108.5	A11	V9-A11 PolarHBondContact O-N 2.57Å
10	R	31.4	Very low	37.5	Very low	235 Å²	235	169.1 Å²	169.1	89%	0.887	83%	0.834	S	S	*	*			trans	-81.6	105.7	175.2	-149.8	177.4	-169.2	167.8	1.7	107.9	H8 E12	H8-R10 PolarHBondContact O-N 2.66Å; R10-E12 PolarHBondContact O-N 3.48Å
11	A	33.2	Very low	38.3	Very low	90 Å²	90	166.3 Å²	166.3	74%	0.744	83%	0.829	S	S	*	*			trans	-80.4	104.9	173.6	0	0	0	0	0	109.7	V9 R13	V9-A11 PolarHBondContact O-N 2.57Å; A11-R13 PolarHBondContact O-N 2.8Å
12	E	32.7	Very low	39.2	Very low	162 Å²	162	160.9 Å²	160.9	76%	0.757	81%	0.811	S	S	*	*			trans	-70.5	110	168.5	-70.5	-176.4	162.5	0	0	109.7	R10 R14	R10-E12 PolarHBondContact O-N 3.48Å; E12-R14 PolarHBondContact O-N 2.83Å
13	R	37.8	Very low	40.7	Very low	236 Å²	236	158.3 Å²	158.3	89%	0.891	81%	0.807	S	S	*	*			trans	-84.9	103.8	163.5	-73.2	-171.7	-174.6	-162.3	2.4	108.6	A11 C15	A11-R13 PolarHBondContact O-N 2.8Å; R13-C15 PolarHBondContact O-N 3.47Å
14	R	34.3	Very low	41.9	Very low	208 Å²	208	155.9 Å²	155.9	79%	0.785	80%	0.801	S	S	*	*			trans	-72.4	106	164.8	-69.6	-176.4	-171.8	-167.3	1.8	108.8	E12	E12-R14 PolarHBondContact O-N 2.83Å
15	C	37.4	Very low	43.3	Very low	114 Å²	114	155.1 Å²	155.1	77%	0.77	80%	0.802	S	S	*	*			trans	-80.5	113.6	163.3	-75.2	0	0	0	0	108.5	R13 Q17	R13-C15 PolarHBondContact O-N 3.47Å; C15-Q17 PolarHBondContact O-N 3.35Å
16	F	38.8	Very low	44.5	Very low	201 Å²	201	153.6 Å²	153.6	88%	0.882	80%	0.801	S	S	*	*			trans	-67.8	111.7	164.6	-81.7	-91.1	0	0	0	108.4
17	Q	43.4	Very low	45.6	Very low	185 Å²	185	150.4 Å²	150.4	86%	0.864	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-85.5	119.5	170.5	-69.7	-179.6	-7.4	0	0	108.8	C15	C15-Q17 PolarHBondContact O-N 3.35Å
18	T	48.8	Very low	46.6	Very low	128 Å²	128	149 Å²	149	79%	0.785	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-76.8	136.7	161.6	48	0	0	0	0	109
19	P	51.4	Low	47.4	Very low	116 Å²	116	146.7 Å²	146.7	75%	0.753	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-67.6	147.3	179.3	26.6	-32	0	0	0	111.5
20	P	56.4	Low	48.1	Very low	114 Å²	114	148.8 Å²	148.8	74%	0.74	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-69.1	152.2	178.4	28.7	-33.7	0	0	0	111.6
21	P	55.5	Low	48.6	Very low	111 Å²	111	142 Å²	142	72%	0.721	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-67.5	150.2	176.1	28.9	-33.5	0	0	0	111.3
22	P	59.4	Low	48.8	Very low	127 Å²	127	144 Å²	144	83%	0.825	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-66.9	141.9	179.6	26	-32	0	0	0	111.9
23	L	66.1	Low	49.1	Very low	160 Å²	160	142.1 Å²	142.1	84%	0.838	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-65.6	144	178	-69.4	167	0	0	0	111.5
24	P	57.4	Low	48.9	Very low	120 Å²	120	135.1 Å²	135.1	78%	0.779	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-68	141.1	175.3	26.1	-30.9	0	0	0	111.7
25	L	62.2	Low	48.8	Very low	165 Å²	165	132.8 Å²	132.8	86%	0.864	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-66.6	144.3	179.6	-69.4	169.3	0	0	0	111.7
26	P	58.2	Low	48.6	Very low	110 Å²	110	135.9 Å²	135.9	71%	0.714	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-69.7	149.8	177.2	28.4	-33.3	0	0	0	111.8
27	P	55.6	Low	48.2	Very low	117 Å²	117	131 Å²	131	76%	0.76	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-68.4	151.6	177.2	28.5	-33.6	0	0	0	111.8
28	P	52.7	Low	47.7	Very low	117 Å²	117	130 Å²	130	76%	0.76	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-69.4	150.1	-178.5	28.3	-33.7	0	0	0	112.1
29	P	49.2	Very low	46.8	Very low	131 Å²	131	130.2 Å²	130.2	85%	0.851	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-70.2	139	-178.2	27.1	-32.3	0	0	0	112.2
30	L	49.2	Very low	45.8	Very low	178 Å²	178	135.6 Å²	135.6	93%	0.932	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-69.8	133.1	172.5	-76.4	160.5	0	0	0	110.6
31	A	39.9	Very low	44.4	Very low	93 Å²	93	134.9 Å²	134.9	77%	0.769	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-70.7	150.7	178.7	0	0	0	0	0	112.7
32	P	38.5	Very low	43	Very low	131 Å²	131	135 Å²	135	85%	0.851	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-85.8	129.4	-179.5	32.2	-30.7	0	0	0	111.9
33	S	39.3	Very low	41.4	Very low	122 Å²	122	138.6 Å²	138.6	85%	0.853	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-97.4	122.7	167.2	54.6	0	0	0	0	111.3
34	A	33.5	Very low	40.4	Very low	89 Å²	89	136.4 Å²	136.4	74%	0.736	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-62.9	133.7	178.1	0	0	0	0	0	113.3
35	L	32.7	Very low	38.8	Very low	160 Å²	160	137.1 Å²	137.1	84%	0.838	81%	0.805	S	S	*	*				62	125.6	106.6	-81.5	160.9	0	0	0	118.2
36	Q	32	Very low	36.9	Very low	178 Å²	178	134.6 Å²	134.6	83%	0.832	80%	0.8	S	S	*	*				163.8	108.3	122.9	-88.2	172.6	13.6	0	0	108.5
37	S	31.5	Very low	35.4	Very low	99 Å²	99	134.5 Å²	134.5	69%	0.692	80%	0.802	S	S	*	*				60.9	118.4	80.8	74.3	0	0	0	0	115.5
38	L	32.2	Very low	33.9	Very low	163 Å²	163	133.8 Å²	133.8	85%	0.853	80%	0.8	S	S	*	*			trans	178.8	101	141.9	-92.4	158.7	0	0	0	108.6
39	N	29.4	Very low	32.7	Very low	134 Å²	134	133.8 Å²	133.8	72%	0.717	80%	0.798	S	S	*	*				57.6	116.6	107.8	-92.1	-18.3	0	0	0	116.7
40	R	29.9	Very low	31.6	Very low	228 Å²	228	132.4 Å²	132.4	86%	0.86	79%	0.791	S	S	*	*				55.8	131.9	101.5	-75.8	-172.2	-179.2	-135.5	2.4	112.4
41	S	27.9	Very low	30.6	Very low	99 Å²	99	130.7 Å²	130.7	69%	0.692	78%	0.783	S	S	*	*			cis	175.6	165.8	16.3	39.6	0	0	0	0	107.6
42	S	27.2	Very low	29.9	Very low	115 Å²	115	135.5 Å²	135.5	80%	0.804	79%	0.787	S	S	*	*			trans	90.9	113.3	149.2	-40.9	0	0	0	0	120.5
43	F	25.7	Very low	29.2	Very low	201 Å²	201	134.2 Å²	134.2	88%	0.882	78%	0.78	S	S	*	*			trans	-60	-172.4	156.3	-79.5	-85.4	0	0	0	113.5
44	P	43.7	Very low	28.6	Very low	115 Å²	115	133.5 Å²	133.5	75%	0.747	77%	0.774	S	S	*	*			cis	-133	174.2	-39.7	32	-14.3	0	0	0	112.1
45	C	23.9	Very low	28.4	Very low	134 Å²	134	135.1 Å²	135.1	91%	0.905	78%	0.78	S	S	*	*			trans	-164.1	135.8	144.1	-145.6	0	0	0	0	113.9
46	C	23.1	Very low	28.2	Very low	113 Å²	113	130.6 Å²	130.6	76%	0.764	77%	0.772	S	S	*	*			trans	-73.2	155.3	172	-69	0	0	0	0	112.6
47	S	25.7	Very low	28.1	Very low	108 Å²	108	128.2 Å²	128.2	76%	0.755	78%	0.775	S	S	*	*				168.8	131.7	114.2	41.8	0	0	0	0	113.6
48	S	24.9	Very low	28	Very low	102 Å²	102	134.9 Å²	134.9	71%	0.713	79%	0.785	S	S	*	*			trans	29.8	140.3	144.1	62.1	0	0	0	0	120.3
49	T	27.5	Very low	27.8	Very low	117 Å²	117	132.2 Å²	132.2	72%	0.718	78%	0.78	S	S	*	*			cis	-178.4	144.5	49.4	-29.4	0	0	0	0	110.5
50	S	25.9	Very low	27.7	Very low	101 Å²	101	132.5 Å²	132.5	71%	0.706	79%	0.787	S	S	*	*			trans	69.9	144.5	146.6	97.8	0	0	0	0	117.4
51	L	28.3	Very low	27.7	Very low	143 Å²	143	128.6 Å²	128.6	75%	0.749	78%	0.783	S	S	*	*			cis	-160.4	144.8	27.8	-93.5	153.4	0	0	0	109.6
52	F	25.4	Very low	27.9	Very low	194 Å²	194	128.9 Å²	128.9	85%	0.851	79%	0.785	S	S	*	*			trans	40.5	125	142	-90.4	-95.6	0	0	0	124
53	S	24.2	Very low	28.1	Very low	103 Å²	103	130.8 Å²	130.8	72%	0.72	79%	0.785	S	S	*	*				107	140.7	123.8	-160	0	0	0	0	120
54	C	26.6	Very low	28.3	Very low	107 Å²	107	125.7 Å²	125.7	72%	0.723	77%	0.774	S	S	*	*			trans	88.5	87.4	161.3	-68.9	0	0	0	0	118.8
55	S	28.3	Very low	27.9	Very low	123 Å²	123	131.6 Å²	131.6	86%	0.86	78%	0.782	S	S	*	*				22.3	104.5	124	58	0	0	0	0	117.5
56	G	28.3	Very low	28.4	Very low	65 Å²	65	133 Å²	133	67%	0.67	78%	0.777	S	S	*	*			trans	-152.4	99.7	161.6	0	0	0	0	0	108.6	R58	G56-R58 PolarHBondContact O-N 3.46Å
57	S	30.7	Very low	29.1	Very low	128 Å²	128	133.4 Å²	133.4	90%	0.895	78%	0.781	S	S	*	*			trans	-53.5	101.9	169.9	46.9	0	0	0	0	109.8
58	R	28.3	Very low	30	Very low	239 Å²	239	131.5 Å²	131.5	90%	0.902	77%	0.767	S	S	*	*			trans	-97.2	110.8	164.9	-75.9	-172.8	-175.9	-143.4	0.7	107.7	G56 V60	G56-R58 PolarHBondContact O-N 3.46Å; R58-V60 PolarHBondContact O-N 3.38Å
59	S	28.4	Very low	31.2	Very low	108 Å²	108	131 Å²	131	76%	0.755	76%	0.757	S	S	*	*			trans	-45.7	128	162.2	-65.6	0	0	0	0	109.3	D61	S59-D61 VanDerWaalsContact C-N 3.25Å; S59-D61 PolarHBondContact O-N 3.06Å
60	V	28.4	Very low	32.7	Very low	140 Å²	140	129.1 Å²	129.1	85%	0.848	75%	0.746	S	S	*	*			trans	-64.5	90.6	163.9	-106	0	0	0	0	107.2	R58 S62	R58-V60 PolarHBondContact O-N 3.38Å; V60-S62 PolarHBondContact O-N 3.03Å
61	D	29.5	Very low	34.1	Very low	146 Å²	146	130.4 Å²	130.4	78%	0.781	75%	0.745	S	S	*	*			trans	-69.6	84.5	157.8	-90.8	-26.1	0	0	0	107.5	S59 L63	S59-D61 VanDerWaalsContact C-N 3.25Å; S59-D61 PolarHBondContact O-N 3.06Å; D61-L63 PolarHBondContact O-N 2.93Å
62	S	30.9	Very low	35.4	Very low	104 Å²	104	125.8 Å²	125.8	73%	0.727	73%	0.728	S	S	*	*			trans	-71.6	84.2	158.8	62.7	0	0	0	0	107.5	V60 S64	V60-S62 PolarHBondContact O-N 3.03Å; S62-S64 PolarHBondContact O-N 3.19Å
63	L	31.4	Very low	37.2	Very low	156 Å²	156	120.5 Å²	120.5	82%	0.817	71%	0.708	S	S	*	*			trans	-62.7	82	157.8	-86.8	159.9	0	0	0	107.3	D61 R65	D61-L63 PolarHBondContact O-N 2.93Å; L63-R65 VanDerWaalsContact C-N 3.28Å; L63-R65 PolarHBondContact O-N 3.33Å
64	S	30.8	Very low	39.2	Very low	93 Å²	93	121.8 Å²	121.8	65%	0.65	70%	0.697	S	S	*	*			trans	-61.1	100.6	157.2	68.5	0	0	0	0	105.8	S62 M66	S62-S64 PolarHBondContact O-N 3.19Å; S64-M66 PolarHBondContact O-N 3.23Å
65	R	35.8	Very low	41.3	Very low	239 Å²	239	121.2 Å²	121.2	90%	0.902	69%	0.685	S	S	*	*			trans	-63.8	89.6	161.5	-85.6	-176.8	177	-168.8	-0.8	105.7	L63 S67	L63-R65 VanDerWaalsContact C-N 3.28Å; L63-R65 PolarHBondContact O-N 3.33Å; R65-S67 VanDerWaalsContact C-N 3.33Å; R65-S67 PolarHBondContact O-N 3.28Å
66	M	34.7	Very low	43.5	Very low	165 Å²	165	120 Å²	120	81%	0.813	67%	0.666	S	S	*	*			trans	-55.5	107.1	157.5	-67.7	177.6	71.8	0	0	105	S64 S68	S64-M66 PolarHBondContact O-N 3.23Å; M66-S68 PolarHBondContact O-N 2.95Å
67	S	37.4	Very low	46	Very low	120 Å²	120	119.9 Å²	119.9	84%	0.839	66%	0.658	S	S	*	*			trans	-63.5	83.7	166.5	166.9	0	0	0	0	106.4	R65 N69	R65-S67 VanDerWaalsContact C-N 3.33Å; R65-S67 PolarHBondContact O-N 3.28Å; S67-N69 PolarHBondContact O-N 2.99Å
68	S	44	Very low	48.5	Very low	68 Å²	68	116.8 Å²	116.8	48%	0.476	63%	0.627	S	S	.	*			trans	-67.6	124.9	177.6	81.5	0	0	0	0	107.4	M66 P70 D73	M66-S68 PolarHBondContact O-N 2.95Å; S68-P70 WeakPolarHBondContact O-CD 3.46Å; S68-D73 WeakPolarHBondContact CB-OD2 3.42Å; S68-D73 PolarHBondContact OG-OD2 3.39Å
69	N	50.2	Low	51.1	Low	93 Å²	93	107.4 Å²	107.4	50%	0.497	59%	0.594	S	S	.	*			trans	-75.5	110.7	175.6	176.7	-11.3	0	0	0	106.6	S67 L71 A72 D73	S67-N69 PolarHBondContact O-N 2.99Å; N69-L71 PolarHBondContact O-N 3.07Å; N69-L71 WeakPolarHBondContact OD1-CB 3.41Å; N69-L71 PolarHBondContact OD1-N 2.89Å; N69-L71 VanDerWaalsContact OD1-N 3.13Å; N69-A72 HydrophobicContact CB-CB 3.94Å; N69-A72 WeakPolarHBondContact O-CB 3.37Å; N69-A72 PolarHBondContact O-N 2.9Å; N69-D73 PolarHBondContact O-N 2.81Å; N69-D73 VanDerWaalsContact O-N 3.14Å
70	P	58.3	Low	53.8	Low	76 Å²	76	106.4 Å²	106.4	49%	0.494	58%	0.578	S	S	.	*	H	α-helix	trans	-60	-25.2	-172.7	-22.5	34.4	0	0	0	112.9	S68 R74	S68-P70 WeakPolarHBondContact O-CD 3.46Å; P70-R74 WeakPolarHBondContact O-CB 3.5Å; P70-R74 WeakPolarHBondContact O-CD 3.31Å; P70-R74 WeakPolarHBondContact O-CG 3.49Å; P70-R74 PolarHBondContact O-N 3.4Å
71	L	55.9	Low	56.6	Low	128 Å²	128	105.8 Å²	105.8	67%	0.67	56%	0.564	S	S	*	*	H	α-helix	trans	-72	-40.4	175.5	-164.3	88.3	0	0	0	111.8	N69 M75	N69-L71 PolarHBondContact O-N 3.07Å; N69-L71 WeakPolarHBondContact OD1-CB 3.41Å; N69-L71 PolarHBondContact OD1-N 2.89Å; N69-L71 VanDerWaalsContact OD1-N 3.13Å; L71-M75 PolarHBondContact O-N 3.42Å
72	A	56.5	Low	59.4	Low	47 Å²	47	98.9 Å²	98.9	39%	0.388	53%	0.527	S	S	.	.	H	α-helix	trans	-69.4	-43.9	-179.3	0	0	0	0	0	111.3	N69 R74 M75 Q76	N69-A72 HydrophobicContact CB-CB 3.94Å; N69-A72 WeakPolarHBondContact O-CB 3.37Å; N69-A72 PolarHBondContact O-N 2.9Å; A72-R74 VanDerWaalsContact C-N 3.28Å; A72-R74 PolarHBondContact O-N 3Å; A72-M75 PolarHBondContact O-N 3.43Å; A72-Q76 PolarHBondContact O-N 3.45Å
73	D	61.5	Low	62.1	Low	83 Å²	83	100.6 Å²	100.6	44%	0.444	52%	0.521	S	S	.	.	H	α-helix	trans	-61.7	-38.2	177.6	-61.1	-23	0	0	0	111.5	S68 N69 Q76 A77	S68-D73 WeakPolarHBondContact CB-OD2 3.42Å; S68-D73 PolarHBondContact OG-OD2 3.39Å; N69-D73 PolarHBondContact O-N 2.81Å; N69-D73 VanDerWaalsContact O-N 3.14Å; D73-Q76 PolarHBondContact O-N 3.33Å; D73-A77 PolarHBondContact O-N 3.01Å
74	R	68.1	Low	64.8	Low	130 Å²	130	97.4 Å²	97.4	49%	0.491	52%	0.518	S	S	.	.	H	α-helix	trans	-70.9	-39.9	177.1	-73	170.9	-171.2	-170.3	2.2	112.9	P70 A72 Q76 A77 R78	P70-R74 WeakPolarHBondContact O-CB 3.5Å; P70-R74 WeakPolarHBondContact O-CD 3.31Å; P70-R74 WeakPolarHBondContact O-CG 3.49Å; P70-R74 PolarHBondContact O-N 3.4Å; A72-R74 VanDerWaalsContact C-N 3.28Å; A72-R74 PolarHBondContact O-N 3Å; R74-Q76 VanDerWaalsContact C-N 3.29Å; R74-A77 PolarHBondContact O-N 2.86Å; R74-R78 WeakPolarHBondContact O-CG 3.37Å; R74-R78 PolarHBondContact O-N 3.42Å
75	M	70	Confident	67.8	Low	95 Å²	95	94.8 Å²	94.8	47%	0.468	50%	0.495	S	S	.	.	H	α-helix	trans	-63.1	-41.1	174.9	-168.7	151	66.6	0	0	110.1	L71 A72 R78 L79	L71-M75 PolarHBondContact O-N 3.42Å; A72-M75 PolarHBondContact O-N 3.43Å; M75-R78 PolarHBondContact O-N 3.27Å; M75-L79 VanDerWaalsContact O-CG 3.27Å; M75-L79 WeakPolarHBondContact O-CG 3.4Å; M75-L79 PolarHBondContact O-N 3.05Å
76	Q	74.4	Confident	70.4	Confident	98 Å²	98	90.8 Å²	90.8	46%	0.458	48%	0.48	S	S	.	.	H	α-helix	trans	-61.2	-46.7	173.6	-168.2	63.7	32.1	0	0	112.2	A72 D73 R74 R78 L79 E80	A72-Q76 PolarHBondContact O-N 3.45Å; D73-Q76 PolarHBondContact O-N 3.33Å; R74-Q76 VanDerWaalsContact C-N 3.29Å; Q76-R78 VanDerWaalsContact C-N 3.28Å; Q76-R78 PolarHBondContact O-N 3.47Å; Q76-L79 WeakPolarHBondContact O-CB 3.47Å; Q76-L79 PolarHBondContact O-N 3.32Å; Q76-L79 VanDerWaalsContact O-N 3.11Å; Q76-E80 PolarHBondContact NE2-OE1 2.96Å; Q76-E80 PolarHBondContact O-N 3.47Å
77	A	81.1	Confident	73	Confident	61 Å²	61	85.5 Å²	85.5	50%	0.504	46%	0.455	S	S	.	.	H	α-helix	trans	-59.2	-38.2	177.9	0	0	0	0	0	112.7	D73 R74 E80 K81	D73-A77 PolarHBondContact O-N 3.01Å; R74-A77 PolarHBondContact O-N 2.86Å; A77-E80 PolarHBondContact O-N 3.08Å; A77-K81 PolarHBondContact O-N 3.36Å
78	R	81.9	Confident	75.4	Confident	64 Å²	64	86.1 Å²	86.1	24%	0.242	45%	0.445	C	S	.	.	H	α-helix	trans	-67.4	-40.8	174.5	-73.3	179.3	179.3	144.2	0.6	112.2	R74 M75 Q76 E80 K81 A82 E165	R74-R78 WeakPolarHBondContact O-CG 3.37Å; R74-R78 PolarHBondContact O-N 3.42Å; M75-R78 PolarHBondContact O-N 3.27Å; Q76-R78 VanDerWaalsContact C-N 3.28Å; Q76-R78 PolarHBondContact O-N 3.47Å; R78-E80 VanDerWaalsContact C-N 3.34Å; R78-K81 PolarHBondContact O-N 2.74Å; R78-A82 WeakPolarHBondContact O-CB 3.46Å; R78-A82 PolarHBondContact O-N 3.21Å; R78-E165 IonicContact NH2-OE1 2.85Å; R78-E165 PolarHBondContact NH2-OE1 3.15Å
79	L	83.8	Confident	77.7	Confident	42 Å²	42	86.1 Å²	86.1	22%	0.22	44%	0.439	C	S	.	.	H	α-helix	trans	-61.8	-42.2	175.3	-68.4	172.3	0	0	0	111.3	M75 Q76 A82 K83 P221 V222	M75-L79 VanDerWaalsContact O-CG 3.27Å; M75-L79 WeakPolarHBondContact O-CG 3.4Å; M75-L79 PolarHBondContact O-N 3.05Å; Q76-L79 WeakPolarHBondContact O-CB 3.47Å; Q76-L79 PolarHBondContact O-N 3.32Å; Q76-L79 VanDerWaalsContact O-N 3.11Å; L79-A82 WeakPolarHBondContact O-CB 3.48Å; L79-A82 PolarHBondContact O-N 3.5Å; L79-K83 WeakPolarHBondContact O-CG 3.39Å; L79-K83 PolarHBondContact O-N 3.38Å; L79-K83 VanDerWaalsContact O-N 3.1Å; L79-P221 HydrophobicContact CD2-CG 3.37Å; L79-V222 HydrophobicContact CD2-CG1 4.13Å
80	E	85.6	Confident	79.8	Confident	87 Å²	87	82.6 Å²	82.6	41%	0.407	42%	0.42	S	S	.	.	H	α-helix	trans	-65.5	-42.6	175.3	-64.6	-47.4	134.7	0	0	112	Q76 A77 R78 A82 K83 A84	Q76-E80 PolarHBondContact NE2-OE1 2.96Å; Q76-E80 PolarHBondContact O-N 3.47Å; A77-E80 PolarHBondContact O-N 3.08Å; R78-E80 VanDerWaalsContact C-N 3.34Å; E80-A82 VanDerWaalsContact C-N 3.3Å; E80-A82 PolarHBondContact O-N 3.06Å; E80-K83 VanDerWaalsContact CD-NZ 3.33Å; E80-K83 PolarHBondContact O-N 2.99Å; E80-K83 IonicContact OE1-NZ 2.74Å; E80-K83 PolarHBondContact OE1-NZ 2.88Å; E80-K83 WeakPolarHBondContact OE2-CD 3.3Å; E80-K83 IonicContact OE2-NZ 3.18Å; E80-K83 PolarHBondContact OE2-NZ 3.06Å; E80-A84 PolarHBondContact O-N 2.86Å
81	K	86.9	Confident	81.6	Confident	126 Å²	126	80.5 Å²	80.5	55%	0.548	40%	0.404	S	S	.	.	H	α-helix	trans	-60.2	-41.9	174.2	-172.5	172.6	175.5	-174.8	0	111.4	A77 R78 K83 A84 M85 L102	A77-K81 PolarHBondContact O-N 3.36Å; R78-K81 PolarHBondContact O-N 2.74Å; K81-K83 VanDerWaalsContact C-N 3.33Å; K81-K83 PolarHBondContact O-N 3.38Å; K81-A84 PolarHBondContact O-N 3.47Å; K81-A84 VanDerWaalsContact O-N 3.12Å; K81-M85 HydrophobicContact CG-SD 4.22Å; K81-M85 WeakPolarHBondContact O-CG 3.31Å; K81-M85 PolarHBondContact O-N 3.31Å; K81-L102 HydrophobicContact CD-CD2 3.65Å; K81-L102 HydrophobicContact CG-CD2 4.06Å
82	A	88	Confident	83.5	Confident	1 Å²	1	76 Å²	76	1%	0.008	38%	0.379	C	S	.	.	H	α-helix	trans	-62.4	-37.7	179	0	0	0	0	0	113.2	R78 L79 E80 A84 M85 L102 P221 V222	R78-A82 WeakPolarHBondContact O-CB 3.46Å; R78-A82 PolarHBondContact O-N 3.21Å; L79-A82 WeakPolarHBondContact O-CB 3.48Å; L79-A82 PolarHBondContact O-N 3.5Å; E80-A82 VanDerWaalsContact C-N 3.3Å; E80-A82 PolarHBondContact O-N 3.06Å; A82-A84 PolarHBondContact O-N 2.96Å; A82-M85 PolarHBondContact O-N 3.48Å; A82-L102 HydrophobicContact CB-CD1 3.54Å; A82-P221 WeakPolarHBondContact CB-O 2.96Å; A82-V222 HydrophobicContact CB-CB 4.24Å; A82-V222 HydrophobicContact CB-CG1 3.9Å
83	K	87.1	Confident	85.3	Confident	140 Å²	140	80.4 Å²	80.4	61%	0.609	39%	0.385	S	S	*	.	H	α-helix	trans	-63.4	-28	175.4	-70	170.8	-172.2	170	0	112.9	L79 E80 K81	L79-K83 WeakPolarHBondContact O-CG 3.39Å; L79-K83 PolarHBondContact O-N 3.38Å; L79-K83 VanDerWaalsContact O-N 3.1Å; E80-K83 VanDerWaalsContact CD-NZ 3.33Å; E80-K83 PolarHBondContact O-N 2.99Å; E80-K83 IonicContact OE1-NZ 2.74Å; E80-K83 PolarHBondContact OE1-NZ 2.88Å; E80-K83 WeakPolarHBondContact OE2-CD 3.3Å; E80-K83 IonicContact OE2-NZ 3.18Å; E80-K83 PolarHBondContact OE2-NZ 3.06Å; K81-K83 VanDerWaalsContact C-N 3.33Å; K81-K83 PolarHBondContact O-N 3.38Å
84	A	89.6	Confident	86.8	Confident	90 Å²	90	77.6 Å²	77.6	74%	0.744	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-5.6	178.5	0	0	0	0	0	113.5	E80 K81 A82	E80-A84 PolarHBondContact O-N 2.86Å; K81-A84 PolarHBondContact O-N 3.47Å; K81-A84 VanDerWaalsContact O-N 3.12Å; A82-A84 PolarHBondContact O-N 2.96Å
85	M	92.4	Very high	87.8	Confident	37 Å²	37	77.3 Å²	77.3	18%	0.182	38%	0.378	C	S	.	.	S	Bend	trans	-94.5	140.7	179.7	-71	174.6	68.5	0	0	111	K81 A82 D89 K90 T101 L102	K81-M85 HydrophobicContact CG-SD 4.22Å; K81-M85 WeakPolarHBondContact O-CG 3.31Å; K81-M85 PolarHBondContact O-N 3.31Å; A82-M85 PolarHBondContact O-N 3.48Å; M85-D89 VanDerWaalsContact CE-C 3.5Å; M85-D89 HydrophobicContact CE-CB 4.17Å; M85-D89 WeakPolarHBondContact CE-O 3.41Å; M85-K90 HydrophobicContact CB-CG 4.13Å; M85-K90 HydrophobicContact CE-CG 4.27Å; M85-T101 HydrophobicContact CE-CG2 4.04Å; M85-L102 HydrophobicContact CE-CG 4.47Å; M85-L102 HydrophobicContact SD-CD1 3.72Å; M85-L102 HydrophobicContact SD-CD2 3.82Å; M85-L102 HydrophobicContact SD-CG 3.77Å
86	R	91	Very high	88.9	Confident	156 Å²	156	75.3 Å²	75.3	59%	0.589	38%	0.381	S	S	*	.			trans	-71.2	154.1	165.7	-53.5	178.4	-62.9	154.6	8.5	109.4	E88 D89 K90	R86-E88 WeakPolarHBondContact CB-OE2 3.47Å; R86-E88 PolarHBondContact O-N 3.32Å; R86-D89 WeakPolarHBondContact CB-OD2 3.05Å; R86-D89 IonicContact CZ-OD1 2.62Å; R86-D89 IonicContact CZ-OD2 3.76Å; R86-D89 IonicContact NE-OD1 2.8Å; R86-D89 IonicContact NE-OD2 3.72Å; R86-D89 PolarHBondContact NE-OD2 2.98Å; R86-D89 IonicContact NH2-OD1 3.6Å; R86-D89 PolarHBondContact NH2-OD1 3.12Å; R86-D89 IonicContact NH2-OD2 3.9Å; R86-D89 PolarHBondContact NH2-OD2 3.49Å; R86-D89 VanDerWaalsContact NH2-OD2 3.12Å; R86-D89 PolarHBondContact O-N 3.32Å; R86-K90 PolarHBondContact O-N 2.99Å
87	D	88.4	Confident	89.8	Confident	53 Å²	53	72.3 Å²	72.3	28%	0.283	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-61.4	-32.9	-177.7	-83.2	-14.8	0	0	0	112.7	D89 K90 P224 S225	D87-D89 VanDerWaalsContact C-N 3.26Å; D87-D89 PolarHBondContact O-N 3.27Å; D87-K90 WeakPolarHBondContact O-CB 3.26Å; D87-K90 PolarHBondContact O-N 2.84Å; D87-K90 WeakPolarHBondContact OD1-CD 3.49Å; D87-K90 VanDerWaalsContact OD1-CE 3.26Å; D87-K90 WeakPolarHBondContact OD1-CE 3.25Å; D87-K90 IonicContact OD1-NZ 3.95Å; D87-K90 PolarHBondContact OD1-NZ 3.45Å; D87-P224 HydrophobicContact CB-CB 4.13Å; D87-S225 PolarHBondContact OD2-N 3.2Å
88	E	88.8	Confident	90.5	Very high	134 Å²	134	70.4 Å²	70.4	63%	0.626	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-68	-27.1	177.1	-51.1	77.9	-150	0	0	112.7	R86 K90	R86-E88 WeakPolarHBondContact CB-OE2 3.47Å; R86-E88 PolarHBondContact O-N 3.32Å; E88-K90 VanDerWaalsContact C-N 3.35Å
89	D	93	Very high	91.2	Very high	67 Å²	67	67.4 Å²	67.4	36%	0.358	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-85.9	-11	-179	-56.4	-40.7	0	0	0	112	M85 R86 D87 L91 T101	M85-D89 VanDerWaalsContact CE-C 3.5Å; M85-D89 HydrophobicContact CE-CB 4.17Å; M85-D89 WeakPolarHBondContact CE-O 3.41Å; R86-D89 WeakPolarHBondContact CB-OD2 3.05Å; R86-D89 IonicContact CZ-OD1 2.62Å; R86-D89 IonicContact CZ-OD2 3.76Å; R86-D89 IonicContact NE-OD1 2.8Å; R86-D89 IonicContact NE-OD2 3.72Å; R86-D89 PolarHBondContact NE-OD2 2.98Å; R86-D89 IonicContact NH2-OD1 3.6Å; R86-D89 PolarHBondContact NH2-OD1 3.12Å; R86-D89 IonicContact NH2-OD2 3.9Å; R86-D89 PolarHBondContact NH2-OD2 3.49Å; R86-D89 VanDerWaalsContact NH2-OD2 3.12Å; R86-D89 PolarHBondContact O-N 3.32Å; D87-D89 VanDerWaalsContact C-N 3.26Å; D87-D89 PolarHBondContact O-N 3.27Å; D89-L91 VanDerWaalsContact C-N 3.26Å; D89-L91 PolarHBondContact O-N 3.21Å; D89-T101 PolarHBondContact O-OG1 2.92Å
90	K	94.1	Very high	91.8	Very high	19 Å²	19	65.4 Å²	65.4	8%	0.083	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-75.3	-15.2	179.4	-69.1	179.6	-175.6	169.8	0	113.1	M85 R86 D87 E88 P100 T101 P221 L223 P224	M85-K90 HydrophobicContact CB-CG 4.13Å; M85-K90 HydrophobicContact CE-CG 4.27Å; R86-K90 PolarHBondContact O-N 2.99Å; D87-K90 WeakPolarHBondContact O-CB 3.26Å; D87-K90 PolarHBondContact O-N 2.84Å; D87-K90 WeakPolarHBondContact OD1-CD 3.49Å; D87-K90 VanDerWaalsContact OD1-CE 3.26Å; D87-K90 WeakPolarHBondContact OD1-CE 3.25Å; D87-K90 IonicContact OD1-NZ 3.95Å; D87-K90 PolarHBondContact OD1-NZ 3.45Å; E88-K90 VanDerWaalsContact C-N 3.35Å; K90-P100 CarbonylContact O-C 3.47Å; K90-P100 WeakPolarHBondContact O-CA 3.48Å; K90-T101 VanDerWaalsContact C-OG1 3.28Å; K90-T101 PolarHBondContact O-N 3Å; K90-T101 PolarHBondContact O-OG1 3.48Å; K90-P221 WeakPolarHBondContact CE-O 3.5Å; K90-P221 PolarHBondContact NZ-O 3.15Å; K90-P221 VanDerWaalsContact NZ-O 3.11Å; K90-L223 VanDerWaalsContact CD-C 3.41Å; K90-L223 VanDerWaalsContact CD-O 3.25Å; K90-L223 WeakPolarHBondContact CD-O 3.01Å; K90-L223 PolarHBondContact NZ-O 3.05Å; K90-P224 HydrophobicContact CB-CG 4.13Å
91	L	95.6	Very high	92.1	Very high	33 Å²	33	63.2 Å²	63.2	17%	0.173	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	151.1	172	-56.1	-179.2	0	0	0	110.4	D89 L98 Y99 P100 P224	D89-L91 VanDerWaalsContact C-N 3.26Å; D89-L91 PolarHBondContact O-N 3.21Å; L91-L98 HydrophobicContact CB-CD2 4.14Å; L91-L98 HydrophobicContact CD1-CD1 4.36Å; L91-Y99 CarbonylContact C-O 3.54Å; L91-Y99 VanDerWaalsContact CA-O 3.26Å; L91-Y99 WeakPolarHBondContact CA-O 3.37Å; L91-P100 HydrophobicContact CD2-CB 4.21Å; L91-P100 HydrophobicContact CD2-CG 4.27Å; L91-P224 HydrophobicContact CD1-CG 3.88Å; L91-P224 HydrophobicContact CD2-CG 4.24Å; L91-P224 HydrophobicContact CG-CG 3.69Å
92	Y	95.8	Very high	92.3	Very high	34 Å²	34	57.7 Å²	57.7	13%	0.133	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	157.9	170.8	72.9	-76.9	0	0	0	110	H94 L98 Y99 C104 E106 L109	Y92-H94 HydrophobicContact CD2-CB 4.47Å; Y92-H94 HydrophobicContact CE2-CB 3.83Å; Y92-L98 CarbonylContact O-C 3.59Å; Y92-L98 WeakPolarHBondContact O-CA 3.5Å; Y92-Y99 VanDerWaalsContact CD1-O 3.25Å; Y92-Y99 WeakPolarHBondContact CD1-O 3.47Å; Y92-Y99 PolarHBondContact N-O 3.35Å; Y92-Y99 PolarHBondContact O-N 3.49Å; Y92-C104 WeakPolarHBondContact CE1-O 3.39Å; Y92-C104 VanDerWaalsContact CZ-O 3.26Å; Y92-C104 PolarHBondContact OH-O 3.47Å; Y92-E106 HydrophobicContact CD2-CB 4.14Å; Y92-E106 HydrophobicContact CD2-CG 4.24Å; Y92-E106 HydrophobicContact CE2-CB 3.47Å; Y92-E106 VanDerWaalsContact CE2-CB 3.47Å; Y92-E106 HydrophobicContact CE2-CG 3.63Å; Y92-E106 VanDerWaalsContact OH-CA 3.23Å; Y92-E106 WeakPolarHBondContact OH-CA 3.45Å; Y92-E106 PolarHBondContact OH-N 2.97Å; Y92-L109 WeakPolarHBondContact OH-CD1 3.42Å
93	R	95.3	Very high	92.4	Very high	138 Å²	138	58.5 Å²	58.5	52%	0.521	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	128.6	177	-71.6	-170.3	-175	-89.3	-1	111.1	G96 V97 L98 D239	R93-G96 PolarHBondContact NH1-O 3.03Å; R93-V97 CarbonylContact C-O 3.57Å; R93-V97 WeakPolarHBondContact CA-O 3.38Å; R93-L98 HydrophobicContact CG-CD2 3.49Å; R93-L98 VanDerWaalsContact CG-CD2 3.49Å; R93-L98 HydrophobicContact CG-CG 4.07Å; R93-D239 IonicContact CZ-OD1 3.25Å; R93-D239 IonicContact NH1-OD1 3.39Å; R93-D239 IonicContact NH2-OD1 2.69Å; R93-D239 PolarHBondContact NH2-OD1 3.44Å
94	H	92.4	Very high	92.7	Very high	25 Å²	25	51.9 Å²	51.9	12%	0.116	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	122.2	169.1	-173.9	78.7	0	0	0	108.4	Y92 G96 V97 Y99 L109	Y92-H94 HydrophobicContact CD2-CB 4.47Å; Y92-H94 HydrophobicContact CE2-CB 3.83Å; H94-G96 PolarHBondContact O-N 3.43Å; H94-G96 VanDerWaalsContact O-N 3.15Å; H94-V97 PolarHBondContact N-O 3.32Å; H94-V97 PolarHBondContact O-N 3.27Å; H94-Y99 HydrophobicContact CB-CD2 3.77Å; H94-Y99 HydrophobicContact CB-CE2 4.06Å; H94-L109 HydrophobicContact CB-CD1 4.06Å
95	N	89.7	Confident	92.7	Very high	124 Å²	124	48.4 Å²	48.4	66%	0.663	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	39.3	-176.3	-60.6	-20.1	0	0	0	113.6	V97	N95-V97 VanDerWaalsContact C-N 3.28Å; N95-V97 PolarHBondContact O-N 2.93Å
96	G	91.3	Very high	92.6	Very high	52 Å²	52	50.3 Å²	50.3	54%	0.536	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	-15.5	179.7	0	0	0	0	0	115.5	R93 H94	R93-G96 PolarHBondContact NH1-O 3.03Å; H94-G96 PolarHBondContact O-N 3.43Å; H94-G96 VanDerWaalsContact O-N 3.15Å
97	V	94.4	Very high	92.5	Very high	35 Å²	35	49 Å²	49	21%	0.212	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	140.6	-178.5	179.3	0	0	0	0	110.7	R93 H94 N95 Y99 W242	R93-V97 CarbonylContact C-O 3.57Å; R93-V97 WeakPolarHBondContact CA-O 3.38Å; H94-V97 PolarHBondContact N-O 3.32Å; H94-V97 PolarHBondContact O-N 3.27Å; N95-V97 VanDerWaalsContact C-N 3.28Å; N95-V97 PolarHBondContact O-N 2.93Å; V97-Y99 HydrophobicContact CB-CE2 3.69Å; V97-Y99 HydrophobicContact CG1-CD2 4.38Å; V97-Y99 HydrophobicContact CG1-CE1 4.46Å; V97-Y99 HydrophobicContact CG1-CE2 3.65Å; V97-Y99 WeakPolarHBondContact CG1-OH 3.32Å; V97-Y99 WeakPolarHBondContact O-CD2 3.31Å; V97-W242 VanDerWaalsContact CG1-C 3.49Å
98	L	96.4	Very high	92.6	Very high	21 Å²	21	46.5 Å²	46.5	11%	0.11	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	135	175.5	-73.6	166.4	0	0	0	110.9	L91 Y92 R93 D239 V240 G241 W242	L91-L98 HydrophobicContact CB-CD2 4.14Å; L91-L98 HydrophobicContact CD1-CD1 4.36Å; Y92-L98 CarbonylContact O-C 3.59Å; Y92-L98 WeakPolarHBondContact O-CA 3.5Å; R93-L98 HydrophobicContact CG-CD2 3.49Å; R93-L98 VanDerWaalsContact CG-CD2 3.49Å; R93-L98 HydrophobicContact CG-CG 4.07Å; L98-D239 HydrophobicContact CD1-CB 4.33Å; L98-V240 WeakPolarHBondContact CB-O 3.35Å; L98-G241 CarbonylContact O-C 3.5Å; L98-G241 WeakPolarHBondContact O-CA 3.17Å; L98-W242 PolarHBondContact O-N 2.59Å
99	Y	96.2	Very high	92.6	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	148.3	174.4	-72.1	-79.2	0	0	0	111.4	L91 Y92 H94 V97 T101 C104 L109 L183 I187 W242	L91-Y99 CarbonylContact C-O 3.54Å; L91-Y99 VanDerWaalsContact CA-O 3.26Å; L91-Y99 WeakPolarHBondContact CA-O 3.37Å; Y92-Y99 VanDerWaalsContact CD1-O 3.25Å; Y92-Y99 WeakPolarHBondContact CD1-O 3.47Å; Y92-Y99 PolarHBondContact N-O 3.35Å; Y92-Y99 PolarHBondContact O-N 3.49Å; H94-Y99 HydrophobicContact CB-CD2 3.77Å; H94-Y99 HydrophobicContact CB-CE2 4.06Å; V97-Y99 HydrophobicContact CB-CE2 3.69Å; V97-Y99 HydrophobicContact CG1-CD2 4.38Å; V97-Y99 HydrophobicContact CG1-CE1 4.46Å; V97-Y99 HydrophobicContact CG1-CE2 3.65Å; V97-Y99 WeakPolarHBondContact CG1-OH 3.32Å; V97-Y99 WeakPolarHBondContact O-CD2 3.31Å; Y99-T101 PolarHBondContact O-N 2.97Å; Y99-C104 HydrophobicContact CD1-CB 4.37Å; Y99-L109 HydrophobicContact CD1-CD1 4.09Å; Y99-L109 HydrophobicContact CD2-CD1 3.65Å; Y99-L109 HydrophobicContact CE1-CD1 4.44Å; Y99-L109 HydrophobicContact CE2-CD1 4.01Å; Y99-L109 HydrophobicContact CG-CD1 3.7Å; Y99-L183 HydrophobicContact CE1-CD2 3.67Å; Y99-I187 WeakPolarHBondContact OH-CD1 3.1Å; Y99-W242 AromaticContact CD1-CD1 3.92Å; Y99-W242 HydrophobicContact CD1-CG 4.48Å; Y99-W242 AromaticContact CE1-CD1 3.57Å; Y99-W242 HydrophobicContact CE1-CG 4.27Å
100	P	95.2	Very high	92.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	122	174	-14.6	28	0	0	0	112.1	K90 L91 L102 M103 C104 L223 W242	K90-P100 CarbonylContact O-C 3.47Å; K90-P100 WeakPolarHBondContact O-CA 3.48Å; L91-P100 HydrophobicContact CD2-CB 4.21Å; L91-P100 HydrophobicContact CD2-CG 4.27Å; P100-L102 VanDerWaalsContact C-N 3.28Å; P100-L102 PolarHBondContact O-N 2.75Å; P100-M103 HydrophobicContact CB-CB 3.91Å; P100-M103 HydrophobicContact CB-CG 4Å; P100-M103 HydrophobicContact CB-SD 4.15Å; P100-M103 HydrophobicContact CG-CB 4.33Å; P100-M103 HydrophobicContact CG-SD 4.22Å; P100-M103 PolarHBondContact O-N 3.23Å; P100-C104 PolarHBondContact O-N 3.42Å; P100-L223 HydrophobicContact CB-CD2 3.56Å; P100-L223 HydrophobicContact CG-CD2 3.59Å; P100-W242 HydrophobicContact CG-CE3 4.42Å; P100-W242 HydrophobicContact CG-CH2 3.47Å; P100-W242 VanDerWaalsContact CG-CH2 3.47Å; P100-W242 HydrophobicContact CG-CZ2 3.81Å; P100-W242 HydrophobicContact CG-CZ3 3.81Å
101	T	93.6	Very high	92.1	Very high	41 Å²	41	45.5 Å²	45.5	25%	0.252	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-40.8	-176.3	-54.6	0	0	0	0	112.7	M85 D89 K90 Y99	M85-T101 HydrophobicContact CE-CG2 4.04Å; D89-T101 PolarHBondContact O-OG1 2.92Å; K90-T101 VanDerWaalsContact C-OG1 3.28Å; K90-T101 PolarHBondContact O-N 3Å; K90-T101 PolarHBondContact O-OG1 3.48Å; Y99-T101 PolarHBondContact O-N 2.97Å
102	L	90.5	Very high	91.7	Very high	11 Å²	11	44.1 Å²	44.1	6%	0.058	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-21.5	-176.8	-64.1	-178.2	0	0	0	114.1	K81 A82 M85 P100 V222	K81-L102 HydrophobicContact CD-CD2 3.65Å; K81-L102 HydrophobicContact CG-CD2 4.06Å; A82-L102 HydrophobicContact CB-CD1 3.54Å; M85-L102 HydrophobicContact CE-CG 4.47Å; M85-L102 HydrophobicContact SD-CD1 3.72Å; M85-L102 HydrophobicContact SD-CD2 3.82Å; M85-L102 HydrophobicContact SD-CG 3.77Å; P100-L102 VanDerWaalsContact C-N 3.28Å; P100-L102 PolarHBondContact O-N 2.75Å; L102-V222 HydrophobicContact CB-CB 4.35Å; L102-V222 HydrophobicContact CD1-CB 4.2Å; L102-V222 HydrophobicContact CD1-CG1 4.35Å
103	M	89.9	Confident	91.2	Very high	18 Å²	18	47.8 Å²	47.8	9%	0.089	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-37.6	179.6	-55.6	178.4	59	0	0	111.3	P100 F161 F162 V222 L223 W242	P100-M103 HydrophobicContact CB-CB 3.91Å; P100-M103 HydrophobicContact CB-CG 4Å; P100-M103 HydrophobicContact CB-SD 4.15Å; P100-M103 HydrophobicContact CG-CB 4.33Å; P100-M103 HydrophobicContact CG-SD 4.22Å; P100-M103 PolarHBondContact O-N 3.23Å; M103-F161 HydrophobicContact CE-CD2 4.13Å; M103-F161 HydrophobicContact CE-CE1 4.47Å; M103-F161 HydrophobicContact CE-CE2 3.29Å; M103-F161 HydrophobicContact CE-CZ 3.51Å; M103-F161 CarbonylContact O-C 3.57Å; M103-F161 VanDerWaalsContact O-CA 3.23Å; M103-F161 WeakPolarHBondContact O-CA 3.48Å; M103-F162 PolarHBondContact O-N 3.3Å; M103-V222 HydrophobicContact CG-CG2 3.65Å; M103-V222 HydrophobicContact SD-CG2 3.72Å; M103-L223 HydrophobicContact SD-CD1 4.37Å; M103-L223 HydrophobicContact SD-CD2 3.93Å; M103-L223 HydrophobicContact SD-CG 4.2Å; M103-W242 HydrophobicContact CE-CH2 4.07Å; M103-W242 HydrophobicContact CE-CZ2 4.49Å; M103-W242 HydrophobicContact SD-CH2 4.25Å
104	C	92.8	Very high	90.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	-126.1	79.7	-177.1	-52.8	0	0	0	0	108.6	Y92 Y99 P100 E160	Y92-C104 WeakPolarHBondContact CE1-O 3.39Å; Y92-C104 VanDerWaalsContact CZ-O 3.26Å; Y92-C104 PolarHBondContact OH-O 3.47Å; Y99-C104 HydrophobicContact CD1-CB 4.37Å; P100-C104 PolarHBondContact O-N 3.42Å; C104-E160 WeakPolarHBondContact CA-O 3.43Å; C104-E160 WeakPolarHBondContact CB-O 3.44Å
105	P	90.3	Very high	90.6	Very high	17 Å²	17	43.1 Å²	43.1	11%	0.11	25%	0.252	C	S	.	.			trans	-57.4	141.2	-178.9	-20.9	32.3	0	0	0	111.9	E107 H108 L109 F162	P105-E107 VanDerWaalsContact C-N 3.34Å; P105-E107 HydrophobicContact CB-CG 4.33Å; P105-E107 VanDerWaalsContact CB-OE1 3.29Å; P105-E107 WeakPolarHBondContact CB-OE1 3.5Å; P105-E107 PolarHBondContact O-N 3.32Å; P105-H108 HydrophobicContact CB-CB 4.16Å; P105-H108 HydrophobicContact CG-CB 4.47Å; P105-H108 WeakPolarHBondContact O-CA 3.41Å; P105-H108 VanDerWaalsContact O-CB 3.29Å; P105-H108 WeakPolarHBondContact O-CB 3.48Å; P105-H108 PolarHBondContact O-N 3.3Å; P105-L109 PolarHBondContact O-N 2.85Å; P105-L109 VanDerWaalsContact O-N 3.09Å; P105-F162 WeakPolarHBondContact CD-O 3.25Å
106	E	90.8	Very high	90.8	Very high	77 Å²	77	43 Å²	43	36%	0.36	25%	0.247	S	C	.	.	H	α-helix	trans	-63.3	-41.2	-173.8	-175.7	-179.3	177.6	0	0	112.3	Y92 H108 L109 K110	Y92-E106 HydrophobicContact CD2-CB 4.14Å; Y92-E106 HydrophobicContact CD2-CG 4.24Å; Y92-E106 HydrophobicContact CE2-CB 3.47Å; Y92-E106 VanDerWaalsContact CE2-CB 3.47Å; Y92-E106 HydrophobicContact CE2-CG 3.63Å; Y92-E106 VanDerWaalsContact OH-CA 3.23Å; Y92-E106 WeakPolarHBondContact OH-CA 3.45Å; Y92-E106 PolarHBondContact OH-N 2.97Å; E106-H108 PolarHBondContact O-N 3.27Å; E106-L109 PolarHBondContact O-N 3.42Å; E106-K110 VanDerWaalsContact CD-NZ 3.27Å; E106-K110 HydrophobicContact CG-CD 4.28Å; E106-K110 WeakPolarHBondContact O-CG 3.3Å; E106-K110 PolarHBondContact O-N 3.46Å; E106-K110 WeakPolarHBondContact OE1-CE 3.24Å; E106-K110 IonicContact OE1-NZ 3.12Å; E106-K110 PolarHBondContact OE1-NZ 3.45Å; E106-K110 IonicContact OE2-NZ 3.79Å
107	E	89.1	Confident	91	Very high	129 Å²	129	40.9 Å²	40.9	60%	0.603	23%	0.225	S	C	*	.	H	α-helix	trans	-58.1	-30.5	174.5	62.8	-83.6	-165.6	0	0	112.5	P105 C111	P105-E107 VanDerWaalsContact C-N 3.34Å; P105-E107 HydrophobicContact CB-CG 4.33Å; P105-E107 VanDerWaalsContact CB-OE1 3.29Å; P105-E107 WeakPolarHBondContact CB-OE1 3.5Å; P105-E107 PolarHBondContact O-N 3.32Å; E107-C111 PolarHBondContact O-N 3.3Å; E107-C111 PolarHBondContact O-SG 3.37Å
108	H	89	Confident	91.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-78.7	-43.8	179.3	-172.7	88.4	0	0	0	111.9	P105 E106 K110 C111 L112 I159 F162 G163 L167	P105-H108 HydrophobicContact CB-CB 4.16Å; P105-H108 HydrophobicContact CG-CB 4.47Å; P105-H108 WeakPolarHBondContact O-CA 3.41Å; P105-H108 VanDerWaalsContact O-CB 3.29Å; P105-H108 WeakPolarHBondContact O-CB 3.48Å; P105-H108 PolarHBondContact O-N 3.3Å; E106-H108 PolarHBondContact O-N 3.27Å; H108-K110 PolarHBondContact O-N 3.13Å; H108-C111 PolarHBondContact O-N 3.45Å; H108-C111 VanDerWaalsContact O-N 3.15Å; H108-C111 PolarHBondContact O-SG 2.96Å; H108-L112 PolarHBondContact O-N 3.24Å; H108-L112 VanDerWaalsContact O-N 3.16Å; H108-I159 PolarHBondContact NE2-O 3.41Å; H108-F162 PolarHBondContact CD2-O 3.16Å; H108-F162 PolarHBondContact CE1-O 2.87Å; H108-F162 VanDerWaalsContact CE1-O 3.24Å; H108-F162 PolarHBondContact ND1-O 3.31Å; H108-F162 VanDerWaalsContact ND1-O 3.12Å; H108-F162 PolarHBondContact NE2-O 3.35Å; H108-G163 VanDerWaalsContact CE1-C 3.49Å; H108-G163 PolarHBondContact CE1-O 3.49Å; H108-G163 PolarHBondContact ND1-O 3.37Å; H108-L167 VanDerWaalsContact CE1-CG 3.43Å; H108-L167 WeakPolarHBondContact CE1-CG 3.33Å
109	L	90.3	Very high	91	Very high	14 Å²	14	47.2 Å²	47.2	7%	0.073	25%	0.253	C	S	.	.	H	α-helix	trans	-58.7	-38.8	172.4	-72.1	-171.6	0	0	0	111.6	Y92 H94 Y99 P105 E106 C111 L112 E160 L183	Y92-L109 WeakPolarHBondContact OH-CD1 3.42Å; H94-L109 HydrophobicContact CB-CD1 4.06Å; Y99-L109 HydrophobicContact CD1-CD1 4.09Å; Y99-L109 HydrophobicContact CD2-CD1 3.65Å; Y99-L109 HydrophobicContact CE1-CD1 4.44Å; Y99-L109 HydrophobicContact CE2-CD1 4.01Å; Y99-L109 HydrophobicContact CG-CD1 3.7Å; P105-L109 PolarHBondContact O-N 2.85Å; P105-L109 VanDerWaalsContact O-N 3.09Å; E106-L109 PolarHBondContact O-N 3.42Å; L109-C111 VanDerWaalsContact C-N 3.27Å; L109-C111 PolarHBondContact O-N 2.87Å; L109-L112 VanDerWaalsContact O-CB 3.31Å; L109-L112 WeakPolarHBondContact O-CB 3.45Å; L109-L112 PolarHBondContact O-N 2.92Å; L109-E160 HydrophobicContact CD2-CB 3.66Å; L109-L183 HydrophobicContact CD2-CD2 4.18Å
110	K	88.4	Confident	90.9	Very high	130 Å²	130	50.4 Å²	50.4	57%	0.565	27%	0.27	S	S	*	.	H	α-helix	trans	-66	-24.6	178	-74.9	173.5	-178.8	165	0	114.2	E106 H108	E106-K110 VanDerWaalsContact CD-NZ 3.27Å; E106-K110 HydrophobicContact CG-CD 4.28Å; E106-K110 WeakPolarHBondContact O-CG 3.3Å; E106-K110 PolarHBondContact O-N 3.46Å; E106-K110 WeakPolarHBondContact OE1-CE 3.24Å; E106-K110 IonicContact OE1-NZ 3.12Å; E106-K110 PolarHBondContact OE1-NZ 3.45Å; E106-K110 IonicContact OE2-NZ 3.79Å; H108-K110 PolarHBondContact O-N 3.13Å
111	C	86.8	Confident	90.9	Very high	56 Å²	56	50.6 Å²	50.6	38%	0.378	27%	0.27	S	S	.	.	H	α-helix	trans	-103.3	4.9	179.1	71.8	0	0	0	0	113.3	E107 H108 L109 D113 G114	E107-C111 PolarHBondContact O-N 3.3Å; E107-C111 PolarHBondContact O-SG 3.37Å; H108-C111 PolarHBondContact O-N 3.45Å; H108-C111 VanDerWaalsContact O-N 3.15Å; H108-C111 PolarHBondContact O-SG 2.96Å; L109-C111 VanDerWaalsContact C-N 3.27Å; L109-C111 PolarHBondContact O-N 2.87Å; C111-D113 PolarHBondContact O-N 2.74Å; C111-G114 PolarHBondContact O-N 2.66Å
112	L	87.6	Confident	91.1	Very high	4 Å²	4	49 Å²	49	2%	0.021	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-61.6	-32.4	-175.8	-168.3	65.9	0	0	0	112.7	H108 L109 G114 L115 I159 L167 L183 P189	H108-L112 PolarHBondContact O-N 3.24Å; H108-L112 VanDerWaalsContact O-N 3.16Å; L109-L112 VanDerWaalsContact O-CB 3.31Å; L109-L112 WeakPolarHBondContact O-CB 3.45Å; L109-L112 PolarHBondContact O-N 2.92Å; L112-G114 PolarHBondContact O-N 2.78Å; L112-G114 VanDerWaalsContact O-N 3.11Å; L112-L115 VanDerWaalsContact O-CB 3.32Å; L112-L115 WeakPolarHBondContact O-CB 3.36Å; L112-L115 PolarHBondContact O-N 3.01Å; L112-I159 HydrophobicContact CD1-CB 4.01Å; L112-I159 HydrophobicContact CD1-CG1 4.13Å; L112-I159 WeakPolarHBondContact CD1-O 3.33Å; L112-I159 HydrophobicContact CD2-CD1 4.49Å; L112-I159 HydrophobicContact CD2-CG1 4.47Å; L112-L167 HydrophobicContact CD1-CD2 4.17Å; L112-L183 HydrophobicContact CD2-CD1 3.28Å; L112-P189 HydrophobicContact CD2-CG 4.29Å; L112-P189 HydrophobicContact CG-CG 3.8Å; L112-P189 VanDerWaalsContact O-CG 3.28Å; L112-P189 WeakPolarHBondContact O-CG 3.3Å
113	D	84.9	Confident	91.4	Very high	111 Å²	111	48.4 Å²	48.4	59%	0.594	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-60.7	-18.4	175.1	-71.7	-27.6	0	0	0	113.2	C111 L115	C111-D113 PolarHBondContact O-N 2.74Å; D113-L115 PolarHBondContact O-N 2.92Å
114	G	86.1	Confident	91.8	Very high	63 Å²	63	47.6 Å²	47.6	65%	0.649	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-73.5	-8.6	172.4	0	0	0	0	0	114.2	C111 L112 E116	C111-G114 PolarHBondContact O-N 2.66Å; L112-G114 PolarHBondContact O-N 2.78Å; L112-G114 VanDerWaalsContact O-N 3.11Å; G114-E116 PolarHBondContact O-N 3.14Å
115	L	90.1	Very high	92.1	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	25%	0.253	C	S	.	.			trans	-82.8	102.2	173.8	-174.7	62.2	0	0	0	110.3	L112 D113 I159 L167 A170 V171 S191 F192	L112-L115 VanDerWaalsContact O-CB 3.32Å; L112-L115 WeakPolarHBondContact O-CB 3.36Å; L112-L115 PolarHBondContact O-N 3.01Å; D113-L115 PolarHBondContact O-N 2.92Å; L115-I159 HydrophobicContact CD2-CB 3.91Å; L115-I159 HydrophobicContact CD2-CG2 3.61Å; L115-L167 HydrophobicContact CB-CD2 3.9Å; L115-L167 HydrophobicContact CD1-CD2 4.15Å; L115-L167 HydrophobicContact CD2-CD2 3.86Å; L115-L167 HydrophobicContact CG-CD2 4.18Å; L115-A170 HydrophobicContact CD1-CB 4.32Å; L115-V171 HydrophobicContact CD1-CG2 4.08Å; L115-S191 PolarHBondContact O-OG 3.07Å; L115-S191 VanDerWaalsContact O-OG 3.14Å; L115-F192 HydrophobicContact CD2-CE2 4.23Å; L115-F192 HydrophobicContact CD2-CZ 4Å; L115-F192 HydrophobicContact CG-CE2 4.44Å; L115-F192 HydrophobicContact CG-CZ 4.23Å
116	E	93.4	Very high	92.5	Very high	121 Å²	121	46.8 Å²	46.8	57%	0.565	25%	0.248	S	C	*	.			trans	-80.7	133.2	176.1	-67.1	-60.6	153.1	0	0	112	G114 R177 S191	G114-E116 PolarHBondContact O-N 3.14Å; E116-R177 PolarHBondContact O-NH2 3.32Å; E116-S191 WeakPolarHBondContact OE2-CB 3.44Å
117	A	95.6	Very high	92.8	Very high	8 Å²	8	43.1 Å²	43.1	7%	0.066	23%	0.231	C	C	.	.			trans	-71.4	149.7	172.6	0	0	0	0	0	112.2	D121 S191 F192 K195	A117-D121 WeakPolarHBondContact CA-OD2 3.48Å; A117-S191 PolarHBondContact N-OG 2.81Å; A117-S191 VanDerWaalsContact N-OG 3.1Å; A117-F192 HydrophobicContact CB-CB 4.33Å; A117-F192 HydrophobicContact CB-CD1 3.44Å; A117-F192 VanDerWaalsContact CB-CD1 3.44Å; A117-F192 HydrophobicContact CB-CE1 3.74Å; A117-F192 HydrophobicContact CB-CG 3.89Å; A117-F192 HydrophobicContact CB-CZ 4.42Å; A117-K195 HydrophobicContact CB-CB 3.97Å; A117-K195 HydrophobicContact CB-CG 3.96Å
118	R	95.6	Very high	93.1	Very high	66 Å²	66	37.1 Å²	37.1	25%	0.249	20%	0.203	C	C	.	.			trans	-105.1	158.4	169.2	-57.6	174.9	-171.5	170	5	109.8	D120 D121 V171 A173 S175 R177	R118-D120 PolarHBondContact O-N 3.32Å; R118-D121 PolarHBondContact N-OD2 3.05Å; R118-D121 PolarHBondContact O-N 2.85Å; R118-V171 PolarHBondContact NH2-O 2.87Å; R118-A173 PolarHBondContact NH1-O 3.46Å; R118-A173 PolarHBondContact NH2-O 2.98Å; R118-S175 VanDerWaalsContact CD-OG 3.24Å; R118-S175 WeakPolarHBondContact CD-OG 3.35Å; R118-S175 PolarHBondContact NH1-OG 2.86Å; R118-S175 VanDerWaalsContact NH1-OG 3.07Å; R118-R177 VanDerWaalsContact CZ-CD 3.45Å
119	D	95.2	Very high	93.5	Very high	123 Å²	123	38.3 Å²	38.3	66%	0.658	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.4	-176.5	-60.7	-32.6	0	0	0	112.9	K195	D119-K195 WeakPolarHBondContact OD1-CD 3.11Å; D119-K195 WeakPolarHBondContact OD1-CE 3.24Å; D119-K195 IonicContact OD1-NZ 2.74Å; D119-K195 PolarHBondContact OD1-NZ 2.89Å; D119-K195 IonicContact OD2-NZ 3.81Å
120	D	93.9	Very high	93.8	Very high	68 Å²	68	37.6 Å²	37.6	36%	0.364	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	14.3	-178.3	72.7	-25.6	0	0	0	114	R118 S175 P176	R118-D120 PolarHBondContact O-N 3.32Å; D120-S175 WeakPolarHBondContact OD1-CB 3.25Å; D120-S175 PolarHBondContact OD1-OG 3.06Å; D120-S175 WeakPolarHBondContact OD2-CB 3.21Å; D120-S175 PolarHBondContact OD2-OG 2.84Å; D120-P176 HydrophobicContact CB-CB 4.28Å; D120-P176 WeakPolarHBondContact O-CB 3.47Å; D120-P176 VanDerWaalsContact OD2-CA 3.26Å; D120-P176 WeakPolarHBondContact OD2-CA 3.47Å
121	D	95.8	Very high	94	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	19%	0.185	C	C	.	.			trans	-65.9	146.5	174.4	-76.1	-17.3	0	0	0	111.7	A117 R118 R177 T197	A117-D121 WeakPolarHBondContact CA-OD2 3.48Å; R118-D121 PolarHBondContact N-OD2 3.05Å; R118-D121 PolarHBondContact O-N 2.85Å; D121-R177 VanDerWaalsContact OD1-CB 3.26Å; D121-R177 WeakPolarHBondContact OD1-CB 3.36Å; D121-R177 WeakPolarHBondContact OD1-CG 3.26Å; D121-R177 IonicContact OD1-CZ 3.55Å; D121-R177 IonicContact OD1-NE 2.66Å; D121-R177 PolarHBondContact OD1-NE 3.24Å; D121-R177 IonicContact OD1-NH2 3.16Å; D121-R177 IonicContact OD2-CZ 3.81Å; D121-R177 IonicContact OD2-NE 2.87Å; D121-R177 PolarHBondContact OD2-NE 2.66Å; D121-R177 IonicContact OD2-NH2 3.54Å; D121-R177 PolarHBondContact OD2-NH2 2.79Å; D121-T197 HydrophobicContact CB-CG2 3.85Å; D121-T197 WeakPolarHBondContact O-CG2 3.48Å
122	I	96.5	Very high	94.3	Very high	7 Å²	7	29.7 Å²	29.7	4%	0.036	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.1	172	-56.7	169.3	0	0	0	107.7	M139 I143 R177 F178 L179 I284 F286	I122-M139 HydrophobicContact CG2-CE 3.5Å; I122-M139 VanDerWaalsContact CG2-CE 3.5Å; I122-I143 HydrophobicContact CD1-CD1 4.42Å; I122-I143 HydrophobicContact CD1-CG1 4.37Å; I122-R177 PolarHBondContact N-O 3.12Å; I122-F178 HydrophobicContact CB-CD2 4.41Å; I122-F178 HydrophobicContact CG2-CD2 4.22Å; I122-L179 PolarHBondContact O-N 2.78Å; I122-I284 HydrophobicContact CD1-CB 4.41Å; I122-I284 HydrophobicContact CD1-CD1 4.41Å; I122-I284 HydrophobicContact CG2-CG2 4.19Å; I122-F286 HydrophobicContact CD1-CE2 3.89Å; I122-F286 HydrophobicContact CD1-CZ 3.93Å
123	M	97.9	Very high	94.5	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.1	179.5	-174.8	64.1	70.2	0	0	110.6	V125 I159 L179 T181 M188 F192 T197 K198 T199 V200	M123-V125 HydrophobicContact CG-CG2 3.85Å; M123-I159 HydrophobicContact CE-CD1 4.07Å; M123-L179 HydrophobicContact CE-CB 3.83Å; M123-L179 HydrophobicContact CE-CD1 4.11Å; M123-L179 HydrophobicContact SD-CB 3.88Å; M123-T181 HydrophobicContact CG-CG2 4.44Å; M123-T181 HydrophobicContact SD-CG2 3.9Å; M123-M188 HydrophobicContact CE-CE 4.24Å; M123-M188 HydrophobicContact CG-CE 3.98Å; M123-M188 HydrophobicContact SD-CE 4.41Å; M123-F192 HydrophobicContact CE-CD1 3.79Å; M123-F192 HydrophobicContact CE-CD2 4.23Å; M123-F192 HydrophobicContact CE-CE1 3.52Å; M123-F192 HydrophobicContact CE-CE2 3.98Å; M123-F192 HydrophobicContact CE-CG 4.16Å; M123-F192 HydrophobicContact CE-CZ 3.61Å; M123-T197 HydrophobicContact CB-CG2 3.99Å; M123-K198 PolarHBondContact N-O 2.84Å; M123-T199 HydrophobicContact CB-CG2 4.16Å; M123-T199 HydrophobicContact CG-CG2 4.15Å; M123-T199 CarbonylContact O-C 3.54Å; M123-T199 WeakPolarHBondContact O-CA 3.34Å; M123-V200 PolarHBondContact O-N 3.31Å
124	L	98.4	Very high	94.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.4	166.1	175.2	63	0	0	0	109.7	F132 M135 V136 M139 F178 L179 G180 T181 V200 V202	L124-F132 HydrophobicContact CB-CE2 4.28Å; L124-F132 HydrophobicContact CD2-CD2 3.9Å; L124-F132 HydrophobicContact CD2-CE2 3.8Å; L124-F132 HydrophobicContact CD2-CG 4.44Å; L124-F132 HydrophobicContact CD2-CZ 4.25Å; L124-F132 HydrophobicContact CG-CD2 3.91Å; L124-F132 HydrophobicContact CG-CE2 3.74Å; L124-M135 HydrophobicContact CD1-CB 4.07Å; L124-M135 HydrophobicContact CD2-CB 3.92Å; L124-V136 HydrophobicContact CD2-CG2 3.66Å; L124-M139 HydrophobicContact CB-SD 4.12Å; L124-M139 HydrophobicContact CD1-SD 3.89Å; L124-M139 HydrophobicContact CD2-SD 4.27Å; L124-M139 HydrophobicContact CG-SD 4.32Å; L124-F178 HydrophobicContact CB-CE2 3.7Å; L124-F178 HydrophobicContact CB-CZ 3.94Å; L124-F178 HydrophobicContact CD2-CZ 3.92Å; L124-L179 PolarHBondContact N-O 3.33Å; L124-G180 CarbonylContact O-C 3.49Å; L124-G180 VanDerWaalsContact O-CA 3.27Å; L124-G180 WeakPolarHBondContact O-CA 3.4Å; L124-T181 PolarHBondContact O-N 3.37Å; L124-V200 CarbonylContact C-O 3.54Å; L124-V200 WeakPolarHBondContact CA-O 3.25Å; L124-V200 HydrophobicContact CD1-CB 4.43Å; L124-V200 HydrophobicContact CD1-CG1 4.39Å; L124-V202 HydrophobicContact CD1-CG2 3.57Å
125	V	98.4	Very high	95.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.9	175.1	-173.8	0	0	0	0	109.4	M123 T181 M188 T199 V200 V201 V202 W252	M123-V125 HydrophobicContact CG-CG2 3.85Å; V125-T181 WeakPolarHBondContact CA-O 3.38Å; V125-T181 HydrophobicContact CB-CG2 4.41Å; V125-T181 HydrophobicContact CG1-CG2 4.3Å; V125-T181 HydrophobicContact CG2-CG2 3.74Å; V125-M188 HydrophobicContact CG2-CE 4.39Å; V125-M188 HydrophobicContact CG2-SD 4.4Å; V125-T199 HydrophobicContact CG2-CG2 3.58Å; V125-V200 PolarHBondContact N-O 3.28Å; V125-V201 HydrophobicContact CB-CB 4.45Å; V125-V201 HydrophobicContact CB-CG1 4.18Å; V125-V201 HydrophobicContact CB-CG2 4.2Å; V125-V201 HydrophobicContact CG1-CG1 4.3Å; V125-V201 CarbonylContact O-C 3.55Å; V125-V201 WeakPolarHBondContact O-CA 3.12Å; V125-V202 PolarHBondContact O-N 3.19Å; V125-W252 HydrophobicContact CB-CZ2 4.01Å; V125-W252 HydrophobicContact CG1-CZ2 3.66Å; V125-W252 HydrophobicContact CG2-CH2 4.03Å; V125-W252 HydrophobicContact CG2-CZ2 3.7Å
126	A	97.9	Very high	95.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	141.6	164.3	0	0	0	0	0	109.7	C130 F132 T181 H182 V202	A126-C130 HydrophobicContact CB-CB 4.33Å; A126-F132 HydrophobicContact CB-CB 3.91Å; A126-F132 HydrophobicContact CB-CD2 3.93Å; A126-F132 HydrophobicContact CB-CG 4.42Å; A126-T181 PolarHBondContact N-O 3.48Å; A126-H182 WeakPolarHBondContact O-CA 3.33Å; A126-H182 PolarHBondContact O-ND1 3.17Å; A126-V202 HydrophobicContact CB-CB 4.1Å
127	Y	97.9	Very high	95.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.098	C	C	.	.			trans	-58.8	144.8	160.7	-174.2	-91.8	0	0	0	108.8	K129 C130 T209 Y213 F235 V240 G243 Y245 H248	Y127-K129 PolarHBondContact O-N 3.24Å; Y127-C130 WeakPolarHBondContact O-CB 3.5Å; Y127-C130 PolarHBondContact O-N 3.08Å; Y127-T209 HydrophobicContact CD1-CG2 3.94Å; Y127-T209 HydrophobicContact CE1-CG2 4.21Å; Y127-Y213 HydrophobicContact CE1-CD1 4.11Å; Y127-Y213 HydrophobicContact CE1-CE1 4.16Å; Y127-F235 AromaticContact CE1-CE2 3.99Å; Y127-F235 HydrophobicContact CE1-CE2 3.99Å; Y127-F235 HydrophobicContact CE1-CZ 4.5Å; Y127-V240 WeakPolarHBondContact OH-CG2 3.44Å; Y127-G243 WeakPolarHBondContact CE2-O 3.42Å; Y127-G243 PolarHBondContact OH-O 3.23Å; Y127-Y245 AromaticContact CD1-CD2 3.67Å; Y127-Y245 HydrophobicContact CD1-CD2 3.67Å; Y127-Y245 HydrophobicContact CE1-CD2 4.05Å; Y127-Y245 AromaticContact CG-CD2 4Å; Y127-Y245 HydrophobicContact CG-CD2 4Å; Y127-H248 HydrophobicContact CD2-CB 3.84Å; Y127-H248 AromaticContact CD2-CG 3.84Å; Y127-H248 HydrophobicContact CE2-CB 4.47Å
128	P	96.4	Very high	95.1	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.019	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.4	131.3	-179.9	-30.8	34.6	0	0	0	112.1	C130 H182 Y213 W242	P128-C130 VanDerWaalsContact C-N 3.28Å; P128-C130 PolarHBondContact O-N 3.12Å; P128-H182 HydrophobicContact CG-CB 4.35Å; P128-Y213 HydrophobicContact CB-CD1 4.33Å; P128-Y213 HydrophobicContact CB-CE1 3.96Å; P128-Y213 HydrophobicContact CB-CE2 4.2Å; P128-Y213 HydrophobicContact CG-CE1 4.36Å; P128-W242 HydrophobicContact CB-CE3 4.06Å; P128-W242 HydrophobicContact CB-CZ3 4.4Å; P128-W242 HydrophobicContact CG-CB 3.77Å; P128-W242 HydrophobicContact CG-CD2 3.53Å; P128-W242 HydrophobicContact CG-CE3 3.26Å; P128-W242 HydrophobicContact CG-CG 3.75Å; P128-W242 HydrophobicContact CG-CZ3 4.01Å
129	K	95.4	Very high	95	Very high	25 Å²	25	15 Å²	15	11%	0.109	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	15.6	177	-45.6	-52.8	-63.4	-173	0	116.9	Y127 G131 S212 Y213 F216	Y127-K129 PolarHBondContact O-N 3.24Å; K129-G131 PolarHBondContact O-N 2.87Å; K129-S212 WeakPolarHBondContact CE-O 3.32Å; K129-S212 VanDerWaalsContact CE-OG 3.23Å; K129-S212 WeakPolarHBondContact CE-OG 3.25Å; K129-Y213 HydrophobicContact CG-CD2 4Å; K129-Y213 HydrophobicContact CG-CG 4.04Å; K129-F216 HydrophobicContact CD-CB 3.68Å; K129-F216 HydrophobicContact CD-CD1 3.88Å; K129-F216 HydrophobicContact CD-CD2 4.21Å; K129-F216 HydrophobicContact CD-CG 3.66Å; K129-F216 HydrophobicContact CG-CB 4.24Å
130	C	96.9	Very high	94.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.056	C	C	.	.	S	Bend	trans	-82.4	14.7	167.3	-65.9	0	0	0	0	114.5	A126 Y127 P128 V202 R204	A126-C130 HydrophobicContact CB-CB 4.33Å; Y127-C130 WeakPolarHBondContact O-CB 3.5Å; Y127-C130 PolarHBondContact O-N 3.08Å; P128-C130 VanDerWaalsContact C-N 3.28Å; P128-C130 PolarHBondContact O-N 3.12Å; C130-V202 WeakPolarHBondContact CB-O 3.31Å; C130-V202 WeakPolarHBondContact O-CG1 3.36Å; C130-R204 HydrophobicContact CB-CB 3.91Å
131	G	93.1	Very high	94.7	Very high	14 Å²	14	10 Å²	10	14%	0.144	5%	0.052	C	C	.	.	S	Bend	trans	101	14.3	176.8	0	0	0	0	0	116	K129 N133 W134 M135	K129-G131 PolarHBondContact O-N 2.87Å; G131-N133 PolarHBondContact O-N 2.79Å; G131-W134 WeakPolarHBondContact O-CB 3.39Å; G131-W134 PolarHBondContact O-N 2.82Å; G131-W134 VanDerWaalsContact O-N 3.1Å; G131-M135 PolarHBondContact O-N 3.22Å
132	F	94.3	Very high	94.6	Very high	5 Å²	5	9.9 Å²	9.9	2%	0.022	5%	0.052	C	C	.	.	H	α-helix	trans	-45.4	-55	-179.7	-174.3	-92.4	0	0	0	114.6	L124 A126 W134 M135 V136 M155 L158 H182	L124-F132 HydrophobicContact CB-CE2 4.28Å; L124-F132 HydrophobicContact CD2-CD2 3.9Å; L124-F132 HydrophobicContact CD2-CE2 3.8Å; L124-F132 HydrophobicContact CD2-CG 4.44Å; L124-F132 HydrophobicContact CD2-CZ 4.25Å; L124-F132 HydrophobicContact CG-CD2 3.91Å; L124-F132 HydrophobicContact CG-CE2 3.74Å; A126-F132 HydrophobicContact CB-CB 3.91Å; A126-F132 HydrophobicContact CB-CD2 3.93Å; A126-F132 HydrophobicContact CB-CG 4.42Å; F132-W134 VanDerWaalsContact C-N 3.28Å; F132-W134 PolarHBondContact O-N 2.87Å; F132-M135 CarbonylContact O-C 3.49Å; F132-M135 PolarHBondContact O-N 3.2Å; F132-M135 VanDerWaalsContact O-N 3.09Å; F132-V136 HydrophobicContact CD1-CG2 3.9Å; F132-V136 HydrophobicContact CE1-CG2 3.51Å; F132-V136 HydrophobicContact CZ-CG2 3.95Å; F132-V136 WeakPolarHBondContact O-CG2 3.42Å; F132-V136 PolarHBondContact O-N 3.11Å; F132-M155 HydrophobicContact CE1-CE 4.17Å; F132-L158 HydrophobicContact CE1-CD1 3.81Å; F132-L158 HydrophobicContact CE1-CD2 3.92Å; F132-L158 HydrophobicContact CE1-CG 3.98Å; F132-L158 HydrophobicContact CZ-CD1 3.96Å; F132-L158 HydrophobicContact CZ-CD2 4.15Å; F132-L158 HydrophobicContact CZ-CG 3.86Å; F132-H182 AromaticContact CD2-CE1 3.76Å; F132-H182 AromaticContact CG-CE1 3.56Å
133	N	90.6	Very high	94.4	Very high	32 Å²	32	10 Å²	10	17%	0.171	5%	0.052	C	C	.	.	H	α-helix	trans	-64.7	-31.3	-176.6	-69.5	-59.6	0	0	0	113.5	G131 G137 M155 H313 I320 F321	G131-N133 PolarHBondContact O-N 2.79Å; N133-G137 PolarHBondContact O-N 3.12Å; N133-M155 WeakPolarHBondContact OD1-CE 3.34Å; N133-H313 PolarHBondContact OD1-NE2 3.16Å; N133-I320 HydrophobicContact CB-CG2 3.69Å; N133-I320 WeakPolarHBondContact ND2-CG2 3.22Å; N133-F321 HydrophobicContact CB-CE2 4.39Å; N133-F321 HydrophobicContact CB-CZ 4.01Å
134	W	92.2	Very high	94	Very high	21 Å²	21	11.6 Å²	11.6	8%	0.08	7%	0.065	C	C	.	.	H	α-helix	trans	-67.3	-46.6	173.4	176.9	35.8	0	0	0	110.3	G131 F132 V136 G137 V138 F266 L269 K270 L273 S300	G131-W134 WeakPolarHBondContact O-CB 3.39Å; G131-W134 PolarHBondContact O-N 2.82Å; G131-W134 VanDerWaalsContact O-N 3.1Å; F132-W134 VanDerWaalsContact C-N 3.28Å; F132-W134 PolarHBondContact O-N 2.87Å; W134-V136 VanDerWaalsContact C-N 3.34Å; W134-V136 PolarHBondContact O-N 2.89Å; W134-G137 WeakPolarHBondContact O-CA 3.32Å; W134-G137 PolarHBondContact O-N 3.46Å; W134-V138 PolarHBondContact O-N 3.42Å; W134-F266 HydrophobicContact CD2-CE2 4.47Å; W134-F266 AromaticContact CE3-CD2 3.61Å; W134-F266 HydrophobicContact CE3-CD2 3.61Å; W134-F266 AromaticContact CE3-CE2 3.46Å; W134-F266 HydrophobicContact CE3-CE2 3.46Å; W134-F266 VanDerWaalsContact CE3-CE2 3.46Å; W134-F266 HydrophobicContact CE3-CZ 4.46Å; W134-F266 AromaticContact CZ3-CD2 3.64Å; W134-F266 HydrophobicContact CZ3-CD2 3.64Å; W134-F266 AromaticContact CZ3-CE2 3.63Å; W134-F266 HydrophobicContact CZ3-CE2 3.63Å; W134-F266 HydrophobicContact CZ3-CG 4.35Å; W134-F266 HydrophobicContact CZ3-CZ 4.35Å; W134-L269 HydrophobicContact CH2-CB 3.63Å; W134-L269 HydrophobicContact CZ3-CB 3.74Å; W134-L269 HydrophobicContact CZ3-CD1 4.47Å; W134-K270 HydrophobicContact CH2-CB 4.33Å; W134-L273 HydrophobicContact CH2-CD1 4.38Å; W134-L273 HydrophobicContact CZ2-CD1 3.89Å; W134-L273 HydrophobicContact CZ2-CD2 4.1Å; W134-S300 PolarHBondContact NE1-O 2.78Å
135	M	94.6	Very high	93.7	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-66.6	-32.7	178.6	-77.7	-52.8	-59.1	0	0	114	L124 G131 F132 G137 V138 M139 V202 L269 I280	L124-M135 HydrophobicContact CD1-CB 4.07Å; L124-M135 HydrophobicContact CD2-CB 3.92Å; G131-M135 PolarHBondContact O-N 3.22Å; F132-M135 CarbonylContact O-C 3.49Å; F132-M135 PolarHBondContact O-N 3.2Å; F132-M135 VanDerWaalsContact O-N 3.09Å; M135-G137 VanDerWaalsContact C-N 3.29Å; M135-G137 PolarHBondContact O-N 3.34Å; M135-V138 HydrophobicContact CE-CB 4.4Å; M135-V138 HydrophobicContact CE-CG1 4.35Å; M135-V138 PolarHBondContact O-N 2.99Å; M135-V138 HydrophobicContact SD-CB 4.25Å; M135-V138 HydrophobicContact SD-CG2 4.32Å; M135-M139 HydrophobicContact CE-CG 4Å; M135-M139 HydrophobicContact CE-SD 4.4Å; M135-M139 WeakPolarHBondContact O-CB 3.36Å; M135-M139 VanDerWaalsContact O-CG 3.31Å; M135-M139 WeakPolarHBondContact O-CG 3.36Å; M135-M139 PolarHBondContact O-N 2.82Å; M135-V202 HydrophobicContact CB-CG2 4.1Å; M135-V202 HydrophobicContact CG-CG1 4.2Å; M135-V202 HydrophobicContact CG-CG2 3.69Å; M135-L269 HydrophobicContact CE-CD1 4.35Å; M135-L269 HydrophobicContact CG-CD1 4.11Å; M135-L269 HydrophobicContact SD-CD1 3.42Å; M135-L269 WeakPolarHBondContact SD-CD1 3.36Å; M135-L269 HydrophobicContact SD-CD2 4.5Å; M135-I280 HydrophobicContact CE-CD1 3.35Å
136	V	92.8	Very high	93.4	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.018	9%	0.091	C	C	.	.	H	α-helix	trans	-54.7	-48.5	166.3	164	0	0	0	0	110.8	L124 F132 W134 V138 K140 M155 P156 F178	L124-V136 HydrophobicContact CD2-CG2 3.66Å; F132-V136 HydrophobicContact CD1-CG2 3.9Å; F132-V136 HydrophobicContact CE1-CG2 3.51Å; F132-V136 HydrophobicContact CZ-CG2 3.95Å; F132-V136 WeakPolarHBondContact O-CG2 3.42Å; F132-V136 PolarHBondContact O-N 3.11Å; W134-V136 VanDerWaalsContact C-N 3.34Å; W134-V136 PolarHBondContact O-N 2.89Å; V136-V138 VanDerWaalsContact C-N 3.35Å; V136-V138 PolarHBondContact O-N 3.39Å; V136-K140 HydrophobicContact CG1-CD 3.73Å; V136-K140 HydrophobicContact CG1-CG 4.46Å; V136-K140 VanDerWaalsContact O-CB 3.31Å; V136-K140 WeakPolarHBondContact O-CB 3.11Å; V136-K140 WeakPolarHBondContact O-CG 3.45Å; V136-K140 PolarHBondContact O-N 3.37Å; V136-M155 HydrophobicContact CG1-CE 4.38Å; V136-M155 HydrophobicContact CG1-SD 3.84Å; V136-M155 HydrophobicContact CG2-CE 4.27Å; V136-P156 HydrophobicContact CG1-CG 4.17Å; V136-P156 HydrophobicContact CG2-CG 3.7Å; V136-F178 HydrophobicContact CB-CE1 4.47Å; V136-F178 HydrophobicContact CG1-CE1 4.32Å; V136-F178 HydrophobicContact CG2-CE1 4.35Å; V136-F178 HydrophobicContact CG2-CZ 4.42Å
137	G	90.2	Very high	92.9	Very high	10 Å²	10	17.7 Å²	17.7	10%	0.103	10%	0.103	C	C	.	.	H	α-helix	trans	-62.9	-39.4	179.9	0	0	0	0	0	113.7	N133 W134 M135 K141	N133-G137 PolarHBondContact O-N 3.12Å; W134-G137 WeakPolarHBondContact O-CA 3.32Å; W134-G137 PolarHBondContact O-N 3.46Å; M135-G137 VanDerWaalsContact C-N 3.29Å; M135-G137 PolarHBondContact O-N 3.34Å; G137-K141 WeakPolarHBondContact O-CG 3.44Å; G137-K141 PolarHBondContact O-N 3.5Å; G137-K141 PolarHBondContact O-NZ 3.07Å
138	V	93.4	Very high	92.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-67.7	-56.6	176.7	173.7	0	0	0	0	110.3	W134 M135 V136 K140 K141 I142 L273 I277	W134-V138 PolarHBondContact O-N 3.42Å; M135-V138 HydrophobicContact CE-CB 4.4Å; M135-V138 HydrophobicContact CE-CG1 4.35Å; M135-V138 PolarHBondContact O-N 2.99Å; M135-V138 HydrophobicContact SD-CB 4.25Å; M135-V138 HydrophobicContact SD-CG2 4.32Å; V136-V138 VanDerWaalsContact C-N 3.35Å; V136-V138 PolarHBondContact O-N 3.39Å; V138-K140 VanDerWaalsContact C-N 3.29Å; V138-K140 PolarHBondContact O-N 3.09Å; V138-K141 PolarHBondContact O-N 3.36Å; V138-K141 VanDerWaalsContact O-N 3.08Å; V138-I142 HydrophobicContact CG1-CD1 3.92Å; V138-I142 HydrophobicContact CG1-CG1 4.48Å; V138-I142 WeakPolarHBondContact O-CG1 3.26Å; V138-I142 PolarHBondContact O-N 2.88Å; V138-L273 HydrophobicContact CG1-CD1 4.49Å; V138-L273 HydrophobicContact CG2-CD1 4.16Å; V138-I277 HydrophobicContact CG1-CD1 4.45Å; V138-I277 HydrophobicContact CG1-CG1 3.87Å
139	M	94	Very high	91.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.2	-36	-175.3	-69.6	-175.3	75.3	0	0	112.3	I122 L124 M135 K141 I142 I143 F178 V200	I122-M139 HydrophobicContact CG2-CE 3.5Å; I122-M139 VanDerWaalsContact CG2-CE 3.5Å; L124-M139 HydrophobicContact CB-SD 4.12Å; L124-M139 HydrophobicContact CD1-SD 3.89Å; L124-M139 HydrophobicContact CD2-SD 4.27Å; L124-M139 HydrophobicContact CG-SD 4.32Å; M135-M139 HydrophobicContact CE-CG 4Å; M135-M139 HydrophobicContact CE-SD 4.4Å; M135-M139 WeakPolarHBondContact O-CB 3.36Å; M135-M139 VanDerWaalsContact O-CG 3.31Å; M135-M139 WeakPolarHBondContact O-CG 3.36Å; M135-M139 PolarHBondContact O-N 2.82Å; M139-K141 VanDerWaalsContact C-N 3.33Å; M139-K141 PolarHBondContact O-N 3.26Å; M139-I142 WeakPolarHBondContact O-CB 3.37Å; M139-I142 PolarHBondContact O-N 3.27Å; M139-I143 WeakPolarHBondContact O-CB 3.39Å; M139-I143 WeakPolarHBondContact O-CD1 3.5Å; M139-I143 VanDerWaalsContact O-CG1 3.24Å; M139-I143 WeakPolarHBondContact O-CG1 3.27Å; M139-I143 PolarHBondContact O-N 3.3Å; M139-F178 HydrophobicContact CB-CE1 4.2Å; M139-F178 HydrophobicContact CB-CE2 4.01Å; M139-F178 HydrophobicContact CB-CZ 3.68Å; M139-F178 HydrophobicContact CE-CD2 4.34Å; M139-F178 HydrophobicContact CE-CE2 3.68Å; M139-F178 HydrophobicContact CE-CZ 4.42Å; M139-F178 HydrophobicContact CG-CE2 4.5Å; M139-F178 HydrophobicContact CG-CZ 4.35Å; M139-F178 HydrophobicContact SD-CE2 3.67Å; M139-F178 HydrophobicContact SD-CZ 3.87Å; M139-V200 HydrophobicContact CE-CB 4.23Å; M139-V200 HydrophobicContact CE-CG2 3.83Å; M139-V200 HydrophobicContact SD-CB 4.31Å; M139-V200 HydrophobicContact SD-CG2 4.46Å
140	K	90.9	Very high	90	Very high	24 Å²	24	35.8 Å²	35.8	10%	0.104	19%	0.186	C	C	.	.	H	α-helix	trans	-66.9	-34.6	176.5	-72.9	178.5	67.1	163.9	0	113.4	V136 V138 A144 N151 S153 K154 F178	V136-K140 HydrophobicContact CG1-CD 3.73Å; V136-K140 HydrophobicContact CG1-CG 4.46Å; V136-K140 VanDerWaalsContact O-CB 3.31Å; V136-K140 WeakPolarHBondContact O-CB 3.11Å; V136-K140 WeakPolarHBondContact O-CG 3.45Å; V136-K140 PolarHBondContact O-N 3.37Å; V138-K140 VanDerWaalsContact C-N 3.29Å; V138-K140 PolarHBondContact O-N 3.09Å; K140-A144 WeakPolarHBondContact O-CB 3.15Å; K140-A144 PolarHBondContact O-N 3.33Å; K140-N151 WeakPolarHBondContact CE-ND2 3.26Å; K140-S153 PolarHBondContact NZ-O 3.31Å; K140-K154 PolarHBondContact NZ-O 2.83Å; K140-F178 HydrophobicContact CD-CD1 4.23Å; K140-F178 HydrophobicContact CD-CE1 4.2Å; K140-F178 HydrophobicContact CG-CD1 3.62Å; K140-F178 HydrophobicContact CG-CE1 3.66Å
141	K	91.4	Very high	88.3	Confident	64 Å²	64	39.4 Å²	39.4	28%	0.278	21%	0.205	S	C	.	.	H	α-helix	trans	-69.9	-41.2	173.1	-72.4	-177.1	-170.1	72	0	110.8	G137 V138 M139 I143 A144 E145 V296 A299 S300	G137-K141 WeakPolarHBondContact O-CG 3.44Å; G137-K141 PolarHBondContact O-N 3.5Å; G137-K141 PolarHBondContact O-NZ 3.07Å; V138-K141 PolarHBondContact O-N 3.36Å; V138-K141 VanDerWaalsContact O-N 3.08Å; M139-K141 VanDerWaalsContact C-N 3.33Å; M139-K141 PolarHBondContact O-N 3.26Å; K141-I143 PolarHBondContact O-N 3.05Å; K141-A144 PolarHBondContact O-N 3.18Å; K141-E145 VanDerWaalsContact O-CB 3.27Å; K141-E145 WeakPolarHBondContact O-CB 3.46Å; K141-E145 PolarHBondContact O-N 3.42Å; K141-V296 HydrophobicContact CB-CG1 3.8Å; K141-V296 HydrophobicContact CB-CG2 4.13Å; K141-V296 HydrophobicContact CD-CG1 4.49Å; K141-A299 HydrophobicContact CD-CB 3.98Å; K141-A299 VanDerWaalsContact CE-O 3.29Å; K141-A299 WeakPolarHBondContact CE-O 3.23Å; K141-A299 PolarHBondContact NZ-O 2.64Å; K141-S300 WeakPolarHBondContact CD-OG 3.48Å
142	I	93.7	Very high	86.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-55.7	-52.6	172.1	-66.8	172.4	0	0	0	110.6	V138 M139 E145 A146 I277 I280 C281 I284 F286 L288 V296	V138-I142 HydrophobicContact CG1-CD1 3.92Å; V138-I142 HydrophobicContact CG1-CG1 4.48Å; V138-I142 WeakPolarHBondContact O-CG1 3.26Å; V138-I142 PolarHBondContact O-N 2.88Å; M139-I142 WeakPolarHBondContact O-CB 3.37Å; M139-I142 PolarHBondContact O-N 3.27Å; I142-E145 PolarHBondContact O-N 2.87Å; I142-A146 VanDerWaalsContact O-CB 3.26Å; I142-A146 WeakPolarHBondContact O-CB 3.42Å; I142-A146 PolarHBondContact O-N 3.35Å; I142-I277 HydrophobicContact CD1-CB 4.39Å; I142-I277 HydrophobicContact CD1-CG1 4.23Å; I142-I277 HydrophobicContact CD1-CG2 3.93Å; I142-I277 HydrophobicContact CG1-CG2 4.03Å; I142-I280 HydrophobicContact CD1-CB 4.44Å; I142-I280 HydrophobicContact CD1-CG2 4.02Å; I142-C281 WeakPolarHBondContact CG2-SG 3.33Å; I142-I284 HydrophobicContact CG2-CD1 4.06Å; I142-F286 HydrophobicContact CG2-CD2 3.98Å; I142-L288 HydrophobicContact CG1-CD1 4.38Å; I142-L288 HydrophobicContact CG2-CD1 4.29Å; I142-V296 HydrophobicContact CG1-CG1 4.16Å
143	I	91.6	Very high	85.3	Confident	8 Å²	8	50.6 Å²	50.6	4%	0.041	26%	0.261	C	S	.	.	H	α-helix	trans	-61.4	-47.2	-179.8	-67.6	156.9	0	0	0	110.8	I122 M139 K141 E145 A146 T147 F178 F286	I122-I143 HydrophobicContact CD1-CD1 4.42Å; I122-I143 HydrophobicContact CD1-CG1 4.37Å; M139-I143 WeakPolarHBondContact O-CB 3.39Å; M139-I143 WeakPolarHBondContact O-CD1 3.5Å; M139-I143 VanDerWaalsContact O-CG1 3.24Å; M139-I143 WeakPolarHBondContact O-CG1 3.27Å; M139-I143 PolarHBondContact O-N 3.3Å; K141-I143 PolarHBondContact O-N 3.05Å; I143-E145 VanDerWaalsContact C-N 3.31Å; I143-E145 PolarHBondContact O-N 2.94Å; I143-A146 PolarHBondContact O-N 3.22Å; I143-T147 HydrophobicContact CG2-CG2 4.22Å; I143-T147 WeakPolarHBondContact O-CB 3.39Å; I143-T147 WeakPolarHBondContact O-CG2 3.49Å; I143-T147 PolarHBondContact O-N 2.92Å; I143-T147 PolarHBondContact O-OG1 3.17Å; I143-F178 HydrophobicContact CD1-CB 3.73Å; I143-F178 HydrophobicContact CD1-CD1 4.2Å; I143-F178 HydrophobicContact CD1-CD2 4.09Å; I143-F178 HydrophobicContact CD1-CG 3.74Å; I143-F286 HydrophobicContact CB-CE2 4.42Å; I143-F286 HydrophobicContact CG1-CE2 3.78Å
144	A	90.5	Very high	84.1	Confident	34 Å²	34	55.2 Å²	55.2	28%	0.281	28%	0.28	S	S	.	.	H	α-helix	trans	-60.4	-42.5	179.8	0	0	0	0	0	111.6	K140 K141 Q148	K140-A144 WeakPolarHBondContact O-CB 3.15Å; K140-A144 PolarHBondContact O-N 3.33Å; K141-A144 PolarHBondContact O-N 3.18Å; A144-Q148 WeakPolarHBondContact O-CA 3.24Å; A144-Q148 PolarHBondContact O-N 2.99Å
145	E	91.6	Very high	82.9	Confident	50 Å²	50	56.3 Å²	56.3	23%	0.234	29%	0.286	C	S	.	.	H	α-helix	trans	-69.2	-42.1	178.6	-164.6	59.1	-141.2	0	0	112	K141 I142 I143 Q148 L288 Q292	K141-E145 VanDerWaalsContact O-CB 3.27Å; K141-E145 WeakPolarHBondContact O-CB 3.46Å; K141-E145 PolarHBondContact O-N 3.42Å; I142-E145 PolarHBondContact O-N 2.87Å; I143-E145 VanDerWaalsContact C-N 3.31Å; I143-E145 PolarHBondContact O-N 2.94Å; E145-Q148 PolarHBondContact O-NE2 2.9Å; E145-L288 HydrophobicContact CB-CD2 3.92Å; E145-L288 HydrophobicContact CG-CD2 3.75Å; E145-Q292 HydrophobicContact CG-CB 3.97Å; E145-Q292 HydrophobicContact CG-CG 3.8Å; E145-Q292 WeakPolarHBondContact OE1-CG 3.48Å; E145-Q292 PolarHBondContact OE1-NE2 3.33Å
146	A	91.1	Very high	82	Confident	37 Å²	37	56.7 Å²	56.7	31%	0.306	29%	0.289	S	S	.	.	H	α-helix	trans	-72.5	-35.3	-178.6	0	0	0	0	0	113.4	I142 I143 F286 L288	I142-A146 VanDerWaalsContact O-CB 3.26Å; I142-A146 WeakPolarHBondContact O-CB 3.42Å; I142-A146 PolarHBondContact O-N 3.35Å; I143-A146 PolarHBondContact O-N 3.22Å; A146-F286 HydrophobicContact CB-CB 3.82Å; A146-F286 HydrophobicContact CB-CD1 4.02Å; A146-F286 HydrophobicContact CB-CD2 3.75Å; A146-F286 HydrophobicContact CB-CE2 4.34Å; A146-F286 HydrophobicContact CB-CG 3.59Å; A146-L288 HydrophobicContact CB-CD2 4.12Å
147	T	88	Confident	81.3	Confident	42 Å²	42	58 Å²	58	26%	0.258	30%	0.297	S	S	.	.	H	α-helix	trans	-105.5	-12	-172.7	66.5	0	0	0	0	113.8	I143 M149 P176 F286	I143-T147 HydrophobicContact CG2-CG2 4.22Å; I143-T147 WeakPolarHBondContact O-CB 3.39Å; I143-T147 WeakPolarHBondContact O-CG2 3.49Å; I143-T147 PolarHBondContact O-N 2.92Å; I143-T147 PolarHBondContact O-OG1 3.17Å; T147-M149 HydrophobicContact CG2-CE 3.9Å; T147-M149 PolarHBondContact O-N 2.84Å; T147-M149 WeakPolarHBondContact OG1-CB 3.44Å; T147-M149 WeakPolarHBondContact OG1-CE 3.4Å; T147-M149 PolarHBondContact OG1-N 2.89Å; T147-P176 HydrophobicContact CG2-CG 4.49Å; T147-F286 HydrophobicContact CG2-CE1 4.25Å; T147-F286 HydrophobicContact CG2-CZ 4.06Å
148	Q	84.2	Confident	81.2	Confident	145 Å²	145	58.3 Å²	58.3	68%	0.678	30%	0.296	S	S	*	.			trans	57.4	13.5	-171.4	-57.3	-66.7	-51.8	0	0	113.9	A144 E145	A144-Q148 WeakPolarHBondContact O-CA 3.24Å; A144-Q148 PolarHBondContact O-N 2.99Å; E145-Q148 PolarHBondContact O-NE2 2.9Å
149	M	77.7	Confident	81.1	Confident	70 Å²	70	58.3 Å²	58.3	35%	0.345	30%	0.296	S	S	.	.			trans	-77.9	133.3	176.2	-66.3	-168.7	-69.9	0	0	110.8	T147 N151 P176	T147-M149 HydrophobicContact CG2-CE 3.9Å; T147-M149 PolarHBondContact O-N 2.84Å; T147-M149 WeakPolarHBondContact OG1-CB 3.44Å; T147-M149 WeakPolarHBondContact OG1-CE 3.4Å; T147-M149 PolarHBondContact OG1-N 2.89Å; M149-N151 PolarHBondContact O-N 2.93Å; M149-P176 HydrophobicContact CE-CG 4.03Å
150	K	68	Low	81	Confident	192 Å²	192	58.3 Å²	58.3	84%	0.835	30%	0.296	S	S	*	.			trans	-73.8	113.7	169.6	-70.1	-175.4	-179.5	178.7	0	108.9	E152	K150-E152 PolarHBondContact O-N 3.48Å; K150-E152 VanDerWaalsContact O-N 3.16Å
151	N	61.2	Low	80.8	Confident	76 Å²	76	58 Å²	58	41%	0.406	30%	0.295	S	S	.	.			trans	-80.2	97	178.8	-141.8	-31.1	0	0	0	108.8	K140 M149	K140-N151 WeakPolarHBondContact CE-ND2 3.26Å; M149-N151 PolarHBondContact O-N 2.93Å
152	E	59.8	Low	80.1	Confident	185 Å²	185	58.2 Å²	58.2	86%	0.864	30%	0.296	S	S	*	.			trans	-72.8	-36.9	-173.2	-64.8	-170.8	164.1	0	0	113.2	K150	K150-E152 PolarHBondContact O-N 3.48Å; K150-E152 VanDerWaalsContact O-N 3.16Å
153	S	64.3	Low	79.2	Confident	69 Å²	69	58.6 Å²	58.6	48%	0.483	30%	0.3	S	S	.	.	S	Bend	trans	-73.8	149.6	174.6	-178.9	0	0	0	0	110.3	K140 M155	K140-S153 PolarHBondContact NZ-O 3.31Å; S153-M155 PolarHBondContact OG-N 3.41Å; S153-M155 PolarHBondContact OG-O 2.89Å
154	K	65.6	Low	78.5	Confident	130 Å²	130	62.2 Å²	62.2	57%	0.565	32%	0.324	S	S	*	.	S	Bend	trans	-89.3	-25.1	175.9	-66.6	-176.2	-176.4	168.1	0	113.5	K140 N311	K140-K154 PolarHBondContact NZ-O 2.83Å; K154-N311 WeakPolarHBondContact CD-O 3.26Å; K154-N311 PolarHBondContact NZ-O 3.35Å
155	M	66.3	Low	78	Confident	43 Å²	43	64 Å²	64	21%	0.212	33%	0.326	C	S	.	.	S	Bend	trans	-124.9	144.3	175.4	-74.1	-61.5	-71.7	0	0	110.8	F132 N133 V136 S153 L158 H313	F132-M155 HydrophobicContact CE1-CE 4.17Å; N133-M155 WeakPolarHBondContact OD1-CE 3.34Å; V136-M155 HydrophobicContact CG1-CE 4.38Å; V136-M155 HydrophobicContact CG1-SD 3.84Å; V136-M155 HydrophobicContact CG2-CE 4.27Å; S153-M155 PolarHBondContact OG-N 3.41Å; S153-M155 PolarHBondContact OG-O 2.89Å; M155-L158 HydrophobicContact CE-CD1 4.15Å; M155-H313 VanDerWaalsContact SD-CE1 3.55Å; M155-H313 PolarHBondContact SD-NE2 3.22Å
156	P	75.1	Confident	77.4	Confident	9 Å²	9	62.6 Å²	62.6	6%	0.058	32%	0.321	C	S	.	.			trans	-63.2	155.5	168.6	29.3	-34.1	0	0	0	109.2	V136 L158 F178	V136-P156 HydrophobicContact CG1-CG 4.17Å; V136-P156 HydrophobicContact CG2-CG 3.7Å; P156-L158 HydrophobicContact CG-CD1 4.32Å; P156-L158 VanDerWaalsContact O-CD1 3.24Å; P156-L158 WeakPolarHBondContact O-CD1 3.46Å; P156-L158 PolarHBondContact O-N 3.25Å; P156-L158 VanDerWaalsContact O-N 3.08Å; P156-F178 HydrophobicContact CB-CD1 3.72Å; P156-F178 HydrophobicContact CB-CE1 3.95Å; P156-F178 HydrophobicContact CB-CG 4.26Å; P156-F178 WeakPolarHBondContact CB-O 3.24Å; P156-F178 HydrophobicContact CG-CD1 4.11Å; P156-F178 HydrophobicContact CG-CE1 3.8Å; P156-F178 HydrophobicContact CG-CZ 4.39Å
157	P	79.8	Confident	76.9	Confident	29 Å²	29	61.9 Å²	61.9	19%	0.188	31%	0.312	C	S	.	.			trans	-56.8	114.6	164.3	-20.7	33.1	0	0	0	109.2	I159 V166 A170 F178 L179 G180	P157-I159 PolarHBondContact O-N 3.49Å; P157-V166 HydrophobicContact CB-CG1 3.99Å; P157-A170 HydrophobicContact CB-CB 3.83Å; P157-A170 HydrophobicContact CG-CB 4.02Å; P157-F178 WeakPolarHBondContact CD-O 3.43Å; P157-L179 HydrophobicContact CB-CD2 4.1Å; P157-L179 HydrophobicContact CG-CD2 4.13Å; P157-G180 PolarHBondContact O-N 3.5Å
158	L	87.8	Confident	76.7	Confident	17 Å²	17	65.7 Å²	65.7	9%	0.089	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-80.6	110.5	166.2	-82.2	71.4	0	0	0	106.3	F132 M155 P156 E160 F161 V166 G180	F132-L158 HydrophobicContact CE1-CD1 3.81Å; F132-L158 HydrophobicContact CE1-CD2 3.92Å; F132-L158 HydrophobicContact CE1-CG 3.98Å; F132-L158 HydrophobicContact CZ-CD1 3.96Å; F132-L158 HydrophobicContact CZ-CD2 4.15Å; F132-L158 HydrophobicContact CZ-CG 3.86Å; M155-L158 HydrophobicContact CE-CD1 4.15Å; P156-L158 HydrophobicContact CG-CD1 4.32Å; P156-L158 VanDerWaalsContact O-CD1 3.24Å; P156-L158 WeakPolarHBondContact O-CD1 3.46Å; P156-L158 PolarHBondContact O-N 3.25Å; P156-L158 VanDerWaalsContact O-N 3.08Å; L158-E160 PolarHBondContact O-N 2.91Å; L158-E160 VanDerWaalsContact O-N 3.17Å; L158-F161 HydrophobicContact CB-CB 3.75Å; L158-F161 HydrophobicContact CB-CD1 4.05Å; L158-F161 HydrophobicContact CB-CD2 4.04Å; L158-F161 HydrophobicContact CB-CG 3.69Å; L158-F161 HydrophobicContact CD2-CD1 4.13Å; L158-F161 HydrophobicContact CD2-CD2 3.57Å; L158-F161 HydrophobicContact CD2-CE1 3.98Å; L158-F161 HydrophobicContact CD2-CE2 3.4Å; L158-F161 HydrophobicContact CD2-CG 3.93Å; L158-F161 HydrophobicContact CD2-CZ 3.62Å; L158-F161 HydrophobicContact CG-CD2 4.4Å; L158-F161 HydrophobicContact CG-CG 4.46Å; L158-F161 PolarHBondContact O-N 3.03Å; L158-V166 WeakPolarHBondContact O-CG1 3.18Å; L158-G180 CarbonylContact C-O 3.59Å; L158-G180 VanDerWaalsContact CA-O 3.24Å; L158-G180 WeakPolarHBondContact CA-O 3.38Å
159	I	91.1	Very high	76.6	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-31.3	-161.7	65.7	-178.6	0	0	0	112.5	H108 L112 L115 M123 P157 L179 G180 T181 L183 F192	H108-I159 PolarHBondContact NE2-O 3.41Å; L112-I159 HydrophobicContact CD1-CB 4.01Å; L112-I159 HydrophobicContact CD1-CG1 4.13Å; L112-I159 WeakPolarHBondContact CD1-O 3.33Å; L112-I159 HydrophobicContact CD2-CD1 4.49Å; L112-I159 HydrophobicContact CD2-CG1 4.47Å; L115-I159 HydrophobicContact CD2-CB 3.91Å; L115-I159 HydrophobicContact CD2-CG2 3.61Å; M123-I159 HydrophobicContact CE-CD1 4.07Å; P157-I159 PolarHBondContact O-N 3.49Å; I159-L179 HydrophobicContact CG2-CB 4.17Å; I159-L179 HydrophobicContact CG2-CD1 4.39Å; I159-L179 HydrophobicContact CG2-CD2 4.43Å; I159-G180 PolarHBondContact N-O 3.01Å; I159-T181 HydrophobicContact CD1-CG2 4.38Å; I159-L183 HydrophobicContact CD1-CD1 4.44Å; I159-L183 HydrophobicContact CG1-CD1 4.48Å; I159-F192 HydrophobicContact CD1-CE2 4.43Å
160	E	91.2	Very high	77	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-5.9	178.2	76.7	-74.1	-174.2	0	0	114	C104 L109 L158 T181 H182 L183	C104-E160 WeakPolarHBondContact CA-O 3.43Å; C104-E160 WeakPolarHBondContact CB-O 3.44Å; L109-E160 HydrophobicContact CD2-CB 3.66Å; L158-E160 PolarHBondContact O-N 2.91Å; L158-E160 VanDerWaalsContact O-N 3.17Å; E160-T181 PolarHBondContact OE1-OG1 2.9Å; E160-T181 VanDerWaalsContact OE2-CA 3.27Å; E160-T181 WeakPolarHBondContact OE2-CA 3.3Å; E160-T181 VanDerWaalsContact OE2-CB 3.23Å; E160-T181 WeakPolarHBondContact OE2-CB 3.42Å; E160-T181 PolarHBondContact OE2-OG1 2.86Å; E160-H182 WeakPolarHBondContact OE1-CB 3.44Å; E160-H182 IonicContact OE1-CD2 3.4Å; E160-H182 IonicContact OE1-CG 2.79Å; E160-H182 PolarHBondContact OE1-N 3.36Å; E160-L183 HydrophobicContact CB-CD1 3.9Å; E160-L183 HydrophobicContact CB-CD2 3.77Å; E160-L183 HydrophobicContact CB-CG 3.86Å; E160-L183 HydrophobicContact CG-CD1 4.43Å; E160-L183 HydrophobicContact CG-CD2 3.75Å; E160-L183 HydrophobicContact CG-CG 3.85Å
161	F	87.3	Confident	77.9	Confident	17 Å²	17	52.8 Å²	52.8	8%	0.075	28%	0.281	C	S	.	.	S	Bend	trans	-90.9	142.7	-177.9	-79.5	27.7	0	0	0	111.1	M103 L158 V166 H182 W242	M103-F161 HydrophobicContact CE-CD2 4.13Å; M103-F161 HydrophobicContact CE-CE1 4.47Å; M103-F161 HydrophobicContact CE-CE2 3.29Å; M103-F161 HydrophobicContact CE-CZ 3.51Å; M103-F161 CarbonylContact O-C 3.57Å; M103-F161 VanDerWaalsContact O-CA 3.23Å; M103-F161 WeakPolarHBondContact O-CA 3.48Å; L158-F161 HydrophobicContact CB-CB 3.75Å; L158-F161 HydrophobicContact CB-CD1 4.05Å; L158-F161 HydrophobicContact CB-CD2 4.04Å; L158-F161 HydrophobicContact CB-CG 3.69Å; L158-F161 HydrophobicContact CD2-CD1 4.13Å; L158-F161 HydrophobicContact CD2-CD2 3.57Å; L158-F161 HydrophobicContact CD2-CE1 3.98Å; L158-F161 HydrophobicContact CD2-CE2 3.4Å; L158-F161 HydrophobicContact CD2-CG 3.93Å; L158-F161 HydrophobicContact CD2-CZ 3.62Å; L158-F161 HydrophobicContact CG-CD2 4.4Å; L158-F161 HydrophobicContact CG-CG 4.46Å; L158-F161 PolarHBondContact O-N 3.03Å; F161-V166 WeakPolarHBondContact O-CB 3.27Å; F161-V166 WeakPolarHBondContact O-CG2 3.41Å; F161-H182 AromaticContact CE1-CD2 3.77Å; F161-H182 AromaticContact CZ-CD2 3.61Å; F161-W242 HydrophobicContact CE1-CH2 4.45Å; F161-W242 AromaticContact CE1-CZ2 3.47Å; F161-W242 HydrophobicContact CE1-CZ2 3.47Å; F161-W242 VanDerWaalsContact CE1-CZ2 3.47Å; F161-W242 HydrophobicContact CZ-CH2 4.16Å; F161-W242 AromaticContact CZ-CZ2 3.6Å; F161-W242 HydrophobicContact CZ-CZ2 3.6Å
162	F	75.5	Confident	79.1	Confident	70 Å²	70	55.3 Å²	55.3	31%	0.307	29%	0.291	S	S	.	.	S	Bend	trans	62.9	-176	172.2	-46.2	-50.2	0	0	0	111.8	M103 P105 H108 V166	M103-F162 PolarHBondContact O-N 3.3Å; P105-F162 WeakPolarHBondContact CD-O 3.25Å; H108-F162 PolarHBondContact CD2-O 3.16Å; H108-F162 PolarHBondContact CE1-O 2.87Å; H108-F162 VanDerWaalsContact CE1-O 3.24Å; H108-F162 PolarHBondContact ND1-O 3.31Å; H108-F162 VanDerWaalsContact ND1-O 3.12Å; H108-F162 PolarHBondContact NE2-O 3.35Å; F162-V166 HydrophobicContact CB-CG2 3.63Å; F162-V166 HydrophobicContact CD2-CG2 3.81Å; F162-V166 HydrophobicContact CG-CG2 4.21Å
163	G	75.4	Confident	80.3	Confident	8 Å²	8	47.9 Å²	47.9	8%	0.082	26%	0.261	C	S	.	.	S	Bend	trans	-84.4	-167.2	-172.9	0	0	0	0	0	113	H108 E165 V166	H108-G163 VanDerWaalsContact CE1-C 3.49Å; H108-G163 PolarHBondContact CE1-O 3.49Å; H108-G163 PolarHBondContact ND1-O 3.37Å; G163-E165 WeakPolarHBondContact CA-OE2 3.49Å; G163-E165 PolarHBondContact N-OE1 3.09Å; G163-E165 PolarHBondContact O-N 3.2Å; G163-V166 PolarHBondContact O-N 3.16Å
164	P	77	Confident	81.3	Confident	83 Å²	83	49.4 Å²	49.4	54%	0.539	27%	0.269	S	S	.	.	H	α-helix	trans	-52.5	-20.2	-178.9	-27.9	35.2	0	0	0	115.1	V166 L167 K168	P164-V166 VanDerWaalsContact C-N 3.28Å; P164-V166 PolarHBondContact O-N 3.14Å; P164-L167 PolarHBondContact O-N 3.1Å; P164-K168 WeakPolarHBondContact O-CB 3.31Å; P164-K168 PolarHBondContact O-N 2.89Å
165	E	79.2	Confident	82.4	Confident	71 Å²	71	45.4 Å²	45.4	33%	0.332	26%	0.258	S	S	.	.	H	α-helix	trans	-60	-33.7	174.5	68.4	-79.7	-173.6	0	0	114	R78 G163 K168 A169	R78-E165 IonicContact NH2-OE1 2.85Å; R78-E165 PolarHBondContact NH2-OE1 3.15Å; G163-E165 WeakPolarHBondContact CA-OE2 3.49Å; G163-E165 PolarHBondContact N-OE1 3.09Å; G163-E165 PolarHBondContact O-N 3.2Å; E165-K168 PolarHBondContact O-N 3Å; E165-A169 WeakPolarHBondContact O-CB 3.18Å; E165-A169 PolarHBondContact O-N 3.44Å
166	V	79.1	Confident	83.6	Confident	21 Å²	21	44.9 Å²	44.9	13%	0.127	26%	0.258	C	S	.	.	H	α-helix	trans	-74.3	-39.3	178.3	170.6	0	0	0	0	111	P157 L158 F161 F162 G163 P164 K168 A169 A170	P157-V166 HydrophobicContact CB-CG1 3.99Å; L158-V166 WeakPolarHBondContact O-CG1 3.18Å; F161-V166 WeakPolarHBondContact O-CB 3.27Å; F161-V166 WeakPolarHBondContact O-CG2 3.41Å; F162-V166 HydrophobicContact CB-CG2 3.63Å; F162-V166 HydrophobicContact CD2-CG2 3.81Å; F162-V166 HydrophobicContact CG-CG2 4.21Å; G163-V166 PolarHBondContact O-N 3.16Å; P164-V166 VanDerWaalsContact C-N 3.28Å; P164-V166 PolarHBondContact O-N 3.14Å; V166-K168 VanDerWaalsContact C-N 3.32Å; V166-A169 PolarHBondContact O-N 3.37Å; V166-A170 WeakPolarHBondContact O-CB 3.37Å; V166-A170 PolarHBondContact O-N 2.93Å
167	L	80.6	Confident	84.4	Confident	22 Å²	22	44.8 Å²	44.8	12%	0.115	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-44.6	172.1	-71	174.6	0	0	0	110.5	H108 L112 L115 P164 A169 A170 V171	H108-L167 VanDerWaalsContact CE1-CG 3.43Å; H108-L167 WeakPolarHBondContact CE1-CG 3.33Å; L112-L167 HydrophobicContact CD1-CD2 4.17Å; L115-L167 HydrophobicContact CB-CD2 3.9Å; L115-L167 HydrophobicContact CD1-CD2 4.15Å; L115-L167 HydrophobicContact CD2-CD2 3.86Å; L115-L167 HydrophobicContact CG-CD2 4.18Å; P164-L167 PolarHBondContact O-N 3.1Å; L167-A169 PolarHBondContact O-N 2.74Å; L167-A170 CarbonylContact O-C 3.51Å; L167-A170 PolarHBondContact O-N 3.45Å; L167-A170 VanDerWaalsContact O-N 3.16Å; L167-V171 WeakPolarHBondContact O-CB 3.36Å; L167-V171 VanDerWaalsContact O-CG2 3.25Å; L167-V171 WeakPolarHBondContact O-CG2 3.42Å; L167-V171 PolarHBondContact O-N 3.42Å
168	K	83.9	Confident	85	Confident	123 Å²	123	44.3 Å²	44.3	54%	0.535	25%	0.251	S	S	.	.	H	α-helix	trans	-57.5	-48.2	174.9	-175.6	176.9	176.3	179	0	111.5	P164 E165 V166 A170 V171 E172	P164-K168 WeakPolarHBondContact O-CB 3.31Å; P164-K168 PolarHBondContact O-N 2.89Å; E165-K168 PolarHBondContact O-N 3Å; V166-K168 VanDerWaalsContact C-N 3.32Å; K168-A170 VanDerWaalsContact C-N 3.32Å; K168-A170 PolarHBondContact O-N 3.28Å; K168-V171 PolarHBondContact O-N 3.3Å; K168-E172 VanDerWaalsContact CE-CD 3.47Å; K168-E172 WeakPolarHBondContact CE-OE1 3.21Å; K168-E172 HydrophobicContact CG-CG 4.38Å; K168-E172 IonicContact NZ-OE1 2.69Å; K168-E172 WeakPolarHBondContact O-CB 3.13Å; K168-E172 WeakPolarHBondContact O-CG 3.44Å; K168-E172 PolarHBondContact O-N 3.48Å
169	A	83	Confident	85.4	Confident	51 Å²	51	43.5 Å²	43.5	42%	0.421	25%	0.247	S	C	.	.	H	α-helix	trans	-61.7	-38.8	176.6	0	0	0	0	0	112.5	E165 V166 L167 A173	E165-A169 WeakPolarHBondContact O-CB 3.18Å; E165-A169 PolarHBondContact O-N 3.44Å; V166-A169 PolarHBondContact O-N 3.37Å; L167-A169 PolarHBondContact O-N 2.74Å; A169-A173 WeakPolarHBondContact O-CB 3.45Å; A169-A173 PolarHBondContact O-N 3.45Å
170	A	85.3	Confident	85.6	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-68	-33.9	175.6	0	0	0	0	0	112.7	L115 P157 V166 L167 K168 R177 L179	L115-A170 HydrophobicContact CD1-CB 4.32Å; P157-A170 HydrophobicContact CB-CB 3.83Å; P157-A170 HydrophobicContact CG-CB 4.02Å; V166-A170 WeakPolarHBondContact O-CB 3.37Å; V166-A170 PolarHBondContact O-N 2.93Å; L167-A170 CarbonylContact O-C 3.51Å; L167-A170 PolarHBondContact O-N 3.45Å; L167-A170 VanDerWaalsContact O-N 3.16Å; K168-A170 VanDerWaalsContact C-N 3.32Å; K168-A170 PolarHBondContact O-N 3.28Å; A170-R177 WeakPolarHBondContact O-CD 3.33Å; A170-R177 PolarHBondContact O-NH1 3.4Å; A170-L179 HydrophobicContact CB-CD2 4.07Å
171	V	86.7	Confident	85.8	Confident	83 Å²	83	43.5 Å²	43.5	50%	0.503	25%	0.247	S	C	.	.	H	α-helix	trans	-74.3	-38.3	176.4	169.8	0	0	0	0	111.2	L115 R118 L167 K168	L115-V171 HydrophobicContact CD1-CG2 4.08Å; R118-V171 PolarHBondContact NH2-O 2.87Å; L167-V171 WeakPolarHBondContact O-CB 3.36Å; L167-V171 VanDerWaalsContact O-CG2 3.25Å; L167-V171 WeakPolarHBondContact O-CG2 3.42Å; L167-V171 PolarHBondContact O-N 3.42Å; K168-V171 PolarHBondContact O-N 3.3Å
172	E	87.1	Confident	86.3	Confident	130 Å²	130	43.5 Å²	43.5	61%	0.607	25%	0.247	S	C	*	.	H	α-helix	trans	-80.8	-16	-179.8	-69.3	175.6	166.5	0	0	113.2	K168	K168-E172 VanDerWaalsContact CE-CD 3.47Å; K168-E172 WeakPolarHBondContact CE-OE1 3.21Å; K168-E172 HydrophobicContact CG-CG 4.38Å; K168-E172 IonicContact NZ-OE1 2.69Å; K168-E172 WeakPolarHBondContact O-CB 3.13Å; K168-E172 WeakPolarHBondContact O-CG 3.44Å; K168-E172 PolarHBondContact O-N 3.48Å
173	A	85.4	Confident	87.3	Confident	28 Å²	28	40.2 Å²	40.2	23%	0.231	23%	0.233	C	C	.	.	S	Bend	trans	-61.2	139.7	179.4	0	0	0	0	0	112.2	R118 A169 R177	R118-A173 PolarHBondContact NH1-O 3.46Å; R118-A173 PolarHBondContact NH2-O 2.98Å; A169-A173 WeakPolarHBondContact O-CB 3.45Å; A169-A173 PolarHBondContact O-N 3.45Å; A173-R177 HydrophobicContact CB-CG 4.3Å
174	P	86.1	Confident	88.2	Confident	101 Å²	101	41.5 Å²	41.5	66%	0.656	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-66.8	155.6	173.6	29.9	-35	0	0	0	111.1
175	S	88.6	Confident	89.1	Confident	47 Å²	47	37.8 Å²	37.8	33%	0.329	21%	0.212	S	C	.	.	S	Bend	trans	-84.5	148.5	175.2	-97.8	0	0	0	0	111.5	R118 D120	R118-S175 VanDerWaalsContact CD-OG 3.24Å; R118-S175 WeakPolarHBondContact CD-OG 3.35Å; R118-S175 PolarHBondContact NH1-OG 2.86Å; R118-S175 VanDerWaalsContact NH1-OG 3.07Å; D120-S175 WeakPolarHBondContact OD1-CB 3.25Å; D120-S175 PolarHBondContact OD1-OG 3.06Å; D120-S175 WeakPolarHBondContact OD2-CB 3.21Å; D120-S175 PolarHBondContact OD2-OG 2.84Å
176	P	90.1	Very high	89.7	Confident	32 Å²	32	39.4 Å²	39.4	21%	0.208	22%	0.223	C	C	.	.	S	Bend	cis	-68.4	135.9	-8.5	27.4	-37.7	0	0	0	112.6	D120 T147 M149	D120-P176 HydrophobicContact CB-CB 4.28Å; D120-P176 WeakPolarHBondContact O-CB 3.47Å; D120-P176 VanDerWaalsContact OD2-CA 3.26Å; D120-P176 WeakPolarHBondContact OD2-CA 3.47Å; T147-P176 HydrophobicContact CG2-CG 4.49Å; M149-P176 HydrophobicContact CE-CG 4.03Å
177	R	92	Very high	90.3	Very high	7 Å²	7	40.4 Å²	40.4	3%	0.026	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-80.9	134.2	175.2	-54	-175.4	-71.8	-174	1.1	109.9	E116 R118 D121 I122 A170 A173 L179	E116-R177 PolarHBondContact O-NH2 3.32Å; R118-R177 VanDerWaalsContact CZ-CD 3.45Å; D121-R177 VanDerWaalsContact OD1-CB 3.26Å; D121-R177 WeakPolarHBondContact OD1-CB 3.36Å; D121-R177 WeakPolarHBondContact OD1-CG 3.26Å; D121-R177 IonicContact OD1-CZ 3.55Å; D121-R177 IonicContact OD1-NE 2.66Å; D121-R177 PolarHBondContact OD1-NE 3.24Å; D121-R177 IonicContact OD1-NH2 3.16Å; D121-R177 IonicContact OD2-CZ 3.81Å; D121-R177 IonicContact OD2-NE 2.87Å; D121-R177 PolarHBondContact OD2-NE 2.66Å; D121-R177 IonicContact OD2-NH2 3.54Å; D121-R177 PolarHBondContact OD2-NH2 2.79Å; I122-R177 PolarHBondContact N-O 3.12Å; A170-R177 WeakPolarHBondContact O-CD 3.33Å; A170-R177 PolarHBondContact O-NH1 3.4Å; A173-R177 HydrophobicContact CB-CG 4.3Å; R177-L179 HydrophobicContact CB-CD2 4.25Å; R177-L179 HydrophobicContact CB-CG 4.16Å
178	F	93.3	Very high	90.9	Very high	18 Å²	18	40.4 Å²	40.4	8%	0.079	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	109.2	166.4	179.9	-134.1	0	0	0	109.6	I122 L124 V136 M139 K140 I143 P156 P157	I122-F178 HydrophobicContact CB-CD2 4.41Å; I122-F178 HydrophobicContact CG2-CD2 4.22Å; L124-F178 HydrophobicContact CB-CE2 3.7Å; L124-F178 HydrophobicContact CB-CZ 3.94Å; L124-F178 HydrophobicContact CD2-CZ 3.92Å; V136-F178 HydrophobicContact CB-CE1 4.47Å; V136-F178 HydrophobicContact CG1-CE1 4.32Å; V136-F178 HydrophobicContact CG2-CE1 4.35Å; V136-F178 HydrophobicContact CG2-CZ 4.42Å; M139-F178 HydrophobicContact CB-CE1 4.2Å; M139-F178 HydrophobicContact CB-CE2 4.01Å; M139-F178 HydrophobicContact CB-CZ 3.68Å; M139-F178 HydrophobicContact CE-CD2 4.34Å; M139-F178 HydrophobicContact CE-CE2 3.68Å; M139-F178 HydrophobicContact CE-CZ 4.42Å; M139-F178 HydrophobicContact CG-CE2 4.5Å; M139-F178 HydrophobicContact CG-CZ 4.35Å; M139-F178 HydrophobicContact SD-CE2 3.67Å; M139-F178 HydrophobicContact SD-CZ 3.87Å; K140-F178 HydrophobicContact CD-CD1 4.23Å; K140-F178 HydrophobicContact CD-CE1 4.2Å; K140-F178 HydrophobicContact CG-CD1 3.62Å; K140-F178 HydrophobicContact CG-CE1 3.66Å; I143-F178 HydrophobicContact CD1-CB 3.73Å; I143-F178 HydrophobicContact CD1-CD1 4.2Å; I143-F178 HydrophobicContact CD1-CD2 4.09Å; I143-F178 HydrophobicContact CD1-CG 3.74Å; P156-F178 HydrophobicContact CB-CD1 3.72Å; P156-F178 HydrophobicContact CB-CE1 3.95Å; P156-F178 HydrophobicContact CB-CG 4.26Å; P156-F178 WeakPolarHBondContact CB-O 3.24Å; P156-F178 HydrophobicContact CG-CD1 4.11Å; P156-F178 HydrophobicContact CG-CE1 3.8Å; P156-F178 HydrophobicContact CG-CZ 4.39Å; P157-F178 WeakPolarHBondContact CD-O 3.43Å
179	L	94.8	Very high	91.4	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	157.6	-177.4	-58.2	177	0	0	0	110.4	I122 M123 L124 P157 I159 A170 R177 F192	I122-L179 PolarHBondContact O-N 2.78Å; M123-L179 HydrophobicContact CE-CB 3.83Å; M123-L179 HydrophobicContact CE-CD1 4.11Å; M123-L179 HydrophobicContact SD-CB 3.88Å; L124-L179 PolarHBondContact N-O 3.33Å; P157-L179 HydrophobicContact CB-CD2 4.1Å; P157-L179 HydrophobicContact CG-CD2 4.13Å; I159-L179 HydrophobicContact CG2-CB 4.17Å; I159-L179 HydrophobicContact CG2-CD1 4.39Å; I159-L179 HydrophobicContact CG2-CD2 4.43Å; A170-L179 HydrophobicContact CB-CD2 4.07Å; R177-L179 HydrophobicContact CB-CD2 4.25Å; R177-L179 HydrophobicContact CB-CG 4.16Å; L179-F192 HydrophobicContact CD1-CE1 3.61Å; L179-F192 HydrophobicContact CD1-CZ 3.64Å
180	G	95.3	Very high	91.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	152.8	180	0	0	0	0	0	112.9	L124 P157 L158 I159	L124-G180 CarbonylContact O-C 3.49Å; L124-G180 VanDerWaalsContact O-CA 3.27Å; L124-G180 WeakPolarHBondContact O-CA 3.4Å; P157-G180 PolarHBondContact O-N 3.5Å; L158-G180 CarbonylContact C-O 3.59Å; L158-G180 VanDerWaalsContact CA-O 3.24Å; L158-G180 WeakPolarHBondContact CA-O 3.38Å; I159-G180 PolarHBondContact N-O 3.01Å
181	T	96.4	Very high	92.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	155.4	172.9	-168.6	0	0	0	0	113.8	M123 L124 V125 A126 I159 E160 L183 M188	M123-T181 HydrophobicContact CG-CG2 4.44Å; M123-T181 HydrophobicContact SD-CG2 3.9Å; L124-T181 PolarHBondContact O-N 3.37Å; V125-T181 WeakPolarHBondContact CA-O 3.38Å; V125-T181 HydrophobicContact CB-CG2 4.41Å; V125-T181 HydrophobicContact CG1-CG2 4.3Å; V125-T181 HydrophobicContact CG2-CG2 3.74Å; A126-T181 PolarHBondContact N-O 3.48Å; I159-T181 HydrophobicContact CD1-CG2 4.38Å; E160-T181 PolarHBondContact OE1-OG1 2.9Å; E160-T181 VanDerWaalsContact OE2-CA 3.27Å; E160-T181 WeakPolarHBondContact OE2-CA 3.3Å; E160-T181 VanDerWaalsContact OE2-CB 3.23Å; E160-T181 WeakPolarHBondContact OE2-CB 3.42Å; E160-T181 PolarHBondContact OE2-OG1 2.86Å; T181-L183 WeakPolarHBondContact OG1-CB 3.34Å; T181-L183 WeakPolarHBondContact OG1-CG 3.45Å; T181-L183 PolarHBondContact OG1-N 2.96Å; T181-M188 HydrophobicContact CG2-CE 4.02Å; T181-M188 HydrophobicContact CG2-SD 4.08Å
182	H	97.1	Very high	92.9	Very high	16 Å²	16	32 Å²	32	7%	0.074	18%	0.184	C	C	.	.			trans	-107.9	3.4	167.2	-61.7	-56.4	0	0	0	112.7	A126 P128 F132 E160 F161 W242	A126-H182 WeakPolarHBondContact O-CA 3.33Å; A126-H182 PolarHBondContact O-ND1 3.17Å; P128-H182 HydrophobicContact CG-CB 4.35Å; F132-H182 AromaticContact CD2-CE1 3.76Å; F132-H182 AromaticContact CG-CE1 3.56Å; E160-H182 WeakPolarHBondContact OE1-CB 3.44Å; E160-H182 IonicContact OE1-CD2 3.4Å; E160-H182 IonicContact OE1-CG 2.79Å; E160-H182 PolarHBondContact OE1-N 3.36Å; F161-H182 AromaticContact CE1-CD2 3.77Å; F161-H182 AromaticContact CZ-CD2 3.61Å; H182-W242 VanDerWaalsContact CB-CD1 3.43Å; H182-W242 HydrophobicContact CB-CD2 4.26Å; H182-W242 HydrophobicContact CB-CG 3.95Å
183	L	96.3	Very high	93.2	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	18%	0.179	C	C	.	.	S	Bend	trans	-64.3	154.4	-175.4	-66.8	177.5	0	0	0	112.9	Y99 L109 L112 I159 E160 T181 I187 M188 H248	Y99-L183 HydrophobicContact CE1-CD2 3.67Å; L109-L183 HydrophobicContact CD2-CD2 4.18Å; L112-L183 HydrophobicContact CD2-CD1 3.28Å; I159-L183 HydrophobicContact CD1-CD1 4.44Å; I159-L183 HydrophobicContact CG1-CD1 4.48Å; E160-L183 HydrophobicContact CB-CD1 3.9Å; E160-L183 HydrophobicContact CB-CD2 3.77Å; E160-L183 HydrophobicContact CB-CG 3.86Å; E160-L183 HydrophobicContact CG-CD1 4.43Å; E160-L183 HydrophobicContact CG-CD2 3.75Å; E160-L183 HydrophobicContact CG-CG 3.85Å; T181-L183 WeakPolarHBondContact OG1-CB 3.34Å; T181-L183 WeakPolarHBondContact OG1-CG 3.45Å; T181-L183 PolarHBondContact OG1-N 2.96Å; L183-I187 HydrophobicContact CB-CD1 4.12Å; L183-I187 HydrophobicContact CB-CG1 4.05Å; L183-I187 HydrophobicContact CD2-CD1 3.6Å; L183-I187 HydrophobicContact CD2-CG1 4.31Å; L183-I187 HydrophobicContact CG-CD1 4.3Å; L183-M188 HydrophobicContact CB-CG 4.06Å; L183-H248 PolarHBondContact O-NE2 3.31Å
184	H	95.7	Very high	93.6	Very high	36 Å²	36	34.5 Å²	34.5	17%	0.167	20%	0.199	C	C	.	.			trans	-65	141	163.9	-168.2	-89.6	0	0	0	108.8	D186 I187 A251	H184-D186 IonicContact CE1-OD2 3.85Å; H184-D186 PolarHBondContact CE1-OD2 2.81Å; H184-D186 PolarHBondContact ND1-N 3.43Å; H184-D186 IonicContact ND1-OD2 3.71Å; H184-D186 PolarHBondContact O-N 2.89Å; H184-D186 VanDerWaalsContact O-N 3.09Å; H184-I187 HydrophobicContact CB-CD1 4.31Å; H184-I187 HydrophobicContact CB-CG1 4.14Å; H184-I187 WeakPolarHBondContact O-CG1 3.26Å; H184-I187 PolarHBondContact O-N 2.82Å; H184-I187 VanDerWaalsContact O-N 3.16Å; H184-A251 WeakPolarHBondContact CE1-CB 3.32Å; H184-A251 WeakPolarHBondContact NE2-CB 3.47Å
185	P	94.9	Very high	94.1	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.032	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-64.7	-19.7	-173.5	26.5	-36.4	0	0	0	113.9	I187 A251 W252 R255	P185-I187 VanDerWaalsContact C-N 3.31Å; P185-I187 PolarHBondContact O-N 3.42Å; P185-A251 HydrophobicContact CG-CB 3.62Å; P185-W252 HydrophobicContact CB-CD2 4.34Å; P185-W252 HydrophobicContact CB-CH2 4.06Å; P185-W252 HydrophobicContact CB-CZ2 3.68Å; P185-W252 HydrophobicContact CG-CD2 4.28Å; P185-W252 HydrophobicContact CG-CG 4.47Å; P185-W252 HydrophobicContact CG-CZ2 4.35Å; P185-R255 PolarHBondContact O-NH2 3.08Å
186	D	92.1	Very high	94.5	Very high	104 Å²	104	38.8 Å²	38.8	56%	0.556	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-80	-9.4	-180	-61.2	-15	0	0	0	114.4	H184 R255	H184-D186 IonicContact CE1-OD2 3.85Å; H184-D186 PolarHBondContact CE1-OD2 2.81Å; H184-D186 PolarHBondContact ND1-N 3.43Å; H184-D186 IonicContact ND1-OD2 3.71Å; H184-D186 PolarHBondContact O-N 2.89Å; H184-D186 VanDerWaalsContact O-N 3.09Å; D186-R255 IonicContact OD1-CZ 3.94Å; D186-R255 IonicContact OD1-NH2 3.31Å; D186-R255 PolarHBondContact OD1-NH2 2.68Å
187	I	91.3	Very high	94.9	Very high	43 Å²	43	37.4 Å²	37.4	22%	0.221	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-116.7	4.9	176.1	62.4	171.5	0	0	0	112	Y99 L183 H184 P185	Y99-I187 WeakPolarHBondContact OH-CD1 3.1Å; L183-I187 HydrophobicContact CB-CD1 4.12Å; L183-I187 HydrophobicContact CB-CG1 4.05Å; L183-I187 HydrophobicContact CD2-CD1 3.6Å; L183-I187 HydrophobicContact CD2-CG1 4.31Å; L183-I187 HydrophobicContact CG-CD1 4.3Å; H184-I187 HydrophobicContact CB-CD1 4.31Å; H184-I187 HydrophobicContact CB-CG1 4.14Å; H184-I187 WeakPolarHBondContact O-CG1 3.26Å; H184-I187 PolarHBondContact O-N 2.82Å; H184-I187 VanDerWaalsContact O-N 3.16Å; P185-I187 VanDerWaalsContact C-N 3.31Å; P185-I187 PolarHBondContact O-N 3.42Å
188	M	93.8	Very high	95.2	Very high	22 Å²	22	40 Å²	40	11%	0.108	20%	0.203	C	C	.	.	S	Bend	trans	-71.7	146.3	169.4	-70.4	178.2	60.7	0	0	109.1	M123 V125 T181 L183 S190 W252	M123-M188 HydrophobicContact CE-CE 4.24Å; M123-M188 HydrophobicContact CG-CE 3.98Å; M123-M188 HydrophobicContact SD-CE 4.41Å; V125-M188 HydrophobicContact CG2-CE 4.39Å; V125-M188 HydrophobicContact CG2-SD 4.4Å; T181-M188 HydrophobicContact CG2-CE 4.02Å; T181-M188 HydrophobicContact CG2-SD 4.08Å; L183-M188 HydrophobicContact CB-CG 4.06Å; M188-S190 PolarHBondContact O-N 2.89Å; M188-W252 HydrophobicContact SD-CH2 4.21Å; M188-W252 HydrophobicContact SD-CZ2 3.88Å
189	P	93.8	Very high	95.4	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	20%	0.203	C	C	.	.			trans	-54.1	131.8	177.9	-27.8	36.1	0	0	0	111.8	L112 S191 F192	L112-P189 HydrophobicContact CD2-CG 4.29Å; L112-P189 HydrophobicContact CG-CG 3.8Å; L112-P189 VanDerWaalsContact O-CG 3.28Å; L112-P189 WeakPolarHBondContact O-CG 3.3Å; P189-S191 PolarHBondContact O-N 2.86Å; P189-S191 VanDerWaalsContact O-N 3.16Å; P189-F192 HydrophobicContact CB-CD2 3.85Å; P189-F192 HydrophobicContact CB-CE2 4.01Å; P189-F192 HydrophobicContact CG-CD2 4.13Å; P189-F192 HydrophobicContact CG-CE2 3.95Å; P189-F192 PolarHBondContact O-N 2.89Å
190	S	94.1	Very high	95.6	Very high	71 Å²	71	39.6 Å²	39.6	50%	0.497	20%	0.203	S	C	.	.	H	α-helix	trans	-60.7	-28.9	-175.1	68.2	0	0	0	0	112.6	M188 F192 S193 E194	M188-S190 PolarHBondContact O-N 2.89Å; S190-F192 PolarHBondContact O-N 3Å; S190-F192 VanDerWaalsContact O-N 3.15Å; S190-S193 WeakPolarHBondContact O-CA 3.2Å; S190-S193 WeakPolarHBondContact O-CB 3.39Å; S190-S193 PolarHBondContact O-N 2.69Å; S190-E194 WeakPolarHBondContact CB-OE1 3.34Å; S190-E194 WeakPolarHBondContact O-CG 3.4Å; S190-E194 PolarHBondContact O-N 2.8Å; S190-E194 PolarHBondContact OG-OE1 2.8Å
191	S	95.8	Very high	95.8	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.028	20%	0.203	C	C	.	.	H	α-helix	trans	-51.1	-37.5	177.3	68.9	0	0	0	0	112.7	L115 E116 A117 P189 S193 E194 K195	L115-S191 PolarHBondContact O-OG 3.07Å; L115-S191 VanDerWaalsContact O-OG 3.14Å; E116-S191 WeakPolarHBondContact OE2-CB 3.44Å; A117-S191 PolarHBondContact N-OG 2.81Å; A117-S191 VanDerWaalsContact N-OG 3.1Å; P189-S191 PolarHBondContact O-N 2.86Å; P189-S191 VanDerWaalsContact O-N 3.16Å; S191-S193 PolarHBondContact O-N 2.79Å; S191-E194 PolarHBondContact O-N 2.82Å; S191-K195 VanDerWaalsContact O-CB 3.24Å; S191-K195 WeakPolarHBondContact O-CB 3.27Å; S191-K195 VanDerWaalsContact O-CG 3.3Å; S191-K195 WeakPolarHBondContact O-CG 3.44Å; S191-K195 PolarHBondContact O-N 2.97Å
192	F	96.1	Very high	95.9	Very high	6 Å²	6	39.6 Å²	39.6	3%	0.026	20%	0.203	C	C	.	.	H	α-helix	trans	-65	-37.8	177	-70.3	-72	0	0	0	112.9	L115 A117 M123 I159 L179 P189 S190 K196 T197	L115-F192 HydrophobicContact CD2-CE2 4.23Å; L115-F192 HydrophobicContact CD2-CZ 4Å; L115-F192 HydrophobicContact CG-CE2 4.44Å; L115-F192 HydrophobicContact CG-CZ 4.23Å; A117-F192 HydrophobicContact CB-CB 4.33Å; A117-F192 HydrophobicContact CB-CD1 3.44Å; A117-F192 VanDerWaalsContact CB-CD1 3.44Å; A117-F192 HydrophobicContact CB-CE1 3.74Å; A117-F192 HydrophobicContact CB-CG 3.89Å; A117-F192 HydrophobicContact CB-CZ 4.42Å; M123-F192 HydrophobicContact CE-CD1 3.79Å; M123-F192 HydrophobicContact CE-CD2 4.23Å; M123-F192 HydrophobicContact CE-CE1 3.52Å; M123-F192 HydrophobicContact CE-CE2 3.98Å; M123-F192 HydrophobicContact CE-CG 4.16Å; M123-F192 HydrophobicContact CE-CZ 3.61Å; I159-F192 HydrophobicContact CD1-CE2 4.43Å; L179-F192 HydrophobicContact CD1-CE1 3.61Å; L179-F192 HydrophobicContact CD1-CZ 3.64Å; P189-F192 HydrophobicContact CB-CD2 3.85Å; P189-F192 HydrophobicContact CB-CE2 4.01Å; P189-F192 HydrophobicContact CG-CD2 4.13Å; P189-F192 HydrophobicContact CG-CE2 3.95Å; P189-F192 PolarHBondContact O-N 2.89Å; S190-F192 PolarHBondContact O-N 3Å; S190-F192 VanDerWaalsContact O-N 3.15Å; F192-K196 PolarHBondContact O-N 2.83Å; F192-T197 HydrophobicContact CD1-CG2 3.9Å; F192-T197 WeakPolarHBondContact CD1-OG1 3.5Å; F192-T197 WeakPolarHBondContact O-CB 3.22Å; F192-T197 PolarHBondContact O-N 3.12Å; F192-T197 PolarHBondContact O-OG1 2.83Å
193	S	94.1	Very high	95.9	Very high	72 Å²	72	38.9 Å²	38.9	50%	0.503	20%	0.199	S	C	.	.	H	α-helix	trans	-73.2	-42.7	175.7	-61	0	0	0	0	110.9	S190 S191 K195 K196	S190-S193 WeakPolarHBondContact O-CA 3.2Å; S190-S193 WeakPolarHBondContact O-CB 3.39Å; S190-S193 PolarHBondContact O-N 2.69Å; S191-S193 PolarHBondContact O-N 2.79Å; S193-K195 VanDerWaalsContact C-N 3.34Å; S193-K195 PolarHBondContact O-N 3.35Å; S193-K196 PolarHBondContact O-N 2.72Å; S193-K196 VanDerWaalsContact O-N 3.13Å
194	E	95.1	Very high	96	Very high	138 Å²	138	39.4 Å²	39.4	65%	0.645	20%	0.201	S	C	*	.	H	α-helix	trans	-62.4	-40.2	178.9	-68.1	167.6	-150.3	0	0	112.3	S190 S191 K196	S190-E194 WeakPolarHBondContact CB-OE1 3.34Å; S190-E194 WeakPolarHBondContact O-CG 3.4Å; S190-E194 PolarHBondContact O-N 2.8Å; S190-E194 PolarHBondContact OG-OE1 2.8Å; S191-E194 PolarHBondContact O-N 2.82Å; E194-K196 VanDerWaalsContact C-N 3.27Å; E194-K196 PolarHBondContact O-N 3.35Å
195	K	96.3	Very high	96.2	Very high	93 Å²	93	37.7 Å²	37.7	40%	0.404	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-0.5	176.7	-68.5	-58.4	-153	154.2	0	114.2	A117 D119 S191 S193 T197	A117-K195 HydrophobicContact CB-CB 3.97Å; A117-K195 HydrophobicContact CB-CG 3.96Å; D119-K195 WeakPolarHBondContact OD1-CD 3.11Å; D119-K195 WeakPolarHBondContact OD1-CE 3.24Å; D119-K195 IonicContact OD1-NZ 2.74Å; D119-K195 PolarHBondContact OD1-NZ 2.89Å; D119-K195 IonicContact OD2-NZ 3.81Å; S191-K195 VanDerWaalsContact O-CB 3.24Å; S191-K195 WeakPolarHBondContact O-CB 3.27Å; S191-K195 VanDerWaalsContact O-CG 3.3Å; S191-K195 WeakPolarHBondContact O-CG 3.44Å; S191-K195 PolarHBondContact O-N 2.97Å; S193-K195 VanDerWaalsContact C-N 3.34Å; S193-K195 PolarHBondContact O-N 3.35Å; K195-T197 PolarHBondContact O-N 3.09Å
196	K	96.6	Very high	96.3	Very high	144 Å²	144	37.4 Å²	37.4	63%	0.626	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	38.6	179.1	-57.5	178.6	-178.5	177.6	0	112.5	F192 S193 E194 K198 N260	F192-K196 PolarHBondContact O-N 2.83Å; S193-K196 PolarHBondContact O-N 2.72Å; S193-K196 VanDerWaalsContact O-N 3.13Å; E194-K196 VanDerWaalsContact C-N 3.27Å; E194-K196 PolarHBondContact O-N 3.35Å; K196-K198 PolarHBondContact O-N 2.88Å; K196-N260 PolarHBondContact O-OD1 3.43Å
197	T	97.8	Very high	96.6	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.018	17%	0.165	C	C	.	.			trans	-54.2	131.8	-179.1	-63	0	0	0	0	111.1	D121 M123 F192 K195 T199	D121-T197 HydrophobicContact CB-CG2 3.85Å; D121-T197 WeakPolarHBondContact O-CG2 3.48Å; M123-T197 HydrophobicContact CB-CG2 3.99Å; F192-T197 HydrophobicContact CD1-CG2 3.9Å; F192-T197 WeakPolarHBondContact CD1-OG1 3.5Å; F192-T197 WeakPolarHBondContact O-CB 3.22Å; F192-T197 PolarHBondContact O-N 3.12Å; F192-T197 PolarHBondContact O-OG1 2.83Å; K195-T197 PolarHBondContact O-N 3.09Å; T197-T199 PolarHBondContact O-N 3.06Å; T197-T199 VanDerWaalsContact O-N 3.12Å; T197-T199 PolarHBondContact O-OG1 3.43Å; T197-T199 VanDerWaalsContact O-OG1 3.05Å
198	K	98.3	Very high	97	Very high	62 Å²	62	30.5 Å²	30.5	27%	0.27	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	113.6	176.6	-68.6	-54.8	-169.7	-167.7	0	110	M123 K196 P259 N260 F283 I284	M123-K198 PolarHBondContact N-O 2.84Å; K196-K198 PolarHBondContact O-N 2.88Å; K198-P259 PolarHBondContact NZ-O 3.18Å; K198-P259 VanDerWaalsContact NZ-O 3.08Å; K198-N260 HydrophobicContact CD-CB 4.38Å; K198-N260 PolarHBondContact NZ-OD1 3.35Å; K198-F283 HydrophobicContact CB-CE1 4.07Å; K198-F283 HydrophobicContact CB-CZ 4.36Å; K198-F283 HydrophobicContact CD-CE1 4.33Å; K198-F283 HydrophobicContact CD-CE2 4.19Å; K198-F283 HydrophobicContact CD-CZ 3.99Å; K198-F283 WeakPolarHBondContact CE-O 3.36Å; K198-I284 HydrophobicContact CB-CG2 4.38Å
199	T	98.6	Very high	97.2	Very high	11 Å²	11	29.4 Å²	29.4	7%	0.067	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	113.7	-172.8	-56.4	0	0	0	0	110.7	M123 V125 T197 V201 W252 N260 V261 L262	M123-T199 HydrophobicContact CB-CG2 4.16Å; M123-T199 HydrophobicContact CG-CG2 4.15Å; M123-T199 CarbonylContact O-C 3.54Å; M123-T199 WeakPolarHBondContact O-CA 3.34Å; V125-T199 HydrophobicContact CG2-CG2 3.58Å; T197-T199 PolarHBondContact O-N 3.06Å; T197-T199 VanDerWaalsContact O-N 3.12Å; T197-T199 PolarHBondContact O-OG1 3.43Å; T197-T199 VanDerWaalsContact O-OG1 3.05Å; T199-V201 HydrophobicContact CG2-CG2 3.95Å; T199-W252 HydrophobicContact CG2-CH2 3.74Å; T199-W252 HydrophobicContact CG2-CZ3 4.12Å; T199-N260 PolarHBondContact N-O 3.49Å; T199-V261 WeakPolarHBondContact O-CA 3.25Å; T199-L262 PolarHBondContact O-N 2.88Å
200	V	98.7	Very high	97.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	119.5	172.5	-178.4	0	0	0	0	108.3	M123 L124 V125 M139 L262 V264 I280 F283 I284	M123-V200 PolarHBondContact O-N 3.31Å; L124-V200 CarbonylContact C-O 3.54Å; L124-V200 WeakPolarHBondContact CA-O 3.25Å; L124-V200 HydrophobicContact CD1-CB 4.43Å; L124-V200 HydrophobicContact CD1-CG1 4.39Å; V125-V200 PolarHBondContact N-O 3.28Å; M139-V200 HydrophobicContact CE-CB 4.23Å; M139-V200 HydrophobicContact CE-CG2 3.83Å; M139-V200 HydrophobicContact SD-CB 4.31Å; M139-V200 HydrophobicContact SD-CG2 4.46Å; V200-L262 CarbonylContact C-O 3.24Å; V200-L262 WeakPolarHBondContact CA-O 3.38Å; V200-V264 HydrophobicContact CG1-CG2 4.06Å; V200-I280 HydrophobicContact CG2-CG2 4.48Å; V200-F283 HydrophobicContact CG2-CD1 3.94Å; V200-F283 HydrophobicContact CG2-CE1 3.83Å; V200-I284 HydrophobicContact CG2-CG2 4.18Å
201	V	98.7	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	124.7	-178.2	-169	0	0	0	0	109.3	V125 T199 F203 W252 V261 L262 V263 V264	V125-V201 HydrophobicContact CB-CB 4.45Å; V125-V201 HydrophobicContact CB-CG1 4.18Å; V125-V201 HydrophobicContact CB-CG2 4.2Å; V125-V201 HydrophobicContact CG1-CG1 4.3Å; V125-V201 CarbonylContact O-C 3.55Å; V125-V201 WeakPolarHBondContact O-CA 3.12Å; T199-V201 HydrophobicContact CG2-CG2 3.95Å; V201-F203 HydrophobicContact CG1-CD2 3.96Å; V201-F203 HydrophobicContact CG1-CE2 3.52Å; V201-F203 HydrophobicContact CG1-CZ 4.4Å; V201-W252 HydrophobicContact CB-CD2 4.46Å; V201-W252 HydrophobicContact CB-CE3 4.49Å; V201-W252 HydrophobicContact CG1-CB 4.44Å; V201-W252 HydrophobicContact CG1-CD2 3.88Å; V201-W252 HydrophobicContact CG1-CE3 4.39Å; V201-W252 HydrophobicContact CG1-CG 3.88Å; V201-W252 HydrophobicContact CG2-CD2 3.78Å; V201-W252 HydrophobicContact CG2-CE3 3.47Å; V201-W252 VanDerWaalsContact CG2-CE3 3.47Å; V201-W252 HydrophobicContact CG2-CH2 3.93Å; V201-W252 HydrophobicContact CG2-CZ2 4.21Å; V201-W252 HydrophobicContact CG2-CZ3 3.54Å; V201-V261 HydrophobicContact CG2-CG1 3.97Å; V201-L262 PolarHBondContact N-O 3.41Å; V201-V263 HydrophobicContact CB-CG2 4.22Å; V201-V263 CarbonylContact O-C 3.59Å; V201-V263 WeakPolarHBondContact O-CA 3.43Å; V201-V264 PolarHBondContact O-N 3.35Å
202	V	98.3	Very high	97.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120.6	-177.3	-166.4	0	0	0	0	109.4	L124 V125 A126 C130 M135 V264	L124-V202 HydrophobicContact CD1-CG2 3.57Å; V125-V202 PolarHBondContact O-N 3.19Å; A126-V202 HydrophobicContact CB-CB 4.1Å; C130-V202 WeakPolarHBondContact CB-O 3.31Å; C130-V202 WeakPolarHBondContact O-CG1 3.36Å; M135-V202 HydrophobicContact CB-CG2 4.1Å; M135-V202 HydrophobicContact CG-CG1 4.2Å; M135-V202 HydrophobicContact CG-CG2 3.69Å; V202-V264 WeakPolarHBondContact CA-O 2.78Å; V202-V264 HydrophobicContact CB-CG2 4.37Å; V202-V264 HydrophobicContact CG1-CG2 4.33Å; V202-V264 HydrophobicContact CG2-CG2 3.93Å
203	F	98.4	Very high	97.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	159.7	169.5	-82.3	-82.1	0	0	0	111.3	V201 Y245 H248 A249 W252 V263 V264 T265 F266 L354 L358	V201-F203 HydrophobicContact CG1-CD2 3.96Å; V201-F203 HydrophobicContact CG1-CE2 3.52Å; V201-F203 HydrophobicContact CG1-CZ 4.4Å; F203-Y245 HydrophobicContact CD1-CE2 4.18Å; F203-H248 AromaticContact CE1-ND1 3.86Å; F203-H248 AromaticContact CZ-ND1 3.58Å; F203-A249 HydrophobicContact CD1-CB 4.47Å; F203-A249 HydrophobicContact CE1-CB 3.75Å; F203-A249 HydrophobicContact CZ-CB 4.19Å; F203-W252 HydrophobicContact CE2-CB 3.72Å; F203-W252 HydrophobicContact CE2-CG 4.12Å; F203-W252 HydrophobicContact CZ-CB 3.92Å; F203-W252 AromaticContact CZ-CD1 3.96Å; F203-W252 HydrophobicContact CZ-CG 4.22Å; F203-V263 HydrophobicContact CD2-CG1 4.03Å; F203-V264 PolarHBondContact N-O 3.21Å; F203-T265 CarbonylContact O-C 3.6Å; F203-T265 VanDerWaalsContact O-CA 3.22Å; F203-T265 WeakPolarHBondContact O-CA 3.24Å; F203-F266 PolarHBondContact O-N 3.02Å; F203-L354 HydrophobicContact CB-CD1 4.18Å; F203-L354 HydrophobicContact CD1-CD2 4.22Å; F203-L354 HydrophobicContact CD2-CD1 3.74Å; F203-L354 HydrophobicContact CD2-CD2 3.93Å; F203-L354 HydrophobicContact CE1-CD2 4.1Å; F203-L354 HydrophobicContact CE2-CD1 4.34Å; F203-L354 HydrophobicContact CE2-CD2 3.77Å; F203-L354 HydrophobicContact CG-CD1 3.96Å; F203-L354 HydrophobicContact CG-CD2 4.15Å; F203-L354 HydrophobicContact CZ-CD2 3.89Å; F203-L358 HydrophobicContact CB-CD2 4.01Å
204	R	98.4	Very high	97.9	Very high	12 Å²	12	24.6 Å²	24.6	5%	0.045	11%	0.111	C	C	.	.			trans	-139.2	154.6	171.5	-178.2	178.4	-173.1	-165.4	1	107.5	C130 T209 Y245 F266 E267 E325	C130-R204 HydrophobicContact CB-CB 3.91Å; R204-T209 WeakPolarHBondContact CB-OG1 3.31Å; R204-T209 PolarHBondContact O-OG1 3.46Å; R204-Y245 PolarHBondContact O-OH 3.5Å; R204-F266 HydrophobicContact CB-CB 3.81Å; R204-F266 HydrophobicContact CG-CB 3.82Å; R204-F266 HydrophobicContact CG-CD1 4.19Å; R204-F266 HydrophobicContact CG-CG 4.14Å; R204-E267 VanDerWaalsContact CG-OE1 3.25Å; R204-E267 WeakPolarHBondContact CG-OE1 3.39Å; R204-E325 PolarHBondContact NH2-O 3.27Å
205	N	98.2	Very high	97.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.09	C	C	.	.			trans	-51.9	140.7	175.8	81.3	78.4	0	0	0	111.1	K207 D208 T209 E267 H363 C364	N205-K207 VanDerWaalsContact C-N 3.32Å; N205-K207 PolarHBondContact O-N 3.08Å; N205-K207 PolarHBondContact OD1-N 3.47Å; N205-D208 WeakPolarHBondContact ND2-CB 3.49Å; N205-D208 PolarHBondContact ND2-OD2 2.62Å; N205-D208 WeakPolarHBondContact OD1-CB 3.19Å; N205-D208 PolarHBondContact OD1-N 3.11Å; N205-T209 WeakPolarHBondContact O-CB 3.21Å; N205-T209 PolarHBondContact O-N 3.39Å; N205-T209 PolarHBondContact O-OG1 3.26Å; N205-E267 WeakPolarHBondContact CB-OE1 3.49Å; N205-E267 PolarHBondContact N-OE1 2.9Å; N205-E267 PolarHBondContact ND2-OE1 2.72Å; N205-H363 HydrophobicContact CB-CB 4.4Å; N205-C364 VanDerWaalsContact CB-SG 3.58Å; N205-C364 PolarHBondContact OD1-SG 2.77Å; N205-C364 VanDerWaalsContact OD1-SG 3.35Å
206	P	98.3	Very high	97.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-69.3	-28.6	-169.4	26.5	-35.3	0	0	0	113.1	T209 L210 Y245 M341 F345 Y360	P206-T209 PolarHBondContact O-N 2.77Å; P206-L210 WeakPolarHBondContact O-CB 3.41Å; P206-L210 PolarHBondContact O-N 2.73Å; P206-Y245 HydrophobicContact CB-CD1 3.97Å; P206-Y245 HydrophobicContact CB-CE1 3.62Å; P206-Y245 HydrophobicContact CB-CE2 4.47Å; P206-Y245 HydrophobicContact CG-CE1 4.26Å; P206-M341 HydrophobicContact CB-CE 4.4Å; P206-M341 HydrophobicContact CB-SD 3.84Å; P206-M341 HydrophobicContact CG-CG 4.47Å; P206-M341 HydrophobicContact CG-SD 4.06Å; P206-F345 HydrophobicContact CG-CD2 4.26Å; P206-Y360 HydrophobicContact CG-CD2 4.21Å; P206-Y360 HydrophobicContact CG-CE2 3.6Å
207	K	98.5	Very high	97.6	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-65.7	-51.5	180	-68.6	-170.1	-176.8	177.6	0	111.2	N205 T209 L210 V211 W329 F333 S338 M341 D342 Y360 C364	N205-K207 VanDerWaalsContact C-N 3.32Å; N205-K207 PolarHBondContact O-N 3.08Å; N205-K207 PolarHBondContact OD1-N 3.47Å; K207-T209 VanDerWaalsContact C-N 3.34Å; K207-T209 PolarHBondContact O-N 3.45Å; K207-L210 PolarHBondContact O-N 3.34Å; K207-V211 WeakPolarHBondContact O-CG2 3.48Å; K207-V211 PolarHBondContact O-N 3.22Å; K207-W329 HydrophobicContact CB-CB 3.56Å; K207-W329 HydrophobicContact CB-CD2 3.89Å; K207-W329 HydrophobicContact CB-CE3 4.47Å; K207-W329 HydrophobicContact CB-CG 3.47Å; K207-W329 VanDerWaalsContact CB-CG 3.47Å; K207-W329 HydrophobicContact CD-CD2 3.54Å; K207-W329 HydrophobicContact CD-CE3 3.54Å; K207-W329 HydrophobicContact CD-CG 4.1Å; K207-W329 HydrophobicContact CD-CH2 4.08Å; K207-W329 HydrophobicContact CD-CZ2 4.07Å; K207-W329 HydrophobicContact CD-CZ3 3.82Å; K207-W329 HydrophobicContact CG-CD2 4.32Å; K207-W329 HydrophobicContact CG-CG 4.39Å; K207-F333 HydrophobicContact CB-CE1 4.38Å; K207-F333 HydrophobicContact CB-CE2 4.15Å; K207-F333 HydrophobicContact CB-CZ 3.91Å; K207-F333 HydrophobicContact CD-CE1 4.37Å; K207-F333 HydrophobicContact CG-CE1 3.95Å; K207-F333 HydrophobicContact CG-CZ 3.97Å; K207-F333 WeakPolarHBondContact O-CE2 3.29Å; K207-S338 PolarHBondContact NZ-OG 3.35Å; K207-M341 HydrophobicContact CG-CB 4.43Å; K207-M341 HydrophobicContact CG-CG 3.71Å; K207-D342 WeakPolarHBondContact CE-OD1 3.05Å; K207-D342 IonicContact NZ-OD1 3.57Å; K207-D342 PolarHBondContact NZ-OD1 3.39Å; K207-D342 IonicContact NZ-OD2 3.99Å; K207-Y360 VanDerWaalsContact CE-OH 3.27Å; K207-Y360 WeakPolarHBondContact CE-OH 3.5Å; K207-C364 HydrophobicContact CD-CB 3.89Å; K207-C364 HydrophobicContact CG-CB 4.37Å; K207-C364 PolarHBondContact NZ-O 3.04Å
208	D	98.4	Very high	97.3	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-69.1	-32.5	175.4	-77.8	-36.6	0	0	0	112.9	N205 V211 S212 V326 G327 D328 W329	N205-D208 WeakPolarHBondContact ND2-CB 3.49Å; N205-D208 PolarHBondContact ND2-OD2 2.62Å; N205-D208 WeakPolarHBondContact OD1-CB 3.19Å; N205-D208 PolarHBondContact OD1-N 3.11Å; D208-V211 PolarHBondContact O-N 3.11Å; D208-S212 WeakPolarHBondContact O-CB 3.23Å; D208-S212 PolarHBondContact O-N 3.29Å; D208-V326 WeakPolarHBondContact OD2-CA 3.13Å; D208-G327 PolarHBondContact OD1-N 3.38Å; D208-G327 PolarHBondContact OD2-N 3.17Å; D208-D328 PolarHBondContact OD1-N 3.44Å; D208-W329 PolarHBondContact OD1-N 3.37Å
209	T	98.4	Very high	96.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-59.1	-49.9	174.3	-61.5	0	0	0	0	110.4	Y127 R204 N205 P206 K207 V211 S212 Y213 Y245	Y127-T209 HydrophobicContact CD1-CG2 3.94Å; Y127-T209 HydrophobicContact CE1-CG2 4.21Å; R204-T209 WeakPolarHBondContact CB-OG1 3.31Å; R204-T209 PolarHBondContact O-OG1 3.46Å; N205-T209 WeakPolarHBondContact O-CB 3.21Å; N205-T209 PolarHBondContact O-N 3.39Å; N205-T209 PolarHBondContact O-OG1 3.26Å; P206-T209 PolarHBondContact O-N 2.77Å; K207-T209 VanDerWaalsContact C-N 3.34Å; K207-T209 PolarHBondContact O-N 3.45Å; T209-V211 PolarHBondContact O-N 3.16Å; T209-S212 PolarHBondContact O-N 2.94Å; T209-Y213 WeakPolarHBondContact O-CB 3.46Å; T209-Y213 PolarHBondContact O-N 3.46Å; T209-Y245 HydrophobicContact CG2-CD2 4.1Å; T209-Y245 HydrophobicContact CG2-CE2 4.25Å
210	L	98.5	Very high	96.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-57.8	-50	178.1	-170	167.5	0	0	0	111.2	P206 K207 S212 Y213 Y214 W228 F231 F232 F235 F333 M341	P206-L210 WeakPolarHBondContact O-CB 3.41Å; P206-L210 PolarHBondContact O-N 2.73Å; K207-L210 PolarHBondContact O-N 3.34Å; L210-S212 VanDerWaalsContact C-N 3.32Å; L210-S212 PolarHBondContact O-N 3.34Å; L210-Y213 WeakPolarHBondContact O-CA 3.28Å; L210-Y213 PolarHBondContact O-N 3.35Å; L210-Y214 PolarHBondContact O-N 3.19Å; L210-W228 HydrophobicContact CD2-CH2 3.44Å; L210-W228 VanDerWaalsContact CD2-CH2 3.44Å; L210-W228 HydrophobicContact CD2-CZ2 4.26Å; L210-W228 HydrophobicContact CD2-CZ3 3.61Å; L210-F231 HydrophobicContact CD2-CD1 4.12Å; L210-F231 HydrophobicContact CD2-CE1 4.34Å; L210-F232 HydrophobicContact CD1-CD2 3.54Å; L210-F232 HydrophobicContact CD1-CE2 3.98Å; L210-F232 HydrophobicContact CD1-CG 4.39Å; L210-F232 HydrophobicContact CD2-CD2 4.43Å; L210-F235 HydrophobicContact CB-CD1 4.18Å; L210-F235 HydrophobicContact CB-CD2 4.28Å; L210-F235 HydrophobicContact CB-CE1 4.11Å; L210-F235 HydrophobicContact CB-CE2 4.2Å; L210-F235 HydrophobicContact CB-CG 4.26Å; L210-F235 HydrophobicContact CB-CZ 4.11Å; L210-F235 HydrophobicContact CD1-CB 3.94Å; L210-F235 HydrophobicContact CD1-CD1 3.46Å; L210-F235 VanDerWaalsContact CD1-CD1 3.46Å; L210-F235 HydrophobicContact CD1-CE1 4.07Å; L210-F235 HydrophobicContact CD1-CG 3.72Å; L210-F235 HydrophobicContact CG-CB 4.02Å; L210-F235 HydrophobicContact CG-CD1 3.84Å; L210-F235 HydrophobicContact CG-CD2 4.02Å; L210-F235 HydrophobicContact CG-CE1 4.29Å; L210-F235 HydrophobicContact CG-CE2 4.45Å; L210-F235 HydrophobicContact CG-CG 3.68Å; L210-F333 HydrophobicContact CB-CZ 4.36Å; L210-F333 HydrophobicContact CD1-CZ 4.03Å; L210-M341 HydrophobicContact CD1-CE 3.63Å
211	V	98.1	Very high	95.9	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-56.6	-48.3	177.7	175.5	0	0	0	0	110.9	K207 D208 T209 Y213 Y214 H215 W228 W329 H332 F333	K207-V211 WeakPolarHBondContact O-CG2 3.48Å; K207-V211 PolarHBondContact O-N 3.22Å; D208-V211 PolarHBondContact O-N 3.11Å; T209-V211 PolarHBondContact O-N 3.16Å; V211-Y213 PolarHBondContact O-N 3Å; V211-Y214 PolarHBondContact O-N 3.49Å; V211-H215 PolarHBondContact O-CD2 3.06Å; V211-H215 PolarHBondContact O-N 3.44Å; V211-W228 HydrophobicContact CG2-CH2 3.82Å; V211-W228 HydrophobicContact CG2-CZ3 4.36Å; V211-W329 HydrophobicContact CG2-CB 3.97Å; V211-H332 HydrophobicContact CG2-CB 4.07Å; V211-F333 HydrophobicContact CG2-CD2 4.15Å; V211-F333 HydrophobicContact CG2-CE2 3.75Å
212	S	97.1	Very high	95.4	Very high	14 Å²	14	16.8 Å²	16.8	10%	0.098	9%	0.089	C	C	.	.	H	α-helix	trans	-65.9	-28	179.6	-170.6	0	0	0	0	112.5	K129 D208 T209 L210 F216	K129-S212 WeakPolarHBondContact CE-O 3.32Å; K129-S212 VanDerWaalsContact CE-OG 3.23Å; K129-S212 WeakPolarHBondContact CE-OG 3.25Å; D208-S212 WeakPolarHBondContact O-CB 3.23Å; D208-S212 PolarHBondContact O-N 3.29Å; T209-S212 PolarHBondContact O-N 2.94Å; L210-S212 VanDerWaalsContact C-N 3.32Å; L210-S212 PolarHBondContact O-N 3.34Å; S212-F216 VanDerWaalsContact O-CB 3.32Å; S212-F216 WeakPolarHBondContact O-CB 3.43Å; S212-F216 PolarHBondContact O-N 3.34Å
213	Y	97.7	Very high	95	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.008	9%	0.09	C	C	.	.	H	α-helix	trans	-77.6	-44.5	178.8	-158.2	-179.9	0	0	0	112	Y127 P128 K129 T209 L210 V211 H215 F216 C217 F231 F235 V240 G241 W242	Y127-Y213 HydrophobicContact CE1-CD1 4.11Å; Y127-Y213 HydrophobicContact CE1-CE1 4.16Å; P128-Y213 HydrophobicContact CB-CD1 4.33Å; P128-Y213 HydrophobicContact CB-CE1 3.96Å; P128-Y213 HydrophobicContact CB-CE2 4.2Å; P128-Y213 HydrophobicContact CG-CE1 4.36Å; K129-Y213 HydrophobicContact CG-CD2 4Å; K129-Y213 HydrophobicContact CG-CG 4.04Å; T209-Y213 WeakPolarHBondContact O-CB 3.46Å; T209-Y213 PolarHBondContact O-N 3.46Å; L210-Y213 WeakPolarHBondContact O-CA 3.28Å; L210-Y213 PolarHBondContact O-N 3.35Å; V211-Y213 PolarHBondContact O-N 3Å; Y213-H215 VanDerWaalsContact C-N 3.34Å; Y213-H215 PolarHBondContact O-N 3.06Å; Y213-F216 HydrophobicContact CD2-CD1 4.07Å; Y213-F216 HydrophobicContact CE2-CD1 4.1Å; Y213-F216 WeakPolarHBondContact O-CB 3.2Å; Y213-F216 PolarHBondContact O-N 2.63Å; Y213-C217 VanDerWaalsContact CD2-SG 3.55Å; Y213-C217 WeakPolarHBondContact CE2-SG 3.36Å; Y213-C217 PolarHBondContact O-N 3.44Å; Y213-F231 HydrophobicContact CD1-CZ 4.2Å; Y213-F231 HydrophobicContact CD2-CZ 4.16Å; Y213-F231 HydrophobicContact CG-CE1 4.46Å; Y213-F231 AromaticContact CG-CZ 3.85Å; Y213-F231 HydrophobicContact CG-CZ 3.85Å; Y213-F235 HydrophobicContact CD1-CD2 4.19Å; Y213-F235 HydrophobicContact CD1-CE2 4.15Å; Y213-V240 HydrophobicContact CE1-CB 4.18Å; Y213-V240 HydrophobicContact CE1-CG2 3.86Å; Y213-G241 VanDerWaalsContact OH-C 3.27Å; Y213-G241 VanDerWaalsContact OH-CA 3.24Å; Y213-G241 WeakPolarHBondContact OH-CA 3.42Å; Y213-G241 PolarHBondContact OH-N 3.03Å; Y213-G241 PolarHBondContact OH-O 2.84Å; Y213-W242 VanDerWaalsContact OH-CE3 3.25Å
214	Y	97.3	Very high	94.7	Very high	37 Å²	37	17.8 Å²	17.8	15%	0.145	10%	0.095	C	C	.	.	H	α-helix	trans	-49.8	-54.4	170.8	171.1	-101.6	0	0	0	111.9	L210 V211 F216 C217 N218 V226 W228 F231	L210-Y214 PolarHBondContact O-N 3.19Å; V211-Y214 PolarHBondContact O-N 3.49Å; Y214-F216 VanDerWaalsContact C-N 3.28Å; Y214-F216 PolarHBondContact O-N 3Å; Y214-C217 PolarHBondContact O-N 2.75Å; Y214-N218 WeakPolarHBondContact CD2-ND2 3.23Å; Y214-N218 WeakPolarHBondContact CE2-ND2 3.41Å; Y214-N218 PolarHBondContact O-N 2.74Å; Y214-N218 PolarHBondContact O-ND2 2.98Å; Y214-V226 WeakPolarHBondContact CE2-O 3.37Å; Y214-W228 AromaticContact CD1-CE3 3.79Å; Y214-W228 HydrophobicContact CD1-CE3 3.79Å; Y214-W228 HydrophobicContact CD1-CZ3 4.13Å; Y214-W228 AromaticContact CD2-CE3 3.85Å; Y214-W228 HydrophobicContact CD2-CE3 3.85Å; Y214-W228 HydrophobicContact CD2-CZ3 4.48Å; Y214-W228 HydrophobicContact CE1-CE3 4.17Å; Y214-W228 VanDerWaalsContact CE2-CA 3.43Å; Y214-W228 HydrophobicContact CE2-CB 4.08Å; Y214-W228 HydrophobicContact CE2-CE3 4.18Å; Y214-W228 AromaticContact CG-CE3 3.61Å; Y214-W228 HydrophobicContact CG-CE3 3.61Å; Y214-W228 AromaticContact CG-CZ3 3.9Å; Y214-W228 HydrophobicContact CG-CZ3 3.9Å; Y214-F231 HydrophobicContact CD2-CB 3.67Å; Y214-F231 AromaticContact CD2-CD1 3.98Å; Y214-F231 HydrophobicContact CD2-CD1 3.98Å; Y214-F231 HydrophobicContact CD2-CD2 4.44Å; Y214-F231 AromaticContact CD2-CG 3.76Å; Y214-F231 HydrophobicContact CD2-CG 3.76Å; Y214-F231 HydrophobicContact CE2-CB 4.26Å; Y214-F231 HydrophobicContact CG-CD1 4.34Å; Y214-F231 VanDerWaalsContact N-CE1 3.29Å
215	H	95.3	Very high	94.4	Very high	43 Å²	43	20.2 Å²	20.2	20%	0.199	11%	0.114	C	C	.	.	H	α-helix	trans	-66.1	-31.2	179.9	-75.8	-67.7	0	0	0	112.6	V211 Y213 N219 H332	V211-H215 PolarHBondContact O-CD2 3.06Å; V211-H215 PolarHBondContact O-N 3.44Å; Y213-H215 VanDerWaalsContact C-N 3.34Å; Y213-H215 PolarHBondContact O-N 3.06Å; H215-N219 VanDerWaalsContact O-CB 3.27Å; H215-N219 WeakPolarHBondContact O-CB 3.46Å; H215-N219 PolarHBondContact O-N 3.44Å; H215-N219 VanDerWaalsContact O-N 3.16Å; H215-N219 PolarHBondContact O-ND2 3.35Å; H215-H332 AromaticContact CD2-NE2 3.98Å; H215-H332 AromaticContact CE1-NE2 3.96Å; H215-H332 AromaticContact NE2-CD2 3.66Å; H215-H332 AromaticContact NE2-NE2 3.02Å; H215-H332 PolarHBondContact NE2-NE2 3.06Å
216	F	93.8	Very high	94.2	Very high	21 Å²	21	21.4 Å²	21.4	9%	0.092	12%	0.121	C	C	.	.	H	α-helix	trans	-69.7	-44.7	177.2	172.8	-110.6	0	0	0	112.1	K129 S212 Y213 Y214 N220 L223 V319	K129-F216 HydrophobicContact CD-CB 3.68Å; K129-F216 HydrophobicContact CD-CD1 3.88Å; K129-F216 HydrophobicContact CD-CD2 4.21Å; K129-F216 HydrophobicContact CD-CG 3.66Å; K129-F216 HydrophobicContact CG-CB 4.24Å; S212-F216 VanDerWaalsContact O-CB 3.32Å; S212-F216 WeakPolarHBondContact O-CB 3.43Å; S212-F216 PolarHBondContact O-N 3.34Å; Y213-F216 HydrophobicContact CD2-CD1 4.07Å; Y213-F216 HydrophobicContact CE2-CD1 4.1Å; Y213-F216 WeakPolarHBondContact O-CB 3.2Å; Y213-F216 PolarHBondContact O-N 2.63Å; Y214-F216 VanDerWaalsContact C-N 3.28Å; Y214-F216 PolarHBondContact O-N 3Å; F216-N220 WeakPolarHBondContact O-CB 3.27Å; F216-N220 PolarHBondContact O-N 2.9Å; F216-N220 VanDerWaalsContact O-N 3.15Å; F216-L223 HydrophobicContact CD1-CD1 3.69Å; F216-L223 HydrophobicContact CE1-CD1 3.29Å; F216-L223 HydrophobicContact CZ-CD1 3.96Å; F216-V319 HydrophobicContact CD2-CG1 3.98Å
217	C	93.3	Very high	94.1	Very high	9 Å²	9	28.4 Å²	28.4	6%	0.061	15%	0.154	C	C	.	.	H	α-helix	trans	-63.2	-50.8	177.4	-69.5	0	0	0	0	111	Y213 Y214 N219 N220 L223 P224 F231	Y213-C217 VanDerWaalsContact CD2-SG 3.55Å; Y213-C217 WeakPolarHBondContact CE2-SG 3.36Å; Y213-C217 PolarHBondContact O-N 3.44Å; Y214-C217 PolarHBondContact O-N 2.75Å; C217-N219 VanDerWaalsContact C-N 3.27Å; C217-N219 PolarHBondContact O-N 2.74Å; C217-N220 PolarHBondContact O-N 3.19Å; C217-N220 VanDerWaalsContact O-N 3.07Å; C217-N220 VanDerWaalsContact O-O 3.13Å; C217-L223 HydrophobicContact CB-CB 4.36Å; C217-P224 WeakPolarHBondContact CB-O 3.39Å; C217-F231 HydrophobicContact CB-CE2 4.15Å
218	N	91.8	Very high	94.1	Very high	38 Å²	38	30 Å²	30	20%	0.203	16%	0.16	C	C	.	.	H	α-helix	trans	-67.4	-23.7	-176.8	-76.6	-58.4	0	0	0	114.4	Y214 S225 V226	Y214-N218 WeakPolarHBondContact CD2-ND2 3.23Å; Y214-N218 WeakPolarHBondContact CE2-ND2 3.41Å; Y214-N218 PolarHBondContact O-N 2.74Å; Y214-N218 PolarHBondContact O-ND2 2.98Å; N218-S225 WeakPolarHBondContact OD1-CA 3.4Å; N218-S225 WeakPolarHBondContact OD1-CB 3.24Å; N218-S225 PolarHBondContact OD1-OG 2.88Å; N218-V226 PolarHBondContact ND2-O 3.39Å; N218-V226 PolarHBondContact OD1-N 3.21Å; N218-V226 PolarHBondContact OD1-O 2.9Å
219	N	89.8	Confident	94.1	Very high	88 Å²	88	34.9 Å²	34.9	47%	0.471	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	7.6	175.7	-64.5	-57.2	0	0	0	113.1	H215 C217 V319	H215-N219 VanDerWaalsContact O-CB 3.27Å; H215-N219 WeakPolarHBondContact O-CB 3.46Å; H215-N219 PolarHBondContact O-N 3.44Å; H215-N219 VanDerWaalsContact O-N 3.16Å; H215-N219 PolarHBondContact O-ND2 3.35Å; C217-N219 VanDerWaalsContact C-N 3.27Å; C217-N219 PolarHBondContact O-N 2.74Å; N219-V319 HydrophobicContact CB-CB 4.34Å; N219-V319 HydrophobicContact CB-CG1 3.69Å; N219-V319 HydrophobicContact CB-CG2 3.88Å; N219-V319 WeakPolarHBondContact O-CG2 3.48Å
220	N	88	Confident	94	Very high	13 Å²	13	37.4 Å²	37.4	7%	0.07	20%	0.204	C	C	.	.			trans	-119.5	106.7	177.6	-174.4	-2.1	0	0	0	110	F216 C217 V222 L223 M316	F216-N220 WeakPolarHBondContact O-CB 3.27Å; F216-N220 PolarHBondContact O-N 2.9Å; F216-N220 VanDerWaalsContact O-N 3.15Å; C217-N220 PolarHBondContact O-N 3.19Å; C217-N220 VanDerWaalsContact O-N 3.07Å; C217-N220 VanDerWaalsContact O-O 3.13Å; N220-V222 PolarHBondContact O-N 2.94Å; N220-V222 VanDerWaalsContact OD1-CG2 3.32Å; N220-V222 WeakPolarHBondContact OD1-CG2 3.45Å; N220-V222 PolarHBondContact OD1-N 3Å; N220-L223 HydrophobicContact CB-CB 4.49Å; N220-L223 HydrophobicContact CB-CD1 4.12Å; N220-L223 HydrophobicContact CB-CG 4.39Å; N220-L223 PolarHBondContact O-N 3.46Å; N220-M316 HydrophobicContact CB-CE 4.13Å
221	P	86.9	Confident	94	Very high	58 Å²	58	37.7 Å²	37.7	38%	0.377	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.6	-173	26.7	-36.4	0	0	0	113.8	L79 A82 K90 L223	L79-P221 HydrophobicContact CD2-CG 3.37Å; A82-P221 WeakPolarHBondContact CB-O 2.96Å; K90-P221 WeakPolarHBondContact CE-O 3.5Å; K90-P221 PolarHBondContact NZ-O 3.15Å; K90-P221 VanDerWaalsContact NZ-O 3.11Å; P221-L223 PolarHBondContact O-N 3.01Å
222	V	88.4	Confident	94	Very high	16 Å²	16	37.8 Å²	37.8	10%	0.097	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-2.7	176	-46.4	0	0	0	0	113.7	L79 A82 L102 M103 N220	L79-V222 HydrophobicContact CD2-CG1 4.13Å; A82-V222 HydrophobicContact CB-CB 4.24Å; A82-V222 HydrophobicContact CB-CG1 3.9Å; L102-V222 HydrophobicContact CB-CB 4.35Å; L102-V222 HydrophobicContact CD1-CB 4.2Å; L102-V222 HydrophobicContact CD1-CG1 4.35Å; M103-V222 HydrophobicContact CG-CG2 3.65Å; M103-V222 HydrophobicContact SD-CG2 3.72Å; N220-V222 PolarHBondContact O-N 2.94Å; N220-V222 VanDerWaalsContact OD1-CG2 3.32Å; N220-V222 WeakPolarHBondContact OD1-CG2 3.45Å; N220-V222 PolarHBondContact OD1-N 3Å
223	L	91.3	Very high	94.1	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.016	22%	0.219	C	C	.	.	S	Bend	trans	-115	161.3	176.6	-64.9	176	0	0	0	110.7	K90 P100 M103 F216 C217 N220 P221	K90-L223 VanDerWaalsContact CD-C 3.41Å; K90-L223 VanDerWaalsContact CD-O 3.25Å; K90-L223 WeakPolarHBondContact CD-O 3.01Å; K90-L223 PolarHBondContact NZ-O 3.05Å; P100-L223 HydrophobicContact CB-CD2 3.56Å; P100-L223 HydrophobicContact CG-CD2 3.59Å; M103-L223 HydrophobicContact SD-CD1 4.37Å; M103-L223 HydrophobicContact SD-CD2 3.93Å; M103-L223 HydrophobicContact SD-CG 4.2Å; F216-L223 HydrophobicContact CD1-CD1 3.69Å; F216-L223 HydrophobicContact CE1-CD1 3.29Å; F216-L223 HydrophobicContact CZ-CD1 3.96Å; C217-L223 HydrophobicContact CB-CB 4.36Å; N220-L223 HydrophobicContact CB-CB 4.49Å; N220-L223 HydrophobicContact CB-CD1 4.12Å; N220-L223 HydrophobicContact CB-CG 4.39Å; N220-L223 PolarHBondContact O-N 3.46Å; P221-L223 PolarHBondContact O-N 3.01Å
224	P	91.2	Very high	94.1	Very high	18 Å²	18	42.2 Å²	42.2	12%	0.117	23%	0.231	C	C	.	.			trans	-61.3	143	172.3	-21.4	32.6	0	0	0	111.8	D87 K90 L91 C217 V226	D87-P224 HydrophobicContact CB-CB 4.13Å; K90-P224 HydrophobicContact CB-CG 4.13Å; L91-P224 HydrophobicContact CD1-CG 3.88Å; L91-P224 HydrophobicContact CD2-CG 4.24Å; L91-P224 HydrophobicContact CG-CG 3.69Å; C217-P224 WeakPolarHBondContact CB-O 3.39Å; P224-V226 HydrophobicContact CB-CG2 4.25Å
225	S	92.1	Very high	94.1	Very high	63 Å²	63	40.5 Å²	40.5	44%	0.441	22%	0.224	S	C	.	.			trans	-101.6	129.4	168.7	-165.7	0	0	0	0	108.5	D87 N218	D87-S225 PolarHBondContact OD2-N 3.2Å; N218-S225 WeakPolarHBondContact OD1-CA 3.4Å; N218-S225 WeakPolarHBondContact OD1-CB 3.24Å; N218-S225 PolarHBondContact OD1-OG 2.88Å
226	V	93.6	Very high	94.3	Very high	25 Å²	25	39.6 Å²	39.6	15%	0.152	22%	0.22	C	C	.	.			trans	-144.9	140.6	-173.7	-172.5	0	0	0	0	108.6	Y214 N218 P224 S230 F231	Y214-V226 WeakPolarHBondContact CE2-O 3.37Å; N218-V226 PolarHBondContact ND2-O 3.39Å; N218-V226 PolarHBondContact OD1-N 3.21Å; N218-V226 PolarHBondContact OD1-O 2.9Å; P224-V226 HydrophobicContact CB-CG2 4.25Å; V226-S230 VanDerWaalsContact CG1-CB 3.49Å; V226-S230 VanDerWaalsContact CG1-OG 3.29Å; V226-S230 WeakPolarHBondContact CG1-OG 3.39Å; V226-F231 HydrophobicContact CB-CB 4.39Å; V226-F231 HydrophobicContact CG1-CB 4.34Å
227	E	96.8	Very high	94.5	Very high	147 Å²	147	45.9 Å²	45.9	69%	0.687	25%	0.247	S	C	*	.			trans	-62	154.2	172.4	-65.6	-57.8	134.3	0	0	112.8	D229 S230 F231	E227-D229 PolarHBondContact O-N 3.36Å; E227-S230 PolarHBondContact O-N 2.93Å; E227-F231 PolarHBondContact O-N 3.02Å
228	W	97.6	Very high	94.7	Very high	35 Å²	35	45.9 Å²	45.9	13%	0.133	25%	0.249	C	C	.	.	H	α-helix	trans	-50.6	-55.9	-171.4	173.4	-106.8	0	0	0	114.1	L210 V211 Y214 S230 F231 F232 H332 F333	L210-W228 HydrophobicContact CD2-CH2 3.44Å; L210-W228 VanDerWaalsContact CD2-CH2 3.44Å; L210-W228 HydrophobicContact CD2-CZ2 4.26Å; L210-W228 HydrophobicContact CD2-CZ3 3.61Å; V211-W228 HydrophobicContact CG2-CH2 3.82Å; V211-W228 HydrophobicContact CG2-CZ3 4.36Å; Y214-W228 AromaticContact CD1-CE3 3.79Å; Y214-W228 HydrophobicContact CD1-CE3 3.79Å; Y214-W228 HydrophobicContact CD1-CZ3 4.13Å; Y214-W228 AromaticContact CD2-CE3 3.85Å; Y214-W228 HydrophobicContact CD2-CE3 3.85Å; Y214-W228 HydrophobicContact CD2-CZ3 4.48Å; Y214-W228 HydrophobicContact CE1-CE3 4.17Å; Y214-W228 VanDerWaalsContact CE2-CA 3.43Å; Y214-W228 HydrophobicContact CE2-CB 4.08Å; Y214-W228 HydrophobicContact CE2-CE3 4.18Å; Y214-W228 AromaticContact CG-CE3 3.61Å; Y214-W228 HydrophobicContact CG-CE3 3.61Å; Y214-W228 AromaticContact CG-CZ3 3.9Å; Y214-W228 HydrophobicContact CG-CZ3 3.9Å; W228-S230 VanDerWaalsContact C-N 3.29Å; W228-S230 PolarHBondContact O-N 3.45Å; W228-F231 PolarHBondContact O-N 3.5Å; W228-F231 VanDerWaalsContact O-N 3.17Å; W228-F232 WeakPolarHBondContact O-CB 3.33Å; W228-F232 PolarHBondContact O-N 3.07Å; W228-H332 HydrophobicContact CH2-CB 3.74Å; W228-H332 HydrophobicContact CZ2-CB 3.75Å; W228-H332 HydrophobicContact CZ3-CB 4.29Å; W228-H332 PolarHBondContact NE1-O 3.35Å; W228-F333 HydrophobicContact CH2-CD2 4.04Å; W228-F333 AromaticContact CH2-CE2 3.88Å; W228-F333 HydrophobicContact CH2-CE2 3.88Å; W228-F333 AromaticContact CZ2-CD2 3.81Å; W228-F333 HydrophobicContact CZ2-CD2 3.81Å; W228-F333 HydrophobicContact CZ2-CE2 4.01Å; W228-F333 HydrophobicContact CZ2-CG 4.41Å
229	D	98.2	Very high	94.9	Very high	102 Å²	102	46.8 Å²	46.8	55%	0.545	25%	0.254	S	S	.	.	H	α-helix	trans	-65.4	-34.1	-174.2	-65.3	-29.5	0	0	0	112.8	E227 S233 Q337	E227-D229 PolarHBondContact O-N 3.36Å; D229-S233 WeakPolarHBondContact O-CB 3.43Å; D229-S233 PolarHBondContact O-N 3Å; D229-S233 PolarHBondContact O-OG 3.22Å; D229-Q337 PolarHBondContact OD1-NE2 2.85Å
230	S	97.6	Very high	95.2	Very high	53 Å²	53	42.8 Å²	42.8	37%	0.371	23%	0.232	S	C	.	.	H	α-helix	trans	-71.3	-42.5	175.7	178.3	0	0	0	0	110.7	V226 E227 W228 S233 Q234	V226-S230 VanDerWaalsContact CG1-CB 3.49Å; V226-S230 VanDerWaalsContact CG1-OG 3.29Å; V226-S230 WeakPolarHBondContact CG1-OG 3.39Å; E227-S230 PolarHBondContact O-N 2.93Å; W228-S230 VanDerWaalsContact C-N 3.29Å; W228-S230 PolarHBondContact O-N 3.45Å; S230-S233 PolarHBondContact O-N 2.91Å; S230-Q234 VanDerWaalsContact O-CG 3.28Å; S230-Q234 WeakPolarHBondContact O-CG 3.11Å; S230-Q234 PolarHBondContact O-N 2.93Å; S230-Q234 PolarHBondContact OG-NE2 2.72Å; S230-Q234 VanDerWaalsContact OG-NE2 3.09Å
231	F	97.9	Very high	95.6	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.026	23%	0.231	C	C	.	.	H	α-helix	trans	-64.2	-42.2	175.3	-170.8	-89.6	0	0	0	112	L210 Y213 Y214 C217 V226 E227 W228 S233 Q234 F235 V240	L210-F231 HydrophobicContact CD2-CD1 4.12Å; L210-F231 HydrophobicContact CD2-CE1 4.34Å; Y213-F231 HydrophobicContact CD1-CZ 4.2Å; Y213-F231 HydrophobicContact CD2-CZ 4.16Å; Y213-F231 HydrophobicContact CG-CE1 4.46Å; Y213-F231 AromaticContact CG-CZ 3.85Å; Y213-F231 HydrophobicContact CG-CZ 3.85Å; Y214-F231 HydrophobicContact CD2-CB 3.67Å; Y214-F231 AromaticContact CD2-CD1 3.98Å; Y214-F231 HydrophobicContact CD2-CD1 3.98Å; Y214-F231 HydrophobicContact CD2-CD2 4.44Å; Y214-F231 AromaticContact CD2-CG 3.76Å; Y214-F231 HydrophobicContact CD2-CG 3.76Å; Y214-F231 HydrophobicContact CE2-CB 4.26Å; Y214-F231 HydrophobicContact CG-CD1 4.34Å; Y214-F231 VanDerWaalsContact N-CE1 3.29Å; C217-F231 HydrophobicContact CB-CE2 4.15Å; V226-F231 HydrophobicContact CB-CB 4.39Å; V226-F231 HydrophobicContact CG1-CB 4.34Å; E227-F231 PolarHBondContact O-N 3.02Å; W228-F231 PolarHBondContact O-N 3.5Å; W228-F231 VanDerWaalsContact O-N 3.17Å; F231-S233 VanDerWaalsContact C-N 3.34Å; F231-S233 PolarHBondContact O-N 3.39Å; F231-Q234 PolarHBondContact O-N 3.48Å; F231-F235 WeakPolarHBondContact O-CB 3.45Å; F231-F235 PolarHBondContact O-N 3.34Å; F231-V240 HydrophobicContact CE2-CG1 4.18Å; F231-V240 HydrophobicContact CZ-CG1 4.26Å
232	F	98.6	Very high	96	Very high	3 Å²	3	39.9 Å²	39.9	1%	0.013	21%	0.214	C	C	.	.	H	α-helix	trans	-54.9	-52	173.2	176.2	-88	0	0	0	110.4	L210 W228 Q234 F235 M236 F333 Q337 E340	L210-F232 HydrophobicContact CD1-CD2 3.54Å; L210-F232 HydrophobicContact CD1-CE2 3.98Å; L210-F232 HydrophobicContact CD1-CG 4.39Å; L210-F232 HydrophobicContact CD2-CD2 4.43Å; W228-F232 WeakPolarHBondContact O-CB 3.33Å; W228-F232 PolarHBondContact O-N 3.07Å; F232-Q234 VanDerWaalsContact C-N 3.32Å; F232-Q234 PolarHBondContact O-N 3.32Å; F232-F235 PolarHBondContact O-N 3.22Å; F232-M236 HydrophobicContact CD1-CG 4.14Å; F232-M236 HydrophobicContact CE1-CG 3.68Å; F232-M236 HydrophobicContact CE2-CG 4.23Å; F232-M236 HydrophobicContact CE2-SD 4.4Å; F232-M236 HydrophobicContact CZ-CG 3.72Å; F232-M236 HydrophobicContact CZ-SD 4.14Å; F232-M236 WeakPolarHBondContact O-CG 3.33Å; F232-M236 PolarHBondContact O-N 2.79Å; F232-F333 HydrophobicContact CD2-CE1 4.22Å; F232-F333 HydrophobicContact CD2-CZ 4.43Å; F232-F333 HydrophobicContact CE2-CD1 4.16Å; F232-F333 AromaticContact CE2-CE1 3.62Å; F232-F333 HydrophobicContact CE2-CE1 3.62Å; F232-F333 HydrophobicContact CE2-CZ 4.19Å; F232-Q337 HydrophobicContact CD1-CG 3.96Å; F232-Q337 HydrophobicContact CD2-CB 4.13Å; F232-Q337 HydrophobicContact CD2-CG 4.16Å; F232-Q337 HydrophobicContact CE1-CB 4.13Å; F232-Q337 HydrophobicContact CE1-CG 3.85Å; F232-Q337 HydrophobicContact CE2-CB 3.65Å; F232-Q337 HydrophobicContact CE2-CG 4.06Å; F232-Q337 HydrophobicContact CG-CG 4.13Å; F232-Q337 HydrophobicContact CZ-CB 3.66Å; F232-Q337 HydrophobicContact CZ-CG 3.91Å; F232-Q337 WeakPolarHBondContact CZ-O 3.34Å; F232-E340 WeakPolarHBondContact CE1-OE2 3.5Å; F232-E340 HydrophobicContact CZ-CB 4.29Å
233	S	98.4	Very high	96.4	Very high	53 Å²	53	39.3 Å²	39.3	37%	0.371	21%	0.212	S	C	.	.	H	α-helix	trans	-59.5	-40.6	179	-61.7	0	0	0	0	112.8	D229 S230 F231 K237	D229-S233 WeakPolarHBondContact O-CB 3.43Å; D229-S233 PolarHBondContact O-N 3Å; D229-S233 PolarHBondContact O-OG 3.22Å; S230-S233 PolarHBondContact O-N 2.91Å; F231-S233 VanDerWaalsContact C-N 3.34Å; F231-S233 PolarHBondContact O-N 3.39Å; S233-K237 VanDerWaalsContact O-CG 3.31Å; S233-K237 WeakPolarHBondContact O-CG 3.45Å; S233-K237 PolarHBondContact O-N 3.29Å
234	Q	97.9	Very high	96.8	Very high	56 Å²	56	39.8 Å²	39.8	26%	0.262	22%	0.215	S	C	.	.	H	α-helix	trans	-66.5	-44.8	176.6	-72.7	171.2	35.9	0	0	111.6	S230 F231 F232 M236 K237 G238 D239 V240	S230-Q234 VanDerWaalsContact O-CG 3.28Å; S230-Q234 WeakPolarHBondContact O-CG 3.11Å; S230-Q234 PolarHBondContact O-N 2.93Å; S230-Q234 PolarHBondContact OG-NE2 2.72Å; S230-Q234 VanDerWaalsContact OG-NE2 3.09Å; F231-Q234 PolarHBondContact O-N 3.48Å; F232-Q234 VanDerWaalsContact C-N 3.32Å; F232-Q234 PolarHBondContact O-N 3.32Å; Q234-M236 PolarHBondContact O-N 2.69Å; Q234-K237 CarbonylContact O-C 3.57Å; Q234-K237 PolarHBondContact O-N 3.1Å; Q234-G238 PolarHBondContact O-N 2.83Å; Q234-D239 HydrophobicContact CB-CB 4.46Å; Q234-D239 PolarHBondContact O-N 3.47Å; Q234-V240 HydrophobicContact CB-CG1 3.91Å
235	F	98.5	Very high	97.1	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.8	-45.2	177.5	-176.4	-83.2	0	0	0	111.5	Y127 L210 Y213 F231 F232 K237 G238 V240 Y245 M341	Y127-F235 AromaticContact CE1-CE2 3.99Å; Y127-F235 HydrophobicContact CE1-CE2 3.99Å; Y127-F235 HydrophobicContact CE1-CZ 4.5Å; L210-F235 HydrophobicContact CB-CD1 4.18Å; L210-F235 HydrophobicContact CB-CD2 4.28Å; L210-F235 HydrophobicContact CB-CE1 4.11Å; L210-F235 HydrophobicContact CB-CE2 4.2Å; L210-F235 HydrophobicContact CB-CG 4.26Å; L210-F235 HydrophobicContact CB-CZ 4.11Å; L210-F235 HydrophobicContact CD1-CB 3.94Å; L210-F235 HydrophobicContact CD1-CD1 3.46Å; L210-F235 VanDerWaalsContact CD1-CD1 3.46Å; L210-F235 HydrophobicContact CD1-CE1 4.07Å; L210-F235 HydrophobicContact CD1-CG 3.72Å; L210-F235 HydrophobicContact CG-CB 4.02Å; L210-F235 HydrophobicContact CG-CD1 3.84Å; L210-F235 HydrophobicContact CG-CD2 4.02Å; L210-F235 HydrophobicContact CG-CE1 4.29Å; L210-F235 HydrophobicContact CG-CE2 4.45Å; L210-F235 HydrophobicContact CG-CG 3.68Å; Y213-F235 HydrophobicContact CD1-CD2 4.19Å; Y213-F235 HydrophobicContact CD1-CE2 4.15Å; F231-F235 WeakPolarHBondContact O-CB 3.45Å; F231-F235 PolarHBondContact O-N 3.34Å; F232-F235 PolarHBondContact O-N 3.22Å; F235-K237 VanDerWaalsContact C-N 3.25Å; F235-K237 PolarHBondContact O-N 3.28Å; F235-G238 PolarHBondContact O-N 2.99Å; F235-V240 HydrophobicContact CB-CG1 4.33Å; F235-V240 HydrophobicContact CD2-CG2 4.32Å; F235-Y245 HydrophobicContact CZ-CD2 4.34Å; F235-Y245 HydrophobicContact CZ-CG 4.01Å; F235-M341 HydrophobicContact CD1-CE 4.12Å; F235-M341 HydrophobicContact CE1-CE 3.89Å
236	M	98.6	Very high	97.4	Very high	25 Å²	25	36 Å²	36	12%	0.123	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-32.4	178.5	-68.1	-53.2	-67.8	0	0	112.9	F232 Q234 F246 E340 M341 A344	F232-M236 HydrophobicContact CD1-CG 4.14Å; F232-M236 HydrophobicContact CE1-CG 3.68Å; F232-M236 HydrophobicContact CE2-CG 4.23Å; F232-M236 HydrophobicContact CE2-SD 4.4Å; F232-M236 HydrophobicContact CZ-CG 3.72Å; F232-M236 HydrophobicContact CZ-SD 4.14Å; F232-M236 WeakPolarHBondContact O-CG 3.33Å; F232-M236 PolarHBondContact O-N 2.79Å; Q234-M236 PolarHBondContact O-N 2.69Å; M236-F246 HydrophobicContact CE-CE2 4.37Å; M236-E340 HydrophobicContact CE-CG 4.24Å; M236-M341 HydrophobicContact CE-SD 4.35Å; M236-M341 HydrophobicContact SD-CE 3.41Å; M236-M341 WeakPolarHBondContact SD-CE 3.43Å; M236-M341 HydrophobicContact SD-SD 3.86Å; M236-A344 HydrophobicContact CE-CB 3.47Å; M236-A344 VanDerWaalsContact CE-CB 3.47Å
237	K	97.9	Very high	97.7	Very high	152 Å²	152	38.7 Å²	38.7	66%	0.661	20%	0.203	S	C	*	.	H	α-helix	trans	-82.1	-13.6	174.7	-68	171.1	-173.3	174	0	113.7	S233 Q234 F235 D239	S233-K237 VanDerWaalsContact O-CG 3.31Å; S233-K237 WeakPolarHBondContact O-CG 3.45Å; S233-K237 PolarHBondContact O-N 3.29Å; Q234-K237 CarbonylContact O-C 3.57Å; Q234-K237 PolarHBondContact O-N 3.1Å; F235-K237 VanDerWaalsContact C-N 3.25Å; F235-K237 PolarHBondContact O-N 3.28Å; K237-D239 VanDerWaalsContact C-N 3.28Å; K237-D239 HydrophobicContact CB-CB 4.47Å
238	G	97.4	Very high	97.7	Very high	9 Å²	9	31.8 Å²	31.8	9%	0.093	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	15.7	-171	0	0	0	0	0	114	Q234 F235 V240 G243	Q234-G238 PolarHBondContact O-N 2.83Å; F235-G238 PolarHBondContact O-N 2.99Å; G238-V240 PolarHBondContact O-N 3.29Å; G238-V240 VanDerWaalsContact O-N 3.13Å; G238-G243 CarbonylContact O-C 3.52Å; G238-G243 WeakPolarHBondContact O-CA 3.38Å
239	D	96.3	Very high	97.8	Very high	57 Å²	57	30.1 Å²	30.1	31%	0.305	16%	0.164	S	C	.	.			trans	-86.7	45.3	177.3	-73.5	-40.8	0	0	0	111.5	R93 L98 Q234 K237	R93-D239 IonicContact CZ-OD1 3.25Å; R93-D239 IonicContact NH1-OD1 3.39Å; R93-D239 IonicContact NH2-OD1 2.69Å; R93-D239 PolarHBondContact NH2-OD1 3.44Å; L98-D239 HydrophobicContact CD1-CB 4.33Å; Q234-D239 HydrophobicContact CB-CB 4.46Å; Q234-D239 PolarHBondContact O-N 3.47Å; K237-D239 VanDerWaalsContact C-N 3.28Å; K237-D239 HydrophobicContact CB-CB 4.47Å
240	V	96.6	Very high	97.8	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.024	15%	0.151	C	C	.	.	S	Bend	trans	-125	167.6	174.8	-65.1	0	0	0	0	109.7	L98 Y127 Y213 F231 Q234 F235 G238 G243	L98-V240 WeakPolarHBondContact CB-O 3.35Å; Y127-V240 WeakPolarHBondContact OH-CG2 3.44Å; Y213-V240 HydrophobicContact CE1-CB 4.18Å; Y213-V240 HydrophobicContact CE1-CG2 3.86Å; F231-V240 HydrophobicContact CE2-CG1 4.18Å; F231-V240 HydrophobicContact CZ-CG1 4.26Å; Q234-V240 HydrophobicContact CB-CG1 3.91Å; F235-V240 HydrophobicContact CB-CG1 4.33Å; F235-V240 HydrophobicContact CD2-CG2 4.32Å; G238-V240 PolarHBondContact O-N 3.29Å; G238-V240 VanDerWaalsContact O-N 3.13Å; V240-G243 WeakPolarHBondContact O-CA 3.33Å; V240-G243 PolarHBondContact O-N 3.16Å
241	G	95.8	Very high	97.8	Very high	3 Å²	3	25.6 Å²	25.6	3%	0.031	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-53.3	142.3	174.6	0	0	0	0	0	112.1	L98 Y213 G243	L98-G241 CarbonylContact O-C 3.5Å; L98-G241 WeakPolarHBondContact O-CA 3.17Å; Y213-G241 VanDerWaalsContact OH-C 3.27Å; Y213-G241 VanDerWaalsContact OH-CA 3.24Å; Y213-G241 WeakPolarHBondContact OH-CA 3.42Å; Y213-G241 PolarHBondContact OH-N 3.03Å; Y213-G241 PolarHBondContact OH-O 2.84Å; G241-G243 PolarHBondContact O-N 3.3Å; G241-G243 VanDerWaalsContact O-N 3.08Å
242	W	96.1	Very high	97.8	Very high	7 Å²	7	25.6 Å²	25.6	3%	0.027	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	8.2	-172.2	-54.3	-92.3	0	0	0	115.2	V97 L98 Y99 P100 M103 P128 F161 H182 Y213	V97-W242 VanDerWaalsContact CG1-C 3.49Å; L98-W242 PolarHBondContact O-N 2.59Å; Y99-W242 AromaticContact CD1-CD1 3.92Å; Y99-W242 HydrophobicContact CD1-CG 4.48Å; Y99-W242 AromaticContact CE1-CD1 3.57Å; Y99-W242 HydrophobicContact CE1-CG 4.27Å; P100-W242 HydrophobicContact CG-CE3 4.42Å; P100-W242 HydrophobicContact CG-CH2 3.47Å; P100-W242 VanDerWaalsContact CG-CH2 3.47Å; P100-W242 HydrophobicContact CG-CZ2 3.81Å; P100-W242 HydrophobicContact CG-CZ3 3.81Å; M103-W242 HydrophobicContact CE-CH2 4.07Å; M103-W242 HydrophobicContact CE-CZ2 4.49Å; M103-W242 HydrophobicContact SD-CH2 4.25Å; P128-W242 HydrophobicContact CB-CE3 4.06Å; P128-W242 HydrophobicContact CB-CZ3 4.4Å; P128-W242 HydrophobicContact CG-CB 3.77Å; P128-W242 HydrophobicContact CG-CD2 3.53Å; P128-W242 HydrophobicContact CG-CE3 3.26Å; P128-W242 HydrophobicContact CG-CG 3.75Å; P128-W242 HydrophobicContact CG-CZ3 4.01Å; F161-W242 HydrophobicContact CE1-CH2 4.45Å; F161-W242 AromaticContact CE1-CZ2 3.47Å; F161-W242 HydrophobicContact CE1-CZ2 3.47Å; F161-W242 VanDerWaalsContact CE1-CZ2 3.47Å; F161-W242 HydrophobicContact CZ-CH2 4.16Å; F161-W242 AromaticContact CZ-CZ2 3.6Å; F161-W242 HydrophobicContact CZ-CZ2 3.6Å; H182-W242 VanDerWaalsContact CB-CD1 3.43Å; H182-W242 HydrophobicContact CB-CD2 4.26Å; H182-W242 HydrophobicContact CB-CG 3.95Å; Y213-W242 VanDerWaalsContact OH-CE3 3.25Å
243	G	97.1	Very high	97.8	Very high	5 Å²	5	26.7 Å²	26.7	5%	0.052	14%	0.142	C	C	.	.			trans	80	-156.2	168	0	0	0	0	0	115.1	Y127 G238 V240 G241 Y245	Y127-G243 WeakPolarHBondContact CE2-O 3.42Å; Y127-G243 PolarHBondContact OH-O 3.23Å; G238-G243 CarbonylContact O-C 3.52Å; G238-G243 WeakPolarHBondContact O-CA 3.38Å; V240-G243 WeakPolarHBondContact O-CA 3.33Å; V240-G243 PolarHBondContact O-N 3.16Å; G241-G243 PolarHBondContact O-N 3.3Å; G241-G243 VanDerWaalsContact O-N 3.08Å; G243-Y245 PolarHBondContact O-N 3.42Å
244	S	98.3	Very high	97.8	Very high	13 Å²	13	31.2 Å²	31.2	9%	0.091	16%	0.157	C	C	.	.			trans	-69.8	123.9	-176	173.9	0	0	0	0	112.3	F246 D247 H248	S244-F246 PolarHBondContact O-N 3.47Å; S244-F246 PolarHBondContact OG-N 3.23Å; S244-D247 VanDerWaalsContact CB-CG 3.41Å; S244-D247 VanDerWaalsContact CB-OD2 3.23Å; S244-D247 WeakPolarHBondContact CB-OD2 3.2Å; S244-D247 PolarHBondContact O-N 3.38Å; S244-D247 VanDerWaalsContact OG-CG 3.23Å; S244-D247 PolarHBondContact OG-N 3.23Å; S244-D247 PolarHBondContact OG-OD1 3.26Å; S244-D247 PolarHBondContact OG-OD2 2.79Å; S244-H248 WeakPolarHBondContact O-CB 3.37Å; S244-H248 PolarHBondContact O-N 3.37Å
245	Y	98.6	Very high	97.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-54.2	-43.9	169.6	170.3	-86.4	0	0	0	111.4	Y127 F203 R204 P206 T209 F235 G243 H248 A249 L349	Y127-Y245 AromaticContact CD1-CD2 3.67Å; Y127-Y245 HydrophobicContact CD1-CD2 3.67Å; Y127-Y245 HydrophobicContact CE1-CD2 4.05Å; Y127-Y245 AromaticContact CG-CD2 4Å; Y127-Y245 HydrophobicContact CG-CD2 4Å; F203-Y245 HydrophobicContact CD1-CE2 4.18Å; R204-Y245 PolarHBondContact O-OH 3.5Å; P206-Y245 HydrophobicContact CB-CD1 3.97Å; P206-Y245 HydrophobicContact CB-CE1 3.62Å; P206-Y245 HydrophobicContact CB-CE2 4.47Å; P206-Y245 HydrophobicContact CG-CE1 4.26Å; T209-Y245 HydrophobicContact CG2-CD2 4.1Å; T209-Y245 HydrophobicContact CG2-CE2 4.25Å; F235-Y245 HydrophobicContact CZ-CD2 4.34Å; F235-Y245 HydrophobicContact CZ-CG 4.01Å; G243-Y245 PolarHBondContact O-N 3.42Å; Y245-H248 PolarHBondContact O-N 2.9Å; Y245-A249 HydrophobicContact CE1-CB 4.29Å; Y245-A249 VanDerWaalsContact O-CB 3.25Å; Y245-A249 WeakPolarHBondContact O-CB 3.4Å; Y245-A249 PolarHBondContact O-N 2.93Å; Y245-L349 HydrophobicContact CE1-CD1 4.14Å
246	F	98.6	Very high	97.7	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-70.6	-35.6	-175.3	-66.3	-75.8	0	0	0	112.4	M236 S244 A249 L250 M341 A344 F345 K348 L349	M236-F246 HydrophobicContact CE-CE2 4.37Å; S244-F246 PolarHBondContact O-N 3.47Å; S244-F246 PolarHBondContact OG-N 3.23Å; F246-A249 PolarHBondContact O-N 3.04Å; F246-L250 WeakPolarHBondContact O-CB 3.38Å; F246-L250 VanDerWaalsContact O-CG 3.26Å; F246-L250 WeakPolarHBondContact O-CG 3.43Å; F246-L250 PolarHBondContact O-N 2.98Å; F246-M341 HydrophobicContact CE2-SD 4.18Å; F246-M341 HydrophobicContact CZ-SD 3.64Å; F246-A344 HydrophobicContact CE1-CB 4.46Å; F246-A344 HydrophobicContact CE2-CB 3.94Å; F246-A344 HydrophobicContact CZ-CB 3.71Å; F246-F345 HydrophobicContact CE1-CB 4.35Å; F246-K348 HydrophobicContact CB-CB 4.48Å; F246-K348 HydrophobicContact CB-CD 3.42Å; F246-K348 VanDerWaalsContact CB-CD 3.42Å; F246-K348 HydrophobicContact CD1-CB 4.13Å; F246-K348 HydrophobicContact CD1-CD 4.03Å; F246-K348 HydrophobicContact CD2-CD 4.15Å; F246-K348 HydrophobicContact CG-CD 3.62Å; F246-L349 HydrophobicContact CD1-CD1 3.8Å; F246-L349 HydrophobicContact CD1-CG 4.12Å; F246-L349 HydrophobicContact CE1-CD1 4.17Å
247	D	98.2	Very high	97.6	Very high	82 Å²	82	38.6 Å²	38.6	44%	0.439	19%	0.193	S	C	.	.	H	α-helix	trans	-71.5	-40.6	178.8	-56	-5.4	0	0	0	109.3	S244 A249 L250 A251 K348	S244-D247 VanDerWaalsContact CB-CG 3.41Å; S244-D247 VanDerWaalsContact CB-OD2 3.23Å; S244-D247 WeakPolarHBondContact CB-OD2 3.2Å; S244-D247 PolarHBondContact O-N 3.38Å; S244-D247 VanDerWaalsContact OG-CG 3.23Å; S244-D247 PolarHBondContact OG-N 3.23Å; S244-D247 PolarHBondContact OG-OD1 3.26Å; S244-D247 PolarHBondContact OG-OD2 2.79Å; D247-A249 PolarHBondContact O-N 3.15Å; D247-L250 PolarHBondContact O-N 3.11Å; D247-A251 WeakPolarHBondContact O-CB 2.87Å; D247-A251 PolarHBondContact O-N 3.3Å; D247-K348 IonicContact OD1-NZ 2.72Å
248	H	98.1	Very high	97.6	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.009	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-46.9	171.7	-166.4	-87.4	0	0	0	112	Y127 L183 F203 S244 Y245 A251 W252	Y127-H248 HydrophobicContact CD2-CB 3.84Å; Y127-H248 AromaticContact CD2-CG 3.84Å; Y127-H248 HydrophobicContact CE2-CB 4.47Å; L183-H248 PolarHBondContact O-NE2 3.31Å; F203-H248 AromaticContact CE1-ND1 3.86Å; F203-H248 AromaticContact CZ-ND1 3.58Å; S244-H248 WeakPolarHBondContact O-CB 3.37Å; S244-H248 PolarHBondContact O-N 3.37Å; Y245-H248 PolarHBondContact O-N 2.9Å; H248-A251 PolarHBondContact O-N 3.16Å; H248-W252 AromaticContact CE1-CD1 3.28Å; H248-W252 AromaticContact CE1-NE1 3.24Å; H248-W252 PolarHBondContact CE1-NE1 3.32Å; H248-W252 AromaticContact ND1-CD1 3.45Å; H248-W252 AromaticContact ND1-NE1 3.88Å; H248-W252 AromaticContact NE2-CD1 3.87Å; H248-W252 AromaticContact NE2-NE1 3.51Å; H248-W252 PolarHBondContact O-N 3.2Å
249	A	98.6	Very high	97.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.3	-45.8	175.9	0	0	0	0	0	112.2	F203 Y245 F246 D247 W252 N253 L349 L354	F203-A249 HydrophobicContact CD1-CB 4.47Å; F203-A249 HydrophobicContact CE1-CB 3.75Å; F203-A249 HydrophobicContact CZ-CB 4.19Å; Y245-A249 HydrophobicContact CE1-CB 4.29Å; Y245-A249 VanDerWaalsContact O-CB 3.25Å; Y245-A249 WeakPolarHBondContact O-CB 3.4Å; Y245-A249 PolarHBondContact O-N 2.93Å; F246-A249 PolarHBondContact O-N 3.04Å; D247-A249 PolarHBondContact O-N 3.15Å; A249-W252 PolarHBondContact O-N 3.35Å; A249-N253 VanDerWaalsContact O-CB 3.25Å; A249-N253 WeakPolarHBondContact O-CB 3.2Å; A249-N253 PolarHBondContact O-N 3.01Å; A249-L349 HydrophobicContact CB-CD1 3.98Å; A249-L349 HydrophobicContact CB-CD2 3.9Å; A249-L354 HydrophobicContact CB-CD2 3.63Å; A249-L354 WeakPolarHBondContact O-CD2 3.26Å
250	L	98.6	Very high	97.7	Very high	53 Å²	53	37.3 Å²	37.3	28%	0.277	20%	0.196	S	C	.	.	H	α-helix	trans	-64	-42.7	178.6	-80	170.4	0	0	0	112.4	F246 D247 N253 Q254 K348 L349 T352	F246-L250 WeakPolarHBondContact O-CB 3.38Å; F246-L250 VanDerWaalsContact O-CG 3.26Å; F246-L250 WeakPolarHBondContact O-CG 3.43Å; F246-L250 PolarHBondContact O-N 2.98Å; D247-L250 PolarHBondContact O-N 3.11Å; L250-N253 WeakPolarHBondContact O-CB 3.31Å; L250-N253 PolarHBondContact O-N 3.26Å; L250-Q254 WeakPolarHBondContact O-CG 3.44Å; L250-Q254 PolarHBondContact O-N 2.99Å; L250-Q254 VanDerWaalsContact O-N 3.14Å; L250-K348 HydrophobicContact CD1-CB 4.46Å; L250-K348 WeakPolarHBondContact CD2-O 3.26Å; L250-L349 HydrophobicContact CD2-CD2 4.02Å; L250-L349 HydrophobicContact CG-CD2 4.05Å; L250-T352 HydrophobicContact CD2-CG2 4.44Å
251	A	98.1	Very high	97.8	Very high	6 Å²	6	38 Å²	38	5%	0.05	20%	0.201	C	C	.	.	H	α-helix	trans	-65.7	-40.9	179	0	0	0	0	0	112.1	H184 P185 D247 H248 Q254	H184-A251 WeakPolarHBondContact CE1-CB 3.32Å; H184-A251 WeakPolarHBondContact NE2-CB 3.47Å; P185-A251 HydrophobicContact CG-CB 3.62Å; D247-A251 WeakPolarHBondContact O-CB 2.87Å; D247-A251 PolarHBondContact O-N 3.3Å; H248-A251 PolarHBondContact O-N 3.16Å; A251-Q254 PolarHBondContact O-N 3.25Å
252	W	98.1	Very high	97.9	Very high	6 Å²	6	38.8 Å²	38.8	2%	0.023	20%	0.204	C	C	.	.	H	α-helix	trans	-71.4	-34.2	173.9	-80.6	110.1	0	0	0	113.1	V125 P185 M188 T199 V201 F203 H248 A249 Q254 R255 M256 V261	V125-W252 HydrophobicContact CB-CZ2 4.01Å; V125-W252 HydrophobicContact CG1-CZ2 3.66Å; V125-W252 HydrophobicContact CG2-CH2 4.03Å; V125-W252 HydrophobicContact CG2-CZ2 3.7Å; P185-W252 HydrophobicContact CB-CD2 4.34Å; P185-W252 HydrophobicContact CB-CH2 4.06Å; P185-W252 HydrophobicContact CB-CZ2 3.68Å; P185-W252 HydrophobicContact CG-CD2 4.28Å; P185-W252 HydrophobicContact CG-CG 4.47Å; P185-W252 HydrophobicContact CG-CZ2 4.35Å; M188-W252 HydrophobicContact SD-CH2 4.21Å; M188-W252 HydrophobicContact SD-CZ2 3.88Å; T199-W252 HydrophobicContact CG2-CH2 3.74Å; T199-W252 HydrophobicContact CG2-CZ3 4.12Å; V201-W252 HydrophobicContact CB-CD2 4.46Å; V201-W252 HydrophobicContact CB-CE3 4.49Å; V201-W252 HydrophobicContact CG1-CB 4.44Å; V201-W252 HydrophobicContact CG1-CD2 3.88Å; V201-W252 HydrophobicContact CG1-CE3 4.39Å; V201-W252 HydrophobicContact CG1-CG 3.88Å; V201-W252 HydrophobicContact CG2-CD2 3.78Å; V201-W252 HydrophobicContact CG2-CE3 3.47Å; V201-W252 VanDerWaalsContact CG2-CE3 3.47Å; V201-W252 HydrophobicContact CG2-CH2 3.93Å; V201-W252 HydrophobicContact CG2-CZ2 4.21Å; V201-W252 HydrophobicContact CG2-CZ3 3.54Å; F203-W252 HydrophobicContact CE2-CB 3.72Å; F203-W252 HydrophobicContact CE2-CG 4.12Å; F203-W252 HydrophobicContact CZ-CB 3.92Å; F203-W252 AromaticContact CZ-CD1 3.96Å; F203-W252 HydrophobicContact CZ-CG 4.22Å; H248-W252 AromaticContact CE1-CD1 3.28Å; H248-W252 AromaticContact CE1-NE1 3.24Å; H248-W252 PolarHBondContact CE1-NE1 3.32Å; H248-W252 AromaticContact ND1-CD1 3.45Å; H248-W252 AromaticContact ND1-NE1 3.88Å; H248-W252 AromaticContact NE2-CD1 3.87Å; H248-W252 AromaticContact NE2-NE1 3.51Å; H248-W252 PolarHBondContact O-N 3.2Å; A249-W252 PolarHBondContact O-N 3.35Å; W252-Q254 PolarHBondContact O-N 2.68Å; W252-R255 HydrophobicContact CE3-CB 4.22Å; W252-R255 CarbonylContact O-C 3.59Å; W252-R255 PolarHBondContact O-N 2.96Å; W252-M256 WeakPolarHBondContact O-CG 3.31Å; W252-M256 PolarHBondContact O-N 3.13Å; W252-V261 HydrophobicContact CE3-CG1 4.08Å; W252-V261 HydrophobicContact CZ3-CG1 4.06Å; W252-V261 HydrophobicContact CZ3-CG2 4.03Å
253	N	98.4	Very high	98	Very high	26 Å²	26	38.9 Å²	38.9	14%	0.139	21%	0.205	C	C	.	.	H	α-helix	trans	-57.3	-38.9	173.3	174.4	80.1	0	0	0	111.8	A249 L250 R255 M256 T352 K353 L354	A249-N253 VanDerWaalsContact O-CB 3.25Å; A249-N253 WeakPolarHBondContact O-CB 3.2Å; A249-N253 PolarHBondContact O-N 3.01Å; L250-N253 WeakPolarHBondContact O-CB 3.31Å; L250-N253 PolarHBondContact O-N 3.26Å; N253-R255 PolarHBondContact O-N 3.02Å; N253-M256 WeakPolarHBondContact O-CB 3.42Å; N253-M256 PolarHBondContact O-N 2.72Å; N253-T352 WeakPolarHBondContact OD1-CB 3.38Å; N253-K353 PolarHBondContact OD1-N 2.77Å; N253-L354 HydrophobicContact CB-CB 3.84Å; N253-L354 HydrophobicContact CB-CD2 4.43Å; N253-L354 PolarHBondContact OD1-N 2.98Å
254	Q	97.9	Very high	98.1	Very high	149 Å²	149	38.8 Å²	38.8	70%	0.696	20%	0.204	S	C	*	.	H	α-helix	trans	-65.1	-22.3	176.3	-68.9	171.5	4.6	0	0	113.3	L250 A251 W252	L250-Q254 WeakPolarHBondContact O-CG 3.44Å; L250-Q254 PolarHBondContact O-N 2.99Å; L250-Q254 VanDerWaalsContact O-N 3.14Å; A251-Q254 PolarHBondContact O-N 3.25Å; W252-Q254 PolarHBondContact O-N 2.68Å
255	R	97.3	Very high	98.1	Very high	73 Å²	73	38.2 Å²	38.2	28%	0.275	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	1.3	-177.9	-61.8	176.6	-179.6	-127.2	11.2	113.1	P185 D186 W252 N253 D257 D258 V261	P185-R255 PolarHBondContact O-NH2 3.08Å; D186-R255 IonicContact OD1-CZ 3.94Å; D186-R255 IonicContact OD1-NH2 3.31Å; D186-R255 PolarHBondContact OD1-NH2 2.68Å; W252-R255 HydrophobicContact CE3-CB 4.22Å; W252-R255 CarbonylContact O-C 3.59Å; W252-R255 PolarHBondContact O-N 2.96Å; N253-R255 PolarHBondContact O-N 3.02Å; R255-D257 PolarHBondContact O-N 2.93Å; R255-D258 VanDerWaalsContact O-CB 3.31Å; R255-D258 WeakPolarHBondContact O-CB 3.46Å; R255-D258 PolarHBondContact O-N 3.17Å; R255-V261 HydrophobicContact CB-CG2 4.42Å; R255-V261 WeakPolarHBondContact O-CB 3.44Å
256	M	97.1	Very high	98	Very high	44 Å²	44	38.7 Å²	38.7	22%	0.217	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.9	-178.2	-75	-175.8	68.6	0	0	114.5	W252 N253 V263 K353 L354 K357	W252-M256 WeakPolarHBondContact O-CG 3.31Å; W252-M256 PolarHBondContact O-N 3.13Å; N253-M256 WeakPolarHBondContact O-CB 3.42Å; N253-M256 PolarHBondContact O-N 2.72Å; M256-V263 HydrophobicContact CE-CB 4.14Å; M256-V263 HydrophobicContact CE-CG2 4.24Å; M256-V263 HydrophobicContact CG-CG2 3.63Å; M256-V263 HydrophobicContact SD-CG2 4.17Å; M256-K353 HydrophobicContact CE-CB 3.94Å; M256-K353 HydrophobicContact SD-CB 3.79Å; M256-L354 HydrophobicContact SD-CB 3.79Å; M256-K357 HydrophobicContact CE-CD 4.44Å
257	D	97	Very high	98	Very high	118 Å²	118	38.9 Å²	38.9	63%	0.631	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-6.7	175.9	-68.7	-43.3	0	0	0	113.2	R255 K353	R255-D257 PolarHBondContact O-N 2.93Å; D257-K353 IonicContact OD1-NZ 2.57Å; D257-K353 PolarHBondContact OD1-NZ 3.12Å; D257-K353 IonicContact OD2-NZ 2.66Å; D257-K353 PolarHBondContact OD2-NZ 2.85Å
258	D	97.6	Very high	97.9	Very high	69 Å²	69	37.8 Å²	37.8	37%	0.369	20%	0.197	S	C	.	.	S	Bend	trans	-71.8	124.2	173.9	-171.2	-31.3	0	0	0	109.6	R255 N260 V261	R255-D258 VanDerWaalsContact O-CB 3.31Å; R255-D258 WeakPolarHBondContact O-CB 3.46Å; R255-D258 PolarHBondContact O-N 3.17Å; D258-N260 PolarHBondContact O-N 2.84Å; D258-N260 WeakPolarHBondContact OD1-CB 3.27Å; D258-N260 PolarHBondContact OD1-N 2.93Å; D258-N260 PolarHBondContact OD1-ND2 3.16Å; D258-V261 HydrophobicContact CB-CB 4.23Å; D258-V261 HydrophobicContact CB-CG2 3.93Å; D258-V261 PolarHBondContact O-N 2.81Å
259	P	97.7	Very high	97.7	Very high	100 Å²	100	37.9 Å²	37.9	65%	0.649	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-5.3	177.8	28.8	-37.5	0	0	0	114.3	K198 F283	K198-P259 PolarHBondContact NZ-O 3.18Å; K198-P259 VanDerWaalsContact NZ-O 3.08Å; P259-F283 WeakPolarHBondContact O-CE2 3.38Å
260	N	98.1	Very high	97.5	Very high	23 Å²	23	42.3 Å²	42.3	12%	0.123	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	9.8	174.7	-47.8	-64.8	0	0	0	112.5	K196 K198 T199 D258 F283	K196-N260 PolarHBondContact O-OD1 3.43Å; K198-N260 HydrophobicContact CD-CB 4.38Å; K198-N260 PolarHBondContact NZ-OD1 3.35Å; T199-N260 PolarHBondContact N-O 3.49Å; D258-N260 PolarHBondContact O-N 2.84Å; D258-N260 WeakPolarHBondContact OD1-CB 3.27Å; D258-N260 PolarHBondContact OD1-N 2.93Å; D258-N260 PolarHBondContact OD1-ND2 3.16Å; N260-F283 VanDerWaalsContact C-CZ 3.47Å; N260-F283 WeakPolarHBondContact O-CZ 3.43Å
261	V	98.5	Very high	97.3	Very high	18 Å²	18	45.6 Å²	45.6	11%	0.109	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122.1	172.5	177.4	0	0	0	0	109.6	T199 V201 W252 R255 D258 V263	T199-V261 WeakPolarHBondContact O-CA 3.25Å; V201-V261 HydrophobicContact CG2-CG1 3.97Å; W252-V261 HydrophobicContact CE3-CG1 4.08Å; W252-V261 HydrophobicContact CZ3-CG1 4.06Å; W252-V261 HydrophobicContact CZ3-CG2 4.03Å; R255-V261 HydrophobicContact CB-CG2 4.42Å; R255-V261 WeakPolarHBondContact O-CB 3.44Å; D258-V261 HydrophobicContact CB-CB 4.23Å; D258-V261 HydrophobicContact CB-CG2 3.93Å; D258-V261 PolarHBondContact O-N 2.81Å; V261-V263 HydrophobicContact CG1-CG2 4.23Å
262	L	98.6	Very high	97.1	Very high	19 Å²	19	49.3 Å²	49.3	10%	0.099	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	116.1	169.4	173.9	65.4	0	0	0	108.7	T199 V200 V201 V264 Q279 I280 F283	T199-L262 PolarHBondContact O-N 2.88Å; V200-L262 CarbonylContact C-O 3.24Å; V200-L262 WeakPolarHBondContact CA-O 3.38Å; V201-L262 PolarHBondContact N-O 3.41Å; L262-V264 HydrophobicContact CD1-CG1 4.5Å; L262-V264 HydrophobicContact CD2-CG1 4.11Å; L262-V264 HydrophobicContact CG-CG1 4.06Å; L262-Q279 HydrophobicContact CD1-CG 4.18Å; L262-Q279 HydrophobicContact CD2-CG 4.25Å; L262-I280 HydrophobicContact CD2-CG1 3.9Å; L262-F283 HydrophobicContact CB-CB 4.39Å; L262-F283 HydrophobicContact CB-CD1 3.49Å; L262-F283 VanDerWaalsContact CB-CD1 3.49Å; L262-F283 HydrophobicContact CB-CD2 3.69Å; L262-F283 HydrophobicContact CB-CE1 3.49Å; L262-F283 VanDerWaalsContact CB-CE1 3.49Å; L262-F283 HydrophobicContact CB-CE2 3.67Å; L262-F283 HydrophobicContact CB-CG 3.58Å; L262-F283 HydrophobicContact CB-CZ 3.56Å; L262-F283 HydrophobicContact CD2-CB 3.73Å; L262-F283 HydrophobicContact CD2-CD1 3.79Å; L262-F283 HydrophobicContact CD2-CG 3.79Å; L262-F283 HydrophobicContact CG-CD1 4.27Å; L262-F283 HydrophobicContact CG-CG 4.22Å; L262-F283 VanDerWaalsContact N-CZ 3.3Å
263	V	98.6	Very high	97	Very high	10 Å²	10	50 Å²	50	6%	0.061	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	130	169.8	-178.7	0	0	0	0	109.9	V201 F203 M256 V261 L354 K357	V201-V263 HydrophobicContact CB-CG2 4.22Å; V201-V263 CarbonylContact O-C 3.59Å; V201-V263 WeakPolarHBondContact O-CA 3.43Å; F203-V263 HydrophobicContact CD2-CG1 4.03Å; M256-V263 HydrophobicContact CE-CB 4.14Å; M256-V263 HydrophobicContact CE-CG2 4.24Å; M256-V263 HydrophobicContact CG-CG2 3.63Å; M256-V263 HydrophobicContact SD-CG2 4.17Å; V261-V263 HydrophobicContact CG1-CG2 4.23Å; V263-L354 HydrophobicContact CG1-CD1 3.86Å; V263-K357 HydrophobicContact CG1-CD 4.28Å; V263-K357 WeakPolarHBondContact O-CE 3.27Å
264	V	98.3	Very high	96.9	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.012	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	156	170.7	-64.7	0	0	0	0	109.7	V200 V201 V202 F203 L262 L269 I280	V200-V264 HydrophobicContact CG1-CG2 4.06Å; V201-V264 PolarHBondContact O-N 3.35Å; V202-V264 WeakPolarHBondContact CA-O 2.78Å; V202-V264 HydrophobicContact CB-CG2 4.37Å; V202-V264 HydrophobicContact CG1-CG2 4.33Å; V202-V264 HydrophobicContact CG2-CG2 3.93Å; F203-V264 PolarHBondContact N-O 3.21Å; L262-V264 HydrophobicContact CD1-CG1 4.5Å; L262-V264 HydrophobicContact CD2-CG1 4.11Å; L262-V264 HydrophobicContact CG-CG1 4.06Å; V264-L269 HydrophobicContact CB-CD1 4.22Å; V264-L269 HydrophobicContact CB-CG 4.43Å; V264-L269 HydrophobicContact CG2-CD1 3.89Å; V264-I280 HydrophobicContact CG1-CG1 4.41Å
265	T	98.1	Very high	96.9	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	145.9	175.5	59.6	0	0	0	0	110.7	F203 E267 D268 L269 K357 L358	F203-T265 CarbonylContact O-C 3.6Å; F203-T265 VanDerWaalsContact O-CA 3.22Å; F203-T265 WeakPolarHBondContact O-CA 3.24Å; T265-E267 PolarHBondContact O-N 2.97Å; T265-D268 PolarHBondContact O-N 3.29Å; T265-D268 VanDerWaalsContact OG1-CB 3.27Å; T265-D268 WeakPolarHBondContact OG1-CB 3.34Å; T265-D268 PolarHBondContact OG1-N 2.94Å; T265-D268 PolarHBondContact OG1-OD2 2.82Å; T265-D268 VanDerWaalsContact OG1-OD2 3.06Å; T265-L269 WeakPolarHBondContact O-CB 3.43Å; T265-L269 VanDerWaalsContact O-CG 3.24Å; T265-L269 WeakPolarHBondContact O-CG 3.47Å; T265-L269 PolarHBondContact O-N 3.25Å; T265-L269 VanDerWaalsContact O-N 3.09Å; T265-K357 HydrophobicContact CG2-CD 4.47Å; T265-K357 HydrophobicContact CG2-CG 3.88Å; T265-L358 HydrophobicContact CG2-CD2 4.16Å
266	F	97	Very high	96.9	Very high	11 Å²	11	41.2 Å²	41.2	5%	0.048	23%	0.225	C	C	.	.	H	α-helix	trans	-56.4	-38.4	174.9	178.1	-89.8	0	0	0	111	W134 F203 R204 K270 V326	W134-F266 HydrophobicContact CD2-CE2 4.47Å; W134-F266 AromaticContact CE3-CD2 3.61Å; W134-F266 HydrophobicContact CE3-CD2 3.61Å; W134-F266 AromaticContact CE3-CE2 3.46Å; W134-F266 HydrophobicContact CE3-CE2 3.46Å; W134-F266 VanDerWaalsContact CE3-CE2 3.46Å; W134-F266 HydrophobicContact CE3-CZ 4.46Å; W134-F266 AromaticContact CZ3-CD2 3.64Å; W134-F266 HydrophobicContact CZ3-CD2 3.64Å; W134-F266 AromaticContact CZ3-CE2 3.63Å; W134-F266 HydrophobicContact CZ3-CE2 3.63Å; W134-F266 HydrophobicContact CZ3-CG 4.35Å; W134-F266 HydrophobicContact CZ3-CZ 4.35Å; F203-F266 PolarHBondContact O-N 3.02Å; R204-F266 HydrophobicContact CB-CB 3.81Å; R204-F266 HydrophobicContact CG-CB 3.82Å; R204-F266 HydrophobicContact CG-CD1 4.19Å; R204-F266 HydrophobicContact CG-CG 4.14Å; F266-K270 HydrophobicContact CE1-CB 4.39Å; F266-K270 WeakPolarHBondContact O-CB 3.38Å; F266-K270 PolarHBondContact O-N 2.82Å; F266-V326 HydrophobicContact CD1-CG2 4.16Å; F266-V326 HydrophobicContact CE1-CG2 4.06Å
267	E	97.2	Very high	96.9	Very high	5 Å²	5	39.1 Å²	39.1	2%	0.023	22%	0.215	C	C	.	.	H	α-helix	trans	-64.4	-48.8	180	-63.8	76.1	-168.7	0	0	111.9	R204 N205 T265 K270 Q271 V326	R204-E267 VanDerWaalsContact CG-OE1 3.25Å; R204-E267 WeakPolarHBondContact CG-OE1 3.39Å; N205-E267 WeakPolarHBondContact CB-OE1 3.49Å; N205-E267 PolarHBondContact N-OE1 2.9Å; N205-E267 PolarHBondContact ND2-OE1 2.72Å; T265-E267 PolarHBondContact O-N 2.97Å; E267-K270 PolarHBondContact O-N 3.08Å; E267-Q271 WeakPolarHBondContact O-CB 3.45Å; E267-Q271 PolarHBondContact O-N 2.84Å; E267-V326 HydrophobicContact CG-CG1 3.99Å; E267-V326 HydrophobicContact CG-CG2 3.96Å
268	D	96	Very high	97	Very high	58 Å²	58	37.6 Å²	37.6	31%	0.31	20%	0.204	S	C	.	.	H	α-helix	trans	-60.7	-48.2	176.9	-73.1	-14.5	0	0	0	110.5	T265 K270 Q271 D272 K357	T265-D268 PolarHBondContact O-N 3.29Å; T265-D268 VanDerWaalsContact OG1-CB 3.27Å; T265-D268 WeakPolarHBondContact OG1-CB 3.34Å; T265-D268 PolarHBondContact OG1-N 2.94Å; T265-D268 PolarHBondContact OG1-OD2 2.82Å; T265-D268 VanDerWaalsContact OG1-OD2 3.06Å; D268-K270 VanDerWaalsContact C-N 3.25Å; D268-K270 PolarHBondContact O-N 3.18Å; D268-Q271 PolarHBondContact O-N 3.26Å; D268-D272 PolarHBondContact O-N 2.84Å; D268-K357 IonicContact OD2-NZ 2.74Å; D268-K357 PolarHBondContact OD2-NZ 3.28Å
269	L	95.4	Very high	97	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-62.9	-33.7	179.1	-67.5	169.4	0	0	0	112.1	W134 M135 V264 T265 D272 L273 I280	W134-L269 HydrophobicContact CH2-CB 3.63Å; W134-L269 HydrophobicContact CZ3-CB 3.74Å; W134-L269 HydrophobicContact CZ3-CD1 4.47Å; M135-L269 HydrophobicContact CE-CD1 4.35Å; M135-L269 HydrophobicContact CG-CD1 4.11Å; M135-L269 HydrophobicContact SD-CD1 3.42Å; M135-L269 WeakPolarHBondContact SD-CD1 3.36Å; M135-L269 HydrophobicContact SD-CD2 4.5Å; V264-L269 HydrophobicContact CB-CD1 4.22Å; V264-L269 HydrophobicContact CB-CG 4.43Å; V264-L269 HydrophobicContact CG2-CD1 3.89Å; T265-L269 WeakPolarHBondContact O-CB 3.43Å; T265-L269 VanDerWaalsContact O-CG 3.24Å; T265-L269 WeakPolarHBondContact O-CG 3.47Å; T265-L269 PolarHBondContact O-N 3.25Å; T265-L269 VanDerWaalsContact O-N 3.09Å; L269-D272 CarbonylContact O-C 3.54Å; L269-L273 HydrophobicContact CD2-CD1 4.4Å; L269-L273 VanDerWaalsContact O-CA 3.3Å; L269-L273 WeakPolarHBondContact O-CA 3.43Å; L269-L273 WeakPolarHBondContact O-CB 3.46Å; L269-L273 PolarHBondContact O-N 3.26Å; L269-I280 HydrophobicContact CD2-CD1 4.45Å
270	K	93.2	Very high	97	Very high	93 Å²	93	33.9 Å²	33.9	40%	0.404	18%	0.176	S	C	.	.	H	α-helix	trans	-74.3	-33.2	178.7	-177.7	61.6	175.2	175	0	111.2	W134 F266 E267 D268 G324 V326	W134-K270 HydrophobicContact CH2-CB 4.33Å; F266-K270 HydrophobicContact CE1-CB 4.39Å; F266-K270 WeakPolarHBondContact O-CB 3.38Å; F266-K270 PolarHBondContact O-N 2.82Å; E267-K270 PolarHBondContact O-N 3.08Å; D268-K270 VanDerWaalsContact C-N 3.25Å; D268-K270 PolarHBondContact O-N 3.18Å; K270-G324 WeakPolarHBondContact CE-O 3.29Å; K270-G324 PolarHBondContact NZ-O 3.11Å; K270-V326 HydrophobicContact CG-CG2 4.48Å
271	Q	94.3	Very high	97	Very high	123 Å²	123	33 Å²	33	58%	0.575	17%	0.172	S	C	*	.	H	α-helix	trans	-72.4	-47.2	176.3	-178.7	176.4	-29.5	0	0	111.5	E267 D268	E267-Q271 WeakPolarHBondContact O-CB 3.45Å; E267-Q271 PolarHBondContact O-N 2.84Å; D268-Q271 PolarHBondContact O-N 3.26Å
272	D	95.5	Very high	96.9	Very high	83 Å²	83	36.9 Å²	36.9	44%	0.444	20%	0.199	S	C	.	.			trans	-145.4	91.6	178.9	-169	-19.8	0	0	0	111.3	D268 L269 S274 A275 G276	D268-D272 PolarHBondContact O-N 2.84Å; L269-D272 CarbonylContact O-C 3.54Å; D272-S274 VanDerWaalsContact C-N 3.32Å; D272-S274 PolarHBondContact O-N 3.36Å; D272-S274 PolarHBondContact OD1-N 3.01Å; D272-S274 VanDerWaalsContact OD1-N 3.15Å; D272-A275 HydrophobicContact CB-CB 4.13Å; D272-A275 PolarHBondContact OD1-N 3.25Å; D272-G276 PolarHBondContact O-N 2.73Å
273	L	95.4	Very high	96.9	Very high	22 Å²	22	37.5 Å²	37.5	12%	0.115	20%	0.201	C	C	.	.	H	α-helix	trans	-68.8	-32.4	-179.4	-175.9	58	0	0	0	112.2	W134 V138 L269 G276 I277 A297	W134-L273 HydrophobicContact CH2-CD1 4.38Å; W134-L273 HydrophobicContact CZ2-CD1 3.89Å; W134-L273 HydrophobicContact CZ2-CD2 4.1Å; V138-L273 HydrophobicContact CG1-CD1 4.49Å; V138-L273 HydrophobicContact CG2-CD1 4.16Å; L269-L273 HydrophobicContact CD2-CD1 4.4Å; L269-L273 VanDerWaalsContact O-CA 3.3Å; L269-L273 WeakPolarHBondContact O-CA 3.43Å; L269-L273 WeakPolarHBondContact O-CB 3.46Å; L269-L273 PolarHBondContact O-N 3.26Å; L273-G276 PolarHBondContact O-N 3.45Å; L273-I277 HydrophobicContact CD1-CD1 4.32Å; L273-I277 HydrophobicContact CD1-CG1 4.29Å; L273-I277 HydrophobicContact CD2-CD1 4.45Å; L273-I277 HydrophobicContact CG-CD1 3.84Å; L273-I277 HydrophobicContact CG-CG1 4.31Å; L273-I277 WeakPolarHBondContact O-CB 3.47Å; L273-I277 WeakPolarHBondContact O-CD1 3.33Å; L273-I277 VanDerWaalsContact O-CG1 3.25Å; L273-I277 WeakPolarHBondContact O-CG1 3.48Å; L273-I277 PolarHBondContact O-N 3.18Å; L273-A297 HydrophobicContact CB-CB 4.48Å; L273-A297 HydrophobicContact CD2-CB 4.24Å; L273-A297 HydrophobicContact CG-CB 4.27Å
274	S	96.8	Very high	96.7	Very high	15 Å²	15	37.8 Å²	37.8	11%	0.105	20%	0.202	C	C	.	.	H	α-helix	trans	-67.6	-45.2	-178.3	-66.4	0	0	0	0	110.8	D272 G276 I277 Q278 V293 Q294 A297	D272-S274 VanDerWaalsContact C-N 3.32Å; D272-S274 PolarHBondContact O-N 3.36Å; D272-S274 PolarHBondContact OD1-N 3.01Å; D272-S274 VanDerWaalsContact OD1-N 3.15Å; S274-G276 VanDerWaalsContact C-N 3.32Å; S274-G276 PolarHBondContact O-N 2.97Å; S274-I277 PolarHBondContact O-N 3.19Å; S274-Q278 WeakPolarHBondContact O-CG 3.48Å; S274-Q278 PolarHBondContact O-N 3.43Å; S274-V293 WeakPolarHBondContact O-CG1 3.24Å; S274-Q294 PolarHBondContact OG-NE2 2.86Å; S274-Q294 PolarHBondContact OG-OE1 3.31Å; S274-A297 WeakPolarHBondContact OG-CB 3.1Å
275	A	96.9	Very high	96.6	Very high	42 Å²	42	40.6 Å²	40.6	35%	0.347	23%	0.232	S	C	.	.	H	α-helix	trans	-60.5	-42.1	172.7	0	0	0	0	0	111.7	D272 I277 Q278 Q279	D272-A275 HydrophobicContact CB-CB 4.13Å; D272-A275 PolarHBondContact OD1-N 3.25Å; A275-I277 PolarHBondContact O-N 3.18Å; A275-Q278 PolarHBondContact O-N 3.47Å; A275-Q279 PolarHBondContact O-N 3.09Å
276	G	97.3	Very high	96.4	Very high	6 Å²	6	42.4 Å²	42.4	6%	0.062	24%	0.24	C	C	.	.	H	α-helix	trans	-60.5	-43.4	174.9	0	0	0	0	0	113.5	D272 L273 S274 Q279 I280	D272-G276 PolarHBondContact O-N 2.73Å; L273-G276 PolarHBondContact O-N 3.45Å; S274-G276 VanDerWaalsContact C-N 3.32Å; S274-G276 PolarHBondContact O-N 2.97Å; G276-Q279 PolarHBondContact O-N 3.01Å; G276-I280 WeakPolarHBondContact O-CB 3.42Å; G276-I280 WeakPolarHBondContact O-CD1 3.39Å; G276-I280 VanDerWaalsContact O-CG1 3.25Å; G276-I280 WeakPolarHBondContact O-CG1 3.23Å; G276-I280 PolarHBondContact O-N 3.14Å
277	I	97.8	Very high	96.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.7	-45.8	175.8	-73	161.3	0	0	0	110.4	V138 I142 L273 S274 A275 Q279 I280 C281 L288 V293 V296 A297	V138-I277 HydrophobicContact CG1-CD1 4.45Å; V138-I277 HydrophobicContact CG1-CG1 3.87Å; I142-I277 HydrophobicContact CD1-CB 4.39Å; I142-I277 HydrophobicContact CD1-CG1 4.23Å; I142-I277 HydrophobicContact CD1-CG2 3.93Å; I142-I277 HydrophobicContact CG1-CG2 4.03Å; L273-I277 HydrophobicContact CD1-CD1 4.32Å; L273-I277 HydrophobicContact CD1-CG1 4.29Å; L273-I277 HydrophobicContact CD2-CD1 4.45Å; L273-I277 HydrophobicContact CG-CD1 3.84Å; L273-I277 HydrophobicContact CG-CG1 4.31Å; L273-I277 WeakPolarHBondContact O-CB 3.47Å; L273-I277 WeakPolarHBondContact O-CD1 3.33Å; L273-I277 VanDerWaalsContact O-CG1 3.25Å; L273-I277 WeakPolarHBondContact O-CG1 3.48Å; L273-I277 PolarHBondContact O-N 3.18Å; S274-I277 PolarHBondContact O-N 3.19Å; A275-I277 PolarHBondContact O-N 3.18Å; I277-Q279 PolarHBondContact O-N 3.31Å; I277-I280 PolarHBondContact O-N 2.89Å; I277-C281 WeakPolarHBondContact O-CB 3.17Å; I277-C281 PolarHBondContact O-N 2.86Å; I277-C281 PolarHBondContact O-SG 3.35Å; I277-L288 HydrophobicContact CG2-CD1 4.4Å; I277-V293 HydrophobicContact CB-CG1 4.19Å; I277-V293 HydrophobicContact CG2-CB 4.41Å; I277-V293 HydrophobicContact CG2-CG1 4.02Å; I277-V293 HydrophobicContact CG2-CG2 4.12Å; I277-V296 HydrophobicContact CD1-CB 4.1Å; I277-V296 HydrophobicContact CD1-CG1 3.71Å; I277-V296 HydrophobicContact CG1-CG1 4.37Å; I277-A297 HydrophobicContact CD1-CB 3.81Å
278	Q	97.8	Very high	96.2	Very high	86 Å²	86	48.4 Å²	48.4	40%	0.402	28%	0.281	S	S	.	.	H	α-helix	trans	-59.6	-46.2	177.7	-71.9	171.8	-10	0	0	111.5	S274 A275 I280 C281 S282 E290 V293	S274-Q278 WeakPolarHBondContact O-CG 3.48Å; S274-Q278 PolarHBondContact O-N 3.43Å; A275-Q278 PolarHBondContact O-N 3.47Å; Q278-I280 PolarHBondContact O-N 2.64Å; Q278-C281 PolarHBondContact O-N 3.49Å; Q278-S282 WeakPolarHBondContact O-CB 3.47Å; Q278-S282 PolarHBondContact O-N 2.83Å; Q278-E290 PolarHBondContact NE2-OE2 3.45Å; Q278-V293 HydrophobicContact CG-CG1 4.03Å; Q278-V293 HydrophobicContact CG-CG2 4Å
279	Q	98	Very high	96.2	Very high	90 Å²	90	49.5 Å²	49.5	42%	0.421	29%	0.29	S	S	.	.	H	α-helix	trans	-59.5	-45.9	177.3	-174.4	-179.5	18.3	0	0	111.6	L262 A275 G276 I277 F283	L262-Q279 HydrophobicContact CD1-CG 4.18Å; L262-Q279 HydrophobicContact CD2-CG 4.25Å; A275-Q279 PolarHBondContact O-N 3.09Å; G276-Q279 PolarHBondContact O-N 3.01Å; I277-Q279 PolarHBondContact O-N 3.31Å; Q279-F283 WeakPolarHBondContact O-CB 3.5Å; Q279-F283 PolarHBondContact O-N 3.14Å
280	I	98.3	Very high	96.2	Very high	1 Å²	1	54 Å²	54	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-65.2	-45.9	179.3	-70	166.2	0	0	0	110.9	M135 I142 V200 L262 V264 L269 G276 I277 Q278 S282 F283 I284	M135-I280 HydrophobicContact CE-CD1 3.35Å; I142-I280 HydrophobicContact CD1-CB 4.44Å; I142-I280 HydrophobicContact CD1-CG2 4.02Å; V200-I280 HydrophobicContact CG2-CG2 4.48Å; L262-I280 HydrophobicContact CD2-CG1 3.9Å; V264-I280 HydrophobicContact CG1-CG1 4.41Å; L269-I280 HydrophobicContact CD2-CD1 4.45Å; G276-I280 WeakPolarHBondContact O-CB 3.42Å; G276-I280 WeakPolarHBondContact O-CD1 3.39Å; G276-I280 VanDerWaalsContact O-CG1 3.25Å; G276-I280 WeakPolarHBondContact O-CG1 3.23Å; G276-I280 PolarHBondContact O-N 3.14Å; I277-I280 PolarHBondContact O-N 2.89Å; Q278-I280 PolarHBondContact O-N 2.64Å; I280-S282 PolarHBondContact O-N 2.72Å; I280-F283 PolarHBondContact O-N 3.22Å; I280-I284 HydrophobicContact CG2-CD1 4.03Å; I280-I284 HydrophobicContact CG2-CG2 4.5Å; I280-I284 VanDerWaalsContact O-CG1 3.3Å; I280-I284 WeakPolarHBondContact O-CG1 3.49Å; I280-I284 PolarHBondContact O-N 2.69Å
281	C	97.3	Very high	96.3	Very high	5 Å²	5	53.1 Å²	53.1	3%	0.034	32%	0.321	C	S	.	.	H	α-helix	trans	-57	-50.5	178	-69.3	0	0	0	0	110.9	I142 I277 Q278 F283 I284 G285 F286	I142-C281 WeakPolarHBondContact CG2-SG 3.33Å; I277-C281 WeakPolarHBondContact O-CB 3.17Å; I277-C281 PolarHBondContact O-N 2.86Å; I277-C281 PolarHBondContact O-SG 3.35Å; Q278-C281 PolarHBondContact O-N 3.49Å; C281-F283 VanDerWaalsContact C-N 3.28Å; C281-F283 PolarHBondContact O-N 2.88Å; C281-I284 PolarHBondContact O-N 3.5Å; C281-G285 PolarHBondContact O-N 3.18Å; C281-F286 CarbonylContact C-O 3.58Å; C281-F286 VanDerWaalsContact C-O 3.24Å; C281-F286 HydrophobicContact CB-CB 4.49Å; C281-F286 PolarHBondContact O-N 3.35Å
282	S	97.2	Very high	96.4	Very high	99 Å²	99	49.3 Å²	49.3	69%	0.692	30%	0.303	S	S	*	.	H	α-helix	trans	-57.7	-42	178.2	180	0	0	0	0	112	Q278 I280 G285	Q278-S282 WeakPolarHBondContact O-CB 3.47Å; Q278-S282 PolarHBondContact O-N 2.83Å; I280-S282 PolarHBondContact O-N 2.72Å; S282-G285 PolarHBondContact O-N 3.35Å
283	F	98.1	Very high	96.4	Very high	32 Å²	32	45.5 Å²	45.5	14%	0.14	28%	0.282	C	S	.	.	H	α-helix	trans	-68.3	-43.9	-179.7	168.8	-104.1	0	0	0	114	K198 V200 P259 N260 L262 Q279 I280 C281 G285	K198-F283 HydrophobicContact CB-CE1 4.07Å; K198-F283 HydrophobicContact CB-CZ 4.36Å; K198-F283 HydrophobicContact CD-CE1 4.33Å; K198-F283 HydrophobicContact CD-CE2 4.19Å; K198-F283 HydrophobicContact CD-CZ 3.99Å; K198-F283 WeakPolarHBondContact CE-O 3.36Å; V200-F283 HydrophobicContact CG2-CD1 3.94Å; V200-F283 HydrophobicContact CG2-CE1 3.83Å; P259-F283 WeakPolarHBondContact O-CE2 3.38Å; N260-F283 VanDerWaalsContact C-CZ 3.47Å; N260-F283 WeakPolarHBondContact O-CZ 3.43Å; L262-F283 HydrophobicContact CB-CB 4.39Å; L262-F283 HydrophobicContact CB-CD1 3.49Å; L262-F283 VanDerWaalsContact CB-CD1 3.49Å; L262-F283 HydrophobicContact CB-CD2 3.69Å; L262-F283 HydrophobicContact CB-CE1 3.49Å; L262-F283 VanDerWaalsContact CB-CE1 3.49Å; L262-F283 HydrophobicContact CB-CE2 3.67Å; L262-F283 HydrophobicContact CB-CG 3.58Å; L262-F283 HydrophobicContact CB-CZ 3.56Å; L262-F283 HydrophobicContact CD2-CB 3.73Å; L262-F283 HydrophobicContact CD2-CD1 3.79Å; L262-F283 HydrophobicContact CD2-CG 3.79Å; L262-F283 HydrophobicContact CG-CD1 4.27Å; L262-F283 HydrophobicContact CG-CG 4.22Å; L262-F283 VanDerWaalsContact N-CZ 3.3Å; Q279-F283 WeakPolarHBondContact O-CB 3.5Å; Q279-F283 PolarHBondContact O-N 3.14Å; I280-F283 PolarHBondContact O-N 3.22Å; C281-F283 VanDerWaalsContact C-N 3.28Å; C281-F283 PolarHBondContact O-N 2.88Å; F283-G285 PolarHBondContact O-N 3.1Å
284	I	95.7	Very high	96.4	Very high	16 Å²	16	48.7 Å²	48.7	8%	0.082	30%	0.297	C	S	.	.	H	α-helix	trans	-81.5	-1.6	179.7	69.4	-169.1	0	0	0	113.1	I122 I142 K198 V200 I280 C281 F286	I122-I284 HydrophobicContact CD1-CB 4.41Å; I122-I284 HydrophobicContact CD1-CD1 4.41Å; I122-I284 HydrophobicContact CG2-CG2 4.19Å; I142-I284 HydrophobicContact CG2-CD1 4.06Å; K198-I284 HydrophobicContact CB-CG2 4.38Å; V200-I284 HydrophobicContact CG2-CG2 4.18Å; I280-I284 HydrophobicContact CG2-CD1 4.03Å; I280-I284 HydrophobicContact CG2-CG2 4.5Å; I280-I284 VanDerWaalsContact O-CG1 3.3Å; I280-I284 WeakPolarHBondContact O-CG1 3.49Å; I280-I284 PolarHBondContact O-N 2.69Å; C281-I284 PolarHBondContact O-N 3.5Å; I284-F286 HydrophobicContact CD1-CD2 3.4Å; I284-F286 VanDerWaalsContact CD1-CD2 3.4Å; I284-F286 HydrophobicContact CD1-CE2 3.72Å; I284-F286 HydrophobicContact CD1-CG 4.3Å; I284-F286 HydrophobicContact CG1-CB 4.28Å; I284-F286 HydrophobicContact CG1-CD2 3.6Å; I284-F286 HydrophobicContact CG1-CE2 4.07Å; I284-F286 HydrophobicContact CG1-CG 4.03Å
285	G	95.3	Very high	96.3	Very high	61 Å²	61	53.6 Å²	53.6	63%	0.629	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	23.8	177	0	0	0	0	0	114.5	C281 S282 F283	C281-G285 PolarHBondContact O-N 3.18Å; S282-G285 PolarHBondContact O-N 3.35Å; F283-G285 PolarHBondContact O-N 3.1Å
286	F	94.6	Very high	96.1	Very high	39 Å²	39	51.9 Å²	51.9	17%	0.171	30%	0.303	C	S	.	.			trans	-103.1	155.5	172.5	-64.9	-27	0	0	0	112	I122 I142 I143 A146 T147 C281 I284	I122-F286 HydrophobicContact CD1-CE2 3.89Å; I122-F286 HydrophobicContact CD1-CZ 3.93Å; I142-F286 HydrophobicContact CG2-CD2 3.98Å; I143-F286 HydrophobicContact CB-CE2 4.42Å; I143-F286 HydrophobicContact CG1-CE2 3.78Å; A146-F286 HydrophobicContact CB-CB 3.82Å; A146-F286 HydrophobicContact CB-CD1 4.02Å; A146-F286 HydrophobicContact CB-CD2 3.75Å; A146-F286 HydrophobicContact CB-CE2 4.34Å; A146-F286 HydrophobicContact CB-CG 3.59Å; T147-F286 HydrophobicContact CG2-CE1 4.25Å; T147-F286 HydrophobicContact CG2-CZ 4.06Å; C281-F286 CarbonylContact C-O 3.58Å; C281-F286 VanDerWaalsContact C-O 3.24Å; C281-F286 HydrophobicContact CB-CB 4.49Å; C281-F286 PolarHBondContact O-N 3.35Å; I284-F286 HydrophobicContact CD1-CD2 3.4Å; I284-F286 VanDerWaalsContact CD1-CD2 3.4Å; I284-F286 HydrophobicContact CD1-CE2 3.72Å; I284-F286 HydrophobicContact CD1-CG 4.3Å; I284-F286 HydrophobicContact CG1-CB 4.28Å; I284-F286 HydrophobicContact CG1-CD2 3.6Å; I284-F286 HydrophobicContact CG1-CE2 4.07Å; I284-F286 HydrophobicContact CG1-CG 4.03Å
287	S	93.2	Very high	95.9	Very high	113 Å²	113	52 Å²	52	79%	0.79	30%	0.304	S	S	*	.			trans	-125.8	119.1	177.4	-63.8	0	0	0	0	109.2
288	L	95.4	Very high	95.6	Very high	28 Å²	28	55.1 Å²	55.1	15%	0.147	33%	0.33	C	S	.	.			trans	-115.5	143.7	171.4	-62.5	-174.1	0	0	0	109.1	I142 E145 A146 I277 Q292 V293	I142-L288 HydrophobicContact CG1-CD1 4.38Å; I142-L288 HydrophobicContact CG2-CD1 4.29Å; E145-L288 HydrophobicContact CB-CD2 3.92Å; E145-L288 HydrophobicContact CG-CD2 3.75Å; A146-L288 HydrophobicContact CB-CD2 4.12Å; I277-L288 HydrophobicContact CG2-CD1 4.4Å; L288-Q292 HydrophobicContact CB-CB 4.06Å; L288-Q292 HydrophobicContact CD2-CB 4.46Å; L288-V293 HydrophobicContact CB-CG2 3.91Å
289	T	96.6	Very high	95.1	Very high	81 Å²	81	53 Å²	53	50%	0.497	33%	0.327	S	S	.	.			trans	-69.1	159.2	169.2	62.7	0	0	0	0	110.6	A291 Q292 V293	T289-A291 PolarHBondContact O-N 3.05Å; T289-Q292 WeakPolarHBondContact O-CB 3.37Å; T289-Q292 PolarHBondContact O-N 3.21Å; T289-Q292 WeakPolarHBondContact OG1-CG 3.11Å; T289-Q292 PolarHBondContact OG1-N 3.46Å; T289-Q292 PolarHBondContact OG1-OE1 3.15Å; T289-V293 WeakPolarHBondContact O-CG2 3.37Å; T289-V293 PolarHBondContact O-N 3.41Å
290	E	95.3	Very high	94.6	Very high	100 Å²	100	48.7 Å²	48.7	47%	0.467	31%	0.307	S	S	.	.	H	α-helix	trans	-55	-40.7	176.6	-173.7	56.6	-150.4	0	0	112	Q278 Q292 V293 Q294	Q278-E290 PolarHBondContact NE2-OE2 3.45Å; E290-Q292 PolarHBondContact O-N 3.03Å; E290-V293 PolarHBondContact O-N 3.34Å; E290-Q294 VanDerWaalsContact O-CG 3.31Å; E290-Q294 WeakPolarHBondContact O-CG 3.26Å; E290-Q294 PolarHBondContact O-N 2.82Å; E290-Q294 PolarHBondContact OE1-NE2 2.91Å
291	A	95.8	Very high	93.9	Very high	74 Å²	74	51.9 Å²	51.9	61%	0.612	33%	0.326	S	S	*	.	H	α-helix	trans	-61.6	-42	176.6	0	0	0	0	0	112.5	T289 Q294 Q295	T289-A291 PolarHBondContact O-N 3.05Å; A291-Q294 PolarHBondContact O-N 2.61Å; A291-Q295 WeakPolarHBondContact O-CB 3.42Å; A291-Q295 PolarHBondContact O-N 3.44Å
292	Q	95.7	Very high	92.8	Very high	42 Å²	42	53.1 Å²	53.1	20%	0.196	33%	0.331	C	S	.	.	H	α-helix	trans	-66.5	-41.2	176.1	-74.4	167.4	-47	0	0	111.6	E145 L288 T289 E290 Q294 Q295 V296	E145-Q292 HydrophobicContact CG-CB 3.97Å; E145-Q292 HydrophobicContact CG-CG 3.8Å; E145-Q292 WeakPolarHBondContact OE1-CG 3.48Å; E145-Q292 PolarHBondContact OE1-NE2 3.33Å; L288-Q292 HydrophobicContact CB-CB 4.06Å; L288-Q292 HydrophobicContact CD2-CB 4.46Å; T289-Q292 WeakPolarHBondContact O-CB 3.37Å; T289-Q292 PolarHBondContact O-N 3.21Å; T289-Q292 WeakPolarHBondContact OG1-CG 3.11Å; T289-Q292 PolarHBondContact OG1-N 3.46Å; T289-Q292 PolarHBondContact OG1-OE1 3.15Å; E290-Q292 PolarHBondContact O-N 3.03Å; Q292-Q294 PolarHBondContact O-N 3.33Å; Q292-Q295 PolarHBondContact O-N 3.31Å; Q292-V296 VanDerWaalsContact O-CG2 3.31Å; Q292-V296 WeakPolarHBondContact O-CG2 3.48Å; Q292-V296 PolarHBondContact O-N 3.24Å
293	V	96.8	Very high	91.7	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.018	33%	0.326	C	S	.	.	H	α-helix	trans	-57.7	-50.5	174.9	170.9	0	0	0	0	110.5	S274 I277 Q278 L288 T289 E290 Q295 V296 A297	S274-V293 WeakPolarHBondContact O-CG1 3.24Å; I277-V293 HydrophobicContact CB-CG1 4.19Å; I277-V293 HydrophobicContact CG2-CB 4.41Å; I277-V293 HydrophobicContact CG2-CG1 4.02Å; I277-V293 HydrophobicContact CG2-CG2 4.12Å; Q278-V293 HydrophobicContact CG-CG1 4.03Å; Q278-V293 HydrophobicContact CG-CG2 4Å; L288-V293 HydrophobicContact CB-CG2 3.91Å; T289-V293 WeakPolarHBondContact O-CG2 3.37Å; T289-V293 PolarHBondContact O-N 3.41Å; E290-V293 PolarHBondContact O-N 3.34Å; V293-Q295 VanDerWaalsContact C-N 3.32Å; V293-Q295 PolarHBondContact O-N 2.8Å; V293-V296 PolarHBondContact O-N 2.85Å; V293-A297 WeakPolarHBondContact O-CB 3.1Å; V293-A297 PolarHBondContact O-N 3.01Å
294	Q	95.1	Very high	90.7	Very high	89 Å²	89	53.5 Å²	53.5	42%	0.416	33%	0.331	S	S	.	.	H	α-helix	trans	-63.3	-38.3	179.8	-64.9	-60.2	-24.9	0	0	112.1	S274 E290 A291 Q292 A297 A298	S274-Q294 PolarHBondContact OG-NE2 2.86Å; S274-Q294 PolarHBondContact OG-OE1 3.31Å; E290-Q294 VanDerWaalsContact O-CG 3.31Å; E290-Q294 WeakPolarHBondContact O-CG 3.26Å; E290-Q294 PolarHBondContact O-N 2.82Å; E290-Q294 PolarHBondContact OE1-NE2 2.91Å; A291-Q294 PolarHBondContact O-N 2.61Å; Q292-Q294 PolarHBondContact O-N 3.33Å; Q294-A297 PolarHBondContact O-N 3.39Å; Q294-A298 WeakPolarHBondContact O-CB 3.32Å; Q294-A298 PolarHBondContact O-N 3.45Å
295	Q	93.8	Very high	89.9	Confident	119 Å²	119	53.4 Å²	53.4	56%	0.556	33%	0.33	S	S	*	.	H	α-helix	trans	-62.1	-47.4	174.8	-176.3	-176.7	13.6	0	0	111.8	A291 Q292 V293 A297 A298 A299	A291-Q295 WeakPolarHBondContact O-CB 3.42Å; A291-Q295 PolarHBondContact O-N 3.44Å; Q292-Q295 PolarHBondContact O-N 3.31Å; V293-Q295 VanDerWaalsContact C-N 3.32Å; V293-Q295 PolarHBondContact O-N 2.8Å; Q295-A297 VanDerWaalsContact C-N 3.33Å; Q295-A297 PolarHBondContact O-N 3.24Å; Q295-A298 PolarHBondContact O-N 2.87Å; Q295-A299 WeakPolarHBondContact O-CB 3.32Å; Q295-A299 PolarHBondContact O-N 3.09Å
296	V	93.3	Very high	89	Confident	5 Å²	5	54 Å²	54	3%	0.03	32%	0.316	C	S	.	.	H	α-helix	trans	-62.9	-42	177.6	173.3	0	0	0	0	110.8	K141 I142 I277 Q292 V293 A299 S300	K141-V296 HydrophobicContact CB-CG1 3.8Å; K141-V296 HydrophobicContact CB-CG2 4.13Å; K141-V296 HydrophobicContact CD-CG1 4.49Å; I142-V296 HydrophobicContact CG1-CG1 4.16Å; I277-V296 HydrophobicContact CD1-CB 4.1Å; I277-V296 HydrophobicContact CD1-CG1 3.71Å; I277-V296 HydrophobicContact CG1-CG1 4.37Å; Q292-V296 VanDerWaalsContact O-CG2 3.31Å; Q292-V296 WeakPolarHBondContact O-CG2 3.48Å; Q292-V296 PolarHBondContact O-N 3.24Å; V293-V296 PolarHBondContact O-N 2.85Å; V296-A299 PolarHBondContact O-N 3.45Å; V296-S300 WeakPolarHBondContact O-CB 3.29Å; V296-S300 PolarHBondContact O-N 2.81Å; V296-S300 VanDerWaalsContact O-N 3.11Å; V296-S300 PolarHBondContact O-OG 2.99Å
297	A	93.6	Very high	88.1	Confident	10 Å²	10	59.2 Å²	59.2	8%	0.083	34%	0.34	C	S	.	.	H	α-helix	trans	-61.7	-50.1	178.2	0	0	0	0	0	111.6	L273 S274 I277 V293 Q294 Q295 A299 S300 T301	L273-A297 HydrophobicContact CB-CB 4.48Å; L273-A297 HydrophobicContact CD2-CB 4.24Å; L273-A297 HydrophobicContact CG-CB 4.27Å; S274-A297 WeakPolarHBondContact OG-CB 3.1Å; I277-A297 HydrophobicContact CD1-CB 3.81Å; V293-A297 WeakPolarHBondContact O-CB 3.1Å; V293-A297 PolarHBondContact O-N 3.01Å; Q294-A297 PolarHBondContact O-N 3.39Å; Q295-A297 VanDerWaalsContact C-N 3.33Å; Q295-A297 PolarHBondContact O-N 3.24Å; A297-A299 VanDerWaalsContact C-N 3.32Å; A297-A299 PolarHBondContact O-N 3.3Å; A297-S300 CarbonylContact O-C 3.58Å; A297-S300 PolarHBondContact O-N 3.15Å; A297-T301 PolarHBondContact O-N 2.87Å
298	A	90.3	Very high	87.1	Confident	65 Å²	65	56.1 Å²	56.1	54%	0.537	32%	0.319	S	S	.	.	H	α-helix	trans	-60.3	-41.4	178.5	0	0	0	0	0	112.2	Q294 Q295 S300 T301	Q294-A298 WeakPolarHBondContact O-CB 3.32Å; Q294-A298 PolarHBondContact O-N 3.45Å; Q295-A298 PolarHBondContact O-N 2.87Å; A298-S300 PolarHBondContact O-N 3.3Å; A298-T301 WeakPolarHBondContact O-CG2 3.28Å
299	A	87.4	Confident	86.1	Confident	41 Å²	41	54.8 Å²	54.8	34%	0.339	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-3.3	177.7	0	0	0	0	0	114.1	K141 Q295 V296 A297	K141-A299 HydrophobicContact CD-CB 3.98Å; K141-A299 VanDerWaalsContact CE-O 3.29Å; K141-A299 WeakPolarHBondContact CE-O 3.23Å; K141-A299 PolarHBondContact NZ-O 2.64Å; Q295-A299 WeakPolarHBondContact O-CB 3.32Å; Q295-A299 PolarHBondContact O-N 3.09Å; V296-A299 PolarHBondContact O-N 3.45Å; A297-A299 VanDerWaalsContact C-N 3.32Å; A297-A299 PolarHBondContact O-N 3.3Å
300	S	88.5	Confident	84.7	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	17.2	-177.6	-55.4	0	0	0	0	112.9	W134 K141 V296 A297 A298	W134-S300 PolarHBondContact NE1-O 2.78Å; K141-S300 WeakPolarHBondContact CD-OG 3.48Å; V296-S300 WeakPolarHBondContact O-CB 3.29Å; V296-S300 PolarHBondContact O-N 2.81Å; V296-S300 VanDerWaalsContact O-N 3.11Å; V296-S300 PolarHBondContact O-OG 2.99Å; A297-S300 CarbonylContact O-C 3.58Å; A297-S300 PolarHBondContact O-N 3.15Å; A298-S300 PolarHBondContact O-N 3.3Å
301	T	82.6	Confident	83.2	Confident	68 Å²	68	55 Å²	55	42%	0.417	32%	0.322	S	S	.	.	S	Bend	trans	-60.7	155.2	169.3	61.7	0	0	0	0	110.8	A297 A298 N303 A304 M305	A297-T301 PolarHBondContact O-N 2.87Å; A298-T301 WeakPolarHBondContact O-CG2 3.28Å; T301-N303 VanDerWaalsContact C-N 3.26Å; T301-N303 PolarHBondContact O-N 3.12Å; T301-A304 PolarHBondContact O-N 3.22Å; T301-A304 VanDerWaalsContact OG1-CB 3.32Å; T301-A304 WeakPolarHBondContact OG1-CB 3.48Å; T301-A304 PolarHBondContact OG1-N 3.39Å; T301-M305 WeakPolarHBondContact O-CB 3.5Å; T301-M305 WeakPolarHBondContact O-CG 3.42Å; T301-M305 PolarHBondContact O-N 3Å
302	F	74.4	Confident	81.7	Confident	31 Å²	31	53.5 Å²	53.5	14%	0.136	31%	0.307	C	S	.	.	H	α-helix	trans	-55.6	-41.7	179.6	178.9	-98.3	0	0	0	112.3	M305 K306 F321 K323 G324	F302-M305 PolarHBondContact O-N 3.36Å; F302-K306 HydrophobicContact CE1-CB 4.44Å; F302-K306 HydrophobicContact CE1-CD 3.84Å; F302-K306 HydrophobicContact CZ-CD 4.13Å; F302-K306 VanDerWaalsContact O-CB 3.26Å; F302-K306 WeakPolarHBondContact O-CB 3.49Å; F302-K306 PolarHBondContact O-N 3.24Å; F302-F321 HydrophobicContact CD2-CD1 4.31Å; F302-F321 HydrophobicContact CE2-CB 4.12Å; F302-F321 AromaticContact CE2-CD1 3.92Å; F302-F321 HydrophobicContact CE2-CD1 3.92Å; F302-F321 HydrophobicContact CZ-CB 4.11Å; F302-K323 WeakPolarHBondContact CE1-O 3.12Å; F302-K323 WeakPolarHBondContact CZ-O 3.25Å; F302-G324 VanDerWaalsContact CE2-CA 3.41Å
303	N	74.4	Confident	80.1	Confident	110 Å²	110	53 Å²	53	59%	0.588	30%	0.304	S	S	*	.	H	α-helix	trans	-64.7	-48.3	178.7	-68	-13	0	0	0	111.4	T301 M305 K306 E307	T301-N303 VanDerWaalsContact C-N 3.26Å; T301-N303 PolarHBondContact O-N 3.12Å; N303-M305 VanDerWaalsContact C-N 3.27Å; N303-M305 PolarHBondContact O-N 2.85Å; N303-K306 PolarHBondContact O-N 3.3Å; N303-E307 WeakPolarHBondContact O-CB 3.47Å; N303-E307 WeakPolarHBondContact O-CG 3.24Å; N303-E307 PolarHBondContact O-N 2.82Å
304	A	77.8	Confident	78.8	Confident	29 Å²	29	54.5 Å²	54.5	24%	0.24	32%	0.321	C	S	.	.	H	α-helix	trans	-59.5	-39.3	176.4	0	0	0	0	0	112.2	T301 S308	T301-A304 PolarHBondContact O-N 3.22Å; T301-A304 VanDerWaalsContact OG1-CB 3.32Å; T301-A304 WeakPolarHBondContact OG1-CB 3.48Å; T301-A304 PolarHBondContact OG1-N 3.39Å; A304-S308 WeakPolarHBondContact O-CB 3.37Å; A304-S308 PolarHBondContact O-N 2.91Å; A304-S308 PolarHBondContact O-OG 3.27Å
305	M	77.5	Confident	77.4	Confident	13 Å²	13	57.8 Å²	57.8	6%	0.064	34%	0.341	C	S	.	.	H	α-helix	trans	-71.6	-37.8	177.4	-71.5	-62.9	-53.2	0	0	112.5	T301 F302 N303 S308 S309 F321	T301-M305 WeakPolarHBondContact O-CB 3.5Å; T301-M305 WeakPolarHBondContact O-CG 3.42Å; T301-M305 PolarHBondContact O-N 3Å; F302-M305 PolarHBondContact O-N 3.36Å; N303-M305 VanDerWaalsContact C-N 3.27Å; N303-M305 PolarHBondContact O-N 2.85Å; M305-S308 WeakPolarHBondContact CA-OG 3.45Å; M305-S308 PolarHBondContact O-N 2.92Å; M305-S308 PolarHBondContact O-OG 2.76Å; M305-S308 VanDerWaalsContact O-OG 3.05Å; M305-S309 WeakPolarHBondContact O-CB 3.33Å; M305-S309 PolarHBondContact O-N 2.79Å; M305-F321 HydrophobicContact CB-CD1 4.45Å; M305-F321 HydrophobicContact CB-CE1 3.86Å; M305-F321 HydrophobicContact CB-CZ 4.4Å; M305-F321 HydrophobicContact CE-CZ 4.26Å
306	K	76.3	Confident	76.2	Confident	75 Å²	75	53.9 Å²	53.9	33%	0.326	32%	0.324	S	S	.	.	H	α-helix	trans	-66.3	-43.8	175.4	-175.9	170.4	-178	171	0	111.3	F302 N303 S308 S309 F321 R322	F302-K306 HydrophobicContact CE1-CB 4.44Å; F302-K306 HydrophobicContact CE1-CD 3.84Å; F302-K306 HydrophobicContact CZ-CD 4.13Å; F302-K306 VanDerWaalsContact O-CB 3.26Å; F302-K306 WeakPolarHBondContact O-CB 3.49Å; F302-K306 PolarHBondContact O-N 3.24Å; N303-K306 PolarHBondContact O-N 3.3Å; K306-S308 PolarHBondContact O-N 3.04Å; K306-S309 VanDerWaalsContact O-CB 3.26Å; K306-S309 WeakPolarHBondContact O-CB 3.23Å; K306-S309 PolarHBondContact O-N 3.47Å; K306-S309 VanDerWaalsContact O-N 3.1Å; K306-S309 PolarHBondContact O-OG 3.07Å; K306-F321 HydrophobicContact CB-CB 4.08Å; K306-F321 HydrophobicContact CD-CB 4.38Å; K306-F321 WeakPolarHBondContact CE-O 3.41Å; K306-F321 HydrophobicContact CG-CB 3.94Å; K306-F321 PolarHBondContact NZ-O 2.8Å; K306-R322 PolarHBondContact NZ-O 3.21Å
307	E	76.3	Confident	75	Confident	147 Å²	147	53.7 Å²	53.7	69%	0.687	32%	0.322	S	S	*	.	H	α-helix	trans	-61.7	-43.6	175.3	-73.3	170.6	-167.4	0	0	111.7	N303 S309	N303-E307 WeakPolarHBondContact O-CB 3.47Å; N303-E307 WeakPolarHBondContact O-CG 3.24Å; N303-E307 PolarHBondContact O-N 2.82Å; E307-S309 PolarHBondContact O-N 3.37Å
308	S	73.1	Confident	73.7	Confident	48 Å²	48	58.7 Å²	58.7	34%	0.336	35%	0.348	S	S	.	.	H	α-helix	trans	-73.5	-13.2	175.2	61.8	0	0	0	0	114	A304 M305 K306 A310 N311 S312	A304-S308 WeakPolarHBondContact O-CB 3.37Å; A304-S308 PolarHBondContact O-N 2.91Å; A304-S308 PolarHBondContact O-OG 3.27Å; M305-S308 WeakPolarHBondContact CA-OG 3.45Å; M305-S308 PolarHBondContact O-N 2.92Å; M305-S308 PolarHBondContact O-OG 2.76Å; M305-S308 VanDerWaalsContact O-OG 3.05Å; K306-S308 PolarHBondContact O-N 3.04Å; S308-A310 VanDerWaalsContact C-N 3.34Å; S308-A310 PolarHBondContact O-N 3.17Å; S308-N311 PolarHBondContact O-N 2.86Å; S308-S312 PolarHBondContact O-N 3.06Å; S308-S312 PolarHBondContact O-OG 3.48Å
309	S	73.4	Confident	72.9	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.007	33%	0.33	C	S	.	.	H	α-helix	trans	-66.6	-33.4	-179.1	80.6	0	0	0	0	113	M305 K306 E307 N311 S312 H313 G317 F321	M305-S309 WeakPolarHBondContact O-CB 3.33Å; M305-S309 PolarHBondContact O-N 2.79Å; K306-S309 VanDerWaalsContact O-CB 3.26Å; K306-S309 WeakPolarHBondContact O-CB 3.23Å; K306-S309 PolarHBondContact O-N 3.47Å; K306-S309 VanDerWaalsContact O-N 3.1Å; K306-S309 PolarHBondContact O-OG 3.07Å; E307-S309 PolarHBondContact O-N 3.37Å; S309-N311 PolarHBondContact O-N 3.38Å; S309-S312 WeakPolarHBondContact CA-OG 3.42Å; S309-S312 PolarHBondContact O-N 2.92Å; S309-S312 VanDerWaalsContact O-N 3.11Å; S309-S312 PolarHBondContact O-OG 3.05Å; S309-H313 PolarHBondContact O-N 3.36Å; S309-G317 WeakPolarHBondContact OG-CA 3.25Å; S309-F321 VanDerWaalsContact CB-CE2 3.47Å
310	A	66.6	Low	72.1	Confident	64 Å²	64	56.2 Å²	56.2	53%	0.529	32%	0.321	S	S	.	.	H	α-helix	trans	-57.4	-35.9	175.6	0	0	0	0	0	111.5	S308 G314	S308-A310 VanDerWaalsContact C-N 3.34Å; S308-A310 PolarHBondContact O-N 3.17Å; A310-G314 VanDerWaalsContact O-CA 3.25Å; A310-G314 WeakPolarHBondContact O-CA 3.43Å; A310-G314 PolarHBondContact O-N 2.96Å
311	N	64.3	Low	71.4	Confident	122 Å²	122	56.6 Å²	56.6	65%	0.652	32%	0.322	S	S	*	.	H	α-helix	trans	-82.5	-24	179.7	-67.9	-35.2	0	0	0	113.7	K154 S308 S309	K154-N311 WeakPolarHBondContact CD-O 3.26Å; K154-N311 PolarHBondContact NZ-O 3.35Å; S308-N311 PolarHBondContact O-N 2.86Å; S309-N311 PolarHBondContact O-N 3.38Å
312	S	63.9	Low	71.2	Confident	41 Å²	41	56 Å²	56	29%	0.287	31%	0.312	S	S	.	.	H	α-helix	trans	-100	-31.5	-176.1	49.1	0	0	0	0	114	S308 S309	S308-S312 PolarHBondContact O-N 3.06Å; S308-S312 PolarHBondContact O-OG 3.48Å; S309-S312 WeakPolarHBondContact CA-OG 3.42Å; S309-S312 PolarHBondContact O-N 2.92Å; S309-S312 VanDerWaalsContact O-N 3.11Å; S309-S312 PolarHBondContact O-OG 3.05Å
313	H	62.8	Low	71.5	Confident	31 Å²	31	58.2 Å²	58.2	14%	0.144	32%	0.322	C	S	.	.	H	α-helix	trans	-124.1	-1.1	-174	-62.4	82	0	0	0	112.8	N133 M155 S309 N315 M316 I320	N133-H313 PolarHBondContact OD1-NE2 3.16Å; M155-H313 VanDerWaalsContact SD-CE1 3.55Å; M155-H313 PolarHBondContact SD-NE2 3.22Å; S309-H313 PolarHBondContact O-N 3.36Å; H313-N315 PolarHBondContact O-N 3.02Å; H313-M316 HydrophobicContact CB-CB 4.36Å; H313-M316 WeakPolarHBondContact O-CB 3.46Å; H313-M316 PolarHBondContact O-N 2.79Å; H313-M316 VanDerWaalsContact O-N 3.07Å; H313-I320 HydrophobicContact CB-CD1 4.15Å; H313-I320 WeakPolarHBondContact CD2-CD1 3.32Å
314	G	69.9	Low	71.7	Confident	36 Å²	36	53.6 Å²	53.6	37%	0.371	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	56.1	-134.8	-177.6	0	0	0	0	0	111.5	A310 M316 G317	A310-G314 VanDerWaalsContact O-CA 3.25Å; A310-G314 WeakPolarHBondContact O-CA 3.43Å; A310-G314 PolarHBondContact O-N 2.96Å; G314-M316 PolarHBondContact O-N 3.38Å; G314-M316 VanDerWaalsContact O-N 3.14Å; G314-G317 PolarHBondContact O-N 3.18Å
315	N	64.9	Low	72.3	Confident	157 Å²	157	57.2 Å²	57.2	84%	0.84	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-61.5	-21.8	178.5	-67.6	-4.2	0	0	0	113.5	H313 G317	H313-N315 PolarHBondContact O-N 3.02Å; N315-G317 PolarHBondContact O-N 3.4Å
316	M	69.9	Low	73.1	Confident	38 Å²	38	59.1 Å²	59.1	19%	0.187	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-75.5	-11.3	175.3	-67.5	-52.3	-53.6	0	0	113.3	N220 H313 G314 N318 V319 I320	N220-M316 HydrophobicContact CB-CE 4.13Å; H313-M316 HydrophobicContact CB-CB 4.36Å; H313-M316 WeakPolarHBondContact O-CB 3.46Å; H313-M316 PolarHBondContact O-N 2.79Å; H313-M316 VanDerWaalsContact O-N 3.07Å; G314-M316 PolarHBondContact O-N 3.38Å; G314-M316 VanDerWaalsContact O-N 3.14Å; M316-N318 PolarHBondContact O-N 3.4Å; M316-V319 HydrophobicContact CE-CB 3.56Å; M316-V319 HydrophobicContact CE-CG1 3.55Å; M316-V319 HydrophobicContact CE-CG2 3.86Å; M316-V319 PolarHBondContact O-N 2.97Å; M316-V319 HydrophobicContact SD-CG2 4.34Å; M316-I320 HydrophobicContact CB-CD1 4.25Å; M316-I320 WeakPolarHBondContact O-CB 3.32Å; M316-I320 VanDerWaalsContact O-CG1 3.32Å; M316-I320 WeakPolarHBondContact O-CG1 3.27Å; M316-I320 PolarHBondContact O-N 3.19Å
317	G	66.8	Low	74	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-55.4	-47.7	178.1	0	0	0	0	0	112.6	S309 G314 N315 V319 I320 F321	S309-G317 WeakPolarHBondContact OG-CA 3.25Å; G314-G317 PolarHBondContact O-N 3.18Å; N315-G317 PolarHBondContact O-N 3.4Å; G317-V319 VanDerWaalsContact C-N 3.3Å; G317-V319 PolarHBondContact O-N 2.62Å; G317-I320 PolarHBondContact O-N 3.42Å; G317-F321 WeakPolarHBondContact O-CB 3.49Å; G317-F321 WeakPolarHBondContact O-CD2 3.25Å; G317-F321 PolarHBondContact O-N 3.07Å
318	N	67.6	Low	74.9	Confident	116 Å²	116	49.6 Å²	49.6	62%	0.62	29%	0.286	S	S	*	.	H	α-helix	trans	-68.5	-28.4	179.9	-71.2	-31.4	0	0	0	113.5	M316	M316-N318 PolarHBondContact O-N 3.4Å
319	V	71.7	Confident	76	Confident	26 Å²	26	47.5 Å²	47.5	16%	0.158	27%	0.271	C	S	.	.	H	α-helix	trans	-75.1	-34.5	176	179	0	0	0	0	111	F216 N219 M316 G317	F216-V319 HydrophobicContact CD2-CG1 3.98Å; N219-V319 HydrophobicContact CB-CB 4.34Å; N219-V319 HydrophobicContact CB-CG1 3.69Å; N219-V319 HydrophobicContact CB-CG2 3.88Å; N219-V319 WeakPolarHBondContact O-CG2 3.48Å; M316-V319 HydrophobicContact CE-CB 3.56Å; M316-V319 HydrophobicContact CE-CG1 3.55Å; M316-V319 HydrophobicContact CE-CG2 3.86Å; M316-V319 PolarHBondContact O-N 2.97Å; M316-V319 HydrophobicContact SD-CG2 4.34Å; G317-V319 VanDerWaalsContact C-N 3.3Å; G317-V319 PolarHBondContact O-N 2.62Å
320	I	71.6	Confident	77.1	Confident	28 Å²	28	52.3 Å²	52.3	14%	0.144	29%	0.288	C	S	.	.	H	α-helix	trans	-79.2	-44.6	179.3	-69	168.8	0	0	0	111.1	N133 H313 M316 G317	N133-I320 HydrophobicContact CB-CG2 3.69Å; N133-I320 WeakPolarHBondContact ND2-CG2 3.22Å; H313-I320 HydrophobicContact CB-CD1 4.15Å; H313-I320 WeakPolarHBondContact CD2-CD1 3.32Å; M316-I320 HydrophobicContact CB-CD1 4.25Å; M316-I320 WeakPolarHBondContact O-CB 3.32Å; M316-I320 VanDerWaalsContact O-CG1 3.32Å; M316-I320 WeakPolarHBondContact O-CG1 3.27Å; M316-I320 PolarHBondContact O-N 3.19Å; G317-I320 PolarHBondContact O-N 3.42Å
321	F	73.5	Confident	78.5	Confident	7 Å²	7	54.9 Å²	54.9	3%	0.031	29%	0.293	C	S	.	.	S	Bend	trans	-105.4	75.1	-176.9	-64.9	-88.4	0	0	0	111.3	N133 F302 M305 K306 S309 G317	N133-F321 HydrophobicContact CB-CE2 4.39Å; N133-F321 HydrophobicContact CB-CZ 4.01Å; F302-F321 HydrophobicContact CD2-CD1 4.31Å; F302-F321 HydrophobicContact CE2-CB 4.12Å; F302-F321 AromaticContact CE2-CD1 3.92Å; F302-F321 HydrophobicContact CE2-CD1 3.92Å; F302-F321 HydrophobicContact CZ-CB 4.11Å; M305-F321 HydrophobicContact CB-CD1 4.45Å; M305-F321 HydrophobicContact CB-CE1 3.86Å; M305-F321 HydrophobicContact CB-CZ 4.4Å; M305-F321 HydrophobicContact CE-CZ 4.26Å; K306-F321 HydrophobicContact CB-CB 4.08Å; K306-F321 HydrophobicContact CD-CB 4.38Å; K306-F321 WeakPolarHBondContact CE-O 3.41Å; K306-F321 HydrophobicContact CG-CB 3.94Å; K306-F321 PolarHBondContact NZ-O 2.8Å; S309-F321 VanDerWaalsContact CB-CE2 3.47Å; G317-F321 WeakPolarHBondContact O-CB 3.49Å; G317-F321 WeakPolarHBondContact O-CD2 3.25Å; G317-F321 PolarHBondContact O-N 3.07Å
322	R	78.9	Confident	80.1	Confident	56 Å²	56	51.5 Å²	51.5	21%	0.211	27%	0.273	C	S	.	.	S	Bend	trans	-75.6	-80.2	-177.8	-169	-175.2	62.5	87.3	7.4	112.8	K306 D328	K306-R322 PolarHBondContact NZ-O 3.21Å; R322-D328 IonicContact CZ-OD2 2.8Å; R322-D328 IonicContact NH1-OD2 3.96Å; R322-D328 PolarHBondContact NH1-OD2 3.33Å; R322-D328 IonicContact NH2-OD2 3.85Å; R322-D328 PolarHBondContact NH2-OD2 3.45Å
323	K	79.5	Confident	81.7	Confident	78 Å²	78	50.5 Å²	50.5	34%	0.339	26%	0.264	S	S	.	.			trans	-115.2	-41.5	-179.6	-69.1	-167.9	-176.3	-178.3	0	114.5	F302 E325 D328	F302-K323 WeakPolarHBondContact CE1-O 3.12Å; F302-K323 WeakPolarHBondContact CZ-O 3.25Å; K323-E325 VanDerWaalsContact C-N 3.28Å; K323-E325 HydrophobicContact CB-CG 4.43Å; K323-E325 PolarHBondContact O-N 3.3Å; K323-D328 HydrophobicContact CD-CB 4.46Å; K323-D328 WeakPolarHBondContact CD-OD2 3.26Å; K323-D328 IonicContact NZ-OD1 2.69Å; K323-D328 PolarHBondContact NZ-OD1 2.69Å; K323-D328 IonicContact NZ-OD2 3.79Å
324	G	80.1	Confident	83.4	Confident	12 Å²	12	50.9 Å²	50.9	12%	0.124	27%	0.27	C	S	.	.			trans	67	27.9	179.3	0	0	0	0	0	114.7	K270 F302	K270-G324 WeakPolarHBondContact CE-O 3.29Å; K270-G324 PolarHBondContact NZ-O 3.11Å; F302-G324 VanDerWaalsContact CE2-CA 3.41Å
325	E	89.3	Confident	84.7	Confident	105 Å²	105	53.5 Å²	53.5	49%	0.491	28%	0.281	S	S	.	.			trans	-112.5	160.1	-176.3	-68.7	165.4	175	0	0	111.1	R204 K323	R204-E325 PolarHBondContact NH2-O 3.27Å; K323-E325 VanDerWaalsContact C-N 3.28Å; K323-E325 HydrophobicContact CB-CG 4.43Å; K323-E325 PolarHBondContact O-N 3.3Å
326	V	94.1	Very high	86.3	Confident	54 Å²	54	51.3 Å²	51.3	33%	0.327	27%	0.266	S	S	.	.	S	Bend	trans	-101.2	129.5	171.6	-178.5	0	0	0	0	107.9	D208 F266 E267 K270 H363	D208-V326 WeakPolarHBondContact OD2-CA 3.13Å; F266-V326 HydrophobicContact CD1-CG2 4.16Å; F266-V326 HydrophobicContact CE1-CG2 4.06Å; E267-V326 HydrophobicContact CG-CG1 3.99Å; E267-V326 HydrophobicContact CG-CG2 3.96Å; K270-V326 HydrophobicContact CG-CG2 4.48Å; V326-H363 HydrophobicContact CG1-CB 4.29Å
327	G	95.4	Very high	87.6	Confident	18 Å²	18	50.4 Å²	50.4	19%	0.186	26%	0.261	C	S	.	.			trans	102	9.4	177.1	0	0	0	0	0	116.1	D208 W329 R330	D208-G327 PolarHBondContact OD1-N 3.38Å; D208-G327 PolarHBondContact OD2-N 3.17Å; G327-W329 PolarHBondContact O-N 2.72Å; G327-R330 PolarHBondContact O-N 3.22Å
328	D	95.9	Very high	89.1	Confident	4 Å²	4	51 Å²	51	2%	0.021	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-69.2	-16	178.3	-169.7	44.8	0	0	0	112.7	D208 R322 K323 R330 N331 H332	D208-D328 PolarHBondContact OD1-N 3.44Å; R322-D328 IonicContact CZ-OD2 2.8Å; R322-D328 IonicContact NH1-OD2 3.96Å; R322-D328 PolarHBondContact NH1-OD2 3.33Å; R322-D328 IonicContact NH2-OD2 3.85Å; R322-D328 PolarHBondContact NH2-OD2 3.45Å; K323-D328 HydrophobicContact CD-CB 4.46Å; K323-D328 WeakPolarHBondContact CD-OD2 3.26Å; K323-D328 IonicContact NZ-OD1 2.69Å; K323-D328 PolarHBondContact NZ-OD1 2.69Å; K323-D328 IonicContact NZ-OD2 3.79Å; D328-R330 PolarHBondContact O-N 2.91Å; D328-N331 WeakPolarHBondContact O-CB 3.39Å; D328-N331 PolarHBondContact O-N 3.19Å; D328-N331 VanDerWaalsContact O-N 3.09Å; D328-N331 PolarHBondContact OD1-ND2 2.95Å; D328-H332 PolarHBondContact O-ND1 3.09Å; D328-H332 IonicContact OD1-CE1 3.7Å; D328-H332 IonicContact OD2-CE1 3.42Å; D328-H332 PolarHBondContact OD2-CE1 3.23Å; D328-H332 VanDerWaalsContact OD2-CE1 3.31Å; D328-H332 IonicContact OD2-ND1 2.69Å
329	W	97.1	Very high	90.6	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.015	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-55.2	-30.6	172.1	69.5	-98.4	0	0	0	114.1	K207 D208 V211 G327 N331 H332 F333 H363 C364	K207-W329 HydrophobicContact CB-CB 3.56Å; K207-W329 HydrophobicContact CB-CD2 3.89Å; K207-W329 HydrophobicContact CB-CE3 4.47Å; K207-W329 HydrophobicContact CB-CG 3.47Å; K207-W329 VanDerWaalsContact CB-CG 3.47Å; K207-W329 HydrophobicContact CD-CD2 3.54Å; K207-W329 HydrophobicContact CD-CE3 3.54Å; K207-W329 HydrophobicContact CD-CG 4.1Å; K207-W329 HydrophobicContact CD-CH2 4.08Å; K207-W329 HydrophobicContact CD-CZ2 4.07Å; K207-W329 HydrophobicContact CD-CZ3 3.82Å; K207-W329 HydrophobicContact CG-CD2 4.32Å; K207-W329 HydrophobicContact CG-CG 4.39Å; D208-W329 PolarHBondContact OD1-N 3.37Å; V211-W329 HydrophobicContact CG2-CB 3.97Å; G327-W329 PolarHBondContact O-N 2.72Å; W329-N331 PolarHBondContact O-N 3.24Å; W329-N331 VanDerWaalsContact O-N 3.14Å; W329-H332 PolarHBondContact O-N 2.84Å; W329-F333 HydrophobicContact CB-CD2 3.85Å; W329-F333 HydrophobicContact CB-CE2 3.92Å; W329-F333 HydrophobicContact CE3-CB 4.2Å; W329-F333 HydrophobicContact CE3-CD2 4.46Å; W329-F333 HydrophobicContact CE3-CG 4.26Å; W329-F333 WeakPolarHBondContact O-CD2 3.19Å; W329-F333 PolarHBondContact O-N 3.32Å; W329-H363 PolarHBondContact NE1-O 2.95Å; W329-C364 VanDerWaalsContact CH2-O 3.24Å; W329-C364 WeakPolarHBondContact CH2-O 3.35Å; W329-C364 WeakPolarHBondContact CZ2-O 3.5Å
330	R	95.9	Very high	91.9	Very high	101 Å²	101	55.1 Å²	55.1	38%	0.381	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-61	-23.9	177.5	-60.6	-173.4	-164.3	-71.8	5.9	113.2	G327 D328 H332 Q365 D366	G327-R330 PolarHBondContact O-N 3.22Å; D328-R330 PolarHBondContact O-N 2.91Å; R330-H332 VanDerWaalsContact C-N 3.32Å; R330-Q365 PolarHBondContact NH1-O 2.98Å; R330-Q365 VanDerWaalsContact NH1-O 3.11Å; R330-Q365 PolarHBondContact NH2-O 2.96Å; R330-D366 IonicContact CZ-OD1 3.12Å; R330-D366 IonicContact NH1-OD1 2.64Å; R330-D366 PolarHBondContact NH1-OD1 2.96Å
331	N	96.3	Very high	93.1	Very high	118 Å²	118	53.8 Å²	53.8	63%	0.631	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-86.1	-1.5	178.9	-59.8	-48.5	0	0	0	113.5	D328 W329	D328-N331 WeakPolarHBondContact O-CB 3.39Å; D328-N331 PolarHBondContact O-N 3.19Å; D328-N331 VanDerWaalsContact O-N 3.09Å; D328-N331 PolarHBondContact OD1-ND2 2.95Å; W329-N331 PolarHBondContact O-N 3.24Å; W329-N331 VanDerWaalsContact O-N 3.14Å
332	H	96.5	Very high	94.3	Very high	51 Å²	51	54.5 Å²	54.5	24%	0.236	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	-41.7	-170.7	-60.8	78.8	0	0	0	113	V211 H215 W228 D328 W329 R330	V211-H332 HydrophobicContact CG2-CB 4.07Å; H215-H332 AromaticContact CD2-NE2 3.98Å; H215-H332 AromaticContact CE1-NE2 3.96Å; H215-H332 AromaticContact NE2-CD2 3.66Å; H215-H332 AromaticContact NE2-NE2 3.02Å; H215-H332 PolarHBondContact NE2-NE2 3.06Å; W228-H332 HydrophobicContact CH2-CB 3.74Å; W228-H332 HydrophobicContact CZ2-CB 3.75Å; W228-H332 HydrophobicContact CZ3-CB 4.29Å; W228-H332 PolarHBondContact NE1-O 3.35Å; D328-H332 PolarHBondContact O-ND1 3.09Å; D328-H332 IonicContact OD1-CE1 3.7Å; D328-H332 IonicContact OD2-CE1 3.42Å; D328-H332 PolarHBondContact OD2-CE1 3.23Å; D328-H332 VanDerWaalsContact OD2-CE1 3.31Å; D328-H332 IonicContact OD2-ND1 2.69Å; W329-H332 PolarHBondContact O-N 2.84Å; R330-H332 VanDerWaalsContact C-N 3.32Å
333	F	97.9	Very high	95.3	Very high	20 Å²	20	57.6 Å²	57.6	9%	0.088	29%	0.287	C	S	.	.			trans	-71.6	135.2	-176.5	-82.2	-119.5	0	0	0	111.2	K207 L210 V211 W228 F232 W329 Q337 M341	K207-F333 HydrophobicContact CB-CE1 4.38Å; K207-F333 HydrophobicContact CB-CE2 4.15Å; K207-F333 HydrophobicContact CB-CZ 3.91Å; K207-F333 HydrophobicContact CD-CE1 4.37Å; K207-F333 HydrophobicContact CG-CE1 3.95Å; K207-F333 HydrophobicContact CG-CZ 3.97Å; K207-F333 WeakPolarHBondContact O-CE2 3.29Å; L210-F333 HydrophobicContact CB-CZ 4.36Å; L210-F333 HydrophobicContact CD1-CZ 4.03Å; V211-F333 HydrophobicContact CG2-CD2 4.15Å; V211-F333 HydrophobicContact CG2-CE2 3.75Å; W228-F333 HydrophobicContact CH2-CD2 4.04Å; W228-F333 AromaticContact CH2-CE2 3.88Å; W228-F333 HydrophobicContact CH2-CE2 3.88Å; W228-F333 AromaticContact CZ2-CD2 3.81Å; W228-F333 HydrophobicContact CZ2-CD2 3.81Å; W228-F333 HydrophobicContact CZ2-CE2 4.01Å; W228-F333 HydrophobicContact CZ2-CG 4.41Å; F232-F333 HydrophobicContact CD2-CE1 4.22Å; F232-F333 HydrophobicContact CD2-CZ 4.43Å; F232-F333 HydrophobicContact CE2-CD1 4.16Å; F232-F333 AromaticContact CE2-CE1 3.62Å; F232-F333 HydrophobicContact CE2-CE1 3.62Å; F232-F333 HydrophobicContact CE2-CZ 4.19Å; W329-F333 HydrophobicContact CB-CD2 3.85Å; W329-F333 HydrophobicContact CB-CE2 3.92Å; W329-F333 HydrophobicContact CE3-CB 4.2Å; W329-F333 HydrophobicContact CE3-CD2 4.46Å; W329-F333 HydrophobicContact CE3-CG 4.26Å; W329-F333 WeakPolarHBondContact O-CD2 3.19Å; W329-F333 PolarHBondContact O-N 3.32Å; F333-Q337 HydrophobicContact CD1-CB 3.97Å; F333-M341 HydrophobicContact CE1-CB 4.09Å; F333-M341 HydrophobicContact CE1-CE 4.37Å; F333-M341 HydrophobicContact CE1-CG 4.43Å; F333-M341 HydrophobicContact CZ-CE 4.29Å
334	S	98.1	Very high	96.2	Very high	39 Å²	39	54.7 Å²	54.7	27%	0.273	28%	0.278	S	S	.	.			trans	-70.7	159.9	159.5	93.9	0	0	0	0	110.5	E336 Q337 S338	S334-E336 WeakPolarHBondContact CB-OE2 3.29Å; S334-E336 PolarHBondContact O-N 2.94Å; S334-E336 PolarHBondContact OG-N 3.25Å; S334-E336 PolarHBondContact OG-OE2 3.35Å; S334-Q337 VanDerWaalsContact N-OE1 3.14Å; S334-Q337 PolarHBondContact O-N 2.95Å; S334-Q337 PolarHBondContact OG-N 3.21Å; S334-S338 WeakPolarHBondContact O-CB 3.2Å; S334-S338 PolarHBondContact O-N 2.65Å
335	P	97.4	Very high	97	Very high	91 Å²	91	54.5 Å²	54.5	59%	0.591	27%	0.273	S	S	*	.	H	α-helix	trans	-55.1	-36.1	173.4	-26.5	36.2	0	0	0	113.4	R339	P335-R339 PolarHBondContact O-N 3.44Å
336	E	98.2	Very high	97.5	Very high	112 Å²	112	53.3 Å²	53.3	52%	0.523	27%	0.27	S	S	.	.	H	α-helix	trans	-69.3	-47.8	178.4	-60.1	68.3	-146.9	0	0	111.4	S334 S338 R339 E340	S334-E336 WeakPolarHBondContact CB-OE2 3.29Å; S334-E336 PolarHBondContact O-N 2.94Å; S334-E336 PolarHBondContact OG-N 3.25Å; S334-E336 PolarHBondContact OG-OE2 3.35Å; E336-S338 VanDerWaalsContact C-N 3.26Å; E336-S338 PolarHBondContact O-N 3.02Å; E336-R339 PolarHBondContact O-N 3.07Å; E336-E340 PolarHBondContact O-N 3.25Å
337	Q	98.4	Very high	97.7	Very high	19 Å²	19	59.5 Å²	59.5	9%	0.089	29%	0.293	C	S	.	.	H	α-helix	trans	-60.7	-38.5	175.6	-72.5	174.9	-21.3	0	0	111.5	D229 F232 F333 S334 E340 M341	D229-Q337 PolarHBondContact OD1-NE2 2.85Å; F232-Q337 HydrophobicContact CD1-CG 3.96Å; F232-Q337 HydrophobicContact CD2-CB 4.13Å; F232-Q337 HydrophobicContact CD2-CG 4.16Å; F232-Q337 HydrophobicContact CE1-CB 4.13Å; F232-Q337 HydrophobicContact CE1-CG 3.85Å; F232-Q337 HydrophobicContact CE2-CB 3.65Å; F232-Q337 HydrophobicContact CE2-CG 4.06Å; F232-Q337 HydrophobicContact CG-CG 4.13Å; F232-Q337 HydrophobicContact CZ-CB 3.66Å; F232-Q337 HydrophobicContact CZ-CG 3.91Å; F232-Q337 WeakPolarHBondContact CZ-O 3.34Å; F333-Q337 HydrophobicContact CD1-CB 3.97Å; S334-Q337 VanDerWaalsContact N-OE1 3.14Å; S334-Q337 PolarHBondContact O-N 2.95Å; S334-Q337 PolarHBondContact OG-N 3.21Å; Q337-E340 PolarHBondContact O-N 3.15Å; Q337-M341 PolarHBondContact O-N 3.33Å
338	S	98.3	Very high	97.8	Very high	12 Å²	12	62 Å²	62	8%	0.084	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-48.5	176.1	-169.9	0	0	0	0	110.6	K207 S334 E336 M341 D342	K207-S338 PolarHBondContact NZ-OG 3.35Å; S334-S338 WeakPolarHBondContact O-CB 3.2Å; S334-S338 PolarHBondContact O-N 2.65Å; E336-S338 VanDerWaalsContact C-N 3.26Å; E336-S338 PolarHBondContact O-N 3.02Å; S338-M341 PolarHBondContact O-N 3.02Å; S338-D342 PolarHBondContact O-N 2.9Å
339	R	98.2	Very high	97.9	Very high	135 Å²	135	61.9 Å²	61.9	51%	0.509	30%	0.298	S	S	.	.	H	α-helix	trans	-63.5	-42	177.3	-169.7	-175.2	-58.2	122.9	6	112.6	P335 E336 M341 D342 E343	P335-R339 PolarHBondContact O-N 3.44Å; E336-R339 PolarHBondContact O-N 3.07Å; R339-M341 VanDerWaalsContact C-N 3.32Å; R339-M341 PolarHBondContact O-N 3.02Å; R339-D342 WeakPolarHBondContact O-CB 3.13Å; R339-D342 PolarHBondContact O-N 3.14Å; R339-E343 WeakPolarHBondContact O-CG 3.18Å; R339-E343 PolarHBondContact O-N 3.2Å
340	E	98.6	Very high	97.9	Very high	93 Å²	93	64.1 Å²	64.1	44%	0.435	32%	0.317	S	S	.	.	H	α-helix	trans	-61.8	-41.7	178.2	-170.3	-175.8	154	0	0	111.5	F232 M236 E336 Q337 E343 A344	F232-E340 WeakPolarHBondContact CE1-OE2 3.5Å; F232-E340 HydrophobicContact CZ-CB 4.29Å; M236-E340 HydrophobicContact CE-CG 4.24Å; E336-E340 PolarHBondContact O-N 3.25Å; Q337-E340 PolarHBondContact O-N 3.15Å; E340-E343 PolarHBondContact O-N 2.69Å; E340-A344 WeakPolarHBondContact O-CB 3.01Å; E340-A344 PolarHBondContact O-N 3.33Å
341	M	98.6	Very high	97.9	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-65.5	-39.9	173.7	-177.5	66.2	74.6	0	0	112.1	P206 K207 L210 F235 M236 F246 F333 Q337 S338 R339 A344 F345 Y360	P206-M341 HydrophobicContact CB-CE 4.4Å; P206-M341 HydrophobicContact CB-SD 3.84Å; P206-M341 HydrophobicContact CG-CG 4.47Å; P206-M341 HydrophobicContact CG-SD 4.06Å; K207-M341 HydrophobicContact CG-CB 4.43Å; K207-M341 HydrophobicContact CG-CG 3.71Å; L210-M341 HydrophobicContact CD1-CE 3.63Å; F235-M341 HydrophobicContact CD1-CE 4.12Å; F235-M341 HydrophobicContact CE1-CE 3.89Å; M236-M341 HydrophobicContact CE-SD 4.35Å; M236-M341 HydrophobicContact SD-CE 3.41Å; M236-M341 WeakPolarHBondContact SD-CE 3.43Å; M236-M341 HydrophobicContact SD-SD 3.86Å; F246-M341 HydrophobicContact CE2-SD 4.18Å; F246-M341 HydrophobicContact CZ-SD 3.64Å; F333-M341 HydrophobicContact CE1-CB 4.09Å; F333-M341 HydrophobicContact CE1-CE 4.37Å; F333-M341 HydrophobicContact CE1-CG 4.43Å; F333-M341 HydrophobicContact CZ-CE 4.29Å; Q337-M341 PolarHBondContact O-N 3.33Å; S338-M341 PolarHBondContact O-N 3.02Å; R339-M341 VanDerWaalsContact C-N 3.32Å; R339-M341 PolarHBondContact O-N 3.02Å; M341-A344 PolarHBondContact O-N 2.85Å; M341-F345 WeakPolarHBondContact O-CB 3.38Å; M341-F345 PolarHBondContact O-N 3.31Å; M341-Y360 PolarHBondContact O-OH 3.13Å
342	D	98.4	Very high	98	Very high	23 Å²	23	59.2 Å²	59.2	12%	0.123	32%	0.321	C	S	.	.	H	α-helix	trans	-61.1	-46.3	176.6	-67.7	-16	0	0	0	110.9	K207 S338 R339 A344 F345 N346 Y360 Q365	K207-D342 WeakPolarHBondContact CE-OD1 3.05Å; K207-D342 IonicContact NZ-OD1 3.57Å; K207-D342 PolarHBondContact NZ-OD1 3.39Å; K207-D342 IonicContact NZ-OD2 3.99Å; S338-D342 PolarHBondContact O-N 2.9Å; R339-D342 WeakPolarHBondContact O-CB 3.13Å; R339-D342 PolarHBondContact O-N 3.14Å; D342-A344 PolarHBondContact O-N 3.31Å; D342-F345 PolarHBondContact O-N 3.27Å; D342-N346 VanDerWaalsContact O-CB 3.32Å; D342-N346 WeakPolarHBondContact O-CB 3.49Å; D342-N346 VanDerWaalsContact O-CG 3.22Å; D342-N346 PolarHBondContact O-N 3.36Å; D342-N346 PolarHBondContact O-ND2 3.03Å; D342-N346 VanDerWaalsContact O-ND2 3.08Å; D342-Y360 WeakPolarHBondContact CA-OH 3.18Å; D342-Y360 PolarHBondContact N-OH 3.26Å; D342-Y360 VanDerWaalsContact OD1-CE1 3.3Å; D342-Y360 WeakPolarHBondContact OD1-CE1 3.32Å; D342-Y360 PolarHBondContact OD1-OH 3.03Å; D342-Q365 PolarHBondContact OD1-NE2 2.93Å; D342-Q365 VanDerWaalsContact OD1-NE2 3.12Å; D342-Q365 PolarHBondContact OD2-NE2 3.33Å
343	E	98.4	Very high	98.1	Very high	120 Å²	120	61.8 Å²	61.8	56%	0.561	33%	0.332	S	S	*	.	H	α-helix	trans	-61.7	-43.8	176.8	-73.2	175.6	-165.7	0	0	111.7	R339 E340 N346 K347	R339-E343 WeakPolarHBondContact O-CG 3.18Å; R339-E343 PolarHBondContact O-N 3.2Å; E340-E343 PolarHBondContact O-N 2.69Å; E343-N346 PolarHBondContact O-N 3.04Å; E343-K347 WeakPolarHBondContact O-CB 3.36Å; E343-K347 PolarHBondContact O-N 3.11Å
344	A	98.5	Very high	98.1	Very high	17 Å²	17	60.9 Å²	60.9	14%	0.14	33%	0.328	C	S	.	.	H	α-helix	trans	-64.1	-43.1	176.9	0	0	0	0	0	112.3	M236 F246 E340 M341 D342 K347 K348	M236-A344 HydrophobicContact CE-CB 3.47Å; M236-A344 VanDerWaalsContact CE-CB 3.47Å; F246-A344 HydrophobicContact CE1-CB 4.46Å; F246-A344 HydrophobicContact CE2-CB 3.94Å; F246-A344 HydrophobicContact CZ-CB 3.71Å; E340-A344 WeakPolarHBondContact O-CB 3.01Å; E340-A344 PolarHBondContact O-N 3.33Å; M341-A344 PolarHBondContact O-N 2.85Å; D342-A344 PolarHBondContact O-N 3.31Å; A344-K347 PolarHBondContact O-N 2.99Å; A344-K348 WeakPolarHBondContact O-CB 3.49Å; A344-K348 WeakPolarHBondContact O-CG 3.49Å; A344-K348 PolarHBondContact O-N 3.33Å
345	F	98.5	Very high	98.1	Very high	8 Å²	8	59.3 Å²	59.3	4%	0.035	32%	0.318	C	S	.	.	H	α-helix	trans	-62.7	-48.5	175.8	-178.7	-87.8	0	0	0	111.2	P206 F246 M341 D342 K347 K348 L349 A350 L358 Y360	P206-F345 HydrophobicContact CG-CD2 4.26Å; F246-F345 HydrophobicContact CE1-CB 4.35Å; M341-F345 WeakPolarHBondContact O-CB 3.38Å; M341-F345 PolarHBondContact O-N 3.31Å; D342-F345 PolarHBondContact O-N 3.27Å; F345-K347 VanDerWaalsContact C-N 3.29Å; F345-K347 PolarHBondContact O-N 3.11Å; F345-K348 PolarHBondContact O-N 2.97Å; F345-L349 HydrophobicContact CD2-CB 3.94Å; F345-L349 HydrophobicContact CD2-CD1 3.88Å; F345-L349 HydrophobicContact CD2-CG 4.48Å; F345-L349 HydrophobicContact CE2-CB 3.7Å; F345-L349 HydrophobicContact CE2-CD1 3.81Å; F345-L349 HydrophobicContact CE2-CG 4.41Å; F345-L349 HydrophobicContact CG-CB 4.46Å; F345-L349 HydrophobicContact CZ-CB 4Å; F345-L349 WeakPolarHBondContact O-CA 3.25Å; F345-L349 PolarHBondContact O-N 3.45Å; F345-A350 PolarHBondContact O-N 2.97Å; F345-A350 VanDerWaalsContact O-N 3.12Å; F345-L358 HydrophobicContact CE2-CD1 4Å; F345-Y360 HydrophobicContact CB-CD2 4.19Å; F345-Y360 HydrophobicContact CB-CE1 4.23Å; F345-Y360 HydrophobicContact CB-CE2 3.7Å; F345-Y360 AromaticContact CD1-CD1 3.72Å; F345-Y360 HydrophobicContact CD1-CD1 3.72Å; F345-Y360 AromaticContact CD1-CD2 3.72Å; F345-Y360 HydrophobicContact CD1-CD2 3.72Å; F345-Y360 HydrophobicContact CD1-CE1 4.11Å; F345-Y360 HydrophobicContact CD1-CE2 4.09Å; F345-Y360 AromaticContact CD1-CG 3.5Å; F345-Y360 HydrophobicContact CD1-CG 3.5Å; F345-Y360 VanDerWaalsContact CD1-CG 3.5Å; F345-Y360 AromaticContact CD2-CD2 3.31Å; F345-Y360 HydrophobicContact CD2-CD2 3.31Å; F345-Y360 AromaticContact CD2-CE2 3.55Å; F345-Y360 HydrophobicContact CD2-CE2 3.55Å; F345-Y360 AromaticContact CD2-CG 3.97Å; F345-Y360 HydrophobicContact CD2-CG 3.97Å; F345-Y360 HydrophobicContact CE1-CD1 4.06Å; F345-Y360 AromaticContact CE1-CD2 3.9Å; F345-Y360 HydrophobicContact CE1-CD2 3.9Å; F345-Y360 AromaticContact CE1-CG 3.51Å; F345-Y360 HydrophobicContact CE1-CG 3.51Å; F345-Y360 AromaticContact CE2-CD2 3.5Å; F345-Y360 HydrophobicContact CE2-CD2 3.5Å; F345-Y360 VanDerWaalsContact CE2-CD2 3.5Å; F345-Y360 HydrophobicContact CE2-CE2 4.2Å; F345-Y360 AromaticContact CE2-CG 3.96Å; F345-Y360 HydrophobicContact CE2-CG 3.96Å; F345-Y360 HydrophobicContact CG-CD1 4.12Å; F345-Y360 AromaticContact CG-CD2 3.44Å; F345-Y360 HydrophobicContact CG-CD2 3.44Å; F345-Y360 VanDerWaalsContact CG-CD2 3.44Å; F345-Y360 HydrophobicContact CG-CE1 4.18Å; F345-Y360 AromaticContact CG-CE2 3.48Å; F345-Y360 HydrophobicContact CG-CE2 3.48Å; F345-Y360 VanDerWaalsContact CG-CE2 3.48Å; F345-Y360 AromaticContact CG-CG 3.75Å; F345-Y360 HydrophobicContact CG-CG 3.75Å; F345-Y360 AromaticContact CG-CZ 3.85Å; F345-Y360 AromaticContact CZ-CD2 3.8Å; F345-Y360 HydrophobicContact CZ-CD2 3.8Å; F345-Y360 AromaticContact CZ-CG 3.75Å; F345-Y360 HydrophobicContact CZ-CG 3.75Å
346	N	98.2	Very high	98.1	Very high	80 Å²	80	58.8 Å²	58.8	43%	0.428	32%	0.321	S	S	.	.	H	α-helix	trans	-61.2	-40	179.2	-73.7	-33.7	0	0	0	111.8	D342 E343 A350	D342-N346 VanDerWaalsContact O-CB 3.32Å; D342-N346 WeakPolarHBondContact O-CB 3.49Å; D342-N346 VanDerWaalsContact O-CG 3.22Å; D342-N346 PolarHBondContact O-N 3.36Å; D342-N346 PolarHBondContact O-ND2 3.03Å; D342-N346 VanDerWaalsContact O-ND2 3.08Å; E343-N346 PolarHBondContact O-N 3.04Å; N346-A350 WeakPolarHBondContact O-CB 2.98Å
347	K	98.4	Very high	98.1	Very high	184 Å²	184	55.9 Å²	55.9	80%	0.8	31%	0.307	S	S	*	.	H	α-helix	trans	-68.6	-38.2	178.5	-177.9	175.9	178.8	178.3	0	113.1	E343 A344 F345	E343-K347 WeakPolarHBondContact O-CB 3.36Å; E343-K347 PolarHBondContact O-N 3.11Å; A344-K347 PolarHBondContact O-N 2.99Å; F345-K347 VanDerWaalsContact C-N 3.29Å; F345-K347 PolarHBondContact O-N 3.11Å
348	K	98.1	Very high	98	Very high	72 Å²	72	55 Å²	55	31%	0.313	30%	0.303	S	S	.	.	H	α-helix	trans	-102.9	-37.7	-168.8	-64.9	-172.1	179	-171.8	0	114	F246 D247 L250 A344 F345	F246-K348 HydrophobicContact CB-CB 4.48Å; F246-K348 HydrophobicContact CB-CD 3.42Å; F246-K348 VanDerWaalsContact CB-CD 3.42Å; F246-K348 HydrophobicContact CD1-CB 4.13Å; F246-K348 HydrophobicContact CD1-CD 4.03Å; F246-K348 HydrophobicContact CD2-CD 4.15Å; F246-K348 HydrophobicContact CG-CD 3.62Å; D247-K348 IonicContact OD1-NZ 2.72Å; L250-K348 HydrophobicContact CD1-CB 4.46Å; L250-K348 WeakPolarHBondContact CD2-O 3.26Å; A344-K348 WeakPolarHBondContact O-CB 3.49Å; A344-K348 WeakPolarHBondContact O-CG 3.49Å; A344-K348 PolarHBondContact O-N 3.33Å; F345-K348 PolarHBondContact O-N 2.97Å
349	L	98.2	Very high	97.9	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-20.1	-169.1	-67	177.9	0	0	0	114.2	Y245 F246 A249 L250 F345 G351 T352 G355 L358	Y245-L349 HydrophobicContact CE1-CD1 4.14Å; F246-L349 HydrophobicContact CD1-CD1 3.8Å; F246-L349 HydrophobicContact CD1-CG 4.12Å; F246-L349 HydrophobicContact CE1-CD1 4.17Å; A249-L349 HydrophobicContact CB-CD1 3.98Å; A249-L349 HydrophobicContact CB-CD2 3.9Å; L250-L349 HydrophobicContact CD2-CD2 4.02Å; L250-L349 HydrophobicContact CG-CD2 4.05Å; F345-L349 HydrophobicContact CD2-CB 3.94Å; F345-L349 HydrophobicContact CD2-CD1 3.88Å; F345-L349 HydrophobicContact CD2-CG 4.48Å; F345-L349 HydrophobicContact CE2-CB 3.7Å; F345-L349 HydrophobicContact CE2-CD1 3.81Å; F345-L349 HydrophobicContact CE2-CG 4.41Å; F345-L349 HydrophobicContact CG-CB 4.46Å; F345-L349 HydrophobicContact CZ-CB 4Å; F345-L349 WeakPolarHBondContact O-CA 3.25Å; F345-L349 PolarHBondContact O-N 3.45Å; L349-G351 PolarHBondContact O-N 3.36Å; L349-T352 WeakPolarHBondContact O-CB 3.49Å; L349-T352 WeakPolarHBondContact O-CG2 3.44Å; L349-T352 PolarHBondContact O-N 3.35Å; L349-T352 PolarHBondContact O-OG1 3.14Å; L349-G355 WeakPolarHBondContact O-CA 3.1Å; L349-L358 HydrophobicContact CD1-CD1 4.27Å
350	A	96.8	Very high	97.8	Very high	51 Å²	51	51.1 Å²	51.1	42%	0.421	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	137.4	174.9	0	0	0	0	0	111.1	F345 N346 T352	F345-A350 PolarHBondContact O-N 2.97Å; F345-A350 VanDerWaalsContact O-N 3.12Å; N346-A350 WeakPolarHBondContact O-CB 2.98Å; A350-T352 PolarHBondContact O-N 3.27Å
351	G	96.8	Very high	97.6	Very high	91 Å²	91	52.4 Å²	52.4	94%	0.938	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	-5.4	-175.1	0	0	0	0	0	115.3	L349	L349-G351 PolarHBondContact O-N 3.36Å
352	T	98.3	Very high	97.5	Very high	26 Å²	26	58.9 Å²	58.9	16%	0.16	32%	0.321	C	S	.	.	S	Bend	trans	-85.6	160.5	172.7	72.8	0	0	0	0	111.6	L250 N253 L349 A350 L354 G355 A356	L250-T352 HydrophobicContact CD2-CG2 4.44Å; N253-T352 WeakPolarHBondContact OD1-CB 3.38Å; L349-T352 WeakPolarHBondContact O-CB 3.49Å; L349-T352 WeakPolarHBondContact O-CG2 3.44Å; L349-T352 PolarHBondContact O-N 3.35Å; L349-T352 PolarHBondContact O-OG1 3.14Å; A350-T352 PolarHBondContact O-N 3.27Å; T352-L354 VanDerWaalsContact C-N 3.34Å; T352-G355 PolarHBondContact O-N 2.94Å; T352-G355 PolarHBondContact OG1-N 3.31Å; T352-A356 PolarHBondContact O-N 3.31Å
353	K	98.1	Very high	97.3	Very high	105 Å²	105	58.8 Å²	58.8	46%	0.457	32%	0.32	S	S	.	.	H	α-helix	trans	-63.1	-42.9	176.6	-67.7	177.5	178.7	174.2	0	111	N253 M256 D257 A356 K357	N253-K353 PolarHBondContact OD1-N 2.77Å; M256-K353 HydrophobicContact CE-CB 3.94Å; M256-K353 HydrophobicContact SD-CB 3.79Å; D257-K353 IonicContact OD1-NZ 2.57Å; D257-K353 PolarHBondContact OD1-NZ 3.12Å; D257-K353 IonicContact OD2-NZ 2.66Å; D257-K353 PolarHBondContact OD2-NZ 2.85Å; K353-A356 PolarHBondContact O-N 3.33Å; K353-K357 WeakPolarHBondContact O-CB 3.34Å; K353-K357 PolarHBondContact O-N 2.96Å
354	L	98.2	Very high	97.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-66	-42	176	-178.7	57	0	0	0	111.7	F203 A249 N253 M256 V263 T352 A356 K357 L358	F203-L354 HydrophobicContact CB-CD1 4.18Å; F203-L354 HydrophobicContact CD1-CD2 4.22Å; F203-L354 HydrophobicContact CD2-CD1 3.74Å; F203-L354 HydrophobicContact CD2-CD2 3.93Å; F203-L354 HydrophobicContact CE1-CD2 4.1Å; F203-L354 HydrophobicContact CE2-CD1 4.34Å; F203-L354 HydrophobicContact CE2-CD2 3.77Å; F203-L354 HydrophobicContact CG-CD1 3.96Å; F203-L354 HydrophobicContact CG-CD2 4.15Å; F203-L354 HydrophobicContact CZ-CD2 3.89Å; A249-L354 HydrophobicContact CB-CD2 3.63Å; A249-L354 WeakPolarHBondContact O-CD2 3.26Å; N253-L354 HydrophobicContact CB-CB 3.84Å; N253-L354 HydrophobicContact CB-CD2 4.43Å; N253-L354 PolarHBondContact OD1-N 2.98Å; M256-L354 HydrophobicContact SD-CB 3.79Å; V263-L354 HydrophobicContact CG1-CD1 3.86Å; T352-L354 VanDerWaalsContact C-N 3.34Å; L354-A356 VanDerWaalsContact C-N 3.32Å; L354-A356 PolarHBondContact O-N 3.12Å; L354-K357 PolarHBondContact O-N 2.8Å; L354-K357 VanDerWaalsContact O-N 3.11Å; L354-L358 HydrophobicContact CD1-CD1 4.43Å; L354-L358 HydrophobicContact CD1-CG 4.24Å; L354-L358 HydrophobicContact CG-CD1 4.12Å; L354-L358 HydrophobicContact CG-CG 4.41Å; L354-L358 WeakPolarHBondContact O-CG 3.48Å; L354-L358 PolarHBondContact O-N 3.17Å
355	G	97.8	Very high	96.5	Very high	7 Å²	7	55.3 Å²	55.3	7%	0.072	30%	0.301	C	S	.	.	H	α-helix	trans	-60.1	-41.4	176.7	0	0	0	0	0	112.6	L349 T352	L349-G355 WeakPolarHBondContact O-CA 3.1Å; T352-G355 PolarHBondContact O-N 2.94Å; T352-G355 PolarHBondContact OG1-N 3.31Å
356	A	97.8	Very high	94.9	Very high	80 Å²	80	63.5 Å²	63.5	66%	0.661	35%	0.345	S	S	*	.	H	α-helix	trans	-63.6	-42	172.5	0	0	0	0	0	111.8	T352 K353 L354 L358 D359	T352-A356 PolarHBondContact O-N 3.31Å; K353-A356 PolarHBondContact O-N 3.33Å; L354-A356 VanDerWaalsContact C-N 3.32Å; L354-A356 PolarHBondContact O-N 3.12Å; A356-L358 VanDerWaalsContact C-N 3.35Å; A356-L358 PolarHBondContact O-N 3.41Å; A356-D359 PolarHBondContact O-N 3.43Å
357	K	97.2	Very high	94.8	Very high	51 Å²	51	62.7 Å²	62.7	22%	0.222	34%	0.341	C	S	.	.	H	α-helix	trans	-68.8	-30.3	-179.8	-169.4	166.2	177.4	45.1	0	113.8	M256 V263 T265 D268 K353 L354 D359	M256-K357 HydrophobicContact CE-CD 4.44Å; V263-K357 HydrophobicContact CG1-CD 4.28Å; V263-K357 WeakPolarHBondContact O-CE 3.27Å; T265-K357 HydrophobicContact CG2-CD 4.47Å; T265-K357 HydrophobicContact CG2-CG 3.88Å; D268-K357 IonicContact OD2-NZ 2.74Å; D268-K357 PolarHBondContact OD2-NZ 3.28Å; K353-K357 WeakPolarHBondContact O-CB 3.34Å; K353-K357 PolarHBondContact O-N 2.96Å; L354-K357 PolarHBondContact O-N 2.8Å; L354-K357 VanDerWaalsContact O-N 3.11Å; K357-D359 PolarHBondContact O-N 3.1Å
358	L	97.6	Very high	94.6	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-13.7	176.2	-80.7	170.5	0	0	0	113.6	F203 T265 F345 L349 L354 A356 Y360	F203-L358 HydrophobicContact CB-CD2 4.01Å; T265-L358 HydrophobicContact CG2-CD2 4.16Å; F345-L358 HydrophobicContact CE2-CD1 4Å; L349-L358 HydrophobicContact CD1-CD1 4.27Å; L354-L358 HydrophobicContact CD1-CD1 4.43Å; L354-L358 HydrophobicContact CD1-CG 4.24Å; L354-L358 HydrophobicContact CG-CD1 4.12Å; L354-L358 HydrophobicContact CG-CG 4.41Å; L354-L358 WeakPolarHBondContact O-CG 3.48Å; L354-L358 PolarHBondContact O-N 3.17Å; A356-L358 VanDerWaalsContact C-N 3.35Å; A356-L358 PolarHBondContact O-N 3.41Å; L358-Y360 VanDerWaalsContact C-N 3.27Å; L358-Y360 PolarHBondContact O-N 3.33Å
359	D	96	Very high	94.4	Very high	59 Å²	59	55.4 Å²	55.4	32%	0.316	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	42.9	53.6	-179.2	-164.7	0.7	0	0	0	112.7	A356 K357 Q361 R362 H363	A356-D359 PolarHBondContact O-N 3.43Å; K357-D359 PolarHBondContact O-N 3.1Å; D359-Q361 PolarHBondContact O-N 3.48Å; D359-R362 HydrophobicContact CB-CB 4.36Å; D359-R362 PolarHBondContact O-N 2.91Å; D359-R362 VanDerWaalsContact O-N 3.07Å; D359-R362 VanDerWaalsContact OD1-CB 3.26Å; D359-R362 WeakPolarHBondContact OD1-CB 3.46Å; D359-R362 PolarHBondContact OD1-N 3.4Å; D359-R362 VanDerWaalsContact OD2-CB 3.31Å; D359-R362 WeakPolarHBondContact OD2-CB 3.44Å; D359-R362 WeakPolarHBondContact OD2-CD 3.08Å; D359-H363 PolarHBondContact O-CD2 3.18Å; D359-H363 VanDerWaalsContact O-CD2 3.26Å; D359-H363 PolarHBondContact O-N 2.93Å; D359-H363 VanDerWaalsContact O-N 3.12Å
360	Y	96.3	Very high	94.2	Very high	6 Å²	6	58.6 Å²	58.6	2%	0.024	34%	0.335	C	S	.	.	H	α-helix	trans	-58.7	-36.5	-171	-169.6	-92.3	0	0	0	113.1	P206 K207 M341 D342 F345 L358 R362 H363 C364	P206-Y360 HydrophobicContact CG-CD2 4.21Å; P206-Y360 HydrophobicContact CG-CE2 3.6Å; K207-Y360 VanDerWaalsContact CE-OH 3.27Å; K207-Y360 WeakPolarHBondContact CE-OH 3.5Å; M341-Y360 PolarHBondContact O-OH 3.13Å; D342-Y360 WeakPolarHBondContact CA-OH 3.18Å; D342-Y360 PolarHBondContact N-OH 3.26Å; D342-Y360 VanDerWaalsContact OD1-CE1 3.3Å; D342-Y360 WeakPolarHBondContact OD1-CE1 3.32Å; D342-Y360 PolarHBondContact OD1-OH 3.03Å; F345-Y360 HydrophobicContact CB-CD2 4.19Å; F345-Y360 HydrophobicContact CB-CE1 4.23Å; F345-Y360 HydrophobicContact CB-CE2 3.7Å; F345-Y360 AromaticContact CD1-CD1 3.72Å; F345-Y360 HydrophobicContact CD1-CD1 3.72Å; F345-Y360 AromaticContact CD1-CD2 3.72Å; F345-Y360 HydrophobicContact CD1-CD2 3.72Å; F345-Y360 HydrophobicContact CD1-CE1 4.11Å; F345-Y360 HydrophobicContact CD1-CE2 4.09Å; F345-Y360 AromaticContact CD1-CG 3.5Å; F345-Y360 HydrophobicContact CD1-CG 3.5Å; F345-Y360 VanDerWaalsContact CD1-CG 3.5Å; F345-Y360 AromaticContact CD2-CD2 3.31Å; F345-Y360 HydrophobicContact CD2-CD2 3.31Å; F345-Y360 AromaticContact CD2-CE2 3.55Å; F345-Y360 HydrophobicContact CD2-CE2 3.55Å; F345-Y360 AromaticContact CD2-CG 3.97Å; F345-Y360 HydrophobicContact CD2-CG 3.97Å; F345-Y360 HydrophobicContact CE1-CD1 4.06Å; F345-Y360 AromaticContact CE1-CD2 3.9Å; F345-Y360 HydrophobicContact CE1-CD2 3.9Å; F345-Y360 AromaticContact CE1-CG 3.51Å; F345-Y360 HydrophobicContact CE1-CG 3.51Å; F345-Y360 AromaticContact CE2-CD2 3.5Å; F345-Y360 HydrophobicContact CE2-CD2 3.5Å; F345-Y360 VanDerWaalsContact CE2-CD2 3.5Å; F345-Y360 HydrophobicContact CE2-CE2 4.2Å; F345-Y360 AromaticContact CE2-CG 3.96Å; F345-Y360 HydrophobicContact CE2-CG 3.96Å; F345-Y360 HydrophobicContact CG-CD1 4.12Å; F345-Y360 AromaticContact CG-CD2 3.44Å; F345-Y360 HydrophobicContact CG-CD2 3.44Å; F345-Y360 VanDerWaalsContact CG-CD2 3.44Å; F345-Y360 HydrophobicContact CG-CE1 4.18Å; F345-Y360 AromaticContact CG-CE2 3.48Å; F345-Y360 HydrophobicContact CG-CE2 3.48Å; F345-Y360 VanDerWaalsContact CG-CE2 3.48Å; F345-Y360 AromaticContact CG-CG 3.75Å; F345-Y360 HydrophobicContact CG-CG 3.75Å; F345-Y360 AromaticContact CG-CZ 3.85Å; F345-Y360 AromaticContact CZ-CD2 3.8Å; F345-Y360 HydrophobicContact CZ-CD2 3.8Å; F345-Y360 AromaticContact CZ-CG 3.75Å; F345-Y360 HydrophobicContact CZ-CG 3.75Å; L358-Y360 VanDerWaalsContact C-N 3.27Å; L358-Y360 PolarHBondContact O-N 3.33Å; Y360-R362 VanDerWaalsContact C-N 3.32Å; Y360-R362 PolarHBondContact O-N 2.74Å; Y360-H363 PolarHBondContact O-N 2.82Å; Y360-C364 HydrophobicContact CD1-CB 3.85Å; Y360-C364 HydrophobicContact CD2-CB 3.79Å; Y360-C364 HydrophobicContact CE1-CB 3.64Å; Y360-C364 HydrophobicContact CE2-CB 3.59Å; Y360-C364 HydrophobicContact CG-CB 3.93Å; Y360-C364 WeakPolarHBondContact O-CA 3.49Å; Y360-C364 VanDerWaalsContact O-CB 3.26Å; Y360-C364 WeakPolarHBondContact O-CB 3.34Å; Y360-C364 PolarHBondContact O-N 2.98Å
361	Q	93.8	Very high	94	Very high	119 Å²	119	59.1 Å²	59.1	56%	0.556	33%	0.33	S	S	*	.	H	α-helix	trans	-61.6	-42.9	178.1	-67.7	-65.5	-37.7	0	0	110.9	D359 Q365	D359-Q361 PolarHBondContact O-N 3.48Å; Q361-Q365 WeakPolarHBondContact O-CB 3.39Å
362	R	95.2	Very high	93.8	Very high	136 Å²	136	57 Å²	57	51%	0.513	29%	0.29	S	S	.	.	H	α-helix	trans	-70.4	-36.5	178.8	-174.5	178.6	179.4	-161.7	-6.9	113.4	D359 Y360	D359-R362 HydrophobicContact CB-CB 4.36Å; D359-R362 PolarHBondContact O-N 2.91Å; D359-R362 VanDerWaalsContact O-N 3.07Å; D359-R362 VanDerWaalsContact OD1-CB 3.26Å; D359-R362 WeakPolarHBondContact OD1-CB 3.46Å; D359-R362 PolarHBondContact OD1-N 3.4Å; D359-R362 VanDerWaalsContact OD2-CB 3.31Å; D359-R362 WeakPolarHBondContact OD2-CB 3.44Å; D359-R362 WeakPolarHBondContact OD2-CD 3.08Å; Y360-R362 VanDerWaalsContact C-N 3.32Å; Y360-R362 PolarHBondContact O-N 2.74Å
363	H	95.2	Very high	93.5	Very high	22 Å²	22	59.2 Å²	59.2	10%	0.102	30%	0.299	C	S	.	.	H	α-helix	trans	-102.5	-19.6	-168.6	-61.9	-53.2	0	0	0	114.8	N205 V326 W329 D359 Y360	N205-H363 HydrophobicContact CB-CB 4.4Å; V326-H363 HydrophobicContact CG1-CB 4.29Å; W329-H363 PolarHBondContact NE1-O 2.95Å; D359-H363 PolarHBondContact O-CD2 3.18Å; D359-H363 VanDerWaalsContact O-CD2 3.26Å; D359-H363 PolarHBondContact O-N 2.93Å; D359-H363 VanDerWaalsContact O-N 3.12Å; Y360-H363 PolarHBondContact O-N 2.82Å
364	C	93.4	Very high	93.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-124.7	-2.6	-172.6	-66.3	0	0	0	0	115	N205 K207 W329 Y360	N205-C364 VanDerWaalsContact CB-SG 3.58Å; N205-C364 PolarHBondContact OD1-SG 2.77Å; N205-C364 VanDerWaalsContact OD1-SG 3.35Å; K207-C364 HydrophobicContact CD-CB 3.89Å; K207-C364 HydrophobicContact CG-CB 4.37Å; K207-C364 PolarHBondContact NZ-O 3.04Å; W329-C364 VanDerWaalsContact CH2-O 3.24Å; W329-C364 WeakPolarHBondContact CH2-O 3.35Å; W329-C364 WeakPolarHBondContact CZ2-O 3.5Å; Y360-C364 HydrophobicContact CD1-CB 3.85Å; Y360-C364 HydrophobicContact CD2-CB 3.79Å; Y360-C364 HydrophobicContact CE1-CB 3.64Å; Y360-C364 HydrophobicContact CE2-CB 3.59Å; Y360-C364 HydrophobicContact CG-CB 3.93Å; Y360-C364 WeakPolarHBondContact O-CA 3.49Å; Y360-C364 VanDerWaalsContact O-CB 3.26Å; Y360-C364 WeakPolarHBondContact O-CB 3.34Å; Y360-C364 PolarHBondContact O-N 2.98Å
365	Q	86.9	Confident	92.7	Very high	63 Å²	63	60.3 Å²	60.3	29%	0.294	31%	0.311	S	S	.	.			trans	-99.1	149.8	171	-62.8	-66.7	-52	0	0	110.8	R330 D342 Q361	R330-Q365 PolarHBondContact NH1-O 2.98Å; R330-Q365 VanDerWaalsContact NH1-O 3.11Å; R330-Q365 PolarHBondContact NH2-O 2.96Å; D342-Q365 PolarHBondContact OD1-NE2 2.93Å; D342-Q365 VanDerWaalsContact OD1-NE2 3.12Å; D342-Q365 PolarHBondContact OD2-NE2 3.33Å; Q361-Q365 WeakPolarHBondContact O-CB 3.39Å
366	D	65.4	Low	92.2	Very high	180 Å²	180	65.2 Å²	65.2	96%	0.963	33%	0.332	S	S	*	.			trans	-66.3	0	177.2	-72.1	-40.2	0	0	0	114.2	R330	R330-D366 IonicContact CZ-OD1 3.12Å; R330-D366 IonicContact NH1-OD1 2.64Å; R330-D366 PolarHBondContact NH1-OD1 2.96Å

Retrieved 366 of 366 residues in 124 ms (Link to these results)

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