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Phosphatidylinositol-3,5-bisphosphate 3-phosphatase MTMR2

Lipid phosphatase that specifically dephosphorylates the D-3 position of phosphatidylinositol 3-phosphate and phosphatidylinositol 3,5-bisphosphate, generating phosphatidylinositol and phosphatidylinositol 5-phosphate. Regulates the level of these phosphoinositides critical for various biological processes including autophagy initiation and autophagosome maturation.

AlphaFold DB , UniProt , Accession A0A2K5LV85, Species CERAT (Cercocebus atys, Sooty mangabey), Gene MTMR2, Length 643 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	32.4	Very low	242 Å²	242	142.9 Å²	142.9	100%	1.192	82%	0.822	S	S	*	*				0	110.5	0	-66.5	161.6	169.5	0	0	106.2
2	E	37.6	Very low	32.2	Very low	193 Å²	193	141.6 Å²	141.6	90%	0.902	83%	0.827	S	S	*	*			cis	-136.6	165.6	-7	-76.1	-177.1	120.4	0	0	109.8
3	K	35.1	Very low	32.1	Very low	207 Å²	207	144.8 Å²	144.8	90%	0.9	83%	0.83	S	S	*	*			trans	-129.3	134.5	176.9	-89.3	-175	172.1	-176.6	0	109.3
4	S	33.9	Very low	32.9	Very low	116 Å²	116	143 Å²	143	81%	0.811	83%	0.826	S	S	*	*			trans	-174.1	150.5	157.3	45.5	0	0	0	0	108.1
5	S	31.8	Very low	32.7	Very low	104 Å²	104	140.5 Å²	140.5	73%	0.727	83%	0.829	S	S	*	*			cis	-163.6	145.1	-17.6	44.9	0	0	0	0	109.8
6	S	33.2	Very low	32.6	Very low	105 Å²	105	138.6 Å²	138.6	73%	0.734	83%	0.834	S	S	*	*			trans	-9.5	160.3	142.4	48.5	0	0	0	0	119.5
7	C	31.4	Very low	32.5	Very low	97 Å²	97	136.5 Å²	136.5	66%	0.655	84%	0.835	S	S	*	*			cis	-162.9	172.3	15.8	-130.4	0	0	0	0	113.8
8	E	30.7	Very low	32.7	Very low	160 Å²	160	142.4 Å²	142.4	75%	0.748	84%	0.84	S	S	*	*			trans	57.9	123	147.2	-74.5	150.1	-150.6	0	0	121.4
9	S	29.1	Very low	33.2	Very low	98 Å²	98	140.8 Å²	140.8	69%	0.685	83%	0.833	S	S	*	*				70.7	128.6	72.8	95.3	0	0	0	0	113.3
10	L	30.1	Very low	33.3	Very low	176 Å²	176	140 Å²	140	92%	0.921	83%	0.832	S	S	*	*			cis	-155.3	174.8	49.5	-92.2	151.9	0	0	0	111.8
11	G	27.6	Very low	33.2	Very low	74 Å²	74	137.9 Å²	137.9	76%	0.763	83%	0.825	S	S	*	*			trans	-101.6	177	-167.3	0	0	0	0	0	118.1
12	S	29.8	Very low	33.1	Very low	127 Å²	127	132.3 Å²	132.3	89%	0.888	80%	0.804	S	S	*	*			trans	-162.1	141.7	155.1	48.3	0	0	0	0	112.2
13	Q	31.7	Very low	32.8	Very low	184 Å²	184	130.8 Å²	130.8	86%	0.86	80%	0.802	S	S	*	*			trans	-116.4	177.8	168.2	-85	-168.9	-1.6	0	0	107.8
14	P	42.2	Very low	32.5	Very low	119 Å²	119	125.3 Å²	125.3	77%	0.773	79%	0.79	S	S	*	*			cis	-125.9	175.2	-38.7	34.3	-19.3	0	0	0	110.9
15	A	30.2	Very low	32.3	Very low	106 Å²	106	127.6 Å²	127.6	88%	0.876	79%	0.792	S	S	*	*			trans	-138.9	128.1	164.4	0	0	0	0	0	111.2
16	A	31.3	Very low	32.2	Very low	109 Å²	109	126.8 Å²	126.8	90%	0.901	79%	0.786	S	S	*	*			trans	-100	145.1	179.3	0	0	0	0	0	111.2
17	A	31.1	Very low	32	Very low	104 Å²	104	127.1 Å²	127.1	86%	0.86	79%	0.789	S	S	*	*			trans	-138.6	126.2	161.8	0	0	0	0	0	109.3
18	R	35.9	Very low	32	Very low	243 Å²	243	126.8 Å²	126.8	92%	0.917	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-101.6	165.5	174.2	-108.6	-173.4	175.7	-175.5	-0.7	109.7
19	P	42.8	Very low	31.9	Very low	111 Å²	111	124.1 Å²	124.1	72%	0.721	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-85.7	170.3	-164	36.6	-38.5	0	0	0	113.4
20	P	35.6	Very low	31.9	Very low	124 Å²	124	125.8 Å²	125.8	81%	0.805	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-85.5	138.3	159.7	22.3	-9.1	0	0	0	112.2
21	S	30.2	Very low	31.9	Very low	97 Å²	97	122.7 Å²	122.7	68%	0.678	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-64.1	147.4	162.7	52.5	0	0	0	0	110.3
22	V	34.2	Very low	31.9	Very low	125 Å²	125	127.8 Å²	127.8	76%	0.758	80%	0.795	S	S	*	*				39.6	103.9	74.4	-165.1	0	0	0	0	113.2
23	D	29.9	Very low	31.9	Very low	160 Å²	160	126.5 Å²	126.5	86%	0.856	79%	0.786	S	S	*	*			trans	-133.2	151	153.1	-109.5	-39.7	0	0	0	109.7
24	S	30	Very low	31.7	Very low	93 Å²	93	127.2 Å²	127.2	65%	0.65	79%	0.789	S	S	*	*			trans	-117.9	-170.9	-172.3	-63.6	0	0	0	0	110.9
25	L	29.4	Very low	31	Very low	163 Å²	163	128.9 Å²	128.9	85%	0.853	79%	0.792	S	S	*	*			trans	90	142.4	167.7	-52.7	167	0	0	0	116
26	S	29.2	Very low	30.8	Very low	87 Å²	87	129 Å²	129	61%	0.608	79%	0.786	S	S	*	*			cis	-176.3	145.5	-22.8	48.4	0	0	0	0	110.6
27	S	29.7	Very low	30.7	Very low	113 Å²	113	129.2 Å²	129.2	79%	0.79	78%	0.776	S	S	*	*			trans	59.5	157.9	141.1	63.8	0	0	0	0	120.6
28	A	30.7	Very low	30.6	Very low	89 Å²	89	132 Å²	132	74%	0.736	77%	0.771	S	S	*	*			cis	-171.5	160	-20.9	0	0	0	0	0	109.3
29	S	28.7	Very low	30	Very low	105 Å²	105	125.3 Å²	125.3	73%	0.734	76%	0.757	S	S	*	*			trans	-164.8	107.5	150.5	-14.6	0	0	0	0	107.6
30	T	29.3	Very low	29.3	Very low	132 Å²	132	129.3 Å²	129.3	81%	0.81	76%	0.763	S	S	*	*				64.8	133.1	93.2	59	0	0	0	0	114.4
31	S	29.8	Very low	28.8	Very low	112 Å²	112	128.5 Å²	128.5	78%	0.783	76%	0.76	S	S	*	*			cis	-166.1	158.6	0.8	39.3	0	0	0	0	112.3
32	H	28.5	Very low	28.7	Very low	180 Å²	180	128.4 Å²	128.4	83%	0.833	77%	0.766	S	S	*	*			trans	-59.5	136	169.5	-83	-75.4	0	0	0	112
33	S	29.5	Very low	28.4	Very low	100 Å²	100	128.5 Å²	128.5	70%	0.699	77%	0.772	S	S	*	*				99.3	137.7	85.1	71.3	0	0	0	0	113.4
34	E	26.7	Very low	28.3	Very low	199 Å²	199	126.7 Å²	126.7	93%	0.93	77%	0.766	S	S	*	*			trans	-160.9	171.4	137	-119.2	172.2	-161.3	0	0	112.6
35	N	27.8	Very low	28.2	Very low	154 Å²	154	129.5 Å²	129.5	82%	0.824	78%	0.779	S	S	*	*			trans	-119.1	168.4	-151.5	-104	-35.6	0	0	0	114.5
36	S	27.1	Very low	28.1	Very low	109 Å²	109	126.1 Å²	126.1	76%	0.762	77%	0.769	S	S	*	*			trans	81	153.2	150.3	101.9	0	0	0	0	116.8
37	V	28.8	Very low	28.1	Very low	113 Å²	113	126.9 Å²	126.9	69%	0.685	78%	0.775	S	S	*	*			cis	-167.7	169.7	-10	117.1	0	0	0	0	109.8
38	H	27.9	Very low	28.1	Very low	164 Å²	164	128.9 Å²	128.9	76%	0.759	78%	0.776	S	S	*	*			trans	108.6	112.3	152.9	-82.8	-23.8	0	0	0	123.3
39	T	24.8	Very low	28	Very low	102 Å²	102	129.3 Å²	129.3	63%	0.626	77%	0.774	S	S	*	*				80.6	120.6	127.7	54.8	0	0	0	0	124.4
40	K	27.4	Very low	27.8	Very low	194 Å²	194	131.7 Å²	131.7	84%	0.843	78%	0.777	S	S	*	*			trans	65.7	158.3	133.1	-69.1	179.6	178.8	-179.9	0	117.2
41	S	26.1	Very low	27.8	Very low	107 Å²	107	131.1 Å²	131.1	75%	0.748	78%	0.778	S	S	*	*			cis	-178.8	155.9	-18.7	51.3	0	0	0	0	107.9
42	A	28.3	Very low	27.7	Very low	96 Å²	96	132 Å²	132	79%	0.793	78%	0.779	S	S	*	*			cis	-175.8	161.7	-18.6	0	0	0	0	0	107.3
43	S	26.7	Very low	28	Very low	126 Å²	126	129.4 Å²	129.4	88%	0.881	78%	0.781	S	S	*	*			trans	-154.2	147.4	164.3	48.2	0	0	0	0	113.7
44	V	28.8	Very low	28.2	Very low	123 Å²	123	128.4 Å²	128.4	75%	0.745	78%	0.779	S	S	*	*			trans	-128.1	135.8	-174.1	170.1	0	0	0	0	108.1
45	V	27.7	Very low	28.7	Very low	151 Å²	151	124.9 Å²	124.9	92%	0.915	77%	0.767	S	S	*	*			trans	-141.7	136.4	149.9	-169.7	0	0	0	0	108.1
46	S	27.5	Very low	29.2	Very low	92 Å²	92	125.2 Å²	125.2	64%	0.643	77%	0.768	S	S	*	*			trans	-119.1	153.4	-169.9	-48.4	0	0	0	0	112.3
47	S	28.6	Very low	29.8	Very low	104 Å²	104	125.8 Å²	125.8	73%	0.727	76%	0.758	S	S	*	*			trans	174.9	111.3	143.4	49.1	0	0	0	0	107.3
48	D	28.6	Very low	30.5	Very low	154 Å²	154	123 Å²	123	82%	0.824	74%	0.743	S	S	*	*				64.8	135	84.8	-66.9	-31.1	0	0	0	113.5
49	S	28.4	Very low	31.5	Very low	99 Å²	99	120 Å²	120	69%	0.692	74%	0.738	S	S	*	*			cis	-168.3	166.5	-12.6	55.5	0	0	0	0	108.8
50	I	26.5	Very low	32.4	Very low	155 Å²	155	120.5 Å²	120.5	80%	0.795	74%	0.737	S	S	*	*			trans	153.7	102.6	145.5	-79.5	157.6	0	0	0	108.1
51	S	28.6	Very low	32.9	Very low	119 Å²	119	115.6 Å²	115.6	83%	0.832	72%	0.719	S	S	*	*			trans	-96.7	119	169.1	54.8	0	0	0	0	109.8
52	T	27.9	Very low	33.6	Very low	130 Å²	130	116.5 Å²	116.5	80%	0.798	71%	0.706	S	S	*	*			trans	-120	116	158.9	47.8	0	0	0	0	109.4
53	S	34.9	Very low	34.6	Very low	126 Å²	126	116.2 Å²	116.2	88%	0.881	70%	0.695	S	S	*	*			trans	-65.2	130.6	-176.3	46	0	0	0	0	113.4
54	A	32.1	Very low	35.4	Very low	80 Å²	80	115 Å²	115	66%	0.661	68%	0.678	S	S	*	*			trans	-151.1	36.8	168.8	0	0	0	0	0	113.2	N56	A54-N56 PolarHBondContact O-N 2.63Å
55	D	37.3	Very low	35.9	Very low	125 Å²	125	117.8 Å²	117.8	67%	0.668	68%	0.675	S	S	*	*			trans	-92	91.8	170.1	-109.2	-11.3	0	0	0	110.6	R62	D55-R62 IonicContact OD1-CZ 3.57Å; D55-R62 IonicContact OD1-NH2 3.84Å; D55-R62 PolarHBondContact OD1-NH2 3.07Å; D55-R62 IonicContact OD2-NH2 2.77Å
56	N	39.1	Very low	36.8	Very low	160 Å²	160	116.5 Å²	116.5	86%	0.856	66%	0.659	S	S	*	*			trans	-169.7	80.2	154.2	-100	-24.8	0	0	0	109.9	A54	A54-N56 PolarHBondContact O-N 2.63Å
57	F	40.4	Very low	37.9	Very low	122 Å²	122	114.1 Å²	114.1	54%	0.535	64%	0.642	S	S	.	*			trans	-123.6	139.1	164.7	-79.1	-80.3	0	0	0	109	L61	F57-L61 HydrophobicContact CB-CB 4.29Å; F57-L61 HydrophobicContact CD1-CB 4.46Å; F57-L61 HydrophobicContact CD1-CD1 4.3Å; F57-L61 HydrophobicContact CD1-CD2 4.36Å
58	S	43.4	Very low	39	Very low	55 Å²	55	113.3 Å²	113.3	39%	0.385	63%	0.63	S	S	.	*			trans	-51.2	146.5	177.3	179.6	0	0	0	0	111.7	D60 L61 R62	S58-D60 PolarHBondContact O-N 3Å; S58-D60 VanDerWaalsContact O-N 3.14Å; S58-L61 WeakPolarHBondContact O-CB 3.44Å; S58-L61 PolarHBondContact O-N 3.24Å; S58-R62 PolarHBondContact O-N 2.77Å
59	P	49.1	Very low	40	Very low	99 Å²	99	112.4 Å²	112.4	64%	0.643	62%	0.618	S	S	*	*	H	α-helix	trans	-47.3	-40.5	172.6	-29.3	36.1	0	0	0	113.4	L61 R62 V63	P59-L61 VanDerWaalsContact C-N 3.29Å; P59-L61 PolarHBondContact O-N 3.07Å; P59-R62 PolarHBondContact O-N 3.12Å; P59-R62 VanDerWaalsContact O-N 3.11Å; P59-V63 WeakPolarHBondContact O-CG2 3.49Å; P59-V63 PolarHBondContact O-N 2.76Å
60	D	42.8	Very low	41.2	Very low	113 Å²	113	112 Å²	112	60%	0.604	61%	0.608	S	S	*	*	H	α-helix	trans	-59.1	-37.4	177.9	-60.9	-46.9	0	0	0	112.9	S58 V63 L64	S58-D60 PolarHBondContact O-N 3Å; S58-D60 VanDerWaalsContact O-N 3.14Å; D60-V63 PolarHBondContact O-N 2.74Å; D60-L64 WeakPolarHBondContact O-CB 3.49Å; D60-L64 WeakPolarHBondContact O-CD1 3.32Å; D60-L64 WeakPolarHBondContact O-CG 3.24Å; D60-L64 PolarHBondContact O-N 3.4Å
61	L	38.8	Very low	42.3	Very low	91 Å²	91	105.1 Å²	105.1	48%	0.476	57%	0.574	S	S	.	*	H	α-helix	trans	-74.3	-26.7	178.9	-97.5	138.4	0	0	0	112.7	F57 S58 P59 R65	F57-L61 HydrophobicContact CB-CB 4.29Å; F57-L61 HydrophobicContact CD1-CB 4.46Å; F57-L61 HydrophobicContact CD1-CD1 4.3Å; F57-L61 HydrophobicContact CD1-CD2 4.36Å; S58-L61 WeakPolarHBondContact O-CB 3.44Å; S58-L61 PolarHBondContact O-N 3.24Å; P59-L61 VanDerWaalsContact C-N 3.29Å; P59-L61 PolarHBondContact O-N 3.07Å; L61-R65 WeakPolarHBondContact O-CB 3.4Å; L61-R65 PolarHBondContact O-N 2.95Å; L61-R65 VanDerWaalsContact O-N 3.15Å
62	R	39.4	Very low	43.7	Very low	127 Å²	127	106.3 Å²	106.3	48%	0.479	57%	0.566	S	S	.	*	H	α-helix	trans	-73.2	-46.3	170.5	-70.8	-177	173.5	-179.6	-2.3	110.7	D55 S58 P59 L64 R65 E66	D55-R62 IonicContact OD1-CZ 3.57Å; D55-R62 IonicContact OD1-NH2 3.84Å; D55-R62 PolarHBondContact OD1-NH2 3.07Å; D55-R62 IonicContact OD2-NH2 2.77Å; S58-R62 PolarHBondContact O-N 2.77Å; P59-R62 PolarHBondContact O-N 3.12Å; P59-R62 VanDerWaalsContact O-N 3.11Å; R62-L64 VanDerWaalsContact C-N 3.34Å; R62-L64 PolarHBondContact O-N 2.91Å; R62-R65 WeakPolarHBondContact O-CB 3.42Å; R62-R65 PolarHBondContact O-N 2.69Å; R62-E66 PolarHBondContact O-N 3.01Å
63	V	49.6	Very low	45.5	Very low	90 Å²	90	105.2 Å²	105.2	55%	0.545	55%	0.554	S	S	.	*	H	α-helix	trans	-60	-41.7	175.1	174.7	0	0	0	0	111.7	P59 D60 R65 E66 S67	P59-V63 WeakPolarHBondContact O-CG2 3.49Å; P59-V63 PolarHBondContact O-N 2.76Å; D60-V63 PolarHBondContact O-N 2.74Å; V63-R65 VanDerWaalsContact C-N 3.35Å; V63-R65 PolarHBondContact O-N 2.99Å; V63-E66 PolarHBondContact O-N 3.11Å; V63-S67 VanDerWaalsContact O-CB 3.31Å; V63-S67 WeakPolarHBondContact O-CB 3.45Å; V63-S67 PolarHBondContact O-N 3.28Å; V63-S67 PolarHBondContact O-OG 3.42Å
64	L	43.1	Very low	47.6	Very low	101 Å²	101	100.2 Å²	100.2	53%	0.529	52%	0.516	S	S	.	.	H	α-helix	trans	-64.6	-35.3	173.7	-74.8	166.5	0	0	0	112.7	D60 R62 S67 N68	D60-L64 WeakPolarHBondContact O-CB 3.49Å; D60-L64 WeakPolarHBondContact O-CD1 3.32Å; D60-L64 WeakPolarHBondContact O-CG 3.24Å; D60-L64 PolarHBondContact O-N 3.4Å; R62-L64 VanDerWaalsContact C-N 3.34Å; R62-L64 PolarHBondContact O-N 2.91Å; L64-S67 WeakPolarHBondContact CA-OG 3.13Å; L64-S67 PolarHBondContact O-OG 2.66Å; L64-N68 VanDerWaalsContact O-CB 3.3Å; L64-N68 WeakPolarHBondContact O-CB 3.23Å; L64-N68 PolarHBondContact O-N 2.69Å; L64-N68 VanDerWaalsContact O-N 3.1Å; L64-N68 PolarHBondContact O-ND2 3.36Å
65	R	39.4	Very low	50.2	Low	181 Å²	181	100.7 Å²	100.7	68%	0.683	51%	0.505	S	S	*	.	H	α-helix	trans	-70.4	-42.7	174.5	-107.4	-179.5	166.3	-178	-3.3	112.6	L61 R62 V63 N68 K69	L61-R65 WeakPolarHBondContact O-CB 3.4Å; L61-R65 PolarHBondContact O-N 2.95Å; L61-R65 VanDerWaalsContact O-N 3.15Å; R62-R65 WeakPolarHBondContact O-CB 3.42Å; R62-R65 PolarHBondContact O-N 2.69Å; V63-R65 VanDerWaalsContact C-N 3.35Å; V63-R65 PolarHBondContact O-N 2.99Å; R65-N68 PolarHBondContact O-N 3.21Å; R65-K69 WeakPolarHBondContact O-CG 3.36Å; R65-K69 PolarHBondContact O-N 3.15Å
66	E	46.3	Very low	52.8	Low	123 Å²	123	95.1 Å²	95.1	58%	0.575	48%	0.475	S	S	*	.	H	α-helix	trans	-68.9	-43.1	178.8	-72.6	175.5	168.6	0	0	111.6	R62 V63 N68 K69 L70	R62-E66 PolarHBondContact O-N 3.01Å; V63-E66 PolarHBondContact O-N 3.11Å; E66-N68 PolarHBondContact O-N 3.36Å; E66-K69 PolarHBondContact O-N 3.42Å; E66-L70 WeakPolarHBondContact O-CB 3.43Å; E66-L70 WeakPolarHBondContact O-CG 3.43Å; E66-L70 PolarHBondContact O-N 2.82Å
67	S	50.5	Low	55.5	Low	42 Å²	42	91.5 Å²	91.5	29%	0.294	46%	0.461	S	S	.	.	H	α-helix	trans	-70.6	-15.4	174.4	60.1	0	0	0	0	114.1	V63 L64 A71 K89	V63-S67 VanDerWaalsContact O-CB 3.31Å; V63-S67 WeakPolarHBondContact O-CB 3.45Å; V63-S67 PolarHBondContact O-N 3.28Å; V63-S67 PolarHBondContact O-OG 3.42Å; L64-S67 WeakPolarHBondContact CA-OG 3.13Å; L64-S67 PolarHBondContact O-OG 2.66Å; S67-A71 WeakPolarHBondContact O-CB 3.46Å; S67-A71 PolarHBondContact O-N 3.48Å; S67-K89 PolarHBondContact O-NZ 3.19Å
68	N	51.8	Low	58.2	Low	87 Å²	87	89.6 Å²	89.6	47%	0.465	46%	0.456	S	S	.	.	H	α-helix	trans	-84.8	-41.6	166.7	-77.3	-10.2	0	0	0	112.2	L64 R65 E66 L70 A71 E72 K89	L64-N68 VanDerWaalsContact O-CB 3.3Å; L64-N68 WeakPolarHBondContact O-CB 3.23Å; L64-N68 PolarHBondContact O-N 2.69Å; L64-N68 VanDerWaalsContact O-N 3.1Å; L64-N68 PolarHBondContact O-ND2 3.36Å; R65-N68 PolarHBondContact O-N 3.21Å; E66-N68 PolarHBondContact O-N 3.36Å; N68-L70 PolarHBondContact O-N 3.46Å; N68-A71 WeakPolarHBondContact O-CB 3.42Å; N68-A71 PolarHBondContact O-N 2.96Å; N68-A71 VanDerWaalsContact O-N 3.09Å; N68-E72 PolarHBondContact O-N 3.32Å; N68-K89 PolarHBondContact OD1-NZ 3.02Å
69	K	50.3	Low	60.9	Low	136 Å²	136	89.1 Å²	89.1	59%	0.591	45%	0.449	S	S	*	.	H	α-helix	trans	-61.1	-41.1	172.6	-76.4	-175.7	173.3	-170	0	112.9	R65 E66 A71 E72 M73	R65-K69 WeakPolarHBondContact O-CG 3.36Å; R65-K69 PolarHBondContact O-N 3.15Å; E66-K69 PolarHBondContact O-N 3.42Å; K69-A71 VanDerWaalsContact C-N 3.28Å; K69-A71 PolarHBondContact O-N 2.86Å; K69-E72 PolarHBondContact O-N 2.99Å; K69-M73 WeakPolarHBondContact O-CG 3.12Å; K69-M73 PolarHBondContact O-N 3.24Å; K69-M73 VanDerWaalsContact O-N 3.1Å
70	L	53.2	Low	63.2	Low	91 Å²	91	87.2 Å²	87.2	48%	0.476	44%	0.436	S	S	.	.	H	α-helix	trans	-64.1	-34.5	173.6	-76.5	164.5	0	0	0	111.7	E66 N68 M73 E74	E66-L70 WeakPolarHBondContact O-CB 3.43Å; E66-L70 WeakPolarHBondContact O-CG 3.43Å; E66-L70 PolarHBondContact O-N 2.82Å; N68-L70 PolarHBondContact O-N 3.46Å; L70-M73 PolarHBondContact O-N 3.17Å; L70-E74 WeakPolarHBondContact O-CG 3.44Å; L70-E74 PolarHBondContact O-N 3.42Å; L70-E74 VanDerWaalsContact O-N 3.1Å
71	A	49.8	Very low	65.8	Low	10 Å²	10	82.8 Å²	82.8	8%	0.083	42%	0.417	C	S	.	.	H	α-helix	trans	-70.4	-41.8	176	0	0	0	0	0	112.4	S67 N68 K69 M73 E74 E75	S67-A71 WeakPolarHBondContact O-CB 3.46Å; S67-A71 PolarHBondContact O-N 3.48Å; N68-A71 WeakPolarHBondContact O-CB 3.42Å; N68-A71 PolarHBondContact O-N 2.96Å; N68-A71 VanDerWaalsContact O-N 3.09Å; K69-A71 VanDerWaalsContact C-N 3.28Å; K69-A71 PolarHBondContact O-N 2.86Å; A71-M73 PolarHBondContact O-N 3.26Å; A71-E74 CarbonylContact O-C 3.57Å; A71-E74 WeakPolarHBondContact O-CA 3.5Å; A71-E74 PolarHBondContact O-N 3Å; A71-E75 WeakPolarHBondContact O-CG 3.47Å; A71-E75 PolarHBondContact O-N 2.72Å; A71-E75 VanDerWaalsContact O-N 3.16Å
72	E	58.1	Low	68.7	Low	143 Å²	143	78.8 Å²	78.8	67%	0.668	40%	0.396	S	S	*	.	H	α-helix	trans	-57	-35.1	170.8	-71.7	170.8	177.1	0	0	111.5	N68 K69	N68-E72 PolarHBondContact O-N 3.32Å; K69-E72 PolarHBondContact O-N 2.99Å
73	M	66.1	Low	71.5	Confident	108 Å²	108	76.6 Å²	76.6	53%	0.532	39%	0.394	S	S	.	.	H	α-helix	trans	-75.2	-18.9	173.6	-68.9	-179.2	70	0	0	114.1	K69 L70 A71 K115 M117	K69-M73 WeakPolarHBondContact O-CG 3.12Å; K69-M73 PolarHBondContact O-N 3.24Å; K69-M73 VanDerWaalsContact O-N 3.1Å; L70-M73 PolarHBondContact O-N 3.17Å; A71-M73 PolarHBondContact O-N 3.26Å; M73-K115 WeakPolarHBondContact O-CE 3.43Å; M73-K115 PolarHBondContact O-NZ 3.32Å; M73-M117 HydrophobicContact CE-CE 4.17Å
74	E	78.1	Confident	73.8	Confident	20 Å²	20	74.9 Å²	74.9	9%	0.093	38%	0.381	C	S	.	.	H	α-helix	trans	-99.8	-0.4	-179.2	-73	-171.6	159.9	0	0	114	L70 A71 T104 K115 M117	L70-E74 WeakPolarHBondContact O-CG 3.44Å; L70-E74 PolarHBondContact O-N 3.42Å; L70-E74 VanDerWaalsContact O-N 3.1Å; A71-E74 CarbonylContact O-C 3.57Å; A71-E74 WeakPolarHBondContact O-CA 3.5Å; A71-E74 PolarHBondContact O-N 3Å; E74-T104 WeakPolarHBondContact OE2-CB 3.19Å; E74-T104 PolarHBondContact OE2-N 2.76Å; E74-T104 PolarHBondContact OE2-OG1 2.95Å; E74-K115 HydrophobicContact CB-CB 4.49Å; E74-K115 HydrophobicContact CG-CG 4.24Å; E74-M117 HydrophobicContact CG-CG 3.88Å; E74-M117 WeakPolarHBondContact OE1-CG 3.48Å; E74-M117 PolarHBondContact OE1-N 2.84Å; E74-M117 VanDerWaalsContact OE1-N 3.11Å
75	E	88.4	Confident	76.4	Confident	91 Å²	91	73.2 Å²	73.2	43%	0.425	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-64.6	146.6	178.1	-64.2	-156.1	155	0	0	113.4	A71 M87	A71-E75 WeakPolarHBondContact O-CG 3.47Å; A71-E75 PolarHBondContact O-N 2.72Å; A71-E75 VanDerWaalsContact O-N 3.16Å; E75-M87 HydrophobicContact CG-CE 4.08Å
76	P	92.2	Very high	79.2	Confident	7 Å²	7	65.8 Å²	65.8	5%	0.045	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-69.8	142.8	174.2	28.1	-34.2	0	0	0	111.9	L78 I84 T106 T108 Y113	P76-L78 HydrophobicContact CG-CD2 4.03Å; P76-L78 PolarHBondContact O-N 2.96Å; P76-I84 HydrophobicContact CG-CD1 4.28Å; P76-I84 HydrophobicContact CG-CG1 4.27Å; P76-T106 HydrophobicContact CG-CG2 3.8Å; P76-T108 HydrophobicContact CG-CG2 4.19Å; P76-Y113 HydrophobicContact CB-CD1 3.7Å; P76-Y113 HydrophobicContact CB-CD2 4.09Å; P76-Y113 HydrophobicContact CB-CE1 4.17Å; P76-Y113 HydrophobicContact CB-CG 3.64Å; P76-Y113 HydrophobicContact CG-CD1 4.45Å
77	P	95.3	Very high	81.6	Confident	84 Å²	84	62.6 Å²	62.6	55%	0.545	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-59.2	123.4	160.3	-20	32.7	0	0	0	110.2	R111	P77-R111 PolarHBondContact O-NH2 3.31Å
78	L	97.4	Very high	83.8	Confident	83 Å²	83	60.6 Å²	60.6	44%	0.435	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-97.1	129.8	-178.3	-61.1	179.5	0	0	0	111.3	P76 E82 I84 T108	P76-L78 HydrophobicContact CG-CD2 4.03Å; P76-L78 PolarHBondContact O-N 2.96Å; L78-E82 HydrophobicContact CB-CB 4.25Å; L78-E82 HydrophobicContact CD2-CB 4.33Å; L78-E82 HydrophobicContact CD2-CG 3.94Å; L78-I84 HydrophobicContact CD1-CG1 4.46Å; L78-I84 HydrophobicContact CD2-CG1 4.15Å; L78-T108 HydrophobicContact CD2-CG2 3.92Å
79	L	98.3	Very high	85.8	Confident	44 Å²	44	60.2 Å²	60.2	23%	0.23	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-73.3	160	170	-68.1	171.4	0	0	0	111.7	G81 E82 Y110 F193 Y197 L516	L79-G81 PolarHBondContact O-N 2.96Å; L79-E82 HydrophobicContact CB-CB 4.15Å; L79-E82 PolarHBondContact N-OE2 3.39Å; L79-E82 WeakPolarHBondContact O-CB 3.23Å; L79-E82 PolarHBondContact O-N 3.34Å; L79-Y110 HydrophobicContact CD1-CD1 3.91Å; L79-Y110 HydrophobicContact CD1-CE1 3.75Å; L79-F193 HydrophobicContact CD1-CE1 4.45Å; L79-Y197 HydrophobicContact CB-CD2 4.33Å; L79-Y197 HydrophobicContact CB-CE2 4.11Å; L79-Y197 HydrophobicContact CD1-CE2 4.22Å; L79-Y197 HydrophobicContact CD2-CE2 4.46Å; L79-Y197 HydrophobicContact CG-CE2 4.49Å; L79-L516 HydrophobicContact CD1-CD1 3.89Å; L79-L516 HydrophobicContact CD1-CD2 4.32Å
80	P	98.4	Very high	87.9	Confident	60 Å²	60	57.7 Å²	57.7	39%	0.39	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	109.8	173.6	-25.6	35.7	0	0	0	112.3	Y197 K198 E199	P80-Y197 WeakPolarHBondContact O-CA 3.46Å; P80-K198 HydrophobicContact CB-CB 4.17Å; P80-K198 PolarHBondContact O-N 2.92Å; P80-E199 HydrophobicContact CB-CB 4.48Å; P80-E199 HydrophobicContact CG-CB 4.03Å; P80-E199 HydrophobicContact CG-CG 4.26Å
81	G	97.9	Very high	90	Very high	19 Å²	19	53.4 Å²	53.4	20%	0.196	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.2	-10.4	-174.3	0	0	0	0	0	114.7	L79 N83 N109 E196	L79-G81 PolarHBondContact O-N 2.96Å; G81-N83 PolarHBondContact O-ND2 2.91Å; G81-N109 PolarHBondContact O-ND2 3.44Å; G81-N109 VanDerWaalsContact O-ND2 3.16Å; G81-E196 WeakPolarHBondContact CA-O 3.42Å
82	E	98.6	Very high	92.2	Very high	7 Å²	7	53.8 Å²	53.8	3%	0.033	28%	0.281	C	S	.	.			trans	-78.1	138.6	174.2	-162.1	175	-178.4	0	0	111.4	L78 L79 T108 N109 R111 F193	L78-E82 HydrophobicContact CB-CB 4.25Å; L78-E82 HydrophobicContact CD2-CB 4.33Å; L78-E82 HydrophobicContact CD2-CG 3.94Å; L79-E82 HydrophobicContact CB-CB 4.15Å; L79-E82 PolarHBondContact N-OE2 3.39Å; L79-E82 WeakPolarHBondContact O-CB 3.23Å; L79-E82 PolarHBondContact O-N 3.34Å; E82-T108 HydrophobicContact CG-CG2 4.15Å; E82-T108 WeakPolarHBondContact CG-OG1 3.43Å; E82-T108 WeakPolarHBondContact OE1-CB 3.47Å; E82-T108 WeakPolarHBondContact OE1-CG2 3.29Å; E82-T108 PolarHBondContact OE1-OG1 2.99Å; E82-N109 WeakPolarHBondContact CA-OD1 3.41Å; E82-R111 WeakPolarHBondContact OE1-CG 3.28Å; E82-R111 IonicContact OE1-CZ 3.74Å; E82-R111 IonicContact OE1-NE 3.62Å; E82-R111 PolarHBondContact OE1-NE 2.78Å; E82-R111 IonicContact OE1-NH2 3.3Å; E82-R111 IonicContact OE2-CZ 2.78Å; E82-R111 IonicContact OE2-NE 3.62Å; E82-R111 PolarHBondContact OE2-NE 3.41Å; E82-R111 IonicContact OE2-NH2 3.44Å; E82-R111 PolarHBondContact OE2-NH2 3.02Å; E82-F193 HydrophobicContact CB-CE2 4.11Å; E82-F193 HydrophobicContact CB-CZ 3.79Å; E82-F193 HydrophobicContact CG-CE2 4.43Å; E82-F193 HydrophobicContact CG-CZ 4.32Å
83	N	97.9	Very high	94.2	Very high	82 Å²	82	47.5 Å²	47.5	44%	0.439	25%	0.251	S	S	.	.			trans	-143.4	134.6	-177.7	-65.9	-94.1	0	0	0	109.8	G81 K85 T108 N109	G81-N83 PolarHBondContact O-ND2 2.91Å; N83-K85 WeakPolarHBondContact O-CE 3.39Å; N83-T108 CarbonylContact O-C 3.55Å; N83-T108 VanDerWaalsContact O-CA 3.25Å; N83-T108 WeakPolarHBondContact O-CA 3.36Å; N83-T108 WeakPolarHBondContact O-CB 3.37Å; N83-N109 PolarHBondContact N-OD1 2.82Å; N83-N109 PolarHBondContact O-N 3.42Å; N83-N109 PolarHBondContact O-OD1 2.81Å
84	I	98.5	Very high	95.6	Very high	54 Å²	54	44.5 Å²	44.5	28%	0.277	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	136	171.3	-59.8	176	0	0	0	109.5	P76 L78 M87 T106 T108	P76-I84 HydrophobicContact CG-CD1 4.28Å; P76-I84 HydrophobicContact CG-CG1 4.27Å; L78-I84 HydrophobicContact CD1-CG1 4.46Å; L78-I84 HydrophobicContact CD2-CG1 4.15Å; I84-M87 HydrophobicContact CD1-CE 4.12Å; I84-T106 HydrophobicContact CB-CG2 4.43Å; I84-T106 HydrophobicContact CD1-CG2 4.14Å; I84-T106 HydrophobicContact CG1-CG2 3.98Å; I84-T106 HydrophobicContact CG2-CG2 3.74Å; I84-T108 HydrophobicContact CG1-CG2 4.36Å
85	K	98.4	Very high	96.5	Very high	65 Å²	65	44 Å²	44	28%	0.283	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	-30.1	-179.8	-54.7	-56.7	-176.7	-173.8	0	112.5	N83 V107 N109 Y182	N83-K85 WeakPolarHBondContact O-CE 3.39Å; K85-V107 WeakPolarHBondContact CA-O 3.37Å; K85-V107 PolarHBondContact N-O 3.28Å; K85-N109 VanDerWaalsContact CE-CB 3.5Å; K85-Y182 HydrophobicContact CB-CD2 3.85Å; K85-Y182 HydrophobicContact CB-CE2 3.47Å; K85-Y182 VanDerWaalsContact CB-CE2 3.47Å; K85-Y182 HydrophobicContact CD-CE1 4.07Å; K85-Y182 HydrophobicContact CD-CE2 4.09Å; K85-Y182 HydrophobicContact CG-CD1 4.32Å; K85-Y182 HydrophobicContact CG-CD2 3.83Å; K85-Y182 HydrophobicContact CG-CE1 4.05Å; K85-Y182 HydrophobicContact CG-CE2 3.53Å; K85-Y182 HydrophobicContact CG-CG 4.22Å
86	D	98	Very high	96.9	Very high	25 Å²	25	42 Å²	42	13%	0.134	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	154.7	174.3	-155.9	-8.9	0	0	0	110.7	V107 S174 I175 N178	D86-V107 HydrophobicContact CB-CB 4.31Å; D86-V107 PolarHBondContact N-O 2.96Å; D86-V107 VanDerWaalsContact N-O 3.15Å; D86-V107 PolarHBondContact O-N 2.93Å; D86-S174 PolarHBondContact OD1-OG 3.38Å; D86-S174 WeakPolarHBondContact OD2-CB 3.45Å; D86-S174 PolarHBondContact OD2-OG 3.3Å; D86-I175 HydrophobicContact CB-CD1 3.99Å; D86-I175 PolarHBondContact OD2-N 2.86Å; D86-I175 VanDerWaalsContact OD2-N 3.17Å; D86-N178 HydrophobicContact CB-CB 3.89Å; D86-N178 WeakPolarHBondContact CB-ND2 3.23Å; D86-N178 PolarHBondContact OD2-ND2 3.24Å
87	M	97.1	Very high	97	Very high	56 Å²	56	43.2 Å²	43.2	28%	0.276	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	132.7	177.8	-173.6	-171	-71.7	0	0	110.4	E75 I84 T104 L105 T106	E75-M87 HydrophobicContact CG-CE 4.08Å; I84-M87 HydrophobicContact CD1-CE 4.12Å; M87-T104 HydrophobicContact CG-CG2 3.49Å; M87-T104 VanDerWaalsContact CG-CG2 3.49Å; M87-T104 HydrophobicContact SD-CG2 3.85Å; M87-L105 CarbonylContact C-O 3.59Å; M87-L105 WeakPolarHBondContact CA-O 3.38Å; M87-T106 HydrophobicContact CE-CG2 4.39Å
88	A	96.2	Very high	96.9	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	112.3	178.2	0	0	0	0	0	110.7	V91 T104 L105 T171 I175	A88-V91 HydrophobicContact CB-CG2 3.64Å; A88-V91 WeakPolarHBondContact O-CG2 3.47Å; A88-T104 WeakPolarHBondContact O-CA 3.35Å; A88-L105 PolarHBondContact N-O 2.67Å; A88-L105 PolarHBondContact O-N 2.69Å; A88-T171 HydrophobicContact CB-CG2 3.77Å; A88-I175 HydrophobicContact CB-CD1 3.78Å; A88-I175 HydrophobicContact CB-CG1 3.66Å
89	K	93.8	Very high	96.8	Very high	79 Å²	79	39.6 Å²	39.6	34%	0.343	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	164.9	169.1	-55.9	-172.1	-173.5	-175	0	110.7	S67 N68 V91	S67-K89 PolarHBondContact O-NZ 3.19Å; N68-K89 PolarHBondContact OD1-NZ 3.02Å; K89-V91 PolarHBondContact O-N 2.86Å
90	D	93.7	Very high	96.7	Very high	83 Å²	83	40 Å²	40	44%	0.444	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56	31.3	177.6	-77.2	-69.7	0	0	0	114.7	R102 G103 K166	D90-R102 WeakPolarHBondContact OD1-CD 3.38Å; D90-R102 IonicContact OD1-NH1 2.73Å; D90-G103 PolarHBondContact N-O 3.1Å; D90-K166 IonicContact OD1-NZ 3.44Å
91	V	96.9	Very high	96.6	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	135.2	174.4	175.5	0	0	0	0	109.1	A88 K89 R102 G103 L105 F114 F163	A88-V91 HydrophobicContact CB-CG2 3.64Å; A88-V91 WeakPolarHBondContact O-CG2 3.47Å; K89-V91 PolarHBondContact O-N 2.86Å; V91-R102 CarbonylContact O-C 3.51Å; V91-R102 WeakPolarHBondContact O-CA 3.26Å; V91-G103 PolarHBondContact N-O 3.45Å; V91-G103 PolarHBondContact O-N 2.95Å; V91-L105 HydrophobicContact CB-CB 4.02Å; V91-L105 HydrophobicContact CG1-CB 4.05Å; V91-L105 HydrophobicContact CG1-CD2 4.04Å; V91-L105 HydrophobicContact CG2-CB 4.05Å; V91-F114 WeakPolarHBondContact O-CE2 3.49Å; V91-F163 HydrophobicContact CG1-CB 3.86Å; V91-F163 HydrophobicContact CG1-CD1 4.11Å; V91-F163 HydrophobicContact CG1-CG 4.41Å
92	T	97.9	Very high	96.6	Very high	17 Å²	17	41.2 Å²	41.2	10%	0.104	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	110	177.9	-56.3	0	0	0	0	109.9	A100 V101 F163 A164	T92-A100 HydrophobicContact CG2-CB 3.7Å; T92-V101 CarbonylContact C-O 3.29Å; T92-V101 WeakPolarHBondContact CA-O 3.38Å; T92-F163 CarbonylContact O-C 2.97Å; T92-F163 WeakPolarHBondContact O-CA 3.3Å; T92-A164 PolarHBondContact N-O 3.32Å; T92-A164 PolarHBondContact O-N 3.04Å
93	Y	98.1	Very high	96.5	Very high	11 Å²	11	41.2 Å²	41.2	4%	0.043	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	130.7	165.5	174.7	-116.1	0	0	0	109.7	C95 A100 V101 F114 F123 L125 L161 R162 F163	Y93-C95 HydrophobicContact CD1-CB 3.92Å; Y93-C95 VanDerWaalsContact CE1-CA 3.47Å; Y93-C95 HydrophobicContact CE1-CB 3.44Å; Y93-C95 VanDerWaalsContact CE1-CB 3.44Å; Y93-C95 PolarHBondContact O-N 3.44Å; Y93-A100 WeakPolarHBondContact O-CA 3.45Å; Y93-V101 HydrophobicContact CD1-CG1 4.06Å; Y93-V101 PolarHBondContact N-O 3.41Å; Y93-V101 PolarHBondContact O-N 3.03Å; Y93-F114 HydrophobicContact CG-CD1 4.44Å; Y93-F114 HydrophobicContact CG-CE1 4.45Å; Y93-F123 AromaticContact CD1-CE1 3.51Å; Y93-F123 HydrophobicContact CD1-CE1 3.51Å; Y93-F123 AromaticContact CD1-CZ 3.63Å; Y93-F123 HydrophobicContact CD1-CZ 3.63Å; Y93-F123 AromaticContact CE1-CE1 3.83Å; Y93-F123 HydrophobicContact CE1-CE1 3.83Å; Y93-F123 AromaticContact CE1-CZ 3.49Å; Y93-F123 HydrophobicContact CE1-CZ 3.49Å; Y93-F123 VanDerWaalsContact CE1-CZ 3.49Å; Y93-F123 HydrophobicContact CG-CE1 4.47Å; Y93-L125 HydrophobicContact CD1-CD2 4.37Å; Y93-L125 HydrophobicContact CD2-CD2 3.79Å; Y93-L125 HydrophobicContact CE1-CD2 4.2Å; Y93-L125 HydrophobicContact CE2-CD2 3.6Å; Y93-L125 HydrophobicContact CG-CD2 4.18Å; Y93-L161 HydrophobicContact CE2-CB 4.26Å; Y93-L161 HydrophobicContact CE2-CD2 4.18Å; Y93-R162 WeakPolarHBondContact CD2-O 3.45Å; Y93-F163 AromaticContact CD2-CD1 3.9Å; Y93-F163 HydrophobicContact CD2-CD1 3.9Å; Y93-F163 AromaticContact CD2-CE1 3.55Å; Y93-F163 HydrophobicContact CD2-CE1 3.55Å; Y93-F163 AromaticContact CD2-CZ 3.98Å; Y93-F163 HydrophobicContact CD2-CZ 3.98Å; Y93-F163 HydrophobicContact CE2-CE1 4.46Å; Y93-F163 HydrophobicContact CE2-CZ 4.48Å; Y93-F163 HydrophobicContact CG-CD1 4.41Å; Y93-F163 HydrophobicContact CG-CE1 4.11Å
94	I	97.4	Very high	96.4	Very high	46 Å²	46	37.5 Å²	37.5	24%	0.236	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	87.7	178.2	-52	177.9	0	0	0	107.7	P96 N147 R162 A164	I94-P96 WeakPolarHBondContact O-CD 3.27Å; I94-N147 HydrophobicContact CD1-CB 3.88Å; I94-R162 HydrophobicContact CD1-CG 4.08Å; I94-R162 PolarHBondContact N-O 2.93Å; I94-A164 HydrophobicContact CD1-CB 4.36Å
95	C	96.4	Very high	96.4	Very high	8 Å²	8	35 Å²	35	5%	0.054	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	120.9	177.6	-172.4	0	0	0	0	110.1	Y93 F97 T98 G99	Y93-C95 HydrophobicContact CD1-CB 3.92Å; Y93-C95 VanDerWaalsContact CE1-CA 3.47Å; Y93-C95 HydrophobicContact CE1-CB 3.44Å; Y93-C95 VanDerWaalsContact CE1-CB 3.44Å; Y93-C95 PolarHBondContact O-N 3.44Å; C95-F97 PolarHBondContact O-N 3.23Å; C95-F97 VanDerWaalsContact O-N 3.12Å; C95-T98 WeakPolarHBondContact CB-OG1 3.41Å; C95-T98 PolarHBondContact O-N 3.13Å; C95-T98 PolarHBondContact SG-OG1 3.4Å; C95-G99 WeakPolarHBondContact CB-O 3.43Å; C95-G99 PolarHBondContact N-O 2.89Å; C95-G99 VanDerWaalsContact N-O 3.08Å; C95-G99 WeakPolarHBondContact O-CA 3.3Å; C95-G99 PolarHBondContact O-N 2.86Å
96	P	95.5	Very high	96.4	Very high	51 Å²	51	31.9 Å²	31.9	33%	0.331	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.5	179.7	-23.7	34.7	0	0	0	113.8	I94 P372	I94-P96 WeakPolarHBondContact O-CD 3.27Å; P96-P372 HydrophobicContact CB-CB 3.39Å; P96-P372 HydrophobicContact CB-CG 4.18Å; P96-P372 HydrophobicContact CG-CB 3.87Å
97	F	94.8	Very high	96.5	Very high	31 Å²	31	30.7 Å²	30.7	14%	0.136	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-27.2	-173.7	-48.8	-70.6	0	0	0	114.2	C95 Y371 P372 W583 N584 P585	C95-F97 PolarHBondContact O-N 3.23Å; C95-F97 VanDerWaalsContact O-N 3.12Å; F97-Y371 HydrophobicContact CE2-CE2 4.07Å; F97-Y371 HydrophobicContact CZ-CD2 4.29Å; F97-Y371 AromaticContact CZ-CE2 3.83Å; F97-Y371 HydrophobicContact CZ-CE2 3.83Å; F97-P372 WeakPolarHBondContact CE1-O 3.36Å; F97-W583 HydrophobicContact CE2-CB 4.2Å; F97-W583 VanDerWaalsContact CE2-O 3.27Å; F97-W583 WeakPolarHBondContact CE2-O 3.37Å; F97-W583 HydrophobicContact CZ-CB 4.37Å; F97-N584 HydrophobicContact CD1-CB 3.92Å; F97-N584 HydrophobicContact CE1-CB 3.5Å; F97-N584 HydrophobicContact CZ-CB 3.93Å; F97-P585 HydrophobicContact CB-CG 4.33Å
98	T	94.4	Very high	96.6	Very high	55 Å²	55	28 Å²	28	34%	0.337	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.2	10.2	-168.8	68.1	0	0	0	0	114	C95 R119	C95-T98 WeakPolarHBondContact CB-OG1 3.41Å; C95-T98 PolarHBondContact O-N 3.13Å; C95-T98 PolarHBondContact SG-OG1 3.4Å; T98-R119 PolarHBondContact O-NH1 3.36Å; T98-R119 PolarHBondContact O-NH2 3.24Å; T98-R119 PolarHBondContact OG1-NH1 3.34Å
99	G	94.8	Very high	96.7	Very high	37 Å²	37	28.4 Å²	28.4	38%	0.381	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	79.1	-170	178.7	0	0	0	0	0	114.4	C95	C95-G99 WeakPolarHBondContact CB-O 3.43Å; C95-G99 PolarHBondContact N-O 2.89Å; C95-G99 VanDerWaalsContact N-O 3.08Å; C95-G99 WeakPolarHBondContact O-CA 3.3Å; C95-G99 PolarHBondContact O-N 2.86Å
100	A	96.3	Very high	96.9	Very high	53 Å²	53	25.7 Å²	25.7	44%	0.438	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	149.3	176.7	0	0	0	0	0	112.2	T92 Y93 R119	T92-A100 HydrophobicContact CG2-CB 3.7Å; Y93-A100 WeakPolarHBondContact O-CA 3.45Å; A100-R119 PolarHBondContact O-NH2 3.21Å; A100-R119 VanDerWaalsContact O-NH2 3.08Å
101	V	96.9	Very high	97.1	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.012	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	133.4	170.2	56.8	0	0	0	0	108.6	T92 Y93 F114 S116 R119 F123	T92-V101 CarbonylContact C-O 3.29Å; T92-V101 WeakPolarHBondContact CA-O 3.38Å; Y93-V101 HydrophobicContact CD1-CG1 4.06Å; Y93-V101 PolarHBondContact N-O 3.41Å; Y93-V101 PolarHBondContact O-N 3.03Å; V101-F114 HydrophobicContact CG1-CE1 4Å; V101-F114 HydrophobicContact CG1-CZ 4.45Å; V101-S116 VanDerWaalsContact CG2-OG 3.24Å; V101-S116 WeakPolarHBondContact CG2-OG 3.27Å; V101-R119 HydrophobicContact CG2-CG 4.31Å; V101-F123 HydrophobicContact CG1-CD1 3.98Å; V101-F123 HydrophobicContact CG1-CE1 4.27Å; V101-F123 HydrophobicContact CG1-CG 4.15Å; V101-F123 HydrophobicContact CG2-CB 4.31Å
102	R	96.8	Very high	97.2	Very high	101 Å²	101	23 Å²	23	38%	0.381	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	142.7	-178.3	-165	-169.3	-53.8	156.1	12.1	110.6	D90 V91 S116 E118	D90-R102 WeakPolarHBondContact OD1-CD 3.38Å; D90-R102 IonicContact OD1-NH1 2.73Å; V91-R102 CarbonylContact O-C 3.51Å; V91-R102 WeakPolarHBondContact O-CA 3.26Å; R102-S116 WeakPolarHBondContact O-CB 3.42Å; R102-S116 PolarHBondContact O-OG 2.72Å; R102-E118 WeakPolarHBondContact CB-OE2 3.48Å; R102-E118 PolarHBondContact N-OE2 3.02Å
103	G	95.9	Very high	97.3	Very high	7 Å²	7	22.8 Å²	22.8	7%	0.072	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	-156.3	179.5	0	0	0	0	0	111.7	D90 V91 K115	D90-G103 PolarHBondContact N-O 3.1Å; V91-G103 PolarHBondContact N-O 3.45Å; V91-G103 PolarHBondContact O-N 2.95Å; G103-K115 CarbonylContact C-O 3.2Å; G103-K115 WeakPolarHBondContact CA-O 3.45Å
104	T	97.3	Very high	97.3	Very high	5 Å²	5	22.3 Å²	22.3	3%	0.031	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.7	179.8	-61.2	0	0	0	0	111	E74 M87 A88 F114 K115	E74-T104 WeakPolarHBondContact OE2-CB 3.19Å; E74-T104 PolarHBondContact OE2-N 2.76Å; E74-T104 PolarHBondContact OE2-OG1 2.95Å; M87-T104 HydrophobicContact CG-CG2 3.49Å; M87-T104 VanDerWaalsContact CG-CG2 3.49Å; M87-T104 HydrophobicContact SD-CG2 3.85Å; A88-T104 WeakPolarHBondContact O-CA 3.35Å; T104-F114 WeakPolarHBondContact O-CA 3.24Å; T104-F114 WeakPolarHBondContact O-CD2 3.48Å; T104-K115 PolarHBondContact N-O 3.38Å; T104-K115 PolarHBondContact O-N 3.35Å; T104-K115 VanDerWaalsContact O-N 3.08Å
105	L	98.4	Very high	97.3	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	121	174.5	-174.3	67.9	0	0	0	109.7	M87 A88 V91 L112 F114 F163 I175	M87-L105 CarbonylContact C-O 3.59Å; M87-L105 WeakPolarHBondContact CA-O 3.38Å; A88-L105 PolarHBondContact N-O 2.67Å; A88-L105 PolarHBondContact O-N 2.69Å; V91-L105 HydrophobicContact CB-CB 4.02Å; V91-L105 HydrophobicContact CG1-CB 4.05Å; V91-L105 HydrophobicContact CG1-CD2 4.04Å; V91-L105 HydrophobicContact CG2-CB 4.05Å; L105-L112 HydrophobicContact CD1-CD1 3.52Å; L105-L112 HydrophobicContact CD1-CG 4.15Å; L105-L112 HydrophobicContact CD2-CD1 4.46Å; L105-L112 HydrophobicContact CG-CD1 4Å; L105-F114 HydrophobicContact CB-CD2 4.17Å; L105-F114 HydrophobicContact CD1-CB 3.82Å; L105-F114 HydrophobicContact CD1-CD2 4.14Å; L105-F114 HydrophobicContact CD1-CG 4.45Å; L105-F163 HydrophobicContact CD1-CD1 3.92Å; L105-F163 HydrophobicContact CD1-CE1 3.56Å; L105-F163 HydrophobicContact CD1-CE2 4.48Å; L105-F163 HydrophobicContact CD1-CZ 3.87Å; L105-F163 HydrophobicContact CD2-CB 4.43Å; L105-F163 HydrophobicContact CD2-CD1 4.16Å; L105-F163 HydrophobicContact CD2-CG 4.12Å; L105-I175 HydrophobicContact CD2-CG2 3.84Å
106	T	98.6	Very high	97.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135.8	-176.4	-54.3	0	0	0	0	110.5	P76 I84 M87 Y113	P76-T106 HydrophobicContact CG-CG2 3.8Å; I84-T106 HydrophobicContact CB-CG2 4.43Å; I84-T106 HydrophobicContact CD1-CG2 4.14Å; I84-T106 HydrophobicContact CG1-CG2 3.98Å; I84-T106 HydrophobicContact CG2-CG2 3.74Å; M87-T106 HydrophobicContact CE-CG2 4.39Å; T106-Y113 PolarHBondContact N-O 2.83Å; T106-Y113 PolarHBondContact O-N 3.16Å
107	V	98.8	Very high	97.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.2	175.5	-175.7	0	0	0	0	108.1	K85 D86 L112 L129 I175 N178 L179	K85-V107 WeakPolarHBondContact CA-O 3.37Å; K85-V107 PolarHBondContact N-O 3.28Å; D86-V107 HydrophobicContact CB-CB 4.31Å; D86-V107 PolarHBondContact N-O 2.96Å; D86-V107 VanDerWaalsContact N-O 3.15Å; D86-V107 PolarHBondContact O-N 2.93Å; V107-L112 HydrophobicContact CG2-CD1 4.03Å; V107-L129 HydrophobicContact CG1-CD1 4.32Å; V107-I175 HydrophobicContact CG2-CD1 4.03Å; V107-I175 HydrophobicContact CG2-CG2 4.33Å; V107-N178 HydrophobicContact CG1-CB 4.43Å; V107-L179 HydrophobicContact CG1-CD2 4.24Å; V107-L179 HydrophobicContact CG2-CD2 4.04Å; V107-L179 HydrophobicContact CG2-CG 4.09Å
108	T	98.9	Very high	97.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-169.5	172.2	75.2	0	0	0	0	110.6	P76 L78 E82 N83 I84 Y110 R111 L129	P76-T108 HydrophobicContact CG-CG2 4.19Å; L78-T108 HydrophobicContact CD2-CG2 3.92Å; E82-T108 HydrophobicContact CG-CG2 4.15Å; E82-T108 WeakPolarHBondContact CG-OG1 3.43Å; E82-T108 WeakPolarHBondContact OE1-CB 3.47Å; E82-T108 WeakPolarHBondContact OE1-CG2 3.29Å; E82-T108 PolarHBondContact OE1-OG1 2.99Å; N83-T108 CarbonylContact O-C 3.55Å; N83-T108 VanDerWaalsContact O-CA 3.25Å; N83-T108 WeakPolarHBondContact O-CA 3.36Å; N83-T108 WeakPolarHBondContact O-CB 3.37Å; I84-T108 HydrophobicContact CG1-CG2 4.36Å; T108-Y110 PolarHBondContact OG1-N 2.98Å; T108-R111 HydrophobicContact CG2-CG 4.25Å; T108-R111 PolarHBondContact N-O 3.39Å; T108-R111 PolarHBondContact OG1-N 3.21Å; T108-R111 PolarHBondContact OG1-O 2.77Å; T108-L129 VanDerWaalsContact O-CD1 3.31Å; T108-L129 WeakPolarHBondContact O-CD1 3.37Å
109	N	98.7	Very high	97	Very high	9 Å²	9	28.3 Å²	28.3	5%	0.048	14%	0.144	C	C	.	.	S	Bend	trans	-77.9	-3.7	163.5	49	-19.6	0	0	0	113.6	G81 E82 N83 K85 Y182 F193 E196	G81-N109 PolarHBondContact O-ND2 3.44Å; G81-N109 VanDerWaalsContact O-ND2 3.16Å; E82-N109 WeakPolarHBondContact CA-OD1 3.41Å; N83-N109 PolarHBondContact N-OD1 2.82Å; N83-N109 PolarHBondContact O-N 3.42Å; N83-N109 PolarHBondContact O-OD1 2.81Å; K85-N109 VanDerWaalsContact CE-CB 3.5Å; N109-Y182 HydrophobicContact CB-CD1 4.3Å; N109-F193 HydrophobicContact CB-CD2 4.3Å; N109-E196 PolarHBondContact ND2-OE1 3Å; N109-E196 PolarHBondContact ND2-OE2 3.38Å
110	Y	98.8	Very high	96.8	Very high	22 Å²	22	34 Å²	34	9%	0.086	17%	0.166	C	C	.	.	S	Bend	trans	-123.7	-42.4	-177.7	176.3	-122.4	0	0	0	114.4	L79 T108 S128 L129 F193 L516	L79-Y110 HydrophobicContact CD1-CD1 3.91Å; L79-Y110 HydrophobicContact CD1-CE1 3.75Å; T108-Y110 PolarHBondContact OG1-N 2.98Å; Y110-S128 CarbonylContact O-C 3.59Å; Y110-S128 WeakPolarHBondContact O-CA 3.35Å; Y110-L129 WeakPolarHBondContact O-CG 3.48Å; Y110-L129 PolarHBondContact O-N 3.4Å; Y110-F193 HydrophobicContact CD1-CD1 4.44Å; Y110-F193 HydrophobicContact CD1-CE1 4.3Å; Y110-F193 HydrophobicContact CD2-CB 4Å; Y110-F193 AromaticContact CD2-CD1 3.27Å; Y110-F193 HydrophobicContact CD2-CD1 3.27Å; Y110-F193 AromaticContact CD2-CE1 3.93Å; Y110-F193 HydrophobicContact CD2-CE1 3.93Å; Y110-F193 AromaticContact CD2-CG 3.75Å; Y110-F193 HydrophobicContact CD2-CG 3.75Å; Y110-F193 HydrophobicContact CE2-CD1 4.07Å; Y110-F193 AromaticContact CG-CD1 3.51Å; Y110-F193 HydrophobicContact CG-CD1 3.51Å; Y110-F193 AromaticContact CG-CE1 3.71Å; Y110-F193 HydrophobicContact CG-CE1 3.71Å; Y110-F193 AromaticContact CG-CG 3.99Å; Y110-F193 HydrophobicContact CG-CG 3.99Å; Y110-F193 HydrophobicContact CG-CZ 4.36Å; Y110-L516 HydrophobicContact CD2-CD1 4.46Å; Y110-L516 HydrophobicContact CE2-CB 3.78Å; Y110-L516 HydrophobicContact CE2-CD1 4.08Å; Y110-L516 HydrophobicContact CE2-CG 4.41Å
111	R	98.6	Very high	96.6	Very high	24 Å²	24	36.5 Å²	36.5	9%	0.091	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	156.8	-170.8	82.9	-173.9	74.2	-155.6	6.7	114.1	P77 E82 T108 D126 A127	P77-R111 PolarHBondContact O-NH2 3.31Å; E82-R111 WeakPolarHBondContact OE1-CG 3.28Å; E82-R111 IonicContact OE1-CZ 3.74Å; E82-R111 IonicContact OE1-NE 3.62Å; E82-R111 PolarHBondContact OE1-NE 2.78Å; E82-R111 IonicContact OE1-NH2 3.3Å; E82-R111 IonicContact OE2-CZ 2.78Å; E82-R111 IonicContact OE2-NE 3.62Å; E82-R111 PolarHBondContact OE2-NE 3.41Å; E82-R111 IonicContact OE2-NH2 3.44Å; E82-R111 PolarHBondContact OE2-NH2 3.02Å; T108-R111 HydrophobicContact CG2-CG 4.25Å; T108-R111 PolarHBondContact N-O 3.39Å; T108-R111 PolarHBondContact OG1-N 3.21Å; T108-R111 PolarHBondContact OG1-O 2.77Å; R111-D126 WeakPolarHBondContact CD-OD1 3.34Å; R111-D126 WeakPolarHBondContact CD-OD2 3.46Å; R111-D126 IonicContact CZ-OD2 3.23Å; R111-D126 IonicContact NH1-OD1 2.75Å; R111-D126 IonicContact NH1-OD2 2.82Å; R111-D126 PolarHBondContact NH1-OD2 2.71Å; R111-A127 CarbonylContact C-O 3.55Å; R111-A127 WeakPolarHBondContact CA-O 3.48Å
112	L	98.8	Very high	96.4	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	117.7	157.7	-179.5	58	0	0	0	107.3	L105 V107 A127 L129 I132 T153 L161 F163 L179	L105-L112 HydrophobicContact CD1-CD1 3.52Å; L105-L112 HydrophobicContact CD1-CG 4.15Å; L105-L112 HydrophobicContact CD2-CD1 4.46Å; L105-L112 HydrophobicContact CG-CD1 4Å; V107-L112 HydrophobicContact CG2-CD1 4.03Å; L112-A127 PolarHBondContact N-O 3.48Å; L112-A127 PolarHBondContact O-N 3.19Å; L112-L129 HydrophobicContact CB-CD2 3.84Å; L112-I132 HydrophobicContact CD2-CD1 4.46Å; L112-T153 HydrophobicContact CD2-CG2 4.27Å; L112-L161 HydrophobicContact CD2-CD1 4.5Å; L112-F163 HydrophobicContact CD2-CE2 3.88Å; L112-F163 HydrophobicContact CD2-CZ 4.1Å; L112-L179 HydrophobicContact CD1-CD2 3.99Å; L112-L179 HydrophobicContact CD2-CD2 4.26Å
113	Y	98.8	Very high	96.4	Very high	14 Å²	14	36 Å²	36	6%	0.055	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.6	-179.6	-170.5	-101.6	0	0	0	109.8	P76 T106 K115 V124 L125 D126	P76-Y113 HydrophobicContact CB-CD1 3.7Å; P76-Y113 HydrophobicContact CB-CD2 4.09Å; P76-Y113 HydrophobicContact CB-CE1 4.17Å; P76-Y113 HydrophobicContact CB-CG 3.64Å; P76-Y113 HydrophobicContact CG-CD1 4.45Å; T106-Y113 PolarHBondContact N-O 2.83Å; T106-Y113 PolarHBondContact O-N 3.16Å; Y113-K115 HydrophobicContact CD1-CB 4.3Å; Y113-K115 HydrophobicContact CE1-CB 3.59Å; Y113-K115 HydrophobicContact CE1-CD 4.06Å; Y113-K115 HydrophobicContact CE1-CG 4.47Å; Y113-V124 HydrophobicContact CE2-CG1 3.63Å; Y113-L125 WeakPolarHBondContact CA-O 3.36Å; Y113-D126 HydrophobicContact CD2-CB 4.07Å; Y113-D126 WeakPolarHBondContact CD2-OD2 3.42Å; Y113-D126 HydrophobicContact CE2-CB 4.36Å
114	F	98.5	Very high	96.4	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.4	171	174.7	-92	0	0	0	109.2	V91 Y93 V101 T104 L105 F123 V124 L125 F163	V91-F114 WeakPolarHBondContact O-CE2 3.49Å; Y93-F114 HydrophobicContact CG-CD1 4.44Å; Y93-F114 HydrophobicContact CG-CE1 4.45Å; V101-F114 HydrophobicContact CG1-CE1 4Å; V101-F114 HydrophobicContact CG1-CZ 4.45Å; T104-F114 WeakPolarHBondContact O-CA 3.24Å; T104-F114 WeakPolarHBondContact O-CD2 3.48Å; L105-F114 HydrophobicContact CB-CD2 4.17Å; L105-F114 HydrophobicContact CD1-CB 3.82Å; L105-F114 HydrophobicContact CD1-CD2 4.14Å; L105-F114 HydrophobicContact CD1-CG 4.45Å; F114-F123 AromaticContact CD1-CD1 3.87Å; F114-F123 HydrophobicContact CD1-CD1 3.87Å; F114-F123 AromaticContact CD1-CE1 3.95Å; F114-F123 HydrophobicContact CD1-CE1 3.95Å; F114-F123 AromaticContact CE1-CD1 3.78Å; F114-F123 HydrophobicContact CE1-CD1 3.78Å; F114-F123 HydrophobicContact CE1-CE1 4.13Å; F114-V124 WeakPolarHBondContact O-CA 3.31Å; F114-L125 HydrophobicContact CB-CB 4.2Å; F114-L125 HydrophobicContact CB-CD2 4.42Å; F114-L125 PolarHBondContact N-O 2.79Å; F114-L125 PolarHBondContact O-N 2.75Å; F114-F163 HydrophobicContact CB-CE1 4Å; F114-F163 HydrophobicContact CD2-CD1 4.41Å; F114-F163 HydrophobicContact CD2-CE1 4.18Å; F114-F163 HydrophobicContact CG-CE1 4.09Å
115	K	97.8	Very high	96.4	Very high	39 Å²	39	39.5 Å²	39.5	17%	0.17	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	142.7	176.2	-177.9	166.2	169.4	-170.4	0	110.7	M73 E74 G103 T104 Y113 F123 V124	M73-K115 WeakPolarHBondContact O-CE 3.43Å; M73-K115 PolarHBondContact O-NZ 3.32Å; E74-K115 HydrophobicContact CB-CB 4.49Å; E74-K115 HydrophobicContact CG-CG 4.24Å; G103-K115 CarbonylContact C-O 3.2Å; G103-K115 WeakPolarHBondContact CA-O 3.45Å; T104-K115 PolarHBondContact N-O 3.38Å; T104-K115 PolarHBondContact O-N 3.35Å; T104-K115 VanDerWaalsContact O-N 3.08Å; Y113-K115 HydrophobicContact CD1-CB 4.3Å; Y113-K115 HydrophobicContact CE1-CB 3.59Å; Y113-K115 HydrophobicContact CE1-CD 4.06Å; Y113-K115 HydrophobicContact CE1-CG 4.47Å; K115-F123 CarbonylContact C-O 3.57Å; K115-F123 VanDerWaalsContact CA-O 3.31Å; K115-F123 WeakPolarHBondContact CA-O 3.45Å; K115-V124 HydrophobicContact CD-CG2 4.19Å; K115-V124 HydrophobicContact CG-CG2 4.14Å
116	S	96.4	Very high	96.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	126.5	175.1	170.6	0	0	0	0	110.4	V101 R102 E118 P122 F123	V101-S116 VanDerWaalsContact CG2-OG 3.24Å; V101-S116 WeakPolarHBondContact CG2-OG 3.27Å; R102-S116 WeakPolarHBondContact O-CB 3.42Å; R102-S116 PolarHBondContact O-OG 2.72Å; S116-E118 VanDerWaalsContact C-N 3.27Å; S116-E118 WeakPolarHBondContact OG-CB 3.33Å; S116-E118 PolarHBondContact OG-N 3.28Å; S116-E118 VanDerWaalsContact OG-N 3.08Å; S116-P122 CarbonylContact O-C 3.51Å; S116-P122 WeakPolarHBondContact O-CA 3.31Å; S116-F123 PolarHBondContact N-O 3.43Å; S116-F123 PolarHBondContact O-N 2.97Å
117	M	94.2	Very high	96.4	Very high	70 Å²	70	42.7 Å²	42.7	35%	0.345	22%	0.22	S	C	.	.	S	Bend	trans	-83.6	5.1	169.9	-55.3	-60.5	-65.8	0	0	113.2	M73 E74 R119 P122	M73-M117 HydrophobicContact CE-CE 4.17Å; E74-M117 HydrophobicContact CG-CG 3.88Å; E74-M117 WeakPolarHBondContact OE1-CG 3.48Å; E74-M117 PolarHBondContact OE1-N 2.84Å; E74-M117 VanDerWaalsContact OE1-N 3.11Å; M117-R119 PolarHBondContact O-N 3.03Å; M117-P122 HydrophobicContact CE-CB 4.45Å; M117-P122 HydrophobicContact CE-CG 3.72Å; M117-P122 HydrophobicContact SD-CB 3.75Å; M117-P122 HydrophobicContact SD-CG 3.68Å
118	E	92.9	Very high	96.4	Very high	118 Å²	118	43.4 Å²	43.4	55%	0.551	23%	0.225	S	C	*	.	S	Bend	trans	-72.1	-2.9	177	-62.3	-173.2	148.6	0	0	113.6	R102 S116	R102-E118 WeakPolarHBondContact CB-OE2 3.48Å; R102-E118 PolarHBondContact N-OE2 3.02Å; S116-E118 VanDerWaalsContact C-N 3.27Å; S116-E118 WeakPolarHBondContact OG-CB 3.33Å; S116-E118 PolarHBondContact OG-N 3.28Å; S116-E118 VanDerWaalsContact OG-N 3.08Å
119	R	90.6	Very high	96.4	Very high	90 Å²	90	43.6 Å²	43.6	34%	0.34	23%	0.226	S	C	.	.	S	Bend	trans	-132.2	153.9	179.7	-59.9	-167.8	-177	-147.6	0.9	110.6	T98 A100 V101 M117 P121 P122	T98-R119 PolarHBondContact O-NH1 3.36Å; T98-R119 PolarHBondContact O-NH2 3.24Å; T98-R119 PolarHBondContact OG1-NH1 3.34Å; A100-R119 PolarHBondContact O-NH2 3.21Å; A100-R119 VanDerWaalsContact O-NH2 3.08Å; V101-R119 HydrophobicContact CG2-CG 4.31Å; M117-R119 PolarHBondContact O-N 3.03Å; R119-P121 CarbonylContact C-O 3.51Å; R119-P121 CarbonylContact O-C 3.6Å; R119-P122 VanDerWaalsContact O-CA 3.29Å; R119-P122 WeakPolarHBondContact O-CA 3.46Å
120	D	90.4	Very high	96.4	Very high	157 Å²	157	43.6 Å²	43.6	84%	0.84	23%	0.228	S	C	*	.	S	Bend	trans	-120.1	120.4	172.3	-171	20.6	0	0	0	109.5
121	P	91.8	Very high	96.4	Very high	105 Å²	105	42.7 Å²	42.7	68%	0.682	23%	0.225	S	C	*	.	S	Bend	cis	-62.5	160.1	-9.4	29.6	-36.3	0	0	0	112.3	R119 F123	R119-P121 CarbonylContact C-O 3.51Å; R119-P121 CarbonylContact O-C 3.6Å; P121-F123 PolarHBondContact O-N 2.81Å
122	P	93.9	Very high	96.4	Very high	51 Å²	51	41.7 Å²	41.7	33%	0.331	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-50.9	133.9	178.5	-30.2	36.8	0	0	0	112.7	S116 M117 R119 V124	S116-P122 CarbonylContact O-C 3.51Å; S116-P122 WeakPolarHBondContact O-CA 3.31Å; M117-P122 HydrophobicContact CE-CB 4.45Å; M117-P122 HydrophobicContact CE-CG 3.72Å; M117-P122 HydrophobicContact SD-CB 3.75Å; M117-P122 HydrophobicContact SD-CG 3.68Å; R119-P122 VanDerWaalsContact O-CA 3.29Å; R119-P122 WeakPolarHBondContact O-CA 3.46Å; P122-V124 PolarHBondContact O-N 3.27Å
123	F	95.5	Very high	96.4	Very high	41 Å²	41	42.7 Å²	42.7	18%	0.18	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	120	177.5	-177.3	-84.5	0	0	0	109.2	Y93 V101 F114 K115 S116 P121 L125	Y93-F123 AromaticContact CD1-CE1 3.51Å; Y93-F123 HydrophobicContact CD1-CE1 3.51Å; Y93-F123 AromaticContact CD1-CZ 3.63Å; Y93-F123 HydrophobicContact CD1-CZ 3.63Å; Y93-F123 AromaticContact CE1-CE1 3.83Å; Y93-F123 HydrophobicContact CE1-CE1 3.83Å; Y93-F123 AromaticContact CE1-CZ 3.49Å; Y93-F123 HydrophobicContact CE1-CZ 3.49Å; Y93-F123 VanDerWaalsContact CE1-CZ 3.49Å; Y93-F123 HydrophobicContact CG-CE1 4.47Å; V101-F123 HydrophobicContact CG1-CD1 3.98Å; V101-F123 HydrophobicContact CG1-CE1 4.27Å; V101-F123 HydrophobicContact CG1-CG 4.15Å; V101-F123 HydrophobicContact CG2-CB 4.31Å; F114-F123 AromaticContact CD1-CD1 3.87Å; F114-F123 HydrophobicContact CD1-CD1 3.87Å; F114-F123 AromaticContact CD1-CE1 3.95Å; F114-F123 HydrophobicContact CD1-CE1 3.95Å; F114-F123 AromaticContact CE1-CD1 3.78Å; F114-F123 HydrophobicContact CE1-CD1 3.78Å; F114-F123 HydrophobicContact CE1-CE1 4.13Å; K115-F123 CarbonylContact C-O 3.57Å; K115-F123 VanDerWaalsContact CA-O 3.31Å; K115-F123 WeakPolarHBondContact CA-O 3.45Å; S116-F123 PolarHBondContact N-O 3.43Å; S116-F123 PolarHBondContact O-N 2.97Å; P121-F123 PolarHBondContact O-N 2.81Å; F123-L125 HydrophobicContact CE1-CB 3.9Å; F123-L125 HydrophobicContact CZ-CB 4.49Å
124	V	96.6	Very high	96.3	Very high	72 Å²	72	46.1 Å²	46.1	44%	0.436	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.4	177.7	179.9	0	0	0	0	110.1	Y113 F114 K115 P122	Y113-V124 HydrophobicContact CE2-CG1 3.63Å; F114-V124 WeakPolarHBondContact O-CA 3.31Å; K115-V124 HydrophobicContact CD-CG2 4.19Å; K115-V124 HydrophobicContact CG-CG2 4.14Å; P122-V124 PolarHBondContact O-N 3.27Å
125	L	97.9	Very high	96.3	Very high	14 Å²	14	46.7 Å²	46.7	7%	0.073	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	110.6	170.8	164.2	64.2	0	0	0	108	Y93 Y113 F114 F123 L161 F163	Y93-L125 HydrophobicContact CD1-CD2 4.37Å; Y93-L125 HydrophobicContact CD2-CD2 3.79Å; Y93-L125 HydrophobicContact CE1-CD2 4.2Å; Y93-L125 HydrophobicContact CE2-CD2 3.6Å; Y93-L125 HydrophobicContact CG-CD2 4.18Å; Y113-L125 WeakPolarHBondContact CA-O 3.36Å; F114-L125 HydrophobicContact CB-CB 4.2Å; F114-L125 HydrophobicContact CB-CD2 4.42Å; F114-L125 PolarHBondContact N-O 2.79Å; F114-L125 PolarHBondContact O-N 2.75Å; F123-L125 HydrophobicContact CE1-CB 3.9Å; F123-L125 HydrophobicContact CZ-CB 4.49Å; L125-L161 HydrophobicContact CD1-CD1 4.21Å; L125-L161 HydrophobicContact CD1-CD2 3.88Å; L125-L161 HydrophobicContact CD2-CD1 4.2Å; L125-L161 HydrophobicContact CD2-CD2 3.96Å; L125-F163 HydrophobicContact CD2-CE1 4.03Å; L125-F163 HydrophobicContact CD2-CZ 3.74Å
126	D	98.3	Very high	96.3	Very high	61 Å²	61	48 Å²	48	33%	0.326	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.7	174.9	-161.5	-38	0	0	0	109.3	R111 Y113	R111-D126 WeakPolarHBondContact CD-OD1 3.34Å; R111-D126 WeakPolarHBondContact CD-OD2 3.46Å; R111-D126 IonicContact CZ-OD2 3.23Å; R111-D126 IonicContact NH1-OD1 2.75Å; R111-D126 IonicContact NH1-OD2 2.82Å; R111-D126 PolarHBondContact NH1-OD2 2.71Å; Y113-D126 HydrophobicContact CD2-CB 4.07Å; Y113-D126 WeakPolarHBondContact CD2-OD2 3.42Å; Y113-D126 HydrophobicContact CE2-CB 4.36Å
127	A	98.6	Very high	96.3	Very high	5 Å²	5	52.8 Å²	52.8	4%	0.041	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	127.1	175.6	0	0	0	0	0	110.3	R111 L112 V131 L161	R111-A127 CarbonylContact C-O 3.55Å; R111-A127 WeakPolarHBondContact CA-O 3.48Å; L112-A127 PolarHBondContact N-O 3.48Å; L112-A127 PolarHBondContact O-N 3.19Å; A127-V131 HydrophobicContact CB-CG2 4.25Å; A127-L161 HydrophobicContact CB-CD1 4.24Å
128	S	98.8	Very high	96.3	Very high	16 Å²	16	51.2 Å²	51.2	11%	0.112	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	141	171.1	59.6	0	0	0	0	110.8	Y110 G130 V131 S514	Y110-S128 CarbonylContact O-C 3.59Å; Y110-S128 WeakPolarHBondContact O-CA 3.35Å; S128-G130 PolarHBondContact O-N 2.76Å; S128-V131 WeakPolarHBondContact O-CG2 3.45Å; S128-V131 PolarHBondContact O-N 3.31Å; S128-V131 VanDerWaalsContact O-N 3.15Å; S128-S514 WeakPolarHBondContact OG-CA 3.34Å
129	L	98.9	Very high	96.2	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.016	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-64.1	-25.2	-179.3	-63.3	174.7	0	0	0	111.8	V107 T108 Y110 L112 V131 I132 L179 A183	V107-L129 HydrophobicContact CG1-CD1 4.32Å; T108-L129 VanDerWaalsContact O-CD1 3.31Å; T108-L129 WeakPolarHBondContact O-CD1 3.37Å; Y110-L129 WeakPolarHBondContact O-CG 3.48Å; Y110-L129 PolarHBondContact O-N 3.4Å; L112-L129 HydrophobicContact CB-CD2 3.84Å; L129-V131 VanDerWaalsContact C-N 3.27Å; L129-V131 PolarHBondContact O-N 2.89Å; L129-I132 HydrophobicContact CD2-CD1 3.77Å; L129-I132 VanDerWaalsContact O-CB 3.32Å; L129-I132 WeakPolarHBondContact O-CB 3.26Å; L129-I132 PolarHBondContact O-N 2.74Å; L129-L179 HydrophobicContact CD2-CD2 3.76Å; L129-A183 HydrophobicContact CB-CB 4.01Å; L129-A183 HydrophobicContact CD2-CB 4.5Å
130	G	98.6	Very high	95.9	Very high	9 Å²	9	44 Å²	44	9%	0.093	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-64.2	-21.8	175.6	0	0	0	0	0	115.3	S128 I132 K156 Y513	S128-G130 PolarHBondContact O-N 2.76Å; G130-I132 VanDerWaalsContact C-N 3.3Å; G130-K156 WeakPolarHBondContact O-CE 3.23Å; G130-K156 PolarHBondContact O-NZ 3.36Å; G130-Y513 CarbonylContact C-O 3.55Å; G130-Y513 VanDerWaalsContact C-O 3.29Å; G130-Y513 VanDerWaalsContact CA-O 3.24Å; G130-Y513 WeakPolarHBondContact CA-O 3.48Å
131	V	98.8	Very high	95.3	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.018	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-75	-17	169.8	-62.9	0	0	0	0	113	A127 S128 L129 S133 C155 K156 D157 Y513	A127-V131 HydrophobicContact CB-CG2 4.25Å; S128-V131 WeakPolarHBondContact O-CG2 3.45Å; S128-V131 PolarHBondContact O-N 3.31Å; S128-V131 VanDerWaalsContact O-N 3.15Å; L129-V131 VanDerWaalsContact C-N 3.27Å; L129-V131 PolarHBondContact O-N 2.89Å; V131-S133 PolarHBondContact O-N 3.39Å; V131-C155 HydrophobicContact CB-CB 4.48Å; V131-C155 HydrophobicContact CG2-CB 4.29Å; V131-C155 CarbonylContact O-C 3.59Å; V131-C155 VanDerWaalsContact O-CA 3.23Å; V131-C155 WeakPolarHBondContact O-CA 3.37Å; V131-K156 WeakPolarHBondContact O-CG 3.01Å; V131-K156 PolarHBondContact O-N 3.01Å; V131-D157 HydrophobicContact CB-CB 4.44Å; V131-D157 HydrophobicContact CG1-CB 4.13Å; V131-Y513 HydrophobicContact CG1-CD2 4.22Å; V131-Y513 HydrophobicContact CG1-CG 4.19Å
132	I	98.9	Very high	94.8	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.015	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	125.9	-179.8	-58.6	175.7	0	0	0	108.9	L112 L129 G130 V135 T153 L179 A183 F184	L112-I132 HydrophobicContact CD2-CD1 4.46Å; L129-I132 HydrophobicContact CD2-CD1 3.77Å; L129-I132 VanDerWaalsContact O-CB 3.32Å; L129-I132 WeakPolarHBondContact O-CB 3.26Å; L129-I132 PolarHBondContact O-N 2.74Å; G130-I132 VanDerWaalsContact C-N 3.3Å; I132-V135 HydrophobicContact CG2-CG2 3.75Å; I132-T153 HydrophobicContact CD1-CG2 4.2Å; I132-L179 HydrophobicContact CD1-CD2 4.03Å; I132-A183 HydrophobicContact CB-CB 4.1Å; I132-A183 HydrophobicContact CD1-CB 4.11Å; I132-A183 HydrophobicContact CG2-CB 4.34Å; I132-F184 HydrophobicContact CG2-CZ 4.06Å
133	S	98.2	Very high	94.4	Very high	24 Å²	24	42 Å²	42	17%	0.168	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-42.4	176.5	-164.8	0	0	0	0	111.3	V131 V154 F184 H471	V131-S133 PolarHBondContact O-N 3.39Å; S133-V154 WeakPolarHBondContact CA-O 3.44Å; S133-V154 VanDerWaalsContact CB-O 3.26Å; S133-V154 WeakPolarHBondContact CB-O 3.48Å; S133-V154 PolarHBondContact N-O 2.96Å; S133-F184 WeakPolarHBondContact O-CE1 3.4Å; S133-F184 WeakPolarHBondContact O-CZ 3.38Å; S133-H471 WeakPolarHBondContact O-CB 3.49Å
134	R	97.8	Very high	93.6	Very high	87 Å²	87	51.6 Å²	51.6	33%	0.328	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	157.6	173.6	63.2	174.9	-161.1	-152.5	11.9	111.4	E136 T153 V154 H471	R134-E136 VanDerWaalsContact CZ-CD 3.42Å; R134-E136 IonicContact CZ-OE1 3.66Å; R134-E136 IonicContact CZ-OE2 2.66Å; R134-E136 IonicContact NE-OE1 3.85Å; R134-E136 PolarHBondContact NE-OE1 3.43Å; R134-E136 VanDerWaalsContact NE-OE1 3.11Å; R134-E136 IonicContact NE-OE2 3.65Å; R134-E136 PolarHBondContact NE-OE2 3.11Å; R134-E136 IonicContact NH1-OE1 2.69Å; R134-E136 VanDerWaalsContact NH2-CD 3.3Å; R134-E136 IonicContact NH2-OE1 3.95Å; R134-E136 PolarHBondContact NH2-OE1 2.89Å; R134-E136 VanDerWaalsContact NH2-OE1 3.13Å; R134-E136 IonicContact NH2-OE2 3.28Å; R134-E136 PolarHBondContact NH2-OE2 2.91Å; R134-T153 WeakPolarHBondContact O-CA 3.4Å; R134-V154 HydrophobicContact CG-CB 3.76Å; R134-V154 HydrophobicContact CG-CG2 4.04Å; R134-V154 PolarHBondContact N-O 3.22Å; R134-V154 PolarHBondContact O-N 3.11Å; R134-H471 HydrophobicContact CB-CB 4.22Å
135	V	98.5	Very high	92.9	Very high	13 Å²	13	50.4 Å²	50.4	8%	0.079	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	124.8	173.9	-172.1	0	0	0	0	108.5	I132 E152 T153 F176 L179 M180 F184	I132-V135 HydrophobicContact CG2-CG2 3.75Å; V135-E152 CarbonylContact C-O 3.57Å; V135-E152 WeakPolarHBondContact CA-O 3.48Å; V135-T153 HydrophobicContact CG1-CG2 4.3Å; V135-T153 HydrophobicContact CG2-CG2 4.25Å; V135-F176 HydrophobicContact CB-CD2 4.5Å; V135-F176 HydrophobicContact CB-CE2 4.28Å; V135-F176 HydrophobicContact CG1-CD2 3.75Å; V135-F176 HydrophobicContact CG1-CE2 3.98Å; V135-L179 HydrophobicContact CG1-CB 4.49Å; V135-L179 HydrophobicContact CG1-CD1 4.21Å; V135-L179 HydrophobicContact CG2-CB 4.21Å; V135-M180 HydrophobicContact CB-SD 3.85Å; V135-M180 HydrophobicContact CG2-SD 4.11Å; V135-F184 HydrophobicContact CG2-CE2 4.16Å
136	E	97.4	Very high	92.4	Very high	66 Å²	66	58.1 Å²	58.1	31%	0.308	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	143.6	-175.6	-69.1	175.8	129.3	0	0	110.8	R134 L151 E152	R134-E136 VanDerWaalsContact CZ-CD 3.42Å; R134-E136 IonicContact CZ-OE1 3.66Å; R134-E136 IonicContact CZ-OE2 2.66Å; R134-E136 IonicContact NE-OE1 3.85Å; R134-E136 PolarHBondContact NE-OE1 3.43Å; R134-E136 VanDerWaalsContact NE-OE1 3.11Å; R134-E136 IonicContact NE-OE2 3.65Å; R134-E136 PolarHBondContact NE-OE2 3.11Å; R134-E136 IonicContact NH1-OE1 2.69Å; R134-E136 VanDerWaalsContact NH2-CD 3.3Å; R134-E136 IonicContact NH2-OE1 3.95Å; R134-E136 PolarHBondContact NH2-OE1 2.89Å; R134-E136 VanDerWaalsContact NH2-OE1 3.13Å; R134-E136 IonicContact NH2-OE2 3.28Å; R134-E136 PolarHBondContact NH2-OE2 2.91Å; E136-L151 CarbonylContact O-C 3.46Å; E136-L151 WeakPolarHBondContact O-CA 3.42Å; E136-E152 PolarHBondContact N-O 2.77Å; E136-E152 PolarHBondContact O-N 3.44Å
137	K	96.8	Very high	91.9	Very high	101 Å²	101	57.4 Å²	57.4	44%	0.439	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	115.9	174.4	-72.7	175.2	-177.7	164.6	0	108.9	L151 F176	K137-L151 HydrophobicContact CG-CD2 3.9Å; K137-F176 HydrophobicContact CD-CD2 4.28Å; K137-F176 HydrophobicContact CD-CE2 4.28Å; K137-F176 HydrophobicContact CD-CG 4.42Å; K137-F176 HydrophobicContact CD-CZ 4.43Å; K137-F176 VanDerWaalsContact CE-CD2 3.47Å; K137-F176 HydrophobicContact CG-CD2 3.77Å; K137-F176 HydrophobicContact CG-CE2 3.85Å; K137-F176 HydrophobicContact CG-CG 4.3Å; K137-F176 HydrophobicContact CG-CZ 4.47Å; K137-F176 VanDerWaalsContact NZ-CD1 3.35Å; K137-F176 VanDerWaalsContact NZ-CE1 3.35Å
138	I	94.2	Very high	91.5	Very high	37 Å²	37	58.4 Å²	58.4	19%	0.19	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	127.3	175.3	-51.6	-55.5	0	0	0	108.7	G150 E152 R172	I138-G150 PolarHBondContact N-O 2.87Å; I138-G150 PolarHBondContact O-N 2.77Å; I138-G150 VanDerWaalsContact O-O 3.07Å; I138-E152 HydrophobicContact CD1-CB 3.93Å; I138-E152 HydrophobicContact CG1-CB 3.86Å; I138-R172 PolarHBondContact O-NH1 2.73Å
139	G	89.3	Confident	91.3	Very high	32 Å²	32	60 Å²	60	33%	0.33	34%	0.339	S	S	.	.			trans	70	170.8	178	0	0	0	0	0	116.2	S143 S148 R172	G139-S143 WeakPolarHBondContact CA-OG 3.5Å; G139-S148 WeakPolarHBondContact CA-O 3.48Å; G139-R172 PolarHBondContact O-NH1 3.11Å
140	G	85.2	Confident	91.2	Very high	25 Å²	25	59.9 Å²	59.9	26%	0.258	34%	0.339	S	S	.	.			trans	-153.1	-160.1	-175.2	0	0	0	0	0	112.4	S142 S143	G140-S142 PolarHBondContact O-N 3.23Å; G140-S142 VanDerWaalsContact O-N 3.16Å; G140-S143 PolarHBondContact N-OG 3.06Å; G140-S143 WeakPolarHBondContact O-CB 3.44Å; G140-S143 PolarHBondContact O-N 2.91Å; G140-S143 PolarHBondContact O-OG 3.32Å
141	A	77.1	Confident	91.1	Very high	121 Å²	121	59.6 Å²	59.6	100%	1	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.9	-177	0	0	0	0	0	114.3
142	S	81.5	Confident	91.1	Very high	105 Å²	105	61.5 Å²	61.5	73%	0.734	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-5	176.4	50.7	0	0	0	0	114.2	G140 R144	G140-S142 PolarHBondContact O-N 3.23Å; G140-S142 VanDerWaalsContact O-N 3.16Å; S142-R144 PolarHBondContact O-N 2.93Å
143	S	85.6	Confident	91.1	Very high	43 Å²	43	61.4 Å²	61.4	30%	0.301	34%	0.344	S	S	.	.			trans	-78.4	103.7	-176.4	-63.3	0	0	0	0	111.1	G139 G140 S148	G139-S143 WeakPolarHBondContact CA-OG 3.5Å; G140-S143 PolarHBondContact N-OG 3.06Å; G140-S143 WeakPolarHBondContact O-CB 3.44Å; G140-S143 PolarHBondContact O-N 2.91Å; G140-S143 PolarHBondContact O-OG 3.32Å; S143-S148 WeakPolarHBondContact CB-OG 3.25Å
144	R	78.9	Confident	91.1	Very high	244 Å²	244	61.3 Å²	61.3	92%	0.921	34%	0.342	S	S	*	.			trans	-102	-5.1	-177.6	-62.8	-177.1	-179	-177.1	0	114.8	S142	S142-R144 PolarHBondContact O-N 2.93Å
145	G	82.6	Confident	91.2	Very high	47 Å²	47	57.4 Å²	57.4	49%	0.485	33%	0.328	S	S	.	.	S	Bend	trans	-78.1	153	-179.4	0	0	0	0	0	112.4	N147 S148	G145-N147 PolarHBondContact O-N 3.07Å; G145-S148 WeakPolarHBondContact CA-OG 3.27Å; G145-S148 PolarHBondContact N-OG 3.47Å; G145-S148 VanDerWaalsContact O-CB 3.25Å; G145-S148 WeakPolarHBondContact O-CB 3.45Å; G145-S148 PolarHBondContact O-N 3.15Å; G145-S148 PolarHBondContact O-OG 3.23Å
146	E	85.9	Confident	91.2	Very high	175 Å²	175	58.1 Å²	58.1	82%	0.818	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	137.5	172.1	-155.9	-161.6	148.4	0	0	110.5	S148	E146-S148 PolarHBondContact O-N 3.12Å
147	N	89	Confident	91.2	Very high	46 Å²	46	55 Å²	55	25%	0.246	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	22.7	-179.7	-56.3	-56.7	0	0	0	115	I94 G145 A164	I94-N147 HydrophobicContact CD1-CB 3.88Å; G145-N147 PolarHBondContact O-N 3.07Å; N147-A164 HydrophobicContact CB-CB 3.69Å
148	S	90.4	Very high	91.3	Very high	27 Å²	27	50.3 Å²	50.3	19%	0.189	30%	0.295	C	S	.	.			trans	-89.8	-10.4	-176	70.6	0	0	0	0	115	G139 S143 G145 E146	G139-S148 WeakPolarHBondContact CA-O 3.48Å; S143-S148 WeakPolarHBondContact CB-OG 3.25Å; G145-S148 WeakPolarHBondContact CA-OG 3.27Å; G145-S148 PolarHBondContact N-OG 3.47Å; G145-S148 VanDerWaalsContact O-CB 3.25Å; G145-S148 WeakPolarHBondContact O-CB 3.45Å; G145-S148 PolarHBondContact O-N 3.15Å; G145-S148 PolarHBondContact O-OG 3.23Å; E146-S148 PolarHBondContact O-N 3.12Å
149	Y	93.9	Very high	91.5	Very high	48 Å²	48	49.3 Å²	49.3	19%	0.188	29%	0.289	C	S	.	.	S	Bend	trans	-108.9	120	175	-176.8	-85.8	0	0	0	109.3	A164 H165 P167 R172	Y149-A164 WeakPolarHBondContact O-CA 3.08Å; Y149-H165 HydrophobicContact CD1-CB 4.25Å; Y149-H165 WeakPolarHBondContact CD1-O 3.46Å; Y149-H165 HydrophobicContact CE1-CB 4.44Å; Y149-H165 PolarHBondContact O-N 3.42Å; Y149-P167 HydrophobicContact CD1-CG 4.04Å; Y149-P167 HydrophobicContact CD2-CG 4.24Å; Y149-P167 HydrophobicContact CE1-CB 4.48Å; Y149-P167 HydrophobicContact CE1-CG 4.38Å; Y149-P167 HydrophobicContact CG-CG 3.96Å; Y149-R172 HydrophobicContact CE1-CB 3.75Å; Y149-R172 VanDerWaalsContact CE1-CD 3.42Å; Y149-R172 HydrophobicContact CE1-CG 4.15Å; Y149-R172 VanDerWaalsContact CE1-NE 3.28Å; Y149-R172 VanDerWaalsContact CE2-CZ 3.42Å; Y149-R172 VanDerWaalsContact CE2-NH2 3.3Å; Y149-R172 PolarHBondContact OH-NE 3.42Å; Y149-R172 PolarHBondContact OH-NH2 2.98Å
150	G	96.1	Very high	91.9	Very high	2 Å²	2	48.8 Å²	48.8	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.5	-165	-169.6	0	0	0	0	0	115.6	I138 F163 R172	I138-G150 PolarHBondContact N-O 2.87Å; I138-G150 PolarHBondContact O-N 2.77Å; I138-G150 VanDerWaalsContact O-O 3.07Å; G150-F163 CarbonylContact C-O 3.33Å; G150-F163 WeakPolarHBondContact CA-O 3.36Å; G150-R172 VanDerWaalsContact O-CD 3.29Å; G150-R172 WeakPolarHBondContact O-CD 3.41Å; G150-R172 PolarHBondContact O-NH1 3.02Å
151	L	97.9	Very high	92.5	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.9	175.4	-59.7	-179.4	0	0	0	110.3	E136 K137 R162 F163 R172 I175 F176 L179	E136-L151 CarbonylContact O-C 3.46Å; E136-L151 WeakPolarHBondContact O-CA 3.42Å; K137-L151 HydrophobicContact CG-CD2 3.9Å; L151-R162 WeakPolarHBondContact O-CA 3.13Å; L151-F163 PolarHBondContact N-O 3.44Å; L151-F163 PolarHBondContact O-N 3.17Å; L151-R172 HydrophobicContact CD1-CG 4.38Å; L151-R172 HydrophobicContact CD2-CG 3.68Å; L151-R172 HydrophobicContact CG-CG 3.83Å; L151-I175 HydrophobicContact CD1-CB 4.26Å; L151-I175 HydrophobicContact CD1-CG2 3.76Å; L151-F176 HydrophobicContact CD1-CB 4.07Å; L151-F176 HydrophobicContact CD2-CB 4.01Å; L151-F176 HydrophobicContact CD2-CD2 3.86Å; L151-F176 HydrophobicContact CD2-CG 4.38Å; L151-L179 HydrophobicContact CD1-CD1 4.24Å
152	E	98.5	Very high	93.5	Very high	44 Å²	44	46.5 Å²	46.5	21%	0.206	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.7	167.9	-175.8	166.5	174.5	0	0	109.8	V135 E136 I138 V154 S160 L161	V135-E152 CarbonylContact C-O 3.57Å; V135-E152 WeakPolarHBondContact CA-O 3.48Å; E136-E152 PolarHBondContact N-O 2.77Å; E136-E152 PolarHBondContact O-N 3.44Å; I138-E152 HydrophobicContact CD1-CB 3.93Å; I138-E152 HydrophobicContact CG1-CB 3.86Å; E152-V154 HydrophobicContact CG-CG2 4.49Å; E152-S160 WeakPolarHBondContact OE1-CB 3.44Å; E152-L161 CarbonylContact C-O 3.31Å; E152-L161 VanDerWaalsContact CA-O 3.32Å; E152-L161 WeakPolarHBondContact CA-O 3.32Å
153	T	98.6	Very high	94.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	117.4	172.1	65.5	0	0	0	0	108.7	L112 I132 R134 V135 S160 L161 L179	L112-T153 HydrophobicContact CD2-CG2 4.27Å; I132-T153 HydrophobicContact CD1-CG2 4.2Å; R134-T153 WeakPolarHBondContact O-CA 3.4Å; V135-T153 HydrophobicContact CG1-CG2 4.3Å; V135-T153 HydrophobicContact CG2-CG2 4.25Å; T153-S160 CarbonylContact O-C 3.22Å; T153-S160 VanDerWaalsContact O-CA 3.31Å; T153-S160 WeakPolarHBondContact O-CA 3.38Å; T153-L161 PolarHBondContact N-O 3.45Å; T153-L161 PolarHBondContact O-N 3.29Å; T153-L161 WeakPolarHBondContact OG1-CB 3.41Å; T153-L179 HydrophobicContact CG2-CD1 4.14Å
154	V	98.6	Very high	94.9	Very high	22 Å²	22	39.7 Å²	39.7	13%	0.133	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	119	176.5	-178.8	0	0	0	0	108.4	S133 R134 E152	S133-V154 WeakPolarHBondContact CA-O 3.44Å; S133-V154 VanDerWaalsContact CB-O 3.26Å; S133-V154 WeakPolarHBondContact CB-O 3.48Å; S133-V154 PolarHBondContact N-O 2.96Å; R134-V154 HydrophobicContact CG-CB 3.76Å; R134-V154 HydrophobicContact CG-CG2 4.04Å; R134-V154 PolarHBondContact N-O 3.22Å; R134-V154 PolarHBondContact O-N 3.11Å; E152-V154 HydrophobicContact CG-CG2 4.49Å
155	C	98.8	Very high	95.7	Very high	5 Å²	5	28.5 Å²	28.5	3%	0.034	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	155.9	-169.2	-52.9	0	0	0	0	113	V131 D157 R159 K367	V131-C155 HydrophobicContact CB-CB 4.48Å; V131-C155 HydrophobicContact CG2-CB 4.29Å; V131-C155 CarbonylContact O-C 3.59Å; V131-C155 VanDerWaalsContact O-CA 3.23Å; V131-C155 WeakPolarHBondContact O-CA 3.37Å; C155-D157 VanDerWaalsContact C-N 3.35Å; C155-D157 WeakPolarHBondContact CB-OD1 3.32Å; C155-R159 HydrophobicContact CB-CG 4.24Å; C155-R159 WeakPolarHBondContact CB-O 3.37Å; C155-R159 PolarHBondContact N-O 3.32Å; C155-K367 PolarHBondContact O-NZ 3.32Å
156	K	98.8	Very high	96	Very high	29 Å²	29	30.1 Å²	30.1	13%	0.126	14%	0.143	C	C	.	.	S	Bend	trans	-73.5	-26.8	178.5	-62.7	169.6	-170.6	169.5	0	112.2	G130 V131 I158 V464 G465 Y513	G130-K156 WeakPolarHBondContact O-CE 3.23Å; G130-K156 PolarHBondContact O-NZ 3.36Å; V131-K156 WeakPolarHBondContact O-CG 3.01Å; V131-K156 PolarHBondContact O-N 3.01Å; K156-I158 PolarHBondContact O-N 3.11Å; K156-I158 VanDerWaalsContact O-N 3.16Å; K156-V464 HydrophobicContact CD-CG1 4.25Å; K156-V464 PolarHBondContact NZ-O 3.1Å; K156-G465 PolarHBondContact NZ-O 3.14Å; K156-Y513 HydrophobicContact CB-CD1 3.95Å; K156-Y513 HydrophobicContact CB-CD2 4.4Å; K156-Y513 HydrophobicContact CB-CE1 3.95Å; K156-Y513 HydrophobicContact CB-CE2 4.39Å; K156-Y513 HydrophobicContact CB-CG 4.2Å; K156-Y513 HydrophobicContact CD-CD1 3.55Å; K156-Y513 HydrophobicContact CD-CE1 4.02Å; K156-Y513 HydrophobicContact CD-CG 4.22Å; K156-Y513 HydrophobicContact CG-CD1 4.36Å; K156-Y513 HydrophobicContact CG-CE1 4.5Å
157	D	98.3	Very high	95.9	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.125	C	C	.	.	S	Bend	trans	-84.4	33.2	-177.3	65.5	-14.4	0	0	0	113.7	V131 C155 R159 W583	V131-D157 HydrophobicContact CB-CB 4.44Å; V131-D157 HydrophobicContact CG1-CB 4.13Å; C155-D157 VanDerWaalsContact C-N 3.35Å; C155-D157 WeakPolarHBondContact CB-OD1 3.32Å; D157-R159 PolarHBondContact O-N 3.36Å; D157-R159 WeakPolarHBondContact OD1-CG 3.49Å; D157-R159 IonicContact OD1-NE 2.78Å; D157-R159 PolarHBondContact OD1-NE 2.93Å; D157-R159 IonicContact OD2-CZ 3.51Å; D157-R159 IonicContact OD2-NE 3.54Å; D157-R159 PolarHBondContact OD2-NE 2.85Å; D157-R159 IonicContact OD2-NH2 2.82Å; D157-R159 PolarHBondContact OD2-NH2 3.18Å; D157-W583 HydrophobicContact CB-CZ2 4.14Å; D157-W583 PolarHBondContact O-NE1 3.36Å; D157-W583 WeakPolarHBondContact OD2-CZ2 3.35Å
158	I	98.3	Very high	95.5	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	14%	0.144	C	C	.	.	S	Bend	trans	64.6	34.4	172.9	-33.6	-61.8	0	0	0	114.2	K156 L363 K367 V370 Y371 Y579 Y580	K156-I158 PolarHBondContact O-N 3.11Å; K156-I158 VanDerWaalsContact O-N 3.16Å; I158-L363 HydrophobicContact CD1-CD1 3.83Å; I158-L363 HydrophobicContact CD1-CD2 4.5Å; I158-L363 HydrophobicContact CD1-CG 4.37Å; I158-K367 HydrophobicContact CG2-CB 4.3Å; I158-K367 HydrophobicContact CG2-CG 4.14Å; I158-V370 HydrophobicContact CG2-CG2 3.55Å; I158-Y371 WeakPolarHBondContact O-CD2 3.37Å; I158-Y579 HydrophobicContact CG1-CE1 4.13Å; I158-Y580 HydrophobicContact CD1-CD1 4.17Å; I158-Y580 HydrophobicContact CG1-CD1 3.99Å; I158-Y580 WeakPolarHBondContact CG2-O 3.43Å
159	R	97.8	Very high	94.8	Very high	15 Å²	15	30.3 Å²	30.3	6%	0.057	16%	0.157	C	C	.	.			trans	-143.6	170.8	170.4	51.8	174.1	173.4	173.5	-3.5	113.6	C155 D157 K367 Y371 W583	C155-R159 HydrophobicContact CB-CG 4.24Å; C155-R159 WeakPolarHBondContact CB-O 3.37Å; C155-R159 PolarHBondContact N-O 3.32Å; D157-R159 PolarHBondContact O-N 3.36Å; D157-R159 WeakPolarHBondContact OD1-CG 3.49Å; D157-R159 IonicContact OD1-NE 2.78Å; D157-R159 PolarHBondContact OD1-NE 2.93Å; D157-R159 IonicContact OD2-CZ 3.51Å; D157-R159 IonicContact OD2-NE 3.54Å; D157-R159 PolarHBondContact OD2-NE 2.85Å; D157-R159 IonicContact OD2-NH2 2.82Å; D157-R159 PolarHBondContact OD2-NH2 3.18Å; R159-K367 WeakPolarHBondContact O-CE 3.35Å; R159-K367 PolarHBondContact O-NZ 2.89Å; R159-Y371 HydrophobicContact CB-CD1 4.45Å; R159-Y371 HydrophobicContact CB-CD2 4.04Å; R159-Y371 HydrophobicContact CB-CE1 4.04Å; R159-Y371 HydrophobicContact CB-CE2 3.58Å; R159-Y371 HydrophobicContact CB-CG 4.46Å; R159-W583 HydrophobicContact CB-CG 4.2Å; R159-W583 VanDerWaalsContact CD-CE2 3.49Å; R159-W583 HydrophobicContact CG-CD2 4.38Å; R159-W583 HydrophobicContact CG-CG 4.4Å; R159-W583 HydrophobicContact CG-CZ2 4.4Å
160	S	98	Very high	94.4	Very high	22 Å²	22	38.1 Å²	38.1	15%	0.154	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	139.1	163.4	-62.9	0	0	0	0	108.3	E152 T153 Y371	E152-S160 WeakPolarHBondContact OE1-CB 3.44Å; T153-S160 CarbonylContact O-C 3.22Å; T153-S160 VanDerWaalsContact O-CA 3.31Å; T153-S160 WeakPolarHBondContact O-CA 3.38Å; S160-Y371 VanDerWaalsContact N-CE1 3.26Å; S160-Y371 PolarHBondContact O-OH 2.73Å
161	L	98.5	Very high	94.3	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.7	-179.4	-50.7	171.4	0	0	0	108.8	Y93 L112 L125 A127 E152 T153 F163	Y93-L161 HydrophobicContact CE2-CB 4.26Å; Y93-L161 HydrophobicContact CE2-CD2 4.18Å; L112-L161 HydrophobicContact CD2-CD1 4.5Å; L125-L161 HydrophobicContact CD1-CD1 4.21Å; L125-L161 HydrophobicContact CD1-CD2 3.88Å; L125-L161 HydrophobicContact CD2-CD1 4.2Å; L125-L161 HydrophobicContact CD2-CD2 3.96Å; A127-L161 HydrophobicContact CB-CD1 4.24Å; E152-L161 CarbonylContact C-O 3.31Å; E152-L161 VanDerWaalsContact CA-O 3.32Å; E152-L161 WeakPolarHBondContact CA-O 3.32Å; T153-L161 PolarHBondContact N-O 3.45Å; T153-L161 PolarHBondContact O-N 3.29Å; T153-L161 WeakPolarHBondContact OG1-CB 3.41Å; L161-F163 HydrophobicContact CB-CE2 3.64Å; L161-F163 HydrophobicContact CB-CZ 4.03Å
162	R	98.3	Very high	94.1	Very high	95 Å²	95	41 Å²	41	36%	0.358	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.2	-176.6	-174.8	171.9	164.1	170.6	-8.4	111.3	Y93 I94 L151	Y93-R162 WeakPolarHBondContact CD2-O 3.45Å; I94-R162 HydrophobicContact CD1-CG 4.08Å; I94-R162 PolarHBondContact N-O 2.93Å; L151-R162 WeakPolarHBondContact O-CA 3.13Å
163	F	98.3	Very high	94	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.009	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	122.9	-175.7	-57.5	-86.1	0	0	0	109.8	V91 T92 Y93 L105 L112 F114 L125 G150 L151 L161	V91-F163 HydrophobicContact CG1-CB 3.86Å; V91-F163 HydrophobicContact CG1-CD1 4.11Å; V91-F163 HydrophobicContact CG1-CG 4.41Å; T92-F163 CarbonylContact O-C 2.97Å; T92-F163 WeakPolarHBondContact O-CA 3.3Å; Y93-F163 AromaticContact CD2-CD1 3.9Å; Y93-F163 HydrophobicContact CD2-CD1 3.9Å; Y93-F163 AromaticContact CD2-CE1 3.55Å; Y93-F163 HydrophobicContact CD2-CE1 3.55Å; Y93-F163 AromaticContact CD2-CZ 3.98Å; Y93-F163 HydrophobicContact CD2-CZ 3.98Å; Y93-F163 HydrophobicContact CE2-CE1 4.46Å; Y93-F163 HydrophobicContact CE2-CZ 4.48Å; Y93-F163 HydrophobicContact CG-CD1 4.41Å; Y93-F163 HydrophobicContact CG-CE1 4.11Å; L105-F163 HydrophobicContact CD1-CD1 3.92Å; L105-F163 HydrophobicContact CD1-CE1 3.56Å; L105-F163 HydrophobicContact CD1-CE2 4.48Å; L105-F163 HydrophobicContact CD1-CZ 3.87Å; L105-F163 HydrophobicContact CD2-CB 4.43Å; L105-F163 HydrophobicContact CD2-CD1 4.16Å; L105-F163 HydrophobicContact CD2-CG 4.12Å; L112-F163 HydrophobicContact CD2-CE2 3.88Å; L112-F163 HydrophobicContact CD2-CZ 4.1Å; F114-F163 HydrophobicContact CB-CE1 4Å; F114-F163 HydrophobicContact CD2-CD1 4.41Å; F114-F163 HydrophobicContact CD2-CE1 4.18Å; F114-F163 HydrophobicContact CG-CE1 4.09Å; L125-F163 HydrophobicContact CD2-CE1 4.03Å; L125-F163 HydrophobicContact CD2-CZ 3.74Å; G150-F163 CarbonylContact C-O 3.33Å; G150-F163 WeakPolarHBondContact CA-O 3.36Å; L151-F163 PolarHBondContact N-O 3.44Å; L151-F163 PolarHBondContact O-N 3.17Å; L161-F163 HydrophobicContact CB-CE2 3.64Å; L161-F163 HydrophobicContact CB-CZ 4.03Å
164	A	97.6	Very high	93.9	Very high	3 Å²	3	49.6 Å²	49.6	3%	0.025	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	141.5	170.7	0	0	0	0	0	111.1	T92 I94 N147 Y149	T92-A164 PolarHBondContact N-O 3.32Å; T92-A164 PolarHBondContact O-N 3.04Å; I94-A164 HydrophobicContact CD1-CB 4.36Å; N147-A164 HydrophobicContact CB-CB 3.69Å; Y149-A164 WeakPolarHBondContact O-CA 3.08Å
165	H	95.3	Very high	93.9	Very high	9 Å²	9	48.5 Å²	48.5	4%	0.042	23%	0.232	C	C	.	.			trans	-122	148.6	179.3	-68.3	-108	0	0	0	109.3	Y149 T171 R172	Y149-H165 HydrophobicContact CD1-CB 4.25Å; Y149-H165 WeakPolarHBondContact CD1-O 3.46Å; Y149-H165 HydrophobicContact CE1-CB 4.44Å; Y149-H165 PolarHBondContact O-N 3.42Å; H165-T171 PolarHBondContact ND1-OG1 2.72Å; H165-R172 HydrophobicContact CB-CB 3.94Å
166	K	88.6	Confident	93.9	Very high	82 Å²	82	50 Å²	50	36%	0.357	24%	0.237	S	C	.	.			trans	-73.7	125	168.1	-71.7	178.9	-174.8	168.6	0	110.4	D90 E168 G169	D90-K166 IonicContact OD1-NZ 3.44Å; K166-E168 VanDerWaalsContact C-N 3.28Å; K166-E168 HydrophobicContact CB-CG 4.25Å; K166-E168 WeakPolarHBondContact CB-OE1 3.49Å; K166-E168 PolarHBondContact O-N 3Å; K166-G169 PolarHBondContact O-N 2.71Å; K166-G169 VanDerWaalsContact O-N 3.1Å
167	P	83.7	Confident	93.8	Very high	69 Å²	69	53.6 Å²	53.6	45%	0.448	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-54.8	-41.9	177	-27.1	35	0	0	0	113.3	Y149 G169 R170	Y149-P167 HydrophobicContact CD1-CG 4.04Å; Y149-P167 HydrophobicContact CD2-CG 4.24Å; Y149-P167 HydrophobicContact CE1-CB 4.48Å; Y149-P167 HydrophobicContact CE1-CG 4.38Å; Y149-P167 HydrophobicContact CG-CG 3.96Å; P167-G169 VanDerWaalsContact C-N 3.29Å; P167-G169 PolarHBondContact O-N 3.16Å; P167-R170 PolarHBondContact O-N 2.75Å
168	E	82.1	Confident	93.9	Very high	138 Å²	138	54.9 Å²	54.9	65%	0.645	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-63.4	-30.4	177.4	59.6	-81.9	-173.7	0	0	113.3	K166 R170	K166-E168 VanDerWaalsContact C-N 3.28Å; K166-E168 HydrophobicContact CB-CG 4.25Å; K166-E168 WeakPolarHBondContact CB-OE1 3.49Å; K166-E168 PolarHBondContact O-N 3Å; E168-R170 VanDerWaalsContact C-N 3.27Å; E168-R170 PolarHBondContact O-N 2.91Å
169	G	74.8	Confident	93.9	Very high	44 Å²	44	54.9 Å²	54.9	45%	0.454	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-73.5	-13.2	177.9	0	0	0	0	0	114.3	K166 P167 T171	K166-G169 PolarHBondContact O-N 2.71Å; K166-G169 VanDerWaalsContact O-N 3.1Å; P167-G169 VanDerWaalsContact C-N 3.29Å; P167-G169 PolarHBondContact O-N 3.16Å; G169-T171 PolarHBondContact O-N 3Å
170	R	85.4	Confident	93.9	Very high	213 Å²	213	56.4 Å²	56.4	80%	0.804	27%	0.27	S	S	*	.			trans	57.3	-1.6	177	-58.8	178.4	-177.3	-175.1	0.7	116.9	P167 E168 R172	P167-R170 PolarHBondContact O-N 2.75Å; E168-R170 VanDerWaalsContact C-N 3.27Å; E168-R170 PolarHBondContact O-N 2.91Å; R170-R172 VanDerWaalsContact C-N 3.35Å; R170-R172 PolarHBondContact O-N 3.07Å
171	T	93.2	Very high	93.9	Very high	37 Å²	37	59.3 Å²	59.3	23%	0.227	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-32	-175.3	54.5	0	0	0	0	114.5	A88 H165 G169 R173 S174 I175	A88-T171 HydrophobicContact CB-CG2 3.77Å; H165-T171 PolarHBondContact ND1-OG1 2.72Å; G169-T171 PolarHBondContact O-N 3Å; T171-R173 PolarHBondContact O-N 3.04Å; T171-R173 VanDerWaalsContact O-N 3.12Å; T171-S174 PolarHBondContact O-N 3.17Å; T171-S174 VanDerWaalsContact O-N 3.15Å; T171-I175 PolarHBondContact O-N 3.46Å
172	R	95.3	Very high	94	Very high	28 Å²	28	61.1 Å²	61.1	11%	0.106	29%	0.287	C	S	.	.	H	α-helix	trans	-52.8	-39.1	-175.8	-169.1	-177.4	70.1	155	-2.5	113.6	I138 G139 Y149 G150 L151 H165 R170 F176	I138-R172 PolarHBondContact O-NH1 2.73Å; G139-R172 PolarHBondContact O-NH1 3.11Å; Y149-R172 HydrophobicContact CE1-CB 3.75Å; Y149-R172 VanDerWaalsContact CE1-CD 3.42Å; Y149-R172 HydrophobicContact CE1-CG 4.15Å; Y149-R172 VanDerWaalsContact CE1-NE 3.28Å; Y149-R172 VanDerWaalsContact CE2-CZ 3.42Å; Y149-R172 VanDerWaalsContact CE2-NH2 3.3Å; Y149-R172 PolarHBondContact OH-NE 3.42Å; Y149-R172 PolarHBondContact OH-NH2 2.98Å; G150-R172 VanDerWaalsContact O-CD 3.29Å; G150-R172 WeakPolarHBondContact O-CD 3.41Å; G150-R172 PolarHBondContact O-NH1 3.02Å; L151-R172 HydrophobicContact CD1-CG 4.38Å; L151-R172 HydrophobicContact CD2-CG 3.68Å; L151-R172 HydrophobicContact CG-CG 3.83Å; H165-R172 HydrophobicContact CB-CB 3.94Å; R170-R172 VanDerWaalsContact C-N 3.35Å; R170-R172 PolarHBondContact O-N 3.07Å; R172-F176 VanDerWaalsContact O-CB 3.24Å; R172-F176 WeakPolarHBondContact O-CB 3.46Å; R172-F176 PolarHBondContact O-N 3.39Å
173	R	95.3	Very high	94	Very high	175 Å²	175	56.7 Å²	56.7	66%	0.66	27%	0.271	S	S	*	.	H	α-helix	trans	-67.4	-49.8	-178.8	-179.6	179.6	-73.4	166.1	-4.2	110.8	T171 F176 E177	T171-R173 PolarHBondContact O-N 3.04Å; T171-R173 VanDerWaalsContact O-N 3.12Å; R173-F176 PolarHBondContact O-N 3.48Å; R173-E177 WeakPolarHBondContact CD-OE1 3.3Å; R173-E177 HydrophobicContact CG-CG 4.5Å; R173-E177 WeakPolarHBondContact CG-OE1 3.46Å; R173-E177 WeakPolarHBondContact O-CB 3.41Å; R173-E177 WeakPolarHBondContact O-CG 3.44Å; R173-E177 PolarHBondContact O-N 2.98Å
174	S	97.1	Very high	94	Very high	48 Å²	48	56.8 Å²	56.8	34%	0.336	27%	0.271	S	S	.	.	H	α-helix	trans	-58.6	-52.1	-179.9	-164.8	0	0	0	0	111.1	D86 T171 F176 E177 N178	D86-S174 PolarHBondContact OD1-OG 3.38Å; D86-S174 WeakPolarHBondContact OD2-CB 3.45Å; D86-S174 PolarHBondContact OD2-OG 3.3Å; T171-S174 PolarHBondContact O-N 3.17Å; T171-S174 VanDerWaalsContact O-N 3.15Å; S174-F176 VanDerWaalsContact C-N 3.33Å; S174-F176 PolarHBondContact O-N 3.23Å; S174-E177 PolarHBondContact O-N 3.15Å; S174-E177 VanDerWaalsContact O-N 3.13Å; S174-N178 PolarHBondContact O-N 2.89Å; S174-N178 PolarHBondContact O-ND2 3.28Å
175	I	98.3	Very high	94.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.6	-40.7	179.8	-65	-70.1	0	0	0	111.3	D86 A88 L105 V107 L151 T171 L179	D86-I175 HydrophobicContact CB-CD1 3.99Å; D86-I175 PolarHBondContact OD2-N 2.86Å; D86-I175 VanDerWaalsContact OD2-N 3.17Å; A88-I175 HydrophobicContact CB-CD1 3.78Å; A88-I175 HydrophobicContact CB-CG1 3.66Å; L105-I175 HydrophobicContact CD2-CG2 3.84Å; V107-I175 HydrophobicContact CG2-CD1 4.03Å; V107-I175 HydrophobicContact CG2-CG2 4.33Å; L151-I175 HydrophobicContact CD1-CB 4.26Å; L151-I175 HydrophobicContact CD1-CG2 3.76Å; T171-I175 PolarHBondContact O-N 3.46Å; I175-L179 HydrophobicContact CG2-CD1 3.84Å; I175-L179 HydrophobicContact CG2-CG 4.24Å; I175-L179 VanDerWaalsContact O-CB 3.25Å; I175-L179 WeakPolarHBondContact O-CB 3.47Å; I175-L179 VanDerWaalsContact O-CG 3.25Å; I175-L179 WeakPolarHBondContact O-CG 3.39Å; I175-L179 PolarHBondContact O-N 3.19Å
176	F	98.4	Very high	94.2	Very high	35 Å²	35	59.7 Å²	59.7	15%	0.154	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-45.4	175.2	176.8	-92.2	0	0	0	112.3	V135 K137 L151 R172 R173 S174 L179 M180	V135-F176 HydrophobicContact CB-CD2 4.5Å; V135-F176 HydrophobicContact CB-CE2 4.28Å; V135-F176 HydrophobicContact CG1-CD2 3.75Å; V135-F176 HydrophobicContact CG1-CE2 3.98Å; K137-F176 HydrophobicContact CD-CD2 4.28Å; K137-F176 HydrophobicContact CD-CE2 4.28Å; K137-F176 HydrophobicContact CD-CG 4.42Å; K137-F176 HydrophobicContact CD-CZ 4.43Å; K137-F176 VanDerWaalsContact CE-CD2 3.47Å; K137-F176 HydrophobicContact CG-CD2 3.77Å; K137-F176 HydrophobicContact CG-CE2 3.85Å; K137-F176 HydrophobicContact CG-CG 4.3Å; K137-F176 HydrophobicContact CG-CZ 4.47Å; K137-F176 VanDerWaalsContact NZ-CD1 3.35Å; K137-F176 VanDerWaalsContact NZ-CE1 3.35Å; L151-F176 HydrophobicContact CD1-CB 4.07Å; L151-F176 HydrophobicContact CD2-CB 4.01Å; L151-F176 HydrophobicContact CD2-CD2 3.86Å; L151-F176 HydrophobicContact CD2-CG 4.38Å; R172-F176 VanDerWaalsContact O-CB 3.24Å; R172-F176 WeakPolarHBondContact O-CB 3.46Å; R172-F176 PolarHBondContact O-N 3.39Å; R173-F176 PolarHBondContact O-N 3.48Å; S174-F176 VanDerWaalsContact C-N 3.33Å; S174-F176 PolarHBondContact O-N 3.23Å; F176-L179 PolarHBondContact O-N 2.8Å; F176-M180 HydrophobicContact CD1-CG 4.07Å; F176-M180 HydrophobicContact CD2-CG 4.32Å; F176-M180 HydrophobicContact CE1-CG 3.64Å; F176-M180 HydrophobicContact CE2-CG 3.92Å; F176-M180 HydrophobicContact CE2-SD 4.3Å; F176-M180 HydrophobicContact CG-CG 4.4Å; F176-M180 HydrophobicContact CZ-CG 3.57Å; F176-M180 HydrophobicContact CZ-SD 4.11Å; F176-M180 VanDerWaalsContact O-CB 3.31Å; F176-M180 WeakPolarHBondContact O-CB 3.36Å; F176-M180 VanDerWaalsContact O-CG 3.24Å; F176-M180 WeakPolarHBondContact O-CG 3.48Å; F176-M180 PolarHBondContact O-N 3.31Å
177	E	98.3	Very high	94.7	Very high	105 Å²	105	57.4 Å²	57.4	49%	0.491	28%	0.283	S	S	.	.	H	α-helix	trans	-67.3	-40.7	-178.4	-74.2	165.8	-165.5	0	0	111.1	R173 S174 K181	R173-E177 WeakPolarHBondContact CD-OE1 3.3Å; R173-E177 HydrophobicContact CG-CG 4.5Å; R173-E177 WeakPolarHBondContact CG-OE1 3.46Å; R173-E177 WeakPolarHBondContact O-CB 3.41Å; R173-E177 WeakPolarHBondContact O-CG 3.44Å; R173-E177 PolarHBondContact O-N 2.98Å; S174-E177 PolarHBondContact O-N 3.15Å; S174-E177 VanDerWaalsContact O-N 3.13Å; E177-K181 VanDerWaalsContact O-CB 3.26Å; E177-K181 WeakPolarHBondContact O-CB 3.37Å; E177-K181 PolarHBondContact O-N 2.96Å
178	N	98.6	Very high	95.4	Very high	29 Å²	29	57.2 Å²	57.2	16%	0.155	28%	0.279	C	S	.	.	H	α-helix	trans	-69.6	-40.8	174.6	-76.6	-60.8	0	0	0	112.9	D86 V107 S174 K181 Y182	D86-N178 HydrophobicContact CB-CB 3.89Å; D86-N178 WeakPolarHBondContact CB-ND2 3.23Å; D86-N178 PolarHBondContact OD2-ND2 3.24Å; V107-N178 HydrophobicContact CG1-CB 4.43Å; S174-N178 PolarHBondContact O-N 2.89Å; S174-N178 PolarHBondContact O-ND2 3.28Å; N178-K181 PolarHBondContact O-N 3.38Å; N178-Y182 HydrophobicContact CB-CD2 4.35Å; N178-Y182 VanDerWaalsContact O-CD2 3.27Å; N178-Y182 WeakPolarHBondContact O-CD2 3.35Å; N178-Y182 PolarHBondContact O-N 3.2Å; N178-Y182 WeakPolarHBondContact OD1-CE2 3.41Å
179	L	98.6	Very high	96.2	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-60.1	-49	171.7	-78.5	174.4	0	0	0	111.6	V107 L112 L129 I132 V135 L151 T153 I175 F176 K181 Y182 A183	V107-L179 HydrophobicContact CG1-CD2 4.24Å; V107-L179 HydrophobicContact CG2-CD2 4.04Å; V107-L179 HydrophobicContact CG2-CG 4.09Å; L112-L179 HydrophobicContact CD1-CD2 3.99Å; L112-L179 HydrophobicContact CD2-CD2 4.26Å; L129-L179 HydrophobicContact CD2-CD2 3.76Å; I132-L179 HydrophobicContact CD1-CD2 4.03Å; V135-L179 HydrophobicContact CG1-CB 4.49Å; V135-L179 HydrophobicContact CG1-CD1 4.21Å; V135-L179 HydrophobicContact CG2-CB 4.21Å; L151-L179 HydrophobicContact CD1-CD1 4.24Å; T153-L179 HydrophobicContact CG2-CD1 4.14Å; I175-L179 HydrophobicContact CG2-CD1 3.84Å; I175-L179 HydrophobicContact CG2-CG 4.24Å; I175-L179 VanDerWaalsContact O-CB 3.25Å; I175-L179 WeakPolarHBondContact O-CB 3.47Å; I175-L179 VanDerWaalsContact O-CG 3.25Å; I175-L179 WeakPolarHBondContact O-CG 3.39Å; I175-L179 PolarHBondContact O-N 3.19Å; F176-L179 PolarHBondContact O-N 2.8Å; L179-K181 PolarHBondContact O-N 3.29Å; L179-Y182 PolarHBondContact O-N 2.91Å; L179-A183 WeakPolarHBondContact O-CB 3.46Å; L179-A183 PolarHBondContact O-N 3.26Å
180	M	98.6	Very high	97.3	Very high	48 Å²	48	58.6 Å²	58.6	24%	0.236	28%	0.28	C	S	.	.	H	α-helix	trans	-62.3	-23.9	177.5	-74.3	-61	-55.8	0	0	113.2	V135 F176 F184 N188 K469	V135-M180 HydrophobicContact CB-SD 3.85Å; V135-M180 HydrophobicContact CG2-SD 4.11Å; F176-M180 HydrophobicContact CD1-CG 4.07Å; F176-M180 HydrophobicContact CD2-CG 4.32Å; F176-M180 HydrophobicContact CE1-CG 3.64Å; F176-M180 HydrophobicContact CE2-CG 3.92Å; F176-M180 HydrophobicContact CE2-SD 4.3Å; F176-M180 HydrophobicContact CG-CG 4.4Å; F176-M180 HydrophobicContact CZ-CG 3.57Å; F176-M180 HydrophobicContact CZ-SD 4.11Å; F176-M180 VanDerWaalsContact O-CB 3.31Å; F176-M180 WeakPolarHBondContact O-CB 3.36Å; F176-M180 VanDerWaalsContact O-CG 3.24Å; F176-M180 WeakPolarHBondContact O-CG 3.48Å; F176-M180 PolarHBondContact O-N 3.31Å; M180-F184 HydrophobicContact CE-CD2 3.92Å; M180-F184 HydrophobicContact CE-CE2 3.98Å; M180-F184 HydrophobicContact SD-CD2 4.09Å; M180-F184 HydrophobicContact SD-CE2 3.7Å; M180-N188 PolarHBondContact O-ND2 2.98Å; M180-K469 HydrophobicContact CE-CB 4.49Å
181	K	98.7	Very high	97.9	Very high	82 Å²	82	51.5 Å²	51.5	36%	0.357	26%	0.261	S	S	.	.	H	α-helix	trans	-82.4	-53.8	176.9	-178	173.8	178.8	-178.2	0	112.4	E177 N178 L179 F184 N188 L190	E177-K181 VanDerWaalsContact O-CB 3.26Å; E177-K181 WeakPolarHBondContact O-CB 3.37Å; E177-K181 PolarHBondContact O-N 2.96Å; N178-K181 PolarHBondContact O-N 3.38Å; L179-K181 PolarHBondContact O-N 3.29Å; K181-F184 CarbonylContact O-C 3.58Å; K181-N188 PolarHBondContact O-ND2 3.27Å; K181-L190 HydrophobicContact CD-CD1 4.32Å; K181-L190 HydrophobicContact CG-CD1 3.59Å
182	Y	98.8	Very high	98.2	Very high	41 Å²	41	50.4 Å²	50.4	16%	0.161	25%	0.254	C	S	.	.	H	α-helix	trans	-93.2	-16	-170.7	-61.8	-73	0	0	0	114.7	K85 N109 N178 L179 P185 L190	K85-Y182 HydrophobicContact CB-CD2 3.85Å; K85-Y182 HydrophobicContact CB-CE2 3.47Å; K85-Y182 VanDerWaalsContact CB-CE2 3.47Å; K85-Y182 HydrophobicContact CD-CE1 4.07Å; K85-Y182 HydrophobicContact CD-CE2 4.09Å; K85-Y182 HydrophobicContact CG-CD1 4.32Å; K85-Y182 HydrophobicContact CG-CD2 3.83Å; K85-Y182 HydrophobicContact CG-CE1 4.05Å; K85-Y182 HydrophobicContact CG-CE2 3.53Å; K85-Y182 HydrophobicContact CG-CG 4.22Å; N109-Y182 HydrophobicContact CB-CD1 4.3Å; N178-Y182 HydrophobicContact CB-CD2 4.35Å; N178-Y182 VanDerWaalsContact O-CD2 3.27Å; N178-Y182 WeakPolarHBondContact O-CD2 3.35Å; N178-Y182 PolarHBondContact O-N 3.2Å; N178-Y182 WeakPolarHBondContact OD1-CE2 3.41Å; L179-Y182 PolarHBondContact O-N 2.91Å; Y182-P185 WeakPolarHBondContact O-CD 3.47Å; Y182-L190 HydrophobicContact CD1-CD1 3.99Å; Y182-L190 HydrophobicContact CE1-CD1 3.9Å
183	A	98.8	Very high	98.4	Very high	2 Å²	2	49.5 Å²	49.5	2%	0.017	25%	0.251	C	S	.	.	S	Bend	trans	-80.6	-21.8	166.2	0	0	0	0	0	113.2	L129 I132 L179 P185	L129-A183 HydrophobicContact CB-CB 4.01Å; L129-A183 HydrophobicContact CD2-CB 4.5Å; I132-A183 HydrophobicContact CB-CB 4.1Å; I132-A183 HydrophobicContact CD1-CB 4.11Å; I132-A183 HydrophobicContact CG2-CB 4.34Å; L179-A183 WeakPolarHBondContact O-CB 3.46Å; L179-A183 PolarHBondContact O-N 3.26Å; A183-P185 WeakPolarHBondContact O-CD 3.37Å
184	F	98.8	Very high	98.6	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.018	22%	0.219	C	C	.	.	S	Bend	trans	-122.6	54	178.7	-48.3	-61.8	0	0	0	112.5	I132 S133 V135 M180 K181 V186 S187 N188 G467 D468 K469	I132-F184 HydrophobicContact CG2-CZ 4.06Å; S133-F184 WeakPolarHBondContact O-CE1 3.4Å; S133-F184 WeakPolarHBondContact O-CZ 3.38Å; V135-F184 HydrophobicContact CG2-CE2 4.16Å; M180-F184 HydrophobicContact CE-CD2 3.92Å; M180-F184 HydrophobicContact CE-CE2 3.98Å; M180-F184 HydrophobicContact SD-CD2 4.09Å; M180-F184 HydrophobicContact SD-CE2 3.7Å; K181-F184 CarbonylContact O-C 3.58Å; F184-V186 VanDerWaalsContact C-N 3.32Å; F184-V186 PolarHBondContact O-N 2.96Å; F184-S187 PolarHBondContact O-N 3.23Å; F184-S187 VanDerWaalsContact O-N 3.12Å; F184-N188 PolarHBondContact O-N 3.02Å; F184-N188 PolarHBondContact O-ND2 2.98Å; F184-G467 CarbonylContact C-O 3.42Å; F184-G467 WeakPolarHBondContact CA-O 3.27Å; F184-D468 WeakPolarHBondContact CD1-O 3.31Å; F184-K469 HydrophobicContact CB-CB 3.93Å; F184-K469 HydrophobicContact CD1-CB 4.07Å; F184-K469 HydrophobicContact CD2-CB 3.84Å; F184-K469 HydrophobicContact CE2-CB 4.42Å; F184-K469 HydrophobicContact CG-CB 3.65Å
185	P	98.8	Very high	98.6	Very high	11 Å²	11	41.5 Å²	41.5	7%	0.071	22%	0.215	C	C	.	.	S	Bend	trans	-58.3	-40.6	-173	22.5	-35.3	0	0	0	113.1	Y182 A183 S187 N188 N189 L190 P191 L192	Y182-P185 WeakPolarHBondContact O-CD 3.47Å; A183-P185 WeakPolarHBondContact O-CD 3.37Å; P185-S187 VanDerWaalsContact C-N 3.34Å; P185-S187 PolarHBondContact O-N 2.99Å; P185-N188 CarbonylContact O-C 3.51Å; P185-N188 VanDerWaalsContact O-C 3.31Å; P185-N188 WeakPolarHBondContact O-CA 3.46Å; P185-N188 PolarHBondContact O-N 3.23Å; P185-N189 PolarHBondContact O-N 3.27Å; P185-L190 CarbonylContact C-O 3.3Å; P185-L190 HydrophobicContact CB-CB 3.65Å; P185-L190 PolarHBondContact O-N 3.1Å; P185-P191 VanDerWaalsContact CB-O 3.25Å; P185-P191 WeakPolarHBondContact CB-O 3.39Å; P185-L192 HydrophobicContact CG-CD2 3.74Å; P185-L192 HydrophobicContact CG-CG 4.44Å
186	V	98.6	Very high	98.7	Very high	62 Å²	62	44.1 Å²	44.1	38%	0.376	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-61.2	-43	177.9	-178.2	0	0	0	0	110.9	F184 N188 N189 L192 H466 G467	F184-V186 VanDerWaalsContact C-N 3.32Å; F184-V186 PolarHBondContact O-N 2.96Å; V186-N188 PolarHBondContact O-N 2.9Å; V186-N189 PolarHBondContact O-N 3.34Å; V186-L192 HydrophobicContact CG2-CD1 4.22Å; V186-L192 HydrophobicContact CG2-CD2 4.16Å; V186-L192 HydrophobicContact CG2-CG 4.03Å; V186-H466 WeakPolarHBondContact CG2-O 3.18Å; V186-G467 WeakPolarHBondContact CB-O 3.47Å; V186-G467 PolarHBondContact N-O 3.05Å; V186-G467 VanDerWaalsContact N-O 3.09Å
187	S	98.6	Very high	98.7	Very high	33 Å²	33	43.2 Å²	43.2	23%	0.231	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-69.3	-6.5	174	-67	0	0	0	0	115.2	F184 P185 G467 D468 K469	F184-S187 PolarHBondContact O-N 3.23Å; F184-S187 VanDerWaalsContact O-N 3.12Å; P185-S187 VanDerWaalsContact C-N 3.34Å; P185-S187 PolarHBondContact O-N 2.99Å; S187-G467 PolarHBondContact N-O 3.04Å; S187-G467 VanDerWaalsContact N-O 3.13Å; S187-D468 WeakPolarHBondContact OG-CA 3.49Å; S187-K469 PolarHBondContact OG-N 2.79Å
188	N	98.6	Very high	98.7	Very high	65 Å²	65	45.6 Å²	45.6	35%	0.348	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-122.1	13	-179.7	-68.4	-80.8	0	0	0	112.7	M180 K181 F184 P185 V186 L190	M180-N188 PolarHBondContact O-ND2 2.98Å; K181-N188 PolarHBondContact O-ND2 3.27Å; F184-N188 PolarHBondContact O-N 3.02Å; F184-N188 PolarHBondContact O-ND2 2.98Å; P185-N188 CarbonylContact O-C 3.51Å; P185-N188 VanDerWaalsContact O-C 3.31Å; P185-N188 WeakPolarHBondContact O-CA 3.46Å; P185-N188 PolarHBondContact O-N 3.23Å; V186-N188 PolarHBondContact O-N 2.9Å; N188-L190 VanDerWaalsContact C-N 3.27Å; N188-L190 HydrophobicContact CB-CD1 4.4Å; N188-L190 HydrophobicContact CB-CG 4.39Å; N188-L190 PolarHBondContact O-N 3.41Å
189	N	98.5	Very high	98.6	Very high	160 Å²	160	47.3 Å²	47.3	86%	0.856	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	36.5	-177	-55.6	-46.8	0	0	0	114.1	P185 V186	P185-N189 PolarHBondContact O-N 3.27Å; V186-N189 PolarHBondContact O-N 3.34Å
190	L	98.7	Very high	98.6	Very high	52 Å²	52	53.4 Å²	53.4	27%	0.272	28%	0.276	S	S	.	.			trans	-107.3	155.4	173.5	-62.3	176.9	0	0	0	110.6	K181 Y182 P185 N188	K181-L190 HydrophobicContact CD-CD1 4.32Å; K181-L190 HydrophobicContact CG-CD1 3.59Å; Y182-L190 HydrophobicContact CD1-CD1 3.99Å; Y182-L190 HydrophobicContact CE1-CD1 3.9Å; P185-L190 CarbonylContact C-O 3.3Å; P185-L190 HydrophobicContact CB-CB 3.65Å; P185-L190 PolarHBondContact O-N 3.1Å; N188-L190 VanDerWaalsContact C-N 3.27Å; N188-L190 HydrophobicContact CB-CD1 4.4Å; N188-L190 HydrophobicContact CB-CG 4.39Å; N188-L190 PolarHBondContact O-N 3.41Å
191	P	98.4	Very high	98.6	Very high	64 Å²	64	52.5 Å²	52.5	42%	0.416	27%	0.27	S	S	.	.			trans	-64.4	149.9	171.4	28.8	-35.5	0	0	0	111.6	P185 F195 E196	P185-P191 VanDerWaalsContact CB-O 3.25Å; P185-P191 WeakPolarHBondContact CB-O 3.39Å; P191-F195 HydrophobicContact CB-CB 4.24Å; P191-E196 HydrophobicContact CG-CG 4.05Å
192	L	98.9	Very high	98.5	Very high	14 Å²	14	54.7 Å²	54.7	7%	0.073	29%	0.293	C	S	.	.			trans	-69.2	147.4	159.6	-71.3	164.1	0	0	0	109.2	P185 V186 A194 F195 H466 C515 L521	P185-L192 HydrophobicContact CG-CD2 3.74Å; P185-L192 HydrophobicContact CG-CG 4.44Å; V186-L192 HydrophobicContact CG2-CD1 4.22Å; V186-L192 HydrophobicContact CG2-CD2 4.16Å; V186-L192 HydrophobicContact CG2-CG 4.03Å; L192-A194 PolarHBondContact O-N 3.03Å; L192-A194 VanDerWaalsContact O-N 3.07Å; L192-F195 HydrophobicContact CB-CD2 4.17Å; L192-F195 HydrophobicContact CB-CE2 4.38Å; L192-F195 WeakPolarHBondContact O-CD2 3.37Å; L192-F195 PolarHBondContact O-N 3.29Å; L192-H466 HydrophobicContact CD1-CB 4.29Å; L192-H466 HydrophobicContact CD2-CB 4.26Å; L192-C515 HydrophobicContact CB-CB 4.49Å; L192-C515 HydrophobicContact CD2-CB 4.01Å; L192-L521 HydrophobicContact CD1-CD1 4.1Å; L192-L521 HydrophobicContact CD1-CD2 3.86Å
193	F	98.9	Very high	98.4	Very high	8 Å²	8	55.9 Å²	55.9	4%	0.035	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-58.1	-28.6	-173.2	-172.4	-109.4	0	0	0	114.1	L79 E82 N109 Y110 F195 E196 Y197 L516	L79-F193 HydrophobicContact CD1-CE1 4.45Å; E82-F193 HydrophobicContact CB-CE2 4.11Å; E82-F193 HydrophobicContact CB-CZ 3.79Å; E82-F193 HydrophobicContact CG-CE2 4.43Å; E82-F193 HydrophobicContact CG-CZ 4.32Å; N109-F193 HydrophobicContact CB-CD2 4.3Å; Y110-F193 HydrophobicContact CD1-CD1 4.44Å; Y110-F193 HydrophobicContact CD1-CE1 4.3Å; Y110-F193 HydrophobicContact CD2-CB 4Å; Y110-F193 AromaticContact CD2-CD1 3.27Å; Y110-F193 HydrophobicContact CD2-CD1 3.27Å; Y110-F193 AromaticContact CD2-CE1 3.93Å; Y110-F193 HydrophobicContact CD2-CE1 3.93Å; Y110-F193 AromaticContact CD2-CG 3.75Å; Y110-F193 HydrophobicContact CD2-CG 3.75Å; Y110-F193 HydrophobicContact CE2-CD1 4.07Å; Y110-F193 AromaticContact CG-CD1 3.51Å; Y110-F193 HydrophobicContact CG-CD1 3.51Å; Y110-F193 AromaticContact CG-CE1 3.71Å; Y110-F193 HydrophobicContact CG-CE1 3.71Å; Y110-F193 AromaticContact CG-CG 3.99Å; Y110-F193 HydrophobicContact CG-CG 3.99Å; Y110-F193 HydrophobicContact CG-CZ 4.36Å; F193-F195 PolarHBondContact O-N 3.14Å; F193-E196 HydrophobicContact CD2-CB 4.02Å; F193-E196 HydrophobicContact CE2-CB 4.13Å; F193-E196 CarbonylContact O-C 3.56Å; F193-E196 WeakPolarHBondContact O-CA 3.22Å; F193-E196 PolarHBondContact O-N 3.45Å; F193-Y197 AromaticContact CE1-CD2 3.97Å; F193-Y197 HydrophobicContact CE1-CD2 3.97Å; F193-Y197 HydrophobicContact CE1-CG 4.15Å; F193-Y197 HydrophobicContact CZ-CD2 4.41Å; F193-Y197 WeakPolarHBondContact O-CB 3.46Å; F193-Y197 PolarHBondContact O-N 2.76Å; F193-L516 HydrophobicContact CD1-CD1 3.59Å; F193-L516 HydrophobicContact CE1-CD1 3.48Å; F193-L516 VanDerWaalsContact CE1-CD1 3.48Å
194	A	98.9	Very high	98.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-52.3	-23.9	172.7	0	0	0	0	0	115.2	L192 C515 L516 L521 T537	L192-A194 PolarHBondContact O-N 3.03Å; L192-A194 VanDerWaalsContact O-N 3.07Å; A194-C515 WeakPolarHBondContact CB-O 3.18Å; A194-C515 PolarHBondContact N-O 2.75Å; A194-L516 VanDerWaalsContact CA-O 3.31Å; A194-L516 WeakPolarHBondContact CA-O 3.22Å; A194-L521 HydrophobicContact CB-CD1 4.05Å; A194-T537 HydrophobicContact CB-CG2 3.97Å; A194-T537 WeakPolarHBondContact O-CA 3.4Å; A194-T537 WeakPolarHBondContact O-CG2 3.34Å
195	F	98.8	Very high	98.3	Very high	55 Å²	55	59.9 Å²	59.9	24%	0.241	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-90.7	-14.3	175.2	-62.3	-76.5	0	0	0	113.8	P191 L192 F193 L521 L533 R536 T537	P191-F195 HydrophobicContact CB-CB 4.24Å; L192-F195 HydrophobicContact CB-CD2 4.17Å; L192-F195 HydrophobicContact CB-CE2 4.38Å; L192-F195 WeakPolarHBondContact O-CD2 3.37Å; L192-F195 PolarHBondContact O-N 3.29Å; F193-F195 PolarHBondContact O-N 3.14Å; F195-L521 HydrophobicContact CE2-CD1 4.2Å; F195-L533 HydrophobicContact CE1-CD2 3.71Å; F195-L533 HydrophobicContact CZ-CD2 3.59Å; F195-R536 HydrophobicContact CD1-CB 4.02Å; F195-R536 HydrophobicContact CE1-CB 4.12Å; F195-T537 HydrophobicContact CD1-CG2 3.55Å; F195-T537 HydrophobicContact CE1-CG2 3.57Å; F195-T537 HydrophobicContact CG-CG2 4.1Å; F195-T537 HydrophobicContact CZ-CG2 4.12Å
196	E	98.7	Very high	98.3	Very high	56 Å²	56	61.1 Å²	61.1	26%	0.262	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-24.9	174.3	-66.5	-167.8	-94.9	0	0	112.5	G81 N109 P191 F193 K198	G81-E196 WeakPolarHBondContact CA-O 3.42Å; N109-E196 PolarHBondContact ND2-OE1 3Å; N109-E196 PolarHBondContact ND2-OE2 3.38Å; P191-E196 HydrophobicContact CG-CG 4.05Å; F193-E196 HydrophobicContact CD2-CB 4.02Å; F193-E196 HydrophobicContact CE2-CB 4.13Å; F193-E196 CarbonylContact O-C 3.56Å; F193-E196 WeakPolarHBondContact O-CA 3.22Å; F193-E196 PolarHBondContact O-N 3.45Å; E196-K198 WeakPolarHBondContact O-CG 3.29Å
197	Y	98.8	Very high	98.3	Very high	16 Å²	16	66.2 Å²	66.2	6%	0.063	34%	0.343	C	S	.	.			trans	-67.1	130.2	-179.7	-177.1	-132.6	0	0	0	112.3	L79 P80 F193 E199 F201 L516 F517 V538	L79-Y197 HydrophobicContact CB-CD2 4.33Å; L79-Y197 HydrophobicContact CB-CE2 4.11Å; L79-Y197 HydrophobicContact CD1-CE2 4.22Å; L79-Y197 HydrophobicContact CD2-CE2 4.46Å; L79-Y197 HydrophobicContact CG-CE2 4.49Å; P80-Y197 WeakPolarHBondContact O-CA 3.46Å; F193-Y197 AromaticContact CE1-CD2 3.97Å; F193-Y197 HydrophobicContact CE1-CD2 3.97Å; F193-Y197 HydrophobicContact CE1-CG 4.15Å; F193-Y197 HydrophobicContact CZ-CD2 4.41Å; F193-Y197 WeakPolarHBondContact O-CB 3.46Å; F193-Y197 PolarHBondContact O-N 2.76Å; Y197-E199 HydrophobicContact CD2-CB 4.23Å; Y197-E199 HydrophobicContact CE1-CB 4.17Å; Y197-E199 HydrophobicContact CE2-CB 3.4Å; Y197-E199 HydrophobicContact CE2-CG 4.45Å; Y197-E199 VanDerWaalsContact CE2-OE2 3.31Å; Y197-E199 WeakPolarHBondContact CE2-OE2 3.34Å; Y197-E199 WeakPolarHBondContact OH-CB 3.25Å; Y197-E199 PolarHBondContact OH-OE2 3.25Å; Y197-F201 HydrophobicContact CE1-CE2 4.44Å; Y197-L516 HydrophobicContact CD1-CD1 3.63Å; Y197-L516 HydrophobicContact CD1-CG 4.01Å; Y197-L516 WeakPolarHBondContact CD1-O 3.45Å; Y197-L516 HydrophobicContact CD2-CD1 3.7Å; Y197-L516 HydrophobicContact CE1-CD1 3.75Å; Y197-L516 HydrophobicContact CE1-CD2 4.36Å; Y197-L516 HydrophobicContact CE1-CG 3.84Å; Y197-L516 HydrophobicContact CE2-CD1 3.82Å; Y197-L516 HydrophobicContact CG-CD1 3.59Å; Y197-L516 HydrophobicContact CG-CG 4.47Å; Y197-F517 HydrophobicContact CE1-CD1 4.32Å; Y197-F517 AromaticContact CE1-CE1 3.85Å; Y197-F517 HydrophobicContact CE1-CE1 3.85Å; Y197-F517 HydrophobicContact CE1-CZ 4.46Å; Y197-V538 HydrophobicContact CD1-CB 4.08Å; Y197-V538 HydrophobicContact CD1-CG2 3.81Å; Y197-V538 HydrophobicContact CE1-CB 4.11Å; Y197-V538 HydrophobicContact CE1-CG1 4.45Å; Y197-V538 HydrophobicContact CE1-CG2 4.01Å
198	K	98	Very high	98.3	Very high	155 Å²	155	65.9 Å²	65.9	67%	0.674	34%	0.338	S	S	*	.			trans	-128.3	13.8	-168.5	-71.5	169.1	-171.6	177.5	0	114.5	P80 E196	P80-K198 HydrophobicContact CB-CB 4.17Å; P80-K198 PolarHBondContact O-N 2.92Å; E196-K198 WeakPolarHBondContact O-CG 3.29Å
199	E	98.1	Very high	98.3	Very high	64 Å²	64	64.5 Å²	64.5	30%	0.299	33%	0.328	S	S	.	.			trans	-69.2	146.2	176.1	-160.7	165.3	173.2	0	0	110.7	P80 Y197 F201 V538	P80-E199 HydrophobicContact CB-CB 4.48Å; P80-E199 HydrophobicContact CG-CB 4.03Å; P80-E199 HydrophobicContact CG-CG 4.26Å; Y197-E199 HydrophobicContact CD2-CB 4.23Å; Y197-E199 HydrophobicContact CE1-CB 4.17Å; Y197-E199 HydrophobicContact CE2-CB 3.4Å; Y197-E199 HydrophobicContact CE2-CG 4.45Å; Y197-E199 VanDerWaalsContact CE2-OE2 3.31Å; Y197-E199 WeakPolarHBondContact CE2-OE2 3.34Å; Y197-E199 WeakPolarHBondContact OH-CB 3.25Å; Y197-E199 PolarHBondContact OH-OE2 3.25Å; E199-F201 HydrophobicContact CB-CE2 4.17Å; E199-F201 HydrophobicContact CB-CZ 4.45Å; E199-F201 HydrophobicContact CG-CE2 4.1Å; E199-F201 HydrophobicContact CG-CZ 3.98Å; E199-V538 WeakPolarHBondContact O-CG2 3.44Å
200	V	97.7	Very high	98.3	Very high	130 Å²	130	60.1 Å²	60.1	79%	0.788	31%	0.305	S	S	*	.			trans	-122.1	128.5	-175.3	-178.6	0	0	0	0	108.4
201	F	98	Very high	98.3	Very high	28 Å²	28	59 Å²	59	12%	0.123	30%	0.301	C	S	.	.			trans	-110.1	149.8	-178.5	-68	-79.3	0	0	0	110.7	Y197 E199 E203 F517 V538 S542 Y543	Y197-F201 HydrophobicContact CE1-CE2 4.44Å; E199-F201 HydrophobicContact CB-CE2 4.17Å; E199-F201 HydrophobicContact CB-CZ 4.45Å; E199-F201 HydrophobicContact CG-CE2 4.1Å; E199-F201 HydrophobicContact CG-CZ 3.98Å; F201-E203 VanDerWaalsContact C-N 3.28Å; F201-E203 PolarHBondContact O-N 3.25Å; F201-F517 HydrophobicContact CE2-CE1 4.41Å; F201-V538 HydrophobicContact CD2-CG1 3.77Å; F201-V538 HydrophobicContact CE2-CG1 3.94Å; F201-S542 WeakPolarHBondContact CB-O 3.47Å; F201-Y543 AromaticContact CE1-CD2 3.78Å; F201-Y543 HydrophobicContact CE1-CD2 3.78Å; F201-Y543 HydrophobicContact CE1-CG 4.42Å; F201-Y543 AromaticContact CZ-CD2 3.9Å; F201-Y543 HydrophobicContact CZ-CD2 3.9Å; F201-Y543 HydrophobicContact CZ-CG 4.38Å
202	P	97.7	Very high	98.3	Very high	128 Å²	128	59.6 Å²	59.6	83%	0.831	30%	0.3	S	S	*	.	S	Bend	trans	-53.8	-40.1	173.5	-28.8	34.7	0	0	0	114.1	S546	P202-S546 WeakPolarHBondContact CD-OG 3.31Å
203	E	95.9	Very high	98.3	Very high	67 Å²	67	63.4 Å²	63.4	31%	0.313	32%	0.32	S	S	.	.	S	Bend	trans	-97	142.9	175.9	-68.5	-150.6	-151.5	0	0	112.7	F201 R443 S542 N545	F201-E203 VanDerWaalsContact C-N 3.28Å; F201-E203 PolarHBondContact O-N 3.25Å; E203-R443 IonicContact OE1-NH1 2.79Å; E203-R443 IonicContact OE2-CZ 3.73Å; E203-R443 IonicContact OE2-NH1 3.26Å; E203-R443 PolarHBondContact OE2-NH1 3.16Å; E203-R443 IonicContact OE2-NH2 3.4Å; E203-R443 PolarHBondContact OE2-NH2 3.43Å; E203-S542 WeakPolarHBondContact O-CA 3.4Å; E203-S542 WeakPolarHBondContact O-CB 3.42Å; E203-S542 PolarHBondContact O-OG 3.03Å; E203-N545 HydrophobicContact CB-CB 4.5Å
204	N	98.2	Very high	98.3	Very high	85 Å²	85	63.3 Å²	63.3	46%	0.455	32%	0.32	S	S	.	.			trans	-101.4	98.4	171.2	-174.7	-8.6	0	0	0	110.4	W206 K207	N204-W206 PolarHBondContact O-N 2.9Å; N204-W206 WeakPolarHBondContact OD1-CB 3.47Å; N204-W206 PolarHBondContact OD1-N 3.1Å; N204-W206 VanDerWaalsContact OD1-N 3.07Å; N204-K207 HydrophobicContact CB-CG 4.41Å; N204-K207 WeakPolarHBondContact O-CB 3.31Å; N204-K207 PolarHBondContact O-N 3.49Å
205	G	98.6	Very high	98.3	Very high	4 Å²	4	63.4 Å²	63.4	4%	0.041	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-57.3	-20.9	179	0	0	0	0	0	115.1	K207 L208 S542	G205-K207 PolarHBondContact O-N 2.82Å; G205-L208 VanDerWaalsContact O-CB 3.29Å; G205-L208 WeakPolarHBondContact O-CB 3.26Å; G205-L208 PolarHBondContact O-N 3.17Å; G205-S542 PolarHBondContact N-OG 3.35Å
206	W	98.7	Very high	98.3	Very high	37 Å²	37	69 Å²	69	14%	0.14	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-73.5	-3.5	172.7	-61.1	116.4	0	0	0	114.2	N204 L533 P534 T537	N204-W206 PolarHBondContact O-N 2.9Å; N204-W206 WeakPolarHBondContact OD1-CB 3.47Å; N204-W206 PolarHBondContact OD1-N 3.1Å; N204-W206 VanDerWaalsContact OD1-N 3.07Å; W206-L533 HydrophobicContact CH2-CB 4.06Å; W206-L533 HydrophobicContact CZ2-CB 4.09Å; W206-P534 HydrophobicContact CB-CB 3.96Å; W206-P534 HydrophobicContact CD2-CB 4.07Å; W206-P534 HydrophobicContact CD2-CG 4.04Å; W206-P534 HydrophobicContact CE3-CG 4.04Å; W206-P534 HydrophobicContact CG-CB 3.83Å; W206-P534 HydrophobicContact CG-CG 4.29Å; W206-T537 WeakPolarHBondContact CZ2-OG1 3.48Å; W206-T537 PolarHBondContact NE1-O 3.03Å
207	K	98.5	Very high	98.3	Very high	169 Å²	169	70.5 Å²	70.5	74%	0.735	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-107.4	1.5	174	-63	-55.9	-172.2	-177.8	0	113.6	N204 G205	N204-K207 HydrophobicContact CB-CG 4.41Å; N204-K207 WeakPolarHBondContact O-CB 3.31Å; N204-K207 PolarHBondContact O-N 3.49Å; G205-K207 PolarHBondContact O-N 2.82Å
208	L	98.1	Very high	98.3	Very high	27 Å²	27	70.7 Å²	70.7	14%	0.141	35%	0.345	C	S	.	.	S	Bend	trans	-67.1	-49.1	179.6	-178.8	80.6	0	0	0	112.3	G205 R443 E446 V447 W541	G205-L208 VanDerWaalsContact O-CB 3.29Å; G205-L208 WeakPolarHBondContact O-CB 3.26Å; G205-L208 PolarHBondContact O-N 3.17Å; L208-R443 HydrophobicContact CD1-CB 4.1Å; L208-R443 HydrophobicContact CD1-CG 4.3Å; L208-R443 VanDerWaalsContact CD1-NE 3.31Å; L208-E446 HydrophobicContact CD2-CB 3.28Å; L208-E446 HydrophobicContact CD2-CG 4.28Å; L208-E446 VanDerWaalsContact CD2-OE2 3.31Å; L208-E446 WeakPolarHBondContact CD2-OE2 3.32Å; L208-V447 HydrophobicContact CD2-CG2 4.17Å; L208-V447 HydrophobicContact CG-CG2 4Å; L208-W541 HydrophobicContact CD2-CB 4.24Å; L208-W541 HydrophobicContact CD2-CG 4.06Å
209	Y	98.7	Very high	98.3	Very high	35 Å²	35	65.5 Å²	65.5	14%	0.137	34%	0.335	C	S	.	.			trans	-96.8	118.8	-177.8	176.3	-126.9	0	0	0	111.3	P211 E214 V447 E450 K451	Y209-P211 HydrophobicContact CE1-CG 3.82Å; Y209-P211 HydrophobicContact CE2-CG 4.44Å; Y209-E214 HydrophobicContact CE2-CB 4.07Å; Y209-E214 HydrophobicContact CE2-CG 4.42Å; Y209-V447 HydrophobicContact CD2-CG1 3.9Å; Y209-V447 HydrophobicContact CE2-CG1 4.38Å; Y209-E450 HydrophobicContact CD1-CB 3.66Å; Y209-E450 HydrophobicContact CG-CB 3.7Å; Y209-K451 HydrophobicContact CE2-CB 4Å; Y209-K451 HydrophobicContact CE2-CG 4.32Å
210	D	98.6	Very high	98.3	Very high	68 Å²	68	62.7 Å²	62.7	36%	0.364	32%	0.322	S	S	.	.			trans	-119.9	116.8	165.3	-178	-42.9	0	0	0	107.9	L212 L213 E214	D210-L212 VanDerWaalsContact C-N 3.26Å; D210-L212 PolarHBondContact O-N 3.16Å; D210-L212 WeakPolarHBondContact OD1-CA 3.37Å; D210-L212 WeakPolarHBondContact OD1-CB 3.36Å; D210-L212 PolarHBondContact OD1-N 3.36Å; D210-L213 HydrophobicContact CB-CB 4.03Å; D210-L213 HydrophobicContact CB-CD1 3.93Å; D210-L213 HydrophobicContact CB-CG 3.91Å; D210-L213 PolarHBondContact O-N 2.82Å; D210-L213 PolarHBondContact OD1-N 2.81Å; D210-E214 PolarHBondContact O-N 2.72Å
211	P	98.4	Very high	98.4	Very high	30 Å²	30	60.5 Å²	60.5	20%	0.195	31%	0.31	C	S	.	.	H	α-helix	trans	-57	-36.5	-179.5	-24.2	31.3	0	0	0	113.7	Y209 Y215 L243	Y209-P211 HydrophobicContact CE1-CG 3.82Å; Y209-P211 HydrophobicContact CE2-CG 4.44Å; P211-Y215 WeakPolarHBondContact O-CB 3.25Å; P211-Y215 WeakPolarHBondContact O-CD2 3.4Å; P211-Y215 PolarHBondContact O-N 3.35Å; P211-L243 HydrophobicContact CB-CD1 4.36Å
212	L	98.6	Very high	98.4	Very high	76 Å²	76	61.7 Å²	61.7	40%	0.398	32%	0.318	S	S	.	.	H	α-helix	trans	-71.8	-36.1	-179.3	-65.3	176.1	0	0	0	111.8	D210 R216 I227 L243	D210-L212 VanDerWaalsContact C-N 3.26Å; D210-L212 PolarHBondContact O-N 3.16Å; D210-L212 WeakPolarHBondContact OD1-CA 3.37Å; D210-L212 WeakPolarHBondContact OD1-CB 3.36Å; D210-L212 PolarHBondContact OD1-N 3.36Å; L212-R216 VanDerWaalsContact O-CB 3.26Å; L212-R216 WeakPolarHBondContact O-CB 3.26Å; L212-R216 PolarHBondContact O-N 3.47Å; L212-I227 HydrophobicContact CD2-CD1 3.72Å; L212-L243 HydrophobicContact CD1-CD1 4.42Å; L212-L243 HydrophobicContact CD2-CD1 3.62Å; L212-L243 HydrophobicContact CG-CD1 3.78Å
213	L	98.6	Very high	98.4	Very high	93 Å²	93	64.7 Å²	64.7	49%	0.487	32%	0.321	S	S	.	.	H	α-helix	trans	-72.1	-38.9	176.2	-62.9	-177.3	0	0	0	111.8	D210 R216 R217	D210-L213 HydrophobicContact CB-CB 4.03Å; D210-L213 HydrophobicContact CB-CD1 3.93Å; D210-L213 HydrophobicContact CB-CG 3.91Å; D210-L213 PolarHBondContact O-N 2.82Å; D210-L213 PolarHBondContact OD1-N 2.81Å; L213-R216 PolarHBondContact O-N 3.49Å; L213-R217 PolarHBondContact O-N 3.48Å
214	E	98.8	Very high	98.5	Very high	7 Å²	7	63.4 Å²	63.4	3%	0.033	32%	0.319	C	S	.	.	H	α-helix	trans	-66.4	-44	175.2	175.9	46.2	-142.6	0	0	111.7	Y209 D210 R216 R217 Q218 Y438 Y439 V447 K451	Y209-E214 HydrophobicContact CE2-CB 4.07Å; Y209-E214 HydrophobicContact CE2-CG 4.42Å; D210-E214 PolarHBondContact O-N 2.72Å; E214-R216 VanDerWaalsContact C-N 3.32Å; E214-R216 PolarHBondContact O-N 3.13Å; E214-R217 WeakPolarHBondContact O-CB 3.5Å; E214-R217 PolarHBondContact O-N 2.79Å; E214-R217 IonicContact OE1-CZ 3.46Å; E214-R217 IonicContact OE1-NE 3.56Å; E214-R217 PolarHBondContact OE1-NE 2.94Å; E214-R217 IonicContact OE1-NH2 3.21Å; E214-R217 PolarHBondContact OE1-NH2 3.14Å; E214-R217 IonicContact OE2-CZ 2.75Å; E214-R217 IonicContact OE2-NE 2.72Å; E214-R217 PolarHBondContact OE2-NE 2.88Å; E214-R217 IonicContact OE2-NH2 3.31Å; E214-Q218 PolarHBondContact O-N 2.85Å; E214-Q218 PolarHBondContact OE1-NE2 2.91Å; E214-Y438 VanDerWaalsContact OE2-CE1 3.25Å; E214-Y438 WeakPolarHBondContact OE2-CE1 3.46Å; E214-Y439 PolarHBondContact OE1-OH 3.28Å; E214-V447 HydrophobicContact CG-CG1 4.27Å; E214-K451 HydrophobicContact CG-CD 3.99Å
215	Y	98.7	Very high	98.6	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.008	30%	0.298	C	S	.	.	H	α-helix	trans	-61.8	-40.3	172.6	-74.2	-50.5	0	0	0	111.8	P211 R217 Q218 G219 I220 V245 L270	P211-Y215 WeakPolarHBondContact O-CB 3.25Å; P211-Y215 WeakPolarHBondContact O-CD2 3.4Å; P211-Y215 PolarHBondContact O-N 3.35Å; Y215-R217 VanDerWaalsContact C-N 3.34Å; Y215-R217 PolarHBondContact O-N 3.27Å; Y215-Q218 CarbonylContact O-C 3.5Å; Y215-Q218 PolarHBondContact O-N 3.43Å; Y215-Q218 VanDerWaalsContact O-N 3.1Å; Y215-G219 PolarHBondContact O-N 2.85Å; Y215-I220 CarbonylContact C-O 3.6Å; Y215-I220 HydrophobicContact CD1-CG2 4.26Å; Y215-I220 HydrophobicContact CG-CG2 4.31Å; Y215-I220 WeakPolarHBondContact O-CB 3.45Å; Y215-I220 PolarHBondContact O-N 3.15Å; Y215-V245 HydrophobicContact CD1-CG2 3.76Å; Y215-V245 HydrophobicContact CD2-CG2 3.81Å; Y215-V245 HydrophobicContact CE1-CB 4.11Å; Y215-V245 HydrophobicContact CE1-CG2 3.61Å; Y215-V245 HydrophobicContact CE2-CG2 3.68Å; Y215-V245 HydrophobicContact CG-CG2 3.87Å; Y215-L270 PolarHBondContact OH-O 3.13Å
216	R	98.7	Very high	98.6	Very high	172 Å²	172	61.9 Å²	61.9	65%	0.649	31%	0.306	S	S	*	.	H	α-helix	trans	-62	-38	174.9	-174.6	-178.8	-61.9	153.7	4.6	112.8	L212 L213 E214 Q218 G219 I220	L212-R216 VanDerWaalsContact O-CB 3.26Å; L212-R216 WeakPolarHBondContact O-CB 3.26Å; L212-R216 PolarHBondContact O-N 3.47Å; L213-R216 PolarHBondContact O-N 3.49Å; E214-R216 VanDerWaalsContact C-N 3.32Å; E214-R216 PolarHBondContact O-N 3.13Å; R216-Q218 PolarHBondContact O-N 2.91Å; R216-G219 PolarHBondContact O-N 2.92Å; R216-I220 WeakPolarHBondContact CA-O 3.37Å; R216-I220 PolarHBondContact N-O 3.39Å
217	R	98.6	Very high	98.6	Very high	88 Å²	88	62.3 Å²	62.3	33%	0.332	31%	0.31	S	S	.	.	H	α-helix	trans	-58.7	-35.4	174.5	-171.7	-164.9	65.9	82.6	-1.1	111.6	L213 E214 Y215 G219 D436 Y438 Y439	L213-R217 PolarHBondContact O-N 3.48Å; E214-R217 WeakPolarHBondContact O-CB 3.5Å; E214-R217 PolarHBondContact O-N 2.79Å; E214-R217 IonicContact OE1-CZ 3.46Å; E214-R217 IonicContact OE1-NE 3.56Å; E214-R217 PolarHBondContact OE1-NE 2.94Å; E214-R217 IonicContact OE1-NH2 3.21Å; E214-R217 PolarHBondContact OE1-NH2 3.14Å; E214-R217 IonicContact OE2-CZ 2.75Å; E214-R217 IonicContact OE2-NE 2.72Å; E214-R217 PolarHBondContact OE2-NE 2.88Å; E214-R217 IonicContact OE2-NH2 3.31Å; Y215-R217 VanDerWaalsContact C-N 3.34Å; Y215-R217 PolarHBondContact O-N 3.27Å; R217-G219 VanDerWaalsContact C-N 3.3Å; R217-D436 IonicContact CZ-OD2 3.38Å; R217-D436 VanDerWaalsContact CZ-OD2 3.26Å; R217-D436 IonicContact NH1-OD1 3.56Å; R217-D436 PolarHBondContact NH1-OD1 2.81Å; R217-D436 IonicContact NH1-OD2 2.74Å; R217-D436 PolarHBondContact NH1-OD2 3.24Å; R217-D436 IonicContact NH2-OD2 2.75Å; R217-D436 PolarHBondContact NH2-OD2 3.29Å; R217-Y438 VanDerWaalsContact NH1-CB 3.35Å; R217-Y439 PolarHBondContact NH2-OH 3.22Å
218	Q	98.6	Very high	98.6	Very high	20 Å²	20	54.3 Å²	54.3	9%	0.093	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	5	175.1	-57.7	-177.5	23.4	0	0	114.1	E214 Y215 R216 I220 I273 Y439	E214-Q218 PolarHBondContact O-N 2.85Å; E214-Q218 PolarHBondContact OE1-NE2 2.91Å; Y215-Q218 CarbonylContact O-C 3.5Å; Y215-Q218 PolarHBondContact O-N 3.43Å; Y215-Q218 VanDerWaalsContact O-N 3.1Å; R216-Q218 PolarHBondContact O-N 2.91Å; Q218-I220 HydrophobicContact CB-CG1 4.36Å; Q218-I273 HydrophobicContact CB-CG2 3.86Å; Q218-I273 WeakPolarHBondContact O-CG2 3.3Å; Q218-Y439 PolarHBondContact NE2-OH 3.37Å
219	G	98.6	Very high	98.6	Very high	45 Å²	45	59.1 Å²	59.1	46%	0.464	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	23.9	-178.2	0	0	0	0	0	114.9	Y215 R216 R217	Y215-G219 PolarHBondContact O-N 2.85Å; R216-G219 PolarHBondContact O-N 2.92Å; R217-G219 VanDerWaalsContact C-N 3.3Å
220	I	98.7	Very high	98.6	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.026	30%	0.296	C	S	.	.			trans	-109.9	140.1	-177.5	-59.6	-55.6	0	0	0	110.8	Y215 R216 Q218 W225 I227 V245 L270 I273	Y215-I220 CarbonylContact C-O 3.6Å; Y215-I220 HydrophobicContact CD1-CG2 4.26Å; Y215-I220 HydrophobicContact CG-CG2 4.31Å; Y215-I220 WeakPolarHBondContact O-CB 3.45Å; Y215-I220 PolarHBondContact O-N 3.15Å; R216-I220 WeakPolarHBondContact CA-O 3.37Å; R216-I220 PolarHBondContact N-O 3.39Å; Q218-I220 HydrophobicContact CB-CG1 4.36Å; I220-W225 HydrophobicContact CD1-CB 3.89Å; I220-W225 HydrophobicContact CD1-CG 4.32Å; I220-I227 HydrophobicContact CG2-CG1 4.41Å; I220-V245 HydrophobicContact CG2-CB 4.42Å; I220-V245 HydrophobicContact CG2-CG1 3.76Å; I220-V245 HydrophobicContact CG2-CG2 3.73Å; I220-L270 HydrophobicContact CD1-CD2 4.04Å; I220-L270 HydrophobicContact CG1-CD2 3.85Å; I220-I273 HydrophobicContact CD1-CD1 4.2Å; I220-I273 HydrophobicContact CD1-CG2 3.99Å; I220-I273 HydrophobicContact CG1-CG2 3.94Å
221	P	98.6	Very high	98.6	Very high	85 Å²	85	55.7 Å²	55.7	55%	0.552	28%	0.279	S	S	*	.	S	Bend	cis	-75	156.8	-0.6	33.5	-35.5	0	0	0	112.9	W225 I227	P221-W225 VanDerWaalsContact CA-O 3.28Å; P221-W225 WeakPolarHBondContact CA-O 3.46Å; P221-W225 VanDerWaalsContact CB-O 3.29Å; P221-W225 WeakPolarHBondContact CB-O 3.28Å; P221-I227 HydrophobicContact CB-CG1 4.43Å; P221-I227 HydrophobicContact CG-CD1 4.4Å
222	N	98.4	Very high	98.6	Very high	52 Å²	52	58.7 Å²	58.7	28%	0.278	29%	0.291	S	S	.	.			trans	-139.2	-169.9	174.9	67.7	17.7	0	0	0	110.6	S224 W225 Q278	N222-S224 VanDerWaalsContact C-N 3.27Å; N222-S224 PolarHBondContact O-N 2.83Å; N222-S224 PolarHBondContact OD1-N 2.82Å; N222-W225 PolarHBondContact N-O 3.13Å; N222-W225 PolarHBondContact O-N 3.35Å; N222-W225 VanDerWaalsContact O-O 3.14Å; N222-W225 PolarHBondContact OD1-N 2.98Å; N222-Q278 PolarHBondContact ND2-OE1 2.8Å
223	E	98	Very high	98.6	Very high	192 Å²	192	64.2 Å²	64.2	90%	0.897	31%	0.306	S	S	*	.	S	Bend	trans	-62.6	-31.4	-178	-60.6	-174.9	170.7	0	0	113.3	A248	E223-A248 VanDerWaalsContact O-CB 3.26Å; E223-A248 WeakPolarHBondContact O-CB 3.14Å
224	S	98.4	Very high	98.6	Very high	40 Å²	40	62 Å²	62	28%	0.28	29%	0.292	S	S	.	.	S	Bend	trans	-90.5	-25.5	-179.7	-57.8	0	0	0	0	113.6	N222 P247 A248	N222-S224 VanDerWaalsContact C-N 3.27Å; N222-S224 PolarHBondContact O-N 2.83Å; N222-S224 PolarHBondContact OD1-N 2.82Å; S224-P247 CarbonylContact O-C 3.56Å; S224-P247 WeakPolarHBondContact O-CA 3.32Å; S224-A248 WeakPolarHBondContact O-CB 3.15Å; S224-A248 PolarHBondContact O-N 3.07Å
225	W	98.9	Very high	98.6	Very high	1 Å²	1	68.9 Å²	68.9	0%	0.004	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	123.7	-170	-67.1	95.1	0	0	0	113	I220 P221 N222 V245 V246 P247 L270 T280 T282 I306	I220-W225 HydrophobicContact CD1-CB 3.89Å; I220-W225 HydrophobicContact CD1-CG 4.32Å; P221-W225 VanDerWaalsContact CA-O 3.28Å; P221-W225 WeakPolarHBondContact CA-O 3.46Å; P221-W225 VanDerWaalsContact CB-O 3.29Å; P221-W225 WeakPolarHBondContact CB-O 3.28Å; N222-W225 PolarHBondContact N-O 3.13Å; N222-W225 PolarHBondContact O-N 3.35Å; N222-W225 VanDerWaalsContact O-O 3.14Å; N222-W225 PolarHBondContact OD1-N 2.98Å; W225-V245 HydrophobicContact CB-CG1 4.02Å; W225-V245 HydrophobicContact CD2-CG1 4.48Å; W225-V245 HydrophobicContact CE3-CG1 3.91Å; W225-V246 VanDerWaalsContact CE3-C 3.41Å; W225-P247 HydrophobicContact CE3-CG 4.49Å; W225-P247 HydrophobicContact CH2-CG 4.22Å; W225-P247 HydrophobicContact CZ3-CG 3.99Å; W225-L270 HydrophobicContact CD2-CD1 4.47Å; W225-L270 HydrophobicContact CD2-CD2 4.36Å; W225-L270 HydrophobicContact CE3-CB 4.16Å; W225-L270 HydrophobicContact CE3-CD1 4.47Å; W225-L270 HydrophobicContact CE3-CD2 4.47Å; W225-L270 HydrophobicContact CG-CD2 4.49Å; W225-L270 HydrophobicContact CH2-CD1 4.22Å; W225-L270 HydrophobicContact CZ2-CD1 4.24Å; W225-L270 HydrophobicContact CZ3-CB 4.12Å; W225-L270 HydrophobicContact CZ3-CD1 4.34Å; W225-T280 HydrophobicContact CH2-CG2 4.42Å; W225-T280 HydrophobicContact CZ2-CG2 3.47Å; W225-T280 VanDerWaalsContact CZ2-CG2 3.47Å; W225-T282 HydrophobicContact CH2-CG2 3.72Å; W225-T282 HydrophobicContact CZ3-CG2 4.36Å; W225-I306 HydrophobicContact CH2-CB 4.38Å; W225-I306 HydrophobicContact CH2-CG1 3.97Å; W225-I306 HydrophobicContact CH2-CG2 4Å; W225-I306 HydrophobicContact CZ2-CG2 4.2Å
226	R	98.8	Very high	98.6	Very high	55 Å²	55	69.9 Å²	69.9	21%	0.208	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	150.6	177.5	73.2	-178.6	-177.4	88.3	7.6	112.1	V245 V246 A248 I250 D252	R226-V245 WeakPolarHBondContact O-CA 3.45Å; R226-V246 HydrophobicContact CG-CG2 3.72Å; R226-V246 PolarHBondContact N-O 2.89Å; R226-V246 PolarHBondContact O-N 3.19Å; R226-A248 HydrophobicContact CB-CB 4.39Å; R226-I250 VanDerWaalsContact CZ-O 3.22Å; R226-I250 PolarHBondContact NE-O 2.95Å; R226-I250 PolarHBondContact NH2-O 3.18Å; R226-D252 IonicContact CZ-OD1 3.47Å; R226-D252 VanDerWaalsContact CZ-OD1 3.29Å; R226-D252 IonicContact NH1-OD1 3.5Å; R226-D252 PolarHBondContact NH1-OD1 3.3Å; R226-D252 IonicContact NH1-OD2 3.82Å; R226-D252 IonicContact NH2-OD1 2.74Å; R226-D252 PolarHBondContact NH2-OD1 2.82Å
227	I	98.9	Very high	98.6	Very high	46 Å²	46	61.9 Å²	61.9	24%	0.236	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	127.1	164.8	-59.8	169	0	0	0	108	L212 I220 P221 L243 L244 V245	L212-I227 HydrophobicContact CD2-CD1 3.72Å; I220-I227 HydrophobicContact CG2-CG1 4.41Å; P221-I227 HydrophobicContact CB-CG1 4.43Å; P221-I227 HydrophobicContact CG-CD1 4.4Å; I227-L243 HydrophobicContact CG2-CB 4.4Å; I227-L243 HydrophobicContact CG2-CD2 4.35Å; I227-L244 CarbonylContact C-O 3.59Å; I227-L244 WeakPolarHBondContact CA-O 3.37Å; I227-V245 HydrophobicContact CG1-CG2 3.73Å
228	T	98.8	Very high	98.6	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.006	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	148.1	169.5	-179.4	0	0	0	0	111.4	I230 L244 V246 D252 L255	T228-I230 HydrophobicContact CG2-CG2 3.77Å; T228-I230 WeakPolarHBondContact OG1-CB 3.48Å; T228-I230 WeakPolarHBondContact OG1-CG2 3.46Å; T228-I230 PolarHBondContact OG1-N 2.79Å; T228-I230 VanDerWaalsContact OG1-N 3.07Å; T228-L244 HydrophobicContact CG2-CB 3.8Å; T228-L244 WeakPolarHBondContact CG2-O 3.35Å; T228-L244 PolarHBondContact N-O 3.07Å; T228-L244 PolarHBondContact O-N 3.49Å; T228-V246 HydrophobicContact CG2-CG1 4.01Å; T228-V246 HydrophobicContact CG2-CG2 4.14Å; T228-D252 WeakPolarHBondContact CB-OD1 3.47Å; T228-D252 VanDerWaalsContact OG1-CG 3.26Å; T228-D252 PolarHBondContact OG1-OD1 2.97Å; T228-D252 PolarHBondContact OG1-OD2 2.83Å; T228-L255 HydrophobicContact CG2-CD1 3.87Å
229	K	98.7	Very high	98.6	Very high	129 Å²	129	61.4 Å²	61.4	56%	0.561	31%	0.305	S	S	*	.			trans	-103.3	7.6	171.9	-70.3	-173.2	165.4	-133.8	0	113.1	N231 E232 L243	K229-N231 PolarHBondContact O-N 3.39Å; K229-E232 HydrophobicContact CB-CB 4.28Å; K229-E232 WeakPolarHBondContact CE-OE1 3.29Å; K229-E232 IonicContact NZ-OE1 3.85Å; K229-E232 PolarHBondContact NZ-OE1 2.86Å; K229-E232 VanDerWaalsContact O-CB 3.23Å; K229-E232 WeakPolarHBondContact O-CB 3.33Å; K229-E232 PolarHBondContact O-N 2.99Å; K229-L243 HydrophobicContact CG-CD2 4.08Å
230	I	98.8	Very high	98.6	Very high	30 Å²	30	59.3 Å²	59.3	15%	0.154	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-27.2	179.5	-162	-179.3	0	0	0	113.1	T228 L236 D252 L255 K256	T228-I230 HydrophobicContact CG2-CG2 3.77Å; T228-I230 WeakPolarHBondContact OG1-CB 3.48Å; T228-I230 WeakPolarHBondContact OG1-CG2 3.46Å; T228-I230 PolarHBondContact OG1-N 2.79Å; T228-I230 VanDerWaalsContact OG1-N 3.07Å; I230-L236 HydrophobicContact CD1-CD2 4.33Å; I230-L236 HydrophobicContact CG2-CB 4.41Å; I230-L236 HydrophobicContact CG2-CD2 3.64Å; I230-D252 HydrophobicContact CB-CB 4.37Å; I230-D252 HydrophobicContact CD1-CB 3.79Å; I230-D252 WeakPolarHBondContact CD1-O 3.44Å; I230-D252 HydrophobicContact CG1-CB 4.25Å; I230-L255 HydrophobicContact CD1-CB 4.06Å; I230-L255 HydrophobicContact CD1-CD1 4.39Å; I230-L255 HydrophobicContact CG2-CD1 3.97Å; I230-K256 HydrophobicContact CD1-CG 3.81Å
231	N	98.8	Very high	98.6	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	11.9	178.4	-150.4	47.9	0	0	0	114.1	K229 R233 Y234 E235 L236 C237 P241 A242 L244	K229-N231 PolarHBondContact O-N 3.39Å; N231-R233 PolarHBondContact O-N 3.36Å; N231-Y234 WeakPolarHBondContact O-CA 3.49Å; N231-Y234 PolarHBondContact O-N 2.91Å; N231-Y234 VanDerWaalsContact OD1-CA 3.3Å; N231-Y234 WeakPolarHBondContact OD1-CA 3.48Å; N231-E235 PolarHBondContact OD1-N 2.79Å; N231-L236 HydrophobicContact CB-CB 4.36Å; N231-L236 WeakPolarHBondContact OD1-CB 3.4Å; N231-L236 PolarHBondContact OD1-N 3.41Å; N231-L236 VanDerWaalsContact OD1-N 3.11Å; N231-C237 PolarHBondContact ND2-O 3.16Å; N231-C237 PolarHBondContact OD1-N 3.06Å; N231-C237 PolarHBondContact OD1-O 3.48Å; N231-P241 PolarHBondContact ND2-O 3.05Å; N231-A242 CarbonylContact C-O 3.58Å; N231-A242 WeakPolarHBondContact O-CA 3.38Å; N231-L244 HydrophobicContact CB-CD1 3.72Å; N231-L244 HydrophobicContact CB-CG 4.14Å
232	E	98.5	Very high	98.6	Very high	94 Å²	94	56.1 Å²	56.1	44%	0.439	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-25.4	-177	-172.2	175.6	-116.5	0	0	112.3	K229 A242	K229-E232 HydrophobicContact CB-CB 4.28Å; K229-E232 WeakPolarHBondContact CE-OE1 3.29Å; K229-E232 IonicContact NZ-OE1 3.85Å; K229-E232 PolarHBondContact NZ-OE1 2.86Å; K229-E232 VanDerWaalsContact O-CB 3.23Å; K229-E232 WeakPolarHBondContact O-CB 3.33Å; K229-E232 PolarHBondContact O-N 2.99Å; E232-A242 WeakPolarHBondContact CA-O 3.41Å; E232-A242 PolarHBondContact N-O 3.11Å; E232-A242 VanDerWaalsContact N-O 3.12Å
233	R	98.4	Very high	98.6	Very high	192 Å²	192	54.9 Å²	54.9	73%	0.725	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	8.1	172.9	-65.3	-178.4	178.3	-174.1	-0	114.2	N231 E235	N231-R233 PolarHBondContact O-N 3.36Å; R233-E235 VanDerWaalsContact C-N 3.26Å; R233-E235 HydrophobicContact CB-CG 3.92Å; R233-E235 WeakPolarHBondContact CB-OE1 3.31Å; R233-E235 VanDerWaalsContact CD-OE1 3.24Å; R233-E235 WeakPolarHBondContact CD-OE1 3.37Å; R233-E235 PolarHBondContact O-N 3.43Å
234	Y	98.5	Very high	98.7	Very high	46 Å²	46	45.8 Å²	45.8	18%	0.18	22%	0.215	C	C	.	.	S	Bend	trans	62.7	27.6	-179.2	-50	-86	0	0	0	114.4	N231 Y240 A242 E525 Q526	N231-Y234 WeakPolarHBondContact O-CA 3.49Å; N231-Y234 PolarHBondContact O-N 2.91Å; N231-Y234 VanDerWaalsContact OD1-CA 3.3Å; N231-Y234 WeakPolarHBondContact OD1-CA 3.48Å; Y234-Y240 WeakPolarHBondContact CD1-O 3.25Å; Y234-Y240 WeakPolarHBondContact CE1-O 3.49Å; Y234-A242 HydrophobicContact CE1-CB 4.15Å; Y234-E525 HydrophobicContact CE1-CB 4.13Å; Y234-E525 HydrophobicContact CE1-CG 4.37Å; Y234-E525 WeakPolarHBondContact CE1-OE2 3.41Å; Y234-E525 WeakPolarHBondContact OH-CG 3.47Å; Y234-E525 PolarHBondContact OH-OE2 2.86Å; Y234-Q526 HydrophobicContact CD1-CB 3.84Å; Y234-Q526 HydrophobicContact CD1-CG 4.4Å; Y234-Q526 HydrophobicContact CD2-CB 3.87Å; Y234-Q526 HydrophobicContact CD2-CG 3.58Å; Y234-Q526 HydrophobicContact CE1-CB 3.98Å; Y234-Q526 HydrophobicContact CE2-CB 4.02Å; Y234-Q526 HydrophobicContact CE2-CG 3.99Å; Y234-Q526 HydrophobicContact CG-CB 3.77Å; Y234-Q526 HydrophobicContact CG-CG 3.8Å
235	E	98.3	Very high	98.7	Very high	151 Å²	151	43.9 Å²	43.9	71%	0.706	20%	0.201	S	C	*	.	S	Bend	trans	-81.8	-27.4	-176	-67.2	174.3	-155.8	0	0	113.1	N231 R233	N231-E235 PolarHBondContact OD1-N 2.79Å; R233-E235 VanDerWaalsContact C-N 3.26Å; R233-E235 HydrophobicContact CB-CG 3.92Å; R233-E235 WeakPolarHBondContact CB-OE1 3.31Å; R233-E235 VanDerWaalsContact CD-OE1 3.24Å; R233-E235 WeakPolarHBondContact CD-OE1 3.37Å; R233-E235 PolarHBondContact O-N 3.43Å
236	L	98.4	Very high	98.7	Very high	24 Å²	24	43.8 Å²	43.8	13%	0.126	20%	0.201	C	C	.	.	S	Bend	trans	-79	-42.1	173.8	176.8	66.7	0	0	0	111.1	I230 N231 L244 L255 K256 I267	I230-L236 HydrophobicContact CD1-CD2 4.33Å; I230-L236 HydrophobicContact CG2-CB 4.41Å; I230-L236 HydrophobicContact CG2-CD2 3.64Å; N231-L236 HydrophobicContact CB-CB 4.36Å; N231-L236 WeakPolarHBondContact OD1-CB 3.4Å; N231-L236 PolarHBondContact OD1-N 3.41Å; N231-L236 VanDerWaalsContact OD1-N 3.11Å; L236-L244 HydrophobicContact CD2-CD1 4.11Å; L236-L255 HydrophobicContact CD2-CB 4.27Å; L236-K256 HydrophobicContact CD1-CG 4.45Å; L236-I267 HydrophobicContact CD2-CD1 3.88Å; L236-I267 HydrophobicContact CD2-CG1 4.34Å
237	C	98.8	Very high	98.7	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.027	19%	0.191	C	C	.	.			trans	-156.6	117.2	178.2	-178.1	0	0	0	0	111.5	N231 T239 Y240 R264 G265 R266	N231-C237 PolarHBondContact ND2-O 3.16Å; N231-C237 PolarHBondContact OD1-N 3.06Å; N231-C237 PolarHBondContact OD1-O 3.48Å; C237-T239 PolarHBondContact O-N 2.73Å; C237-T239 PolarHBondContact SG-OG1 3.07Å; C237-Y240 HydrophobicContact CB-CD2 4.35Å; C237-Y240 HydrophobicContact CB-CG 4.2Å; C237-Y240 PolarHBondContact O-N 2.64Å; C237-R264 PolarHBondContact SG-O 2.95Å; C237-G265 WeakPolarHBondContact CB-O 3.4Å; C237-R266 WeakPolarHBondContact SG-CG 3.44Å
238	D	98.7	Very high	98.7	Very high	82 Å²	82	40.8 Å²	40.8	44%	0.439	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-6.5	-176.5	70.5	-21	0	0	0	115.4	S524	D238-S524 PolarHBondContact O-OG 3.37Å
239	T	98.8	Very high	98.7	Very high	16 Å²	16	45.6 Å²	45.6	10%	0.098	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	6.2	178.1	55.7	0	0	0	0	113.4	C237 R266 W421 F456 G457	C237-T239 PolarHBondContact O-N 2.73Å; C237-T239 PolarHBondContact SG-OG1 3.07Å; T239-R266 VanDerWaalsContact C-NH1 3.34Å; T239-R266 VanDerWaalsContact CB-NH1 3.27Å; T239-R266 PolarHBondContact O-NH1 2.93Å; T239-R266 PolarHBondContact OG1-NH1 3.4Å; T239-W421 HydrophobicContact CG2-CZ3 4.26Å; T239-F456 CarbonylContact O-C 3.56Å; T239-G457 WeakPolarHBondContact O-CA 3.34Å
240	Y	98.8	Very high	98.7	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	19%	0.194	C	C	.	.	S	Bend	trans	-104.5	163.7	172.5	-97.2	15.8	0	0	0	111.3	Y234 C237 L244 R266 I267 V269 R283 F456	Y234-Y240 WeakPolarHBondContact CD1-O 3.25Å; Y234-Y240 WeakPolarHBondContact CE1-O 3.49Å; C237-Y240 HydrophobicContact CB-CD2 4.35Å; C237-Y240 HydrophobicContact CB-CG 4.2Å; C237-Y240 PolarHBondContact O-N 2.64Å; Y240-L244 HydrophobicContact CD2-CD1 4.06Å; Y240-L244 HydrophobicContact CD2-CD2 3.62Å; Y240-L244 HydrophobicContact CE2-CD2 4.37Å; Y240-L244 HydrophobicContact CG-CD2 4.2Å; Y240-R266 HydrophobicContact CD1-CB 4.42Å; Y240-R266 HydrophobicContact CD1-CG 4Å; Y240-R266 HydrophobicContact CE1-CB 3.75Å; Y240-R266 HydrophobicContact CE1-CG 3.78Å; Y240-R266 VanDerWaalsContact CE1-CZ 3.45Å; Y240-R266 HydrophobicContact CE2-CB 4.47Å; Y240-I267 HydrophobicContact CE2-CG1 4.34Å; Y240-I267 VanDerWaalsContact CE2-O 3.27Å; Y240-I267 WeakPolarHBondContact CE2-O 3.31Å; Y240-I267 PolarHBondContact OH-O 2.93Å; Y240-V269 HydrophobicContact CD2-CG2 4.43Å; Y240-V269 HydrophobicContact CE2-CG1 4Å; Y240-V269 HydrophobicContact CE2-CG2 3.67Å; Y240-R283 PolarHBondContact OH-O 3.12Å; Y240-F456 AromaticContact CD1-CD1 3.85Å; Y240-F456 HydrophobicContact CD1-CD1 3.85Å; Y240-F456 HydrophobicContact CD1-CE1 4.15Å; Y240-F456 AromaticContact CE1-CD1 3.72Å; Y240-F456 HydrophobicContact CE1-CD1 3.72Å; Y240-F456 AromaticContact CE1-CE1 3.92Å; Y240-F456 HydrophobicContact CE1-CE1 3.92Å; Y240-F456 HydrophobicContact CE2-CE1 4.38Å; Y240-F456 HydrophobicContact CG-CE1 4.47Å
241	P	98.9	Very high	98.7	Very high	3 Å²	3	41 Å²	41	2%	0.019	21%	0.206	C	C	.	.			trans	-66.3	160.9	172.9	27	-33.4	0	0	0	112.3	N231 L243 L244 F456 E525	N231-P241 PolarHBondContact ND2-O 3.05Å; P241-L243 VanDerWaalsContact C-N 3.3Å; P241-L243 PolarHBondContact O-N 3.31Å; P241-L244 HydrophobicContact CG-CD2 3.86Å; P241-F456 HydrophobicContact CG-CE1 4.34Å; P241-F456 HydrophobicContact CG-CE2 4.34Å; P241-F456 HydrophobicContact CG-CZ 4.21Å; P241-E525 VanDerWaalsContact CA-OE2 3.25Å; P241-E525 WeakPolarHBondContact CA-OE2 3.31Å
242	A	98.8	Very high	98.7	Very high	19 Å²	19	43.6 Å²	43.6	16%	0.157	22%	0.22	C	C	.	.	S	Bend	trans	-62.3	-34.7	179.2	0	0	0	0	0	113.3	N231 E232 Y234 E525	N231-A242 CarbonylContact C-O 3.58Å; N231-A242 WeakPolarHBondContact O-CA 3.38Å; E232-A242 WeakPolarHBondContact CA-O 3.41Å; E232-A242 PolarHBondContact N-O 3.11Å; E232-A242 VanDerWaalsContact N-O 3.12Å; Y234-A242 HydrophobicContact CE1-CB 4.15Å; A242-E525 PolarHBondContact N-OE2 3.36Å
243	L	98.8	Very high	98.6	Very high	27 Å²	27	44.7 Å²	44.7	14%	0.141	23%	0.225	C	C	.	.	S	Bend	trans	-107.8	132.2	178	-61.5	178.4	0	0	0	109.9	P211 L212 I227 K229 P241	P211-L243 HydrophobicContact CB-CD1 4.36Å; L212-L243 HydrophobicContact CD1-CD1 4.42Å; L212-L243 HydrophobicContact CD2-CD1 3.62Å; L212-L243 HydrophobicContact CG-CD1 3.78Å; I227-L243 HydrophobicContact CG2-CB 4.4Å; I227-L243 HydrophobicContact CG2-CD2 4.35Å; K229-L243 HydrophobicContact CG-CD2 4.08Å; P241-L243 VanDerWaalsContact C-N 3.3Å; P241-L243 PolarHBondContact O-N 3.31Å
244	L	98.9	Very high	98.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146.3	179.3	-57.3	174.7	0	0	0	110.1	I227 T228 N231 L236 Y240 P241 V269	I227-L244 CarbonylContact C-O 3.59Å; I227-L244 WeakPolarHBondContact CA-O 3.37Å; T228-L244 HydrophobicContact CG2-CB 3.8Å; T228-L244 WeakPolarHBondContact CG2-O 3.35Å; T228-L244 PolarHBondContact N-O 3.07Å; T228-L244 PolarHBondContact O-N 3.49Å; N231-L244 HydrophobicContact CB-CD1 3.72Å; N231-L244 HydrophobicContact CB-CG 4.14Å; L236-L244 HydrophobicContact CD2-CD1 4.11Å; Y240-L244 HydrophobicContact CD2-CD1 4.06Å; Y240-L244 HydrophobicContact CD2-CD2 3.62Å; Y240-L244 HydrophobicContact CE2-CD2 4.37Å; Y240-L244 HydrophobicContact CG-CD2 4.2Å; P241-L244 HydrophobicContact CG-CD2 3.86Å; L244-V269 HydrophobicContact CB-CG1 4.11Å; L244-V269 HydrophobicContact CD1-CG1 4.38Å; L244-V269 HydrophobicContact CD2-CG1 4.22Å; L244-V269 HydrophobicContact CD2-CG2 4.42Å; L244-V269 HydrophobicContact CG-CG1 4.48Å
245	V	98.9	Very high	98.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	127.6	174	172.7	0	0	0	0	109.8	Y215 I220 W225 R226 I227 V269 L270	Y215-V245 HydrophobicContact CD1-CG2 3.76Å; Y215-V245 HydrophobicContact CD2-CG2 3.81Å; Y215-V245 HydrophobicContact CE1-CB 4.11Å; Y215-V245 HydrophobicContact CE1-CG2 3.61Å; Y215-V245 HydrophobicContact CE2-CG2 3.68Å; Y215-V245 HydrophobicContact CG-CG2 3.87Å; I220-V245 HydrophobicContact CG2-CB 4.42Å; I220-V245 HydrophobicContact CG2-CG1 3.76Å; I220-V245 HydrophobicContact CG2-CG2 3.73Å; W225-V245 HydrophobicContact CB-CG1 4.02Å; W225-V245 HydrophobicContact CD2-CG1 4.48Å; W225-V245 HydrophobicContact CE3-CG1 3.91Å; R226-V245 WeakPolarHBondContact O-CA 3.45Å; I227-V245 HydrophobicContact CG1-CG2 3.73Å; V245-V269 WeakPolarHBondContact O-CA 3.44Å; V245-L270 HydrophobicContact CB-CB 3.82Å; V245-L270 HydrophobicContact CB-CD2 4.44Å; V245-L270 HydrophobicContact CG1-CB 3.58Å; V245-L270 HydrophobicContact CG1-CD2 3.61Å; V245-L270 HydrophobicContact CG1-CG 4.25Å; V245-L270 PolarHBondContact O-N 3.35Å
246	V	98.9	Very high	98.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	160.2	-169.1	-57.3	0	0	0	0	109.8	W225 R226 T228 A248 L255 I267 V269 Y302	W225-V246 VanDerWaalsContact CE3-C 3.41Å; R226-V246 HydrophobicContact CG-CG2 3.72Å; R226-V246 PolarHBondContact N-O 2.89Å; R226-V246 PolarHBondContact O-N 3.19Å; T228-V246 HydrophobicContact CG2-CG1 4.01Å; T228-V246 HydrophobicContact CG2-CG2 4.14Å; V246-A248 PolarHBondContact O-N 3.06Å; V246-L255 HydrophobicContact CB-CD2 4.26Å; V246-L255 HydrophobicContact CG1-CD1 4.13Å; V246-L255 HydrophobicContact CG1-CD2 4.06Å; V246-L255 HydrophobicContact CG2-CD1 4.27Å; V246-L255 HydrophobicContact CG2-CD2 4.49Å; V246-I267 HydrophobicContact CG1-CD1 4.5Å; V246-V269 HydrophobicContact CG1-CG1 4.27Å; V246-Y302 HydrophobicContact CB-CE2 4.48Å; V246-Y302 WeakPolarHBondContact CB-OH 3.46Å; V246-Y302 VanDerWaalsContact CG1-OH 3.27Å; V246-Y302 WeakPolarHBondContact CG1-OH 3.48Å
247	P	98.8	Very high	98.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	136.2	176.2	-23.9	34.2	0	0	0	111.5	S224 W225 N249 I250 Y302 A305 I306	S224-P247 CarbonylContact O-C 3.56Å; S224-P247 WeakPolarHBondContact O-CA 3.32Å; W225-P247 HydrophobicContact CE3-CG 4.49Å; W225-P247 HydrophobicContact CH2-CG 4.22Å; W225-P247 HydrophobicContact CZ3-CG 3.99Å; P247-N249 PolarHBondContact O-N 3.3Å; P247-I250 HydrophobicContact CB-CG1 4.08Å; P247-I250 HydrophobicContact CG-CG1 4.43Å; P247-I250 PolarHBondContact O-N 2.86Å; P247-I250 VanDerWaalsContact O-N 3.15Å; P247-Y302 WeakPolarHBondContact CD-OH 3.43Å; P247-Y302 HydrophobicContact CG-CE2 4.39Å; P247-A305 HydrophobicContact CB-CB 3.95Å; P247-A305 HydrophobicContact CG-CB 4.17Å; P247-I306 HydrophobicContact CG-CG1 3.8Å
248	A	98.6	Very high	98.7	Very high	38 Å²	38	38.1 Å²	38.1	31%	0.314	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-31	-169.9	0	0	0	0	0	113.4	E223 S224 R226 V246	E223-A248 VanDerWaalsContact O-CB 3.26Å; E223-A248 WeakPolarHBondContact O-CB 3.14Å; S224-A248 WeakPolarHBondContact O-CB 3.15Å; S224-A248 PolarHBondContact O-N 3.07Å; R226-A248 HydrophobicContact CB-CB 4.39Å; V246-A248 PolarHBondContact O-N 3.06Å
249	N	98.4	Very high	98.7	Very high	102 Å²	102	34.7 Å²	34.7	55%	0.545	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-6.1	-179.2	66.4	-5.7	0	0	0	114.8	P247	P247-N249 PolarHBondContact O-N 3.3Å
250	I	98.7	Very high	98.7	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.209	C	C	.	.	S	Bend	trans	-92.1	121.6	177.1	-59.9	-63.4	0	0	0	109.7	R226 P247 E254 L255 K301 Y302 A305	R226-I250 VanDerWaalsContact CZ-O 3.22Å; R226-I250 PolarHBondContact NE-O 2.95Å; R226-I250 PolarHBondContact NH2-O 3.18Å; P247-I250 HydrophobicContact CB-CG1 4.08Å; P247-I250 HydrophobicContact CG-CG1 4.43Å; P247-I250 PolarHBondContact O-N 2.86Å; P247-I250 VanDerWaalsContact O-N 3.15Å; I250-E254 HydrophobicContact CG2-CB 3.88Å; I250-L255 HydrophobicContact CG2-CD2 3.65Å; I250-L255 HydrophobicContact CG2-CG 4.33Å; I250-K301 HydrophobicContact CD1-CD 4.42Å; I250-K301 HydrophobicContact CD1-CG 4.44Å; I250-Y302 HydrophobicContact CB-CD2 4.25Å; I250-Y302 HydrophobicContact CB-CE2 4.2Å; I250-Y302 HydrophobicContact CD1-CD2 4.32Å; I250-Y302 HydrophobicContact CG1-CD2 3.8Å; I250-Y302 HydrophobicContact CG1-CE2 4.08Å; I250-Y302 HydrophobicContact CG2-CD2 3.82Å; I250-Y302 HydrophobicContact CG2-CE2 3.9Å; I250-A305 HydrophobicContact CD1-CB 3.94Å; I250-A305 HydrophobicContact CG1-CB 3.99Å
251	P	98.4	Very high	98.7	Very high	61 Å²	61	39.7 Å²	39.7	40%	0.396	21%	0.213	S	C	.	.			trans	-79.8	158.9	176.7	33.3	-36	0	0	0	112.8	E253 E254 L255	P251-E253 VanDerWaalsContact C-N 3.3Å; P251-E253 PolarHBondContact O-N 2.99Å; P251-E254 WeakPolarHBondContact CD-OE1 3.25Å; P251-E254 HydrophobicContact CG-CB 4.2Å; P251-E254 HydrophobicContact CG-CG 3.89Å; P251-E254 PolarHBondContact O-N 2.86Å; P251-L255 PolarHBondContact O-N 3.44Å
252	D	98.6	Very high	98.7	Very high	55 Å²	55	39.6 Å²	39.6	29%	0.294	21%	0.212	S	C	.	.	H	α-helix	trans	-59.9	-32.4	-176.1	-75.5	-12.6	0	0	0	114	R226 T228 I230 E254 L255 K256	R226-D252 IonicContact CZ-OD1 3.47Å; R226-D252 VanDerWaalsContact CZ-OD1 3.29Å; R226-D252 IonicContact NH1-OD1 3.5Å; R226-D252 PolarHBondContact NH1-OD1 3.3Å; R226-D252 IonicContact NH1-OD2 3.82Å; R226-D252 IonicContact NH2-OD1 2.74Å; R226-D252 PolarHBondContact NH2-OD1 2.82Å; T228-D252 WeakPolarHBondContact CB-OD1 3.47Å; T228-D252 VanDerWaalsContact OG1-CG 3.26Å; T228-D252 PolarHBondContact OG1-OD1 2.97Å; T228-D252 PolarHBondContact OG1-OD2 2.83Å; I230-D252 HydrophobicContact CB-CB 4.37Å; I230-D252 HydrophobicContact CD1-CB 3.79Å; I230-D252 WeakPolarHBondContact CD1-O 3.44Å; I230-D252 HydrophobicContact CG1-CB 4.25Å; D252-E254 VanDerWaalsContact C-N 3.31Å; D252-E254 PolarHBondContact O-N 3.21Å; D252-L255 WeakPolarHBondContact O-CB 3.07Å; D252-L255 PolarHBondContact O-N 2.86Å; D252-L255 WeakPolarHBondContact OD1-CD1 3.24Å; D252-K256 PolarHBondContact O-N 3.23Å
253	E	98.2	Very high	98.7	Very high	117 Å²	117	39.5 Å²	39.5	55%	0.547	21%	0.21	S	C	.	.	H	α-helix	trans	-68.1	-27.5	175.3	-66.6	-54.6	137.8	0	0	113.5	P251 K256	P251-E253 VanDerWaalsContact C-N 3.3Å; P251-E253 PolarHBondContact O-N 2.99Å; E253-K256 IonicContact OE1-NZ 2.63Å; E253-K256 PolarHBondContact OE1-NZ 2.82Å; E253-K256 WeakPolarHBondContact OE2-CD 3.43Å; E253-K256 IonicContact OE2-NZ 3Å; E253-K256 PolarHBondContact OE2-NZ 3.47Å
254	E	98.4	Very high	98.7	Very high	41 Å²	41	44.6 Å²	44.6	19%	0.192	23%	0.228	C	C	.	.	H	α-helix	trans	-72.8	-36.4	171.6	-75	-177	-139.2	0	0	110.7	I250 P251 D252 K256 R257 V258 K301	I250-E254 HydrophobicContact CG2-CB 3.88Å; P251-E254 WeakPolarHBondContact CD-OE1 3.25Å; P251-E254 HydrophobicContact CG-CB 4.2Å; P251-E254 HydrophobicContact CG-CG 3.89Å; P251-E254 PolarHBondContact O-N 2.86Å; D252-E254 VanDerWaalsContact C-N 3.31Å; D252-E254 PolarHBondContact O-N 3.21Å; E254-K256 VanDerWaalsContact C-N 3.25Å; E254-K256 PolarHBondContact O-N 2.83Å; E254-R257 WeakPolarHBondContact O-CA 3.21Å; E254-R257 WeakPolarHBondContact O-CB 3.49Å; E254-R257 PolarHBondContact O-N 3.43Å; E254-V258 WeakPolarHBondContact O-CG2 3.34Å; E254-V258 PolarHBondContact O-N 3Å; E254-K301 IonicContact OE1-NZ 2.9Å; E254-K301 PolarHBondContact OE1-NZ 3.07Å; E254-K301 WeakPolarHBondContact OE2-CD 3.17Å; E254-K301 WeakPolarHBondContact OE2-CE 3.34Å; E254-K301 IonicContact OE2-NZ 3.93Å; E254-K301 PolarHBondContact OE2-NZ 3.03Å
255	L	98.8	Very high	98.6	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.2	-37	176	-55.3	-178.7	0	0	0	112.4	T228 I230 L236 V246 I250 P251 D252 R257 V258 G259 I267 Y302	T228-L255 HydrophobicContact CG2-CD1 3.87Å; I230-L255 HydrophobicContact CD1-CB 4.06Å; I230-L255 HydrophobicContact CD1-CD1 4.39Å; I230-L255 HydrophobicContact CG2-CD1 3.97Å; L236-L255 HydrophobicContact CD2-CB 4.27Å; V246-L255 HydrophobicContact CB-CD2 4.26Å; V246-L255 HydrophobicContact CG1-CD1 4.13Å; V246-L255 HydrophobicContact CG1-CD2 4.06Å; V246-L255 HydrophobicContact CG2-CD1 4.27Å; V246-L255 HydrophobicContact CG2-CD2 4.49Å; I250-L255 HydrophobicContact CG2-CD2 3.65Å; I250-L255 HydrophobicContact CG2-CG 4.33Å; P251-L255 PolarHBondContact O-N 3.44Å; D252-L255 WeakPolarHBondContact O-CB 3.07Å; D252-L255 PolarHBondContact O-N 2.86Å; D252-L255 WeakPolarHBondContact OD1-CD1 3.24Å; L255-R257 VanDerWaalsContact C-N 3.3Å; L255-R257 PolarHBondContact O-N 3.27Å; L255-V258 PolarHBondContact O-N 2.77Å; L255-G259 PolarHBondContact O-N 3.34Å; L255-I267 HydrophobicContact CB-CD1 4.19Å; L255-I267 HydrophobicContact CD2-CD1 3.98Å; L255-I267 HydrophobicContact CG-CD1 4.49Å; L255-Y302 HydrophobicContact CD2-CD2 4.24Å; L255-Y302 HydrophobicContact CD2-CE2 3.45Å; L255-Y302 VanDerWaalsContact CD2-CE2 3.45Å
256	K	98.6	Very high	98.6	Very high	93 Å²	93	45 Å²	45	40%	0.404	23%	0.232	S	C	.	.	H	α-helix	trans	-62.7	-36	175.2	-61.5	-179.7	-170.9	164.2	0	112.4	I230 L236 D252 E253 E254 G259 S260	I230-K256 HydrophobicContact CD1-CG 3.81Å; L236-K256 HydrophobicContact CD1-CG 4.45Å; D252-K256 PolarHBondContact O-N 3.23Å; E253-K256 IonicContact OE1-NZ 2.63Å; E253-K256 PolarHBondContact OE1-NZ 2.82Å; E253-K256 WeakPolarHBondContact OE2-CD 3.43Å; E253-K256 IonicContact OE2-NZ 3Å; E253-K256 PolarHBondContact OE2-NZ 3.47Å; E254-K256 VanDerWaalsContact C-N 3.25Å; E254-K256 PolarHBondContact O-N 2.83Å; K256-G259 PolarHBondContact O-N 2.91Å; K256-S260 PolarHBondContact O-N 3.38Å; K256-S260 PolarHBondContact O-OG 3.16Å
257	R	98.6	Very high	98.6	Very high	144 Å²	144	45 Å²	45	54%	0.543	23%	0.232	S	C	.	.	H	α-helix	trans	-74.8	-42.5	179.4	-61	-177.4	-178.6	-157	1.7	111.4	E254 L255 G259 S260 F261 E298	E254-R257 WeakPolarHBondContact O-CA 3.21Å; E254-R257 WeakPolarHBondContact O-CB 3.49Å; E254-R257 PolarHBondContact O-N 3.43Å; L255-R257 VanDerWaalsContact C-N 3.3Å; L255-R257 PolarHBondContact O-N 3.27Å; R257-G259 VanDerWaalsContact C-N 3.28Å; R257-G259 PolarHBondContact O-N 2.75Å; R257-S260 WeakPolarHBondContact O-CB 3.41Å; R257-S260 PolarHBondContact O-N 2.78Å; R257-F261 PolarHBondContact O-N 3.45Å; R257-E298 HydrophobicContact CB-CB 4.03Å; R257-E298 HydrophobicContact CB-CG 3.87Å; R257-E298 WeakPolarHBondContact CD-OE1 3.44Å; R257-E298 HydrophobicContact CG-CG 4.47Å; R257-E298 IonicContact CZ-OE1 2.77Å; R257-E298 IonicContact NE-OE1 2.76Å; R257-E298 IonicContact NH1-OE1 3.7Å; R257-E298 PolarHBondContact NH1-OE1 2.86Å
258	V	98.8	Very high	98.6	Very high	1 Å²	1	45 Å²	45	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-57.9	-43.6	168.6	-176.3	0	0	0	0	109.9	E254 L255 S260 F261 R262 I267 E298 D299 Y302	E254-V258 WeakPolarHBondContact O-CG2 3.34Å; E254-V258 PolarHBondContact O-N 3Å; L255-V258 PolarHBondContact O-N 2.77Å; V258-S260 VanDerWaalsContact C-N 3.28Å; V258-S260 PolarHBondContact O-N 2.9Å; V258-F261 CarbonylContact O-C 3.29Å; V258-F261 PolarHBondContact O-N 3.22Å; V258-R262 HydrophobicContact CG1-CG 4.26Å; V258-R262 PolarHBondContact O-N 3.44Å; V258-I267 HydrophobicContact CB-CG2 3.92Å; V258-I267 HydrophobicContact CG1-CB 3.96Å; V258-I267 HydrophobicContact CG1-CG2 3.62Å; V258-E298 HydrophobicContact CG2-CB 4.07Å; V258-D299 HydrophobicContact CG1-CB 4.45Å; V258-D299 WeakPolarHBondContact CG1-OD2 3.39Å; V258-Y302 HydrophobicContact CG1-CG 4.4Å; V258-Y302 HydrophobicContact CG2-CD2 4.17Å; V258-Y302 HydrophobicContact CG2-CG 4.17Å
259	G	98.5	Very high	98.7	Very high	9 Å²	9	43.2 Å²	43.2	9%	0.093	22%	0.217	C	C	.	.	H	α-helix	trans	-60.4	-34.3	175.9	0	0	0	0	0	113.7	L255 K256 R257 F261 R262 G265	L255-G259 PolarHBondContact O-N 3.34Å; K256-G259 PolarHBondContact O-N 2.91Å; R257-G259 VanDerWaalsContact C-N 3.28Å; R257-G259 PolarHBondContact O-N 2.75Å; G259-F261 PolarHBondContact O-N 3.1Å; G259-R262 VanDerWaalsContact O-O 3.04Å; G259-G265 WeakPolarHBondContact O-CA 3.37Å
260	S	98.5	Very high	98.7	Very high	105 Å²	105	38.3 Å²	38.3	73%	0.734	19%	0.191	S	C	*	.	H	α-helix	trans	-70	-21.6	175	-56.5	0	0	0	0	113	K256 R257 V258	K256-S260 PolarHBondContact O-N 3.38Å; K256-S260 PolarHBondContact O-OG 3.16Å; R257-S260 WeakPolarHBondContact O-CB 3.41Å; R257-S260 PolarHBondContact O-N 2.78Å; V258-S260 VanDerWaalsContact C-N 3.28Å; V258-S260 PolarHBondContact O-N 2.9Å
261	F	98.8	Very high	98.7	Very high	17 Å²	17	38.3 Å²	38.3	8%	0.075	19%	0.19	C	C	.	.	H	α-helix	trans	-100.8	-14.5	178.6	-171.2	-109.9	0	0	0	114	R257 V258 G259 P287 M288 V289 K294 D299 Y343	R257-F261 PolarHBondContact O-N 3.45Å; V258-F261 CarbonylContact O-C 3.29Å; V258-F261 PolarHBondContact O-N 3.22Å; G259-F261 PolarHBondContact O-N 3.1Å; F261-P287 HydrophobicContact CD1-CB 4.04Å; F261-P287 HydrophobicContact CE1-CB 3.39Å; F261-P287 HydrophobicContact CZ-CB 3.92Å; F261-P287 CarbonylContact O-C 3.09Å; F261-M288 HydrophobicContact CD2-CB 4.41Å; F261-M288 VanDerWaalsContact O-CB 3.31Å; F261-M288 WeakPolarHBondContact O-CB 3.45Å; F261-M288 VanDerWaalsContact O-CG 3.24Å; F261-M288 WeakPolarHBondContact O-CG 3.49Å; F261-M288 PolarHBondContact O-N 3.35Å; F261-V289 HydrophobicContact CZ-CG2 3.98Å; F261-K294 HydrophobicContact CE2-CB 4.42Å; F261-K294 WeakPolarHBondContact CZ-O 3.37Å; F261-D299 HydrophobicContact CD1-CB 3.7Å; F261-D299 HydrophobicContact CE1-CB 4.27Å; F261-Y343 WeakPolarHBondContact CE1-OH 3.28Å
262	R	98.8	Very high	98.7	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.008	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-99.8	132.3	176.6	-69.6	-78.4	174.8	177.7	-6.7	110.2	V258 G259 R264 G265 I267 C284 S285 D299 E338	V258-R262 HydrophobicContact CG1-CG 4.26Å; V258-R262 PolarHBondContact O-N 3.44Å; G259-R262 VanDerWaalsContact O-O 3.04Å; R262-R264 PolarHBondContact O-N 3.42Å; R262-R264 VanDerWaalsContact O-N 3.16Å; R262-G265 PolarHBondContact O-N 3.08Å; R262-I267 HydrophobicContact CB-CG2 4.48Å; R262-C284 PolarHBondContact NH1-SG 2.72Å; R262-C284 VanDerWaalsContact NH1-SG 3.35Å; R262-S285 WeakPolarHBondContact CD-O 3.4Å; R262-S285 PolarHBondContact NH1-O 2.96Å; R262-D299 WeakPolarHBondContact CG-OD2 3.49Å; R262-D299 IonicContact CZ-OD1 2.72Å; R262-D299 IonicContact CZ-OD2 2.66Å; R262-D299 IonicContact NE-OD1 2.79Å; R262-D299 PolarHBondContact NE-OD1 3.01Å; R262-D299 IonicContact NE-OD2 3.46Å; R262-D299 PolarHBondContact NE-OD2 2.77Å; R262-D299 IonicContact NH2-OD1 3.35Å; R262-D299 PolarHBondContact NH2-OD1 2.91Å; R262-D299 IonicContact NH2-OD2 3.36Å; R262-E338 IonicContact CZ-OE1 3.76Å; R262-E338 IonicContact NH1-OE1 2.76Å; R262-E338 PolarHBondContact NH1-OE1 2.8Å; R262-E338 IonicContact NH2-OE1 3.87Å; R262-E338 PolarHBondContact NH2-OE1 3.21Å
263	S	98.8	Very high	98.7	Very high	17 Å²	17	33.2 Å²	33.2	12%	0.119	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-52.1	122.5	-177.4	-159.6	0	0	0	0	112.2	G265 R266 S285 Q286	S263-G265 VanDerWaalsContact C-N 3.27Å; S263-G265 PolarHBondContact O-N 3.23Å; S263-R266 PolarHBondContact O-N 2.84Å; S263-S285 PolarHBondContact N-OG 2.93Å; S263-S285 WeakPolarHBondContact O-CB 3.19Å; S263-S285 PolarHBondContact O-OG 2.8Å; S263-Q286 PolarHBondContact N-O 3.18Å
264	R	98.5	Very high	98.7	Very high	134 Å²	134	28 Å²	28	51%	0.506	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	62.9	23.6	-177.8	-43.2	175.3	-175.2	-83.7	-1	115	C237 R262 R266 D419 W421	C237-R264 PolarHBondContact SG-O 2.95Å; R262-R264 PolarHBondContact O-N 3.42Å; R262-R264 VanDerWaalsContact O-N 3.16Å; R264-R266 HydrophobicContact CB-CG 4.35Å; R264-R266 PolarHBondContact O-N 3.29Å; R264-D419 IonicContact CZ-OD1 3.97Å; R264-D419 IonicContact NE-OD1 3.29Å; R264-D419 PolarHBondContact NE-OD1 2.85Å; R264-D419 IonicContact NH2-OD1 3.58Å; R264-D419 PolarHBondContact NH2-OD1 3.43Å; R264-W421 VanDerWaalsContact CD-CZ3 3.4Å; R264-W421 VanDerWaalsContact CZ-CH2 3.44Å
265	G	98.6	Very high	98.7	Very high	8 Å²	8	30.8 Å²	30.8	8%	0.082	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	73.7	8.4	-179.8	0	0	0	0	0	114.7	C237 G259 R262 S263 I267	C237-G265 WeakPolarHBondContact CB-O 3.4Å; G259-G265 WeakPolarHBondContact O-CA 3.37Å; R262-G265 PolarHBondContact O-N 3.08Å; S263-G265 VanDerWaalsContact C-N 3.27Å; S263-G265 PolarHBondContact O-N 3.23Å; G265-I267 PolarHBondContact O-N 3.35Å
266	R	98.9	Very high	98.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.			trans	-80.3	70.3	-175	-65.4	174.5	70.8	83	2.6	110.9	C237 T239 Y240 S263 R264 C284 S285 D419 G420 F456	C237-R266 WeakPolarHBondContact SG-CG 3.44Å; T239-R266 VanDerWaalsContact C-NH1 3.34Å; T239-R266 VanDerWaalsContact CB-NH1 3.27Å; T239-R266 PolarHBondContact O-NH1 2.93Å; T239-R266 PolarHBondContact OG1-NH1 3.4Å; Y240-R266 HydrophobicContact CD1-CB 4.42Å; Y240-R266 HydrophobicContact CD1-CG 4Å; Y240-R266 HydrophobicContact CE1-CB 3.75Å; Y240-R266 HydrophobicContact CE1-CG 3.78Å; Y240-R266 VanDerWaalsContact CE1-CZ 3.45Å; Y240-R266 HydrophobicContact CE2-CB 4.47Å; S263-R266 PolarHBondContact O-N 2.84Å; R264-R266 HydrophobicContact CB-CG 4.35Å; R264-R266 PolarHBondContact O-N 3.29Å; R266-C284 WeakPolarHBondContact O-CA 3.32Å; R266-C284 VanDerWaalsContact O-CB 3.23Å; R266-C284 WeakPolarHBondContact O-CB 3.39Å; R266-S285 PolarHBondContact O-N 3.39Å; R266-S285 PolarHBondContact O-OG 3.02Å; R266-D419 WeakPolarHBondContact CD-O 3.3Å; R266-D419 PolarHBondContact NE-O 2.92Å; R266-G420 PolarHBondContact NH2-O 3.18Å; R266-F456 PolarHBondContact NH1-O 2.89Å; R266-F456 PolarHBondContact NH2-O 3.2Å
267	I	98.9	Very high	98.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.			trans	-61.3	159.6	179.7	61.4	160	0	0	0	112.5	L236 Y240 V246 L255 V258 R262 G265 V269	L236-I267 HydrophobicContact CD2-CD1 3.88Å; L236-I267 HydrophobicContact CD2-CG1 4.34Å; Y240-I267 HydrophobicContact CE2-CG1 4.34Å; Y240-I267 VanDerWaalsContact CE2-O 3.27Å; Y240-I267 WeakPolarHBondContact CE2-O 3.31Å; Y240-I267 PolarHBondContact OH-O 2.93Å; V246-I267 HydrophobicContact CG1-CD1 4.5Å; L255-I267 HydrophobicContact CB-CD1 4.19Å; L255-I267 HydrophobicContact CD2-CD1 3.98Å; L255-I267 HydrophobicContact CG-CD1 4.49Å; V258-I267 HydrophobicContact CB-CG2 3.92Å; V258-I267 HydrophobicContact CG1-CB 3.96Å; V258-I267 HydrophobicContact CG1-CG2 3.62Å; R262-I267 HydrophobicContact CB-CG2 4.48Å; G265-I267 PolarHBondContact O-N 3.35Å; I267-V269 HydrophobicContact CD1-CG1 4.12Å; I267-V269 HydrophobicContact CG1-CG1 3.9Å; I267-V269 PolarHBondContact O-N 2.95Å
268	P	98.9	Very high	98.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.			trans	-66.5	124.1	175	-8.8	23.3	0	0	0	110.8	R283 C284 Y302 L303 I306 V414	P268-R283 VanDerWaalsContact CA-O 3.32Å; P268-R283 WeakPolarHBondContact CA-O 3.41Å; P268-C284 HydrophobicContact CB-CB 4.04Å; P268-C284 HydrophobicContact CG-CB 3.92Å; P268-Y302 HydrophobicContact CB-CD1 4.26Å; P268-Y302 HydrophobicContact CB-CE1 3.82Å; P268-Y302 HydrophobicContact CG-CD1 3.93Å; P268-Y302 HydrophobicContact CG-CE1 3.92Å; P268-Y302 WeakPolarHBondContact O-CE1 3.25Å; P268-Y302 VanDerWaalsContact O-CZ 3.27Å; P268-Y302 PolarHBondContact O-OH 2.9Å; P268-L303 HydrophobicContact CG-CD1 3.92Å; P268-I306 HydrophobicContact CB-CD1 4.03Å; P268-V414 HydrophobicContact CB-CG1 4.39Å
269	V	98.9	Very high	98.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	154.4	179.5	-63.5	0	0	0	0	111	Y240 L244 V245 V246 I267 S271 T282 R283 F456	Y240-V269 HydrophobicContact CD2-CG2 4.43Å; Y240-V269 HydrophobicContact CE2-CG1 4Å; Y240-V269 HydrophobicContact CE2-CG2 3.67Å; L244-V269 HydrophobicContact CB-CG1 4.11Å; L244-V269 HydrophobicContact CD1-CG1 4.38Å; L244-V269 HydrophobicContact CD2-CG1 4.22Å; L244-V269 HydrophobicContact CD2-CG2 4.42Å; L244-V269 HydrophobicContact CG-CG1 4.48Å; V245-V269 WeakPolarHBondContact O-CA 3.44Å; V246-V269 HydrophobicContact CG1-CG1 4.27Å; I267-V269 HydrophobicContact CD1-CG1 4.12Å; I267-V269 HydrophobicContact CG1-CG1 3.9Å; I267-V269 PolarHBondContact O-N 2.95Å; V269-S271 PolarHBondContact O-N 3.41Å; V269-T282 CarbonylContact O-C 3.57Å; V269-T282 VanDerWaalsContact O-CA 3.22Å; V269-T282 WeakPolarHBondContact O-CA 3.4Å; V269-R283 HydrophobicContact CG2-CG 4.34Å; V269-R283 PolarHBondContact N-O 3.24Å; V269-R283 VanDerWaalsContact N-O 3.11Å; V269-R283 PolarHBondContact O-N 3.38Å; V269-F456 HydrophobicContact CG2-CE1 3.46Å; V269-F456 VanDerWaalsContact CG2-CE1 3.46Å; V269-F456 HydrophobicContact CG2-CZ 3.63Å
270	L	98.9	Very high	98.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	125	-175.7	-168.8	69.7	0	0	0	112.2	Y215 I220 W225 V245 W272 I273 T280 T282	Y215-L270 PolarHBondContact OH-O 3.13Å; I220-L270 HydrophobicContact CD1-CD2 4.04Å; I220-L270 HydrophobicContact CG1-CD2 3.85Å; W225-L270 HydrophobicContact CD2-CD1 4.47Å; W225-L270 HydrophobicContact CD2-CD2 4.36Å; W225-L270 HydrophobicContact CE3-CB 4.16Å; W225-L270 HydrophobicContact CE3-CD1 4.47Å; W225-L270 HydrophobicContact CE3-CD2 4.47Å; W225-L270 HydrophobicContact CG-CD2 4.49Å; W225-L270 HydrophobicContact CH2-CD1 4.22Å; W225-L270 HydrophobicContact CZ2-CD1 4.24Å; W225-L270 HydrophobicContact CZ3-CB 4.12Å; W225-L270 HydrophobicContact CZ3-CD1 4.34Å; V245-L270 HydrophobicContact CB-CB 3.82Å; V245-L270 HydrophobicContact CB-CD2 4.44Å; V245-L270 HydrophobicContact CG1-CB 3.58Å; V245-L270 HydrophobicContact CG1-CD2 3.61Å; V245-L270 HydrophobicContact CG1-CG 4.25Å; V245-L270 PolarHBondContact O-N 3.35Å; L270-W272 VanDerWaalsContact CD1-O 3.27Å; L270-W272 WeakPolarHBondContact CD1-O 3.48Å; L270-I273 HydrophobicContact CD1-CB 4.36Å; L270-I273 HydrophobicContact CD2-CB 4.29Å; L270-I273 HydrophobicContact CD2-CG2 4.27Å; L270-T280 HydrophobicContact CD1-CG2 3.54Å; L270-T282 HydrophobicContact CD1-CG2 4.38Å
271	S	98.9	Very high	98.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-43	171.2	-46.2	0	0	0	0	110.6	V269 V281 R283 K451	V269-S271 PolarHBondContact O-N 3.41Å; S271-V281 WeakPolarHBondContact CA-O 3.24Å; S271-V281 WeakPolarHBondContact CB-O 3.39Å; S271-V281 PolarHBondContact N-O 3.12Å; S271-R283 VanDerWaalsContact OG-CD 3.22Å; S271-R283 WeakPolarHBondContact OG-CD 3.33Å; S271-R283 WeakPolarHBondContact OG-CG 3.41Å; S271-K451 PolarHBondContact O-NZ 3.05Å
272	W	98.9	Very high	98.5	Very high	6 Å²	6	24 Å²	24	2%	0.023	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	152	178.2	-171.4	79.3	0	0	0	112	L270 H274 T280 V281 V406 M432 L435 D436 Y439	L270-W272 VanDerWaalsContact CD1-O 3.27Å; L270-W272 WeakPolarHBondContact CD1-O 3.48Å; W272-H274 VanDerWaalsContact CH2-CA 3.46Å; W272-H274 HydrophobicContact CH2-CB 3.85Å; W272-H274 VanDerWaalsContact CZ3-CA 3.44Å; W272-H274 HydrophobicContact CZ3-CB 3.63Å; W272-T280 CarbonylContact O-C 3.34Å; W272-T280 WeakPolarHBondContact O-CA 3.48Å; W272-V281 HydrophobicContact CB-CB 4.29Å; W272-V281 HydrophobicContact CE3-CG2 4.43Å; W272-V281 PolarHBondContact N-O 3.13Å; W272-V281 VanDerWaalsContact N-O 3.16Å; W272-V281 PolarHBondContact O-N 3.29Å; W272-V406 HydrophobicContact CE3-CG1 4.32Å; W272-V406 HydrophobicContact CZ3-CG1 3.75Å; W272-M432 HydrophobicContact CB-CE 4.36Å; W272-M432 HydrophobicContact CB-CG 3.8Å; W272-M432 HydrophobicContact CB-SD 4.19Å; W272-M432 HydrophobicContact CG-CG 4.19Å; W272-L435 HydrophobicContact CE3-CD1 3.88Å; W272-L435 HydrophobicContact CH2-CB 3.75Å; W272-L435 HydrophobicContact CH2-CD1 4.27Å; W272-L435 HydrophobicContact CH2-CD2 4.46Å; W272-L435 HydrophobicContact CH2-CG 4.38Å; W272-L435 HydrophobicContact CZ2-CB 3.98Å; W272-L435 HydrophobicContact CZ3-CB 4.07Å; W272-L435 HydrophobicContact CZ3-CD1 3.71Å; W272-L435 HydrophobicContact CZ3-CD2 4.44Å; W272-L435 HydrophobicContact CZ3-CG 4.3Å; W272-D436 HydrophobicContact CZ2-CB 4Å; W272-D436 PolarHBondContact NE1-OD2 3.24Å; W272-Y439 AromaticContact CD1-CE2 3.92Å
273	I	98.8	Very high	98.5	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.4	173	-178.3	160	0	0	0	110.5	Q218 I220 L270 Q278 T280	Q218-I273 HydrophobicContact CB-CG2 3.86Å; Q218-I273 WeakPolarHBondContact O-CG2 3.3Å; I220-I273 HydrophobicContact CD1-CD1 4.2Å; I220-I273 HydrophobicContact CD1-CG2 3.99Å; I220-I273 HydrophobicContact CG1-CG2 3.94Å; L270-I273 HydrophobicContact CD1-CB 4.36Å; L270-I273 HydrophobicContact CD2-CB 4.29Å; L270-I273 HydrophobicContact CD2-CG2 4.27Å; I273-Q278 HydrophobicContact CD1-CB 4.26Å; I273-Q278 VanDerWaalsContact CD1-OE1 3.27Å; I273-T280 HydrophobicContact CB-CG2 4.04Å; I273-T280 HydrophobicContact CD1-CG2 3.84Å; I273-T280 HydrophobicContact CG1-CG2 3.84Å
274	H	98.5	Very high	98.5	Very high	8 Å²	8	23.1 Å²	23.1	4%	0.037	11%	0.114	C	C	.	.			trans	-71	128.1	177.2	-174.9	-55.6	0	0	0	110.3	W272 E276 S277 Q278 A279 V406 E407 K410	W272-H274 VanDerWaalsContact CH2-CA 3.46Å; W272-H274 HydrophobicContact CH2-CB 3.85Å; W272-H274 VanDerWaalsContact CZ3-CA 3.44Å; W272-H274 HydrophobicContact CZ3-CB 3.63Å; H274-E276 PolarHBondContact ND1-N 2.86Å; H274-E276 VanDerWaalsContact ND1-N 3.1Å; H274-E276 PolarHBondContact O-N 3.09Å; H274-S277 WeakPolarHBondContact CB-OG 3.44Å; H274-S277 PolarHBondContact CD2-OG 3.35Å; H274-S277 PolarHBondContact ND1-N 2.67Å; H274-S277 PolarHBondContact ND1-OG 3.03Å; H274-Q278 WeakPolarHBondContact O-CA 3.44Å; H274-Q278 PolarHBondContact O-N 3.19Å; H274-Q278 VanDerWaalsContact O-N 3.14Å; H274-Q278 PolarHBondContact O-NE2 2.97Å; H274-A279 HydrophobicContact CB-CB 4.31Å; H274-A279 WeakPolarHBondContact CB-O 3.39Å; H274-A279 PolarHBondContact N-O 3.26Å; H274-V406 HydrophobicContact CB-CG1 4.34Å; H274-E407 IonicContact CD2-OE2 3.17Å; H274-E407 IonicContact NE2-OE1 2.72Å; H274-E407 IonicContact NE2-OE2 2.73Å; H274-E407 PolarHBondContact NE2-OE2 3.34Å; H274-K410 PolarHBondContact NE2-NZ 2.89Å
275	P	96.9	Very high	98.5	Very high	99 Å²	99	16.8 Å²	16.8	64%	0.643	9%	0.089	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-40.8	-171.9	21.6	-33.3	0	0	0	113.5	Q278	P275-Q278 PolarHBondContact O-NE2 3.47Å
276	E	95.8	Very high	98.5	Very high	163 Å²	163	16.9 Å²	16.9	76%	0.762	9%	0.088	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-59.1	179.7	-52.2	177.7	176.5	0	0	113.6	H274 Q278	H274-E276 PolarHBondContact ND1-N 2.86Å; H274-E276 VanDerWaalsContact ND1-N 3.1Å; H274-E276 PolarHBondContact O-N 3.09Å; E276-Q278 VanDerWaalsContact C-N 3.34Å; E276-Q278 PolarHBondContact O-N 3.29Å
277	S	97	Very high	98.5	Very high	5 Å²	5	16.9 Å²	16.9	4%	0.035	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-11.8	-170.7	63.4	0	0	0	0	115.8	H274 A279 N310	H274-S277 WeakPolarHBondContact CB-OG 3.44Å; H274-S277 PolarHBondContact CD2-OG 3.35Å; H274-S277 PolarHBondContact ND1-N 2.67Å; H274-S277 PolarHBondContact ND1-OG 3.03Å; S277-A279 PolarHBondContact O-N 3.25Å; S277-A279 VanDerWaalsContact O-N 3.13Å; S277-A279 WeakPolarHBondContact OG-CB 3.46Å; S277-A279 PolarHBondContact OG-N 2.64Å; S277-N310 PolarHBondContact O-OD1 3.46Å
278	Q	98	Very high	98.5	Very high	57 Å²	57	20 Å²	20	27%	0.266	10%	0.103	S	C	.	.			trans	59.8	12.1	-170.5	-52.1	-60.2	-67.6	0	0	114.5	N222 I273 H274 P275 E276 T280	N222-Q278 PolarHBondContact ND2-OE1 2.8Å; I273-Q278 HydrophobicContact CD1-CB 4.26Å; I273-Q278 VanDerWaalsContact CD1-OE1 3.27Å; H274-Q278 WeakPolarHBondContact O-CA 3.44Å; H274-Q278 PolarHBondContact O-N 3.19Å; H274-Q278 VanDerWaalsContact O-N 3.14Å; H274-Q278 PolarHBondContact O-NE2 2.97Å; P275-Q278 PolarHBondContact O-NE2 3.47Å; E276-Q278 VanDerWaalsContact C-N 3.34Å; E276-Q278 PolarHBondContact O-N 3.29Å; Q278-T280 WeakPolarHBondContact O-CG2 3.18Å; Q278-T280 PolarHBondContact O-N 2.78Å
279	A	98.6	Very high	98.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.106	C	C	.	.			trans	-64.2	132.2	171.4	0	0	0	0	0	110.6	H274 S277 N310 V406	H274-A279 HydrophobicContact CB-CB 4.31Å; H274-A279 WeakPolarHBondContact CB-O 3.39Å; H274-A279 PolarHBondContact N-O 3.26Å; S277-A279 PolarHBondContact O-N 3.25Å; S277-A279 VanDerWaalsContact O-N 3.13Å; S277-A279 WeakPolarHBondContact OG-CB 3.46Å; S277-A279 PolarHBondContact OG-N 2.64Å; A279-N310 WeakPolarHBondContact CA-ND2 3.43Å; A279-V406 HydrophobicContact CB-CG1 3.94Å
280	T	98.9	Very high	98.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	143.7	-169.9	59.7	0	0	0	0	114.2	W225 L270 W272 I273 Q278 S412 V413	W225-T280 HydrophobicContact CH2-CG2 4.42Å; W225-T280 HydrophobicContact CZ2-CG2 3.47Å; W225-T280 VanDerWaalsContact CZ2-CG2 3.47Å; L270-T280 HydrophobicContact CD1-CG2 3.54Å; W272-T280 CarbonylContact O-C 3.34Å; W272-T280 WeakPolarHBondContact O-CA 3.48Å; I273-T280 HydrophobicContact CB-CG2 4.04Å; I273-T280 HydrophobicContact CD1-CG2 3.84Å; I273-T280 HydrophobicContact CG1-CG2 3.84Å; Q278-T280 WeakPolarHBondContact O-CG2 3.18Å; Q278-T280 PolarHBondContact O-N 2.78Å; T280-S412 PolarHBondContact N-OG 3.16Å; T280-S412 VanDerWaalsContact N-OG 3.14Å; T280-S412 CarbonylContact O-C 3.12Å; T280-S412 WeakPolarHBondContact O-CA 3.47Å; T280-S412 WeakPolarHBondContact OG1-CB 3.29Å; T280-S412 PolarHBondContact OG1-OG 3.49Å; T280-V413 PolarHBondContact O-N 2.91Å
281	V	98.9	Very high	98.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	115.4	160.6	-176.5	0	0	0	0	108.6	S271 W272 I402 V406 V413 V415 T428 L435	S271-V281 WeakPolarHBondContact CA-O 3.24Å; S271-V281 WeakPolarHBondContact CB-O 3.39Å; S271-V281 PolarHBondContact N-O 3.12Å; W272-V281 HydrophobicContact CB-CB 4.29Å; W272-V281 HydrophobicContact CE3-CG2 4.43Å; W272-V281 PolarHBondContact N-O 3.13Å; W272-V281 VanDerWaalsContact N-O 3.16Å; W272-V281 PolarHBondContact O-N 3.29Å; V281-I402 HydrophobicContact CG2-CG2 4.44Å; V281-V406 HydrophobicContact CG2-CG2 3.93Å; V281-V413 HydrophobicContact CB-CG2 4.13Å; V281-V413 HydrophobicContact CG1-CG2 4.18Å; V281-V413 HydrophobicContact CG2-CG2 3.85Å; V281-V415 HydrophobicContact CG1-CG2 4.12Å; V281-T428 HydrophobicContact CG1-CG2 4.06Å; V281-L435 HydrophobicContact CG2-CD1 4.39Å
282	T	98.9	Very high	97.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	154	172.7	62.6	0	0	0	0	111	W225 V269 L270 I306 V413 V414 V415	W225-T282 HydrophobicContact CH2-CG2 3.72Å; W225-T282 HydrophobicContact CZ3-CG2 4.36Å; V269-T282 CarbonylContact O-C 3.57Å; V269-T282 VanDerWaalsContact O-CA 3.22Å; V269-T282 WeakPolarHBondContact O-CA 3.4Å; L270-T282 HydrophobicContact CD1-CG2 4.38Å; T282-I306 HydrophobicContact CG2-CD1 4.21Å; T282-I306 HydrophobicContact CG2-CG2 4.04Å; T282-V413 PolarHBondContact N-O 3.03Å; T282-V413 PolarHBondContact OG1-O 3.13Å; T282-V414 WeakPolarHBondContact OG1-CA 3.13Å; T282-V415 PolarHBondContact O-N 2.64Å
283	R	98.9	Very high	97.8	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	141.7	-177	69.3	-177.3	-72.1	176.6	-7.8	113.8	Y240 P268 V269 S271 V415 G420 T424 T428 E452 F456	Y240-R283 PolarHBondContact OH-O 3.12Å; P268-R283 VanDerWaalsContact CA-O 3.32Å; P268-R283 WeakPolarHBondContact CA-O 3.41Å; V269-R283 HydrophobicContact CG2-CG 4.34Å; V269-R283 PolarHBondContact N-O 3.24Å; V269-R283 VanDerWaalsContact N-O 3.11Å; V269-R283 PolarHBondContact O-N 3.38Å; S271-R283 VanDerWaalsContact OG-CD 3.22Å; S271-R283 WeakPolarHBondContact OG-CD 3.33Å; S271-R283 WeakPolarHBondContact OG-CG 3.41Å; R283-V415 WeakPolarHBondContact CA-O 3.45Å; R283-G420 PolarHBondContact NH2-O 3.28Å; R283-T424 HydrophobicContact CB-CG2 3.83Å; R283-T428 HydrophobicContact CB-CG2 3.98Å; R283-T428 PolarHBondContact NH1-OG1 3.21Å; R283-E452 WeakPolarHBondContact CD-OE2 3.49Å; R283-E452 IonicContact CZ-OE2 2.67Å; R283-E452 IonicContact NE-OE2 2.72Å; R283-E452 PolarHBondContact NH1-O 3.23Å; R283-E452 IonicContact NH1-OE2 3.05Å; R283-E452 PolarHBondContact NH1-OE2 3.05Å; R283-E452 PolarHBondContact NH2-O 3.26Å; R283-F456 HydrophobicContact CG-CD1 4.34Å; R283-F456 HydrophobicContact CG-CE1 3.98Å; R283-F456 HydrophobicContact CG-CZ 4.31Å
284	C	98.9	Very high	97.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	22%	0.219	C	C	.	.			trans	-151.5	179.6	178.1	54.8	0	0	0	0	113.5	R262 R266 P268 V414 V415 H416 G420	R262-C284 PolarHBondContact NH1-SG 2.72Å; R262-C284 VanDerWaalsContact NH1-SG 3.35Å; R266-C284 WeakPolarHBondContact O-CA 3.32Å; R266-C284 VanDerWaalsContact O-CB 3.23Å; R266-C284 WeakPolarHBondContact O-CB 3.39Å; P268-C284 HydrophobicContact CB-CB 4.04Å; P268-C284 HydrophobicContact CG-CB 3.92Å; C284-V414 VanDerWaalsContact SG-CG1 3.55Å; C284-V415 PolarHBondContact N-O 3.36Å; C284-V415 VanDerWaalsContact N-O 3.15Å; C284-H416 WeakPolarHBondContact O-CA 3.21Å; C284-H416 VanDerWaalsContact O-CB 3.25Å; C284-H416 WeakPolarHBondContact O-CB 3.26Å; C284-G420 VanDerWaalsContact O-CA 3.29Å; C284-G420 WeakPolarHBondContact O-CA 3.31Å
285	S	98.9	Very high	97.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-85.9	172.5	158	62.7	0	0	0	0	112.4	R262 S263 R266 S418	R262-S285 WeakPolarHBondContact CD-O 3.4Å; R262-S285 PolarHBondContact NH1-O 2.96Å; S263-S285 PolarHBondContact N-OG 2.93Å; S263-S285 WeakPolarHBondContact O-CB 3.19Å; S263-S285 PolarHBondContact O-OG 2.8Å; R266-S285 PolarHBondContact O-N 3.39Å; R266-S285 PolarHBondContact O-OG 3.02Å; S285-S418 WeakPolarHBondContact CB-O 3.48Å
286	Q	98.8	Very high	97.7	Very high	11 Å²	11	40.4 Å²	40.4	5%	0.051	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-55.4	152.4	168.9	67.7	-171.1	-38.4	0	0	113.9	S263 N330 G336 C417 S418	S263-Q286 PolarHBondContact N-O 3.18Å; Q286-N330 PolarHBondContact NE2-OD1 3.23Å; Q286-N330 VanDerWaalsContact OE1-CB 3.24Å; Q286-N330 PolarHBondContact OE1-OD1 2.9Å; Q286-G336 VanDerWaalsContact OE1-N 3.07Å; Q286-G336 PolarHBondContact OE1-O 3.36Å; Q286-C417 WeakPolarHBondContact CB-O 3.42Å; Q286-C417 PolarHBondContact N-O 3.03Å; Q286-C417 VanDerWaalsContact N-O 3.11Å; Q286-S418 WeakPolarHBondContact CG-O 3.43Å; Q286-S418 PolarHBondContact N-O 3.47Å
287	P	98.8	Very high	97.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-73.7	152.4	166.2	33	-36.5	0	0	0	112	F261 V289 G335 G336 E338	F261-P287 HydrophobicContact CD1-CB 4.04Å; F261-P287 HydrophobicContact CE1-CB 3.39Å; F261-P287 HydrophobicContact CZ-CB 3.92Å; F261-P287 CarbonylContact O-C 3.09Å; P287-V289 VanDerWaalsContact C-N 3.32Å; P287-V289 HydrophobicContact CB-CG2 3.97Å; P287-V289 HydrophobicContact CG-CG2 3.88Å; P287-V289 PolarHBondContact O-N 2.82Å; P287-G335 CarbonylContact O-C 3.31Å; P287-G335 WeakPolarHBondContact O-CA 3.44Å; P287-G336 PolarHBondContact O-N 3.06Å; P287-G336 VanDerWaalsContact O-N 3.17Å; P287-E338 VanDerWaalsContact CD-OE2 3.3Å; P287-E338 WeakPolarHBondContact CD-OE2 3.46Å; P287-E338 HydrophobicContact CG-CG 4.23Å; P287-E338 WeakPolarHBondContact CG-OE2 3.33Å
288	M	98.6	Very high	97.9	Very high	65 Å²	65	42.4 Å²	42.4	32%	0.32	22%	0.221	S	C	.	.			trans	-93.6	53.9	-177.7	-61.8	-59.8	-65.4	0	0	112	F261 G334	F261-M288 HydrophobicContact CD2-CB 4.41Å; F261-M288 VanDerWaalsContact O-CB 3.31Å; F261-M288 WeakPolarHBondContact O-CB 3.45Å; F261-M288 VanDerWaalsContact O-CG 3.24Å; F261-M288 WeakPolarHBondContact O-CG 3.49Å; F261-M288 PolarHBondContact O-N 3.35Å; M288-G334 CarbonylContact C-O 3.58Å; M288-G334 VanDerWaalsContact C-O 3.31Å; M288-G334 VanDerWaalsContact CA-O 3.32Å; M288-G334 WeakPolarHBondContact CA-O 3.46Å; M288-G334 WeakPolarHBondContact CE-O 3.34Å
289	V	98	Very high	98	Very high	10 Å²	10	39.7 Å²	39.7	6%	0.061	21%	0.208	C	C	.	.			trans	-66.6	-45.1	-175.9	178.9	0	0	0	0	112	F261 P287 K294 G335	F261-V289 HydrophobicContact CZ-CG2 3.98Å; P287-V289 VanDerWaalsContact C-N 3.32Å; P287-V289 HydrophobicContact CB-CG2 3.97Å; P287-V289 HydrophobicContact CG-CG2 3.88Å; P287-V289 PolarHBondContact O-N 2.82Å; V289-K294 WeakPolarHBondContact CA-O 3.14Å; V289-K294 VanDerWaalsContact O-CB 3.31Å; V289-K294 WeakPolarHBondContact O-CB 3.21Å; V289-K294 PolarHBondContact O-N 3.45Å; V289-G335 PolarHBondContact N-O 2.93Å
290	G	96.8	Very high	98	Very high	8 Å²	8	41.5 Å²	41.5	8%	0.082	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	-175.9	-175.6	0	0	0	0	0	115.1	S292 G293 K331 G334 G335	G290-S292 PolarHBondContact O-N 2.82Å; G290-G293 PolarHBondContact O-N 2.84Å; G290-K331 CarbonylContact C-O 3.56Å; G290-K331 VanDerWaalsContact C-O 3.3Å; G290-K331 VanDerWaalsContact CA-O 3.3Å; G290-K331 WeakPolarHBondContact CA-O 3.48Å; G290-K331 VanDerWaalsContact O-CE 3.23Å; G290-K331 WeakPolarHBondContact O-CE 3.39Å; G290-K331 VanDerWaalsContact O-CG 3.28Å; G290-K331 WeakPolarHBondContact O-CG 3.44Å; G290-G334 PolarHBondContact N-O 3.44Å; G290-G335 PolarHBondContact N-O 3.21Å
291	V	94.9	Very high	97.9	Very high	112 Å²	112	45.8 Å²	45.8	68%	0.679	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-33.2	177.5	-65.8	0	0	0	0	112.9	G293 K331	V291-G293 PolarHBondContact O-N 3.2Å; V291-K331 PolarHBondContact N-O 3.01Å
292	S	94.4	Very high	97.9	Very high	97 Å²	97	45.9 Å²	45.9	68%	0.678	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-0.4	-176.9	-47	0	0	0	0	114.7	G290	G290-S292 PolarHBondContact O-N 2.82Å
293	G	95.5	Very high	97.9	Very high	38 Å²	38	46 Å²	46	39%	0.392	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	37	-180	0	0	0	0	0	113.6	G290 V291	G290-G293 PolarHBondContact O-N 2.84Å; V291-G293 PolarHBondContact O-N 3.2Å
294	K	96.9	Very high	97.9	Very high	136 Å²	136	49 Å²	49	59%	0.591	25%	0.251	S	S	*	.			trans	-61.5	140.8	179.9	-64.9	-177.3	176.7	-178.1	0	110.9	F261 V289	F261-K294 HydrophobicContact CE2-CB 4.42Å; F261-K294 WeakPolarHBondContact CZ-O 3.37Å; V289-K294 WeakPolarHBondContact CA-O 3.14Å; V289-K294 VanDerWaalsContact O-CB 3.31Å; V289-K294 WeakPolarHBondContact O-CB 3.21Å; V289-K294 PolarHBondContact O-N 3.45Å
295	R	97.9	Very high	97.9	Very high	133 Å²	133	49.1 Å²	49.1	50%	0.502	25%	0.251	S	S	.	.			trans	-118.3	158.8	178.6	-77.4	176.6	65.7	155.9	1	109.9	E300 D341 A342	R295-E300 VanDerWaalsContact CB-OE1 3.27Å; R295-E300 WeakPolarHBondContact CB-OE1 3.41Å; R295-E300 WeakPolarHBondContact CG-OE1 3.47Å; R295-E300 IonicContact CZ-OE1 3.74Å; R295-E300 IonicContact CZ-OE2 2.72Å; R295-E300 IonicContact NE-OE1 2.64Å; R295-E300 PolarHBondContact NE-OE1 2.89Å; R295-E300 IonicContact NE-OE2 3.7Å; R295-E300 VanDerWaalsContact NH2-CD 3.32Å; R295-E300 IonicContact NH2-OE1 3.7Å; R295-E300 PolarHBondContact NH2-OE1 2.99Å; R295-E300 IonicContact NH2-OE2 3.7Å; R295-E300 PolarHBondContact NH2-OE2 3.04Å; R295-D341 PolarHBondContact NH1-O 2.87Å; R295-A342 HydrophobicContact CG-CB 4.03Å; R295-A342 VanDerWaalsContact CZ-CA 3.5Å
296	S	98.4	Very high	97.9	Very high	12 Å²	12	49.1 Å²	49.1	8%	0.084	25%	0.251	C	S	.	.			trans	-130.2	115.5	170	174.9	0	0	0	0	108.5	E298 D299 E300	S296-E298 PolarHBondContact O-N 3.28Å; S296-D299 PolarHBondContact O-N 3.19Å; S296-D299 PolarHBondContact OG-N 2.93Å; S296-E300 WeakPolarHBondContact O-CG 3.44Å; S296-E300 PolarHBondContact O-N 2.8Å
297	K	98.4	Very high	97.8	Very high	168 Å²	168	49.3 Å²	49.3	73%	0.73	25%	0.253	S	S	*	.	H	α-helix	trans	-60	-35.7	177.9	-178.4	-179	178	-178.4	0	110.6	K301	K297-K301 VanDerWaalsContact O-CB 3.23Å; K297-K301 WeakPolarHBondContact O-CB 3.46Å; K297-K301 PolarHBondContact O-N 3.26Å
298	E	98.7	Very high	97.7	Very high	42 Å²	42	53.9 Å²	53.9	20%	0.196	28%	0.277	C	S	.	.	H	α-helix	trans	-69.5	-40.6	177.3	-66.3	86.8	168.1	0	0	112.2	R257 V258 S296 Y302	R257-E298 HydrophobicContact CB-CB 4.03Å; R257-E298 HydrophobicContact CB-CG 3.87Å; R257-E298 WeakPolarHBondContact CD-OE1 3.44Å; R257-E298 HydrophobicContact CG-CG 4.47Å; R257-E298 IonicContact CZ-OE1 2.77Å; R257-E298 IonicContact NE-OE1 2.76Å; R257-E298 IonicContact NH1-OE1 3.7Å; R257-E298 PolarHBondContact NH1-OE1 2.86Å; V258-E298 HydrophobicContact CG2-CB 4.07Å; S296-E298 PolarHBondContact O-N 3.28Å; E298-Y302 WeakPolarHBondContact O-CB 3.33Å; E298-Y302 PolarHBondContact O-N 2.91Å
299	D	98.8	Very high	97.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-69.1	-41.2	176.5	-162	-80.6	0	0	0	111.9	V258 F261 R262 S296 Y302 L303 Y343	V258-D299 HydrophobicContact CG1-CB 4.45Å; V258-D299 WeakPolarHBondContact CG1-OD2 3.39Å; F261-D299 HydrophobicContact CD1-CB 3.7Å; F261-D299 HydrophobicContact CE1-CB 4.27Å; R262-D299 WeakPolarHBondContact CG-OD2 3.49Å; R262-D299 IonicContact CZ-OD1 2.72Å; R262-D299 IonicContact CZ-OD2 2.66Å; R262-D299 IonicContact NE-OD1 2.79Å; R262-D299 PolarHBondContact NE-OD1 3.01Å; R262-D299 IonicContact NE-OD2 3.46Å; R262-D299 PolarHBondContact NE-OD2 2.77Å; R262-D299 IonicContact NH2-OD1 3.35Å; R262-D299 PolarHBondContact NH2-OD1 2.91Å; R262-D299 IonicContact NH2-OD2 3.36Å; S296-D299 PolarHBondContact O-N 3.19Å; S296-D299 PolarHBondContact OG-N 2.93Å; D299-Y302 WeakPolarHBondContact O-CB 3.37Å; D299-Y302 PolarHBondContact O-N 2.8Å; D299-Y302 VanDerWaalsContact O-N 3.13Å; D299-L303 WeakPolarHBondContact O-CD1 3.35Å; D299-L303 PolarHBondContact O-N 2.9Å; D299-Y343 PolarHBondContact OD1-OH 2.77Å
300	E	98.7	Very high	97.5	Very high	37 Å²	37	51.2 Å²	51.2	17%	0.173	27%	0.265	C	S	.	.	H	α-helix	trans	-60.7	-47.6	173.7	-70	165.8	-154.7	0	0	111.6	R295 S296 Y302 L303 Q304 Y343	R295-E300 VanDerWaalsContact CB-OE1 3.27Å; R295-E300 WeakPolarHBondContact CB-OE1 3.41Å; R295-E300 WeakPolarHBondContact CG-OE1 3.47Å; R295-E300 IonicContact CZ-OE1 3.74Å; R295-E300 IonicContact CZ-OE2 2.72Å; R295-E300 IonicContact NE-OE1 2.64Å; R295-E300 PolarHBondContact NE-OE1 2.89Å; R295-E300 IonicContact NE-OE2 3.7Å; R295-E300 VanDerWaalsContact NH2-CD 3.32Å; R295-E300 IonicContact NH2-OE1 3.7Å; R295-E300 PolarHBondContact NH2-OE1 2.99Å; R295-E300 IonicContact NH2-OE2 3.7Å; R295-E300 PolarHBondContact NH2-OE2 3.04Å; S296-E300 WeakPolarHBondContact O-CG 3.44Å; S296-E300 PolarHBondContact O-N 2.8Å; E300-Y302 VanDerWaalsContact C-N 3.27Å; E300-Y302 PolarHBondContact O-N 2.85Å; E300-L303 PolarHBondContact O-N 2.93Å; E300-Q304 WeakPolarHBondContact O-CB 3.23Å; E300-Q304 PolarHBondContact O-N 2.77Å; E300-Y343 HydrophobicContact CB-CE1 4.32Å; E300-Y343 HydrophobicContact CG-CD1 4.09Å; E300-Y343 HydrophobicContact CG-CE1 3.7Å; E300-Y343 HydrophobicContact CG-CE2 4.34Å
301	K	98.6	Very high	97.1	Very high	91 Å²	91	55.7 Å²	55.7	40%	0.396	30%	0.301	S	S	.	.	H	α-helix	trans	-61	-36.1	172.5	-178.2	-169	168	-158.9	0	111.6	I250 E254 K297 Q304 A305	I250-K301 HydrophobicContact CD1-CD 4.42Å; I250-K301 HydrophobicContact CD1-CG 4.44Å; E254-K301 IonicContact OE1-NZ 2.9Å; E254-K301 PolarHBondContact OE1-NZ 3.07Å; E254-K301 WeakPolarHBondContact OE2-CD 3.17Å; E254-K301 WeakPolarHBondContact OE2-CE 3.34Å; E254-K301 IonicContact OE2-NZ 3.93Å; E254-K301 PolarHBondContact OE2-NZ 3.03Å; K297-K301 VanDerWaalsContact O-CB 3.23Å; K297-K301 WeakPolarHBondContact O-CB 3.46Å; K297-K301 PolarHBondContact O-N 3.26Å; K301-Q304 WeakPolarHBondContact O-CB 3.48Å; K301-Q304 PolarHBondContact O-N 2.97Å; K301-A305 WeakPolarHBondContact O-CB 3.47Å; K301-A305 PolarHBondContact O-N 2.91Å
302	Y	98.8	Very high	96.7	Very high	1 Å²	1	56 Å²	56	0%	0.004	30%	0.295	C	S	.	.	H	α-helix	trans	-67	-45.3	-179.5	-167.1	-93.6	0	0	0	111.9	V246 P247 I250 L255 V258 P268 E298 D299 E300 Q304 A305 I306	V246-Y302 HydrophobicContact CB-CE2 4.48Å; V246-Y302 WeakPolarHBondContact CB-OH 3.46Å; V246-Y302 VanDerWaalsContact CG1-OH 3.27Å; V246-Y302 WeakPolarHBondContact CG1-OH 3.48Å; P247-Y302 WeakPolarHBondContact CD-OH 3.43Å; P247-Y302 HydrophobicContact CG-CE2 4.39Å; I250-Y302 HydrophobicContact CB-CD2 4.25Å; I250-Y302 HydrophobicContact CB-CE2 4.2Å; I250-Y302 HydrophobicContact CD1-CD2 4.32Å; I250-Y302 HydrophobicContact CG1-CD2 3.8Å; I250-Y302 HydrophobicContact CG1-CE2 4.08Å; I250-Y302 HydrophobicContact CG2-CD2 3.82Å; I250-Y302 HydrophobicContact CG2-CE2 3.9Å; L255-Y302 HydrophobicContact CD2-CD2 4.24Å; L255-Y302 HydrophobicContact CD2-CE2 3.45Å; L255-Y302 VanDerWaalsContact CD2-CE2 3.45Å; V258-Y302 HydrophobicContact CG1-CG 4.4Å; V258-Y302 HydrophobicContact CG2-CD2 4.17Å; V258-Y302 HydrophobicContact CG2-CG 4.17Å; P268-Y302 HydrophobicContact CB-CD1 4.26Å; P268-Y302 HydrophobicContact CB-CE1 3.82Å; P268-Y302 HydrophobicContact CG-CD1 3.93Å; P268-Y302 HydrophobicContact CG-CE1 3.92Å; P268-Y302 WeakPolarHBondContact O-CE1 3.25Å; P268-Y302 VanDerWaalsContact O-CZ 3.27Å; P268-Y302 PolarHBondContact O-OH 2.9Å; E298-Y302 WeakPolarHBondContact O-CB 3.33Å; E298-Y302 PolarHBondContact O-N 2.91Å; D299-Y302 WeakPolarHBondContact O-CB 3.37Å; D299-Y302 PolarHBondContact O-N 2.8Å; D299-Y302 VanDerWaalsContact O-N 3.13Å; E300-Y302 VanDerWaalsContact C-N 3.27Å; E300-Y302 PolarHBondContact O-N 2.85Å; Y302-Q304 VanDerWaalsContact C-N 3.33Å; Y302-A305 PolarHBondContact O-N 3.35Å; Y302-I306 HydrophobicContact CD1-CD1 3.92Å; Y302-I306 HydrophobicContact CD1-CG1 4.48Å; Y302-I306 HydrophobicContact CE1-CD1 3.82Å; Y302-I306 HydrophobicContact CE1-CG1 4.37Å; Y302-I306 WeakPolarHBondContact O-CG1 3.43Å; Y302-I306 PolarHBondContact O-N 2.65Å; Y302-I306 VanDerWaalsContact O-N 3.1Å
303	L	98.6	Very high	96.4	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-66.5	-36.1	174.6	-90	69.2	0	0	0	111.9	P268 D299 E300 I306 M307 I318 E338 Y343 V414	P268-L303 HydrophobicContact CG-CD1 3.92Å; D299-L303 WeakPolarHBondContact O-CD1 3.35Å; D299-L303 PolarHBondContact O-N 2.9Å; E300-L303 PolarHBondContact O-N 2.93Å; L303-I306 PolarHBondContact O-N 3Å; L303-M307 PolarHBondContact O-N 3.46Å; L303-M307 VanDerWaalsContact O-N 3.16Å; L303-I318 HydrophobicContact CD2-CD1 3.61Å; L303-I318 HydrophobicContact CD2-CG1 4.34Å; L303-E338 HydrophobicContact CD2-CG 4.5Å; L303-Y343 HydrophobicContact CB-CD1 4.3Å; L303-Y343 HydrophobicContact CD2-CD1 3.74Å; L303-Y343 HydrophobicContact CD2-CE1 3.93Å; L303-V414 HydrophobicContact CD2-CG2 4.34Å; L303-V414 HydrophobicContact CG-CG2 4.29Å
304	Q	98.3	Very high	96	Very high	64 Å²	64	58.4 Å²	58.4	30%	0.299	29%	0.287	S	S	.	.	H	α-helix	trans	-59.1	-45.6	170.2	-177.4	64.4	41.8	0	0	111.3	E300 K301 Y302 I306 M307 D308 N345	E300-Q304 WeakPolarHBondContact O-CB 3.23Å; E300-Q304 PolarHBondContact O-N 2.77Å; K301-Q304 WeakPolarHBondContact O-CB 3.48Å; K301-Q304 PolarHBondContact O-N 2.97Å; Y302-Q304 VanDerWaalsContact C-N 3.33Å; Q304-I306 VanDerWaalsContact C-N 3.32Å; Q304-I306 PolarHBondContact O-N 3.07Å; Q304-M307 VanDerWaalsContact NE2-CE 3.28Å; Q304-M307 WeakPolarHBondContact O-CA 3.32Å; Q304-M307 WeakPolarHBondContact O-CB 3.48Å; Q304-M307 PolarHBondContact O-N 3.1Å; Q304-D308 PolarHBondContact NE2-OD1 2.89Å; Q304-D308 PolarHBondContact O-N 3.1Å; Q304-N345 PolarHBondContact OE1-ND2 3.01Å
305	A	98.6	Very high	95.9	Very high	2 Å²	2	56.7 Å²	56.7	2%	0.017	28%	0.28	C	S	.	.	H	α-helix	trans	-64.6	-31.4	178.1	0	0	0	0	0	113.7	P247 I250 K301 Y302 M307 S309	P247-A305 HydrophobicContact CB-CB 3.95Å; P247-A305 HydrophobicContact CG-CB 4.17Å; I250-A305 HydrophobicContact CD1-CB 3.94Å; I250-A305 HydrophobicContact CG1-CB 3.99Å; K301-A305 WeakPolarHBondContact O-CB 3.47Å; K301-A305 PolarHBondContact O-N 2.91Å; Y302-A305 PolarHBondContact O-N 3.35Å; A305-M307 VanDerWaalsContact C-N 3.32Å; A305-S309 WeakPolarHBondContact O-CB 3.41Å; A305-S309 PolarHBondContact O-N 3.18Å; A305-S309 VanDerWaalsContact O-N 3.1Å; A305-S309 PolarHBondContact O-OG 3.35Å
306	I	98.6	Very high	95.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.1	-37.1	171.3	-62.6	167.6	0	0	0	110.9	W225 P247 P268 T282 Y302 L303 Q304 I316	W225-I306 HydrophobicContact CH2-CB 4.38Å; W225-I306 HydrophobicContact CH2-CG1 3.97Å; W225-I306 HydrophobicContact CH2-CG2 4Å; W225-I306 HydrophobicContact CZ2-CG2 4.2Å; P247-I306 HydrophobicContact CG-CG1 3.8Å; P268-I306 HydrophobicContact CB-CD1 4.03Å; T282-I306 HydrophobicContact CG2-CD1 4.21Å; T282-I306 HydrophobicContact CG2-CG2 4.04Å; Y302-I306 HydrophobicContact CD1-CD1 3.92Å; Y302-I306 HydrophobicContact CD1-CG1 4.48Å; Y302-I306 HydrophobicContact CE1-CD1 3.82Å; Y302-I306 HydrophobicContact CE1-CG1 4.37Å; Y302-I306 WeakPolarHBondContact O-CG1 3.43Å; Y302-I306 PolarHBondContact O-N 2.65Å; Y302-I306 VanDerWaalsContact O-N 3.1Å; L303-I306 PolarHBondContact O-N 3Å; Q304-I306 VanDerWaalsContact C-N 3.32Å; Q304-I306 PolarHBondContact O-N 3.07Å; I306-I316 HydrophobicContact CB-CD1 3.89Å; I306-I316 HydrophobicContact CG2-CD1 3.55Å
307	M	97.9	Very high	95.9	Very high	16 Å²	16	50.9 Å²	50.9	8%	0.079	26%	0.257	C	S	.	.	H	α-helix	trans	-70.2	-48.8	175.7	-166.5	-174.6	83.6	0	0	111.2	L303 Q304 A305 S309 N310 H314 K315 I316 N345	L303-M307 PolarHBondContact O-N 3.46Å; L303-M307 VanDerWaalsContact O-N 3.16Å; Q304-M307 VanDerWaalsContact NE2-CE 3.28Å; Q304-M307 WeakPolarHBondContact O-CA 3.32Å; Q304-M307 WeakPolarHBondContact O-CB 3.48Å; Q304-M307 PolarHBondContact O-N 3.1Å; A305-M307 VanDerWaalsContact C-N 3.32Å; M307-S309 PolarHBondContact O-N 2.78Å; M307-S309 VanDerWaalsContact O-N 3.11Å; M307-N310 PolarHBondContact O-N 3.12Å; M307-H314 VanDerWaalsContact SD-C 3.54Å; M307-K315 VanDerWaalsContact SD-C 3.59Å; M307-K315 WeakPolarHBondContact SD-CA 3.47Å; M307-I316 HydrophobicContact CB-CB 4.26Å; M307-I316 HydrophobicContact CG-CB 4.29Å; M307-N345 HydrophobicContact CE-CB 4Å; M307-N345 HydrophobicContact SD-CB 3.63Å
308	D	97.4	Very high	95.9	Very high	96 Å²	96	43 Å²	43	51%	0.513	22%	0.223	S	C	.	.	H	α-helix	trans	-60.3	-22.7	178.3	-60.6	-24.3	0	0	0	112.6	Q304 N310	Q304-D308 PolarHBondContact NE2-OD1 2.89Å; Q304-D308 PolarHBondContact O-N 3.1Å; D308-N310 PolarHBondContact O-N 2.74Å
309	S	96.4	Very high	95.9	Very high	14 Å²	14	41.1 Å²	41.1	10%	0.098	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-11	174	-63.9	0	0	0	0	114.1	A305 M307	A305-S309 WeakPolarHBondContact O-CB 3.41Å; A305-S309 PolarHBondContact O-N 3.18Å; A305-S309 VanDerWaalsContact O-N 3.1Å; A305-S309 PolarHBondContact O-OG 3.35Å; M307-S309 PolarHBondContact O-N 2.78Å; M307-S309 VanDerWaalsContact O-N 3.11Å
310	N	94.9	Very high	95.9	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.027	21%	0.214	C	C	.	.			trans	-120.4	105.6	178	173.7	-2.3	0	0	0	110.2	S277 A279 M307 D308 Q312 K410 S412	S277-N310 PolarHBondContact O-OD1 3.46Å; A279-N310 WeakPolarHBondContact CA-ND2 3.43Å; M307-N310 PolarHBondContact O-N 3.12Å; D308-N310 PolarHBondContact O-N 2.74Å; N310-Q312 PolarHBondContact O-N 3.5Å; N310-Q312 VanDerWaalsContact O-N 3.14Å; N310-Q312 WeakPolarHBondContact OD1-CB 3.43Å; N310-Q312 PolarHBondContact OD1-N 2.83Å; N310-K410 PolarHBondContact ND2-O 2.93Å; N310-S412 WeakPolarHBondContact CB-OG 3.21Å; N310-S412 PolarHBondContact ND2-N 3.28Å; N310-S412 PolarHBondContact ND2-OG 2.88Å
311	A	88.6	Confident	95.9	Very high	102 Å²	102	39.3 Å²	39.3	84%	0.843	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-8.9	-177.8	0	0	0	0	0	115
312	Q	86.4	Confident	96	Very high	118 Å²	118	35 Å²	35	55%	0.551	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-7.2	-173.8	-58.1	-163.8	-15.7	0	0	114.5	N310 K410	N310-Q312 PolarHBondContact O-N 3.5Å; N310-Q312 VanDerWaalsContact O-N 3.14Å; N310-Q312 WeakPolarHBondContact OD1-CB 3.43Å; N310-Q312 PolarHBondContact OD1-N 2.83Å; Q312-K410 HydrophobicContact CB-CB 4.34Å
313	S	87.1	Confident	95.9	Very high	22 Å²	22	35.3 Å²	35.3	15%	0.154	19%	0.189	C	C	.	.			trans	-141.2	138.5	-177.6	-165.2	0	0	0	0	113.7	K315 T411	S313-K315 PolarHBondContact OG-O 2.9Å; S313-T411 WeakPolarHBondContact CB-OG1 3.34Å; S313-T411 PolarHBondContact OG-OG1 3.16Å
314	H	88.4	Confident	95.9	Very high	164 Å²	164	37.6 Å²	37.6	76%	0.759	21%	0.205	S	C	*	.	S	Bend	trans	-96.3	11.3	176.6	-57.4	-52.9	0	0	0	113.3	M307	M307-H314 VanDerWaalsContact SD-C 3.54Å
315	K	94.4	Very high	95.9	Very high	100 Å²	100	39.7 Å²	39.7	44%	0.435	22%	0.222	S	C	.	.			trans	-139.2	158.8	173.2	-74.4	-166.8	175.2	-167.5	0	110.8	M307 S313 N345 E347 T411	M307-K315 VanDerWaalsContact SD-C 3.59Å; M307-K315 WeakPolarHBondContact SD-CA 3.47Å; S313-K315 PolarHBondContact OG-O 2.9Å; K315-N345 CarbonylContact C-O 3.59Å; K315-N345 VanDerWaalsContact CA-O 3.25Å; K315-N345 WeakPolarHBondContact CA-O 3.36Å; K315-E347 IonicContact NZ-OE2 2.73Å; K315-T411 WeakPolarHBondContact O-CG2 3.35Å
316	I	97.5	Very high	95.9	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	145.9	169.4	-164.3	172.4	0	0	0	109.8	I306 M307 N345 A346 E347 S412 V414	I306-I316 HydrophobicContact CB-CD1 3.89Å; I306-I316 HydrophobicContact CG2-CD1 3.55Å; M307-I316 HydrophobicContact CB-CB 4.26Å; M307-I316 HydrophobicContact CG-CB 4.29Å; I316-N345 PolarHBondContact N-O 2.87Å; I316-A346 HydrophobicContact CG2-CB 3.65Å; I316-A346 CarbonylContact O-C 3.51Å; I316-A346 VanDerWaalsContact O-CA 3.26Å; I316-A346 WeakPolarHBondContact O-CA 3.15Å; I316-E347 PolarHBondContact O-N 3.22Å; I316-S412 VanDerWaalsContact CG1-O 3.31Å; I316-S412 WeakPolarHBondContact CG1-O 3.35Å; I316-V414 HydrophobicContact CD1-CG2 3.58Å; I316-V414 HydrophobicContact CG1-CG2 4.19Å
317	F	98.7	Very high	95.9	Very high	19 Å²	19	41.6 Å²	41.6	8%	0.083	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.9	175.6	-87.6	-108.3	0	0	0	111	F319 E347 V349 K405 T411 S412 V413 V414	F317-F319 HydrophobicContact CB-CD2 4.32Å; F317-F319 HydrophobicContact CB-CE2 3.77Å; F317-F319 HydrophobicContact CB-CZ 4.35Å; F317-F319 HydrophobicContact CD1-CE2 4.49Å; F317-F319 HydrophobicContact CD1-CZ 4.23Å; F317-E347 WeakPolarHBondContact CA-O 3.47Å; F317-E347 HydrophobicContact CD1-CB 4.16Å; F317-E347 HydrophobicContact CD1-CG 4.41Å; F317-E347 HydrophobicContact CD2-CB 4.44Å; F317-E347 HydrophobicContact CE1-CB 3.94Å; F317-E347 VanDerWaalsContact CE1-CD 3.43Å; F317-E347 HydrophobicContact CE1-CG 3.86Å; F317-E347 WeakPolarHBondContact CE1-OE1 3.43Å; F317-E347 HydrophobicContact CE2-CB 4.25Å; F317-E347 HydrophobicContact CG-CB 4.4Å; F317-E347 HydrophobicContact CZ-CB 3.98Å; F317-E347 HydrophobicContact CZ-CG 4.08Å; F317-E347 WeakPolarHBondContact CZ-OE1 3.44Å; F317-E347 WeakPolarHBondContact CZ-OE2 3.26Å; F317-V349 HydrophobicContact CD1-CG2 4.16Å; F317-V349 HydrophobicContact CE1-CG2 4.41Å; F317-K405 HydrophobicContact CB-CG 4.03Å; F317-K405 HydrophobicContact CD1-CD 4.32Å; F317-K405 HydrophobicContact CD1-CG 4.41Å; F317-K405 HydrophobicContact CD2-CD 3.6Å; F317-K405 HydrophobicContact CD2-CG 3.96Å; F317-K405 HydrophobicContact CE1-CD 4.46Å; F317-K405 HydrophobicContact CE2-CD 3.76Å; F317-K405 HydrophobicContact CG-CD 3.9Å; F317-K405 HydrophobicContact CG-CG 3.86Å; F317-K405 HydrophobicContact CZ-CD 4.21Å; F317-T411 HydrophobicContact CD2-CG2 3.77Å; F317-T411 HydrophobicContact CE2-CG2 4.43Å; F317-S412 PolarHBondContact N-O 2.97Å; F317-S412 VanDerWaalsContact N-O 3.13Å; F317-V413 HydrophobicContact CB-CG1 4.18Å; F317-V413 CarbonylContact O-C 3.48Å; F317-V413 VanDerWaalsContact O-CA 3.26Å; F317-V413 WeakPolarHBondContact O-CA 3.5Å; F317-V414 PolarHBondContact O-N 3.36Å
318	I	98.9	Very high	95.9	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	112.1	175.9	-53.9	177.8	0	0	0	108.5	L303 E338 A346 E347 L348 V349 V414 H416	L303-I318 HydrophobicContact CD2-CD1 3.61Å; L303-I318 HydrophobicContact CD2-CG1 4.34Å; I318-E338 HydrophobicContact CD1-CB 3.61Å; I318-E338 HydrophobicContact CD1-CG 3.69Å; I318-A346 HydrophobicContact CD1-CB 3.67Å; I318-A346 HydrophobicContact CG1-CB 4.07Å; I318-E347 PolarHBondContact N-O 3.19Å; I318-L348 HydrophobicContact CB-CB 4.37Å; I318-L348 HydrophobicContact CB-CD1 4.2Å; I318-L348 HydrophobicContact CB-CG 4.37Å; I318-L348 HydrophobicContact CG2-CD1 3.88Å; I318-L348 HydrophobicContact CG2-CG 4.43Å; I318-L348 CarbonylContact O-C 3.52Å; I318-L348 WeakPolarHBondContact O-CA 3.2Å; I318-V349 PolarHBondContact O-N 2.92Å; I318-V414 CarbonylContact C-O 3.49Å; I318-V414 WeakPolarHBondContact CA-O 3.32Å; I318-V414 HydrophobicContact CG1-CB 4.26Å; I318-V414 HydrophobicContact CG1-CG2 4.44Å; I318-V414 HydrophobicContact CG2-CB 4.42Å; I318-H416 WeakPolarHBondContact CG2-NE2 3.49Å
319	F	98.9	Very high	95.9	Very high	3 Å²	3	41.9 Å²	41.9	1%	0.013	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	100.6	177	-70.2	-80	0	0	0	110.1	F317 V349 L351 R401 I402 K405 V413 V414 H416	F317-F319 HydrophobicContact CB-CD2 4.32Å; F317-F319 HydrophobicContact CB-CE2 3.77Å; F317-F319 HydrophobicContact CB-CZ 4.35Å; F317-F319 HydrophobicContact CD1-CE2 4.49Å; F317-F319 HydrophobicContact CD1-CZ 4.23Å; F319-V349 HydrophobicContact CD1-CB 3.82Å; F319-V349 HydrophobicContact CD1-CG1 3.8Å; F319-V349 HydrophobicContact CE1-CB 4Å; F319-V349 HydrophobicContact CE1-CG1 3.87Å; F319-V349 HydrophobicContact CE1-CG2 4.29Å; F319-L351 HydrophobicContact CB-CD1 4.06Å; F319-L351 HydrophobicContact CD1-CD1 4.21Å; F319-L351 HydrophobicContact CD1-CD2 3.92Å; F319-L351 HydrophobicContact CD1-CG 4.26Å; F319-L351 HydrophobicContact CE1-CD2 4.45Å; F319-R401 HydrophobicContact CE1-CB 3.89Å; F319-R401 HydrophobicContact CZ-CB 4.29Å; F319-R401 WeakPolarHBondContact CZ-O 3.1Å; F319-I402 HydrophobicContact CB-CD1 4.27Å; F319-I402 HydrophobicContact CB-CG1 4.13Å; F319-I402 HydrophobicContact CD1-CG1 4.22Å; F319-I402 HydrophobicContact CD2-CG1 3.66Å; F319-I402 HydrophobicContact CE2-CG1 4.04Å; F319-I402 HydrophobicContact CG-CD1 4.41Å; F319-I402 HydrophobicContact CG-CG1 3.74Å; F319-I402 HydrophobicContact CZ-CG1 4.47Å; F319-K405 HydrophobicContact CE2-CB 4.23Å; F319-K405 HydrophobicContact CE2-CG 4.34Å; F319-K405 HydrophobicContact CZ-CB 4.23Å; F319-V413 HydrophobicContact CD2-CB 4.13Å; F319-V413 HydrophobicContact CD2-CG1 4.23Å; F319-V413 HydrophobicContact CE2-CB 4.19Å; F319-V413 HydrophobicContact CE2-CG1 3.77Å; F319-V414 PolarHBondContact N-O 3.19Å; F319-H416 PolarHBondContact O-N 2.85Å
320	D	98.9	Very high	96	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	116.5	167.7	-171.9	-17.6	0	0	0	108.9	R322 V349 F350 L351 H416	D320-R322 VanDerWaalsContact CG-NE 3.34Å; D320-R322 PolarHBondContact O-N 3.26Å; D320-R322 VanDerWaalsContact OD1-CB 3.26Å; D320-R322 WeakPolarHBondContact OD1-CB 3.38Å; D320-R322 WeakPolarHBondContact OD1-CG 2.92Å; D320-R322 IonicContact OD1-CZ 3.63Å; D320-R322 PolarHBondContact OD1-N 3.04Å; D320-R322 IonicContact OD1-NE 3.89Å; D320-R322 PolarHBondContact OD1-NE 2.93Å; D320-R322 IonicContact OD1-NH2 3.48Å; D320-R322 IonicContact OD2-CZ 3.43Å; D320-R322 IonicContact OD2-NE 2.64Å; D320-R322 PolarHBondContact OD2-NE 2.96Å; D320-R322 IonicContact OD2-NH2 2.71Å; D320-R322 PolarHBondContact OD2-NH2 3.01Å; D320-V349 PolarHBondContact N-O 3.01Å; D320-F350 HydrophobicContact CB-CD1 3.79Å; D320-F350 HydrophobicContact CB-CE1 3.92Å; D320-F350 WeakPolarHBondContact O-CA 3.4Å; D320-F350 WeakPolarHBondContact OD2-CE1 3.29Å; D320-L351 PolarHBondContact O-N 3.23Å; D320-H416 VanDerWaalsContact CG-CE1 3.49Å; D320-H416 IonicContact OD2-CE1 2.77Å; D320-H416 PolarHBondContact OD2-CE1 2.9Å
321	A	98.8	Very high	96.1	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.26	C	S	.	.			trans	-59.7	-19.8	179.7	0	0	0	0	0	113.9	I353 H416 C417 R423 L427	A321-I353 HydrophobicContact CB-CD1 4.48Å; A321-I353 WeakPolarHBondContact O-CA 3.43Å; A321-I353 WeakPolarHBondContact O-CB 3.47Å; A321-I353 PolarHBondContact O-N 3.29Å; A321-H416 WeakPolarHBondContact CB-O 3.38Å; A321-H416 PolarHBondContact N-O 2.9Å; A321-C417 HydrophobicContact CB-CB 3.79Å; A321-R423 HydrophobicContact CB-CB 3.53Å; A321-R423 HydrophobicContact CB-CG 4.36Å; A321-L427 HydrophobicContact CB-CD1 3.53Å
322	R	98.8	Very high	96.5	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	25%	0.248	C	C	.	.	S	Bend	trans	-78.8	157	-171.1	-62.5	175.2	-68.4	-172.9	7.7	112.2	D320 N326 N330 G336 F350 D352 C417 S418	D320-R322 VanDerWaalsContact CG-NE 3.34Å; D320-R322 PolarHBondContact O-N 3.26Å; D320-R322 VanDerWaalsContact OD1-CB 3.26Å; D320-R322 WeakPolarHBondContact OD1-CB 3.38Å; D320-R322 WeakPolarHBondContact OD1-CG 2.92Å; D320-R322 IonicContact OD1-CZ 3.63Å; D320-R322 PolarHBondContact OD1-N 3.04Å; D320-R322 IonicContact OD1-NE 3.89Å; D320-R322 PolarHBondContact OD1-NE 2.93Å; D320-R322 IonicContact OD1-NH2 3.48Å; D320-R322 IonicContact OD2-CZ 3.43Å; D320-R322 IonicContact OD2-NE 2.64Å; D320-R322 PolarHBondContact OD2-NE 2.96Å; D320-R322 IonicContact OD2-NH2 2.71Å; D320-R322 PolarHBondContact OD2-NH2 3.01Å; R322-N326 HydrophobicContact CB-CB 4.29Å; R322-N330 VanDerWaalsContact NH1-CG 3.31Å; R322-G336 PolarHBondContact NH2-O 2.66Å; R322-F350 WeakPolarHBondContact O-CB 3.35Å; R322-F350 WeakPolarHBondContact O-CD1 3.45Å; R322-D352 PolarHBondContact O-N 3.07Å; R322-C417 HydrophobicContact CG-CB 4.33Å; R322-S418 WeakPolarHBondContact CD-OG 3.28Å; R322-S418 PolarHBondContact NH1-OG 3.09Å; R322-S418 VanDerWaalsContact NH1-OG 3.16Å
323	P	98.6	Very high	97	Very high	7 Å²	7	47.5 Å²	47.5	5%	0.045	26%	0.259	C	S	.	.			trans	-59.9	143.7	154.1	-18.9	28	0	0	0	111.6	V325 N326 A327 D352 I353	P323-V325 VanDerWaalsContact C-N 3.28Å; P323-V325 HydrophobicContact CB-CG2 4.09Å; P323-V325 PolarHBondContact O-N 3.02Å; P323-N326 HydrophobicContact CB-CB 4.49Å; P323-N326 WeakPolarHBondContact O-CA 3.12Å; P323-N326 WeakPolarHBondContact O-CB 3.24Å; P323-N326 PolarHBondContact O-N 3.04Å; P323-A327 PolarHBondContact O-N 2.98Å; P323-A327 VanDerWaalsContact O-N 3.1Å; P323-D352 WeakPolarHBondContact CA-OD1 3.4Å; P323-D352 WeakPolarHBondContact CB-OD1 3.42Å; P323-D352 HydrophobicContact CG-CB 4.42Å; P323-I353 WeakPolarHBondContact CD-O 3.34Å
324	S	98.2	Very high	97.4	Very high	51 Å²	51	47.7 Å²	47.7	36%	0.357	27%	0.265	S	S	.	.	H	α-helix	trans	-50.9	-46	179.5	175.3	0	0	0	0	112.4	N326 A327 V328	S324-N326 PolarHBondContact O-N 2.66Å; S324-A327 WeakPolarHBondContact O-CB 3.38Å; S324-A327 PolarHBondContact O-N 3.17Å; S324-V328 WeakPolarHBondContact O-CG2 3.26Å; S324-V328 PolarHBondContact O-N 2.86Å
325	V	98.1	Very high	97.9	Very high	109 Å²	109	40 Å²	40	66%	0.661	23%	0.23	S	C	*	.	H	α-helix	trans	-56.9	-34.3	176.6	-63.5	0	0	0	0	113.3	P323 A329	P323-V325 VanDerWaalsContact C-N 3.28Å; P323-V325 HydrophobicContact CB-CG2 4.09Å; P323-V325 PolarHBondContact O-N 3.02Å; V325-A329 WeakPolarHBondContact O-CB 3.43Å; V325-A329 PolarHBondContact O-N 3.07Å
326	N	98.3	Very high	98	Very high	42 Å²	42	35.3 Å²	35.3	23%	0.225	21%	0.21	C	C	.	.	H	α-helix	trans	-77.3	-33.2	177.8	-72.4	-20.5	0	0	0	111.6	R322 P323 S324 N330	R322-N326 HydrophobicContact CB-CB 4.29Å; P323-N326 HydrophobicContact CB-CB 4.49Å; P323-N326 WeakPolarHBondContact O-CA 3.12Å; P323-N326 WeakPolarHBondContact O-CB 3.24Å; P323-N326 PolarHBondContact O-N 3.04Å; S324-N326 PolarHBondContact O-N 2.66Å; N326-N330 PolarHBondContact O-N 3.26Å; N326-N330 PolarHBondContact O-ND2 3.34Å
327	A	97.8	Very high	98.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-68	-43.1	172.9	0	0	0	0	0	111.5	P323 S324 A329 N330 K331 Y337 F350	P323-A327 PolarHBondContact O-N 2.98Å; P323-A327 VanDerWaalsContact O-N 3.1Å; S324-A327 WeakPolarHBondContact O-CB 3.38Å; S324-A327 PolarHBondContact O-N 3.17Å; A327-A329 PolarHBondContact O-N 2.98Å; A327-N330 WeakPolarHBondContact O-CB 3.43Å; A327-N330 PolarHBondContact O-N 3.22Å; A327-N330 VanDerWaalsContact O-N 3.12Å; A327-K331 PolarHBondContact O-N 3.09Å; A327-Y337 HydrophobicContact CB-CD1 3.86Å; A327-F350 HydrophobicContact CB-CD1 4.23Å; A327-F350 HydrophobicContact CB-CE1 3.35Å; A327-F350 HydrophobicContact CB-CZ 3.9Å
328	V	98	Very high	98.1	Very high	71 Å²	71	37.4 Å²	37.4	43%	0.43	22%	0.218	S	C	.	.	H	α-helix	trans	-60.5	-44	172.1	175.3	0	0	0	0	111.3	S324 N330 K331 A332 Y337	S324-V328 WeakPolarHBondContact O-CG2 3.26Å; S324-V328 PolarHBondContact O-N 2.86Å; V328-N330 VanDerWaalsContact C-N 3.25Å; V328-N330 PolarHBondContact O-N 3.01Å; V328-K331 WeakPolarHBondContact O-CB 3.48Å; V328-K331 PolarHBondContact O-N 3.1Å; V328-A332 PolarHBondContact O-N 3.49Å; V328-A332 VanDerWaalsContact O-N 3.07Å; V328-Y337 HydrophobicContact CG2-CE1 4.12Å
329	A	97.8	Very high	98	Very high	47 Å²	47	39.6 Å²	39.6	39%	0.388	23%	0.233	S	C	.	.	H	α-helix	trans	-63.8	-27.8	175	0	0	0	0	0	113.4	V325 A327	V325-A329 WeakPolarHBondContact O-CB 3.43Å; V325-A329 PolarHBondContact O-N 3.07Å; A327-A329 PolarHBondContact O-N 2.98Å
330	N	97.9	Very high	97.7	Very high	37 Å²	37	47.1 Å²	47.1	20%	0.198	27%	0.268	C	S	.	.	H	α-helix	trans	-75.9	-35.7	170.6	-83.7	-107.2	0	0	0	112	Q286 R322 N326 A327 V328 A332 K333 G334 G335 S418	Q286-N330 PolarHBondContact NE2-OD1 3.23Å; Q286-N330 VanDerWaalsContact OE1-CB 3.24Å; Q286-N330 PolarHBondContact OE1-OD1 2.9Å; R322-N330 VanDerWaalsContact NH1-CG 3.31Å; N326-N330 PolarHBondContact O-N 3.26Å; N326-N330 PolarHBondContact O-ND2 3.34Å; A327-N330 WeakPolarHBondContact O-CB 3.43Å; A327-N330 PolarHBondContact O-N 3.22Å; A327-N330 VanDerWaalsContact O-N 3.12Å; V328-N330 VanDerWaalsContact C-N 3.25Å; V328-N330 PolarHBondContact O-N 3.01Å; N330-A332 VanDerWaalsContact C-N 3.28Å; N330-A332 PolarHBondContact O-N 3.5Å; N330-K333 CarbonylContact O-C 3.59Å; N330-K333 WeakPolarHBondContact O-CA 3.4Å; N330-K333 PolarHBondContact O-N 3.32Å; N330-G334 PolarHBondContact O-N 3.41Å; N330-G335 WeakPolarHBondContact O-CA 3.19Å; N330-G335 PolarHBondContact O-N 2.89Å; N330-S418 VanDerWaalsContact CG-OG 3.31Å; N330-S418 PolarHBondContact ND2-OG 3.34Å; N330-S418 PolarHBondContact OD1-OG 3.4Å
331	K	97.6	Very high	97.4	Very high	67 Å²	67	53.3 Å²	53.3	29%	0.291	30%	0.301	S	S	.	.	H	α-helix	trans	-56.8	-42.6	172.4	-167.3	-177.1	179.1	-175.6	0	111.4	G290 V291 A327 V328 K333 G334 G335	G290-K331 CarbonylContact C-O 3.56Å; G290-K331 VanDerWaalsContact C-O 3.3Å; G290-K331 VanDerWaalsContact CA-O 3.3Å; G290-K331 WeakPolarHBondContact CA-O 3.48Å; G290-K331 VanDerWaalsContact O-CE 3.23Å; G290-K331 WeakPolarHBondContact O-CE 3.39Å; G290-K331 VanDerWaalsContact O-CG 3.28Å; G290-K331 WeakPolarHBondContact O-CG 3.44Å; V291-K331 PolarHBondContact N-O 3.01Å; A327-K331 PolarHBondContact O-N 3.09Å; V328-K331 WeakPolarHBondContact O-CB 3.48Å; V328-K331 PolarHBondContact O-N 3.1Å; K331-K333 PolarHBondContact O-N 3.26Å; K331-G334 PolarHBondContact O-N 3.45Å; K331-G335 WeakPolarHBondContact CA-O 3.3Å
332	A	97.1	Very high	97.3	Very high	71 Å²	71	53.7 Å²	53.7	59%	0.587	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-25	173.3	0	0	0	0	0	113.9	V328 N330	V328-A332 PolarHBondContact O-N 3.49Å; V328-A332 VanDerWaalsContact O-N 3.07Å; N330-A332 VanDerWaalsContact C-N 3.28Å; N330-A332 PolarHBondContact O-N 3.5Å
333	K	96.6	Very high	97.2	Very high	181 Å²	181	54.3 Å²	54.3	79%	0.787	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	11.7	179.9	-66.2	179.7	177.8	-176.7	0	114	N330 K331	N330-K333 CarbonylContact O-C 3.59Å; N330-K333 WeakPolarHBondContact O-CA 3.4Å; N330-K333 PolarHBondContact O-N 3.32Å; K331-K333 PolarHBondContact O-N 3.26Å
334	G	96.4	Very high	97.1	Very high	26 Å²	26	61.3 Å²	61.3	27%	0.268	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.5	-10.8	178.7	0	0	0	0	0	115.5	M288 G290 N330 K331	M288-G334 CarbonylContact C-O 3.58Å; M288-G334 VanDerWaalsContact C-O 3.31Å; M288-G334 VanDerWaalsContact CA-O 3.32Å; M288-G334 WeakPolarHBondContact CA-O 3.46Å; M288-G334 WeakPolarHBondContact CE-O 3.34Å; G290-G334 PolarHBondContact N-O 3.44Å; N330-G334 PolarHBondContact O-N 3.41Å; K331-G334 PolarHBondContact O-N 3.45Å
335	G	98	Very high	97	Very high	4 Å²	4	62 Å²	62	4%	0.041	34%	0.339	C	S	.	.			trans	-81.5	-141.6	168.8	0	0	0	0	0	111.4	P287 V289 G290 N330 K331	P287-G335 CarbonylContact O-C 3.31Å; P287-G335 WeakPolarHBondContact O-CA 3.44Å; V289-G335 PolarHBondContact N-O 2.93Å; G290-G335 PolarHBondContact N-O 3.21Å; N330-G335 WeakPolarHBondContact O-CA 3.19Å; N330-G335 PolarHBondContact O-N 2.89Å; K331-G335 WeakPolarHBondContact CA-O 3.3Å
336	G	98	Very high	97	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.313	C	S	.	.			trans	146.2	-152.3	175.2	0	0	0	0	0	112.8	Q286 P287 R322	Q286-G336 VanDerWaalsContact OE1-N 3.07Å; Q286-G336 PolarHBondContact OE1-O 3.36Å; P287-G336 PolarHBondContact O-N 3.06Å; P287-G336 VanDerWaalsContact O-N 3.17Å; R322-G336 PolarHBondContact NH2-O 2.66Å
337	Y	98.7	Very high	97	Very high	63 Å²	63	59.5 Å²	59.5	25%	0.247	32%	0.321	C	S	.	.			trans	-151.7	161.2	178.6	61.2	-88.6	0	0	0	108.8	A327 V328 S339 L348 F350	A327-Y337 HydrophobicContact CB-CD1 3.86Å; V328-Y337 HydrophobicContact CG2-CE1 4.12Å; Y337-S339 PolarHBondContact O-N 3.02Å; Y337-L348 HydrophobicContact CD2-CD1 4.22Å; Y337-L348 HydrophobicContact CD2-CD2 4.13Å; Y337-F350 HydrophobicContact CD1-CZ 4.12Å; Y337-F350 HydrophobicContact CD2-CZ 4.04Å; Y337-F350 HydrophobicContact CE1-CZ 4.37Å; Y337-F350 HydrophobicContact CE2-CZ 4.29Å; Y337-F350 HydrophobicContact CG-CE1 4.47Å; Y337-F350 AromaticContact CG-CZ 3.95Å; Y337-F350 HydrophobicContact CG-CZ 3.95Å
338	E	98.6	Very high	97.1	Very high	5 Å²	5	61.4 Å²	61.4	2%	0.023	33%	0.331	C	S	.	.			trans	-69.6	118.4	-177.9	-69.2	88.3	148.7	0	0	110.7	R262 P287 L303 I318 Y343 L348 H416	R262-E338 IonicContact CZ-OE1 3.76Å; R262-E338 IonicContact NH1-OE1 2.76Å; R262-E338 PolarHBondContact NH1-OE1 2.8Å; R262-E338 IonicContact NH2-OE1 3.87Å; R262-E338 PolarHBondContact NH2-OE1 3.21Å; P287-E338 VanDerWaalsContact CD-OE2 3.3Å; P287-E338 WeakPolarHBondContact CD-OE2 3.46Å; P287-E338 HydrophobicContact CG-CG 4.23Å; P287-E338 WeakPolarHBondContact CG-OE2 3.33Å; L303-E338 HydrophobicContact CD2-CG 4.5Å; I318-E338 HydrophobicContact CD1-CB 3.61Å; I318-E338 HydrophobicContact CD1-CG 3.69Å; E338-Y343 HydrophobicContact CB-CD2 3.47Å; E338-Y343 VanDerWaalsContact CB-CD2 3.47Å; E338-Y343 HydrophobicContact CB-CE2 3.72Å; E338-Y343 HydrophobicContact CB-CG 3.97Å; E338-Y343 HydrophobicContact CG-CD1 4.26Å; E338-Y343 HydrophobicContact CG-CD2 3.78Å; E338-Y343 HydrophobicContact CG-CE1 4.06Å; E338-Y343 HydrophobicContact CG-CE2 3.59Å; E338-Y343 HydrophobicContact CG-CG 4.14Å; E338-L348 HydrophobicContact CB-CD1 3.97Å; E338-H416 IonicContact OE2-CE1 3.49Å; E338-H416 IonicContact OE2-NE2 3.57Å; E338-H416 PolarHBondContact OE2-NE2 3.28Å
339	S	96.8	Very high	97.1	Very high	47 Å²	47	58.7 Å²	58.7	33%	0.329	31%	0.314	S	S	.	.			trans	-90.8	145.4	178.8	54.4	0	0	0	0	112.1	Y337 D341 A342 Y343	Y337-S339 PolarHBondContact O-N 3.02Å; S339-D341 VanDerWaalsContact C-N 3.31Å; S339-D341 PolarHBondContact O-N 3.19Å; S339-A342 WeakPolarHBondContact O-CA 3.46Å; S339-A342 WeakPolarHBondContact O-CB 3.48Å; S339-A342 PolarHBondContact O-N 2.77Å; S339-A342 WeakPolarHBondContact OG-CB 3.31Å; S339-Y343 PolarHBondContact O-N 3.48Å
340	E	92.4	Very high	97.1	Very high	160 Å²	160	58.5 Å²	58.5	75%	0.748	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-43	-179.8	-61.6	174.7	-176.8	0	0	112.9	A342 Y343 Q344	E340-A342 PolarHBondContact O-N 3.41Å; E340-A342 VanDerWaalsContact O-N 3.15Å; E340-Y343 CarbonylContact O-C 3.52Å; E340-Y343 PolarHBondContact O-N 2.89Å; E340-Q344 WeakPolarHBondContact O-CA 3.31Å; E340-Q344 PolarHBondContact O-N 3.3Å
341	D	93.4	Very high	97.2	Very high	130 Å²	130	57.2 Å²	57.2	70%	0.695	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.1	176.5	-61.4	-43.5	0	0	0	114.7	R295 S339	R295-D341 PolarHBondContact NH1-O 2.87Å; S339-D341 VanDerWaalsContact C-N 3.31Å; S339-D341 PolarHBondContact O-N 3.19Å
342	A	96.3	Very high	97.2	Very high	8 Å²	8	57.7 Å²	57.7	7%	0.066	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-39.6	-177.3	0	0	0	0	0	112.3	R295 S339 E340	R295-A342 HydrophobicContact CG-CB 4.03Å; R295-A342 VanDerWaalsContact CZ-CA 3.5Å; S339-A342 WeakPolarHBondContact O-CA 3.46Å; S339-A342 WeakPolarHBondContact O-CB 3.48Å; S339-A342 PolarHBondContact O-N 2.77Å; S339-A342 WeakPolarHBondContact OG-CB 3.31Å; E340-A342 PolarHBondContact O-N 3.41Å; E340-A342 VanDerWaalsContact O-N 3.15Å
343	Y	97.8	Very high	97.3	Very high	15 Å²	15	54.3 Å²	54.3	6%	0.059	28%	0.276	C	S	.	.	S	Bend	trans	-117.5	68.8	-178	-56.8	-96.4	0	0	0	108.9	F261 D299 E300 L303 E338 S339 E340 N345 A346	F261-Y343 WeakPolarHBondContact CE1-OH 3.28Å; D299-Y343 PolarHBondContact OD1-OH 2.77Å; E300-Y343 HydrophobicContact CB-CE1 4.32Å; E300-Y343 HydrophobicContact CG-CD1 4.09Å; E300-Y343 HydrophobicContact CG-CE1 3.7Å; E300-Y343 HydrophobicContact CG-CE2 4.34Å; L303-Y343 HydrophobicContact CB-CD1 4.3Å; L303-Y343 HydrophobicContact CD2-CD1 3.74Å; L303-Y343 HydrophobicContact CD2-CE1 3.93Å; E338-Y343 HydrophobicContact CB-CD2 3.47Å; E338-Y343 VanDerWaalsContact CB-CD2 3.47Å; E338-Y343 HydrophobicContact CB-CE2 3.72Å; E338-Y343 HydrophobicContact CB-CG 3.97Å; E338-Y343 HydrophobicContact CG-CD1 4.26Å; E338-Y343 HydrophobicContact CG-CD2 3.78Å; E338-Y343 HydrophobicContact CG-CE1 4.06Å; E338-Y343 HydrophobicContact CG-CE2 3.59Å; E338-Y343 HydrophobicContact CG-CG 4.14Å; S339-Y343 PolarHBondContact O-N 3.48Å; E340-Y343 CarbonylContact O-C 3.52Å; E340-Y343 PolarHBondContact O-N 2.89Å; Y343-N345 PolarHBondContact O-N 3.42Å; Y343-N345 VanDerWaalsContact O-N 3.11Å; Y343-A346 WeakPolarHBondContact O-CA 3.41Å; Y343-A346 WeakPolarHBondContact O-CB 3.17Å; Y343-A346 PolarHBondContact O-N 2.95Å
344	Q	95.1	Very high	97.4	Very high	154 Å²	154	49 Å²	49	72%	0.72	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-29.4	-167.9	-64.2	176.5	-5	0	0	114.3	E340	E340-Q344 WeakPolarHBondContact O-CA 3.31Å; E340-Q344 PolarHBondContact O-N 3.3Å
345	N	97.1	Very high	97.5	Very high	66 Å²	66	50.2 Å²	50.2	35%	0.353	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	8.1	177.7	-59.8	-37.3	0	0	0	113.1	Q304 M307 K315 I316 Y343	Q304-N345 PolarHBondContact OE1-ND2 3.01Å; M307-N345 HydrophobicContact CE-CB 4Å; M307-N345 HydrophobicContact SD-CB 3.63Å; K315-N345 CarbonylContact C-O 3.59Å; K315-N345 VanDerWaalsContact CA-O 3.25Å; K315-N345 WeakPolarHBondContact CA-O 3.36Å; I316-N345 PolarHBondContact N-O 2.87Å; Y343-N345 PolarHBondContact O-N 3.42Å; Y343-N345 VanDerWaalsContact O-N 3.11Å
346	A	97.9	Very high	97.6	Very high	15 Å²	15	51 Å²	51	12%	0.124	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	138.4	-179.1	0	0	0	0	0	112.5	I316 I318 Y343	I316-A346 HydrophobicContact CG2-CB 3.65Å; I316-A346 CarbonylContact O-C 3.51Å; I316-A346 VanDerWaalsContact O-CA 3.26Å; I316-A346 WeakPolarHBondContact O-CA 3.15Å; I318-A346 HydrophobicContact CD1-CB 3.67Å; I318-A346 HydrophobicContact CG1-CB 4.07Å; Y343-A346 WeakPolarHBondContact O-CA 3.41Å; Y343-A346 WeakPolarHBondContact O-CB 3.17Å; Y343-A346 PolarHBondContact O-N 2.95Å
347	E	98.3	Very high	97.6	Very high	83 Å²	83	55.2 Å²	55.2	39%	0.388	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	113.8	172.5	-168.5	172.4	134.7	0	0	109.5	K315 I316 F317 I318	K315-E347 IonicContact NZ-OE2 2.73Å; I316-E347 PolarHBondContact O-N 3.22Å; F317-E347 WeakPolarHBondContact CA-O 3.47Å; F317-E347 HydrophobicContact CD1-CB 4.16Å; F317-E347 HydrophobicContact CD1-CG 4.41Å; F317-E347 HydrophobicContact CD2-CB 4.44Å; F317-E347 HydrophobicContact CE1-CB 3.94Å; F317-E347 VanDerWaalsContact CE1-CD 3.43Å; F317-E347 HydrophobicContact CE1-CG 3.86Å; F317-E347 WeakPolarHBondContact CE1-OE1 3.43Å; F317-E347 HydrophobicContact CE2-CB 4.25Å; F317-E347 HydrophobicContact CG-CB 4.4Å; F317-E347 HydrophobicContact CZ-CB 3.98Å; F317-E347 HydrophobicContact CZ-CG 4.08Å; F317-E347 WeakPolarHBondContact CZ-OE1 3.44Å; F317-E347 WeakPolarHBondContact CZ-OE2 3.26Å; I318-E347 PolarHBondContact N-O 3.19Å
348	L	98.6	Very high	97.6	Very high	39 Å²	39	54.5 Å²	54.5	20%	0.204	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	132.4	-176.9	-174.3	137.1	0	0	0	112.1	I318 Y337 E338 F350	I318-L348 HydrophobicContact CB-CB 4.37Å; I318-L348 HydrophobicContact CB-CD1 4.2Å; I318-L348 HydrophobicContact CB-CG 4.37Å; I318-L348 HydrophobicContact CG2-CD1 3.88Å; I318-L348 HydrophobicContact CG2-CG 4.43Å; I318-L348 CarbonylContact O-C 3.52Å; I318-L348 WeakPolarHBondContact O-CA 3.2Å; Y337-L348 HydrophobicContact CD2-CD1 4.22Å; Y337-L348 HydrophobicContact CD2-CD2 4.13Å; E338-L348 HydrophobicContact CB-CD1 3.97Å; L348-F350 HydrophobicContact CD2-CD1 4.36Å; L348-F350 HydrophobicContact CD2-CD2 4.11Å; L348-F350 HydrophobicContact CD2-CE1 3.85Å; L348-F350 HydrophobicContact CD2-CE2 3.6Å; L348-F350 HydrophobicContact CD2-CG 4.48Å; L348-F350 HydrophobicContact CD2-CZ 3.45Å; L348-F350 VanDerWaalsContact CD2-CZ 3.45Å
349	V	98.8	Very high	97.6	Very high	14 Å²	14	54.5 Å²	54.5	9%	0.085	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	123.8	-175.4	174.5	0	0	0	0	109.9	F317 I318 F319 D320 L351 R401	F317-V349 HydrophobicContact CD1-CG2 4.16Å; F317-V349 HydrophobicContact CE1-CG2 4.41Å; I318-V349 PolarHBondContact O-N 2.92Å; F319-V349 HydrophobicContact CD1-CB 3.82Å; F319-V349 HydrophobicContact CD1-CG1 3.8Å; F319-V349 HydrophobicContact CE1-CB 4Å; F319-V349 HydrophobicContact CE1-CG1 3.87Å; F319-V349 HydrophobicContact CE1-CG2 4.29Å; D320-V349 PolarHBondContact N-O 3.01Å; V349-L351 HydrophobicContact CG1-CD2 4.08Å; V349-R401 VanDerWaalsContact CG1-NH1 3.26Å; V349-R401 VanDerWaalsContact CG1-NH2 3.26Å
350	F	98.8	Very high	97.7	Very high	44 Å²	44	56 Å²	56	19%	0.193	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	142.4	167.3	-64.6	-66	0	0	0	111	D320 R322 A327 Y337 L348	D320-F350 HydrophobicContact CB-CD1 3.79Å; D320-F350 HydrophobicContact CB-CE1 3.92Å; D320-F350 WeakPolarHBondContact O-CA 3.4Å; D320-F350 WeakPolarHBondContact OD2-CE1 3.29Å; R322-F350 WeakPolarHBondContact O-CB 3.35Å; R322-F350 WeakPolarHBondContact O-CD1 3.45Å; A327-F350 HydrophobicContact CB-CD1 4.23Å; A327-F350 HydrophobicContact CB-CE1 3.35Å; A327-F350 HydrophobicContact CB-CZ 3.9Å; Y337-F350 HydrophobicContact CD1-CZ 4.12Å; Y337-F350 HydrophobicContact CD2-CZ 4.04Å; Y337-F350 HydrophobicContact CE1-CZ 4.37Å; Y337-F350 HydrophobicContact CE2-CZ 4.29Å; Y337-F350 HydrophobicContact CG-CE1 4.47Å; Y337-F350 AromaticContact CG-CZ 3.95Å; Y337-F350 HydrophobicContact CG-CZ 3.95Å; L348-F350 HydrophobicContact CD2-CD1 4.36Å; L348-F350 HydrophobicContact CD2-CD2 4.11Å; L348-F350 HydrophobicContact CD2-CE1 3.85Å; L348-F350 HydrophobicContact CD2-CE2 3.6Å; L348-F350 HydrophobicContact CD2-CG 4.48Å; L348-F350 HydrophobicContact CD2-CZ 3.45Å; L348-F350 VanDerWaalsContact CD2-CZ 3.45Å
351	L	98.8	Very high	98	Very high	9 Å²	9	52 Å²	52	5%	0.047	26%	0.258	C	S	.	.			trans	-113.3	2	-178.3	-62	177.9	0	0	0	114.3	F319 D320 V349 I353 I402 L427	F319-L351 HydrophobicContact CB-CD1 4.06Å; F319-L351 HydrophobicContact CD1-CD1 4.21Å; F319-L351 HydrophobicContact CD1-CD2 3.92Å; F319-L351 HydrophobicContact CD1-CG 4.26Å; F319-L351 HydrophobicContact CE1-CD2 4.45Å; D320-L351 PolarHBondContact O-N 3.23Å; V349-L351 HydrophobicContact CG1-CD2 4.08Å; L351-I353 HydrophobicContact CB-CD1 4.34Å; L351-I353 HydrophobicContact CB-CG1 4.29Å; L351-I353 PolarHBondContact O-N 3.43Å; L351-I402 HydrophobicContact CD1-CD1 4.42Å; L351-L427 HydrophobicContact CD1-CD1 3.64Å; L351-L427 HydrophobicContact CD1-CD2 3.94Å; L351-L427 HydrophobicContact CD1-CG 4.47Å
352	D	98.8	Very high	98.3	Very high	78 Å²	78	46 Å²	46	42%	0.417	23%	0.227	S	C	.	.			trans	58.8	18.2	173.9	-60.2	-51.8	0	0	0	116.6	R322 P323 H354	R322-D352 PolarHBondContact O-N 3.07Å; P323-D352 WeakPolarHBondContact CA-OD1 3.4Å; P323-D352 WeakPolarHBondContact CB-OD1 3.42Å; P323-D352 HydrophobicContact CG-CB 4.42Å; D352-H354 PolarHBondContact O-CE1 3.28Å; D352-H354 PolarHBondContact O-N 3.38Å; D352-H354 PolarHBondContact O-ND1 3.05Å
353	I	98.8	Very high	98.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.229	C	C	.	.			trans	-78.7	114.3	177.9	-48.8	170.9	0	0	0	110.1	A321 P323 L351 M359 L394 I395 R423 L427	A321-I353 HydrophobicContact CB-CD1 4.48Å; A321-I353 WeakPolarHBondContact O-CA 3.43Å; A321-I353 WeakPolarHBondContact O-CB 3.47Å; A321-I353 PolarHBondContact O-N 3.29Å; P323-I353 WeakPolarHBondContact CD-O 3.34Å; L351-I353 HydrophobicContact CB-CD1 4.34Å; L351-I353 HydrophobicContact CB-CG1 4.29Å; L351-I353 PolarHBondContact O-N 3.43Å; I353-M359 HydrophobicContact CG2-CE 3.57Å; I353-L394 HydrophobicContact CG1-CB 4.29Å; I353-I395 HydrophobicContact CD1-CG1 4.1Å; I353-I395 HydrophobicContact CG1-CG1 4.42Å; I353-I395 HydrophobicContact CG2-CD1 4.42Å; I353-I395 HydrophobicContact CG2-CG1 3.76Å; I353-R423 HydrophobicContact CB-CG 4.3Å; I353-R423 HydrophobicContact CG2-CG 3.75Å; I353-R423 VanDerWaalsContact O-CD 3.26Å; I353-R423 WeakPolarHBondContact O-CD 3.4Å; I353-R423 PolarHBondContact O-NH1 2.98Å; I353-L427 HydrophobicContact CD1-CD1 4.18Å; I353-L427 HydrophobicContact CD1-CD2 3.79Å; I353-L427 HydrophobicContact CD1-CG 4.13Å
354	H	98.7	Very high	98.4	Very high	68 Å²	68	51 Å²	51	32%	0.315	25%	0.246	S	C	.	.			trans	-67.1	169.8	-172.1	-74	62.3	0	0	0	113.7	D352 V358 M359 R423	D352-H354 PolarHBondContact O-CE1 3.28Å; D352-H354 PolarHBondContact O-N 3.38Å; D352-H354 PolarHBondContact O-ND1 3.05Å; H354-V358 HydrophobicContact CB-CB 3.81Å; H354-V358 HydrophobicContact CB-CG1 3.8Å; H354-V358 HydrophobicContact CB-CG2 4.09Å; H354-M359 HydrophobicContact CB-CE 4.16Å; H354-R423 WeakPolarHBondContact O-CD 3.28Å; H354-R423 PolarHBondContact O-NH1 2.62Å
355	N	98.6	Very high	98.6	Very high	52 Å²	52	46.8 Å²	46.8	28%	0.278	23%	0.225	S	C	.	.			trans	-80.5	171	-176.3	71.3	48.7	0	0	0	113	H357 V358 M359	N355-H357 PolarHBondContact O-N 3.32Å; N355-H357 VanDerWaalsContact O-N 3.09Å; N355-H357 WeakPolarHBondContact OD1-CB 3.48Å; N355-H357 PolarHBondContact OD1-CD2 3.43Å; N355-H357 PolarHBondContact OD1-N 3Å; N355-V358 PolarHBondContact O-N 3.2Å; N355-V358 VanDerWaalsContact O-N 3.1Å; N355-V358 PolarHBondContact OD1-N 3.1Å; N355-M359 PolarHBondContact O-N 2.87Å
356	I	98.6	Very high	98.7	Very high	22 Å²	22	43.6 Å²	43.6	11%	0.113	21%	0.208	C	C	.	.	H	α-helix	trans	-55.4	-27.8	-176.6	62.1	169.8	0	0	0	114.8	R360 S477 V479	I356-R360 PolarHBondContact O-N 3.27Å; I356-R360 VanDerWaalsContact O-N 3.12Å; I356-S477 WeakPolarHBondContact CA-OG 3.4Å; I356-S477 WeakPolarHBondContact CB-OG 3.5Å; I356-S477 WeakPolarHBondContact O-CB 3.19Å; I356-S477 PolarHBondContact O-OG 3.24Å; I356-V479 HydrophobicContact CG2-CG2 4Å
357	H	98.5	Very high	98.7	Very high	88 Å²	88	44.7 Å²	44.7	41%	0.407	21%	0.209	S	C	.	.	H	α-helix	trans	-76.1	-38.3	-179.3	-47.1	-48.1	0	0	0	111.3	N355 R360 E361 A474	N355-H357 PolarHBondContact O-N 3.32Å; N355-H357 VanDerWaalsContact O-N 3.09Å; N355-H357 WeakPolarHBondContact OD1-CB 3.48Å; N355-H357 PolarHBondContact OD1-CD2 3.43Å; N355-H357 PolarHBondContact OD1-N 3Å; H357-R360 PolarHBondContact O-N 2.81Å; H357-E361 WeakPolarHBondContact O-CB 3.39Å; H357-E361 PolarHBondContact O-N 3.43Å; H357-A474 PolarHBondContact CE1-O 2.65Å; H357-A474 PolarHBondContact ND1-O 2.7Å
358	V	98.8	Very high	98.7	Very high	48 Å²	48	46.3 Å²	46.3	29%	0.291	22%	0.217	S	C	.	.	H	α-helix	trans	-65.3	-43.6	174.9	-178.3	0	0	0	0	110.2	H354 N355 R360 E361 S362	H354-V358 HydrophobicContact CB-CB 3.81Å; H354-V358 HydrophobicContact CB-CG1 3.8Å; H354-V358 HydrophobicContact CB-CG2 4.09Å; N355-V358 PolarHBondContact O-N 3.2Å; N355-V358 VanDerWaalsContact O-N 3.1Å; N355-V358 PolarHBondContact OD1-N 3.1Å; V358-R360 VanDerWaalsContact C-N 3.34Å; V358-R360 PolarHBondContact O-N 3.19Å; V358-E361 PolarHBondContact O-N 3.36Å; V358-S362 WeakPolarHBondContact O-CB 3.36Å; V358-S362 PolarHBondContact O-N 3.04Å
359	M	98.8	Very high	98.7	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.02	21%	0.214	C	C	.	.	H	α-helix	trans	-64.9	-35.7	177.8	-54.6	-44.4	-167.7	0	0	112.8	I353 H354 N355 L363 H391 P478 Q482	I353-M359 HydrophobicContact CG2-CE 3.57Å; H354-M359 HydrophobicContact CB-CE 4.16Å; N355-M359 PolarHBondContact O-N 2.87Å; M359-L363 PolarHBondContact O-N 3.31Å; M359-H391 HydrophobicContact CE-CB 4.12Å; M359-H391 HydrophobicContact SD-CB 3.9Å; M359-H391 VanDerWaalsContact SD-CD2 3.51Å; M359-P478 HydrophobicContact CB-CG 4.43Å; M359-Q482 PolarHBondContact SD-NE2 3.36Å
360	R	98.7	Very high	98.7	Very high	80 Å²	80	45.3 Å²	45.3	30%	0.302	21%	0.211	S	C	.	.	H	α-helix	trans	-63.9	-46.3	172.1	174.6	177.2	59.4	-116.4	7.7	111.5	I356 H357 V358 L363 R364 A474 R476	I356-R360 PolarHBondContact O-N 3.27Å; I356-R360 VanDerWaalsContact O-N 3.12Å; H357-R360 PolarHBondContact O-N 2.81Å; V358-R360 VanDerWaalsContact C-N 3.34Å; V358-R360 PolarHBondContact O-N 3.19Å; R360-L363 PolarHBondContact O-N 3.36Å; R360-R364 PolarHBondContact O-N 3.43Å; R360-A474 VanDerWaalsContact NH1-C 3.26Å; R360-A474 PolarHBondContact NH1-O 3.21Å; R360-A474 PolarHBondContact NH2-O 2.78Å; R360-R476 WeakPolarHBondContact CD-O 3.45Å; R360-R476 PolarHBondContact NH1-O 3.32Å
361	E	98.9	Very high	98.6	Very high	75 Å²	75	44.4 Å²	44.4	35%	0.35	21%	0.207	S	C	.	.	H	α-helix	trans	-65.1	-39.8	-179.3	174.3	54.2	-159.7	0	0	112	H357 V358 R364 K365	H357-E361 WeakPolarHBondContact O-CB 3.39Å; H357-E361 PolarHBondContact O-N 3.43Å; V358-E361 PolarHBondContact O-N 3.36Å; E361-R364 WeakPolarHBondContact O-CB 3.26Å; E361-R364 PolarHBondContact O-N 2.78Å; E361-R364 IonicContact OE1-CZ 2.83Å; E361-R364 IonicContact OE1-NE 3.23Å; E361-R364 PolarHBondContact OE1-NE 3.17Å; E361-R364 IonicContact OE1-NH2 3.63Å; E361-R364 PolarHBondContact OE1-NH2 3.22Å; E361-R364 IonicContact OE2-CZ 2.91Å; E361-R364 IonicContact OE2-NE 3.8Å; E361-R364 PolarHBondContact OE2-NE 3.33Å; E361-R364 IonicContact OE2-NH2 2.84Å; E361-K365 PolarHBondContact O-N 3.34Å; E361-K365 WeakPolarHBondContact OE1-CE 3.42Å
362	S	98.9	Very high	98.4	Very high	4 Å²	4	46.5 Å²	46.5	3%	0.028	22%	0.221	C	C	.	.	H	α-helix	trans	-58.8	-46.7	173.7	-176.4	0	0	0	0	112.1	V358 R364 K365 L366 T386 W388	V358-S362 WeakPolarHBondContact O-CB 3.36Å; V358-S362 PolarHBondContact O-N 3.04Å; S362-R364 PolarHBondContact O-N 3.5Å; S362-K365 PolarHBondContact O-N 2.85Å; S362-L366 PolarHBondContact O-N 2.94Å; S362-T386 WeakPolarHBondContact CA-O 3.46Å; S362-T386 VanDerWaalsContact CB-O 3.31Å; S362-T386 WeakPolarHBondContact CB-O 3.42Å; S362-T386 PolarHBondContact OG-O 2.85Å; S362-W388 VanDerWaalsContact OG-CA 3.31Å; S362-W388 WeakPolarHBondContact OG-CA 3.41Å; S362-W388 PolarHBondContact OG-N 2.75Å
363	L	98.9	Very high	98.3	Very high	24 Å²	24	47.9 Å²	47.9	13%	0.126	23%	0.228	C	C	.	.	H	α-helix	trans	-66.8	-34.5	175.9	-173.1	61.1	0	0	0	113.1	I158 M359 R360 L366 K367 W388 P478 L481 Y580	I158-L363 HydrophobicContact CD1-CD1 3.83Å; I158-L363 HydrophobicContact CD1-CD2 4.5Å; I158-L363 HydrophobicContact CD1-CG 4.37Å; M359-L363 PolarHBondContact O-N 3.31Å; R360-L363 PolarHBondContact O-N 3.36Å; L363-L366 HydrophobicContact CD1-CD2 4.15Å; L363-L366 PolarHBondContact O-N 2.91Å; L363-K367 PolarHBondContact O-N 3.4Å; L363-W388 HydrophobicContact CB-CE3 4.21Å; L363-W388 HydrophobicContact CB-CH2 4.31Å; L363-W388 HydrophobicContact CB-CZ3 3.67Å; L363-W388 HydrophobicContact CD1-CE3 4.43Å; L363-W388 HydrophobicContact CD1-CH2 4.11Å; L363-W388 HydrophobicContact CD1-CZ3 4.09Å; L363-W388 HydrophobicContact CG-CZ3 4.39Å; L363-P478 HydrophobicContact CB-CG 4.03Å; L363-P478 HydrophobicContact CD2-CB 3.57Å; L363-P478 HydrophobicContact CD2-CG 3.77Å; L363-L481 HydrophobicContact CD1-CD2 4.37Å; L363-L481 HydrophobicContact CD2-CD2 3.9Å; L363-Y580 HydrophobicContact CD1-CE1 4.03Å
364	R	98.8	Very high	98.2	Very high	105 Å²	105	49.4 Å²	49.4	40%	0.396	24%	0.236	S	C	.	.	H	α-helix	trans	-59.3	-50.8	175.3	-174	-162.9	65.8	72.8	8.6	110.3	R360 E361 S362 L366 K367 E368	R360-R364 PolarHBondContact O-N 3.43Å; E361-R364 WeakPolarHBondContact O-CB 3.26Å; E361-R364 PolarHBondContact O-N 2.78Å; E361-R364 IonicContact OE1-CZ 2.83Å; E361-R364 IonicContact OE1-NE 3.23Å; E361-R364 PolarHBondContact OE1-NE 3.17Å; E361-R364 IonicContact OE1-NH2 3.63Å; E361-R364 PolarHBondContact OE1-NH2 3.22Å; E361-R364 IonicContact OE2-CZ 2.91Å; E361-R364 IonicContact OE2-NE 3.8Å; E361-R364 PolarHBondContact OE2-NE 3.33Å; E361-R364 IonicContact OE2-NH2 2.84Å; S362-R364 PolarHBondContact O-N 3.5Å; R364-L366 PolarHBondContact O-N 2.99Å; R364-K367 PolarHBondContact O-N 3.33Å; R364-E368 IonicContact CZ-OE1 3.87Å; R364-E368 IonicContact CZ-OE2 2.66Å; R364-E368 IonicContact NH1-OE1 3.73Å; R364-E368 PolarHBondContact NH1-OE1 2.74Å; R364-E368 IonicContact NH1-OE2 3.83Å; R364-E368 PolarHBondContact NH1-OE2 3.19Å; R364-E368 IonicContact NH2-OE2 3.77Å; R364-E368 PolarHBondContact O-N 3.16Å
365	K	98.9	Very high	98	Very high	64 Å²	64	50 Å²	50	28%	0.278	24%	0.239	S	C	.	.	H	α-helix	trans	-60.2	-43	175.4	-68.1	178.4	171.9	-173.3	0	112.1	E361 S362 K367 E368 I369 S385 T386	E361-K365 PolarHBondContact O-N 3.34Å; E361-K365 WeakPolarHBondContact OE1-CE 3.42Å; S362-K365 PolarHBondContact O-N 2.85Å; K365-K367 PolarHBondContact O-N 3.49Å; K365-E368 PolarHBondContact O-N 3.06Å; K365-I369 PolarHBondContact O-N 2.91Å; K365-S385 WeakPolarHBondContact CD-O 3.19Å; K365-S385 PolarHBondContact NZ-O 2.75Å; K365-T386 HydrophobicContact CB-CG2 4.02Å
366	L	98.9	Very high	97.9	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.2	-46.1	177.4	-178.3	63.9	0	0	0	111.5	S362 L363 R364 E368 I369 V370 L383 T386 W388 L575 Y580	S362-L366 PolarHBondContact O-N 2.94Å; L363-L366 HydrophobicContact CD1-CD2 4.15Å; L363-L366 PolarHBondContact O-N 2.91Å; R364-L366 PolarHBondContact O-N 2.99Å; L366-E368 VanDerWaalsContact C-N 3.26Å; L366-E368 PolarHBondContact O-N 3.49Å; L366-I369 HydrophobicContact CD1-CD1 4.31Å; L366-I369 HydrophobicContact CD1-CG1 4.37Å; L366-I369 VanDerWaalsContact O-CG1 3.31Å; L366-I369 WeakPolarHBondContact O-CG1 3.33Å; L366-I369 PolarHBondContact O-N 2.9Å; L366-V370 HydrophobicContact CD1-CG1 3.89Å; L366-V370 HydrophobicContact CG-CG1 4.42Å; L366-V370 WeakPolarHBondContact O-CG1 3.37Å; L366-V370 WeakPolarHBondContact O-CG2 3.21Å; L366-V370 PolarHBondContact O-N 3.17Å; L366-L383 HydrophobicContact CD1-CD1 3.87Å; L366-T386 HydrophobicContact CB-CG2 4.23Å; L366-T386 HydrophobicContact CD1-CG2 4.38Å; L366-W388 HydrophobicContact CD2-CB 4.19Å; L366-W388 HydrophobicContact CD2-CD2 3.96Å; L366-W388 HydrophobicContact CD2-CG 3.71Å; L366-L575 HydrophobicContact CD1-CD1 3.96Å; L366-L575 HydrophobicContact CD1-CD2 4.22Å; L366-L575 HydrophobicContact CD2-CD1 4.04Å; L366-Y580 HydrophobicContact CD2-CD1 3.74Å; L366-Y580 HydrophobicContact CD2-CD2 4.39Å; L366-Y580 HydrophobicContact CD2-CE1 3.89Å; L366-Y580 HydrophobicContact CD2-CE2 4.49Å; L366-Y580 HydrophobicContact CD2-CG 4.05Å
367	K	98.6	Very high	97.9	Very high	37 Å²	37	58.3 Å²	58.3	16%	0.161	28%	0.284	C	S	.	.	H	α-helix	trans	-56.6	-39.7	176.9	-178.1	175	179.9	176.6	0	112.3	C155 I158 R159 L363 R364 K365 Y371	C155-K367 PolarHBondContact O-NZ 3.32Å; I158-K367 HydrophobicContact CG2-CB 4.3Å; I158-K367 HydrophobicContact CG2-CG 4.14Å; R159-K367 WeakPolarHBondContact O-CE 3.35Å; R159-K367 PolarHBondContact O-NZ 2.89Å; L363-K367 PolarHBondContact O-N 3.4Å; R364-K367 PolarHBondContact O-N 3.33Å; K365-K367 PolarHBondContact O-N 3.49Å; K367-Y371 PolarHBondContact O-N 3.22Å; K367-Y371 VanDerWaalsContact O-N 3.11Å
368	E	98.4	Very high	97.8	Very high	117 Å²	117	59.1 Å²	59.1	55%	0.547	29%	0.288	S	S	.	.	H	α-helix	trans	-68.6	-30.9	-177.6	-73.4	171.3	175.9	0	0	113.7	R364 K365 L366	R364-E368 IonicContact CZ-OE1 3.87Å; R364-E368 IonicContact CZ-OE2 2.66Å; R364-E368 IonicContact NH1-OE1 3.73Å; R364-E368 PolarHBondContact NH1-OE1 2.74Å; R364-E368 IonicContact NH1-OE2 3.83Å; R364-E368 PolarHBondContact NH1-OE2 3.19Å; R364-E368 IonicContact NH2-OE2 3.77Å; R364-E368 PolarHBondContact O-N 3.16Å; K365-E368 PolarHBondContact O-N 3.06Å; L366-E368 VanDerWaalsContact C-N 3.26Å; L366-E368 PolarHBondContact O-N 3.49Å
369	I	98.4	Very high	97.8	Very high	29 Å²	29	59.5 Å²	59.5	15%	0.149	28%	0.284	C	S	.	.	H	α-helix	trans	-90.5	-17.5	179.6	68.8	164.3	0	0	0	113.7	K365 L366 W379 N382 L383 T386	K365-I369 PolarHBondContact O-N 2.91Å; L366-I369 HydrophobicContact CD1-CD1 4.31Å; L366-I369 HydrophobicContact CD1-CG1 4.37Å; L366-I369 VanDerWaalsContact O-CG1 3.31Å; L366-I369 WeakPolarHBondContact O-CG1 3.33Å; L366-I369 PolarHBondContact O-N 2.9Å; I369-W379 HydrophobicContact CD1-CZ3 4.08Å; I369-W379 HydrophobicContact CG1-CZ3 4.41Å; I369-N382 HydrophobicContact CB-CB 4.4Å; I369-N382 HydrophobicContact CD1-CB 4.11Å; I369-N382 HydrophobicContact CG2-CB 4.09Å; I369-L383 HydrophobicContact CD1-CB 4.16Å; I369-L383 HydrophobicContact CD1-CD1 4.43Å; I369-T386 HydrophobicContact CD1-CG2 3.56Å; I369-T386 HydrophobicContact CG1-CG2 4.16Å
370	V	97.9	Very high	97.7	Very high	3 Å²	3	65.7 Å²	65.7	2%	0.018	32%	0.316	C	S	.	.	H	α-helix	trans	-103.5	-17.9	-178.8	-54.5	0	0	0	0	114.7	I158 L366 W379 L575 I581	I158-V370 HydrophobicContact CG2-CG2 3.55Å; L366-V370 HydrophobicContact CD1-CG1 3.89Å; L366-V370 HydrophobicContact CG-CG1 4.42Å; L366-V370 WeakPolarHBondContact O-CG1 3.37Å; L366-V370 WeakPolarHBondContact O-CG2 3.21Å; L366-V370 PolarHBondContact O-N 3.17Å; V370-W379 HydrophobicContact CG1-CH2 3.91Å; V370-W379 HydrophobicContact CG1-CZ3 4.06Å; V370-L575 HydrophobicContact CG1-CD2 4.22Å; V370-I581 HydrophobicContact CB-CG1 4.22Å; V370-I581 HydrophobicContact CG1-CD1 4.47Å; V370-I581 HydrophobicContact CG1-CG1 4.34Å
371	Y	97.3	Very high	97.7	Very high	25 Å²	25	64.9 Å²	64.9	10%	0.098	32%	0.323	C	S	.	.	S	Bend	trans	-138.5	131.1	-175.7	-169.5	-85.5	0	0	0	112.9	F97 I158 R159 S160 K367 W583	F97-Y371 HydrophobicContact CE2-CE2 4.07Å; F97-Y371 HydrophobicContact CZ-CD2 4.29Å; F97-Y371 AromaticContact CZ-CE2 3.83Å; F97-Y371 HydrophobicContact CZ-CE2 3.83Å; I158-Y371 WeakPolarHBondContact O-CD2 3.37Å; R159-Y371 HydrophobicContact CB-CD1 4.45Å; R159-Y371 HydrophobicContact CB-CD2 4.04Å; R159-Y371 HydrophobicContact CB-CE1 4.04Å; R159-Y371 HydrophobicContact CB-CE2 3.58Å; R159-Y371 HydrophobicContact CB-CG 4.46Å; S160-Y371 VanDerWaalsContact N-CE1 3.26Å; S160-Y371 PolarHBondContact O-OH 2.73Å; K367-Y371 PolarHBondContact O-N 3.22Å; K367-Y371 VanDerWaalsContact O-N 3.11Å; Y371-W583 HydrophobicContact CD2-CB 4.36Å; Y371-W583 HydrophobicContact CE2-CB 3.91Å; Y371-W583 HydrophobicContact CE2-CG 4.36Å
372	P	95.1	Very high	97.7	Very high	53 Å²	53	63.6 Å²	63.6	34%	0.344	32%	0.318	S	S	.	.	S	Bend	cis	-83.1	-31.3	3	30.6	-34.1	0	0	0	114.4	P96 F97	P96-P372 HydrophobicContact CB-CB 3.39Å; P96-P372 HydrophobicContact CB-CG 4.18Å; P96-P372 HydrophobicContact CG-CB 3.87Å; F97-P372 WeakPolarHBondContact CE1-O 3.36Å
373	N	95.5	Very high	97.7	Very high	107 Å²	107	64.3 Å²	64.3	57%	0.572	32%	0.322	S	S	*	.			trans	-121.5	138.2	-173.7	-60.6	-49.9	0	0	0	109.7
374	I	96.6	Very high	97.7	Very high	32 Å²	32	69.8 Å²	69.8	16%	0.164	35%	0.347	C	S	.	.			trans	-84.2	137.9	174.1	-68.5	163.4	0	0	0	108.8	W379 I581 M587	I374-W379 HydrophobicContact CD1-CZ3 4.35Å; I374-W379 HydrophobicContact CG1-CZ3 4.26Å; I374-W379 HydrophobicContact CG2-CD2 4.21Å; I374-W379 HydrophobicContact CG2-CE3 3.56Å; I374-W379 HydrophobicContact CG2-CZ3 4.03Å; I374-I581 HydrophobicContact CD1-CD1 3.96Å; I374-I581 HydrophobicContact CD1-CG2 3.88Å; I374-M587 HydrophobicContact CD1-CE 4.12Å; I374-M587 HydrophobicContact CD1-SD 4.26Å
375	E	95.8	Very high	97.7	Very high	82 Å²	82	67.4 Å²	67.4	38%	0.383	35%	0.346	S	S	.	.			trans	-90.8	102.9	166.9	-157.9	-63.8	108.1	0	0	107.9	T377 H378 W379	E375-T377 PolarHBondContact O-N 2.71Å; E375-T377 WeakPolarHBondContact OE1-CB 3.44Å; E375-T377 PolarHBondContact OE1-N 3.16Å; E375-T377 PolarHBondContact OE1-OG1 2.85Å; E375-T377 WeakPolarHBondContact OE2-CB 3.37Å; E375-T377 PolarHBondContact OE2-N 3Å; E375-H378 WeakPolarHBondContact OE2-CB 3.29Å; E375-H378 IonicContact OE2-CE1 3.18Å; E375-H378 IonicContact OE2-CG 2.9Å; E375-H378 PolarHBondContact OE2-N 3.21Å; E375-H378 IonicContact OE2-ND1 3.8Å; E375-H378 PolarHBondContact OE2-ND1 3.46Å; E375-W379 PolarHBondContact O-N 3.33Å
376	E	95.2	Very high	97.7	Very high	133 Å²	133	64.4 Å²	64.4	62%	0.621	33%	0.333	S	S	*	.	S	Bend	trans	-67.4	-33.2	-170.8	-58.9	-63.8	163.2	0	0	112.9	H378 W379	E376-H378 VanDerWaalsContact C-N 3.31Å; E376-H378 PolarHBondContact O-N 3.46Å; E376-W379 PolarHBondContact O-N 2.96Å
377	T	98.1	Very high	97.7	Very high	115 Å²	115	68.8 Å²	68.8	71%	0.706	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-39.3	-173.4	-41.1	0	0	0	0	111.8	E375	E375-T377 PolarHBondContact O-N 2.71Å; E375-T377 WeakPolarHBondContact OE1-CB 3.44Å; E375-T377 PolarHBondContact OE1-N 3.16Å; E375-T377 PolarHBondContact OE1-OG1 2.85Å; E375-T377 WeakPolarHBondContact OE2-CB 3.37Å; E375-T377 PolarHBondContact OE2-N 3Å
378	H	97.6	Very high	97.7	Very high	105 Å²	105	67 Å²	67	49%	0.486	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	20.5	-179.5	-54.6	86.2	0	0	0	112.3	E375 E376 L380 S381 N382	E375-H378 WeakPolarHBondContact OE2-CB 3.29Å; E375-H378 IonicContact OE2-CE1 3.18Å; E375-H378 IonicContact OE2-CG 2.9Å; E375-H378 PolarHBondContact OE2-N 3.21Å; E375-H378 IonicContact OE2-ND1 3.8Å; E375-H378 PolarHBondContact OE2-ND1 3.46Å; E376-H378 VanDerWaalsContact C-N 3.31Å; E376-H378 PolarHBondContact O-N 3.46Å; H378-L380 VanDerWaalsContact C-N 3.34Å; H378-L380 PolarHBondContact O-N 3.09Å; H378-S381 PolarHBondContact O-N 3.4Å; H378-S381 PolarHBondContact O-OG 3.1Å; H378-S381 VanDerWaalsContact O-OG 3.09Å; H378-N382 WeakPolarHBondContact O-CB 3.43Å; H378-N382 PolarHBondContact O-N 2.81Å; H378-N382 PolarHBondContact O-ND2 3.43Å
379	W	97.9	Very high	97.7	Very high	55 Å²	55	62.2 Å²	62.2	21%	0.208	32%	0.324	C	S	.	.	H	α-helix	trans	-48.9	-50.8	-174.1	169.5	-120.9	0	0	0	113.6	I369 V370 I374 E375 E376 L383 L575 I581	I369-W379 HydrophobicContact CD1-CZ3 4.08Å; I369-W379 HydrophobicContact CG1-CZ3 4.41Å; V370-W379 HydrophobicContact CG1-CH2 3.91Å; V370-W379 HydrophobicContact CG1-CZ3 4.06Å; I374-W379 HydrophobicContact CD1-CZ3 4.35Å; I374-W379 HydrophobicContact CG1-CZ3 4.26Å; I374-W379 HydrophobicContact CG2-CD2 4.21Å; I374-W379 HydrophobicContact CG2-CE3 3.56Å; I374-W379 HydrophobicContact CG2-CZ3 4.03Å; E375-W379 PolarHBondContact O-N 3.33Å; E376-W379 PolarHBondContact O-N 2.96Å; W379-L383 HydrophobicContact CZ2-CD2 4.03Å; W379-L383 VanDerWaalsContact O-CB 3.28Å; W379-L383 WeakPolarHBondContact O-CB 3.31Å; W379-L383 PolarHBondContact O-N 2.88Å; W379-L575 HydrophobicContact CH2-CD2 3.39Å; W379-L575 HydrophobicContact CZ2-CD2 3.55Å; W379-I581 HydrophobicContact CH2-CD1 4.36Å
380	L	98.3	Very high	97.7	Very high	135 Å²	135	63.5 Å²	63.5	71%	0.707	33%	0.329	S	S	*	.	H	α-helix	trans	-67.7	-42.7	-175.8	-62.5	177.5	0	0	0	112.8	H378 L383 E384	H378-L380 VanDerWaalsContact C-N 3.34Å; H378-L380 PolarHBondContact O-N 3.09Å; L380-L383 PolarHBondContact O-N 3.23Å; L380-E384 WeakPolarHBondContact O-CB 3.31Å; L380-E384 PolarHBondContact O-N 3.27Å
381	S	98.3	Very high	97.8	Very high	62 Å²	62	64 Å²	64	43%	0.434	33%	0.331	S	S	.	.	H	α-helix	trans	-73.5	-36.1	179	48.9	0	0	0	0	112.1	H378 E384 S385	H378-S381 PolarHBondContact O-N 3.4Å; H378-S381 PolarHBondContact O-OG 3.1Å; H378-S381 VanDerWaalsContact O-OG 3.09Å; S381-E384 PolarHBondContact O-N 3.02Å; S381-S385 WeakPolarHBondContact O-CB 3.26Å; S381-S385 PolarHBondContact O-N 3.29Å
382	N	98.6	Very high	97.9	Very high	49 Å²	49	62.8 Å²	62.8	26%	0.262	33%	0.326	S	S	.	.	H	α-helix	trans	-59	-50	170.1	-74.6	-21.5	0	0	0	110.2	I369 H378 E384 S385 T386	I369-N382 HydrophobicContact CB-CB 4.4Å; I369-N382 HydrophobicContact CD1-CB 4.11Å; I369-N382 HydrophobicContact CG2-CB 4.09Å; H378-N382 WeakPolarHBondContact O-CB 3.43Å; H378-N382 PolarHBondContact O-N 2.81Å; H378-N382 PolarHBondContact O-ND2 3.43Å; N382-E384 PolarHBondContact O-N 3.45Å; N382-S385 PolarHBondContact O-N 3.34Å; N382-S385 PolarHBondContact O-OG 2.82Å; N382-T386 WeakPolarHBondContact O-CG2 3.21Å; N382-T386 PolarHBondContact O-N 2.72Å
383	L	98.7	Very high	98	Very high	19 Å²	19	62.9 Å²	62.9	10%	0.099	32%	0.321	C	S	.	.	H	α-helix	trans	-60.3	-44.4	176.8	179.4	59.2	0	0	0	112.3	L366 I369 W379 L380 S385 T386 L389 L575	L366-L383 HydrophobicContact CD1-CD1 3.87Å; I369-L383 HydrophobicContact CD1-CB 4.16Å; I369-L383 HydrophobicContact CD1-CD1 4.43Å; W379-L383 HydrophobicContact CZ2-CD2 4.03Å; W379-L383 VanDerWaalsContact O-CB 3.28Å; W379-L383 WeakPolarHBondContact O-CB 3.31Å; W379-L383 PolarHBondContact O-N 2.88Å; L380-L383 PolarHBondContact O-N 3.23Å; L383-S385 VanDerWaalsContact C-N 3.31Å; L383-S385 PolarHBondContact O-N 2.6Å; L383-T386 WeakPolarHBondContact O-CB 3.49Å; L383-T386 PolarHBondContact O-N 3.19Å; L383-T386 PolarHBondContact O-OG1 2.95Å; L383-L389 HydrophobicContact CD2-CD1 3.92Å; L383-L389 HydrophobicContact CG-CD1 4.41Å; L383-L575 HydrophobicContact CD1-CD1 4.31Å; L383-L575 HydrophobicContact CD1-CD2 4.22Å; L383-L575 HydrophobicContact CD2-CB 4.37Å
384	E	98.6	Very high	98.2	Very high	138 Å²	138	59.5 Å²	59.5	65%	0.645	30%	0.303	S	S	*	.	H	α-helix	trans	-57.8	-42.1	175.3	-173.7	177.6	85	0	0	112	L380 S381 N382 T386 H387	L380-E384 WeakPolarHBondContact O-CB 3.31Å; L380-E384 PolarHBondContact O-N 3.27Å; S381-E384 PolarHBondContact O-N 3.02Å; N382-E384 PolarHBondContact O-N 3.45Å; E384-T386 PolarHBondContact O-N 3.35Å; E384-T386 VanDerWaalsContact O-N 3.17Å; E384-H387 PolarHBondContact O-N 2.91Å; E384-H387 PolarHBondContact O-ND1 2.78Å
385	S	98.6	Very high	98.3	Very high	55 Å²	55	58 Å²	58	39%	0.385	30%	0.295	S	S	.	.	H	α-helix	trans	-65.4	-16.5	179.9	84.2	0	0	0	0	114.9	K365 S381 N382 L383 H387	K365-S385 WeakPolarHBondContact CD-O 3.19Å; K365-S385 PolarHBondContact NZ-O 2.75Å; S381-S385 WeakPolarHBondContact O-CB 3.26Å; S381-S385 PolarHBondContact O-N 3.29Å; N382-S385 PolarHBondContact O-N 3.34Å; N382-S385 PolarHBondContact O-OG 2.82Å; L383-S385 VanDerWaalsContact C-N 3.31Å; L383-S385 PolarHBondContact O-N 2.6Å; S385-H387 VanDerWaalsContact C-N 3.35Å
386	T	98.8	Very high	98.5	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-75.3	-26.5	171.4	75.8	0	0	0	0	112.1	S362 K365 L366 I369 N382 L383 E384 W388	S362-T386 WeakPolarHBondContact CA-O 3.46Å; S362-T386 VanDerWaalsContact CB-O 3.31Å; S362-T386 WeakPolarHBondContact CB-O 3.42Å; S362-T386 PolarHBondContact OG-O 2.85Å; K365-T386 HydrophobicContact CB-CG2 4.02Å; L366-T386 HydrophobicContact CB-CG2 4.23Å; L366-T386 HydrophobicContact CD1-CG2 4.38Å; I369-T386 HydrophobicContact CD1-CG2 3.56Å; I369-T386 HydrophobicContact CG1-CG2 4.16Å; N382-T386 WeakPolarHBondContact O-CG2 3.21Å; N382-T386 PolarHBondContact O-N 2.72Å; L383-T386 WeakPolarHBondContact O-CB 3.49Å; L383-T386 PolarHBondContact O-N 3.19Å; L383-T386 PolarHBondContact O-OG1 2.95Å; E384-T386 PolarHBondContact O-N 3.35Å; E384-T386 VanDerWaalsContact O-N 3.17Å; T386-W388 PolarHBondContact O-N 3.35Å; T386-W388 WeakPolarHBondContact OG1-CB 3.33Å; T386-W388 PolarHBondContact OG1-N 3.24Å
387	H	98.8	Very high	98.6	Very high	93 Å²	93	49.2 Å²	49.2	43%	0.431	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	12.9	-166.7	-49.2	-49.2	0	0	0	115.6	E384 S385 L389 E390 H391	E384-H387 PolarHBondContact O-N 2.91Å; E384-H387 PolarHBondContact O-ND1 2.78Å; S385-H387 VanDerWaalsContact C-N 3.35Å; H387-L389 PolarHBondContact O-N 2.86Å; H387-E390 HydrophobicContact CB-CB 4.5Å; H387-E390 PolarHBondContact O-N 3.2Å; H387-H391 PolarHBondContact O-CD2 2.99Å; H387-H391 PolarHBondContact O-N 3.5Å
388	W	98.9	Very high	98.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.8	-53.4	-175.1	-174.6	-100.3	0	0	0	112.1	S362 L363 L366 T386 E390 H391 I392 P478 Q482 D485 Y580	S362-W388 VanDerWaalsContact OG-CA 3.31Å; S362-W388 WeakPolarHBondContact OG-CA 3.41Å; S362-W388 PolarHBondContact OG-N 2.75Å; L363-W388 HydrophobicContact CB-CE3 4.21Å; L363-W388 HydrophobicContact CB-CH2 4.31Å; L363-W388 HydrophobicContact CB-CZ3 3.67Å; L363-W388 HydrophobicContact CD1-CE3 4.43Å; L363-W388 HydrophobicContact CD1-CH2 4.11Å; L363-W388 HydrophobicContact CD1-CZ3 4.09Å; L363-W388 HydrophobicContact CG-CZ3 4.39Å; L366-W388 HydrophobicContact CD2-CB 4.19Å; L366-W388 HydrophobicContact CD2-CD2 3.96Å; L366-W388 HydrophobicContact CD2-CG 3.71Å; T386-W388 PolarHBondContact O-N 3.35Å; T386-W388 WeakPolarHBondContact OG1-CB 3.33Å; T386-W388 PolarHBondContact OG1-N 3.24Å; W388-E390 VanDerWaalsContact C-N 3.28Å; W388-E390 PolarHBondContact O-N 2.87Å; W388-H391 WeakPolarHBondContact O-CB 3.5Å; W388-H391 PolarHBondContact O-N 2.6Å; W388-H391 VanDerWaalsContact O-N 3.09Å; W388-I392 HydrophobicContact CZ2-CD1 4.33Å; W388-I392 WeakPolarHBondContact O-CG1 3.34Å; W388-I392 PolarHBondContact O-N 2.79Å; W388-P478 HydrophobicContact CH2-CB 4.2Å; W388-P478 HydrophobicContact CH2-CG 3.96Å; W388-P478 HydrophobicContact CZ3-CG 4.03Å; W388-Q482 HydrophobicContact CH2-CG 3.33Å; W388-Q482 HydrophobicContact CZ2-CG 3.68Å; W388-Q482 HydrophobicContact CZ3-CG 4.03Å; W388-D485 PolarHBondContact NE1-OD2 3.47Å; W388-Y580 AromaticContact CE2-CZ 3.94Å; W388-Y580 HydrophobicContact CZ2-CE1 4.39Å; W388-Y580 AromaticContact CZ2-CZ 3.99Å; W388-Y580 WeakPolarHBondContact CZ2-OH 3.34Å; W388-Y580 AromaticContact NE1-CE2 3.9Å; W388-Y580 AromaticContact NE1-CZ 3.63Å; W388-Y580 PolarHBondContact NE1-OH 2.92Å
389	L	98.9	Very high	98.7	Very high	15 Å²	15	38.8 Å²	38.8	8%	0.079	20%	0.204	C	C	.	.	H	α-helix	trans	-66.3	-27.9	178.9	-67.1	-177.3	0	0	0	113.1	L383 H387 I392 K393 M570 E574	L383-L389 HydrophobicContact CD2-CD1 3.92Å; L383-L389 HydrophobicContact CG-CD1 4.41Å; H387-L389 PolarHBondContact O-N 2.86Å; L389-I392 PolarHBondContact O-N 3.12Å; L389-K393 WeakPolarHBondContact O-CB 3.25Å; L389-K393 PolarHBondContact O-N 3.02Å; L389-M570 HydrophobicContact CB-CE 3.73Å; L389-M570 HydrophobicContact CB-SD 4.17Å; L389-E574 WeakPolarHBondContact CD2-O 3.5Å
390	E	98.8	Very high	98.8	Very high	56 Å²	56	37.5 Å²	37.5	26%	0.262	20%	0.201	S	C	.	.	H	α-helix	trans	-69.1	-35.9	172.8	-177.1	58.8	-142.3	0	0	111	H387 W388 K393 L394 M570	H387-E390 HydrophobicContact CB-CB 4.5Å; H387-E390 PolarHBondContact O-N 3.2Å; W388-E390 VanDerWaalsContact C-N 3.28Å; W388-E390 PolarHBondContact O-N 2.87Å; E390-K393 WeakPolarHBondContact O-CB 3.35Å; E390-K393 PolarHBondContact O-N 3.28Å; E390-K393 IonicContact OE1-NZ 3.56Å; E390-K393 PolarHBondContact OE1-NZ 2.95Å; E390-K393 WeakPolarHBondContact OE2-CD 3.36Å; E390-K393 IonicContact OE2-NZ 2.78Å; E390-K393 PolarHBondContact OE2-NZ 3.47Å; E390-L394 HydrophobicContact CG-CD1 4.42Å; E390-L394 VanDerWaalsContact O-CG 3.29Å; E390-L394 WeakPolarHBondContact O-CG 3.43Å; E390-L394 PolarHBondContact O-N 2.95Å; E390-M570 HydrophobicContact CB-SD 4.46Å
391	H	98.9	Very high	98.8	Very high	13 Å²	13	36.8 Å²	36.8	6%	0.06	19%	0.189	C	C	.	.	H	α-helix	trans	-69.6	-42.4	172.7	-62.6	-25.9	0	0	0	112.6	M359 H387 W388 K393 L394 I395	M359-H391 HydrophobicContact CE-CB 4.12Å; M359-H391 HydrophobicContact SD-CB 3.9Å; M359-H391 VanDerWaalsContact SD-CD2 3.51Å; H387-H391 PolarHBondContact O-CD2 2.99Å; H387-H391 PolarHBondContact O-N 3.5Å; W388-H391 WeakPolarHBondContact O-CB 3.5Å; W388-H391 PolarHBondContact O-N 2.6Å; W388-H391 VanDerWaalsContact O-N 3.09Å; H391-K393 VanDerWaalsContact C-N 3.32Å; H391-K393 PolarHBondContact O-N 3.47Å; H391-L394 PolarHBondContact O-N 3.44Å; H391-I395 WeakPolarHBondContact O-CD1 3.45Å; H391-I395 VanDerWaalsContact O-CG1 3.28Å; H391-I395 WeakPolarHBondContact O-CG1 3.39Å; H391-I395 PolarHBondContact O-N 2.96Å
392	I	98.9	Very high	98.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.2	-43.3	172.5	-63.7	-56.5	0	0	0	110.8	W388 L389 I395 L396 Q482 D485 Q489 L573	W388-I392 HydrophobicContact CZ2-CD1 4.33Å; W388-I392 WeakPolarHBondContact O-CG1 3.34Å; W388-I392 PolarHBondContact O-N 2.79Å; L389-I392 PolarHBondContact O-N 3.12Å; I392-I395 PolarHBondContact O-N 3.41Å; I392-L396 HydrophobicContact CG2-CD1 4.06Å; I392-L396 PolarHBondContact O-N 2.74Å; I392-Q482 HydrophobicContact CD1-CB 4.06Å; I392-Q482 HydrophobicContact CD1-CG 4.12Å; I392-D485 HydrophobicContact CD1-CB 3.78Å; I392-Q489 HydrophobicContact CG2-CG 3.86Å; I392-L573 HydrophobicContact CG2-CD1 4.41Å
393	K	98.9	Very high	98.8	Very high	55 Å²	55	31.5 Å²	31.5	24%	0.239	16%	0.155	C	C	.	.	H	α-helix	trans	-57.1	-50.9	173.5	170.4	178.3	156	-120.3	0	112.5	L389 E390 H391 I395 L396 A397 M570 L573	L389-K393 WeakPolarHBondContact O-CB 3.25Å; L389-K393 PolarHBondContact O-N 3.02Å; E390-K393 WeakPolarHBondContact O-CB 3.35Å; E390-K393 PolarHBondContact O-N 3.28Å; E390-K393 IonicContact OE1-NZ 3.56Å; E390-K393 PolarHBondContact OE1-NZ 2.95Å; E390-K393 WeakPolarHBondContact OE2-CD 3.36Å; E390-K393 IonicContact OE2-NZ 2.78Å; E390-K393 PolarHBondContact OE2-NZ 3.47Å; H391-K393 VanDerWaalsContact C-N 3.32Å; H391-K393 PolarHBondContact O-N 3.47Å; K393-I395 VanDerWaalsContact C-N 3.31Å; K393-I395 PolarHBondContact O-N 3.48Å; K393-L396 PolarHBondContact O-N 2.86Å; K393-A397 WeakPolarHBondContact O-CB 3.36Å; K393-A397 PolarHBondContact O-N 3.11Å; K393-M570 HydrophobicContact CB-SD 4.43Å; K393-M570 HydrophobicContact CD-CG 3.98Å; K393-M570 HydrophobicContact CD-SD 3.86Å; K393-L573 HydrophobicContact CB-CD1 3.59Å; K393-L573 HydrophobicContact CG-CD1 4.43Å
394	L	98.9	Very high	98.8	Very high	36 Å²	36	34 Å²	34	19%	0.188	17%	0.169	C	C	.	.	H	α-helix	trans	-64	-36.8	-179.1	-71.1	165.9	0	0	0	112	I353 E390 H391 G398	I353-L394 HydrophobicContact CG1-CB 4.29Å; E390-L394 HydrophobicContact CG-CD1 4.42Å; E390-L394 VanDerWaalsContact O-CG 3.29Å; E390-L394 WeakPolarHBondContact O-CG 3.43Å; E390-L394 PolarHBondContact O-N 2.95Å; H391-L394 PolarHBondContact O-N 3.44Å; L394-G398 PolarHBondContact O-N 2.81Å
395	I	98.9	Very high	98.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.5	-49.4	175.6	-67	163.1	0	0	0	110.9	I353 H391 I392 K393 G398 A399 Q426 L430 Q482	I353-I395 HydrophobicContact CD1-CG1 4.1Å; I353-I395 HydrophobicContact CG1-CG1 4.42Å; I353-I395 HydrophobicContact CG2-CD1 4.42Å; I353-I395 HydrophobicContact CG2-CG1 3.76Å; H391-I395 WeakPolarHBondContact O-CD1 3.45Å; H391-I395 VanDerWaalsContact O-CG1 3.28Å; H391-I395 WeakPolarHBondContact O-CG1 3.39Å; H391-I395 PolarHBondContact O-N 2.96Å; I392-I395 PolarHBondContact O-N 3.41Å; K393-I395 VanDerWaalsContact C-N 3.31Å; K393-I395 PolarHBondContact O-N 3.48Å; I395-G398 PolarHBondContact O-N 3.18Å; I395-A399 PolarHBondContact O-N 2.95Å; I395-Q426 HydrophobicContact CG2-CB 4.06Å; I395-L430 HydrophobicContact CG2-CD1 3.45Å; I395-L430 VanDerWaalsContact CG2-CD1 3.45Å; I395-Q482 HydrophobicContact CD1-CB 4.05Å
396	L	98.9	Very high	98.8	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-64.5	-41.6	176.7	-78.4	167.8	0	0	0	112.4	I392 K393 G398 A399 L400 M434 C486 Q489 M490 P566 A568 L573	I392-L396 HydrophobicContact CG2-CD1 4.06Å; I392-L396 PolarHBondContact O-N 2.74Å; K393-L396 PolarHBondContact O-N 2.86Å; L396-G398 VanDerWaalsContact C-N 3.33Å; L396-G398 PolarHBondContact O-N 3.18Å; L396-A399 PolarHBondContact O-N 3.28Å; L396-L400 WeakPolarHBondContact O-CB 3.32Å; L396-L400 WeakPolarHBondContact O-CD1 3.47Å; L396-L400 VanDerWaalsContact O-CG 3.28Å; L396-L400 WeakPolarHBondContact O-CG 3.46Å; L396-L400 PolarHBondContact O-N 3.28Å; L396-M434 HydrophobicContact CD2-CE 4.13Å; L396-C486 HydrophobicContact CD1-CB 4.39Å; L396-C486 HydrophobicContact CD2-CB 3.87Å; L396-C486 HydrophobicContact CG-CB 3.93Å; L396-Q489 HydrophobicContact CD1-CB 3.89Å; L396-Q489 HydrophobicContact CD1-CG 4.04Å; L396-M490 HydrophobicContact CD2-CG 4.2Å; L396-M490 HydrophobicContact CD2-SD 4.42Å; L396-P566 HydrophobicContact CD2-CG 4.49Å; L396-A568 HydrophobicContact CB-CB 3.98Å; L396-L573 HydrophobicContact CD1-CD2 3.58Å
397	A	98.9	Very high	98.8	Very high	31 Å²	31	29.3 Å²	29.3	26%	0.256	14%	0.14	S	C	.	.	H	α-helix	trans	-62.4	-39	175.7	0	0	0	0	0	112	K393 R401 A568	K393-A397 WeakPolarHBondContact O-CB 3.36Å; K393-A397 PolarHBondContact O-N 3.11Å; A397-R401 WeakPolarHBondContact O-CG 3.25Å; A397-R401 PolarHBondContact O-N 2.83Å; A397-R401 VanDerWaalsContact O-N 3.08Å; A397-A568 HydrophobicContact CB-CB 3.89Å
398	G	98.9	Very high	98.7	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-62.4	-47.6	172.8	0	0	0	0	0	112.5	L394 I395 L396 L400 R401 I402	L394-G398 PolarHBondContact O-N 2.81Å; I395-G398 PolarHBondContact O-N 3.18Å; L396-G398 VanDerWaalsContact C-N 3.33Å; L396-G398 PolarHBondContact O-N 3.18Å; G398-L400 PolarHBondContact O-N 2.76Å; G398-R401 PolarHBondContact O-N 3.38Å; G398-I402 WeakPolarHBondContact O-CD1 3.44Å; G398-I402 WeakPolarHBondContact O-CG1 3.37Å; G398-I402 PolarHBondContact O-N 3.47Å; G398-I402 VanDerWaalsContact O-N 3.17Å
399	A	98.9	Very high	98.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.3	-39.6	177.3	0	0	0	0	0	112.6	I395 L396 I402 A403 L427 L430 M434	I395-A399 PolarHBondContact O-N 2.95Å; L396-A399 PolarHBondContact O-N 3.28Å; A399-I402 WeakPolarHBondContact O-CB 3.45Å; A399-I402 PolarHBondContact O-N 3.26Å; A399-A403 WeakPolarHBondContact O-CB 3.27Å; A399-A403 PolarHBondContact O-N 3.22Å; A399-L427 HydrophobicContact CB-CD2 4.49Å; A399-L430 HydrophobicContact CB-CB 3.48Å; A399-L430 VanDerWaalsContact CB-CB 3.48Å; A399-L430 HydrophobicContact CB-CD1 4.37Å; A399-M434 HydrophobicContact CB-CE 3.62Å; A399-M434 HydrophobicContact CB-SD 4.28Å
400	L	98.8	Very high	98.5	Very high	28 Å²	28	31.8 Å²	31.8	15%	0.147	17%	0.167	C	C	.	.	H	α-helix	trans	-59.2	-45.9	173.7	-80.6	162.9	0	0	0	112.5	L396 G398 I402 A403 D404 M434 Y565 P566 A568	L396-L400 WeakPolarHBondContact O-CB 3.32Å; L396-L400 WeakPolarHBondContact O-CD1 3.47Å; L396-L400 VanDerWaalsContact O-CG 3.28Å; L396-L400 WeakPolarHBondContact O-CG 3.46Å; L396-L400 PolarHBondContact O-N 3.28Å; G398-L400 PolarHBondContact O-N 2.76Å; L400-I402 VanDerWaalsContact C-N 3.27Å; L400-I402 PolarHBondContact O-N 3.03Å; L400-A403 PolarHBondContact O-N 3.04Å; L400-D404 VanDerWaalsContact O-CB 3.31Å; L400-D404 WeakPolarHBondContact O-CB 3.31Å; L400-D404 PolarHBondContact O-N 2.87Å; L400-M434 HydrophobicContact CD2-CE 4.4Å; L400-M434 HydrophobicContact CD2-SD 3.96Å; L400-M434 HydrophobicContact CG-CE 4.09Å; L400-M434 HydrophobicContact CG-SD 4.1Å; L400-Y565 HydrophobicContact CD2-CD1 3.91Å; L400-P566 HydrophobicContact CD1-CG 4.36Å; L400-P566 WeakPolarHBondContact CD1-O 3.5Å; L400-P566 HydrophobicContact CD2-CG 3.92Å; L400-P566 WeakPolarHBondContact CD2-O 3.47Å; L400-P566 HydrophobicContact CG-CG 4.22Å; L400-A568 HydrophobicContact CD1-CB 3.66Å
401	R	98.9	Very high	98.5	Very high	120 Å²	120	29.6 Å²	29.6	45%	0.453	16%	0.157	S	C	.	.	H	α-helix	trans	-64.9	-32.6	178.2	-69.9	177.9	77	-172.7	5.4	112.5	F319 V349 A397 G398 K405	F319-R401 HydrophobicContact CE1-CB 3.89Å; F319-R401 HydrophobicContact CZ-CB 4.29Å; F319-R401 WeakPolarHBondContact CZ-O 3.1Å; V349-R401 VanDerWaalsContact CG1-NH1 3.26Å; V349-R401 VanDerWaalsContact CG1-NH2 3.26Å; A397-R401 WeakPolarHBondContact O-CG 3.25Å; A397-R401 PolarHBondContact O-N 2.83Å; A397-R401 VanDerWaalsContact O-N 3.08Å; G398-R401 PolarHBondContact O-N 3.38Å; R401-K405 VanDerWaalsContact O-CB 3.28Å; R401-K405 WeakPolarHBondContact O-CB 3.49Å; R401-K405 PolarHBondContact O-N 3.13Å
402	I	98.9	Very high	98.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-69.4	-50.4	174	-68.5	164	0	0	0	109.8	V281 F319 L351 G398 A399 L400 K405 V406 V413 V415 L427 A431	V281-I402 HydrophobicContact CG2-CG2 4.44Å; F319-I402 HydrophobicContact CB-CD1 4.27Å; F319-I402 HydrophobicContact CB-CG1 4.13Å; F319-I402 HydrophobicContact CD1-CG1 4.22Å; F319-I402 HydrophobicContact CD2-CG1 3.66Å; F319-I402 HydrophobicContact CE2-CG1 4.04Å; F319-I402 HydrophobicContact CG-CD1 4.41Å; F319-I402 HydrophobicContact CG-CG1 3.74Å; F319-I402 HydrophobicContact CZ-CG1 4.47Å; L351-I402 HydrophobicContact CD1-CD1 4.42Å; G398-I402 WeakPolarHBondContact O-CD1 3.44Å; G398-I402 WeakPolarHBondContact O-CG1 3.37Å; G398-I402 PolarHBondContact O-N 3.47Å; G398-I402 VanDerWaalsContact O-N 3.17Å; A399-I402 WeakPolarHBondContact O-CB 3.45Å; A399-I402 PolarHBondContact O-N 3.26Å; L400-I402 VanDerWaalsContact C-N 3.27Å; L400-I402 PolarHBondContact O-N 3.03Å; I402-K405 PolarHBondContact O-N 2.97Å; I402-V406 WeakPolarHBondContact O-CG2 3.47Å; I402-V406 PolarHBondContact O-N 2.85Å; I402-V413 HydrophobicContact CG2-CG2 4Å; I402-V415 HydrophobicContact CD1-CG1 3.94Å; I402-V415 HydrophobicContact CD1-CG2 3.8Å; I402-V415 HydrophobicContact CG1-CG2 4.24Å; I402-V415 HydrophobicContact CG2-CG2 4.19Å; I402-L427 HydrophobicContact CD1-CB 3.76Å; I402-L427 HydrophobicContact CD1-CD1 4.23Å; I402-L427 HydrophobicContact CD1-CD2 3.99Å; I402-L427 HydrophobicContact CD1-CG 4.22Å; I402-A431 HydrophobicContact CB-CB 4.08Å; I402-A431 HydrophobicContact CG2-CB 3.57Å
403	A	98.8	Very high	98.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.9	-49.5	179.5	0	0	0	0	0	112.2	A399 L400 K405 V406 E407 A431 M434 L435	A399-A403 WeakPolarHBondContact O-CB 3.27Å; A399-A403 PolarHBondContact O-N 3.22Å; L400-A403 PolarHBondContact O-N 3.04Å; A403-K405 VanDerWaalsContact C-N 3.32Å; A403-K405 PolarHBondContact O-N 2.89Å; A403-V406 PolarHBondContact O-N 3.5Å; A403-E407 WeakPolarHBondContact O-CB 3.43Å; A403-E407 PolarHBondContact O-N 2.91Å; A403-A431 HydrophobicContact CB-CB 4.43Å; A403-M434 HydrophobicContact CB-CB 3.95Å; A403-M434 HydrophobicContact CB-SD 3.94Å; A403-L435 HydrophobicContact CB-CD1 4.44Å; A403-L435 HydrophobicContact CB-CD2 4.17Å; A403-L435 HydrophobicContact CB-CG 4.07Å
404	D	98.6	Very high	98.5	Very high	70 Å²	70	26.4 Å²	26.4	37%	0.374	14%	0.144	S	C	.	.	H	α-helix	trans	-60.3	-37.9	177.4	175.5	70.7	0	0	0	112.7	L400 V406 S408 G409 Y565	L400-D404 VanDerWaalsContact O-CB 3.31Å; L400-D404 WeakPolarHBondContact O-CB 3.31Å; L400-D404 PolarHBondContact O-N 2.87Å; D404-V406 VanDerWaalsContact C-N 3.32Å; D404-V406 PolarHBondContact O-N 2.88Å; D404-S408 WeakPolarHBondContact O-CA 3.46Å; D404-S408 VanDerWaalsContact O-CB 3.31Å; D404-S408 WeakPolarHBondContact O-CB 3.1Å; D404-S408 PolarHBondContact O-N 3Å; D404-S408 WeakPolarHBondContact OD1-CB 3.45Å; D404-S408 PolarHBondContact OD1-OG 3.31Å; D404-G409 PolarHBondContact O-N 2.85Å; D404-Y565 HydrophobicContact CB-CE1 4.08Å
405	K	98.6	Very high	98.5	Very high	50 Å²	50	24.7 Å²	24.7	22%	0.217	14%	0.135	C	C	.	.	H	α-helix	trans	-67	-34.2	178.2	-172.4	55.4	56.6	173.4	0	112.7	F317 F319 R401 I402 A403 G409 K410 T411 V413	F317-K405 HydrophobicContact CB-CG 4.03Å; F317-K405 HydrophobicContact CD1-CD 4.32Å; F317-K405 HydrophobicContact CD1-CG 4.41Å; F317-K405 HydrophobicContact CD2-CD 3.6Å; F317-K405 HydrophobicContact CD2-CG 3.96Å; F317-K405 HydrophobicContact CE1-CD 4.46Å; F317-K405 HydrophobicContact CE2-CD 3.76Å; F317-K405 HydrophobicContact CG-CD 3.9Å; F317-K405 HydrophobicContact CG-CG 3.86Å; F317-K405 HydrophobicContact CZ-CD 4.21Å; F319-K405 HydrophobicContact CE2-CB 4.23Å; F319-K405 HydrophobicContact CE2-CG 4.34Å; F319-K405 HydrophobicContact CZ-CB 4.23Å; R401-K405 VanDerWaalsContact O-CB 3.28Å; R401-K405 WeakPolarHBondContact O-CB 3.49Å; R401-K405 PolarHBondContact O-N 3.13Å; I402-K405 PolarHBondContact O-N 2.97Å; A403-K405 VanDerWaalsContact C-N 3.32Å; A403-K405 PolarHBondContact O-N 2.89Å; K405-G409 CarbonylContact O-C 3.58Å; K405-G409 VanDerWaalsContact O-CA 3.25Å; K405-G409 WeakPolarHBondContact O-CA 3.24Å; K405-K410 PolarHBondContact O-N 3.41Å; K405-T411 HydrophobicContact CD-CG2 4.09Å; K405-T411 HydrophobicContact CG-CG2 4.24Å; K405-T411 PolarHBondContact O-N 3.14Å; K405-V413 HydrophobicContact CB-CG1 4.01Å; K405-V413 HydrophobicContact CG-CG1 3.74Å
406	V	98.5	Very high	98.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-79.9	-43.6	176.9	176.7	0	0	0	0	111.7	W272 H274 A279 V281 I402 A403 D404 K410 V413 L435	W272-V406 HydrophobicContact CE3-CG1 4.32Å; W272-V406 HydrophobicContact CZ3-CG1 3.75Å; H274-V406 HydrophobicContact CB-CG1 4.34Å; A279-V406 HydrophobicContact CB-CG1 3.94Å; V281-V406 HydrophobicContact CG2-CG2 3.93Å; I402-V406 WeakPolarHBondContact O-CG2 3.47Å; I402-V406 PolarHBondContact O-N 2.85Å; A403-V406 PolarHBondContact O-N 3.5Å; D404-V406 VanDerWaalsContact C-N 3.32Å; D404-V406 PolarHBondContact O-N 2.88Å; V406-K410 VanDerWaalsContact O-CA 3.3Å; V406-K410 WeakPolarHBondContact O-CA 3.1Å; V406-K410 PolarHBondContact O-N 3.2Å; V406-V413 HydrophobicContact CG2-CB 4.39Å; V406-V413 HydrophobicContact CG2-CG1 3.8Å; V406-V413 HydrophobicContact CG2-CG2 3.64Å; V406-L435 HydrophobicContact CB-CD1 4.31Å; V406-L435 HydrophobicContact CG1-CD1 4.23Å
407	E	97.8	Very high	98.5	Very high	46 Å²	46	24.8 Å²	24.8	22%	0.215	14%	0.135	C	C	.	.	H	α-helix	trans	-81.1	-66.4	-177.4	179.3	55	-123.1	0	0	112.2	H274 A403 K410 L435 V563 Y565	H274-E407 IonicContact CD2-OE2 3.17Å; H274-E407 IonicContact NE2-OE1 2.72Å; H274-E407 IonicContact NE2-OE2 2.73Å; H274-E407 PolarHBondContact NE2-OE2 3.34Å; A403-E407 WeakPolarHBondContact O-CB 3.43Å; A403-E407 PolarHBondContact O-N 2.91Å; E407-K410 WeakPolarHBondContact O-CD 3.35Å; E407-K410 WeakPolarHBondContact O-CE 3.33Å; E407-K410 PolarHBondContact O-NZ 2.99Å; E407-K410 IonicContact OE1-NZ 2.86Å; E407-K410 PolarHBondContact OE1-NZ 3.23Å; E407-K410 IonicContact OE2-NZ 2.7Å; E407-L435 HydrophobicContact CB-CD2 3.77Å; E407-V563 HydrophobicContact CG-CB 4.45Å; E407-V563 HydrophobicContact CG-CG1 4.28Å; E407-V563 HydrophobicContact CG-CG2 3.96Å; E407-Y565 WeakPolarHBondContact CB-OH 3.46Å; E407-Y565 WeakPolarHBondContact CG-OH 3.35Å
408	S	96.5	Very high	98.4	Very high	75 Å²	75	23.8 Å²	23.8	52%	0.524	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-41.5	-178.5	-46.3	0	0	0	0	111.4	D404 Y565	D404-S408 WeakPolarHBondContact O-CA 3.46Å; D404-S408 VanDerWaalsContact O-CB 3.31Å; D404-S408 WeakPolarHBondContact O-CB 3.1Å; D404-S408 PolarHBondContact O-N 3Å; D404-S408 WeakPolarHBondContact OD1-CB 3.45Å; D404-S408 PolarHBondContact OD1-OG 3.31Å; S408-Y565 PolarHBondContact OG-OH 3.1Å
409	G	96.9	Very high	98.4	Very high	31 Å²	31	25.5 Å²	25.5	32%	0.32	14%	0.135	S	C	.	.	S	Bend	trans	-84.5	-6.7	-176.6	0	0	0	0	0	115.3	D404 K405 T411	D404-G409 PolarHBondContact O-N 2.85Å; K405-G409 CarbonylContact O-C 3.58Å; K405-G409 VanDerWaalsContact O-CA 3.25Å; K405-G409 WeakPolarHBondContact O-CA 3.24Å; G409-T411 WeakPolarHBondContact O-CB 3.34Å; G409-T411 PolarHBondContact O-N 3.35Å; G409-T411 PolarHBondContact O-OG1 3.29Å
410	K	98.1	Very high	98.4	Very high	55 Å²	55	25.5 Å²	25.5	24%	0.239	14%	0.135	C	C	.	.			trans	45.2	29.5	-177.9	-54.8	-59.3	-179.6	-160.4	0	114.2	H274 N310 Q312 K405 V406 E407	H274-K410 PolarHBondContact NE2-NZ 2.89Å; N310-K410 PolarHBondContact ND2-O 2.93Å; Q312-K410 HydrophobicContact CB-CB 4.34Å; K405-K410 PolarHBondContact O-N 3.41Å; V406-K410 VanDerWaalsContact O-CA 3.3Å; V406-K410 WeakPolarHBondContact O-CA 3.1Å; V406-K410 PolarHBondContact O-N 3.2Å; E407-K410 WeakPolarHBondContact O-CD 3.35Å; E407-K410 WeakPolarHBondContact O-CE 3.33Å; E407-K410 PolarHBondContact O-NZ 2.99Å; E407-K410 IonicContact OE1-NZ 2.86Å; E407-K410 PolarHBondContact OE1-NZ 3.23Å; E407-K410 IonicContact OE2-NZ 2.7Å
411	T	98.4	Very high	98.4	Very high	9 Å²	9	24.4 Å²	24.4	6%	0.055	13%	0.129	C	C	.	.			trans	-115.4	135.4	-168.2	-70	0	0	0	0	110.5	S313 K315 F317 K405 G409	S313-T411 WeakPolarHBondContact CB-OG1 3.34Å; S313-T411 PolarHBondContact OG-OG1 3.16Å; K315-T411 WeakPolarHBondContact O-CG2 3.35Å; F317-T411 HydrophobicContact CD2-CG2 3.77Å; F317-T411 HydrophobicContact CE2-CG2 4.43Å; K405-T411 HydrophobicContact CD-CG2 4.09Å; K405-T411 HydrophobicContact CG-CG2 4.24Å; K405-T411 PolarHBondContact O-N 3.14Å; G409-T411 WeakPolarHBondContact O-CB 3.34Å; G409-T411 PolarHBondContact O-N 3.35Å; G409-T411 PolarHBondContact O-OG1 3.29Å
412	S	98.8	Very high	98.4	Very high	2 Å²	2	19 Å²	19	1%	0.014	11%	0.109	C	C	.	.			trans	-67.9	149	175.8	-63.8	0	0	0	0	111.7	T280 N310 I316 F317	T280-S412 PolarHBondContact N-OG 3.16Å; T280-S412 VanDerWaalsContact N-OG 3.14Å; T280-S412 CarbonylContact O-C 3.12Å; T280-S412 WeakPolarHBondContact O-CA 3.47Å; T280-S412 WeakPolarHBondContact OG1-CB 3.29Å; T280-S412 PolarHBondContact OG1-OG 3.49Å; N310-S412 WeakPolarHBondContact CB-OG 3.21Å; N310-S412 PolarHBondContact ND2-N 3.28Å; N310-S412 PolarHBondContact ND2-OG 2.88Å; I316-S412 VanDerWaalsContact CG1-O 3.31Å; I316-S412 WeakPolarHBondContact CG1-O 3.35Å; F317-S412 PolarHBondContact N-O 2.97Å; F317-S412 VanDerWaalsContact N-O 3.13Å
413	V	98.9	Very high	98.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.6	-174.2	-56.4	0	0	0	0	112	T280 V281 T282 F317 F319 I402 K405 V406 V415	T280-V413 PolarHBondContact O-N 2.91Å; V281-V413 HydrophobicContact CB-CG2 4.13Å; V281-V413 HydrophobicContact CG1-CG2 4.18Å; V281-V413 HydrophobicContact CG2-CG2 3.85Å; T282-V413 PolarHBondContact N-O 3.03Å; T282-V413 PolarHBondContact OG1-O 3.13Å; F317-V413 HydrophobicContact CB-CG1 4.18Å; F317-V413 CarbonylContact O-C 3.48Å; F317-V413 VanDerWaalsContact O-CA 3.26Å; F317-V413 WeakPolarHBondContact O-CA 3.5Å; F319-V413 HydrophobicContact CD2-CB 4.13Å; F319-V413 HydrophobicContact CD2-CG1 4.23Å; F319-V413 HydrophobicContact CE2-CB 4.19Å; F319-V413 HydrophobicContact CE2-CG1 3.77Å; I402-V413 HydrophobicContact CG2-CG2 4Å; K405-V413 HydrophobicContact CB-CG1 4.01Å; K405-V413 HydrophobicContact CG-CG1 3.74Å; V406-V413 HydrophobicContact CG2-CB 4.39Å; V406-V413 HydrophobicContact CG2-CG1 3.8Å; V406-V413 HydrophobicContact CG2-CG2 3.64Å; V413-V415 HydrophobicContact CG2-CG2 4.37Å
414	V	98.9	Very high	98.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	121.3	171.4	-171.9	0	0	0	0	108.1	P268 T282 C284 L303 I316 F317 I318 F319	P268-V414 HydrophobicContact CB-CG1 4.39Å; T282-V414 WeakPolarHBondContact OG1-CA 3.13Å; C284-V414 VanDerWaalsContact SG-CG1 3.55Å; L303-V414 HydrophobicContact CD2-CG2 4.34Å; L303-V414 HydrophobicContact CG-CG2 4.29Å; I316-V414 HydrophobicContact CD1-CG2 3.58Å; I316-V414 HydrophobicContact CG1-CG2 4.19Å; F317-V414 PolarHBondContact O-N 3.36Å; I318-V414 CarbonylContact C-O 3.49Å; I318-V414 WeakPolarHBondContact CA-O 3.32Å; I318-V414 HydrophobicContact CG1-CB 4.26Å; I318-V414 HydrophobicContact CG1-CG2 4.44Å; I318-V414 HydrophobicContact CG2-CB 4.42Å; F319-V414 PolarHBondContact N-O 3.19Å
415	V	98.9	Very high	98.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122.9	-177.9	-171.6	0	0	0	0	109.6	V281 T282 R283 C284 I402 V413 T424 L427 T428	V281-V415 HydrophobicContact CG1-CG2 4.12Å; T282-V415 PolarHBondContact O-N 2.64Å; R283-V415 WeakPolarHBondContact CA-O 3.45Å; C284-V415 PolarHBondContact N-O 3.36Å; C284-V415 VanDerWaalsContact N-O 3.15Å; I402-V415 HydrophobicContact CD1-CG1 3.94Å; I402-V415 HydrophobicContact CD1-CG2 3.8Å; I402-V415 HydrophobicContact CG1-CG2 4.24Å; I402-V415 HydrophobicContact CG2-CG2 4.19Å; V413-V415 HydrophobicContact CG2-CG2 4.37Å; V415-T424 HydrophobicContact CG1-CG2 4.29Å; V415-T424 VanDerWaalsContact O-CG2 3.31Å; V415-T424 WeakPolarHBondContact O-CG2 3.49Å; V415-L427 HydrophobicContact CG1-CB 3.81Å; V415-L427 HydrophobicContact CG1-CD1 3.86Å; V415-T428 HydrophobicContact CB-CG2 4.11Å; V415-T428 HydrophobicContact CG1-CG2 4.31Å; V415-T428 HydrophobicContact CG2-CG2 4.38Å
416	H	98.9	Very high	98.4	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	178.6	177.6	75.8	96.3	0	0	0	112.9	C284 I318 F319 D320 A321 E338 T424	C284-H416 WeakPolarHBondContact O-CA 3.21Å; C284-H416 VanDerWaalsContact O-CB 3.25Å; C284-H416 WeakPolarHBondContact O-CB 3.26Å; I318-H416 WeakPolarHBondContact CG2-NE2 3.49Å; F319-H416 PolarHBondContact O-N 2.85Å; D320-H416 VanDerWaalsContact CG-CE1 3.49Å; D320-H416 IonicContact OD2-CE1 2.77Å; D320-H416 PolarHBondContact OD2-CE1 2.9Å; A321-H416 WeakPolarHBondContact CB-O 3.38Å; A321-H416 PolarHBondContact N-O 2.9Å; E338-H416 IonicContact OE2-CE1 3.49Å; E338-H416 IonicContact OE2-NE2 3.57Å; E338-H416 PolarHBondContact OE2-NE2 3.28Å; H416-T424 VanDerWaalsContact C-OG1 3.22Å; H416-T424 WeakPolarHBondContact CA-OG1 3.24Å
417	C	97.9	Very high	98.4	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.014	9%	0.086	C	C	.	.			trans	-149.4	-140.3	167.1	63.6	0	0	0	0	107	Q286 A321 R322 G420 R423 T424	Q286-C417 WeakPolarHBondContact CB-O 3.42Å; Q286-C417 PolarHBondContact N-O 3.03Å; Q286-C417 VanDerWaalsContact N-O 3.11Å; A321-C417 HydrophobicContact CB-CB 3.79Å; R322-C417 HydrophobicContact CG-CB 4.33Å; C417-G420 PolarHBondContact SG-N 2.8Å; C417-G420 VanDerWaalsContact SG-N 3.39Å; C417-R423 HydrophobicContact CB-CB 4.36Å; C417-T424 PolarHBondContact N-OG1 3.39Å; C417-T424 PolarHBondContact SG-OG1 3.05Å
418	S	98.4	Very high	98.5	Very high	10 Å²	10	12.2 Å²	12.2	7%	0.07	8%	0.075	C	C	.	.	S	Bend	trans	-68	-78.1	167.6	-68.4	0	0	0	0	111.4	S285 Q286 R322 N330	S285-S418 WeakPolarHBondContact CB-O 3.48Å; Q286-S418 WeakPolarHBondContact CG-O 3.43Å; Q286-S418 PolarHBondContact N-O 3.47Å; R322-S418 WeakPolarHBondContact CD-OG 3.28Å; R322-S418 PolarHBondContact NH1-OG 3.09Å; R322-S418 VanDerWaalsContact NH1-OG 3.16Å; N330-S418 VanDerWaalsContact CG-OG 3.31Å; N330-S418 PolarHBondContact ND2-OG 3.34Å; N330-S418 PolarHBondContact OD1-OG 3.4Å
419	D	98.3	Very high	98.6	Very high	37 Å²	37	8.7 Å²	8.7	20%	0.198	5%	0.05	C	C	.	.	S	Bend	trans	-89.2	-8.2	-174.4	-54.9	-90.1	0	0	0	114.8	R264 R266 W421	R264-D419 IonicContact CZ-OD1 3.97Å; R264-D419 IonicContact NE-OD1 3.29Å; R264-D419 PolarHBondContact NE-OD1 2.85Å; R264-D419 IonicContact NH2-OD1 3.58Å; R264-D419 PolarHBondContact NH2-OD1 3.43Å; R266-D419 WeakPolarHBondContact CD-O 3.3Å; R266-D419 PolarHBondContact NE-O 2.92Å; D419-W421 VanDerWaalsContact C-N 3.35Å; D419-W421 HydrophobicContact CB-CD2 3.68Å; D419-W421 HydrophobicContact CB-CE3 4.11Å; D419-W421 HydrophobicContact CB-CG 4.24Å; D419-W421 HydrophobicContact CB-CH2 4.04Å; D419-W421 HydrophobicContact CB-CZ2 3.55Å; D419-W421 HydrophobicContact CB-CZ3 4.29Å; D419-W421 PolarHBondContact O-N 2.85Å
420	G	98.1	Very high	98.7	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.035	C	C	.	.	S	Bend	trans	73.9	14	175.8	0	0	0	0	0	116.5	R266 R283 C284 C417	R266-G420 PolarHBondContact NH2-O 3.18Å; R283-G420 PolarHBondContact NH2-O 3.28Å; C284-G420 VanDerWaalsContact O-CA 3.29Å; C284-G420 WeakPolarHBondContact O-CA 3.31Å; C417-G420 PolarHBondContact SG-N 2.8Å; C417-G420 VanDerWaalsContact SG-N 3.39Å
421	W	98.4	Very high	98.7	Very high	5 Å²	5	4.6 Å²	4.6	2%	0.019	2%	0.024	C	C	.	.	S	Bend	trans	-122.2	-8.9	-178.8	60.4	47.3	0	0	0	115.6	T239 R264 D419 G457 H458 R459	T239-W421 HydrophobicContact CG2-CZ3 4.26Å; R264-W421 VanDerWaalsContact CD-CZ3 3.4Å; R264-W421 VanDerWaalsContact CZ-CH2 3.44Å; D419-W421 VanDerWaalsContact C-N 3.35Å; D419-W421 HydrophobicContact CB-CD2 3.68Å; D419-W421 HydrophobicContact CB-CE3 4.11Å; D419-W421 HydrophobicContact CB-CG 4.24Å; D419-W421 HydrophobicContact CB-CH2 4.04Å; D419-W421 HydrophobicContact CB-CZ2 3.55Å; D419-W421 HydrophobicContact CB-CZ3 4.29Å; D419-W421 PolarHBondContact O-N 2.85Å; W421-G457 WeakPolarHBondContact CB-O 3.34Å; W421-H458 PolarHBondContact O-ND1 2.99Å; W421-R459 HydrophobicContact CD2-CG 4.14Å; W421-R459 HydrophobicContact CE3-CG 4.38Å; W421-R459 HydrophobicContact CG-CG 4.5Å; W421-R459 VanDerWaalsContact CZ2-CD 3.4Å; W421-R459 HydrophobicContact CZ2-CG 4.47Å
422	D	98.8	Very high	98.8	Very high	7 Å²	7	4.1 Å²	4.1	4%	0.037	2%	0.021	C	C	.	.	S	Bend	trans	-104.4	-94.3	179.8	-70.8	-51.8	0	0	0	109.5	T424 A425 Q426 H458 R463 V479	D422-T424 PolarHBondContact O-N 3.43Å; D422-A425 WeakPolarHBondContact O-CB 3.31Å; D422-A425 PolarHBondContact O-N 3.08Å; D422-Q426 PolarHBondContact O-N 3.42Å; D422-H458 IonicContact OD1-CE1 3.42Å; D422-H458 PolarHBondContact OD1-CE1 3.38Å; D422-H458 IonicContact OD1-ND1 3.94Å; D422-R463 IonicContact OD1-CZ 3.14Å; D422-R463 IonicContact OD1-NE 3.89Å; D422-R463 PolarHBondContact OD1-NE 3.24Å; D422-R463 IonicContact OD1-NH2 3.13Å; D422-R463 IonicContact OD2-CZ 2.79Å; D422-R463 IonicContact OD2-NE 3.76Å; D422-R463 IonicContact OD2-NH2 3.36Å; D422-R463 PolarHBondContact OD2-NH2 2.99Å; D422-V479 HydrophobicContact CB-CG1 3.96Å; D422-V479 HydrophobicContact CB-CG2 4.41Å
423	R	98.9	Very high	98.8	Very high	23 Å²	23	4 Å²	4	9%	0.087	2%	0.02	C	C	.	.	H	α-helix	trans	-57.5	-33.3	179.6	-66.5	162.5	-75.5	-162.9	-3.5	113.9	A321 I353 H354 C417 A425 Q426 L427	A321-R423 HydrophobicContact CB-CB 3.53Å; A321-R423 HydrophobicContact CB-CG 4.36Å; I353-R423 HydrophobicContact CB-CG 4.3Å; I353-R423 HydrophobicContact CG2-CG 3.75Å; I353-R423 VanDerWaalsContact O-CD 3.26Å; I353-R423 WeakPolarHBondContact O-CD 3.4Å; I353-R423 PolarHBondContact O-NH1 2.98Å; H354-R423 WeakPolarHBondContact O-CD 3.28Å; H354-R423 PolarHBondContact O-NH1 2.62Å; C417-R423 HydrophobicContact CB-CB 4.36Å; R423-A425 VanDerWaalsContact C-N 3.3Å; R423-A425 PolarHBondContact O-N 3.12Å; R423-Q426 WeakPolarHBondContact O-CB 3.49Å; R423-Q426 PolarHBondContact O-N 3.2Å; R423-L427 WeakPolarHBondContact O-CB 3.39Å; R423-L427 VanDerWaalsContact O-CG 3.29Å; R423-L427 WeakPolarHBondContact O-CG 3.01Å; R423-L427 PolarHBondContact O-N 3.24Å
424	T	98.9	Very high	98.7	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-62.6	-37.3	174.5	-55.5	0	0	0	0	111.9	R283 V415 H416 C417 D422 T428	R283-T424 HydrophobicContact CB-CG2 3.83Å; V415-T424 HydrophobicContact CG1-CG2 4.29Å; V415-T424 VanDerWaalsContact O-CG2 3.31Å; V415-T424 WeakPolarHBondContact O-CG2 3.49Å; H416-T424 VanDerWaalsContact C-OG1 3.22Å; H416-T424 WeakPolarHBondContact CA-OG1 3.24Å; C417-T424 PolarHBondContact N-OG1 3.39Å; C417-T424 PolarHBondContact SG-OG1 3.05Å; D422-T424 PolarHBondContact O-N 3.43Å; T424-T428 HydrophobicContact CG2-CG2 4.39Å; T424-T428 WeakPolarHBondContact O-CB 3.48Å; T424-T428 WeakPolarHBondContact O-CG2 3.45Å; T424-T428 PolarHBondContact O-N 3.04Å; T424-T428 PolarHBondContact O-OG1 3.03Å
425	A	98.9	Very high	98.7	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-69.4	-41.9	174.9	0	0	0	0	0	111	D422 R423 T428 S429 W453	D422-A425 WeakPolarHBondContact O-CB 3.31Å; D422-A425 PolarHBondContact O-N 3.08Å; R423-A425 VanDerWaalsContact C-N 3.3Å; R423-A425 PolarHBondContact O-N 3.12Å; A425-T428 PolarHBondContact O-OG1 2.89Å; A425-S429 WeakPolarHBondContact O-CB 3.28Å; A425-S429 PolarHBondContact O-N 3.42Å; A425-S429 VanDerWaalsContact O-N 3.1Å; A425-S429 PolarHBondContact O-OG 3.48Å; A425-W453 HydrophobicContact CB-CD2 3.87Å; A425-W453 HydrophobicContact CB-CE3 3.9Å; A425-W453 HydrophobicContact CB-CH2 4.13Å; A425-W453 HydrophobicContact CB-CZ2 4.05Å; A425-W453 HydrophobicContact CB-CZ3 4.04Å
426	Q	98.9	Very high	98.7	Very high	1 Å²	1	5.5 Å²	5.5	1%	0.005	3%	0.028	C	C	.	.	H	α-helix	trans	-55	-54.1	172.7	-64.3	173.8	-41.8	0	0	111.3	I395 D422 R423 S429 L430 W453 V479 F483	I395-Q426 HydrophobicContact CG2-CB 4.06Å; D422-Q426 PolarHBondContact O-N 3.42Å; R423-Q426 WeakPolarHBondContact O-CB 3.49Å; R423-Q426 PolarHBondContact O-N 3.2Å; Q426-S429 PolarHBondContact O-OG 2.9Å; Q426-L430 VanDerWaalsContact O-CB 3.3Å; Q426-L430 WeakPolarHBondContact O-CB 3.49Å; Q426-L430 WeakPolarHBondContact O-CD1 3.46Å; Q426-L430 WeakPolarHBondContact O-CG 3.4Å; Q426-L430 PolarHBondContact O-N 3.25Å; Q426-W453 HydrophobicContact CB-CH2 4.46Å; Q426-W453 HydrophobicContact CB-CZ2 4.47Å; Q426-W453 HydrophobicContact CG-CH2 3.58Å; Q426-W453 HydrophobicContact CG-CZ2 4.03Å; Q426-V479 HydrophobicContact CG-CG1 4.05Å; Q426-V479 PolarHBondContact NE2-O 3.07Å; Q426-F483 HydrophobicContact CG-CB 4.4Å
427	L	99	Very high	98.6	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-65.7	-47.1	-174.9	-73	171.9	0	0	0	113.6	A321 L351 I353 A399 I402 V415 R423 A431	A321-L427 HydrophobicContact CB-CD1 3.53Å; L351-L427 HydrophobicContact CD1-CD1 3.64Å; L351-L427 HydrophobicContact CD1-CD2 3.94Å; L351-L427 HydrophobicContact CD1-CG 4.47Å; I353-L427 HydrophobicContact CD1-CD1 4.18Å; I353-L427 HydrophobicContact CD1-CD2 3.79Å; I353-L427 HydrophobicContact CD1-CG 4.13Å; A399-L427 HydrophobicContact CB-CD2 4.49Å; I402-L427 HydrophobicContact CD1-CB 3.76Å; I402-L427 HydrophobicContact CD1-CD1 4.23Å; I402-L427 HydrophobicContact CD1-CD2 3.99Å; I402-L427 HydrophobicContact CD1-CG 4.22Å; V415-L427 HydrophobicContact CG1-CB 3.81Å; V415-L427 HydrophobicContact CG1-CD1 3.86Å; R423-L427 WeakPolarHBondContact O-CB 3.39Å; R423-L427 VanDerWaalsContact O-CG 3.29Å; R423-L427 WeakPolarHBondContact O-CG 3.01Å; R423-L427 PolarHBondContact O-N 3.24Å; L427-A431 VanDerWaalsContact O-CB 3.31Å; L427-A431 WeakPolarHBondContact O-CB 3.26Å; L427-A431 PolarHBondContact O-N 2.8Å
428	T	98.9	Very high	98.6	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-63.5	-51.6	179.8	46.2	0	0	0	0	111.1	V281 R283 V415 T424 A425 L430 A431 M432 E452	V281-T428 HydrophobicContact CG1-CG2 4.06Å; R283-T428 HydrophobicContact CB-CG2 3.98Å; R283-T428 PolarHBondContact NH1-OG1 3.21Å; V415-T428 HydrophobicContact CB-CG2 4.11Å; V415-T428 HydrophobicContact CG1-CG2 4.31Å; V415-T428 HydrophobicContact CG2-CG2 4.38Å; T424-T428 HydrophobicContact CG2-CG2 4.39Å; T424-T428 WeakPolarHBondContact O-CB 3.48Å; T424-T428 WeakPolarHBondContact O-CG2 3.45Å; T424-T428 PolarHBondContact O-N 3.04Å; T424-T428 PolarHBondContact O-OG1 3.03Å; A425-T428 PolarHBondContact O-OG1 2.89Å; T428-L430 PolarHBondContact O-N 3.3Å; T428-A431 PolarHBondContact O-N 2.64Å; T428-M432 WeakPolarHBondContact O-CB 3.49Å; T428-M432 WeakPolarHBondContact O-CG 3.44Å; T428-M432 PolarHBondContact O-N 3.36Å; T428-E452 PolarHBondContact OG1-OE2 3.34Å
429	S	98.9	Very high	98.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-65.1	-37.4	-178.4	60.8	0	0	0	0	113.2	A425 Q426 M432 L433 W453 F483	A425-S429 WeakPolarHBondContact O-CB 3.28Å; A425-S429 PolarHBondContact O-N 3.42Å; A425-S429 VanDerWaalsContact O-N 3.1Å; A425-S429 PolarHBondContact O-OG 3.48Å; Q426-S429 PolarHBondContact O-OG 2.9Å; S429-M432 PolarHBondContact O-N 2.94Å; S429-L433 WeakPolarHBondContact O-CG 3.49Å; S429-L433 PolarHBondContact O-N 3.07Å; S429-W453 PolarHBondContact OG-NE1 3.12Å; S429-W453 VanDerWaalsContact OG-NE1 3.07Å; S429-F483 WeakPolarHBondContact OG-CD2 3.39Å; S429-F483 WeakPolarHBondContact OG-CE2 2.94Å
430	L	99	Very high	98.6	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-68.8	-42.8	174.5	-70.5	169.3	0	0	0	112.5	I395 A399 Q426 T428 M432 L433 M434 F483 C486 V487 M490	I395-L430 HydrophobicContact CG2-CD1 3.45Å; I395-L430 VanDerWaalsContact CG2-CD1 3.45Å; A399-L430 HydrophobicContact CB-CB 3.48Å; A399-L430 VanDerWaalsContact CB-CB 3.48Å; A399-L430 HydrophobicContact CB-CD1 4.37Å; Q426-L430 VanDerWaalsContact O-CB 3.3Å; Q426-L430 WeakPolarHBondContact O-CB 3.49Å; Q426-L430 WeakPolarHBondContact O-CD1 3.46Å; Q426-L430 WeakPolarHBondContact O-CG 3.4Å; Q426-L430 PolarHBondContact O-N 3.25Å; T428-L430 PolarHBondContact O-N 3.3Å; L430-M432 VanDerWaalsContact C-N 3.29Å; L430-M432 PolarHBondContact O-N 2.69Å; L430-L433 HydrophobicContact CD2-CD1 4.45Å; L430-L433 PolarHBondContact O-N 3.43Å; L430-M434 HydrophobicContact CB-CE 4.44Å; L430-M434 WeakPolarHBondContact O-CG 3.34Å; L430-M434 PolarHBondContact O-N 3.11Å; L430-F483 HydrophobicContact CD2-CD2 3.92Å; L430-F483 HydrophobicContact CD2-CE2 4.02Å; L430-F483 HydrophobicContact CG-CD2 3.91Å; L430-F483 HydrophobicContact CG-CE2 4.18Å; L430-C486 HydrophobicContact CD1-CB 3.63Å; L430-C486 HydrophobicContact CD2-CB 3.66Å; L430-C486 HydrophobicContact CG-CB 4.31Å; L430-V487 HydrophobicContact CD2-CG2 4Å; L430-M490 HydrophobicContact CD2-CE 3.59Å
431	A	98.9	Very high	98.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-63.1	-38.4	174.8	0	0	0	0	0	111.3	I402 A403 L427 T428 L433 M434 L435	I402-A431 HydrophobicContact CB-CB 4.08Å; I402-A431 HydrophobicContact CG2-CB 3.57Å; A403-A431 HydrophobicContact CB-CB 4.43Å; L427-A431 VanDerWaalsContact O-CB 3.31Å; L427-A431 WeakPolarHBondContact O-CB 3.26Å; L427-A431 PolarHBondContact O-N 2.8Å; T428-A431 PolarHBondContact O-N 2.64Å; A431-L433 PolarHBondContact O-N 2.79Å; A431-M434 WeakPolarHBondContact O-CB 3.48Å; A431-M434 PolarHBondContact O-N 3.02Å; A431-L435 WeakPolarHBondContact O-CB 3.29Å; A431-L435 WeakPolarHBondContact O-CD1 3.45Å; A431-L435 WeakPolarHBondContact O-CG 3.41Å; A431-L435 PolarHBondContact O-N 3.43Å
432	M	98.9	Very high	98.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.6	-36.7	175.3	-72.7	162.8	66.1	0	0	112.6	W272 T428 S429 L430 L435 D436 Y439 L448 K451 E452	W272-M432 HydrophobicContact CB-CE 4.36Å; W272-M432 HydrophobicContact CB-CG 3.8Å; W272-M432 HydrophobicContact CB-SD 4.19Å; W272-M432 HydrophobicContact CG-CG 4.19Å; T428-M432 WeakPolarHBondContact O-CB 3.49Å; T428-M432 WeakPolarHBondContact O-CG 3.44Å; T428-M432 PolarHBondContact O-N 3.36Å; S429-M432 PolarHBondContact O-N 2.94Å; L430-M432 VanDerWaalsContact C-N 3.29Å; L430-M432 PolarHBondContact O-N 2.69Å; M432-L435 PolarHBondContact O-N 2.96Å; M432-D436 PolarHBondContact O-N 3.27Å; M432-Y439 HydrophobicContact CB-CD2 3.86Å; M432-Y439 HydrophobicContact CB-CE2 3.86Å; M432-Y439 HydrophobicContact CE-CD2 4.43Å; M432-Y439 HydrophobicContact CE-CE1 4.29Å; M432-Y439 HydrophobicContact CE-CE2 3.54Å; M432-Y439 VanDerWaalsContact CE-CZ 3.42Å; M432-Y439 WeakPolarHBondContact CE-OH 3.48Å; M432-Y439 HydrophobicContact CG-CE2 4.35Å; M432-L448 HydrophobicContact CB-CD1 4.08Å; M432-L448 HydrophobicContact CE-CD1 3.63Å; M432-L448 HydrophobicContact SD-CD1 4.29Å; M432-K451 HydrophobicContact CE-CD 4.49Å; M432-E452 HydrophobicContact CE-CG 3.75Å; M432-E452 HydrophobicContact SD-CG 3.73Å
433	L	98.8	Very high	98.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-67.5	-34.2	172.3	-73.6	164.2	0	0	0	113.2	S429 L430 A431 Y439 R440 F445 L448 F483 V487 M490 F498	S429-L433 WeakPolarHBondContact O-CG 3.49Å; S429-L433 PolarHBondContact O-N 3.07Å; L430-L433 HydrophobicContact CD2-CD1 4.45Å; L430-L433 PolarHBondContact O-N 3.43Å; A431-L433 PolarHBondContact O-N 2.79Å; L433-Y439 WeakPolarHBondContact CD2-O 3.43Å; L433-R440 HydrophobicContact CD2-CG 4.14Å; L433-R440 VanDerWaalsContact O-CD 3.25Å; L433-R440 WeakPolarHBondContact O-CD 3.22Å; L433-R440 PolarHBondContact O-NE 2.89Å; L433-F445 HydrophobicContact CD1-CD2 4.36Å; L433-F445 HydrophobicContact CD1-CE2 3.92Å; L433-F445 HydrophobicContact CD2-CD2 3.89Å; L433-F445 HydrophobicContact CD2-CE2 4.29Å; L433-L448 HydrophobicContact CD1-CD2 3.73Å; L433-L448 HydrophobicContact CD2-CD2 3.75Å; L433-L448 HydrophobicContact CG-CD2 3.49Å; L433-L448 VanDerWaalsContact CG-CD2 3.49Å; L433-F483 HydrophobicContact CD1-CE2 4.05Å; L433-F483 HydrophobicContact CD1-CZ 4.26Å; L433-V487 HydrophobicContact CD1-CG2 3.69Å; L433-M490 HydrophobicContact CB-CE 3.95Å; L433-M490 HydrophobicContact CD1-CE 3.92Å; L433-F498 HydrophobicContact CD2-CE1 4.32Å
434	M	98.8	Very high	98.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-66.5	-44.8	173.5	-68.2	171.7	-162	0	0	110.7	L396 A399 L400 A403 L430 A431 M490 V563 L564 P566	L396-M434 HydrophobicContact CD2-CE 4.13Å; A399-M434 HydrophobicContact CB-CE 3.62Å; A399-M434 HydrophobicContact CB-SD 4.28Å; L400-M434 HydrophobicContact CD2-CE 4.4Å; L400-M434 HydrophobicContact CD2-SD 3.96Å; L400-M434 HydrophobicContact CG-CE 4.09Å; L400-M434 HydrophobicContact CG-SD 4.1Å; A403-M434 HydrophobicContact CB-CB 3.95Å; A403-M434 HydrophobicContact CB-SD 3.94Å; L430-M434 HydrophobicContact CB-CE 4.44Å; L430-M434 WeakPolarHBondContact O-CG 3.34Å; L430-M434 PolarHBondContact O-N 3.11Å; A431-M434 WeakPolarHBondContact O-CB 3.48Å; A431-M434 PolarHBondContact O-N 3.02Å; M434-M490 HydrophobicContact CE-SD 3.93Å; M434-M490 HydrophobicContact CG-SD 4.07Å; M434-V563 CarbonylContact O-C 3.51Å; M434-V563 WeakPolarHBondContact O-CA 3.33Å; M434-L564 VanDerWaalsContact CB-O 3.29Å; M434-L564 WeakPolarHBondContact CB-O 3.35Å; M434-L564 WeakPolarHBondContact CG-O 3.41Å; M434-L564 PolarHBondContact O-N 3.25Å; M434-P566 HydrophobicContact CE-CG 3.75Å; M434-P566 HydrophobicContact SD-CG 4.44Å
435	L	98.6	Very high	98.6	Very high	9 Å²	9	13.2 Å²	13.2	5%	0.047	6%	0.063	C	C	.	.	H	α-helix	trans	-83.3	-37.5	-171.2	-67.7	165.8	0	0	0	114.9	W272 V281 A403 V406 E407 A431 M432 V563	W272-L435 HydrophobicContact CE3-CD1 3.88Å; W272-L435 HydrophobicContact CH2-CB 3.75Å; W272-L435 HydrophobicContact CH2-CD1 4.27Å; W272-L435 HydrophobicContact CH2-CD2 4.46Å; W272-L435 HydrophobicContact CH2-CG 4.38Å; W272-L435 HydrophobicContact CZ2-CB 3.98Å; W272-L435 HydrophobicContact CZ3-CB 4.07Å; W272-L435 HydrophobicContact CZ3-CD1 3.71Å; W272-L435 HydrophobicContact CZ3-CD2 4.44Å; W272-L435 HydrophobicContact CZ3-CG 4.3Å; V281-L435 HydrophobicContact CG2-CD1 4.39Å; A403-L435 HydrophobicContact CB-CD1 4.44Å; A403-L435 HydrophobicContact CB-CD2 4.17Å; A403-L435 HydrophobicContact CB-CG 4.07Å; V406-L435 HydrophobicContact CB-CD1 4.31Å; V406-L435 HydrophobicContact CG1-CD1 4.23Å; E407-L435 HydrophobicContact CB-CD2 3.77Å; A431-L435 WeakPolarHBondContact O-CB 3.29Å; A431-L435 WeakPolarHBondContact O-CD1 3.45Å; A431-L435 WeakPolarHBondContact O-CG 3.41Å; A431-L435 PolarHBondContact O-N 3.43Å; M432-L435 PolarHBondContact O-N 2.96Å; L435-V563 HydrophobicContact CD2-CG1 4.37Å
436	D	98.2	Very high	98.6	Very high	22 Å²	22	13.2 Å²	13.2	12%	0.118	6%	0.063	C	C	.	.			trans	-123.7	112.3	-166.6	-172.4	-15.6	0	0	0	111.9	R217 W272 M432 Y438 Y439	R217-D436 IonicContact CZ-OD2 3.38Å; R217-D436 VanDerWaalsContact CZ-OD2 3.26Å; R217-D436 IonicContact NH1-OD1 3.56Å; R217-D436 PolarHBondContact NH1-OD1 2.81Å; R217-D436 IonicContact NH1-OD2 2.74Å; R217-D436 PolarHBondContact NH1-OD2 3.24Å; R217-D436 IonicContact NH2-OD2 2.75Å; R217-D436 PolarHBondContact NH2-OD2 3.29Å; W272-D436 HydrophobicContact CZ2-CB 4Å; W272-D436 PolarHBondContact NE1-OD2 3.24Å; M432-D436 PolarHBondContact O-N 3.27Å; D436-Y438 PolarHBondContact O-N 3.31Å; D436-Y438 VanDerWaalsContact OD1-CB 3.23Å; D436-Y438 WeakPolarHBondContact OD1-CB 3.27Å; D436-Y438 PolarHBondContact OD1-N 2.86Å; D436-Y439 HydrophobicContact CB-CD2 3.78Å; D436-Y439 HydrophobicContact CB-CE2 4.02Å; D436-Y439 PolarHBondContact O-N 2.81Å
437	G	97.1	Very high	98.6	Very high	22 Å²	22	13.3 Å²	13.3	23%	0.227	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-61.9	-20	-179.7	0	0	0	0	0	114.7	Y439 R440	G437-Y439 PolarHBondContact O-N 2.72Å; G437-R440 PolarHBondContact O-N 3.47Å
438	Y	97.8	Very high	98.6	Very high	71 Å²	71	13.3 Å²	13.3	28%	0.278	6%	0.064	S	C	.	.	G	3₁₀ helix	trans	-58.3	-48.2	173.5	169.3	-109.2	0	0	0	111.4	E214 R217 D436 R440 T441 G444 V447	E214-Y438 VanDerWaalsContact OE2-CE1 3.25Å; E214-Y438 WeakPolarHBondContact OE2-CE1 3.46Å; R217-Y438 VanDerWaalsContact NH1-CB 3.35Å; D436-Y438 PolarHBondContact O-N 3.31Å; D436-Y438 VanDerWaalsContact OD1-CB 3.23Å; D436-Y438 WeakPolarHBondContact OD1-CB 3.27Å; D436-Y438 PolarHBondContact OD1-N 2.86Å; Y438-R440 PolarHBondContact O-N 2.74Å; Y438-T441 WeakPolarHBondContact O-CB 3.36Å; Y438-T441 PolarHBondContact O-N 2.92Å; Y438-T441 PolarHBondContact O-OG1 2.86Å; Y438-G444 WeakPolarHBondContact O-CA 3.36Å; Y438-V447 HydrophobicContact CE1-CB 4.41Å; Y438-V447 HydrophobicContact CE1-CG1 4.08Å
439	Y	98.8	Very high	98.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-68	-8	-178.1	-59.6	-57	0	0	0	113.8	E214 R217 Q218 W272 M432 L433 D436 G437 G444 F445 L448	E214-Y439 PolarHBondContact OE1-OH 3.28Å; R217-Y439 PolarHBondContact NH2-OH 3.22Å; Q218-Y439 PolarHBondContact NE2-OH 3.37Å; W272-Y439 AromaticContact CD1-CE2 3.92Å; M432-Y439 HydrophobicContact CB-CD2 3.86Å; M432-Y439 HydrophobicContact CB-CE2 3.86Å; M432-Y439 HydrophobicContact CE-CD2 4.43Å; M432-Y439 HydrophobicContact CE-CE1 4.29Å; M432-Y439 HydrophobicContact CE-CE2 3.54Å; M432-Y439 VanDerWaalsContact CE-CZ 3.42Å; M432-Y439 WeakPolarHBondContact CE-OH 3.48Å; M432-Y439 HydrophobicContact CG-CE2 4.35Å; L433-Y439 WeakPolarHBondContact CD2-O 3.43Å; D436-Y439 HydrophobicContact CB-CD2 3.78Å; D436-Y439 HydrophobicContact CB-CE2 4.02Å; D436-Y439 PolarHBondContact O-N 2.81Å; G437-Y439 PolarHBondContact O-N 2.72Å; Y439-G444 WeakPolarHBondContact CD1-O 3.27Å; Y439-F445 WeakPolarHBondContact O-CA 3.19Å; Y439-F445 WeakPolarHBondContact O-CB 3.07Å; Y439-F445 PolarHBondContact O-N 3.07Å; Y439-L448 HydrophobicContact CD1-CB 3.77Å; Y439-L448 HydrophobicContact CD1-CD1 3.92Å; Y439-L448 HydrophobicContact CD1-CG 4.37Å; Y439-L448 HydrophobicContact CD2-CD1 4.26Å; Y439-L448 HydrophobicContact CE1-CB 4.32Å; Y439-L448 HydrophobicContact CE1-CD1 4.05Å; Y439-L448 HydrophobicContact CE2-CD1 4.42Å; Y439-L448 HydrophobicContact CG-CB 4.3Å; Y439-L448 HydrophobicContact CG-CD1 4.02Å
440	R	98.4	Very high	98.6	Very high	10 Å²	10	14.2 Å²	14.2	4%	0.038	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-91.3	-6.1	175.1	-56.2	-168.3	-94.6	109.9	-8.2	113.3	L433 G437 Y438 A497 F498 E499 H562 L564	L433-R440 HydrophobicContact CD2-CG 4.14Å; L433-R440 VanDerWaalsContact O-CD 3.25Å; L433-R440 WeakPolarHBondContact O-CD 3.22Å; L433-R440 PolarHBondContact O-NE 2.89Å; G437-R440 PolarHBondContact O-N 3.47Å; Y438-R440 PolarHBondContact O-N 2.74Å; R440-A497 WeakPolarHBondContact CB-O 3.48Å; R440-A497 PolarHBondContact NH1-O 2.76Å; R440-F498 HydrophobicContact CB-CD1 3.73Å; R440-F498 HydrophobicContact CB-CE1 4.11Å; R440-F498 HydrophobicContact CB-CG 4.43Å; R440-F498 HydrophobicContact CG-CD1 3.78Å; R440-F498 HydrophobicContact CG-CE1 3.61Å; R440-F498 HydrophobicContact CG-CZ 4.37Å; R440-F498 WeakPolarHBondContact O-CA 3.36Å; R440-E499 PolarHBondContact O-N 3.15Å; R440-H562 PolarHBondContact NH2-O 2.72Å; R440-L564 VanDerWaalsContact CD-CD1 3.49Å
441	T	98	Very high	98.6	Very high	27 Å²	27	14.2 Å²	14.2	17%	0.166	7%	0.068	C	C	.	.	S	Bend	trans	-73.9	160.6	163.3	65.9	0	0	0	0	110.6	Y438 G444 F445 E499	Y438-T441 WeakPolarHBondContact O-CB 3.36Å; Y438-T441 PolarHBondContact O-N 2.92Å; Y438-T441 PolarHBondContact O-OG1 2.86Å; T441-G444 WeakPolarHBondContact OG1-CA 3.5Å; T441-G444 PolarHBondContact OG1-N 3.43Å; T441-F445 WeakPolarHBondContact O-CB 3.47Å; T441-F445 PolarHBondContact O-N 3.25Å; T441-E499 VanDerWaalsContact CA-OE2 3.31Å; T441-E499 WeakPolarHBondContact CA-OE2 3.32Å; T441-E499 VanDerWaalsContact CB-OE2 3.26Å; T441-E499 WeakPolarHBondContact CB-OE2 3.42Å
442	I	98.6	Very high	98.6	Very high	6 Å²	6	14.2 Å²	14.2	3%	0.031	7%	0.068	C	C	.	.	H	α-helix	trans	-55.8	-60.4	173.5	-69.8	164.9	0	0	0	108.8	G444 F445 E446 E499 F500 F504 I544	I442-G444 VanDerWaalsContact C-N 3.3Å; I442-G444 PolarHBondContact O-N 3.4Å; I442-F445 WeakPolarHBondContact O-CB 3.14Å; I442-F445 PolarHBondContact O-N 3.48Å; I442-F445 VanDerWaalsContact O-N 3.09Å; I442-E446 WeakPolarHBondContact O-CG 3.35Å; I442-E446 PolarHBondContact O-N 3.47Å; I442-E499 HydrophobicContact CD1-CG 4.03Å; I442-E499 HydrophobicContact CG1-CB 4.29Å; I442-E499 HydrophobicContact CG1-CG 4.01Å; I442-E499 PolarHBondContact N-OE2 2.68Å; I442-F500 HydrophobicContact CG1-CB 3.91Å; I442-F504 HydrophobicContact CG2-CE2 4Å; I442-I544 HydrophobicContact CG2-CG2 4.37Å
443	R	98.7	Very high	98.6	Very high	109 Å²	109	14.2 Å²	14.2	41%	0.411	7%	0.068	S	C	.	.	H	α-helix	trans	-62.3	-36	-176.7	-58.9	-167	80.2	138.2	20.4	112.8	E203 L208 V447	E203-R443 IonicContact OE1-NH1 2.79Å; E203-R443 IonicContact OE2-CZ 3.73Å; E203-R443 IonicContact OE2-NH1 3.26Å; E203-R443 PolarHBondContact OE2-NH1 3.16Å; E203-R443 IonicContact OE2-NH2 3.4Å; E203-R443 PolarHBondContact OE2-NH2 3.43Å; L208-R443 HydrophobicContact CD1-CB 4.1Å; L208-R443 HydrophobicContact CD1-CG 4.3Å; L208-R443 VanDerWaalsContact CD1-NE 3.31Å; R443-V447 WeakPolarHBondContact O-CB 3.48Å; R443-V447 WeakPolarHBondContact O-CG2 3.42Å; R443-V447 PolarHBondContact O-N 2.97Å
444	G	98.8	Very high	98.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-68.1	-38.8	175.3	0	0	0	0	0	112.6	Y438 Y439 T441 I442 V447 L448	Y438-G444 WeakPolarHBondContact O-CA 3.36Å; Y439-G444 WeakPolarHBondContact CD1-O 3.27Å; T441-G444 WeakPolarHBondContact OG1-CA 3.5Å; T441-G444 PolarHBondContact OG1-N 3.43Å; I442-G444 VanDerWaalsContact C-N 3.3Å; I442-G444 PolarHBondContact O-N 3.4Å; G444-V447 PolarHBondContact O-N 3.17Å; G444-L448 WeakPolarHBondContact O-CB 3.44Å; G444-L448 PolarHBondContact O-N 2.79Å
445	F	98.9	Very high	98.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.5	-42	174.7	-170.6	-88.6	0	0	0	112.1	L433 Y439 T441 I442 V447 L448 V449 F483 I484 V487 F500 F504 L505 I508	L433-F445 HydrophobicContact CD1-CD2 4.36Å; L433-F445 HydrophobicContact CD1-CE2 3.92Å; L433-F445 HydrophobicContact CD2-CD2 3.89Å; L433-F445 HydrophobicContact CD2-CE2 4.29Å; Y439-F445 WeakPolarHBondContact O-CA 3.19Å; Y439-F445 WeakPolarHBondContact O-CB 3.07Å; Y439-F445 PolarHBondContact O-N 3.07Å; T441-F445 WeakPolarHBondContact O-CB 3.47Å; T441-F445 PolarHBondContact O-N 3.25Å; I442-F445 WeakPolarHBondContact O-CB 3.14Å; I442-F445 PolarHBondContact O-N 3.48Å; I442-F445 VanDerWaalsContact O-N 3.09Å; F445-V447 VanDerWaalsContact C-N 3.34Å; F445-V447 PolarHBondContact O-N 2.61Å; F445-L448 HydrophobicContact CD2-CD2 4.5Å; F445-L448 VanDerWaalsContact O-CB 3.32Å; F445-L448 WeakPolarHBondContact O-CB 3.5Å; F445-L448 PolarHBondContact O-N 2.9Å; F445-L448 VanDerWaalsContact O-N 3.16Å; F445-V449 HydrophobicContact CD1-CG2 4.14Å; F445-V449 HydrophobicContact CE1-CG2 3.82Å; F445-V449 HydrophobicContact CZ-CG2 4.46Å; F445-V449 WeakPolarHBondContact O-CG2 3.44Å; F445-V449 PolarHBondContact O-N 2.67Å; F445-F483 HydrophobicContact CE1-CE1 4.47Å; F445-F483 HydrophobicContact CE2-CE1 4.37Å; F445-F483 AromaticContact CE2-CZ 3.91Å; F445-F483 HydrophobicContact CE2-CZ 3.91Å; F445-F483 AromaticContact CZ-CE1 3.72Å; F445-F483 HydrophobicContact CZ-CE1 3.72Å; F445-F483 AromaticContact CZ-CZ 3.74Å; F445-F483 HydrophobicContact CZ-CZ 3.74Å; F445-I484 HydrophobicContact CE1-CD1 4.11Å; F445-I484 HydrophobicContact CZ-CD1 3.86Å; F445-V487 HydrophobicContact CE2-CB 4.35Å; F445-V487 HydrophobicContact CE2-CG1 3.7Å; F445-V487 HydrophobicContact CE2-CG2 3.78Å; F445-V487 HydrophobicContact CZ-CG1 4.12Å; F445-V487 HydrophobicContact CZ-CG2 4.05Å; F445-F500 HydrophobicContact CB-CD1 3.93Å; F445-F500 HydrophobicContact CB-CE1 3.62Å; F445-F500 HydrophobicContact CD2-CD1 4.41Å; F445-F500 AromaticContact CD2-CE1 3.46Å; F445-F500 HydrophobicContact CD2-CE1 3.46Å; F445-F500 VanDerWaalsContact CD2-CE1 3.46Å; F445-F500 AromaticContact CD2-CZ 3.53Å; F445-F500 HydrophobicContact CD2-CZ 3.53Å; F445-F500 HydrophobicContact CE2-CE1 4.29Å; F445-F500 AromaticContact CE2-CZ 3.91Å; F445-F500 HydrophobicContact CE2-CZ 3.91Å; F445-F500 HydrophobicContact CG-CD1 4.2Å; F445-F500 AromaticContact CG-CE1 3.65Å; F445-F500 HydrophobicContact CG-CE1 3.65Å; F445-F500 HydrophobicContact CG-CZ 4.08Å; F445-F504 HydrophobicContact CB-CE1 4.4Å; F445-F504 HydrophobicContact CB-CZ 4.34Å; F445-F504 AromaticContact CD1-CE1 3.48Å; F445-F504 HydrophobicContact CD1-CE1 3.48Å; F445-F504 VanDerWaalsContact CD1-CE1 3.48Å; F445-F504 AromaticContact CD1-CZ 3.7Å; F445-F504 HydrophobicContact CD1-CZ 3.7Å; F445-F504 AromaticContact CE1-CE1 3.96Å; F445-F504 HydrophobicContact CE1-CE1 3.96Å; F445-F504 HydrophobicContact CE1-CZ 4.46Å; F445-F504 HydrophobicContact CG-CE1 4.05Å; F445-F504 HydrophobicContact CG-CZ 4.32Å; F445-L505 HydrophobicContact CE1-CD2 4.36Å; F445-L505 HydrophobicContact CZ-CD2 4.18Å; F445-I508 HydrophobicContact CD1-CD1 4.25Å; F445-I508 HydrophobicContact CE1-CD1 3.92Å
446	E	98.9	Very high	98.6	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-60.2	-43.6	173.4	-64.2	179.2	144.6	0	0	111.2	L208 I442 L448 V449 E450 F504 W541 N545	L208-E446 HydrophobicContact CD2-CB 3.28Å; L208-E446 HydrophobicContact CD2-CG 4.28Å; L208-E446 VanDerWaalsContact CD2-OE2 3.31Å; L208-E446 WeakPolarHBondContact CD2-OE2 3.32Å; I442-E446 WeakPolarHBondContact O-CG 3.35Å; I442-E446 PolarHBondContact O-N 3.47Å; E446-L448 VanDerWaalsContact C-N 3.35Å; E446-L448 PolarHBondContact O-N 3.15Å; E446-V449 PolarHBondContact O-N 3.05Å; E446-E450 PolarHBondContact O-N 2.85Å; E446-F504 HydrophobicContact CG-CE2 4.24Å; E446-F504 HydrophobicContact CG-CZ 4.17Å; E446-W541 HydrophobicContact CB-CD2 3.88Å; E446-W541 HydrophobicContact CB-CE3 4.06Å; E446-W541 HydrophobicContact CB-CG 4.24Å; E446-W541 HydrophobicContact CB-CZ2 4.43Å; E446-W541 HydrophobicContact CB-CZ3 4.39Å; E446-W541 HydrophobicContact CG-CD2 3.74Å; E446-W541 HydrophobicContact CG-CE3 3.42Å; E446-W541 VanDerWaalsContact CG-CE3 3.42Å; E446-W541 HydrophobicContact CG-CG 4.29Å; E446-W541 HydrophobicContact CG-CH2 4.35Å; E446-W541 HydrophobicContact CG-CZ3 3.76Å; E446-N545 VanDerWaalsContact CD-ND2 3.34Å; E446-N545 PolarHBondContact OE1-ND2 3.25Å; E446-N545 VanDerWaalsContact OE1-ND2 3.12Å; E446-N545 PolarHBondContact OE2-ND2 2.96Å
447	V	98.9	Very high	98.7	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.018	6%	0.061	C	C	.	.	H	α-helix	trans	-61.6	-38.2	171.5	163.1	0	0	0	0	112.3	L208 Y209 E214 Y438 R443 G444 F445 V449 E450 K451	L208-V447 HydrophobicContact CD2-CG2 4.17Å; L208-V447 HydrophobicContact CG-CG2 4Å; Y209-V447 HydrophobicContact CD2-CG1 3.9Å; Y209-V447 HydrophobicContact CE2-CG1 4.38Å; E214-V447 HydrophobicContact CG-CG1 4.27Å; Y438-V447 HydrophobicContact CE1-CB 4.41Å; Y438-V447 HydrophobicContact CE1-CG1 4.08Å; R443-V447 WeakPolarHBondContact O-CB 3.48Å; R443-V447 WeakPolarHBondContact O-CG2 3.42Å; R443-V447 PolarHBondContact O-N 2.97Å; G444-V447 PolarHBondContact O-N 3.17Å; F445-V447 VanDerWaalsContact C-N 3.34Å; F445-V447 PolarHBondContact O-N 2.61Å; V447-V449 VanDerWaalsContact C-N 3.3Å; V447-V449 PolarHBondContact O-N 3.46Å; V447-E450 PolarHBondContact O-N 3.34Å; V447-K451 WeakPolarHBondContact O-CB 3.25Å; V447-K451 PolarHBondContact O-N 2.97Å
448	L	98.9	Very high	98.8	Very high	0 Å²	0	12 Å²	12	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-61.9	-38.9	175.3	-176.2	70.3	0	0	0	111.7	M432 L433 Y439 G444 F445 E446 E452 F483	M432-L448 HydrophobicContact CB-CD1 4.08Å; M432-L448 HydrophobicContact CE-CD1 3.63Å; M432-L448 HydrophobicContact SD-CD1 4.29Å; L433-L448 HydrophobicContact CD1-CD2 3.73Å; L433-L448 HydrophobicContact CD2-CD2 3.75Å; L433-L448 HydrophobicContact CG-CD2 3.49Å; L433-L448 VanDerWaalsContact CG-CD2 3.49Å; Y439-L448 HydrophobicContact CD1-CB 3.77Å; Y439-L448 HydrophobicContact CD1-CD1 3.92Å; Y439-L448 HydrophobicContact CD1-CG 4.37Å; Y439-L448 HydrophobicContact CD2-CD1 4.26Å; Y439-L448 HydrophobicContact CE1-CB 4.32Å; Y439-L448 HydrophobicContact CE1-CD1 4.05Å; Y439-L448 HydrophobicContact CE2-CD1 4.42Å; Y439-L448 HydrophobicContact CG-CB 4.3Å; Y439-L448 HydrophobicContact CG-CD1 4.02Å; G444-L448 WeakPolarHBondContact O-CB 3.44Å; G444-L448 PolarHBondContact O-N 2.79Å; F445-L448 HydrophobicContact CD2-CD2 4.5Å; F445-L448 VanDerWaalsContact O-CB 3.32Å; F445-L448 WeakPolarHBondContact O-CB 3.5Å; F445-L448 PolarHBondContact O-N 2.9Å; F445-L448 VanDerWaalsContact O-N 3.16Å; E446-L448 VanDerWaalsContact C-N 3.35Å; E446-L448 PolarHBondContact O-N 3.15Å; L448-E452 HydrophobicContact CD1-CG 3.86Å; L448-E452 PolarHBondContact O-N 2.97Å; L448-F483 HydrophobicContact CD2-CZ 4.32Å
449	V	98.9	Very high	98.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-70.5	-47.2	175.6	175	0	0	0	0	110.9	F445 E446 V447 K451 W453 L454 F480 F483 F520 W541	F445-V449 HydrophobicContact CD1-CG2 4.14Å; F445-V449 HydrophobicContact CE1-CG2 3.82Å; F445-V449 HydrophobicContact CZ-CG2 4.46Å; F445-V449 WeakPolarHBondContact O-CG2 3.44Å; F445-V449 PolarHBondContact O-N 2.67Å; E446-V449 PolarHBondContact O-N 3.05Å; V447-V449 VanDerWaalsContact C-N 3.3Å; V447-V449 PolarHBondContact O-N 3.46Å; V449-K451 VanDerWaalsContact C-N 3.26Å; V449-K451 PolarHBondContact O-N 3.41Å; V449-W453 WeakPolarHBondContact O-CB 3.18Å; V449-W453 PolarHBondContact O-N 3.15Å; V449-L454 HydrophobicContact CG1-CD1 4.09Å; V449-L454 HydrophobicContact CG1-CG 4.37Å; V449-L454 PolarHBondContact O-N 3.32Å; V449-F480 HydrophobicContact CG1-CE2 4.2Å; V449-F480 HydrophobicContact CG1-CZ 3.9Å; V449-F480 HydrophobicContact CG2-CE2 4.24Å; V449-F480 HydrophobicContact CG2-CZ 4.05Å; V449-F483 HydrophobicContact CG2-CE1 4.37Å; V449-F520 HydrophobicContact CG1-CE1 3.72Å; V449-F520 HydrophobicContact CG1-CZ 4.15Å; V449-W541 HydrophobicContact CB-CH2 4.39Å; V449-W541 HydrophobicContact CB-CZ2 4.1Å; V449-W541 HydrophobicContact CG1-CH2 4.26Å; V449-W541 HydrophobicContact CG1-CZ2 3.9Å
450	E	98.9	Very high	98.8	Very high	20 Å²	20	11.9 Å²	11.9	9%	0.093	5%	0.05	C	C	.	.	I	π-helix	trans	-58.2	-39	175	-73.4	-65	164.2	0	0	112.3	Y209 E446 V447 L454 S455 W541	Y209-E450 HydrophobicContact CD1-CB 3.66Å; Y209-E450 HydrophobicContact CG-CB 3.7Å; E446-E450 PolarHBondContact O-N 2.85Å; V447-E450 PolarHBondContact O-N 3.34Å; E450-L454 VanDerWaalsContact CD-CD1 3.42Å; E450-L454 HydrophobicContact CG-CD1 4.3Å; E450-L454 WeakPolarHBondContact O-CB 3.49Å; E450-L454 WeakPolarHBondContact OE1-CD1 3.41Å; E450-L454 WeakPolarHBondContact OE2-CD1 3.25Å; E450-S455 WeakPolarHBondContact O-CB 3.23Å; E450-S455 PolarHBondContact O-N 3.42Å; E450-W541 PolarHBondContact OE1-NE1 2.88Å
451	K	98.9	Very high	98.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.057	C	C	.	.	I	π-helix	trans	-75.6	-78.8	177.2	-171.3	-179.3	-170.4	-73.8	0	112.4	Y209 E214 S271 M432 V447 V449 W453 S455 F456	Y209-K451 HydrophobicContact CE2-CB 4Å; Y209-K451 HydrophobicContact CE2-CG 4.32Å; E214-K451 HydrophobicContact CG-CD 3.99Å; S271-K451 PolarHBondContact O-NZ 3.05Å; M432-K451 HydrophobicContact CE-CD 4.49Å; V447-K451 WeakPolarHBondContact O-CB 3.25Å; V447-K451 PolarHBondContact O-N 2.97Å; V449-K451 VanDerWaalsContact C-N 3.26Å; V449-K451 PolarHBondContact O-N 3.41Å; K451-W453 PolarHBondContact O-N 2.98Å; K451-W453 VanDerWaalsContact O-N 3.17Å; K451-S455 PolarHBondContact O-N 2.77Å; K451-S455 PolarHBondContact O-OG 2.87Å; K451-F456 WeakPolarHBondContact O-CD2 2.92Å; K451-F456 PolarHBondContact O-N 2.86Å
452	E	98.9	Very high	98.9	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.057	C	C	.	.	I	π-helix	trans	-72.1	-16.5	-164	-65.5	-56.6	119.1	0	0	114.2	R283 T428 M432 L448	R283-E452 WeakPolarHBondContact CD-OE2 3.49Å; R283-E452 IonicContact CZ-OE2 2.67Å; R283-E452 IonicContact NE-OE2 2.72Å; R283-E452 PolarHBondContact NH1-O 3.23Å; R283-E452 IonicContact NH1-OE2 3.05Å; R283-E452 PolarHBondContact NH1-OE2 3.05Å; R283-E452 PolarHBondContact NH2-O 3.26Å; T428-E452 PolarHBondContact OG1-OE2 3.34Å; M432-E452 HydrophobicContact CE-CG 3.75Å; M432-E452 HydrophobicContact SD-CG 3.73Å; L448-E452 HydrophobicContact CD1-CG 3.86Å; L448-E452 PolarHBondContact O-N 2.97Å
453	W	98.9	Very high	98.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.057	C	C	.	.	I	π-helix	trans	-111.8	-53.3	-179.1	-66.1	85	0	0	0	112.6	A425 Q426 S429 V449 K451 G457 H458 F460 V479 F480 F483	A425-W453 HydrophobicContact CB-CD2 3.87Å; A425-W453 HydrophobicContact CB-CE3 3.9Å; A425-W453 HydrophobicContact CB-CH2 4.13Å; A425-W453 HydrophobicContact CB-CZ2 4.05Å; A425-W453 HydrophobicContact CB-CZ3 4.04Å; Q426-W453 HydrophobicContact CB-CH2 4.46Å; Q426-W453 HydrophobicContact CB-CZ2 4.47Å; Q426-W453 HydrophobicContact CG-CH2 3.58Å; Q426-W453 HydrophobicContact CG-CZ2 4.03Å; S429-W453 PolarHBondContact OG-NE1 3.12Å; S429-W453 VanDerWaalsContact OG-NE1 3.07Å; V449-W453 WeakPolarHBondContact O-CB 3.18Å; V449-W453 PolarHBondContact O-N 3.15Å; K451-W453 PolarHBondContact O-N 2.98Å; K451-W453 VanDerWaalsContact O-N 3.17Å; W453-G457 PolarHBondContact O-N 3.49Å; W453-H458 HydrophobicContact CB-CB 4.47Å; W453-H458 HydrophobicContact CE3-CB 3.84Å; W453-H458 AromaticContact CE3-CD2 3.83Å; W453-H458 AromaticContact CE3-CG 3.57Å; W453-H458 AromaticContact CE3-ND1 3.96Å; W453-H458 AromaticContact CZ3-CE1 3.96Å; W453-H458 AromaticContact CZ3-CG 3.89Å; W453-H458 AromaticContact CZ3-ND1 3.83Å; W453-H458 WeakPolarHBondContact O-CB 3.4Å; W453-H458 PolarHBondContact O-N 2.84Å; W453-F460 HydrophobicContact CB-CE2 3.93Å; W453-F460 HydrophobicContact CB-CZ 3.98Å; W453-F460 HydrophobicContact CE3-CZ 4.27Å; W453-V479 HydrophobicContact CH2-CG1 4.21Å; W453-V479 HydrophobicContact CZ3-CG1 4.1Å; W453-F480 HydrophobicContact CB-CE2 4.47Å; W453-F480 AromaticContact CD2-CD2 3.55Å; W453-F480 HydrophobicContact CD2-CD2 3.55Å; W453-F480 AromaticContact CD2-CE2 3.82Å; W453-F480 HydrophobicContact CD2-CE2 3.82Å; W453-F480 AromaticContact CE2-CD2 3.87Å; W453-F480 HydrophobicContact CE3-CB 4.42Å; W453-F480 AromaticContact CE3-CD2 3.49Å; W453-F480 HydrophobicContact CE3-CD2 3.49Å; W453-F480 VanDerWaalsContact CE3-CD2 3.49Å; W453-F480 HydrophobicContact CE3-CE2 4.21Å; W453-F480 HydrophobicContact CE3-CG 4.39Å; W453-F480 HydrophobicContact CG-CD2 4.13Å; W453-F480 AromaticContact CG-CE2 3.93Å; W453-F480 HydrophobicContact CG-CE2 3.93Å; W453-F480 HydrophobicContact CH2-CD2 4.03Å; W453-F480 HydrophobicContact CZ2-CD2 4.12Å; W453-F480 HydrophobicContact CZ3-CB 4.05Å; W453-F480 AromaticContact CZ3-CD2 3.73Å; W453-F480 HydrophobicContact CZ3-CD2 3.73Å; W453-F480 HydrophobicContact CZ3-CG 4.39Å; W453-F483 AromaticContact CE2-CD1 3.84Å; W453-F483 AromaticContact CE2-CG 3.87Å; W453-F483 HydrophobicContact CH2-CB 3.63Å; W453-F483 HydrophobicContact CH2-CG 4.13Å; W453-F483 HydrophobicContact CZ2-CB 3.32Å; W453-F483 AromaticContact CZ2-CD1 3.74Å; W453-F483 HydrophobicContact CZ2-CD1 3.74Å; W453-F483 AromaticContact CZ2-CD2 3.8Å; W453-F483 HydrophobicContact CZ2-CD2 3.8Å; W453-F483 HydrophobicContact CZ2-CE1 4.5Å; W453-F483 AromaticContact CZ2-CG 3.33Å; W453-F483 HydrophobicContact CZ2-CG 3.33Å; W453-F483 AromaticContact NE1-CD1 3.85Å; W453-F483 AromaticContact NE1-CE1 3.75Å; W453-F483 AromaticContact NE1-CZ 3.88Å
454	L	98.9	Very high	98.9	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.042	C	C	.	.	I	π-helix	trans	-79.8	-55.6	-172.5	-64	170.1	0	0	0	111.8	V449 E450 G457 F460 T519 F520 R528	V449-L454 HydrophobicContact CG1-CD1 4.09Å; V449-L454 HydrophobicContact CG1-CG 4.37Å; V449-L454 PolarHBondContact O-N 3.32Å; E450-L454 VanDerWaalsContact CD-CD1 3.42Å; E450-L454 HydrophobicContact CG-CD1 4.3Å; E450-L454 WeakPolarHBondContact O-CB 3.49Å; E450-L454 WeakPolarHBondContact OE1-CD1 3.41Å; E450-L454 WeakPolarHBondContact OE2-CD1 3.25Å; L454-G457 PolarHBondContact O-N 3.07Å; L454-F460 HydrophobicContact CD2-CD2 3.58Å; L454-F460 HydrophobicContact CD2-CE2 3.38Å; L454-F460 HydrophobicContact CD2-CG 4.49Å; L454-F460 HydrophobicContact CD2-CZ 4.17Å; L454-F460 HydrophobicContact CG-CE2 4.09Å; L454-T519 HydrophobicContact CD1-CG2 3.71Å; L454-T519 WeakPolarHBondContact CD2-O 3.48Å; L454-F520 HydrophobicContact CD2-CD1 4.14Å; L454-R528 VanDerWaalsContact C-NH1 3.28Å; L454-R528 VanDerWaalsContact CD2-NH2 3.3Å; L454-R528 PolarHBondContact O-NH1 2.75Å
455	S	98.9	Very high	98.9	Very high	3 Å²	3	9.4 Å²	9.4	2%	0.021	4%	0.044	C	C	.	.	I	π-helix	trans	-67.6	-41.7	-178.2	85.9	0	0	0	0	111.7	E450 K451 G457 E525	E450-S455 WeakPolarHBondContact O-CB 3.23Å; E450-S455 PolarHBondContact O-N 3.42Å; K451-S455 PolarHBondContact O-N 2.77Å; K451-S455 PolarHBondContact O-OG 2.87Å; S455-G457 PolarHBondContact O-N 3.35Å; S455-G457 VanDerWaalsContact O-N 3.1Å; S455-E525 WeakPolarHBondContact CB-OE1 3.39Å
456	F	98.9	Very high	98.9	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	5.4	174.4	-88.5	-73.3	0	0	0	115.9	T239 Y240 P241 R266 V269 R283 K451	T239-F456 CarbonylContact O-C 3.56Å; Y240-F456 AromaticContact CD1-CD1 3.85Å; Y240-F456 HydrophobicContact CD1-CD1 3.85Å; Y240-F456 HydrophobicContact CD1-CE1 4.15Å; Y240-F456 AromaticContact CE1-CD1 3.72Å; Y240-F456 HydrophobicContact CE1-CD1 3.72Å; Y240-F456 AromaticContact CE1-CE1 3.92Å; Y240-F456 HydrophobicContact CE1-CE1 3.92Å; Y240-F456 HydrophobicContact CE2-CE1 4.38Å; Y240-F456 HydrophobicContact CG-CE1 4.47Å; P241-F456 HydrophobicContact CG-CE1 4.34Å; P241-F456 HydrophobicContact CG-CE2 4.34Å; P241-F456 HydrophobicContact CG-CZ 4.21Å; R266-F456 PolarHBondContact NH1-O 2.89Å; R266-F456 PolarHBondContact NH2-O 3.2Å; V269-F456 HydrophobicContact CG2-CE1 3.46Å; V269-F456 VanDerWaalsContact CG2-CE1 3.46Å; V269-F456 HydrophobicContact CG2-CZ 3.63Å; R283-F456 HydrophobicContact CG-CD1 4.34Å; R283-F456 HydrophobicContact CG-CE1 3.98Å; R283-F456 HydrophobicContact CG-CZ 4.31Å; K451-F456 WeakPolarHBondContact O-CD2 2.92Å; K451-F456 PolarHBondContact O-N 2.86Å
457	G	98.9	Very high	98.9	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	38.1	164.5	0	0	0	0	0	115.6	T239 W421 W453 L454 S455 R459 N523	T239-G457 WeakPolarHBondContact O-CA 3.34Å; W421-G457 WeakPolarHBondContact CB-O 3.34Å; W453-G457 PolarHBondContact O-N 3.49Å; L454-G457 PolarHBondContact O-N 3.07Å; S455-G457 PolarHBondContact O-N 3.35Å; S455-G457 VanDerWaalsContact O-N 3.1Å; G457-R459 PolarHBondContact O-N 2.98Å; G457-N523 CarbonylContact C-O 3.41Å; G457-N523 WeakPolarHBondContact CA-O 3.46Å
458	H	98.9	Very high	98.9	Very high	3 Å²	3	11.8 Å²	11.8	1%	0.014	6%	0.057	C	C	.	.			trans	-59.8	130.6	159.7	-173.3	67.5	0	0	0	109.2	W421 D422 W453 F460	W421-H458 PolarHBondContact O-ND1 2.99Å; D422-H458 IonicContact OD1-CE1 3.42Å; D422-H458 PolarHBondContact OD1-CE1 3.38Å; D422-H458 IonicContact OD1-ND1 3.94Å; W453-H458 HydrophobicContact CB-CB 4.47Å; W453-H458 HydrophobicContact CE3-CB 3.84Å; W453-H458 AromaticContact CE3-CD2 3.83Å; W453-H458 AromaticContact CE3-CG 3.57Å; W453-H458 AromaticContact CE3-ND1 3.96Å; W453-H458 AromaticContact CZ3-CE1 3.96Å; W453-H458 AromaticContact CZ3-CG 3.89Å; W453-H458 AromaticContact CZ3-ND1 3.83Å; W453-H458 WeakPolarHBondContact O-CB 3.4Å; W453-H458 PolarHBondContact O-N 2.84Å; H458-F460 HydrophobicContact CB-CD2 4.05Å; H458-F460 HydrophobicContact CB-CE2 3.8Å; H458-F460 AromaticContact CD2-CD1 3.94Å; H458-F460 AromaticContact CD2-CD2 3.68Å; H458-F460 AromaticContact CD2-CE1 3.93Å; H458-F460 AromaticContact CD2-CE2 3.66Å; H458-F460 AromaticContact CD2-CG 3.82Å; H458-F460 AromaticContact CD2-CZ 3.8Å; H458-F460 WeakPolarHBondContact O-CD2 3.24Å; H458-F460 PolarHBondContact O-N 2.63Å
459	R	98.9	Very high	98.8	Very high	67 Å²	67	17 Å²	17	25%	0.253	8%	0.08	S	C	.	.			trans	-83.8	57	-167.8	-59	-175.2	70.8	-160.5	4.7	111.9	W421 G457 Q461 L462 R463 N523	W421-R459 HydrophobicContact CD2-CG 4.14Å; W421-R459 HydrophobicContact CE3-CG 4.38Å; W421-R459 HydrophobicContact CG-CG 4.5Å; W421-R459 VanDerWaalsContact CZ2-CD 3.4Å; W421-R459 HydrophobicContact CZ2-CG 4.47Å; G457-R459 PolarHBondContact O-N 2.98Å; R459-Q461 PolarHBondContact O-N 3.47Å; R459-L462 HydrophobicContact CB-CB 4.3Å; R459-L462 VanDerWaalsContact NH1-CD2 3.31Å; R459-L462 PolarHBondContact O-N 3.11Å; R459-R463 HydrophobicContact CB-CG 4.43Å; R459-R463 WeakPolarHBondContact O-CB 3.36Å; R459-R463 VanDerWaalsContact O-CG 3.3Å; R459-R463 WeakPolarHBondContact O-CG 3.12Å; R459-R463 PolarHBondContact O-N 2.73Å; R459-N523 WeakPolarHBondContact CA-OD1 3.29Å; R459-N523 HydrophobicContact CB-CB 4.12Å; R459-N523 WeakPolarHBondContact CB-OD1 3.33Å; R459-N523 HydrophobicContact CG-CB 4.18Å; R459-N523 PolarHBondContact O-OD1 2.81Å
460	F	98.9	Very high	98.8	Very high	1 Å²	1	20.8 Å²	20.8	0%	0.004	10%	0.1	C	C	.	.	H	α-helix	trans	-49.7	-53.1	-172	-80.3	-84.7	0	0	0	113.7	W453 L454 H458 L462 R463 V464 F480 L512 F520	W453-F460 HydrophobicContact CB-CE2 3.93Å; W453-F460 HydrophobicContact CB-CZ 3.98Å; W453-F460 HydrophobicContact CE3-CZ 4.27Å; L454-F460 HydrophobicContact CD2-CD2 3.58Å; L454-F460 HydrophobicContact CD2-CE2 3.38Å; L454-F460 HydrophobicContact CD2-CG 4.49Å; L454-F460 HydrophobicContact CD2-CZ 4.17Å; L454-F460 HydrophobicContact CG-CE2 4.09Å; H458-F460 HydrophobicContact CB-CD2 4.05Å; H458-F460 HydrophobicContact CB-CE2 3.8Å; H458-F460 AromaticContact CD2-CD1 3.94Å; H458-F460 AromaticContact CD2-CD2 3.68Å; H458-F460 AromaticContact CD2-CE1 3.93Å; H458-F460 AromaticContact CD2-CE2 3.66Å; H458-F460 AromaticContact CD2-CG 3.82Å; H458-F460 AromaticContact CD2-CZ 3.8Å; H458-F460 WeakPolarHBondContact O-CD2 3.24Å; H458-F460 PolarHBondContact O-N 2.63Å; F460-L462 PolarHBondContact O-N 3.26Å; F460-R463 PolarHBondContact O-N 2.87Å; F460-V464 WeakPolarHBondContact O-CB 3.12Å; F460-V464 WeakPolarHBondContact O-CG2 3.45Å; F460-V464 PolarHBondContact O-N 2.85Å; F460-F480 HydrophobicContact CE1-CB 3.9Å; F460-F480 AromaticContact CE1-CD1 3.72Å; F460-F480 HydrophobicContact CE1-CD1 3.72Å; F460-F480 AromaticContact CE1-CD2 3.98Å; F460-F480 HydrophobicContact CE1-CD2 3.98Å; F460-F480 HydrophobicContact CE1-CE1 4.16Å; F460-F480 HydrophobicContact CE1-CE2 4.4Å; F460-F480 AromaticContact CE1-CG 3.6Å; F460-F480 HydrophobicContact CE1-CG 3.6Å; F460-F480 HydrophobicContact CE1-CZ 4.47Å; F460-F480 HydrophobicContact CZ-CB 4.46Å; F460-F480 HydrophobicContact CZ-CD1 4.32Å; F460-F480 AromaticContact CZ-CD2 3.84Å; F460-F480 HydrophobicContact CZ-CD2 3.84Å; F460-F480 HydrophobicContact CZ-CE1 4.5Å; F460-F480 HydrophobicContact CZ-CE2 4.04Å; F460-F480 AromaticContact CZ-CG 3.97Å; F460-F480 HydrophobicContact CZ-CG 3.97Å; F460-F480 HydrophobicContact CZ-CZ 4.37Å; F460-L512 HydrophobicContact CD1-CD1 3.62Å; F460-L512 HydrophobicContact CE1-CD1 3.85Å; F460-F520 VanDerWaalsContact CB-O 3.24Å; F460-F520 WeakPolarHBondContact CB-O 3.43Å; F460-F520 HydrophobicContact CD1-CB 4.16Å; F460-F520 AromaticContact CD1-CD1 3.77Å; F460-F520 HydrophobicContact CD1-CD1 3.77Å; F460-F520 HydrophobicContact CD1-CG 4.32Å; F460-F520 AromaticContact CE1-CD1 3.41Å; F460-F520 HydrophobicContact CE1-CD1 3.41Å; F460-F520 VanDerWaalsContact CE1-CD1 3.41Å; F460-F520 AromaticContact CE1-CE1 3.89Å; F460-F520 HydrophobicContact CE1-CE1 3.89Å; F460-F520 HydrophobicContact CE1-CG 4.3Å; F460-F520 HydrophobicContact CE2-CD1 4.27Å; F460-F520 HydrophobicContact CG-CB 4.5Å; F460-F520 HydrophobicContact CG-CD1 4.34Å; F460-F520 AromaticContact CZ-CD1 3.69Å; F460-F520 HydrophobicContact CZ-CD1 3.69Å; F460-F520 AromaticContact CZ-CE1 3.92Å; F460-F520 HydrophobicContact CZ-CE1 3.92Å
461	Q	98.9	Very high	98.7	Very high	39 Å²	39	24.2 Å²	24.2	18%	0.182	12%	0.116	C	C	.	.	H	α-helix	trans	-51.7	-41.6	178.6	173.8	67.3	44.5	0	0	112.6	R459 G465 H466 C522	R459-Q461 PolarHBondContact O-N 3.47Å; Q461-G465 VanDerWaalsContact O-CA 3.24Å; Q461-G465 WeakPolarHBondContact O-CA 3.45Å; Q461-G465 PolarHBondContact O-N 3.5Å; Q461-H466 PolarHBondContact NE2-O 3.4Å; Q461-H466 PolarHBondContact O-N 2.97Å; Q461-H466 PolarHBondContact OE1-CD2 3.13Å; Q461-C522 VanDerWaalsContact CB-O 3.28Å; Q461-C522 WeakPolarHBondContact CB-O 3.23Å; Q461-C522 PolarHBondContact N-O 3.47Å
462	L	98.8	Very high	98.6	Very high	31 Å²	31	27.6 Å²	27.6	16%	0.162	14%	0.144	C	C	.	.	H	α-helix	trans	-80.8	-42	179.7	179.7	65.4	0	0	0	112.8	R459 F460 V464 D475 N523	R459-L462 HydrophobicContact CB-CB 4.3Å; R459-L462 VanDerWaalsContact NH1-CD2 3.31Å; R459-L462 PolarHBondContact O-N 3.11Å; F460-L462 PolarHBondContact O-N 3.26Å; L462-V464 PolarHBondContact O-N 3.37Å; L462-D475 HydrophobicContact CD1-CB 3.76Å; L462-D475 HydrophobicContact CD2-CB 3.83Å; L462-D475 HydrophobicContact CG-CB 3.67Å; L462-N523 WeakPolarHBondContact CB-OD1 3.32Å; L462-N523 PolarHBondContact N-OD1 2.97Å
463	R	98.9	Very high	98.5	Very high	11 Å²	11	29.3 Å²	29.3	4%	0.042	15%	0.153	C	C	.	.	H	α-helix	trans	-65.3	-28.2	-179.5	-70.2	-77.8	173.9	-95.1	0.8	112.4	D422 R459 F460 D475 R476 S477	D422-R463 IonicContact OD1-CZ 3.14Å; D422-R463 IonicContact OD1-NE 3.89Å; D422-R463 PolarHBondContact OD1-NE 3.24Å; D422-R463 IonicContact OD1-NH2 3.13Å; D422-R463 IonicContact OD2-CZ 2.79Å; D422-R463 IonicContact OD2-NE 3.76Å; D422-R463 IonicContact OD2-NH2 3.36Å; D422-R463 PolarHBondContact OD2-NH2 2.99Å; R459-R463 HydrophobicContact CB-CG 4.43Å; R459-R463 WeakPolarHBondContact O-CB 3.36Å; R459-R463 VanDerWaalsContact O-CG 3.3Å; R459-R463 WeakPolarHBondContact O-CG 3.12Å; R459-R463 PolarHBondContact O-N 2.73Å; F460-R463 PolarHBondContact O-N 2.87Å; R463-D475 IonicContact CZ-OD1 3.89Å; R463-D475 PolarHBondContact NH1-O 3.47Å; R463-D475 IonicContact NH1-OD1 3.12Å; R463-D475 PolarHBondContact NH1-OD1 2.69Å; R463-D475 IonicContact NH2-OD1 3.11Å; R463-R476 CarbonylContact O-C 3.57Å; R463-R476 VanDerWaalsContact O-CA 3.26Å; R463-R476 WeakPolarHBondContact O-CA 3.46Å; R463-S477 PolarHBondContact O-N 2.79Å
464	V	98.9	Very high	98.5	Very high	15 Å²	15	31.8 Å²	31.8	9%	0.091	17%	0.173	C	C	.	.	H	α-helix	trans	-101.3	-32.7	177.8	-179.2	0	0	0	0	113.1	K156 F460 L462 H466 L512 Y513	K156-V464 HydrophobicContact CD-CG1 4.25Å; K156-V464 PolarHBondContact NZ-O 3.1Å; F460-V464 WeakPolarHBondContact O-CB 3.12Å; F460-V464 WeakPolarHBondContact O-CG2 3.45Å; F460-V464 PolarHBondContact O-N 2.85Å; L462-V464 PolarHBondContact O-N 3.37Å; V464-H466 VanDerWaalsContact CB-CE1 3.43Å; V464-H466 WeakPolarHBondContact CB-CE1 3.41Å; V464-H466 WeakPolarHBondContact CG1-CE1 3.31Å; V464-H466 WeakPolarHBondContact CG1-ND1 3.44Å; V464-L512 HydrophobicContact CG2-CD1 3.83Å; V464-L512 HydrophobicContact CG2-CD2 4.46Å; V464-L512 HydrophobicContact CG2-CG 4.14Å; V464-Y513 HydrophobicContact CG1-CD1 3.52Å; V464-Y513 HydrophobicContact CG1-CE1 3.84Å; V464-Y513 HydrophobicContact CG2-CE1 4.43Å
465	G	98.8	Very high	98.5	Very high	4 Å²	4	34.4 Å²	34.4	4%	0.041	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	63.1	-171.1	0	0	0	0	0	111.8	K156 Q461 G467 D468	K156-G465 PolarHBondContact NZ-O 3.14Å; Q461-G465 VanDerWaalsContact O-CA 3.24Å; Q461-G465 WeakPolarHBondContact O-CA 3.45Å; Q461-G465 PolarHBondContact O-N 3.5Å; G465-G467 PolarHBondContact O-N 3.19Å; G465-D468 PolarHBondContact O-N 3.46Å
466	H	98.8	Very high	98.5	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	119.3	179.6	-58	-34.7	0	0	0	110.7	V186 L192 Q461 V464 D468 L512 F520 L521	V186-H466 WeakPolarHBondContact CG2-O 3.18Å; L192-H466 HydrophobicContact CD1-CB 4.29Å; L192-H466 HydrophobicContact CD2-CB 4.26Å; Q461-H466 PolarHBondContact NE2-O 3.4Å; Q461-H466 PolarHBondContact O-N 2.97Å; Q461-H466 PolarHBondContact OE1-CD2 3.13Å; V464-H466 VanDerWaalsContact CB-CE1 3.43Å; V464-H466 WeakPolarHBondContact CB-CE1 3.41Å; V464-H466 WeakPolarHBondContact CG1-CE1 3.31Å; V464-H466 WeakPolarHBondContact CG1-ND1 3.44Å; H466-D468 PolarHBondContact O-N 3.43Å; H466-L512 PolarHBondContact CE1-O 3.31Å; H466-F520 PolarHBondContact NE2-O 2.9Å; H466-L521 VanDerWaalsContact CD2-CD2 3.47Å; H466-L521 WeakPolarHBondContact CD2-CD2 3.26Å
467	G	98.4	Very high	98.4	Very high	3 Å²	3	35.6 Å²	35.6	3%	0.031	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	20.2	179.9	0	0	0	0	0	115.4	F184 V186 S187 G465	F184-G467 CarbonylContact C-O 3.42Å; F184-G467 WeakPolarHBondContact CA-O 3.27Å; V186-G467 WeakPolarHBondContact CB-O 3.47Å; V186-G467 PolarHBondContact N-O 3.05Å; V186-G467 VanDerWaalsContact N-O 3.09Å; S187-G467 PolarHBondContact N-O 3.04Å; S187-G467 VanDerWaalsContact N-O 3.13Å; G465-G467 PolarHBondContact O-N 3.19Å
468	D	98.6	Very high	98.4	Very high	49 Å²	49	36.2 Å²	36.2	26%	0.262	20%	0.197	S	C	.	.			trans	-108.1	127.1	179.8	-171.4	-52.7	0	0	0	111.1	F184 S187 G465 H466 N470 R476	F184-D468 WeakPolarHBondContact CD1-O 3.31Å; S187-D468 WeakPolarHBondContact OG-CA 3.49Å; G465-D468 PolarHBondContact O-N 3.46Å; H466-D468 PolarHBondContact O-N 3.43Å; D468-N470 VanDerWaalsContact C-N 3.31Å; D468-N470 PolarHBondContact O-N 2.98Å; D468-N470 WeakPolarHBondContact OD1-CA 3.44Å; D468-N470 WeakPolarHBondContact OD1-CB 3.49Å; D468-N470 PolarHBondContact OD1-N 2.65Å; D468-R476 PolarHBondContact O-NH2 3.27Å; D468-R476 IonicContact OD1-NH2 2.65Å; D468-R476 PolarHBondContact OD1-NH2 2.98Å
469	K	97.9	Very high	98.4	Very high	111 Å²	111	36.2 Å²	36.2	48%	0.483	20%	0.197	S	C	.	.			trans	-74.9	-12.5	-177.5	73.6	-169	173.4	-167.1	0	114.9	M180 F184 S187 H471	M180-K469 HydrophobicContact CE-CB 4.49Å; F184-K469 HydrophobicContact CB-CB 3.93Å; F184-K469 HydrophobicContact CD1-CB 4.07Å; F184-K469 HydrophobicContact CD2-CB 3.84Å; F184-K469 HydrophobicContact CE2-CB 4.42Å; F184-K469 HydrophobicContact CG-CB 3.65Å; S187-K469 PolarHBondContact OG-N 2.79Å; K469-H471 VanDerWaalsContact C-N 3.25Å; K469-H471 PolarHBondContact O-N 3.32Å
470	N	98.3	Very high	98.4	Very high	79 Å²	79	33.3 Å²	33.3	42%	0.422	19%	0.187	S	C	.	.			trans	-76.3	72.2	-179.5	-174.7	15.8	0	0	0	111.5	D468 A472 D473 R476	D468-N470 VanDerWaalsContact C-N 3.31Å; D468-N470 PolarHBondContact O-N 2.98Å; D468-N470 WeakPolarHBondContact OD1-CA 3.44Å; D468-N470 WeakPolarHBondContact OD1-CB 3.49Å; D468-N470 PolarHBondContact OD1-N 2.65Å; N470-A472 PolarHBondContact O-N 3.49Å; N470-D473 WeakPolarHBondContact O-CB 3.29Å; N470-D473 PolarHBondContact O-N 3.09Å; N470-D473 VanDerWaalsContact O-N 3.16Å; N470-R476 PolarHBondContact O-NE 3.4Å; N470-R476 PolarHBondContact O-NH2 3.4Å
471	H	96.5	Very high	98.4	Very high	92 Å²	92	33.3 Å²	33.3	43%	0.426	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-15.8	179.9	73.5	76	0	0	0	114.3	S133 R134 K469	S133-H471 WeakPolarHBondContact O-CB 3.49Å; R134-H471 HydrophobicContact CB-CB 4.22Å; K469-H471 VanDerWaalsContact C-N 3.25Å; K469-H471 PolarHBondContact O-N 3.32Å
472	A	97.3	Very high	98.5	Very high	71 Å²	71	31.4 Å²	31.4	59%	0.587	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	1.3	-178.7	0	0	0	0	0	113.4	N470 A474	N470-A472 PolarHBondContact O-N 3.49Å; A472-A474 PolarHBondContact O-N 3.35Å
473	D	98	Very high	98.5	Very high	36 Å²	36	30 Å²	30	19%	0.193	17%	0.17	C	C	.	.			trans	-54.8	121.5	-179.2	-173.3	-13.9	0	0	0	112	N470 D475 R476	N470-D473 WeakPolarHBondContact O-CB 3.29Å; N470-D473 PolarHBondContact O-N 3.09Å; N470-D473 VanDerWaalsContact O-N 3.16Å; D473-D475 PolarHBondContact O-N 3.44Å; D473-D475 PolarHBondContact OD1-N 2.98Å; D473-R476 HydrophobicContact CB-CG 4.09Å; D473-R476 PolarHBondContact O-N 3.06Å
474	A	97.8	Very high	98.5	Very high	51 Å²	51	29.4 Å²	29.4	42%	0.421	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-11.9	-176.9	0	0	0	0	0	113.8	H357 R360 A472	H357-A474 PolarHBondContact CE1-O 2.65Å; H357-A474 PolarHBondContact ND1-O 2.7Å; R360-A474 VanDerWaalsContact NH1-C 3.26Å; R360-A474 PolarHBondContact NH1-O 3.21Å; R360-A474 PolarHBondContact NH2-O 2.78Å; A472-A474 PolarHBondContact O-N 3.35Å
475	D	98.3	Very high	98.5	Very high	55 Å²	55	28.7 Å²	28.7	29%	0.294	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-12.7	173.8	-99.4	-56	0	0	0	114.2	L462 R463 D473 S477	L462-D475 HydrophobicContact CD1-CB 3.76Å; L462-D475 HydrophobicContact CD2-CB 3.83Å; L462-D475 HydrophobicContact CG-CB 3.67Å; R463-D475 IonicContact CZ-OD1 3.89Å; R463-D475 PolarHBondContact NH1-O 3.47Å; R463-D475 IonicContact NH1-OD1 3.12Å; R463-D475 PolarHBondContact NH1-OD1 2.69Å; R463-D475 IonicContact NH2-OD1 3.11Å; D473-D475 PolarHBondContact O-N 3.44Å; D473-D475 PolarHBondContact OD1-N 2.98Å; D475-S477 PolarHBondContact O-N 3.21Å
476	R	98.8	Very high	98.5	Very high	18 Å²	18	28.5 Å²	28.5	7%	0.068	16%	0.162	C	C	.	.			trans	-69.5	129.3	176.6	-68.4	179.6	-168.6	-150.7	1	111.2	R360 R463 D468 N470 D473	R360-R476 WeakPolarHBondContact CD-O 3.45Å; R360-R476 PolarHBondContact NH1-O 3.32Å; R463-R476 CarbonylContact O-C 3.57Å; R463-R476 VanDerWaalsContact O-CA 3.26Å; R463-R476 WeakPolarHBondContact O-CA 3.46Å; D468-R476 PolarHBondContact O-NH2 3.27Å; D468-R476 IonicContact OD1-NH2 2.65Å; D468-R476 PolarHBondContact OD1-NH2 2.98Å; N470-R476 PolarHBondContact O-NE 3.4Å; N470-R476 PolarHBondContact O-NH2 3.4Å; D473-R476 HydrophobicContact CB-CG 4.09Å; D473-R476 PolarHBondContact O-N 3.06Å
477	S	98.9	Very high	98.5	Very high	11 Å²	11	28.5 Å²	28.5	8%	0.077	16%	0.162	C	C	.	.			trans	-163.7	141.3	-175.2	-170.3	0	0	0	0	113.1	I356 R463 D475 V479	I356-S477 WeakPolarHBondContact CA-OG 3.4Å; I356-S477 WeakPolarHBondContact CB-OG 3.5Å; I356-S477 WeakPolarHBondContact O-CB 3.19Å; I356-S477 PolarHBondContact O-OG 3.24Å; R463-S477 PolarHBondContact O-N 2.79Å; D475-S477 PolarHBondContact O-N 3.21Å; S477-V479 PolarHBondContact O-N 3.24Å
478	P	98.8	Very high	98.5	Very high	13 Å²	13	28.8 Å²	28.8	8%	0.084	16%	0.162	C	C	.	.			trans	-79.6	40.7	-172.7	35.4	-39.4	0	0	0	114.4	M359 L363 W388 F480 L481 Q482	M359-P478 HydrophobicContact CB-CG 4.43Å; L363-P478 HydrophobicContact CB-CG 4.03Å; L363-P478 HydrophobicContact CD2-CB 3.57Å; L363-P478 HydrophobicContact CD2-CG 3.77Å; W388-P478 HydrophobicContact CH2-CB 4.2Å; W388-P478 HydrophobicContact CH2-CG 3.96Å; W388-P478 HydrophobicContact CZ3-CG 4.03Å; P478-F480 PolarHBondContact O-N 2.99Å; P478-L481 HydrophobicContact CB-CB 4.02Å; P478-L481 HydrophobicContact CB-CD2 4.01Å; P478-L481 HydrophobicContact CB-CG 4.44Å; P478-L481 PolarHBondContact O-N 3.26Å; P478-Q482 WeakPolarHBondContact O-CG 3.31Å; P478-Q482 PolarHBondContact O-N 3.03Å
479	V	98.9	Very high	98.5	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.018	15%	0.15	C	C	.	.	H	α-helix	trans	-61.9	-44.7	-172.6	-177.8	0	0	0	0	112.4	I356 D422 Q426 W453 S477 F483	I356-V479 HydrophobicContact CG2-CG2 4Å; D422-V479 HydrophobicContact CB-CG1 3.96Å; D422-V479 HydrophobicContact CB-CG2 4.41Å; Q426-V479 HydrophobicContact CG-CG1 4.05Å; Q426-V479 PolarHBondContact NE2-O 3.07Å; W453-V479 HydrophobicContact CH2-CG1 4.21Å; W453-V479 HydrophobicContact CZ3-CG1 4.1Å; S477-V479 PolarHBondContact O-N 3.24Å; V479-F483 PolarHBondContact O-N 3.46Å
480	F	98.9	Very high	98.6	Very high	6 Å²	6	21.2 Å²	21.2	3%	0.026	13%	0.127	C	C	.	.	H	α-helix	trans	-72.4	-33.7	175.7	-169.8	-116.2	0	0	0	112.4	V449 W453 F460 P478 Q482 F483 I484 I508 L512 F520	V449-F480 HydrophobicContact CG1-CE2 4.2Å; V449-F480 HydrophobicContact CG1-CZ 3.9Å; V449-F480 HydrophobicContact CG2-CE2 4.24Å; V449-F480 HydrophobicContact CG2-CZ 4.05Å; W453-F480 HydrophobicContact CB-CE2 4.47Å; W453-F480 AromaticContact CD2-CD2 3.55Å; W453-F480 HydrophobicContact CD2-CD2 3.55Å; W453-F480 AromaticContact CD2-CE2 3.82Å; W453-F480 HydrophobicContact CD2-CE2 3.82Å; W453-F480 AromaticContact CE2-CD2 3.87Å; W453-F480 HydrophobicContact CE3-CB 4.42Å; W453-F480 AromaticContact CE3-CD2 3.49Å; W453-F480 HydrophobicContact CE3-CD2 3.49Å; W453-F480 VanDerWaalsContact CE3-CD2 3.49Å; W453-F480 HydrophobicContact CE3-CE2 4.21Å; W453-F480 HydrophobicContact CE3-CG 4.39Å; W453-F480 HydrophobicContact CG-CD2 4.13Å; W453-F480 AromaticContact CG-CE2 3.93Å; W453-F480 HydrophobicContact CG-CE2 3.93Å; W453-F480 HydrophobicContact CH2-CD2 4.03Å; W453-F480 HydrophobicContact CZ2-CD2 4.12Å; W453-F480 HydrophobicContact CZ3-CB 4.05Å; W453-F480 AromaticContact CZ3-CD2 3.73Å; W453-F480 HydrophobicContact CZ3-CD2 3.73Å; W453-F480 HydrophobicContact CZ3-CG 4.39Å; F460-F480 HydrophobicContact CE1-CB 3.9Å; F460-F480 AromaticContact CE1-CD1 3.72Å; F460-F480 HydrophobicContact CE1-CD1 3.72Å; F460-F480 AromaticContact CE1-CD2 3.98Å; F460-F480 HydrophobicContact CE1-CD2 3.98Å; F460-F480 HydrophobicContact CE1-CE1 4.16Å; F460-F480 HydrophobicContact CE1-CE2 4.4Å; F460-F480 AromaticContact CE1-CG 3.6Å; F460-F480 HydrophobicContact CE1-CG 3.6Å; F460-F480 HydrophobicContact CE1-CZ 4.47Å; F460-F480 HydrophobicContact CZ-CB 4.46Å; F460-F480 HydrophobicContact CZ-CD1 4.32Å; F460-F480 AromaticContact CZ-CD2 3.84Å; F460-F480 HydrophobicContact CZ-CD2 3.84Å; F460-F480 HydrophobicContact CZ-CE1 4.5Å; F460-F480 HydrophobicContact CZ-CE2 4.04Å; F460-F480 AromaticContact CZ-CG 3.97Å; F460-F480 HydrophobicContact CZ-CG 3.97Å; F460-F480 HydrophobicContact CZ-CZ 4.37Å; P478-F480 PolarHBondContact O-N 2.99Å; F480-Q482 PolarHBondContact O-N 3.45Å; F480-F483 AromaticContact CD2-CD1 3.74Å; F480-F483 HydrophobicContact CD2-CD1 3.74Å; F480-F483 HydrophobicContact CD2-CE1 4.44Å; F480-F483 AromaticContact CE2-CD1 3.54Å; F480-F483 HydrophobicContact CE2-CD1 3.54Å; F480-F483 AromaticContact CE2-CE1 3.8Å; F480-F483 HydrophobicContact CE2-CE1 3.8Å; F480-F483 HydrophobicContact CZ-CD1 4.32Å; F480-F483 HydrophobicContact CZ-CE1 4.41Å; F480-F483 WeakPolarHBondContact O-CB 3.38Å; F480-F483 PolarHBondContact O-N 3.41Å; F480-F483 VanDerWaalsContact O-N 3.14Å; F480-I484 HydrophobicContact CD1-CG1 4.23Å; F480-I484 HydrophobicContact CE1-CD1 4.13Å; F480-I484 HydrophobicContact CE1-CG1 4.01Å; F480-I484 HydrophobicContact CE2-CD1 4.38Å; F480-I484 HydrophobicContact CZ-CD1 3.92Å; F480-I484 HydrophobicContact CZ-CG1 4.24Å; F480-I484 WeakPolarHBondContact O-CG1 3.37Å; F480-I484 PolarHBondContact O-N 2.99Å; F480-I508 HydrophobicContact CE1-CG2 3.69Å; F480-I508 HydrophobicContact CZ-CG2 4.17Å; F480-L512 HydrophobicContact CD1-CD1 4.12Å; F480-L512 HydrophobicContact CD1-CD2 4.21Å; F480-F520 HydrophobicContact CE1-CD1 4.49Å; F480-F520 AromaticContact CE1-CE1 3.7Å; F480-F520 HydrophobicContact CE1-CE1 3.7Å; F480-F520 AromaticContact CE1-CZ 3.78Å; F480-F520 HydrophobicContact CE1-CZ 3.78Å; F480-F520 AromaticContact CZ-CE1 3.77Å; F480-F520 HydrophobicContact CZ-CE1 3.77Å; F480-F520 AromaticContact CZ-CZ 3.99Å; F480-F520 HydrophobicContact CZ-CZ 3.99Å
481	L	98.9	Very high	98.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.2	-44.1	173.2	169.2	61.5	0	0	0	111.4	L363 P478 F483 I484 D485 L509 Y579 Y580	L363-L481 HydrophobicContact CD1-CD2 4.37Å; L363-L481 HydrophobicContact CD2-CD2 3.9Å; P478-L481 HydrophobicContact CB-CB 4.02Å; P478-L481 HydrophobicContact CB-CD2 4.01Å; P478-L481 HydrophobicContact CB-CG 4.44Å; P478-L481 PolarHBondContact O-N 3.26Å; L481-F483 VanDerWaalsContact C-N 3.26Å; L481-F483 PolarHBondContact O-N 3.27Å; L481-I484 PolarHBondContact O-N 3.29Å; L481-D485 WeakPolarHBondContact O-CB 3.47Å; L481-D485 PolarHBondContact O-N 2.9Å; L481-L509 HydrophobicContact CB-CD2 4.23Å; L481-L509 HydrophobicContact CD1-CD1 3.55Å; L481-L509 HydrophobicContact CD1-CD2 3.76Å; L481-L509 HydrophobicContact CD1-CG 4.28Å; L481-Y579 HydrophobicContact CD1-CD1 3.97Å; L481-Y579 HydrophobicContact CD1-CE1 3.45Å; L481-Y579 VanDerWaalsContact CD1-CE1 3.45Å; L481-Y579 HydrophobicContact CD2-CE1 4.03Å; L481-Y579 HydrophobicContact CG-CE1 4.41Å; L481-Y580 HydrophobicContact CD2-CE1 4.28Å
482	Q	98.9	Very high	98.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.5	-34.6	173.8	-73.8	-178.8	-40.3	0	0	112.8	M359 W388 I392 I395 P478 F480 C486	M359-Q482 PolarHBondContact SD-NE2 3.36Å; W388-Q482 HydrophobicContact CH2-CG 3.33Å; W388-Q482 HydrophobicContact CZ2-CG 3.68Å; W388-Q482 HydrophobicContact CZ3-CG 4.03Å; I392-Q482 HydrophobicContact CD1-CB 4.06Å; I392-Q482 HydrophobicContact CD1-CG 4.12Å; I395-Q482 HydrophobicContact CD1-CB 4.05Å; P478-Q482 WeakPolarHBondContact O-CG 3.31Å; P478-Q482 PolarHBondContact O-N 3.03Å; F480-Q482 PolarHBondContact O-N 3.45Å; Q482-C486 WeakPolarHBondContact O-CB 3.39Å; Q482-C486 PolarHBondContact O-N 3.05Å; Q482-C486 PolarHBondContact O-SG 2.92Å
483	F	98.9	Very high	98.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.2	-50.3	173	160.8	-108.4	0	0	0	111.6	Q426 S429 L430 L433 F445 L448 V449 W453 V479 F480 L481 D485 C486 V487	Q426-F483 HydrophobicContact CG-CB 4.4Å; S429-F483 WeakPolarHBondContact OG-CD2 3.39Å; S429-F483 WeakPolarHBondContact OG-CE2 2.94Å; L430-F483 HydrophobicContact CD2-CD2 3.92Å; L430-F483 HydrophobicContact CD2-CE2 4.02Å; L430-F483 HydrophobicContact CG-CD2 3.91Å; L430-F483 HydrophobicContact CG-CE2 4.18Å; L433-F483 HydrophobicContact CD1-CE2 4.05Å; L433-F483 HydrophobicContact CD1-CZ 4.26Å; F445-F483 HydrophobicContact CE1-CE1 4.47Å; F445-F483 HydrophobicContact CE2-CE1 4.37Å; F445-F483 AromaticContact CE2-CZ 3.91Å; F445-F483 HydrophobicContact CE2-CZ 3.91Å; F445-F483 AromaticContact CZ-CE1 3.72Å; F445-F483 HydrophobicContact CZ-CE1 3.72Å; F445-F483 AromaticContact CZ-CZ 3.74Å; F445-F483 HydrophobicContact CZ-CZ 3.74Å; L448-F483 HydrophobicContact CD2-CZ 4.32Å; V449-F483 HydrophobicContact CG2-CE1 4.37Å; W453-F483 AromaticContact CE2-CD1 3.84Å; W453-F483 AromaticContact CE2-CG 3.87Å; W453-F483 HydrophobicContact CH2-CB 3.63Å; W453-F483 HydrophobicContact CH2-CG 4.13Å; W453-F483 HydrophobicContact CZ2-CB 3.32Å; W453-F483 AromaticContact CZ2-CD1 3.74Å; W453-F483 HydrophobicContact CZ2-CD1 3.74Å; W453-F483 AromaticContact CZ2-CD2 3.8Å; W453-F483 HydrophobicContact CZ2-CD2 3.8Å; W453-F483 HydrophobicContact CZ2-CE1 4.5Å; W453-F483 AromaticContact CZ2-CG 3.33Å; W453-F483 HydrophobicContact CZ2-CG 3.33Å; W453-F483 AromaticContact NE1-CD1 3.85Å; W453-F483 AromaticContact NE1-CE1 3.75Å; W453-F483 AromaticContact NE1-CZ 3.88Å; V479-F483 PolarHBondContact O-N 3.46Å; F480-F483 AromaticContact CD2-CD1 3.74Å; F480-F483 HydrophobicContact CD2-CD1 3.74Å; F480-F483 HydrophobicContact CD2-CE1 4.44Å; F480-F483 AromaticContact CE2-CD1 3.54Å; F480-F483 HydrophobicContact CE2-CD1 3.54Å; F480-F483 AromaticContact CE2-CE1 3.8Å; F480-F483 HydrophobicContact CE2-CE1 3.8Å; F480-F483 HydrophobicContact CZ-CD1 4.32Å; F480-F483 HydrophobicContact CZ-CE1 4.41Å; F480-F483 WeakPolarHBondContact O-CB 3.38Å; F480-F483 PolarHBondContact O-N 3.41Å; F480-F483 VanDerWaalsContact O-N 3.14Å; L481-F483 VanDerWaalsContact C-N 3.26Å; L481-F483 PolarHBondContact O-N 3.27Å; F483-D485 VanDerWaalsContact C-N 3.27Å; F483-D485 PolarHBondContact O-N 3.47Å; F483-C486 WeakPolarHBondContact O-CB 3.45Å; F483-C486 PolarHBondContact O-N 3.04Å; F483-C486 VanDerWaalsContact O-N 3.13Å; F483-V487 HydrophobicContact CD2-CG2 4.03Å; F483-V487 HydrophobicContact CE1-CG2 4.28Å; F483-V487 HydrophobicContact CE2-CG2 3.58Å; F483-V487 HydrophobicContact CZ-CG2 3.73Å; F483-V487 WeakPolarHBondContact O-CG2 3.47Å; F483-V487 PolarHBondContact O-N 3.34Å
484	I	98.9	Very high	98.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.5	-34.5	179.2	-57.9	-63	0	0	0	111.5	F445 F480 L481 V487 W488 L505 I508 L509 W576	F445-I484 HydrophobicContact CE1-CD1 4.11Å; F445-I484 HydrophobicContact CZ-CD1 3.86Å; F480-I484 HydrophobicContact CD1-CG1 4.23Å; F480-I484 HydrophobicContact CE1-CD1 4.13Å; F480-I484 HydrophobicContact CE1-CG1 4.01Å; F480-I484 HydrophobicContact CE2-CD1 4.38Å; F480-I484 HydrophobicContact CZ-CD1 3.92Å; F480-I484 HydrophobicContact CZ-CG1 4.24Å; F480-I484 WeakPolarHBondContact O-CG1 3.37Å; F480-I484 PolarHBondContact O-N 2.99Å; L481-I484 PolarHBondContact O-N 3.29Å; I484-V487 PolarHBondContact O-N 2.92Å; I484-W488 PolarHBondContact O-N 2.79Å; I484-L505 HydrophobicContact CG2-CB 3.77Å; I484-L505 HydrophobicContact CG2-CD2 4.13Å; I484-L505 HydrophobicContact CG2-CG 4.39Å; I484-I508 HydrophobicContact CD1-CG2 4.09Å; I484-I508 HydrophobicContact CG1-CG2 4.39Å; I484-L509 HydrophobicContact CB-CD1 4.14Å; I484-L509 HydrophobicContact CB-CD2 4.01Å; I484-L509 HydrophobicContact CB-CG 4.2Å; I484-L509 HydrophobicContact CG1-CD2 3.92Å; I484-L509 HydrophobicContact CG1-CG 4.35Å; I484-L509 HydrophobicContact CG2-CD1 3.72Å; I484-L509 HydrophobicContact CG2-CD2 4.3Å; I484-L509 HydrophobicContact CG2-CG 3.93Å; I484-W576 HydrophobicContact CG2-CH2 3.77Å; I484-W576 HydrophobicContact CG2-CZ3 3.84Å
485	D	98.9	Very high	98.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.6	-53.9	169.3	-170.1	-38.1	0	0	0	110.7	W388 I392 L481 F483 V487 W488 Q489 W576 Y580	W388-D485 PolarHBondContact NE1-OD2 3.47Å; I392-D485 HydrophobicContact CD1-CB 3.78Å; L481-D485 WeakPolarHBondContact O-CB 3.47Å; L481-D485 PolarHBondContact O-N 2.9Å; F483-D485 VanDerWaalsContact C-N 3.27Å; F483-D485 PolarHBondContact O-N 3.47Å; D485-V487 PolarHBondContact O-N 2.92Å; D485-W488 CarbonylContact O-C 3.51Å; D485-W488 WeakPolarHBondContact O-CA 3.25Å; D485-W488 WeakPolarHBondContact O-CB 3.26Å; D485-W488 PolarHBondContact O-N 3.26Å; D485-Q489 WeakPolarHBondContact O-CG 3.38Å; D485-Q489 PolarHBondContact O-N 2.86Å; D485-Q489 PolarHBondContact OD1-NE2 3.21Å; D485-W576 HydrophobicContact CB-CE3 4.38Å; D485-Y580 VanDerWaalsContact OD2-CE2 3.23Å; D485-Y580 WeakPolarHBondContact OD2-CE2 3.37Å; D485-Y580 PolarHBondContact OD2-OH 2.84Å
486	C	98.9	Very high	98.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-55.3	-36.9	174.7	-68.5	0	0	0	0	113.4	L396 L430 Q482 F483 M490	L396-C486 HydrophobicContact CD1-CB 4.39Å; L396-C486 HydrophobicContact CD2-CB 3.87Å; L396-C486 HydrophobicContact CG-CB 3.93Å; L430-C486 HydrophobicContact CD1-CB 3.63Å; L430-C486 HydrophobicContact CD2-CB 3.66Å; L430-C486 HydrophobicContact CG-CB 4.31Å; Q482-C486 WeakPolarHBondContact O-CB 3.39Å; Q482-C486 PolarHBondContact O-N 3.05Å; Q482-C486 PolarHBondContact O-SG 2.92Å; F483-C486 WeakPolarHBondContact O-CB 3.45Å; F483-C486 PolarHBondContact O-N 3.04Å; F483-C486 VanDerWaalsContact O-N 3.13Å; C486-M490 PolarHBondContact O-N 3.45Å
487	V	98.9	Very high	98.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-65.3	-46.6	173.3	175.6	0	0	0	0	110.6	L430 L433 F445 F483 I484 D485 Q489 M490 T491 F500 L505	L430-V487 HydrophobicContact CD2-CG2 4Å; L433-V487 HydrophobicContact CD1-CG2 3.69Å; F445-V487 HydrophobicContact CE2-CB 4.35Å; F445-V487 HydrophobicContact CE2-CG1 3.7Å; F445-V487 HydrophobicContact CE2-CG2 3.78Å; F445-V487 HydrophobicContact CZ-CG1 4.12Å; F445-V487 HydrophobicContact CZ-CG2 4.05Å; F483-V487 HydrophobicContact CD2-CG2 4.03Å; F483-V487 HydrophobicContact CE1-CG2 4.28Å; F483-V487 HydrophobicContact CE2-CG2 3.58Å; F483-V487 HydrophobicContact CZ-CG2 3.73Å; F483-V487 WeakPolarHBondContact O-CG2 3.47Å; F483-V487 PolarHBondContact O-N 3.34Å; I484-V487 PolarHBondContact O-N 2.92Å; D485-V487 PolarHBondContact O-N 2.92Å; V487-Q489 VanDerWaalsContact C-N 3.34Å; V487-Q489 PolarHBondContact O-N 3Å; V487-M490 HydrophobicContact CG2-CE 4.38Å; V487-M490 WeakPolarHBondContact O-CA 3.26Å; V487-M490 WeakPolarHBondContact O-CB 3.39Å; V487-M490 PolarHBondContact O-N 3.34Å; V487-T491 PolarHBondContact O-N 3.25Å; V487-F500 HydrophobicContact CG1-CE2 3.74Å; V487-F500 HydrophobicContact CG1-CZ 3.77Å; V487-L505 HydrophobicContact CG1-CD1 4.06Å; V487-L505 HydrophobicContact CG1-CD2 3.91Å
488	W	98.9	Very high	98.3	Very high	10 Å²	10	18.1 Å²	18.1	4%	0.038	9%	0.091	C	C	.	.	H	α-helix	trans	-57.2	-44.8	175.2	177	86.4	0	0	0	111.6	I484 D485 M490 T491 R492 E502 L505 E574 W576	I484-W488 PolarHBondContact O-N 2.79Å; D485-W488 CarbonylContact O-C 3.51Å; D485-W488 WeakPolarHBondContact O-CA 3.25Å; D485-W488 WeakPolarHBondContact O-CB 3.26Å; D485-W488 PolarHBondContact O-N 3.26Å; W488-M490 PolarHBondContact O-N 3.25Å; W488-T491 WeakPolarHBondContact CA-OG1 3.5Å; W488-T491 WeakPolarHBondContact O-CA 3.15Å; W488-T491 PolarHBondContact O-N 3.02Å; W488-T491 PolarHBondContact O-OG1 3.02Å; W488-R492 HydrophobicContact CD2-CG 3.83Å; W488-R492 HydrophobicContact CE3-CG 4.03Å; W488-R492 HydrophobicContact CH2-CG 3.81Å; W488-R492 VanDerWaalsContact CZ2-CD 3.44Å; W488-R492 HydrophobicContact CZ2-CG 3.63Å; W488-R492 HydrophobicContact CZ3-CG 4.01Å; W488-R492 WeakPolarHBondContact O-CG 3.32Å; W488-R492 PolarHBondContact O-N 2.97Å; W488-E502 PolarHBondContact NE1-OE1 2.85Å; W488-L505 HydrophobicContact CB-CD1 4.01Å; W488-E574 HydrophobicContact CH2-CB 3.7Å; W488-E574 HydrophobicContact CZ3-CB 3.87Å; W488-W576 HydrophobicContact CB-CD2 4.07Å; W488-W576 HydrophobicContact CB-CE3 4.04Å; W488-W576 HydrophobicContact CB-CH2 4.21Å; W488-W576 HydrophobicContact CB-CZ2 4.21Å; W488-W576 HydrophobicContact CB-CZ3 4.12Å; W488-W576 AromaticContact CD1-CD1 3.82Å; W488-W576 AromaticContact CD1-CD2 3.94Å; W488-W576 AromaticContact CD1-CE2 3.38Å; W488-W576 AromaticContact CD1-CZ2 3.7Å; W488-W576 AromaticContact CD1-NE1 3.34Å; W488-W576 VanDerWaalsContact CD1-NE1 3.34Å; W488-W576 HydrophobicContact CD2-CB 3.94Å; W488-W576 AromaticContact CD2-CD1 3.61Å; W488-W576 AromaticContact CD2-CD2 3.83Å; W488-W576 HydrophobicContact CD2-CD2 3.83Å; W488-W576 AromaticContact CD2-CG 3.54Å; W488-W576 HydrophobicContact CD2-CG 3.54Å; W488-W576 AromaticContact CD2-NE1 3.94Å; W488-W576 AromaticContact CE2-CD1 3.17Å; W488-W576 AromaticContact CE2-CG 3.62Å; W488-W576 AromaticContact CE2-NE1 3.52Å; W488-W576 HydrophobicContact CE3-CB 3.69Å; W488-W576 HydrophobicContact CE3-CD2 4.35Å; W488-W576 AromaticContact CE3-CG 3.85Å; W488-W576 HydrophobicContact CE3-CG 3.85Å; W488-W576 AromaticContact CG-CD2 3.68Å; W488-W576 HydrophobicContact CG-CD2 3.68Å; W488-W576 AromaticContact CG-CE2 3.61Å; W488-W576 HydrophobicContact CG-CE3 4.16Å; W488-W576 AromaticContact CG-CG 3.94Å; W488-W576 HydrophobicContact CG-CG 3.94Å; W488-W576 HydrophobicContact CG-CZ2 4.03Å; W488-W576 AromaticContact CG-NE1 3.83Å; W488-W576 HydrophobicContact CH2-CB 4.01Å; W488-W576 HydrophobicContact CH2-CG 4.3Å; W488-W576 HydrophobicContact CZ2-CB 4.2Å; W488-W576 AromaticContact CZ2-CD1 3.47Å; W488-W576 VanDerWaalsContact CZ2-CD1 3.47Å; W488-W576 AromaticContact CZ2-CG 3.99Å; W488-W576 HydrophobicContact CZ2-CG 3.99Å; W488-W576 HydrophobicContact CZ3-CB 3.74Å; W488-W576 HydrophobicContact CZ3-CG 4.22Å; W488-W576 AromaticContact NE1-CD1 3.3Å; W488-W576 VanDerWaalsContact NE1-CD1 3.3Å; W488-W576 AromaticContact NE1-CE2 3.67Å; W488-W576 AromaticContact NE1-CG 3.98Å; W488-W576 AromaticContact NE1-NE1 3.09Å
489	Q	98.9	Very high	98.2	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-54.3	-40.8	174.3	-55.5	-65.8	-24.1	0	0	111.8	I392 L396 D485 V487 R492 Q493 L573 E574	I392-Q489 HydrophobicContact CG2-CG 3.86Å; L396-Q489 HydrophobicContact CD1-CB 3.89Å; L396-Q489 HydrophobicContact CD1-CG 4.04Å; D485-Q489 WeakPolarHBondContact O-CG 3.38Å; D485-Q489 PolarHBondContact O-N 2.86Å; D485-Q489 PolarHBondContact OD1-NE2 3.21Å; V487-Q489 VanDerWaalsContact C-N 3.34Å; V487-Q489 PolarHBondContact O-N 3Å; Q489-R492 PolarHBondContact O-N 3.13Å; Q489-Q493 WeakPolarHBondContact O-CG 3.41Å; Q489-Q493 PolarHBondContact O-N 2.88Å; Q489-Q493 VanDerWaalsContact O-N 3.14Å; Q489-L573 HydrophobicContact CB-CD2 3.95Å; Q489-L573 HydrophobicContact CG-CD2 3.86Å; Q489-E574 PolarHBondContact NE2-O 3.1Å; Q489-E574 PolarHBondContact OE1-O 3.46Å
490	M	98.8	Very high	98.2	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-68.5	-38.5	175.1	-65.2	-171	-65.9	0	0	112.4	L396 L430 L433 M434 C486 V487 W488 R492 Q493 F494 F498 P566	L396-M490 HydrophobicContact CD2-CG 4.2Å; L396-M490 HydrophobicContact CD2-SD 4.42Å; L430-M490 HydrophobicContact CD2-CE 3.59Å; L433-M490 HydrophobicContact CB-CE 3.95Å; L433-M490 HydrophobicContact CD1-CE 3.92Å; M434-M490 HydrophobicContact CE-SD 3.93Å; M434-M490 HydrophobicContact CG-SD 4.07Å; C486-M490 PolarHBondContact O-N 3.45Å; V487-M490 HydrophobicContact CG2-CE 4.38Å; V487-M490 WeakPolarHBondContact O-CA 3.26Å; V487-M490 WeakPolarHBondContact O-CB 3.39Å; V487-M490 PolarHBondContact O-N 3.34Å; W488-M490 PolarHBondContact O-N 3.25Å; M490-R492 VanDerWaalsContact C-N 3.27Å; M490-R492 PolarHBondContact O-N 3.36Å; M490-Q493 PolarHBondContact O-N 3.41Å; M490-F494 WeakPolarHBondContact O-CB 3.33Å; M490-F494 WeakPolarHBondContact O-CD2 3.5Å; M490-F494 PolarHBondContact O-N 2.91Å; M490-F498 HydrophobicContact CB-CE2 3.84Å; M490-F498 HydrophobicContact CB-CZ 3.66Å; M490-F498 HydrophobicContact CE-CZ 4.33Å; M490-P566 HydrophobicContact CG-CB 4.17Å; M490-P566 HydrophobicContact CG-CG 3.96Å; M490-P566 HydrophobicContact SD-CG 4.1Å
491	T	98.4	Very high	98.1	Very high	23 Å²	23	20 Å²	20	14%	0.141	10%	0.099	C	C	.	.	H	α-helix	trans	-64.1	-31.6	174	68.4	0	0	0	0	112.6	V487 W488 F494 P495 F498 F500 L505	V487-T491 PolarHBondContact O-N 3.25Å; W488-T491 WeakPolarHBondContact CA-OG1 3.5Å; W488-T491 WeakPolarHBondContact O-CA 3.15Å; W488-T491 PolarHBondContact O-N 3.02Å; W488-T491 PolarHBondContact O-OG1 3.02Å; T491-F494 CarbonylContact O-C 3.58Å; T491-P495 WeakPolarHBondContact O-CA 3.36Å; T491-F498 HydrophobicContact CG2-CB 4.22Å; T491-F498 HydrophobicContact CG2-CD1 4.5Å; T491-F498 HydrophobicContact CG2-CD2 3.81Å; T491-F498 HydrophobicContact CG2-CE2 4.28Å; T491-F498 HydrophobicContact CG2-CG 3.93Å; T491-F500 HydrophobicContact CG2-CD2 4.47Å; T491-F500 HydrophobicContact CG2-CE2 3.83Å; T491-L505 HydrophobicContact CG2-CD1 4.32Å
492	R	98.3	Very high	98.1	Very high	124 Å²	124	22.7 Å²	22.7	47%	0.468	11%	0.111	S	C	.	.	H	α-helix	trans	-68	-43.1	174.6	-65.2	-67.7	-67.5	135.2	11.5	111.8	W488 Q489 M490 E574	W488-R492 HydrophobicContact CD2-CG 3.83Å; W488-R492 HydrophobicContact CE3-CG 4.03Å; W488-R492 HydrophobicContact CH2-CG 3.81Å; W488-R492 VanDerWaalsContact CZ2-CD 3.44Å; W488-R492 HydrophobicContact CZ2-CG 3.63Å; W488-R492 HydrophobicContact CZ3-CG 4.01Å; W488-R492 WeakPolarHBondContact O-CG 3.32Å; W488-R492 PolarHBondContact O-N 2.97Å; Q489-R492 PolarHBondContact O-N 3.13Å; M490-R492 VanDerWaalsContact C-N 3.27Å; M490-R492 PolarHBondContact O-N 3.36Å; R492-E574 IonicContact CZ-OE1 3.63Å; R492-E574 IonicContact CZ-OE2 3.2Å; R492-E574 VanDerWaalsContact CZ-OE2 3.28Å; R492-E574 IonicContact NE-OE1 2.77Å; R492-E574 IonicContact NE-OE2 3.88Å; R492-E574 PolarHBondContact NE-OE2 3.31Å; R492-E574 VanDerWaalsContact NH2-CD 3.29Å; R492-E574 IonicContact NH2-OE1 3.78Å; R492-E574 PolarHBondContact NH2-OE1 2.93Å; R492-E574 IonicContact NH2-OE2 3.54Å; R492-E574 PolarHBondContact NH2-OE2 3.45Å
493	Q	97.9	Very high	98	Very high	52 Å²	52	26.1 Å²	26.1	24%	0.243	13%	0.125	C	C	.	.	H	α-helix	trans	-79.4	-25.8	-179.9	-64.1	-177.5	16.6	0	0	113.2	Q489 M490 V567 H572	Q489-Q493 WeakPolarHBondContact O-CG 3.41Å; Q489-Q493 PolarHBondContact O-N 2.88Å; Q489-Q493 VanDerWaalsContact O-N 3.14Å; M490-Q493 PolarHBondContact O-N 3.41Å; Q493-V567 PolarHBondContact NE2-O 3.43Å; Q493-H572 PolarHBondContact NE2-O 3.48Å
494	F	97.1	Very high	98	Very high	25 Å²	25	26.1 Å²	26.1	11%	0.11	13%	0.125	C	C	.	.			trans	-129.1	68.4	-178.1	-53.9	-70.1	0	0	0	112.1	M490 T491 T496 A497 F498 Y559 L564 P566	M490-F494 WeakPolarHBondContact O-CB 3.33Å; M490-F494 WeakPolarHBondContact O-CD2 3.5Å; M490-F494 PolarHBondContact O-N 2.91Å; T491-F494 CarbonylContact O-C 3.58Å; F494-T496 PolarHBondContact O-N 3.24Å; F494-A497 HydrophobicContact CB-CB 3.7Å; F494-A497 PolarHBondContact O-N 3.45Å; F494-F498 HydrophobicContact CB-CE2 4.3Å; F494-Y559 HydrophobicContact CD1-CE2 4.36Å; F494-Y559 AromaticContact CD1-CZ 3.93Å; F494-Y559 VanDerWaalsContact CD1-OH 3.27Å; F494-Y559 WeakPolarHBondContact CD1-OH 3.41Å; F494-Y559 WeakPolarHBondContact CE1-OH 3.37Å; F494-L564 HydrophobicContact CB-CD1 4.26Å; F494-L564 HydrophobicContact CB-CD2 4.44Å; F494-L564 HydrophobicContact CD1-CD2 4.09Å; F494-L564 HydrophobicContact CD2-CB 4.16Å; F494-L564 HydrophobicContact CD2-CD1 3.91Å; F494-L564 HydrophobicContact CD2-CD2 4.33Å; F494-L564 HydrophobicContact CD2-CG 4.37Å; F494-L564 HydrophobicContact CE1-CD2 4.43Å; F494-L564 HydrophobicContact CE2-CB 3.97Å; F494-L564 HydrophobicContact CG-CD1 4.14Å; F494-L564 HydrophobicContact CG-CD2 4.03Å; F494-L564 HydrophobicContact CZ-CB 4.33Å; F494-P566 HydrophobicContact CE2-CB 3.93Å; F494-P566 HydrophobicContact CE2-CG 4.49Å
495	P	95.8	Very high	98	Very high	67 Å²	67	26.1 Å²	26.1	44%	0.435	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-10.7	-168.6	26.2	-36.6	0	0	0	115.6	T491 N553	T491-P495 WeakPolarHBondContact O-CA 3.36Å; P495-N553 PolarHBondContact O-ND2 3.3Å
496	T	95.2	Very high	98	Very high	54 Å²	54	27 Å²	27	33%	0.331	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-5.4	178.8	54.1	0	0	0	0	113.4	F494 L555 Y559	F494-T496 PolarHBondContact O-N 3.24Å; T496-L555 WeakPolarHBondContact CA-O 3.32Å; T496-L555 WeakPolarHBondContact CB-O 3.46Å; T496-L555 HydrophobicContact CG2-CB 4.12Å; T496-L555 WeakPolarHBondContact CG2-O 3.44Å; T496-Y559 WeakPolarHBondContact OG1-CD2 3.45Å
497	A	97	Very high	98	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-91.5	-10.2	-169.5	0	0	0	0	0	114.9	R440 F494 Y559 L564	R440-A497 WeakPolarHBondContact CB-O 3.48Å; R440-A497 PolarHBondContact NH1-O 2.76Å; F494-A497 HydrophobicContact CB-CB 3.7Å; F494-A497 PolarHBondContact O-N 3.45Å; A497-Y559 HydrophobicContact CB-CD1 4.28Å; A497-Y559 HydrophobicContact CB-CD2 3.95Å; A497-Y559 HydrophobicContact CB-CE2 4.35Å; A497-Y559 HydrophobicContact CB-CG 3.92Å; A497-L564 HydrophobicContact CB-CD1 3.9Å; A497-L564 HydrophobicContact CB-CD2 3.95Å
498	F	97.9	Very high	98	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.009	13%	0.131	C	C	.	.			trans	-120.7	134.8	-179.2	-61.6	-90.1	0	0	0	110.3	L433 R440 M490 T491 F494 F500 N553 Y556 L564	L433-F498 HydrophobicContact CD2-CE1 4.32Å; R440-F498 HydrophobicContact CB-CD1 3.73Å; R440-F498 HydrophobicContact CB-CE1 4.11Å; R440-F498 HydrophobicContact CB-CG 4.43Å; R440-F498 HydrophobicContact CG-CD1 3.78Å; R440-F498 HydrophobicContact CG-CE1 3.61Å; R440-F498 HydrophobicContact CG-CZ 4.37Å; R440-F498 WeakPolarHBondContact O-CA 3.36Å; M490-F498 HydrophobicContact CB-CE2 3.84Å; M490-F498 HydrophobicContact CB-CZ 3.66Å; M490-F498 HydrophobicContact CE-CZ 4.33Å; T491-F498 HydrophobicContact CG2-CB 4.22Å; T491-F498 HydrophobicContact CG2-CD1 4.5Å; T491-F498 HydrophobicContact CG2-CD2 3.81Å; T491-F498 HydrophobicContact CG2-CE2 4.28Å; T491-F498 HydrophobicContact CG2-CG 3.93Å; F494-F498 HydrophobicContact CB-CE2 4.3Å; F498-F500 HydrophobicContact CB-CD2 4.44Å; F498-F500 HydrophobicContact CB-CE1 4.33Å; F498-F500 HydrophobicContact CB-CE2 4.17Å; F498-F500 HydrophobicContact CB-CZ 4.13Å; F498-F500 AromaticContact CD1-CE1 3.77Å; F498-F500 HydrophobicContact CD1-CE1 3.77Å; F498-F500 AromaticContact CD1-CE2 3.98Å; F498-F500 HydrophobicContact CD1-CE2 3.98Å; F498-F500 AromaticContact CD1-CZ 3.31Å; F498-F500 HydrophobicContact CD1-CZ 3.31Å; F498-F500 HydrophobicContact CE1-CZ 4.01Å; F498-F500 HydrophobicContact CG-CE2 4.29Å; F498-F500 HydrophobicContact CG-CZ 4.03Å; F498-N553 PolarHBondContact O-ND2 3.32Å; F498-Y556 WeakPolarHBondContact O-CD2 3.31Å; F498-L564 HydrophobicContact CE2-CD1 3.71Å; F498-L564 HydrophobicContact CZ-CD1 3.68Å
499	E	97.8	Very high	98	Very high	54 Å²	54	26.8 Å²	26.8	25%	0.252	13%	0.129	S	C	.	.	S	Bend	trans	-75.5	-31.5	178.2	-172.3	177.2	-131.9	0	0	111.9	R440 T441 I442 T552 N553 Y556	R440-E499 PolarHBondContact O-N 3.15Å; T441-E499 VanDerWaalsContact CA-OE2 3.31Å; T441-E499 WeakPolarHBondContact CA-OE2 3.32Å; T441-E499 VanDerWaalsContact CB-OE2 3.26Å; T441-E499 WeakPolarHBondContact CB-OE2 3.42Å; I442-E499 HydrophobicContact CD1-CG 4.03Å; I442-E499 HydrophobicContact CG1-CB 4.29Å; I442-E499 HydrophobicContact CG1-CG 4.01Å; I442-E499 PolarHBondContact N-OE2 2.68Å; E499-T552 CarbonylContact O-C 3.58Å; E499-T552 WeakPolarHBondContact O-CA 3.46Å; E499-N553 WeakPolarHBondContact O-CB 3.4Å; E499-N553 PolarHBondContact O-N 3.41Å; E499-Y556 VanDerWaalsContact CA-CG 3.45Å; E499-Y556 HydrophobicContact CB-CD1 3.64Å; E499-Y556 HydrophobicContact CB-CD2 4.08Å; E499-Y556 HydrophobicContact CB-CE1 3.69Å; E499-Y556 HydrophobicContact CB-CE2 4.12Å; E499-Y556 HydrophobicContact CB-CG 3.84Å; E499-Y556 HydrophobicContact CG-CD1 3.63Å; E499-Y556 HydrophobicContact CG-CE1 3.84Å; E499-Y556 HydrophobicContact CG-CG 4.21Å; E499-Y556 VanDerWaalsContact N-CD2 3.34Å
500	F	98.5	Very high	98	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.009	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-81.7	151.6	175.5	54.9	-97.9	0	0	0	112.2	I442 F445 V487 T491 F498 F504 L505 F551	I442-F500 HydrophobicContact CG1-CB 3.91Å; F445-F500 HydrophobicContact CB-CD1 3.93Å; F445-F500 HydrophobicContact CB-CE1 3.62Å; F445-F500 HydrophobicContact CD2-CD1 4.41Å; F445-F500 AromaticContact CD2-CE1 3.46Å; F445-F500 HydrophobicContact CD2-CE1 3.46Å; F445-F500 VanDerWaalsContact CD2-CE1 3.46Å; F445-F500 AromaticContact CD2-CZ 3.53Å; F445-F500 HydrophobicContact CD2-CZ 3.53Å; F445-F500 HydrophobicContact CE2-CE1 4.29Å; F445-F500 AromaticContact CE2-CZ 3.91Å; F445-F500 HydrophobicContact CE2-CZ 3.91Å; F445-F500 HydrophobicContact CG-CD1 4.2Å; F445-F500 AromaticContact CG-CE1 3.65Å; F445-F500 HydrophobicContact CG-CE1 3.65Å; F445-F500 HydrophobicContact CG-CZ 4.08Å; V487-F500 HydrophobicContact CG1-CE2 3.74Å; V487-F500 HydrophobicContact CG1-CZ 3.77Å; T491-F500 HydrophobicContact CG2-CD2 4.47Å; T491-F500 HydrophobicContact CG2-CE2 3.83Å; F498-F500 HydrophobicContact CB-CD2 4.44Å; F498-F500 HydrophobicContact CB-CE1 4.33Å; F498-F500 HydrophobicContact CB-CE2 4.17Å; F498-F500 HydrophobicContact CB-CZ 4.13Å; F498-F500 AromaticContact CD1-CE1 3.77Å; F498-F500 HydrophobicContact CD1-CE1 3.77Å; F498-F500 AromaticContact CD1-CE2 3.98Å; F498-F500 HydrophobicContact CD1-CE2 3.98Å; F498-F500 AromaticContact CD1-CZ 3.31Å; F498-F500 HydrophobicContact CD1-CZ 3.31Å; F498-F500 HydrophobicContact CE1-CZ 4.01Å; F498-F500 HydrophobicContact CG-CE2 4.29Å; F498-F500 HydrophobicContact CG-CZ 4.03Å; F500-F504 HydrophobicContact CB-CB 4Å; F500-F504 HydrophobicContact CB-CD1 3.35Å; F500-F504 HydrophobicContact CB-CD2 4.33Å; F500-F504 HydrophobicContact CB-CE1 3.74Å; F500-F504 HydrophobicContact CB-CG 3.67Å; F500-F504 HydrophobicContact CB-CZ 4.36Å; F500-F504 HydrophobicContact CD1-CD1 4.32Å; F500-F504 AromaticContact CD1-CE1 3.93Å; F500-F504 HydrophobicContact CD1-CE1 3.93Å; F500-F504 AromaticContact CD2-CD1 3.74Å; F500-F504 HydrophobicContact CD2-CD1 3.74Å; F500-F504 HydrophobicContact CD2-CE1 4.04Å; F500-F504 AromaticContact CG-CD1 3.55Å; F500-F504 HydrophobicContact CG-CD1 3.55Å; F500-F504 AromaticContact CG-CE1 3.63Å; F500-F504 HydrophobicContact CG-CE1 3.63Å; F500-F504 HydrophobicContact CG-CG 4.37Å; F500-L505 HydrophobicContact CD2-CD1 4.46Å; F500-L505 HydrophobicContact CD2-CD2 3.93Å; F500-L505 HydrophobicContact CD2-CG 4.12Å; F500-L505 HydrophobicContact CE2-CD1 4.19Å; F500-L505 HydrophobicContact CE2-CD2 3.74Å; F500-L505 HydrophobicContact CE2-CG 4.17Å; F500-F551 CarbonylContact C-O 3.56Å; F500-F551 VanDerWaalsContact CA-O 3.27Å; F500-F551 WeakPolarHBondContact CA-O 3.29Å
501	N	97.8	Very high	98	Very high	7 Å²	7	30.3 Å²	30.3	4%	0.037	15%	0.147	C	C	.	.			trans	-101.2	-179.1	176.8	67	32.4	0	0	0	112.7	Y503 F504 D550 F551 T552 N553 Y597	N501-Y503 VanDerWaalsContact C-N 3.29Å; N501-Y503 PolarHBondContact O-N 3Å; N501-Y503 WeakPolarHBondContact OD1-CA 3.36Å; N501-Y503 VanDerWaalsContact OD1-CB 3.32Å; N501-Y503 WeakPolarHBondContact OD1-CB 3.38Å; N501-Y503 PolarHBondContact OD1-N 3.07Å; N501-F504 WeakPolarHBondContact O-CB 3.38Å; N501-F504 PolarHBondContact O-N 3.03Å; N501-F504 PolarHBondContact OD1-N 3.12Å; N501-D550 PolarHBondContact ND2-O 2.88Å; N501-F551 PolarHBondContact N-O 3.07Å; N501-F551 PolarHBondContact ND2-O 3.49Å; N501-F551 PolarHBondContact OD1-O 2.93Å; N501-T552 PolarHBondContact ND2-O 3.36Å; N501-N553 HydrophobicContact CB-CB 4.36Å; N501-Y597 HydrophobicContact CB-CD2 3.84Å; N501-Y597 HydrophobicContact CB-CE2 3.8Å
502	E	97.7	Very high	98	Very high	55 Å²	55	29.4 Å²	29.4	26%	0.257	14%	0.141	S	C	.	.	H	α-helix	trans	-62.1	-34.7	177.2	179.8	177.7	-127.4	0	0	112.8	W488 F504 L505 I506 W576	W488-E502 PolarHBondContact NE1-OE1 2.85Å; E502-F504 VanDerWaalsContact C-N 3.33Å; E502-F504 PolarHBondContact O-N 3.3Å; E502-L505 PolarHBondContact O-N 3.41Å; E502-L505 VanDerWaalsContact O-N 3.16Å; E502-I506 HydrophobicContact CG-CD1 3.86Å; E502-I506 HydrophobicContact CG-CG1 4.31Å; E502-I506 WeakPolarHBondContact O-CG1 3.48Å; E502-I506 PolarHBondContact O-N 2.92Å; E502-W576 HydrophobicContact CG-CZ2 4.14Å; E502-W576 PolarHBondContact OE1-NE1 2.69Å
503	Y	97.8	Very high	98	Very high	72 Å²	72	24.2 Å²	24.2	28%	0.282	12%	0.122	S	C	.	.	H	α-helix	trans	-66.6	-34.3	-178	-177.4	-116.2	0	0	0	112.1	N501 I506 T507 D550 F551 H594	N501-Y503 VanDerWaalsContact C-N 3.29Å; N501-Y503 PolarHBondContact O-N 3Å; N501-Y503 WeakPolarHBondContact OD1-CA 3.36Å; N501-Y503 VanDerWaalsContact OD1-CB 3.32Å; N501-Y503 WeakPolarHBondContact OD1-CB 3.38Å; N501-Y503 PolarHBondContact OD1-N 3.07Å; Y503-I506 PolarHBondContact O-N 2.93Å; Y503-T507 WeakPolarHBondContact O-CB 3.42Å; Y503-T507 PolarHBondContact O-N 2.81Å; Y503-T507 PolarHBondContact O-OG1 2.78Å; Y503-D550 HydrophobicContact CD1-CB 4.25Å; Y503-D550 HydrophobicContact CE1-CB 4.13Å; Y503-F551 AromaticContact CD1-CD1 3.92Å; Y503-F551 HydrophobicContact CD1-CD1 3.92Å; Y503-F551 AromaticContact CD1-CE1 3.65Å; Y503-F551 HydrophobicContact CD1-CE1 3.65Å; Y503-F551 HydrophobicContact CE1-CD1 4.33Å; Y503-F551 AromaticContact CE1-CE1 3.62Å; Y503-F551 HydrophobicContact CE1-CE1 3.62Å; Y503-F551 HydrophobicContact CE1-CZ 4.22Å; Y503-H594 HydrophobicContact CD1-CB 4.14Å; Y503-H594 AromaticContact CD1-CG 3.89Å; Y503-H594 AromaticContact CD1-ND1 3.79Å; Y503-H594 AromaticContact CD2-CE1 3.7Å; Y503-H594 AromaticContact CD2-ND1 3.4Å; Y503-H594 WeakPolarHBondContact CD2-ND1 3.47Å; Y503-H594 AromaticContact CE2-CE1 3.63Å; Y503-H594 AromaticContact CE2-ND1 3.83Å; Y503-H594 HydrophobicContact CG-CB 4.14Å; Y503-H594 AromaticContact CG-CG 3.88Å; Y503-H594 AromaticContact CG-ND1 3.39Å; Y503-H594 AromaticContact CZ-CE1 3.89Å
504	F	98.8	Very high	98.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-58.3	-48.5	168.8	170	-97.1	0	0	0	112.3	I442 F445 E446 F500 N501 E502 I506 T507 I508 I544 F551	I442-F504 HydrophobicContact CG2-CE2 4Å; F445-F504 HydrophobicContact CB-CE1 4.4Å; F445-F504 HydrophobicContact CB-CZ 4.34Å; F445-F504 AromaticContact CD1-CE1 3.48Å; F445-F504 HydrophobicContact CD1-CE1 3.48Å; F445-F504 VanDerWaalsContact CD1-CE1 3.48Å; F445-F504 AromaticContact CD1-CZ 3.7Å; F445-F504 HydrophobicContact CD1-CZ 3.7Å; F445-F504 AromaticContact CE1-CE1 3.96Å; F445-F504 HydrophobicContact CE1-CE1 3.96Å; F445-F504 HydrophobicContact CE1-CZ 4.46Å; F445-F504 HydrophobicContact CG-CE1 4.05Å; F445-F504 HydrophobicContact CG-CZ 4.32Å; E446-F504 HydrophobicContact CG-CE2 4.24Å; E446-F504 HydrophobicContact CG-CZ 4.17Å; F500-F504 HydrophobicContact CB-CB 4Å; F500-F504 HydrophobicContact CB-CD1 3.35Å; F500-F504 HydrophobicContact CB-CD2 4.33Å; F500-F504 HydrophobicContact CB-CE1 3.74Å; F500-F504 HydrophobicContact CB-CG 3.67Å; F500-F504 HydrophobicContact CB-CZ 4.36Å; F500-F504 HydrophobicContact CD1-CD1 4.32Å; F500-F504 AromaticContact CD1-CE1 3.93Å; F500-F504 HydrophobicContact CD1-CE1 3.93Å; F500-F504 AromaticContact CD2-CD1 3.74Å; F500-F504 HydrophobicContact CD2-CD1 3.74Å; F500-F504 HydrophobicContact CD2-CE1 4.04Å; F500-F504 AromaticContact CG-CD1 3.55Å; F500-F504 HydrophobicContact CG-CD1 3.55Å; F500-F504 AromaticContact CG-CE1 3.63Å; F500-F504 HydrophobicContact CG-CE1 3.63Å; F500-F504 HydrophobicContact CG-CG 4.37Å; N501-F504 WeakPolarHBondContact O-CB 3.38Å; N501-F504 PolarHBondContact O-N 3.03Å; N501-F504 PolarHBondContact OD1-N 3.12Å; E502-F504 VanDerWaalsContact C-N 3.33Å; E502-F504 PolarHBondContact O-N 3.3Å; F504-I506 PolarHBondContact O-N 3.16Å; F504-T507 PolarHBondContact O-N 2.94Å; F504-I508 HydrophobicContact CD1-CD1 3.95Å; F504-I508 HydrophobicContact CD2-CD1 4.47Å; F504-I508 HydrophobicContact CE1-CD1 3.52Å; F504-I508 HydrophobicContact CE2-CD1 4.07Å; F504-I508 HydrophobicContact CG-CD1 4.43Å; F504-I508 HydrophobicContact CZ-CD1 3.59Å; F504-I508 WeakPolarHBondContact O-CG1 3.38Å; F504-I508 PolarHBondContact O-N 2.99Å; F504-I544 HydrophobicContact CD2-CD1 4.03Å; F504-I544 HydrophobicContact CD2-CG2 3.86Å; F504-I544 HydrophobicContact CE2-CD1 4.06Å; F504-I544 HydrophobicContact CE2-CG2 3.87Å; F504-F551 HydrophobicContact CB-CB 4.01Å; F504-F551 HydrophobicContact CB-CD1 3.89Å; F504-F551 HydrophobicContact CB-CG 4.34Å; F504-F551 HydrophobicContact CD2-CB 4.12Å; F504-F551 HydrophobicContact CD2-CD1 4.42Å; F504-F551 HydrophobicContact CD2-CG 4.35Å
505	L	98.9	Very high	98.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65	-40.3	179.8	-60.7	179.7	0	0	0	112	F445 I484 V487 W488 T491 F500 E502 I508 L509 W576	F445-L505 HydrophobicContact CE1-CD2 4.36Å; F445-L505 HydrophobicContact CZ-CD2 4.18Å; I484-L505 HydrophobicContact CG2-CB 3.77Å; I484-L505 HydrophobicContact CG2-CD2 4.13Å; I484-L505 HydrophobicContact CG2-CG 4.39Å; V487-L505 HydrophobicContact CG1-CD1 4.06Å; V487-L505 HydrophobicContact CG1-CD2 3.91Å; W488-L505 HydrophobicContact CB-CD1 4.01Å; T491-L505 HydrophobicContact CG2-CD1 4.32Å; F500-L505 HydrophobicContact CD2-CD1 4.46Å; F500-L505 HydrophobicContact CD2-CD2 3.93Å; F500-L505 HydrophobicContact CD2-CG 4.12Å; F500-L505 HydrophobicContact CE2-CD1 4.19Å; F500-L505 HydrophobicContact CE2-CD2 3.74Å; F500-L505 HydrophobicContact CE2-CG 4.17Å; E502-L505 PolarHBondContact O-N 3.41Å; E502-L505 VanDerWaalsContact O-N 3.16Å; L505-I508 PolarHBondContact O-N 2.87Å; L505-L509 WeakPolarHBondContact O-CG 3.43Å; L505-L509 PolarHBondContact O-N 3.07Å; L505-W576 HydrophobicContact CB-CH2 3.79Å; L505-W576 HydrophobicContact CB-CZ2 4.13Å
506	I	98.7	Very high	98.3	Very high	20 Å²	20	18.3 Å²	18.3	10%	0.103	9%	0.09	C	C	.	.	H	α-helix	trans	-64.7	-43.5	174.1	-66.4	174	0	0	0	110.8	E502 Y503 F504 I508 L509 D510 W576 G578 R582	E502-I506 HydrophobicContact CG-CD1 3.86Å; E502-I506 HydrophobicContact CG-CG1 4.31Å; E502-I506 WeakPolarHBondContact O-CG1 3.48Å; E502-I506 PolarHBondContact O-N 2.92Å; Y503-I506 PolarHBondContact O-N 2.93Å; F504-I506 PolarHBondContact O-N 3.16Å; I506-I508 VanDerWaalsContact C-N 3.32Å; I506-I508 PolarHBondContact O-N 2.81Å; I506-L509 CarbonylContact O-C 3.6Å; I506-L509 PolarHBondContact O-N 2.76Å; I506-D510 PolarHBondContact O-N 3.1Å; I506-W576 HydrophobicContact CD1-CZ2 4.39Å; I506-W576 HydrophobicContact CG1-CH2 4.33Å; I506-W576 HydrophobicContact CG1-CZ2 3.66Å; I506-G578 VanDerWaalsContact CD1-O 3.29Å; I506-G578 WeakPolarHBondContact CD1-O 3.35Å; I506-R582 VanDerWaalsContact CG2-NH1 3.29Å
507	T	98.8	Very high	98.5	Very high	5 Å²	5	16.1 Å²	16.1	3%	0.031	8%	0.076	C	C	.	.	H	α-helix	trans	-61.4	-39.4	178.7	-63.8	0	0	0	0	111.7	Y503 F504 L509 D510 H511 Y543 I544 F551	Y503-T507 WeakPolarHBondContact O-CB 3.42Å; Y503-T507 PolarHBondContact O-N 2.81Å; Y503-T507 PolarHBondContact O-OG1 2.78Å; F504-T507 PolarHBondContact O-N 2.94Å; T507-L509 VanDerWaalsContact C-N 3.34Å; T507-L509 PolarHBondContact O-N 3.05Å; T507-D510 PolarHBondContact O-N 2.85Å; T507-H511 WeakPolarHBondContact O-CB 3.38Å; T507-H511 PolarHBondContact O-CD2 2.93Å; T507-H511 VanDerWaalsContact O-CD2 3.28Å; T507-H511 PolarHBondContact O-N 2.84Å; T507-Y543 HydrophobicContact CG2-CE1 4.05Å; T507-I544 HydrophobicContact CG2-CD1 4.36Å; T507-F551 HydrophobicContact CG2-CE1 3.99Å; T507-F551 HydrophobicContact CG2-CZ 4.28Å
508	I	98.9	Very high	98.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59.6	-42.9	171.2	-74.5	171.9	0	0	0	111.5	F445 F480 I484 F504 L505 I506 H511 L512 F520 L540 W541 I544	F445-I508 HydrophobicContact CD1-CD1 4.25Å; F445-I508 HydrophobicContact CE1-CD1 3.92Å; F480-I508 HydrophobicContact CE1-CG2 3.69Å; F480-I508 HydrophobicContact CZ-CG2 4.17Å; I484-I508 HydrophobicContact CD1-CG2 4.09Å; I484-I508 HydrophobicContact CG1-CG2 4.39Å; F504-I508 HydrophobicContact CD1-CD1 3.95Å; F504-I508 HydrophobicContact CD2-CD1 4.47Å; F504-I508 HydrophobicContact CE1-CD1 3.52Å; F504-I508 HydrophobicContact CE2-CD1 4.07Å; F504-I508 HydrophobicContact CG-CD1 4.43Å; F504-I508 HydrophobicContact CZ-CD1 3.59Å; F504-I508 WeakPolarHBondContact O-CG1 3.38Å; F504-I508 PolarHBondContact O-N 2.99Å; L505-I508 PolarHBondContact O-N 2.87Å; I506-I508 VanDerWaalsContact C-N 3.32Å; I506-I508 PolarHBondContact O-N 2.81Å; I508-H511 PolarHBondContact O-N 2.69Å; I508-L512 WeakPolarHBondContact O-CB 3.46Å; I508-L512 PolarHBondContact O-N 2.84Å; I508-F520 HydrophobicContact CG2-CE2 4.21Å; I508-F520 HydrophobicContact CG2-CZ 3.97Å; I508-L540 HydrophobicContact CG1-CD2 4.11Å; I508-W541 HydrophobicContact CD1-CH2 4.17Å; I508-W541 HydrophobicContact CD1-CZ3 3.98Å; I508-W541 HydrophobicContact CG1-CH2 4.3Å; I508-W541 HydrophobicContact CG1-CZ3 3.99Å; I508-I544 HydrophobicContact CG1-CD1 4.36Å
509	L	98.9	Very high	98.6	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-73.9	-33.6	-179.6	-68.2	172.6	0	0	0	113.5	L481 I484 L505 I506 T507 L512 Y513 W576 Y579	L481-L509 HydrophobicContact CB-CD2 4.23Å; L481-L509 HydrophobicContact CD1-CD1 3.55Å; L481-L509 HydrophobicContact CD1-CD2 3.76Å; L481-L509 HydrophobicContact CD1-CG 4.28Å; I484-L509 HydrophobicContact CB-CD1 4.14Å; I484-L509 HydrophobicContact CB-CD2 4.01Å; I484-L509 HydrophobicContact CB-CG 4.2Å; I484-L509 HydrophobicContact CG1-CD2 3.92Å; I484-L509 HydrophobicContact CG1-CG 4.35Å; I484-L509 HydrophobicContact CG2-CD1 3.72Å; I484-L509 HydrophobicContact CG2-CD2 4.3Å; I484-L509 HydrophobicContact CG2-CG 3.93Å; L505-L509 WeakPolarHBondContact O-CG 3.43Å; L505-L509 PolarHBondContact O-N 3.07Å; I506-L509 CarbonylContact O-C 3.6Å; I506-L509 PolarHBondContact O-N 2.76Å; T507-L509 VanDerWaalsContact C-N 3.34Å; T507-L509 PolarHBondContact O-N 3.05Å; L509-L512 HydrophobicContact CD2-CD2 4.21Å; L509-L512 WeakPolarHBondContact O-CB 3.45Å; L509-Y513 WeakPolarHBondContact O-CD2 3.48Å; L509-Y513 WeakPolarHBondContact O-CE2 3.5Å; L509-W576 HydrophobicContact CD1-CH2 3.73Å; L509-W576 HydrophobicContact CD1-CZ3 3.6Å; L509-Y579 HydrophobicContact CB-CD2 4.33Å; L509-Y579 HydrophobicContact CB-CE2 3.64Å; L509-Y579 HydrophobicContact CD1-CD1 4.45Å; L509-Y579 HydrophobicContact CD1-CD2 3.75Å; L509-Y579 HydrophobicContact CD1-CE1 4.38Å; L509-Y579 HydrophobicContact CD1-CE2 3.67Å; L509-Y579 HydrophobicContact CD1-CG 4.15Å; L509-Y579 HydrophobicContact CG-CE2 4.29Å
510	D	98.8	Very high	98.7	Very high	45 Å²	45	13.7 Å²	13.7	24%	0.241	7%	0.065	C	C	.	.	H	α-helix	trans	-66.2	-43.6	171.3	-76.7	-33.4	0	0	0	110.6	I506 T507 Y513 S514 R582	I506-D510 PolarHBondContact O-N 3.1Å; T507-D510 PolarHBondContact O-N 2.85Å; D510-Y513 PolarHBondContact O-N 3.14Å; D510-S514 WeakPolarHBondContact O-CB 3.29Å; D510-S514 PolarHBondContact O-N 3.37Å; D510-R582 VanDerWaalsContact CG-NH1 3.3Å; D510-R582 IonicContact OD1-CZ 3.88Å; D510-R582 VanDerWaalsContact OD1-CZ 3.31Å; D510-R582 IonicContact OD1-NH1 2.76Å; D510-R582 PolarHBondContact OD1-NH1 3.05Å; D510-R582 IonicContact OD1-NH2 3.18Å; D510-R582 PolarHBondContact OD1-NH2 2.76Å; D510-R582 IonicContact OD2-CZ 2.69Å; D510-R582 IonicContact OD2-NH1 2.68Å; D510-R582 PolarHBondContact OD2-NH1 2.81Å; D510-R582 IonicContact OD2-NH2 3.92Å
511	H	98.9	Very high	98.7	Very high	30 Å²	30	13.8 Å²	13.8	14%	0.139	7%	0.065	C	C	.	.	H	α-helix	trans	-77.4	-23.5	-179.8	-72.6	-56.9	0	0	0	115	T507 I508 Y513 S514 F517 L540	T507-H511 WeakPolarHBondContact O-CB 3.38Å; T507-H511 PolarHBondContact O-CD2 2.93Å; T507-H511 VanDerWaalsContact O-CD2 3.28Å; T507-H511 PolarHBondContact O-N 2.84Å; I508-H511 PolarHBondContact O-N 2.69Å; H511-Y513 PolarHBondContact O-N 3.4Å; H511-S514 VanDerWaalsContact CA-OG 3.32Å; H511-S514 WeakPolarHBondContact CA-OG 3.33Å; H511-S514 PolarHBondContact ND1-OG 3.25Å; H511-S514 PolarHBondContact O-N 2.83Å; H511-S514 PolarHBondContact O-OG 3.3Å; H511-S514 VanDerWaalsContact O-OG 3.12Å; H511-F517 HydrophobicContact CB-CD2 4.07Å; H511-F517 HydrophobicContact CB-CE2 4.45Å; H511-F517 AromaticContact CD2-CE2 3.88Å; H511-F517 AromaticContact CE1-CE2 3.69Å; H511-F517 AromaticContact CG-CD2 3.79Å; H511-F517 AromaticContact CG-CE2 3.71Å; H511-F517 AromaticContact ND1-CD2 3.76Å; H511-F517 AromaticContact ND1-CE2 3.59Å; H511-F517 AromaticContact NE2-CE2 3.87Å; H511-L540 HydrophobicContact CB-CD1 3.83Å; H511-L540 HydrophobicContact CB-CD2 4.08Å
512	L	98.9	Very high	98.8	Very high	4 Å²	4	14.2 Å²	14.2	2%	0.021	7%	0.068	C	C	.	.	H	α-helix	trans	-49.8	-41.7	164.6	170.7	70.1	0	0	0	111.4	F460 V464 H466 F480 I508 L509 F520	F460-L512 HydrophobicContact CD1-CD1 3.62Å; F460-L512 HydrophobicContact CE1-CD1 3.85Å; V464-L512 HydrophobicContact CG2-CD1 3.83Å; V464-L512 HydrophobicContact CG2-CD2 4.46Å; V464-L512 HydrophobicContact CG2-CG 4.14Å; H466-L512 PolarHBondContact CE1-O 3.31Å; F480-L512 HydrophobicContact CD1-CD1 4.12Å; F480-L512 HydrophobicContact CD1-CD2 4.21Å; I508-L512 WeakPolarHBondContact O-CB 3.46Å; I508-L512 PolarHBondContact O-N 2.84Å; L509-L512 HydrophobicContact CD2-CD2 4.21Å; L509-L512 WeakPolarHBondContact O-CB 3.45Å; L512-F520 HydrophobicContact CB-CD2 4.31Å; L512-F520 HydrophobicContact CD1-CB 4.16Å; L512-F520 HydrophobicContact CD1-CD1 4.42Å; L512-F520 HydrophobicContact CD1-CG 4.12Å
513	Y	98.9	Very high	98.8	Very high	14 Å²	14	12.6 Å²	12.6	6%	0.055	6%	0.062	C	C	.	.	H	α-helix	trans	-92.1	-34.2	-180	-58.1	-55.1	0	0	0	113.3	G130 V131 K156 V464 L509 D510 H511 C515 Y579	G130-Y513 CarbonylContact C-O 3.55Å; G130-Y513 VanDerWaalsContact C-O 3.29Å; G130-Y513 VanDerWaalsContact CA-O 3.24Å; G130-Y513 WeakPolarHBondContact CA-O 3.48Å; V131-Y513 HydrophobicContact CG1-CD2 4.22Å; V131-Y513 HydrophobicContact CG1-CG 4.19Å; K156-Y513 HydrophobicContact CB-CD1 3.95Å; K156-Y513 HydrophobicContact CB-CD2 4.4Å; K156-Y513 HydrophobicContact CB-CE1 3.95Å; K156-Y513 HydrophobicContact CB-CE2 4.39Å; K156-Y513 HydrophobicContact CB-CG 4.2Å; K156-Y513 HydrophobicContact CD-CD1 3.55Å; K156-Y513 HydrophobicContact CD-CE1 4.02Å; K156-Y513 HydrophobicContact CD-CG 4.22Å; K156-Y513 HydrophobicContact CG-CD1 4.36Å; K156-Y513 HydrophobicContact CG-CE1 4.5Å; V464-Y513 HydrophobicContact CG1-CD1 3.52Å; V464-Y513 HydrophobicContact CG1-CE1 3.84Å; V464-Y513 HydrophobicContact CG2-CE1 4.43Å; L509-Y513 WeakPolarHBondContact O-CD2 3.48Å; L509-Y513 WeakPolarHBondContact O-CE2 3.5Å; D510-Y513 PolarHBondContact O-N 3.14Å; H511-Y513 PolarHBondContact O-N 3.4Å; Y513-C515 PolarHBondContact O-N 3.37Å; Y513-C515 VanDerWaalsContact O-N 3.09Å; Y513-C515 PolarHBondContact O-SG 2.97Å; Y513-C515 VanDerWaalsContact O-SG 3.4Å; Y513-Y579 WeakPolarHBondContact CE2-OH 3.34Å
514	S	98.8	Very high	98.9	Very high	4 Å²	4	9.3 Å²	9.3	3%	0.028	5%	0.049	C	C	.	.	H	α-helix	trans	-54.9	-33.8	-169.3	72.2	0	0	0	0	115.3	S128 D510 H511 L516	S128-S514 WeakPolarHBondContact OG-CA 3.34Å; D510-S514 WeakPolarHBondContact O-CB 3.29Å; D510-S514 PolarHBondContact O-N 3.37Å; H511-S514 VanDerWaalsContact CA-OG 3.32Å; H511-S514 WeakPolarHBondContact CA-OG 3.33Å; H511-S514 PolarHBondContact ND1-OG 3.25Å; H511-S514 PolarHBondContact O-N 2.83Å; H511-S514 PolarHBondContact O-OG 3.3Å; H511-S514 VanDerWaalsContact O-OG 3.12Å; S514-L516 PolarHBondContact O-N 2.78Å; S514-L516 WeakPolarHBondContact OG-CB 3.4Å; S514-L516 PolarHBondContact OG-N 2.74Å; S514-L516 VanDerWaalsContact OG-N 3.07Å
515	C	98.8	Very high	98.9	Very high	7 Å²	7	11.1 Å²	11.1	5%	0.047	6%	0.057	C	C	.	.			trans	53.7	29.1	-166.6	-53.8	0	0	0	0	113.6	L192 A194 Y513 L521	L192-C515 HydrophobicContact CB-CB 4.49Å; L192-C515 HydrophobicContact CD2-CB 4.01Å; A194-C515 WeakPolarHBondContact CB-O 3.18Å; A194-C515 PolarHBondContact N-O 2.75Å; Y513-C515 PolarHBondContact O-N 3.37Å; Y513-C515 VanDerWaalsContact O-N 3.09Å; Y513-C515 PolarHBondContact O-SG 2.97Å; Y513-C515 VanDerWaalsContact O-SG 3.4Å; C515-L521 HydrophobicContact CB-CD2 4.49Å
516	L	98.9	Very high	98.9	Very high	9 Å²	9	12.7 Å²	12.7	5%	0.047	7%	0.065	C	C	.	.	S	Bend	trans	-73.1	-36.9	169.4	-177.5	60.2	0	0	0	111.9	L79 Y110 F193 A194 Y197 S514	L79-L516 HydrophobicContact CD1-CD1 3.89Å; L79-L516 HydrophobicContact CD1-CD2 4.32Å; Y110-L516 HydrophobicContact CD2-CD1 4.46Å; Y110-L516 HydrophobicContact CE2-CB 3.78Å; Y110-L516 HydrophobicContact CE2-CD1 4.08Å; Y110-L516 HydrophobicContact CE2-CG 4.41Å; F193-L516 HydrophobicContact CD1-CD1 3.59Å; F193-L516 HydrophobicContact CE1-CD1 3.48Å; F193-L516 VanDerWaalsContact CE1-CD1 3.48Å; A194-L516 VanDerWaalsContact CA-O 3.31Å; A194-L516 WeakPolarHBondContact CA-O 3.22Å; Y197-L516 HydrophobicContact CD1-CD1 3.63Å; Y197-L516 HydrophobicContact CD1-CG 4.01Å; Y197-L516 WeakPolarHBondContact CD1-O 3.45Å; Y197-L516 HydrophobicContact CD2-CD1 3.7Å; Y197-L516 HydrophobicContact CE1-CD1 3.75Å; Y197-L516 HydrophobicContact CE1-CD2 4.36Å; Y197-L516 HydrophobicContact CE1-CG 3.84Å; Y197-L516 HydrophobicContact CE2-CD1 3.82Å; Y197-L516 HydrophobicContact CG-CD1 3.59Å; Y197-L516 HydrophobicContact CG-CG 4.47Å; S514-L516 PolarHBondContact O-N 2.78Å; S514-L516 WeakPolarHBondContact OG-CB 3.4Å; S514-L516 PolarHBondContact OG-N 2.74Å; S514-L516 VanDerWaalsContact OG-N 3.07Å
517	F	98.9	Very high	98.9	Very high	8 Å²	8	15.3 Å²	15.3	4%	0.035	8%	0.076	C	C	.	.	S	Bend	trans	-112.2	154	-178.2	-58.4	-73.7	0	0	0	111.2	Y197 F201 H511 T519 V538 L540 Y543	Y197-F517 HydrophobicContact CE1-CD1 4.32Å; Y197-F517 AromaticContact CE1-CE1 3.85Å; Y197-F517 HydrophobicContact CE1-CE1 3.85Å; Y197-F517 HydrophobicContact CE1-CZ 4.46Å; F201-F517 HydrophobicContact CE2-CE1 4.41Å; H511-F517 HydrophobicContact CB-CD2 4.07Å; H511-F517 HydrophobicContact CB-CE2 4.45Å; H511-F517 AromaticContact CD2-CE2 3.88Å; H511-F517 AromaticContact CE1-CE2 3.69Å; H511-F517 AromaticContact CG-CD2 3.79Å; H511-F517 AromaticContact CG-CE2 3.71Å; H511-F517 AromaticContact ND1-CD2 3.76Å; H511-F517 AromaticContact ND1-CE2 3.59Å; H511-F517 AromaticContact NE2-CE2 3.87Å; F517-T519 VanDerWaalsContact C-N 3.33Å; F517-V538 CarbonylContact C-O 3.45Å; F517-V538 WeakPolarHBondContact CA-O 3.43Å; F517-V538 WeakPolarHBondContact CB-O 3.29Å; F517-V538 HydrophobicContact CD1-CB 3.9Å; F517-V538 HydrophobicContact CD1-CG1 3.84Å; F517-V538 HydrophobicContact CE1-CB 4.27Å; F517-V538 HydrophobicContact CE1-CG1 3.84Å; F517-L540 HydrophobicContact CB-CB 4.15Å; F517-L540 HydrophobicContact CD2-CB 3.94Å; F517-L540 HydrophobicContact CD2-CD1 3.63Å; F517-L540 HydrophobicContact CD2-CG 4.38Å; F517-L540 HydrophobicContact CE2-CD1 3.52Å; F517-L540 HydrophobicContact CG-CB 4Å; F517-L540 HydrophobicContact CG-CD1 4.47Å; F517-L540 HydrophobicContact CZ-CD1 4.31Å; F517-Y543 HydrophobicContact CE2-CD1 4.44Å; F517-Y543 HydrophobicContact CZ-CD1 4.19Å; F517-Y543 AromaticContact CZ-CG 3.91Å; F517-Y543 HydrophobicContact CZ-CG 3.91Å
518	G	98.9	Very high	98.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	-76.2	-16.6	177	0	0	0	0	0	114.8	F520 L521 L533 T537 V538	G518-F520 PolarHBondContact O-N 3.16Å; G518-L521 WeakPolarHBondContact O-CB 3.48Å; G518-L521 PolarHBondContact O-N 3.43Å; G518-L533 WeakPolarHBondContact O-CD1 3.31Å; G518-T537 WeakPolarHBondContact CA-OG1 3.26Å; G518-V538 PolarHBondContact N-O 3.19Å
519	T	98.9	Very high	98.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-53.4	-171.6	-56.5	0	0	0	0	112.9	L454 F517 L521 S539 L540 W541	L454-T519 HydrophobicContact CD1-CG2 3.71Å; L454-T519 WeakPolarHBondContact CD2-O 3.48Å; F517-T519 VanDerWaalsContact C-N 3.33Å; T519-L521 VanDerWaalsContact C-N 3.35Å; T519-L521 PolarHBondContact O-N 3.43Å; T519-S539 WeakPolarHBondContact OG1-CA 3.29Å; T519-S539 PolarHBondContact OG1-OG 2.66Å; T519-L540 HydrophobicContact CG2-CB 4.49Å; T519-L540 PolarHBondContact OG1-N 2.93Å; T519-W541 HydrophobicContact CG2-CZ2 3.78Å
520	F	98.9	Very high	98.9	Very high	6 Å²	6	25.3 Å²	25.3	3%	0.026	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	17.7	-177.3	-61.1	-60.8	0	0	0	114.5	V449 L454 F460 H466 F480 I508 L512 G518 L540 W541	V449-F520 HydrophobicContact CG1-CE1 3.72Å; V449-F520 HydrophobicContact CG1-CZ 4.15Å; L454-F520 HydrophobicContact CD2-CD1 4.14Å; F460-F520 VanDerWaalsContact CB-O 3.24Å; F460-F520 WeakPolarHBondContact CB-O 3.43Å; F460-F520 HydrophobicContact CD1-CB 4.16Å; F460-F520 AromaticContact CD1-CD1 3.77Å; F460-F520 HydrophobicContact CD1-CD1 3.77Å; F460-F520 HydrophobicContact CD1-CG 4.32Å; F460-F520 AromaticContact CE1-CD1 3.41Å; F460-F520 HydrophobicContact CE1-CD1 3.41Å; F460-F520 VanDerWaalsContact CE1-CD1 3.41Å; F460-F520 AromaticContact CE1-CE1 3.89Å; F460-F520 HydrophobicContact CE1-CE1 3.89Å; F460-F520 HydrophobicContact CE1-CG 4.3Å; F460-F520 HydrophobicContact CE2-CD1 4.27Å; F460-F520 HydrophobicContact CG-CB 4.5Å; F460-F520 HydrophobicContact CG-CD1 4.34Å; F460-F520 AromaticContact CZ-CD1 3.69Å; F460-F520 HydrophobicContact CZ-CD1 3.69Å; F460-F520 AromaticContact CZ-CE1 3.92Å; F460-F520 HydrophobicContact CZ-CE1 3.92Å; H466-F520 PolarHBondContact NE2-O 2.9Å; F480-F520 HydrophobicContact CE1-CD1 4.49Å; F480-F520 AromaticContact CE1-CE1 3.7Å; F480-F520 HydrophobicContact CE1-CE1 3.7Å; F480-F520 AromaticContact CE1-CZ 3.78Å; F480-F520 HydrophobicContact CE1-CZ 3.78Å; F480-F520 AromaticContact CZ-CE1 3.77Å; F480-F520 HydrophobicContact CZ-CE1 3.77Å; F480-F520 AromaticContact CZ-CZ 3.99Å; F480-F520 HydrophobicContact CZ-CZ 3.99Å; I508-F520 HydrophobicContact CG2-CE2 4.21Å; I508-F520 HydrophobicContact CG2-CZ 3.97Å; L512-F520 HydrophobicContact CB-CD2 4.31Å; L512-F520 HydrophobicContact CD1-CB 4.16Å; L512-F520 HydrophobicContact CD1-CD1 4.42Å; L512-F520 HydrophobicContact CD1-CG 4.12Å; G518-F520 PolarHBondContact O-N 3.16Å; F520-L540 HydrophobicContact CE2-CD2 3.73Å; F520-L540 HydrophobicContact CZ-CD2 4.46Å; F520-W541 HydrophobicContact CZ-CH2 4.14Å; F520-W541 HydrophobicContact CZ-CZ2 4.4Å
521	L	98.9	Very high	98.8	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.021	14%	0.14	C	C	.	.			trans	-86	168.5	175.5	-56	-172.2	0	0	0	112.2	L192 A194 F195 H466 C515 G518 T519 R528 L533	L192-L521 HydrophobicContact CD1-CD1 4.1Å; L192-L521 HydrophobicContact CD1-CD2 3.86Å; A194-L521 HydrophobicContact CB-CD1 4.05Å; F195-L521 HydrophobicContact CE2-CD1 4.2Å; H466-L521 VanDerWaalsContact CD2-CD2 3.47Å; H466-L521 WeakPolarHBondContact CD2-CD2 3.26Å; C515-L521 HydrophobicContact CB-CD2 4.49Å; G518-L521 WeakPolarHBondContact O-CB 3.48Å; G518-L521 PolarHBondContact O-N 3.43Å; T519-L521 VanDerWaalsContact C-N 3.35Å; T519-L521 PolarHBondContact O-N 3.43Å; L521-R528 PolarHBondContact O-NE 2.91Å; L521-R528 PolarHBondContact O-NH2 3.48Å; L521-L533 HydrophobicContact CB-CD1 4Å
522	C	98.9	Very high	98.8	Very high	15 Å²	15	28.8 Å²	28.8	10%	0.101	15%	0.15	C	C	.	.	S	Bend	trans	58.6	-170.8	-178.4	-54.3	0	0	0	0	114.2	Q461 Q527 R528	Q461-C522 VanDerWaalsContact CB-O 3.28Å; Q461-C522 WeakPolarHBondContact CB-O 3.23Å; Q461-C522 PolarHBondContact N-O 3.47Å; C522-Q527 HydrophobicContact CB-CB 3.74Å; C522-R528 HydrophobicContact CB-CG 3.8Å
523	N	98.9	Very high	98.8	Very high	22 Å²	22	28.6 Å²	28.6	12%	0.118	15%	0.149	C	C	.	.	S	Bend	trans	-125.3	-8.9	-176.9	-55	-83.3	0	0	0	115.1	G457 R459 L462 Q527	G457-N523 CarbonylContact C-O 3.41Å; G457-N523 WeakPolarHBondContact CA-O 3.46Å; R459-N523 WeakPolarHBondContact CA-OD1 3.29Å; R459-N523 HydrophobicContact CB-CB 4.12Å; R459-N523 WeakPolarHBondContact CB-OD1 3.33Å; R459-N523 HydrophobicContact CG-CB 4.18Å; R459-N523 PolarHBondContact O-OD1 2.81Å; L462-N523 WeakPolarHBondContact CB-OD1 3.32Å; L462-N523 PolarHBondContact N-OD1 2.97Å; N523-Q527 PolarHBondContact ND2-OE1 2.93Å; N523-Q527 VanDerWaalsContact ND2-OE1 3.13Å
524	S	98.9	Very high	98.8	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.014	17%	0.166	C	C	.	.	S	Bend	trans	-155.4	163.8	175.6	69.7	0	0	0	0	111.6	D238 Q526 Q527 R528	D238-S524 PolarHBondContact O-OG 3.37Å; S524-Q526 VanDerWaalsContact C-N 3.31Å; S524-Q526 PolarHBondContact O-N 3.21Å; S524-Q527 PolarHBondContact O-N 2.81Å; S524-Q527 VanDerWaalsContact O-N 3.12Å; S524-Q527 PolarHBondContact OG-N 2.83Å; S524-R528 PolarHBondContact O-N 2.85Å; S524-R528 VanDerWaalsContact O-N 3.15Å
525	E	98.9	Very high	98.8	Very high	38 Å²	38	39 Å²	39	18%	0.178	20%	0.201	C	C	.	.	H	α-helix	trans	-53.7	-47.2	173.9	-166.6	-179.7	-100.3	0	0	111.7	Y234 P241 A242 S455 Q527 R528 G529	Y234-E525 HydrophobicContact CE1-CB 4.13Å; Y234-E525 HydrophobicContact CE1-CG 4.37Å; Y234-E525 WeakPolarHBondContact CE1-OE2 3.41Å; Y234-E525 WeakPolarHBondContact OH-CG 3.47Å; Y234-E525 PolarHBondContact OH-OE2 2.86Å; P241-E525 VanDerWaalsContact CA-OE2 3.25Å; P241-E525 WeakPolarHBondContact CA-OE2 3.31Å; A242-E525 PolarHBondContact N-OE2 3.36Å; S455-E525 WeakPolarHBondContact CB-OE1 3.39Å; E525-Q527 VanDerWaalsContact C-N 3.26Å; E525-Q527 PolarHBondContact O-N 3.45Å; E525-R528 PolarHBondContact O-N 2.81Å; E525-G529 PolarHBondContact O-N 3.08Å
526	Q	98.8	Very high	98.8	Very high	34 Å²	34	44.2 Å²	44.2	16%	0.159	22%	0.22	C	C	.	.	H	α-helix	trans	-53.4	-42.4	176.1	-169	-157.5	80.2	0	0	112.3	Y234 S524 G529 K530	Y234-Q526 HydrophobicContact CD1-CB 3.84Å; Y234-Q526 HydrophobicContact CD1-CG 4.4Å; Y234-Q526 HydrophobicContact CD2-CB 3.87Å; Y234-Q526 HydrophobicContact CD2-CG 3.58Å; Y234-Q526 HydrophobicContact CE1-CB 3.98Å; Y234-Q526 HydrophobicContact CE2-CB 4.02Å; Y234-Q526 HydrophobicContact CE2-CG 3.99Å; Y234-Q526 HydrophobicContact CG-CB 3.77Å; Y234-Q526 HydrophobicContact CG-CG 3.8Å; S524-Q526 VanDerWaalsContact C-N 3.31Å; S524-Q526 PolarHBondContact O-N 3.21Å; Q526-G529 PolarHBondContact O-N 2.86Å; Q526-K530 VanDerWaalsContact CD-NZ 3.33Å; Q526-K530 HydrophobicContact CG-CD 4.27Å; Q526-K530 WeakPolarHBondContact O-CB 3.44Å; Q526-K530 WeakPolarHBondContact O-CG 3.44Å; Q526-K530 PolarHBondContact O-N 2.95Å
527	Q	98.9	Very high	98.8	Very high	74 Å²	74	44.4 Å²	44.4	35%	0.346	22%	0.221	S	C	.	.	H	α-helix	trans	-67.5	-41.8	178.7	-69.1	-179.2	3.7	0	0	111.8	C522 N523 S524 E525 G529 K530 E531	C522-Q527 HydrophobicContact CB-CB 3.74Å; N523-Q527 PolarHBondContact ND2-OE1 2.93Å; N523-Q527 VanDerWaalsContact ND2-OE1 3.13Å; S524-Q527 PolarHBondContact O-N 2.81Å; S524-Q527 VanDerWaalsContact O-N 3.12Å; S524-Q527 PolarHBondContact OG-N 2.83Å; E525-Q527 VanDerWaalsContact C-N 3.26Å; E525-Q527 PolarHBondContact O-N 3.45Å; Q527-G529 VanDerWaalsContact C-N 3.3Å; Q527-G529 PolarHBondContact O-N 2.93Å; Q527-K530 PolarHBondContact O-N 2.83Å; Q527-E531 WeakPolarHBondContact O-CB 3.43Å; Q527-E531 PolarHBondContact O-N 2.89Å
528	R	98.9	Very high	98.8	Very high	16 Å²	16	45.1 Å²	45.1	6%	0.06	23%	0.226	C	C	.	.	H	α-helix	trans	-66	-33.7	176.3	-59.4	-169.4	-163.2	88.3	10.2	112.3	L454 L521 C522 S524 E525 N532 L533	L454-R528 VanDerWaalsContact C-NH1 3.28Å; L454-R528 VanDerWaalsContact CD2-NH2 3.3Å; L454-R528 PolarHBondContact O-NH1 2.75Å; L521-R528 PolarHBondContact O-NE 2.91Å; L521-R528 PolarHBondContact O-NH2 3.48Å; C522-R528 HydrophobicContact CB-CG 3.8Å; S524-R528 PolarHBondContact O-N 2.85Å; S524-R528 VanDerWaalsContact O-N 3.15Å; E525-R528 PolarHBondContact O-N 2.81Å; R528-N532 PolarHBondContact O-N 3.26Å; R528-L533 HydrophobicContact CB-CD1 3.87Å; R528-L533 HydrophobicContact CB-CG 4.17Å; R528-L533 HydrophobicContact CG-CD1 3.64Å; R528-L533 HydrophobicContact CG-CG 4.45Å; R528-L533 PolarHBondContact O-N 2.88Å; R528-L533 VanDerWaalsContact O-N 3.11Å
529	G	98.5	Very high	98.8	Very high	50 Å²	50	45.1 Å²	45.1	52%	0.515	23%	0.226	S	C	.	.	H	α-helix	trans	-65.7	-47.9	171.9	0	0	0	0	0	112.6	E525 Q526 Q527 N532	E525-G529 PolarHBondContact O-N 3.08Å; Q526-G529 PolarHBondContact O-N 2.86Å; Q527-G529 VanDerWaalsContact C-N 3.3Å; Q527-G529 PolarHBondContact O-N 2.93Å; G529-N532 WeakPolarHBondContact O-CA 3.48Å; G529-N532 PolarHBondContact O-N 3.29Å
530	K	98.7	Very high	98.8	Very high	149 Å²	149	45.1 Å²	45.1	65%	0.648	23%	0.226	S	C	*	.	H	α-helix	trans	-60.8	-43.4	175.5	-76.3	171.5	174.2	174.5	0	112.5	Q526 Q527 N532	Q526-K530 VanDerWaalsContact CD-NZ 3.33Å; Q526-K530 HydrophobicContact CG-CD 4.27Å; Q526-K530 WeakPolarHBondContact O-CB 3.44Å; Q526-K530 WeakPolarHBondContact O-CG 3.44Å; Q526-K530 PolarHBondContact O-N 2.95Å; Q527-K530 PolarHBondContact O-N 2.83Å; K530-N532 PolarHBondContact O-N 3.2Å
531	E	98.6	Very high	98.8	Very high	83 Å²	83	44.9 Å²	44.9	39%	0.388	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-7.6	173.6	-72.8	-58	145.6	0	0	113.5	Q527 L533 R536	Q527-E531 WeakPolarHBondContact O-CB 3.43Å; Q527-E531 PolarHBondContact O-N 2.89Å; E531-L533 HydrophobicContact CB-CD2 3.72Å; E531-L533 HydrophobicContact CB-CG 4.11Å; E531-L533 PolarHBondContact O-N 2.92Å; E531-R536 WeakPolarHBondContact O-CD 3.48Å; E531-R536 PolarHBondContact O-NH1 3.26Å; E531-R536 IonicContact OE2-CZ 2.69Å; E531-R536 IonicContact OE2-NH1 2.74Å; E531-R536 PolarHBondContact OE2-NH1 3.33Å; E531-R536 IonicContact OE2-NH2 2.95Å
532	N	98.6	Very high	98.8	Very high	66 Å²	66	44.9 Å²	44.9	35%	0.353	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	41	179.3	-173.5	29	0	0	0	112.6	R528 G529 K530 P534 K535 R536	R528-N532 PolarHBondContact O-N 3.26Å; G529-N532 WeakPolarHBondContact O-CA 3.48Å; G529-N532 PolarHBondContact O-N 3.29Å; K530-N532 PolarHBondContact O-N 3.2Å; N532-P534 VanDerWaalsContact C-CD 3.4Å; N532-P534 VanDerWaalsContact C-N 3.31Å; N532-K535 PolarHBondContact O-N 3.45Å; N532-K535 WeakPolarHBondContact OD1-CD 3.41Å; N532-K535 WeakPolarHBondContact OD1-CG 3.45Å; N532-R536 PolarHBondContact O-N 3.49Å
533	L	98.8	Very high	98.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-52.1	-40.4	-176.9	-59	-172	0	0	0	113.5	F195 W206 G518 L521 R528 E531 K535 R536 T537	F195-L533 HydrophobicContact CE1-CD2 3.71Å; F195-L533 HydrophobicContact CZ-CD2 3.59Å; W206-L533 HydrophobicContact CH2-CB 4.06Å; W206-L533 HydrophobicContact CZ2-CB 4.09Å; G518-L533 WeakPolarHBondContact O-CD1 3.31Å; L521-L533 HydrophobicContact CB-CD1 4Å; R528-L533 HydrophobicContact CB-CD1 3.87Å; R528-L533 HydrophobicContact CB-CG 4.17Å; R528-L533 HydrophobicContact CG-CD1 3.64Å; R528-L533 HydrophobicContact CG-CG 4.45Å; R528-L533 PolarHBondContact O-N 2.88Å; R528-L533 VanDerWaalsContact O-N 3.11Å; E531-L533 HydrophobicContact CB-CD2 3.72Å; E531-L533 HydrophobicContact CB-CG 4.11Å; E531-L533 PolarHBondContact O-N 2.92Å; L533-K535 PolarHBondContact O-N 2.92Å; L533-R536 PolarHBondContact O-N 3.2Å; L533-T537 HydrophobicContact CD2-CG2 4.08Å; L533-T537 PolarHBondContact O-N 3.31Å; L533-T537 PolarHBondContact O-OG1 3.32Å
534	P	98.6	Very high	98.7	Very high	62 Å²	62	45.3 Å²	45.3	40%	0.403	22%	0.224	S	C	.	.	H	α-helix	trans	-59	-15.1	178	-28.7	38.4	0	0	0	116.5	W206 N532	W206-P534 HydrophobicContact CB-CB 3.96Å; W206-P534 HydrophobicContact CD2-CB 4.07Å; W206-P534 HydrophobicContact CD2-CG 4.04Å; W206-P534 HydrophobicContact CE3-CG 4.04Å; W206-P534 HydrophobicContact CG-CB 3.83Å; W206-P534 HydrophobicContact CG-CG 4.29Å; N532-P534 VanDerWaalsContact C-CD 3.4Å; N532-P534 VanDerWaalsContact C-N 3.31Å
535	K	98.4	Very high	98.7	Very high	174 Å²	174	46 Å²	46	76%	0.757	23%	0.227	S	C	*	.	H	α-helix	trans	-114.8	-9.1	176.1	-61.7	-174.7	-179.4	176.5	0	113.8	N532 L533	N532-K535 PolarHBondContact O-N 3.45Å; N532-K535 WeakPolarHBondContact OD1-CD 3.41Å; N532-K535 WeakPolarHBondContact OD1-CG 3.45Å; L533-K535 PolarHBondContact O-N 2.92Å
536	R	98.7	Very high	98.6	Very high	117 Å²	117	46 Å²	46	44%	0.442	23%	0.231	S	C	.	.	H	α-helix	trans	-117.1	-7.7	-173.5	-76.4	178.7	61.4	-147.7	5.3	114.1	F195 E531 N532 L533	F195-R536 HydrophobicContact CD1-CB 4.02Å; F195-R536 HydrophobicContact CE1-CB 4.12Å; E531-R536 WeakPolarHBondContact O-CD 3.48Å; E531-R536 PolarHBondContact O-NH1 3.26Å; E531-R536 IonicContact OE2-CZ 2.69Å; E531-R536 IonicContact OE2-NH1 2.74Å; E531-R536 PolarHBondContact OE2-NH1 3.33Å; E531-R536 IonicContact OE2-NH2 2.95Å; N532-R536 PolarHBondContact O-N 3.49Å; L533-R536 PolarHBondContact O-N 3.2Å
537	T	98.9	Very high	98.4	Very high	13 Å²	13	48 Å²	48	8%	0.08	24%	0.241	C	C	.	.	S	Bend	trans	-148.4	153.8	-176.1	62.6	0	0	0	0	110.3	A194 F195 W206 G518 L533	A194-T537 HydrophobicContact CB-CG2 3.97Å; A194-T537 WeakPolarHBondContact O-CA 3.4Å; A194-T537 WeakPolarHBondContact O-CG2 3.34Å; F195-T537 HydrophobicContact CD1-CG2 3.55Å; F195-T537 HydrophobicContact CE1-CG2 3.57Å; F195-T537 HydrophobicContact CG-CG2 4.1Å; F195-T537 HydrophobicContact CZ-CG2 4.12Å; W206-T537 WeakPolarHBondContact CZ2-OG1 3.48Å; W206-T537 PolarHBondContact NE1-O 3.03Å; G518-T537 WeakPolarHBondContact CA-OG1 3.26Å; L533-T537 HydrophobicContact CD2-CG2 4.08Å; L533-T537 PolarHBondContact O-N 3.31Å; L533-T537 PolarHBondContact O-OG1 3.32Å
538	V	98.9	Very high	98.1	Very high	23 Å²	23	46.2 Å²	46.2	14%	0.139	24%	0.239	C	C	.	.			trans	-80.2	146.4	172	-173.5	0	0	0	0	109.8	Y197 E199 F201 F517 G518	Y197-V538 HydrophobicContact CD1-CB 4.08Å; Y197-V538 HydrophobicContact CD1-CG2 3.81Å; Y197-V538 HydrophobicContact CE1-CB 4.11Å; Y197-V538 HydrophobicContact CE1-CG1 4.45Å; Y197-V538 HydrophobicContact CE1-CG2 4.01Å; E199-V538 WeakPolarHBondContact O-CG2 3.44Å; F201-V538 HydrophobicContact CD2-CG1 3.77Å; F201-V538 HydrophobicContact CE2-CG1 3.94Å; F517-V538 CarbonylContact C-O 3.45Å; F517-V538 WeakPolarHBondContact CA-O 3.43Å; F517-V538 WeakPolarHBondContact CB-O 3.29Å; F517-V538 HydrophobicContact CD1-CB 3.9Å; F517-V538 HydrophobicContact CD1-CG1 3.84Å; F517-V538 HydrophobicContact CE1-CB 4.27Å; F517-V538 HydrophobicContact CE1-CG1 3.84Å; G518-V538 PolarHBondContact N-O 3.19Å
539	S	98.9	Very high	97.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.265	C	S	.	.			trans	-88.1	142.6	170.7	178.5	0	0	0	0	110.6	T519 W541 S542	T519-S539 WeakPolarHBondContact OG1-CA 3.29Å; T519-S539 PolarHBondContact OG1-OG 2.66Å; S539-W541 PolarHBondContact O-N 2.64Å; S539-W541 VanDerWaalsContact OG-CD1 3.31Å; S539-W541 PolarHBondContact OG-N 3.03Å; S539-S542 WeakPolarHBondContact O-CB 3.38Å; S539-S542 PolarHBondContact O-N 2.69Å; S539-S542 PolarHBondContact O-OG 2.97Å
540	L	98.9	Very high	97.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-55.2	-37.9	174.8	174.1	60.4	0	0	0	111.9	I508 H511 F517 T519 F520 S542 Y543 I544	I508-L540 HydrophobicContact CG1-CD2 4.11Å; H511-L540 HydrophobicContact CB-CD1 3.83Å; H511-L540 HydrophobicContact CB-CD2 4.08Å; F517-L540 HydrophobicContact CB-CB 4.15Å; F517-L540 HydrophobicContact CD2-CB 3.94Å; F517-L540 HydrophobicContact CD2-CD1 3.63Å; F517-L540 HydrophobicContact CD2-CG 4.38Å; F517-L540 HydrophobicContact CE2-CD1 3.52Å; F517-L540 HydrophobicContact CG-CB 4Å; F517-L540 HydrophobicContact CG-CD1 4.47Å; F517-L540 HydrophobicContact CZ-CD1 4.31Å; T519-L540 HydrophobicContact CG2-CB 4.49Å; T519-L540 PolarHBondContact OG1-N 2.93Å; F520-L540 HydrophobicContact CE2-CD2 3.73Å; F520-L540 HydrophobicContact CZ-CD2 4.46Å; L540-S542 PolarHBondContact O-N 2.75Å; L540-Y543 HydrophobicContact CD1-CD1 4.24Å; L540-Y543 WeakPolarHBondContact O-CB 3.46Å; L540-Y543 PolarHBondContact O-N 3.08Å; L540-I544 HydrophobicContact CD1-CD1 3.92Å; L540-I544 HydrophobicContact CD1-CG1 4.06Å; L540-I544 HydrophobicContact CD2-CD1 4.17Å; L540-I544 HydrophobicContact CG-CD1 3.77Å; L540-I544 HydrophobicContact CG-CG1 4.25Å; L540-I544 PolarHBondContact O-N 3.17Å
541	W	98.8	Very high	97.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67.2	-19.8	-179.9	-36.1	132.5	0	0	0	112.5	L208 E446 V449 E450 I508 T519 F520 S539 I544 N545	L208-W541 HydrophobicContact CD2-CB 4.24Å; L208-W541 HydrophobicContact CD2-CG 4.06Å; E446-W541 HydrophobicContact CB-CD2 3.88Å; E446-W541 HydrophobicContact CB-CE3 4.06Å; E446-W541 HydrophobicContact CB-CG 4.24Å; E446-W541 HydrophobicContact CB-CZ2 4.43Å; E446-W541 HydrophobicContact CB-CZ3 4.39Å; E446-W541 HydrophobicContact CG-CD2 3.74Å; E446-W541 HydrophobicContact CG-CE3 3.42Å; E446-W541 VanDerWaalsContact CG-CE3 3.42Å; E446-W541 HydrophobicContact CG-CG 4.29Å; E446-W541 HydrophobicContact CG-CH2 4.35Å; E446-W541 HydrophobicContact CG-CZ3 3.76Å; V449-W541 HydrophobicContact CB-CH2 4.39Å; V449-W541 HydrophobicContact CB-CZ2 4.1Å; V449-W541 HydrophobicContact CG1-CH2 4.26Å; V449-W541 HydrophobicContact CG1-CZ2 3.9Å; E450-W541 PolarHBondContact OE1-NE1 2.88Å; I508-W541 HydrophobicContact CD1-CH2 4.17Å; I508-W541 HydrophobicContact CD1-CZ3 3.98Å; I508-W541 HydrophobicContact CG1-CH2 4.3Å; I508-W541 HydrophobicContact CG1-CZ3 3.99Å; T519-W541 HydrophobicContact CG2-CZ2 3.78Å; F520-W541 HydrophobicContact CZ-CH2 4.14Å; F520-W541 HydrophobicContact CZ-CZ2 4.4Å; S539-W541 PolarHBondContact O-N 2.64Å; S539-W541 VanDerWaalsContact OG-CD1 3.31Å; S539-W541 PolarHBondContact OG-N 3.03Å; W541-I544 HydrophobicContact CE3-CD1 4.06Å; W541-I544 HydrophobicContact CZ3-CD1 4.08Å; W541-N545 WeakPolarHBondContact O-CB 3.49Å; W541-N545 PolarHBondContact O-N 3.44Å; W541-N545 VanDerWaalsContact O-N 3.1Å; W541-N545 PolarHBondContact O-ND2 2.97Å
542	S	98.8	Very high	97.4	Very high	5 Å²	5	40.6 Å²	40.6	4%	0.035	20%	0.204	C	C	.	.	H	α-helix	trans	-65	-44	170.6	-54	0	0	0	0	111.3	F201 E203 G205 S539 L540 S546	F201-S542 WeakPolarHBondContact CB-O 3.47Å; E203-S542 WeakPolarHBondContact O-CA 3.4Å; E203-S542 WeakPolarHBondContact O-CB 3.42Å; E203-S542 PolarHBondContact O-OG 3.03Å; G205-S542 PolarHBondContact N-OG 3.35Å; S539-S542 WeakPolarHBondContact O-CB 3.38Å; S539-S542 PolarHBondContact O-N 2.69Å; S539-S542 PolarHBondContact O-OG 2.97Å; L540-S542 PolarHBondContact O-N 2.75Å; S542-S546 VanDerWaalsContact O-CB 3.29Å; S542-S546 WeakPolarHBondContact O-CB 3.47Å; S542-S546 PolarHBondContact O-N 3.21Å; S542-S546 PolarHBondContact O-OG 3Å
543	Y	98.6	Very high	97.3	Very high	46 Å²	46	38 Å²	38	18%	0.18	19%	0.19	C	C	.	.	H	α-helix	trans	-69.8	-51.2	177.3	164.6	-108.2	0	0	0	111	F201 T507 F517 L540 S546 Q547 F551	F201-Y543 AromaticContact CE1-CD2 3.78Å; F201-Y543 HydrophobicContact CE1-CD2 3.78Å; F201-Y543 HydrophobicContact CE1-CG 4.42Å; F201-Y543 AromaticContact CZ-CD2 3.9Å; F201-Y543 HydrophobicContact CZ-CD2 3.9Å; F201-Y543 HydrophobicContact CZ-CG 4.38Å; T507-Y543 HydrophobicContact CG2-CE1 4.05Å; F517-Y543 HydrophobicContact CE2-CD1 4.44Å; F517-Y543 HydrophobicContact CZ-CD1 4.19Å; F517-Y543 AromaticContact CZ-CG 3.91Å; F517-Y543 HydrophobicContact CZ-CG 3.91Å; L540-Y543 HydrophobicContact CD1-CD1 4.24Å; L540-Y543 WeakPolarHBondContact O-CB 3.46Å; L540-Y543 PolarHBondContact O-N 3.08Å; Y543-S546 PolarHBondContact O-N 3.44Å; Y543-Q547 PolarHBondContact O-N 2.9Å; Y543-F551 AromaticContact CE1-CZ 3.97Å; Y543-F551 HydrophobicContact CE1-CZ 3.97Å
544	I	98.4	Very high	97	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.8	-53.3	-176	-69.4	-176.7	0	0	0	112	I442 F504 T507 I508 L540 W541 S546 Q547 A548 F551	I442-I544 HydrophobicContact CG2-CG2 4.37Å; F504-I544 HydrophobicContact CD2-CD1 4.03Å; F504-I544 HydrophobicContact CD2-CG2 3.86Å; F504-I544 HydrophobicContact CE2-CD1 4.06Å; F504-I544 HydrophobicContact CE2-CG2 3.87Å; T507-I544 HydrophobicContact CG2-CD1 4.36Å; I508-I544 HydrophobicContact CG1-CD1 4.36Å; L540-I544 HydrophobicContact CD1-CD1 3.92Å; L540-I544 HydrophobicContact CD1-CG1 4.06Å; L540-I544 HydrophobicContact CD2-CD1 4.17Å; L540-I544 HydrophobicContact CG-CD1 3.77Å; L540-I544 HydrophobicContact CG-CG1 4.25Å; L540-I544 PolarHBondContact O-N 3.17Å; W541-I544 HydrophobicContact CE3-CD1 4.06Å; W541-I544 HydrophobicContact CZ3-CD1 4.08Å; I544-S546 VanDerWaalsContact C-N 3.25Å; I544-S546 PolarHBondContact O-N 3.01Å; I544-Q547 CarbonylContact O-C 3.52Å; I544-Q547 VanDerWaalsContact O-C 3.29Å; I544-Q547 PolarHBondContact O-N 3.49Å; I544-A548 PolarHBondContact O-N 3.2Å; I544-F551 HydrophobicContact CB-CD2 4.22Å; I544-F551 HydrophobicContact CB-CE2 4.17Å; I544-F551 HydrophobicContact CG1-CD2 4.48Å; I544-F551 HydrophobicContact CG1-CE2 4.14Å; I544-F551 HydrophobicContact CG1-CZ 4.23Å; I544-F551 HydrophobicContact CG2-CB 4.42Å; I544-F551 HydrophobicContact CG2-CD2 3.65Å; I544-F551 HydrophobicContact CG2-CE2 4.11Å; I544-F551 HydrophobicContact CG2-CG 3.98Å; I544-F551 WeakPolarHBondContact O-CD2 3.46Å
545	N	98.4	Very high	96.7	Very high	17 Å²	17	40 Å²	40	9%	0.091	20%	0.198	C	C	.	.	H	α-helix	trans	-67.8	-26.3	-177	-70.2	-67.5	0	0	0	112.9	E203 E446 W541 Q547	E203-N545 HydrophobicContact CB-CB 4.5Å; E446-N545 VanDerWaalsContact CD-ND2 3.34Å; E446-N545 PolarHBondContact OE1-ND2 3.25Å; E446-N545 VanDerWaalsContact OE1-ND2 3.12Å; E446-N545 PolarHBondContact OE2-ND2 2.96Å; W541-N545 WeakPolarHBondContact O-CB 3.49Å; W541-N545 PolarHBondContact O-N 3.44Å; W541-N545 VanDerWaalsContact O-N 3.1Å; W541-N545 PolarHBondContact O-ND2 2.97Å; N545-Q547 PolarHBondContact O-N 3.47Å
546	S	97.5	Very high	96.5	Very high	38 Å²	38	34.5 Å²	34.5	27%	0.266	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-8.3	174	-57.8	0	0	0	0	113.7	P202 S542 Y543 I544	P202-S546 WeakPolarHBondContact CD-OG 3.31Å; S542-S546 VanDerWaalsContact O-CB 3.29Å; S542-S546 WeakPolarHBondContact O-CB 3.47Å; S542-S546 PolarHBondContact O-N 3.21Å; S542-S546 PolarHBondContact O-OG 3Å; Y543-S546 PolarHBondContact O-N 3.44Å; I544-S546 VanDerWaalsContact C-N 3.25Å; I544-S546 PolarHBondContact O-N 3.01Å
547	Q	94.6	Very high	95.7	Very high	76 Å²	76	30.6 Å²	30.6	36%	0.355	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.2	36	-179.4	-59.6	-177.1	9.1	0	0	111.2	Y543 I544 N545 E549 D550 F551	Y543-Q547 PolarHBondContact O-N 2.9Å; I544-Q547 CarbonylContact O-C 3.52Å; I544-Q547 VanDerWaalsContact O-C 3.29Å; I544-Q547 PolarHBondContact O-N 3.49Å; N545-Q547 PolarHBondContact O-N 3.47Å; Q547-E549 PolarHBondContact O-N 3.14Å; Q547-D550 PolarHBondContact O-N 3.42Å; Q547-F551 HydrophobicContact CB-CE2 4.11Å; Q547-F551 VanDerWaalsContact O-CD2 3.29Å; Q547-F551 WeakPolarHBondContact O-CD2 3.41Å
548	A	91.2	Very high	94	Very high	36 Å²	36	36 Å²	36	30%	0.298	21%	0.207	S	C	.	.	H	α-helix	trans	-53	-26.7	-170.4	0	0	0	0	0	115	I544 D550 F551 T552	I544-A548 PolarHBondContact O-N 3.2Å; A548-D550 VanDerWaalsContact C-N 3.31Å; A548-D550 PolarHBondContact O-N 2.86Å; A548-F551 CarbonylContact O-C 3.58Å; A548-F551 PolarHBondContact O-N 3.04Å; A548-T552 WeakPolarHBondContact O-CB 3.42Å; A548-T552 PolarHBondContact O-N 3.26Å; A548-T552 PolarHBondContact O-OG1 3.46Å
549	E	92.1	Very high	92.9	Very high	132 Å²	132	38.1 Å²	38.1	62%	0.617	21%	0.213	S	C	*	.	H	α-helix	trans	-58.7	-34.6	176	-61.9	-178.5	-176.5	0	0	114.1	Q547 F551 K598	Q547-E549 PolarHBondContact O-N 3.14Å; E549-F551 PolarHBondContact O-N 3.15Å; E549-K598 HydrophobicContact CB-CG 4.27Å
550	D	94	Very high	91.5	Very high	21 Å²	21	42.8 Å²	42.8	11%	0.112	25%	0.246	C	C	.	.	H	α-helix	trans	-68	-27.2	175.2	-78	-66.3	0	0	0	112.7	N501 Y503 Q547 A548 H594 K598	N501-D550 PolarHBondContact ND2-O 2.88Å; Y503-D550 HydrophobicContact CD1-CB 4.25Å; Y503-D550 HydrophobicContact CE1-CB 4.13Å; Q547-D550 PolarHBondContact O-N 3.42Å; A548-D550 VanDerWaalsContact C-N 3.31Å; A548-D550 PolarHBondContact O-N 2.86Å; D550-H594 IonicContact OD1-CD2 2.71Å; D550-K598 WeakPolarHBondContact OD1-CE 3.48Å; D550-K598 IonicContact OD1-NZ 2.67Å; D550-K598 PolarHBondContact OD1-NZ 3.11Å; D550-K598 WeakPolarHBondContact OD2-CE 3.43Å; D550-K598 IonicContact OD2-NZ 3.47Å; D550-K598 PolarHBondContact OD2-NZ 3.22Å
551	F	96.9	Very high	90.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-103.3	-12.4	-169.2	-57.1	-58.3	0	0	0	112.9	F500 N501 Y503 F504 T507 Y543 I544 Q547 A548 E549	F500-F551 CarbonylContact C-O 3.56Å; F500-F551 VanDerWaalsContact CA-O 3.27Å; F500-F551 WeakPolarHBondContact CA-O 3.29Å; N501-F551 PolarHBondContact N-O 3.07Å; N501-F551 PolarHBondContact ND2-O 3.49Å; N501-F551 PolarHBondContact OD1-O 2.93Å; Y503-F551 AromaticContact CD1-CD1 3.92Å; Y503-F551 HydrophobicContact CD1-CD1 3.92Å; Y503-F551 AromaticContact CD1-CE1 3.65Å; Y503-F551 HydrophobicContact CD1-CE1 3.65Å; Y503-F551 HydrophobicContact CE1-CD1 4.33Å; Y503-F551 AromaticContact CE1-CE1 3.62Å; Y503-F551 HydrophobicContact CE1-CE1 3.62Å; Y503-F551 HydrophobicContact CE1-CZ 4.22Å; F504-F551 HydrophobicContact CB-CB 4.01Å; F504-F551 HydrophobicContact CB-CD1 3.89Å; F504-F551 HydrophobicContact CB-CG 4.34Å; F504-F551 HydrophobicContact CD2-CB 4.12Å; F504-F551 HydrophobicContact CD2-CD1 4.42Å; F504-F551 HydrophobicContact CD2-CG 4.35Å; T507-F551 HydrophobicContact CG2-CE1 3.99Å; T507-F551 HydrophobicContact CG2-CZ 4.28Å; Y543-F551 AromaticContact CE1-CZ 3.97Å; Y543-F551 HydrophobicContact CE1-CZ 3.97Å; I544-F551 HydrophobicContact CB-CD2 4.22Å; I544-F551 HydrophobicContact CB-CE2 4.17Å; I544-F551 HydrophobicContact CG1-CD2 4.48Å; I544-F551 HydrophobicContact CG1-CE2 4.14Å; I544-F551 HydrophobicContact CG1-CZ 4.23Å; I544-F551 HydrophobicContact CG2-CB 4.42Å; I544-F551 HydrophobicContact CG2-CD2 3.65Å; I544-F551 HydrophobicContact CG2-CE2 4.11Å; I544-F551 HydrophobicContact CG2-CG 3.98Å; I544-F551 WeakPolarHBondContact O-CD2 3.46Å; Q547-F551 HydrophobicContact CB-CE2 4.11Å; Q547-F551 VanDerWaalsContact O-CD2 3.29Å; Q547-F551 WeakPolarHBondContact O-CD2 3.41Å; A548-F551 CarbonylContact O-C 3.58Å; A548-F551 PolarHBondContact O-N 3.04Å; E549-F551 PolarHBondContact O-N 3.15Å
552	T	97.1	Very high	89.7	Confident	27 Å²	27	54.3 Å²	54.3	17%	0.166	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-80.9	140.8	-176.9	-59.5	0	0	0	0	111.7	E499 N501 A548 L601	E499-T552 CarbonylContact O-C 3.58Å; E499-T552 WeakPolarHBondContact O-CA 3.46Å; N501-T552 PolarHBondContact ND2-O 3.36Å; A548-T552 WeakPolarHBondContact O-CB 3.42Å; A548-T552 PolarHBondContact O-N 3.26Å; A548-T552 PolarHBondContact O-OG1 3.46Å; T552-L601 HydrophobicContact CG2-CD1 4.04Å; T552-L601 HydrophobicContact CG2-CD2 3.88Å
553	N	95.8	Very high	89.6	Confident	11 Å²	11	55.3 Å²	55.3	6%	0.059	31%	0.308	C	S	.	.			trans	-89.4	114.8	171.6	174.2	12.9	0	0	0	109.5	P495 F498 E499 N501 L555 Y556	P495-N553 PolarHBondContact O-ND2 3.3Å; F498-N553 PolarHBondContact O-ND2 3.32Å; E499-N553 WeakPolarHBondContact O-CB 3.4Å; E499-N553 PolarHBondContact O-N 3.41Å; N501-N553 HydrophobicContact CB-CB 4.36Å; N553-L555 PolarHBondContact O-N 3.1Å; N553-L555 VanDerWaalsContact O-N 3.12Å; N553-L555 WeakPolarHBondContact OD1-CB 3.3Å; N553-L555 PolarHBondContact OD1-N 3.04Å; N553-Y556 WeakPolarHBondContact O-CB 3.2Å; N553-Y556 PolarHBondContact O-N 3.33Å
554	P	94.1	Very high	89.6	Confident	10 Å²	10	53.1 Å²	53.1	7%	0.065	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.7	-179.2	26.1	-34.3	0	0	0	113.3	Y556 Y597 L600 L601 R604	P554-Y556 VanDerWaalsContact C-N 3.35Å; P554-Y597 VanDerWaalsContact CD-CD2 3.49Å; P554-Y597 HydrophobicContact CG-CD1 3.93Å; P554-Y597 HydrophobicContact CG-CD2 4.25Å; P554-Y597 HydrophobicContact CG-CE1 4.45Å; P554-Y597 HydrophobicContact CG-CG 3.81Å; P554-L600 HydrophobicContact CB-CB 3.73Å; P554-L600 HydrophobicContact CG-CB 3.96Å; P554-L600 HydrophobicContact CG-CD1 3.98Å; P554-L601 HydrophobicContact CB-CD2 4.06Å; P554-L601 HydrophobicContact CB-CG 4.11Å; P554-R604 PolarHBondContact O-NH1 3.43Å
555	L	92.2	Very high	89.6	Confident	94 Å²	94	57.4 Å²	57.4	49%	0.492	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-5	179.3	-52.3	-178.3	0	0	0	113.2	T496 N553 G557	T496-L555 WeakPolarHBondContact CA-O 3.32Å; T496-L555 WeakPolarHBondContact CB-O 3.46Å; T496-L555 HydrophobicContact CG2-CB 4.12Å; T496-L555 WeakPolarHBondContact CG2-O 3.44Å; N553-L555 PolarHBondContact O-N 3.1Å; N553-L555 VanDerWaalsContact O-N 3.12Å; N553-L555 WeakPolarHBondContact OD1-CB 3.3Å; N553-L555 PolarHBondContact OD1-N 3.04Å; L555-G557 PolarHBondContact O-N 3.19Å
556	Y	93.6	Very high	89.6	Confident	59 Å²	59	56.9 Å²	56.9	23%	0.231	31%	0.314	C	S	.	.			trans	-64.3	130.7	177.2	-178.3	-118.2	0	0	0	111.6	F498 E499 N553 P554 R604	F498-Y556 WeakPolarHBondContact O-CD2 3.31Å; E499-Y556 VanDerWaalsContact CA-CG 3.45Å; E499-Y556 HydrophobicContact CB-CD1 3.64Å; E499-Y556 HydrophobicContact CB-CD2 4.08Å; E499-Y556 HydrophobicContact CB-CE1 3.69Å; E499-Y556 HydrophobicContact CB-CE2 4.12Å; E499-Y556 HydrophobicContact CB-CG 3.84Å; E499-Y556 HydrophobicContact CG-CD1 3.63Å; E499-Y556 HydrophobicContact CG-CE1 3.84Å; E499-Y556 HydrophobicContact CG-CG 4.21Å; E499-Y556 VanDerWaalsContact N-CD2 3.34Å; N553-Y556 WeakPolarHBondContact O-CB 3.2Å; N553-Y556 PolarHBondContact O-N 3.33Å; P554-Y556 VanDerWaalsContact C-N 3.35Å; Y556-R604 PolarHBondContact O-NH1 3.4Å; Y556-R604 PolarHBondContact O-NH2 2.66Å
557	G	82.5	Confident	89.6	Confident	34 Å²	34	58.1 Å²	58.1	35%	0.351	32%	0.32	S	S	.	.			trans	-174.4	-161.5	-173.9	0	0	0	0	0	112.7	L555 Y559	L555-G557 PolarHBondContact O-N 3.19Å; G557-Y559 VanDerWaalsContact C-N 3.32Å; G557-Y559 PolarHBondContact O-N 2.96Å
558	S	63.7	Low	89.8	Confident	128 Å²	128	55.6 Å²	55.6	90%	0.895	31%	0.312	S	S	*	.			trans	-71	82.7	-175.1	63.4	0	0	0	0	112.5	S560	S558-S560 PolarHBondContact O-N 3.11Å
559	Y	75.7	Confident	90.1	Very high	66 Å²	66	55.4 Å²	55.4	26%	0.259	31%	0.308	S	S	.	.			trans	-73.4	108	167.6	-163.8	-92.7	0	0	0	108.7	F494 T496 A497 G557 N561 L564	F494-Y559 HydrophobicContact CD1-CE2 4.36Å; F494-Y559 AromaticContact CD1-CZ 3.93Å; F494-Y559 VanDerWaalsContact CD1-OH 3.27Å; F494-Y559 WeakPolarHBondContact CD1-OH 3.41Å; F494-Y559 WeakPolarHBondContact CE1-OH 3.37Å; T496-Y559 WeakPolarHBondContact OG1-CD2 3.45Å; A497-Y559 HydrophobicContact CB-CD1 4.28Å; A497-Y559 HydrophobicContact CB-CD2 3.95Å; A497-Y559 HydrophobicContact CB-CE2 4.35Å; A497-Y559 HydrophobicContact CB-CG 3.92Å; G557-Y559 VanDerWaalsContact C-N 3.32Å; G557-Y559 PolarHBondContact O-N 2.96Å; Y559-N561 VanDerWaalsContact C-N 3.26Å; Y559-N561 HydrophobicContact CD1-CB 4.44Å; Y559-N561 WeakPolarHBondContact CD1-O 3.43Å; Y559-N561 HydrophobicContact CE1-CB 3.99Å; Y559-N561 WeakPolarHBondContact CE1-O 3.4Å; Y559-N561 PolarHBondContact O-N 3.33Å; Y559-L564 HydrophobicContact CD1-CD2 3.81Å; Y559-L564 HydrophobicContact CE1-CD2 3.28Å
560	S	68.4	Low	90.4	Very high	98 Å²	98	53 Å²	53	69%	0.685	30%	0.298	S	S	*	.	S	Bend	trans	-64.6	-24.8	-167	59.4	0	0	0	0	114.8	S558	S558-S560 PolarHBondContact O-N 3.11Å
561	N	74.9	Confident	90.5	Very high	99 Å²	99	62.4 Å²	62.4	53%	0.529	33%	0.332	S	S	.	.			trans	-100.9	108.1	-177.2	-63.9	3.9	0	0	0	108.7	Y559 V563	Y559-N561 VanDerWaalsContact C-N 3.26Å; Y559-N561 HydrophobicContact CD1-CB 4.44Å; Y559-N561 WeakPolarHBondContact CD1-O 3.43Å; Y559-N561 HydrophobicContact CE1-CB 3.99Å; Y559-N561 WeakPolarHBondContact CE1-O 3.4Å; Y559-N561 PolarHBondContact O-N 3.33Å; N561-V563 PolarHBondContact O-N 3.02Å; N561-V563 VanDerWaalsContact O-N 3.11Å
562	H	85.6	Confident	90.6	Very high	143 Å²	143	66.8 Å²	66.8	66%	0.662	35%	0.352	S	S	*	.	S	Bend	trans	-64	-19.4	-174.7	-68.8	-66	0	0	0	114.4	R440	R440-H562 PolarHBondContact NH2-O 2.72Å
563	V	96.8	Very high	90.7	Very high	26 Å²	26	66 Å²	66	16%	0.158	35%	0.347	C	S	.	.	S	Bend	trans	-106.8	133.5	176.8	-176.3	0	0	0	0	111.9	E407 M434 L435 N561 Y565	E407-V563 HydrophobicContact CG-CB 4.45Å; E407-V563 HydrophobicContact CG-CG1 4.28Å; E407-V563 HydrophobicContact CG-CG2 3.96Å; M434-V563 CarbonylContact O-C 3.51Å; M434-V563 WeakPolarHBondContact O-CA 3.33Å; L435-V563 HydrophobicContact CD2-CG1 4.37Å; N561-V563 PolarHBondContact O-N 3.02Å; N561-V563 VanDerWaalsContact O-N 3.11Å; V563-Y565 HydrophobicContact CG1-CD2 4.36Å; V563-Y565 HydrophobicContact CG1-CE1 4.27Å; V563-Y565 HydrophobicContact CG1-CE2 3.87Å
564	L	97.7	Very high	90.8	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.362	C	S	.	.			trans	-101.2	127.7	176.5	-56.3	-174.1	0	0	0	111.5	M434 R440 F494 A497 F498 Y559 P566	M434-L564 VanDerWaalsContact CB-O 3.29Å; M434-L564 WeakPolarHBondContact CB-O 3.35Å; M434-L564 WeakPolarHBondContact CG-O 3.41Å; M434-L564 PolarHBondContact O-N 3.25Å; R440-L564 VanDerWaalsContact CD-CD1 3.49Å; F494-L564 HydrophobicContact CB-CD1 4.26Å; F494-L564 HydrophobicContact CB-CD2 4.44Å; F494-L564 HydrophobicContact CD1-CD2 4.09Å; F494-L564 HydrophobicContact CD2-CB 4.16Å; F494-L564 HydrophobicContact CD2-CD1 3.91Å; F494-L564 HydrophobicContact CD2-CD2 4.33Å; F494-L564 HydrophobicContact CD2-CG 4.37Å; F494-L564 HydrophobicContact CE1-CD2 4.43Å; F494-L564 HydrophobicContact CE2-CB 3.97Å; F494-L564 HydrophobicContact CG-CD1 4.14Å; F494-L564 HydrophobicContact CG-CD2 4.03Å; F494-L564 HydrophobicContact CZ-CB 4.33Å; A497-L564 HydrophobicContact CB-CD1 3.9Å; A497-L564 HydrophobicContact CB-CD2 3.95Å; F498-L564 HydrophobicContact CE2-CD1 3.71Å; F498-L564 HydrophobicContact CZ-CD1 3.68Å; Y559-L564 HydrophobicContact CD1-CD2 3.81Å; Y559-L564 HydrophobicContact CE1-CD2 3.28Å; L564-P566 WeakPolarHBondContact O-CD 3.19Å
565	Y	98.2	Very high	91	Very high	90 Å²	90	69.6 Å²	69.6	35%	0.353	36%	0.363	S	S	.	.			trans	-116.6	83.2	173.7	-71.1	-63.7	0	0	0	110.8	L400 D404 E407 S408 V563	L400-Y565 HydrophobicContact CD2-CD1 3.91Å; D404-Y565 HydrophobicContact CB-CE1 4.08Å; E407-Y565 WeakPolarHBondContact CB-OH 3.46Å; E407-Y565 WeakPolarHBondContact CG-OH 3.35Å; S408-Y565 PolarHBondContact OG-OH 3.1Å; V563-Y565 HydrophobicContact CG1-CD2 4.36Å; V563-Y565 HydrophobicContact CG1-CE1 4.27Å; V563-Y565 HydrophobicContact CG1-CE2 3.87Å
566	P	98.1	Very high	91.3	Very high	6 Å²	6	65.1 Å²	65.1	4%	0.039	34%	0.34	C	S	.	.			trans	-60.1	156.6	173.9	23.5	-33.8	0	0	0	112.6	L396 L400 M434 M490 F494 L564 A568	L396-P566 HydrophobicContact CD2-CG 4.49Å; L400-P566 HydrophobicContact CD1-CG 4.36Å; L400-P566 WeakPolarHBondContact CD1-O 3.5Å; L400-P566 HydrophobicContact CD2-CG 3.92Å; L400-P566 WeakPolarHBondContact CD2-O 3.47Å; L400-P566 HydrophobicContact CG-CG 4.22Å; M434-P566 HydrophobicContact CE-CG 3.75Å; M434-P566 HydrophobicContact SD-CG 4.44Å; M490-P566 HydrophobicContact CG-CB 4.17Å; M490-P566 HydrophobicContact CG-CG 3.96Å; M490-P566 HydrophobicContact SD-CG 4.1Å; F494-P566 HydrophobicContact CE2-CB 3.93Å; F494-P566 HydrophobicContact CE2-CG 4.49Å; L564-P566 WeakPolarHBondContact O-CD 3.19Å; P566-A568 PolarHBondContact O-N 3.38Å
567	V	98.6	Very high	91.5	Very high	65 Å²	65	65.4 Å²	65.4	39%	0.394	35%	0.347	S	S	.	.			trans	-93.3	100.9	174.6	-175.1	0	0	0	0	109.5	Q493 S569 H572	Q493-V567 PolarHBondContact NE2-O 3.43Å; V567-S569 VanDerWaalsContact C-N 3.29Å; V567-S569 PolarHBondContact O-N 3.33Å; V567-H572 HydrophobicContact CB-CB 4.02Å; V567-H572 HydrophobicContact CG1-CB 4.11Å
568	A	98.3	Very high	92.1	Very high	23 Å²	23	65 Å²	65	19%	0.19	34%	0.343	C	S	.	.			trans	-76.7	74.6	174.7	0	0	0	0	0	111.7	L396 A397 L400 P566	L396-A568 HydrophobicContact CB-CB 3.98Å; A397-A568 HydrophobicContact CB-CB 3.89Å; L400-A568 HydrophobicContact CD1-CB 3.66Å; P566-A568 PolarHBondContact O-N 3.38Å
569	S	98.2	Very high	93.7	Very high	31 Å²	31	58.9 Å²	58.9	22%	0.217	30%	0.3	C	S	.	.	S	Bend	trans	-139.7	142.7	-178.5	-179.3	0	0	0	0	111	V567 R571 H572 L573	V567-S569 VanDerWaalsContact C-N 3.29Å; V567-S569 PolarHBondContact O-N 3.33Å; S569-R571 PolarHBondContact O-N 2.7Å; S569-H572 PolarHBondContact O-N 2.77Å; S569-L573 WeakPolarHBondContact O-CG 3.31Å; S569-L573 PolarHBondContact O-N 3.09Å; S569-L573 VanDerWaalsContact O-N 3.08Å
570	M	97.3	Very high	94.8	Very high	81 Å²	81	55.8 Å²	55.8	40%	0.399	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-15.2	177.2	-58.9	-59.6	-72.6	0	0	114.3	L389 E390 K393	L389-M570 HydrophobicContact CB-CE 3.73Å; L389-M570 HydrophobicContact CB-SD 4.17Å; E390-M570 HydrophobicContact CB-SD 4.46Å; K393-M570 HydrophobicContact CB-SD 4.43Å; K393-M570 HydrophobicContact CD-CG 3.98Å; K393-M570 HydrophobicContact CD-SD 3.86Å
571	R	97.8	Very high	96.2	Very high	220 Å²	220	51.6 Å²	51.6	83%	0.83	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-9	175.2	-61.7	-176.5	-64.7	-174.9	1.4	114.5	S569	S569-R571 PolarHBondContact O-N 2.7Å
572	H	98.2	Very high	97.1	Very high	92 Å²	92	48.4 Å²	48.4	43%	0.426	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-7.8	-174.7	-62.9	78.2	0	0	0	112.9	Q493 V567 S569	Q493-H572 PolarHBondContact NE2-O 3.48Å; V567-H572 HydrophobicContact CB-CB 4.02Å; V567-H572 HydrophobicContact CG1-CB 4.11Å; S569-H572 PolarHBondContact O-N 2.77Å
573	L	98.6	Very high	97.6	Very high	9 Å²	9	44 Å²	44	5%	0.047	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-99.4	130.6	173.7	-59.9	174.2	0	0	0	108.4	I392 K393 L396 Q489 S569	I392-L573 HydrophobicContact CG2-CD1 4.41Å; K393-L573 HydrophobicContact CB-CD1 3.59Å; K393-L573 HydrophobicContact CG-CD1 4.43Å; L396-L573 HydrophobicContact CD1-CD2 3.58Å; Q489-L573 HydrophobicContact CB-CD2 3.95Å; Q489-L573 HydrophobicContact CG-CD2 3.86Å; S569-L573 WeakPolarHBondContact O-CG 3.31Å; S569-L573 PolarHBondContact O-N 3.09Å; S569-L573 VanDerWaalsContact O-N 3.08Å
574	E	98.6	Very high	97.4	Very high	83 Å²	83	44 Å²	44	39%	0.388	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-102.3	151.7	179.8	-66.9	172.1	-162.2	0	0	109.1	L389 W488 Q489 R492 W576	L389-E574 WeakPolarHBondContact CD2-O 3.5Å; W488-E574 HydrophobicContact CH2-CB 3.7Å; W488-E574 HydrophobicContact CZ3-CB 3.87Å; Q489-E574 PolarHBondContact NE2-O 3.1Å; Q489-E574 PolarHBondContact OE1-O 3.46Å; R492-E574 IonicContact CZ-OE1 3.63Å; R492-E574 IonicContact CZ-OE2 3.2Å; R492-E574 VanDerWaalsContact CZ-OE2 3.28Å; R492-E574 IonicContact NE-OE1 2.77Å; R492-E574 IonicContact NE-OE2 3.88Å; R492-E574 PolarHBondContact NE-OE2 3.31Å; R492-E574 VanDerWaalsContact NH2-CD 3.29Å; R492-E574 IonicContact NH2-OE1 3.78Å; R492-E574 PolarHBondContact NH2-OE1 2.93Å; R492-E574 IonicContact NH2-OE2 3.54Å; R492-E574 PolarHBondContact NH2-OE2 3.45Å; E574-W576 PolarHBondContact O-N 2.87Å
575	L	98.6	Very high	96.9	Very high	15 Å²	15	47.4 Å²	47.4	8%	0.079	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-72.1	130.3	161.6	-179	67.8	0	0	0	108.3	L366 V370 W379 L383 V577 Y580 I581	L366-L575 HydrophobicContact CD1-CD1 3.96Å; L366-L575 HydrophobicContact CD1-CD2 4.22Å; L366-L575 HydrophobicContact CD2-CD1 4.04Å; V370-L575 HydrophobicContact CG1-CD2 4.22Å; W379-L575 HydrophobicContact CH2-CD2 3.39Å; W379-L575 HydrophobicContact CZ2-CD2 3.55Å; L383-L575 HydrophobicContact CD1-CD1 4.31Å; L383-L575 HydrophobicContact CD1-CD2 4.22Å; L383-L575 HydrophobicContact CD2-CB 4.37Å; L575-V577 VanDerWaalsContact C-N 3.29Å; L575-V577 WeakPolarHBondContact O-CG2 3.35Å; L575-V577 PolarHBondContact O-N 3.16Å; L575-Y580 HydrophobicContact CD1-CD2 3.59Å; L575-Y580 HydrophobicContact CD1-CE2 4.05Å; L575-Y580 HydrophobicContact CD1-CG 4.26Å; L575-Y580 HydrophobicContact CG-CD2 4.17Å; L575-I581 HydrophobicContact CD2-CD1 4.06Å
576	W	98.4	Very high	96.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.26	C	S	.	.			trans	-71.6	80	-179.9	-173.3	9.8	0	0	0	112.6	I484 D485 W488 E502 L505 I506 L509 E574 G578 Y579 Y580	I484-W576 HydrophobicContact CG2-CH2 3.77Å; I484-W576 HydrophobicContact CG2-CZ3 3.84Å; D485-W576 HydrophobicContact CB-CE3 4.38Å; W488-W576 HydrophobicContact CB-CD2 4.07Å; W488-W576 HydrophobicContact CB-CE3 4.04Å; W488-W576 HydrophobicContact CB-CH2 4.21Å; W488-W576 HydrophobicContact CB-CZ2 4.21Å; W488-W576 HydrophobicContact CB-CZ3 4.12Å; W488-W576 AromaticContact CD1-CD1 3.82Å; W488-W576 AromaticContact CD1-CD2 3.94Å; W488-W576 AromaticContact CD1-CE2 3.38Å; W488-W576 AromaticContact CD1-CZ2 3.7Å; W488-W576 AromaticContact CD1-NE1 3.34Å; W488-W576 VanDerWaalsContact CD1-NE1 3.34Å; W488-W576 HydrophobicContact CD2-CB 3.94Å; W488-W576 AromaticContact CD2-CD1 3.61Å; W488-W576 AromaticContact CD2-CD2 3.83Å; W488-W576 HydrophobicContact CD2-CD2 3.83Å; W488-W576 AromaticContact CD2-CG 3.54Å; W488-W576 HydrophobicContact CD2-CG 3.54Å; W488-W576 AromaticContact CD2-NE1 3.94Å; W488-W576 AromaticContact CE2-CD1 3.17Å; W488-W576 AromaticContact CE2-CG 3.62Å; W488-W576 AromaticContact CE2-NE1 3.52Å; W488-W576 HydrophobicContact CE3-CB 3.69Å; W488-W576 HydrophobicContact CE3-CD2 4.35Å; W488-W576 AromaticContact CE3-CG 3.85Å; W488-W576 HydrophobicContact CE3-CG 3.85Å; W488-W576 AromaticContact CG-CD2 3.68Å; W488-W576 HydrophobicContact CG-CD2 3.68Å; W488-W576 AromaticContact CG-CE2 3.61Å; W488-W576 HydrophobicContact CG-CE3 4.16Å; W488-W576 AromaticContact CG-CG 3.94Å; W488-W576 HydrophobicContact CG-CG 3.94Å; W488-W576 HydrophobicContact CG-CZ2 4.03Å; W488-W576 AromaticContact CG-NE1 3.83Å; W488-W576 HydrophobicContact CH2-CB 4.01Å; W488-W576 HydrophobicContact CH2-CG 4.3Å; W488-W576 HydrophobicContact CZ2-CB 4.2Å; W488-W576 AromaticContact CZ2-CD1 3.47Å; W488-W576 VanDerWaalsContact CZ2-CD1 3.47Å; W488-W576 AromaticContact CZ2-CG 3.99Å; W488-W576 HydrophobicContact CZ2-CG 3.99Å; W488-W576 HydrophobicContact CZ3-CB 3.74Å; W488-W576 HydrophobicContact CZ3-CG 4.22Å; W488-W576 AromaticContact NE1-CD1 3.3Å; W488-W576 VanDerWaalsContact NE1-CD1 3.3Å; W488-W576 AromaticContact NE1-CE2 3.67Å; W488-W576 AromaticContact NE1-CG 3.98Å; W488-W576 AromaticContact NE1-NE1 3.09Å; E502-W576 HydrophobicContact CG-CZ2 4.14Å; E502-W576 PolarHBondContact OE1-NE1 2.69Å; L505-W576 HydrophobicContact CB-CH2 3.79Å; L505-W576 HydrophobicContact CB-CZ2 4.13Å; I506-W576 HydrophobicContact CD1-CZ2 4.39Å; I506-W576 HydrophobicContact CG1-CH2 4.33Å; I506-W576 HydrophobicContact CG1-CZ2 3.66Å; L509-W576 HydrophobicContact CD1-CH2 3.73Å; L509-W576 HydrophobicContact CD1-CZ3 3.6Å; E574-W576 PolarHBondContact O-N 2.87Å; W576-G578 PolarHBondContact O-N 3.36Å; W576-Y579 VanDerWaalsContact CD2-CB 3.49Å; W576-Y579 HydrophobicContact CD2-CG 4.49Å; W576-Y579 HydrophobicContact CE3-CG 4.35Å; W576-Y579 HydrophobicContact CZ3-CG 4.46Å; W576-Y579 PolarHBondContact O-N 2.6Å; W576-Y580 HydrophobicContact CB-CD2 3.8Å; W576-Y580 HydrophobicContact CB-CE2 3.73Å; W576-Y580 VanDerWaalsContact O-CD2 3.26Å; W576-Y580 WeakPolarHBondContact O-CD2 3.35Å; W576-Y580 PolarHBondContact O-N 3.4Å
577	V	97.1	Very high	95.3	Very high	64 Å²	64	57 Å²	57	39%	0.388	28%	0.276	S	S	.	.	H	α-helix	trans	-52.9	-43.1	179.4	-178.4	0	0	0	0	111.4	L575 Y579 I581 R582 M587	L575-V577 VanDerWaalsContact C-N 3.29Å; L575-V577 WeakPolarHBondContact O-CG2 3.35Å; L575-V577 PolarHBondContact O-N 3.16Å; V577-Y579 PolarHBondContact O-N 2.91Å; V577-Y579 VanDerWaalsContact O-N 3.1Å; V577-I581 HydrophobicContact CB-CD1 4.43Å; V577-I581 HydrophobicContact CG1-CB 4.18Å; V577-I581 HydrophobicContact CG1-CD1 4.19Å; V577-I581 HydrophobicContact CG1-CG1 4.43Å; V577-I581 HydrophobicContact CG2-CD1 4.17Å; V577-I581 PolarHBondContact O-N 3.23Å; V577-R582 PolarHBondContact O-N 3.29Å; V577-M587 HydrophobicContact CG1-CE 4.27Å
578	G	96	Very high	94.2	Very high	26 Å²	26	59.2 Å²	59.2	27%	0.268	28%	0.281	S	S	.	.	H	α-helix	trans	-58.8	-18.1	178.9	0	0	0	0	0	115.2	I506 W576 R582	I506-G578 VanDerWaalsContact CD1-O 3.29Å; I506-G578 WeakPolarHBondContact CD1-O 3.35Å; W576-G578 PolarHBondContact O-N 3.36Å; G578-R582 WeakPolarHBondContact O-CB 2.77Å
579	Y	97.8	Very high	92.8	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-111.4	-53.7	172	-178	-99.7	0	0	0	113.1	I158 L481 L509 Y513 W576 V577 I581 R582	I158-Y579 HydrophobicContact CG1-CE1 4.13Å; L481-Y579 HydrophobicContact CD1-CD1 3.97Å; L481-Y579 HydrophobicContact CD1-CE1 3.45Å; L481-Y579 VanDerWaalsContact CD1-CE1 3.45Å; L481-Y579 HydrophobicContact CD2-CE1 4.03Å; L481-Y579 HydrophobicContact CG-CE1 4.41Å; L509-Y579 HydrophobicContact CB-CD2 4.33Å; L509-Y579 HydrophobicContact CB-CE2 3.64Å; L509-Y579 HydrophobicContact CD1-CD1 4.45Å; L509-Y579 HydrophobicContact CD1-CD2 3.75Å; L509-Y579 HydrophobicContact CD1-CE1 4.38Å; L509-Y579 HydrophobicContact CD1-CE2 3.67Å; L509-Y579 HydrophobicContact CD1-CG 4.15Å; L509-Y579 HydrophobicContact CG-CE2 4.29Å; Y513-Y579 WeakPolarHBondContact CE2-OH 3.34Å; W576-Y579 VanDerWaalsContact CD2-CB 3.49Å; W576-Y579 HydrophobicContact CD2-CG 4.49Å; W576-Y579 HydrophobicContact CE3-CG 4.35Å; W576-Y579 HydrophobicContact CZ3-CG 4.46Å; W576-Y579 PolarHBondContact O-N 2.6Å; V577-Y579 PolarHBondContact O-N 2.91Å; V577-Y579 VanDerWaalsContact O-N 3.1Å; Y579-I581 PolarHBondContact O-N 3.08Å; Y579-R582 WeakPolarHBondContact O-CG 3.49Å
580	Y	98.5	Very high	91.4	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-74	-23.9	-171.1	-62.4	-68.5	0	0	0	114.4	I158 L363 L366 W388 L481 D485 L575 W576	I158-Y580 HydrophobicContact CD1-CD1 4.17Å; I158-Y580 HydrophobicContact CG1-CD1 3.99Å; I158-Y580 WeakPolarHBondContact CG2-O 3.43Å; L363-Y580 HydrophobicContact CD1-CE1 4.03Å; L366-Y580 HydrophobicContact CD2-CD1 3.74Å; L366-Y580 HydrophobicContact CD2-CD2 4.39Å; L366-Y580 HydrophobicContact CD2-CE1 3.89Å; L366-Y580 HydrophobicContact CD2-CE2 4.49Å; L366-Y580 HydrophobicContact CD2-CG 4.05Å; W388-Y580 AromaticContact CE2-CZ 3.94Å; W388-Y580 HydrophobicContact CZ2-CE1 4.39Å; W388-Y580 AromaticContact CZ2-CZ 3.99Å; W388-Y580 WeakPolarHBondContact CZ2-OH 3.34Å; W388-Y580 AromaticContact NE1-CE2 3.9Å; W388-Y580 AromaticContact NE1-CZ 3.63Å; W388-Y580 PolarHBondContact NE1-OH 2.92Å; L481-Y580 HydrophobicContact CD2-CE1 4.28Å; D485-Y580 VanDerWaalsContact OD2-CE2 3.23Å; D485-Y580 WeakPolarHBondContact OD2-CE2 3.37Å; D485-Y580 PolarHBondContact OD2-OH 2.84Å; L575-Y580 HydrophobicContact CD1-CD2 3.59Å; L575-Y580 HydrophobicContact CD1-CE2 4.05Å; L575-Y580 HydrophobicContact CD1-CG 4.26Å; L575-Y580 HydrophobicContact CG-CD2 4.17Å; W576-Y580 HydrophobicContact CB-CD2 3.8Å; W576-Y580 HydrophobicContact CB-CE2 3.73Å; W576-Y580 VanDerWaalsContact O-CD2 3.26Å; W576-Y580 WeakPolarHBondContact O-CD2 3.35Å; W576-Y580 PolarHBondContact O-N 3.4Å
581	I	96.9	Very high	90.3	Very high	11 Å²	11	73.3 Å²	73.3	6%	0.056	35%	0.345	C	S	.	.	S	Bend	trans	-124.5	10.9	-172.5	-32.6	176.2	0	0	0	111.6	V370 I374 W379 L575 V577 Y579 W583 N584 M587	V370-I581 HydrophobicContact CB-CG1 4.22Å; V370-I581 HydrophobicContact CG1-CD1 4.47Å; V370-I581 HydrophobicContact CG1-CG1 4.34Å; I374-I581 HydrophobicContact CD1-CD1 3.96Å; I374-I581 HydrophobicContact CD1-CG2 3.88Å; W379-I581 HydrophobicContact CH2-CD1 4.36Å; L575-I581 HydrophobicContact CD2-CD1 4.06Å; V577-I581 HydrophobicContact CB-CD1 4.43Å; V577-I581 HydrophobicContact CG1-CB 4.18Å; V577-I581 HydrophobicContact CG1-CD1 4.19Å; V577-I581 HydrophobicContact CG1-CG1 4.43Å; V577-I581 HydrophobicContact CG2-CD1 4.17Å; V577-I581 PolarHBondContact O-N 3.23Å; Y579-I581 PolarHBondContact O-N 3.08Å; I581-W583 PolarHBondContact O-N 2.91Å; I581-N584 PolarHBondContact O-N 2.98Å; I581-M587 HydrophobicContact CB-CE 4.37Å; I581-M587 HydrophobicContact CD1-CE 4.19Å; I581-M587 HydrophobicContact CG2-CE 3.78Å; I581-M587 HydrophobicContact CG2-SD 3.61Å
582	R	95.1	Very high	89.6	Confident	32 Å²	32	65.9 Å²	65.9	12%	0.121	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	7.3	-174.8	74.1	-178	167.3	146.1	2.1	116.4	I506 D510 V577 G578 Y579 K588	I506-R582 VanDerWaalsContact CG2-NH1 3.29Å; D510-R582 VanDerWaalsContact CG-NH1 3.3Å; D510-R582 IonicContact OD1-CZ 3.88Å; D510-R582 VanDerWaalsContact OD1-CZ 3.31Å; D510-R582 IonicContact OD1-NH1 2.76Å; D510-R582 PolarHBondContact OD1-NH1 3.05Å; D510-R582 IonicContact OD1-NH2 3.18Å; D510-R582 PolarHBondContact OD1-NH2 2.76Å; D510-R582 IonicContact OD2-CZ 2.69Å; D510-R582 IonicContact OD2-NH1 2.68Å; D510-R582 PolarHBondContact OD2-NH1 2.81Å; D510-R582 IonicContact OD2-NH2 3.92Å; V577-R582 PolarHBondContact O-N 3.29Å; G578-R582 WeakPolarHBondContact O-CB 2.77Å; Y579-R582 WeakPolarHBondContact O-CG 3.49Å; R582-K588 WeakPolarHBondContact O-CE 3.47Å; R582-K588 PolarHBondContact O-NZ 3.1Å
583	W	94.6	Very high	88.9	Confident	49 Å²	49	65 Å²	65	19%	0.186	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-23.1	-178.8	-56.6	121.7	0	0	0	113.7	F97 D157 R159 Y371 I581 P585	F97-W583 HydrophobicContact CE2-CB 4.2Å; F97-W583 VanDerWaalsContact CE2-O 3.27Å; F97-W583 WeakPolarHBondContact CE2-O 3.37Å; F97-W583 HydrophobicContact CZ-CB 4.37Å; D157-W583 HydrophobicContact CB-CZ2 4.14Å; D157-W583 PolarHBondContact O-NE1 3.36Å; D157-W583 WeakPolarHBondContact OD2-CZ2 3.35Å; R159-W583 HydrophobicContact CB-CG 4.2Å; R159-W583 VanDerWaalsContact CD-CE2 3.49Å; R159-W583 HydrophobicContact CG-CD2 4.38Å; R159-W583 HydrophobicContact CG-CG 4.4Å; R159-W583 HydrophobicContact CG-CZ2 4.4Å; Y371-W583 HydrophobicContact CD2-CB 4.36Å; Y371-W583 HydrophobicContact CE2-CB 3.91Å; Y371-W583 HydrophobicContact CE2-CG 4.36Å; I581-W583 PolarHBondContact O-N 2.91Å; W583-P585 VanDerWaalsContact O-CD 3.28Å; W583-P585 WeakPolarHBondContact O-CD 3.05Å
584	N	92.6	Very high	88.2	Confident	28 Å²	28	66.2 Å²	66.2	15%	0.15	33%	0.329	C	S	.	.			trans	-74.7	115.6	176.1	-175.9	-10.5	0	0	0	109.8	F97 I581 R586 M587	F97-N584 HydrophobicContact CD1-CB 3.92Å; F97-N584 HydrophobicContact CE1-CB 3.5Å; F97-N584 HydrophobicContact CZ-CB 3.93Å; I581-N584 PolarHBondContact O-N 2.98Å; N584-R586 PolarHBondContact O-N 3.26Å; N584-R586 VanDerWaalsContact O-N 3.12Å; N584-R586 WeakPolarHBondContact OD1-CB 3.33Å; N584-R586 PolarHBondContact OD1-N 2.84Å; N584-M587 HydrophobicContact CB-CB 4.22Å; N584-M587 HydrophobicContact CB-CG 4.08Å; N584-M587 HydrophobicContact CB-SD 4.08Å; N584-M587 PolarHBondContact ND2-SD 2.91Å; N584-M587 PolarHBondContact O-N 2.83Å
585	P	87.4	Confident	87.6	Confident	71 Å²	71	65.7 Å²	65.7	46%	0.461	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-60.4	-24.9	-179.1	-23.1	34.9	0	0	0	113.6	F97 W583 M587	F97-P585 HydrophobicContact CB-CG 4.33Å; W583-P585 VanDerWaalsContact O-CD 3.28Å; W583-P585 WeakPolarHBondContact O-CD 3.05Å; P585-M587 VanDerWaalsContact C-N 3.32Å
586	R	83.7	Confident	87	Confident	219 Å²	219	72.8 Å²	72.8	83%	0.826	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-77.5	-16.1	178.9	-59.1	-178.3	-179.1	178.1	0.8	113.8	N584	N584-R586 PolarHBondContact O-N 3.26Å; N584-R586 VanDerWaalsContact O-N 3.12Å; N584-R586 WeakPolarHBondContact OD1-CB 3.33Å; N584-R586 PolarHBondContact OD1-N 2.84Å
587	M	80	Confident	86.7	Confident	77 Å²	77	75.7 Å²	75.7	38%	0.379	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-104.4	3.5	-179.8	-60	179.6	71.8	0	0	112.2	I374 V577 I581 N584 P585	I374-M587 HydrophobicContact CD1-CE 4.12Å; I374-M587 HydrophobicContact CD1-SD 4.26Å; V577-M587 HydrophobicContact CG1-CE 4.27Å; I581-M587 HydrophobicContact CB-CE 4.37Å; I581-M587 HydrophobicContact CD1-CE 4.19Å; I581-M587 HydrophobicContact CG2-CE 3.78Å; I581-M587 HydrophobicContact CG2-SD 3.61Å; N584-M587 HydrophobicContact CB-CB 4.22Å; N584-M587 HydrophobicContact CB-CG 4.08Å; N584-M587 HydrophobicContact CB-SD 4.08Å; N584-M587 PolarHBondContact ND2-SD 2.91Å; N584-M587 PolarHBondContact O-N 2.83Å; P585-M587 VanDerWaalsContact C-N 3.32Å
588	K	74.1	Confident	86.3	Confident	112 Å²	112	75.7 Å²	75.7	49%	0.487	36%	0.361	S	S	.	.	S	Bend	trans	-86.9	143.2	171.1	-68.7	-172.2	175.7	-171.3	0	110.4	R582	R582-K588 WeakPolarHBondContact O-CE 3.47Å; R582-K588 PolarHBondContact O-NZ 3.1Å
589	P	69.1	Low	86	Confident	81 Å²	81	80.6 Å²	80.6	53%	0.526	38%	0.376	S	S	.	.			trans	-52.2	145.8	156.4	-23.8	35.2	0	0	0	110.6	E591 I593	P589-E591 WeakPolarHBondContact CB-O 3.35Å; P589-E591 PolarHBondContact O-N 3.4Å; P589-I593 HydrophobicContact CG-CD1 4.05Å; P589-I593 HydrophobicContact CG-CG1 4.12Å
590	Q	69.4	Low	85.7	Confident	207 Å²	207	84.2 Å²	84.2	97%	0.967	40%	0.395	S	S	*	.	S	Bend	trans	-61	-31.7	178	-71.3	-178.2	-21.8	0	0	112.2
591	E	74.8	Confident	85.4	Confident	143 Å²	143	86 Å²	86	67%	0.668	41%	0.405	S	S	*	.	S	Bend	trans	-123.7	142.6	175.8	-65.6	-179.7	159.6	0	0	110.8	P589 I593	P589-E591 WeakPolarHBondContact CB-O 3.35Å; P589-E591 PolarHBondContact O-N 3.4Å; E591-I593 PolarHBondContact O-N 3.33Å
592	P	81.4	Confident	85.1	Confident	65 Å²	65	88.6 Å²	88.6	42%	0.422	43%	0.428	S	S	.	.			trans	-60.6	128	176.4	-22	32.9	0	0	0	112.6	H594 N595	P592-H594 VanDerWaalsContact CB-CE1 3.45Å; P592-H594 WeakPolarHBondContact CB-CE1 3.42Å; P592-H594 PolarHBondContact O-N 2.95Å; P592-H594 VanDerWaalsContact O-N 3.16Å; P592-N595 WeakPolarHBondContact O-CB 3.13Å; P592-N595 PolarHBondContact O-N 2.79Å
593	I	83.7	Confident	84.9	Confident	73 Å²	73	91.7 Å²	91.7	37%	0.374	44%	0.442	S	S	.	.	H	α-helix	trans	-58.5	-33.9	-174.8	-63.4	174	0	0	0	112.4	P589 E591 N595 R596 Y597	P589-I593 HydrophobicContact CG-CD1 4.05Å; P589-I593 HydrophobicContact CG-CG1 4.12Å; E591-I593 PolarHBondContact O-N 3.33Å; I593-N595 VanDerWaalsContact C-N 3.31Å; I593-N595 PolarHBondContact O-N 2.92Å; I593-R596 PolarHBondContact O-N 3.02Å; I593-Y597 HydrophobicContact CG2-CD1 3.98Å; I593-Y597 HydrophobicContact CG2-CE1 3.49Å; I593-Y597 VanDerWaalsContact CG2-CE1 3.49Å; I593-Y597 HydrophobicContact CG2-CE2 4.21Å; I593-Y597 WeakPolarHBondContact O-CD1 3.41Å; I593-Y597 PolarHBondContact O-N 2.84Å
594	H	84.4	Confident	84.7	Confident	34 Å²	34	95.2 Å²	95.2	16%	0.157	46%	0.456	C	S	.	.	H	α-helix	trans	-65.5	-29.9	178.5	56.7	-101.7	0	0	0	113.3	Y503 D550 P592 Y597 K598	Y503-H594 HydrophobicContact CD1-CB 4.14Å; Y503-H594 AromaticContact CD1-CG 3.89Å; Y503-H594 AromaticContact CD1-ND1 3.79Å; Y503-H594 AromaticContact CD2-CE1 3.7Å; Y503-H594 AromaticContact CD2-ND1 3.4Å; Y503-H594 WeakPolarHBondContact CD2-ND1 3.47Å; Y503-H594 AromaticContact CE2-CE1 3.63Å; Y503-H594 AromaticContact CE2-ND1 3.83Å; Y503-H594 HydrophobicContact CG-CB 4.14Å; Y503-H594 AromaticContact CG-CG 3.88Å; Y503-H594 AromaticContact CG-ND1 3.39Å; Y503-H594 AromaticContact CZ-CE1 3.89Å; D550-H594 IonicContact OD1-CD2 2.71Å; P592-H594 VanDerWaalsContact CB-CE1 3.45Å; P592-H594 WeakPolarHBondContact CB-CE1 3.42Å; P592-H594 PolarHBondContact O-N 2.95Å; P592-H594 VanDerWaalsContact O-N 3.16Å; H594-Y597 WeakPolarHBondContact O-CB 3.46Å; H594-Y597 PolarHBondContact O-N 3.41Å; H594-Y597 VanDerWaalsContact O-N 3.11Å; H594-K598 PolarHBondContact O-N 3.07Å
595	N	85.9	Confident	84.5	Confident	72 Å²	72	96.8 Å²	96.8	39%	0.385	47%	0.472	S	S	.	.	H	α-helix	trans	-63.9	-45.6	174.3	-69.5	-12	0	0	0	110.5	P592 I593 Y597 K598 E599	P592-N595 WeakPolarHBondContact O-CB 3.13Å; P592-N595 PolarHBondContact O-N 2.79Å; I593-N595 VanDerWaalsContact C-N 3.31Å; I593-N595 PolarHBondContact O-N 2.92Å; N595-Y597 PolarHBondContact O-N 3.38Å; N595-K598 WeakPolarHBondContact O-CB 3.42Å; N595-K598 PolarHBondContact O-N 2.8Å; N595-E599 PolarHBondContact O-N 3.5Å; N595-E599 VanDerWaalsContact O-N 3.14Å
596	R	87.3	Confident	84.8	Confident	164 Å²	164	98.4 Å²	98.4	62%	0.619	47%	0.474	S	S	*	.	H	α-helix	trans	-63.1	-30.5	173	-172.5	176.7	176.7	-171.7	-0	112.2	I593 E599 L600	I593-R596 PolarHBondContact O-N 3.02Å; R596-E599 PolarHBondContact O-N 3.07Å; R596-L600 VanDerWaalsContact O-CG 3.29Å; R596-L600 WeakPolarHBondContact O-CG 3.28Å; R596-L600 PolarHBondContact O-N 3.19Å
597	Y	90.9	Very high	85.2	Confident	62 Å²	62	92.3 Å²	92.3	24%	0.243	46%	0.457	C	S	.	.	H	α-helix	trans	-69.1	-39.4	174.9	-75.2	9.6	0	0	0	112	N501 P554 I593 H594 N595 E599 L600 L601	N501-Y597 HydrophobicContact CB-CD2 3.84Å; N501-Y597 HydrophobicContact CB-CE2 3.8Å; P554-Y597 VanDerWaalsContact CD-CD2 3.49Å; P554-Y597 HydrophobicContact CG-CD1 3.93Å; P554-Y597 HydrophobicContact CG-CD2 4.25Å; P554-Y597 HydrophobicContact CG-CE1 4.45Å; P554-Y597 HydrophobicContact CG-CG 3.81Å; I593-Y597 HydrophobicContact CG2-CD1 3.98Å; I593-Y597 HydrophobicContact CG2-CE1 3.49Å; I593-Y597 VanDerWaalsContact CG2-CE1 3.49Å; I593-Y597 HydrophobicContact CG2-CE2 4.21Å; I593-Y597 WeakPolarHBondContact O-CD1 3.41Å; I593-Y597 PolarHBondContact O-N 2.84Å; H594-Y597 WeakPolarHBondContact O-CB 3.46Å; H594-Y597 PolarHBondContact O-N 3.41Å; H594-Y597 VanDerWaalsContact O-N 3.11Å; N595-Y597 PolarHBondContact O-N 3.38Å; Y597-E599 PolarHBondContact O-N 3.16Å; Y597-L600 HydrophobicContact CD1-CD1 4.3Å; Y597-L600 PolarHBondContact O-N 2.91Å; Y597-L601 WeakPolarHBondContact O-CG 3.49Å; Y597-L601 PolarHBondContact O-N 3.46Å
598	K	88.1	Confident	85.8	Confident	64 Å²	64	93.3 Å²	93.3	28%	0.278	46%	0.461	S	S	.	.	H	α-helix	trans	-58.1	-45.3	170.2	-77.3	178	154.3	167.8	0	112.5	E549 D550 H594 N595 L600 L601 A602	E549-K598 HydrophobicContact CB-CG 4.27Å; D550-K598 WeakPolarHBondContact OD1-CE 3.48Å; D550-K598 IonicContact OD1-NZ 2.67Å; D550-K598 PolarHBondContact OD1-NZ 3.11Å; D550-K598 WeakPolarHBondContact OD2-CE 3.43Å; D550-K598 IonicContact OD2-NZ 3.47Å; D550-K598 PolarHBondContact OD2-NZ 3.22Å; H594-K598 PolarHBondContact O-N 3.07Å; N595-K598 WeakPolarHBondContact O-CB 3.42Å; N595-K598 PolarHBondContact O-N 2.8Å; K598-L600 VanDerWaalsContact C-N 3.32Å; K598-L600 PolarHBondContact O-N 2.88Å; K598-L601 PolarHBondContact O-N 2.84Å; K598-A602 PolarHBondContact O-N 2.99Å
599	E	90.5	Very high	86.7	Confident	128 Å²	128	94 Å²	94	60%	0.598	46%	0.464	S	S	*	.	H	α-helix	trans	-59.8	-42.3	175.1	-66.4	175.2	173.6	0	0	112.2	N595 R596 Y597 A602 K603	N595-E599 PolarHBondContact O-N 3.5Å; N595-E599 VanDerWaalsContact O-N 3.14Å; R596-E599 PolarHBondContact O-N 3.07Å; Y597-E599 PolarHBondContact O-N 3.16Å; E599-A602 PolarHBondContact O-N 3.49Å; E599-K603 WeakPolarHBondContact O-CB 3.43Å; E599-K603 PolarHBondContact O-N 3.39Å
600	L	91.4	Very high	87.9	Confident	76 Å²	76	95.9 Å²	95.9	40%	0.398	46%	0.464	S	S	.	.	H	α-helix	trans	-66.1	-36.6	175.9	-71.3	171.2	0	0	0	112.5	P554 R596 Y597 K598 R604	P554-L600 HydrophobicContact CB-CB 3.73Å; P554-L600 HydrophobicContact CG-CB 3.96Å; P554-L600 HydrophobicContact CG-CD1 3.98Å; R596-L600 VanDerWaalsContact O-CG 3.29Å; R596-L600 WeakPolarHBondContact O-CG 3.28Å; R596-L600 PolarHBondContact O-N 3.19Å; Y597-L600 HydrophobicContact CD1-CD1 4.3Å; Y597-L600 PolarHBondContact O-N 2.91Å; K598-L600 VanDerWaalsContact C-N 3.32Å; K598-L600 PolarHBondContact O-N 2.88Å; L600-R604 VanDerWaalsContact O-CB 3.26Å; L600-R604 WeakPolarHBondContact O-CB 3.36Å; L600-R604 PolarHBondContact O-N 2.91Å
601	L	91.6	Very high	89	Confident	39 Å²	39	89.2 Å²	89.2	20%	0.204	44%	0.437	C	S	.	.	H	α-helix	trans	-65.3	-47	173.8	-71.7	167.2	0	0	0	111.3	T552 P554 Y597 K598 K603 R604 A605	T552-L601 HydrophobicContact CG2-CD1 4.04Å; T552-L601 HydrophobicContact CG2-CD2 3.88Å; P554-L601 HydrophobicContact CB-CD2 4.06Å; P554-L601 HydrophobicContact CB-CG 4.11Å; Y597-L601 WeakPolarHBondContact O-CG 3.49Å; Y597-L601 PolarHBondContact O-N 3.46Å; K598-L601 PolarHBondContact O-N 2.84Å; L601-K603 VanDerWaalsContact C-N 3.34Å; L601-K603 PolarHBondContact O-N 2.69Å; L601-R604 WeakPolarHBondContact O-CB 3.43Å; L601-R604 PolarHBondContact O-N 3.22Å; L601-A605 PolarHBondContact O-N 2.93Å
602	A	91.5	Very high	89.9	Confident	65 Å²	65	86.5 Å²	86.5	54%	0.537	42%	0.424	S	S	.	.	H	α-helix	trans	-59.4	-44.4	175.2	0	0	0	0	0	111.6	K598 E599 A605 E606	K598-A602 PolarHBondContact O-N 2.99Å; E599-A602 PolarHBondContact O-N 3.49Å; A602-A605 PolarHBondContact O-N 3.14Å; A602-E606 PolarHBondContact O-N 3.33Å
603	K	91.8	Very high	90.5	Very high	96 Å²	96	87.8 Å²	87.8	42%	0.417	43%	0.425	S	S	.	.	H	α-helix	trans	-65.8	-38.4	176.6	-164.3	73.7	-153	168.4	0	112.5	E599 L601 E606 L607	E599-K603 WeakPolarHBondContact O-CB 3.43Å; E599-K603 PolarHBondContact O-N 3.39Å; L601-K603 VanDerWaalsContact C-N 3.34Å; L601-K603 PolarHBondContact O-N 2.69Å; K603-E606 WeakPolarHBondContact CE-OE2 3.36Å; K603-E606 IonicContact NZ-OE1 2.65Å; K603-E606 PolarHBondContact NZ-OE1 2.89Å; K603-E606 IonicContact NZ-OE2 3.86Å; K603-E606 PolarHBondContact NZ-OE2 3.11Å; K603-E606 PolarHBondContact O-N 3.41Å; K603-L607 HydrophobicContact CG-CD1 4.26Å; K603-L607 WeakPolarHBondContact O-CB 3.29Å; K603-L607 VanDerWaalsContact O-CG 3.29Å; K603-L607 WeakPolarHBondContact O-CG 3.45Å; K603-L607 PolarHBondContact O-N 3.42Å
604	R	88.6	Confident	91	Very high	124 Å²	124	88.4 Å²	88.4	47%	0.468	43%	0.428	S	S	.	.	H	α-helix	trans	-61.6	-44.1	173.8	178	177.8	171.5	174.4	-5.7	111.1	P554 Y556 L600 L601 L607 Q608	P554-R604 PolarHBondContact O-NH1 3.43Å; Y556-R604 PolarHBondContact O-NH1 3.4Å; Y556-R604 PolarHBondContact O-NH2 2.66Å; L600-R604 VanDerWaalsContact O-CB 3.26Å; L600-R604 WeakPolarHBondContact O-CB 3.36Å; L600-R604 PolarHBondContact O-N 2.91Å; L601-R604 WeakPolarHBondContact O-CB 3.43Å; L601-R604 PolarHBondContact O-N 3.22Å; R604-L607 PolarHBondContact O-N 2.71Å; R604-Q608 VanDerWaalsContact O-CB 3.25Å; R604-Q608 WeakPolarHBondContact O-CB 3.12Å; R604-Q608 PolarHBondContact O-N 3.45Å
605	A	89.9	Confident	91.5	Very high	61 Å²	61	92.1 Å²	92.1	50%	0.504	45%	0.446	S	S	.	.	H	α-helix	trans	-63.8	-43.1	177.2	0	0	0	0	0	112.5	L601 A602 Q608 K609	L601-A605 PolarHBondContact O-N 2.93Å; A602-A605 PolarHBondContact O-N 3.14Å; A605-Q608 PolarHBondContact O-N 3.3Å; A605-K609 WeakPolarHBondContact O-CB 3.48Å; A605-K609 PolarHBondContact O-N 3Å
606	E	93.9	Very high	91.8	Very high	104 Å²	104	96.4 Å²	96.4	49%	0.486	46%	0.457	S	S	.	.	H	α-helix	trans	-59	-48.2	174.1	-173.9	-157.3	132.3	0	0	111.9	A602 K603 K610	A602-E606 PolarHBondContact O-N 3.33Å; K603-E606 WeakPolarHBondContact CE-OE2 3.36Å; K603-E606 IonicContact NZ-OE1 2.65Å; K603-E606 PolarHBondContact NZ-OE1 2.89Å; K603-E606 IonicContact NZ-OE2 3.86Å; K603-E606 PolarHBondContact NZ-OE2 3.11Å; K603-E606 PolarHBondContact O-N 3.41Å; E606-K610 PolarHBondContact O-N 3.39Å; E606-K610 VanDerWaalsContact O-N 3.08Å
607	L	92.3	Very high	92	Very high	92 Å²	92	93.4 Å²	93.4	48%	0.482	45%	0.449	S	S	.	.	H	α-helix	trans	-66.6	-40.9	179.7	-70.6	172.3	0	0	0	112.1	K603 R604 K610 V611	K603-L607 HydrophobicContact CG-CD1 4.26Å; K603-L607 WeakPolarHBondContact O-CB 3.29Å; K603-L607 VanDerWaalsContact O-CG 3.29Å; K603-L607 WeakPolarHBondContact O-CG 3.45Å; K603-L607 PolarHBondContact O-N 3.42Å; R604-L607 PolarHBondContact O-N 2.71Å; L607-K610 PolarHBondContact O-N 3.3Å; L607-V611 WeakPolarHBondContact O-CG2 3.24Å; L607-V611 PolarHBondContact O-N 3.08Å
608	Q	90.6	Very high	92.1	Very high	97 Å²	97	96 Å²	96	45%	0.453	47%	0.466	S	S	.	.	H	α-helix	trans	-60.5	-48.5	176.9	180	59.5	34.6	0	0	111.2	R604 A605 K610 V611 E612	R604-Q608 VanDerWaalsContact O-CB 3.25Å; R604-Q608 WeakPolarHBondContact O-CB 3.12Å; R604-Q608 PolarHBondContact O-N 3.45Å; A605-Q608 PolarHBondContact O-N 3.3Å; Q608-K610 VanDerWaalsContact C-N 3.3Å; Q608-K610 PolarHBondContact O-N 2.88Å; Q608-V611 WeakPolarHBondContact O-CB 3.22Å; Q608-V611 PolarHBondContact O-N 3.49Å; Q608-V611 VanDerWaalsContact O-N 3.13Å; Q608-E612 WeakPolarHBondContact CG-OE1 3.21Å; Q608-E612 PolarHBondContact NE2-OE1 2.95Å; Q608-E612 PolarHBondContact O-N 3.11Å
609	K	93.3	Very high	92.1	Very high	127 Å²	127	96.2 Å²	96.2	55%	0.552	48%	0.476	S	S	*	.	H	α-helix	trans	-57.3	-43.3	175	179.1	178.1	170.1	-177.9	0	111.8	A605 V611 E612 E613	A605-K609 WeakPolarHBondContact O-CB 3.48Å; A605-K609 PolarHBondContact O-N 3Å; K609-V611 VanDerWaalsContact C-N 3.33Å; K609-V611 PolarHBondContact O-N 2.9Å; K609-E612 PolarHBondContact O-N 3.3Å; K609-E613 WeakPolarHBondContact CE-OE1 3.37Å; K609-E613 IonicContact NZ-OE1 3.67Å; K609-E613 WeakPolarHBondContact O-CG 3.45Å; K609-E613 PolarHBondContact O-N 2.83Å
610	K	94.4	Very high	91.9	Very high	121 Å²	121	94.9 Å²	94.9	53%	0.526	47%	0.473	S	S	.	.	H	α-helix	trans	-64.7	-35	177.6	-171.4	171.9	-176.1	173.4	0	112.8	E606 L607 Q608 L614	E606-K610 PolarHBondContact O-N 3.39Å; E606-K610 VanDerWaalsContact O-N 3.08Å; L607-K610 PolarHBondContact O-N 3.3Å; Q608-K610 VanDerWaalsContact C-N 3.3Å; Q608-K610 PolarHBondContact O-N 2.88Å; K610-L614 HydrophobicContact CG-CD1 4.23Å; K610-L614 WeakPolarHBondContact O-CB 3.34Å; K610-L614 VanDerWaalsContact O-CG 3.26Å; K610-L614 WeakPolarHBondContact O-CG 3.15Å; K610-L614 PolarHBondContact O-N 2.99Å
611	V	92.9	Very high	91.5	Very high	66 Å²	66	99.6 Å²	99.6	40%	0.4	49%	0.485	S	S	.	.	H	α-helix	trans	-65.3	-44.9	173	168.9	0	0	0	0	110.8	L607 Q608 K609 L614 Q615	L607-V611 WeakPolarHBondContact O-CG2 3.24Å; L607-V611 PolarHBondContact O-N 3.08Å; Q608-V611 WeakPolarHBondContact O-CB 3.22Å; Q608-V611 PolarHBondContact O-N 3.49Å; Q608-V611 VanDerWaalsContact O-N 3.13Å; K609-V611 VanDerWaalsContact C-N 3.33Å; K609-V611 PolarHBondContact O-N 2.9Å; V611-L614 PolarHBondContact O-N 3.08Å; V611-Q615 HydrophobicContact CG1-CG 4.35Å; V611-Q615 WeakPolarHBondContact O-CB 3.28Å; V611-Q615 VanDerWaalsContact O-CG 3.26Å; V611-Q615 WeakPolarHBondContact O-CG 3.27Å; V611-Q615 PolarHBondContact O-N 3.49Å
612	E	93.6	Very high	90.6	Very high	87 Å²	87	100.9 Å²	100.9	41%	0.407	50%	0.498	S	S	.	.	H	α-helix	trans	-64.6	-38.5	177.9	-70.1	167.5	-160.9	0	0	112.7	Q608 K609 R616	Q608-E612 WeakPolarHBondContact CG-OE1 3.21Å; Q608-E612 PolarHBondContact NE2-OE1 2.95Å; Q608-E612 PolarHBondContact O-N 3.11Å; K609-E612 PolarHBondContact O-N 3.3Å; E612-R616 WeakPolarHBondContact O-CB 3.5Å; E612-R616 PolarHBondContact O-N 2.6Å
613	E	94.6	Very high	89.2	Confident	91 Å²	91	101.9 Å²	101.9	43%	0.425	50%	0.497	S	S	.	.	H	α-helix	trans	-62.7	-49.3	173	-74.5	171.1	172.5	0	0	111.4	K609 Q615 R616 E617	K609-E613 WeakPolarHBondContact CE-OE1 3.37Å; K609-E613 IonicContact NZ-OE1 3.67Å; K609-E613 WeakPolarHBondContact O-CG 3.45Å; K609-E613 PolarHBondContact O-N 2.83Å; E613-Q615 PolarHBondContact O-N 2.85Å; E613-R616 WeakPolarHBondContact O-CB 3.25Å; E613-R616 PolarHBondContact O-N 3.05Å; E613-E617 PolarHBondContact O-N 3.12Å
614	L	94.8	Very high	87.6	Confident	86 Å²	86	100.5 Å²	100.5	45%	0.45	50%	0.5	S	S	.	.	H	α-helix	trans	-64.3	-38.2	177.5	-72.3	169.6	0	0	0	112.7	K610 V611 R616 E617 I618	K610-L614 HydrophobicContact CG-CD1 4.23Å; K610-L614 WeakPolarHBondContact O-CB 3.34Å; K610-L614 VanDerWaalsContact O-CG 3.26Å; K610-L614 WeakPolarHBondContact O-CG 3.15Å; K610-L614 PolarHBondContact O-N 2.99Å; V611-L614 PolarHBondContact O-N 3.08Å; L614-R616 VanDerWaalsContact C-N 3.35Å; L614-E617 PolarHBondContact O-N 3.46Å; L614-I618 VanDerWaalsContact O-CG1 3.29Å; L614-I618 WeakPolarHBondContact O-CG1 3.48Å; L614-I618 PolarHBondContact O-N 2.62Å
615	Q	93	Very high	86	Confident	113 Å²	113	98.2 Å²	98.2	53%	0.528	50%	0.503	S	S	.	.	H	α-helix	trans	-61.7	-43.7	173.3	-76.8	173.9	-7.5	0	0	111.2	V611 E613 I618 S619	V611-Q615 HydrophobicContact CG1-CG 4.35Å; V611-Q615 WeakPolarHBondContact O-CB 3.28Å; V611-Q615 VanDerWaalsContact O-CG 3.26Å; V611-Q615 WeakPolarHBondContact O-CG 3.27Å; V611-Q615 PolarHBondContact O-N 3.49Å; E613-Q615 PolarHBondContact O-N 2.85Å; Q615-I618 PolarHBondContact O-N 3Å; Q615-S619 PolarHBondContact O-N 3.46Å; Q615-S619 PolarHBondContact O-OG 3.12Å
616	R	92.3	Very high	84.2	Confident	162 Å²	162	99.3 Å²	99.3	61%	0.611	51%	0.507	S	S	*	.	H	α-helix	trans	-63.9	-39.8	175.6	-167.3	-177.9	-59.9	171	4	112.2	E612 E613 L614 S619 N620	E612-R616 WeakPolarHBondContact O-CB 3.5Å; E612-R616 PolarHBondContact O-N 2.6Å; E613-R616 WeakPolarHBondContact O-CB 3.25Å; E613-R616 PolarHBondContact O-N 3.05Å; L614-R616 VanDerWaalsContact C-N 3.35Å; R616-S619 PolarHBondContact O-N 3.45Å; R616-N620 WeakPolarHBondContact O-CB 3.35Å; R616-N620 PolarHBondContact O-N 3.19Å
617	E	92.3	Very high	82.1	Confident	100 Å²	100	101.8 Å²	101.8	47%	0.467	52%	0.518	S	S	.	.	H	α-helix	trans	-61.5	-42.4	173	-75.4	-169.6	-169.5	0	0	112.4	E613 L614 N620 R621	E613-E617 PolarHBondContact O-N 3.12Å; L614-E617 PolarHBondContact O-N 3.46Å; E617-N620 PolarHBondContact O-N 3.27Å; E617-R621 WeakPolarHBondContact O-CB 3.2Å; E617-R621 WeakPolarHBondContact O-CG 3.43Å; E617-R621 PolarHBondContact O-N 3.47Å
618	I	92.1	Very high	80.1	Confident	117 Å²	117	108.7 Å²	108.7	60%	0.6	54%	0.538	S	S	*	.	H	α-helix	trans	-62.8	-46.2	176.8	-69.9	164.1	0	0	0	110.5	L614 Q615 N620 R621 S622	L614-I618 VanDerWaalsContact O-CG1 3.29Å; L614-I618 WeakPolarHBondContact O-CG1 3.48Å; L614-I618 PolarHBondContact O-N 2.62Å; Q615-I618 PolarHBondContact O-N 3Å; I618-N620 VanDerWaalsContact C-N 3.34Å; I618-N620 PolarHBondContact O-N 2.95Å; I618-R621 PolarHBondContact O-N 3.31Å; I618-S622 PolarHBondContact O-N 3.29Å; I618-S622 PolarHBondContact O-OG 3.3Å
619	S	89.5	Confident	78.2	Confident	68 Å²	68	108.2 Å²	108.2	48%	0.476	55%	0.551	S	S	.	*	H	α-helix	trans	-63.1	-36.3	176.2	-63.4	0	0	0	0	113.4	Q615 R616 S622 T623	Q615-S619 PolarHBondContact O-N 3.46Å; Q615-S619 PolarHBondContact O-OG 3.12Å; R616-S619 PolarHBondContact O-N 3.45Å; S619-S622 PolarHBondContact O-OG 2.83Å; S619-T623 PolarHBondContact O-N 3.09Å; S619-T623 PolarHBondContact O-OG1 2.65Å; S619-T623 VanDerWaalsContact O-OG1 3.07Å
620	N	86.3	Confident	76.1	Confident	101 Å²	101	106.6 Å²	106.6	54%	0.54	56%	0.555	S	S	.	*	H	α-helix	trans	-73.8	-32.2	176.8	-72.2	-9.7	0	0	0	112.4	R616 E617 I618 T623 S624	R616-N620 WeakPolarHBondContact O-CB 3.35Å; R616-N620 PolarHBondContact O-N 3.19Å; E617-N620 PolarHBondContact O-N 3.27Å; I618-N620 VanDerWaalsContact C-N 3.34Å; I618-N620 PolarHBondContact O-N 2.95Å; N620-T623 PolarHBondContact O-OG1 3.21Å; N620-S624 WeakPolarHBondContact O-CB 3.42Å; N620-S624 PolarHBondContact O-N 3.08Å
621	R	82.6	Confident	73.5	Confident	174 Å²	174	106.2 Å²	106.2	66%	0.657	57%	0.568	S	S	*	*	H	α-helix	trans	-70.2	-43.6	174	-74.4	179.2	-173	-141.7	5.6	111.3	E617 I618 T623 S624 S625	E617-R621 WeakPolarHBondContact O-CB 3.2Å; E617-R621 WeakPolarHBondContact O-CG 3.43Å; E617-R621 PolarHBondContact O-N 3.47Å; I618-R621 PolarHBondContact O-N 3.31Å; R621-T623 PolarHBondContact O-N 3.25Å; R621-S624 PolarHBondContact O-N 2.83Å; R621-S624 PolarHBondContact O-OG 3.45Å; R621-S625 PolarHBondContact O-N 3.43Å; R621-S625 PolarHBondContact O-OG 3.21Å
622	S	71.6	Confident	71.4	Confident	67 Å²	67	108.8 Å²	108.8	47%	0.469	59%	0.586	S	S	.	*	H	α-helix	trans	-65.3	-36.6	-179	62.4	0	0	0	0	113.1	I618 S619 S625 S626	I618-S622 PolarHBondContact O-N 3.29Å; I618-S622 PolarHBondContact O-OG 3.3Å; S619-S622 PolarHBondContact O-OG 2.83Å; S622-S625 WeakPolarHBondContact CA-OG 3.45Å; S622-S625 PolarHBondContact O-OG 3.21Å; S622-S626 PolarHBondContact O-N 3.04Å
623	T	62.5	Low	69	Low	86 Å²	86	109.7 Å²	109.7	53%	0.528	61%	0.608	S	S	.	*	H	α-helix	trans	-65.6	-45.1	171.1	47	0	0	0	0	112	S619 N620 R621 S625 S626	S619-T623 PolarHBondContact O-N 3.09Å; S619-T623 PolarHBondContact O-OG1 2.65Å; S619-T623 VanDerWaalsContact O-OG1 3.07Å; N620-T623 PolarHBondContact O-OG1 3.21Å; R621-T623 PolarHBondContact O-N 3.25Å; T623-S625 VanDerWaalsContact C-N 3.27Å; T623-S625 PolarHBondContact O-N 3.19Å; T623-S626 VanDerWaalsContact O-CB 3.31Å; T623-S626 WeakPolarHBondContact O-CB 3.11Å; T623-S626 PolarHBondContact O-N 3.44Å
624	S	58.6	Low	66.3	Low	66 Å²	66	114.5 Å²	114.5	46%	0.462	63%	0.63	S	S	.	*	H	α-helix	trans	-62.2	-29.2	177.9	76.9	0	0	0	0	114.2	N620 R621 S626	N620-S624 WeakPolarHBondContact O-CB 3.42Å; N620-S624 PolarHBondContact O-N 3.08Å; R621-S624 PolarHBondContact O-N 2.83Å; R621-S624 PolarHBondContact O-OG 3.45Å; S624-S626 VanDerWaalsContact C-N 3.33Å
625	S	55.4	Low	63.7	Low	76 Å²	76	116.4 Å²	116.4	53%	0.531	65%	0.65	S	S	.	*	H	α-helix	trans	-74.2	-21.8	173.7	45.4	0	0	0	0	113.8	R621 S622 T623	R621-S625 PolarHBondContact O-N 3.43Å; R621-S625 PolarHBondContact O-OG 3.21Å; S622-S625 WeakPolarHBondContact CA-OG 3.45Å; S622-S625 PolarHBondContact O-OG 3.21Å; T623-S625 VanDerWaalsContact C-N 3.27Å; T623-S625 PolarHBondContact O-N 3.19Å
626	S	52.2	Low	61	Low	85 Å²	85	117.4 Å²	117.4	59%	0.594	66%	0.663	S	S	*	*	H	α-helix	trans	-73.6	-38.6	178	-164.4	0	0	0	0	112	S622 T623 S624 R628 A629	S622-S626 PolarHBondContact O-N 3.04Å; T623-S626 VanDerWaalsContact O-CB 3.31Å; T623-S626 WeakPolarHBondContact O-CB 3.11Å; T623-S626 PolarHBondContact O-N 3.44Å; S624-S626 VanDerWaalsContact C-N 3.33Å; S626-R628 VanDerWaalsContact C-N 3.34Å; S626-R628 PolarHBondContact O-N 3.33Å; S626-A629 PolarHBondContact O-N 2.73Å
627	E	50.3	Low	58.4	Low	156 Å²	156	115.4 Å²	115.4	73%	0.729	67%	0.669	S	S	*	*	H	α-helix	trans	-70.2	-27.6	-177.6	-64.6	-174.1	152.2	0	0	113.3	A629 S630	E627-A629 VanDerWaalsContact C-N 3.26Å; E627-A629 PolarHBondContact O-N 2.91Å; E627-S630 PolarHBondContact O-OG 2.9Å; E627-S630 VanDerWaalsContact O-OG 3.11Å
628	R	49.7	Very low	56.2	Low	237 Å²	237	116.4 Å²	116.4	89%	0.894	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-7.9	175.1	-74.2	-171.4	176.1	-173.3	-0.3	114.3	S626	S626-R628 VanDerWaalsContact C-N 3.34Å; S626-R628 PolarHBondContact O-N 3.33Å
629	A	49.8	Very low	53.4	Low	87 Å²	87	117.5 Å²	117.5	72%	0.719	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-3.2	177.7	0	0	0	0	0	113.7	S626 E627	S626-A629 PolarHBondContact O-N 2.73Å; E627-A629 VanDerWaalsContact C-N 3.26Å; E627-A629 PolarHBondContact O-N 2.91Å
630	S	50.1	Low	51	Low	92 Å²	92	122.8 Å²	122.8	64%	0.643	71%	0.713	S	S	*	*			trans	-103.2	102.3	177.5	55	0	0	0	0	112.5	E627	E627-S630 PolarHBondContact O-OG 2.9Å; E627-S630 VanDerWaalsContact O-OG 3.11Å
631	S	40.1	Very low	48.5	Very low	113 Å²	113	124.5 Å²	124.5	79%	0.79	73%	0.728	S	S	*	*			trans	-147.4	149.4	161.8	-79.1	0	0	0	0	109.1
632	P	47.7	Very low	46.2	Very low	121 Å²	121	122.4 Å²	122.4	79%	0.786	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-85.2	149.4	-139.4	30.6	-36.7	0	0	0	115.1	Q634	P632-Q634 PolarHBondContact O-N 2.65Å
633	A	44.2	Very low	44.6	Very low	105 Å²	105	129.1 Å²	129.1	87%	0.868	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-63.4	121	170.4	0	0	0	0	0	111.1
634	Q	37.4	Very low	43.7	Very low	192 Å²	192	131.3 Å²	131.3	90%	0.897	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-84.8	125.3	165	-82.4	-173.4	-29.1	0	0	110.2	P632	P632-Q634 PolarHBondContact O-N 2.65Å
635	C	41.2	Very low	42.9	Very low	126 Å²	126	134.7 Å²	134.7	85%	0.851	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-91.3	121.5	175.6	179.8	0	0	0	0	109.9
636	V	35.5	Very low	42.2	Very low	134 Å²	134	137.9 Å²	137.9	81%	0.812	82%	0.816	S	S	*	*			trans	-138.8	146.9	164.4	-174.5	0	0	0	0	109.9
637	T	37	Very low	41.6	Very low	121 Å²	121	141.1 Å²	141.1	74%	0.742	83%	0.829	S	S	*	*			trans	-74.8	164.5	-160.3	34.4	0	0	0	0	117.8
638	P	47.6	Very low	41.1	Very low	121 Å²	121	140.1 Å²	140.1	79%	0.786	84%	0.835	S	S	*	*			trans	-84.4	154.2	-179.3	35.5	-36.4	0	0	0	113.7
639	V	33.5	Very low	40.5	Very low	140 Å²	140	133.7 Å²	133.7	85%	0.848	83%	0.831	S	S	*	*			trans	-136.6	129.7	165.6	179	0	0	0	0	109.3
640	Q	38.8	Very low	39.9	Very low	178 Å²	178	137 Å²	137	83%	0.832	84%	0.839	S	S	*	*			trans	-86.2	143.9	171.1	-61	170.3	-51.6	0	0	110.2
641	T	32.8	Very low	39.1	Very low	137 Å²	137	140.5 Å²	140.5	84%	0.84	85%	0.854	S	S	*	*				-172.9	130	117.9	22.9	0	0	0	0	113.7
642	V	34.4	Very low	39	Very low	130 Å²	130	142.8 Å²	142.8	79%	0.788	86%	0.859	S	S	*	*			trans	-1.3	122.8	139.8	-172.1	0	0	0	0	117
643	V	38.3	Very low	38.2	Very low	208 Å²	208	144.7 Å²	144.7	100%	1.261	87%	0.866	S	S	*	*				-147.2	0	90.2	165.5	0	0	0	0	108.5

Retrieved 643 of 643 residues in 167.7 ms (Link to these results)

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