A0A096N6B2_PAPAN Loading...

ZFP62 zinc finger protein

May play a role in differentiating skeletal muscle.

AlphaFold DB , UniProt , Accession A0A096N6B2, Species PAPAN (Papio anubis, Olive baboon), Gene ZFP62, Length 904 aa.

						>A0A096N6B2_PAPAN|A0A096N6B2|ZFP62
MSHLKTSTEDEEPTEEYANAGNTESKWPKGEGLHRDPVPESKVGDTCVWDSKVESQQEKPVENRMKEDKSCIREAISTAKSTANIKTEQEGEASEKSLRLSPQHITHQTMPVGQRGSEQGKCVENVNGTSHPSLQQKTNAVKKLHKCDECGKSFKYNSRLVQHKIMHTGEKRYECDDCGGTFRSSSSLRVHKRIHTGEKPYACEECGKAYMSYSSLINHKSTHSGEKNCKCDECGKSFNYSSVLDQHKRIHTGEKPYECGECGKAFRNSSGLRVHKRIHTGEKPYECDICGKTFSNSSGLRVHKRIHTGEKPYECDECGKAFITCRTLLNHKSIHFGDKPYKCDECEKSFNYSSLLIQHKVIHTGEKPYECDECGKAFRNSSGLIVHKRIHTGEKPYKCDVCGKAFSYSSGLAVHKSIHPGKKAHECKECGKSFSYNSLLLQHRTIHTGERPYVCDVCGKTFRNNAGLKVHRRLHTGEKPYKCDVCGKAYISRSSLKNHKGIHLGEKPYKCSYCEKSFNYSSALEQHKRIHTREKPFGCDECGKAFRNNSGLKVHKRIHTGERPYKCEECGKAYISLSSLINHKSVHPGEKPFKCDECEKAFITYRTLINHKKVHLGEKPYKCDVCEKSFNYTSLLSQHKRVHTREKPYECDRCEKVFRNNSSLKVHKRIHTGEKPYECDVCGKAYISHSSLINHKSTHPGKTPHPCDECGKAFFSSRTLISHKRVHLGEKPFKCVECGKSFSYSSLLSQHKRVHTGEKPYVCDRCGKAFRNSSGLTVHKRIHTGEKPYECDECGKAYISHSSLINHKSVHQGKQPYNCECGKSFNYRSVLDQHKRIHTGRKPYRCNECGKAFNIRSNLTKHKRTHTGEESLSVIYVGSYSGTSQKRTYEGGSALDGSRMRLPL
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.4	Very low	26.7	Very low	233 Å²	233	151.8 Å²	151.8	100%	1.148	80%	0.798	S	S	*	*				0	150.5	0	-79	170.3	154.5	0	0	108.8
2	S	28.8	Very low	26.2	Very low	115 Å²	115	154.4 Å²	154.4	80%	0.804	80%	0.803	S	S	*	*			trans	47.2	96.2	154	52.8	0	0	0	0	119.9
3	H	27.4	Very low	27.4	Very low	178 Å²	178	150.5 Å²	150.5	82%	0.824	79%	0.793	S	S	*	*			trans	-59.6	-172.8	157.7	-65.9	-106.6	0	0	0	116.4
4	L	29.4	Very low	27.1	Very low	146 Å²	146	150.4 Å²	150.4	76%	0.764	80%	0.801	S	S	*	*			trans	96.8	119.4	160.7	-59.6	163.5	0	0	0	114.5
5	K	28.8	Very low	26.7	Very low	190 Å²	190	151.9 Å²	151.9	83%	0.826	80%	0.802	S	S	*	*				71.7	140.6	71.3	-71.3	-166.2	-176.5	-174	0	111.5
6	T	24.6	Very low	26.5	Very low	122 Å²	122	151.1 Å²	151.1	75%	0.748	79%	0.793	S	S	*	*			cis	-134.7	161.5	33.4	40	0	0	0	0	111.8
7	S	26.1	Very low	26.2	Very low	94 Å²	94	153.2 Å²	153.2	66%	0.657	79%	0.789	S	S	*	*				61.9	138.7	57.1	90.4	0	0	0	0	114.1
8	T	25.3	Very low	26	Very low	98 Å²	98	149.9 Å²	149.9	60%	0.601	79%	0.789	S	S	*	*			cis	-165	172.7	7.2	-5.5	0	0	0	0	112
9	E	25.3	Very low	25.9	Very low	155 Å²	155	150.9 Å²	150.9	72%	0.724	80%	0.795	S	S	*	*			trans	60.2	154.7	148.2	-72.1	133.1	-155.5	0	0	120.3
10	D	22.1	Very low	25.7	Very low	148 Å²	148	148.1 Å²	148.1	79%	0.791	79%	0.794	S	S	*	*			cis	-163.6	-171.4	-22.1	-110.5	2.9	0	0	0	111.7
11	E	24.5	Very low	25.5	Very low	191 Å²	191	144 Å²	144	89%	0.893	79%	0.787	S	S	*	*			trans	89.3	111.4	164.6	-54.8	-154.7	148.2	0	0	121.4
12	E	21.1	Very low	25.2	Very low	183 Å²	183	140.5 Å²	140.5	86%	0.855	77%	0.773	S	S	*	*			trans	-93.3	-166.8	143.2	-44	-173.6	131.9	0	0	108.4
13	P	41	Very low	24.9	Very low	104 Å²	104	141.2 Å²	141.2	68%	0.675	77%	0.773	S	S	*	*			cis	-130.7	-171.9	-17	36.2	-17	0	0	0	112.7
14	T	23	Very low	24.6	Very low	148 Å²	148	139.4 Å²	139.4	91%	0.908	77%	0.765	S	S	*	*			trans	-159.9	141.3	144.2	-5.9	0	0	0	0	111
15	E	21.8	Very low	24.3	Very low	173 Å²	173	138.6 Å²	138.6	81%	0.808	77%	0.771	S	S	*	*			trans	-107.2	179	-178.5	-64.1	-169.5	95.1	0	0	113.1
16	E	22.6	Very low	24	Very low	140 Å²	140	136.9 Å²	136.9	65%	0.654	76%	0.764	S	S	*	*			trans	91.1	159.8	135.3	-99.4	-173.5	149.1	0	0	123
17	Y	22.6	Very low	23.8	Very low	186 Å²	186	140.9 Å²	140.9	73%	0.729	77%	0.765	S	S	*	*			trans	56.2	85.4	173.7	-62.3	-66.6	0	0	0	121.7
18	A	21.7	Very low	24	Very low	95 Å²	95	142 Å²	142	79%	0.785	77%	0.77	S	S	*	*				3.1	146.6	120.8	0	0	0	0	0	119.9
19	N	24.8	Very low	23.9	Very low	168 Å²	168	143.5 Å²	143.5	90%	0.898	77%	0.768	S	S	*	*			trans	-143.9	159.3	139.9	-151	-14.8	0	0	0	111
20	A	21.5	Very low	23.8	Very low	94 Å²	94	139.7 Å²	139.7	78%	0.777	77%	0.771	S	S	*	*			trans	-137.2	162	-175.6	0	0	0	0	0	111.4
21	G	22.6	Very low	23.9	Very low	64 Å²	64	140 Å²	140	66%	0.66	77%	0.768	S	S	*	*			trans	140.8	117.8	161.8	0	0	0	0	0	116.3
22	N	23.1	Very low	23.8	Very low	159 Å²	159	134.2 Å²	134.2	85%	0.85	76%	0.76	S	S	*	*			trans	64.2	155	143.4	-64.3	-6.7	0	0	0	119.5
23	T	23.4	Very low	23.9	Very low	130 Å²	130	132.5 Å²	132.5	80%	0.798	76%	0.756	S	S	*	*			cis	-140.4	169.7	4.2	-19.4	0	0	0	0	111.9
24	E	21.1	Very low	23.1	Very low	140 Å²	140	134.6 Å²	134.6	65%	0.654	76%	0.756	S	S	*	*			trans	-69.3	162	178.3	-60.5	-177.3	93.1	0	0	115.1	K26	E24-K26 IonicContact OE1-NZ 2.6Å; E24-K26 PolarHBondContact OE1-NZ 2.97Å
25	S	24.2	Very low	23.1	Very low	129 Å²	129	137 Å²	137	90%	0.902	75%	0.749	S	S	*	*			trans	-156.2	133.3	139.9	-80.4	0	0	0	0	110.4
26	K	21.9	Very low	23.1	Very low	154 Å²	154	134.5 Å²	134.5	67%	0.67	74%	0.741	S	S	*	*			trans	-123.7	132.6	-177.4	-76.1	-172.7	-175.9	95.3	0	111.7	E24	E24-K26 IonicContact OE1-NZ 2.6Å; E24-K26 PolarHBondContact OE1-NZ 2.97Å
27	W	21.1	Very low	23.8	Very low	205 Å²	205	133.6 Å²	133.6	78%	0.777	75%	0.747	S	S	*	*			trans	66.7	175.9	146.1	-73.2	56.2	0	0	0	114	K29	W27-K29 HydrophobicContact CE3-CB 3.86Å; W27-K29 HydrophobicContact CE3-CD 4.26Å; W27-K29 HydrophobicContact CE3-CG 4.12Å; W27-K29 HydrophobicContact CZ3-CB 4.14Å; W27-K29 HydrophobicContact CZ3-CD 3.93Å; W27-K29 HydrophobicContact CZ3-CG 3.88Å
28	P	29.8	Very low	23.9	Very low	118 Å²	118	130.4 Å²	130.4	77%	0.766	75%	0.747	S	S	*	*			cis	-94.8	169.4	3.4	44.3	-37.5	0	0	0	112.4
29	K	22.9	Very low	24.4	Very low	129 Å²	129	131.9 Å²	131.9	56%	0.561	75%	0.748	S	S	*	*			cis	71.2	115.8	39.8	-137.4	-164.1	-172.8	-141.1	0	113.8	W27 E31	W27-K29 HydrophobicContact CE3-CB 3.86Å; W27-K29 HydrophobicContact CE3-CD 4.26Å; W27-K29 HydrophobicContact CE3-CG 4.12Å; W27-K29 HydrophobicContact CZ3-CB 4.14Å; W27-K29 HydrophobicContact CZ3-CD 3.93Å; W27-K29 HydrophobicContact CZ3-CG 3.88Å; K29-E31 WeakPolarHBondContact CE-OE1 3.42Å; K29-E31 IonicContact NZ-OE1 3.79Å; K29-E31 PolarHBondContact NZ-OE1 3.37Å; K29-E31 IonicContact NZ-OE2 3.68Å; K29-E31 PolarHBondContact NZ-OE2 3.06Å
30	G	23.5	Very low	24.3	Very low	76 Å²	76	131 Å²	131	78%	0.784	74%	0.739	S	S	*	*			trans	-144.1	131.3	167.7	0	0	0	0	0	108.1
31	E	22.8	Very low	24.4	Very low	153 Å²	153	132.4 Å²	132.4	72%	0.715	74%	0.743	S	S	*	*			trans	-129.9	146.5	-172.7	-75.5	174.9	151.5	0	0	111.1	K29	K29-E31 WeakPolarHBondContact CE-OE1 3.42Å; K29-E31 IonicContact NZ-OE1 3.79Å; K29-E31 PolarHBondContact NZ-OE1 3.37Å; K29-E31 IonicContact NZ-OE2 3.68Å; K29-E31 PolarHBondContact NZ-OE2 3.06Å
32	G	24.1	Very low	24.5	Very low	71 Å²	71	136.8 Å²	136.8	73%	0.732	74%	0.744	S	S	*	*			trans	96.9	158.4	164.8	0	0	0	0	0	116.5
33	L	23	Very low	24.4	Very low	146 Å²	146	135.9 Å²	135.9	76%	0.764	74%	0.743	S	S	*	*			cis	-163.7	165.6	-10.3	-122.3	175	0	0	0	110
34	H	23.6	Very low	24.4	Very low	149 Å²	149	132.8 Å²	132.8	69%	0.69	74%	0.737	S	S	*	*			trans	66.8	150.8	166.6	-67.3	-42.9	0	0	0	118.6
35	R	23.4	Very low	24.4	Very low	199 Å²	199	132.5 Å²	132.5	75%	0.751	74%	0.74	S	S	*	*			cis	-164.9	147.6	-30.3	-132.3	-164.8	160.6	160.7	0.9	109.8
36	D	22.3	Very low	24.2	Very low	119 Å²	119	132.4 Å²	132.4	64%	0.636	73%	0.734	S	S	*	*			trans	29.6	155.5	136.3	-56.8	-8.4	0	0	0	122.4
37	P	35.8	Very low	24.2	Very low	121 Å²	121	130 Å²	130	79%	0.786	74%	0.736	S	S	*	*			cis	-139	-167.5	-18.2	35.5	-13.6	0	0	0	114.7
38	V	25.9	Very low	24.2	Very low	120 Å²	120	125.8 Å²	125.8	73%	0.727	73%	0.732	S	S	*	*			trans	-68.6	172.7	168.2	-141.6	0	0	0	0	112.3
39	P	31.2	Very low	23.8	Very low	126 Å²	126	131.2 Å²	131.2	82%	0.818	74%	0.738	S	S	*	*				-133.3	158.2	107.3	38.5	-31.8	0	0	0	115.4
40	E	23	Very low	23.8	Very low	150 Å²	150	131.2 Å²	131.2	70%	0.701	74%	0.744	S	S	*	*			trans	-74.7	165	174	-58.6	179.9	96.7	0	0	112.8	K42	E40-K42 IonicContact OE1-NZ 3.36Å; E40-K42 PolarHBondContact OE1-NZ 3.11Å; E40-K42 IonicContact OE2-NZ 3.38Å
41	S	23.6	Very low	23.8	Very low	122 Å²	122	133.4 Å²	133.4	85%	0.853	75%	0.747	S	S	*	*			trans	-143	146	138.9	48.7	0	0	0	0	110.5
42	K	24.4	Very low	23.8	Very low	157 Å²	157	133.3 Å²	133.3	68%	0.683	74%	0.744	S	S	*	*			trans	-130.2	179.9	178.5	-72.4	-173.7	177.4	96.8	0	108.6	E40	E40-K42 IonicContact OE1-NZ 3.36Å; E40-K42 PolarHBondContact OE1-NZ 3.11Å; E40-K42 IonicContact OE2-NZ 3.38Å
43	V	22.1	Very low	23.8	Very low	139 Å²	139	135.8 Å²	135.8	84%	0.842	75%	0.745	S	S	*	*			trans	93	108.4	159.3	-171.3	0	0	0	0	116.4
44	G	22.2	Very low	23.9	Very low	65 Å²	65	135.3 Å²	135.3	67%	0.67	74%	0.739	S	S	*	*			trans	82	167.2	132.2	0	0	0	0	0	119.6
45	D	20.8	Very low	23.9	Very low	135 Å²	135	132.7 Å²	132.7	72%	0.722	74%	0.738	S	S	*	*			cis	-169.7	149.6	-27.2	-122.5	-45.8	0	0	0	110.3
46	T	21.1	Very low	24	Very low	126 Å²	126	131 Å²	131	77%	0.773	74%	0.738	S	S	*	*			trans	58.8	169.5	162.5	63.2	0	0	0	0	117.1
47	C	20.9	Very low	24.3	Very low	103 Å²	103	132.2 Å²	132.2	70%	0.696	74%	0.74	S	S	*	*			cis	-157.9	130.8	-21.5	-112.9	0	0	0	0	107.1
48	V	21.5	Very low	23.7	Very low	117 Å²	117	135.2 Å²	135.2	71%	0.709	74%	0.743	S	S	*	*				98.7	158.7	92.1	158.9	0	0	0	0	114.6
49	W	22.1	Very low	23.8	Very low	233 Å²	233	138.7 Å²	138.7	88%	0.883	75%	0.749	S	S	*	*			trans	78.8	143.8	173.8	-71.5	-16	0	0	0	119.8
50	D	22	Very low	23.8	Very low	128 Å²	128	138.8 Å²	138.8	68%	0.684	75%	0.749	S	S	*	*			cis	-164.1	157.1	-35.7	-141.6	-36.4	0	0	0	111.1
51	S	23.7	Very low	24	Very low	122 Å²	122	138.2 Å²	138.2	85%	0.853	76%	0.756	S	S	*	*			trans	172.1	143.2	145.2	-81.7	0	0	0	0	112.5
52	K	23.7	Very low	23.9	Very low	151 Å²	151	141.4 Å²	141.4	66%	0.657	76%	0.757	S	S	*	*			trans	-115.1	156.3	-159.6	-177.4	-173.7	-177.5	-121.7	0	113.5	E54	K52-E54 VanDerWaalsContact CE-CD 3.49Å; K52-E54 VanDerWaalsContact CE-OE1 3.26Å; K52-E54 WeakPolarHBondContact CE-OE1 3.5Å; K52-E54 IonicContact NZ-OE1 3.99Å; K52-E54 PolarHBondContact NZ-OE1 3.23Å; K52-E54 IonicContact NZ-OE2 2.66Å; K52-E54 PolarHBondContact NZ-OE2 3.15Å
53	V	22.8	Very low	23.8	Very low	123 Å²	123	140.2 Å²	140.2	75%	0.745	76%	0.758	S	S	*	*			trans	161.4	104	141.8	154.3	0	0	0	0	106.9
54	E	24.9	Very low	23.9	Very low	136 Å²	136	143.7 Å²	143.7	64%	0.636	76%	0.756	S	S	*	*				66.3	133.2	83.4	-81.8	167.8	162.7	0	0	114.4	K52	K52-E54 VanDerWaalsContact CE-CD 3.49Å; K52-E54 VanDerWaalsContact CE-OE1 3.26Å; K52-E54 WeakPolarHBondContact CE-OE1 3.5Å; K52-E54 IonicContact NZ-OE1 3.99Å; K52-E54 PolarHBondContact NZ-OE1 3.23Å; K52-E54 IonicContact NZ-OE2 2.66Å; K52-E54 PolarHBondContact NZ-OE2 3.15Å
55	S	23.8	Very low	23.9	Very low	95 Å²	95	148.1 Å²	148.1	66%	0.664	76%	0.762	S	S	*	*			cis	-161.2	141.4	6.6	54.7	0	0	0	0	114.4
56	Q	26.5	Very low	24.1	Very low	163 Å²	163	148.2 Å²	148.2	76%	0.762	76%	0.756	S	S	*	*			trans	56.1	158.3	136.9	-62.7	-178.3	-3.9	0	0	120.8
57	Q	27.2	Very low	24.2	Very low	145 Å²	145	149.3 Å²	149.3	68%	0.678	75%	0.752	S	S	*	*			cis	-156	136.9	-17.9	-104.9	163.6	-8.5	0	0	105.1
58	E	23.9	Very low	24.3	Very low	183 Å²	183	149.7 Å²	149.7	86%	0.855	75%	0.747	S	S	*	*				81.6	153.8	62.9	-67.2	-150.6	124.3	0	0	117
59	K	28.9	Very low	24.5	Very low	194 Å²	194	152.3 Å²	152.3	84%	0.843	75%	0.749	S	S	*	*			trans	-128.3	150.6	176.8	-55	172.7	-176.9	173	0	109
60	P	29.8	Very low	24.5	Very low	127 Å²	127	146 Å²	146	83%	0.825	74%	0.74	S	S	*	*			trans	-91.3	155.5	165.8	35.2	-32.5	0	0	0	113.1
61	V	27.4	Very low	24.6	Very low	139 Å²	139	145 Å²	145	84%	0.842	74%	0.742	S	S	*	*			trans	-143.8	120	161.7	173.5	0	0	0	0	108.1
62	E	21.6	Very low	24.6	Very low	188 Å²	188	146.7 Å²	146.7	88%	0.879	74%	0.74	S	S	*	*			trans	-138.1	148.8	162.6	-66	-165.2	110.8	0	0	108.9
63	N	22.8	Very low	24.7	Very low	132 Å²	132	148.5 Å²	148.5	71%	0.706	74%	0.743	S	S	*	*			cis	124.8	139.6	-6.5	-168.4	20.6	0	0	0	112.8
64	R	24.8	Very low	24.9	Very low	212 Å²	212	149.7 Å²	149.7	80%	0.8	74%	0.74	S	S	*	*			trans	84.6	151.8	157.3	-102.7	175.5	-176.5	178.5	1.1	123.3
65	M	22.5	Very low	24.9	Very low	159 Å²	159	147 Å²	147	78%	0.783	74%	0.741	S	S	*	*			trans	75.8	141.8	160.2	-68.8	170.2	77.4	0	0	118.6
66	K	23.6	Very low	25	Very low	137 Å²	137	149.9 Å²	149.9	60%	0.596	75%	0.748	S	S	*	*			cis	-173.1	145.3	-22.3	-125.1	-179.6	175.6	-82.5	0	108.7
67	E	23.2	Very low	25	Very low	149 Å²	149	147 Å²	147	70%	0.696	75%	0.745	S	S	*	*			trans	53.3	156.3	146.1	-79.8	139.3	-145	0	0	120.3
68	D	24	Very low	24.8	Very low	110 Å²	110	146.7 Å²	146.7	59%	0.588	75%	0.753	S	S	*	*			cis	-159.6	166.6	1.7	-152.6	-8.3	0	0	0	112.1
69	K	24.7	Very low	24.8	Very low	172 Å²	172	142.5 Å²	142.5	75%	0.748	75%	0.75	S	S	*	*			trans	56.4	161.7	157.5	-70.8	148.5	-178.1	134.3	0	120.9
70	S	22.5	Very low	24.7	Very low	101 Å²	101	142.7 Å²	142.7	71%	0.706	75%	0.751	S	S	*	*			cis	-165.4	134.7	-38.8	60.4	0	0	0	0	113.5
71	C	24	Very low	24.5	Very low	108 Å²	108	141 Å²	141	73%	0.73	74%	0.742	S	S	*	*			trans	55.7	132.7	136.9	-155.2	0	0	0	0	124.1
72	I	24.2	Very low	24.5	Very low	156 Å²	156	141.3 Å²	141.3	80%	0.8	74%	0.744	S	S	*	*			trans	173.6	113.2	142.7	-91.9	154.6	0	0	0	105.1
73	R	26.8	Very low	24.6	Very low	190 Å²	190	136.2 Å²	136.2	72%	0.717	74%	0.735	S	S	*	*				60.4	142.8	77.4	-66.8	-167	139.6	158.5	-2.6	113.9
74	E	27.1	Very low	24.6	Very low	148 Å²	148	137 Å²	137	69%	0.692	74%	0.739	S	S	*	*			cis	-167.7	171.7	-14.7	-107.2	149.5	-166.3	0	0	104.7
75	A	24.3	Very low	24.8	Very low	79 Å²	79	133.6 Å²	133.6	65%	0.653	74%	0.735	S	S	*	*			cis	-152.3	153	9.2	0	0	0	0	0	108.9
76	I	26	Very low	24.9	Very low	156 Å²	156	134.1 Å²	134.1	80%	0.8	73%	0.733	S	S	*	*				77.7	143.4	88.1	-60.4	176.8	0	0	0	117.1
77	S	25.3	Very low	25	Very low	102 Å²	102	132.1 Å²	132.1	71%	0.713	73%	0.732	S	S	*	*			trans	84	159.8	164.4	76.3	0	0	0	0	119.9
78	T	24.5	Very low	25.1	Very low	138 Å²	138	132.5 Å²	132.5	85%	0.847	73%	0.734	S	S	*	*				-177.9	128.9	-75.8	35.5	0	0	0	0	111.2
79	A	23.8	Very low	25.1	Very low	95 Å²	95	134 Å²	134	79%	0.785	74%	0.738	S	S	*	*			trans	-158.1	130.5	159.9	0	0	0	0	0	106.4
80	K	26.3	Very low	25.1	Very low	198 Å²	198	134 Å²	134	86%	0.861	74%	0.74	S	S	*	*			cis	57.1	132.2	41.6	-66.6	-168.8	176.3	-179.1	0	113.2
81	S	26.2	Very low	25.2	Very low	92 Å²	92	132.9 Å²	132.9	64%	0.643	75%	0.745	S	S	*	*			cis	-171.4	169.5	-10.1	-98.6	0	0	0	0	108.7
82	T	26	Very low	25.2	Very low	145 Å²	145	137.2 Å²	137.2	89%	0.89	75%	0.754	S	S	*	*			trans	63	159.5	157.6	41.1	0	0	0	0	117.3
83	A	24	Very low	25.1	Very low	82 Å²	82	134.4 Å²	134.4	68%	0.678	75%	0.754	S	S	*	*			cis	-136.5	155	-5.2	0	0	0	0	0	108.1
84	N	23.9	Very low	25	Very low	148 Å²	148	130.8 Å²	130.8	79%	0.791	76%	0.758	S	S	*	*				53	121	71.2	-123.6	9	0	0	0	111.5
85	I	27.8	Very low	24.9	Very low	140 Å²	140	130.4 Å²	130.4	72%	0.718	76%	0.756	S	S	*	*				-161.4	175.1	57.8	-99.3	161.3	0	0	0	112.9
86	K	24.3	Very low	24.9	Very low	171 Å²	171	134.5 Å²	134.5	74%	0.743	76%	0.759	S	S	*	*			trans	-37.6	179.7	168.2	-38.9	174.8	-175.4	179.6	0	116.9
87	T	25.5	Very low	24.7	Very low	94 Å²	94	132.1 Å²	132.1	58%	0.577	76%	0.757	S	S	*	*			cis	-164.1	165.4	29.2	-12.8	0	0	0	0	113.5
88	E	25.3	Very low	24.7	Very low	158 Å²	158	134.3 Å²	134.3	74%	0.738	76%	0.76	S	S	*	*			trans	19.8	154.7	136.8	-70.7	142.5	-140.3	0	0	121.5
89	Q	25.8	Very low	24.6	Very low	141 Å²	141	137.7 Å²	137.7	66%	0.659	76%	0.757	S	S	*	*			cis	-159.2	165.4	10.3	-135.4	171.6	-25.6	0	0	114.3
90	E	23.2	Very low	24.6	Very low	172 Å²	172	140.4 Å²	140.4	80%	0.804	76%	0.758	S	S	*	*			trans	14.1	154.6	152	-73.9	149.1	-131.7	0	0	125.5
91	G	25	Very low	24.3	Very low	78 Å²	78	136.1 Å²	136.1	80%	0.804	75%	0.753	S	S	*	*			trans	166.6	113	167.1	0	0	0	0	0	113.2
92	E	23.3	Very low	24.8	Very low	199 Å²	199	136.6 Å²	136.6	93%	0.93	75%	0.753	S	S	*	*			trans	-106.5	177	-173.6	-76.5	-157.2	113.4	0	0	115.3
93	A	23.5	Very low	24.8	Very low	96 Å²	96	137.2 Å²	137.2	79%	0.793	75%	0.746	S	S	*	*			trans	90.3	114.4	156.8	0	0	0	0	0	121.1
94	S	23.3	Very low	24.9	Very low	115 Å²	115	140.4 Å²	140.4	80%	0.804	75%	0.747	S	S	*	*				12.4	152.9	123.2	-83.4	0	0	0	0	120.7
95	E	25.2	Very low	25	Very low	140 Å²	140	140 Å²	140	65%	0.654	74%	0.743	S	S	*	*			cis	-162.5	-180	25.1	-139.4	-167.5	149	0	0	114.5
96	K	25.9	Very low	24.8	Very low	164 Å²	164	139.2 Å²	139.2	71%	0.713	75%	0.745	S	S	*	*			trans	61.5	92.1	151	-78.4	161	179.7	135.9	0	121.5
97	S	21.2	Very low	24.8	Very low	107 Å²	107	139.1 Å²	139.1	75%	0.748	75%	0.747	S	S	*	*			trans	-22.8	142.8	138.6	177.7	0	0	0	0	118
98	L	24.1	Very low	24.8	Very low	148 Å²	148	142.2 Å²	142.2	78%	0.775	76%	0.755	S	S	*	*				-171.9	125.7	118.8	-100.8	168.2	0	0	0	116
99	R	22.8	Very low	24.7	Very low	208 Å²	208	140.3 Å²	140.3	79%	0.785	75%	0.754	S	S	*	*			trans	50.5	140.9	140.2	-87.1	-177.4	-166.8	-108.3	2.9	124.8
100	L	23.5	Very low	24.6	Very low	153 Å²	153	140.7 Å²	140.7	80%	0.801	76%	0.757	S	S	*	*			trans	86.9	128.6	143	-72	162.6	0	0	0	121.2
101	S	21.3	Very low	25.2	Very low	108 Å²	108	137.9 Å²	137.9	76%	0.755	75%	0.754	S	S	*	*			trans	-97.7	175.4	156.6	-29.1	0	0	0	0	108.1
102	P	36.4	Very low	25.2	Very low	102 Å²	102	140.2 Å²	140.2	66%	0.662	75%	0.753	S	S	*	*			cis	-147.6	170.1	41.3	42.5	-21.6	0	0	0	119.1
103	Q	26.1	Very low	25.2	Very low	157 Å²	157	133.9 Å²	133.9	73%	0.734	74%	0.741	S	S	*	*			trans	32.4	126.9	140.5	-61.4	166	-38.2	0	0	121.5
104	H	26.1	Very low	25.3	Very low	150 Å²	150	139 Å²	139	69%	0.694	75%	0.748	S	S	*	*				171.7	134.3	106.7	-90	-69.9	0	0	0	110.4
105	I	25	Very low	25.4	Very low	139 Å²	139	145.3 Å²	145.3	71%	0.713	76%	0.755	S	S	*	*				54.5	121.5	104.1	-56	-174.6	0	0	0	112.6
106	T	23.6	Very low	25.3	Very low	123 Å²	123	141.6 Å²	141.6	76%	0.755	75%	0.753	S	S	*	*			cis	-152.4	178.7	36.8	-20.3	0	0	0	0	114.5
107	H	25	Very low	25.3	Very low	170 Å²	170	138.4 Å²	138.4	79%	0.787	75%	0.752	S	S	*	*			trans	-49.7	166.2	160.4	-61.1	-86.1	0	0	0	115.5
108	Q	25.5	Very low	25.4	Very low	159 Å²	159	141.1 Å²	141.1	74%	0.743	75%	0.753	S	S	*	*			cis	-124.9	-121.9	4.6	-152	-171.6	89.4	0	0	113.6
109	T	23.7	Very low	25.4	Very low	117 Å²	117	141.2 Å²	141.2	72%	0.718	75%	0.749	S	S	*	*			cis	-154	-164.8	3.5	-32.7	0	0	0	0	109.6
110	M	23.2	Very low	25.5	Very low	149 Å²	149	134.5 Å²	134.5	73%	0.734	74%	0.744	S	S	*	*			trans	-137.9	156	179.2	-82.5	-67.8	-73.2	0	0	108
111	P	36.6	Very low	25.6	Very low	114 Å²	114	136.1 Å²	136.1	74%	0.74	75%	0.745	S	S	*	*				-151.9	176.5	65.9	41.9	-20.8	0	0	0	119.2
112	V	24	Very low	25.6	Very low	127 Å²	127	135.6 Å²	135.6	77%	0.77	74%	0.741	S	S	*	*			trans	-9.7	138.1	149.4	-172.6	0	0	0	0	116.2
113	G	22.9	Very low	25.1	Very low	66 Å²	66	136.8 Å²	136.8	68%	0.68	75%	0.745	S	S	*	*			cis	122.6	146.1	4.4	0	0	0	0	0	112.8
114	Q	26.6	Very low	25	Very low	203 Å²	203	136.5 Å²	136.5	95%	0.949	74%	0.744	S	S	*	*			trans	-150.9	163	-179.4	-128.9	167.1	-2.9	0	0	113.8
115	R	24.3	Very low	24.9	Very low	248 Å²	248	136.2 Å²	136.2	94%	0.936	75%	0.748	S	S	*	*			trans	-119.8	139.4	-179.7	-87.2	-179.7	-81.6	-154.7	-6.6	110.9
116	G	24.4	Very low	25	Very low	61 Å²	61	134.5 Å²	134.5	63%	0.629	74%	0.744	S	S	*	*			trans	-144.1	118.7	148	0	0	0	0	0	106.6
117	S	24.3	Very low	25.2	Very low	98 Å²	98	136.1 Å²	136.1	69%	0.685	75%	0.748	S	S	*	*				68	96.7	71.4	72	0	0	0	0	110.9
118	E	24.4	Very low	25.2	Very low	163 Å²	163	131.3 Å²	131.3	76%	0.762	74%	0.744	S	S	*	*				86.9	156.6	99.2	-79.8	-173.6	117.2	0	0	111.8
119	Q	24.8	Very low	25.2	Very low	151 Å²	151	129.7 Å²	129.7	71%	0.706	75%	0.745	S	S	*	*			cis	-153.1	-177	3.5	-129.2	171	47.2	0	0	109.3
120	G	24.7	Very low	25.2	Very low	66 Å²	66	128.9 Å²	128.9	68%	0.68	74%	0.744	S	S	*	*			trans	101.7	106.7	176.7	0	0	0	0	0	113.2
121	K	24.6	Very low	25.6	Very low	187 Å²	187	130.3 Å²	130.3	81%	0.813	75%	0.749	S	S	*	*			cis	65.7	137.2	26.2	-59.2	-171.4	178	178	0	113.9
122	C	21.8	Very low	25.6	Very low	98 Å²	98	130.2 Å²	130.2	66%	0.662	75%	0.748	S	S	*	*			cis	-163.7	-154.4	-6.5	-115.9	0	0	0	0	110.3
123	V	25	Very low	25.7	Very low	126 Å²	126	128.5 Å²	128.5	76%	0.764	74%	0.742	S	S	*	*			trans	87.1	98.2	174.5	-171.1	0	0	0	0	112.1
124	E	23.8	Very low	26	Very low	151 Å²	151	132.2 Å²	132.2	71%	0.706	75%	0.745	S	S	*	*			cis	70.9	111.1	44.2	-53.3	-172.6	125.5	0	0	114.9
125	N	24.7	Very low	26.2	Very low	144 Å²	144	129.7 Å²	129.7	77%	0.77	73%	0.733	S	S	*	*				170.5	164.1	114.3	-88.3	-29.3	0	0	0	111.9
126	V	28.2	Very low	26.5	Very low	104 Å²	104	124.2 Å²	124.2	63%	0.63	72%	0.718	S	S	*	*			cis	-173.6	170.4	-47	125.1	0	0	0	0	108.3
127	N	27	Very low	26.8	Very low	156 Å²	156	129.1 Å²	129.1	83%	0.834	72%	0.723	S	S	*	*			trans	89.3	141.2	-178.2	-53.2	-42.8	0	0	0	114.7
128	G	25	Very low	27	Very low	69 Å²	69	131.2 Å²	131.2	71%	0.711	73%	0.731	S	S	*	*			cis	146	151.9	-1.4	0	0	0	0	0	111.4
129	T	25.2	Very low	27.3	Very low	126 Å²	126	131.6 Å²	131.6	77%	0.773	74%	0.739	S	S	*	*			cis	-158.6	146.1	-6.6	-31.5	0	0	0	0	111.3
130	S	23.1	Very low	27.6	Very low	99 Å²	99	128.1 Å²	128.1	69%	0.692	74%	0.736	S	S	*	*			trans	34.3	118.5	149.5	60.4	0	0	0	0	124.2
131	H	31.5	Very low	28.4	Very low	179 Å²	179	132 Å²	132	83%	0.829	75%	0.746	S	S	*	*				7.3	151.9	113.5	-85.3	-66.8	0	0	0	121.3
132	P	36.6	Very low	29.1	Very low	112 Å²	112	128.5 Å²	128.5	73%	0.727	73%	0.73	S	S	*	*				-138.6	142.2	104.6	40.1	-28.6	0	0	0	113.7
133	S	26.5	Very low	30.2	Very low	91 Å²	91	132.3 Å²	132.3	64%	0.636	74%	0.736	S	S	*	*				77.6	154.1	91.7	94.5	0	0	0	0	115.1
134	L	29	Very low	31.5	Very low	144 Å²	144	130.7 Å²	130.7	75%	0.754	72%	0.723	S	S	*	*			cis	-117.4	154.8	1.1	-81.7	99.2	0	0	0	109.9
135	Q	30.6	Very low	33.1	Very low	150 Å²	150	126.5 Å²	126.5	70%	0.701	70%	0.703	S	S	*	*				58.6	145	60	-58.4	-168.6	20.9	0	0	113.4
136	Q	32	Very low	34.4	Very low	133 Å²	133	126 Å²	126	62%	0.621	69%	0.694	S	S	*	*			cis	-151.2	-175.4	7.1	-137.2	177.9	89.8	0	0	106.7
137	K	30.5	Very low	35.8	Very low	165 Å²	165	121 Å²	121	72%	0.717	66%	0.664	S	S	*	*			cis	-163.6	138.9	4	-163.3	179.7	-160.3	118.9	0	108.1
138	T	28.4	Very low	37.1	Very low	141 Å²	141	119.6 Å²	119.6	87%	0.865	66%	0.656	S	S	*	*			trans	170.4	127.5	138	30.5	0	0	0	0	113.2
139	N	30.5	Very low	38.5	Very low	172 Å²	172	121.6 Å²	121.6	92%	0.92	65%	0.647	S	S	*	*			trans	-89.4	135.7	166.6	-89.1	-38.5	0	0	0	110.2
140	A	30.2	Very low	39.7	Very low	78 Å²	78	117.7 Å²	117.7	65%	0.645	62%	0.624	S	S	*	*			trans	-137.2	114.5	164.5	0	0	0	0	0	108.9	K142	A140-K142 VanDerWaalsContact C-N 3.26Å; A140-K142 PolarHBondContact O-N 3.24Å
141	V	41.4	Very low	41.2	Very low	146 Å²	146	115.6 Å²	115.6	89%	0.885	62%	0.618	S	S	*	*			trans	-72.3	80.7	-179.2	-176.1	0	0	0	0	109.5	K143	V141-K143 PolarHBondContact O-N 3.38Å
142	K	40.2	Very low	42	Very low	114 Å²	114	112.3 Å²	112.3	50%	0.496	60%	0.601	S	S	.	*			trans	-71.3	92.5	177.2	-76.6	-176.4	170.7	175.5	0	109.7	A140 L144 Y156	A140-K142 VanDerWaalsContact C-N 3.26Å; A140-K142 PolarHBondContact O-N 3.24Å; K142-L144 PolarHBondContact O-N 3.31Å; K142-L144 VanDerWaalsContact O-N 3.1Å; K142-Y156 HydrophobicContact CD-CE1 4.2Å; K142-Y156 PolarHBondContact NZ-OH 3.45Å
143	K	44.9	Very low	42.6	Very low	179 Å²	179	109.3 Å²	109.3	78%	0.778	58%	0.583	S	S	*	*			trans	-40.8	112	177	-168.4	171.9	-175.3	174.2	0	110.3	V141 H145	V141-K143 PolarHBondContact O-N 3.38Å; K143-H145 PolarHBondContact O-CD2 3.11Å; K143-H145 PolarHBondContact O-N 2.91Å
144	L	51.3	Low	44.5	Very low	92 Å²	92	107.1 Å²	107.1	48%	0.482	56%	0.562	S	S	.	*			trans	-80.4	108	-169.3	-156.8	71.1	0	0	0	109.4	K142 K146 S153 K155	K142-L144 PolarHBondContact O-N 3.31Å; K142-L144 VanDerWaalsContact O-N 3.1Å; L144-K146 WeakPolarHBondContact O-CG 3.46Å; L144-K146 PolarHBondContact O-N 2.89Å; L144-S153 VanDerWaalsContact CD2-CB 3.4Å; L144-K155 HydrophobicContact CD1-CB 4.47Å
145	H	58.9	Low	45.3	Very low	63 Å²	63	106.5 Å²	106.5	29%	0.292	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.6	108.8	-172.6	-73.1	-94.2	0	0	0	110.5	K143 S153 F154 N157 L160	K143-H145 PolarHBondContact O-CD2 3.11Å; K143-H145 PolarHBondContact O-N 2.91Å; H145-S153 CarbonylContact O-C 3.53Å; H145-S153 WeakPolarHBondContact O-CA 3.3Å; H145-F154 PolarHBondContact N-O 3.32Å; H145-F154 PolarHBondContact O-N 3.49Å; H145-N157 PolarHBondContact ND1-OD1 3.18Å; H145-L160 HydrophobicContact CB-CB 3.93Å; H145-L160 HydrophobicContact CB-CD2 3.78Å; H145-L160 HydrophobicContact CB-CG 4.43Å
146	K	51.4	Low	46.5	Very low	133 Å²	133	104.5 Å²	104.5	58%	0.578	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	149.4	-176.3	-53.3	-158.2	176.5	176.3	0	112.3	L144 K152 S153 L160	L144-K146 WeakPolarHBondContact O-CG 3.46Å; L144-K146 PolarHBondContact O-N 2.89Å; K146-K152 CarbonylContact C-O 3.56Å; K146-K152 WeakPolarHBondContact CA-O 3.36Å; K146-S153 WeakPolarHBondContact CG-OG 3.47Å; K146-L160 WeakPolarHBondContact O-CD1 3Å; K146-L160 WeakPolarHBondContact O-CD2 3.36Å
147	C	56.6	Low	47.4	Very low	0 Å²	0	102 Å²	102	0%	0	53%	0.531	C	S	.	.			trans	-101.4	110.8	172.7	-165.6	0	0	0	0	109.3	E149 C150 G151 K152 F154 L160	C147-E149 VanDerWaalsContact C-N 3.25Å; C147-E149 PolarHBondContact O-N 3.45Å; C147-C150 PolarHBondContact O-N 3.31Å; C147-C150 VanDerWaalsContact O-N 3.15Å; C147-G151 WeakPolarHBondContact O-CA 3.29Å; C147-G151 PolarHBondContact O-N 3.15Å; C147-K152 WeakPolarHBondContact CB-O 3.29Å; C147-K152 PolarHBondContact N-O 2.93Å; C147-F154 HydrophobicContact CB-CE2 4.43Å; C147-L160 HydrophobicContact CB-CD1 3.57Å
148	D	55.8	Low	48.5	Very low	126 Å²	126	98.4 Å²	98.4	67%	0.674	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-30.6	-167.9	-41	-75.7	0	0	0	111.8	C150 K164	D148-C150 PolarHBondContact O-N 2.82Å; D148-K164 WeakPolarHBondContact OD2-CE 3.46Å; D148-K164 IonicContact OD2-NZ 2.89Å; D148-K164 PolarHBondContact OD2-NZ 3.22Å
149	E	52.9	Low	49.6	Very low	110 Å²	110	99.3 Å²	99.3	51%	0.514	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-12.8	178.2	-59.2	166.3	97.6	0	0	114.8	C147 H167	C147-E149 VanDerWaalsContact C-N 3.25Å; C147-E149 PolarHBondContact O-N 3.45Å; E149-H167 WeakPolarHBondContact OE1-CB 3.35Å; E149-H167 IonicContact OE1-CG 3.86Å; E149-H167 IonicContact OE1-ND1 3.34Å; E149-H167 WeakPolarHBondContact OE2-CB 3.46Å; E149-H167 IonicContact OE2-CD2 3.28Å; E149-H167 IonicContact OE2-CG 3.88Å; E149-H167 IonicContact OE2-ND1 2.69Å
150	C	52.1	Low	50.7	Low	44 Å²	44	91.7 Å²	91.7	30%	0.297	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.2	14.6	180	76.4	0	0	0	0	116.8	C147 D148 K152 H163	C147-C150 PolarHBondContact O-N 3.31Å; C147-C150 VanDerWaalsContact O-N 3.15Å; D148-C150 PolarHBondContact O-N 2.82Å; C150-K152 PolarHBondContact O-N 3.2Å; C150-K152 PolarHBondContact SG-NZ 3.18Å; C150-H163 PolarHBondContact SG-NE2 3.3Å
151	G	54.5	Low	52.1	Low	55 Å²	55	91.7 Å²	91.7	57%	0.567	47%	0.465	S	S	*	.			trans	68.2	-9.3	176.4	0	0	0	0	0	116.9	C147 S153	C147-G151 WeakPolarHBondContact O-CA 3.29Å; C147-G151 PolarHBondContact O-N 3.15Å; G151-S153 PolarHBondContact O-OG 3.13Å
152	K	48	Very low	52.7	Low	110 Å²	110	88.8 Å²	88.8	48%	0.478	44%	0.442	S	S	.	.			trans	-69.1	137.6	-173.8	-63.1	-173.1	-163.2	77	0	111.4	K146 C147 C150 F154	K146-K152 CarbonylContact C-O 3.56Å; K146-K152 WeakPolarHBondContact CA-O 3.36Å; C147-K152 WeakPolarHBondContact CB-O 3.29Å; C147-K152 PolarHBondContact N-O 2.93Å; C150-K152 PolarHBondContact O-N 3.2Å; C150-K152 PolarHBondContact SG-NZ 3.18Å; K152-F154 HydrophobicContact CB-CE2 3.68Å; K152-F154 HydrophobicContact CB-CZ 3.9Å; K152-F154 WeakPolarHBondContact O-CE2 3.45Å
153	S	49.2	Very low	53.3	Low	50 Å²	50	84.3 Å²	84.3	35%	0.35	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.1	-167.4	-55	0	0	0	0	111.6	L144 H145 K146 G151	L144-S153 VanDerWaalsContact CD2-CB 3.4Å; H145-S153 CarbonylContact O-C 3.53Å; H145-S153 WeakPolarHBondContact O-CA 3.3Å; K146-S153 WeakPolarHBondContact CG-OG 3.47Å; G151-S153 PolarHBondContact O-OG 3.13Å
154	F	65.1	Low	53.7	Low	45 Å²	45	79.1 Å²	79.1	20%	0.197	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.6	-166.2	-62.1	-91.1	0	0	0	113.2	H145 C147 K152 Y156 R159 L160 H163	H145-F154 PolarHBondContact N-O 3.32Å; H145-F154 PolarHBondContact O-N 3.49Å; C147-F154 HydrophobicContact CB-CE2 4.43Å; K152-F154 HydrophobicContact CB-CE2 3.68Å; K152-F154 HydrophobicContact CB-CZ 3.9Å; K152-F154 WeakPolarHBondContact O-CE2 3.45Å; F154-Y156 PolarHBondContact O-N 3.45Å; F154-R159 HydrophobicContact CB-CB 4.3Å; F154-R159 HydrophobicContact CD1-CB 4.07Å; F154-R159 HydrophobicContact CG-CB 4.47Å; F154-L160 HydrophobicContact CB-CB 4.42Å; F154-L160 HydrophobicContact CD2-CB 4.33Å; F154-L160 HydrophobicContact CD2-CD1 3.96Å; F154-L160 HydrophobicContact CE2-CD1 4.31Å; F154-H163 HydrophobicContact CE1-CB 4.22Å; F154-H163 HydrophobicContact CE2-CB 3.96Å; F154-H163 AromaticContact CE2-CD2 3.23Å; F154-H163 WeakPolarHBondContact CE2-CD2 3.2Å; F154-H163 AromaticContact CE2-CG 3.69Å; F154-H163 AromaticContact CE2-NE2 3.96Å; F154-H163 HydrophobicContact CZ-CB 3.73Å; F154-H163 AromaticContact CZ-CD2 3.27Å; F154-H163 WeakPolarHBondContact CZ-CD2 3.49Å; F154-H163 AromaticContact CZ-CG 3.35Å; F154-H163 AromaticContact CZ-ND1 3.92Å; F154-H163 AromaticContact CZ-NE2 3.76Å
155	K	47.1	Very low	53.9	Low	130 Å²	130	77.2 Å²	77.2	57%	0.565	39%	0.39	S	S	*	.	S	Bend	trans	-67.4	-16.4	-177.1	-169	166.7	-177.7	170.6	0	114.9	L144	L144-K155 HydrophobicContact CD1-CB 4.47Å
156	Y	56	Low	53.4	Low	108 Å²	108	79.3 Å²	79.3	42%	0.424	40%	0.401	S	S	.	.	S	Bend	trans	-147.1	139.3	-178.5	-62.4	-62.1	0	0	0	110.5	K142 F154 S158 R159 L160	K142-Y156 HydrophobicContact CD-CE1 4.2Å; K142-Y156 PolarHBondContact NZ-OH 3.45Å; F154-Y156 PolarHBondContact O-N 3.45Å; Y156-S158 PolarHBondContact O-N 3.39Å; Y156-R159 PolarHBondContact O-N 2.85Å; Y156-L160 PolarHBondContact O-N 3.13Å
157	N	49.8	Very low	53.3	Low	81 Å²	81	76.5 Å²	76.5	43%	0.433	39%	0.39	S	S	.	.	H	α-helix	trans	-59.3	-34.4	-177.9	-157	21.5	0	0	0	112.9	H145 R159 L160 V161	H145-N157 PolarHBondContact ND1-OD1 3.18Å; N157-R159 PolarHBondContact O-N 3.29Å; N157-L160 CarbonylContact O-C 3.58Å; N157-L160 WeakPolarHBondContact O-CA 3.15Å; N157-L160 WeakPolarHBondContact O-CB 3.19Å; N157-L160 PolarHBondContact O-N 3.33Å; N157-V161 WeakPolarHBondContact O-CG2 3.32Å; N157-V161 PolarHBondContact O-N 3.45Å
158	S	53.3	Low	53.1	Low	89 Å²	89	81 Å²	81	62%	0.622	42%	0.417	S	S	*	.	H	α-helix	trans	-57	-32.7	174.9	53.5	0	0	0	0	113.5	Y156 Q162	Y156-S158 PolarHBondContact O-N 3.39Å; S158-Q162 WeakPolarHBondContact O-CB 3.48Å; S158-Q162 PolarHBondContact O-N 2.75Å; S158-Q162 VanDerWaalsContact O-N 3.1Å
159	R	53.4	Low	52.8	Low	160 Å²	160	77.5 Å²	77.5	60%	0.604	41%	0.411	S	S	*	.	H	α-helix	trans	-80.9	-28.5	172.7	-72.6	-170.6	178.8	-179.2	0.7	113.2	F154 Y156 N157 H163	F154-R159 HydrophobicContact CB-CB 4.3Å; F154-R159 HydrophobicContact CD1-CB 4.07Å; F154-R159 HydrophobicContact CG-CB 4.47Å; Y156-R159 PolarHBondContact O-N 2.85Å; N157-R159 PolarHBondContact O-N 3.29Å; R159-H163 VanDerWaalsContact O-CB 3.26Å; R159-H163 WeakPolarHBondContact O-CB 3.4Å; R159-H163 PolarHBondContact O-N 2.91Å
160	L	53.6	Low	52.6	Low	13 Å²	13	78.2 Å²	78.2	7%	0.068	42%	0.415	C	S	.	.	H	α-helix	trans	-67	-45.5	169.4	176.1	63.4	0	0	0	110.7	H145 K146 C147 F154 Y156 N157 H163 K164	H145-L160 HydrophobicContact CB-CB 3.93Å; H145-L160 HydrophobicContact CB-CD2 3.78Å; H145-L160 HydrophobicContact CB-CG 4.43Å; K146-L160 WeakPolarHBondContact O-CD1 3Å; K146-L160 WeakPolarHBondContact O-CD2 3.36Å; C147-L160 HydrophobicContact CB-CD1 3.57Å; F154-L160 HydrophobicContact CB-CB 4.42Å; F154-L160 HydrophobicContact CD2-CB 4.33Å; F154-L160 HydrophobicContact CD2-CD1 3.96Å; F154-L160 HydrophobicContact CE2-CD1 4.31Å; Y156-L160 PolarHBondContact O-N 3.13Å; N157-L160 CarbonylContact O-C 3.58Å; N157-L160 WeakPolarHBondContact O-CA 3.15Å; N157-L160 WeakPolarHBondContact O-CB 3.19Å; N157-L160 PolarHBondContact O-N 3.33Å; L160-H163 CarbonylContact O-C 3.58Å; L160-H163 WeakPolarHBondContact O-CA 3.47Å; L160-H163 WeakPolarHBondContact O-CB 3.27Å; L160-H163 PolarHBondContact O-N 2.82Å; L160-K164 HydrophobicContact CD1-CG 4.11Å; L160-K164 HydrophobicContact CG-CG 4.4Å; L160-K164 PolarHBondContact O-N 2.6Å
161	V	58	Low	52.5	Low	77 Å²	77	82.3 Å²	82.3	47%	0.467	43%	0.427	S	S	.	.	H	α-helix	trans	-60.6	-47.5	176.8	173.9	0	0	0	0	110.6	N157 H163 K164 I165	N157-V161 WeakPolarHBondContact O-CG2 3.32Å; N157-V161 PolarHBondContact O-N 3.45Å; V161-H163 PolarHBondContact O-N 3.39Å; V161-H163 VanDerWaalsContact O-N 3.16Å; V161-K164 PolarHBondContact O-N 3.16Å; V161-I165 HydrophobicContact CG1-CD1 4.29Å; V161-I165 WeakPolarHBondContact O-CG1 3.29Å; V161-I165 PolarHBondContact O-N 3.18Å; V161-I165 VanDerWaalsContact O-N 3.1Å
162	Q	53.8	Low	52.6	Low	86 Å²	86	88.9 Å²	88.9	40%	0.402	44%	0.435	S	S	.	.	H	α-helix	trans	-62.3	-21.4	173.7	-163.1	178.6	41.3	0	0	113.2	S158 R183	S158-Q162 WeakPolarHBondContact O-CB 3.48Å; S158-Q162 PolarHBondContact O-N 2.75Å; S158-Q162 VanDerWaalsContact O-N 3.1Å; Q162-R183 PolarHBondContact NE2-O 3.36Å
163	H	54.6	Low	52.9	Low	20 Å²	20	88.5 Å²	88.5	9%	0.093	43%	0.432	C	S	.	.	H	α-helix	trans	-85.7	-41.2	174.8	-173.3	52.4	0	0	0	113.4	C150 F154 R159 L160 V161 I165 M166	C150-H163 PolarHBondContact SG-NE2 3.3Å; F154-H163 HydrophobicContact CE1-CB 4.22Å; F154-H163 HydrophobicContact CE2-CB 3.96Å; F154-H163 AromaticContact CE2-CD2 3.23Å; F154-H163 WeakPolarHBondContact CE2-CD2 3.2Å; F154-H163 AromaticContact CE2-CG 3.69Å; F154-H163 AromaticContact CE2-NE2 3.96Å; F154-H163 HydrophobicContact CZ-CB 3.73Å; F154-H163 AromaticContact CZ-CD2 3.27Å; F154-H163 WeakPolarHBondContact CZ-CD2 3.49Å; F154-H163 AromaticContact CZ-CG 3.35Å; F154-H163 AromaticContact CZ-ND1 3.92Å; F154-H163 AromaticContact CZ-NE2 3.76Å; R159-H163 VanDerWaalsContact O-CB 3.26Å; R159-H163 WeakPolarHBondContact O-CB 3.4Å; R159-H163 PolarHBondContact O-N 2.91Å; L160-H163 CarbonylContact O-C 3.58Å; L160-H163 WeakPolarHBondContact O-CA 3.47Å; L160-H163 WeakPolarHBondContact O-CB 3.27Å; L160-H163 PolarHBondContact O-N 2.82Å; V161-H163 PolarHBondContact O-N 3.39Å; V161-H163 VanDerWaalsContact O-N 3.16Å; H163-I165 PolarHBondContact O-N 2.84Å; H163-M166 WeakPolarHBondContact O-CA 3.18Å; H163-M166 VanDerWaalsContact O-CB 3.24Å; H163-M166 WeakPolarHBondContact O-CB 3.19Å; H163-M166 PolarHBondContact O-N 2.91Å
164	K	52.1	Low	52.9	Low	70 Å²	70	91.1 Å²	91.1	30%	0.304	44%	0.438	S	S	.	.	H	α-helix	trans	-62.9	-30.1	174	-73.3	-165	171.1	-164	0	112	D148 L160 V161 M166 H167 T168	D148-K164 WeakPolarHBondContact OD2-CE 3.46Å; D148-K164 IonicContact OD2-NZ 2.89Å; D148-K164 PolarHBondContact OD2-NZ 3.22Å; L160-K164 HydrophobicContact CD1-CG 4.11Å; L160-K164 HydrophobicContact CG-CG 4.4Å; L160-K164 PolarHBondContact O-N 2.6Å; V161-K164 PolarHBondContact O-N 3.16Å; K164-M166 PolarHBondContact O-N 2.77Å; K164-M166 VanDerWaalsContact O-N 3.14Å; K164-H167 WeakPolarHBondContact O-CA 3.32Å; K164-H167 WeakPolarHBondContact O-CB 3.29Å; K164-H167 PolarHBondContact O-N 2.67Å; K164-T168 PolarHBondContact O-N 3.26Å
165	I	56.4	Low	52.2	Low	52 Å²	52	89 Å²	89	27%	0.267	43%	0.429	S	S	.	.	H	α-helix	trans	-59.6	-20.2	168.1	-70.2	167.4	0	0	0	112.8	V161 H163 H167 G169 E170	V161-I165 HydrophobicContact CG1-CD1 4.29Å; V161-I165 WeakPolarHBondContact O-CG1 3.29Å; V161-I165 PolarHBondContact O-N 3.18Å; V161-I165 VanDerWaalsContact O-N 3.1Å; H163-I165 PolarHBondContact O-N 2.84Å; I165-H167 VanDerWaalsContact C-N 3.32Å; I165-G169 PolarHBondContact O-N 2.83Å; I165-G169 VanDerWaalsContact O-N 3.13Å; I165-E170 WeakPolarHBondContact CG2-O 3.34Å
166	M	48.5	Very low	52.5	Low	106 Å²	106	89.3 Å²	89.3	52%	0.522	44%	0.437	S	S	.	.	H	α-helix	trans	-78.4	-14.3	170.9	-55.1	-136.7	-46.7	0	0	114.2	H163 K164	H163-M166 WeakPolarHBondContact O-CA 3.18Å; H163-M166 VanDerWaalsContact O-CB 3.24Å; H163-M166 WeakPolarHBondContact O-CB 3.19Å; H163-M166 PolarHBondContact O-N 2.91Å; K164-M166 PolarHBondContact O-N 2.77Å; K164-M166 VanDerWaalsContact O-N 3.14Å
167	H	48.2	Very low	52.3	Low	75 Å²	75	88.9 Å²	88.9	35%	0.347	44%	0.442	S	S	.	.	H	α-helix	trans	-92.1	-43.9	175.8	-74.7	-101.4	0	0	0	111.2	E149 K164 I165	E149-H167 WeakPolarHBondContact OE1-CB 3.35Å; E149-H167 IonicContact OE1-CG 3.86Å; E149-H167 IonicContact OE1-ND1 3.34Å; E149-H167 WeakPolarHBondContact OE2-CB 3.46Å; E149-H167 IonicContact OE2-CD2 3.28Å; E149-H167 IonicContact OE2-CG 3.88Å; E149-H167 IonicContact OE2-ND1 2.69Å; K164-H167 WeakPolarHBondContact O-CA 3.32Å; K164-H167 WeakPolarHBondContact O-CB 3.29Å; K164-H167 PolarHBondContact O-N 2.67Å; I165-H167 VanDerWaalsContact C-N 3.32Å
168	T	53.6	Low	52.1	Low	93 Å²	93	88.3 Å²	88.3	57%	0.571	44%	0.443	S	S	*	.	H	α-helix	trans	-77.7	-19	176.8	60.2	0	0	0	0	114.1	K164 E170	K164-T168 PolarHBondContact O-N 3.26Å; T168-E170 PolarHBondContact O-N 2.98Å
169	G	48.8	Very low	51.9	Low	53 Å²	53	86.6 Å²	86.6	55%	0.546	44%	0.44	S	S	.	.			trans	76.8	-2.4	175.1	0	0	0	0	0	115.7	I165 K171	I165-G169 PolarHBondContact O-N 2.83Å; I165-G169 VanDerWaalsContact O-N 3.13Å; G169-K171 PolarHBondContact O-N 3.26Å
170	E	48.8	Very low	51.5	Low	125 Å²	125	79.7 Å²	79.7	58%	0.584	42%	0.419	S	S	*	.			trans	-60	134.9	-177.4	-69.7	-167.5	137.9	0	0	113.1	I165 T168	I165-E170 WeakPolarHBondContact CG2-O 3.34Å; T168-E170 PolarHBondContact O-N 2.98Å
171	K	49.8	Very low	51.3	Low	130 Å²	130	81.4 Å²	81.4	57%	0.565	43%	0.43	S	S	*	.			trans	-107.5	123.6	178.3	-68.6	151	153.4	-153.2	0	107.9	G169 T181	G169-K171 PolarHBondContact O-N 3.26Å; K171-T181 HydrophobicContact CB-CG2 4.35Å; K171-T181 HydrophobicContact CD-CG2 3.86Å; K171-T181 VanDerWaalsContact CE-OG1 3.24Å; K171-T181 WeakPolarHBondContact CE-OG1 3.44Å; K171-T181 HydrophobicContact CG-CG2 4.25Å
172	R	55.9	Low	51.2	Low	194 Å²	194	80.1 Å²	80.1	73%	0.732	42%	0.418	S	S	*	.			trans	-119.3	-0.9	-170.2	-121.3	-176.9	-164.4	-165.8	4.5	116.1
173	Y	56	Low	51.1	Low	102 Å²	102	84 Å²	84	40%	0.4	43%	0.429	S	S	.	.			trans	-144.3	103.9	177.2	-62.5	-75.3	0	0	0	108.1	F182	Y173-F182 PolarHBondContact O-N 2.96Å
174	E	47.6	Very low	51	Low	104 Å²	104	84.2 Å²	84.2	49%	0.486	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	159.6	-178.8	-50.6	-151.5	138.1	0	0	110.3	G180 T181 L188	E174-G180 CarbonylContact C-O 3.55Å; E174-G180 WeakPolarHBondContact CA-O 3.49Å; E174-T181 HydrophobicContact CG-CG2 4Å; E174-T181 WeakPolarHBondContact OE1-CG2 3.42Å; E174-L188 VanDerWaalsContact O-CD2 3.29Å; E174-L188 WeakPolarHBondContact O-CD2 3.47Å
175	C	51.8	Low	50.9	Low	0 Å²	0	84 Å²	84	0%	0	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	107	179.6	-165.7	0	0	0	0	108.7	D177 C178 G179 G180 F182 L188 H191 K192	C175-D177 PolarHBondContact O-N 3.23Å; C175-D177 VanDerWaalsContact O-N 3.11Å; C175-D177 PolarHBondContact SG-OD2 3.14Å; C175-C178 PolarHBondContact O-N 3.4Å; C175-G179 WeakPolarHBondContact O-CA 3.16Å; C175-G179 PolarHBondContact O-N 2.92Å; C175-G180 WeakPolarHBondContact CB-O 3.32Å; C175-G180 PolarHBondContact N-O 3.08Å; C175-F182 HydrophobicContact CB-CE2 4.29Å; C175-L188 HydrophobicContact CB-CD1 3.56Å; C175-H191 PolarHBondContact SG-CD2 3.25Å; C175-K192 VanDerWaalsContact SG-CG 3.52Å
176	D	52.4	Low	50.8	Low	137 Å²	137	84.6 Å²	84.6	73%	0.733	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-36.3	-172.3	-36.3	-82.3	0	0	0	111.9	C178 K192	D176-C178 VanDerWaalsContact C-N 3.31Å; D176-C178 PolarHBondContact O-N 3.36Å; D176-K192 VanDerWaalsContact OD2-CE 3.32Å; D176-K192 WeakPolarHBondContact OD2-CE 3.4Å; D176-K192 IonicContact OD2-NZ 3.68Å; D176-K192 PolarHBondContact OD2-NZ 2.83Å
177	D	51.1	Low	51.2	Low	99 Å²	99	82.3 Å²	82.3	53%	0.529	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-16.2	-178.4	-41.2	-85.3	0	0	0	114.7	C175 K192 H195	C175-D177 PolarHBondContact O-N 3.23Å; C175-D177 VanDerWaalsContact O-N 3.11Å; C175-D177 PolarHBondContact SG-OD2 3.14Å; D177-K192 IonicContact OD2-NZ 3.24Å; D177-K192 PolarHBondContact OD2-NZ 3.34Å; D177-H195 HydrophobicContact CB-CB 4.37Å; D177-H195 IonicContact OD2-CD2 2.67Å
178	C	45.5	Very low	51.7	Low	69 Å²	69	79.9 Å²	79.9	47%	0.466	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.4	9.5	-175.9	80.8	0	0	0	0	117.1	C175 D176 G180 H191 H195	C175-C178 PolarHBondContact O-N 3.4Å; D176-C178 VanDerWaalsContact C-N 3.31Å; D176-C178 PolarHBondContact O-N 3.36Å; C178-G180 PolarHBondContact O-N 3.13Å; C178-G180 PolarHBondContact SG-N 3.4Å; C178-H191 PolarHBondContact SG-NE2 3.42Å; C178-H195 PolarHBondContact SG-NE2 3.24Å; C178-H195 VanDerWaalsContact SG-NE2 3.4Å
179	G	49.5	Very low	51.9	Low	54 Å²	54	83.6 Å²	83.6	56%	0.557	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	18.7	-173.8	0	0	0	0	0	114.4	C175 T181	C175-G179 WeakPolarHBondContact O-CA 3.16Å; C175-G179 PolarHBondContact O-N 2.92Å; G179-T181 WeakPolarHBondContact O-CG2 3.43Å; G179-T181 PolarHBondContact O-N 3.32Å
180	G	46.2	Very low	52.4	Low	15 Å²	15	83.7 Å²	83.7	16%	0.155	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	120	-175.5	0	0	0	0	0	112	E174 C175 C178 F182	E174-G180 CarbonylContact C-O 3.55Å; E174-G180 WeakPolarHBondContact CA-O 3.49Å; C175-G180 WeakPolarHBondContact CB-O 3.32Å; C175-G180 PolarHBondContact N-O 3.08Å; C178-G180 PolarHBondContact O-N 3.13Å; C178-G180 PolarHBondContact SG-N 3.4Å; G180-F182 WeakPolarHBondContact O-CD2 3.36Å; G180-F182 WeakPolarHBondContact O-CE2 3.15Å
181	T	48.2	Very low	53	Low	48 Å²	48	79.2 Å²	79.2	29%	0.294	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.4	-170.5	68.4	0	0	0	0	113	K171 E174 G179	K171-T181 HydrophobicContact CB-CG2 4.35Å; K171-T181 HydrophobicContact CD-CG2 3.86Å; K171-T181 VanDerWaalsContact CE-OG1 3.24Å; K171-T181 WeakPolarHBondContact CE-OG1 3.44Å; K171-T181 HydrophobicContact CG-CG2 4.25Å; E174-T181 HydrophobicContact CG-CG2 4Å; E174-T181 WeakPolarHBondContact OE1-CG2 3.42Å; G179-T181 WeakPolarHBondContact O-CG2 3.43Å; G179-T181 PolarHBondContact O-N 3.32Å
182	F	57.3	Low	53.3	Low	51 Å²	51	76 Å²	76	22%	0.224	39%	0.391	C	S	.	.			trans	-120.8	151.3	-167.8	-65.3	-84.7	0	0	0	114.3	Y173 C175 G180 L188 H191	Y173-F182 PolarHBondContact O-N 2.96Å; C175-F182 HydrophobicContact CB-CE2 4.29Å; G180-F182 WeakPolarHBondContact O-CD2 3.36Å; G180-F182 WeakPolarHBondContact O-CE2 3.15Å; F182-L188 HydrophobicContact CB-CB 4.2Å; F182-L188 HydrophobicContact CD2-CB 4.2Å; F182-L188 HydrophobicContact CD2-CD1 3.8Å; F182-L188 HydrophobicContact CE2-CD1 4.19Å; F182-L188 HydrophobicContact CG-CB 4.3Å; F182-H191 HydrophobicContact CE1-CB 3.89Å; F182-H191 AromaticContact CE1-CG 3.98Å; F182-H191 HydrophobicContact CE2-CB 3.98Å; F182-H191 AromaticContact CE2-CD2 3.13Å; F182-H191 WeakPolarHBondContact CE2-CD2 3.4Å; F182-H191 AromaticContact CE2-CG 3.53Å; F182-H191 AromaticContact CE2-NE2 3.65Å; F182-H191 HydrophobicContact CZ-CB 3.56Å; F182-H191 AromaticContact CZ-CD2 3.28Å; F182-H191 WeakPolarHBondContact CZ-CD2 3.19Å; F182-H191 AromaticContact CZ-CE1 3.88Å; F182-H191 AromaticContact CZ-CG 3.17Å; F182-H191 AromaticContact CZ-ND1 3.58Å; F182-H191 AromaticContact CZ-NE2 3.71Å
183	R	50.1	Low	53.7	Low	168 Å²	168	68.9 Å²	68.9	63%	0.634	36%	0.364	S	S	*	.	S	Bend	trans	-90.4	2.7	-178.9	-61.6	-173	179.4	96.7	-0.7	114.5	Q162	Q162-R183 PolarHBondContact NE2-O 3.36Å
184	S	53.2	Low	53.7	Low	23 Å²	23	69.3 Å²	69.3	16%	0.161	37%	0.372	C	S	.	.	S	Bend	trans	-159.7	149.8	166.3	74.8	0	0	0	0	111.4	S186 S187 L188	S184-S186 PolarHBondContact O-N 2.88Å; S184-S186 PolarHBondContact OG-OG 3.47Å; S184-S187 WeakPolarHBondContact O-CB 3.46Å; S184-S187 PolarHBondContact O-N 3.03Å; S184-S187 PolarHBondContact OG-N 3.37Å; S184-S187 VanDerWaalsContact OG-N 3.15Å; S184-S187 PolarHBondContact OG-OG 3.1Å; S184-L188 PolarHBondContact O-N 3.38Å
185	S	49.2	Very low	53.8	Low	66 Å²	66	68.1 Å²	68.1	46%	0.462	37%	0.366	S	S	.	.	H	α-helix	trans	-56.7	-35.2	172.1	54.3	0	0	0	0	112.8	S187 L188 R189	S185-S187 VanDerWaalsContact C-N 3.3Å; S185-S187 PolarHBondContact O-N 2.95Å; S185-L188 PolarHBondContact O-N 3.3Å; S185-R189 WeakPolarHBondContact O-CB 3.32Å; S185-R189 PolarHBondContact O-N 3.04Å
186	S	56.1	Low	54	Low	65 Å²	65	72.3 Å²	72.3	46%	0.455	39%	0.392	S	S	.	.	H	α-helix	trans	-65.4	-29.4	174.5	36.6	0	0	0	0	113.6	S184 V190	S184-S186 PolarHBondContact O-N 2.88Å; S184-S186 PolarHBondContact OG-OG 3.47Å; S186-V190 PolarHBondContact O-N 3.31Å
187	S	55.5	Low	54	Low	57 Å²	57	67.9 Å²	67.9	40%	0.399	38%	0.379	S	S	.	.	H	α-helix	trans	-78.1	-42.8	172.8	-60.9	0	0	0	0	111.4	S184 S185 R189 V190 H191	S184-S187 WeakPolarHBondContact O-CB 3.46Å; S184-S187 PolarHBondContact O-N 3.03Å; S184-S187 PolarHBondContact OG-N 3.37Å; S184-S187 VanDerWaalsContact OG-N 3.15Å; S184-S187 PolarHBondContact OG-OG 3.1Å; S185-S187 VanDerWaalsContact C-N 3.3Å; S185-S187 PolarHBondContact O-N 2.95Å; S187-R189 VanDerWaalsContact C-N 3.3Å; S187-R189 PolarHBondContact O-N 3.07Å; S187-V190 PolarHBondContact O-N 2.84Å; S187-H191 PolarHBondContact O-N 3.06Å
188	L	59.3	Low	54.3	Low	24 Å²	24	68 Å²	68	13%	0.126	38%	0.376	C	S	.	.	H	α-helix	trans	-57.4	-42.5	172.5	175.4	60.4	0	0	0	111.4	E174 C175 F182 S184 S185 V190 H191 K192	E174-L188 VanDerWaalsContact O-CD2 3.29Å; E174-L188 WeakPolarHBondContact O-CD2 3.47Å; C175-L188 HydrophobicContact CB-CD1 3.56Å; F182-L188 HydrophobicContact CB-CB 4.2Å; F182-L188 HydrophobicContact CD2-CB 4.2Å; F182-L188 HydrophobicContact CD2-CD1 3.8Å; F182-L188 HydrophobicContact CE2-CD1 4.19Å; F182-L188 HydrophobicContact CG-CB 4.3Å; S184-L188 PolarHBondContact O-N 3.38Å; S185-L188 PolarHBondContact O-N 3.3Å; L188-V190 PolarHBondContact O-N 3.37Å; L188-H191 CarbonylContact O-C 3.03Å; L188-H191 WeakPolarHBondContact O-CA 3.36Å; L188-H191 WeakPolarHBondContact O-CB 3.44Å; L188-H191 PolarHBondContact O-N 2.81Å; L188-K192 HydrophobicContact CD1-CD 4.49Å; L188-K192 HydrophobicContact CD1-CG 4.16Å; L188-K192 PolarHBondContact O-N 3Å
189	R	58.8	Low	55.1	Low	171 Å²	171	70.4 Å²	70.4	65%	0.645	38%	0.379	S	S	*	.	H	α-helix	trans	-63.4	-35.2	178.1	-172.5	172.6	67.4	-174.5	2.7	113.5	S185 S187	S185-R189 WeakPolarHBondContact O-CB 3.32Å; S185-R189 PolarHBondContact O-N 3.04Å; S187-R189 VanDerWaalsContact C-N 3.3Å; S187-R189 PolarHBondContact O-N 3.07Å
190	V	59	Low	55.8	Low	55 Å²	55	71.1 Å²	71.1	33%	0.333	37%	0.373	S	S	.	.	H	α-helix	trans	-74.7	-29.8	173	175.5	0	0	0	0	111.1	S186 S187 L188	S186-V190 PolarHBondContact O-N 3.31Å; S187-V190 PolarHBondContact O-N 2.84Å; L188-V190 PolarHBondContact O-N 3.37Å
191	H	59.7	Low	56.7	Low	31 Å²	31	74 Å²	74	14%	0.144	38%	0.38	C	S	.	.	H	α-helix	trans	-74.9	-41.4	176.4	171.6	68.5	0	0	0	113.8	C175 C178 F182 S187 L188 R193 I194 H195	C175-H191 PolarHBondContact SG-CD2 3.25Å; C178-H191 PolarHBondContact SG-NE2 3.42Å; F182-H191 HydrophobicContact CE1-CB 3.89Å; F182-H191 AromaticContact CE1-CG 3.98Å; F182-H191 HydrophobicContact CE2-CB 3.98Å; F182-H191 AromaticContact CE2-CD2 3.13Å; F182-H191 WeakPolarHBondContact CE2-CD2 3.4Å; F182-H191 AromaticContact CE2-CG 3.53Å; F182-H191 AromaticContact CE2-NE2 3.65Å; F182-H191 HydrophobicContact CZ-CB 3.56Å; F182-H191 AromaticContact CZ-CD2 3.28Å; F182-H191 WeakPolarHBondContact CZ-CD2 3.19Å; F182-H191 AromaticContact CZ-CE1 3.88Å; F182-H191 AromaticContact CZ-CG 3.17Å; F182-H191 AromaticContact CZ-ND1 3.58Å; F182-H191 AromaticContact CZ-NE2 3.71Å; S187-H191 PolarHBondContact O-N 3.06Å; L188-H191 CarbonylContact O-C 3.03Å; L188-H191 WeakPolarHBondContact O-CA 3.36Å; L188-H191 WeakPolarHBondContact O-CB 3.44Å; L188-H191 PolarHBondContact O-N 2.81Å; H191-R193 PolarHBondContact O-N 2.84Å; H191-R193 VanDerWaalsContact O-N 3.15Å; H191-I194 WeakPolarHBondContact O-CB 3.18Å; H191-I194 WeakPolarHBondContact O-CG1 3.22Å; H191-I194 PolarHBondContact O-N 3.19Å; H191-H195 AromaticContact CE1-NE2 3.67Å; H191-H195 AromaticContact NE2-NE2 3.31Å; H191-H195 PolarHBondContact NE2-NE2 3.5Å
192	K	56.5	Low	57.1	Low	63 Å²	63	74.4 Å²	74.4	27%	0.274	39%	0.388	S	S	.	.	H	α-helix	trans	-58.7	-27.8	177.5	-85.5	-173.5	172.5	-88.1	0	112.9	C175 D176 D177 L188 I194 H195 T196	C175-K192 VanDerWaalsContact SG-CG 3.52Å; D176-K192 VanDerWaalsContact OD2-CE 3.32Å; D176-K192 WeakPolarHBondContact OD2-CE 3.4Å; D176-K192 IonicContact OD2-NZ 3.68Å; D176-K192 PolarHBondContact OD2-NZ 2.83Å; D177-K192 IonicContact OD2-NZ 3.24Å; D177-K192 PolarHBondContact OD2-NZ 3.34Å; L188-K192 HydrophobicContact CD1-CD 4.49Å; L188-K192 HydrophobicContact CD1-CG 4.16Å; L188-K192 PolarHBondContact O-N 3Å; K192-I194 PolarHBondContact O-N 3.26Å; K192-H195 WeakPolarHBondContact O-CB 3.27Å; K192-H195 PolarHBondContact O-N 3.28Å; K192-T196 PolarHBondContact O-N 2.66Å; K192-T196 VanDerWaalsContact O-N 3.07Å
193	R	65.8	Low	57.3	Low	45 Å²	45	72 Å²	72	17%	0.17	38%	0.378	C	S	.	.	H	α-helix	trans	-63	-17.9	170.6	-65.7	-178	171.4	161	-0.4	114.7	H191 H195 G197 E198 M211	H191-R193 PolarHBondContact O-N 2.84Å; H191-R193 VanDerWaalsContact O-N 3.15Å; R193-H195 VanDerWaalsContact C-N 3.3Å; R193-G197 CarbonylContact O-C 3.53Å; R193-G197 WeakPolarHBondContact O-CA 3.49Å; R193-G197 PolarHBondContact O-N 3.31Å; R193-E198 HydrophobicContact CB-CB 4.26Å; R193-E198 HydrophobicContact CG-CB 4.08Å; R193-E198 IonicContact NE-OE2 3.53Å; R193-E198 PolarHBondContact O-N 3.47Å; R193-M211 HydrophobicContact CB-CE 3.66Å; R193-M211 PolarHBondContact NH1-O 3.27Å; R193-M211 WeakPolarHBondContact O-CE 3.48Å
194	I	54.2	Low	57.6	Low	110 Å²	110	71.7 Å²	71.7	56%	0.564	38%	0.383	S	S	*	.	H	α-helix	trans	-71.2	-31.4	172.4	-56.8	178.4	0	0	0	110.1	H191 K192	H191-I194 WeakPolarHBondContact O-CB 3.18Å; H191-I194 WeakPolarHBondContact O-CG1 3.22Å; H191-I194 PolarHBondContact O-N 3.19Å; K192-I194 PolarHBondContact O-N 3.26Å
195	H	50.2	Low	57.7	Low	80 Å²	80	76 Å²	76	37%	0.37	40%	0.401	S	S	.	.	H	α-helix	trans	-84	-42.4	176.7	-54.6	-50.9	0	0	0	111.9	D177 C178 H191 K192 R193 G197	D177-H195 HydrophobicContact CB-CB 4.37Å; D177-H195 IonicContact OD2-CD2 2.67Å; C178-H195 PolarHBondContact SG-NE2 3.24Å; C178-H195 VanDerWaalsContact SG-NE2 3.4Å; H191-H195 AromaticContact CE1-NE2 3.67Å; H191-H195 AromaticContact NE2-NE2 3.31Å; H191-H195 PolarHBondContact NE2-NE2 3.5Å; K192-H195 WeakPolarHBondContact O-CB 3.27Å; K192-H195 PolarHBondContact O-N 3.28Å; R193-H195 VanDerWaalsContact C-N 3.3Å; H195-G197 VanDerWaalsContact C-N 3.27Å; H195-G197 PolarHBondContact O-N 3.13Å
196	T	55.7	Low	58	Low	88 Å²	88	75 Å²	75	54%	0.54	39%	0.394	S	S	.	.	H	α-helix	trans	-77.7	-9.1	176.5	67.2	0	0	0	0	114.1	K192 E198	K192-T196 PolarHBondContact O-N 2.66Å; K192-T196 VanDerWaalsContact O-N 3.07Å; T196-E198 PolarHBondContact O-N 3.44Å; T196-E198 VanDerWaalsContact O-N 3.1Å; T196-E198 WeakPolarHBondContact OG1-CG 3.38Å; T196-E198 PolarHBondContact OG1-OE1 3.01Å
197	G	54.1	Low	58	Low	44 Å²	44	74.9 Å²	74.9	45%	0.454	40%	0.402	S	S	.	.			trans	71.7	-5.8	-178.6	0	0	0	0	0	115.5	R193 H195 K199	R193-G197 CarbonylContact O-C 3.53Å; R193-G197 WeakPolarHBondContact O-CA 3.49Å; R193-G197 PolarHBondContact O-N 3.31Å; H195-G197 VanDerWaalsContact C-N 3.27Å; H195-G197 PolarHBondContact O-N 3.13Å; G197-K199 PolarHBondContact O-N 3.24Å
198	E	56.6	Low	58.1	Low	100 Å²	100	77.2 Å²	77.2	47%	0.467	41%	0.406	S	S	.	.			trans	-52.6	121.6	-178.2	-79.4	173.2	-147.8	0	0	113.2	R193 T196 P200 M211	R193-E198 HydrophobicContact CB-CB 4.26Å; R193-E198 HydrophobicContact CG-CB 4.08Å; R193-E198 IonicContact NE-OE2 3.53Å; R193-E198 PolarHBondContact O-N 3.47Å; T196-E198 PolarHBondContact O-N 3.44Å; T196-E198 VanDerWaalsContact O-N 3.1Å; T196-E198 WeakPolarHBondContact OG1-CG 3.38Å; T196-E198 PolarHBondContact OG1-OE1 3.01Å; E198-P200 HydrophobicContact CB-CG 4.48Å; E198-P200 WeakPolarHBondContact O-CD 3.47Å; E198-M211 WeakPolarHBondContact O-CE 3.26Å
199	K	61.8	Low	58.2	Low	121 Å²	121	77.9 Å²	77.9	53%	0.526	41%	0.414	S	S	.	.			trans	-122	76.6	174	-71.5	156.8	-177.9	167.9	0	110.4	G197 Y201 A209 Y210 M211	G197-K199 PolarHBondContact O-N 3.24Å; K199-Y201 PolarHBondContact O-N 2.87Å; K199-Y201 VanDerWaalsContact O-N 3.1Å; K199-A209 HydrophobicContact CB-CB 3.5Å; K199-A209 HydrophobicContact CD-CB 4.28Å; K199-A209 HydrophobicContact CG-CB 4.4Å; K199-Y210 CarbonylContact C-O 3.58Å; K199-M211 HydrophobicContact CD-SD 4.47Å; K199-M211 HydrophobicContact CG-CE 4.21Å; K199-M211 HydrophobicContact CG-SD 3.53Å; K199-M211 VanDerWaalsContact CG-SD 3.53Å
200	P	64.8	Low	58.6	Low	69 Å²	69	72.4 Å²	72.4	45%	0.448	39%	0.394	S	S	.	.			trans	-71.8	-7.6	-169.3	-19	34.3	0	0	0	114.8	E198	E198-P200 HydrophobicContact CB-CG 4.48Å; E198-P200 WeakPolarHBondContact O-CD 3.47Å
201	Y	64.4	Low	58.2	Low	75 Å²	75	72 Å²	72	29%	0.294	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	83.6	-174.5	-53.9	-70.5	0	0	0	110	K199 A209 Y210 Y213	K199-Y201 PolarHBondContact O-N 2.87Å; K199-Y201 VanDerWaalsContact O-N 3.1Å; Y201-A209 WeakPolarHBondContact O-CA 3.37Å; Y201-Y210 WeakPolarHBondContact CD2-O 3.03Å; Y201-Y210 PolarHBondContact N-O 3.24Å; Y201-Y210 PolarHBondContact O-N 2.84Å; Y201-Y213 HydrophobicContact CD1-CD2 4.12Å; Y201-Y213 VanDerWaalsContact CD2-N 3.33Å; Y201-Y213 HydrophobicContact CE1-CD2 4.37Å
202	A	56.3	Low	58.2	Low	56 Å²	56	71.6 Å²	71.6	46%	0.463	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	150.3	174.6	0	0	0	0	0	112.2	K208 A209 L216	A202-K208 CarbonylContact C-O 3.35Å; A202-A209 HydrophobicContact CB-CB 4.34Å; A202-L216 WeakPolarHBondContact O-CD1 3.47Å; A202-L216 WeakPolarHBondContact O-CD2 3.42Å
203	C	61.1	Low	58.1	Low	1 Å²	1	75.6 Å²	75.6	1%	0.007	40%	0.404	C	S	.	.			trans	-100	113	168.6	178.4	0	0	0	0	109.1	E205 C206 G207 K208 L216	C203-E205 VanDerWaalsContact C-N 3.27Å; C203-E205 PolarHBondContact O-N 2.99Å; C203-C206 PolarHBondContact O-N 3.35Å; C203-G207 WeakPolarHBondContact O-CA 3.43Å; C203-G207 PolarHBondContact O-N 3.33Å; C203-K208 WeakPolarHBondContact CB-O 3.42Å; C203-K208 PolarHBondContact N-O 2.82Å; C203-L216 HydrophobicContact CB-CD1 3.61Å
204	E	57.7	Low	57.7	Low	161 Å²	161	76.9 Å²	76.9	75%	0.752	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-32.6	-176.9	-63.9	122.9	152.7	0	0	113	C206 K220	E204-C206 VanDerWaalsContact C-N 3.31Å; E204-C206 PolarHBondContact O-N 3.25Å; E204-K220 IonicContact OE2-NZ 3.99Å; E204-K220 PolarHBondContact OE2-NZ 3.21Å
205	E	54.8	Low	57.9	Low	115 Å²	115	74 Å²	74	54%	0.537	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-21.8	-179.9	-68.2	171.3	101.5	0	0	114.5	C203 H223	C203-E205 VanDerWaalsContact C-N 3.27Å; C203-E205 PolarHBondContact O-N 2.99Å; E205-H223 WeakPolarHBondContact OE1-CB 3.31Å; E205-H223 IonicContact OE1-CG 3.9Å; E205-H223 IonicContact OE2-CD2 3.32Å; E205-H223 PolarHBondContact OE2-CD2 2.94Å; E205-H223 VanDerWaalsContact OE2-CD2 3.26Å; E205-H223 IonicContact OE2-CG 3.75Å
206	C	56.2	Low	58.3	Low	44 Å²	44	70.9 Å²	70.9	30%	0.297	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.2	15.7	-177.9	78	0	0	0	0	116.5	C203 E204 K208 H219 H223	C203-C206 PolarHBondContact O-N 3.35Å; E204-C206 VanDerWaalsContact C-N 3.31Å; E204-C206 PolarHBondContact O-N 3.25Å; C206-K208 PolarHBondContact O-N 2.79Å; C206-H219 PolarHBondContact SG-NE2 3.17Å; C206-H223 VanDerWaalsContact CB-NE2 3.26Å; C206-H223 WeakPolarHBondContact CB-NE2 3.36Å; C206-H223 PolarHBondContact SG-NE2 3.23Å
207	G	54.8	Low	58.4	Low	62 Å²	62	70.4 Å²	70.4	64%	0.639	39%	0.389	S	S	*	.			trans	68	-2.5	175.9	0	0	0	0	0	116.3	C203 A209	C203-G207 WeakPolarHBondContact O-CA 3.43Å; C203-G207 PolarHBondContact O-N 3.33Å; G207-A209 PolarHBondContact O-N 3.43Å
208	K	59.1	Low	58.6	Low	107 Å²	107	71.9 Å²	71.9	47%	0.465	39%	0.387	S	S	.	.			trans	-74.3	128.7	-175.8	-68.8	175	-168.2	131.9	0	110.9	A202 C203 C206 Y210	A202-K208 CarbonylContact C-O 3.35Å; C203-K208 WeakPolarHBondContact CB-O 3.42Å; C203-K208 PolarHBondContact N-O 2.82Å; C206-K208 PolarHBondContact O-N 2.79Å; K208-Y210 HydrophobicContact CB-CE2 3.68Å; K208-Y210 WeakPolarHBondContact O-CD2 3.3Å; K208-Y210 VanDerWaalsContact O-CE2 3.24Å; K208-Y210 WeakPolarHBondContact O-CE2 3.25Å
209	A	61.2	Low	58.8	Low	37 Å²	37	67.9 Å²	67.9	31%	0.306	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	140.3	-174	0	0	0	0	0	112.9	K199 Y201 A202 G207	K199-A209 HydrophobicContact CB-CB 3.5Å; K199-A209 HydrophobicContact CD-CB 4.28Å; K199-A209 HydrophobicContact CG-CB 4.4Å; Y201-A209 WeakPolarHBondContact O-CA 3.37Å; A202-A209 HydrophobicContact CB-CB 4.34Å; G207-A209 PolarHBondContact O-N 3.43Å
210	Y	66.7	Low	58.4	Low	57 Å²	57	65.2 Å²	65.2	22%	0.224	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	151.7	-165.6	-65.5	-90.2	0	0	0	113.2	K199 Y201 K208 S212 L216 H219	K199-Y210 CarbonylContact C-O 3.58Å; Y201-Y210 WeakPolarHBondContact CD2-O 3.03Å; Y201-Y210 PolarHBondContact N-O 3.24Å; Y201-Y210 PolarHBondContact O-N 2.84Å; K208-Y210 HydrophobicContact CB-CE2 3.68Å; K208-Y210 WeakPolarHBondContact O-CD2 3.3Å; K208-Y210 VanDerWaalsContact O-CE2 3.24Å; K208-Y210 WeakPolarHBondContact O-CE2 3.25Å; Y210-S212 VanDerWaalsContact C-N 3.35Å; Y210-S212 PolarHBondContact O-N 3.14Å; Y210-L216 HydrophobicContact CD2-CB 4.43Å; Y210-L216 HydrophobicContact CD2-CD1 4.14Å; Y210-H219 HydrophobicContact CE1-CB 4.29Å; Y210-H219 HydrophobicContact CE2-CB 4.1Å; Y210-H219 AromaticContact CE2-CD2 3.22Å; Y210-H219 WeakPolarHBondContact CE2-CD2 3.49Å; Y210-H219 AromaticContact CE2-CG 3.83Å; Y210-H219 AromaticContact CZ-CD2 3.4Å; Y210-H219 VanDerWaalsContact CZ-CD2 3.4Å; Y210-H219 AromaticContact CZ-CG 3.59Å; Y210-H219 PolarHBondContact OH-CD2 3.5Å; Y210-H219 PolarHBondContact OH-NE2 3.27Å
211	M	49.7	Very low	57.9	Low	46 Å²	46	63.6 Å²	63.6	23%	0.227	35%	0.346	C	S	.	.	S	Bend	trans	-72	-26.5	-177.3	-39	-48	-61.7	0	0	113.4	R193 E198 K199	R193-M211 HydrophobicContact CB-CE 3.66Å; R193-M211 PolarHBondContact NH1-O 3.27Å; R193-M211 WeakPolarHBondContact O-CE 3.48Å; E198-M211 WeakPolarHBondContact O-CE 3.26Å; K199-M211 HydrophobicContact CD-SD 4.47Å; K199-M211 HydrophobicContact CG-CE 4.21Å; K199-M211 HydrophobicContact CG-SD 3.53Å; K199-M211 VanDerWaalsContact CG-SD 3.53Å
212	S	60.8	Low	57.3	Low	22 Å²	22	63.9 Å²	63.9	15%	0.154	36%	0.356	C	S	.	.	S	Bend	trans	-140.3	147.7	-178.7	69.4	0	0	0	0	112.5	Y210 S214 S215 L216	Y210-S212 VanDerWaalsContact C-N 3.35Å; Y210-S212 PolarHBondContact O-N 3.14Å; S212-S214 PolarHBondContact O-N 2.61Å; S212-S214 PolarHBondContact OG-OG 2.94Å; S212-S215 WeakPolarHBondContact O-CB 3.47Å; S212-S215 PolarHBondContact O-N 2.78Å; S212-S215 PolarHBondContact OG-N 3.1Å; S212-S215 PolarHBondContact OG-OG 2.89Å; S212-L216 PolarHBondContact O-N 2.96Å
213	Y	53.8	Low	57	Low	147 Å²	147	65 Å²	65	58%	0.576	35%	0.352	S	S	*	.	H	α-helix	trans	-55.8	-38.2	176	-174.8	-105.8	0	0	0	112.6	Y201 S215 L216 I217	Y201-Y213 HydrophobicContact CD1-CD2 4.12Å; Y201-Y213 VanDerWaalsContact CD2-N 3.33Å; Y201-Y213 HydrophobicContact CE1-CD2 4.37Å; Y213-S215 VanDerWaalsContact C-N 3.28Å; Y213-S215 PolarHBondContact O-N 2.86Å; Y213-L216 WeakPolarHBondContact O-CB 3.41Å; Y213-L216 PolarHBondContact O-N 2.83Å; Y213-L216 VanDerWaalsContact O-N 3.13Å; Y213-I217 HydrophobicContact CD1-CG1 4.09Å; Y213-I217 HydrophobicContact CE1-CD1 4.13Å; Y213-I217 HydrophobicContact CE1-CG1 3.76Å; Y213-I217 HydrophobicContact CE2-CD1 4.41Å; Y213-I217 WeakPolarHBondContact O-CG1 3.1Å; Y213-I217 PolarHBondContact O-N 3.46Å
214	S	58.8	Low	56.5	Low	73 Å²	73	68.7 Å²	68.7	51%	0.51	38%	0.377	S	S	.	.	H	α-helix	trans	-60.1	-33.6	174.1	51.2	0	0	0	0	113.6	S212 N218	S212-S214 PolarHBondContact O-N 2.61Å; S212-S214 PolarHBondContact OG-OG 2.94Å; S214-N218 WeakPolarHBondContact O-CB 3.42Å; S214-N218 PolarHBondContact O-N 3.47Å; S214-N218 VanDerWaalsContact O-N 3.14Å; S214-N218 PolarHBondContact O-ND2 3.31Å
215	S	57.5	Low	56.1	Low	50 Å²	50	63.8 Å²	63.8	35%	0.35	37%	0.37	S	S	.	.	H	α-helix	trans	-75	-33.9	174.8	-66.9	0	0	0	0	112.2	S212 Y213 H219	S212-S215 WeakPolarHBondContact O-CB 3.47Å; S212-S215 PolarHBondContact O-N 2.78Å; S212-S215 PolarHBondContact OG-N 3.1Å; S212-S215 PolarHBondContact OG-OG 2.89Å; Y213-S215 VanDerWaalsContact C-N 3.28Å; Y213-S215 PolarHBondContact O-N 2.86Å; S215-H219 WeakPolarHBondContact O-CB 3.39Å; S215-H219 PolarHBondContact O-N 3.19Å
216	L	57.5	Low	55.8	Low	13 Å²	13	65 Å²	65	7%	0.068	38%	0.375	C	S	.	.	H	α-helix	trans	-65.9	-44.9	172.6	175.8	61.5	0	0	0	111.8	A202 C203 Y210 S212 Y213 N218 H219 K220	A202-L216 WeakPolarHBondContact O-CD1 3.47Å; A202-L216 WeakPolarHBondContact O-CD2 3.42Å; C203-L216 HydrophobicContact CB-CD1 3.61Å; Y210-L216 HydrophobicContact CD2-CB 4.43Å; Y210-L216 HydrophobicContact CD2-CD1 4.14Å; S212-L216 PolarHBondContact O-N 2.96Å; Y213-L216 WeakPolarHBondContact O-CB 3.41Å; Y213-L216 PolarHBondContact O-N 2.83Å; Y213-L216 VanDerWaalsContact O-N 3.13Å; L216-N218 VanDerWaalsContact C-N 3.35Å; L216-N218 PolarHBondContact O-N 3.12Å; L216-H219 CarbonylContact O-C 3.42Å; L216-H219 WeakPolarHBondContact O-CA 3.37Å; L216-H219 WeakPolarHBondContact O-CB 3.47Å; L216-H219 PolarHBondContact O-N 3.24Å; L216-K220 HydrophobicContact CD1-CG 4.24Å; L216-K220 PolarHBondContact O-N 3.05Å
217	I	58.9	Low	55.5	Low	78 Å²	78	67.7 Å²	67.7	40%	0.4	38%	0.382	S	S	.	.	H	α-helix	trans	-63.6	-40.1	176.7	-64.9	-62.5	0	0	0	111.7	Y213 H219 K220 S221	Y213-I217 HydrophobicContact CD1-CG1 4.09Å; Y213-I217 HydrophobicContact CE1-CD1 4.13Å; Y213-I217 HydrophobicContact CE1-CG1 3.76Å; Y213-I217 HydrophobicContact CE2-CD1 4.41Å; Y213-I217 WeakPolarHBondContact O-CG1 3.1Å; Y213-I217 PolarHBondContact O-N 3.46Å; I217-H219 PolarHBondContact O-N 3.17Å; I217-H219 VanDerWaalsContact O-N 3.15Å; I217-K220 PolarHBondContact O-N 2.89Å; I217-S221 PolarHBondContact O-N 3.43Å; I217-S221 PolarHBondContact O-OG 3.41Å
218	N	58	Low	55.5	Low	76 Å²	76	71 Å²	71	41%	0.406	39%	0.385	S	S	.	.	H	α-helix	trans	-65.3	-10.7	171.4	-73.7	-17.8	0	0	0	113.9	S214 L216 S221 Y240	S214-N218 WeakPolarHBondContact O-CB 3.42Å; S214-N218 PolarHBondContact O-N 3.47Å; S214-N218 VanDerWaalsContact O-N 3.14Å; S214-N218 PolarHBondContact O-ND2 3.31Å; L216-N218 VanDerWaalsContact C-N 3.35Å; L216-N218 PolarHBondContact O-N 3.12Å; N218-S221 PolarHBondContact O-OG 3.03Å; N218-Y240 PolarHBondContact ND2-OH 3.21Å; N218-Y240 PolarHBondContact OD1-OH 3.12Å; N218-Y240 VanDerWaalsContact OD1-OH 3.1Å
219	H	60.8	Low	55.2	Low	16 Å²	16	67.2 Å²	67.2	7%	0.074	37%	0.371	C	S	.	.	H	α-helix	trans	-104.8	-36.7	175.8	175.4	43.8	0	0	0	113.2	C206 Y210 S215 L216 I217 S221 T222 H223	C206-H219 PolarHBondContact SG-NE2 3.17Å; Y210-H219 HydrophobicContact CE1-CB 4.29Å; Y210-H219 HydrophobicContact CE2-CB 4.1Å; Y210-H219 AromaticContact CE2-CD2 3.22Å; Y210-H219 WeakPolarHBondContact CE2-CD2 3.49Å; Y210-H219 AromaticContact CE2-CG 3.83Å; Y210-H219 AromaticContact CZ-CD2 3.4Å; Y210-H219 VanDerWaalsContact CZ-CD2 3.4Å; Y210-H219 AromaticContact CZ-CG 3.59Å; Y210-H219 PolarHBondContact OH-CD2 3.5Å; Y210-H219 PolarHBondContact OH-NE2 3.27Å; S215-H219 WeakPolarHBondContact O-CB 3.39Å; S215-H219 PolarHBondContact O-N 3.19Å; L216-H219 CarbonylContact O-C 3.42Å; L216-H219 WeakPolarHBondContact O-CA 3.37Å; L216-H219 WeakPolarHBondContact O-CB 3.47Å; L216-H219 PolarHBondContact O-N 3.24Å; I217-H219 PolarHBondContact O-N 3.17Å; I217-H219 VanDerWaalsContact O-N 3.15Å; H219-S221 PolarHBondContact O-N 3.28Å; H219-T222 PolarHBondContact ND1-OG1 3.34Å; H219-T222 WeakPolarHBondContact O-CA 3.4Å; H219-T222 WeakPolarHBondContact O-CB 3.46Å; H219-T222 PolarHBondContact O-N 3.01Å; H219-T222 PolarHBondContact O-OG1 3.13Å; H219-H223 AromaticContact CE1-NE2 3.75Å
220	K	53.5	Low	54.7	Low	65 Å²	65	71.7 Å²	71.7	28%	0.283	38%	0.384	S	S	.	.	H	α-helix	trans	-57.5	-36.7	171.7	-70.3	-158.7	172.1	-162.9	0	111	E204 L216 I217 T222 H223 S224	E204-K220 IonicContact OE2-NZ 3.99Å; E204-K220 PolarHBondContact OE2-NZ 3.21Å; L216-K220 HydrophobicContact CD1-CG 4.24Å; L216-K220 PolarHBondContact O-N 3.05Å; I217-K220 PolarHBondContact O-N 2.89Å; K220-T222 PolarHBondContact O-N 3.07Å; K220-H223 PolarHBondContact O-N 3.26Å; K220-S224 PolarHBondContact O-N 2.87Å; K220-S224 PolarHBondContact O-OG 2.67Å
221	S	54.7	Low	54.1	Low	34 Å²	34	69 Å²	69	24%	0.238	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	6.1	168.6	52.7	0	0	0	0	116.1	I217 N218 H219	I217-S221 PolarHBondContact O-N 3.43Å; I217-S221 PolarHBondContact O-OG 3.41Å; N218-S221 PolarHBondContact O-OG 3.03Å; H219-S221 PolarHBondContact O-N 3.28Å
222	T	51.7	Low	54.2	Low	82 Å²	82	72.4 Å²	72.4	50%	0.503	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-11.2	166.1	66.3	0	0	0	0	113.7	H219 K220	H219-T222 PolarHBondContact ND1-OG1 3.34Å; H219-T222 WeakPolarHBondContact O-CA 3.4Å; H219-T222 WeakPolarHBondContact O-CB 3.46Å; H219-T222 PolarHBondContact O-N 3.01Å; H219-T222 PolarHBondContact O-OG1 3.13Å; K220-T222 PolarHBondContact O-N 3.07Å
223	H	49.2	Very low	53.7	Low	80 Å²	80	77 Å²	77	37%	0.37	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-51.3	171.2	-60.9	-53.7	0	0	0	111.2	E205 C206 H219 K220 G225	E205-H223 WeakPolarHBondContact OE1-CB 3.31Å; E205-H223 IonicContact OE1-CG 3.9Å; E205-H223 IonicContact OE2-CD2 3.32Å; E205-H223 PolarHBondContact OE2-CD2 2.94Å; E205-H223 VanDerWaalsContact OE2-CD2 3.26Å; E205-H223 IonicContact OE2-CG 3.75Å; C206-H223 VanDerWaalsContact CB-NE2 3.26Å; C206-H223 WeakPolarHBondContact CB-NE2 3.36Å; C206-H223 PolarHBondContact SG-NE2 3.23Å; H219-H223 AromaticContact CE1-NE2 3.75Å; K220-H223 PolarHBondContact O-N 3.26Å; H223-G225 PolarHBondContact O-N 2.82Å
224	S	51.8	Low	53.4	Low	78 Å²	78	72.1 Å²	72.1	55%	0.545	40%	0.399	S	S	.	.	S	Bend	trans	-70.2	0.7	-171.6	-37.8	0	0	0	0	115.8	K220 E226	K220-S224 PolarHBondContact O-N 2.87Å; K220-S224 PolarHBondContact O-OG 2.67Å; S224-E226 PolarHBondContact O-N 3.28Å
225	G	49.1	Very low	52.9	Low	57 Å²	57	71.7 Å²	71.7	59%	0.588	41%	0.406	S	S	*	.			trans	70.6	-28.5	178.2	0	0	0	0	0	116.7	H223 K227	H223-G225 PolarHBondContact O-N 2.82Å; G225-K227 PolarHBondContact O-N 3.26Å; G225-K227 VanDerWaalsContact O-N 3.07Å
226	E	47.7	Very low	52.5	Low	141 Å²	141	75 Å²	75	66%	0.659	41%	0.414	S	S	*	.			trans	-61.7	104.8	-176.1	-68.1	-158.6	141.5	0	0	113.4	S224	S224-E226 PolarHBondContact O-N 3.28Å
227	K	49.5	Very low	52.2	Low	101 Å²	101	76.8 Å²	76.8	44%	0.439	43%	0.427	S	S	.	.			trans	-115.8	91.9	173.2	-70.2	175.8	-175.7	167	0	109.1	G225 C229 S237	G225-K227 PolarHBondContact O-N 3.26Å; G225-K227 VanDerWaalsContact O-N 3.07Å; K227-C229 PolarHBondContact O-N 3.09Å; K227-S237 VanDerWaalsContact CB-CB 3.49Å
228	N	55.7	Low	52.4	Low	132 Å²	132	75 Å²	75	71%	0.706	42%	0.417	S	S	*	.	S	Bend	trans	-74.1	24.2	-161.5	-60	5.7	0	0	0	115.3
229	C	53.5	Low	52.1	Low	26 Å²	26	74.9 Å²	74.9	18%	0.176	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	83.3	177.6	-80.5	0	0	0	0	110.3	K227 S237 F238 S241 L244	K227-C229 PolarHBondContact O-N 3.09Å; C229-S237 WeakPolarHBondContact O-CA 3.24Å; C229-F238 WeakPolarHBondContact CB-O 3.49Å; C229-F238 PolarHBondContact O-N 2.93Å; C229-S241 VanDerWaalsContact SG-CA 3.51Å; C229-S241 PolarHBondContact SG-N 3.26Å; C229-L244 HydrophobicContact CB-CB 4.1Å; C229-L244 HydrophobicContact CB-CD2 3.79Å
230	K	49.1	Very low	51.9	Low	132 Å²	132	79.6 Å²	79.6	57%	0.574	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	150.9	172.8	64.4	176	-178.4	170.3	0	112.3	D232 L244	K230-D232 WeakPolarHBondContact CE-OD1 3.26Å; K230-D232 IonicContact NZ-OD1 2.59Å; K230-L244 VanDerWaalsContact O-CD2 3.23Å; K230-L244 WeakPolarHBondContact O-CD2 3.28Å
231	C	54.5	Low	51.9	Low	1 Å²	1	79.9 Å²	79.9	1%	0.007	44%	0.444	C	S	.	.			trans	-104.1	110.1	169.8	-179.2	0	0	0	0	109.6	E233 C234 G235 K236 F238 L244	C231-E233 VanDerWaalsContact C-N 3.26Å; C231-E233 PolarHBondContact O-N 3.49Å; C231-C234 PolarHBondContact O-N 2.92Å; C231-C234 VanDerWaalsContact SG-SG 3.68Å; C231-G235 WeakPolarHBondContact O-CA 3.47Å; C231-G235 PolarHBondContact O-N 3.19Å; C231-K236 WeakPolarHBondContact CB-O 3.48Å; C231-K236 PolarHBondContact N-O 3Å; C231-F238 HydrophobicContact CB-CE2 4.38Å; C231-L244 HydrophobicContact CB-CD1 3.53Å
232	D	51	Low	52	Low	116 Å²	116	82.2 Å²	82.2	62%	0.62	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-24.7	-170.2	-47.6	-78.7	0	0	0	113	K230 C234	K230-D232 WeakPolarHBondContact CE-OD1 3.26Å; K230-D232 IonicContact NZ-OD1 2.59Å; D232-C234 PolarHBondContact O-N 3.41Å
233	E	50.9	Low	52.3	Low	120 Å²	120	81.3 Å²	81.3	56%	0.561	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-12.5	176	-62.6	175.1	101.1	0	0	114.7	C231 H251	C231-E233 VanDerWaalsContact C-N 3.26Å; C231-E233 PolarHBondContact O-N 3.49Å; E233-H251 VanDerWaalsContact CD-CB 3.49Å; E233-H251 VanDerWaalsContact OE1-CB 3.25Å; E233-H251 WeakPolarHBondContact OE1-CB 3.49Å; E233-H251 IonicContact OE1-CG 3.59Å; E233-H251 VanDerWaalsContact OE2-CB 3.22Å; E233-H251 WeakPolarHBondContact OE2-CB 3.48Å; E233-H251 IonicContact OE2-CD2 2.67Å; E233-H251 IonicContact OE2-CG 3.21Å; E233-H251 VanDerWaalsContact OE2-CG 3.32Å
234	C	46.8	Very low	52.9	Low	44 Å²	44	78.1 Å²	78.1	30%	0.297	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.8	12.6	-179.3	72.1	0	0	0	0	116.8	C231 D232 K236 H247	C231-C234 PolarHBondContact O-N 2.92Å; C231-C234 VanDerWaalsContact SG-SG 3.68Å; D232-C234 PolarHBondContact O-N 3.41Å; C234-K236 PolarHBondContact O-N 3.33Å; C234-K236 VanDerWaalsContact O-N 3.08Å; C234-H247 PolarHBondContact SG-NE2 2.95Å; C234-H247 VanDerWaalsContact SG-NE2 3.36Å
235	G	49.3	Very low	53.3	Low	64 Å²	64	78.5 Å²	78.5	66%	0.66	44%	0.436	S	S	*	.			trans	67.2	4.2	176.1	0	0	0	0	0	116	C231	C231-G235 WeakPolarHBondContact O-CA 3.47Å; C231-G235 PolarHBondContact O-N 3.19Å
236	K	49.4	Very low	53.9	Low	119 Å²	119	80.1 Å²	80.1	52%	0.517	43%	0.429	S	S	.	.			trans	-85.6	120.9	-174.4	-72.5	168.4	-169.4	149.8	0	111.5	C231 C234 F238	C231-K236 WeakPolarHBondContact CB-O 3.48Å; C231-K236 PolarHBondContact N-O 3Å; C234-K236 PolarHBondContact O-N 3.33Å; C234-K236 VanDerWaalsContact O-N 3.08Å; K236-F238 HydrophobicContact CB-CE2 3.83Å; K236-F238 HydrophobicContact CB-CZ 3.93Å; K236-F238 WeakPolarHBondContact O-CD2 3.4Å; K236-F238 WeakPolarHBondContact O-CE2 3.5Å
237	S	50.8	Low	54.7	Low	50 Å²	50	74.6 Å²	74.6	35%	0.35	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	139.4	177.8	-49.6	0	0	0	0	112.6	K227 C229	K227-S237 VanDerWaalsContact CB-CB 3.49Å; C229-S237 WeakPolarHBondContact O-CA 3.24Å
238	F	64.1	Low	55.2	Low	40 Å²	40	73.6 Å²	73.6	18%	0.175	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	155.2	-176.3	-59.3	-87.1	0	0	0	111.2	C229 C231 K236 Y240 V243 L244 H247	C229-F238 WeakPolarHBondContact CB-O 3.49Å; C229-F238 PolarHBondContact O-N 2.93Å; C231-F238 HydrophobicContact CB-CE2 4.38Å; K236-F238 HydrophobicContact CB-CE2 3.83Å; K236-F238 HydrophobicContact CB-CZ 3.93Å; K236-F238 WeakPolarHBondContact O-CD2 3.4Å; K236-F238 WeakPolarHBondContact O-CE2 3.5Å; F238-Y240 VanDerWaalsContact C-N 3.31Å; F238-Y240 PolarHBondContact O-N 3.4Å; F238-V243 HydrophobicContact CB-CB 4.47Å; F238-V243 HydrophobicContact CB-CG1 4.39Å; F238-V243 HydrophobicContact CD1-CG1 3.68Å; F238-V243 HydrophobicContact CE1-CG1 4.36Å; F238-V243 HydrophobicContact CG-CG1 4.25Å; F238-L244 HydrophobicContact CD2-CB 4.19Å; F238-L244 HydrophobicContact CD2-CD1 3.97Å; F238-L244 HydrophobicContact CE2-CD1 4.24Å; F238-H247 HydrophobicContact CE1-CB 4.4Å; F238-H247 HydrophobicContact CE2-CB 3.88Å; F238-H247 AromaticContact CE2-CD2 3.41Å; F238-H247 VanDerWaalsContact CE2-CD2 3.41Å; F238-H247 WeakPolarHBondContact CE2-CD2 3.29Å; F238-H247 AromaticContact CE2-CG 3.58Å; F238-H247 AromaticContact CE2-NE2 3.95Å; F238-H247 HydrophobicContact CZ-CB 3.8Å; F238-H247 AromaticContact CZ-CD2 3.49Å; F238-H247 VanDerWaalsContact CZ-CD2 3.49Å; F238-H247 WeakPolarHBondContact CZ-CD2 3.46Å; F238-H247 AromaticContact CZ-CE1 3.74Å; F238-H247 AromaticContact CZ-CG 3.32Å; F238-H247 AromaticContact CZ-ND1 3.5Å; F238-H247 AromaticContact CZ-NE2 3.73Å
239	N	50.2	Low	55.9	Low	75 Å²	75	70.6 Å²	70.6	40%	0.401	38%	0.377	S	S	.	.	S	Bend	trans	-81.4	-7.6	-177.2	-59.6	43.4	0	0	0	113.4
240	Y	58.2	Low	56	Low	115 Å²	115	74 Å²	74	45%	0.451	39%	0.392	S	S	.	.			trans	-146.7	139.7	179.6	-53.6	-71.7	0	0	0	111.3	N218 F238 S242 V243 L244	N218-Y240 PolarHBondContact ND2-OH 3.21Å; N218-Y240 PolarHBondContact OD1-OH 3.12Å; N218-Y240 VanDerWaalsContact OD1-OH 3.1Å; F238-Y240 VanDerWaalsContact C-N 3.31Å; F238-Y240 PolarHBondContact O-N 3.4Å; Y240-S242 VanDerWaalsContact C-N 3.3Å; Y240-S242 PolarHBondContact O-N 3.5Å; Y240-V243 HydrophobicContact CD2-CG2 4.24Å; Y240-V243 PolarHBondContact O-N 3.44Å; Y240-L244 PolarHBondContact O-N 3.34Å; Y240-L244 VanDerWaalsContact O-N 3.12Å
241	S	52.1	Low	56.1	Low	71 Å²	71	71 Å²	71	50%	0.497	38%	0.381	S	S	.	.	H	α-helix	trans	-59.8	-37.7	176.4	57	0	0	0	0	112.7	C229 V243 L244 D245	C229-S241 VanDerWaalsContact SG-CA 3.51Å; C229-S241 PolarHBondContact SG-N 3.26Å; S241-V243 PolarHBondContact O-N 3.09Å; S241-L244 CarbonylContact O-C 3.51Å; S241-L244 WeakPolarHBondContact O-CA 3.47Å; S241-L244 WeakPolarHBondContact O-CB 3.4Å; S241-L244 PolarHBondContact O-N 3.41Å; S241-D245 PolarHBondContact O-N 2.96Å
242	S	58	Low	56.1	Low	82 Å²	82	74.8 Å²	74.8	57%	0.573	40%	0.404	S	S	*	.	H	α-helix	trans	-62.6	-23.8	176.2	60.1	0	0	0	0	114.1	Y240 Q246	Y240-S242 VanDerWaalsContact C-N 3.3Å; Y240-S242 PolarHBondContact O-N 3.5Å; S242-Q246 WeakPolarHBondContact O-CB 3.33Å; S242-Q246 PolarHBondContact O-N 3.12Å
243	V	58.1	Low	56.2	Low	64 Å²	64	71.2 Å²	71.2	39%	0.388	40%	0.395	S	S	.	.	H	α-helix	trans	-85.4	-35.5	172.7	-178.5	0	0	0	0	110.6	F238 Y240 S241 Q246 H247	F238-V243 HydrophobicContact CB-CB 4.47Å; F238-V243 HydrophobicContact CB-CG1 4.39Å; F238-V243 HydrophobicContact CD1-CG1 3.68Å; F238-V243 HydrophobicContact CE1-CG1 4.36Å; F238-V243 HydrophobicContact CG-CG1 4.25Å; Y240-V243 HydrophobicContact CD2-CG2 4.24Å; Y240-V243 PolarHBondContact O-N 3.44Å; S241-V243 PolarHBondContact O-N 3.09Å; V243-Q246 CarbonylContact O-C 3.54Å; V243-Q246 PolarHBondContact O-N 3.43Å; V243-H247 VanDerWaalsContact O-CB 3.3Å; V243-H247 WeakPolarHBondContact O-CB 3.49Å; V243-H247 PolarHBondContact O-N 3.36Å
244	L	61.1	Low	56.4	Low	13 Å²	13	70 Å²	70	7%	0.068	39%	0.389	C	S	.	.	H	α-helix	trans	-63.4	-44.3	170.2	173.2	62.5	0	0	0	112	C229 K230 C231 F238 Y240 S241 H247 K248	C229-L244 HydrophobicContact CB-CB 4.1Å; C229-L244 HydrophobicContact CB-CD2 3.79Å; K230-L244 VanDerWaalsContact O-CD2 3.23Å; K230-L244 WeakPolarHBondContact O-CD2 3.28Å; C231-L244 HydrophobicContact CB-CD1 3.53Å; F238-L244 HydrophobicContact CD2-CB 4.19Å; F238-L244 HydrophobicContact CD2-CD1 3.97Å; F238-L244 HydrophobicContact CE2-CD1 4.24Å; Y240-L244 PolarHBondContact O-N 3.34Å; Y240-L244 VanDerWaalsContact O-N 3.12Å; S241-L244 CarbonylContact O-C 3.51Å; S241-L244 WeakPolarHBondContact O-CA 3.47Å; S241-L244 WeakPolarHBondContact O-CB 3.4Å; S241-L244 PolarHBondContact O-N 3.41Å; L244-H247 CarbonylContact O-C 3.51Å; L244-H247 VanDerWaalsContact O-CA 3.28Å; L244-H247 WeakPolarHBondContact O-CA 3.15Å; L244-H247 VanDerWaalsContact O-CB 3.26Å; L244-H247 WeakPolarHBondContact O-CB 3.31Å; L244-H247 PolarHBondContact O-N 2.95Å; L244-K248 HydrophobicContact CD1-CG 4.26Å; L244-K248 PolarHBondContact O-N 2.84Å
245	D	60.5	Low	57.3	Low	85 Å²	85	73.7 Å²	73.7	46%	0.455	40%	0.4	S	S	.	.	H	α-helix	trans	-67.1	-39.3	175.7	-69.2	-21	0	0	0	111.1	S241 H247	S241-D245 PolarHBondContact O-N 2.96Å; D245-H247 PolarHBondContact O-N 3.27Å
246	Q	60.8	Low	58.3	Low	92 Å²	92	73.9 Å²	73.9	43%	0.43	39%	0.39	S	S	.	.	H	α-helix	trans	-60.6	-29.2	167.5	-176.1	167.4	121.5	0	0	111.4	S242 V243 R267	S242-Q246 WeakPolarHBondContact O-CB 3.33Å; S242-Q246 PolarHBondContact O-N 3.12Å; V243-Q246 CarbonylContact O-C 3.54Å; V243-Q246 PolarHBondContact O-N 3.43Å; Q246-R267 PolarHBondContact O-NE 2.75Å; Q246-R267 PolarHBondContact O-NH2 3.07Å
247	H	65.4	Low	58.9	Low	25 Å²	25	72.2 Å²	72.2	12%	0.116	38%	0.381	C	S	.	.	H	α-helix	trans	-80.9	-41.3	179	-173.2	72.2	0	0	0	113.9	C234 F238 V243 L244 D245 R249 I250 R267	C234-H247 PolarHBondContact SG-NE2 2.95Å; C234-H247 VanDerWaalsContact SG-NE2 3.36Å; F238-H247 HydrophobicContact CE1-CB 4.4Å; F238-H247 HydrophobicContact CE2-CB 3.88Å; F238-H247 AromaticContact CE2-CD2 3.41Å; F238-H247 VanDerWaalsContact CE2-CD2 3.41Å; F238-H247 WeakPolarHBondContact CE2-CD2 3.29Å; F238-H247 AromaticContact CE2-CG 3.58Å; F238-H247 AromaticContact CE2-NE2 3.95Å; F238-H247 HydrophobicContact CZ-CB 3.8Å; F238-H247 AromaticContact CZ-CD2 3.49Å; F238-H247 VanDerWaalsContact CZ-CD2 3.49Å; F238-H247 WeakPolarHBondContact CZ-CD2 3.46Å; F238-H247 AromaticContact CZ-CE1 3.74Å; F238-H247 AromaticContact CZ-CG 3.32Å; F238-H247 AromaticContact CZ-ND1 3.5Å; F238-H247 AromaticContact CZ-NE2 3.73Å; V243-H247 VanDerWaalsContact O-CB 3.3Å; V243-H247 WeakPolarHBondContact O-CB 3.49Å; V243-H247 PolarHBondContact O-N 3.36Å; L244-H247 CarbonylContact O-C 3.51Å; L244-H247 VanDerWaalsContact O-CA 3.28Å; L244-H247 WeakPolarHBondContact O-CA 3.15Å; L244-H247 VanDerWaalsContact O-CB 3.26Å; L244-H247 WeakPolarHBondContact O-CB 3.31Å; L244-H247 PolarHBondContact O-N 2.95Å; D245-H247 PolarHBondContact O-N 3.27Å; H247-R249 PolarHBondContact O-N 3.06Å; H247-I250 VanDerWaalsContact CE1-CD1 3.47Å; H247-I250 WeakPolarHBondContact CE1-CD1 3.31Å; H247-I250 WeakPolarHBondContact O-CG1 3.32Å; H247-I250 PolarHBondContact O-N 3.26Å; H247-R267 PolarHBondContact O-NH2 3.25Å
248	K	59.9	Low	59.1	Low	80 Å²	80	76 Å²	76	35%	0.348	39%	0.393	S	S	.	.	H	α-helix	trans	-52.1	-33.4	178.2	-75.9	-179.9	173.7	-175.1	0	112.4	L244 I250 H251 T252	L244-K248 HydrophobicContact CD1-CG 4.26Å; L244-K248 PolarHBondContact O-N 2.84Å; K248-I250 PolarHBondContact O-N 3.23Å; K248-H251 PolarHBondContact O-N 3.02Å; K248-T252 PolarHBondContact O-N 3.44Å
249	R	69.3	Low	59.2	Low	68 Å²	68	74.1 Å²	74.1	26%	0.257	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	4	169.1	-57	-176.4	179.7	153.8	9.1	116.3	H247 E254 R267	H247-R249 PolarHBondContact O-N 3.06Å; R249-E254 HydrophobicContact CB-CB 4.3Å; R249-E254 HydrophobicContact CG-CB 4.05Å; R249-E254 WeakPolarHBondContact CG-OE2 3.39Å; R249-E254 IonicContact NE-OE2 2.68Å; R249-E254 PolarHBondContact NE-OE2 2.94Å; R249-R267 VanDerWaalsContact C-NH1 3.26Å; R249-R267 HydrophobicContact CB-CG 3.67Å; R249-R267 VanDerWaalsContact O-CZ 3.29Å; R249-R267 PolarHBondContact O-NH1 3Å
250	I	56.1	Low	59.2	Low	97 Å²	97	74.5 Å²	74.5	50%	0.497	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-47.4	163.5	-62.4	-165.6	0	0	0	107.5	H247 K248	H247-I250 VanDerWaalsContact CE1-CD1 3.47Å; H247-I250 WeakPolarHBondContact CE1-CD1 3.31Å; H247-I250 WeakPolarHBondContact O-CG1 3.32Å; H247-I250 PolarHBondContact O-N 3.26Å; K248-I250 PolarHBondContact O-N 3.23Å
251	H	51.7	Low	59	Low	70 Å²	70	74.2 Å²	74.2	32%	0.324	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-47.8	-171.2	-54.3	-86.2	0	0	0	110.8	E233 K248 G253	E233-H251 VanDerWaalsContact CD-CB 3.49Å; E233-H251 VanDerWaalsContact OE1-CB 3.25Å; E233-H251 WeakPolarHBondContact OE1-CB 3.49Å; E233-H251 IonicContact OE1-CG 3.59Å; E233-H251 VanDerWaalsContact OE2-CB 3.22Å; E233-H251 WeakPolarHBondContact OE2-CB 3.48Å; E233-H251 IonicContact OE2-CD2 2.67Å; E233-H251 IonicContact OE2-CG 3.21Å; E233-H251 VanDerWaalsContact OE2-CG 3.32Å; K248-H251 PolarHBondContact O-N 3.02Å; H251-G253 PolarHBondContact O-N 3.03Å
252	T	55.2	Low	59.1	Low	80 Å²	80	73.3 Å²	73.3	49%	0.491	40%	0.402	S	S	.	.	S	Bend	trans	-72.4	-5.8	177.3	67.9	0	0	0	0	114.6	K248 E254	K248-T252 PolarHBondContact O-N 3.44Å; T252-E254 PolarHBondContact O-N 3.18Å; T252-E254 WeakPolarHBondContact OG1-CG 3.48Å
253	G	53.2	Low	58.9	Low	42 Å²	42	72.1 Å²	72.1	43%	0.433	40%	0.403	S	S	.	.			trans	67.7	-6.7	179.2	0	0	0	0	0	116.7	H251	H251-G253 PolarHBondContact O-N 3.03Å
254	E	54.3	Low	58.9	Low	94 Å²	94	74.9 Å²	74.9	44%	0.439	41%	0.41	S	S	.	.			trans	-51	135.4	-174.6	-76.8	176.9	-165.7	0	0	114.6	R249 T252 P256 R267	R249-E254 HydrophobicContact CB-CB 4.3Å; R249-E254 HydrophobicContact CG-CB 4.05Å; R249-E254 WeakPolarHBondContact CG-OE2 3.39Å; R249-E254 IonicContact NE-OE2 2.68Å; R249-E254 PolarHBondContact NE-OE2 2.94Å; T252-E254 PolarHBondContact O-N 3.18Å; T252-E254 WeakPolarHBondContact OG1-CG 3.48Å; E254-P256 HydrophobicContact CB-CG 4.39Å; E254-R267 WeakPolarHBondContact O-CB 3.46Å; E254-R267 WeakPolarHBondContact O-CG 3.48Å
255	K	65.6	Low	59.1	Low	121 Å²	121	75.8 Å²	75.8	53%	0.526	42%	0.419	S	S	.	.			trans	-132.2	67.7	177.8	-67.7	157.2	-167.5	160.5	0	112.5	Y257 A265 F266 R267	K255-Y257 PolarHBondContact O-N 3.12Å; K255-A265 HydrophobicContact CB-CB 3.46Å; K255-A265 VanDerWaalsContact CB-CB 3.46Å; K255-A265 HydrophobicContact CD-CB 4Å; K255-A265 HydrophobicContact CG-CB 4.32Å; K255-F266 CarbonylContact C-O 3.59Å; K255-F266 WeakPolarHBondContact CA-O 3.2Å; K255-R267 HydrophobicContact CG-CB 4.23Å
256	P	69.2	Low	59.6	Low	69 Å²	69	74.3 Å²	74.3	45%	0.448	41%	0.408	S	S	.	.			trans	-71	10.3	-167.5	-19.7	35	0	0	0	117	E254	E254-P256 HydrophobicContact CB-CG 4.39Å
257	Y	63.3	Low	59.4	Low	84 Å²	84	72.9 Å²	72.9	33%	0.329	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	85.2	-175.6	-55.7	-77.1	0	0	0	110.4	K255 F266 N268	K255-Y257 PolarHBondContact O-N 3.12Å; Y257-F266 WeakPolarHBondContact CB-O 3.15Å; Y257-F266 WeakPolarHBondContact CD2-O 3.47Å; Y257-F266 PolarHBondContact N-O 3.12Å; Y257-F266 WeakPolarHBondContact O-CB 3.46Å; Y257-F266 PolarHBondContact O-N 2.67Å; Y257-N268 VanDerWaalsContact CD2-CA 3.46Å
258	E	54.9	Low	59.7	Low	130 Å²	130	74.2 Å²	74.2	61%	0.607	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	151	-176.3	-52.5	-154.4	137.9	0	0	113.9	A265 L272	E258-A265 HydrophobicContact CG-CB 3.88Å; E258-A265 WeakPolarHBondContact OE1-CB 3.47Å; E258-L272 WeakPolarHBondContact O-CD2 3.34Å
259	C	65.9	Low	59.8	Low	0 Å²	0	73.2 Å²	73.2	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	98.9	176.4	-161.6	0	0	0	0	110.7	E261 C262 G263 K264 L272 H275 H279	C259-E261 PolarHBondContact O-N 2.99Å; C259-E261 PolarHBondContact SG-OE2 2.87Å; C259-C262 PolarHBondContact O-N 2.95Å; C259-G263 PolarHBondContact O-N 3.5Å; C259-K264 WeakPolarHBondContact CB-O 3.45Å; C259-K264 PolarHBondContact N-O 3.43Å; C259-L272 HydrophobicContact CB-CD1 3.52Å; C259-H275 PolarHBondContact SG-CD2 3.25Å; C259-H279 PolarHBondContact SG-NE2 2.99Å; C259-H279 VanDerWaalsContact SG-NE2 3.39Å
260	G	51.1	Low	59.5	Low	83 Å²	83	72.8 Å²	72.8	86%	0.856	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-23.5	-179.2	0	0	0	0	0	115.4
261	E	53.8	Low	59.9	Low	109 Å²	109	69.1 Å²	69.1	51%	0.509	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-15.4	175.4	-66.9	139.3	162.2	0	0	114.4	C259 K276 H279	C259-E261 PolarHBondContact O-N 2.99Å; C259-E261 PolarHBondContact SG-OE2 2.87Å; E261-K276 IonicContact OE1-NZ 3.18Å; E261-K276 PolarHBondContact OE1-NZ 3.2Å; E261-K276 IonicContact OE2-NZ 3.75Å; E261-K276 PolarHBondContact OE2-NZ 2.82Å; E261-H279 IonicContact OE2-CD2 2.65Å; E261-H279 PolarHBondContact OE2-CD2 3.36Å
262	C	53.3	Low	60.7	Low	52 Å²	52	67.1 Å²	67.1	35%	0.351	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.5	15.6	-178.6	72.5	0	0	0	0	116.7	C259 K264 H275 H279	C259-C262 PolarHBondContact O-N 2.95Å; C262-K264 PolarHBondContact O-N 2.84Å; C262-K264 VanDerWaalsContact O-N 3.08Å; C262-H275 PolarHBondContact SG-NE2 3.48Å; C262-H279 PolarHBondContact SG-CE1 2.7Å; C262-H279 PolarHBondContact SG-NE2 3.43Å; C262-H279 VanDerWaalsContact SG-NE2 3.35Å
263	G	53.4	Low	61	Low	57 Å²	57	70.7 Å²	70.7	59%	0.588	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	7.8	177.7	0	0	0	0	0	116	C259 A265	C259-G263 PolarHBondContact O-N 3.5Å; G263-A265 PolarHBondContact O-N 3.05Å
264	K	58.6	Low	61.5	Low	122 Å²	122	71 Å²	71	53%	0.53	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	112.8	-176.6	-74.7	175	-176.2	161.2	0	111.3	C259 C262 F266	C259-K264 WeakPolarHBondContact CB-O 3.45Å; C259-K264 PolarHBondContact N-O 3.43Å; C262-K264 PolarHBondContact O-N 2.84Å; C262-K264 VanDerWaalsContact O-N 3.08Å; K264-F266 HydrophobicContact CB-CE2 3.73Å; K264-F266 HydrophobicContact CB-CZ 4.2Å; K264-F266 WeakPolarHBondContact O-CD2 3.2Å; K264-F266 WeakPolarHBondContact O-CE2 3.38Å
265	A	65.8	Low	62.2	Low	31 Å²	31	67.1 Å²	67.1	26%	0.256	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	130.4	178.4	0	0	0	0	0	112.5	K255 E258 G263	K255-A265 HydrophobicContact CB-CB 3.46Å; K255-A265 VanDerWaalsContact CB-CB 3.46Å; K255-A265 HydrophobicContact CD-CB 4Å; K255-A265 HydrophobicContact CG-CB 4.32Å; E258-A265 HydrophobicContact CG-CB 3.88Å; E258-A265 WeakPolarHBondContact OE1-CB 3.47Å; G263-A265 PolarHBondContact O-N 3.05Å
266	F	69.9	Low	62	Low	54 Å²	54	65.2 Å²	65.2	24%	0.237	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	148.3	176.7	-65.4	-92.7	0	0	0	111.8	K255 Y257 K264 L272 H275	K255-F266 CarbonylContact C-O 3.59Å; K255-F266 WeakPolarHBondContact CA-O 3.2Å; Y257-F266 WeakPolarHBondContact CB-O 3.15Å; Y257-F266 WeakPolarHBondContact CD2-O 3.47Å; Y257-F266 PolarHBondContact N-O 3.12Å; Y257-F266 WeakPolarHBondContact O-CB 3.46Å; Y257-F266 PolarHBondContact O-N 2.67Å; K264-F266 HydrophobicContact CB-CE2 3.73Å; K264-F266 HydrophobicContact CB-CZ 4.2Å; K264-F266 WeakPolarHBondContact O-CD2 3.2Å; K264-F266 WeakPolarHBondContact O-CE2 3.38Å; F266-L272 HydrophobicContact CB-CB 4.18Å; F266-L272 HydrophobicContact CD2-CB 4.18Å; F266-L272 HydrophobicContact CD2-CD1 3.98Å; F266-L272 HydrophobicContact CE2-CD1 4.43Å; F266-L272 HydrophobicContact CG-CB 4.32Å; F266-H275 HydrophobicContact CD2-CB 4.44Å; F266-H275 HydrophobicContact CE1-CB 3.92Å; F266-H275 HydrophobicContact CE2-CB 3.7Å; F266-H275 AromaticContact CE2-CD2 3.21Å; F266-H275 WeakPolarHBondContact CE2-CD2 3.42Å; F266-H275 AromaticContact CE2-CG 3.39Å; F266-H275 AromaticContact CE2-NE2 3.9Å; F266-H275 HydrophobicContact CZ-CB 3.4Å; F266-H275 VanDerWaalsContact CZ-CB 3.4Å; F266-H275 AromaticContact CZ-CD2 3.55Å; F266-H275 AromaticContact CZ-CG 3.21Å; F266-H275 AromaticContact CZ-ND1 3.68Å
267	R	58.2	Low	62.1	Low	62 Å²	62	64.7 Å²	64.7	23%	0.234	36%	0.356	C	S	.	.	S	Bend	trans	-89.1	-8.5	-176.9	172.1	-91.5	-160.5	68.6	0.5	114.1	Q246 H247 R249 E254 K255	Q246-R267 PolarHBondContact O-NE 2.75Å; Q246-R267 PolarHBondContact O-NH2 3.07Å; H247-R267 PolarHBondContact O-NH2 3.25Å; R249-R267 VanDerWaalsContact C-NH1 3.26Å; R249-R267 HydrophobicContact CB-CG 3.67Å; R249-R267 VanDerWaalsContact O-CZ 3.29Å; R249-R267 PolarHBondContact O-NH1 3Å; E254-R267 WeakPolarHBondContact O-CB 3.46Å; E254-R267 WeakPolarHBondContact O-CG 3.48Å; K255-R267 HydrophobicContact CG-CB 4.23Å
268	N	70.3	Confident	61.8	Low	53 Å²	53	66.2 Å²	66.2	28%	0.283	37%	0.368	S	S	.	.	S	Bend	trans	-142.1	149.3	166.9	60.6	23.3	0	0	0	112.2	Y257 S270 G271 L272	Y257-N268 VanDerWaalsContact CD2-CA 3.46Å; N268-S270 VanDerWaalsContact C-N 3.31Å; N268-S270 PolarHBondContact O-N 2.99Å; N268-G271 PolarHBondContact O-N 2.86Å; N268-G271 VanDerWaalsContact O-N 3.07Å; N268-G271 WeakPolarHBondContact OD1-CA 3.01Å; N268-G271 PolarHBondContact OD1-N 3.17Å; N268-L272 PolarHBondContact O-N 2.71Å
269	S	62.3	Low	61.7	Low	60 Å²	60	63.5 Å²	63.5	42%	0.42	36%	0.356	S	S	.	.	H	α-helix	trans	-65.1	-30.9	-176.7	56	0	0	0	0	113.4	G271 L272 R273	S269-G271 VanDerWaalsContact C-N 3.34Å; S269-L272 PolarHBondContact O-N 3.49Å; S269-R273 WeakPolarHBondContact O-CB 3.23Å; S269-R273 PolarHBondContact O-N 3.36Å
270	S	64.3	Low	61.3	Low	58 Å²	58	67.5 Å²	67.5	41%	0.406	38%	0.38	S	S	.	.	H	α-helix	trans	-67	-32.6	172.2	-71.9	0	0	0	0	112.8	N268 R273 V274	N268-S270 VanDerWaalsContact C-N 3.31Å; N268-S270 PolarHBondContact O-N 2.99Å; S270-R273 PolarHBondContact OG-NH2 3.43Å; S270-V274 WeakPolarHBondContact O-CG2 3.4Å; S270-V274 PolarHBondContact O-N 3.33Å
271	G	62.8	Low	61.4	Low	20 Å²	20	65.9 Å²	65.9	21%	0.206	36%	0.363	C	S	.	.	H	α-helix	trans	-64.6	-49.6	171.6	0	0	0	0	0	111.7	N268 S269 R273 V274 H275	N268-G271 PolarHBondContact O-N 2.86Å; N268-G271 VanDerWaalsContact O-N 3.07Å; N268-G271 WeakPolarHBondContact OD1-CA 3.01Å; N268-G271 PolarHBondContact OD1-N 3.17Å; S269-G271 VanDerWaalsContact C-N 3.34Å; G271-R273 VanDerWaalsContact C-N 3.32Å; G271-R273 PolarHBondContact O-N 3.3Å; G271-V274 PolarHBondContact O-N 2.7Å; G271-H275 WeakPolarHBondContact O-CB 3.5Å; G271-H275 PolarHBondContact O-N 3.35Å
272	L	68.6	Low	61.5	Low	28 Å²	28	65.7 Å²	65.7	15%	0.147	36%	0.362	C	S	.	.	H	α-helix	trans	-56.8	-44.1	173.9	175.7	61	0	0	0	112	E258 C259 F266 N268 S269 V274 H275 K276	E258-L272 WeakPolarHBondContact O-CD2 3.34Å; C259-L272 HydrophobicContact CB-CD1 3.52Å; F266-L272 HydrophobicContact CB-CB 4.18Å; F266-L272 HydrophobicContact CD2-CB 4.18Å; F266-L272 HydrophobicContact CD2-CD1 3.98Å; F266-L272 HydrophobicContact CE2-CD1 4.43Å; F266-L272 HydrophobicContact CG-CB 4.32Å; N268-L272 PolarHBondContact O-N 2.71Å; S269-L272 PolarHBondContact O-N 3.49Å; L272-V274 PolarHBondContact O-N 3.11Å; L272-H275 CarbonylContact O-C 3.58Å; L272-H275 WeakPolarHBondContact O-CA 2.99Å; L272-H275 WeakPolarHBondContact O-CB 3.37Å; L272-H275 PolarHBondContact O-N 3.07Å; L272-H275 VanDerWaalsContact O-N 3.11Å; L272-K276 HydrophobicContact CD1-CG 4.4Å; L272-K276 PolarHBondContact O-N 3.06Å
273	R	63.1	Low	62.1	Low	155 Å²	155	68.7 Å²	68.7	59%	0.585	37%	0.37	S	S	*	.	H	α-helix	trans	-64.5	-36.9	178.6	175	167.8	50.2	-176.5	-7.2	113.4	S269 S270 G271 H275	S269-R273 WeakPolarHBondContact O-CB 3.23Å; S269-R273 PolarHBondContact O-N 3.36Å; S270-R273 PolarHBondContact OG-NH2 3.43Å; G271-R273 VanDerWaalsContact C-N 3.32Å; G271-R273 PolarHBondContact O-N 3.3Å; R273-H275 VanDerWaalsContact C-N 3.34Å
274	V	62.9	Low	62.8	Low	48 Å²	48	69.4 Å²	69.4	29%	0.291	36%	0.364	S	S	.	.	H	α-helix	trans	-73.8	-29.5	172.1	172.8	0	0	0	0	111.1	S270 G271 L272	S270-V274 WeakPolarHBondContact O-CG2 3.4Å; S270-V274 PolarHBondContact O-N 3.33Å; G271-V274 PolarHBondContact O-N 2.7Å; L272-V274 PolarHBondContact O-N 3.11Å
275	H	67.8	Low	63.2	Low	14 Å²	14	67.3 Å²	67.3	7%	0.065	35%	0.353	C	S	.	.	H	α-helix	trans	-71.8	-40	175.9	172.3	60.9	0	0	0	113.5	C259 C262 F266 G271 L272 R273 R277 I278 H279	C259-H275 PolarHBondContact SG-CD2 3.25Å; C262-H275 PolarHBondContact SG-NE2 3.48Å; F266-H275 HydrophobicContact CD2-CB 4.44Å; F266-H275 HydrophobicContact CE1-CB 3.92Å; F266-H275 HydrophobicContact CE2-CB 3.7Å; F266-H275 AromaticContact CE2-CD2 3.21Å; F266-H275 WeakPolarHBondContact CE2-CD2 3.42Å; F266-H275 AromaticContact CE2-CG 3.39Å; F266-H275 AromaticContact CE2-NE2 3.9Å; F266-H275 HydrophobicContact CZ-CB 3.4Å; F266-H275 VanDerWaalsContact CZ-CB 3.4Å; F266-H275 AromaticContact CZ-CD2 3.55Å; F266-H275 AromaticContact CZ-CG 3.21Å; F266-H275 AromaticContact CZ-ND1 3.68Å; G271-H275 WeakPolarHBondContact O-CB 3.5Å; G271-H275 PolarHBondContact O-N 3.35Å; L272-H275 CarbonylContact O-C 3.58Å; L272-H275 WeakPolarHBondContact O-CA 2.99Å; L272-H275 WeakPolarHBondContact O-CB 3.37Å; L272-H275 PolarHBondContact O-N 3.07Å; L272-H275 VanDerWaalsContact O-N 3.11Å; R273-H275 VanDerWaalsContact C-N 3.34Å; H275-R277 PolarHBondContact O-N 2.92Å; H275-R277 VanDerWaalsContact O-N 3.14Å; H275-I278 VanDerWaalsContact O-CB 3.22Å; H275-I278 WeakPolarHBondContact O-CB 3.49Å; H275-I278 WeakPolarHBondContact O-CG1 3.11Å; H275-I278 PolarHBondContact O-N 3.13Å; H275-H279 AromaticContact CD2-NE2 3.85Å; H275-H279 AromaticContact CE1-CE1 3.73Å; H275-H279 AromaticContact CE1-NE2 3.51Å; H275-H279 AromaticContact NE2-CE1 3.7Å; H275-H279 AromaticContact NE2-NE2 3.08Å; H275-H279 PolarHBondContact NE2-NE2 2.69Å
276	K	63.3	Low	62.8	Low	80 Å²	80	71 Å²	71	35%	0.348	37%	0.365	S	S	.	.	H	α-helix	trans	-57	-29	177	-81.3	-176.1	160.9	-78.1	0	113.4	E261 L272 I278 H279 T280	E261-K276 IonicContact OE1-NZ 3.18Å; E261-K276 PolarHBondContact OE1-NZ 3.2Å; E261-K276 IonicContact OE2-NZ 3.75Å; E261-K276 PolarHBondContact OE2-NZ 2.82Å; L272-K276 HydrophobicContact CD1-CG 4.4Å; L272-K276 PolarHBondContact O-N 3.06Å; K276-I278 PolarHBondContact O-N 2.88Å; K276-I278 VanDerWaalsContact O-N 3.13Å; K276-H279 PolarHBondContact O-N 3.31Å; K276-T280 PolarHBondContact O-N 2.63Å; K276-T280 VanDerWaalsContact O-N 3.16Å
277	R	69.4	Low	62.7	Low	58 Å²	58	68.4 Å²	68.4	22%	0.219	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-12.9	171.5	-66.9	-178.9	173.7	162.9	-1.5	114.9	H275 T280 G281 E282 S295	H275-R277 PolarHBondContact O-N 2.92Å; H275-R277 VanDerWaalsContact O-N 3.14Å; R277-T280 WeakPolarHBondContact CA-OG1 3.39Å; R277-G281 CarbonylContact O-C 3.57Å; R277-G281 PolarHBondContact O-N 3.31Å; R277-E282 HydrophobicContact CB-CB 4.48Å; R277-E282 HydrophobicContact CG-CB 4.33Å; R277-E282 PolarHBondContact O-N 3.26Å; R277-S295 PolarHBondContact NH1-O 2.81Å
278	I	57.4	Low	62.9	Low	116 Å²	116	71.3 Å²	71.3	60%	0.595	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-31.5	172	-58.4	-179.3	0	0	0	110.5	H275 K276	H275-I278 VanDerWaalsContact O-CB 3.22Å; H275-I278 WeakPolarHBondContact O-CB 3.49Å; H275-I278 WeakPolarHBondContact O-CG1 3.11Å; H275-I278 PolarHBondContact O-N 3.13Å; K276-I278 PolarHBondContact O-N 2.88Å; K276-I278 VanDerWaalsContact O-N 3.13Å
279	H	54.2	Low	62.6	Low	74 Å²	74	73.6 Å²	73.6	34%	0.343	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-40.8	179.5	-51.2	-45.8	0	0	0	111.8	C259 E261 C262 H275 K276 G281	C259-H279 PolarHBondContact SG-NE2 2.99Å; C259-H279 VanDerWaalsContact SG-NE2 3.39Å; E261-H279 IonicContact OE2-CD2 2.65Å; E261-H279 PolarHBondContact OE2-CD2 3.36Å; C262-H279 PolarHBondContact SG-CE1 2.7Å; C262-H279 PolarHBondContact SG-NE2 3.43Å; C262-H279 VanDerWaalsContact SG-NE2 3.35Å; H275-H279 AromaticContact CD2-NE2 3.85Å; H275-H279 AromaticContact CE1-CE1 3.73Å; H275-H279 AromaticContact CE1-NE2 3.51Å; H275-H279 AromaticContact NE2-CE1 3.7Å; H275-H279 AromaticContact NE2-NE2 3.08Å; H275-H279 PolarHBondContact NE2-NE2 2.69Å; K276-H279 PolarHBondContact O-N 3.31Å; H279-G281 PolarHBondContact O-N 3.32Å
280	T	56.6	Low	62.3	Low	83 Å²	83	73 Å²	73	51%	0.509	38%	0.381	S	S	.	.	S	Bend	trans	-76	-9.6	174.1	63	0	0	0	0	113.6	K276 R277 E282	K276-T280 PolarHBondContact O-N 2.63Å; K276-T280 VanDerWaalsContact O-N 3.16Å; R277-T280 WeakPolarHBondContact CA-OG1 3.39Å; T280-E282 PolarHBondContact O-N 2.88Å; T280-E282 VanDerWaalsContact O-N 3.11Å; T280-E282 WeakPolarHBondContact OG1-CG 3.23Å
281	G	53.7	Low	61.8	Low	49 Å²	49	72.4 Å²	72.4	51%	0.505	38%	0.383	S	S	.	.			trans	71.9	-6.4	-177.4	0	0	0	0	0	115.4	R277 H279 K283	R277-G281 CarbonylContact O-C 3.57Å; R277-G281 PolarHBondContact O-N 3.31Å; H279-G281 PolarHBondContact O-N 3.32Å; G281-K283 PolarHBondContact O-N 3.2Å
282	E	55.6	Low	61.6	Low	105 Å²	105	77 Å²	77	49%	0.491	40%	0.398	S	S	.	.			trans	-58.5	128.2	-176.1	-70.9	179.2	162.8	0	0	113.4	R277 T280 P284	R277-E282 HydrophobicContact CB-CB 4.48Å; R277-E282 HydrophobicContact CG-CB 4.33Å; R277-E282 PolarHBondContact O-N 3.26Å; T280-E282 PolarHBondContact O-N 2.88Å; T280-E282 VanDerWaalsContact O-N 3.11Å; T280-E282 WeakPolarHBondContact OG1-CG 3.23Å; E282-P284 HydrophobicContact CB-CG 4.46Å
283	K	65.1	Low	61.1	Low	116 Å²	116	78.4 Å²	78.4	50%	0.504	41%	0.407	S	S	.	.			trans	-131.9	73.2	174.3	-65.6	168.8	-175.8	172.1	0	110.9	G281 Y285 T293 F294	G281-K283 PolarHBondContact O-N 3.2Å; K283-Y285 PolarHBondContact O-N 3.5Å; K283-T293 VanDerWaalsContact CD-OG1 3.28Å; K283-T293 WeakPolarHBondContact CD-OG1 3.3Å; K283-F294 CarbonylContact C-O 3.55Å; K283-F294 WeakPolarHBondContact CA-O 3.45Å
284	P	69.1	Low	61.2	Low	72 Å²	72	73.6 Å²	73.6	47%	0.468	39%	0.391	S	S	.	.			trans	-70.1	4.7	-166.6	-20.3	34.6	0	0	0	116.2	E282	E282-P284 HydrophobicContact CB-CG 4.46Å
285	Y	66.6	Low	60.8	Low	77 Å²	77	73.1 Å²	73.1	30%	0.302	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	88	-176.1	-55.5	-72.2	0	0	0	109.5	K283 F294 N296	K283-Y285 PolarHBondContact O-N 3.5Å; Y285-F294 WeakPolarHBondContact CD2-O 3.17Å; Y285-F294 PolarHBondContact N-O 2.65Å; Y285-F294 PolarHBondContact O-N 3.47Å; Y285-N296 VanDerWaalsContact CD2-CA 3.47Å
286	E	57.7	Low	60.9	Low	108 Å²	108	75.4 Å²	75.4	51%	0.505	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	153.7	176.4	-168.2	156.9	170.3	0	0	112.4	G291 K292 T293 L300	E286-G291 WeakPolarHBondContact OE1-CA 3.18Å; E286-K292 CarbonylContact C-O 3.54Å; E286-T293 HydrophobicContact CB-CG2 3.93Å; E286-T293 HydrophobicContact CG-CG2 3.82Å; E286-L300 VanDerWaalsContact O-CD1 3.27Å; E286-L300 WeakPolarHBondContact O-CD1 3.48Å; E286-L300 WeakPolarHBondContact O-CD2 3.43Å
287	C	68.3	Low	61	Low	0 Å²	0	74.6 Å²	74.6	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	98	171.2	-173.5	0	0	0	0	109.9	I289 C290 G291 K292 F294 L300 H303 H307	C287-I289 PolarHBondContact O-N 2.91Å; C287-C290 CarbonylContact O-C 3.59Å; C287-C290 PolarHBondContact O-N 3.16Å; C287-G291 PolarHBondContact O-N 3.48Å; C287-K292 HydrophobicContact CB-CB 4.4Å; C287-K292 WeakPolarHBondContact CB-O 3.49Å; C287-K292 PolarHBondContact N-O 2.79Å; C287-F294 HydrophobicContact CB-CE2 4.39Å; C287-L300 HydrophobicContact CB-CD1 3.54Å; C287-H303 VanDerWaalsContact SG-CD2 3.54Å; C287-H307 VanDerWaalsContact SG-CD2 3.56Å; C287-H307 PolarHBondContact SG-NE2 2.96Å; C287-H307 VanDerWaalsContact SG-NE2 3.37Å
288	D	62.3	Low	60.8	Low	123 Å²	123	74.7 Å²	74.7	66%	0.658	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.2	-21.6	178	15.9	-66.3	0	0	0	115.2	K304	D288-K304 IonicContact OD1-NZ 2.71Å; D288-K304 PolarHBondContact OD1-NZ 2.82Å; D288-K304 WeakPolarHBondContact OD2-CE 3.23Å; D288-K304 IonicContact OD2-NZ 2.65Å; D288-K304 PolarHBondContact OD2-NZ 3.3Å
289	I	64.5	Low	61.2	Low	101 Å²	101	70.3 Å²	70.3	52%	0.518	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-23.2	176.1	-58.3	170.4	0	0	0	113.4	C287 H307	C287-I289 PolarHBondContact O-N 2.91Å; I289-H307 HydrophobicContact CD1-CB 3.7Å; I289-H307 HydrophobicContact CG2-CB 4Å
290	C	55.4	Low	62	Low	49 Å²	49	67.8 Å²	67.8	33%	0.331	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.3	20.1	-174.8	81.4	0	0	0	0	116.9	C287 K292 H303 H307	C287-C290 CarbonylContact O-C 3.59Å; C287-C290 PolarHBondContact O-N 3.16Å; C290-K292 PolarHBondContact O-N 2.63Å; C290-K292 VanDerWaalsContact SG-CD 3.59Å; C290-H303 PolarHBondContact SG-NE2 2.88Å; C290-H303 VanDerWaalsContact SG-NE2 3.35Å; C290-H307 PolarHBondContact SG-CE1 2.62Å; C290-H307 PolarHBondContact SG-NE2 3.26Å; C290-H307 VanDerWaalsContact SG-NE2 3.38Å
291	G	53.5	Low	62.4	Low	45 Å²	45	71.7 Å²	71.7	46%	0.464	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	16.6	174.6	0	0	0	0	0	116.1	E286 C287	E286-G291 WeakPolarHBondContact OE1-CA 3.18Å; C287-G291 PolarHBondContact O-N 3.48Å
292	K	58.4	Low	63	Low	117 Å²	117	72.1 Å²	72.1	51%	0.509	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	118	-178.1	-76.4	177.4	-169.4	155	0	110.4	E286 C287 C290 F294	E286-K292 CarbonylContact C-O 3.54Å; C287-K292 HydrophobicContact CB-CB 4.4Å; C287-K292 WeakPolarHBondContact CB-O 3.49Å; C287-K292 PolarHBondContact N-O 2.79Å; C290-K292 PolarHBondContact O-N 2.63Å; C290-K292 VanDerWaalsContact SG-CD 3.59Å; K292-F294 HydrophobicContact CB-CE2 3.8Å; K292-F294 HydrophobicContact CB-CZ 4.18Å; K292-F294 VanDerWaalsContact O-CD2 3.27Å; K292-F294 WeakPolarHBondContact O-CD2 3.46Å; K292-F294 WeakPolarHBondContact O-CE2 3.46Å
293	T	58.3	Low	63.7	Low	56 Å²	56	68 Å²	68	34%	0.344	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	138.4	-177.7	54.4	0	0	0	0	112.2	K283 E286	K283-T293 VanDerWaalsContact CD-OG1 3.28Å; K283-T293 WeakPolarHBondContact CD-OG1 3.3Å; E286-T293 HydrophobicContact CB-CG2 3.93Å; E286-T293 HydrophobicContact CG-CG2 3.82Å
294	F	65.9	Low	63.9	Low	54 Å²	54	65.5 Å²	65.5	24%	0.237	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	149.3	-176.2	-63.2	-93.9	0	0	0	111.4	K283 Y285 C287 K292 N296 L300 H303	K283-F294 CarbonylContact C-O 3.55Å; K283-F294 WeakPolarHBondContact CA-O 3.45Å; Y285-F294 WeakPolarHBondContact CD2-O 3.17Å; Y285-F294 PolarHBondContact N-O 2.65Å; Y285-F294 PolarHBondContact O-N 3.47Å; C287-F294 HydrophobicContact CB-CE2 4.39Å; K292-F294 HydrophobicContact CB-CE2 3.8Å; K292-F294 HydrophobicContact CB-CZ 4.18Å; K292-F294 VanDerWaalsContact O-CD2 3.27Å; K292-F294 WeakPolarHBondContact O-CD2 3.46Å; K292-F294 WeakPolarHBondContact O-CE2 3.46Å; F294-N296 VanDerWaalsContact C-N 3.34Å; F294-L300 HydrophobicContact CB-CB 4.38Å; F294-L300 HydrophobicContact CD2-CB 4.09Å; F294-L300 HydrophobicContact CD2-CD1 4.01Å; F294-L300 HydrophobicContact CE2-CD1 4.25Å; F294-L300 HydrophobicContact CG-CB 4.35Å; F294-H303 HydrophobicContact CE1-CB 4.08Å; F294-H303 HydrophobicContact CE2-CB 3.91Å; F294-H303 AromaticContact CE2-CD2 3.32Å; F294-H303 WeakPolarHBondContact CE2-CD2 3.47Å; F294-H303 AromaticContact CE2-CG 3.74Å; F294-H303 HydrophobicContact CZ-CB 3.5Å; F294-H303 VanDerWaalsContact CZ-CB 3.5Å; F294-H303 AromaticContact CZ-CD2 3.37Å; F294-H303 WeakPolarHBondContact CZ-CD2 3.48Å; F294-H303 AromaticContact CZ-CG 3.34Å
295	S	54	Low	64.1	Low	38 Å²	38	64.4 Å²	64.4	27%	0.266	34%	0.343	S	S	.	.	S	Bend	trans	-80.9	-11.5	178	57.3	0	0	0	0	114	R277	R277-S295 PolarHBondContact NH1-O 2.81Å
296	N	70.5	Confident	63.8	Low	62 Å²	62	65.8 Å²	65.8	33%	0.332	36%	0.355	S	S	.	.	S	Bend	trans	-142.8	149.3	175.1	66	53.3	0	0	0	112.8	Y285 F294 S298 G299 L300	Y285-N296 VanDerWaalsContact CD2-CA 3.47Å; F294-N296 VanDerWaalsContact C-N 3.34Å; N296-S298 VanDerWaalsContact C-N 3.35Å; N296-S298 PolarHBondContact O-N 3.29Å; N296-G299 PolarHBondContact O-N 3.01Å; N296-G299 WeakPolarHBondContact OD1-CA 3.39Å; N296-G299 PolarHBondContact OD1-N 2.79Å; N296-L300 PolarHBondContact O-N 2.96Å
297	S	63.7	Low	64	Low	64 Å²	64	63.9 Å²	63.9	45%	0.448	35%	0.345	S	S	.	.	H	α-helix	trans	-68.9	-28.7	-176.7	54.6	0	0	0	0	113.7	L300 R301	S297-L300 PolarHBondContact O-N 2.79Å; S297-R301 WeakPolarHBondContact O-CB 3.47Å; S297-R301 PolarHBondContact O-N 2.96Å
298	S	67	Low	63.7	Low	60 Å²	60	67.8 Å²	67.8	42%	0.42	37%	0.369	S	S	.	.	H	α-helix	trans	-70.1	-34.4	176.9	-73.5	0	0	0	0	112.5	N296 R301 V302	N296-S298 VanDerWaalsContact C-N 3.35Å; N296-S298 PolarHBondContact O-N 3.29Å; S298-R301 PolarHBondContact O-N 3.23Å; S298-V302 WeakPolarHBondContact O-CG2 3.45Å; S298-V302 PolarHBondContact O-N 2.97Å
299	G	64.6	Low	63.5	Low	23 Å²	23	64.1 Å²	64.1	24%	0.237	36%	0.361	C	S	.	.	H	α-helix	trans	-65.2	-44.9	171.8	0	0	0	0	0	111.8	N296 R301 V302 H303	N296-G299 PolarHBondContact O-N 3.01Å; N296-G299 WeakPolarHBondContact OD1-CA 3.39Å; N296-G299 PolarHBondContact OD1-N 2.79Å; G299-R301 PolarHBondContact O-N 2.9Å; G299-V302 PolarHBondContact O-N 3.21Å; G299-H303 WeakPolarHBondContact O-CB 3.34Å; G299-H303 PolarHBondContact O-N 2.8Å
300	L	70.7	Confident	63.4	Low	22 Å²	22	63.5 Å²	63.5	12%	0.115	36%	0.356	C	S	.	.	H	α-helix	trans	-58.4	-46.5	171.8	173.8	62	0	0	0	111.8	E286 C287 F294 N296 S297 V302 H303 K304	E286-L300 VanDerWaalsContact O-CD1 3.27Å; E286-L300 WeakPolarHBondContact O-CD1 3.48Å; E286-L300 WeakPolarHBondContact O-CD2 3.43Å; C287-L300 HydrophobicContact CB-CD1 3.54Å; F294-L300 HydrophobicContact CB-CB 4.38Å; F294-L300 HydrophobicContact CD2-CB 4.09Å; F294-L300 HydrophobicContact CD2-CD1 4.01Å; F294-L300 HydrophobicContact CE2-CD1 4.25Å; F294-L300 HydrophobicContact CG-CB 4.35Å; N296-L300 PolarHBondContact O-N 2.96Å; S297-L300 PolarHBondContact O-N 2.79Å; L300-V302 PolarHBondContact O-N 2.95Å; L300-H303 CarbonylContact O-C 3.33Å; L300-H303 WeakPolarHBondContact O-CA 3.45Å; L300-H303 WeakPolarHBondContact O-CB 3.29Å; L300-H303 PolarHBondContact O-N 3.15Å; L300-K304 HydrophobicContact CD1-CG 4.12Å; L300-K304 PolarHBondContact O-N 2.92Å
301	R	65.1	Low	64	Low	165 Å²	165	66.7 Å²	66.7	62%	0.623	36%	0.364	S	S	*	.	H	α-helix	trans	-61.9	-40.7	179.2	-178.4	171.7	58.2	179.5	-3.9	112.7	S297 S298 G299 H303	S297-R301 WeakPolarHBondContact O-CB 3.47Å; S297-R301 PolarHBondContact O-N 2.96Å; S298-R301 PolarHBondContact O-N 3.23Å; G299-R301 PolarHBondContact O-N 2.9Å; R301-H303 VanDerWaalsContact C-N 3.31Å
302	V	65.9	Low	64.9	Low	58 Å²	58	67.8 Å²	67.8	35%	0.352	36%	0.363	S	S	.	.	H	α-helix	trans	-68.4	-32.5	172.6	170.7	0	0	0	0	111.4	S298 G299 L300 I323 T324	S298-V302 WeakPolarHBondContact O-CG2 3.45Å; S298-V302 PolarHBondContact O-N 2.97Å; G299-V302 PolarHBondContact O-N 3.21Å; L300-V302 PolarHBondContact O-N 2.95Å; V302-I323 HydrophobicContact CG1-CG2 4.46Å; V302-T324 HydrophobicContact CG1-CG2 3.59Å; V302-T324 HydrophobicContact CG2-CG2 4.45Å
303	H	71.3	Confident	65.2	Low	17 Å²	17	65.9 Å²	65.9	8%	0.079	35%	0.353	C	S	.	.	H	α-helix	trans	-70.8	-40.2	176.1	179.5	47.2	0	0	0	113.3	C287 C290 F294 G299 L300 R301 R305 I306 H307	C287-H303 VanDerWaalsContact SG-CD2 3.54Å; C290-H303 PolarHBondContact SG-NE2 2.88Å; C290-H303 VanDerWaalsContact SG-NE2 3.35Å; F294-H303 HydrophobicContact CE1-CB 4.08Å; F294-H303 HydrophobicContact CE2-CB 3.91Å; F294-H303 AromaticContact CE2-CD2 3.32Å; F294-H303 WeakPolarHBondContact CE2-CD2 3.47Å; F294-H303 AromaticContact CE2-CG 3.74Å; F294-H303 HydrophobicContact CZ-CB 3.5Å; F294-H303 VanDerWaalsContact CZ-CB 3.5Å; F294-H303 AromaticContact CZ-CD2 3.37Å; F294-H303 WeakPolarHBondContact CZ-CD2 3.48Å; F294-H303 AromaticContact CZ-CG 3.34Å; G299-H303 WeakPolarHBondContact O-CB 3.34Å; G299-H303 PolarHBondContact O-N 2.8Å; L300-H303 CarbonylContact O-C 3.33Å; L300-H303 WeakPolarHBondContact O-CA 3.45Å; L300-H303 WeakPolarHBondContact O-CB 3.29Å; L300-H303 PolarHBondContact O-N 3.15Å; R301-H303 VanDerWaalsContact C-N 3.31Å; H303-R305 PolarHBondContact O-N 2.85Å; H303-I306 VanDerWaalsContact O-CB 3.27Å; H303-I306 WeakPolarHBondContact O-CB 3.47Å; H303-I306 WeakPolarHBondContact O-CG1 3.49Å; H303-I306 PolarHBondContact O-N 3.28Å; H303-H307 AromaticContact CD2-NE2 3.91Å; H303-H307 AromaticContact CE1-CE1 3.89Å; H303-H307 AromaticContact CE1-NE2 3.46Å; H303-H307 PolarHBondContact CE1-NE2 3.27Å; H303-H307 AromaticContact NE2-CE1 3.88Å; H303-H307 AromaticContact NE2-NE2 3.15Å; H303-H307 PolarHBondContact NE2-NE2 3.42Å; H303-H307 VanDerWaalsContact NE2-NE2 3.15Å
304	K	68.8	Low	65.3	Low	64 Å²	64	68.5 Å²	68.5	28%	0.278	36%	0.361	S	S	.	.	H	α-helix	trans	-58	-31.1	178.9	-73.1	-163.3	179.2	-167.1	0	112.6	D288 L300 I306 H307 T308	D288-K304 IonicContact OD1-NZ 2.71Å; D288-K304 PolarHBondContact OD1-NZ 2.82Å; D288-K304 WeakPolarHBondContact OD2-CE 3.23Å; D288-K304 IonicContact OD2-NZ 2.65Å; D288-K304 PolarHBondContact OD2-NZ 3.3Å; L300-K304 HydrophobicContact CD1-CG 4.12Å; L300-K304 PolarHBondContact O-N 2.92Å; K304-I306 PolarHBondContact O-N 3.5Å; K304-H307 WeakPolarHBondContact O-CB 3.39Å; K304-H307 PolarHBondContact O-N 3.04Å; K304-T308 PolarHBondContact O-N 2.99Å
305	R	74.1	Confident	65.3	Low	50 Å²	50	65.9 Å²	65.9	19%	0.189	35%	0.35	C	S	.	.	H	α-helix	trans	-61	-22	171.8	-65.6	-171.5	172.3	156.2	0.6	115.6	H303 T308 G309 E310 I323	H303-R305 PolarHBondContact O-N 2.85Å; R305-T308 WeakPolarHBondContact CA-OG1 3.25Å; R305-G309 PolarHBondContact O-N 3.31Å; R305-G309 VanDerWaalsContact O-N 3.09Å; R305-E310 HydrophobicContact CB-CB 4.04Å; R305-E310 HydrophobicContact CG-CB 3.88Å; R305-E310 IonicContact NE-OE2 2.79Å; R305-E310 PolarHBondContact NE-OE2 2.78Å; R305-E310 PolarHBondContact O-N 3.4Å; R305-I323 HydrophobicContact CB-CG2 3.58Å; R305-I323 HydrophobicContact CG-CG2 4.41Å; R305-I323 PolarHBondContact NH1-O 2.95Å
306	I	60.7	Low	65.8	Low	106 Å²	106	70.3 Å²	70.3	54%	0.544	37%	0.371	S	S	.	.	H	α-helix	trans	-70.1	-27.8	173.4	-56.4	-178	0	0	0	110.4	H303 K304 I323	H303-I306 VanDerWaalsContact O-CB 3.27Å; H303-I306 WeakPolarHBondContact O-CB 3.47Å; H303-I306 WeakPolarHBondContact O-CG1 3.49Å; H303-I306 PolarHBondContact O-N 3.28Å; K304-I306 PolarHBondContact O-N 3.5Å; I306-I323 HydrophobicContact CG1-CD1 3.86Å
307	H	62.1	Low	65.4	Low	67 Å²	67	71.5 Å²	71.5	31%	0.31	37%	0.374	S	S	.	.	H	α-helix	trans	-89.8	-38.9	177.8	-54.3	-57.7	0	0	0	112.6	C287 I289 C290 H303 K304 G309	C287-H307 VanDerWaalsContact SG-CD2 3.56Å; C287-H307 PolarHBondContact SG-NE2 2.96Å; C287-H307 VanDerWaalsContact SG-NE2 3.37Å; I289-H307 HydrophobicContact CD1-CB 3.7Å; I289-H307 HydrophobicContact CG2-CB 4Å; C290-H307 PolarHBondContact SG-CE1 2.62Å; C290-H307 PolarHBondContact SG-NE2 3.26Å; C290-H307 VanDerWaalsContact SG-NE2 3.38Å; H303-H307 AromaticContact CD2-NE2 3.91Å; H303-H307 AromaticContact CE1-CE1 3.89Å; H303-H307 AromaticContact CE1-NE2 3.46Å; H303-H307 PolarHBondContact CE1-NE2 3.27Å; H303-H307 AromaticContact NE2-CE1 3.88Å; H303-H307 AromaticContact NE2-NE2 3.15Å; H303-H307 PolarHBondContact NE2-NE2 3.42Å; H303-H307 VanDerWaalsContact NE2-NE2 3.15Å; K304-H307 WeakPolarHBondContact O-CB 3.39Å; K304-H307 PolarHBondContact O-N 3.04Å; H307-G309 VanDerWaalsContact C-N 3.26Å; H307-G309 PolarHBondContact O-N 3.01Å
308	T	61.4	Low	65.3	Low	82 Å²	82	70.5 Å²	70.5	50%	0.503	37%	0.367	S	S	.	.	H	α-helix	trans	-77.8	-9.5	176.4	62.1	0	0	0	0	113.5	K304 R305 E310	K304-T308 PolarHBondContact O-N 2.99Å; R305-T308 WeakPolarHBondContact CA-OG1 3.25Å; T308-E310 WeakPolarHBondContact CB-OE1 3.46Å; T308-E310 PolarHBondContact O-N 3.19Å; T308-E310 VanDerWaalsContact OG1-CD 3.32Å; T308-E310 WeakPolarHBondContact OG1-CG 3.29Å; T308-E310 PolarHBondContact OG1-OE1 3Å
309	G	58.4	Low	65	Low	47 Å²	47	69.9 Å²	69.9	49%	0.485	37%	0.37	S	S	.	.			trans	74.8	-4.8	-177.4	0	0	0	0	0	114.7	R305 H307 K311	R305-G309 PolarHBondContact O-N 3.31Å; R305-G309 VanDerWaalsContact O-N 3.09Å; H307-G309 VanDerWaalsContact C-N 3.26Å; H307-G309 PolarHBondContact O-N 3.01Å; G309-K311 PolarHBondContact O-N 3.44Å
310	E	61.9	Low	64.9	Low	87 Å²	87	74.1 Å²	74.1	41%	0.407	38%	0.382	S	S	.	.			trans	-50.4	121.2	179.3	-83.7	169	-115.2	0	0	112.8	R305 T308 P312	R305-E310 HydrophobicContact CB-CB 4.04Å; R305-E310 HydrophobicContact CG-CB 3.88Å; R305-E310 IonicContact NE-OE2 2.79Å; R305-E310 PolarHBondContact NE-OE2 2.78Å; R305-E310 PolarHBondContact O-N 3.4Å; T308-E310 WeakPolarHBondContact CB-OE1 3.46Å; T308-E310 PolarHBondContact O-N 3.19Å; T308-E310 VanDerWaalsContact OG1-CD 3.32Å; T308-E310 WeakPolarHBondContact OG1-CG 3.29Å; T308-E310 PolarHBondContact OG1-OE1 3Å; E310-P312 HydrophobicContact CB-CG 4.37Å
311	K	67.8	Low	64.7	Low	116 Å²	116	74.6 Å²	74.6	50%	0.504	39%	0.389	S	S	.	.			trans	-127	70.6	175.3	-72.6	159.2	169.4	-177.1	0	111.1	G309 Y313 A321 F322 I323	G309-K311 PolarHBondContact O-N 3.44Å; K311-Y313 PolarHBondContact O-N 3.04Å; K311-A321 HydrophobicContact CB-CB 3.54Å; K311-A321 HydrophobicContact CD-CB 4.08Å; K311-A321 WeakPolarHBondContact CD-O 3.13Å; K311-A321 HydrophobicContact CG-CB 4.4Å; K311-F322 CarbonylContact C-O 3.54Å; K311-F322 WeakPolarHBondContact CA-O 3.45Å; K311-I323 HydrophobicContact CG-CG1 3.93Å
312	P	71.8	Confident	65	Low	68 Å²	68	69 Å²	69	44%	0.442	37%	0.37	S	S	.	.			trans	-74.9	17.4	-167.4	-16.4	33.7	0	0	0	115.5	E310	E310-P312 HydrophobicContact CB-CG 4.37Å
313	Y	65.4	Low	64.5	Low	78 Å²	78	68.3 Å²	68.3	31%	0.306	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	88.4	-174.2	-55.1	-76.5	0	0	0	108.9	K311 F322 I323 T324 C325	K311-Y313 PolarHBondContact O-N 3.04Å; Y313-F322 WeakPolarHBondContact CD2-O 3.47Å; Y313-F322 PolarHBondContact N-O 3.48Å; Y313-F322 PolarHBondContact O-N 2.62Å; Y313-I323 WeakPolarHBondContact CE2-O 3.33Å; Y313-T324 VanDerWaalsContact CD2-CA 3.42Å; Y313-C325 HydrophobicContact CD1-CB 3.71Å; Y313-C325 VanDerWaalsContact CD2-N 3.29Å; Y313-C325 HydrophobicContact CE1-CB 3.73Å; Y313-C325 HydrophobicContact CG-CB 4.21Å
314	E	60.1	Low	64.2	Low	110 Å²	110	69.1 Å²	69.1	51%	0.514	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	153.5	179.8	-162.6	158.5	162.5	0	0	112.6	G319 A321 L328	E314-G319 VanDerWaalsContact OE1-CA 3.3Å; E314-G319 WeakPolarHBondContact OE1-CA 3.38Å; E314-A321 HydrophobicContact CG-CB 4.37Å; E314-L328 VanDerWaalsContact O-CD1 3.29Å; E314-L328 WeakPolarHBondContact O-CD1 3.46Å; E314-L328 WeakPolarHBondContact O-CD2 3.26Å
315	C	65.6	Low	63.7	Low	0 Å²	0	69.5 Å²	69.5	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	102.1	174	-165.1	0	0	0	0	109	E317 C318 G319 K320 F322 L328 H335	C315-E317 PolarHBondContact O-N 2.85Å; C315-C318 PolarHBondContact O-N 3.14Å; C315-G319 PolarHBondContact O-N 3.09Å; C315-K320 HydrophobicContact CB-CB 4.41Å; C315-K320 WeakPolarHBondContact CB-O 3.26Å; C315-K320 PolarHBondContact N-O 3.26Å; C315-F322 HydrophobicContact CB-CE2 4.4Å; C315-L328 HydrophobicContact CB-CD1 3.58Å; C315-H335 VanDerWaalsContact SG-CD2 3.54Å
316	D	65	Low	62.9	Low	131 Å²	131	74.2 Å²	74.2	70%	0.701	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-27	-176.2	-34.7	-76.1	0	0	0	112.7	K332	D316-K332 WeakPolarHBondContact OD2-CE 3.37Å; D316-K332 IonicContact OD2-NZ 3.81Å; D316-K332 PolarHBondContact OD2-NZ 2.77Å
317	E	61.6	Low	62.8	Low	86 Å²	86	72 Å²	72	40%	0.402	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-11.3	-177.8	-62.2	160	138.3	0	0	114	C315 H335 F336	C315-E317 PolarHBondContact O-N 2.85Å; E317-H335 IonicContact OE2-CD2 3.9Å; E317-H335 PolarHBondContact OE2-CD2 3.08Å; E317-H335 VanDerWaalsContact OE2-CD2 3.3Å; E317-H335 IonicContact OE2-CG 2.92Å; E317-F336 WeakPolarHBondContact OE1-CE2 3.48Å; E317-F336 VanDerWaalsContact OE1-CZ 3.23Å; E317-F336 WeakPolarHBondContact OE1-CZ 3.25Å
318	C	63.2	Low	62.9	Low	43 Å²	43	69.9 Å²	69.9	29%	0.291	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.6	12.8	-179.3	73.3	0	0	0	0	117.3	C315 K320 H331 H335	C315-C318 PolarHBondContact O-N 3.14Å; C318-K320 PolarHBondContact O-N 3.08Å; C318-H331 PolarHBondContact SG-NE2 3.29Å; C318-H335 WeakPolarHBondContact CB-NE2 3.42Å; C318-H335 PolarHBondContact SG-NE2 3.23Å
319	G	59.8	Low	62.7	Low	48 Å²	48	70.9 Å²	70.9	50%	0.495	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	15.2	177.5	0	0	0	0	0	115.4	E314 C315 A321	E314-G319 VanDerWaalsContact OE1-CA 3.3Å; E314-G319 WeakPolarHBondContact OE1-CA 3.38Å; C315-G319 PolarHBondContact O-N 3.09Å; G319-A321 PolarHBondContact O-N 2.97Å
320	K	61.6	Low	62.8	Low	111 Å²	111	71.1 Å²	71.1	48%	0.483	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	110.7	-177.1	-74.2	174.6	-172.7	149.7	0	110.9	C315 C318 F322	C315-K320 HydrophobicContact CB-CB 4.41Å; C315-K320 WeakPolarHBondContact CB-O 3.26Å; C315-K320 PolarHBondContact N-O 3.26Å; C318-K320 PolarHBondContact O-N 3.08Å; K320-F322 HydrophobicContact CB-CE2 3.75Å; K320-F322 HydrophobicContact CB-CZ 4.07Å; K320-F322 WeakPolarHBondContact O-CD2 3.07Å; K320-F322 WeakPolarHBondContact O-CE2 3.12Å
321	A	67.9	Low	62.9	Low	32 Å²	32	68 Å²	68	26%	0.264	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	134.6	179.3	0	0	0	0	0	113.4	K311 E314 G319	K311-A321 HydrophobicContact CB-CB 3.54Å; K311-A321 HydrophobicContact CD-CB 4.08Å; K311-A321 WeakPolarHBondContact CD-O 3.13Å; K311-A321 HydrophobicContact CG-CB 4.4Å; E314-A321 HydrophobicContact CG-CB 4.37Å; G319-A321 PolarHBondContact O-N 2.97Å
322	F	70.4	Confident	62.5	Low	49 Å²	49	64.9 Å²	64.9	22%	0.215	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	153.3	-176.9	-64.1	-88.8	0	0	0	113.4	K311 Y313 C315 K320 T324 L328 H331	K311-F322 CarbonylContact C-O 3.54Å; K311-F322 WeakPolarHBondContact CA-O 3.45Å; Y313-F322 WeakPolarHBondContact CD2-O 3.47Å; Y313-F322 PolarHBondContact N-O 3.48Å; Y313-F322 PolarHBondContact O-N 2.62Å; C315-F322 HydrophobicContact CB-CE2 4.4Å; K320-F322 HydrophobicContact CB-CE2 3.75Å; K320-F322 HydrophobicContact CB-CZ 4.07Å; K320-F322 WeakPolarHBondContact O-CD2 3.07Å; K320-F322 WeakPolarHBondContact O-CE2 3.12Å; F322-T324 PolarHBondContact O-N 2.85Å; F322-L328 HydrophobicContact CB-CB 4.29Å; F322-L328 HydrophobicContact CD2-CB 4.15Å; F322-L328 HydrophobicContact CD2-CD1 3.95Å; F322-L328 HydrophobicContact CE2-CD1 4.31Å; F322-L328 HydrophobicContact CG-CB 4.43Å; F322-H331 HydrophobicContact CE1-CB 4.09Å; F322-H331 HydrophobicContact CE2-CB 3.75Å; F322-H331 AromaticContact CE2-CD2 3.25Å; F322-H331 WeakPolarHBondContact CE2-CD2 3.48Å; F322-H331 AromaticContact CE2-CG 3.58Å; F322-H331 HydrophobicContact CZ-CB 3.49Å; F322-H331 VanDerWaalsContact CZ-CB 3.49Å; F322-H331 AromaticContact CZ-CD2 3.35Å; F322-H331 WeakPolarHBondContact CZ-CD2 3.46Å; F322-H331 AromaticContact CZ-CG 3.27Å; F322-H331 AromaticContact CZ-ND1 3.89Å; F322-H331 AromaticContact CZ-NE2 3.95Å
323	I	55.3	Low	61.8	Low	42 Å²	42	62.9 Å²	62.9	22%	0.215	33%	0.331	C	S	.	.	S	Bend	trans	-75.7	-23.6	-176.6	-59	-178.1	0	0	0	112.6	V302 R305 I306 K311 Y313	V302-I323 HydrophobicContact CG1-CG2 4.46Å; R305-I323 HydrophobicContact CB-CG2 3.58Å; R305-I323 HydrophobicContact CG-CG2 4.41Å; R305-I323 PolarHBondContact NH1-O 2.95Å; I306-I323 HydrophobicContact CG1-CD1 3.86Å; K311-I323 HydrophobicContact CG-CG1 3.93Å; Y313-I323 WeakPolarHBondContact CE2-O 3.33Å
324	T	66.5	Low	61.4	Low	35 Å²	35	64.6 Å²	64.6	22%	0.215	34%	0.344	C	S	.	.	S	Bend	trans	-137.3	147.7	177.7	77.6	0	0	0	0	112.8	V302 Y313 F322 R326 T327 L328	V302-T324 HydrophobicContact CG1-CG2 3.59Å; V302-T324 HydrophobicContact CG2-CG2 4.45Å; Y313-T324 VanDerWaalsContact CD2-CA 3.42Å; F322-T324 PolarHBondContact O-N 2.85Å; T324-R326 PolarHBondContact O-N 2.95Å; T324-T327 PolarHBondContact N-OG1 3.06Å; T324-T327 PolarHBondContact O-N 3.41Å; T324-T327 VanDerWaalsContact O-N 3.08Å; T324-T327 PolarHBondContact O-OG1 3.35Å; T324-T327 PolarHBondContact OG1-N 2.85Å; T324-T327 VanDerWaalsContact OG1-N 3.13Å; T324-T327 PolarHBondContact OG1-OG1 3.09Å; T324-L328 PolarHBondContact O-N 3.08Å
325	C	56.3	Low	61.3	Low	72 Å²	72	63.2 Å²	63.2	49%	0.486	34%	0.338	S	S	.	.	H	α-helix	trans	-55.7	-37	172.3	175.1	0	0	0	0	112.3	Y313 T327 L328 L329	Y313-C325 HydrophobicContact CD1-CB 3.71Å; Y313-C325 VanDerWaalsContact CD2-N 3.29Å; Y313-C325 HydrophobicContact CE1-CB 3.73Å; Y313-C325 HydrophobicContact CG-CB 4.21Å; C325-T327 VanDerWaalsContact C-N 3.35Å; C325-T327 PolarHBondContact O-N 3.48Å; C325-L328 PolarHBondContact O-N 3.16Å; C325-L329 WeakPolarHBondContact O-CB 3.47Å; C325-L329 PolarHBondContact O-N 2.89Å
326	R	58.8	Low	60.8	Low	149 Å²	149	69.7 Å²	69.7	56%	0.562	37%	0.366	S	S	*	.	H	α-helix	trans	-65.8	-36.9	177.2	-173.4	61.2	-171.5	-156.6	0	112.4	T324 N330	T324-R326 PolarHBondContact O-N 2.95Å; R326-N330 PolarHBondContact NE-OD1 2.92Å; R326-N330 VanDerWaalsContact O-CB 3.29Å; R326-N330 WeakPolarHBondContact O-CB 2.98Å; R326-N330 PolarHBondContact O-N 3.01Å; R326-N330 PolarHBondContact O-OD1 3.49Å; R326-N330 VanDerWaalsContact O-OD1 3.1Å
327	T	58.3	Low	60.1	Low	59 Å²	59	66 Å²	66	36%	0.362	36%	0.359	S	S	.	.	H	α-helix	trans	-69.8	-33.2	173.7	40.9	0	0	0	0	112.9	T324 C325 H331	T324-T327 PolarHBondContact N-OG1 3.06Å; T324-T327 PolarHBondContact O-N 3.41Å; T324-T327 VanDerWaalsContact O-N 3.08Å; T324-T327 PolarHBondContact O-OG1 3.35Å; T324-T327 PolarHBondContact OG1-N 2.85Å; T324-T327 VanDerWaalsContact OG1-N 3.13Å; T324-T327 PolarHBondContact OG1-OG1 3.09Å; C325-T327 VanDerWaalsContact C-N 3.35Å; C325-T327 PolarHBondContact O-N 3.48Å; T327-H331 WeakPolarHBondContact O-CB 3.34Å; T327-H331 PolarHBondContact O-N 2.78Å; T327-H331 VanDerWaalsContact O-N 3.1Å
328	L	63.3	Low	59.7	Low	23 Å²	23	67.4 Å²	67.4	12%	0.12	37%	0.369	C	S	.	.	H	α-helix	trans	-66	-49.3	171.2	170.6	62.6	0	0	0	111.7	E314 C315 F322 T324 C325 N330 H331 K332	E314-L328 VanDerWaalsContact O-CD1 3.29Å; E314-L328 WeakPolarHBondContact O-CD1 3.46Å; E314-L328 WeakPolarHBondContact O-CD2 3.26Å; C315-L328 HydrophobicContact CB-CD1 3.58Å; F322-L328 HydrophobicContact CB-CB 4.29Å; F322-L328 HydrophobicContact CD2-CB 4.15Å; F322-L328 HydrophobicContact CD2-CD1 3.95Å; F322-L328 HydrophobicContact CE2-CD1 4.31Å; F322-L328 HydrophobicContact CG-CB 4.43Å; T324-L328 PolarHBondContact O-N 3.08Å; C325-L328 PolarHBondContact O-N 3.16Å; L328-N330 VanDerWaalsContact C-N 3.3Å; L328-N330 PolarHBondContact O-N 3.27Å; L328-H331 CarbonylContact O-C 3.58Å; L328-H331 WeakPolarHBondContact O-CA 3.27Å; L328-H331 WeakPolarHBondContact O-CB 3.19Å; L328-H331 PolarHBondContact O-N 2.77Å; L328-K332 HydrophobicContact CD1-CG 4.2Å; L328-K332 PolarHBondContact O-N 3.27Å
329	L	58.7	Low	59.4	Low	102 Å²	102	70.1 Å²	70.1	53%	0.534	38%	0.376	S	S	.	.	H	α-helix	trans	-60	-41.9	178.8	-174.2	68.6	0	0	0	111.5	C325 H331 K332 S333	C325-L329 WeakPolarHBondContact O-CB 3.47Å; C325-L329 PolarHBondContact O-N 2.89Å; L329-H331 PolarHBondContact O-N 3.35Å; L329-K332 PolarHBondContact O-N 2.63Å; L329-S333 PolarHBondContact O-N 3.25Å
330	N	59	Low	59.4	Low	52 Å²	52	71.8 Å²	71.8	28%	0.278	38%	0.378	S	S	.	.	H	α-helix	trans	-60.9	-29.8	171.7	-72.4	8.1	0	0	0	112.3	R326 L328 S333 Y352	R326-N330 PolarHBondContact NE-OD1 2.92Å; R326-N330 VanDerWaalsContact O-CB 3.29Å; R326-N330 WeakPolarHBondContact O-CB 2.98Å; R326-N330 PolarHBondContact O-N 3.01Å; R326-N330 PolarHBondContact O-OD1 3.49Å; R326-N330 VanDerWaalsContact O-OD1 3.1Å; L328-N330 VanDerWaalsContact C-N 3.3Å; L328-N330 PolarHBondContact O-N 3.27Å; N330-S333 PolarHBondContact O-OG 3.35Å; N330-Y352 WeakPolarHBondContact CB-OH 3.24Å; N330-Y352 PolarHBondContact ND2-OH 2.92Å; N330-Y352 PolarHBondContact OD1-OH 3.19Å
331	H	65	Low	59.4	Low	23 Å²	23	71 Å²	71	11%	0.106	37%	0.373	C	S	.	.	H	α-helix	trans	-80.5	-40.5	177.4	179.9	54.6	0	0	0	113.3	C318 F322 T327 L328 L329 S333 I334 H335	C318-H331 PolarHBondContact SG-NE2 3.29Å; F322-H331 HydrophobicContact CE1-CB 4.09Å; F322-H331 HydrophobicContact CE2-CB 3.75Å; F322-H331 AromaticContact CE2-CD2 3.25Å; F322-H331 WeakPolarHBondContact CE2-CD2 3.48Å; F322-H331 AromaticContact CE2-CG 3.58Å; F322-H331 HydrophobicContact CZ-CB 3.49Å; F322-H331 VanDerWaalsContact CZ-CB 3.49Å; F322-H331 AromaticContact CZ-CD2 3.35Å; F322-H331 WeakPolarHBondContact CZ-CD2 3.46Å; F322-H331 AromaticContact CZ-CG 3.27Å; F322-H331 AromaticContact CZ-ND1 3.89Å; F322-H331 AromaticContact CZ-NE2 3.95Å; T327-H331 WeakPolarHBondContact O-CB 3.34Å; T327-H331 PolarHBondContact O-N 2.78Å; T327-H331 VanDerWaalsContact O-N 3.1Å; L328-H331 CarbonylContact O-C 3.58Å; L328-H331 WeakPolarHBondContact O-CA 3.27Å; L328-H331 WeakPolarHBondContact O-CB 3.19Å; L328-H331 PolarHBondContact O-N 2.77Å; L329-H331 PolarHBondContact O-N 3.35Å; H331-S333 PolarHBondContact O-N 3.35Å; H331-S333 VanDerWaalsContact O-N 3.14Å; H331-I334 VanDerWaalsContact O-CB 3.26Å; H331-I334 WeakPolarHBondContact O-CB 3.18Å; H331-I334 WeakPolarHBondContact O-CG1 3.49Å; H331-I334 PolarHBondContact O-N 3.19Å; H331-H335 AromaticContact NE2-NE2 3.94Å
332	K	60	Low	59.2	Low	49 Å²	49	76.1 Å²	76.1	21%	0.213	39%	0.389	C	S	.	.	H	α-helix	trans	-56.6	-30.2	175.8	-71.5	-157.4	169.5	-155.9	0	112.9	D316 L328 L329 I334 H335 F336	D316-K332 WeakPolarHBondContact OD2-CE 3.37Å; D316-K332 IonicContact OD2-NZ 3.81Å; D316-K332 PolarHBondContact OD2-NZ 2.77Å; L328-K332 HydrophobicContact CD1-CG 4.2Å; L328-K332 PolarHBondContact O-N 3.27Å; L329-K332 PolarHBondContact O-N 2.63Å; K332-I334 PolarHBondContact O-N 3.21Å; K332-H335 PolarHBondContact O-N 2.8Å; K332-F336 PolarHBondContact O-N 3.39Å
333	S	56.6	Low	59.1	Low	26 Å²	26	74.1 Å²	74.1	18%	0.182	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	5.8	170.2	77.9	0	0	0	0	115.9	L329 N330 H331 N351	L329-S333 PolarHBondContact O-N 3.25Å; N330-S333 PolarHBondContact O-OG 3.35Å; H331-S333 PolarHBondContact O-N 3.35Å; H331-S333 VanDerWaalsContact O-N 3.14Å; S333-N351 PolarHBondContact O-ND2 3.07Å; S333-N351 PolarHBondContact OG-ND2 3.12Å
334	I	57.3	Low	59.4	Low	114 Å²	114	78.2 Å²	78.2	59%	0.585	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-30.6	169.1	-57.5	-179.3	0	0	0	111.2	H331 K332	H331-I334 VanDerWaalsContact O-CB 3.26Å; H331-I334 WeakPolarHBondContact O-CB 3.18Å; H331-I334 WeakPolarHBondContact O-CG1 3.49Å; H331-I334 PolarHBondContact O-N 3.19Å; K332-I334 PolarHBondContact O-N 3.21Å
335	H	56.9	Low	59.2	Low	82 Å²	82	81.3 Å²	81.3	38%	0.38	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-46.5	-177.7	-60	-53.1	0	0	0	112.3	C315 E317 C318 H331 K332 G337	C315-H335 VanDerWaalsContact SG-CD2 3.54Å; E317-H335 IonicContact OE2-CD2 3.9Å; E317-H335 PolarHBondContact OE2-CD2 3.08Å; E317-H335 VanDerWaalsContact OE2-CD2 3.3Å; E317-H335 IonicContact OE2-CG 2.92Å; C318-H335 WeakPolarHBondContact CB-NE2 3.42Å; C318-H335 PolarHBondContact SG-NE2 3.23Å; H331-H335 AromaticContact NE2-NE2 3.94Å; K332-H335 PolarHBondContact O-N 2.8Å; H335-G337 PolarHBondContact O-N 2.92Å; H335-G337 VanDerWaalsContact O-N 3.11Å
336	F	54.5	Low	59.2	Low	136 Å²	136	79.2 Å²	79.2	60%	0.596	40%	0.401	S	S	*	.	S	Bend	trans	-67.6	-9.6	-178.1	-77.3	-86.5	0	0	0	114.9	E317 K332 D338	E317-F336 WeakPolarHBondContact OE1-CE2 3.48Å; E317-F336 VanDerWaalsContact OE1-CZ 3.23Å; E317-F336 WeakPolarHBondContact OE1-CZ 3.25Å; K332-F336 PolarHBondContact O-N 3.39Å; F336-D338 PolarHBondContact O-N 2.78Å
337	G	50.9	Low	59.2	Low	54 Å²	54	81.2 Å²	81.2	56%	0.557	42%	0.417	S	S	*	.			trans	69.4	-28.6	-175.2	0	0	0	0	0	114.8	H335 K339	H335-G337 PolarHBondContact O-N 2.92Å; H335-G337 VanDerWaalsContact O-N 3.11Å; G337-K339 PolarHBondContact O-N 3.22Å
338	D	52.5	Low	59.2	Low	114 Å²	114	84.2 Å²	84.2	61%	0.61	43%	0.425	S	S	*	.			trans	-58.8	102.3	179.8	-90.3	-29.1	0	0	0	112.6	F336 P340	F336-D338 PolarHBondContact O-N 2.78Å; D338-P340 VanDerWaalsContact O-CD 3.31Å; D338-P340 WeakPolarHBondContact O-CD 3.45Å
339	K	58.2	Low	59	Low	100 Å²	100	84.5 Å²	84.5	44%	0.435	43%	0.429	S	S	.	.			trans	-93.9	92.3	158.1	-76.9	145.7	165.9	178.1	0	106.7	G337 Y341 S349 F350 N351	G337-K339 PolarHBondContact O-N 3.22Å; K339-Y341 PolarHBondContact O-N 3.33Å; K339-Y341 VanDerWaalsContact O-N 3.09Å; K339-S349 VanDerWaalsContact CB-CB 3.47Å; K339-S349 VanDerWaalsContact CD-O 3.26Å; K339-S349 WeakPolarHBondContact CD-O 3.4Å; K339-S349 WeakPolarHBondContact CG-O 3.21Å; K339-F350 CarbonylContact C-O 3.42Å; K339-F350 WeakPolarHBondContact CA-O 3.31Å; K339-N351 WeakPolarHBondContact CG-OD1 3.4Å
340	P	60.2	Low	59.5	Low	83 Å²	83	81.7 Å²	81.7	54%	0.539	41%	0.413	S	S	.	.			trans	-69.1	-17.6	-166.9	-17.5	32.9	0	0	0	112.5	D338	D338-P340 VanDerWaalsContact O-CD 3.31Å; D338-P340 WeakPolarHBondContact O-CD 3.45Å
341	Y	60.8	Low	59.2	Low	94 Å²	94	81.4 Å²	81.4	37%	0.369	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	75.3	-174.8	-52.8	-74.4	0	0	0	109	K339 F350 Y352	K339-Y341 PolarHBondContact O-N 3.33Å; K339-Y341 VanDerWaalsContact O-N 3.09Å; Y341-F350 WeakPolarHBondContact CB-O 3.42Å; Y341-F350 PolarHBondContact N-O 3.14Å; Y341-F350 PolarHBondContact O-N 3.02Å; Y341-Y352 VanDerWaalsContact CD2-CA 3.43Å
342	K	62.9	Low	59	Low	141 Å²	141	83.3 Å²	83.3	61%	0.613	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	152.3	171.9	-51.3	-160.4	177.8	175.7	0	110.1	S349 L356	K342-S349 WeakPolarHBondContact CG-OG 3.33Å; K342-L356 VanDerWaalsContact O-CD1 3.29Å; K342-L356 WeakPolarHBondContact O-CD1 3.47Å; K342-L356 WeakPolarHBondContact O-CD2 3.24Å
343	C	68.6	Low	58.8	Low	7 Å²	7	83.6 Å²	83.6	5%	0.047	43%	0.426	C	S	.	.			trans	-104.5	129.4	171.5	-168.2	0	0	0	0	109.6	E345 C346 K348 L356 H359	C343-E345 VanDerWaalsContact C-N 3.29Å; C343-E345 PolarHBondContact O-N 3.47Å; C343-C346 CarbonylContact C-O 3.38Å; C343-C346 WeakPolarHBondContact CB-O 3.13Å; C343-C346 CarbonylContact O-C 3.51Å; C343-K348 WeakPolarHBondContact CB-O 3.2Å; C343-K348 PolarHBondContact N-O 3.04Å; C343-L356 HydrophobicContact CB-CD1 3.52Å; C343-H359 VanDerWaalsContact SG-CD2 3.51Å
344	D	62.4	Low	58.9	Low	127 Å²	127	86 Å²	86	68%	0.679	44%	0.442	S	S	*	.	S	Bend	trans	-76.5	-24.4	-171.2	-37.8	-78	0	0	0	111.3	K360	D344-K360 VanDerWaalsContact OD2-CE 3.22Å; D344-K360 WeakPolarHBondContact OD2-CE 3.22Å; D344-K360 IonicContact OD2-NZ 3.58Å; D344-K360 PolarHBondContact OD2-NZ 3Å
345	E	62.6	Low	59.1	Low	100 Å²	100	84 Å²	84	47%	0.467	43%	0.432	S	S	.	.	S	Bend	trans	-93.2	-12.3	-178.7	-63.8	164.5	-85.6	0	0	113.7	C343 H363	C343-E345 VanDerWaalsContact C-N 3.29Å; C343-E345 PolarHBondContact O-N 3.47Å; E345-H363 HydrophobicContact CB-CB 4.14Å; E345-H363 HydrophobicContact CG-CB 4.45Å; E345-H363 IonicContact OE1-CD2 3.82Å; E345-H363 WeakPolarHBondContact OE2-CB 3.38Å; E345-H363 IonicContact OE2-CG 3.31Å
346	C	55.3	Low	59.4	Low	29 Å²	29	81.1 Å²	81.1	20%	0.196	42%	0.42	C	S	.	.	S	Bend	trans	-161.5	146.5	159.8	80.9	0	0	0	0	111.1	C343 K348 H359 H363	C343-C346 CarbonylContact C-O 3.38Å; C343-C346 WeakPolarHBondContact CB-O 3.13Å; C343-C346 CarbonylContact O-C 3.51Å; C346-K348 PolarHBondContact O-N 3.19Å; C346-H359 PolarHBondContact SG-NE2 3.13Å; C346-H359 VanDerWaalsContact SG-NE2 3.39Å; C346-H363 WeakPolarHBondContact CB-NE2 3.36Å; C346-H363 PolarHBondContact SG-NE2 3.47Å
347	E	59.9	Low	59.9	Low	190 Å²	190	80 Å²	80	89%	0.888	42%	0.419	S	S	*	.	S	Bend	trans	-56.1	-2.8	-170.2	-55.3	171.8	146.1	0	0	116.6	S349	E347-S349 PolarHBondContact O-N 2.8Å; E347-S349 VanDerWaalsContact O-N 3.13Å; E347-S349 PolarHBondContact O-OG 2.78Å
348	K	57.1	Low	60.4	Low	123 Å²	123	80.4 Å²	80.4	54%	0.535	41%	0.406	S	S	.	.			trans	-62.9	115	174.8	-63.5	-172.9	-172.3	88.9	0	109.9	C343 C346 F350	C343-K348 WeakPolarHBondContact CB-O 3.2Å; C343-K348 PolarHBondContact N-O 3.04Å; C346-K348 PolarHBondContact O-N 3.19Å; K348-F350 HydrophobicContact CB-CE2 3.86Å; K348-F350 HydrophobicContact CB-CZ 4.03Å; K348-F350 WeakPolarHBondContact O-CE2 3.19Å
349	S	60	Low	61.2	Low	29 Å²	29	75.3 Å²	75.3	20%	0.203	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	143	179.8	-53.9	0	0	0	0	110.9	K339 K342 E347	K339-S349 VanDerWaalsContact CB-CB 3.47Å; K339-S349 VanDerWaalsContact CD-O 3.26Å; K339-S349 WeakPolarHBondContact CD-O 3.4Å; K339-S349 WeakPolarHBondContact CG-O 3.21Å; K342-S349 WeakPolarHBondContact CG-OG 3.33Å; E347-S349 PolarHBondContact O-N 2.8Å; E347-S349 VanDerWaalsContact O-N 3.13Å; E347-S349 PolarHBondContact O-OG 2.78Å
350	F	67.6	Low	61.4	Low	43 Å²	43	74 Å²	74	19%	0.189	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	150	-170.9	-60.9	-94.1	0	0	0	113.2	K339 Y341 K348 Y352 L355 L356 H359	K339-F350 CarbonylContact C-O 3.42Å; K339-F350 WeakPolarHBondContact CA-O 3.31Å; Y341-F350 WeakPolarHBondContact CB-O 3.42Å; Y341-F350 PolarHBondContact N-O 3.14Å; Y341-F350 PolarHBondContact O-N 3.02Å; K348-F350 HydrophobicContact CB-CE2 3.86Å; K348-F350 HydrophobicContact CB-CZ 4.03Å; K348-F350 WeakPolarHBondContact O-CE2 3.19Å; F350-Y352 VanDerWaalsContact C-N 3.3Å; F350-Y352 PolarHBondContact O-N 3.01Å; F350-L355 HydrophobicContact CB-CB 4.23Å; F350-L355 HydrophobicContact CD1-CB 3.89Å; F350-L355 HydrophobicContact CG-CB 4.31Å; F350-L356 HydrophobicContact CB-CB 4.48Å; F350-L356 HydrophobicContact CD2-CB 4.38Å; F350-L356 HydrophobicContact CD2-CD1 4.23Å; F350-H359 HydrophobicContact CD2-CB 4.46Å; F350-H359 HydrophobicContact CE1-CB 4.25Å; F350-H359 HydrophobicContact CE2-CB 3.79Å; F350-H359 AromaticContact CE2-CD2 3.11Å; F350-H359 WeakPolarHBondContact CE2-CD2 3.41Å; F350-H359 AromaticContact CE2-CG 3.52Å; F350-H359 AromaticContact CE2-NE2 3.86Å; F350-H359 HydrophobicContact CZ-CB 3.65Å; F350-H359 AromaticContact CZ-CD2 3.4Å; F350-H359 WeakPolarHBondContact CZ-CD2 3.43Å; F350-H359 AromaticContact CZ-CG 3.37Å; F350-H359 AromaticContact CZ-ND1 3.99Å; F350-H359 AromaticContact CZ-NE2 3.95Å
351	N	53.8	Low	61.6	Low	45 Å²	45	71.3 Å²	71.3	24%	0.241	36%	0.355	C	S	.	.	S	Bend	trans	-77.5	-10.9	180	-53.5	52	0	0	0	113.3	S333 K339	S333-N351 PolarHBondContact O-ND2 3.07Å; S333-N351 PolarHBondContact OG-ND2 3.12Å; K339-N351 WeakPolarHBondContact CG-OD1 3.4Å
352	Y	61.4	Low	61.6	Low	63 Å²	63	71 Å²	71	25%	0.247	36%	0.359	C	S	.	.	S	Bend	trans	-143.9	140.3	179.8	-43.1	-76.8	0	0	0	112	N330 Y341 F350 S354 L355 L356	N330-Y352 WeakPolarHBondContact CB-OH 3.24Å; N330-Y352 PolarHBondContact ND2-OH 2.92Å; N330-Y352 PolarHBondContact OD1-OH 3.19Å; Y341-Y352 VanDerWaalsContact CD2-CA 3.43Å; F350-Y352 VanDerWaalsContact C-N 3.3Å; F350-Y352 PolarHBondContact O-N 3.01Å; Y352-S354 PolarHBondContact O-N 3.45Å; Y352-L355 HydrophobicContact CD2-CD1 3.78Å; Y352-L355 HydrophobicContact CD2-CG 4.11Å; Y352-L355 HydrophobicContact CE2-CD1 4.4Å; Y352-L355 PolarHBondContact O-N 3.18Å; Y352-L356 PolarHBondContact O-N 3.32Å; Y352-L356 VanDerWaalsContact O-N 3.13Å
353	S	54.4	Low	61.4	Low	55 Å²	55	68 Å²	68	39%	0.385	35%	0.347	S	S	.	.	H	α-helix	trans	-56.2	-36.1	174.9	54.4	0	0	0	0	112.8	L355 L356 I357	S353-L355 VanDerWaalsContact C-N 3.31Å; S353-L355 PolarHBondContact O-N 2.98Å; S353-L356 PolarHBondContact O-N 3.21Å; S353-I357 WeakPolarHBondContact O-CB 3.42Å; S353-I357 VanDerWaalsContact O-CG1 3.24Å; S353-I357 WeakPolarHBondContact O-CG1 3.34Å; S353-I357 PolarHBondContact O-N 2.99Å
354	S	59.3	Low	60.9	Low	76 Å²	76	71 Å²	71	53%	0.531	37%	0.365	S	S	.	.	H	α-helix	trans	-65.5	-30.1	177.2	56.1	0	0	0	0	113.7	Y352 Q358	Y352-S354 PolarHBondContact O-N 3.45Å; S354-Q358 WeakPolarHBondContact O-CB 3.44Å; S354-Q358 PolarHBondContact O-N 3.16Å; S354-Q358 VanDerWaalsContact O-N 3.09Å
355	L	61	Low	60.7	Low	72 Å²	72	66.9 Å²	66.9	38%	0.377	35%	0.353	S	S	.	.	H	α-helix	trans	-79.1	-34.7	172.8	-65.2	-171.3	0	0	0	111.8	F350 Y352 S353 Q358 H359	F350-L355 HydrophobicContact CB-CB 4.23Å; F350-L355 HydrophobicContact CD1-CB 3.89Å; F350-L355 HydrophobicContact CG-CB 4.31Å; Y352-L355 HydrophobicContact CD2-CD1 3.78Å; Y352-L355 HydrophobicContact CD2-CG 4.11Å; Y352-L355 HydrophobicContact CE2-CD1 4.4Å; Y352-L355 PolarHBondContact O-N 3.18Å; S353-L355 VanDerWaalsContact C-N 3.31Å; S353-L355 PolarHBondContact O-N 2.98Å; L355-Q358 PolarHBondContact O-N 3.21Å; L355-H359 VanDerWaalsContact O-CB 3.27Å; L355-H359 WeakPolarHBondContact O-CB 3.49Å; L355-H359 PolarHBondContact O-N 3.35Å
356	L	64.6	Low	60.4	Low	22 Å²	22	67.9 Å²	67.9	12%	0.115	36%	0.358	C	S	.	.	H	α-helix	trans	-64.4	-48.1	171.4	173.3	63.3	0	0	0	111.5	K342 C343 F350 Y352 S353 Q358 H359 K360	K342-L356 VanDerWaalsContact O-CD1 3.29Å; K342-L356 WeakPolarHBondContact O-CD1 3.47Å; K342-L356 WeakPolarHBondContact O-CD2 3.24Å; C343-L356 HydrophobicContact CB-CD1 3.52Å; F350-L356 HydrophobicContact CB-CB 4.48Å; F350-L356 HydrophobicContact CD2-CB 4.38Å; F350-L356 HydrophobicContact CD2-CD1 4.23Å; Y352-L356 PolarHBondContact O-N 3.32Å; Y352-L356 VanDerWaalsContact O-N 3.13Å; S353-L356 PolarHBondContact O-N 3.21Å; L356-Q358 VanDerWaalsContact C-N 3.3Å; L356-Q358 PolarHBondContact O-N 2.82Å; L356-H359 CarbonylContact O-C 3.42Å; L356-H359 WeakPolarHBondContact O-CA 3.46Å; L356-H359 WeakPolarHBondContact O-CB 3.23Å; L356-H359 PolarHBondContact O-N 3.19Å; L356-K360 HydrophobicContact CD1-CG 4.2Å; L356-K360 PolarHBondContact O-N 3.09Å
357	I	64.7	Low	60.9	Low	114 Å²	114	72.2 Å²	72.2	59%	0.585	37%	0.373	S	S	*	.	H	α-helix	trans	-56.6	-48.1	175.2	-70.2	162.5	0	0	0	109.2	S353 H359 K360 V361	S353-I357 WeakPolarHBondContact O-CB 3.42Å; S353-I357 VanDerWaalsContact O-CG1 3.24Å; S353-I357 WeakPolarHBondContact O-CG1 3.34Å; S353-I357 PolarHBondContact O-N 2.99Å; I357-H359 PolarHBondContact O-N 3.04Å; I357-K360 PolarHBondContact O-N 3.37Å; I357-V361 WeakPolarHBondContact O-CG2 3.26Å
358	Q	60.4	Low	61.2	Low	61 Å²	61	67.2 Å²	67.2	29%	0.285	36%	0.357	S	S	.	.	H	α-helix	trans	-60.8	-33	173.6	-156.7	-165.6	16.9	0	0	111.8	S354 L355 L356 R379	S354-Q358 WeakPolarHBondContact O-CB 3.44Å; S354-Q358 PolarHBondContact O-N 3.16Å; S354-Q358 VanDerWaalsContact O-N 3.09Å; L355-Q358 PolarHBondContact O-N 3.21Å; L356-Q358 VanDerWaalsContact C-N 3.3Å; L356-Q358 PolarHBondContact O-N 2.82Å; Q358-R379 VanDerWaalsContact C-NH2 3.31Å; Q358-R379 HydrophobicContact CG-CG 4.28Å; Q358-R379 PolarHBondContact O-NE 3.32Å; Q358-R379 PolarHBondContact O-NH2 3.35Å
359	H	69.6	Low	61.6	Low	8 Å²	8	66 Å²	66	4%	0.037	35%	0.35	C	S	.	.	H	α-helix	trans	-74.3	-37.8	-179.9	-179	44.9	0	0	0	114.1	C343 C346 F350 L355 L356 I357 V361 I362	C343-H359 VanDerWaalsContact SG-CD2 3.51Å; C346-H359 PolarHBondContact SG-NE2 3.13Å; C346-H359 VanDerWaalsContact SG-NE2 3.39Å; F350-H359 HydrophobicContact CD2-CB 4.46Å; F350-H359 HydrophobicContact CE1-CB 4.25Å; F350-H359 HydrophobicContact CE2-CB 3.79Å; F350-H359 AromaticContact CE2-CD2 3.11Å; F350-H359 WeakPolarHBondContact CE2-CD2 3.41Å; F350-H359 AromaticContact CE2-CG 3.52Å; F350-H359 AromaticContact CE2-NE2 3.86Å; F350-H359 HydrophobicContact CZ-CB 3.65Å; F350-H359 AromaticContact CZ-CD2 3.4Å; F350-H359 WeakPolarHBondContact CZ-CD2 3.43Å; F350-H359 AromaticContact CZ-CG 3.37Å; F350-H359 AromaticContact CZ-ND1 3.99Å; F350-H359 AromaticContact CZ-NE2 3.95Å; L355-H359 VanDerWaalsContact O-CB 3.27Å; L355-H359 WeakPolarHBondContact O-CB 3.49Å; L355-H359 PolarHBondContact O-N 3.35Å; L356-H359 CarbonylContact O-C 3.42Å; L356-H359 WeakPolarHBondContact O-CA 3.46Å; L356-H359 WeakPolarHBondContact O-CB 3.23Å; L356-H359 PolarHBondContact O-N 3.19Å; I357-H359 PolarHBondContact O-N 3.04Å; H359-V361 PolarHBondContact O-N 2.91Å; H359-I362 WeakPolarHBondContact ND1-CD1 3.2Å; H359-I362 VanDerWaalsContact O-CB 3.25Å; H359-I362 WeakPolarHBondContact O-CB 3.46Å; H359-I362 WeakPolarHBondContact O-CG1 3.36Å; H359-I362 PolarHBondContact O-N 3.41Å
360	K	63.1	Low	61.7	Low	71 Å²	71	69.8 Å²	69.8	31%	0.309	37%	0.365	S	S	.	.	H	α-helix	trans	-58.4	-32.6	175.2	-70	-162.7	170.8	-160.7	0	112.5	D344 L356 I357 I362 H363 T364	D344-K360 VanDerWaalsContact OD2-CE 3.22Å; D344-K360 WeakPolarHBondContact OD2-CE 3.22Å; D344-K360 IonicContact OD2-NZ 3.58Å; D344-K360 PolarHBondContact OD2-NZ 3Å; L356-K360 HydrophobicContact CD1-CG 4.2Å; L356-K360 PolarHBondContact O-N 3.09Å; I357-K360 PolarHBondContact O-N 3.37Å; K360-I362 PolarHBondContact O-N 3.36Å; K360-H363 PolarHBondContact O-N 2.79Å; K360-T364 PolarHBondContact O-N 2.91Å
361	V	63.6	Low	61.8	Low	27 Å²	27	67.7 Å²	67.7	16%	0.164	36%	0.356	C	S	.	.	H	α-helix	trans	-64.6	4	169.7	-171.2	0	0	0	0	113.5	I357 H359 E366 R379	I357-V361 WeakPolarHBondContact O-CG2 3.26Å; H359-V361 PolarHBondContact O-N 2.91Å; V361-E366 WeakPolarHBondContact CG1-O 3.24Å; V361-R379 HydrophobicContact CB-CG 4.22Å; V361-R379 HydrophobicContact CG1-CB 4.38Å; V361-R379 HydrophobicContact CG1-CG 3.85Å
362	I	60.6	Low	62.5	Low	89 Å²	89	71.6 Å²	71.6	46%	0.456	38%	0.377	S	S	.	.	H	α-helix	trans	-89.3	-38.4	162.5	-57.2	-172.7	0	0	0	110.9	H359 K360 R379	H359-I362 WeakPolarHBondContact ND1-CD1 3.2Å; H359-I362 VanDerWaalsContact O-CB 3.25Å; H359-I362 WeakPolarHBondContact O-CB 3.46Å; H359-I362 WeakPolarHBondContact O-CG1 3.36Å; H359-I362 PolarHBondContact O-N 3.41Å; K360-I362 PolarHBondContact O-N 3.36Å; I362-R379 VanDerWaalsContact CG1-CZ 3.4Å
363	H	59.5	Low	62.8	Low	76 Å²	76	73.4 Å²	73.4	35%	0.352	39%	0.387	S	S	.	.	H	α-helix	trans	-85.2	-44.4	-173.7	-55.9	-69.8	0	0	0	112	E345 C346 K360 G365	E345-H363 HydrophobicContact CB-CB 4.14Å; E345-H363 HydrophobicContact CG-CB 4.45Å; E345-H363 IonicContact OE1-CD2 3.82Å; E345-H363 WeakPolarHBondContact OE2-CB 3.38Å; E345-H363 IonicContact OE2-CG 3.31Å; C346-H363 WeakPolarHBondContact CB-NE2 3.36Å; C346-H363 PolarHBondContact SG-NE2 3.47Å; K360-H363 PolarHBondContact O-N 2.79Å; H363-G365 PolarHBondContact O-N 3.47Å; H363-G365 VanDerWaalsContact O-N 3.1Å
364	T	58.9	Low	63.2	Low	70 Å²	70	72.9 Å²	72.9	43%	0.429	38%	0.383	S	S	.	.	S	Bend	trans	-64.8	-14.9	175	67.5	0	0	0	0	113	K360 E366	K360-T364 PolarHBondContact O-N 2.91Å; T364-E366 WeakPolarHBondContact CB-OE2 3.32Å; T364-E366 PolarHBondContact O-N 3.23Å; T364-E366 PolarHBondContact OG1-OE2 3.04Å
365	G	57.9	Low	63.4	Low	42 Å²	42	71.5 Å²	71.5	43%	0.433	38%	0.381	S	S	.	.			trans	71.3	-17	179.5	0	0	0	0	0	115.2	H363	H363-G365 PolarHBondContact O-N 3.47Å; H363-G365 VanDerWaalsContact O-N 3.1Å
366	E	56.6	Low	63.5	Low	120 Å²	120	73.5 Å²	73.5	56%	0.561	39%	0.387	S	S	*	.			trans	-50.5	149.7	173.8	-62.1	173.4	127.9	0	0	111.9	V361 T364	V361-E366 WeakPolarHBondContact CG1-O 3.24Å; T364-E366 WeakPolarHBondContact CB-OE2 3.32Å; T364-E366 PolarHBondContact O-N 3.23Å; T364-E366 PolarHBondContact OG1-OE2 3.04Å
367	K	64.7	Low	63.6	Low	120 Å²	120	73.8 Å²	73.8	52%	0.522	39%	0.392	S	S	.	.			trans	-141.3	84.2	178.4	-77	139.7	-175.4	157.3	0	108.5	Y369 A377 F378	K367-Y369 PolarHBondContact O-N 3.41Å; K367-A377 VanDerWaalsContact CB-C 3.49Å; K367-A377 HydrophobicContact CB-CB 3.32Å; K367-A377 HydrophobicContact CD-CB 4Å; K367-A377 WeakPolarHBondContact CD-O 3.4Å; K367-A377 HydrophobicContact CG-CB 4.2Å; K367-F378 CarbonylContact C-O 3.18Å
368	P	66.3	Low	63.8	Low	85 Å²	85	71 Å²	71	55%	0.552	38%	0.376	S	S	*	.	S	Bend	trans	-64.4	7	-168.4	-25.7	36	0	0	0	117.1
369	Y	65.2	Low	63.8	Low	97 Å²	97	72.3 Å²	72.3	38%	0.38	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-130.2	79.7	-177.7	-57.5	-71.1	0	0	0	109.8	K367 F378 N380 S381	K367-Y369 PolarHBondContact O-N 3.41Å; Y369-F378 PolarHBondContact N-O 3.48Å; Y369-F378 PolarHBondContact O-N 3.41Å; Y369-N380 VanDerWaalsContact CD2-CA 3.44Å; Y369-S381 VanDerWaalsContact CD2-N 3.28Å
370	E	62.6	Low	63.6	Low	109 Å²	109	75 Å²	75	51%	0.509	39%	0.393	S	S	.	.			trans	-75.4	153.6	178	-166.8	151.4	-175.2	0	0	113.4	G375 A377 L384	E370-G375 VanDerWaalsContact OE1-CA 3.23Å; E370-G375 WeakPolarHBondContact OE1-CA 3.42Å; E370-A377 HydrophobicContact CB-CB 4.13Å; E370-A377 HydrophobicContact CG-CB 4.15Å; E370-L384 WeakPolarHBondContact O-CD1 3.39Å; E370-L384 WeakPolarHBondContact O-CD2 3.21Å
371	C	70.4	Confident	63.5	Low	0 Å²	0	74 Å²	74	0%	0	40%	0.395	C	S	.	.			trans	-107.7	95.5	174.7	-174.2	0	0	0	0	109.8	E373 C374 G375 K376 F378 L384 H387 H391	C371-E373 PolarHBondContact O-N 2.91Å; C371-C374 PolarHBondContact O-N 3.37Å; C371-G375 PolarHBondContact O-N 2.68Å; C371-K376 HydrophobicContact CB-CB 4.5Å; C371-K376 WeakPolarHBondContact CB-O 3.2Å; C371-K376 PolarHBondContact N-O 2.84Å; C371-F378 HydrophobicContact CB-CE2 4.5Å; C371-L384 HydrophobicContact CB-CD1 3.54Å; C371-H387 VanDerWaalsContact SG-CD2 3.51Å; C371-H391 VanDerWaalsContact SG-CD2 3.58Å; C371-H391 PolarHBondContact SG-NE2 3.21Å; C371-H391 VanDerWaalsContact SG-NE2 3.37Å
372	D	68.6	Low	63.7	Low	127 Å²	127	76.4 Å²	76.4	68%	0.679	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.9	-40.8	177.9	-15.9	-49.1	0	0	0	113.3	C374 K388	D372-C374 VanDerWaalsContact C-N 3.31Å; D372-C374 PolarHBondContact O-N 2.71Å; D372-K388 IonicContact OD2-NZ 3.99Å; D372-K388 PolarHBondContact OD2-NZ 2.87Å
373	E	67.8	Low	64	Low	101 Å²	101	72.9 Å²	72.9	47%	0.472	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-12.6	-179.5	-61.7	168	106.6	0	0	115.4	C371 H391	C371-E373 PolarHBondContact O-N 2.91Å; E373-H391 HydrophobicContact CB-CB 4.5Å; E373-H391 WeakPolarHBondContact OE1-CB 3.17Å; E373-H391 IonicContact OE2-CD2 3.32Å; E373-H391 PolarHBondContact OE2-CD2 3.34Å; E373-H391 VanDerWaalsContact OE2-CD2 3.25Å; E373-H391 IonicContact OE2-CG 3.74Å
374	C	62.9	Low	64.5	Low	43 Å²	43	70.4 Å²	70.4	29%	0.291	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-161.2	14.5	-177	75.3	0	0	0	0	117.9	C371 D372 K376 H387 H391	C371-C374 PolarHBondContact O-N 3.37Å; D372-C374 VanDerWaalsContact C-N 3.31Å; D372-C374 PolarHBondContact O-N 2.71Å; C374-K376 PolarHBondContact O-N 2.84Å; C374-K376 VanDerWaalsContact O-N 3.12Å; C374-H387 PolarHBondContact SG-NE2 2.94Å; C374-H391 PolarHBondContact SG-CE1 2.73Å; C374-H391 PolarHBondContact SG-NE2 3.16Å
375	G	62.1	Low	64.9	Low	48 Å²	48	71.9 Å²	71.9	50%	0.495	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	15.7	178.4	0	0	0	0	0	115.5	E370 C371 A377	E370-G375 VanDerWaalsContact OE1-CA 3.23Å; E370-G375 WeakPolarHBondContact OE1-CA 3.42Å; C371-G375 PolarHBondContact O-N 2.68Å; G375-A377 PolarHBondContact O-N 3.18Å
376	K	64.6	Low	65.3	Low	113 Å²	113	71.6 Å²	71.6	49%	0.491	38%	0.382	S	S	.	.			trans	-91.3	109.4	-179.6	-71.2	-169.3	-173.2	68.4	0	110.3	C371 C374 F378	C371-K376 HydrophobicContact CB-CB 4.5Å; C371-K376 WeakPolarHBondContact CB-O 3.2Å; C371-K376 PolarHBondContact N-O 2.84Å; C374-K376 PolarHBondContact O-N 2.84Å; C374-K376 VanDerWaalsContact O-N 3.12Å; K376-F378 HydrophobicContact CB-CE2 3.9Å; K376-F378 HydrophobicContact CB-CZ 4.29Å; K376-F378 WeakPolarHBondContact O-CD2 3.45Å; K376-F378 WeakPolarHBondContact O-CE2 3.49Å
377	A	65.2	Low	66	Low	29 Å²	29	66.7 Å²	66.7	24%	0.24	36%	0.359	C	S	.	.			trans	-94.2	141	-179.1	0	0	0	0	0	113.5	K367 E370 G375	K367-A377 VanDerWaalsContact CB-C 3.49Å; K367-A377 HydrophobicContact CB-CB 3.32Å; K367-A377 HydrophobicContact CD-CB 4Å; K367-A377 WeakPolarHBondContact CD-O 3.4Å; K367-A377 HydrophobicContact CG-CB 4.2Å; E370-A377 HydrophobicContact CB-CB 4.13Å; E370-A377 HydrophobicContact CG-CB 4.15Å; G375-A377 PolarHBondContact O-N 3.18Å
378	F	69.9	Low	66.3	Low	54 Å²	54	64 Å²	64	24%	0.237	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-119.4	152.1	-173.5	-67.2	-90.8	0	0	0	113.3	K367 Y369 C371 K376 N380 L384 H387	K367-F378 CarbonylContact C-O 3.18Å; Y369-F378 PolarHBondContact N-O 3.48Å; Y369-F378 PolarHBondContact O-N 3.41Å; C371-F378 HydrophobicContact CB-CE2 4.5Å; K376-F378 HydrophobicContact CB-CE2 3.9Å; K376-F378 HydrophobicContact CB-CZ 4.29Å; K376-F378 WeakPolarHBondContact O-CD2 3.45Å; K376-F378 WeakPolarHBondContact O-CE2 3.49Å; F378-N380 VanDerWaalsContact C-N 3.3Å; F378-N380 PolarHBondContact O-N 2.97Å; F378-L384 HydrophobicContact CB-CB 4.36Å; F378-L384 HydrophobicContact CD2-CB 4.23Å; F378-L384 HydrophobicContact CD2-CD1 4.13Å; F378-L384 HydrophobicContact CG-CB 4.47Å; F378-H387 HydrophobicContact CD2-CB 4.38Å; F378-H387 HydrophobicContact CE1-CB 4.07Å; F378-H387 HydrophobicContact CE2-CB 3.59Å; F378-H387 AromaticContact CE2-CD2 3.29Å; F378-H387 WeakPolarHBondContact CE2-CD2 3.41Å; F378-H387 AromaticContact CE2-CG 3.41Å; F378-H387 VanDerWaalsContact CE2-CG 3.41Å; F378-H387 HydrophobicContact CZ-CB 3.42Å; F378-H387 VanDerWaalsContact CZ-CB 3.42Å; F378-H387 AromaticContact CZ-CD2 3.56Å; F378-H387 AromaticContact CZ-CG 3.23Å; F378-H387 AromaticContact CZ-ND1 3.69Å
379	R	59.5	Low	66.7	Low	90 Å²	90	62.3 Å²	62.3	34%	0.34	33%	0.33	S	S	.	.	S	Bend	trans	-83.6	1.1	178.4	178.9	167.1	164.9	-111.9	-11	113.7	Q358 V361 I362	Q358-R379 VanDerWaalsContact C-NH2 3.31Å; Q358-R379 HydrophobicContact CG-CG 4.28Å; Q358-R379 PolarHBondContact O-NE 3.32Å; Q358-R379 PolarHBondContact O-NH2 3.35Å; V361-R379 HydrophobicContact CB-CG 4.22Å; V361-R379 HydrophobicContact CG1-CB 4.38Å; V361-R379 HydrophobicContact CG1-CG 3.85Å; I362-R379 VanDerWaalsContact CG1-CZ 3.4Å
380	N	66.1	Low	66.6	Low	64 Å²	64	62.8 Å²	62.8	34%	0.342	34%	0.338	S	S	.	.	S	Bend	trans	-158.9	145.5	172	55.4	0.4	0	0	0	112.3	Y369 F378 S382 G383 L384	Y369-N380 VanDerWaalsContact CD2-CA 3.44Å; F378-N380 VanDerWaalsContact C-N 3.3Å; F378-N380 PolarHBondContact O-N 2.97Å; N380-S382 VanDerWaalsContact C-N 3.29Å; N380-S382 PolarHBondContact O-N 3.04Å; N380-G383 WeakPolarHBondContact O-CA 3.48Å; N380-G383 PolarHBondContact O-N 3.41Å; N380-G383 WeakPolarHBondContact OD1-CA 3.29Å; N380-G383 PolarHBondContact OD1-N 3.35Å; N380-L384 PolarHBondContact O-N 2.8Å
381	S	61.3	Low	66.8	Low	51 Å²	51	60.8 Å²	60.8	36%	0.357	33%	0.329	S	S	.	.	H	α-helix	trans	-58.2	-38.2	177.5	53.7	0	0	0	0	112.9	Y369 G383 L384 I385	Y369-S381 VanDerWaalsContact CD2-N 3.28Å; S381-G383 PolarHBondContact O-N 3.43Å; S381-L384 PolarHBondContact O-N 2.85Å; S381-I385 VanDerWaalsContact O-CG1 3.3Å; S381-I385 WeakPolarHBondContact O-CG1 2.96Å; S381-I385 PolarHBondContact O-N 2.81Å
382	S	66.7	Low	66.4	Low	76 Å²	76	64.5 Å²	64.5	53%	0.531	35%	0.351	S	S	.	.	H	α-helix	trans	-60.5	-32.2	173.5	-52.5	0	0	0	0	113.1	N380 V386	N380-S382 VanDerWaalsContact C-N 3.29Å; N380-S382 PolarHBondContact O-N 3.04Å; S382-V386 WeakPolarHBondContact O-CB 3.38Å; S382-V386 VanDerWaalsContact O-CG2 3.25Å; S382-V386 WeakPolarHBondContact O-CG2 3.49Å; S382-V386 PolarHBondContact O-N 3.1Å
383	G	67	Low	66.2	Low	16 Å²	16	60.3 Å²	60.3	17%	0.165	34%	0.339	C	S	.	.	H	α-helix	trans	-71.4	-43.2	174.8	0	0	0	0	0	111.9	N380 S381 V386 H387	N380-G383 WeakPolarHBondContact O-CA 3.48Å; N380-G383 PolarHBondContact O-N 3.41Å; N380-G383 WeakPolarHBondContact OD1-CA 3.29Å; N380-G383 PolarHBondContact OD1-N 3.35Å; S381-G383 PolarHBondContact O-N 3.43Å; G383-V386 PolarHBondContact O-N 3.2Å; G383-H387 WeakPolarHBondContact O-CB 3.25Å; G383-H387 PolarHBondContact O-N 3.47Å
384	L	70	Confident	66	Low	24 Å²	24	60.6 Å²	60.6	13%	0.126	34%	0.34	C	S	.	.	H	α-helix	trans	-61.5	-48.6	173.8	174	61.6	0	0	0	112.4	E370 C371 F378 N380 S381 V386 H387 K388	E370-L384 WeakPolarHBondContact O-CD1 3.39Å; E370-L384 WeakPolarHBondContact O-CD2 3.21Å; C371-L384 HydrophobicContact CB-CD1 3.54Å; F378-L384 HydrophobicContact CB-CB 4.36Å; F378-L384 HydrophobicContact CD2-CB 4.23Å; F378-L384 HydrophobicContact CD2-CD1 4.13Å; F378-L384 HydrophobicContact CG-CB 4.47Å; N380-L384 PolarHBondContact O-N 2.8Å; S381-L384 PolarHBondContact O-N 2.85Å; L384-V386 PolarHBondContact O-N 3.4Å; L384-H387 CarbonylContact O-C 3.29Å; L384-H387 WeakPolarHBondContact O-CA 3.48Å; L384-H387 WeakPolarHBondContact O-CB 3.13Å; L384-H387 PolarHBondContact O-N 2.71Å; L384-K388 HydrophobicContact CD1-CG 4.18Å; L384-K388 PolarHBondContact O-N 2.9Å
385	I	67.8	Low	66.4	Low	100 Å²	100	64.2 Å²	64.2	51%	0.513	35%	0.35	S	S	.	.	H	α-helix	trans	-59.7	-38	178.2	-68.4	163.4	0	0	0	111	S381	S381-I385 VanDerWaalsContact O-CG1 3.3Å; S381-I385 WeakPolarHBondContact O-CG1 2.96Å; S381-I385 PolarHBondContact O-N 2.81Å
386	V	65.8	Low	66.9	Low	37 Å²	37	65.3 Å²	65.3	22%	0.224	35%	0.349	C	S	.	.	H	α-helix	trans	-69.3	-34.3	172.9	160.3	0	0	0	0	112	S382 G383 L384 Y408	S382-V386 WeakPolarHBondContact O-CB 3.38Å; S382-V386 VanDerWaalsContact O-CG2 3.25Å; S382-V386 WeakPolarHBondContact O-CG2 3.49Å; S382-V386 PolarHBondContact O-N 3.1Å; G383-V386 PolarHBondContact O-N 3.2Å; L384-V386 PolarHBondContact O-N 3.4Å; V386-Y408 HydrophobicContact CG1-CD1 4.3Å; V386-Y408 HydrophobicContact CG1-CE1 3.36Å; V386-Y408 HydrophobicContact CG1-CE2 4.42Å; V386-Y408 VanDerWaalsContact CG1-CZ 3.42Å; V386-Y408 WeakPolarHBondContact CG1-OH 3.45Å
387	H	72.3	Confident	67.3	Low	17 Å²	17	63.6 Å²	63.6	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-72.4	-40	179.3	-179	57.4	0	0	0	113.3	C371 C374 F378 G383 L384 R389 I390 H391	C371-H387 VanDerWaalsContact SG-CD2 3.51Å; C374-H387 PolarHBondContact SG-NE2 2.94Å; F378-H387 HydrophobicContact CD2-CB 4.38Å; F378-H387 HydrophobicContact CE1-CB 4.07Å; F378-H387 HydrophobicContact CE2-CB 3.59Å; F378-H387 AromaticContact CE2-CD2 3.29Å; F378-H387 WeakPolarHBondContact CE2-CD2 3.41Å; F378-H387 AromaticContact CE2-CG 3.41Å; F378-H387 VanDerWaalsContact CE2-CG 3.41Å; F378-H387 HydrophobicContact CZ-CB 3.42Å; F378-H387 VanDerWaalsContact CZ-CB 3.42Å; F378-H387 AromaticContact CZ-CD2 3.56Å; F378-H387 AromaticContact CZ-CG 3.23Å; F378-H387 AromaticContact CZ-ND1 3.69Å; G383-H387 WeakPolarHBondContact O-CB 3.25Å; G383-H387 PolarHBondContact O-N 3.47Å; L384-H387 CarbonylContact O-C 3.29Å; L384-H387 WeakPolarHBondContact O-CA 3.48Å; L384-H387 WeakPolarHBondContact O-CB 3.13Å; L384-H387 PolarHBondContact O-N 2.71Å; H387-R389 PolarHBondContact O-N 3.33Å; H387-R389 VanDerWaalsContact O-N 3.1Å; H387-I390 VanDerWaalsContact O-CB 3.26Å; H387-I390 WeakPolarHBondContact O-CB 3.4Å; H387-I390 WeakPolarHBondContact O-CG1 3.48Å; H387-I390 PolarHBondContact O-N 2.98Å; H387-H391 AromaticContact CD2-NE2 3.75Å; H387-H391 AromaticContact CE1-NE2 3.81Å; H387-H391 AromaticContact NE2-CE1 3.72Å; H387-H391 AromaticContact NE2-NE2 3.18Å; H387-H391 PolarHBondContact NE2-NE2 3.37Å; H387-H391 VanDerWaalsContact NE2-NE2 3.18Å
388	K	69.9	Low	67.5	Low	63 Å²	63	69 Å²	69	27%	0.274	36%	0.358	S	S	.	.	H	α-helix	trans	-58.1	-25.7	177.6	-70.1	-164.9	172.3	-167.1	0	113.2	D372 L384 I390 H391 T392	D372-K388 IonicContact OD2-NZ 3.99Å; D372-K388 PolarHBondContact OD2-NZ 2.87Å; L384-K388 HydrophobicContact CD1-CG 4.18Å; L384-K388 PolarHBondContact O-N 2.9Å; K388-I390 PolarHBondContact O-N 2.83Å; K388-I390 VanDerWaalsContact O-N 3.09Å; K388-H391 PolarHBondContact O-N 3.19Å; K388-T392 PolarHBondContact O-N 2.98Å; K388-T392 PolarHBondContact O-OG1 2.85Å
389	R	75.4	Confident	67.6	Low	49 Å²	49	66.5 Å²	66.5	19%	0.185	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-10.3	169.8	-59.5	-175.1	-176.6	140.1	13.1	115.2	H387 G393 E394 S407	H387-R389 PolarHBondContact O-N 3.33Å; H387-R389 VanDerWaalsContact O-N 3.1Å; R389-G393 CarbonylContact O-C 3.58Å; R389-G393 PolarHBondContact O-N 2.87Å; R389-E394 HydrophobicContact CB-CB 4.31Å; R389-E394 HydrophobicContact CG-CB 4.18Å; R389-E394 PolarHBondContact O-N 3.29Å; R389-S407 PolarHBondContact NH1-O 2.99Å
390	I	63.9	Low	68.1	Low	108 Å²	108	68.2 Å²	68.2	55%	0.554	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-35.1	172.2	-59.5	-173.5	0	0	0	110.4	H387 K388	H387-I390 VanDerWaalsContact O-CB 3.26Å; H387-I390 WeakPolarHBondContact O-CB 3.4Å; H387-I390 WeakPolarHBondContact O-CG1 3.48Å; H387-I390 PolarHBondContact O-N 2.98Å; K388-I390 PolarHBondContact O-N 2.83Å; K388-I390 VanDerWaalsContact O-N 3.09Å
391	H	64.9	Low	68.1	Low	67 Å²	67	69.9 Å²	69.9	31%	0.31	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-49.2	-178.5	-50.3	-47.6	0	0	0	111.1	C371 E373 C374 H387 K388 G393	C371-H391 VanDerWaalsContact SG-CD2 3.58Å; C371-H391 PolarHBondContact SG-NE2 3.21Å; C371-H391 VanDerWaalsContact SG-NE2 3.37Å; E373-H391 HydrophobicContact CB-CB 4.5Å; E373-H391 WeakPolarHBondContact OE1-CB 3.17Å; E373-H391 IonicContact OE2-CD2 3.32Å; E373-H391 PolarHBondContact OE2-CD2 3.34Å; E373-H391 VanDerWaalsContact OE2-CD2 3.25Å; E373-H391 IonicContact OE2-CG 3.74Å; C374-H391 PolarHBondContact SG-CE1 2.73Å; C374-H391 PolarHBondContact SG-NE2 3.16Å; H387-H391 AromaticContact CD2-NE2 3.75Å; H387-H391 AromaticContact CE1-NE2 3.81Å; H387-H391 AromaticContact NE2-CE1 3.72Å; H387-H391 AromaticContact NE2-NE2 3.18Å; H387-H391 PolarHBondContact NE2-NE2 3.37Å; H387-H391 VanDerWaalsContact NE2-NE2 3.18Å; K388-H391 PolarHBondContact O-N 3.19Å; H391-G393 PolarHBondContact O-N 2.6Å; H391-G393 VanDerWaalsContact O-N 3.14Å
392	T	63.9	Low	68.4	Low	77 Å²	77	70 Å²	70	47%	0.472	38%	0.375	S	S	.	.	S	Bend	trans	-68.3	-10.4	173.8	66.2	0	0	0	0	113.5	K388 E394	K388-T392 PolarHBondContact O-N 2.98Å; K388-T392 PolarHBondContact O-OG1 2.85Å; T392-E394 PolarHBondContact O-N 3.47Å; T392-E394 VanDerWaalsContact O-N 3.08Å; T392-E394 WeakPolarHBondContact OG1-CG 3.26Å
393	G	63.4	Low	68.3	Low	40 Å²	40	69.1 Å²	69.1	41%	0.412	38%	0.379	S	S	.	.			trans	67.9	1.9	-178.1	0	0	0	0	0	115.2	R389 H391 K395	R389-G393 CarbonylContact O-C 3.58Å; R389-G393 PolarHBondContact O-N 2.87Å; H391-G393 PolarHBondContact O-N 2.6Å; H391-G393 VanDerWaalsContact O-N 3.14Å; G393-K395 PolarHBondContact O-N 3.35Å
394	E	64.4	Low	68.3	Low	106 Å²	106	74.2 Å²	74.2	50%	0.495	40%	0.396	S	S	.	.			trans	-56.3	129.1	-172.2	-83.5	-172.8	177	0	0	113.7	R389 T392	R389-E394 HydrophobicContact CB-CB 4.31Å; R389-E394 HydrophobicContact CG-CB 4.18Å; R389-E394 PolarHBondContact O-N 3.29Å; T392-E394 PolarHBondContact O-N 3.47Å; T392-E394 VanDerWaalsContact O-N 3.08Å; T392-E394 WeakPolarHBondContact OG1-CG 3.26Å
395	K	70.1	Confident	68.3	Low	119 Å²	119	74.9 Å²	74.9	52%	0.517	41%	0.405	S	S	.	.			trans	-129.4	74.7	175.4	-70.8	154.8	-173.4	159.4	0	110.1	G393 Y397 A405 F406	G393-K395 PolarHBondContact O-N 3.35Å; K395-Y397 PolarHBondContact O-N 3.08Å; K395-Y397 VanDerWaalsContact O-N 3.17Å; K395-A405 HydrophobicContact CB-CB 3.51Å; K395-A405 HydrophobicContact CD-CB 4.28Å; K395-A405 HydrophobicContact CG-CB 4.43Å; K395-F406 CarbonylContact C-O 3.25Å; K395-F406 VanDerWaalsContact C-O 3.25Å; K395-F406 VanDerWaalsContact CA-O 3.29Å; K395-F406 WeakPolarHBondContact CA-O 3.34Å
396	P	73.3	Confident	68.6	Low	71 Å²	71	72.7 Å²	72.7	46%	0.461	39%	0.392	S	S	.	.			trans	-63.1	-24.5	-174.1	-22.9	35.1	0	0	0	113.5	K398	P396-K398 PolarHBondContact O-N 2.84Å
397	Y	72.6	Confident	68.5	Low	77 Å²	77	72.4 Å²	72.4	30%	0.302	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	81.2	-172	-53.8	-78.7	0	0	0	110.3	K395 F406	K395-Y397 PolarHBondContact O-N 3.08Å; K395-Y397 VanDerWaalsContact O-N 3.17Å; Y397-F406 WeakPolarHBondContact CB-O 3.39Å; Y397-F406 WeakPolarHBondContact CD2-O 3.32Å; Y397-F406 PolarHBondContact N-O 2.99Å; Y397-F406 PolarHBondContact O-N 3.11Å
398	K	69	Low	68.4	Low	144 Å²	144	76.9 Å²	76.9	63%	0.626	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	151.4	175.1	-64.7	-178.8	-178.6	176.7	0	111.7	P396 A405 L412	P396-K398 PolarHBondContact O-N 2.84Å; K398-A405 HydrophobicContact CG-CB 4Å; K398-L412 VanDerWaalsContact O-CD1 3.31Å; K398-L412 WeakPolarHBondContact O-CD1 3.24Å; K398-L412 WeakPolarHBondContact O-CD2 3.43Å
399	C	71.5	Confident	68.2	Low	1 Å²	1	77.2 Å²	77.2	1%	0.007	42%	0.419	C	S	.	.			trans	-107.1	106.9	177.2	-171	0	0	0	0	111.2	V401 C402 G403 K404 F406 L412 H415 H419	C399-V401 PolarHBondContact O-N 3.06Å; C399-C402 PolarHBondContact O-N 3.26Å; C399-C402 VanDerWaalsContact O-N 3.1Å; C399-G403 WeakPolarHBondContact O-CA 3.27Å; C399-G403 PolarHBondContact O-N 3.18Å; C399-K404 WeakPolarHBondContact CB-O 3.49Å; C399-K404 PolarHBondContact N-O 3.13Å; C399-F406 HydrophobicContact CB-CE2 4.48Å; C399-L412 HydrophobicContact CB-CD1 3.52Å; C399-H415 VanDerWaalsContact SG-CD2 3.51Å; C399-H419 VanDerWaalsContact SG-CD2 3.58Å; C399-H419 PolarHBondContact SG-NE2 3.08Å; C399-H419 VanDerWaalsContact SG-NE2 3.37Å
400	D	71.3	Confident	67.7	Low	126 Å²	126	78.4 Å²	78.4	67%	0.674	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-25.9	-175.5	-21.2	-48.6	0	0	0	113.6	K416	D400-K416 IonicContact OD1-NZ 3.69Å; D400-K416 WeakPolarHBondContact OD2-CE 3.25Å; D400-K416 IonicContact OD2-NZ 3.21Å; D400-K416 PolarHBondContact OD2-NZ 3.44Å
401	V	66.3	Low	67.9	Low	98 Å²	98	74.3 Å²	74.3	59%	0.594	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-25.8	-178.6	-174.3	0	0	0	0	113.6	C399 H419	C399-V401 PolarHBondContact O-N 3.06Å; V401-H419 HydrophobicContact CB-CB 4.44Å; V401-H419 HydrophobicContact CG1-CB 4.03Å; V401-H419 HydrophobicContact CG2-CB 4.48Å
402	C	66.2	Low	68.1	Low	53 Å²	53	72.1 Å²	72.1	36%	0.358	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.7	22.6	-179.5	77.7	0	0	0	0	115.9	C399 K404 H415 H419	C399-C402 PolarHBondContact O-N 3.26Å; C399-C402 VanDerWaalsContact O-N 3.1Å; C402-K404 PolarHBondContact O-N 3.46Å; C402-H415 PolarHBondContact SG-NE2 3.38Å; C402-H419 PolarHBondContact SG-CE1 3.42Å
403	G	65.3	Low	68.1	Low	59 Å²	59	71.3 Å²	71.3	61%	0.608	41%	0.411	S	S	*	.			trans	68.6	-13.4	176.4	0	0	0	0	0	116.5	C399 A405	C399-G403 WeakPolarHBondContact O-CA 3.27Å; C399-G403 PolarHBondContact O-N 3.18Å; G403-A405 PolarHBondContact O-N 2.79Å
404	K	67.1	Low	68	Low	123 Å²	123	71 Å²	71	54%	0.535	40%	0.401	S	S	.	.			trans	-63.6	127	-173.4	-73.3	176.2	-173.3	160.6	0	112	C399 C402 F406	C399-K404 WeakPolarHBondContact CB-O 3.49Å; C399-K404 PolarHBondContact N-O 3.13Å; C402-K404 PolarHBondContact O-N 3.46Å; K404-F406 HydrophobicContact CB-CE2 3.84Å; K404-F406 HydrophobicContact CB-CZ 4.18Å; K404-F406 WeakPolarHBondContact O-CD2 3.45Å; K404-F406 VanDerWaalsContact O-CE2 3.3Å; K404-F406 WeakPolarHBondContact O-CE2 3.42Å
405	A	71.3	Confident	68	Low	37 Å²	37	67 Å²	67	31%	0.306	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	139	-174.9	0	0	0	0	0	112.2	K395 K398 G403	K395-A405 HydrophobicContact CB-CB 3.51Å; K395-A405 HydrophobicContact CD-CB 4.28Å; K395-A405 HydrophobicContact CG-CB 4.43Å; K398-A405 HydrophobicContact CG-CB 4Å; G403-A405 PolarHBondContact O-N 2.79Å
406	F	73.5	Confident	67.7	Low	55 Å²	55	65 Å²	65	24%	0.241	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	148.4	-176.6	-60.3	-95.4	0	0	0	111.1	K395 Y397 C399 K404 Y408 L412 H415	K395-F406 CarbonylContact C-O 3.25Å; K395-F406 VanDerWaalsContact C-O 3.25Å; K395-F406 VanDerWaalsContact CA-O 3.29Å; K395-F406 WeakPolarHBondContact CA-O 3.34Å; Y397-F406 WeakPolarHBondContact CB-O 3.39Å; Y397-F406 WeakPolarHBondContact CD2-O 3.32Å; Y397-F406 PolarHBondContact N-O 2.99Å; Y397-F406 PolarHBondContact O-N 3.11Å; C399-F406 HydrophobicContact CB-CE2 4.48Å; K404-F406 HydrophobicContact CB-CE2 3.84Å; K404-F406 HydrophobicContact CB-CZ 4.18Å; K404-F406 WeakPolarHBondContact O-CD2 3.45Å; K404-F406 VanDerWaalsContact O-CE2 3.3Å; K404-F406 WeakPolarHBondContact O-CE2 3.42Å; F406-Y408 VanDerWaalsContact C-N 3.28Å; F406-L412 HydrophobicContact CB-CB 4.4Å; F406-L412 HydrophobicContact CD2-CB 4.26Å; F406-L412 HydrophobicContact CD2-CD1 4.06Å; F406-L412 HydrophobicContact CE2-CD1 4.42Å; F406-H415 HydrophobicContact CE1-CB 4.1Å; F406-H415 HydrophobicContact CE2-CB 3.73Å; F406-H415 AromaticContact CE2-CD2 3.3Å; F406-H415 WeakPolarHBondContact CE2-CD2 3.45Å; F406-H415 AromaticContact CE2-CG 3.63Å; F406-H415 HydrophobicContact CZ-CB 3.48Å; F406-H415 VanDerWaalsContact CZ-CB 3.48Å; F406-H415 AromaticContact CZ-CD2 3.43Å; F406-H415 VanDerWaalsContact CZ-CD2 3.43Å; F406-H415 WeakPolarHBondContact CZ-CD2 3.41Å; F406-H415 AromaticContact CZ-CG 3.35Å
407	S	63.8	Low	67.1	Low	31 Å²	31	63.7 Å²	63.7	22%	0.217	37%	0.366	C	S	.	.	S	Bend	trans	-82	-4.3	175.4	44.5	0	0	0	0	113.8	R389	R389-S407 PolarHBondContact NH1-O 2.99Å
408	Y	68.9	Low	66.5	Low	110 Å²	110	64.9 Å²	64.9	43%	0.431	38%	0.377	S	S	.	.	S	Bend	trans	-132.9	137.3	-178.3	-60.8	-103.2	0	0	0	111.6	V386 F406 S410 G411 L412	V386-Y408 HydrophobicContact CG1-CD1 4.3Å; V386-Y408 HydrophobicContact CG1-CE1 3.36Å; V386-Y408 HydrophobicContact CG1-CE2 4.42Å; V386-Y408 VanDerWaalsContact CG1-CZ 3.42Å; V386-Y408 WeakPolarHBondContact CG1-OH 3.45Å; F406-Y408 VanDerWaalsContact C-N 3.28Å; Y408-S410 VanDerWaalsContact C-N 3.34Å; Y408-S410 PolarHBondContact O-N 2.84Å; Y408-G411 PolarHBondContact O-N 2.92Å; Y408-L412 PolarHBondContact O-N 3.43Å
409	S	66.4	Low	66.2	Low	70 Å²	70	61.2 Å²	61.2	49%	0.49	36%	0.361	S	S	.	.	H	α-helix	trans	-63	-38	171.8	51.7	0	0	0	0	112.6	L412 A413	S409-L412 PolarHBondContact O-N 3.04Å; S409-A413 WeakPolarHBondContact O-CB 3.36Å; S409-A413 PolarHBondContact O-N 3.1Å
410	S	65.9	Low	65.4	Low	74 Å²	74	64.4 Å²	64.4	52%	0.517	38%	0.382	S	S	.	.	H	α-helix	trans	-64.1	-40.2	173.5	52.3	0	0	0	0	112.3	Y408 A413 V414	Y408-S410 VanDerWaalsContact C-N 3.34Å; Y408-S410 PolarHBondContact O-N 2.84Å; S410-A413 PolarHBondContact O-N 3.16Å; S410-V414 WeakPolarHBondContact O-CB 3.45Å; S410-V414 VanDerWaalsContact O-CG2 3.28Å; S410-V414 WeakPolarHBondContact O-CG2 3.47Å; S410-V414 PolarHBondContact O-N 3.47Å
411	G	66.8	Low	64.4	Low	23 Å²	23	61.8 Å²	61.8	24%	0.237	39%	0.385	C	S	.	.	H	α-helix	trans	-62.1	-41.5	173.7	0	0	0	0	0	112.5	Y408 H415	Y408-G411 PolarHBondContact O-N 2.92Å; G411-H415 WeakPolarHBondContact O-CB 3.23Å; G411-H415 PolarHBondContact O-N 3.36Å
412	L	70.1	Confident	63.7	Low	21 Å²	21	65.2 Å²	65.2	11%	0.11	39%	0.392	C	S	.	.	H	α-helix	trans	-66.2	-44.7	172.4	175.2	63.7	0	0	0	112.3	K398 C399 F406 Y408 S409 V414 H415 K416	K398-L412 VanDerWaalsContact O-CD1 3.31Å; K398-L412 WeakPolarHBondContact O-CD1 3.24Å; K398-L412 WeakPolarHBondContact O-CD2 3.43Å; C399-L412 HydrophobicContact CB-CD1 3.52Å; F406-L412 HydrophobicContact CB-CB 4.4Å; F406-L412 HydrophobicContact CD2-CB 4.26Å; F406-L412 HydrophobicContact CD2-CD1 4.06Å; F406-L412 HydrophobicContact CE2-CD1 4.42Å; Y408-L412 PolarHBondContact O-N 3.43Å; S409-L412 PolarHBondContact O-N 3.04Å; L412-V414 VanDerWaalsContact C-N 3.3Å; L412-V414 PolarHBondContact O-N 2.81Å; L412-H415 CarbonylContact O-C 3.56Å; L412-H415 PolarHBondContact O-N 3.09Å; L412-H415 VanDerWaalsContact O-N 3.09Å; L412-K416 HydrophobicContact CD1-CD 4.29Å; L412-K416 HydrophobicContact CD1-CG 4.05Å; L412-K416 HydrophobicContact CG-CD 4.25Å; L412-K416 HydrophobicContact CG-CG 4.36Å; L412-K416 WeakPolarHBondContact O-CB 3.31Å; L412-K416 WeakPolarHBondContact O-CG 3.3Å; L412-K416 PolarHBondContact O-N 3.38Å
413	A	63.3	Low	62.9	Low	60 Å²	60	68.8 Å²	68.8	50%	0.496	40%	0.402	S	S	.	.	H	α-helix	trans	-60.5	-40.7	-179.7	0	0	0	0	0	111.8	S409 S410 K416 S417	S409-A413 WeakPolarHBondContact O-CB 3.36Å; S409-A413 PolarHBondContact O-N 3.1Å; S410-A413 PolarHBondContact O-N 3.16Å; A413-K416 PolarHBondContact O-N 3.33Å; A413-S417 PolarHBondContact O-N 3.47Å; A413-S417 VanDerWaalsContact O-N 3.1Å
414	V	60.3	Low	62.5	Low	32 Å²	32	69.4 Å²	69.4	19%	0.194	40%	0.401	C	S	.	.	H	α-helix	trans	-64.8	-43	171.5	167.2	0	0	0	0	111.6	S410 L412 K416 S417 Y436	S410-V414 WeakPolarHBondContact O-CB 3.45Å; S410-V414 VanDerWaalsContact O-CG2 3.28Å; S410-V414 WeakPolarHBondContact O-CG2 3.47Å; S410-V414 PolarHBondContact O-N 3.47Å; L412-V414 VanDerWaalsContact C-N 3.3Å; L412-V414 PolarHBondContact O-N 2.81Å; V414-K416 VanDerWaalsContact C-N 3.28Å; V414-K416 PolarHBondContact O-N 3.49Å; V414-S417 PolarHBondContact O-N 2.82Å; V414-S417 VanDerWaalsContact O-N 3.1Å; V414-S417 PolarHBondContact O-OG 3.16Å; V414-Y436 HydrophobicContact CG1-CE1 4.23Å; V414-Y436 HydrophobicContact CG1-CE2 3.66Å; V414-Y436 VanDerWaalsContact CG1-CZ 3.47Å; V414-Y436 WeakPolarHBondContact CG1-OH 3.19Å; V414-Y436 HydrophobicContact CG2-CE1 3.52Å; V414-Y436 HydrophobicContact CG2-CE2 4.48Å; V414-Y436 WeakPolarHBondContact CG2-OH 3.28Å
415	H	65.3	Low	62.1	Low	22 Å²	22	66.8 Å²	66.8	10%	0.102	39%	0.39	C	S	.	.	H	α-helix	trans	-65.1	-36.6	177.1	-175.5	46	0	0	0	111.8	C399 C402 F406 G411 L412 S417 I418 H419	C399-H415 VanDerWaalsContact SG-CD2 3.51Å; C402-H415 PolarHBondContact SG-NE2 3.38Å; F406-H415 HydrophobicContact CE1-CB 4.1Å; F406-H415 HydrophobicContact CE2-CB 3.73Å; F406-H415 AromaticContact CE2-CD2 3.3Å; F406-H415 WeakPolarHBondContact CE2-CD2 3.45Å; F406-H415 AromaticContact CE2-CG 3.63Å; F406-H415 HydrophobicContact CZ-CB 3.48Å; F406-H415 VanDerWaalsContact CZ-CB 3.48Å; F406-H415 AromaticContact CZ-CD2 3.43Å; F406-H415 VanDerWaalsContact CZ-CD2 3.43Å; F406-H415 WeakPolarHBondContact CZ-CD2 3.41Å; F406-H415 AromaticContact CZ-CG 3.35Å; G411-H415 WeakPolarHBondContact O-CB 3.23Å; G411-H415 PolarHBondContact O-N 3.36Å; L412-H415 CarbonylContact O-C 3.56Å; L412-H415 PolarHBondContact O-N 3.09Å; L412-H415 VanDerWaalsContact O-N 3.09Å; H415-S417 VanDerWaalsContact C-N 3.25Å; H415-S417 PolarHBondContact O-N 3.06Å; H415-I418 WeakPolarHBondContact O-CB 3.27Å; H415-I418 PolarHBondContact O-N 3.3Å; H415-I418 VanDerWaalsContact O-N 3.13Å; H415-H419 AromaticContact CD2-NE2 3.61Å; H415-H419 AromaticContact CE1-CE1 3.7Å; H415-H419 AromaticContact CE1-NE2 3.36Å; H415-H419 PolarHBondContact CE1-NE2 3.32Å; H415-H419 AromaticContact NE2-CE1 3.66Å; H415-H419 AromaticContact NE2-NE2 3.03Å; H415-H419 PolarHBondContact NE2-NE2 3.44Å; H415-H419 PolarHBondContact O-CD2 2.93Å
416	K	64.5	Low	61.3	Low	78 Å²	78	69.8 Å²	69.8	34%	0.339	40%	0.398	S	S	.	.	H	α-helix	trans	-67.6	-15.6	171.8	-75.7	-172.7	171.8	-171.1	0	113.9	D400 L412 A413 V414 I418 P420	D400-K416 IonicContact OD1-NZ 3.69Å; D400-K416 WeakPolarHBondContact OD2-CE 3.25Å; D400-K416 IonicContact OD2-NZ 3.21Å; D400-K416 PolarHBondContact OD2-NZ 3.44Å; L412-K416 HydrophobicContact CD1-CD 4.29Å; L412-K416 HydrophobicContact CD1-CG 4.05Å; L412-K416 HydrophobicContact CG-CD 4.25Å; L412-K416 HydrophobicContact CG-CG 4.36Å; L412-K416 WeakPolarHBondContact O-CB 3.31Å; L412-K416 WeakPolarHBondContact O-CG 3.3Å; L412-K416 PolarHBondContact O-N 3.38Å; A413-K416 PolarHBondContact O-N 3.33Å; V414-K416 VanDerWaalsContact C-N 3.28Å; V414-K416 PolarHBondContact O-N 3.49Å; K416-I418 VanDerWaalsContact C-N 3.35Å; K416-P420 WeakPolarHBondContact O-CD 3.39Å
417	S	60.6	Low	60.9	Low	43 Å²	43	67.2 Å²	67.2	30%	0.301	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	4.5	169.7	71.5	0	0	0	0	114.4	A413 V414 H415	A413-S417 PolarHBondContact O-N 3.47Å; A413-S417 VanDerWaalsContact O-N 3.1Å; V414-S417 PolarHBondContact O-N 2.82Å; V414-S417 VanDerWaalsContact O-N 3.1Å; V414-S417 PolarHBondContact O-OG 3.16Å; H415-S417 VanDerWaalsContact C-N 3.25Å; H415-S417 PolarHBondContact O-N 3.06Å
418	I	58.8	Low	60.8	Low	103 Å²	103	75.1 Å²	75.1	53%	0.528	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-25	172.3	-58.3	170.4	0	0	0	111.4	H415 K416	H415-I418 WeakPolarHBondContact O-CB 3.27Å; H415-I418 PolarHBondContact O-N 3.3Å; H415-I418 VanDerWaalsContact O-N 3.13Å; K416-I418 VanDerWaalsContact C-N 3.35Å
419	H	62.7	Low	60.5	Low	66 Å²	66	74.7 Å²	74.7	31%	0.306	42%	0.419	S	S	.	.	S	Bend	trans	-73.8	-57.1	-177.2	-69.1	-54.6	0	0	0	113.9	C399 V401 C402 H415	C399-H419 VanDerWaalsContact SG-CD2 3.58Å; C399-H419 PolarHBondContact SG-NE2 3.08Å; C399-H419 VanDerWaalsContact SG-NE2 3.37Å; V401-H419 HydrophobicContact CB-CB 4.44Å; V401-H419 HydrophobicContact CG1-CB 4.03Å; V401-H419 HydrophobicContact CG2-CB 4.48Å; C402-H419 PolarHBondContact SG-CE1 3.42Å; H415-H419 AromaticContact CD2-NE2 3.61Å; H415-H419 AromaticContact CE1-CE1 3.7Å; H415-H419 AromaticContact CE1-NE2 3.36Å; H415-H419 PolarHBondContact CE1-NE2 3.32Å; H415-H419 AromaticContact NE2-CE1 3.66Å; H415-H419 AromaticContact NE2-NE2 3.03Å; H415-H419 PolarHBondContact NE2-NE2 3.44Å; H415-H419 PolarHBondContact O-CD2 2.93Å
420	P	54.9	Low	60.2	Low	69 Å²	69	73.6 Å²	73.6	45%	0.448	41%	0.411	S	S	.	.	S	Bend	trans	-72.8	137.9	160.1	32.7	-30.6	0	0	0	108.2	K416 K422	K416-P420 WeakPolarHBondContact O-CD 3.39Å; P420-K422 PolarHBondContact O-N 2.56Å
421	G	50.6	Low	59.8	Low	71 Å²	71	72 Å²	72	73%	0.732	41%	0.406	S	S	*	.			trans	-67.4	25	-177.9	0	0	0	0	0	116.4	K423	G421-K423 PolarHBondContact O-N 3.38Å
422	K	51.3	Low	59.5	Low	170 Å²	170	76.4 Å²	76.4	74%	0.739	42%	0.419	S	S	*	.			trans	-73.5	69.3	179.4	-73.3	-166.2	174.3	-174.3	0	111.8	P420 A424	P420-K422 PolarHBondContact O-N 2.56Å; K422-A424 VanDerWaalsContact C-N 3.31Å; K422-A424 PolarHBondContact O-N 2.95Å
423	K	48.6	Very low	58.6	Low	128 Å²	128	76.5 Å²	76.5	56%	0.557	42%	0.421	S	S	*	.			trans	-57.5	79.9	168.8	-72	161.9	139.3	-152.5	0	112.1	G421 H425 S433	G421-K423 PolarHBondContact O-N 3.38Å; K423-H425 VanDerWaalsContact C-N 3.25Å; K423-H425 PolarHBondContact O-N 2.91Å; K423-H425 VanDerWaalsContact O-N 3.12Å; K423-S433 VanDerWaalsContact CB-CB 3.47Å; K423-S433 WeakPolarHBondContact CD-OG 3.24Å; K423-S433 WeakPolarHBondContact CE-OG 3.4Å; K423-S433 PolarHBondContact NZ-OG 3.28Å
424	A	57.9	Low	58.7	Low	71 Å²	71	76 Å²	76	59%	0.587	41%	0.408	S	S	*	.			trans	-64.1	-19.2	-169.6	0	0	0	0	0	116.1	K422	K422-A424 VanDerWaalsContact C-N 3.31Å; K422-A424 PolarHBondContact O-N 2.95Å
425	H	58.6	Low	58.5	Low	68 Å²	68	76.4 Å²	76.4	32%	0.315	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	99	-173.3	-61.8	-68.7	0	0	0	112.7	K423 F434 N437 L440	K423-H425 VanDerWaalsContact C-N 3.25Å; K423-H425 PolarHBondContact O-N 2.91Å; K423-H425 VanDerWaalsContact O-N 3.12Å; H425-F434 PolarHBondContact N-O 2.8Å; H425-F434 VanDerWaalsContact N-O 3.16Å; H425-F434 PolarHBondContact O-N 2.78Å; H425-N437 PolarHBondContact CD2-N 2.8Å; H425-L440 HydrophobicContact CB-CB 4.19Å; H425-L440 HydrophobicContact CB-CD2 3.86Å
426	E	54.3	Low	58.4	Low	101 Å²	101	80 Å²	80	47%	0.472	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	141.1	-179.2	-169.6	148.3	145.5	0	0	114.4	K428 G431 S433 L440	E426-K428 PolarHBondContact O-N 3.42Å; E426-G431 WeakPolarHBondContact OE1-CA 3.24Å; E426-S433 WeakPolarHBondContact OE2-CB 3.34Å; E426-S433 PolarHBondContact OE2-OG 2.65Å; E426-L440 WeakPolarHBondContact O-CD2 3.45Å
427	C	64.8	Low	58	Low	0 Å²	0	80.8 Å²	80.8	0%	0	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	100.4	170.8	-173.1	0	0	0	0	110.4	E429 C430 G431 K432 F434 L440 H447	C427-E429 PolarHBondContact O-N 3.25Å; C427-C430 PolarHBondContact O-N 3.04Å; C427-G431 PolarHBondContact O-N 3.39Å; C427-K432 VanDerWaalsContact CB-O 3.24Å; C427-K432 WeakPolarHBondContact CB-O 3.39Å; C427-K432 PolarHBondContact N-O 2.94Å; C427-F434 HydrophobicContact CB-CE2 4.43Å; C427-L440 HydrophobicContact CB-CD1 3.47Å; C427-L440 VanDerWaalsContact CB-CD1 3.47Å; C427-H447 PolarHBondContact SG-CD2 3.48Å; C427-H447 PolarHBondContact SG-NE2 3.16Å
428	K	62.6	Low	58.1	Low	197 Å²	197	82.5 Å²	82.5	86%	0.857	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-28	176.7	-66.7	-167.2	174.1	-168.6	0	113.7	E426	E426-K428 PolarHBondContact O-N 3.42Å
429	E	61.8	Low	58.3	Low	102 Å²	102	81.1 Å²	81.1	48%	0.477	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-13.5	-178	-60.6	158.4	115.5	0	0	114.2	C427 H447	C427-E429 PolarHBondContact O-N 3.25Å; E429-H447 WeakPolarHBondContact OE1-CB 3.26Å; E429-H447 IonicContact OE2-CD2 3.93Å; E429-H447 PolarHBondContact OE2-CD2 2.85Å; E429-H447 VanDerWaalsContact OE2-CD2 3.24Å; E429-H447 IonicContact OE2-CG 2.76Å
430	C	60.5	Low	58.4	Low	47 Å²	47	78.2 Å²	78.2	32%	0.318	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.6	16.1	179.3	71.8	0	0	0	0	117	C427 K432 H443 H447	C427-C430 PolarHBondContact O-N 3.04Å; C430-K432 PolarHBondContact O-N 3.07Å; C430-H443 PolarHBondContact SG-NE2 3.48Å; C430-H447 VanDerWaalsContact SG-CE1 3.5Å; C430-H447 PolarHBondContact SG-NE2 2.71Å
431	G	58.2	Low	58.8	Low	40 Å²	40	80.3 Å²	80.3	41%	0.412	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	8.3	178	0	0	0	0	0	115.3	E426 C427 S433	E426-G431 WeakPolarHBondContact OE1-CA 3.24Å; C427-G431 PolarHBondContact O-N 3.39Å; G431-S433 PolarHBondContact O-N 3Å; G431-S433 PolarHBondContact O-OG 3.41Å
432	K	58.8	Low	59.3	Low	116 Å²	116	81 Å²	81	50%	0.504	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	120.3	-179.8	-73.1	175.4	-173	136.6	0	110	C427 C430 F434	C427-K432 VanDerWaalsContact CB-O 3.24Å; C427-K432 WeakPolarHBondContact CB-O 3.39Å; C427-K432 PolarHBondContact N-O 2.94Å; C430-K432 PolarHBondContact O-N 3.07Å; K432-F434 HydrophobicContact CB-CE2 3.76Å; K432-F434 HydrophobicContact CB-CZ 3.99Å; K432-F434 WeakPolarHBondContact O-CD2 3.49Å; K432-F434 WeakPolarHBondContact O-CE2 3.45Å
433	S	53	Low	60.1	Low	23 Å²	23	73.7 Å²	73.7	16%	0.161	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.4	-171.1	-14	0	0	0	0	111	K423 E426 G431	K423-S433 VanDerWaalsContact CB-CB 3.47Å; K423-S433 WeakPolarHBondContact CD-OG 3.24Å; K423-S433 WeakPolarHBondContact CE-OG 3.4Å; K423-S433 PolarHBondContact NZ-OG 3.28Å; E426-S433 WeakPolarHBondContact OE2-CB 3.34Å; E426-S433 PolarHBondContact OE2-OG 2.65Å; G431-S433 PolarHBondContact O-N 3Å; G431-S433 PolarHBondContact O-OG 3.41Å
434	F	64.9	Low	60.9	Low	50 Å²	50	72.4 Å²	72.4	22%	0.219	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	155.3	-170.4	-61.2	-91.9	0	0	0	111.5	H425 C427 K432 Y436 L439 L440 H443	H425-F434 PolarHBondContact N-O 2.8Å; H425-F434 VanDerWaalsContact N-O 3.16Å; H425-F434 PolarHBondContact O-N 2.78Å; C427-F434 HydrophobicContact CB-CE2 4.43Å; K432-F434 HydrophobicContact CB-CE2 3.76Å; K432-F434 HydrophobicContact CB-CZ 3.99Å; K432-F434 WeakPolarHBondContact O-CD2 3.49Å; K432-F434 WeakPolarHBondContact O-CE2 3.45Å; F434-Y436 VanDerWaalsContact C-N 3.25Å; F434-Y436 PolarHBondContact O-N 3.18Å; F434-L439 HydrophobicContact CB-CB 4.37Å; F434-L439 HydrophobicContact CD1-CB 4.1Å; F434-L439 HydrophobicContact CG-CB 4.49Å; F434-L440 HydrophobicContact CB-CB 4.44Å; F434-L440 HydrophobicContact CD2-CB 4.17Å; F434-L440 HydrophobicContact CD2-CD1 4Å; F434-L440 HydrophobicContact CE2-CD1 4.27Å; F434-H443 HydrophobicContact CE1-CB 4.13Å; F434-H443 HydrophobicContact CE2-CB 3.83Å; F434-H443 AromaticContact CE2-CD2 3.28Å; F434-H443 WeakPolarHBondContact CE2-CD2 3.23Å; F434-H443 AromaticContact CE2-CG 3.55Å; F434-H443 HydrophobicContact CZ-CB 3.56Å; F434-H443 AromaticContact CZ-CD2 3.43Å; F434-H443 VanDerWaalsContact CZ-CD2 3.43Å; F434-H443 WeakPolarHBondContact CZ-CD2 3.36Å; F434-H443 AromaticContact CZ-CG 3.25Å; F434-H443 AromaticContact CZ-ND1 3.74Å; F434-H443 AromaticContact CZ-NE2 3.98Å
435	S	56.7	Low	61.1	Low	39 Å²	39	69.9 Å²	69.9	27%	0.273	35%	0.354	S	S	.	.	S	Bend	trans	-75.7	-7.9	175.6	50.6	0	0	0	0	114.3
436	Y	62.9	Low	61.3	Low	98 Å²	98	70.9 Å²	70.9	38%	0.384	36%	0.36	S	S	.	.			trans	-148.4	145.6	-178	-62.7	-85.9	0	0	0	112.4	V414 F434 S438 L439 L440	V414-Y436 HydrophobicContact CG1-CE1 4.23Å; V414-Y436 HydrophobicContact CG1-CE2 3.66Å; V414-Y436 VanDerWaalsContact CG1-CZ 3.47Å; V414-Y436 WeakPolarHBondContact CG1-OH 3.19Å; V414-Y436 HydrophobicContact CG2-CE1 3.52Å; V414-Y436 HydrophobicContact CG2-CE2 4.48Å; V414-Y436 WeakPolarHBondContact CG2-OH 3.28Å; F434-Y436 VanDerWaalsContact C-N 3.25Å; F434-Y436 PolarHBondContact O-N 3.18Å; Y436-S438 VanDerWaalsContact C-N 3.27Å; Y436-S438 PolarHBondContact O-N 2.97Å; Y436-L439 HydrophobicContact CD2-CD1 3.83Å; Y436-L439 HydrophobicContact CD2-CG 4.13Å; Y436-L439 HydrophobicContact CE2-CD1 4.48Å; Y436-L439 PolarHBondContact O-N 3.33Å; Y436-L440 PolarHBondContact O-N 3.36Å
437	N	55.5	Low	61.6	Low	94 Å²	94	69.3 Å²	69.3	50%	0.503	35%	0.353	S	S	.	.	H	α-helix	trans	-62.9	-31.2	169.9	-165.6	30.2	0	0	0	112.7	H425 L440 L441	H425-N437 PolarHBondContact CD2-N 2.8Å; N437-L440 PolarHBondContact O-N 3.4Å; N437-L441 VanDerWaalsContact O-CB 3.3Å; N437-L441 WeakPolarHBondContact O-CB 3.27Å; N437-L441 PolarHBondContact O-N 3.19Å
438	S	61.8	Low	61.4	Low	80 Å²	80	72.7 Å²	72.7	56%	0.559	37%	0.373	S	S	*	.	H	α-helix	trans	-67.6	-36.4	177.7	54.8	0	0	0	0	113.2	Y436 Q442	Y436-S438 VanDerWaalsContact C-N 3.27Å; Y436-S438 PolarHBondContact O-N 2.97Å; S438-Q442 WeakPolarHBondContact O-CB 3.42Å; S438-Q442 PolarHBondContact O-N 3.15Å
439	L	64.2	Low	61.2	Low	73 Å²	73	65.5 Å²	65.5	38%	0.382	36%	0.356	S	S	.	.	H	α-helix	trans	-74.8	-36	172.5	-65.1	-174.5	0	0	0	111.6	F434 Y436 H443	F434-L439 HydrophobicContact CB-CB 4.37Å; F434-L439 HydrophobicContact CD1-CB 4.1Å; F434-L439 HydrophobicContact CG-CB 4.49Å; Y436-L439 HydrophobicContact CD2-CD1 3.83Å; Y436-L439 HydrophobicContact CD2-CG 4.13Å; Y436-L439 HydrophobicContact CE2-CD1 4.48Å; Y436-L439 PolarHBondContact O-N 3.33Å; L439-H443 VanDerWaalsContact O-CB 3.25Å; L439-H443 WeakPolarHBondContact O-CB 3.43Å; L439-H443 PolarHBondContact O-N 2.98Å
440	L	65.3	Low	61.1	Low	6 Å²	6	66 Å²	66	3%	0.031	36%	0.358	C	S	.	.	H	α-helix	trans	-61.6	-44	170.8	173.4	59.9	0	0	0	111.5	H425 E426 C427 F434 Y436 N437 H443 R444	H425-L440 HydrophobicContact CB-CB 4.19Å; H425-L440 HydrophobicContact CB-CD2 3.86Å; E426-L440 WeakPolarHBondContact O-CD2 3.45Å; C427-L440 HydrophobicContact CB-CD1 3.47Å; C427-L440 VanDerWaalsContact CB-CD1 3.47Å; F434-L440 HydrophobicContact CB-CB 4.44Å; F434-L440 HydrophobicContact CD2-CB 4.17Å; F434-L440 HydrophobicContact CD2-CD1 4Å; F434-L440 HydrophobicContact CE2-CD1 4.27Å; Y436-L440 PolarHBondContact O-N 3.36Å; N437-L440 PolarHBondContact O-N 3.4Å; L440-H443 CarbonylContact O-C 3.14Å; L440-H443 WeakPolarHBondContact O-CA 3.45Å; L440-H443 WeakPolarHBondContact O-CB 3.48Å; L440-H443 PolarHBondContact O-N 2.81Å; L440-R444 HydrophobicContact CD1-CG 4.43Å; L440-R444 PolarHBondContact O-N 2.9Å
441	L	62.3	Low	61.4	Low	112 Å²	112	69.7 Å²	69.7	59%	0.586	37%	0.365	S	S	*	.	H	α-helix	trans	-65.7	-44.7	178.9	-169.8	66	0	0	0	111	N437 H443 R444 T445	N437-L441 VanDerWaalsContact O-CB 3.3Å; N437-L441 WeakPolarHBondContact O-CB 3.27Å; N437-L441 PolarHBondContact O-N 3.19Å; L441-H443 PolarHBondContact O-N 3.25Å; L441-R444 PolarHBondContact O-N 3.24Å; L441-R444 VanDerWaalsContact O-N 3.16Å; L441-T445 PolarHBondContact O-N 2.9Å
442	Q	61.4	Low	61.9	Low	87 Å²	87	72 Å²	72	41%	0.407	37%	0.373	S	S	.	.	H	α-helix	trans	-60.7	-28.6	169.6	-177.5	168.8	99.4	0	0	112.3	S438 T445 R463	S438-Q442 WeakPolarHBondContact O-CB 3.42Å; S438-Q442 PolarHBondContact O-N 3.15Å; Q442-T445 PolarHBondContact O-OG1 2.89Å; Q442-R463 HydrophobicContact CG-CG 4.13Å
443	H	68.8	Low	62.4	Low	15 Å²	15	71.1 Å²	71.1	7%	0.069	37%	0.367	C	S	.	.	H	α-helix	trans	-79.3	-29.2	174.6	179.4	62.2	0	0	0	113.9	C430 F434 L439 L440 L441 T445 I446 H447	C430-H443 PolarHBondContact SG-NE2 3.48Å; F434-H443 HydrophobicContact CE1-CB 4.13Å; F434-H443 HydrophobicContact CE2-CB 3.83Å; F434-H443 AromaticContact CE2-CD2 3.28Å; F434-H443 WeakPolarHBondContact CE2-CD2 3.23Å; F434-H443 AromaticContact CE2-CG 3.55Å; F434-H443 HydrophobicContact CZ-CB 3.56Å; F434-H443 AromaticContact CZ-CD2 3.43Å; F434-H443 VanDerWaalsContact CZ-CD2 3.43Å; F434-H443 WeakPolarHBondContact CZ-CD2 3.36Å; F434-H443 AromaticContact CZ-CG 3.25Å; F434-H443 AromaticContact CZ-ND1 3.74Å; F434-H443 AromaticContact CZ-NE2 3.98Å; L439-H443 VanDerWaalsContact O-CB 3.25Å; L439-H443 WeakPolarHBondContact O-CB 3.43Å; L439-H443 PolarHBondContact O-N 2.98Å; L440-H443 CarbonylContact O-C 3.14Å; L440-H443 WeakPolarHBondContact O-CA 3.45Å; L440-H443 WeakPolarHBondContact O-CB 3.48Å; L440-H443 PolarHBondContact O-N 2.81Å; L441-H443 PolarHBondContact O-N 3.25Å; H443-T445 PolarHBondContact O-N 2.65Å; H443-I446 WeakPolarHBondContact ND1-CD1 3.49Å; H443-I446 WeakPolarHBondContact O-CB 3.46Å; H443-I446 VanDerWaalsContact O-CG1 3.25Å; H443-I446 WeakPolarHBondContact O-CG1 3.36Å; H443-I446 PolarHBondContact O-N 3.02Å; H443-H447 AromaticContact CD2-NE2 3.96Å; H443-H447 AromaticContact CE1-NE2 3.86Å; H443-H447 AromaticContact NE2-NE2 3.31Å; H443-H447 PolarHBondContact NE2-NE2 3.11Å
444	R	64	Low	63	Low	101 Å²	101	73.3 Å²	73.3	38%	0.381	38%	0.379	S	S	.	.	H	α-helix	trans	-62	-30.3	173.2	-74	-176	-179.6	-148.6	0.7	112.2	L440 L441 I446 H447 T448	L440-R444 HydrophobicContact CD1-CG 4.43Å; L440-R444 PolarHBondContact O-N 2.9Å; L441-R444 PolarHBondContact O-N 3.24Å; L441-R444 VanDerWaalsContact O-N 3.16Å; R444-I446 PolarHBondContact O-N 3.49Å; R444-H447 PolarHBondContact O-N 3.36Å; R444-T448 PolarHBondContact O-N 2.76Å; R444-T448 PolarHBondContact O-OG1 2.95Å
445	T	63.2	Low	63.4	Low	19 Å²	19	70.9 Å²	70.9	12%	0.117	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	2.2	167.4	78.7	0	0	0	0	114.9	L441 Q442 H443 T448 E450 R463	L441-T445 PolarHBondContact O-N 2.9Å; Q442-T445 PolarHBondContact O-OG1 2.89Å; H443-T445 PolarHBondContact O-N 2.65Å; T445-T448 WeakPolarHBondContact CA-OG1 3.47Å; T445-E450 WeakPolarHBondContact CB-O 3.49Å; T445-R463 PolarHBondContact O-NE 3.08Å; T445-R463 PolarHBondContact O-NH2 2.83Å; T445-R463 WeakPolarHBondContact OG1-CD 3.42Å; T445-R463 VanDerWaalsContact OG1-CG 3.3Å; T445-R463 WeakPolarHBondContact OG1-CG 3.31Å; T445-R463 PolarHBondContact OG1-NE 2.73Å
446	I	62.8	Low	64	Low	88 Å²	88	74.5 Å²	74.5	45%	0.451	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-36.5	162.6	-54.7	-153.6	0	0	0	111	H443 R444	H443-I446 WeakPolarHBondContact ND1-CD1 3.49Å; H443-I446 WeakPolarHBondContact O-CB 3.46Å; H443-I446 VanDerWaalsContact O-CG1 3.25Å; H443-I446 WeakPolarHBondContact O-CG1 3.36Å; H443-I446 PolarHBondContact O-N 3.02Å; R444-I446 PolarHBondContact O-N 3.49Å
447	H	60.7	Low	64.2	Low	68 Å²	68	74 Å²	74	32%	0.315	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-46.6	-174	-52	-55	0	0	0	111.9	C427 E429 C430 H443 R444 G449	C427-H447 PolarHBondContact SG-CD2 3.48Å; C427-H447 PolarHBondContact SG-NE2 3.16Å; E429-H447 WeakPolarHBondContact OE1-CB 3.26Å; E429-H447 IonicContact OE2-CD2 3.93Å; E429-H447 PolarHBondContact OE2-CD2 2.85Å; E429-H447 VanDerWaalsContact OE2-CD2 3.24Å; E429-H447 IonicContact OE2-CG 2.76Å; C430-H447 VanDerWaalsContact SG-CE1 3.5Å; C430-H447 PolarHBondContact SG-NE2 2.71Å; H443-H447 AromaticContact CD2-NE2 3.96Å; H443-H447 AromaticContact CE1-NE2 3.86Å; H443-H447 AromaticContact NE2-NE2 3.31Å; H443-H447 PolarHBondContact NE2-NE2 3.11Å; R444-H447 PolarHBondContact O-N 3.36Å; H447-G449 PolarHBondContact O-N 3.17Å; H447-G449 VanDerWaalsContact O-N 3.13Å
448	T	59.6	Low	64.6	Low	71 Å²	71	71.5 Å²	71.5	44%	0.436	38%	0.382	S	S	.	.	S	Bend	trans	-67.5	-11	176.4	63.3	0	0	0	0	113.6	R444 T445 E450	R444-T448 PolarHBondContact O-N 2.76Å; R444-T448 PolarHBondContact O-OG1 2.95Å; T445-T448 WeakPolarHBondContact CA-OG1 3.47Å; T448-E450 VanDerWaalsContact CB-OE2 3.25Å; T448-E450 WeakPolarHBondContact CB-OE2 3.29Å; T448-E450 PolarHBondContact O-N 3.33Å; T448-E450 WeakPolarHBondContact OG1-CG 3.16Å; T448-E450 PolarHBondContact OG1-OE2 3.04Å
449	G	59.3	Low	64.7	Low	47 Å²	47	70.2 Å²	70.2	49%	0.485	38%	0.381	S	S	.	.			trans	70.9	-11.4	-177.9	0	0	0	0	0	115.3	H447 R451	H447-G449 PolarHBondContact O-N 3.17Å; H447-G449 VanDerWaalsContact O-N 3.13Å; G449-R451 WeakPolarHBondContact O-CG 3.46Å
450	E	59.3	Low	64.7	Low	113 Å²	113	71.9 Å²	71.9	53%	0.528	39%	0.385	S	S	.	.			trans	-56.2	132.7	-176.8	-64.7	168.4	121.2	0	0	112.4	T445 T448	T445-E450 WeakPolarHBondContact CB-O 3.49Å; T448-E450 VanDerWaalsContact CB-OE2 3.25Å; T448-E450 WeakPolarHBondContact CB-OE2 3.29Å; T448-E450 PolarHBondContact O-N 3.33Å; T448-E450 WeakPolarHBondContact OG1-CG 3.16Å; T448-E450 PolarHBondContact OG1-OE2 3.04Å
451	R	66.2	Low	64.7	Low	123 Å²	123	73.9 Å²	73.9	46%	0.464	40%	0.397	S	S	.	.			trans	-136.8	73.8	-177.2	-72.3	160.4	73.9	147.2	1.1	109.3	G449 Y453 T461 F462	G449-R451 WeakPolarHBondContact O-CG 3.46Å; R451-Y453 PolarHBondContact O-N 3.22Å; R451-T461 VanDerWaalsContact CB-CB 3.48Å; R451-T461 WeakPolarHBondContact CB-OG1 3.48Å; R451-T461 WeakPolarHBondContact CD-OG1 3.42Å; R451-T461 VanDerWaalsContact CZ-O 3.25Å; R451-T461 PolarHBondContact NE-O 3.29Å; R451-T461 PolarHBondContact NE-OG1 2.78Å; R451-T461 PolarHBondContact NH2-O 2.92Å; R451-T461 WeakPolarHBondContact O-CB 3.34Å; R451-F462 CarbonylContact C-O 3.54Å; R451-F462 WeakPolarHBondContact CA-O 3.41Å
452	P	69.2	Low	65.2	Low	89 Å²	89	70.6 Å²	70.6	58%	0.578	38%	0.379	S	S	*	.			trans	-62.5	-15	-164.4	-25.5	35.9	0	0	0	115.7	V454	P452-V454 PolarHBondContact O-N 3.08Å
453	Y	69.3	Low	65.2	Low	97 Å²	97	70.7 Å²	70.7	38%	0.38	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	84.1	-176.2	-58	-78	0	0	0	110	R451 T461 F462 N464 N465	R451-Y453 PolarHBondContact O-N 3.22Å; Y453-T461 CarbonylContact O-C 3.37Å; Y453-F462 PolarHBondContact N-O 3.2Å; Y453-F462 VanDerWaalsContact N-O 3.17Å; Y453-F462 PolarHBondContact O-N 2.92Å; Y453-N464 VanDerWaalsContact CD2-C 3.45Å; Y453-N465 HydrophobicContact CD1-CB 3.82Å; Y453-N465 HydrophobicContact CE1-CB 3.72Å; Y453-N465 HydrophobicContact CG-CB 4.42Å
454	V	65.8	Low	65.2	Low	69 Å²	69	72.7 Å²	72.7	42%	0.418	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	150.2	176.1	-168	0	0	0	0	110.5	P452 T461 L468	P452-V454 PolarHBondContact O-N 3.08Å; V454-T461 HydrophobicContact CG1-CG2 4.39Å; V454-T461 HydrophobicContact CG2-CG2 4.19Å; V454-L468 VanDerWaalsContact O-CD1 3.3Å; V454-L468 WeakPolarHBondContact O-CD1 3.25Å; V454-L468 VanDerWaalsContact O-CD2 3.22Å; V454-L468 WeakPolarHBondContact O-CD2 3.21Å
455	C	73.3	Confident	65.4	Low	0 Å²	0	72.4 Å²	72.4	0%	0	39%	0.392	C	S	.	.			trans	-105.5	110.3	169.9	-172.6	0	0	0	0	110.6	V457 C458 G459 K460 F462 L468 H471	C455-V457 PolarHBondContact O-N 2.71Å; C455-V457 VanDerWaalsContact O-N 3.1Å; C455-C458 PolarHBondContact O-N 2.84Å; C455-G459 WeakPolarHBondContact O-CA 3.45Å; C455-G459 PolarHBondContact O-N 2.99Å; C455-K460 VanDerWaalsContact CB-O 3.23Å; C455-K460 WeakPolarHBondContact CB-O 3.45Å; C455-K460 PolarHBondContact N-O 3.08Å; C455-F462 HydrophobicContact CB-CE2 4.23Å; C455-L468 HydrophobicContact CB-CD1 3.53Å; C455-H471 VanDerWaalsContact SG-CD2 3.56Å
456	D	68.9	Low	65.8	Low	114 Å²	114	74.7 Å²	74.7	61%	0.61	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-24.2	-170	-30	-78.4	0	0	0	112.8	R472	D456-R472 IonicContact OD2-CZ 2.56Å; D456-R472 IonicContact OD2-NE 2.8Å; D456-R472 PolarHBondContact OD2-NE 2.96Å; D456-R472 IonicContact OD2-NH2 3.38Å; D456-R472 PolarHBondContact OD2-NH2 3.39Å
457	V	68.1	Low	66.2	Low	88 Å²	88	71.6 Å²	71.6	53%	0.533	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-17.9	-179.2	-175.6	0	0	0	0	113	C455 H475	C455-V457 PolarHBondContact O-N 2.71Å; C455-V457 VanDerWaalsContact O-N 3.1Å; V457-H475 HydrophobicContact CG1-CB 4.06Å
458	C	63.5	Low	66.8	Low	42 Å²	42	69.2 Å²	69.2	28%	0.284	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.3	19.6	-178.5	75.6	0	0	0	0	116.8	C455 K460 H471 H475	C455-C458 PolarHBondContact O-N 2.84Å; C458-K460 PolarHBondContact O-N 2.78Å; C458-K460 PolarHBondContact SG-NZ 3.09Å; C458-H471 PolarHBondContact SG-NE2 2.88Å; C458-H475 WeakPolarHBondContact CB-NE2 3.41Å; C458-H475 PolarHBondContact SG-NE2 3.03Å
459	G	62.9	Low	67.3	Low	53 Å²	53	72.4 Å²	72.4	55%	0.546	40%	0.4	S	S	.	.			trans	65.2	-4.6	178.5	0	0	0	0	0	116.1	C455 T461	C455-G459 WeakPolarHBondContact O-CA 3.45Å; C455-G459 PolarHBondContact O-N 2.99Å; G459-T461 WeakPolarHBondContact O-CG2 3.45Å; G459-T461 PolarHBondContact O-N 3.35Å
460	K	65.7	Low	67.8	Low	108 Å²	108	73 Å²	73	47%	0.47	39%	0.394	S	S	.	.			trans	-69.6	122.6	-174	-70.4	-176.6	-170.4	75.8	0	110.8	C455 C458 F462	C455-K460 VanDerWaalsContact CB-O 3.23Å; C455-K460 WeakPolarHBondContact CB-O 3.45Å; C455-K460 PolarHBondContact N-O 3.08Å; C458-K460 PolarHBondContact O-N 2.78Å; C458-K460 PolarHBondContact SG-NZ 3.09Å; K460-F462 HydrophobicContact CB-CE2 3.81Å; K460-F462 HydrophobicContact CB-CZ 4.15Å; K460-F462 VanDerWaalsContact O-CD2 3.25Å; K460-F462 WeakPolarHBondContact O-CD2 3.49Å; K460-F462 WeakPolarHBondContact O-CE2 3.22Å
461	T	64.6	Low	68.4	Low	47 Å²	47	68.6 Å²	68.6	29%	0.288	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	145.4	-175.6	62.8	0	0	0	0	112.1	R451 Y453 V454 G459	R451-T461 VanDerWaalsContact CB-CB 3.48Å; R451-T461 WeakPolarHBondContact CB-OG1 3.48Å; R451-T461 WeakPolarHBondContact CD-OG1 3.42Å; R451-T461 VanDerWaalsContact CZ-O 3.25Å; R451-T461 PolarHBondContact NE-O 3.29Å; R451-T461 PolarHBondContact NE-OG1 2.78Å; R451-T461 PolarHBondContact NH2-O 2.92Å; R451-T461 WeakPolarHBondContact O-CB 3.34Å; Y453-T461 CarbonylContact O-C 3.37Å; V454-T461 HydrophobicContact CG1-CG2 4.39Å; V454-T461 HydrophobicContact CG2-CG2 4.19Å; G459-T461 WeakPolarHBondContact O-CG2 3.45Å; G459-T461 PolarHBondContact O-N 3.35Å
462	F	71.9	Confident	68.7	Low	44 Å²	44	68.3 Å²	68.3	19%	0.193	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	151.4	-176.1	-65.9	-90.1	0	0	0	112.6	R451 Y453 C455 K460 L468 H471	R451-F462 CarbonylContact C-O 3.54Å; R451-F462 WeakPolarHBondContact CA-O 3.41Å; Y453-F462 PolarHBondContact N-O 3.2Å; Y453-F462 VanDerWaalsContact N-O 3.17Å; Y453-F462 PolarHBondContact O-N 2.92Å; C455-F462 HydrophobicContact CB-CE2 4.23Å; K460-F462 HydrophobicContact CB-CE2 3.81Å; K460-F462 HydrophobicContact CB-CZ 4.15Å; K460-F462 VanDerWaalsContact O-CD2 3.25Å; K460-F462 WeakPolarHBondContact O-CD2 3.49Å; K460-F462 WeakPolarHBondContact O-CE2 3.22Å; F462-L468 HydrophobicContact CB-CB 4.26Å; F462-L468 HydrophobicContact CD2-CB 4.23Å; F462-L468 HydrophobicContact CD2-CD1 4.02Å; F462-L468 HydrophobicContact CE2-CD1 4.41Å; F462-L468 HydrophobicContact CG-CB 4.36Å; F462-H471 HydrophobicContact CE1-CB 3.93Å; F462-H471 HydrophobicContact CE2-CB 3.83Å; F462-H471 AromaticContact CE2-CD2 3.22Å; F462-H471 WeakPolarHBondContact CE2-CD2 3.18Å; F462-H471 AromaticContact CE2-CG 3.59Å; F462-H471 AromaticContact CE2-NE2 3.99Å; F462-H471 HydrophobicContact CZ-CB 3.46Å; F462-H471 VanDerWaalsContact CZ-CB 3.46Å; F462-H471 AromaticContact CZ-CD2 3.31Å; F462-H471 WeakPolarHBondContact CZ-CD2 3.35Å; F462-H471 AromaticContact CZ-CG 3.22Å; F462-H471 AromaticContact CZ-ND1 3.85Å; F462-H471 AromaticContact CZ-NE2 3.93Å
463	R	62.7	Low	68.9	Low	89 Å²	89	66 Å²	66	34%	0.336	35%	0.352	S	S	.	.	S	Bend	trans	-73.4	-24.9	177.8	176	165.5	-62.7	124	12.1	113.7	Q442 T445	Q442-R463 HydrophobicContact CG-CG 4.13Å; T445-R463 PolarHBondContact O-NE 3.08Å; T445-R463 PolarHBondContact O-NH2 2.83Å; T445-R463 WeakPolarHBondContact OG1-CD 3.42Å; T445-R463 VanDerWaalsContact OG1-CG 3.3Å; T445-R463 WeakPolarHBondContact OG1-CG 3.31Å; T445-R463 PolarHBondContact OG1-NE 2.73Å
464	N	68.8	Low	68.6	Low	57 Å²	57	66.4 Å²	66.4	31%	0.305	36%	0.361	S	S	.	.	S	Bend	trans	-147.4	149.3	-178.4	57.3	19.3	0	0	0	111.9	Y453 A466 G467 L468	Y453-N464 VanDerWaalsContact CD2-C 3.45Å; N464-A466 PolarHBondContact O-N 2.98Å; N464-G467 PolarHBondContact O-N 3.2Å; N464-G467 WeakPolarHBondContact OD1-CA 3.35Å; N464-G467 PolarHBondContact OD1-N 3.44Å; N464-L468 PolarHBondContact O-N 3.45Å; N464-L468 VanDerWaalsContact O-N 3.14Å
465	N	68.4	Low	68.5	Low	94 Å²	94	67.5 Å²	67.5	50%	0.503	36%	0.361	S	S	.	.	H	α-helix	trans	-57.9	-33.9	178.1	-166.6	-4.7	0	0	0	111.9	Y453 G467 L468 K469	Y453-N465 HydrophobicContact CD1-CB 3.82Å; Y453-N465 HydrophobicContact CE1-CB 3.72Å; Y453-N465 HydrophobicContact CG-CB 4.42Å; N465-G467 VanDerWaalsContact C-N 3.33Å; N465-G467 PolarHBondContact O-N 3.38Å; N465-L468 PolarHBondContact O-N 3.09Å; N465-K469 WeakPolarHBondContact O-CB 3.25Å; N465-K469 PolarHBondContact O-N 2.88Å
466	A	71	Confident	68	Low	68 Å²	68	71.6 Å²	71.6	56%	0.562	39%	0.386	S	S	*	.	H	α-helix	trans	-60	-40.3	174.4	0	0	0	0	0	112.9	N464 V470	N464-A466 PolarHBondContact O-N 2.98Å; A466-V470 WeakPolarHBondContact O-CG2 3.49Å; A466-V470 PolarHBondContact O-N 3.45Å; A466-V470 VanDerWaalsContact O-N 3.11Å
467	G	70.2	Confident	67.7	Low	22 Å²	22	68.1 Å²	68.1	23%	0.227	38%	0.377	C	S	.	.	H	α-helix	trans	-67	-44.4	174	0	0	0	0	0	112.2	N464 N465 V470 H471	N464-G467 PolarHBondContact O-N 3.2Å; N464-G467 WeakPolarHBondContact OD1-CA 3.35Å; N464-G467 PolarHBondContact OD1-N 3.44Å; N465-G467 VanDerWaalsContact C-N 3.33Å; N465-G467 PolarHBondContact O-N 3.38Å; G467-V470 PolarHBondContact O-N 3.3Å; G467-H471 WeakPolarHBondContact O-CB 3.43Å; G467-H471 PolarHBondContact O-N 2.97Å
468	L	73.8	Confident	67.6	Low	18 Å²	18	68.2 Å²	68.2	9%	0.094	37%	0.372	C	S	.	.	H	α-helix	trans	-60.2	-44.9	174.4	174.4	60.9	0	0	0	112	V454 C455 F462 N464 N465 V470 H471 R472	V454-L468 VanDerWaalsContact O-CD1 3.3Å; V454-L468 WeakPolarHBondContact O-CD1 3.25Å; V454-L468 VanDerWaalsContact O-CD2 3.22Å; V454-L468 WeakPolarHBondContact O-CD2 3.21Å; C455-L468 HydrophobicContact CB-CD1 3.53Å; F462-L468 HydrophobicContact CB-CB 4.26Å; F462-L468 HydrophobicContact CD2-CB 4.23Å; F462-L468 HydrophobicContact CD2-CD1 4.02Å; F462-L468 HydrophobicContact CE2-CD1 4.41Å; F462-L468 HydrophobicContact CG-CB 4.36Å; N464-L468 PolarHBondContact O-N 3.45Å; N464-L468 VanDerWaalsContact O-N 3.14Å; N465-L468 PolarHBondContact O-N 3.09Å; L468-V470 VanDerWaalsContact C-N 3.35Å; L468-V470 PolarHBondContact O-N 3.29Å; L468-H471 CarbonylContact O-C 3.49Å; L468-H471 WeakPolarHBondContact O-CA 3.44Å; L468-H471 WeakPolarHBondContact O-CB 3.28Å; L468-H471 PolarHBondContact O-N 3.43Å; L468-R472 HydrophobicContact CD1-CG 4.33Å; L468-R472 PolarHBondContact O-N 2.89Å
469	K	69.5	Low	68	Low	138 Å²	138	71.8 Å²	71.8	60%	0.6	38%	0.383	S	S	*	.	H	α-helix	trans	-67.5	-32.3	180	-170	162.3	-174.3	164.7	0	112.8	N465	N465-K469 WeakPolarHBondContact O-CB 3.25Å; N465-K469 PolarHBondContact O-N 2.88Å
470	V	70.5	Confident	68.6	Low	60 Å²	60	72.4 Å²	72.4	36%	0.364	38%	0.377	S	S	.	.	H	α-helix	trans	-73.2	-30.8	169.3	172.4	0	0	0	0	111.5	A466 G467 L468 I491	A466-V470 WeakPolarHBondContact O-CG2 3.49Å; A466-V470 PolarHBondContact O-N 3.45Å; A466-V470 VanDerWaalsContact O-N 3.11Å; G467-V470 PolarHBondContact O-N 3.3Å; L468-V470 VanDerWaalsContact C-N 3.35Å; L468-V470 PolarHBondContact O-N 3.29Å; V470-I491 HydrophobicContact CG1-CG2 4.38Å
471	H	73.1	Confident	69	Low	21 Å²	21	70.3 Å²	70.3	10%	0.097	37%	0.367	C	S	.	.	H	α-helix	trans	-74.4	-42.3	176.6	-179.2	55.3	0	0	0	113.7	C455 C458 F462 G467 L468 R473 L474	C455-H471 VanDerWaalsContact SG-CD2 3.56Å; C458-H471 PolarHBondContact SG-NE2 2.88Å; F462-H471 HydrophobicContact CE1-CB 3.93Å; F462-H471 HydrophobicContact CE2-CB 3.83Å; F462-H471 AromaticContact CE2-CD2 3.22Å; F462-H471 WeakPolarHBondContact CE2-CD2 3.18Å; F462-H471 AromaticContact CE2-CG 3.59Å; F462-H471 AromaticContact CE2-NE2 3.99Å; F462-H471 HydrophobicContact CZ-CB 3.46Å; F462-H471 VanDerWaalsContact CZ-CB 3.46Å; F462-H471 AromaticContact CZ-CD2 3.31Å; F462-H471 WeakPolarHBondContact CZ-CD2 3.35Å; F462-H471 AromaticContact CZ-CG 3.22Å; F462-H471 AromaticContact CZ-ND1 3.85Å; F462-H471 AromaticContact CZ-NE2 3.93Å; G467-H471 WeakPolarHBondContact O-CB 3.43Å; G467-H471 PolarHBondContact O-N 2.97Å; L468-H471 CarbonylContact O-C 3.49Å; L468-H471 WeakPolarHBondContact O-CA 3.44Å; L468-H471 WeakPolarHBondContact O-CB 3.28Å; L468-H471 PolarHBondContact O-N 3.43Å; H471-R473 PolarHBondContact O-N 2.82Å; H471-R473 VanDerWaalsContact O-N 3.13Å; H471-L474 WeakPolarHBondContact ND1-CD1 3.24Å; H471-L474 VanDerWaalsContact O-CB 3.27Å; H471-L474 WeakPolarHBondContact O-CB 3.39Å; H471-L474 PolarHBondContact O-N 3Å
472	R	70.8	Confident	69.1	Low	116 Å²	116	75.2 Å²	75.2	44%	0.438	38%	0.384	S	S	.	.	H	α-helix	trans	-54.7	-32.6	177.5	-92.8	175.3	151.7	-106.2	9.3	112.5	D456 L468 L474 H475 T476	D456-R472 IonicContact OD2-CZ 2.56Å; D456-R472 IonicContact OD2-NE 2.8Å; D456-R472 PolarHBondContact OD2-NE 2.96Å; D456-R472 IonicContact OD2-NH2 3.38Å; D456-R472 PolarHBondContact OD2-NH2 3.39Å; L468-R472 HydrophobicContact CD1-CG 4.33Å; L468-R472 PolarHBondContact O-N 2.89Å; R472-L474 PolarHBondContact O-N 3.44Å; R472-H475 WeakPolarHBondContact O-CB 3.45Å; R472-H475 PolarHBondContact O-N 2.9Å; R472-T476 PolarHBondContact O-N 3.5Å
473	R	74.7	Confident	69.4	Low	40 Å²	40	73.1 Å²	73.1	15%	0.151	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-14.4	173	-66.9	179.5	175.4	154.4	0.8	115.8	H471 H475 T476 G477 E478 I491	H471-R473 PolarHBondContact O-N 2.82Å; H471-R473 VanDerWaalsContact O-N 3.13Å; R473-H475 VanDerWaalsContact C-N 3.3Å; R473-T476 WeakPolarHBondContact CA-OG1 3.29Å; R473-G477 CarbonylContact O-C 3.46Å; R473-G477 PolarHBondContact O-N 2.9Å; R473-E478 HydrophobicContact CB-CB 4.09Å; R473-E478 HydrophobicContact CG-CB 3.96Å; R473-E478 IonicContact NE-OE2 2.65Å; R473-E478 PolarHBondContact O-N 3.35Å; R473-I491 HydrophobicContact CB-CG2 3.49Å; R473-I491 VanDerWaalsContact CB-CG2 3.49Å; R473-I491 HydrophobicContact CG-CG2 4.42Å; R473-I491 PolarHBondContact NH1-O 3.17Å
474	L	61.6	Low	69.9	Low	107 Å²	107	75 Å²	75	56%	0.56	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-23.2	168.4	-72.3	156.4	0	0	0	111.7	H471 R472 I491	H471-L474 WeakPolarHBondContact ND1-CD1 3.24Å; H471-L474 VanDerWaalsContact O-CB 3.27Å; H471-L474 WeakPolarHBondContact O-CB 3.39Å; H471-L474 PolarHBondContact O-N 3Å; R472-L474 PolarHBondContact O-N 3.44Å; L474-I491 HydrophobicContact CD2-CD1 3.42Å; L474-I491 VanDerWaalsContact CD2-CD1 3.42Å; L474-I491 HydrophobicContact CG-CD1 3.94Å
475	H	63.9	Low	69.8	Low	91 Å²	91	77.1 Å²	77.1	42%	0.421	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-44.6	175.2	-59.8	-61.3	0	0	0	111.8	V457 C458 R472 R473 G477	V457-H475 HydrophobicContact CG1-CB 4.06Å; C458-H475 WeakPolarHBondContact CB-NE2 3.41Å; C458-H475 PolarHBondContact SG-NE2 3.03Å; R472-H475 WeakPolarHBondContact O-CB 3.45Å; R472-H475 PolarHBondContact O-N 2.9Å; R473-H475 VanDerWaalsContact C-N 3.3Å; H475-G477 PolarHBondContact O-N 3.46Å
476	T	63.6	Low	69.8	Low	86 Å²	86	74.9 Å²	74.9	53%	0.528	40%	0.398	S	S	.	.	S	Bend	trans	-76.9	-2.8	177.2	61.7	0	0	0	0	113.7	R472 R473 E478	R472-T476 PolarHBondContact O-N 3.5Å; R473-T476 WeakPolarHBondContact CA-OG1 3.29Å; T476-E478 WeakPolarHBondContact CB-OE1 3.23Å; T476-E478 PolarHBondContact O-N 3.02Å; T476-E478 VanDerWaalsContact OG1-CD 3.28Å; T476-E478 WeakPolarHBondContact OG1-CG 3.18Å; T476-E478 PolarHBondContact OG1-OE1 3.07Å
477	G	63.3	Low	69.6	Low	41 Å²	41	74.3 Å²	74.3	42%	0.423	40%	0.398	S	S	.	.			trans	69.2	-7.8	-177.8	0	0	0	0	0	115.4	R473 H475 K479	R473-G477 CarbonylContact O-C 3.46Å; R473-G477 PolarHBondContact O-N 2.9Å; H475-G477 PolarHBondContact O-N 3.46Å; G477-K479 PolarHBondContact O-N 3.07Å
478	E	65.8	Low	69.6	Low	91 Å²	91	79.1 Å²	79.1	43%	0.425	41%	0.413	S	S	.	.			trans	-49.1	122.9	-177.4	-83.1	170.8	-114.6	0	0	113.3	R473 T476 P480	R473-E478 HydrophobicContact CB-CB 4.09Å; R473-E478 HydrophobicContact CG-CB 3.96Å; R473-E478 IonicContact NE-OE2 2.65Å; R473-E478 PolarHBondContact O-N 3.35Å; T476-E478 WeakPolarHBondContact CB-OE1 3.23Å; T476-E478 PolarHBondContact O-N 3.02Å; T476-E478 VanDerWaalsContact OG1-CD 3.28Å; T476-E478 WeakPolarHBondContact OG1-CG 3.18Å; T476-E478 PolarHBondContact OG1-OE1 3.07Å; E478-P480 HydrophobicContact CB-CG 4.46Å
479	K	70.9	Confident	69.5	Low	116 Å²	116	80 Å²	80	50%	0.504	42%	0.423	S	S	.	.			trans	-124.9	71.6	173.6	-68.7	152.7	-169.1	160.7	0	110.5	G477 Y481 A489 Y490 I491	G477-K479 PolarHBondContact O-N 3.07Å; K479-Y481 PolarHBondContact O-N 2.99Å; K479-Y481 VanDerWaalsContact O-N 3.09Å; K479-A489 HydrophobicContact CB-CB 3.5Å; K479-A489 VanDerWaalsContact CB-CB 3.5Å; K479-A489 HydrophobicContact CD-CB 4.29Å; K479-A489 HydrophobicContact CG-CB 4.41Å; K479-Y490 CarbonylContact C-O 3.38Å; K479-Y490 VanDerWaalsContact C-O 3.24Å; K479-Y490 WeakPolarHBondContact CA-O 3.4Å; K479-I491 HydrophobicContact CG-CG1 3.8Å
480	P	75.4	Confident	69.8	Low	67 Å²	67	76.2 Å²	76.2	44%	0.435	41%	0.405	S	S	.	.			trans	-66.3	-16.2	-170.8	-21.2	34.8	0	0	0	114.4	E478 K482	E478-P480 HydrophobicContact CB-CG 4.46Å; P480-K482 PolarHBondContact O-N 2.73Å
481	Y	74.9	Confident	69.6	Low	64 Å²	64	75 Å²	75	25%	0.251	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-102.9	79	-174.5	-52	-73.3	0	0	0	110.1	K479 Y490 I491 S492 R493	K479-Y481 PolarHBondContact O-N 2.99Å; K479-Y481 VanDerWaalsContact O-N 3.09Å; Y481-Y490 WeakPolarHBondContact CB-O 3.49Å; Y481-Y490 WeakPolarHBondContact CD2-O 3.42Å; Y481-Y490 PolarHBondContact N-O 3.23Å; Y481-Y490 PolarHBondContact O-N 2.99Å; Y481-I491 WeakPolarHBondContact CE2-O 3.46Å; Y481-S492 VanDerWaalsContact CD2-CA 3.48Å; Y481-R493 HydrophobicContact CD1-CB 4.01Å; Y481-R493 HydrophobicContact CD1-CG 4.45Å; Y481-R493 VanDerWaalsContact CD2-N 3.34Å; Y481-R493 HydrophobicContact CE1-CB 3.88Å; Y481-R493 HydrophobicContact CE1-CG 4.49Å; Y481-R493 HydrophobicContact CG-CB 4.39Å
482	K	67.1	Low	69.7	Low	150 Å²	150	74.9 Å²	74.9	65%	0.652	40%	0.398	S	S	*	.			trans	-62.5	154.4	171.1	-65.6	-176.9	-179.3	179.3	0	111	P480 A489 L496	P480-K482 PolarHBondContact O-N 2.73Å; K482-A489 HydrophobicContact CG-CB 4.14Å; K482-L496 WeakPolarHBondContact O-CD1 3.4Å; K482-L496 VanDerWaalsContact O-CD2 3.25Å; K482-L496 WeakPolarHBondContact O-CD2 3.35Å
483	C	77.9	Confident	69.7	Low	0 Å²	0	78.3 Å²	78.3	0%	0	41%	0.411	C	S	.	.			trans	-111	104.3	177.4	-176.2	0	0	0	0	110.8	V485 C486 G487 K488 Y490 L496 H499 H503	C483-V485 PolarHBondContact O-N 3.04Å; C483-C486 CarbonylContact O-C 3.58Å; C483-C486 PolarHBondContact O-N 3.47Å; C483-G487 WeakPolarHBondContact O-CA 3.07Å; C483-G487 PolarHBondContact O-N 3.17Å; C483-K488 WeakPolarHBondContact CB-O 3.42Å; C483-K488 PolarHBondContact N-O 2.81Å; C483-Y490 HydrophobicContact CB-CE2 4.35Å; C483-L496 HydrophobicContact CB-CD1 3.53Å; C483-H499 PolarHBondContact SG-CD2 3.31Å; C483-H503 PolarHBondContact SG-NE2 3.3Å; C483-H503 VanDerWaalsContact SG-NE2 3.45Å
484	D	72.4	Confident	69.4	Low	129 Å²	129	80.4 Å²	80.4	69%	0.69	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-31.1	-174	-20.4	-37.3	0	0	0	113.6	K500	D484-K500 IonicContact OD1-NZ 3.48Å; D484-K500 WeakPolarHBondContact OD2-CE 3.43Å; D484-K500 IonicContact OD2-NZ 3.11Å; D484-K500 PolarHBondContact OD2-NZ 3.15Å
485	V	67.4	Low	69.9	Low	100 Å²	100	77.8 Å²	77.8	61%	0.606	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-17.8	-179.6	-172.4	0	0	0	0	114.3	C483 H503	C483-V485 PolarHBondContact O-N 3.04Å; V485-H503 HydrophobicContact CB-CB 4.45Å; V485-H503 HydrophobicContact CG1-CB 3.97Å
486	C	68.8	Low	70.3	Confident	48 Å²	48	74.3 Å²	74.3	32%	0.324	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.3	20.1	-178.2	74.9	0	0	0	0	116	C483 K488 H499 H503	C483-C486 CarbonylContact O-C 3.58Å; C483-C486 PolarHBondContact O-N 3.47Å; C486-K488 PolarHBondContact O-N 3.35Å; C486-H499 PolarHBondContact SG-NE2 2.85Å; C486-H503 PolarHBondContact SG-CE1 3.26Å; C486-H503 PolarHBondContact SG-NE2 2.88Å
487	G	66.9	Low	70.6	Confident	55 Å²	55	78.1 Å²	78.1	57%	0.567	42%	0.416	S	S	*	.			trans	69	-24	-179.7	0	0	0	0	0	116.6	C483 A489	C483-G487 WeakPolarHBondContact O-CA 3.07Å; C483-G487 PolarHBondContact O-N 3.17Å; G487-A489 PolarHBondContact O-N 3.23Å
488	K	68.7	Low	70.6	Confident	124 Å²	124	79.8 Å²	79.8	54%	0.539	42%	0.415	S	S	.	.			trans	-56.4	125.3	-170.1	-72.6	172.2	-174.1	156.6	0	112.5	C483 C486 Y490	C483-K488 WeakPolarHBondContact CB-O 3.42Å; C483-K488 PolarHBondContact N-O 2.81Å; C486-K488 PolarHBondContact O-N 3.35Å; K488-Y490 HydrophobicContact CB-CE2 3.75Å; K488-Y490 VanDerWaalsContact O-CD2 3.29Å; K488-Y490 WeakPolarHBondContact O-CD2 3.19Å; K488-Y490 WeakPolarHBondContact O-CE2 3.45Å
489	A	72.3	Confident	70.8	Confident	37 Å²	37	76.2 Å²	76.2	31%	0.306	40%	0.398	S	S	.	.			trans	-101.4	137	-172.4	0	0	0	0	0	112.5	K479 K482 G487	K479-A489 HydrophobicContact CB-CB 3.5Å; K479-A489 VanDerWaalsContact CB-CB 3.5Å; K479-A489 HydrophobicContact CD-CB 4.29Å; K479-A489 HydrophobicContact CG-CB 4.41Å; K482-A489 HydrophobicContact CG-CB 4.14Å; G487-A489 PolarHBondContact O-N 3.23Å
490	Y	75.1	Confident	70.5	Confident	58 Å²	58	74.1 Å²	74.1	23%	0.227	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-123.9	151.2	-173.7	-65.8	-87.4	0	0	0	113.1	K479 Y481 C483 K488 L496 H499	K479-Y490 CarbonylContact C-O 3.38Å; K479-Y490 VanDerWaalsContact C-O 3.24Å; K479-Y490 WeakPolarHBondContact CA-O 3.4Å; Y481-Y490 WeakPolarHBondContact CB-O 3.49Å; Y481-Y490 WeakPolarHBondContact CD2-O 3.42Å; Y481-Y490 PolarHBondContact N-O 3.23Å; Y481-Y490 PolarHBondContact O-N 2.99Å; C483-Y490 HydrophobicContact CB-CE2 4.35Å; K488-Y490 HydrophobicContact CB-CE2 3.75Å; K488-Y490 VanDerWaalsContact O-CD2 3.29Å; K488-Y490 WeakPolarHBondContact O-CD2 3.19Å; K488-Y490 WeakPolarHBondContact O-CE2 3.45Å; Y490-L496 HydrophobicContact CD2-CB 4.44Å; Y490-L496 HydrophobicContact CD2-CD1 4.1Å; Y490-H499 HydrophobicContact CE1-CB 4.23Å; Y490-H499 HydrophobicContact CE2-CB 3.95Å; Y490-H499 AromaticContact CE2-CD2 3.17Å; Y490-H499 WeakPolarHBondContact CE2-CD2 3.49Å; Y490-H499 AromaticContact CE2-CG 3.64Å; Y490-H499 AromaticContact CE2-NE2 3.92Å; Y490-H499 AromaticContact CZ-CD2 3.48Å; Y490-H499 VanDerWaalsContact CZ-CD2 3.48Å; Y490-H499 AromaticContact CZ-CG 3.49Å; Y490-H499 VanDerWaalsContact CZ-CG 3.49Å; Y490-H499 PolarHBondContact OH-CD2 3.19Å; Y490-H499 VanDerWaalsContact OH-CD2 3.29Å; Y490-H499 VanDerWaalsContact OH-CG 3.22Å; Y490-H499 PolarHBondContact OH-ND1 2.87Å; Y490-H499 PolarHBondContact OH-NE2 3.08Å
491	I	68	Low	70	Confident	34 Å²	34	72 Å²	72	17%	0.174	38%	0.379	C	S	.	.	S	Bend	trans	-81.2	-22.5	-175.5	-57.2	-179.4	0	0	0	112.4	V470 R473 L474 K479 Y481	V470-I491 HydrophobicContact CG1-CG2 4.38Å; R473-I491 HydrophobicContact CB-CG2 3.49Å; R473-I491 VanDerWaalsContact CB-CG2 3.49Å; R473-I491 HydrophobicContact CG-CG2 4.42Å; R473-I491 PolarHBondContact NH1-O 3.17Å; L474-I491 HydrophobicContact CD2-CD1 3.42Å; L474-I491 VanDerWaalsContact CD2-CD1 3.42Å; L474-I491 HydrophobicContact CG-CD1 3.94Å; K479-I491 HydrophobicContact CG-CG1 3.8Å; Y481-I491 WeakPolarHBondContact CE2-O 3.46Å
492	S	74.8	Confident	69.3	Low	19 Å²	19	73.2 Å²	73.2	13%	0.133	39%	0.389	C	S	.	.	S	Bend	trans	-134.3	148	176.7	88.9	0	0	0	0	113	Y481 S494 S495 L496	Y481-S492 VanDerWaalsContact CD2-CA 3.48Å; S492-S494 PolarHBondContact O-N 3.32Å; S492-S495 WeakPolarHBondContact O-CB 3.44Å; S492-S495 PolarHBondContact O-N 2.67Å; S492-S495 VanDerWaalsContact O-N 3.1Å; S492-S495 WeakPolarHBondContact OG-CB 3.48Å; S492-S495 PolarHBondContact OG-N 3.02Å; S492-S495 PolarHBondContact OG-OG 3.17Å; S492-L496 PolarHBondContact O-N 3.24Å
493	R	69.8	Low	69	Low	188 Å²	188	69.6 Å²	69.6	71%	0.709	37%	0.374	S	S	*	.	H	α-helix	trans	-61.1	-30.5	175.1	-169.5	175	177.2	97.9	-6.1	112.2	Y481 L496 K497	Y481-R493 HydrophobicContact CD1-CB 4.01Å; Y481-R493 HydrophobicContact CD1-CG 4.45Å; Y481-R493 VanDerWaalsContact CD2-N 3.34Å; Y481-R493 HydrophobicContact CE1-CB 3.88Å; Y481-R493 HydrophobicContact CE1-CG 4.49Å; Y481-R493 HydrophobicContact CG-CB 4.39Å; R493-L496 PolarHBondContact O-N 3.13Å; R493-K497 WeakPolarHBondContact O-CB 3.47Å; R493-K497 PolarHBondContact O-N 3.37Å
494	S	69.8	Low	68.1	Low	84 Å²	84	75.5 Å²	75.5	59%	0.587	41%	0.406	S	S	*	.	H	α-helix	trans	-67	-42	173.6	-51	0	0	0	0	111.7	S492 K497 N498	S492-S494 PolarHBondContact O-N 3.32Å; S494-K497 PolarHBondContact O-N 3.19Å; S494-N498 WeakPolarHBondContact O-CB 3.42Å; S494-N498 PolarHBondContact O-N 3.07Å; S494-N498 PolarHBondContact O-OD1 2.99Å
495	S	71.1	Confident	67.1	Low	51 Å²	51	72 Å²	72	36%	0.357	40%	0.399	S	S	.	.	H	α-helix	trans	-62.8	-41.9	174	-54	0	0	0	0	111.5	S492 H499	S492-S495 WeakPolarHBondContact O-CB 3.44Å; S492-S495 PolarHBondContact O-N 2.67Å; S492-S495 VanDerWaalsContact O-N 3.1Å; S492-S495 WeakPolarHBondContact OG-CB 3.48Å; S492-S495 PolarHBondContact OG-N 3.02Å; S492-S495 PolarHBondContact OG-OG 3.17Å; S495-H499 WeakPolarHBondContact O-CB 3.49Å; S495-H499 PolarHBondContact O-N 3.32Å
496	L	73.1	Confident	66.3	Low	19 Å²	19	73 Å²	73	10%	0.099	40%	0.398	C	S	.	.	H	α-helix	trans	-63.7	-46.5	173.8	175.7	62.3	0	0	0	112	K482 C483 Y490 S492 R493 N498 H499 K500	K482-L496 WeakPolarHBondContact O-CD1 3.4Å; K482-L496 VanDerWaalsContact O-CD2 3.25Å; K482-L496 WeakPolarHBondContact O-CD2 3.35Å; C483-L496 HydrophobicContact CB-CD1 3.53Å; Y490-L496 HydrophobicContact CD2-CB 4.44Å; Y490-L496 HydrophobicContact CD2-CD1 4.1Å; S492-L496 PolarHBondContact O-N 3.24Å; R493-L496 PolarHBondContact O-N 3.13Å; L496-N498 VanDerWaalsContact C-N 3.31Å; L496-N498 PolarHBondContact O-N 2.96Å; L496-H499 CarbonylContact O-C 3.38Å; L496-H499 PolarHBondContact O-N 2.97Å; L496-H499 VanDerWaalsContact O-N 3.07Å; L496-K500 HydrophobicContact CD1-CG 4.13Å; L496-K500 HydrophobicContact CG-CG 4.47Å; L496-K500 PolarHBondContact O-N 2.86Å
497	K	68.3	Low	65.7	Low	165 Å²	165	76 Å²	76	72%	0.717	41%	0.405	S	S	*	.	H	α-helix	trans	-58.9	-44.7	178	-174.6	175.8	-179.8	178.1	0	111.3	R493 S494 H499 K500 G501	R493-K497 WeakPolarHBondContact O-CB 3.47Å; R493-K497 PolarHBondContact O-N 3.37Å; S494-K497 PolarHBondContact O-N 3.19Å; K497-H499 VanDerWaalsContact C-N 3.27Å; K497-H499 PolarHBondContact O-N 2.96Å; K497-K500 PolarHBondContact O-N 3.31Å; K497-G501 PolarHBondContact O-N 2.82Å
498	N	64.8	Low	65.5	Low	76 Å²	76	77.2 Å²	77.2	41%	0.406	40%	0.403	S	S	.	.	H	α-helix	trans	-61.9	-34.2	175.5	-72.3	5.4	0	0	0	112.6	S494 L496 Y520	S494-N498 WeakPolarHBondContact O-CB 3.42Å; S494-N498 PolarHBondContact O-N 3.07Å; S494-N498 PolarHBondContact O-OD1 2.99Å; L496-N498 VanDerWaalsContact C-N 3.31Å; L496-N498 PolarHBondContact O-N 2.96Å; N498-Y520 HydrophobicContact CB-CE1 3.85Å
499	H	68.9	Low	65.1	Low	16 Å²	16	75.9 Å²	75.9	7%	0.074	40%	0.395	C	S	.	.	H	α-helix	trans	-76.5	-37.6	176.1	175.8	49.5	0	0	0	113.3	C483 C486 Y490 S495 L496 K497 G501 I502 H503	C483-H499 PolarHBondContact SG-CD2 3.31Å; C486-H499 PolarHBondContact SG-NE2 2.85Å; Y490-H499 HydrophobicContact CE1-CB 4.23Å; Y490-H499 HydrophobicContact CE2-CB 3.95Å; Y490-H499 AromaticContact CE2-CD2 3.17Å; Y490-H499 WeakPolarHBondContact CE2-CD2 3.49Å; Y490-H499 AromaticContact CE2-CG 3.64Å; Y490-H499 AromaticContact CE2-NE2 3.92Å; Y490-H499 AromaticContact CZ-CD2 3.48Å; Y490-H499 VanDerWaalsContact CZ-CD2 3.48Å; Y490-H499 AromaticContact CZ-CG 3.49Å; Y490-H499 VanDerWaalsContact CZ-CG 3.49Å; Y490-H499 PolarHBondContact OH-CD2 3.19Å; Y490-H499 VanDerWaalsContact OH-CD2 3.29Å; Y490-H499 VanDerWaalsContact OH-CG 3.22Å; Y490-H499 PolarHBondContact OH-ND1 2.87Å; Y490-H499 PolarHBondContact OH-NE2 3.08Å; S495-H499 WeakPolarHBondContact O-CB 3.49Å; S495-H499 PolarHBondContact O-N 3.32Å; L496-H499 CarbonylContact O-C 3.38Å; L496-H499 PolarHBondContact O-N 2.97Å; L496-H499 VanDerWaalsContact O-N 3.07Å; K497-H499 VanDerWaalsContact C-N 3.27Å; K497-H499 PolarHBondContact O-N 2.96Å; H499-G501 PolarHBondContact O-N 3.48Å; H499-I502 VanDerWaalsContact O-CB 3.24Å; H499-I502 WeakPolarHBondContact O-CB 3.44Å; H499-I502 WeakPolarHBondContact O-CG1 3.36Å; H499-I502 PolarHBondContact O-N 3.27Å; H499-H503 AromaticContact CD2-NE2 3.75Å; H499-H503 AromaticContact CE1-CE1 3.57Å; H499-H503 AromaticContact CE1-NE2 3.21Å; H499-H503 PolarHBondContact CE1-NE2 3.32Å; H499-H503 AromaticContact NE2-CD2 3.98Å; H499-H503 AromaticContact NE2-CE1 3.68Å; H499-H503 AromaticContact NE2-NE2 2.96Å; H499-H503 PolarHBondContact NE2-NE2 3.29Å
500	K	65.6	Low	64.3	Low	72 Å²	72	81.7 Å²	81.7	31%	0.313	41%	0.414	S	S	.	.	H	α-helix	trans	-60.2	-33.6	175.1	-74.7	-167.1	173.1	-166.2	0	112.2	D484 L496 K497 I502 H503 L504	D484-K500 IonicContact OD1-NZ 3.48Å; D484-K500 WeakPolarHBondContact OD2-CE 3.43Å; D484-K500 IonicContact OD2-NZ 3.11Å; D484-K500 PolarHBondContact OD2-NZ 3.15Å; L496-K500 HydrophobicContact CD1-CG 4.13Å; L496-K500 HydrophobicContact CG-CG 4.47Å; L496-K500 PolarHBondContact O-N 2.86Å; K497-K500 PolarHBondContact O-N 3.31Å; K500-I502 PolarHBondContact O-N 3.29Å; K500-I502 VanDerWaalsContact O-N 3.11Å; K500-H503 PolarHBondContact O-N 2.81Å; K500-H503 VanDerWaalsContact O-N 3.1Å; K500-L504 PolarHBondContact O-N 2.81Å
501	G	64.3	Low	63.9	Low	22 Å²	22	79.4 Å²	79.4	23%	0.227	41%	0.406	C	S	.	.	H	α-helix	trans	-67.1	2.1	168.9	0	0	0	0	0	115.7	K497 H499	K497-G501 PolarHBondContact O-N 2.82Å; H499-G501 PolarHBondContact O-N 3.48Å
502	I	60.5	Low	63.6	Low	91 Å²	91	82.3 Å²	82.3	47%	0.467	43%	0.429	S	S	.	.	H	α-helix	trans	-91.3	-36.7	167.5	-54.6	-179.3	0	0	0	110.2	H499 K500 G505	H499-I502 VanDerWaalsContact O-CB 3.24Å; H499-I502 WeakPolarHBondContact O-CB 3.44Å; H499-I502 WeakPolarHBondContact O-CG1 3.36Å; H499-I502 PolarHBondContact O-N 3.27Å; K500-I502 PolarHBondContact O-N 3.29Å; K500-I502 VanDerWaalsContact O-N 3.11Å; I502-G505 PolarHBondContact O-N 2.83Å
503	H	60.6	Low	62.6	Low	73 Å²	73	88.5 Å²	88.5	34%	0.338	45%	0.451	S	S	.	.	H	α-helix	trans	-73.2	-35.7	-179.1	-61	-51.7	0	0	0	113	C483 V485 C486 H499 K500 G505	C483-H503 PolarHBondContact SG-NE2 3.3Å; C483-H503 VanDerWaalsContact SG-NE2 3.45Å; V485-H503 HydrophobicContact CB-CB 4.45Å; V485-H503 HydrophobicContact CG1-CB 3.97Å; C486-H503 PolarHBondContact SG-CE1 3.26Å; C486-H503 PolarHBondContact SG-NE2 2.88Å; H499-H503 AromaticContact CD2-NE2 3.75Å; H499-H503 AromaticContact CE1-CE1 3.57Å; H499-H503 AromaticContact CE1-NE2 3.21Å; H499-H503 PolarHBondContact CE1-NE2 3.32Å; H499-H503 AromaticContact NE2-CD2 3.98Å; H499-H503 AromaticContact NE2-CE1 3.68Å; H499-H503 AromaticContact NE2-NE2 2.96Å; H499-H503 PolarHBondContact NE2-NE2 3.29Å; K500-H503 PolarHBondContact O-N 2.81Å; K500-H503 VanDerWaalsContact O-N 3.1Å; H503-G505 PolarHBondContact O-N 2.8Å; H503-G505 VanDerWaalsContact O-N 3.16Å
504	L	58.1	Low	62.3	Low	125 Å²	125	81.3 Å²	81.3	65%	0.654	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-4.5	175.7	-73.9	160	0	0	0	113.6	K500 E506	K500-L504 PolarHBondContact O-N 2.81Å; L504-E506 HydrophobicContact CB-CB 4.5Å; L504-E506 HydrophobicContact CB-CG 4.27Å; L504-E506 PolarHBondContact O-N 2.68Å
505	G	52.1	Low	61.7	Low	54 Å²	54	86.5 Å²	86.5	56%	0.557	44%	0.444	S	S	*	.			trans	69	-22.5	-175.5	0	0	0	0	0	115.1	I502 H503 K507	I502-G505 PolarHBondContact O-N 2.83Å; H503-G505 PolarHBondContact O-N 2.8Å; H503-G505 VanDerWaalsContact O-N 3.16Å; G505-K507 PolarHBondContact O-N 3.02Å
506	E	51.9	Low	60.6	Low	123 Å²	123	90.4 Å²	90.4	58%	0.575	45%	0.454	S	S	*	.			trans	-51.9	118.9	179.4	-68.5	-169.8	158.6	0	0	112.5	L504 P508	L504-E506 HydrophobicContact CB-CB 4.5Å; L504-E506 HydrophobicContact CB-CG 4.27Å; L504-E506 PolarHBondContact O-N 2.68Å; E506-P508 HydrophobicContact CB-CG 4.39Å; E506-P508 WeakPolarHBondContact O-CD 3.36Å
507	K	56.2	Low	59.7	Low	109 Å²	109	91.2 Å²	91.2	47%	0.474	46%	0.462	S	S	.	.			trans	-117.7	79	166.1	-68.5	158.4	-177.5	165	0	106.7	G505 Y509 S517 F518	G505-K507 PolarHBondContact O-N 3.02Å; K507-Y509 PolarHBondContact O-N 3.19Å; K507-S517 VanDerWaalsContact CB-CB 3.48Å; K507-F518 CarbonylContact C-O 3.55Å; K507-F518 WeakPolarHBondContact CA-O 3.44Å
508	P	61.1	Low	59.6	Low	82 Å²	82	85.4 Å²	85.4	53%	0.532	44%	0.437	S	S	.	.			trans	-61.7	-25.7	-166.6	-23.1	34.4	0	0	0	112.7	E506 K510	E506-P508 HydrophobicContact CB-CG 4.39Å; E506-P508 WeakPolarHBondContact O-CD 3.36Å; P508-K510 PolarHBondContact O-N 3.03Å
509	Y	61.6	Low	59	Low	96 Å²	96	84.4 Å²	84.4	38%	0.376	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	73.1	-174.7	-51.3	-76.5	0	0	0	110	K507 F518 S521	K507-Y509 PolarHBondContact O-N 3.19Å; Y509-F518 WeakPolarHBondContact CB-O 3.27Å; Y509-F518 WeakPolarHBondContact CD2-O 3.32Å; Y509-F518 PolarHBondContact N-O 2.75Å; Y509-F518 PolarHBondContact O-N 3.17Å; Y509-S521 VanDerWaalsContact CD2-N 3.32Å
510	K	55.3	Low	58.9	Low	158 Å²	158	88 Å²	88	69%	0.687	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	144.1	171	-55.7	-164.5	178.2	177.4	0	110.6	P508 S517 L524	P508-K510 PolarHBondContact O-N 3.03Å; K510-S517 WeakPolarHBondContact CG-OG 3.22Å; K510-L524 WeakPolarHBondContact O-CD2 3.45Å
511	C	66.8	Low	58.5	Low	11 Å²	11	87.6 Å²	87.6	7%	0.074	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	129.4	174.7	-179.9	0	0	0	0	110.8	Y513 C514 K516 F518 L524	C511-Y513 VanDerWaalsContact C-N 3.28Å; C511-Y513 PolarHBondContact O-N 2.99Å; C511-C514 WeakPolarHBondContact CB-O 3.3Å; C511-C514 CarbonylContact O-C 3.56Å; C511-C514 PolarHBondContact O-N 3.4Å; C511-K516 VanDerWaalsContact CB-O 3.24Å; C511-K516 WeakPolarHBondContact CB-O 3.25Å; C511-K516 PolarHBondContact N-O 3.33Å; C511-F518 HydrophobicContact CB-CE2 4.47Å; C511-L524 HydrophobicContact CB-CD1 3.54Å
512	S	60.4	Low	58.3	Low	94 Å²	94	90.7 Å²	90.7	66%	0.657	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-35.1	176.8	48.3	0	0	0	0	113
513	Y	54.7	Low	58.6	Low	149 Å²	149	87.5 Å²	87.5	58%	0.584	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-3.3	-175.6	-57.9	-74.6	0	0	0	115.1	C511 H531	C511-Y513 VanDerWaalsContact C-N 3.28Å; C511-Y513 PolarHBondContact O-N 2.99Å; Y513-H531 HydrophobicContact CD2-CB 4.19Å; Y513-H531 HydrophobicContact CG-CB 4.09Å
514	C	63.6	Low	59	Low	37 Å²	37	84.8 Å²	84.8	25%	0.25	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	156.6	170.9	67.2	0	0	0	0	111.7	C511 K516 H527 H531	C511-C514 WeakPolarHBondContact CB-O 3.3Å; C511-C514 CarbonylContact O-C 3.56Å; C511-C514 PolarHBondContact O-N 3.4Å; C514-K516 PolarHBondContact O-N 3.22Å; C514-H527 PolarHBondContact SG-NE2 3.23Å; C514-H531 PolarHBondContact SG-NE2 3.5Å; C514-H531 VanDerWaalsContact SG-NE2 3.44Å
515	E	56.6	Low	59.2	Low	193 Å²	193	82.9 Å²	82.9	90%	0.902	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.8	-6.3	-178.3	-56	172.8	151.4	0	0	116.7	S517	E515-S517 PolarHBondContact O-N 3.22Å; E515-S517 VanDerWaalsContact O-N 3.08Å; E515-S517 PolarHBondContact O-OG 3.32Å
516	K	48.6	Very low	59.7	Low	133 Å²	133	84.6 Å²	84.6	58%	0.578	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	110.3	179.2	-70.3	170.3	-177.3	156.8	0	110.3	C511 C514 F518	C511-K516 VanDerWaalsContact CB-O 3.24Å; C511-K516 WeakPolarHBondContact CB-O 3.25Å; C511-K516 PolarHBondContact N-O 3.33Å; C514-K516 PolarHBondContact O-N 3.22Å; K516-F518 HydrophobicContact CB-CE2 3.8Å; K516-F518 HydrophobicContact CB-CZ 3.91Å; K516-F518 WeakPolarHBondContact O-CD2 3.14Å; K516-F518 WeakPolarHBondContact O-CE2 3.37Å
517	S	53.3	Low	60.6	Low	36 Å²	36	79.6 Å²	79.6	25%	0.252	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	141.6	177	-51.9	0	0	0	0	110.5	K507 K510 E515	K507-S517 VanDerWaalsContact CB-CB 3.48Å; K510-S517 WeakPolarHBondContact CG-OG 3.22Å; E515-S517 PolarHBondContact O-N 3.22Å; E515-S517 VanDerWaalsContact O-N 3.08Å; E515-S517 PolarHBondContact O-OG 3.32Å
518	F	66.9	Low	61.1	Low	43 Å²	43	77.1 Å²	77.1	19%	0.189	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	149.3	-172.2	-64.3	-88.3	0	0	0	112.9	K507 Y509 C511 K516 Y520 A523 L524 H527	K507-F518 CarbonylContact C-O 3.55Å; K507-F518 WeakPolarHBondContact CA-O 3.44Å; Y509-F518 WeakPolarHBondContact CB-O 3.27Å; Y509-F518 WeakPolarHBondContact CD2-O 3.32Å; Y509-F518 PolarHBondContact N-O 2.75Å; Y509-F518 PolarHBondContact O-N 3.17Å; C511-F518 HydrophobicContact CB-CE2 4.47Å; K516-F518 HydrophobicContact CB-CE2 3.8Å; K516-F518 HydrophobicContact CB-CZ 3.91Å; K516-F518 WeakPolarHBondContact O-CD2 3.14Å; K516-F518 WeakPolarHBondContact O-CE2 3.37Å; F518-Y520 PolarHBondContact O-N 3.34Å; F518-A523 HydrophobicContact CB-CB 4.37Å; F518-A523 HydrophobicContact CD1-CB 4.15Å; F518-L524 HydrophobicContact CB-CB 4.24Å; F518-L524 HydrophobicContact CD2-CB 4.13Å; F518-L524 HydrophobicContact CD2-CD1 4.06Å; F518-L524 HydrophobicContact CE2-CD1 4.47Å; F518-L524 HydrophobicContact CG-CB 4.4Å; F518-H527 HydrophobicContact CD2-CB 4.44Å; F518-H527 HydrophobicContact CE1-CB 4.19Å; F518-H527 HydrophobicContact CE2-CB 3.73Å; F518-H527 AromaticContact CE2-CD2 3.45Å; F518-H527 VanDerWaalsContact CE2-CD2 3.45Å; F518-H527 WeakPolarHBondContact CE2-CD2 3.46Å; F518-H527 AromaticContact CE2-CG 3.44Å; F518-H527 VanDerWaalsContact CE2-CG 3.44Å; F518-H527 HydrophobicContact CZ-CB 3.61Å; F518-H527 AromaticContact CZ-CD2 3.66Å; F518-H527 AromaticContact CZ-CE1 3.86Å; F518-H527 AromaticContact CZ-CG 3.24Å; F518-H527 AromaticContact CZ-ND1 3.39Å; F518-H527 WeakPolarHBondContact CZ-ND1 3.23Å
519	N	52.9	Low	61.6	Low	56 Å²	56	76.7 Å²	76.7	30%	0.299	38%	0.38	S	S	.	.	S	Bend	trans	-74.8	-12.1	176.7	-50.3	70.7	0	0	0	113
520	Y	65.6	Low	61.5	Low	91 Å²	91	76.1 Å²	76.1	36%	0.357	38%	0.382	S	S	.	.			trans	-140.5	138.6	-174.7	-43	-66.6	0	0	0	111.6	N498 F518 S522 A523 L524	N498-Y520 HydrophobicContact CB-CE1 3.85Å; F518-Y520 PolarHBondContact O-N 3.34Å; Y520-S522 VanDerWaalsContact C-N 3.33Å; Y520-S522 PolarHBondContact O-N 3.42Å; Y520-A523 HydrophobicContact CD2-CB 4.01Å; Y520-A523 HydrophobicContact CG-CB 4.5Å; Y520-A523 PolarHBondContact O-N 2.8Å; Y520-A523 VanDerWaalsContact O-N 3.17Å; Y520-L524 PolarHBondContact O-N 3.42Å
521	S	58.2	Low	61.7	Low	63 Å²	63	71.9 Å²	71.9	44%	0.441	37%	0.365	S	S	.	.	H	α-helix	trans	-57.7	-43.5	172.2	51.3	0	0	0	0	112.1	Y509 A523 L524 E525	Y509-S521 VanDerWaalsContact CD2-N 3.32Å; S521-A523 VanDerWaalsContact C-N 3.29Å; S521-A523 PolarHBondContact O-N 3.22Å; S521-L524 WeakPolarHBondContact O-CB 3.47Å; S521-L524 PolarHBondContact O-N 2.92Å; S521-E525 WeakPolarHBondContact O-CB 3.04Å; S521-E525 PolarHBondContact O-N 3.34Å
522	S	60	Low	61.3	Low	87 Å²	87	74.3 Å²	74.3	61%	0.608	38%	0.379	S	S	*	.	H	α-helix	trans	-64.9	-29.6	177.7	56.1	0	0	0	0	113.7	Y520 Q526	Y520-S522 VanDerWaalsContact C-N 3.33Å; Y520-S522 PolarHBondContact O-N 3.42Å; S522-Q526 VanDerWaalsContact O-CB 3.29Å; S522-Q526 WeakPolarHBondContact O-CB 3.47Å; S522-Q526 PolarHBondContact O-N 3.4Å
523	A	65.7	Low	61	Low	25 Å²	25	80.1 Å²	80.1	21%	0.207	39%	0.386	C	S	.	.	H	α-helix	trans	-77.1	-38.6	174.1	0	0	0	0	0	111.7	F518 Y520 S521 H527	F518-A523 HydrophobicContact CB-CB 4.37Å; F518-A523 HydrophobicContact CD1-CB 4.15Å; Y520-A523 HydrophobicContact CD2-CB 4.01Å; Y520-A523 HydrophobicContact CG-CB 4.5Å; Y520-A523 PolarHBondContact O-N 2.8Å; Y520-A523 VanDerWaalsContact O-N 3.17Å; S521-A523 VanDerWaalsContact C-N 3.29Å; S521-A523 PolarHBondContact O-N 3.22Å; A523-H527 VanDerWaalsContact O-CB 3.25Å; A523-H527 WeakPolarHBondContact O-CB 3.49Å; A523-H527 PolarHBondContact O-N 3.06Å
524	L	69.2	Low	61.1	Low	16 Å²	16	77.9 Å²	77.9	8%	0.084	38%	0.381	C	S	.	.	H	α-helix	trans	-59.9	-46.5	168.4	169.5	61.9	0	0	0	111	K510 C511 F518 Y520 S521 Q526 H527 K528	K510-L524 WeakPolarHBondContact O-CD2 3.45Å; C511-L524 HydrophobicContact CB-CD1 3.54Å; F518-L524 HydrophobicContact CB-CB 4.24Å; F518-L524 HydrophobicContact CD2-CB 4.13Å; F518-L524 HydrophobicContact CD2-CD1 4.06Å; F518-L524 HydrophobicContact CE2-CD1 4.47Å; F518-L524 HydrophobicContact CG-CB 4.4Å; Y520-L524 PolarHBondContact O-N 3.42Å; S521-L524 WeakPolarHBondContact O-CB 3.47Å; S521-L524 PolarHBondContact O-N 2.92Å; L524-Q526 PolarHBondContact O-N 3.07Å; L524-H527 CarbonylContact O-C 3.53Å; L524-H527 VanDerWaalsContact O-CA 3.27Å; L524-H527 WeakPolarHBondContact O-CA 3.24Å; L524-H527 VanDerWaalsContact O-CB 3.3Å; L524-H527 WeakPolarHBondContact O-CB 3.44Å; L524-H527 PolarHBondContact O-N 2.8Å; L524-K528 HydrophobicContact CD1-CG 4.2Å; L524-K528 HydrophobicContact CG-CG 4.5Å; L524-K528 PolarHBondContact O-N 3.03Å
525	E	63.6	Low	60.9	Low	85 Å²	85	82.4 Å²	82.4	40%	0.397	40%	0.397	S	S	.	.	H	α-helix	trans	-69.2	-37.3	-176.4	-146.1	59.9	-149.7	0	0	111.8	S521 H527 K528	S521-E525 WeakPolarHBondContact O-CB 3.04Å; S521-E525 PolarHBondContact O-N 3.34Å; E525-H527 PolarHBondContact O-N 3.42Å; E525-K528 VanDerWaalsContact CD-NZ 3.31Å; E525-K528 PolarHBondContact O-N 3.07Å; E525-K528 WeakPolarHBondContact OE1-CD 3.13Å; E525-K528 IonicContact OE1-NZ 3.97Å; E525-K528 PolarHBondContact OE1-NZ 2.74Å; E525-K528 VanDerWaalsContact OE1-NZ 3.11Å; E525-K528 VanDerWaalsContact OE2-CE 3.31Å; E525-K528 WeakPolarHBondContact OE2-CE 3.45Å; E525-K528 IonicContact OE2-NZ 2.63Å; E525-K528 PolarHBondContact OE2-NZ 2.91Å
526	Q	61.7	Low	61.3	Low	90 Å²	90	76.7 Å²	76.7	42%	0.421	38%	0.376	S	S	.	.	H	α-helix	trans	-62.7	-28.4	166.8	-179.8	173.4	80.2	0	0	112.2	S522 L524 R547 N548	S522-Q526 VanDerWaalsContact O-CB 3.29Å; S522-Q526 WeakPolarHBondContact O-CB 3.47Å; S522-Q526 PolarHBondContact O-N 3.4Å; L524-Q526 PolarHBondContact O-N 3.07Å; Q526-R547 VanDerWaalsContact O-CZ 3.28Å; Q526-R547 PolarHBondContact O-NE 3.09Å; Q526-R547 VanDerWaalsContact O-NE 3.08Å; Q526-R547 PolarHBondContact O-NH2 3.27Å; Q526-N548 VanDerWaalsContact NE2-CG 3.28Å; Q526-N548 PolarHBondContact NE2-ND2 2.92Å; Q526-N548 PolarHBondContact NE2-OD1 3.04Å
527	H	70.6	Confident	62.1	Low	17 Å²	17	73 Å²	73	8%	0.079	36%	0.361	C	S	.	.	H	α-helix	trans	-82.5	-34.2	177.4	-176.4	81.4	0	0	0	113.9	C514 F518 A523 L524 E525 R529 I530 H531	C514-H527 PolarHBondContact SG-NE2 3.23Å; F518-H527 HydrophobicContact CD2-CB 4.44Å; F518-H527 HydrophobicContact CE1-CB 4.19Å; F518-H527 HydrophobicContact CE2-CB 3.73Å; F518-H527 AromaticContact CE2-CD2 3.45Å; F518-H527 VanDerWaalsContact CE2-CD2 3.45Å; F518-H527 WeakPolarHBondContact CE2-CD2 3.46Å; F518-H527 AromaticContact CE2-CG 3.44Å; F518-H527 VanDerWaalsContact CE2-CG 3.44Å; F518-H527 HydrophobicContact CZ-CB 3.61Å; F518-H527 AromaticContact CZ-CD2 3.66Å; F518-H527 AromaticContact CZ-CE1 3.86Å; F518-H527 AromaticContact CZ-CG 3.24Å; F518-H527 AromaticContact CZ-ND1 3.39Å; F518-H527 WeakPolarHBondContact CZ-ND1 3.23Å; A523-H527 VanDerWaalsContact O-CB 3.25Å; A523-H527 WeakPolarHBondContact O-CB 3.49Å; A523-H527 PolarHBondContact O-N 3.06Å; L524-H527 CarbonylContact O-C 3.53Å; L524-H527 VanDerWaalsContact O-CA 3.27Å; L524-H527 WeakPolarHBondContact O-CA 3.24Å; L524-H527 VanDerWaalsContact O-CB 3.3Å; L524-H527 WeakPolarHBondContact O-CB 3.44Å; L524-H527 PolarHBondContact O-N 2.8Å; E525-H527 PolarHBondContact O-N 3.42Å; H527-R529 PolarHBondContact O-N 3.49Å; H527-R529 VanDerWaalsContact O-N 3.16Å; H527-I530 WeakPolarHBondContact O-CB 3.25Å; H527-I530 WeakPolarHBondContact O-CG1 3.02Å; H527-I530 PolarHBondContact O-N 3.16Å; H527-H531 AromaticContact CD2-NE2 3.64Å; H527-H531 AromaticContact NE2-CE1 3.98Å; H527-H531 AromaticContact NE2-NE2 3.17Å; H527-H531 PolarHBondContact NE2-NE2 2.6Å; H527-H531 VanDerWaalsContact NE2-NE2 3.17Å
528	K	67.3	Low	62.3	Low	58 Å²	58	72.9 Å²	72.9	25%	0.252	37%	0.365	S	S	.	.	H	α-helix	trans	-54.9	-35	172.4	-71.5	-177.9	-169.1	159	0	111.5	L524 E525 I530 H531 T532	L524-K528 HydrophobicContact CD1-CG 4.2Å; L524-K528 HydrophobicContact CG-CG 4.5Å; L524-K528 PolarHBondContact O-N 3.03Å; E525-K528 VanDerWaalsContact CD-NZ 3.31Å; E525-K528 PolarHBondContact O-N 3.07Å; E525-K528 WeakPolarHBondContact OE1-CD 3.13Å; E525-K528 IonicContact OE1-NZ 3.97Å; E525-K528 PolarHBondContact OE1-NZ 2.74Å; E525-K528 VanDerWaalsContact OE1-NZ 3.11Å; E525-K528 VanDerWaalsContact OE2-CE 3.31Å; E525-K528 WeakPolarHBondContact OE2-CE 3.45Å; E525-K528 IonicContact OE2-NZ 2.63Å; E525-K528 PolarHBondContact OE2-NZ 2.91Å; K528-I530 PolarHBondContact O-N 2.79Å; K528-H531 WeakPolarHBondContact O-CA 3.3Å; K528-H531 WeakPolarHBondContact O-CB 3.48Å; K528-H531 PolarHBondContact O-N 3.05Å; K528-T532 PolarHBondContact O-N 3.26Å; K528-T532 VanDerWaalsContact O-N 3.1Å; K528-T532 PolarHBondContact O-OG1 3.02Å
529	R	70.3	Confident	62.4	Low	73 Å²	73	70.9 Å²	70.9	28%	0.275	36%	0.356	S	S	.	.	H	α-helix	trans	-63.9	-2.1	171.8	-57.2	173.8	-167.2	-163.1	-4.5	115.5	H527 T532 R547	H527-R529 PolarHBondContact O-N 3.49Å; H527-R529 VanDerWaalsContact O-N 3.16Å; R529-T532 WeakPolarHBondContact CA-OG1 3.48Å; R529-R547 HydrophobicContact CB-CG 3.79Å; R529-R547 WeakPolarHBondContact O-CD 3.44Å; R529-R547 PolarHBondContact O-NE 2.88Å
530	I	61.2	Low	62.9	Low	84 Å²	84	74.6 Å²	74.6	43%	0.431	38%	0.376	S	S	.	.	H	α-helix	trans	-71.9	-46.8	161.3	-35.7	-118.8	0	0	0	108.7	H527 K528 R547	H527-I530 WeakPolarHBondContact O-CB 3.25Å; H527-I530 WeakPolarHBondContact O-CG1 3.02Å; H527-I530 PolarHBondContact O-N 3.16Å; K528-I530 PolarHBondContact O-N 2.79Å; I530-R547 VanDerWaalsContact CG1-NH2 3.34Å
531	H	59.5	Low	62.7	Low	69 Å²	69	75 Å²	75	32%	0.319	38%	0.381	S	S	.	.	H	α-helix	trans	-81.3	-45.4	-166.4	-52.8	-63.2	0	0	0	111.2	Y513 C514 H527 K528 R533	Y513-H531 HydrophobicContact CD2-CB 4.19Å; Y513-H531 HydrophobicContact CG-CB 4.09Å; C514-H531 PolarHBondContact SG-NE2 3.5Å; C514-H531 VanDerWaalsContact SG-NE2 3.44Å; H527-H531 AromaticContact CD2-NE2 3.64Å; H527-H531 AromaticContact NE2-CE1 3.98Å; H527-H531 AromaticContact NE2-NE2 3.17Å; H527-H531 PolarHBondContact NE2-NE2 2.6Å; H527-H531 VanDerWaalsContact NE2-NE2 3.17Å; K528-H531 WeakPolarHBondContact O-CA 3.3Å; K528-H531 WeakPolarHBondContact O-CB 3.48Å; K528-H531 PolarHBondContact O-N 3.05Å; H531-R533 PolarHBondContact O-N 2.66Å
532	T	57.2	Low	62.9	Low	61 Å²	61	74.1 Å²	74.1	37%	0.374	37%	0.374	S	S	.	.	S	Bend	trans	-69.9	-8.2	174.3	61.1	0	0	0	0	113.6	K528 R529 E534	K528-T532 PolarHBondContact O-N 3.26Å; K528-T532 VanDerWaalsContact O-N 3.1Å; K528-T532 PolarHBondContact O-OG1 3.02Å; R529-T532 WeakPolarHBondContact CA-OG1 3.48Å; T532-E534 WeakPolarHBondContact CB-OE2 3.22Å; T532-E534 PolarHBondContact O-N 2.78Å; T532-E534 VanDerWaalsContact OG1-CD 3.25Å; T532-E534 WeakPolarHBondContact OG1-CG 3.31Å; T532-E534 PolarHBondContact OG1-OE2 2.88Å
533	R	54.6	Low	63	Low	216 Å²	216	73.1 Å²	73.1	82%	0.815	38%	0.378	S	S	*	.			trans	55	2.7	-172.3	-65	-174.5	174.8	-170.6	1.6	116.3	H531	H531-R533 PolarHBondContact O-N 2.66Å
534	E	56.5	Low	62.8	Low	102 Å²	102	77.3 Å²	77.3	48%	0.477	39%	0.391	S	S	.	.			trans	-55.3	137.7	-175.7	-67.4	163.2	133	0	0	113	T532 P536	T532-E534 WeakPolarHBondContact CB-OE2 3.22Å; T532-E534 PolarHBondContact O-N 2.78Å; T532-E534 VanDerWaalsContact OG1-CD 3.25Å; T532-E534 WeakPolarHBondContact OG1-CG 3.31Å; T532-E534 PolarHBondContact OG1-OE2 2.88Å; E534-P536 HydrophobicContact CB-CG 4.31Å
535	K	59.7	Low	62.6	Low	132 Å²	132	78.4 Å²	78.4	57%	0.574	40%	0.402	S	S	*	.			trans	-126.8	72.4	176.7	-68.9	161.2	166.1	-174.1	0	110.2	F537 A545 F546	K535-F537 PolarHBondContact O-N 2.86Å; K535-A545 HydrophobicContact CB-CB 3.59Å; K535-A545 HydrophobicContact CD-CB 4.04Å; K535-A545 WeakPolarHBondContact CD-O 3.38Å; K535-A545 HydrophobicContact CG-CB 4.44Å; K535-F546 CarbonylContact C-O 3.11Å; K535-F546 WeakPolarHBondContact CA-O 3.49Å
536	P	65.8	Low	62.9	Low	73 Å²	73	77.1 Å²	77.1	47%	0.474	40%	0.396	S	S	.	.			trans	-71.1	2	-168	-20	35.1	0	0	0	115.6	E534	E534-P536 HydrophobicContact CB-CG 4.31Å
537	F	64.8	Low	62.7	Low	57 Å²	57	76.3 Å²	76.3	25%	0.25	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-118.9	81.3	-176.9	-55.9	-73.9	0	0	0	109.2	K535 F546 R547 N548 N549 L552	K535-F537 PolarHBondContact O-N 2.86Å; F537-F546 HydrophobicContact CB-CB 4.38Å; F537-F546 WeakPolarHBondContact CB-O 3.46Å; F537-F546 PolarHBondContact N-O 2.74Å; F537-F546 PolarHBondContact O-N 3.05Å; F537-R547 WeakPolarHBondContact CE2-O 3.4Å; F537-N548 VanDerWaalsContact CD2-C 3.48Å; F537-N549 HydrophobicContact CD1-CB 3.88Å; F537-N549 HydrophobicContact CD2-CB 4.44Å; F537-N549 VanDerWaalsContact CD2-N 3.3Å; F537-N549 HydrophobicContact CE1-CB 3.76Å; F537-N549 HydrophobicContact CE2-CB 4.32Å; F537-N549 HydrophobicContact CG-CB 4.22Å; F537-N549 HydrophobicContact CZ-CB 3.98Å; F537-L552 HydrophobicContact CB-CB 4.14Å; F537-L552 HydrophobicContact CB-CD2 3.91Å
538	G	58.1	Low	62.7	Low	33 Å²	33	78.2 Å²	78.2	34%	0.34	40%	0.4	S	S	.	.			trans	-60.6	154.2	172.1	0	0	0	0	0	112.3	L552	G538-L552 WeakPolarHBondContact O-CD1 3.43Å; G538-L552 WeakPolarHBondContact O-CD2 3.45Å
539	C	67.7	Low	62.6	Low	1 Å²	1	79 Å²	79	1%	0.007	41%	0.407	C	S	.	.			trans	-109.3	107.2	166.9	-164.8	0	0	0	0	108.3	E541 C542 G543 K544 F546 L552 H555	C539-E541 PolarHBondContact O-N 3.34Å; C539-C542 PolarHBondContact O-N 3.05Å; C539-C542 VanDerWaalsContact O-N 3.07Å; C539-G543 WeakPolarHBondContact O-CA 3.45Å; C539-G543 PolarHBondContact O-N 2.99Å; C539-K544 HydrophobicContact CB-CB 4.44Å; C539-K544 VanDerWaalsContact CB-O 3.26Å; C539-K544 WeakPolarHBondContact CB-O 3.48Å; C539-K544 PolarHBondContact N-O 3.33Å; C539-K544 VanDerWaalsContact N-O 3.08Å; C539-F546 HydrophobicContact CB-CE2 4.44Å; C539-L552 HydrophobicContact CB-CD1 3.53Å; C539-H555 PolarHBondContact SG-CD2 3.03Å
540	D	64.1	Low	62.5	Low	133 Å²	133	80.1 Å²	80.1	71%	0.711	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-34.7	-167.5	-33.2	-74.8	0	0	0	111.2	C542 K556	D540-C542 VanDerWaalsContact C-N 3.32Å; D540-C542 PolarHBondContact O-N 3.37Å; D540-K556 VanDerWaalsContact OD2-CE 3.24Å; D540-K556 WeakPolarHBondContact OD2-CE 3.37Å; D540-K556 IonicContact OD2-NZ 2.67Å; D540-K556 PolarHBondContact OD2-NZ 3.41Å
541	E	60.7	Low	62.8	Low	100 Å²	100	77.5 Å²	77.5	47%	0.467	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-10.8	178.7	-60.2	127	135.2	0	0	115	C539 K556 H559	C539-E541 PolarHBondContact O-N 3.34Å; E541-K556 IonicContact OE1-NZ 2.83Å; E541-K556 IonicContact OE2-NZ 2.69Å; E541-K556 PolarHBondContact OE2-NZ 2.83Å; E541-H559 IonicContact OE2-CD2 2.63Å
542	C	63.3	Low	63.5	Low	44 Å²	44	75.1 Å²	75.1	30%	0.297	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.7	15.8	-178.9	75.4	0	0	0	0	117.1	C539 D540 K544 H555 H559	C539-C542 PolarHBondContact O-N 3.05Å; C539-C542 VanDerWaalsContact O-N 3.07Å; D540-C542 VanDerWaalsContact C-N 3.32Å; D540-C542 PolarHBondContact O-N 3.37Å; C542-K544 PolarHBondContact O-N 3.13Å; C542-H555 PolarHBondContact SG-NE2 3.16Å; C542-H559 WeakPolarHBondContact CB-NE2 3.48Å; C542-H559 PolarHBondContact SG-NE2 3.17Å
543	G	62.1	Low	63.9	Low	66 Å²	66	79 Å²	79	68%	0.68	42%	0.42	S	S	*	.			trans	66.4	-4.6	178.8	0	0	0	0	0	116.4	C539 A545	C539-G543 WeakPolarHBondContact O-CA 3.45Å; C539-G543 PolarHBondContact O-N 2.99Å; G543-A545 PolarHBondContact O-N 3.12Å
544	K	61.6	Low	64.5	Low	114 Å²	114	71.6 Å²	71.6	50%	0.496	40%	0.399	S	S	.	.			trans	-71.5	106.3	-174.9	-73.2	173.8	-172.7	132.5	0	111	C539 C542 F546	C539-K544 HydrophobicContact CB-CB 4.44Å; C539-K544 VanDerWaalsContact CB-O 3.26Å; C539-K544 WeakPolarHBondContact CB-O 3.48Å; C539-K544 PolarHBondContact N-O 3.33Å; C539-K544 VanDerWaalsContact N-O 3.08Å; C542-K544 PolarHBondContact O-N 3.13Å; K544-F546 HydrophobicContact CB-CE2 3.85Å; K544-F546 HydrophobicContact CB-CZ 4.31Å; K544-F546 WeakPolarHBondContact O-CD2 3.34Å; K544-F546 WeakPolarHBondContact O-CE2 3.41Å
545	A	65	Low	65.2	Low	38 Å²	38	67.5 Å²	67.5	31%	0.314	38%	0.38	S	S	.	.			trans	-87.8	133.1	-179.3	0	0	0	0	0	113.3	K535 G543	K535-A545 HydrophobicContact CB-CB 3.59Å; K535-A545 HydrophobicContact CD-CB 4.04Å; K535-A545 WeakPolarHBondContact CD-O 3.38Å; K535-A545 HydrophobicContact CG-CB 4.44Å; G543-A545 PolarHBondContact O-N 3.12Å
546	F	69.6	Low	65.6	Low	58 Å²	58	63.9 Å²	63.9	25%	0.254	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-114.5	149.8	-178.6	-64.5	-95.5	0	0	0	111.7	K535 F537 C539 K544 L552 H555	K535-F546 CarbonylContact C-O 3.11Å; K535-F546 WeakPolarHBondContact CA-O 3.49Å; F537-F546 HydrophobicContact CB-CB 4.38Å; F537-F546 WeakPolarHBondContact CB-O 3.46Å; F537-F546 PolarHBondContact N-O 2.74Å; F537-F546 PolarHBondContact O-N 3.05Å; C539-F546 HydrophobicContact CB-CE2 4.44Å; K544-F546 HydrophobicContact CB-CE2 3.85Å; K544-F546 HydrophobicContact CB-CZ 4.31Å; K544-F546 WeakPolarHBondContact O-CD2 3.34Å; K544-F546 WeakPolarHBondContact O-CE2 3.41Å; F546-L552 HydrophobicContact CB-CB 4.35Å; F546-L552 HydrophobicContact CD2-CB 4.23Å; F546-L552 HydrophobicContact CD2-CD1 4.1Å; F546-L552 HydrophobicContact CE2-CD1 4.48Å; F546-L552 HydrophobicContact CG-CB 4.42Å; F546-H555 HydrophobicContact CE1-CB 4.13Å; F546-H555 HydrophobicContact CE2-CB 3.79Å; F546-H555 AromaticContact CE2-CD2 3.19Å; F546-H555 WeakPolarHBondContact CE2-CD2 3.3Å; F546-H555 AromaticContact CE2-CG 3.58Å; F546-H555 HydrophobicContact CZ-CB 3.51Å; F546-H555 AromaticContact CZ-CD2 3.4Å; F546-H555 VanDerWaalsContact CZ-CD2 3.4Å; F546-H555 WeakPolarHBondContact CZ-CD2 3.35Å; F546-H555 AromaticContact CZ-CG 3.34Å
547	R	57.6	Low	66	Low	74 Å²	74	63.3 Å²	63.3	28%	0.279	35%	0.352	S	S	.	.	S	Bend	trans	-80.8	-21.5	177.5	176.5	168.9	150.4	-154.6	-15	114.2	Q526 R529 I530 F537	Q526-R547 VanDerWaalsContact O-CZ 3.28Å; Q526-R547 PolarHBondContact O-NE 3.09Å; Q526-R547 VanDerWaalsContact O-NE 3.08Å; Q526-R547 PolarHBondContact O-NH2 3.27Å; R529-R547 HydrophobicContact CB-CG 3.79Å; R529-R547 WeakPolarHBondContact O-CD 3.44Å; R529-R547 PolarHBondContact O-NE 2.88Å; I530-R547 VanDerWaalsContact CG1-NH2 3.34Å; F537-R547 WeakPolarHBondContact CE2-O 3.4Å
548	N	69.3	Low	66	Low	57 Å²	57	65.3 Å²	65.3	31%	0.305	37%	0.365	S	S	.	.	S	Bend	trans	-130.3	132.8	-177.9	-70	-17.4	0	0	0	110.5	Q526 F537 S550 G551 L552	Q526-N548 VanDerWaalsContact NE2-CG 3.28Å; Q526-N548 PolarHBondContact NE2-ND2 2.92Å; Q526-N548 PolarHBondContact NE2-OD1 3.04Å; F537-N548 VanDerWaalsContact CD2-C 3.48Å; N548-S550 VanDerWaalsContact C-N 3.26Å; N548-S550 PolarHBondContact O-N 3.02Å; N548-G551 WeakPolarHBondContact O-CA 3.3Å; N548-G551 PolarHBondContact O-N 3.41Å; N548-L552 PolarHBondContact O-N 2.8Å
549	N	65.8	Low	66.3	Low	75 Å²	75	67.8 Å²	67.8	40%	0.401	37%	0.367	S	S	.	.	H	α-helix	trans	-54.2	-39.7	175.6	-169.2	-20.3	0	0	0	112.3	F537 G551 L552 K553	F537-N549 HydrophobicContact CD1-CB 3.88Å; F537-N549 HydrophobicContact CD2-CB 4.44Å; F537-N549 VanDerWaalsContact CD2-N 3.3Å; F537-N549 HydrophobicContact CE1-CB 3.76Å; F537-N549 HydrophobicContact CE2-CB 4.32Å; F537-N549 HydrophobicContact CG-CB 4.22Å; F537-N549 HydrophobicContact CZ-CB 3.98Å; N549-G551 PolarHBondContact O-N 3.48Å; N549-L552 WeakPolarHBondContact O-CB 3.43Å; N549-L552 PolarHBondContact O-N 3.01Å; N549-L552 VanDerWaalsContact O-N 3.07Å; N549-K553 PolarHBondContact O-N 3.28Å
550	S	68.1	Low	66	Low	95 Å²	95	71.5 Å²	71.5	66%	0.664	39%	0.39	S	S	*	.	H	α-helix	trans	-60.6	-27.6	175.5	-40.9	0	0	0	0	113.8	N548 V554	N548-S550 VanDerWaalsContact C-N 3.26Å; N548-S550 PolarHBondContact O-N 3.02Å; S550-V554 WeakPolarHBondContact O-CG2 3.17Å; S550-V554 PolarHBondContact O-N 2.86Å
551	G	68	Low	65.9	Low	29 Å²	29	67.4 Å²	67.4	30%	0.299	38%	0.379	S	S	.	.	H	α-helix	trans	-73.5	-45.1	172.8	0	0	0	0	0	111.6	N548 N549 K553 V554 H555	N548-G551 WeakPolarHBondContact O-CA 3.3Å; N548-G551 PolarHBondContact O-N 3.41Å; N549-G551 PolarHBondContact O-N 3.48Å; G551-K553 PolarHBondContact O-N 3.13Å; G551-V554 PolarHBondContact O-N 3.31Å; G551-H555 WeakPolarHBondContact O-CB 3.3Å; G551-H555 PolarHBondContact O-N 3.28Å
552	L	73.1	Confident	66	Low	19 Å²	19	67 Å²	67	10%	0.099	38%	0.377	C	S	.	.	H	α-helix	trans	-59	-44.3	173.6	176	62.8	0	0	0	111.9	F537 G538 C539 F546 N548 N549 V554 H555 K556	F537-L552 HydrophobicContact CB-CB 4.14Å; F537-L552 HydrophobicContact CB-CD2 3.91Å; G538-L552 WeakPolarHBondContact O-CD1 3.43Å; G538-L552 WeakPolarHBondContact O-CD2 3.45Å; C539-L552 HydrophobicContact CB-CD1 3.53Å; F546-L552 HydrophobicContact CB-CB 4.35Å; F546-L552 HydrophobicContact CD2-CB 4.23Å; F546-L552 HydrophobicContact CD2-CD1 4.1Å; F546-L552 HydrophobicContact CE2-CD1 4.48Å; F546-L552 HydrophobicContact CG-CB 4.42Å; N548-L552 PolarHBondContact O-N 2.8Å; N549-L552 WeakPolarHBondContact O-CB 3.43Å; N549-L552 PolarHBondContact O-N 3.01Å; N549-L552 VanDerWaalsContact O-N 3.07Å; L552-V554 VanDerWaalsContact C-N 3.35Å; L552-V554 PolarHBondContact O-N 2.82Å; L552-H555 CarbonylContact O-C 3.54Å; L552-H555 WeakPolarHBondContact O-CA 3.39Å; L552-H555 WeakPolarHBondContact O-CB 3.22Å; L552-H555 PolarHBondContact O-N 3.3Å; L552-K556 HydrophobicContact CD1-CG 4.1Å; L552-K556 PolarHBondContact O-N 3.37Å
553	K	66.1	Low	66.3	Low	143 Å²	143	72 Å²	72	62%	0.622	39%	0.39	S	S	*	.	H	α-helix	trans	-64	-35.1	178.7	-71.2	-159.2	174.1	-151.5	0	113.8	N549 G551 H555	N549-K553 PolarHBondContact O-N 3.28Å; G551-K553 PolarHBondContact O-N 3.13Å; K553-H555 VanDerWaalsContact C-N 3.3Å
554	V	67.1	Low	66.8	Low	60 Å²	60	72.1 Å²	72.1	36%	0.364	38%	0.379	S	S	.	.	H	α-helix	trans	-73.9	-26.2	172.1	174.2	0	0	0	0	111.1	S550 G551 L552 I575	S550-V554 WeakPolarHBondContact O-CG2 3.17Å; S550-V554 PolarHBondContact O-N 2.86Å; G551-V554 PolarHBondContact O-N 3.31Å; L552-V554 VanDerWaalsContact C-N 3.35Å; L552-V554 PolarHBondContact O-N 2.82Å; V554-I575 HydrophobicContact CG1-CG2 4.47Å; V554-I575 WeakPolarHBondContact O-CG2 3.2Å
555	H	72.6	Confident	67.2	Low	16 Å²	16	70.2 Å²	70.2	7%	0.074	37%	0.369	C	S	.	.	H	α-helix	trans	-77.8	-43.2	177.3	-176.9	45.8	0	0	0	114.1	C539 C542 F546 G551 L552 K553 R557 I558	C539-H555 PolarHBondContact SG-CD2 3.03Å; C542-H555 PolarHBondContact SG-NE2 3.16Å; F546-H555 HydrophobicContact CE1-CB 4.13Å; F546-H555 HydrophobicContact CE2-CB 3.79Å; F546-H555 AromaticContact CE2-CD2 3.19Å; F546-H555 WeakPolarHBondContact CE2-CD2 3.3Å; F546-H555 AromaticContact CE2-CG 3.58Å; F546-H555 HydrophobicContact CZ-CB 3.51Å; F546-H555 AromaticContact CZ-CD2 3.4Å; F546-H555 VanDerWaalsContact CZ-CD2 3.4Å; F546-H555 WeakPolarHBondContact CZ-CD2 3.35Å; F546-H555 AromaticContact CZ-CG 3.34Å; G551-H555 WeakPolarHBondContact O-CB 3.3Å; G551-H555 PolarHBondContact O-N 3.28Å; L552-H555 CarbonylContact O-C 3.54Å; L552-H555 WeakPolarHBondContact O-CA 3.39Å; L552-H555 WeakPolarHBondContact O-CB 3.22Å; L552-H555 PolarHBondContact O-N 3.3Å; K553-H555 VanDerWaalsContact C-N 3.3Å; H555-R557 PolarHBondContact O-N 2.92Å; H555-I558 VanDerWaalsContact O-CB 3.22Å; H555-I558 WeakPolarHBondContact O-CB 3.46Å; H555-I558 WeakPolarHBondContact O-CG1 3.38Å; H555-I558 PolarHBondContact O-N 2.79Å
556	K	68.2	Low	67	Low	56 Å²	56	74.7 Å²	74.7	24%	0.243	38%	0.381	C	S	.	.	H	α-helix	trans	-58.7	-29.5	177.9	-79.3	-170.4	171.3	-95.2	0	112.8	D540 E541 L552 I558 H559 T560	D540-K556 VanDerWaalsContact OD2-CE 3.24Å; D540-K556 WeakPolarHBondContact OD2-CE 3.37Å; D540-K556 IonicContact OD2-NZ 2.67Å; D540-K556 PolarHBondContact OD2-NZ 3.41Å; E541-K556 IonicContact OE1-NZ 2.83Å; E541-K556 IonicContact OE2-NZ 2.69Å; E541-K556 PolarHBondContact OE2-NZ 2.83Å; L552-K556 HydrophobicContact CD1-CG 4.1Å; L552-K556 PolarHBondContact O-N 3.37Å; K556-I558 PolarHBondContact O-N 3.37Å; K556-I558 VanDerWaalsContact O-N 3.16Å; K556-H559 WeakPolarHBondContact O-CA 3.27Å; K556-H559 WeakPolarHBondContact O-CB 3.38Å; K556-H559 PolarHBondContact O-N 2.93Å; K556-T560 PolarHBondContact O-N 2.97Å
557	R	73.9	Confident	66.9	Low	61 Å²	61	72 Å²	72	23%	0.23	37%	0.37	C	S	.	.	H	α-helix	trans	-64.7	-10.9	170.6	-67.2	-175.4	168.8	156.6	1.8	115.7	H555 G561 E562 I575	H555-R557 PolarHBondContact O-N 2.92Å; R557-G561 CarbonylContact O-C 3.56Å; R557-G561 PolarHBondContact O-N 2.88Å; R557-E562 HydrophobicContact CB-CB 4Å; R557-E562 HydrophobicContact CG-CB 3.83Å; R557-E562 WeakPolarHBondContact CG-OE2 3.44Å; R557-E562 IonicContact CZ-OE2 3.54Å; R557-E562 IonicContact NE-OE2 2.62Å; R557-E562 PolarHBondContact NE-OE2 3.33Å; R557-E562 IonicContact NH2-OE2 2.58Å; R557-E562 PolarHBondContact O-N 3.16Å; R557-I575 HydrophobicContact CB-CG2 3.52Å; R557-I575 PolarHBondContact NH1-O 3.27Å
558	I	63.5	Low	67.3	Low	99 Å²	99	76 Å²	76	51%	0.508	39%	0.392	S	S	.	.	H	α-helix	trans	-76	-32.8	168.2	-54.6	-175.6	0	0	0	109.9	H555 K556 I575	H555-I558 VanDerWaalsContact O-CB 3.22Å; H555-I558 WeakPolarHBondContact O-CB 3.46Å; H555-I558 WeakPolarHBondContact O-CG1 3.38Å; H555-I558 PolarHBondContact O-N 2.79Å; K556-I558 PolarHBondContact O-N 3.37Å; K556-I558 VanDerWaalsContact O-N 3.16Å; I558-I575 HydrophobicContact CG1-CD1 4Å
559	H	65.4	Low	66.8	Low	86 Å²	86	77.4 Å²	77.4	40%	0.398	40%	0.396	S	S	.	.	H	α-helix	trans	-80.5	-44.9	177	-55.3	-52.6	0	0	0	111.8	E541 C542 K556 G561	E541-H559 IonicContact OE2-CD2 2.63Å; C542-H559 WeakPolarHBondContact CB-NE2 3.48Å; C542-H559 PolarHBondContact SG-NE2 3.17Å; K556-H559 WeakPolarHBondContact O-CA 3.27Å; K556-H559 WeakPolarHBondContact O-CB 3.38Å; K556-H559 PolarHBondContact O-N 2.93Å; H559-G561 PolarHBondContact O-N 2.97Å
560	T	60.8	Low	66.8	Low	78 Å²	78	76.2 Å²	76.2	48%	0.479	39%	0.393	S	S	.	.	S	Bend	trans	-77	1.2	178.2	68.1	0	0	0	0	114.3	K556 E562	K556-T560 PolarHBondContact O-N 2.97Å; T560-E562 PolarHBondContact O-N 2.79Å
561	G	61.3	Low	66.6	Low	47 Å²	47	74.2 Å²	74.2	49%	0.485	39%	0.388	S	S	.	.			trans	66.6	-7.6	-176.9	0	0	0	0	0	115.7	R557 H559 R563	R557-G561 CarbonylContact O-C 3.56Å; R557-G561 PolarHBondContact O-N 2.88Å; H559-G561 PolarHBondContact O-N 2.97Å; G561-R563 PolarHBondContact O-N 3.25Å
562	E	64.5	Low	66.4	Low	93 Å²	93	78.6 Å²	78.6	44%	0.435	40%	0.399	S	S	.	.			trans	-51	120.8	-175.2	-90	-175.1	-148.9	0	0	113.2	R557 T560 P564	R557-E562 HydrophobicContact CB-CB 4Å; R557-E562 HydrophobicContact CG-CB 3.83Å; R557-E562 WeakPolarHBondContact CG-OE2 3.44Å; R557-E562 IonicContact CZ-OE2 3.54Å; R557-E562 IonicContact NE-OE2 2.62Å; R557-E562 PolarHBondContact NE-OE2 3.33Å; R557-E562 IonicContact NH2-OE2 2.58Å; R557-E562 PolarHBondContact O-N 3.16Å; T560-E562 PolarHBondContact O-N 2.79Å; E562-P564 HydrophobicContact CB-CG 4.34Å
563	R	69.1	Low	66.2	Low	147 Å²	147	78.9 Å²	78.9	56%	0.555	40%	0.403	S	S	*	.			trans	-124.6	70	172.8	-70.1	162.6	178.2	-124.3	16.6	111.2	G561 Y565 A573 Y574 I575	G561-R563 PolarHBondContact O-N 3.25Å; R563-Y565 PolarHBondContact O-N 3.33Å; R563-Y565 VanDerWaalsContact O-N 3.08Å; R563-A573 HydrophobicContact CB-CB 3.59Å; R563-A573 WeakPolarHBondContact CD-O 3.27Å; R563-A573 HydrophobicContact CG-CB 4.46Å; R563-A573 PolarHBondContact NH1-O 3.43Å; R563-Y574 CarbonylContact C-O 3.54Å; R563-Y574 VanDerWaalsContact C-O 3.25Å; R563-Y574 WeakPolarHBondContact CA-O 3.49Å; R563-I575 HydrophobicContact CG-CG1 3.84Å
564	P	71.8	Confident	66.6	Low	69 Å²	69	74.7 Å²	74.7	45%	0.448	38%	0.384	S	S	.	.			trans	-71.7	-6	-169.2	-18.6	34.6	0	0	0	114.8	E562	E562-P564 HydrophobicContact CB-CG 4.34Å
565	Y	70.2	Confident	66.5	Low	75 Å²	75	73.8 Å²	73.8	29%	0.294	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-111.4	85.4	-176.1	-53.2	-73.5	0	0	0	109.5	R563 Y574 L577	R563-Y565 PolarHBondContact O-N 3.33Å; R563-Y565 VanDerWaalsContact O-N 3.08Å; Y565-Y574 WeakPolarHBondContact CD2-O 3.47Å; Y565-Y574 PolarHBondContact N-O 3.39Å; Y565-Y574 PolarHBondContact O-N 2.98Å; Y565-L577 HydrophobicContact CD1-CB 4.02Å; Y565-L577 HydrophobicContact CD1-CD1 4.09Å; Y565-L577 VanDerWaalsContact CD2-N 3.29Å; Y565-L577 HydrophobicContact CE1-CB 3.88Å; Y565-L577 HydrophobicContact CE1-CD1 4.44Å; Y565-L577 HydrophobicContact CE2-CB 4.37Å; Y565-L577 HydrophobicContact CG-CB 4.34Å
566	K	60.1	Low	66.5	Low	132 Å²	132	73.9 Å²	73.9	57%	0.574	38%	0.379	S	S	*	.			trans	-71.2	158.4	170.9	-64.3	-175.3	-179.9	-178.5	0	110.6	K572 A573 L580	K566-K572 CarbonylContact C-O 3.19Å; K566-A573 HydrophobicContact CG-CB 4.12Å; K566-L580 WeakPolarHBondContact O-CD1 3.34Å; K566-L580 VanDerWaalsContact O-CD2 3.22Å; K566-L580 WeakPolarHBondContact O-CD2 3.37Å
567	C	69.1	Low	66.3	Low	1 Å²	1	75.4 Å²	75.4	1%	0.007	39%	0.39	C	S	.	.			trans	-112.4	110.1	171.7	-163.2	0	0	0	0	108.4	E569 C570 G571 K572 L580 H587	C567-E569 PolarHBondContact O-N 2.94Å; C567-E569 VanDerWaalsContact O-N 3.17Å; C567-C570 PolarHBondContact O-N 2.65Å; C567-G571 WeakPolarHBondContact O-CA 3.35Å; C567-G571 PolarHBondContact O-N 3.38Å; C567-K572 PolarHBondContact N-O 2.99Å; C567-L580 HydrophobicContact CB-CD1 3.47Å; C567-L580 VanDerWaalsContact CB-CD1 3.47Å; C567-H587 PolarHBondContact SG-NE2 3.04Å; C567-H587 VanDerWaalsContact SG-NE2 3.38Å
568	E	65.2	Low	65.7	Low	159 Å²	159	76.3 Å²	76.3	74%	0.743	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-33.4	-175	-46.1	-41.1	122.8	0	0	112.6	C570	E568-C570 PolarHBondContact O-N 3.1Å
569	E	58.2	Low	65.9	Low	86 Å²	86	74 Å²	74	40%	0.402	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.3	178.9	-66.5	163.6	99.4	0	0	114.8	C567 K584 H587	C567-E569 PolarHBondContact O-N 2.94Å; C567-E569 VanDerWaalsContact O-N 3.17Å; E569-K584 IonicContact OE2-NZ 3.26Å; E569-K584 PolarHBondContact OE2-NZ 2.8Å; E569-H587 WeakPolarHBondContact OE1-CB 3.47Å; E569-H587 IonicContact OE1-CD2 2.68Å; E569-H587 IonicContact OE1-CG 2.71Å; E569-H587 IonicContact OE2-CD2 3.66Å; E569-H587 PolarHBondContact OE2-CD2 3.01Å
570	C	66.6	Low	66	Low	49 Å²	49	70.8 Å²	70.8	33%	0.331	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160.5	12.2	-178.5	66.7	0	0	0	0	116.4	C567 E568 K572 H583 H587	C567-C570 PolarHBondContact O-N 2.65Å; E568-C570 PolarHBondContact O-N 3.1Å; C570-K572 PolarHBondContact O-N 3.09Å; C570-H583 PolarHBondContact SG-NE2 3.23Å; C570-H587 PolarHBondContact SG-CE1 3.36Å; C570-H587 PolarHBondContact SG-NE2 3.1Å
571	G	63.2	Low	66.2	Low	54 Å²	54	70.1 Å²	70.1	56%	0.557	38%	0.376	S	S	*	.			trans	66.8	-14.1	-177	0	0	0	0	0	116.7	C567 A573	C567-G571 WeakPolarHBondContact O-CA 3.35Å; C567-G571 PolarHBondContact O-N 3.38Å; G571-A573 PolarHBondContact O-N 2.92Å
572	K	64.3	Low	66.2	Low	121 Å²	121	73.4 Å²	73.4	53%	0.526	38%	0.383	S	S	.	.			trans	-63.6	125.1	-169.3	-71.4	173.9	-178	169.2	0	112	K566 C567 C570 Y574	K566-K572 CarbonylContact C-O 3.19Å; C567-K572 PolarHBondContact N-O 2.99Å; C570-K572 PolarHBondContact O-N 3.09Å; K572-Y574 HydrophobicContact CB-CE2 3.68Å; K572-Y574 VanDerWaalsContact O-CD2 3.27Å; K572-Y574 WeakPolarHBondContact O-CD2 3.4Å; K572-Y574 WeakPolarHBondContact O-CE2 3.46Å
573	A	69.9	Low	66.2	Low	24 Å²	24	70 Å²	70	20%	0.198	37%	0.367	C	S	.	.			trans	-101.5	132.5	-172.9	0	0	0	0	0	112.8	R563 K566 G571	R563-A573 HydrophobicContact CB-CB 3.59Å; R563-A573 WeakPolarHBondContact CD-O 3.27Å; R563-A573 HydrophobicContact CG-CB 4.46Å; R563-A573 PolarHBondContact NH1-O 3.43Å; K566-A573 HydrophobicContact CG-CB 4.12Å; G571-A573 PolarHBondContact O-N 2.92Å
574	Y	74.5	Confident	65.7	Low	55 Å²	55	66.5 Å²	66.5	22%	0.216	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-121.2	146.8	-173.1	-65.7	-84.3	0	0	0	113.6	R563 Y565 K572 S576 L580 H583	R563-Y574 CarbonylContact C-O 3.54Å; R563-Y574 VanDerWaalsContact C-O 3.25Å; R563-Y574 WeakPolarHBondContact CA-O 3.49Å; Y565-Y574 WeakPolarHBondContact CD2-O 3.47Å; Y565-Y574 PolarHBondContact N-O 3.39Å; Y565-Y574 PolarHBondContact O-N 2.98Å; K572-Y574 HydrophobicContact CB-CE2 3.68Å; K572-Y574 VanDerWaalsContact O-CD2 3.27Å; K572-Y574 WeakPolarHBondContact O-CD2 3.4Å; K572-Y574 WeakPolarHBondContact O-CE2 3.46Å; Y574-S576 VanDerWaalsContact C-N 3.35Å; Y574-L580 HydrophobicContact CD2-CB 4.33Å; Y574-L580 HydrophobicContact CD2-CD1 4.01Å; Y574-L580 HydrophobicContact CE2-CD1 4.48Å; Y574-H583 HydrophobicContact CD2-CB 4.48Å; Y574-H583 HydrophobicContact CE1-CB 4.16Å; Y574-H583 HydrophobicContact CE2-CB 3.84Å; Y574-H583 AromaticContact CE2-CD2 3.28Å; Y574-H583 WeakPolarHBondContact CE2-CD2 3.41Å; Y574-H583 AromaticContact CE2-CG 3.66Å; Y574-H583 AromaticContact CZ-CD2 3.48Å; Y574-H583 VanDerWaalsContact CZ-CD2 3.48Å; Y574-H583 AromaticContact CZ-CG 3.46Å; Y574-H583 VanDerWaalsContact CZ-CG 3.46Å; Y574-H583 PolarHBondContact OH-CD2 3.1Å; Y574-H583 PolarHBondContact OH-ND1 2.95Å; Y574-H583 PolarHBondContact OH-NE2 3.36Å
575	I	64.8	Low	65.1	Low	41 Å²	41	66.2 Å²	66.2	21%	0.21	36%	0.355	C	S	.	.	S	Bend	trans	-73.5	-26.1	-177.5	-55.4	-177.5	0	0	0	112	V554 R557 I558 R563	V554-I575 HydrophobicContact CG1-CG2 4.47Å; V554-I575 WeakPolarHBondContact O-CG2 3.2Å; R557-I575 HydrophobicContact CB-CG2 3.52Å; R557-I575 PolarHBondContact NH1-O 3.27Å; I558-I575 HydrophobicContact CG1-CD1 4Å; R563-I575 HydrophobicContact CG-CG1 3.84Å
576	S	72.4	Confident	64.4	Low	18 Å²	18	67.4 Å²	67.4	13%	0.126	37%	0.37	C	S	.	.	S	Bend	trans	-137.1	147.1	179.2	91.8	0	0	0	0	113	Y574 S578 S579 L580	Y574-S576 VanDerWaalsContact C-N 3.35Å; S576-S578 PolarHBondContact O-N 3.27Å; S576-S579 WeakPolarHBondContact O-CA 3.28Å; S576-S579 VanDerWaalsContact O-CB 3.27Å; S576-S579 WeakPolarHBondContact O-CB 3.19Å; S576-S579 PolarHBondContact O-N 2.98Å; S576-S579 PolarHBondContact OG-N 3.4Å; S576-S579 PolarHBondContact OG-OG 3.4Å; S576-L580 PolarHBondContact O-N 3.48Å; S576-L580 VanDerWaalsContact O-N 3.09Å
577	L	62.9	Low	64.2	Low	89 Å²	89	62.5 Å²	62.5	47%	0.466	35%	0.349	S	S	.	.	H	α-helix	trans	-59.4	-34.3	175.6	-179.4	60.5	0	0	0	112.3	Y565 S579 L580 I581	Y565-L577 HydrophobicContact CD1-CB 4.02Å; Y565-L577 HydrophobicContact CD1-CD1 4.09Å; Y565-L577 VanDerWaalsContact CD2-N 3.29Å; Y565-L577 HydrophobicContact CE1-CB 3.88Å; Y565-L577 HydrophobicContact CE1-CD1 4.44Å; Y565-L577 HydrophobicContact CE2-CB 4.37Å; Y565-L577 HydrophobicContact CG-CB 4.34Å; L577-S579 VanDerWaalsContact C-N 3.29Å; L577-S579 PolarHBondContact O-N 2.78Å; L577-L580 HydrophobicContact CD1-CD2 4.38Å; L577-L580 PolarHBondContact O-N 3.31Å; L577-I581 HydrophobicContact CD1-CD1 4.29Å; L577-I581 HydrophobicContact CD1-CG1 4.42Å; L577-I581 HydrophobicContact CG-CD1 3.96Å; L577-I581 VanDerWaalsContact O-CG1 3.31Å; L577-I581 WeakPolarHBondContact O-CG1 3.49Å; L577-I581 PolarHBondContact O-N 3.39Å
578	S	61.6	Low	63.4	Low	80 Å²	80	68.9 Å²	68.9	56%	0.559	39%	0.391	S	S	*	.	H	α-helix	trans	-67.3	-30.4	174.4	-55.2	0	0	0	0	112.6	S576 N582	S576-S578 PolarHBondContact O-N 3.27Å; S578-N582 WeakPolarHBondContact O-CB 3.29Å; S578-N582 PolarHBondContact O-N 3.29Å; S578-N582 VanDerWaalsContact O-N 3.07Å; S578-N582 PolarHBondContact O-ND2 2.86Å
579	S	68.8	Low	62.8	Low	49 Å²	49	64.2 Å²	64.2	34%	0.343	39%	0.385	S	S	.	.	H	α-helix	trans	-70.6	-40.5	172.5	-53.8	0	0	0	0	111.3	S576 L577 N582 H583	S576-S579 WeakPolarHBondContact O-CA 3.28Å; S576-S579 VanDerWaalsContact O-CB 3.27Å; S576-S579 WeakPolarHBondContact O-CB 3.19Å; S576-S579 PolarHBondContact O-N 2.98Å; S576-S579 PolarHBondContact OG-N 3.4Å; S576-S579 PolarHBondContact OG-OG 3.4Å; L577-S579 VanDerWaalsContact C-N 3.29Å; L577-S579 PolarHBondContact O-N 2.78Å; S579-N582 PolarHBondContact O-N 3.45Å; S579-H583 WeakPolarHBondContact O-CB 3.17Å; S579-H583 PolarHBondContact O-N 3.36Å
580	L	67.8	Low	62.7	Low	20 Å²	20	66.7 Å²	66.7	11%	0.105	40%	0.396	C	S	.	.	H	α-helix	trans	-64.2	-45.8	173.9	175.4	63	0	0	0	112	K566 C567 Y574 S576 L577 N582 H583 K584	K566-L580 WeakPolarHBondContact O-CD1 3.34Å; K566-L580 VanDerWaalsContact O-CD2 3.22Å; K566-L580 WeakPolarHBondContact O-CD2 3.37Å; C567-L580 HydrophobicContact CB-CD1 3.47Å; C567-L580 VanDerWaalsContact CB-CD1 3.47Å; Y574-L580 HydrophobicContact CD2-CB 4.33Å; Y574-L580 HydrophobicContact CD2-CD1 4.01Å; Y574-L580 HydrophobicContact CE2-CD1 4.48Å; S576-L580 PolarHBondContact O-N 3.48Å; S576-L580 VanDerWaalsContact O-N 3.09Å; L577-L580 HydrophobicContact CD1-CD2 4.38Å; L577-L580 PolarHBondContact O-N 3.31Å; L580-N582 VanDerWaalsContact C-N 3.29Å; L580-N582 PolarHBondContact O-N 3.34Å; L580-H583 CarbonylContact O-C 3.56Å; L580-H583 WeakPolarHBondContact O-CA 3.16Å; L580-H583 WeakPolarHBondContact O-CB 3.18Å; L580-H583 PolarHBondContact O-N 3.3Å; L580-K584 PolarHBondContact O-N 2.96Å
581	I	64.8	Low	62.2	Low	63 Å²	63	69 Å²	69	32%	0.323	40%	0.401	S	S	.	.	H	α-helix	trans	-61.7	-39.3	177.1	-68.3	165.2	0	0	0	110.9	L577 H583 K584 I603 T604	L577-I581 HydrophobicContact CD1-CD1 4.29Å; L577-I581 HydrophobicContact CD1-CG1 4.42Å; L577-I581 HydrophobicContact CG-CD1 3.96Å; L577-I581 VanDerWaalsContact O-CG1 3.31Å; L577-I581 WeakPolarHBondContact O-CG1 3.49Å; L577-I581 PolarHBondContact O-N 3.39Å; I581-H583 VanDerWaalsContact C-N 3.3Å; I581-K584 PolarHBondContact O-N 3.21Å; I581-I603 HydrophobicContact CG2-CG2 4.22Å; I581-T604 HydrophobicContact CG2-CG2 4.15Å
582	N	60.8	Low	61.9	Low	116 Å²	116	70.6 Å²	70.6	62%	0.62	40%	0.402	S	S	*	.	H	α-helix	trans	-69.8	-26	172.2	-70.9	-9.3	0	0	0	112.8	S578 S579 L580 S585	S578-N582 WeakPolarHBondContact O-CB 3.29Å; S578-N582 PolarHBondContact O-N 3.29Å; S578-N582 VanDerWaalsContact O-N 3.07Å; S578-N582 PolarHBondContact O-ND2 2.86Å; S579-N582 PolarHBondContact O-N 3.45Å; L580-N582 VanDerWaalsContact C-N 3.29Å; L580-N582 PolarHBondContact O-N 3.34Å; N582-S585 PolarHBondContact O-OG 2.84Å
583	H	64.8	Low	61.6	Low	21 Å²	21	68.1 Å²	68.1	10%	0.097	39%	0.391	C	S	.	.	H	α-helix	trans	-75.5	-37.9	174.2	-179.1	41.2	0	0	0	112.3	C570 Y574 S579 L580 I581 S585 V586 H587	C570-H583 PolarHBondContact SG-NE2 3.23Å; Y574-H583 HydrophobicContact CD2-CB 4.48Å; Y574-H583 HydrophobicContact CE1-CB 4.16Å; Y574-H583 HydrophobicContact CE2-CB 3.84Å; Y574-H583 AromaticContact CE2-CD2 3.28Å; Y574-H583 WeakPolarHBondContact CE2-CD2 3.41Å; Y574-H583 AromaticContact CE2-CG 3.66Å; Y574-H583 AromaticContact CZ-CD2 3.48Å; Y574-H583 VanDerWaalsContact CZ-CD2 3.48Å; Y574-H583 AromaticContact CZ-CG 3.46Å; Y574-H583 VanDerWaalsContact CZ-CG 3.46Å; Y574-H583 PolarHBondContact OH-CD2 3.1Å; Y574-H583 PolarHBondContact OH-ND1 2.95Å; Y574-H583 PolarHBondContact OH-NE2 3.36Å; S579-H583 WeakPolarHBondContact O-CB 3.17Å; S579-H583 PolarHBondContact O-N 3.36Å; L580-H583 CarbonylContact O-C 3.56Å; L580-H583 WeakPolarHBondContact O-CA 3.16Å; L580-H583 WeakPolarHBondContact O-CB 3.18Å; L580-H583 PolarHBondContact O-N 3.3Å; I581-H583 VanDerWaalsContact C-N 3.3Å; H583-S585 PolarHBondContact O-N 3.07Å; H583-V586 VanDerWaalsContact O-CB 3.23Å; H583-V586 WeakPolarHBondContact O-CB 3.31Å; H583-V586 WeakPolarHBondContact O-CG2 3.3Å; H583-V586 PolarHBondContact O-N 3.45Å; H583-H587 AromaticContact CD2-NE2 3.96Å; H583-H587 AromaticContact NE2-CE1 3.84Å; H583-H587 AromaticContact NE2-NE2 3.53Å
584	K	58.8	Low	60.7	Low	75 Å²	75	74.2 Å²	74.2	33%	0.326	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-13.6	173.7	-80.2	-175.4	166.5	-87.6	0	113.8	E569 L580 I581 V586	E569-K584 IonicContact OE2-NZ 3.26Å; E569-K584 PolarHBondContact OE2-NZ 2.8Å; L580-K584 PolarHBondContact O-N 2.96Å; I581-K584 PolarHBondContact O-N 3.21Å; K584-V586 PolarHBondContact O-N 2.6Å
585	S	58.8	Low	60	Low	62 Å²	62	71.6 Å²	71.6	43%	0.434	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-2.4	167.8	84.6	0	0	0	0	115.1	N582 H583 I603	N582-S585 PolarHBondContact O-OG 2.84Å; H583-S585 PolarHBondContact O-N 3.07Å; S585-I603 VanDerWaalsContact CB-CD1 3.45Å
586	V	54.7	Low	59.7	Low	100 Å²	100	75.8 Å²	75.8	61%	0.606	43%	0.425	S	S	*	.	S	Bend	trans	-96	-21.8	178.2	-175	0	0	0	0	111.2	H583 K584	H583-V586 VanDerWaalsContact O-CB 3.23Å; H583-V586 WeakPolarHBondContact O-CB 3.31Å; H583-V586 WeakPolarHBondContact O-CG2 3.3Å; H583-V586 PolarHBondContact O-N 3.45Å; K584-V586 PolarHBondContact O-N 2.6Å
587	H	57.1	Low	58.9	Low	29 Å²	29	79.6 Å²	79.6	13%	0.134	44%	0.441	C	S	.	.	S	Bend	trans	-79.1	125.8	177	-62.3	-48.6	0	0	0	110.8	C567 E569 C570 H583 G589	C567-H587 PolarHBondContact SG-NE2 3.04Å; C567-H587 VanDerWaalsContact SG-NE2 3.38Å; E569-H587 WeakPolarHBondContact OE1-CB 3.47Å; E569-H587 IonicContact OE1-CD2 2.68Å; E569-H587 IonicContact OE1-CG 2.71Å; E569-H587 IonicContact OE2-CD2 3.66Å; E569-H587 PolarHBondContact OE2-CD2 3.01Å; C570-H587 PolarHBondContact SG-CE1 3.36Å; C570-H587 PolarHBondContact SG-NE2 3.1Å; H583-H587 AromaticContact CD2-NE2 3.96Å; H583-H587 AromaticContact NE2-CE1 3.84Å; H583-H587 AromaticContact NE2-NE2 3.53Å; H587-G589 PolarHBondContact O-N 3.2Å
588	P	52.3	Low	58.6	Low	136 Å²	136	77.1 Å²	77.1	88%	0.883	43%	0.431	S	S	*	.	S	Bend	trans	-82.5	61.5	178.4	35.4	-35.5	0	0	0	110.9
589	G	52.2	Low	58.2	Low	60 Å²	60	81.5 Å²	81.5	62%	0.619	44%	0.442	S	S	*	.	S	Bend	trans	-140.5	-88.4	177.9	0	0	0	0	0	110.7	H587 K591	H587-G589 PolarHBondContact O-N 3.2Å; G589-K591 PolarHBondContact O-N 2.91Å
590	E	54.6	Low	57.2	Low	138 Å²	138	84.7 Å²	84.7	65%	0.645	45%	0.45	S	S	*	.			trans	-90	113.8	-170	-61.9	-163.7	151.2	0	0	114.6
591	K	56.8	Low	56.5	Low	99 Å²	99	85.3 Å²	85.3	43%	0.43	46%	0.458	S	S	.	.			trans	-120.5	86.2	163.9	-65	175.7	-166.6	161.7	0	107.9	G589 F593 A601 F602 I603	G589-K591 PolarHBondContact O-N 2.91Å; K591-F593 PolarHBondContact O-N 3.11Å; K591-A601 HydrophobicContact CB-CB 3.48Å; K591-A601 VanDerWaalsContact CB-CB 3.48Å; K591-A601 HydrophobicContact CD-CB 4.1Å; K591-A601 WeakPolarHBondContact CD-O 3.47Å; K591-A601 HydrophobicContact CG-CB 4.44Å; K591-F602 CarbonylContact C-O 3.21Å; K591-I603 HydrophobicContact CG-CD1 4.47Å; K591-I603 HydrophobicContact CG-CG1 4.38Å
592	P	56.7	Low	56.4	Low	87 Å²	87	84.4 Å²	84.4	57%	0.565	45%	0.452	S	S	*	.			trans	-64.5	-15.1	-162.2	-26.1	35.8	0	0	0	115.9
593	F	58.2	Low	56.2	Low	69 Å²	69	81.2 Å²	81.2	30%	0.303	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-109.9	79.6	-174.4	-56.5	-78.1	0	0	0	110.3	K591 F602 T604 Y605 L608	K591-F593 PolarHBondContact O-N 3.11Å; F593-F602 HydrophobicContact CB-CB 4.29Å; F593-F602 WeakPolarHBondContact CB-O 3.36Å; F593-F602 PolarHBondContact N-O 3.02Å; F593-F602 PolarHBondContact O-N 3.24Å; F593-T604 VanDerWaalsContact CD2-CA 3.48Å; F593-Y605 HydrophobicContact CD1-CD2 4.02Å; F593-Y605 HydrophobicContact CD1-CG 4.44Å; F593-Y605 VanDerWaalsContact CD2-N 3.31Å; F593-Y605 HydrophobicContact CE1-CD2 4.21Å; F593-Y605 HydrophobicContact CE1-CG 4.35Å; F593-L608 HydrophobicContact CB-CB 4.02Å; F593-L608 HydrophobicContact CB-CD2 3.91Å
594	K	52	Low	55.7	Low	151 Å²	151	82.5 Å²	82.5	66%	0.657	44%	0.444	S	S	*	.			trans	-62.9	155.8	171.5	-65.3	-173.4	179.5	-177.4	0	111.1	A601 L608	K594-A601 HydrophobicContact CG-CB 4.06Å; K594-L608 WeakPolarHBondContact O-CD1 3.35Å; K594-L608 VanDerWaalsContact O-CD2 3.27Å; K594-L608 WeakPolarHBondContact O-CD2 3.25Å
595	C	60	Low	55.1	Low	0 Å²	0	86 Å²	86	0%	0	46%	0.456	C	S	.	.			trans	-115.7	105.9	176.8	-171.9	0	0	0	0	109.9	E597 C598 E599 K600 F602 L608 H611 H615	C595-E597 PolarHBondContact O-N 3.33Å; C595-C598 PolarHBondContact O-N 3.1Å; C595-E599 WeakPolarHBondContact O-CA 3.43Å; C595-E599 PolarHBondContact O-N 2.77Å; C595-K600 WeakPolarHBondContact CB-O 3.39Å; C595-K600 PolarHBondContact N-O 3.05Å; C595-F602 HydrophobicContact CB-CE2 4.23Å; C595-L608 HydrophobicContact CB-CD1 3.52Å; C595-H611 VanDerWaalsContact SG-CD2 3.53Å; C595-H615 PolarHBondContact SG-NE2 3.1Å
596	D	58.3	Low	54.6	Low	130 Å²	130	92.3 Å²	92.3	70%	0.695	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-26.5	-170.6	-31.9	-53.9	0	0	0	113.4	K612	D596-K612 WeakPolarHBondContact OD2-CE 3.25Å; D596-K612 IonicContact OD2-NZ 2.8Å; D596-K612 PolarHBondContact OD2-NZ 2.69Å
597	E	55.5	Low	54.7	Low	98 Å²	98	90.5 Å²	90.5	46%	0.458	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-10.3	-179.3	-62.7	155.4	121.9	0	0	114.8	C595 K612 H615	C595-E597 PolarHBondContact O-N 3.33Å; E597-K612 WeakPolarHBondContact OE2-CD 3.45Å; E597-K612 WeakPolarHBondContact OE2-CG 3.48Å; E597-K612 IonicContact OE2-NZ 3.36Å; E597-H615 HydrophobicContact CB-CB 4.47Å; E597-H615 IonicContact OE2-CD2 2.73Å; E597-H615 PolarHBondContact OE2-CD2 3.07Å; E597-H615 VanDerWaalsContact OE2-CD2 3.31Å; E597-H615 IonicContact OE2-CG 3.62Å
598	C	55.8	Low	54.6	Low	36 Å²	36	89.9 Å²	89.9	24%	0.243	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-162.9	20.8	177.8	76.2	0	0	0	0	116	C595 K600 H611 H615	C595-C598 PolarHBondContact O-N 3.1Å; C598-K600 PolarHBondContact O-N 3.1Å; C598-K600 PolarHBondContact SG-NZ 3.46Å; C598-H611 PolarHBondContact SG-NE2 3.39Å; C598-H615 PolarHBondContact SG-CE1 2.83Å; C598-H615 PolarHBondContact SG-NE2 3.18Å
599	E	52.4	Low	54.9	Low	172 Å²	172	86.8 Å²	86.8	80%	0.804	43%	0.432	S	S	*	.			trans	58.7	-8.8	-179.8	-53.4	-169.1	128.8	0	0	117.6	C595 A601	C595-E599 WeakPolarHBondContact O-CA 3.43Å; C595-E599 PolarHBondContact O-N 2.77Å; E599-A601 PolarHBondContact O-N 3.44Å; E599-A601 VanDerWaalsContact O-N 3.09Å
600	K	49.2	Very low	55.1	Low	116 Å²	116	86.7 Å²	86.7	50%	0.504	42%	0.418	S	S	.	.			trans	-59.3	118.4	-178.3	-70.1	176.5	-167.3	69.2	0	110.7	C595 C598 F602	C595-K600 WeakPolarHBondContact CB-O 3.39Å; C595-K600 PolarHBondContact N-O 3.05Å; C598-K600 PolarHBondContact O-N 3.1Å; C598-K600 PolarHBondContact SG-NZ 3.46Å; K600-F602 HydrophobicContact CB-CE2 3.79Å; K600-F602 HydrophobicContact CB-CZ 4.04Å; K600-F602 VanDerWaalsContact O-CD2 3.23Å; K600-F602 WeakPolarHBondContact O-CD2 3.11Å; K600-F602 WeakPolarHBondContact O-CE2 3.43Å
601	A	53.3	Low	55.5	Low	33 Å²	33	81.4 Å²	81.4	27%	0.273	39%	0.393	S	S	.	.			trans	-96.1	141.8	-178.4	0	0	0	0	0	112.4	K591 K594 E599	K591-A601 HydrophobicContact CB-CB 3.48Å; K591-A601 VanDerWaalsContact CB-CB 3.48Å; K591-A601 HydrophobicContact CD-CB 4.1Å; K591-A601 WeakPolarHBondContact CD-O 3.47Å; K591-A601 HydrophobicContact CG-CB 4.44Å; K594-A601 HydrophobicContact CG-CB 4.06Å; E599-A601 PolarHBondContact O-N 3.44Å; E599-A601 VanDerWaalsContact O-N 3.09Å
602	F	62.9	Low	55.5	Low	44 Å²	44	79.8 Å²	79.8	19%	0.193	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-125.6	152.5	-173.7	-64.2	-88.4	0	0	0	112.1	K591 F593 C595 K600 L608 H611	K591-F602 CarbonylContact C-O 3.21Å; F593-F602 HydrophobicContact CB-CB 4.29Å; F593-F602 WeakPolarHBondContact CB-O 3.36Å; F593-F602 PolarHBondContact N-O 3.02Å; F593-F602 PolarHBondContact O-N 3.24Å; C595-F602 HydrophobicContact CB-CE2 4.23Å; K600-F602 HydrophobicContact CB-CE2 3.79Å; K600-F602 HydrophobicContact CB-CZ 4.04Å; K600-F602 VanDerWaalsContact O-CD2 3.23Å; K600-F602 WeakPolarHBondContact O-CD2 3.11Å; K600-F602 WeakPolarHBondContact O-CE2 3.43Å; F602-L608 HydrophobicContact CB-CB 4.45Å; F602-L608 HydrophobicContact CD2-CB 4.36Å; F602-L608 HydrophobicContact CD2-CD1 4.04Å; F602-L608 HydrophobicContact CE2-CD1 4.45Å; F602-H611 HydrophobicContact CE1-CB 4.11Å; F602-H611 HydrophobicContact CE2-CB 3.83Å; F602-H611 AromaticContact CE2-CD2 3.18Å; F602-H611 WeakPolarHBondContact CE2-CD2 3.4Å; F602-H611 AromaticContact CE2-CG 3.58Å; F602-H611 AromaticContact CE2-NE2 3.96Å; F602-H611 HydrophobicContact CZ-CB 3.56Å; F602-H611 AromaticContact CZ-CD2 3.29Å; F602-H611 WeakPolarHBondContact CZ-CD2 3.4Å; F602-H611 AromaticContact CZ-CG 3.27Å; F602-H611 AromaticContact CZ-ND1 3.89Å; F602-H611 AromaticContact CZ-NE2 3.89Å
603	I	54.7	Low	55.7	Low	49 Å²	49	79.9 Å²	79.9	25%	0.251	38%	0.377	S	S	.	.	S	Bend	trans	-80.5	-20.3	-179.1	-56.6	90.3	0	0	0	111.7	I581 S585 K591	I581-I603 HydrophobicContact CG2-CG2 4.22Å; S585-I603 VanDerWaalsContact CB-CD1 3.45Å; K591-I603 HydrophobicContact CG-CD1 4.47Å; K591-I603 HydrophobicContact CG-CG1 4.38Å
604	T	55.3	Low	55.6	Low	48 Å²	48	80.1 Å²	80.1	29%	0.294	38%	0.384	S	S	.	.	S	Bend	trans	-136.2	145.1	175.3	78.8	0	0	0	0	113.4	I581 F593 R606 T607 L608	I581-T604 HydrophobicContact CG2-CG2 4.15Å; F593-T604 VanDerWaalsContact CD2-CA 3.48Å; T604-R606 PolarHBondContact O-N 2.8Å; T604-T607 PolarHBondContact N-OG1 3.14Å; T604-T607 PolarHBondContact O-N 3.04Å; T604-T607 PolarHBondContact O-OG1 3.25Å; T604-T607 PolarHBondContact OG1-N 2.89Å; T604-T607 VanDerWaalsContact OG1-N 3.15Å; T604-T607 PolarHBondContact OG1-OG1 3.37Å; T604-L608 PolarHBondContact O-N 3.26Å
605	Y	46.8	Very low	55.7	Low	148 Å²	148	76.2 Å²	76.2	58%	0.58	37%	0.368	S	S	*	.	H	α-helix	trans	-53	-33.8	171.1	-173.6	-118.3	0	0	0	113.1	F593 L608 I609	F593-Y605 HydrophobicContact CD1-CD2 4.02Å; F593-Y605 HydrophobicContact CD1-CG 4.44Å; F593-Y605 VanDerWaalsContact CD2-N 3.31Å; F593-Y605 HydrophobicContact CE1-CD2 4.21Å; F593-Y605 HydrophobicContact CE1-CG 4.35Å; Y605-L608 PolarHBondContact O-N 2.85Å; Y605-I609 HydrophobicContact CD1-CD1 3.84Å; Y605-I609 HydrophobicContact CE1-CD1 3.4Å; Y605-I609 VanDerWaalsContact CE1-CD1 3.4Å; Y605-I609 HydrophobicContact CE1-CG1 4.36Å; Y605-I609 HydrophobicContact CE2-CD1 4.37Å; Y605-I609 HydrophobicContact CG-CD1 4.49Å; Y605-I609 PolarHBondContact O-N 3.39Å
606	R	47.8	Very low	55.4	Low	196 Å²	196	81.6 Å²	81.6	74%	0.74	40%	0.396	S	S	*	.	H	α-helix	trans	-70.6	-34.7	177.8	-166.9	175.2	-171.4	166	3.8	112.6	T604 N610	T604-R606 PolarHBondContact O-N 2.8Å; R606-N610 WeakPolarHBondContact O-CB 3.12Å; R606-N610 VanDerWaalsContact O-CG 3.28Å; R606-N610 PolarHBondContact O-N 2.8Å
607	T	56.2	Low	55	Low	61 Å²	61	77.8 Å²	77.8	37%	0.374	39%	0.388	S	S	.	.	H	α-helix	trans	-71.4	-36	170.8	37.2	0	0	0	0	112.1	T604 N610 H611	T604-T607 PolarHBondContact N-OG1 3.14Å; T604-T607 PolarHBondContact O-N 3.04Å; T604-T607 PolarHBondContact O-OG1 3.25Å; T604-T607 PolarHBondContact OG1-N 2.89Å; T604-T607 VanDerWaalsContact OG1-N 3.15Å; T604-T607 PolarHBondContact OG1-OG1 3.37Å; T607-N610 PolarHBondContact O-N 3.45Å; T607-H611 WeakPolarHBondContact O-CB 3.06Å; T607-H611 PolarHBondContact O-N 2.96Å
608	L	56.2	Low	54.6	Low	16 Å²	16	78 Å²	78	8%	0.084	39%	0.389	C	S	.	.	H	α-helix	trans	-62.6	-49	172.8	175.4	62.4	0	0	0	112	F593 K594 C595 F602 T604 Y605 N610 H611 K612	F593-L608 HydrophobicContact CB-CB 4.02Å; F593-L608 HydrophobicContact CB-CD2 3.91Å; K594-L608 WeakPolarHBondContact O-CD1 3.35Å; K594-L608 VanDerWaalsContact O-CD2 3.27Å; K594-L608 WeakPolarHBondContact O-CD2 3.25Å; C595-L608 HydrophobicContact CB-CD1 3.52Å; F602-L608 HydrophobicContact CB-CB 4.45Å; F602-L608 HydrophobicContact CD2-CB 4.36Å; F602-L608 HydrophobicContact CD2-CD1 4.04Å; F602-L608 HydrophobicContact CE2-CD1 4.45Å; T604-L608 PolarHBondContact O-N 3.26Å; Y605-L608 PolarHBondContact O-N 2.85Å; L608-N610 VanDerWaalsContact C-N 3.29Å; L608-N610 PolarHBondContact O-N 3.19Å; L608-H611 CarbonylContact O-C 3.59Å; L608-H611 WeakPolarHBondContact O-CA 3.22Å; L608-H611 WeakPolarHBondContact O-CB 3.38Å; L608-H611 PolarHBondContact O-N 3.2Å; L608-K612 HydrophobicContact CD1-CG 4.18Å; L608-K612 PolarHBondContact O-N 3.45Å
609	I	58.6	Low	54.5	Low	71 Å²	71	82.5 Å²	82.5	36%	0.364	40%	0.404	S	S	.	.	H	α-helix	trans	-57.9	-42.2	176	-74.3	173.4	0	0	0	111.7	Y605 H611 K613	Y605-I609 HydrophobicContact CD1-CD1 3.84Å; Y605-I609 HydrophobicContact CE1-CD1 3.4Å; Y605-I609 VanDerWaalsContact CE1-CD1 3.4Å; Y605-I609 HydrophobicContact CE1-CG1 4.36Å; Y605-I609 HydrophobicContact CE2-CD1 4.37Å; Y605-I609 HydrophobicContact CG-CD1 4.49Å; Y605-I609 PolarHBondContact O-N 3.39Å; I609-H611 PolarHBondContact O-N 3.42Å; I609-K613 WeakPolarHBondContact O-CG 3.49Å; I609-K613 PolarHBondContact O-N 3.13Å
610	N	55.4	Low	54.7	Low	58 Å²	58	77.6 Å²	77.6	31%	0.31	39%	0.387	S	S	.	.	H	α-helix	trans	-67.8	-20.8	175.8	-75.2	-5.6	0	0	0	112.9	R606 T607 L608 Y632	R606-N610 WeakPolarHBondContact O-CB 3.12Å; R606-N610 VanDerWaalsContact O-CG 3.28Å; R606-N610 PolarHBondContact O-N 2.8Å; T607-N610 PolarHBondContact O-N 3.45Å; L608-N610 VanDerWaalsContact C-N 3.29Å; L608-N610 PolarHBondContact O-N 3.19Å; N610-Y632 HydrophobicContact CB-CE1 4.15Å
611	H	62.8	Low	55.1	Low	28 Å²	28	76.2 Å²	76.2	13%	0.13	38%	0.379	C	S	.	.	H	α-helix	trans	-87.8	-39.7	176.2	-178.6	53.4	0	0	0	113.4	C595 C598 F602 T607 L608 I609 K613 V614 H615	C595-H611 VanDerWaalsContact SG-CD2 3.53Å; C598-H611 PolarHBondContact SG-NE2 3.39Å; F602-H611 HydrophobicContact CE1-CB 4.11Å; F602-H611 HydrophobicContact CE2-CB 3.83Å; F602-H611 AromaticContact CE2-CD2 3.18Å; F602-H611 WeakPolarHBondContact CE2-CD2 3.4Å; F602-H611 AromaticContact CE2-CG 3.58Å; F602-H611 AromaticContact CE2-NE2 3.96Å; F602-H611 HydrophobicContact CZ-CB 3.56Å; F602-H611 AromaticContact CZ-CD2 3.29Å; F602-H611 WeakPolarHBondContact CZ-CD2 3.4Å; F602-H611 AromaticContact CZ-CG 3.27Å; F602-H611 AromaticContact CZ-ND1 3.89Å; F602-H611 AromaticContact CZ-NE2 3.89Å; T607-H611 WeakPolarHBondContact O-CB 3.06Å; T607-H611 PolarHBondContact O-N 2.96Å; L608-H611 CarbonylContact O-C 3.59Å; L608-H611 WeakPolarHBondContact O-CA 3.22Å; L608-H611 WeakPolarHBondContact O-CB 3.38Å; L608-H611 PolarHBondContact O-N 3.2Å; I609-H611 PolarHBondContact O-N 3.42Å; H611-K613 PolarHBondContact O-N 3.27Å; H611-V614 WeakPolarHBondContact O-CA 3.48Å; H611-V614 WeakPolarHBondContact O-CB 3.37Å; H611-V614 WeakPolarHBondContact O-CG2 3.32Å; H611-V614 PolarHBondContact O-N 3.11Å; H611-H615 AromaticContact CD2-NE2 3.75Å; H611-H615 AromaticContact CE1-CE1 3.91Å; H611-H615 AromaticContact CE1-NE2 3.73Å; H611-H615 AromaticContact NE2-CE1 3.73Å; H611-H615 AromaticContact NE2-NE2 3.22Å; H611-H615 PolarHBondContact NE2-NE2 2.71Å
612	K	56.7	Low	54.9	Low	64 Å²	64	81.4 Å²	81.4	28%	0.278	40%	0.396	S	S	.	.	H	α-helix	trans	-58.4	-31.4	173.2	-69.5	-154.8	167.8	-154.3	0	112.7	D596 E597 L608 V614 H615 L616	D596-K612 WeakPolarHBondContact OD2-CE 3.25Å; D596-K612 IonicContact OD2-NZ 2.8Å; D596-K612 PolarHBondContact OD2-NZ 2.69Å; E597-K612 WeakPolarHBondContact OE2-CD 3.45Å; E597-K612 WeakPolarHBondContact OE2-CG 3.48Å; E597-K612 IonicContact OE2-NZ 3.36Å; L608-K612 HydrophobicContact CD1-CG 4.18Å; L608-K612 PolarHBondContact O-N 3.45Å; K612-V614 PolarHBondContact O-N 3.09Å; K612-H615 PolarHBondContact O-N 2.95Å; K612-L616 PolarHBondContact O-N 3.37Å
613	K	61.5	Low	54.8	Low	90 Å²	90	79.3 Å²	79.3	39%	0.391	39%	0.387	S	S	.	.	H	α-helix	trans	-62.7	-5.5	168.4	-73.1	171.1	173.5	-76.5	0	115.3	I609 H611	I609-K613 WeakPolarHBondContact O-CG 3.49Å; I609-K613 PolarHBondContact O-N 3.13Å; H611-K613 PolarHBondContact O-N 3.27Å
614	V	56.6	Low	55	Low	73 Å²	73	83 Å²	83	44%	0.442	41%	0.407	S	S	.	.	H	α-helix	trans	-91.6	-32.9	171.7	-174.5	0	0	0	0	111.1	H611 K612 G617	H611-V614 WeakPolarHBondContact O-CA 3.48Å; H611-V614 WeakPolarHBondContact O-CB 3.37Å; H611-V614 WeakPolarHBondContact O-CG2 3.32Å; H611-V614 PolarHBondContact O-N 3.11Å; K612-V614 PolarHBondContact O-N 3.09Å; V614-G617 PolarHBondContact O-N 3.07Å
615	H	54	Low	55.1	Low	69 Å²	69	85.3 Å²	85.3	32%	0.319	42%	0.421	S	S	.	.	H	α-helix	trans	-72.4	-41.1	177.3	-60.1	-46.6	0	0	0	111.8	C595 E597 C598 H611 K612 G617	C595-H615 PolarHBondContact SG-NE2 3.1Å; E597-H615 HydrophobicContact CB-CB 4.47Å; E597-H615 IonicContact OE2-CD2 2.73Å; E597-H615 PolarHBondContact OE2-CD2 3.07Å; E597-H615 VanDerWaalsContact OE2-CD2 3.31Å; E597-H615 IonicContact OE2-CG 3.62Å; C598-H615 PolarHBondContact SG-CE1 2.83Å; C598-H615 PolarHBondContact SG-NE2 3.18Å; H611-H615 AromaticContact CD2-NE2 3.75Å; H611-H615 AromaticContact CE1-CE1 3.91Å; H611-H615 AromaticContact CE1-NE2 3.73Å; H611-H615 AromaticContact NE2-CE1 3.73Å; H611-H615 AromaticContact NE2-NE2 3.22Å; H611-H615 PolarHBondContact NE2-NE2 2.71Å; K612-H615 PolarHBondContact O-N 2.95Å; H615-G617 PolarHBondContact O-N 3.22Å
616	L	54.1	Low	55.4	Low	114 Å²	114	80.3 Å²	80.3	60%	0.597	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-2.3	172.5	-72.5	162.6	0	0	0	114.7	K612 E618	K612-L616 PolarHBondContact O-N 3.37Å; L616-E618 HydrophobicContact CB-CG 4.38Å; L616-E618 PolarHBondContact O-N 3.15Å
617	G	49.2	Very low	55.6	Low	50 Å²	50	79.1 Å²	79.1	52%	0.515	41%	0.41	S	S	.	.			trans	68.1	-17.1	178.3	0	0	0	0	0	115.8	V614 H615 K619	V614-G617 PolarHBondContact O-N 3.07Å; H615-G617 PolarHBondContact O-N 3.22Å; G617-K619 PolarHBondContact O-N 3.46Å
618	E	48.1	Very low	55.2	Low	103 Å²	103	82 Å²	82	48%	0.481	42%	0.417	S	S	.	.			trans	-53	127.6	-176.8	-69.5	-166.5	153.1	0	0	112.6	L616 P620	L616-E618 HydrophobicContact CB-CG 4.38Å; L616-E618 PolarHBondContact O-N 3.15Å; E618-P620 HydrophobicContact CB-CG 4.14Å
619	K	52.6	Low	55	Low	129 Å²	129	83.4 Å²	83.4	56%	0.561	43%	0.428	S	S	*	.			trans	-122	73.1	167.8	-64.3	160.5	-168.6	155.8	0	107.5	G617 Y621 S629 F630	G617-K619 PolarHBondContact O-N 3.46Å; K619-Y621 PolarHBondContact O-N 3.38Å; K619-S629 VanDerWaalsContact CB-CB 3.43Å; K619-F630 CarbonylContact C-O 3.58Å; K619-F630 VanDerWaalsContact C-O 3.29Å; K619-F630 WeakPolarHBondContact CA-O 3.37Å
620	P	55.8	Low	55.3	Low	69 Å²	69	82.1 Å²	82.1	45%	0.448	42%	0.42	S	S	.	.			trans	-64.3	-19.4	-165.3	-21.3	33.7	0	0	0	113.5	E618 K622	E618-P620 HydrophobicContact CB-CG 4.14Å; P620-K622 PolarHBondContact O-N 3.47Å
621	Y	58.2	Low	54.9	Low	87 Å²	87	82.1 Å²	82.1	34%	0.341	42%	0.42	S	S	.	.	B	Isolated β-bridge	trans	-100.6	74	-172.7	-50.3	-61.5	0	0	0	109.6	K619 F630 N631 Y632 T633	K619-Y621 PolarHBondContact O-N 3.38Å; Y621-F630 WeakPolarHBondContact CB-O 3.41Å; Y621-F630 WeakPolarHBondContact CD2-O 3.35Å; Y621-F630 PolarHBondContact N-O 2.85Å; Y621-F630 PolarHBondContact O-N 2.89Å; Y621-N631 WeakPolarHBondContact CE2-O 3.27Å; Y621-Y632 VanDerWaalsContact CD2-C 3.46Å; Y621-T633 HydrophobicContact CD1-CG2 3.5Å; Y621-T633 VanDerWaalsContact CD1-CG2 3.5Å; Y621-T633 HydrophobicContact CD2-CG2 4.21Å; Y621-T633 HydrophobicContact CE1-CG2 3.3Å; Y621-T633 HydrophobicContact CE2-CG2 4.02Å; Y621-T633 HydrophobicContact CG-CG2 3.96Å
622	K	49.3	Very low	54.8	Low	143 Å²	143	84.5 Å²	84.5	62%	0.622	43%	0.429	S	S	*	.			trans	-60.9	153.2	170.9	-58.5	-166.1	177.8	-179.2	0	110.7	P620 L636	P620-K622 PolarHBondContact O-N 3.47Å; K622-L636 WeakPolarHBondContact O-CD1 3.48Å; K622-L636 VanDerWaalsContact O-CD2 3.26Å; K622-L636 WeakPolarHBondContact O-CD2 3.29Å
623	C	61.9	Low	54.3	Low	0 Å²	0	85.2 Å²	85.2	0%	0	44%	0.438	C	S	.	.			trans	-109.9	102.8	174.7	-175.7	0	0	0	0	110.6	V625 C626 E627 K628 F630 L636 H639 H643	C623-V625 PolarHBondContact O-N 2.85Å; C623-C626 PolarHBondContact O-N 3.33Å; C623-E627 WeakPolarHBondContact O-CA 3.27Å; C623-E627 PolarHBondContact O-N 3.25Å; C623-K628 WeakPolarHBondContact CB-O 3.5Å; C623-K628 PolarHBondContact N-O 3.45Å; C623-F630 HydrophobicContact CB-CE2 4.37Å; C623-L636 HydrophobicContact CB-CD1 3.54Å; C623-H639 PolarHBondContact SG-CD2 2.87Å; C623-H643 PolarHBondContact SG-NE2 2.82Å; C623-H643 VanDerWaalsContact SG-NE2 3.37Å
624	D	57.8	Low	53.7	Low	125 Å²	125	84.5 Å²	84.5	67%	0.668	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-20.7	-176.8	1.8	-59.2	0	0	0	115.3	K640	D624-K640 IonicContact OD1-NZ 2.78Å; D624-K640 PolarHBondContact OD1-NZ 3.29Å; D624-K640 WeakPolarHBondContact OD2-CE 3.29Å; D624-K640 IonicContact OD2-NZ 3.26Å; D624-K640 PolarHBondContact OD2-NZ 2.96Å
625	V	57.9	Low	53.9	Low	98 Å²	98	84 Å²	84	59%	0.594	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-16.9	179.2	-175.8	0	0	0	0	114.2	C623 H643	C623-V625 PolarHBondContact O-N 2.85Å; V625-H643 HydrophobicContact CB-CB 4.47Å; V625-H643 HydrophobicContact CG1-CB 4.02Å
626	C	51.9	Low	54.2	Low	42 Å²	42	81.8 Å²	81.8	28%	0.284	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.8	26.9	178.8	81.1	0	0	0	0	115.6	C623 K628 H639 H643	C623-C626 PolarHBondContact O-N 3.33Å; C626-K628 PolarHBondContact O-N 3.31Å; C626-H639 PolarHBondContact SG-NE2 3.27Å; C626-H643 PolarHBondContact SG-CE1 3.5Å; C626-H643 PolarHBondContact SG-NE2 2.66Å; C626-H643 VanDerWaalsContact SG-NE2 3.41Å
627	E	53.7	Low	54.3	Low	171 Å²	171	79.6 Å²	79.6	80%	0.799	42%	0.424	S	S	*	.			trans	58.7	-4.1	174.7	-53	-169.1	134.5	0	0	117.6	C623 S629	C623-E627 WeakPolarHBondContact O-CA 3.27Å; C623-E627 PolarHBondContact O-N 3.25Å; E627-S629 PolarHBondContact O-N 3.05Å; E627-S629 VanDerWaalsContact O-N 3.09Å; E627-S629 PolarHBondContact O-OG 3.3Å; E627-S629 VanDerWaalsContact O-OG 3.08Å
628	K	46.5	Very low	54.7	Low	122 Å²	122	81 Å²	81	53%	0.53	42%	0.417	S	S	.	.			trans	-64.4	116.2	-178.7	-76	172.5	-171.4	142.5	0	110.3	C623 C626 F630	C623-K628 WeakPolarHBondContact CB-O 3.5Å; C623-K628 PolarHBondContact N-O 3.45Å; C626-K628 PolarHBondContact O-N 3.31Å; K628-F630 HydrophobicContact CB-CE2 3.77Å; K628-F630 HydrophobicContact CB-CZ 4.05Å; K628-F630 VanDerWaalsContact O-CD2 3.24Å; K628-F630 WeakPolarHBondContact O-CD2 3.13Å; K628-F630 WeakPolarHBondContact O-CE2 3.18Å
629	S	52.2	Low	55.5	Low	45 Å²	45	77.2 Å²	77.2	32%	0.315	40%	0.399	S	S	.	.			trans	-98.2	130.8	-174.3	-53.7	0	0	0	0	110.8	K619 E627	K619-S629 VanDerWaalsContact CB-CB 3.43Å; E627-S629 PolarHBondContact O-N 3.05Å; E627-S629 VanDerWaalsContact O-N 3.09Å; E627-S629 PolarHBondContact O-OG 3.3Å; E627-S629 VanDerWaalsContact O-OG 3.08Å
630	F	65.3	Low	55.8	Low	44 Å²	44	74.6 Å²	74.6	19%	0.193	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-116.1	150.4	-176.2	-62.3	-91.6	0	0	0	111.8	K619 Y621 C623 K628 L635 L636 H639	K619-F630 CarbonylContact C-O 3.58Å; K619-F630 VanDerWaalsContact C-O 3.29Å; K619-F630 WeakPolarHBondContact CA-O 3.37Å; Y621-F630 WeakPolarHBondContact CB-O 3.41Å; Y621-F630 WeakPolarHBondContact CD2-O 3.35Å; Y621-F630 PolarHBondContact N-O 2.85Å; Y621-F630 PolarHBondContact O-N 2.89Å; C623-F630 HydrophobicContact CB-CE2 4.37Å; K628-F630 HydrophobicContact CB-CE2 3.77Å; K628-F630 HydrophobicContact CB-CZ 4.05Å; K628-F630 VanDerWaalsContact O-CD2 3.24Å; K628-F630 WeakPolarHBondContact O-CD2 3.13Å; K628-F630 WeakPolarHBondContact O-CE2 3.18Å; F630-L635 HydrophobicContact CB-CB 4.33Å; F630-L635 HydrophobicContact CD1-CB 3.79Å; F630-L635 HydrophobicContact CG-CB 4.3Å; F630-L636 HydrophobicContact CB-CB 4.39Å; F630-L636 HydrophobicContact CD2-CB 4.2Å; F630-L636 HydrophobicContact CD2-CD1 4.04Å; F630-L636 HydrophobicContact CE2-CD1 4.38Å; F630-L636 HydrophobicContact CG-CB 4.48Å; F630-H639 HydrophobicContact CE1-CB 4.17Å; F630-H639 HydrophobicContact CE2-CB 3.79Å; F630-H639 AromaticContact CE2-CD2 3.25Å; F630-H639 WeakPolarHBondContact CE2-CD2 3.43Å; F630-H639 AromaticContact CE2-CG 3.54Å; F630-H639 HydrophobicContact CZ-CB 3.54Å; F630-H639 AromaticContact CZ-CD2 3.48Å; F630-H639 VanDerWaalsContact CZ-CD2 3.48Å; F630-H639 WeakPolarHBondContact CZ-CD2 3.26Å; F630-H639 AromaticContact CZ-CG 3.31Å; F630-H639 AromaticContact CZ-ND1 3.87Å
631	N	47.2	Very low	56.3	Low	58 Å²	58	74.8 Å²	74.8	31%	0.31	38%	0.38	S	S	.	.	S	Bend	trans	-78.9	-16	173.5	56.6	-10.9	0	0	0	113.5	Y621	Y621-N631 WeakPolarHBondContact CE2-O 3.27Å
632	Y	60.6	Low	56.3	Low	79 Å²	79	73.6 Å²	73.6	31%	0.31	38%	0.381	S	S	.	.			trans	-133.6	137.7	179.4	-52.1	-55.5	0	0	0	113.3	N610 Y621 S634 L635 L636	N610-Y632 HydrophobicContact CB-CE1 4.15Å; Y621-Y632 VanDerWaalsContact CD2-C 3.46Å; Y632-S634 PolarHBondContact O-N 2.85Å; Y632-L635 HydrophobicContact CD2-CD1 3.82Å; Y632-L635 HydrophobicContact CD2-CG 4.21Å; Y632-L635 PolarHBondContact O-N 2.86Å; Y632-L635 VanDerWaalsContact O-N 3.08Å; Y632-L636 PolarHBondContact O-N 2.85Å
633	T	46.1	Very low	56.6	Low	78 Å²	78	69.7 Å²	69.7	48%	0.479	37%	0.365	S	S	.	.	H	α-helix	trans	-56.6	-32	172.7	50.9	0	0	0	0	113.3	Y621 S637	Y621-T633 HydrophobicContact CD1-CG2 3.5Å; Y621-T633 VanDerWaalsContact CD1-CG2 3.5Å; Y621-T633 HydrophobicContact CD2-CG2 4.21Å; Y621-T633 HydrophobicContact CE1-CG2 3.3Å; Y621-T633 HydrophobicContact CE2-CG2 4.02Å; Y621-T633 HydrophobicContact CG-CG2 3.96Å; T633-S637 VanDerWaalsContact O-CB 3.29Å; T633-S637 WeakPolarHBondContact O-CB 3.23Å; T633-S637 PolarHBondContact O-N 3.27Å; T633-S637 PolarHBondContact O-OG 2.91Å
634	S	49.6	Very low	56	Low	75 Å²	75	73.5 Å²	73.5	52%	0.524	39%	0.388	S	S	.	.	H	α-helix	trans	-67.2	-38.9	176.4	51.3	0	0	0	0	112.3	Y632 S637 Q638	Y632-S634 PolarHBondContact O-N 2.85Å; S634-S637 PolarHBondContact O-N 2.92Å; S634-Q638 WeakPolarHBondContact O-CB 2.96Å; S634-Q638 PolarHBondContact O-N 3.29Å
635	L	59.4	Low	55.7	Low	64 Å²	64	77.6 Å²	77.6	34%	0.335	39%	0.394	S	S	.	.	H	α-helix	trans	-73	-39.5	175	-65.7	-175.3	0	0	0	111.5	F630 Y632 S637 Q638 H639	F630-L635 HydrophobicContact CB-CB 4.33Å; F630-L635 HydrophobicContact CD1-CB 3.79Å; F630-L635 HydrophobicContact CG-CB 4.3Å; Y632-L635 HydrophobicContact CD2-CD1 3.82Å; Y632-L635 HydrophobicContact CD2-CG 4.21Å; Y632-L635 PolarHBondContact O-N 2.86Å; Y632-L635 VanDerWaalsContact O-N 3.08Å; L635-S637 VanDerWaalsContact C-N 3.34Å; L635-S637 PolarHBondContact O-N 3.07Å; L635-Q638 PolarHBondContact O-N 3.35Å; L635-H639 WeakPolarHBondContact O-CB 3.44Å; L635-H639 PolarHBondContact O-N 3.05Å
636	L	59.9	Low	55.4	Low	21 Å²	21	78.1 Å²	78.1	11%	0.11	39%	0.39	C	S	.	.	H	α-helix	trans	-59.8	-44.9	170	176.4	61.8	0	0	0	111.1	K622 C623 F630 Y632 Q638 H639 K640	K622-L636 WeakPolarHBondContact O-CD1 3.48Å; K622-L636 VanDerWaalsContact O-CD2 3.26Å; K622-L636 WeakPolarHBondContact O-CD2 3.29Å; C623-L636 HydrophobicContact CB-CD1 3.54Å; F630-L636 HydrophobicContact CB-CB 4.39Å; F630-L636 HydrophobicContact CD2-CB 4.2Å; F630-L636 HydrophobicContact CD2-CD1 4.04Å; F630-L636 HydrophobicContact CE2-CD1 4.38Å; F630-L636 HydrophobicContact CG-CB 4.48Å; Y632-L636 PolarHBondContact O-N 2.85Å; L636-Q638 VanDerWaalsContact C-N 3.34Å; L636-Q638 PolarHBondContact O-N 3.45Å; L636-H639 CarbonylContact O-C 3.25Å; L636-H639 WeakPolarHBondContact O-CA 3.41Å; L636-H639 PolarHBondContact O-N 2.87Å; L636-K640 HydrophobicContact CD1-CG 4.13Å; L636-K640 HydrophobicContact CG-CG 4.47Å; L636-K640 PolarHBondContact O-N 2.94Å
637	S	58.2	Low	55.5	Low	69 Å²	69	81.6 Å²	81.6	48%	0.483	40%	0.401	S	S	.	.	H	α-helix	trans	-65.2	-35.6	178.7	-58.1	0	0	0	0	112.6	T633 S634 L635	T633-S637 VanDerWaalsContact O-CB 3.29Å; T633-S637 WeakPolarHBondContact O-CB 3.23Å; T633-S637 PolarHBondContact O-N 3.27Å; T633-S637 PolarHBondContact O-OG 2.91Å; S634-S637 PolarHBondContact O-N 2.92Å; L635-S637 VanDerWaalsContact C-N 3.34Å; L635-S637 PolarHBondContact O-N 3.07Å
638	Q	57.6	Low	55.8	Low	78 Å²	78	76.9 Å²	76.9	36%	0.364	39%	0.385	S	S	.	.	H	α-helix	trans	-69.4	-35.2	171.1	-174.9	-172.5	-13.6	0	0	111.4	S634 L635 L636 N660	S634-Q638 WeakPolarHBondContact O-CB 2.96Å; S634-Q638 PolarHBondContact O-N 3.29Å; L635-Q638 PolarHBondContact O-N 3.35Å; L636-Q638 VanDerWaalsContact C-N 3.34Å; L636-Q638 PolarHBondContact O-N 3.45Å; Q638-N660 PolarHBondContact NE2-ND2 2.59Å; Q638-N660 PolarHBondContact NE2-OD1 2.89Å; Q638-N660 VanDerWaalsContact NE2-OD1 3.16Å
639	H	64.4	Low	56.4	Low	25 Å²	25	74.2 Å²	74.2	12%	0.116	37%	0.372	C	S	.	.	H	α-helix	trans	-74.9	-35.7	-179.7	177.9	58.3	0	0	0	113.2	C623 C626 F630 L635 L636 R641 V642 H643	C623-H639 PolarHBondContact SG-CD2 2.87Å; C626-H639 PolarHBondContact SG-NE2 3.27Å; F630-H639 HydrophobicContact CE1-CB 4.17Å; F630-H639 HydrophobicContact CE2-CB 3.79Å; F630-H639 AromaticContact CE2-CD2 3.25Å; F630-H639 WeakPolarHBondContact CE2-CD2 3.43Å; F630-H639 AromaticContact CE2-CG 3.54Å; F630-H639 HydrophobicContact CZ-CB 3.54Å; F630-H639 AromaticContact CZ-CD2 3.48Å; F630-H639 VanDerWaalsContact CZ-CD2 3.48Å; F630-H639 WeakPolarHBondContact CZ-CD2 3.26Å; F630-H639 AromaticContact CZ-CG 3.31Å; F630-H639 AromaticContact CZ-ND1 3.87Å; L635-H639 WeakPolarHBondContact O-CB 3.44Å; L635-H639 PolarHBondContact O-N 3.05Å; L636-H639 CarbonylContact O-C 3.25Å; L636-H639 WeakPolarHBondContact O-CA 3.41Å; L636-H639 PolarHBondContact O-N 2.87Å; H639-R641 PolarHBondContact O-N 2.67Å; H639-V642 WeakPolarHBondContact O-CA 3.32Å; H639-V642 WeakPolarHBondContact O-CB 3.48Å; H639-V642 WeakPolarHBondContact O-CG2 3.35Å; H639-V642 PolarHBondContact O-N 2.88Å; H639-H643 AromaticContact CD2-NE2 3.84Å; H639-H643 AromaticContact CE1-CE1 3.92Å; H639-H643 AromaticContact CE1-NE2 3.61Å; H639-H643 AromaticContact NE2-CE1 3.82Å; H639-H643 AromaticContact NE2-NE2 3.16Å; H639-H643 PolarHBondContact NE2-NE2 3.33Å; H639-H643 VanDerWaalsContact NE2-NE2 3.16Å
640	K	58.9	Low	56.5	Low	74 Å²	74	77.9 Å²	77.9	32%	0.322	38%	0.384	S	S	.	.	H	α-helix	trans	-59.1	-28.5	174.2	-70.3	-165.4	-179	-165.5	0	112.2	D624 L636 V642 H643 T644	D624-K640 IonicContact OD1-NZ 2.78Å; D624-K640 PolarHBondContact OD1-NZ 3.29Å; D624-K640 WeakPolarHBondContact OD2-CE 3.29Å; D624-K640 IonicContact OD2-NZ 3.26Å; D624-K640 PolarHBondContact OD2-NZ 2.96Å; L636-K640 HydrophobicContact CD1-CG 4.13Å; L636-K640 HydrophobicContact CG-CG 4.47Å; L636-K640 PolarHBondContact O-N 2.94Å; K640-V642 PolarHBondContact O-N 3.29Å; K640-H643 WeakPolarHBondContact O-CB 3.15Å; K640-H643 PolarHBondContact O-N 2.98Å; K640-T644 PolarHBondContact O-N 3.04Å; K640-T644 VanDerWaalsContact O-N 3.09Å
641	R	66.3	Low	56.4	Low	73 Å²	73	75.9 Å²	75.9	28%	0.275	38%	0.376	S	S	.	.	H	α-helix	trans	-68.9	-5.4	169.5	-58.1	178.8	-173.6	159.1	4.7	115.4	H639 T644 R659	H639-R641 PolarHBondContact O-N 2.67Å; R641-T644 WeakPolarHBondContact CA-OG1 3.38Å; R641-R659 PolarHBondContact NH1-O 3.21Å
642	V	57.7	Low	57.1	Low	62 Å²	62	79.3 Å²	79.3	38%	0.376	39%	0.394	S	S	.	.	H	α-helix	trans	-78	-33.8	167.1	-176.8	0	0	0	0	109.8	H639 K640	H639-V642 WeakPolarHBondContact O-CA 3.32Å; H639-V642 WeakPolarHBondContact O-CB 3.48Å; H639-V642 WeakPolarHBondContact O-CG2 3.35Å; H639-V642 PolarHBondContact O-N 2.88Å; K640-V642 PolarHBondContact O-N 3.29Å
643	H	54.7	Low	57	Low	61 Å²	61	84.5 Å²	84.5	28%	0.282	41%	0.413	S	S	.	.	H	α-helix	trans	-84.5	-46.6	-178.1	-54.9	-46.5	0	0	0	112.3	C623 V625 C626 H639 K640 R645	C623-H643 PolarHBondContact SG-NE2 2.82Å; C623-H643 VanDerWaalsContact SG-NE2 3.37Å; V625-H643 HydrophobicContact CB-CB 4.47Å; V625-H643 HydrophobicContact CG1-CB 4.02Å; C626-H643 PolarHBondContact SG-CE1 3.5Å; C626-H643 PolarHBondContact SG-NE2 2.66Å; C626-H643 VanDerWaalsContact SG-NE2 3.41Å; H639-H643 AromaticContact CD2-NE2 3.84Å; H639-H643 AromaticContact CE1-CE1 3.92Å; H639-H643 AromaticContact CE1-NE2 3.61Å; H639-H643 AromaticContact NE2-CE1 3.82Å; H639-H643 AromaticContact NE2-NE2 3.16Å; H639-H643 PolarHBondContact NE2-NE2 3.33Å; H639-H643 VanDerWaalsContact NE2-NE2 3.16Å; K640-H643 WeakPolarHBondContact O-CB 3.15Å; K640-H643 PolarHBondContact O-N 2.98Å; H643-R645 PolarHBondContact O-N 3.3Å
644	T	50.3	Low	57.7	Low	79 Å²	79	82.6 Å²	82.6	49%	0.485	40%	0.403	S	S	.	.	S	Bend	trans	-68.4	-5.1	177.7	62.6	0	0	0	0	113.9	K640 R641 E646	K640-T644 PolarHBondContact O-N 3.04Å; K640-T644 VanDerWaalsContact O-N 3.09Å; R641-T644 WeakPolarHBondContact CA-OG1 3.38Å; T644-E646 VanDerWaalsContact CB-OE2 3.29Å; T644-E646 WeakPolarHBondContact CB-OE2 3.29Å; T644-E646 PolarHBondContact O-N 3.23Å; T644-E646 WeakPolarHBondContact OG1-CG 3.19Å; T644-E646 PolarHBondContact OG1-OE2 2.98Å
645	R	51.4	Low	57.9	Low	211 Å²	211	87.4 Å²	87.4	80%	0.796	42%	0.417	S	S	*	.			trans	56.8	-9.9	-171.4	-68.2	-173.4	172.9	-166.2	1.3	116.5	H643	H643-R645 PolarHBondContact O-N 3.3Å
646	E	52.1	Low	57.3	Low	109 Å²	109	90.8 Å²	90.8	51%	0.509	43%	0.429	S	S	.	.			trans	-50.4	137.6	-178.5	-64.1	168.3	121.9	0	0	113.3	T644 P648	T644-E646 VanDerWaalsContact CB-OE2 3.29Å; T644-E646 WeakPolarHBondContact CB-OE2 3.29Å; T644-E646 PolarHBondContact O-N 3.23Å; T644-E646 WeakPolarHBondContact OG1-CG 3.19Å; T644-E646 PolarHBondContact OG1-OE2 2.98Å; E646-P648 HydrophobicContact CB-CG 4.41Å
647	K	54.1	Low	57.1	Low	115 Å²	115	92 Å²	92	50%	0.5	44%	0.437	S	S	.	.			trans	-125.9	82.8	174.9	-60.7	169.8	-174.6	174.4	0	108.5	Y649 V657 F658	K647-Y649 PolarHBondContact O-N 3.34Å; K647-V657 HydrophobicContact CB-CB 3.76Å; K647-V657 HydrophobicContact CB-CG1 3.56Å; K647-V657 HydrophobicContact CD-CB 3.8Å; K647-V657 WeakPolarHBondContact CD-O 3.34Å; K647-V657 HydrophobicContact CG-CB 4.46Å; K647-V657 WeakPolarHBondContact O-CG1 3.21Å; K647-F658 CarbonylContact C-O 3.36Å; K647-F658 VanDerWaalsContact C-O 3.24Å; K647-F658 WeakPolarHBondContact CA-O 3.49Å
648	P	59.5	Low	57.4	Low	72 Å²	72	91 Å²	91	47%	0.468	42%	0.424	S	S	.	.			trans	-76.5	16.2	-169.7	-18.3	33.8	0	0	0	115.8	E646	E646-P648 HydrophobicContact CB-CG 4.41Å
649	Y	59.4	Low	57.3	Low	66 Å²	66	92.6 Å²	92.6	26%	0.259	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	80	-171.6	-60.4	-82.2	0	0	0	110.2	K647 F658 N661	K647-Y649 PolarHBondContact O-N 3.34Å; Y649-F658 WeakPolarHBondContact CB-O 3.49Å; Y649-F658 PolarHBondContact N-O 3.28Å; Y649-F658 WeakPolarHBondContact O-CB 3.41Å; Y649-F658 PolarHBondContact O-N 2.9Å; Y649-N661 HydrophobicContact CD1-CB 3.79Å; Y649-N661 HydrophobicContact CE1-CB 3.58Å
650	E	53.5	Low	57.3	Low	122 Å²	122	93.3 Å²	93.3	57%	0.57	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	159.7	175	-169	157	-158.8	0	0	112.6	V657 L664	E650-V657 HydrophobicContact CB-CG1 3.95Å; E650-V657 HydrophobicContact CG-CG1 4.43Å; E650-L664 WeakPolarHBondContact O-CD1 3.5Å; E650-L664 WeakPolarHBondContact O-CD2 3.43Å
651	C	63.9	Low	57.4	Low	3 Å²	3	93.4 Å²	93.4	2%	0.02	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	106.7	173.1	-172.4	0	0	0	0	110	R653 C654 L664 H667 H671	C651-R653 PolarHBondContact O-N 2.84Å; C651-C654 WeakPolarHBondContact CB-O 3.41Å; C651-C654 CarbonylContact O-C 3.58Å; C651-C654 PolarHBondContact O-N 3.35Å; C651-L664 HydrophobicContact CB-CD1 3.65Å; C651-H667 VanDerWaalsContact SG-CD2 3.53Å; C651-H671 VanDerWaalsContact SG-CD2 3.57Å; C651-H671 PolarHBondContact SG-NE2 3.22Å
652	D	61.6	Low	57.2	Low	130 Å²	130	94.1 Å²	94.1	70%	0.695	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	14.9	176	25.3	-72.1	0	0	0	116.3	K668	D652-K668 IonicContact OD1-NZ 3.87Å; D652-K668 PolarHBondContact OD1-NZ 3.18Å; D652-K668 IonicContact OD2-NZ 3.3Å; D652-K668 PolarHBondContact OD2-NZ 3.09Å
653	R	57.5	Low	57.7	Low	187 Å²	187	93.9 Å²	93.9	71%	0.706	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.2	-4.1	168.5	-63.1	-175.9	73.1	94.6	-5.2	114.6	C651	C651-R653 PolarHBondContact O-N 2.84Å
654	C	61.2	Low	58.5	Low	39 Å²	39	91.7 Å²	91.7	26%	0.264	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.1	151.5	166.4	68.6	0	0	0	0	111.6	C651 K656 H667 H671	C651-C654 WeakPolarHBondContact CB-O 3.41Å; C651-C654 CarbonylContact O-C 3.58Å; C651-C654 PolarHBondContact O-N 3.35Å; C654-K656 PolarHBondContact O-N 3.48Å; C654-H667 PolarHBondContact SG-NE2 2.92Å; C654-H671 PolarHBondContact SG-CE1 2.77Å; C654-H671 PolarHBondContact SG-NE2 3.28Å
655	E	53.5	Low	59.2	Low	176 Å²	176	94.5 Å²	94.5	82%	0.822	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.2	8.6	-178.7	-58.5	166	-168.1	0	0	116.9	V657	E655-V657 VanDerWaalsContact O-CG2 3.29Å; E655-V657 WeakPolarHBondContact O-CG2 3.25Å; E655-V657 PolarHBondContact O-N 3.5Å; E655-V657 VanDerWaalsContact O-N 3.11Å
656	K	46.9	Very low	59.8	Low	134 Å²	134	87.1 Å²	87.1	58%	0.583	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	102.5	174.4	-70.1	172.9	-176.9	161.1	0	109.4	C654 F658	C654-K656 PolarHBondContact O-N 3.48Å; K656-F658 HydrophobicContact CB-CE2 3.86Å; K656-F658 HydrophobicContact CB-CZ 4.09Å; K656-F658 VanDerWaalsContact O-CD2 3.23Å; K656-F658 WeakPolarHBondContact O-CD2 3.37Å; K656-F658 WeakPolarHBondContact O-CE2 3.26Å
657	V	56.6	Low	60.8	Low	47 Å²	47	82.7 Å²	82.7	29%	0.285	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	140.1	178.5	-146.5	0	0	0	0	111.6	K647 E650 E655	K647-V657 HydrophobicContact CB-CB 3.76Å; K647-V657 HydrophobicContact CB-CG1 3.56Å; K647-V657 HydrophobicContact CD-CB 3.8Å; K647-V657 WeakPolarHBondContact CD-O 3.34Å; K647-V657 HydrophobicContact CG-CB 4.46Å; K647-V657 WeakPolarHBondContact O-CG1 3.21Å; E650-V657 HydrophobicContact CB-CG1 3.95Å; E650-V657 HydrophobicContact CG-CG1 4.43Å; E655-V657 VanDerWaalsContact O-CG2 3.29Å; E655-V657 WeakPolarHBondContact O-CG2 3.25Å; E655-V657 PolarHBondContact O-N 3.5Å; E655-V657 VanDerWaalsContact O-N 3.11Å
658	F	65.2	Low	61.3	Low	49 Å²	49	80.3 Å²	80.3	22%	0.215	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	154.7	-171.8	-64.4	-92.5	0	0	0	113.7	K647 Y649 K656 L664 H667	K647-F658 CarbonylContact C-O 3.36Å; K647-F658 VanDerWaalsContact C-O 3.24Å; K647-F658 WeakPolarHBondContact CA-O 3.49Å; Y649-F658 WeakPolarHBondContact CB-O 3.49Å; Y649-F658 PolarHBondContact N-O 3.28Å; Y649-F658 WeakPolarHBondContact O-CB 3.41Å; Y649-F658 PolarHBondContact O-N 2.9Å; K656-F658 HydrophobicContact CB-CE2 3.86Å; K656-F658 HydrophobicContact CB-CZ 4.09Å; K656-F658 VanDerWaalsContact O-CD2 3.23Å; K656-F658 WeakPolarHBondContact O-CD2 3.37Å; K656-F658 WeakPolarHBondContact O-CE2 3.26Å; F658-L664 HydrophobicContact CB-CB 4.37Å; F658-L664 HydrophobicContact CD2-CB 4.3Å; F658-L664 HydrophobicContact CD2-CD1 3.89Å; F658-L664 HydrophobicContact CE2-CD1 4.28Å; F658-L664 HydrophobicContact CG-CB 4.44Å; F658-H667 HydrophobicContact CE1-CB 4.02Å; F658-H667 HydrophobicContact CE2-CB 3.79Å; F658-H667 AromaticContact CE2-CD2 3.2Å; F658-H667 WeakPolarHBondContact CE2-CD2 3.26Å; F658-H667 AromaticContact CE2-CG 3.5Å; F658-H667 VanDerWaalsContact CE2-CG 3.5Å; F658-H667 AromaticContact CE2-NE2 3.95Å; F658-H667 HydrophobicContact CZ-CB 3.44Å; F658-H667 VanDerWaalsContact CZ-CB 3.44Å; F658-H667 AromaticContact CZ-CD2 3.47Å; F658-H667 VanDerWaalsContact CZ-CD2 3.47Å; F658-H667 WeakPolarHBondContact CZ-CD2 3.46Å; F658-H667 AromaticContact CZ-CG 3.25Å; F658-H667 AromaticContact CZ-ND1 3.86Å
659	R	54.3	Low	62.1	Low	110 Å²	110	79.5 Å²	79.5	42%	0.415	38%	0.384	S	S	.	.	S	Bend	trans	-81	-21	175.4	-70.4	177	169.5	151.5	-3	114	R641	R641-R659 PolarHBondContact NH1-O 3.21Å
660	N	64.9	Low	62.3	Low	40 Å²	40	81.5 Å²	81.5	21%	0.214	40%	0.397	C	S	.	.			trans	-137.5	134.4	-170.1	-75.4	57.1	0	0	0	111.6	Q638 S662 S663 L664	Q638-N660 PolarHBondContact NE2-ND2 2.59Å; Q638-N660 PolarHBondContact NE2-OD1 2.89Å; Q638-N660 VanDerWaalsContact NE2-OD1 3.16Å; N660-S662 VanDerWaalsContact C-N 3.31Å; N660-S662 PolarHBondContact O-N 2.91Å; N660-S663 WeakPolarHBondContact O-CB 3.28Å; N660-S663 PolarHBondContact O-N 2.8Å; N660-S663 VanDerWaalsContact O-N 3.09Å; N660-L664 PolarHBondContact O-N 2.92Å; N660-L664 VanDerWaalsContact O-N 3.08Å
661	N	60.4	Low	63	Low	77 Å²	77	78.6 Å²	78.6	41%	0.412	38%	0.384	S	S	.	.	H	α-helix	trans	-54.9	-42.1	173.5	-166.5	-19.7	0	0	0	112.6	Y649 S663 L664 K665	Y649-N661 HydrophobicContact CD1-CB 3.79Å; Y649-N661 HydrophobicContact CE1-CB 3.58Å; N661-S663 VanDerWaalsContact C-N 3.27Å; N661-S663 PolarHBondContact O-N 2.98Å; N661-L664 WeakPolarHBondContact O-CB 3.43Å; N661-L664 PolarHBondContact O-N 3.06Å; N661-L664 VanDerWaalsContact O-N 3.14Å; N661-K665 PolarHBondContact O-N 3.17Å
662	S	62.6	Low	62.9	Low	87 Å²	87	82.3 Å²	82.3	61%	0.608	41%	0.407	S	S	*	.	H	α-helix	trans	-60.8	-35.4	178.1	-44.2	0	0	0	0	113	N660 V666	N660-S662 VanDerWaalsContact C-N 3.31Å; N660-S662 PolarHBondContact O-N 2.91Å; S662-V666 WeakPolarHBondContact O-CG2 3.44Å; S662-V666 PolarHBondContact O-N 3.11Å
663	S	68.6	Low	63.1	Low	57 Å²	57	78.5 Å²	78.5	40%	0.399	40%	0.398	S	S	.	.	H	α-helix	trans	-72.2	-40.6	175.3	-53.9	0	0	0	0	111.4	N660 N661 K665 V666 H667	N660-S663 WeakPolarHBondContact O-CB 3.28Å; N660-S663 PolarHBondContact O-N 2.8Å; N660-S663 VanDerWaalsContact O-N 3.09Å; N661-S663 VanDerWaalsContact C-N 3.27Å; N661-S663 PolarHBondContact O-N 2.98Å; S663-K665 VanDerWaalsContact C-N 3.34Å; S663-K665 PolarHBondContact O-N 2.58Å; S663-V666 PolarHBondContact O-N 3.44Å; S663-H667 WeakPolarHBondContact O-CB 3.47Å; S663-H667 PolarHBondContact O-N 2.65Å
664	L	70.4	Confident	63.6	Low	16 Å²	16	73.9 Å²	73.9	8%	0.084	38%	0.384	C	S	.	.	H	α-helix	trans	-60.1	-42.6	172.2	176.4	63.7	0	0	0	111.6	E650 C651 F658 N660 N661 H667 K668	E650-L664 WeakPolarHBondContact O-CD1 3.5Å; E650-L664 WeakPolarHBondContact O-CD2 3.43Å; C651-L664 HydrophobicContact CB-CD1 3.65Å; F658-L664 HydrophobicContact CB-CB 4.37Å; F658-L664 HydrophobicContact CD2-CB 4.3Å; F658-L664 HydrophobicContact CD2-CD1 3.89Å; F658-L664 HydrophobicContact CE2-CD1 4.28Å; F658-L664 HydrophobicContact CG-CB 4.44Å; N660-L664 PolarHBondContact O-N 2.92Å; N660-L664 VanDerWaalsContact O-N 3.08Å; N661-L664 WeakPolarHBondContact O-CB 3.43Å; N661-L664 PolarHBondContact O-N 3.06Å; N661-L664 VanDerWaalsContact O-N 3.14Å; L664-H667 CarbonylContact O-C 3.1Å; L664-H667 PolarHBondContact O-N 3.3Å; L664-H667 VanDerWaalsContact O-N 3.16Å; L664-K668 HydrophobicContact CD1-CD 4.45Å; L664-K668 HydrophobicContact CD1-CG 4.07Å; L664-K668 HydrophobicContact CG-CD 4.47Å; L664-K668 HydrophobicContact CG-CG 4.37Å; L664-K668 PolarHBondContact O-N 2.88Å
665	K	64.6	Low	64.2	Low	137 Å²	137	77.4 Å²	77.4	60%	0.596	40%	0.395	S	S	*	.	H	α-helix	trans	-62.7	-43.5	177.6	-74.7	-169.6	174.8	-163.3	0	112.9	N661 S663 H667 K668 R669	N661-K665 PolarHBondContact O-N 3.17Å; S663-K665 VanDerWaalsContact C-N 3.34Å; S663-K665 PolarHBondContact O-N 2.58Å; K665-H667 VanDerWaalsContact C-N 3.28Å; K665-H667 PolarHBondContact O-N 2.97Å; K665-K668 PolarHBondContact O-N 3Å; K665-R669 PolarHBondContact O-N 2.88Å
666	V	65.8	Low	65.2	Low	57 Å²	57	72.1 Å²	72.1	35%	0.345	38%	0.376	S	S	.	.	H	α-helix	trans	-65.9	-34	174	173.3	0	0	0	0	111.1	S662 S663 I687	S662-V666 WeakPolarHBondContact O-CG2 3.44Å; S662-V666 PolarHBondContact O-N 3.11Å; S663-V666 PolarHBondContact O-N 3.44Å; V666-I687 HydrophobicContact CG1-CG2 4.33Å; V666-I687 WeakPolarHBondContact O-CG2 3.19Å
667	H	71.4	Confident	66.4	Low	15 Å²	15	69.3 Å²	69.3	7%	0.069	36%	0.362	C	S	.	.	H	α-helix	trans	-71.1	-40.7	175.3	175	57.1	0	0	0	113.6	C651 C654 F658 S663 L664 K665 R669 I670 H671	C651-H667 VanDerWaalsContact SG-CD2 3.53Å; C654-H667 PolarHBondContact SG-NE2 2.92Å; F658-H667 HydrophobicContact CE1-CB 4.02Å; F658-H667 HydrophobicContact CE2-CB 3.79Å; F658-H667 AromaticContact CE2-CD2 3.2Å; F658-H667 WeakPolarHBondContact CE2-CD2 3.26Å; F658-H667 AromaticContact CE2-CG 3.5Å; F658-H667 VanDerWaalsContact CE2-CG 3.5Å; F658-H667 AromaticContact CE2-NE2 3.95Å; F658-H667 HydrophobicContact CZ-CB 3.44Å; F658-H667 VanDerWaalsContact CZ-CB 3.44Å; F658-H667 AromaticContact CZ-CD2 3.47Å; F658-H667 VanDerWaalsContact CZ-CD2 3.47Å; F658-H667 WeakPolarHBondContact CZ-CD2 3.46Å; F658-H667 AromaticContact CZ-CG 3.25Å; F658-H667 AromaticContact CZ-ND1 3.86Å; S663-H667 WeakPolarHBondContact O-CB 3.47Å; S663-H667 PolarHBondContact O-N 2.65Å; L664-H667 CarbonylContact O-C 3.1Å; L664-H667 PolarHBondContact O-N 3.3Å; L664-H667 VanDerWaalsContact O-N 3.16Å; K665-H667 VanDerWaalsContact C-N 3.28Å; K665-H667 PolarHBondContact O-N 2.97Å; H667-R669 PolarHBondContact O-N 3.44Å; H667-I670 VanDerWaalsContact O-CB 3.24Å; H667-I670 WeakPolarHBondContact O-CB 3.42Å; H667-I670 WeakPolarHBondContact O-CG1 3.31Å; H667-I670 PolarHBondContact O-N 2.87Å; H667-H671 AromaticContact CD2-NE2 3.96Å; H667-H671 AromaticContact CE1-NE2 3.36Å; H667-H671 PolarHBondContact CE1-NE2 2.7Å; H667-H671 AromaticContact NE2-CD2 3.78Å; H667-H671 AromaticContact NE2-NE2 3.06Å; H667-H671 PolarHBondContact NE2-NE2 3.07Å
668	K	65.7	Low	66.9	Low	66 Å²	66	73.1 Å²	73.1	29%	0.287	38%	0.377	S	S	.	.	H	α-helix	trans	-59.6	-30.7	178.6	-76.5	-165.6	178.1	-167.7	0	112.4	D652 L664 K665 I670 H671 T672	D652-K668 IonicContact OD1-NZ 3.87Å; D652-K668 PolarHBondContact OD1-NZ 3.18Å; D652-K668 IonicContact OD2-NZ 3.3Å; D652-K668 PolarHBondContact OD2-NZ 3.09Å; L664-K668 HydrophobicContact CD1-CD 4.45Å; L664-K668 HydrophobicContact CD1-CG 4.07Å; L664-K668 HydrophobicContact CG-CD 4.47Å; L664-K668 HydrophobicContact CG-CG 4.37Å; L664-K668 PolarHBondContact O-N 2.88Å; K665-K668 PolarHBondContact O-N 3Å; K668-I670 PolarHBondContact O-N 3.33Å; K668-H671 WeakPolarHBondContact O-CA 3.4Å; K668-H671 WeakPolarHBondContact O-CB 3.11Å; K668-H671 PolarHBondContact O-N 3.1Å; K668-T672 PolarHBondContact O-N 3.08Å; K668-T672 VanDerWaalsContact O-N 3.17Å
669	R	75.7	Confident	67.5	Low	55 Å²	55	70.9 Å²	70.9	21%	0.208	37%	0.367	C	S	.	.	H	α-helix	trans	-66.8	-17.5	171.5	-66.9	-175.7	173.5	156.9	-1	115.6	K665 H667 H671 T672 G673 E674 Y677 I687	K665-R669 PolarHBondContact O-N 2.88Å; H667-R669 PolarHBondContact O-N 3.44Å; R669-H671 VanDerWaalsContact C-N 3.26Å; R669-T672 WeakPolarHBondContact CA-OG1 3.36Å; R669-G673 CarbonylContact O-C 3.57Å; R669-G673 WeakPolarHBondContact O-CA 3.45Å; R669-G673 PolarHBondContact O-N 3.42Å; R669-E674 HydrophobicContact CB-CB 4.04Å; R669-E674 HydrophobicContact CG-CB 3.84Å; R669-E674 IonicContact NE-OE2 3.25Å; R669-E674 PolarHBondContact NE-OE2 3.26Å; R669-E674 PolarHBondContact O-N 3.13Å; R669-Y677 VanDerWaalsContact NH1-CE2 3.28Å; R669-I687 HydrophobicContact CB-CG2 3.51Å; R669-I687 PolarHBondContact NH1-O 3.37Å
670	I	63.8	Low	68.3	Low	107 Å²	107	71.8 Å²	71.8	55%	0.549	38%	0.38	S	S	.	.	H	α-helix	trans	-70.1	-30.5	169.5	-53.7	179.4	0	0	0	109.8	H667 K668 I687	H667-I670 VanDerWaalsContact O-CB 3.24Å; H667-I670 WeakPolarHBondContact O-CB 3.42Å; H667-I670 WeakPolarHBondContact O-CG1 3.31Å; H667-I670 PolarHBondContact O-N 2.87Å; K668-I670 PolarHBondContact O-N 3.33Å; I670-I687 HydrophobicContact CG1-CD1 4.14Å; I670-I687 HydrophobicContact CG1-CG2 4.48Å
671	H	67.4	Low	68.4	Low	62 Å²	62	73.2 Å²	73.2	29%	0.287	39%	0.39	S	S	.	.	H	α-helix	trans	-84.5	-26.8	176.4	-60.5	-72.1	0	0	0	113.9	C651 C654 H667 K668 R669	C651-H671 VanDerWaalsContact SG-CD2 3.57Å; C651-H671 PolarHBondContact SG-NE2 3.22Å; C654-H671 PolarHBondContact SG-CE1 2.77Å; C654-H671 PolarHBondContact SG-NE2 3.28Å; H667-H671 AromaticContact CD2-NE2 3.96Å; H667-H671 AromaticContact CE1-NE2 3.36Å; H667-H671 PolarHBondContact CE1-NE2 2.7Å; H667-H671 AromaticContact NE2-CD2 3.78Å; H667-H671 AromaticContact NE2-NE2 3.06Å; H667-H671 PolarHBondContact NE2-NE2 3.07Å; K668-H671 WeakPolarHBondContact O-CA 3.4Å; K668-H671 WeakPolarHBondContact O-CB 3.11Å; K668-H671 PolarHBondContact O-N 3.1Å; R669-H671 VanDerWaalsContact C-N 3.26Å
672	T	63.3	Low	69.1	Low	81 Å²	81	71.9 Å²	71.9	50%	0.497	39%	0.386	S	S	.	.	H	α-helix	trans	-95.6	-4.4	176.6	62.7	0	0	0	0	113.7	K668 R669 E674	K668-T672 PolarHBondContact O-N 3.08Å; K668-T672 VanDerWaalsContact O-N 3.17Å; R669-T672 WeakPolarHBondContact CA-OG1 3.36Å; T672-E674 WeakPolarHBondContact CB-OE1 3.11Å; T672-E674 PolarHBondContact O-N 3.21Å; T672-E674 VanDerWaalsContact O-N 3.07Å; T672-E674 VanDerWaalsContact OG1-CD 3.28Å; T672-E674 WeakPolarHBondContact OG1-CG 3.39Å; T672-E674 PolarHBondContact OG1-OE1 3.25Å
673	G	65.1	Low	69.5	Low	49 Å²	49	70.5 Å²	70.5	51%	0.505	39%	0.386	S	S	.	.			trans	71.3	-8	-177.2	0	0	0	0	0	115.3	R669 K675	R669-G673 CarbonylContact O-C 3.57Å; R669-G673 WeakPolarHBondContact O-CA 3.45Å; R669-G673 PolarHBondContact O-N 3.42Å; G673-K675 PolarHBondContact O-N 2.78Å
674	E	67.9	Low	69.7	Low	90 Å²	90	73.5 Å²	73.5	42%	0.421	39%	0.392	S	S	.	.			trans	-50.7	125.9	-178.6	-81.6	169.3	-118.4	0	0	113.2	R669 T672 P676	R669-E674 HydrophobicContact CB-CB 4.04Å; R669-E674 HydrophobicContact CG-CB 3.84Å; R669-E674 IonicContact NE-OE2 3.25Å; R669-E674 PolarHBondContact NE-OE2 3.26Å; R669-E674 PolarHBondContact O-N 3.13Å; T672-E674 WeakPolarHBondContact CB-OE1 3.11Å; T672-E674 PolarHBondContact O-N 3.21Å; T672-E674 VanDerWaalsContact O-N 3.07Å; T672-E674 VanDerWaalsContact OG1-CD 3.28Å; T672-E674 WeakPolarHBondContact OG1-CG 3.39Å; T672-E674 PolarHBondContact OG1-OE1 3.25Å; E674-P676 HydrophobicContact CB-CG 4.1Å
675	K	75	Confident	70	Confident	114 Å²	114	74.4 Å²	74.4	50%	0.496	40%	0.402	S	S	.	.			trans	-124.3	61.9	175.6	-71.4	163.6	179.2	175.3	0	112.4	G673 Y677 A685 Y686 I687	G673-K675 PolarHBondContact O-N 2.78Å; K675-Y677 PolarHBondContact O-N 3.44Å; K675-A685 HydrophobicContact CB-CB 3.58Å; K675-A685 HydrophobicContact CD-CB 4.1Å; K675-A685 WeakPolarHBondContact CD-O 3.42Å; K675-A685 HydrophobicContact CG-CB 4.43Å; K675-Y686 CarbonylContact C-O 3.59Å; K675-Y686 VanDerWaalsContact CA-O 3.32Å; K675-Y686 WeakPolarHBondContact CA-O 3.01Å; K675-I687 HydrophobicContact CG-CG1 3.9Å
676	P	72.9	Confident	70.6	Confident	65 Å²	65	70.7 Å²	70.7	42%	0.422	38%	0.384	S	S	.	.			trans	-77.1	24	-164.2	-14.8	34.3	0	0	0	115.3	E674	E674-P676 HydrophobicContact CB-CG 4.1Å
677	Y	73.3	Confident	70.9	Confident	75 Å²	75	70.1 Å²	70.1	29%	0.294	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	85.1	-177.8	-57.5	-67.3	0	0	0	109	R669 K675 Y686 H689	R669-Y677 VanDerWaalsContact NH1-CE2 3.28Å; K675-Y677 PolarHBondContact O-N 3.44Å; Y677-Y686 WeakPolarHBondContact CB-O 3.4Å; Y677-Y686 WeakPolarHBondContact CD2-O 3.29Å; Y677-Y686 PolarHBondContact N-O 3.38Å; Y677-Y686 WeakPolarHBondContact O-CB 3.34Å; Y677-Y686 PolarHBondContact O-N 2.97Å; Y677-H689 HydrophobicContact CD1-CB 4.12Å; Y677-H689 HydrophobicContact CD2-CB 4.42Å; Y677-H689 HydrophobicContact CE1-CB 3.95Å; Y677-H689 HydrophobicContact CE2-CB 4.21Å; Y677-H689 VanDerWaalsContact CE2-N 3.3Å; Y677-H689 HydrophobicContact CG-CB 4.36Å
678	E	67.1	Low	71.1	Confident	127 Å²	127	70.2 Å²	70.2	59%	0.593	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	156.1	178.4	-77.6	157.9	-158.8	0	0	112.5	A685 L692	E678-A685 HydrophobicContact CG-CB 3.65Å; E678-L692 WeakPolarHBondContact O-CD1 3.41Å; E678-L692 VanDerWaalsContact O-CD2 3.25Å; E678-L692 WeakPolarHBondContact O-CD2 3.28Å
679	C	76.5	Confident	71.1	Confident	1 Å²	1	72 Å²	72	1%	0.007	39%	0.39	C	S	.	.			trans	-99	102.5	178.1	-163.2	0	0	0	0	110.6	V681 C682 G683 K684 L692	C679-V681 PolarHBondContact O-N 3.05Å; C679-C682 PolarHBondContact O-N 2.87Å; C679-G683 PolarHBondContact O-N 2.91Å; C679-K684 WeakPolarHBondContact CB-O 3.41Å; C679-K684 PolarHBondContact N-O 2.83Å; C679-L692 HydrophobicContact CB-CD1 3.73Å
680	D	71.6	Confident	70.6	Confident	129 Å²	129	73.1 Å²	73.1	69%	0.69	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	9.5	171.7	28.5	-73.6	0	0	0	116.2	K696	D680-K696 IonicContact OD1-NZ 2.69Å; D680-K696 PolarHBondContact OD1-NZ 2.99Å; D680-K696 IonicContact OD2-NZ 2.79Å; D680-K696 PolarHBondContact OD2-NZ 3.1Å
681	V	67.8	Low	71.1	Confident	70 Å²	70	70.3 Å²	70.3	42%	0.424	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-19.8	171.6	-176.7	0	0	0	0	112.8	C679 H699	C679-V681 PolarHBondContact O-N 3.05Å; V681-H699 HydrophobicContact CG1-CB 4.12Å
682	C	74.4	Confident	71.3	Confident	49 Å²	49	68 Å²	68	33%	0.331	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.7	16.6	-178.7	71.4	0	0	0	0	116.1	C679 K684 H695 H699	C679-C682 PolarHBondContact O-N 2.87Å; C682-K684 PolarHBondContact O-N 3.36Å; C682-H695 PolarHBondContact SG-NE2 3.49Å; C682-H699 WeakPolarHBondContact CB-NE2 3.35Å; C682-H699 PolarHBondContact SG-NE2 3.42Å
683	G	71.6	Confident	71.4	Confident	58 Å²	58	67.2 Å²	67.2	60%	0.598	38%	0.378	S	S	*	.			trans	69.1	-11.6	178.7	0	0	0	0	0	116.4	C679 A685	C679-G683 PolarHBondContact O-N 2.91Å; G683-A685 PolarHBondContact O-N 3.44Å
684	K	72.9	Confident	71.3	Confident	121 Å²	121	68.2 Å²	68.2	53%	0.526	37%	0.372	S	S	.	.			trans	-62.6	123.1	-173.5	-70.1	178.1	-177.7	173.8	0	111.9	C679 C682 Y686	C679-K684 WeakPolarHBondContact CB-O 3.41Å; C679-K684 PolarHBondContact N-O 2.83Å; C682-K684 PolarHBondContact O-N 3.36Å; K684-Y686 HydrophobicContact CB-CE2 3.68Å; K684-Y686 VanDerWaalsContact O-CD2 3.23Å; K684-Y686 WeakPolarHBondContact O-CD2 3.09Å; K684-Y686 WeakPolarHBondContact O-CE2 3.37Å
685	A	76	Confident	71.4	Confident	35 Å²	35	64.8 Å²	64.8	29%	0.289	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	135.9	-173.8	0	0	0	0	0	113	K675 E678 G683	K675-A685 HydrophobicContact CB-CB 3.58Å; K675-A685 HydrophobicContact CD-CB 4.1Å; K675-A685 WeakPolarHBondContact CD-O 3.42Å; K675-A685 HydrophobicContact CG-CB 4.43Å; E678-A685 HydrophobicContact CG-CB 3.65Å; G683-A685 PolarHBondContact O-N 3.44Å
686	Y	78.1	Confident	70.8	Confident	58 Å²	58	61.9 Å²	61.9	23%	0.227	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	145	-174.3	-67.2	-88.1	0	0	0	114.4	K675 Y677 K684 S688 L692 H695	K675-Y686 CarbonylContact C-O 3.59Å; K675-Y686 VanDerWaalsContact CA-O 3.32Å; K675-Y686 WeakPolarHBondContact CA-O 3.01Å; Y677-Y686 WeakPolarHBondContact CB-O 3.4Å; Y677-Y686 WeakPolarHBondContact CD2-O 3.29Å; Y677-Y686 PolarHBondContact N-O 3.38Å; Y677-Y686 WeakPolarHBondContact O-CB 3.34Å; Y677-Y686 PolarHBondContact O-N 2.97Å; K684-Y686 HydrophobicContact CB-CE2 3.68Å; K684-Y686 VanDerWaalsContact O-CD2 3.23Å; K684-Y686 WeakPolarHBondContact O-CD2 3.09Å; K684-Y686 WeakPolarHBondContact O-CE2 3.37Å; Y686-S688 VanDerWaalsContact C-N 3.31Å; Y686-S688 PolarHBondContact O-N 3.41Å; Y686-L692 HydrophobicContact CD2-CB 4.35Å; Y686-L692 HydrophobicContact CD2-CD1 3.83Å; Y686-L692 HydrophobicContact CE2-CD1 4.39Å; Y686-L692 HydrophobicContact CG-CB 4.44Å; Y686-H695 HydrophobicContact CE1-CB 4.05Å; Y686-H695 HydrophobicContact CE2-CB 3.85Å; Y686-H695 AromaticContact CE2-CD2 3.18Å; Y686-H695 WeakPolarHBondContact CE2-CD2 3.41Å; Y686-H695 AromaticContact CE2-CG 3.64Å; Y686-H695 AromaticContact CZ-CD2 3.49Å; Y686-H695 VanDerWaalsContact CZ-CD2 3.49Å; Y686-H695 AromaticContact CZ-CG 3.47Å; Y686-H695 VanDerWaalsContact CZ-CG 3.47Å; Y686-H695 PolarHBondContact OH-CD2 3.48Å; Y686-H695 VanDerWaalsContact OH-CD2 3.28Å; Y686-H695 PolarHBondContact OH-ND1 3.41Å
687	I	71.6	Confident	70.3	Confident	46 Å²	46	59.6 Å²	59.6	24%	0.236	33%	0.328	C	S	.	.	S	Bend	trans	-69.3	-28.4	-178.7	-54.4	-177.7	0	0	0	112.1	V666 R669 I670 K675	V666-I687 HydrophobicContact CG1-CG2 4.33Å; V666-I687 WeakPolarHBondContact O-CG2 3.19Å; R669-I687 HydrophobicContact CB-CG2 3.51Å; R669-I687 PolarHBondContact NH1-O 3.37Å; I670-I687 HydrophobicContact CG1-CD1 4.14Å; I670-I687 HydrophobicContact CG1-CG2 4.48Å; K675-I687 HydrophobicContact CG-CG1 3.9Å
688	S	76.1	Confident	69.7	Low	16 Å²	16	60.4 Å²	60.4	11%	0.112	34%	0.342	C	S	.	.	S	Bend	trans	-135.4	146.6	-178.8	95.8	0	0	0	0	113.2	Y686 S690 S691 L692	Y686-S688 VanDerWaalsContact C-N 3.31Å; Y686-S688 PolarHBondContact O-N 3.41Å; S688-S690 PolarHBondContact O-N 2.84Å; S688-S691 WeakPolarHBondContact O-CA 3.48Å; S688-S691 VanDerWaalsContact O-CB 3.3Å; S688-S691 WeakPolarHBondContact O-CB 3.35Å; S688-S691 PolarHBondContact O-N 3.09Å; S688-S691 PolarHBondContact OG-N 3.34Å; S688-S691 PolarHBondContact OG-OG 3.08Å; S688-L692 PolarHBondContact O-N 3Å
689	H	65.3	Low	69.5	Low	105 Å²	105	56.5 Å²	56.5	49%	0.486	32%	0.323	S	S	.	.	H	α-helix	trans	-60.6	-33.3	177.2	-174.6	-110.8	0	0	0	112.6	Y677 L692 I693	Y677-H689 HydrophobicContact CD1-CB 4.12Å; Y677-H689 HydrophobicContact CD2-CB 4.42Å; Y677-H689 HydrophobicContact CE1-CB 3.95Å; Y677-H689 HydrophobicContact CE2-CB 4.21Å; Y677-H689 VanDerWaalsContact CE2-N 3.3Å; Y677-H689 HydrophobicContact CG-CB 4.36Å; H689-L692 PolarHBondContact O-N 3.14Å; H689-I693 VanDerWaalsContact CE1-CD1 3.44Å; H689-I693 WeakPolarHBondContact CE1-CD1 3.13Å; H689-I693 WeakPolarHBondContact O-CG1 3.32Å; H689-I693 PolarHBondContact O-N 3.11Å
690	S	65.3	Low	68.5	Low	78 Å²	78	62.3 Å²	62.3	55%	0.545	36%	0.361	S	S	.	.	H	α-helix	trans	-67.8	-35.9	173	-57.2	0	0	0	0	112.1	S688 I693 N694	S688-S690 PolarHBondContact O-N 2.84Å; S690-I693 PolarHBondContact O-N 2.8Å; S690-N694 WeakPolarHBondContact O-CB 3.35Å; S690-N694 PolarHBondContact O-N 2.79Å; S690-N694 PolarHBondContact O-OD1 3.19Å
691	S	73.2	Confident	67.8	Low	48 Å²	48	59.9 Å²	59.9	34%	0.336	37%	0.366	S	S	.	.	H	α-helix	trans	-66.6	-41.1	173.4	-52.2	0	0	0	0	111.4	S688 N694 H695	S688-S691 WeakPolarHBondContact O-CA 3.48Å; S688-S691 VanDerWaalsContact O-CB 3.3Å; S688-S691 WeakPolarHBondContact O-CB 3.35Å; S688-S691 PolarHBondContact O-N 3.09Å; S688-S691 PolarHBondContact OG-N 3.34Å; S688-S691 PolarHBondContact OG-OG 3.08Å; S691-N694 PolarHBondContact O-N 2.92Å; S691-H695 PolarHBondContact O-N 3.43Å
692	L	72.2	Confident	67.1	Low	12 Å²	12	63.8 Å²	63.8	6%	0.063	38%	0.377	C	S	.	.	H	α-helix	trans	-62.1	-45.9	173.5	178	62.6	0	0	0	111.7	E678 C679 Y686 S688 H689 N694 H695 K696	E678-L692 WeakPolarHBondContact O-CD1 3.41Å; E678-L692 VanDerWaalsContact O-CD2 3.25Å; E678-L692 WeakPolarHBondContact O-CD2 3.28Å; C679-L692 HydrophobicContact CB-CD1 3.73Å; Y686-L692 HydrophobicContact CD2-CB 4.35Å; Y686-L692 HydrophobicContact CD2-CD1 3.83Å; Y686-L692 HydrophobicContact CE2-CD1 4.39Å; Y686-L692 HydrophobicContact CG-CB 4.44Å; S688-L692 PolarHBondContact O-N 3Å; H689-L692 PolarHBondContact O-N 3.14Å; L692-N694 PolarHBondContact O-N 2.97Å; L692-H695 CarbonylContact O-C 3.6Å; L692-H695 PolarHBondContact O-N 3.13Å; L692-H695 VanDerWaalsContact O-N 3.14Å; L692-K696 HydrophobicContact CD1-CD 4.42Å; L692-K696 HydrophobicContact CD1-CG 4.18Å; L692-K696 HydrophobicContact CG-CD 4.33Å; L692-K696 HydrophobicContact CG-CG 4.39Å; L692-K696 PolarHBondContact O-N 2.85Å
693	I	65.3	Low	66.1	Low	66 Å²	66	63.2 Å²	63.2	34%	0.338	37%	0.373	S	S	.	.	H	α-helix	trans	-60	-45.4	177.2	-78.6	169.1	0	0	0	111.4	H689 S690 H695 K696 S697 F715	H689-I693 VanDerWaalsContact CE1-CD1 3.44Å; H689-I693 WeakPolarHBondContact CE1-CD1 3.13Å; H689-I693 WeakPolarHBondContact O-CG1 3.32Å; H689-I693 PolarHBondContact O-N 3.11Å; S690-I693 PolarHBondContact O-N 2.8Å; I693-H695 PolarHBondContact O-N 3.14Å; I693-K696 PolarHBondContact O-N 2.7Å; I693-S697 PolarHBondContact O-N 3.19Å; I693-S697 VanDerWaalsContact O-N 3.13Å; I693-F715 HydrophobicContact CG2-CB 3.86Å
694	N	64.3	Low	65.4	Low	69 Å²	69	64.8 Å²	64.8	37%	0.369	37%	0.372	S	S	.	.	H	α-helix	trans	-62.4	-32.1	176.1	-70.1	17.1	0	0	0	112.4	S690 S691 L692 S697 F715	S690-N694 WeakPolarHBondContact O-CB 3.35Å; S690-N694 PolarHBondContact O-N 2.79Å; S690-N694 PolarHBondContact O-OD1 3.19Å; S691-N694 PolarHBondContact O-N 2.92Å; L692-N694 PolarHBondContact O-N 2.97Å; N694-S697 PolarHBondContact O-OG 2.85Å; N694-F715 HydrophobicContact CB-CD1 4.45Å; N694-F715 WeakPolarHBondContact OD1-CD1 3.35Å; N694-F715 VanDerWaalsContact OD1-CD2 3.27Å; N694-F715 WeakPolarHBondContact OD1-CD2 3.4Å; N694-F715 VanDerWaalsContact OD1-CG 3.26Å; N694-F715 WeakPolarHBondContact OD1-CG 3.49Å
695	H	69.1	Low	65	Low	19 Å²	19	62 Å²	62	9%	0.088	36%	0.361	C	S	.	.	H	α-helix	trans	-77.1	-38.7	173.5	172.1	47.7	0	0	0	112.6	C682 Y686 S691 L692 I693 S697 T698 H699	C682-H695 PolarHBondContact SG-NE2 3.49Å; Y686-H695 HydrophobicContact CE1-CB 4.05Å; Y686-H695 HydrophobicContact CE2-CB 3.85Å; Y686-H695 AromaticContact CE2-CD2 3.18Å; Y686-H695 WeakPolarHBondContact CE2-CD2 3.41Å; Y686-H695 AromaticContact CE2-CG 3.64Å; Y686-H695 AromaticContact CZ-CD2 3.49Å; Y686-H695 VanDerWaalsContact CZ-CD2 3.49Å; Y686-H695 AromaticContact CZ-CG 3.47Å; Y686-H695 VanDerWaalsContact CZ-CG 3.47Å; Y686-H695 PolarHBondContact OH-CD2 3.48Å; Y686-H695 VanDerWaalsContact OH-CD2 3.28Å; Y686-H695 PolarHBondContact OH-ND1 3.41Å; S691-H695 PolarHBondContact O-N 3.43Å; L692-H695 CarbonylContact O-C 3.6Å; L692-H695 PolarHBondContact O-N 3.13Å; L692-H695 VanDerWaalsContact O-N 3.14Å; I693-H695 PolarHBondContact O-N 3.14Å; H695-S697 PolarHBondContact O-N 3.39Å; H695-T698 PolarHBondContact ND1-OG1 3Å; H695-T698 WeakPolarHBondContact O-CA 3.12Å; H695-T698 WeakPolarHBondContact O-CB 3.35Å; H695-T698 PolarHBondContact O-N 2.88Å; H695-T698 PolarHBondContact O-OG1 3.47Å; H695-H699 AromaticContact CE1-NE2 3.76Å; H695-H699 AromaticContact NE2-NE2 3.96Å
696	K	63.3	Low	64.5	Low	52 Å²	52	63.3 Å²	63.3	23%	0.226	37%	0.367	C	S	.	.	H	α-helix	trans	-60.6	-27.4	174.8	-73.9	-171	-179.9	-171.9	0	112.2	D680 L692 I693 T698 H699	D680-K696 IonicContact OD1-NZ 2.69Å; D680-K696 PolarHBondContact OD1-NZ 2.99Å; D680-K696 IonicContact OD2-NZ 2.79Å; D680-K696 PolarHBondContact OD2-NZ 3.1Å; L692-K696 HydrophobicContact CD1-CD 4.42Å; L692-K696 HydrophobicContact CD1-CG 4.18Å; L692-K696 HydrophobicContact CG-CD 4.33Å; L692-K696 HydrophobicContact CG-CG 4.39Å; L692-K696 PolarHBondContact O-N 2.85Å; I693-K696 PolarHBondContact O-N 2.7Å; K696-T698 PolarHBondContact O-N 2.86Å; K696-H699 PolarHBondContact O-N 3.1Å
697	S	62.4	Low	64.2	Low	17 Å²	17	60.6 Å²	60.6	12%	0.119	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	0.4	168.5	54.5	0	0	0	0	116	I693 N694 H695	I693-S697 PolarHBondContact O-N 3.19Å; I693-S697 VanDerWaalsContact O-N 3.13Å; N694-S697 PolarHBondContact O-OG 2.85Å; H695-S697 PolarHBondContact O-N 3.39Å
698	T	60	Low	63.9	Low	93 Å²	93	64.2 Å²	64.2	57%	0.571	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-2.3	169.6	66.3	0	0	0	0	113.4	H695 K696	H695-T698 PolarHBondContact ND1-OG1 3Å; H695-T698 WeakPolarHBondContact O-CA 3.12Å; H695-T698 WeakPolarHBondContact O-CB 3.35Å; H695-T698 PolarHBondContact O-N 2.88Å; H695-T698 PolarHBondContact O-OG1 3.47Å; K696-T698 PolarHBondContact O-N 2.86Å
699	H	62.8	Low	63.3	Low	45 Å²	45	68.1 Å²	68.1	21%	0.208	39%	0.393	C	S	.	.	S	Bend	trans	-97	131.3	173.1	-64.8	-53.9	0	0	0	110.7	V681 C682 H695 K696	V681-H699 HydrophobicContact CG1-CB 4.12Å; C682-H699 WeakPolarHBondContact CB-NE2 3.35Å; C682-H699 PolarHBondContact SG-NE2 3.42Å; H695-H699 AromaticContact CE1-NE2 3.76Å; H695-H699 AromaticContact NE2-NE2 3.96Å; K696-H699 PolarHBondContact O-N 3.1Å
700	P	56.4	Low	63.3	Low	122 Å²	122	65.1 Å²	65.1	79%	0.792	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	146.9	174.1	26.6	-33.4	0	0	0	110.9	K702	P700-K702 PolarHBondContact O-N 3.33Å
701	G	55.9	Low	63.1	Low	78 Å²	78	64.5 Å²	64.5	80%	0.804	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	-9.2	172.8	0	0	0	0	0	117.5
702	K	53.2	Low	62.4	Low	152 Å²	152	67.8 Å²	67.8	66%	0.661	40%	0.397	S	S	*	.			trans	-129.8	41.2	178.1	-69.4	-175.5	179.3	172.6	0	113.8	P700	P700-K702 PolarHBondContact O-N 3.33Å
703	T	53	Low	61.8	Low	38 Å²	38	69 Å²	69	23%	0.233	41%	0.408	C	S	.	.			trans	-105.8	114.2	-175.7	53.1	0	0	0	0	111.8	H705 A713	T703-H705 VanDerWaalsContact C-N 3.28Å; T703-H705 PolarHBondContact O-N 3.45Å; T703-A713 HydrophobicContact CG2-CB 3.4Å
704	P	58.1	Low	61.8	Low	90 Å²	90	67.6 Å²	67.6	58%	0.584	40%	0.4	S	S	*	.	S	Bend	trans	-65.6	-22.2	-173.6	-25.9	35.8	0	0	0	116.1
705	H	64.2	Low	61.5	Low	62 Å²	62	68.1 Å²	68.1	29%	0.287	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	83.7	-174.6	-56.8	-65.2	0	0	0	111.7	T703 F714 S716 S717 L720	T703-H705 VanDerWaalsContact C-N 3.28Å; T703-H705 PolarHBondContact O-N 3.45Å; H705-F714 PolarHBondContact N-O 3.39Å; H705-F714 PolarHBondContact O-N 2.79Å; H705-S716 VanDerWaalsContact CD2-CA 3.49Å; H705-S716 WeakPolarHBondContact CD2-CA 3.34Å; H705-S717 PolarHBondContact CD2-N 3Å; H705-S717 PolarHBondContact NE2-N 2.78Å; H705-S717 VanDerWaalsContact NE2-N 3.15Å; H705-L720 HydrophobicContact CB-CB 4.25Å; H705-L720 HydrophobicContact CB-CD2 3.94Å
706	P	65.7	Low	60.9	Low	64 Å²	64	69.2 Å²	69.2	42%	0.416	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	162.7	167.7	30.8	-35.2	0	0	0	111.6	L720	P706-L720 WeakPolarHBondContact O-CD1 3.18Å; P706-L720 VanDerWaalsContact O-CD2 3.24Å; P706-L720 WeakPolarHBondContact O-CD2 3.36Å
707	C	70.1	Confident	60.5	Low	1 Å²	1	69.2 Å²	69.2	1%	0.007	42%	0.415	C	S	.	.			trans	-110.4	110.2	171.7	-168	0	0	0	0	110	E709 C710 G711 K712 F714 L720	C707-E709 PolarHBondContact O-N 3.31Å; C707-C710 PolarHBondContact O-N 3.2Å; C707-C710 VanDerWaalsContact O-N 3.1Å; C707-G711 WeakPolarHBondContact O-CA 3.45Å; C707-G711 PolarHBondContact O-N 2.96Å; C707-K712 VanDerWaalsContact CB-O 3.26Å; C707-K712 WeakPolarHBondContact CB-O 3.37Å; C707-K712 PolarHBondContact N-O 2.84Å; C707-F714 HydrophobicContact CB-CD2 4.35Å; C707-F714 HydrophobicContact CB-CE2 4.03Å; C707-L720 HydrophobicContact CB-CD1 3.46Å; C707-L720 VanDerWaalsContact CB-CD1 3.46Å
708	D	66.1	Low	60.2	Low	122 Å²	122	78.2 Å²	78.2	65%	0.652	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-33.7	-168.3	-34.6	-71.8	0	0	0	112.3	C710 K724	D708-C710 VanDerWaalsContact C-N 3.33Å; D708-C710 PolarHBondContact O-N 3.34Å; D708-K724 WeakPolarHBondContact OD2-CE 3.02Å; D708-K724 IonicContact OD2-NZ 3.94Å; D708-K724 PolarHBondContact OD2-NZ 3.31Å
709	E	63.1	Low	60.3	Low	98 Å²	98	75.6 Å²	75.6	46%	0.458	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-10	-178.9	-61.2	161.5	120.4	0	0	114.5	C707 H727	C707-E709 PolarHBondContact O-N 3.31Å; E709-H727 IonicContact OE2-CD2 2.63Å; E709-H727 PolarHBondContact OE2-CD2 3.46Å; E709-H727 IonicContact OE2-CG 2.65Å
710	C	66	Low	60.4	Low	42 Å²	42	74.5 Å²	74.5	28%	0.284	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.7	9.8	-176.8	71.6	0	0	0	0	116.8	C707 D708 K712 H723 H727	C707-C710 PolarHBondContact O-N 3.2Å; C707-C710 VanDerWaalsContact O-N 3.1Å; D708-C710 VanDerWaalsContact C-N 3.33Å; D708-C710 PolarHBondContact O-N 3.34Å; C710-K712 PolarHBondContact O-N 3.21Å; C710-H723 PolarHBondContact SG-NE2 3.46Å; C710-H727 WeakPolarHBondContact CB-NE2 3.26Å; C710-H727 PolarHBondContact SG-NE2 3.01Å
711	G	60.9	Low	60.8	Low	64 Å²	64	73 Å²	73	66%	0.66	41%	0.411	S	S	*	.			trans	67.7	-5.9	-179.3	0	0	0	0	0	116.2	C707 A713	C707-G711 WeakPolarHBondContact O-CA 3.45Å; C707-G711 PolarHBondContact O-N 2.96Å; G711-A713 PolarHBondContact O-N 3.41Å
712	K	59.3	Low	61	Low	117 Å²	117	70.4 Å²	70.4	51%	0.509	38%	0.38	S	S	.	.			trans	-71.3	124.3	-173.2	-70.6	171.7	-173	160.5	0	111.6	C707 C710 F714	C707-K712 VanDerWaalsContact CB-O 3.26Å; C707-K712 WeakPolarHBondContact CB-O 3.37Å; C707-K712 PolarHBondContact N-O 2.84Å; C710-K712 PolarHBondContact O-N 3.21Å; K712-F714 HydrophobicContact CB-CE2 3.77Å; K712-F714 HydrophobicContact CB-CZ 4.13Å; K712-F714 VanDerWaalsContact O-CD2 3.24Å; K712-F714 WeakPolarHBondContact O-CD2 3.27Å; K712-F714 WeakPolarHBondContact O-CE2 3.33Å
713	A	59	Low	61.8	Low	37 Å²	37	64.4 Å²	64.4	31%	0.306	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	139.5	179.8	0	0	0	0	0	113.2	T703 G711	T703-A713 HydrophobicContact CG2-CB 3.4Å; G711-A713 PolarHBondContact O-N 3.41Å
714	F	64.1	Low	62.3	Low	38 Å²	38	65.6 Å²	65.6	17%	0.167	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.3	176.4	-65.8	-86	0	0	0	112	H705 C707 K712 S716 L720 H723	H705-F714 PolarHBondContact N-O 3.39Å; H705-F714 PolarHBondContact O-N 2.79Å; C707-F714 HydrophobicContact CB-CD2 4.35Å; C707-F714 HydrophobicContact CB-CE2 4.03Å; K712-F714 HydrophobicContact CB-CE2 3.77Å; K712-F714 HydrophobicContact CB-CZ 4.13Å; K712-F714 VanDerWaalsContact O-CD2 3.24Å; K712-F714 WeakPolarHBondContact O-CD2 3.27Å; K712-F714 WeakPolarHBondContact O-CE2 3.33Å; F714-S716 VanDerWaalsContact C-N 3.27Å; F714-S716 PolarHBondContact O-N 3.45Å; F714-L720 HydrophobicContact CB-CB 4.14Å; F714-L720 HydrophobicContact CD2-CB 4.32Å; F714-L720 HydrophobicContact CD2-CD1 3.87Å; F714-L720 HydrophobicContact CE2-CD1 4.38Å; F714-L720 HydrophobicContact CG-CB 4.33Å; F714-H723 HydrophobicContact CE1-CB 3.93Å; F714-H723 AromaticContact CE1-CG 3.99Å; F714-H723 HydrophobicContact CE2-CB 3.85Å; F714-H723 AromaticContact CE2-CD2 3.23Å; F714-H723 WeakPolarHBondContact CE2-CD2 3.07Å; F714-H723 AromaticContact CE2-CG 3.59Å; F714-H723 AromaticContact CE2-NE2 3.93Å; F714-H723 HydrophobicContact CZ-CB 3.53Å; F714-H723 AromaticContact CZ-CD2 3.24Å; F714-H723 WeakPolarHBondContact CZ-CD2 3.4Å; F714-H723 AromaticContact CZ-CE1 4Å; F714-H723 AromaticContact CZ-CG 3.19Å; F714-H723 AromaticContact CZ-ND1 3.7Å; F714-H723 AromaticContact CZ-NE2 3.73Å
715	F	59.5	Low	62.9	Low	79 Å²	79	64.8 Å²	64.8	35%	0.346	34%	0.342	S	S	.	.	S	Bend	trans	-78.8	-6.1	179.4	63.7	-93.3	0	0	0	114.1	I693 N694 T719	I693-F715 HydrophobicContact CG2-CB 3.86Å; N694-F715 HydrophobicContact CB-CD1 4.45Å; N694-F715 WeakPolarHBondContact OD1-CD1 3.35Å; N694-F715 VanDerWaalsContact OD1-CD2 3.27Å; N694-F715 WeakPolarHBondContact OD1-CD2 3.4Å; N694-F715 VanDerWaalsContact OD1-CG 3.26Å; N694-F715 WeakPolarHBondContact OD1-CG 3.49Å; F715-T719 HydrophobicContact CE1-CG2 4.19Å; F715-T719 HydrophobicContact CE2-CG2 4.25Å; F715-T719 HydrophobicContact CZ-CG2 3.73Å
716	S	56.5	Low	62.8	Low	42 Å²	42	65.8 Å²	65.8	29%	0.294	35%	0.352	S	S	.	.	S	Bend	trans	-153.8	139.5	179.7	-174.3	0	0	0	0	112.1	H705 F714 R718 T719 L720	H705-S716 VanDerWaalsContact CD2-CA 3.49Å; H705-S716 WeakPolarHBondContact CD2-CA 3.34Å; F714-S716 VanDerWaalsContact C-N 3.27Å; F714-S716 PolarHBondContact O-N 3.45Å; S716-R718 PolarHBondContact O-N 3.31Å; S716-R718 PolarHBondContact OG-N 2.88Å; S716-T719 WeakPolarHBondContact CB-OG1 3.25Å; S716-T719 PolarHBondContact N-OG1 3.18Å; S716-T719 PolarHBondContact O-N 2.9Å; S716-T719 PolarHBondContact O-OG1 2.99Å; S716-L720 PolarHBondContact O-N 3.37Å
717	S	53.3	Low	62.7	Low	52 Å²	52	66.9 Å²	66.9	36%	0.364	35%	0.351	S	S	.	.	H	α-helix	trans	-51.3	-38.8	172	162.2	0	0	0	0	111.7	H705 T719 L720 I721	H705-S717 PolarHBondContact CD2-N 3Å; H705-S717 PolarHBondContact NE2-N 2.78Å; H705-S717 VanDerWaalsContact NE2-N 3.15Å; S717-T719 VanDerWaalsContact C-N 3.33Å; S717-T719 PolarHBondContact O-N 3.21Å; S717-L720 PolarHBondContact O-N 3.15Å; S717-I721 WeakPolarHBondContact O-CB 3.42Å; S717-I721 WeakPolarHBondContact O-CD1 3.24Å; S717-I721 VanDerWaalsContact O-CG1 3.23Å; S717-I721 WeakPolarHBondContact O-CG1 3.48Å; S717-I721 PolarHBondContact O-N 3.31Å
718	R	57.9	Low	62.3	Low	206 Å²	206	72 Å²	72	78%	0.777	38%	0.378	S	S	*	.	H	α-helix	trans	-63.5	-36.4	176.8	-178.8	171	-70.2	179.3	-1	112.8	S716 S722	S716-R718 PolarHBondContact O-N 3.31Å; S716-R718 PolarHBondContact OG-N 2.88Å; R718-S722 PolarHBondContact O-N 2.94Å; R718-S722 PolarHBondContact O-OG 2.86Å
719	T	60.8	Low	62	Low	38 Å²	38	68.2 Å²	68.2	23%	0.233	37%	0.368	C	S	.	.	H	α-helix	trans	-75.6	-36	176.3	41.6	0	0	0	0	112.5	F715 S716 S717 S722 H723	F715-T719 HydrophobicContact CE1-CG2 4.19Å; F715-T719 HydrophobicContact CE2-CG2 4.25Å; F715-T719 HydrophobicContact CZ-CG2 3.73Å; S716-T719 WeakPolarHBondContact CB-OG1 3.25Å; S716-T719 PolarHBondContact N-OG1 3.18Å; S716-T719 PolarHBondContact O-N 2.9Å; S716-T719 PolarHBondContact O-OG1 2.99Å; S717-T719 VanDerWaalsContact C-N 3.33Å; S717-T719 PolarHBondContact O-N 3.21Å; T719-S722 WeakPolarHBondContact CA-OG 3.09Å; T719-S722 PolarHBondContact O-N 3.18Å; T719-S722 PolarHBondContact O-OG 3.28Å; T719-H723 PolarHBondContact O-N 3.07Å
720	L	66.1	Low	61.8	Low	22 Å²	22	67.6 Å²	67.6	12%	0.115	37%	0.365	C	S	.	.	H	α-helix	trans	-61.3	-47.5	170.9	174.1	62.3	0	0	0	111.2	H705 P706 C707 F714 S716 S717 S722 H723 K724	H705-L720 HydrophobicContact CB-CB 4.25Å; H705-L720 HydrophobicContact CB-CD2 3.94Å; P706-L720 WeakPolarHBondContact O-CD1 3.18Å; P706-L720 VanDerWaalsContact O-CD2 3.24Å; P706-L720 WeakPolarHBondContact O-CD2 3.36Å; C707-L720 HydrophobicContact CB-CD1 3.46Å; C707-L720 VanDerWaalsContact CB-CD1 3.46Å; F714-L720 HydrophobicContact CB-CB 4.14Å; F714-L720 HydrophobicContact CD2-CB 4.32Å; F714-L720 HydrophobicContact CD2-CD1 3.87Å; F714-L720 HydrophobicContact CE2-CD1 4.38Å; F714-L720 HydrophobicContact CG-CB 4.33Å; S716-L720 PolarHBondContact O-N 3.37Å; S717-L720 PolarHBondContact O-N 3.15Å; L720-S722 VanDerWaalsContact C-N 3.28Å; L720-S722 PolarHBondContact O-N 2.95Å; L720-H723 CarbonylContact O-C 3.24Å; L720-H723 WeakPolarHBondContact O-CA 3.44Å; L720-H723 WeakPolarHBondContact O-CB 3.45Å; L720-H723 PolarHBondContact O-N 3.27Å; L720-K724 HydrophobicContact CD1-CG 4.14Å; L720-K724 PolarHBondContact O-N 3.1Å
721	I	64.8	Low	61.9	Low	91 Å²	91	71.6 Å²	71.6	47%	0.467	38%	0.378	S	S	.	.	H	α-helix	trans	-59.8	-38.6	177.4	-69.2	162.9	0	0	0	111.1	S717 H723	S717-I721 WeakPolarHBondContact O-CB 3.42Å; S717-I721 WeakPolarHBondContact O-CD1 3.24Å; S717-I721 VanDerWaalsContact O-CG1 3.23Å; S717-I721 WeakPolarHBondContact O-CG1 3.48Å; S717-I721 PolarHBondContact O-N 3.31Å; I721-H723 VanDerWaalsContact C-N 3.28Å; I721-H723 PolarHBondContact O-N 3.06Å
722	S	59.9	Low	62.1	Low	24 Å²	24	71.9 Å²	71.9	17%	0.168	37%	0.368	C	S	.	.	H	α-helix	trans	-72.6	-18.1	172.1	56.7	0	0	0	0	114.4	R718 T719 L720 Y744	R718-S722 PolarHBondContact O-N 2.94Å; R718-S722 PolarHBondContact O-OG 2.86Å; T719-S722 WeakPolarHBondContact CA-OG 3.09Å; T719-S722 PolarHBondContact O-N 3.18Å; T719-S722 PolarHBondContact O-OG 3.28Å; L720-S722 VanDerWaalsContact C-N 3.28Å; L720-S722 PolarHBondContact O-N 2.95Å; S722-Y744 PolarHBondContact O-OH 3.34Å
723	H	69.3	Low	62.6	Low	26 Å²	26	69.5 Å²	69.5	12%	0.12	36%	0.358	C	S	.	.	H	α-helix	trans	-84.5	-41.5	175.3	-172.3	57.9	0	0	0	112.9	C710 F714 T719 L720 I721 R725 V726	C710-H723 PolarHBondContact SG-NE2 3.46Å; F714-H723 HydrophobicContact CE1-CB 3.93Å; F714-H723 AromaticContact CE1-CG 3.99Å; F714-H723 HydrophobicContact CE2-CB 3.85Å; F714-H723 AromaticContact CE2-CD2 3.23Å; F714-H723 WeakPolarHBondContact CE2-CD2 3.07Å; F714-H723 AromaticContact CE2-CG 3.59Å; F714-H723 AromaticContact CE2-NE2 3.93Å; F714-H723 HydrophobicContact CZ-CB 3.53Å; F714-H723 AromaticContact CZ-CD2 3.24Å; F714-H723 WeakPolarHBondContact CZ-CD2 3.4Å; F714-H723 AromaticContact CZ-CE1 4Å; F714-H723 AromaticContact CZ-CG 3.19Å; F714-H723 AromaticContact CZ-ND1 3.7Å; F714-H723 AromaticContact CZ-NE2 3.73Å; T719-H723 PolarHBondContact O-N 3.07Å; L720-H723 CarbonylContact O-C 3.24Å; L720-H723 WeakPolarHBondContact O-CA 3.44Å; L720-H723 WeakPolarHBondContact O-CB 3.45Å; L720-H723 PolarHBondContact O-N 3.27Å; I721-H723 VanDerWaalsContact C-N 3.28Å; I721-H723 PolarHBondContact O-N 3.06Å; H723-R725 PolarHBondContact O-N 3.25Å; H723-R725 VanDerWaalsContact O-N 3.11Å; H723-V726 WeakPolarHBondContact O-CA 3.3Å; H723-V726 WeakPolarHBondContact O-CB 3.13Å; H723-V726 WeakPolarHBondContact O-CG2 3.19Å; H723-V726 PolarHBondContact O-N 3.31Å
724	K	63.3	Low	62.8	Low	63 Å²	63	74.3 Å²	74.3	27%	0.274	37%	0.372	S	S	.	.	H	α-helix	trans	-57.2	-28.6	176.8	-70.7	-158	170.2	-160.9	0	113.3	D708 L720 V726 H727 L728	D708-K724 WeakPolarHBondContact OD2-CE 3.02Å; D708-K724 IonicContact OD2-NZ 3.94Å; D708-K724 PolarHBondContact OD2-NZ 3.31Å; L720-K724 HydrophobicContact CD1-CG 4.14Å; L720-K724 PolarHBondContact O-N 3.1Å; K724-V726 PolarHBondContact O-N 3.4Å; K724-V726 VanDerWaalsContact O-N 3.13Å; K724-H727 PolarHBondContact O-N 3.02Å; K724-L728 PolarHBondContact O-N 3.37Å
725	R	71.2	Confident	63.3	Low	72 Å²	72	72.5 Å²	72.5	27%	0.272	36%	0.364	S	S	.	.	H	α-helix	trans	-59.3	-18.1	169.2	-65.2	-174.1	177.2	153.8	5.9	115.3	H723 G729 E730	H723-R725 PolarHBondContact O-N 3.25Å; H723-R725 VanDerWaalsContact O-N 3.11Å; R725-G729 CarbonylContact O-C 3.59Å; R725-G729 PolarHBondContact O-N 2.69Å; R725-E730 HydrophobicContact CB-CB 3.98Å; R725-E730 HydrophobicContact CG-CB 3.99Å; R725-E730 WeakPolarHBondContact CG-OE2 3.49Å; R725-E730 IonicContact NE-OE2 3.29Å; R725-E730 PolarHBondContact NE-OE2 2.83Å; R725-E730 PolarHBondContact O-N 3.47Å; R725-E730 VanDerWaalsContact O-N 3.09Å
726	V	61.9	Low	63.9	Low	84 Å²	84	75.1 Å²	75.1	51%	0.509	39%	0.386	S	S	.	.	H	α-helix	trans	-77.6	-35.4	173.5	-175.9	0	0	0	0	110.5	H723 K724	H723-V726 WeakPolarHBondContact O-CA 3.3Å; H723-V726 WeakPolarHBondContact O-CB 3.13Å; H723-V726 WeakPolarHBondContact O-CG2 3.19Å; H723-V726 PolarHBondContact O-N 3.31Å; K724-V726 PolarHBondContact O-N 3.4Å; K724-V726 VanDerWaalsContact O-N 3.13Å
727	H	63.9	Low	64.5	Low	86 Å²	86	77.4 Å²	77.4	40%	0.398	39%	0.392	S	S	.	.	H	α-helix	trans	-75.1	-50.8	175.3	-57.3	-55.6	0	0	0	111.1	E709 C710 K724 G729	E709-H727 IonicContact OE2-CD2 2.63Å; E709-H727 PolarHBondContact OE2-CD2 3.46Å; E709-H727 IonicContact OE2-CG 2.65Å; C710-H727 WeakPolarHBondContact CB-NE2 3.26Å; C710-H727 PolarHBondContact SG-NE2 3.01Å; K724-H727 PolarHBondContact O-N 3.02Å; H727-G729 PolarHBondContact O-N 3.47Å
728	L	60.7	Low	65.5	Low	110 Å²	110	77.1 Å²	77.1	58%	0.576	39%	0.39	S	S	*	.	S	Bend	trans	-68.2	-2	176.9	-61.2	172.3	0	0	0	114.1	K724 E730	K724-L728 PolarHBondContact O-N 3.37Å; L728-E730 HydrophobicContact CB-CG 4.05Å; L728-E730 PolarHBondContact O-N 3.44Å
729	G	59.5	Low	66.1	Low	42 Å²	42	69 Å²	69	43%	0.433	37%	0.37	S	S	.	.			trans	64.8	-1.3	-176.5	0	0	0	0	0	115.8	R725 H727 K731	R725-G729 CarbonylContact O-C 3.59Å; R725-G729 PolarHBondContact O-N 2.69Å; H727-G729 PolarHBondContact O-N 3.47Å; G729-K731 PolarHBondContact O-N 3.28Å
730	E	59.2	Low	66.7	Low	85 Å²	85	73.2 Å²	73.2	40%	0.397	39%	0.385	S	S	.	.			trans	-52.1	126.2	-173.3	-81.1	-169.6	-174	0	0	113.1	R725 L728 P732	R725-E730 HydrophobicContact CB-CB 3.98Å; R725-E730 HydrophobicContact CG-CB 3.99Å; R725-E730 WeakPolarHBondContact CG-OE2 3.49Å; R725-E730 IonicContact NE-OE2 3.29Å; R725-E730 PolarHBondContact NE-OE2 2.83Å; R725-E730 PolarHBondContact O-N 3.47Å; R725-E730 VanDerWaalsContact O-N 3.09Å; L728-E730 HydrophobicContact CB-CG 4.05Å; L728-E730 PolarHBondContact O-N 3.44Å; E730-P732 HydrophobicContact CB-CG 4.49Å
731	K	68	Low	66.9	Low	125 Å²	125	74.6 Å²	74.6	54%	0.543	40%	0.396	S	S	.	.			trans	-127.2	72.8	175	-70.9	153.2	-174.3	160	0	110.1	G729 F733 S741 F742	G729-K731 PolarHBondContact O-N 3.28Å; K731-F733 PolarHBondContact O-N 3.43Å; K731-F733 VanDerWaalsContact O-N 3.08Å; K731-S741 VanDerWaalsContact CB-CB 3.47Å; K731-S741 WeakPolarHBondContact O-CB 3.21Å; K731-F742 CarbonylContact C-O 3.56Å; K731-F742 VanDerWaalsContact CA-O 3.31Å; K731-F742 WeakPolarHBondContact CA-O 3.47Å
732	P	66.9	Low	67.4	Low	71 Å²	71	72.2 Å²	72.2	46%	0.461	38%	0.383	S	S	.	.			trans	-65.5	-16.1	-171	-22	35	0	0	0	114.5	E730 K734	E730-P732 HydrophobicContact CB-CG 4.49Å; P732-K734 PolarHBondContact O-N 2.84Å
733	F	69	Low	67.6	Low	66 Å²	66	72.6 Å²	72.6	29%	0.289	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	80.1	-173.7	-54.9	-72.8	0	0	0	110.7	K731 F742 Y744 S745 L748	K731-F733 PolarHBondContact O-N 3.43Å; K731-F733 VanDerWaalsContact O-N 3.08Å; F733-F742 HydrophobicContact CB-CB 4.4Å; F733-F742 WeakPolarHBondContact CB-O 3.47Å; F733-F742 WeakPolarHBondContact CD2-O 3.41Å; F733-F742 PolarHBondContact N-O 3.47Å; F733-F742 PolarHBondContact O-N 3.23Å; F733-Y744 VanDerWaalsContact CD2-C 3.41Å; F733-S745 VanDerWaalsContact CD2-N 3.28Å; F733-L748 HydrophobicContact CB-CB 4Å; F733-L748 HydrophobicContact CB-CD2 3.82Å
734	K	63.8	Low	67.5	Low	139 Å²	139	75.6 Å²	75.6	60%	0.604	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	134.3	175.4	-167.8	173.8	-177.9	-179.2	0	111.6	P732	P732-K734 PolarHBondContact O-N 2.84Å
735	C	74.5	Confident	67.4	Low	0 Å²	0	75.7 Å²	75.7	0%	0	41%	0.405	C	S	.	.			trans	-79.8	124.8	168	-166.8	0	0	0	0	109.7	G739 K740 L748	C735-G739 WeakPolarHBondContact O-CA 3.23Å; C735-G739 PolarHBondContact O-N 2.66Å; C735-K740 VanDerWaalsContact CB-O 3.29Å; C735-K740 WeakPolarHBondContact CB-O 3.18Å; C735-K740 PolarHBondContact N-O 3.11Å; C735-L748 HydrophobicContact CB-CD1 3.6Å
736	V	70.9	Confident	67.1	Low	134 Å²	134	75.9 Å²	75.9	81%	0.812	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-41.5	177.3	-175.4	0	0	0	0	110.6	C738	V736-C738 VanDerWaalsContact C-N 3.31Å; V736-C738 PolarHBondContact O-N 2.79Å
737	E	70.6	Confident	67.5	Low	89 Å²	89	75.1 Å²	75.1	42%	0.416	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-14.1	-171.9	-64.5	146.8	110.9	0	0	114.8	K752 H755	E737-K752 IonicContact OE2-NZ 3.82Å; E737-K752 PolarHBondContact OE2-NZ 3.4Å; E737-H755 HydrophobicContact CB-CB 4.47Å; E737-H755 WeakPolarHBondContact OE1-CB 3.29Å
738	C	74	Confident	67.9	Low	47 Å²	47	72.2 Å²	72.2	32%	0.318	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.3	16.4	177.3	68.9	0	0	0	0	115.5	V736 K740 H751 H755	V736-C738 VanDerWaalsContact C-N 3.31Å; V736-C738 PolarHBondContact O-N 2.79Å; C738-K740 PolarHBondContact O-N 3.09Å; C738-H751 PolarHBondContact SG-NE2 3.23Å; C738-H755 PolarHBondContact SG-NE2 3.26Å
739	G	70.3	Confident	68.3	Low	35 Å²	35	70.8 Å²	70.8	36%	0.361	40%	0.396	S	S	.	.			trans	67.7	-10.3	178.4	0	0	0	0	0	116.9	C735 S741	C735-G739 WeakPolarHBondContact O-CA 3.23Å; C735-G739 PolarHBondContact O-N 2.66Å; G739-S741 PolarHBondContact O-N 3.17Å
740	K	72.3	Confident	68.6	Low	126 Å²	126	72.3 Å²	72.3	55%	0.548	39%	0.392	S	S	.	.			trans	-68.8	127.9	-173.3	-71.6	171.8	-174.6	166.2	0	112.3	C735 C738 F742	C735-K740 VanDerWaalsContact CB-O 3.29Å; C735-K740 WeakPolarHBondContact CB-O 3.18Å; C735-K740 PolarHBondContact N-O 3.11Å; C738-K740 PolarHBondContact O-N 3.09Å; K740-F742 HydrophobicContact CB-CE2 3.95Å; K740-F742 HydrophobicContact CB-CZ 4.11Å; K740-F742 WeakPolarHBondContact O-CD2 3.36Å; K740-F742 VanDerWaalsContact O-CE2 3.25Å; K740-F742 WeakPolarHBondContact O-CE2 3.29Å
741	S	70.9	Confident	69.3	Low	51 Å²	51	69.6 Å²	69.6	36%	0.357	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	139.4	-175.1	-54.7	0	0	0	0	113.1	K731 G739	K731-S741 VanDerWaalsContact CB-CB 3.47Å; K731-S741 WeakPolarHBondContact O-CB 3.21Å; G739-S741 PolarHBondContact O-N 3.17Å
742	F	75.1	Confident	69.4	Low	42 Å²	42	67.6 Å²	67.6	18%	0.184	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147.7	-178.1	-59.8	-87.6	0	0	0	112	K731 F733 K740 Y744 L747 L748 H751	K731-F742 CarbonylContact C-O 3.56Å; K731-F742 VanDerWaalsContact CA-O 3.31Å; K731-F742 WeakPolarHBondContact CA-O 3.47Å; F733-F742 HydrophobicContact CB-CB 4.4Å; F733-F742 WeakPolarHBondContact CB-O 3.47Å; F733-F742 WeakPolarHBondContact CD2-O 3.41Å; F733-F742 PolarHBondContact N-O 3.47Å; F733-F742 PolarHBondContact O-N 3.23Å; K740-F742 HydrophobicContact CB-CE2 3.95Å; K740-F742 HydrophobicContact CB-CZ 4.11Å; K740-F742 WeakPolarHBondContact O-CD2 3.36Å; K740-F742 VanDerWaalsContact O-CE2 3.25Å; K740-F742 WeakPolarHBondContact O-CE2 3.29Å; F742-Y744 VanDerWaalsContact C-N 3.34Å; F742-L747 HydrophobicContact CB-CB 4.26Å; F742-L747 HydrophobicContact CD1-CB 4.03Å; F742-L747 HydrophobicContact CG-CB 4.37Å; F742-L748 HydrophobicContact CB-CB 4.38Å; F742-L748 HydrophobicContact CD2-CB 4.08Å; F742-L748 HydrophobicContact CD2-CD1 3.93Å; F742-L748 HydrophobicContact CE2-CD1 4.21Å; F742-L748 HydrophobicContact CG-CB 4.43Å; F742-H751 HydrophobicContact CD2-CB 4.44Å; F742-H751 HydrophobicContact CE1-CB 4.18Å; F742-H751 HydrophobicContact CE2-CB 3.75Å; F742-H751 AromaticContact CE2-CD2 3.46Å; F742-H751 VanDerWaalsContact CE2-CD2 3.46Å; F742-H751 WeakPolarHBondContact CE2-CD2 3.09Å; F742-H751 AromaticContact CE2-CG 3.5Å; F742-H751 VanDerWaalsContact CE2-CG 3.5Å; F742-H751 HydrophobicContact CZ-CB 3.62Å; F742-H751 AromaticContact CZ-CD2 3.54Å; F742-H751 AromaticContact CZ-CE1 3.78Å; F742-H751 AromaticContact CZ-CG 3.22Å; F742-H751 AromaticContact CZ-ND1 3.4Å; F742-H751 WeakPolarHBondContact CZ-ND1 3.24Å; F742-H751 AromaticContact CZ-NE2 3.87Å
743	S	63.5	Low	69.9	Low	32 Å²	32	67 Å²	67	22%	0.224	36%	0.359	C	S	.	.	S	Bend	trans	-76.3	-19.1	176.2	46.5	0	0	0	0	113.7
744	Y	67.1	Low	70	Confident	89 Å²	89	67.3 Å²	67.3	35%	0.349	37%	0.366	S	S	.	.	S	Bend	trans	-130.1	136.5	179	-63.8	-91.7	0	0	0	111.9	S722 F733 F742 S746 L747 L748	S722-Y744 PolarHBondContact O-OH 3.34Å; F733-Y744 VanDerWaalsContact CD2-C 3.41Å; F742-Y744 VanDerWaalsContact C-N 3.34Å; Y744-S746 VanDerWaalsContact C-N 3.26Å; Y744-S746 PolarHBondContact O-N 3.29Å; Y744-L747 HydrophobicContact CD2-CD1 4.03Å; Y744-L747 WeakPolarHBondContact O-CB 3.14Å; Y744-L747 PolarHBondContact O-N 3.02Å; Y744-L747 VanDerWaalsContact O-N 3.09Å; Y744-L748 PolarHBondContact O-N 3.04Å; Y744-L748 VanDerWaalsContact O-N 3.16Å
745	S	62.9	Low	70.4	Confident	64 Å²	64	64.2 Å²	64.2	45%	0.448	35%	0.354	S	S	.	.	H	α-helix	trans	-62.9	-31.1	177.2	54.8	0	0	0	0	113.2	F733 L747 L748 S749	F733-S745 VanDerWaalsContact CD2-N 3.28Å; S745-L747 VanDerWaalsContact C-N 3.32Å; S745-L747 PolarHBondContact O-N 3.25Å; S745-L748 PolarHBondContact O-N 3.44Å; S745-S749 PolarHBondContact O-N 2.84Å; S745-S749 PolarHBondContact O-OG 3.41Å; S745-S749 VanDerWaalsContact O-OG 3.08Å
746	S	63.4	Low	70.1	Confident	76 Å²	76	67.6 Å²	67.6	53%	0.531	38%	0.375	S	S	.	.	H	α-helix	trans	-62.5	-37.2	172.9	50.9	0	0	0	0	112.8	Y744 S749 Q750	Y744-S746 VanDerWaalsContact C-N 3.26Å; Y744-S746 PolarHBondContact O-N 3.29Å; S746-S749 PolarHBondContact O-N 2.87Å; S746-Q750 WeakPolarHBondContact O-CB 3.22Å; S746-Q750 PolarHBondContact O-N 2.84Å
747	L	70.4	Confident	70	Confident	69 Å²	69	63.4 Å²	63.4	36%	0.361	36%	0.358	S	S	.	.	H	α-helix	trans	-71.3	-38.5	174.6	-64	177.5	0	0	0	111	F742 Y744 S745 Q750 H751	F742-L747 HydrophobicContact CB-CB 4.26Å; F742-L747 HydrophobicContact CD1-CB 4.03Å; F742-L747 HydrophobicContact CG-CB 4.37Å; Y744-L747 HydrophobicContact CD2-CD1 4.03Å; Y744-L747 WeakPolarHBondContact O-CB 3.14Å; Y744-L747 PolarHBondContact O-N 3.02Å; Y744-L747 VanDerWaalsContact O-N 3.09Å; S745-L747 VanDerWaalsContact C-N 3.32Å; S745-L747 PolarHBondContact O-N 3.25Å; L747-Q750 CarbonylContact O-C 3.04Å; L747-Q750 PolarHBondContact O-N 3.02Å; L747-H751 VanDerWaalsContact O-CB 3.23Å; L747-H751 WeakPolarHBondContact O-CB 3.17Å; L747-H751 PolarHBondContact O-N 3.13Å
748	L	72.6	Confident	69.9	Low	25 Å²	25	63.4 Å²	63.4	13%	0.131	36%	0.358	C	S	.	.	H	α-helix	trans	-62.6	-44.5	171	176	61	0	0	0	111.9	F733 C735 F742 Y744 S745 Q750 H751 K752	F733-L748 HydrophobicContact CB-CB 4Å; F733-L748 HydrophobicContact CB-CD2 3.82Å; C735-L748 HydrophobicContact CB-CD1 3.6Å; F742-L748 HydrophobicContact CB-CB 4.38Å; F742-L748 HydrophobicContact CD2-CB 4.08Å; F742-L748 HydrophobicContact CD2-CD1 3.93Å; F742-L748 HydrophobicContact CE2-CD1 4.21Å; F742-L748 HydrophobicContact CG-CB 4.43Å; Y744-L748 PolarHBondContact O-N 3.04Å; Y744-L748 VanDerWaalsContact O-N 3.16Å; S745-L748 PolarHBondContact O-N 3.44Å; L748-Q750 VanDerWaalsContact C-N 3.31Å; L748-Q750 PolarHBondContact O-N 2.82Å; L748-H751 CarbonylContact O-C 3.55Å; L748-H751 WeakPolarHBondContact O-CA 3.4Å; L748-H751 WeakPolarHBondContact O-CB 3.48Å; L748-H751 PolarHBondContact O-N 3.22Å; L748-K752 HydrophobicContact CD1-CG 4.49Å; L748-K752 PolarHBondContact O-N 2.83Å
749	S	68.5	Low	70	Confident	79 Å²	79	67.4 Å²	67.4	55%	0.552	37%	0.37	S	S	*	.	H	α-helix	trans	-62.4	-37.7	175.9	-58.5	0	0	0	0	112.4	S745 S746 H751	S745-S749 PolarHBondContact O-N 2.84Å; S745-S749 PolarHBondContact O-OG 3.41Å; S745-S749 VanDerWaalsContact O-OG 3.08Å; S746-S749 PolarHBondContact O-N 2.87Å; S749-H751 VanDerWaalsContact C-N 3.32Å
750	Q	65.9	Low	70.1	Confident	74 Å²	74	69 Å²	69	35%	0.346	37%	0.374	S	S	.	.	H	α-helix	trans	-69	-31.7	171.3	-172.7	177.2	76.3	0	0	111.9	S746 L747 L748 R771 N772	S746-Q750 WeakPolarHBondContact O-CB 3.22Å; S746-Q750 PolarHBondContact O-N 2.84Å; L747-Q750 CarbonylContact O-C 3.04Å; L747-Q750 PolarHBondContact O-N 3.02Å; L748-Q750 VanDerWaalsContact C-N 3.31Å; L748-Q750 PolarHBondContact O-N 2.82Å; Q750-R771 PolarHBondContact O-NE 3Å; Q750-R771 PolarHBondContact O-NH2 2.82Å; Q750-N772 WeakPolarHBondContact CG-OD1 3.49Å; Q750-N772 VanDerWaalsContact NE2-CG 3.33Å; Q750-N772 PolarHBondContact NE2-ND2 3.12Å; Q750-N772 PolarHBondContact NE2-OD1 3.26Å
751	H	74.6	Confident	70.1	Confident	28 Å²	28	66.7 Å²	66.7	13%	0.13	36%	0.363	C	S	.	.	H	α-helix	trans	-72.4	-39.6	179	-171.7	70.3	0	0	0	113	C738 F742 L747 L748 S749 R753 V754 H755 R771	C738-H751 PolarHBondContact SG-NE2 3.23Å; F742-H751 HydrophobicContact CD2-CB 4.44Å; F742-H751 HydrophobicContact CE1-CB 4.18Å; F742-H751 HydrophobicContact CE2-CB 3.75Å; F742-H751 AromaticContact CE2-CD2 3.46Å; F742-H751 VanDerWaalsContact CE2-CD2 3.46Å; F742-H751 WeakPolarHBondContact CE2-CD2 3.09Å; F742-H751 AromaticContact CE2-CG 3.5Å; F742-H751 VanDerWaalsContact CE2-CG 3.5Å; F742-H751 HydrophobicContact CZ-CB 3.62Å; F742-H751 AromaticContact CZ-CD2 3.54Å; F742-H751 AromaticContact CZ-CE1 3.78Å; F742-H751 AromaticContact CZ-CG 3.22Å; F742-H751 AromaticContact CZ-ND1 3.4Å; F742-H751 WeakPolarHBondContact CZ-ND1 3.24Å; F742-H751 AromaticContact CZ-NE2 3.87Å; L747-H751 VanDerWaalsContact O-CB 3.23Å; L747-H751 WeakPolarHBondContact O-CB 3.17Å; L747-H751 PolarHBondContact O-N 3.13Å; L748-H751 CarbonylContact O-C 3.55Å; L748-H751 WeakPolarHBondContact O-CA 3.4Å; L748-H751 WeakPolarHBondContact O-CB 3.48Å; L748-H751 PolarHBondContact O-N 3.22Å; S749-H751 VanDerWaalsContact C-N 3.32Å; H751-R753 PolarHBondContact O-N 3.09Å; H751-V754 WeakPolarHBondContact O-CG2 3.19Å; H751-V754 PolarHBondContact O-N 3.39Å; H751-H755 AromaticContact NE2-NE2 3.84Å; H751-R771 PolarHBondContact O-NH2 2.92Å
752	K	70.2	Confident	70	Confident	84 Å²	84	67.8 Å²	67.8	37%	0.365	37%	0.367	S	S	.	.	H	α-helix	trans	-52.4	-30.9	178	-76.7	-165.8	162.7	-103.2	0	113.7	E737 L748 V754 H755 T756	E737-K752 IonicContact OE2-NZ 3.82Å; E737-K752 PolarHBondContact OE2-NZ 3.4Å; L748-K752 HydrophobicContact CD1-CG 4.49Å; L748-K752 PolarHBondContact O-N 2.83Å; K752-V754 PolarHBondContact O-N 3.48Å; K752-H755 PolarHBondContact O-N 3.39Å; K752-T756 PolarHBondContact O-N 2.71Å
753	R	77.4	Confident	70.1	Confident	58 Å²	58	65.9 Å²	65.9	22%	0.219	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	7.6	169.9	-54.7	-175.9	179.7	150.1	6	115.6	H751 E758 R771	H751-R753 PolarHBondContact O-N 3.09Å; R753-E758 HydrophobicContact CB-CB 4.26Å; R753-E758 HydrophobicContact CG-CB 3.98Å; R753-E758 IonicContact NE-OE2 3.82Å; R753-E758 PolarHBondContact NE-OE2 2.87Å; R753-R771 HydrophobicContact CB-CG 3.74Å; R753-R771 PolarHBondContact NH1-O 3.05Å; R753-R771 VanDerWaalsContact O-CD 3.31Å; R753-R771 WeakPolarHBondContact O-CD 3.49Å; R753-R771 PolarHBondContact O-NE 2.86Å; R753-R771 PolarHBondContact O-NH1 3.42Å; R753-R771 VanDerWaalsContact O-NH1 3.13Å
754	V	72.2	Confident	70.6	Confident	72 Å²	72	70.5 Å²	70.5	44%	0.436	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-50.4	158.6	-174.1	0	0	0	0	107.5	H751 K752 R771	H751-V754 WeakPolarHBondContact O-CG2 3.19Å; H751-V754 PolarHBondContact O-N 3.39Å; K752-V754 PolarHBondContact O-N 3.48Å; V754-R771 VanDerWaalsContact CG2-NH1 3.3Å; V754-R771 VanDerWaalsContact CG2-NH2 3.29Å; V754-R771 VanDerWaalsContact N-NH2 3.14Å
755	H	71.7	Confident	70.8	Confident	74 Å²	74	75 Å²	75	34%	0.343	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-43.1	-168.8	-50.7	-65	0	0	0	111.1	E737 C738 H751 K752 G757	E737-H755 HydrophobicContact CB-CB 4.47Å; E737-H755 WeakPolarHBondContact OE1-CB 3.29Å; C738-H755 PolarHBondContact SG-NE2 3.26Å; H751-H755 AromaticContact NE2-NE2 3.84Å; K752-H755 PolarHBondContact O-N 3.39Å; H755-G757 PolarHBondContact O-N 2.82Å
756	T	67.9	Low	71.5	Confident	72 Å²	72	74.3 Å²	74.3	44%	0.442	39%	0.392	S	S	.	.	S	Bend	trans	-77.3	-4.4	177.1	69.2	0	0	0	0	114.4	K752 E758	K752-T756 PolarHBondContact O-N 2.71Å; T756-E758 PolarHBondContact O-N 2.95Å; T756-E758 VanDerWaalsContact OG1-CD 3.32Å; T756-E758 WeakPolarHBondContact OG1-CG 3.22Å; T756-E758 PolarHBondContact OG1-OE1 3.23Å
757	G	69.6	Low	72	Confident	45 Å²	45	73.4 Å²	73.4	46%	0.464	39%	0.394	S	S	.	.			trans	64.5	-7.4	-178.5	0	0	0	0	0	116.5	H755	H755-G757 PolarHBondContact O-N 2.82Å
758	E	68.1	Low	72.1	Confident	90 Å²	90	76.3 Å²	76.3	42%	0.421	40%	0.404	S	S	.	.			trans	-49.3	132.2	-172.2	-81.7	170	-134.1	0	0	114.6	R753 T756 P760	R753-E758 HydrophobicContact CB-CB 4.26Å; R753-E758 HydrophobicContact CG-CB 3.98Å; R753-E758 IonicContact NE-OE2 3.82Å; R753-E758 PolarHBondContact NE-OE2 2.87Å; T756-E758 PolarHBondContact O-N 2.95Å; T756-E758 VanDerWaalsContact OG1-CD 3.32Å; T756-E758 WeakPolarHBondContact OG1-CG 3.22Å; T756-E758 PolarHBondContact OG1-OE1 3.23Å; E758-P760 HydrophobicContact CB-CG 4.2Å
759	K	75.6	Confident	72.4	Confident	130 Å²	130	77 Å²	77	57%	0.565	41%	0.413	S	S	*	.			trans	-125.5	69.9	174.3	-68.7	162	-178.8	173.7	0	111.7	Y761 A769 F770	K759-Y761 PolarHBondContact O-N 3.1Å; K759-A769 HydrophobicContact CB-CB 3.58Å; K759-A769 HydrophobicContact CD-CB 4.16Å; K759-A769 WeakPolarHBondContact CD-O 3.39Å; K759-A769 HydrophobicContact CG-CB 4.46Å; K759-F770 CarbonylContact C-O 3.43Å; K759-F770 VanDerWaalsContact CA-O 3.31Å; K759-F770 WeakPolarHBondContact CA-O 3.24Å
760	P	71.6	Confident	72.7	Confident	68 Å²	68	75.7 Å²	75.7	44%	0.442	40%	0.398	S	S	.	.			trans	-74.1	2.7	-167.4	-18.6	35.1	0	0	0	116.1	E758	E758-P760 HydrophobicContact CB-CG 4.2Å
761	Y	73.1	Confident	72.9	Confident	79 Å²	79	75.6 Å²	75.6	31%	0.31	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	84.2	-177.2	-55.4	-79.3	0	0	0	109.7	K759 F770 R771	K759-Y761 PolarHBondContact O-N 3.1Å; Y761-F770 WeakPolarHBondContact CB-O 3.37Å; Y761-F770 WeakPolarHBondContact CD2-O 3.38Å; Y761-F770 PolarHBondContact N-O 3.17Å; Y761-F770 WeakPolarHBondContact O-CB 3.44Å; Y761-F770 PolarHBondContact O-N 3.38Å; Y761-R771 WeakPolarHBondContact CD2-O 3.39Å; Y761-R771 WeakPolarHBondContact CE2-O 3.34Å
762	V	69.2	Low	72.9	Confident	74 Å²	74	76.5 Å²	76.5	45%	0.448	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	147.3	177.5	-176.6	0	0	0	0	110.6	A769 L776	V762-A769 HydrophobicContact CG2-CB 4.18Å; V762-L776 VanDerWaalsContact O-CD2 3.28Å; V762-L776 WeakPolarHBondContact O-CD2 3.41Å
763	C	76.3	Confident	72.8	Confident	1 Å²	1	75.2 Å²	75.2	1%	0.007	40%	0.402	C	S	.	.			trans	-92.3	112.6	171	-167.3	0	0	0	0	111.1	R765 C766 G767 K768 F770 L776 H779	C763-R765 PolarHBondContact O-N 3.17Å; C763-R765 VanDerWaalsContact O-N 3.1Å; C763-C766 PolarHBondContact O-N 3.48Å; C763-C766 VanDerWaalsContact O-N 3.07Å; C763-G767 PolarHBondContact O-N 3.32Å; C763-K768 WeakPolarHBondContact CB-O 3.22Å; C763-K768 PolarHBondContact N-O 3.48Å; C763-F770 HydrophobicContact CB-CE2 4.47Å; C763-L776 HydrophobicContact CB-CD1 3.61Å; C763-H779 VanDerWaalsContact SG-CD2 3.57Å
764	D	73.9	Confident	72.5	Confident	130 Å²	130	76.4 Å²	76.4	70%	0.695	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.5	-173	-28.2	-80.5	0	0	0	113.3	K780	D764-K780 WeakPolarHBondContact OD2-CE 3.21Å; D764-K780 IonicContact OD2-NZ 3.65Å; D764-K780 PolarHBondContact OD2-NZ 3.26Å
765	R	72.3	Confident	72.4	Confident	184 Å²	184	74.4 Å²	74.4	69%	0.694	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-18	176.4	-82.7	-169.8	174.5	-176.9	-1.9	115.2	C763 H783	C763-R765 PolarHBondContact O-N 3.17Å; C763-R765 VanDerWaalsContact O-N 3.1Å; R765-H783 PolarHBondContact NH1-O 3.1Å
766	C	77.4	Confident	72.6	Confident	49 Å²	49	72 Å²	72	33%	0.331	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.3	16.9	-172	78.8	0	0	0	0	115.8	C763 K768 H779 H783	C763-C766 PolarHBondContact O-N 3.48Å; C763-C766 VanDerWaalsContact O-N 3.07Å; C766-K768 PolarHBondContact O-N 3.29Å; C766-H779 PolarHBondContact SG-NE2 2.83Å; C766-H783 VanDerWaalsContact SG-CE1 3.51Å; C766-H783 PolarHBondContact SG-NE2 2.76Å
767	G	72.7	Confident	72.8	Confident	56 Å²	56	72 Å²	72	58%	0.577	40%	0.403	S	S	*	.			trans	65.8	-10.4	177.5	0	0	0	0	0	116.7	C763 A769	C763-G767 PolarHBondContact O-N 3.32Å; G767-A769 PolarHBondContact O-N 3.5Å
768	K	74.5	Confident	72.9	Confident	130 Å²	130	72.3 Å²	72.3	57%	0.565	40%	0.396	S	S	*	.			trans	-64.6	119.4	-173.9	-73	176.5	-177.4	170.2	0	110.6	C763 C766 F770	C763-K768 WeakPolarHBondContact CB-O 3.22Å; C763-K768 PolarHBondContact N-O 3.48Å; C766-K768 PolarHBondContact O-N 3.29Å; K768-F770 HydrophobicContact CB-CE2 3.81Å; K768-F770 HydrophobicContact CB-CZ 4.2Å; K768-F770 VanDerWaalsContact O-CD2 3.26Å; K768-F770 WeakPolarHBondContact O-CD2 3.41Å; K768-F770 WeakPolarHBondContact O-CE2 3.41Å
769	A	77.6	Confident	73.3	Confident	40 Å²	40	69 Å²	69	33%	0.331	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.2	-173.5	0	0	0	0	0	112.4	K759 V762 G767	K759-A769 HydrophobicContact CB-CB 3.58Å; K759-A769 HydrophobicContact CD-CB 4.16Å; K759-A769 WeakPolarHBondContact CD-O 3.39Å; K759-A769 HydrophobicContact CG-CB 4.46Å; V762-A769 HydrophobicContact CG2-CB 4.18Å; G767-A769 PolarHBondContact O-N 3.5Å
770	F	75.1	Confident	73.1	Confident	52 Å²	52	66.9 Å²	66.9	23%	0.228	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	147.9	-178.6	-62.4	-93	0	0	0	111.7	K759 Y761 C763 K768 L776 H779	K759-F770 CarbonylContact C-O 3.43Å; K759-F770 VanDerWaalsContact CA-O 3.31Å; K759-F770 WeakPolarHBondContact CA-O 3.24Å; Y761-F770 WeakPolarHBondContact CB-O 3.37Å; Y761-F770 WeakPolarHBondContact CD2-O 3.38Å; Y761-F770 PolarHBondContact N-O 3.17Å; Y761-F770 WeakPolarHBondContact O-CB 3.44Å; Y761-F770 PolarHBondContact O-N 3.38Å; C763-F770 HydrophobicContact CB-CE2 4.47Å; K768-F770 HydrophobicContact CB-CE2 3.81Å; K768-F770 HydrophobicContact CB-CZ 4.2Å; K768-F770 VanDerWaalsContact O-CD2 3.26Å; K768-F770 WeakPolarHBondContact O-CD2 3.41Å; K768-F770 WeakPolarHBondContact O-CE2 3.41Å; F770-L776 HydrophobicContact CB-CB 4.21Å; F770-L776 HydrophobicContact CD2-CB 4.22Å; F770-L776 HydrophobicContact CD2-CD1 3.99Å; F770-L776 HydrophobicContact CE2-CD1 4.39Å; F770-L776 HydrophobicContact CG-CB 4.35Å; F770-H779 HydrophobicContact CE1-CB 3.94Å; F770-H779 HydrophobicContact CE2-CB 3.82Å; F770-H779 AromaticContact CE2-CD2 3.18Å; F770-H779 WeakPolarHBondContact CE2-CD2 3.42Å; F770-H779 AromaticContact CE2-CG 3.53Å; F770-H779 AromaticContact CE2-NE2 3.92Å; F770-H779 HydrophobicContact CZ-CB 3.46Å; F770-H779 VanDerWaalsContact CZ-CB 3.46Å; F770-H779 AromaticContact CZ-CD2 3.4Å; F770-H779 WeakPolarHBondContact CZ-CD2 3.49Å; F770-H779 AromaticContact CZ-CG 3.24Å; F770-H779 AromaticContact CZ-ND1 3.84Å
771	R	70.7	Confident	73.4	Confident	71 Å²	71	65.7 Å²	65.7	27%	0.268	36%	0.357	S	S	.	.	S	Bend	trans	-81.2	-26	-178.6	176.2	177	155.7	175.2	4.4	114.4	Q750 H751 R753 V754 Y761	Q750-R771 PolarHBondContact O-NE 3Å; Q750-R771 PolarHBondContact O-NH2 2.82Å; H751-R771 PolarHBondContact O-NH2 2.92Å; R753-R771 HydrophobicContact CB-CG 3.74Å; R753-R771 PolarHBondContact NH1-O 3.05Å; R753-R771 VanDerWaalsContact O-CD 3.31Å; R753-R771 WeakPolarHBondContact O-CD 3.49Å; R753-R771 PolarHBondContact O-NE 2.86Å; R753-R771 PolarHBondContact O-NH1 3.42Å; R753-R771 VanDerWaalsContact O-NH1 3.13Å; V754-R771 VanDerWaalsContact CG2-NH1 3.3Å; V754-R771 VanDerWaalsContact CG2-NH2 3.29Å; V754-R771 VanDerWaalsContact N-NH2 3.14Å; Y761-R771 WeakPolarHBondContact CD2-O 3.39Å; Y761-R771 WeakPolarHBondContact CE2-O 3.34Å
772	N	73.9	Confident	73.4	Confident	48 Å²	48	66.9 Å²	66.9	26%	0.257	37%	0.368	S	S	.	.	S	Bend	trans	-127.7	138.9	-176.8	-65.1	-10.4	0	0	0	109.8	Q750 S774 G775 L776	Q750-N772 WeakPolarHBondContact CG-OD1 3.49Å; Q750-N772 VanDerWaalsContact NE2-CG 3.33Å; Q750-N772 PolarHBondContact NE2-ND2 3.12Å; Q750-N772 PolarHBondContact NE2-OD1 3.26Å; N772-S774 VanDerWaalsContact C-N 3.33Å; N772-S774 PolarHBondContact O-N 2.81Å; N772-G775 PolarHBondContact O-N 2.99Å; N772-L776 PolarHBondContact O-N 3.06Å
773	S	68.9	Low	73.6	Confident	56 Å²	56	66.2 Å²	66.2	39%	0.392	36%	0.36	S	S	.	.	H	α-helix	trans	-57.4	-42.5	178.2	48.3	0	0	0	0	112.6	G775 L776 T777	S773-G775 PolarHBondContact O-N 3.44Å; S773-L776 CarbonylContact O-C 3.59Å; S773-L776 WeakPolarHBondContact O-CA 3.43Å; S773-L776 WeakPolarHBondContact O-CB 3.49Å; S773-L776 PolarHBondContact O-N 3.24Å; S773-T777 PolarHBondContact O-N 3.45Å; S773-T777 PolarHBondContact O-OG1 2.85Å; S773-T777 VanDerWaalsContact O-OG1 3.12Å
774	S	70.3	Confident	73.2	Confident	83 Å²	83	69.6 Å²	69.6	58%	0.58	38%	0.381	S	S	*	.	H	α-helix	trans	-59.7	-31.2	176.9	-39.7	0	0	0	0	113.1	N772 T777 V778	N772-S774 VanDerWaalsContact C-N 3.33Å; N772-S774 PolarHBondContact O-N 2.81Å; S774-T777 PolarHBondContact O-N 3.41Å; S774-V778 WeakPolarHBondContact O-CG2 3.41Å; S774-V778 PolarHBondContact O-N 3.14Å
775	G	70.6	Confident	73	Confident	31 Å²	31	65.8 Å²	65.8	32%	0.32	37%	0.372	S	S	.	.	H	α-helix	trans	-69	-43.4	174.1	0	0	0	0	0	111.7	N772 S773 T777 H779	N772-G775 PolarHBondContact O-N 2.99Å; S773-G775 PolarHBondContact O-N 3.44Å; G775-T777 VanDerWaalsContact C-N 3.35Å; G775-H779 VanDerWaalsContact O-CB 3.32Å; G775-H779 WeakPolarHBondContact O-CB 3.38Å; G775-H779 PolarHBondContact O-N 2.97Å
776	L	75.3	Confident	72.8	Confident	22 Å²	22	61.4 Å²	61.4	12%	0.115	36%	0.36	C	S	.	.	H	α-helix	trans	-63	-39.1	171.3	176.4	62.3	0	0	0	111.7	V762 C763 F770 N772 S773 H779 K780	V762-L776 VanDerWaalsContact O-CD2 3.28Å; V762-L776 WeakPolarHBondContact O-CD2 3.41Å; C763-L776 HydrophobicContact CB-CD1 3.61Å; F770-L776 HydrophobicContact CB-CB 4.21Å; F770-L776 HydrophobicContact CD2-CB 4.22Å; F770-L776 HydrophobicContact CD2-CD1 3.99Å; F770-L776 HydrophobicContact CE2-CD1 4.39Å; F770-L776 HydrophobicContact CG-CB 4.35Å; N772-L776 PolarHBondContact O-N 3.06Å; S773-L776 CarbonylContact O-C 3.59Å; S773-L776 WeakPolarHBondContact O-CA 3.43Å; S773-L776 WeakPolarHBondContact O-CB 3.49Å; S773-L776 PolarHBondContact O-N 3.24Å; L776-H779 PolarHBondContact O-N 3.13Å; L776-K780 HydrophobicContact CD1-CD 4.46Å; L776-K780 HydrophobicContact CD1-CG 4.02Å; L776-K780 HydrophobicContact CG-CD 4.46Å; L776-K780 HydrophobicContact CG-CG 4.35Å; L776-K780 WeakPolarHBondContact O-CB 3.38Å; L776-K780 WeakPolarHBondContact O-CG 3.21Å; L776-K780 PolarHBondContact O-N 2.86Å
777	T	71.4	Confident	72.7	Confident	73 Å²	73	64.5 Å²	64.5	45%	0.448	37%	0.367	S	S	.	.	H	α-helix	trans	-63.1	-48.2	177.7	-55.2	0	0	0	0	111.8	S773 S774 G775 H779 K780 R781	S773-T777 PolarHBondContact O-N 3.45Å; S773-T777 PolarHBondContact O-OG1 2.85Å; S773-T777 VanDerWaalsContact O-OG1 3.12Å; S774-T777 PolarHBondContact O-N 3.41Å; G775-T777 VanDerWaalsContact C-N 3.35Å; T777-H779 VanDerWaalsContact C-N 3.29Å; T777-H779 PolarHBondContact O-N 2.58Å; T777-K780 PolarHBondContact O-N 3.3Å; T777-R781 PolarHBondContact O-N 3.16Å
778	V	72.3	Confident	72.7	Confident	52 Å²	52	65 Å²	65	32%	0.315	36%	0.361	S	S	.	.	H	α-helix	trans	-63.6	-36.6	175.4	172	0	0	0	0	111	S774 I799	S774-V778 WeakPolarHBondContact O-CG2 3.41Å; S774-V778 PolarHBondContact O-N 3.14Å; V778-I799 HydrophobicContact CG1-CG2 4.18Å
779	H	75.7	Confident	72.8	Confident	19 Å²	19	62.2 Å²	62.2	9%	0.088	35%	0.347	C	S	.	.	H	α-helix	trans	-69	-39.7	175.4	177.8	56.8	0	0	0	113.5	C763 C766 F770 G775 L776 T777 R781 I782 H783	C763-H779 VanDerWaalsContact SG-CD2 3.57Å; C766-H779 PolarHBondContact SG-NE2 2.83Å; F770-H779 HydrophobicContact CE1-CB 3.94Å; F770-H779 HydrophobicContact CE2-CB 3.82Å; F770-H779 AromaticContact CE2-CD2 3.18Å; F770-H779 WeakPolarHBondContact CE2-CD2 3.42Å; F770-H779 AromaticContact CE2-CG 3.53Å; F770-H779 AromaticContact CE2-NE2 3.92Å; F770-H779 HydrophobicContact CZ-CB 3.46Å; F770-H779 VanDerWaalsContact CZ-CB 3.46Å; F770-H779 AromaticContact CZ-CD2 3.4Å; F770-H779 WeakPolarHBondContact CZ-CD2 3.49Å; F770-H779 AromaticContact CZ-CG 3.24Å; F770-H779 AromaticContact CZ-ND1 3.84Å; G775-H779 VanDerWaalsContact O-CB 3.32Å; G775-H779 WeakPolarHBondContact O-CB 3.38Å; G775-H779 PolarHBondContact O-N 2.97Å; L776-H779 PolarHBondContact O-N 3.13Å; T777-H779 VanDerWaalsContact C-N 3.29Å; T777-H779 PolarHBondContact O-N 2.58Å; H779-R781 PolarHBondContact O-N 2.78Å; H779-I782 VanDerWaalsContact O-CB 3.27Å; H779-I782 WeakPolarHBondContact O-CB 3.42Å; H779-I782 PolarHBondContact O-N 3.31Å; H779-H783 AromaticContact CD2-NE2 3.84Å; H779-H783 AromaticContact CE1-NE2 3.38Å; H779-H783 PolarHBondContact CE1-NE2 3.47Å; H779-H783 AromaticContact NE2-CD2 3.85Å; H779-H783 AromaticContact NE2-CE1 3.98Å; H779-H783 AromaticContact NE2-NE2 3.04Å; H779-H783 PolarHBondContact NE2-NE2 2.82Å
780	K	71.3	Confident	72.3	Confident	87 Å²	87	66.3 Å²	66.3	38%	0.378	36%	0.359	S	S	.	.	H	α-helix	trans	-59.6	-32.8	177.2	-82	-168.5	173.3	-166.2	0	112.2	D764 L776 T777 I782 H783 T784	D764-K780 WeakPolarHBondContact OD2-CE 3.21Å; D764-K780 IonicContact OD2-NZ 3.65Å; D764-K780 PolarHBondContact OD2-NZ 3.26Å; L776-K780 HydrophobicContact CD1-CD 4.46Å; L776-K780 HydrophobicContact CD1-CG 4.02Å; L776-K780 HydrophobicContact CG-CD 4.46Å; L776-K780 HydrophobicContact CG-CG 4.35Å; L776-K780 WeakPolarHBondContact O-CB 3.38Å; L776-K780 WeakPolarHBondContact O-CG 3.21Å; L776-K780 PolarHBondContact O-N 2.86Å; T777-K780 PolarHBondContact O-N 3.3Å; K780-I782 VanDerWaalsContact C-N 3.27Å; K780-I782 PolarHBondContact O-N 3.39Å; K780-H783 WeakPolarHBondContact O-CB 3.33Å; K780-H783 PolarHBondContact O-N 2.95Å; K780-T784 PolarHBondContact O-N 2.92Å
781	R	78.8	Confident	72.4	Confident	42 Å²	42	63.9 Å²	63.9	16%	0.158	35%	0.349	C	S	.	.	H	α-helix	trans	-66.8	-21.8	173.2	-67.6	-178.3	176.3	157.9	-1.1	114.7	T777 H779 H783 T784 G785 E786 Y789 I799	T777-R781 PolarHBondContact O-N 3.16Å; H779-R781 PolarHBondContact O-N 2.78Å; R781-H783 PolarHBondContact O-N 2.62Å; R781-T784 WeakPolarHBondContact CA-OG1 3.46Å; R781-T784 PolarHBondContact O-N 3.1Å; R781-G785 PolarHBondContact O-N 3.26Å; R781-E786 HydrophobicContact CB-CB 4.05Å; R781-E786 HydrophobicContact CG-CB 3.88Å; R781-E786 IonicContact NE-OE2 3.98Å; R781-E786 PolarHBondContact O-N 2.62Å; R781-Y789 PolarHBondContact NH1-OH 2.95Å; R781-I799 HydrophobicContact CB-CG2 3.53Å; R781-I799 PolarHBondContact NH1-O 3.26Å
782	I	72.9	Confident	72.5	Confident	105 Å²	105	67 Å²	67	54%	0.538	37%	0.371	S	S	.	.	H	α-helix	trans	-66.7	-32.4	170.3	-53.1	178	0	0	0	109.9	H779 K780 I799	H779-I782 VanDerWaalsContact O-CB 3.27Å; H779-I782 WeakPolarHBondContact O-CB 3.42Å; H779-I782 PolarHBondContact O-N 3.31Å; K780-I782 VanDerWaalsContact C-N 3.27Å; K780-I782 PolarHBondContact O-N 3.39Å; I782-I799 HydrophobicContact CG1-CD1 4.23Å
783	H	72.9	Confident	72.4	Confident	60 Å²	60	69.1 Å²	69.1	28%	0.278	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-9.2	176.3	-59.5	-67	0	0	0	114.6	R765 C766 H779 K780 R781	R765-H783 PolarHBondContact NH1-O 3.1Å; C766-H783 VanDerWaalsContact SG-CE1 3.51Å; C766-H783 PolarHBondContact SG-NE2 2.76Å; H779-H783 AromaticContact CD2-NE2 3.84Å; H779-H783 AromaticContact CE1-NE2 3.38Å; H779-H783 PolarHBondContact CE1-NE2 3.47Å; H779-H783 AromaticContact NE2-CD2 3.85Å; H779-H783 AromaticContact NE2-CE1 3.98Å; H779-H783 AromaticContact NE2-NE2 3.04Å; H779-H783 PolarHBondContact NE2-NE2 2.82Å; K780-H783 WeakPolarHBondContact O-CB 3.33Å; K780-H783 PolarHBondContact O-N 2.95Å; R781-H783 PolarHBondContact O-N 2.62Å
784	T	68.7	Low	72.8	Confident	72 Å²	72	68.6 Å²	68.6	44%	0.442	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	-4.1	177.4	61.3	0	0	0	0	113.5	K780 R781 E786	K780-T784 PolarHBondContact O-N 2.92Å; R781-T784 WeakPolarHBondContact CA-OG1 3.46Å; R781-T784 PolarHBondContact O-N 3.1Å; T784-E786 WeakPolarHBondContact CB-OE1 3.47Å; T784-E786 PolarHBondContact O-N 2.79Å; T784-E786 VanDerWaalsContact O-N 3.14Å; T784-E786 WeakPolarHBondContact OG1-CG 3.38Å; T784-E786 PolarHBondContact OG1-OE1 2.98Å
785	G	69.1	Low	72.9	Confident	50 Å²	50	67.4 Å²	67.4	52%	0.515	38%	0.376	S	S	.	.			trans	72.5	-7.5	-176.4	0	0	0	0	0	114.9	R781 K787	R781-G785 PolarHBondContact O-N 3.26Å; G785-K787 PolarHBondContact O-N 2.78Å
786	E	68.5	Low	73.1	Confident	91 Å²	91	71.3 Å²	71.3	43%	0.425	38%	0.384	S	S	.	.			trans	-53.6	126.1	-176.7	-79.9	167.6	-120.6	0	0	113.1	R781 T784 P788	R781-E786 HydrophobicContact CB-CB 4.05Å; R781-E786 HydrophobicContact CG-CB 3.88Å; R781-E786 IonicContact NE-OE2 3.98Å; R781-E786 PolarHBondContact O-N 2.62Å; T784-E786 WeakPolarHBondContact CB-OE1 3.47Å; T784-E786 PolarHBondContact O-N 2.79Å; T784-E786 VanDerWaalsContact O-N 3.14Å; T784-E786 WeakPolarHBondContact OG1-CG 3.38Å; T784-E786 PolarHBondContact OG1-OE1 2.98Å; E786-P788 HydrophobicContact CB-CG 4.12Å
787	K	76.1	Confident	73.2	Confident	114 Å²	114	71.9 Å²	71.9	50%	0.496	39%	0.392	S	S	.	.			trans	-125	63.4	175.6	-70.7	164	177.5	177.2	0	111.9	G785 Y789 A797 Y798 I799	G785-K787 PolarHBondContact O-N 2.78Å; K787-Y789 PolarHBondContact O-N 2.79Å; K787-A797 HydrophobicContact CB-CB 3.55Å; K787-A797 HydrophobicContact CD-CB 4.04Å; K787-A797 WeakPolarHBondContact CD-O 3.44Å; K787-A797 HydrophobicContact CG-CB 4.4Å; K787-Y798 CarbonylContact C-O 3.24Å; K787-Y798 VanDerWaalsContact CA-O 3.32Å; K787-Y798 WeakPolarHBondContact CA-O 3.49Å; K787-I799 HydrophobicContact CG-CG1 3.84Å
788	P	73	Confident	73.5	Confident	68 Å²	68	71.1 Å²	71.1	44%	0.442	38%	0.381	S	S	.	.			trans	-76.8	23.2	-164.1	-14.8	33.9	0	0	0	115.4	E786	E786-P788 HydrophobicContact CB-CG 4.12Å
789	Y	76.1	Confident	73.4	Confident	70 Å²	70	71 Å²	71	28%	0.275	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	82.5	-178.1	-55.6	-63.9	0	0	0	108.7	R781 K787 Y798 H801	R781-Y789 PolarHBondContact NH1-OH 2.95Å; K787-Y789 PolarHBondContact O-N 2.79Å; Y789-Y798 WeakPolarHBondContact CD2-O 3.33Å; Y789-Y798 PolarHBondContact N-O 3.04Å; Y789-Y798 PolarHBondContact O-N 2.91Å; Y789-H801 HydrophobicContact CD1-CB 4.2Å; Y789-H801 HydrophobicContact CD2-CB 4.3Å; Y789-H801 HydrophobicContact CE1-CB 4.03Å; Y789-H801 HydrophobicContact CE2-CB 4.09Å; Y789-H801 HydrophobicContact CG-CB 4.34Å
790	E	66.9	Low	73.4	Confident	126 Å²	126	70.9 Å²	70.9	59%	0.589	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	152.8	174.9	-78.3	156.4	-158.3	0	0	111.5	A797 L804	E790-A797 HydrophobicContact CG-CB 3.59Å; E790-L804 VanDerWaalsContact O-CD2 3.29Å; E790-L804 WeakPolarHBondContact O-CD2 3.37Å
791	C	76.2	Confident	73.3	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.007	38%	0.384	C	S	.	.			trans	-96.6	109.2	175.3	-165.7	0	0	0	0	109.1	E793 C794 G795 K796 L804	C791-E793 PolarHBondContact O-N 3.15Å; C791-C794 PolarHBondContact O-N 3.13Å; C791-G795 WeakPolarHBondContact O-CA 3.46Å; C791-G795 PolarHBondContact O-N 3.4Å; C791-K796 PolarHBondContact N-O 2.97Å; C791-L804 HydrophobicContact CB-CD1 3.6Å
792	D	73.4	Confident	72.7	Confident	138 Å²	138	73.3 Å²	73.3	74%	0.738	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-22.3	-178.1	-31.1	-92.4	0	0	0	112.6	K808	D792-K808 VanDerWaalsContact OD2-CE 3.3Å; D792-K808 WeakPolarHBondContact OD2-CE 3.33Å; D792-K808 IonicContact OD2-NZ 2.58Å; D792-K808 PolarHBondContact OD2-NZ 3.21Å
793	E	72.4	Confident	72.7	Confident	91 Å²	91	70.7 Å²	70.7	43%	0.425	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-12.2	-179	-67.4	145.9	-137.5	0	0	113.7	C791 K808 H811	C791-E793 PolarHBondContact O-N 3.15Å; E793-K808 IonicContact OE1-NZ 2.65Å; E793-K808 PolarHBondContact OE1-NZ 3.46Å; E793-H811 WeakPolarHBondContact OE2-CB 3.35Å; E793-H811 IonicContact OE2-CD2 3.19Å; E793-H811 PolarHBondContact OE2-CD2 3.38Å; E793-H811 IonicContact OE2-CG 3.42Å
794	C	76.3	Confident	72.8	Confident	45 Å²	45	68.6 Å²	68.6	30%	0.304	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159.7	9.8	-178.1	74.8	0	0	0	0	117.3	C791 K796 H807 H811	C791-C794 PolarHBondContact O-N 3.13Å; C794-K796 PolarHBondContact O-N 3.28Å; C794-K796 VanDerWaalsContact O-N 3.08Å; C794-H807 PolarHBondContact SG-NE2 3.2Å; C794-H811 WeakPolarHBondContact CB-NE2 3.4Å; C794-H811 PolarHBondContact SG-NE2 3.5Å
795	G	72.3	Confident	72.8	Confident	58 Å²	58	69.5 Å²	69.5	60%	0.598	39%	0.386	S	S	*	.			trans	69.3	-3	-179.6	0	0	0	0	0	116.3	C791 A797	C791-G795 WeakPolarHBondContact O-CA 3.46Å; C791-G795 PolarHBondContact O-N 3.4Å; G795-A797 PolarHBondContact O-N 3.19Å
796	K	75.6	Confident	72.6	Confident	114 Å²	114	70.3 Å²	70.3	50%	0.496	38%	0.378	S	S	.	.			trans	-72.4	119.3	-174.4	-70.6	174.3	-175.3	166.6	0	111.6	C791 C794 Y798	C791-K796 PolarHBondContact N-O 2.97Å; C794-K796 PolarHBondContact O-N 3.28Å; C794-K796 VanDerWaalsContact O-N 3.08Å; K796-Y798 HydrophobicContact CB-CE2 3.69Å; K796-Y798 WeakPolarHBondContact O-CD2 3.37Å; K796-Y798 WeakPolarHBondContact O-CE2 3.35Å
797	A	76.9	Confident	72.8	Confident	33 Å²	33	67 Å²	67	27%	0.273	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	133.2	-177.2	0	0	0	0	0	113	K787 E790 G795	K787-A797 HydrophobicContact CB-CB 3.55Å; K787-A797 HydrophobicContact CD-CB 4.04Å; K787-A797 WeakPolarHBondContact CD-O 3.44Å; K787-A797 HydrophobicContact CG-CB 4.4Å; E790-A797 HydrophobicContact CG-CB 3.59Å; G795-A797 PolarHBondContact O-N 3.19Å
798	Y	77.4	Confident	72.4	Confident	57 Å²	57	63.7 Å²	63.7	22%	0.224	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	144.5	-176.8	-67.3	-85.2	0	0	0	114.3	K787 Y789 K796 S800 L804 H807	K787-Y798 CarbonylContact C-O 3.24Å; K787-Y798 VanDerWaalsContact CA-O 3.32Å; K787-Y798 WeakPolarHBondContact CA-O 3.49Å; Y789-Y798 WeakPolarHBondContact CD2-O 3.33Å; Y789-Y798 PolarHBondContact N-O 3.04Å; Y789-Y798 PolarHBondContact O-N 2.91Å; K796-Y798 HydrophobicContact CB-CE2 3.69Å; K796-Y798 WeakPolarHBondContact O-CD2 3.37Å; K796-Y798 WeakPolarHBondContact O-CE2 3.35Å; Y798-S800 VanDerWaalsContact C-N 3.31Å; Y798-S800 PolarHBondContact O-N 3.42Å; Y798-L804 HydrophobicContact CD2-CB 4.31Å; Y798-L804 HydrophobicContact CD2-CD1 4.05Å; Y798-L804 HydrophobicContact CE2-CD1 4.49Å; Y798-H807 HydrophobicContact CE1-CB 4.38Å; Y798-H807 HydrophobicContact CE2-CB 3.94Å; Y798-H807 AromaticContact CE2-CD2 3.34Å; Y798-H807 WeakPolarHBondContact CE2-CD2 3.46Å; Y798-H807 AromaticContact CE2-CG 3.78Å; Y798-H807 AromaticContact CZ-CD2 3.53Å; Y798-H807 AromaticContact CZ-CG 3.6Å; Y798-H807 PolarHBondContact OH-CD2 3.33Å; Y798-H807 PolarHBondContact OH-NE2 2.77Å
799	I	71	Confident	72.2	Confident	49 Å²	49	61.6 Å²	61.6	25%	0.251	34%	0.335	S	S	.	.	S	Bend	trans	-70.1	-28.2	-179.9	-52	-178.8	0	0	0	111.9	V778 R781 I782 K787	V778-I799 HydrophobicContact CG1-CG2 4.18Å; R781-I799 HydrophobicContact CB-CG2 3.53Å; R781-I799 PolarHBondContact NH1-O 3.26Å; I782-I799 HydrophobicContact CG1-CD1 4.23Å; K787-I799 HydrophobicContact CG-CG1 3.84Å
800	S	75.9	Confident	71.7	Confident	17 Å²	17	61.5 Å²	61.5	12%	0.119	34%	0.342	C	S	.	.	S	Bend	trans	-133.5	144.3	-178.2	97.7	0	0	0	0	113.2	Y798 S802 S803 L804	Y798-S800 VanDerWaalsContact C-N 3.31Å; Y798-S800 PolarHBondContact O-N 3.42Å; S800-S802 VanDerWaalsContact C-N 3.25Å; S800-S802 PolarHBondContact O-N 2.92Å; S800-S803 WeakPolarHBondContact O-CA 3.21Å; S800-S803 VanDerWaalsContact O-CB 3.26Å; S800-S803 WeakPolarHBondContact O-CB 3.49Å; S800-S803 PolarHBondContact O-N 3.41Å; S800-S803 PolarHBondContact OG-N 2.96Å; S800-S803 VanDerWaalsContact OG-N 3.09Å; S800-S803 PolarHBondContact OG-OG 3.39Å; S800-L804 PolarHBondContact O-N 2.92Å; S800-L804 VanDerWaalsContact O-N 3.13Å
801	H	68	Low	71.7	Confident	103 Å²	103	59.9 Å²	59.9	48%	0.477	33%	0.334	S	S	.	.	H	α-helix	trans	-62.3	-32.3	178.1	-172.8	-105.3	0	0	0	112.4	Y789 S803 L804 I805	Y789-H801 HydrophobicContact CD1-CB 4.2Å; Y789-H801 HydrophobicContact CD2-CB 4.3Å; Y789-H801 HydrophobicContact CE1-CB 4.03Å; Y789-H801 HydrophobicContact CE2-CB 4.09Å; Y789-H801 HydrophobicContact CG-CB 4.34Å; H801-S803 VanDerWaalsContact C-N 3.31Å; H801-S803 PolarHBondContact O-N 3.11Å; H801-L804 PolarHBondContact O-N 2.87Å; H801-I805 WeakPolarHBondContact O-CG1 3.4Å; H801-I805 PolarHBondContact O-N 3.23Å
802	S	67.9	Low	71	Confident	78 Å²	78	64.8 Å²	64.8	55%	0.545	36%	0.357	S	S	.	.	H	α-helix	trans	-67.2	-32.1	173	-56.4	0	0	0	0	112.4	S800 N806	S800-S802 VanDerWaalsContact C-N 3.25Å; S800-S802 PolarHBondContact O-N 2.92Å; S802-N806 WeakPolarHBondContact O-CB 3.34Å; S802-N806 PolarHBondContact O-N 3.07Å; S802-N806 VanDerWaalsContact O-N 3.12Å; S802-N806 PolarHBondContact O-ND2 2.88Å; S802-N806 PolarHBondContact O-OD1 3.48Å
803	S	72.7	Confident	70.3	Confident	50 Å²	50	60.9 Å²	60.9	35%	0.35	35%	0.349	S	S	.	.	H	α-helix	trans	-68.6	-41.1	172.8	-52.5	0	0	0	0	111.1	S800 H801 N806 H807	S800-S803 WeakPolarHBondContact O-CA 3.21Å; S800-S803 VanDerWaalsContact O-CB 3.26Å; S800-S803 WeakPolarHBondContact O-CB 3.49Å; S800-S803 PolarHBondContact O-N 3.41Å; S800-S803 PolarHBondContact OG-N 2.96Å; S800-S803 VanDerWaalsContact OG-N 3.09Å; S800-S803 PolarHBondContact OG-OG 3.39Å; H801-S803 VanDerWaalsContact C-N 3.31Å; H801-S803 PolarHBondContact O-N 3.11Å; S803-N806 PolarHBondContact O-N 3.25Å; S803-H807 WeakPolarHBondContact O-CB 3.47Å; S803-H807 PolarHBondContact O-N 3.03Å
804	L	73.8	Confident	69.7	Low	16 Å²	16	62.7 Å²	62.7	8%	0.084	36%	0.356	C	S	.	.	H	α-helix	trans	-64.2	-46.3	174.9	176	61.4	0	0	0	112.2	E790 C791 Y798 S800 H801 N806 H807 K808	E790-L804 VanDerWaalsContact O-CD2 3.29Å; E790-L804 WeakPolarHBondContact O-CD2 3.37Å; C791-L804 HydrophobicContact CB-CD1 3.6Å; Y798-L804 HydrophobicContact CD2-CB 4.31Å; Y798-L804 HydrophobicContact CD2-CD1 4.05Å; Y798-L804 HydrophobicContact CE2-CD1 4.49Å; S800-L804 PolarHBondContact O-N 2.92Å; S800-L804 VanDerWaalsContact O-N 3.13Å; H801-L804 PolarHBondContact O-N 2.87Å; L804-N806 VanDerWaalsContact C-N 3.33Å; L804-N806 PolarHBondContact O-N 3.44Å; L804-H807 CarbonylContact O-C 3.58Å; L804-H807 WeakPolarHBondContact O-CA 3.41Å; L804-H807 WeakPolarHBondContact O-CB 3.49Å; L804-H807 PolarHBondContact O-N 3.23Å; L804-K808 HydrophobicContact CD1-CD 4.49Å; L804-K808 HydrophobicContact CD1-CG 4.2Å; L804-K808 PolarHBondContact O-N 3.41Å
805	I	68.9	Low	69	Low	91 Å²	91	64.6 Å²	64.6	47%	0.467	36%	0.36	S	S	.	.	H	α-helix	trans	-57	-48.2	176	-71	167.9	0	0	0	110.7	H801 H807 K808 S809	H801-I805 WeakPolarHBondContact O-CG1 3.4Å; H801-I805 PolarHBondContact O-N 3.23Å; I805-H807 PolarHBondContact O-N 3.47Å; I805-K808 PolarHBondContact O-N 3Å; I805-S809 PolarHBondContact O-N 3.02Å; I805-S809 PolarHBondContact O-OG 3.45Å
806	N	65.8	Low	68.4	Low	67 Å²	67	65.5 Å²	65.5	36%	0.358	36%	0.355	S	S	.	.	H	α-helix	trans	-67.4	-15.1	177.9	-66.4	-6.3	0	0	0	113.3	S802 S803 L804 S809 Y827	S802-N806 WeakPolarHBondContact O-CB 3.34Å; S802-N806 PolarHBondContact O-N 3.07Å; S802-N806 VanDerWaalsContact O-N 3.12Å; S802-N806 PolarHBondContact O-ND2 2.88Å; S802-N806 PolarHBondContact O-OD1 3.48Å; S803-N806 PolarHBondContact O-N 3.25Å; L804-N806 VanDerWaalsContact C-N 3.33Å; L804-N806 PolarHBondContact O-N 3.44Å; N806-S809 VanDerWaalsContact C-OG 3.28Å; N806-S809 WeakPolarHBondContact CA-OG 3.39Å; N806-S809 PolarHBondContact O-OG 3.08Å; N806-Y827 HydrophobicContact CB-CE1 3.96Å
807	H	73	Confident	68	Low	20 Å²	20	64.2 Å²	64.2	9%	0.093	35%	0.348	C	S	.	.	H	α-helix	trans	-87.1	-42	171.1	-175.4	41.1	0	0	0	112.2	C794 Y798 S803 L804 I805 S809 V810	C794-H807 PolarHBondContact SG-NE2 3.2Å; Y798-H807 HydrophobicContact CE1-CB 4.38Å; Y798-H807 HydrophobicContact CE2-CB 3.94Å; Y798-H807 AromaticContact CE2-CD2 3.34Å; Y798-H807 WeakPolarHBondContact CE2-CD2 3.46Å; Y798-H807 AromaticContact CE2-CG 3.78Å; Y798-H807 AromaticContact CZ-CD2 3.53Å; Y798-H807 AromaticContact CZ-CG 3.6Å; Y798-H807 PolarHBondContact OH-CD2 3.33Å; Y798-H807 PolarHBondContact OH-NE2 2.77Å; S803-H807 WeakPolarHBondContact O-CB 3.47Å; S803-H807 PolarHBondContact O-N 3.03Å; L804-H807 CarbonylContact O-C 3.58Å; L804-H807 WeakPolarHBondContact O-CA 3.41Å; L804-H807 WeakPolarHBondContact O-CB 3.49Å; L804-H807 PolarHBondContact O-N 3.23Å; I805-H807 PolarHBondContact O-N 3.47Å; H807-S809 PolarHBondContact O-N 3.34Å; H807-V810 WeakPolarHBondContact O-CA 3.24Å; H807-V810 WeakPolarHBondContact O-CB 3.47Å; H807-V810 VanDerWaalsContact O-CG2 3.32Å; H807-V810 WeakPolarHBondContact O-CG2 3.38Å; H807-V810 PolarHBondContact O-N 3.05Å
808	K	66.9	Low	67.5	Low	46 Å²	46	67.6 Å²	67.6	20%	0.2	36%	0.361	C	S	.	.	H	α-helix	trans	-61	-28	175.6	-73.7	-171.3	169.4	-119.1	0	113.1	D792 E793 L804 I805 V810 H811 Q812	D792-K808 VanDerWaalsContact OD2-CE 3.3Å; D792-K808 WeakPolarHBondContact OD2-CE 3.33Å; D792-K808 IonicContact OD2-NZ 2.58Å; D792-K808 PolarHBondContact OD2-NZ 3.21Å; E793-K808 IonicContact OE1-NZ 2.65Å; E793-K808 PolarHBondContact OE1-NZ 3.46Å; L804-K808 HydrophobicContact CD1-CD 4.49Å; L804-K808 HydrophobicContact CD1-CG 4.2Å; L804-K808 PolarHBondContact O-N 3.41Å; I805-K808 PolarHBondContact O-N 3Å; K808-V810 PolarHBondContact O-N 3.15Å; K808-H811 PolarHBondContact O-N 3.42Å; K808-Q812 WeakPolarHBondContact O-CG 3.44Å; K808-Q812 PolarHBondContact O-N 3.3Å; K808-Q812 VanDerWaalsContact O-N 3.09Å
809	S	67.9	Low	67.3	Low	24 Å²	24	65.2 Å²	65.2	17%	0.168	35%	0.353	C	S	.	.	H	α-helix	trans	-63.2	-19.7	168.6	44.8	0	0	0	0	114.5	I805 N806 H807 G813 K814	I805-S809 PolarHBondContact O-N 3.02Å; I805-S809 PolarHBondContact O-OG 3.45Å; N806-S809 VanDerWaalsContact C-OG 3.28Å; N806-S809 WeakPolarHBondContact CA-OG 3.39Å; N806-S809 PolarHBondContact O-OG 3.08Å; H807-S809 PolarHBondContact O-N 3.34Å; S809-G813 PolarHBondContact O-N 2.79Å; S809-K814 PolarHBondContact O-N 3.36Å
810	V	66.3	Low	67.1	Low	68 Å²	68	70.6 Å²	70.6	41%	0.412	38%	0.377	S	S	.	.	H	α-helix	trans	-73.9	-46.2	173	-171.8	0	0	0	0	110.6	H807 K808 Q812 G813	H807-V810 WeakPolarHBondContact O-CA 3.24Å; H807-V810 WeakPolarHBondContact O-CB 3.47Å; H807-V810 VanDerWaalsContact O-CG2 3.32Å; H807-V810 WeakPolarHBondContact O-CG2 3.38Å; H807-V810 PolarHBondContact O-N 3.05Å; K808-V810 PolarHBondContact O-N 3.15Å; V810-Q812 VanDerWaalsContact C-N 3.35Å; V810-Q812 PolarHBondContact O-N 3.39Å; V810-G813 PolarHBondContact O-N 3.35Å
811	H	67.9	Low	66.9	Low	92 Å²	92	72.6 Å²	72.6	43%	0.426	39%	0.391	S	S	.	.	H	α-helix	trans	-64.4	-38.9	176.9	-62.8	-56.6	0	0	0	112.4	E793 C794 K808 G813	E793-H811 WeakPolarHBondContact OE2-CB 3.35Å; E793-H811 IonicContact OE2-CD2 3.19Å; E793-H811 PolarHBondContact OE2-CD2 3.38Å; E793-H811 IonicContact OE2-CG 3.42Å; C794-H811 WeakPolarHBondContact CB-NE2 3.4Å; C794-H811 PolarHBondContact SG-NE2 3.5Å; K808-H811 PolarHBondContact O-N 3.42Å; H811-G813 PolarHBondContact O-N 2.8Å
812	Q	61.1	Low	66.8	Low	103 Å²	103	70.9 Å²	70.9	48%	0.481	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	0.8	178.2	-63.8	-172.4	16.6	0	0	114.2	K808 V810 K814	K808-Q812 WeakPolarHBondContact O-CG 3.44Å; K808-Q812 PolarHBondContact O-N 3.3Å; K808-Q812 VanDerWaalsContact O-N 3.09Å; V810-Q812 VanDerWaalsContact C-N 3.35Å; V810-Q812 PolarHBondContact O-N 3.39Å; Q812-K814 HydrophobicContact CB-CD 4.08Å; Q812-K814 HydrophobicContact CB-CG 4.27Å; Q812-K814 PolarHBondContact O-N 3.23Å
813	G	59.3	Low	66.9	Low	57 Å²	57	73.4 Å²	73.4	59%	0.588	40%	0.402	S	S	*	.			trans	63.2	-0.3	-176.7	0	0	0	0	0	115.5	S809 V810 H811 Q815	S809-G813 PolarHBondContact O-N 2.79Å; V810-G813 PolarHBondContact O-N 3.35Å; H811-G813 PolarHBondContact O-N 2.8Å; G813-Q815 PolarHBondContact O-N 3.29Å
814	K	58.2	Low	66.5	Low	128 Å²	128	72.6 Å²	72.6	56%	0.557	40%	0.397	S	S	*	.			trans	-77.1	89.3	-172.6	-74.2	169.1	-169	164	0	110.6	S809 Q812 P816	S809-K814 PolarHBondContact O-N 3.36Å; Q812-K814 HydrophobicContact CB-CD 4.08Å; Q812-K814 HydrophobicContact CB-CG 4.27Å; Q812-K814 PolarHBondContact O-N 3.23Å; K814-P816 WeakPolarHBondContact O-CD 3.34Å; K814-P816 WeakPolarHBondContact O-CG 3.2Å
815	Q	63.2	Low	66.4	Low	85 Å²	85	73.7 Å²	73.7	40%	0.397	40%	0.401	S	S	.	.			trans	-80.5	100.1	167.9	-51.1	-151.6	-75.6	0	0	109.3	G813 Y817 N818 S824 N826	G813-Q815 PolarHBondContact O-N 3.29Å; Q815-Y817 VanDerWaalsContact C-N 3.26Å; Q815-Y817 PolarHBondContact O-N 2.98Å; Q815-N818 PolarHBondContact O-OD1 3.23Å; Q815-S824 PolarHBondContact NE2-O 3Å; Q815-S824 PolarHBondContact OE1-O 2.94Å; Q815-S824 VanDerWaalsContact OE1-O 3.14Å; Q815-N826 WeakPolarHBondContact CG-OD1 3.46Å; Q815-N826 PolarHBondContact NE2-OD1 2.85Å
816	P	59.6	Low	66	Low	77 Å²	77	71.4 Å²	71.4	50%	0.5	39%	0.389	S	S	.	.			trans	-84.8	1.8	-165.9	-8.8	29.1	0	0	0	113.8	K814 F825	K814-P816 WeakPolarHBondContact O-CD 3.34Å; K814-P816 WeakPolarHBondContact O-CG 3.2Å; P816-F825 WeakPolarHBondContact CD-O 3.41Å
817	Y	66	Low	65.8	Low	88 Å²	88	73 Å²	73	35%	0.345	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	86.5	-168.4	-56.1	-63.3	0	0	0	110.1	Q815 F825 Y827 R828	Q815-Y817 VanDerWaalsContact C-N 3.26Å; Q815-Y817 PolarHBondContact O-N 2.98Å; Y817-F825 WeakPolarHBondContact CB-O 3.26Å; Y817-F825 PolarHBondContact N-O 3.32Å; Y817-F825 PolarHBondContact O-N 3.1Å; Y817-Y827 VanDerWaalsContact CD2-C 3.44Å; Y817-R828 HydrophobicContact CD1-CB 3.84Å; Y817-R828 HydrophobicContact CD1-CG 4.05Å; Y817-R828 HydrophobicContact CD2-CB 4.18Å; Y817-R828 HydrophobicContact CE1-CB 3.77Å; Y817-R828 HydrophobicContact CE1-CG 4.13Å; Y817-R828 HydrophobicContact CE2-CB 4.08Å; Y817-R828 HydrophobicContact CG-CB 4.05Å
818	N	67	Low	65.3	Low	103 Å²	103	80.9 Å²	80.9	55%	0.551	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	151	-178.7	-56.3	-2.8	0	0	0	111	Q815 S824 L831	Q815-N818 PolarHBondContact O-OD1 3.23Å; N818-S824 WeakPolarHBondContact OD1-CB 3.3Å; N818-S824 PolarHBondContact OD1-OG 3.23Å; N818-L831 WeakPolarHBondContact O-CD1 3.43Å; N818-L831 VanDerWaalsContact O-CD2 3.31Å; N818-L831 WeakPolarHBondContact O-CD2 3.37Å
819	C	73.5	Confident	65.1	Low	8 Å²	8	82.7 Å²	82.7	5%	0.054	44%	0.439	C	S	.	.			trans	-110.2	151.8	170.1	-159.6	0	0	0	0	110.3	C821 G822 K823 F825 L831	C819-C821 PolarHBondContact O-N 2.83Å; C819-G822 PolarHBondContact O-N 3.07Å; C819-K823 WeakPolarHBondContact CB-O 3.44Å; C819-K823 PolarHBondContact N-O 3.14Å; C819-F825 HydrophobicContact CB-CE2 4.45Å; C819-L831 HydrophobicContact CB-CD1 3.49Å; C819-L831 VanDerWaalsContact CB-CD1 3.49Å
820	E	67.3	Low	65.1	Low	161 Å²	161	84 Å²	84	75%	0.752	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-27.3	176.1	-66.5	82.8	-103.2	0	0	113.9	G822 K835	E820-G822 PolarHBondContact O-N 3.36Å; E820-K835 IonicContact OE1-NZ 2.82Å; E820-K835 PolarHBondContact OE1-NZ 3.13Å; E820-K835 IonicContact OE2-NZ 2.67Å; E820-K835 PolarHBondContact OE2-NZ 3.36Å
821	C	71.3	Confident	65.4	Low	59 Å²	59	81.8 Å²	81.8	40%	0.399	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	22.5	176.4	74.8	0	0	0	0	114.6	C819 K823 H834 H838	C819-C821 PolarHBondContact O-N 2.83Å; C821-K823 PolarHBondContact O-N 3.34Å; C821-K823 VanDerWaalsContact O-N 3.1Å; C821-H834 PolarHBondContact SG-NE2 2.99Å; C821-H838 VanDerWaalsContact SG-CE1 3.56Å; C821-H838 PolarHBondContact SG-NE2 3.12Å
822	G	65	Low	65.4	Low	68 Å²	68	81.3 Å²	81.3	70%	0.701	43%	0.432	S	S	*	.	S	Bend	trans	70.8	-0.6	179.3	0	0	0	0	0	116.5	C819 E820	C819-G822 PolarHBondContact O-N 3.07Å; E820-G822 PolarHBondContact O-N 3.36Å
823	K	70.3	Confident	65.8	Low	130 Å²	130	79.8 Å²	79.8	57%	0.565	43%	0.425	S	S	*	.			trans	-90.2	129.3	-179.2	-67.9	-178.9	179.2	177.8	0	111.3	C819 C821 F825	C819-K823 WeakPolarHBondContact CB-O 3.44Å; C819-K823 PolarHBondContact N-O 3.14Å; C821-K823 PolarHBondContact O-N 3.34Å; C821-K823 VanDerWaalsContact O-N 3.1Å; K823-F825 HydrophobicContact CB-CE2 3.99Å; K823-F825 HydrophobicContact CB-CZ 3.92Å; K823-F825 WeakPolarHBondContact O-CE2 3.28Å
824	S	64.8	Low	66.5	Low	33 Å²	33	78.2 Å²	78.2	23%	0.231	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	151.1	-175	-56.6	0	0	0	0	112.3	Q815 N818	Q815-S824 PolarHBondContact NE2-O 3Å; Q815-S824 PolarHBondContact OE1-O 2.94Å; Q815-S824 VanDerWaalsContact OE1-O 3.14Å; N818-S824 WeakPolarHBondContact OD1-CB 3.3Å; N818-S824 PolarHBondContact OD1-OG 3.23Å
825	F	71.3	Confident	67.1	Low	39 Å²	39	75.3 Å²	75.3	17%	0.171	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.6	-171	-56.7	-81.8	0	0	0	113	P816 Y817 C819 K823 Y827 V830 L831 H834	P816-F825 WeakPolarHBondContact CD-O 3.41Å; Y817-F825 WeakPolarHBondContact CB-O 3.26Å; Y817-F825 PolarHBondContact N-O 3.32Å; Y817-F825 PolarHBondContact O-N 3.1Å; C819-F825 HydrophobicContact CB-CE2 4.45Å; K823-F825 HydrophobicContact CB-CE2 3.99Å; K823-F825 HydrophobicContact CB-CZ 3.92Å; K823-F825 WeakPolarHBondContact O-CE2 3.28Å; F825-Y827 VanDerWaalsContact C-N 3.26Å; F825-Y827 PolarHBondContact O-N 2.67Å; F825-V830 HydrophobicContact CB-CB 4.43Å; F825-V830 HydrophobicContact CB-CG1 4.44Å; F825-V830 HydrophobicContact CD1-CB 4.38Å; F825-V830 HydrophobicContact CD1-CG1 3.53Å; F825-V830 HydrophobicContact CE1-CG1 4.08Å; F825-V830 HydrophobicContact CG-CG1 4.14Å; F825-L831 HydrophobicContact CD2-CB 4.02Å; F825-L831 HydrophobicContact CD2-CD1 3.93Å; F825-L831 HydrophobicContact CE2-CD1 4.15Å; F825-H834 HydrophobicContact CE1-CB 4.4Å; F825-H834 HydrophobicContact CE2-CB 3.89Å; F825-H834 AromaticContact CE2-CD2 3.44Å; F825-H834 VanDerWaalsContact CE2-CD2 3.44Å; F825-H834 WeakPolarHBondContact CE2-CD2 3.36Å; F825-H834 AromaticContact CE2-CG 3.7Å; F825-H834 HydrophobicContact CZ-CB 3.71Å; F825-H834 AromaticContact CZ-CD2 3.51Å; F825-H834 AromaticContact CZ-CG 3.4Å; F825-H834 AromaticContact CZ-ND1 3.87Å
826	N	61.5	Low	67.8	Low	43 Å²	43	73.7 Å²	73.7	23%	0.23	38%	0.38	C	S	.	.	S	Bend	trans	-75.9	-15.2	178.6	-56.5	-1.2	0	0	0	112.6	Q815	Q815-N826 WeakPolarHBondContact CG-OD1 3.46Å; Q815-N826 PolarHBondContact NE2-OD1 2.85Å
827	Y	60.8	Low	68.3	Low	102 Å²	102	74.9 Å²	74.9	40%	0.4	38%	0.381	S	S	.	.			trans	-136	129.9	-174.7	-57.6	-72.6	0	0	0	112	N806 Y817 F825 S829 V830 L831	N806-Y827 HydrophobicContact CB-CE1 3.96Å; Y817-Y827 VanDerWaalsContact CD2-C 3.44Å; F825-Y827 VanDerWaalsContact C-N 3.26Å; F825-Y827 PolarHBondContact O-N 2.67Å; Y827-S829 PolarHBondContact O-N 2.79Å; Y827-V830 HydrophobicContact CD2-CG2 4.25Å; Y827-V830 PolarHBondContact O-N 2.95Å; Y827-L831 PolarHBondContact O-N 2.93Å; Y827-L831 VanDerWaalsContact O-N 3.12Å
828	R	63.3	Low	68.6	Low	185 Å²	185	75.8 Å²	75.8	70%	0.698	39%	0.388	S	S	*	.	H	α-helix	trans	-59.1	-30	178	-166.6	174.7	-179.4	168.1	3.7	113.4	Y817 L831 D832	Y817-R828 HydrophobicContact CD1-CB 3.84Å; Y817-R828 HydrophobicContact CD1-CG 4.05Å; Y817-R828 HydrophobicContact CD2-CB 4.18Å; Y817-R828 HydrophobicContact CE1-CB 3.77Å; Y817-R828 HydrophobicContact CE1-CG 4.13Å; Y817-R828 HydrophobicContact CE2-CB 4.08Å; Y817-R828 HydrophobicContact CG-CB 4.05Å; R828-L831 PolarHBondContact O-N 2.84Å; R828-D832 WeakPolarHBondContact O-CB 3.39Å; R828-D832 PolarHBondContact O-N 3.37Å
829	S	62.6	Low	68.6	Low	84 Å²	84	75.6 Å²	75.6	59%	0.587	39%	0.391	S	S	*	.	H	α-helix	trans	-67.9	-32.6	173.8	47.2	0	0	0	0	113	Y827 Q833	Y827-S829 PolarHBondContact O-N 2.79Å; S829-Q833 VanDerWaalsContact O-CB 3.22Å; S829-Q833 WeakPolarHBondContact O-CB 3.39Å; S829-Q833 PolarHBondContact O-N 2.96Å
830	V	67.9	Low	68.3	Low	52 Å²	52	77.6 Å²	77.6	32%	0.315	41%	0.413	S	S	.	.	H	α-helix	trans	-77	-36.5	176.2	-178.6	0	0	0	0	110.2	F825 Y827 Q833 H834	F825-V830 HydrophobicContact CB-CB 4.43Å; F825-V830 HydrophobicContact CB-CG1 4.44Å; F825-V830 HydrophobicContact CD1-CB 4.38Å; F825-V830 HydrophobicContact CD1-CG1 3.53Å; F825-V830 HydrophobicContact CE1-CG1 4.08Å; F825-V830 HydrophobicContact CG-CG1 4.14Å; Y827-V830 HydrophobicContact CD2-CG2 4.25Å; Y827-V830 PolarHBondContact O-N 2.95Å; V830-Q833 PolarHBondContact O-N 3.3Å; V830-H834 VanDerWaalsContact O-CB 3.27Å; V830-H834 WeakPolarHBondContact O-CB 3.26Å; V830-H834 PolarHBondContact O-N 2.92Å
831	L	72.6	Confident	68.4	Low	21 Å²	21	78 Å²	78	11%	0.11	41%	0.407	C	S	.	.	H	α-helix	trans	-60.7	-47	168.5	174.4	63.1	0	0	0	111.9	N818 C819 F825 Y827 R828 Q833 H834 K835	N818-L831 WeakPolarHBondContact O-CD1 3.43Å; N818-L831 VanDerWaalsContact O-CD2 3.31Å; N818-L831 WeakPolarHBondContact O-CD2 3.37Å; C819-L831 HydrophobicContact CB-CD1 3.49Å; C819-L831 VanDerWaalsContact CB-CD1 3.49Å; F825-L831 HydrophobicContact CD2-CB 4.02Å; F825-L831 HydrophobicContact CD2-CD1 3.93Å; F825-L831 HydrophobicContact CE2-CD1 4.15Å; Y827-L831 PolarHBondContact O-N 2.93Å; Y827-L831 VanDerWaalsContact O-N 3.12Å; R828-L831 PolarHBondContact O-N 2.84Å; L831-Q833 VanDerWaalsContact C-N 3.34Å; L831-Q833 PolarHBondContact O-N 3.08Å; L831-H834 WeakPolarHBondContact O-CB 3.37Å; L831-H834 PolarHBondContact O-N 2.84Å; L831-H834 VanDerWaalsContact O-N 3.12Å; L831-K835 HydrophobicContact CD1-CD 4.48Å; L831-K835 HydrophobicContact CD1-CG 4.28Å; L831-K835 PolarHBondContact O-N 2.89Å
832	D	67.4	Low	68.6	Low	82 Å²	82	81.2 Å²	81.2	44%	0.439	42%	0.415	S	S	.	.	H	α-helix	trans	-62.6	-40.8	177.1	-177.5	84.6	0	0	0	111.9	R828 H834 K835 R836	R828-D832 WeakPolarHBondContact O-CB 3.39Å; R828-D832 PolarHBondContact O-N 3.37Å; D832-H834 VanDerWaalsContact C-N 3.31Å; D832-H834 PolarHBondContact O-N 2.9Å; D832-K835 PolarHBondContact O-N 3.14Å; D832-R836 WeakPolarHBondContact O-CG 3.21Å; D832-R836 PolarHBondContact O-N 3.1Å; D832-R836 IonicContact OD2-CZ 2.61Å; D832-R836 VanDerWaalsContact OD2-CZ 3.29Å; D832-R836 IonicContact OD2-NE 3.29Å; D832-R836 PolarHBondContact OD2-NE 3.28Å; D832-R836 VanDerWaalsContact OD2-NE 3.13Å; D832-R836 IonicContact OD2-NH2 3.13Å; D832-R836 PolarHBondContact OD2-NH2 3.46Å
833	Q	68.9	Low	68.9	Low	71 Å²	71	80.8 Å²	80.8	33%	0.332	40%	0.399	S	S	.	.	H	α-helix	trans	-61.5	-37.5	171.6	176.7	175.2	-40.4	0	0	112.6	S829 V830 L831 R836 I855	S829-Q833 VanDerWaalsContact O-CB 3.22Å; S829-Q833 WeakPolarHBondContact O-CB 3.39Å; S829-Q833 PolarHBondContact O-N 2.96Å; V830-Q833 PolarHBondContact O-N 3.3Å; L831-Q833 VanDerWaalsContact C-N 3.34Å; L831-Q833 PolarHBondContact O-N 3.08Å; Q833-R836 WeakPolarHBondContact O-CB 3.45Å; Q833-R836 PolarHBondContact O-N 3.2Å; Q833-I855 HydrophobicContact CG-CD1 4.34Å; Q833-I855 HydrophobicContact CG-CG1 3.84Å
834	H	74.5	Confident	69.2	Low	24 Å²	24	77.4 Å²	77.4	11%	0.111	38%	0.383	C	S	.	.	H	α-helix	trans	-72.9	-39.8	177.6	179.7	63.9	0	0	0	112.3	C821 F825 V830 L831 D832 R836 I837 H838	C821-H834 PolarHBondContact SG-NE2 2.99Å; F825-H834 HydrophobicContact CE1-CB 4.4Å; F825-H834 HydrophobicContact CE2-CB 3.89Å; F825-H834 AromaticContact CE2-CD2 3.44Å; F825-H834 VanDerWaalsContact CE2-CD2 3.44Å; F825-H834 WeakPolarHBondContact CE2-CD2 3.36Å; F825-H834 AromaticContact CE2-CG 3.7Å; F825-H834 HydrophobicContact CZ-CB 3.71Å; F825-H834 AromaticContact CZ-CD2 3.51Å; F825-H834 AromaticContact CZ-CG 3.4Å; F825-H834 AromaticContact CZ-ND1 3.87Å; V830-H834 VanDerWaalsContact O-CB 3.27Å; V830-H834 WeakPolarHBondContact O-CB 3.26Å; V830-H834 PolarHBondContact O-N 2.92Å; L831-H834 WeakPolarHBondContact O-CB 3.37Å; L831-H834 PolarHBondContact O-N 2.84Å; L831-H834 VanDerWaalsContact O-N 3.12Å; D832-H834 VanDerWaalsContact C-N 3.31Å; D832-H834 PolarHBondContact O-N 2.9Å; H834-R836 PolarHBondContact O-N 2.87Å; H834-R836 VanDerWaalsContact O-N 3.17Å; H834-I837 VanDerWaalsContact O-CB 3.25Å; H834-I837 WeakPolarHBondContact O-CB 3.23Å; H834-I837 WeakPolarHBondContact O-CG1 3.22Å; H834-I837 PolarHBondContact O-N 2.79Å; H834-H838 AromaticContact CD2-NE2 3.68Å; H834-H838 AromaticContact CE1-NE2 3.62Å; H834-H838 AromaticContact NE2-CD2 3.95Å; H834-H838 AromaticContact NE2-CE1 3.89Å; H834-H838 AromaticContact NE2-NE2 3.03Å; H834-H838 PolarHBondContact NE2-NE2 3.03Å
835	K	70.4	Confident	69.8	Low	67 Å²	67	84.5 Å²	84.5	29%	0.291	41%	0.405	S	S	.	.	H	α-helix	trans	-61.7	-21.1	173.8	-78.1	-174.3	173.2	-113.7	0	113.7	E820 L831 D832 I837 T839	E820-K835 IonicContact OE1-NZ 2.82Å; E820-K835 PolarHBondContact OE1-NZ 3.13Å; E820-K835 IonicContact OE2-NZ 2.67Å; E820-K835 PolarHBondContact OE2-NZ 3.36Å; L831-K835 HydrophobicContact CD1-CD 4.48Å; L831-K835 HydrophobicContact CD1-CG 4.28Å; L831-K835 PolarHBondContact O-N 2.89Å; D832-K835 PolarHBondContact O-N 3.14Å; K835-I837 PolarHBondContact O-N 2.87Å; K835-T839 PolarHBondContact O-N 3.45Å; K835-T839 VanDerWaalsContact O-N 3.12Å; K835-T839 PolarHBondContact O-OG1 2.87Å
836	R	77.2	Confident	70.1	Confident	50 Å²	50	82.8 Å²	82.8	19%	0.189	40%	0.398	C	S	.	.	H	α-helix	trans	-71.9	-14	170.1	-63.7	166.7	-161.4	-158.8	1	114.1	D832 Q833 H834 T839 G840 R841 Y844 N854	D832-R836 WeakPolarHBondContact O-CG 3.21Å; D832-R836 PolarHBondContact O-N 3.1Å; D832-R836 IonicContact OD2-CZ 2.61Å; D832-R836 VanDerWaalsContact OD2-CZ 3.29Å; D832-R836 IonicContact OD2-NE 3.29Å; D832-R836 PolarHBondContact OD2-NE 3.28Å; D832-R836 VanDerWaalsContact OD2-NE 3.13Å; D832-R836 IonicContact OD2-NH2 3.13Å; D832-R836 PolarHBondContact OD2-NH2 3.46Å; Q833-R836 WeakPolarHBondContact O-CB 3.45Å; Q833-R836 PolarHBondContact O-N 3.2Å; H834-R836 PolarHBondContact O-N 2.87Å; H834-R836 VanDerWaalsContact O-N 3.17Å; R836-T839 WeakPolarHBondContact CA-OG1 3.39Å; R836-G840 CarbonylContact O-C 3.13Å; R836-G840 PolarHBondContact O-N 3.08Å; R836-R841 PolarHBondContact O-N 2.81Å; R836-Y844 PolarHBondContact NH1-OH 3.18Å; R836-N854 PolarHBondContact NH1-O 3.5Å
837	I	70.3	Confident	70.8	Confident	103 Å²	103	87.7 Å²	87.7	53%	0.528	42%	0.424	S	S	.	.	H	α-helix	trans	-76.2	-54.6	171.8	-54.3	178.5	0	0	0	108.4	H834 K835 T839 G840	H834-I837 VanDerWaalsContact O-CB 3.25Å; H834-I837 WeakPolarHBondContact O-CB 3.23Å; H834-I837 WeakPolarHBondContact O-CG1 3.22Å; H834-I837 PolarHBondContact O-N 2.79Å; K835-I837 PolarHBondContact O-N 2.87Å; I837-T839 VanDerWaalsContact C-N 3.27Å; I837-T839 PolarHBondContact O-N 2.89Å; I837-G840 PolarHBondContact O-N 3.46Å
838	H	72.7	Confident	71.4	Confident	107 Å²	107	87.8 Å²	87.8	50%	0.495	43%	0.428	S	S	.	.	H	α-helix	trans	-58.1	-35.7	177.2	-58.3	-53.8	0	0	0	113.7	C821 H834	C821-H838 VanDerWaalsContact SG-CE1 3.56Å; C821-H838 PolarHBondContact SG-NE2 3.12Å; H834-H838 AromaticContact CD2-NE2 3.68Å; H834-H838 AromaticContact CE1-NE2 3.62Å; H834-H838 AromaticContact NE2-CD2 3.95Å; H834-H838 AromaticContact NE2-CE1 3.89Å; H834-H838 AromaticContact NE2-NE2 3.03Å; H834-H838 PolarHBondContact NE2-NE2 3.03Å
839	T	66.6	Low	72.2	Confident	99 Å²	99	81.5 Å²	81.5	61%	0.607	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	4.5	178.3	55	0	0	0	0	114.1	K835 R836 I837 R841	K835-T839 PolarHBondContact O-N 3.45Å; K835-T839 VanDerWaalsContact O-N 3.12Å; K835-T839 PolarHBondContact O-OG1 2.87Å; R836-T839 WeakPolarHBondContact CA-OG1 3.39Å; I837-T839 VanDerWaalsContact C-N 3.27Å; I837-T839 PolarHBondContact O-N 2.89Å; T839-R841 PolarHBondContact O-N 2.84Å
840	G	68.1	Low	72.8	Confident	50 Å²	50	79.4 Å²	79.4	52%	0.515	40%	0.403	S	S	.	.			trans	59.4	2.5	-177.2	0	0	0	0	0	116.1	R836 I837 K842	R836-G840 CarbonylContact O-C 3.13Å; R836-G840 PolarHBondContact O-N 3.08Å; I837-G840 PolarHBondContact O-N 3.46Å; G840-K842 PolarHBondContact O-N 3.06Å
841	R	69.3	Low	73.3	Confident	170 Å²	170	83 Å²	83	64%	0.642	42%	0.415	S	S	*	.			trans	-73.6	114.5	-161.3	-162.8	176.8	-174	-132.3	1.4	111.6	R836 T839 P843	R836-R841 PolarHBondContact O-N 2.81Å; T839-R841 PolarHBondContact O-N 2.84Å; R841-P843 VanDerWaalsContact C-CD 3.44Å; R841-P843 WeakPolarHBondContact O-CD 3.25Å
842	K	75.5	Confident	73.5	Confident	126 Å²	126	83.7 Å²	83.7	55%	0.548	42%	0.423	S	S	.	.			trans	-106.8	74.9	179.6	-70	164.9	175.2	178.8	0	111.9	G840 Y844 A852 F853	G840-K842 PolarHBondContact O-N 3.06Å; K842-Y844 VanDerWaalsContact C-N 3.28Å; K842-Y844 PolarHBondContact O-N 3.35Å; K842-A852 HydrophobicContact CB-CB 3.78Å; K842-A852 HydrophobicContact CD-CB 4.32Å; K842-A852 WeakPolarHBondContact CD-O 3.41Å; K842-F853 CarbonylContact C-O 3.22Å; K842-F853 VanDerWaalsContact CA-O 3.32Å; K842-F853 WeakPolarHBondContact CA-O 3.23Å
843	P	71.9	Confident	74	Confident	58 Å²	58	81.9 Å²	81.9	38%	0.377	41%	0.412	S	S	.	.			trans	-76.4	-3.9	-171.4	33.2	-39.2	0	0	0	115.2	R841	R841-P843 VanDerWaalsContact C-CD 3.44Å; R841-P843 WeakPolarHBondContact O-CD 3.25Å
844	Y	76.1	Confident	74.1	Confident	60 Å²	60	80.6 Å²	80.6	24%	0.235	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	93.4	-178.7	-52.5	-62.6	0	0	0	110	R836 K842 F853 N854 I855 R856	R836-Y844 PolarHBondContact NH1-OH 3.18Å; K842-Y844 VanDerWaalsContact C-N 3.28Å; K842-Y844 PolarHBondContact O-N 3.35Å; Y844-F853 PolarHBondContact N-O 3.05Å; Y844-F853 PolarHBondContact O-N 2.79Å; Y844-N854 WeakPolarHBondContact CE2-O 3.2Å; Y844-I855 VanDerWaalsContact CD2-C 3.41Å; Y844-R856 HydrophobicContact CD1-CB 4.21Å; Y844-R856 HydrophobicContact CD1-CG 4.39Å; Y844-R856 HydrophobicContact CD2-CB 4.07Å; Y844-R856 VanDerWaalsContact CD2-N 3.27Å; Y844-R856 HydrophobicContact CE1-CB 4.1Å; Y844-R856 HydrophobicContact CE1-CG 4.46Å; Y844-R856 HydrophobicContact CE2-CB 3.92Å; Y844-R856 VanDerWaalsContact CE2-N 3.3Å; Y844-R856 HydrophobicContact CG-CB 4.21Å
845	R	76.2	Confident	74.2	Confident	182 Å²	182	81 Å²	81	69%	0.687	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	150.5	173.4	-64.5	-165.3	-179.6	-151	2.8	111.6	K851 A852 L859	R845-K851 CarbonylContact C-O 3.54Å; R845-K851 WeakPolarHBondContact CA-O 3.27Å; R845-A852 HydrophobicContact CG-CB 3.94Å; R845-L859 VanDerWaalsContact O-CD2 3.29Å; R845-L859 WeakPolarHBondContact O-CD2 3.49Å
846	C	78.8	Confident	74.3	Confident	2 Å²	2	85.7 Å²	85.7	1%	0.014	43%	0.426	C	S	.	.			trans	-86.7	130.3	167.8	-155.3	0	0	0	0	109.9	E848 G850 K851 L859	C846-E848 PolarHBondContact SG-OE2 2.76Å; C846-G850 WeakPolarHBondContact O-CA 3.45Å; C846-G850 PolarHBondContact O-N 2.9Å; C846-K851 PolarHBondContact N-O 2.91Å; C846-L859 HydrophobicContact CB-CD1 3.58Å
847	N	76.1	Confident	74.1	Confident	146 Å²	146	86.4 Å²	86.4	78%	0.781	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-33.3	-179.5	-64.8	19.3	0	0	0	111.6
848	E	74.1	Confident	74.4	Confident	104 Å²	104	84.5 Å²	84.5	49%	0.486	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-32.6	-179.3	-63.9	82.9	-122.2	0	0	114	C846 K863 H866	C846-E848 PolarHBondContact SG-OE2 2.76Å; E848-K863 IonicContact OE1-NZ 2.6Å; E848-K863 PolarHBondContact OE1-NZ 3.31Å; E848-K863 IonicContact OE2-NZ 2.67Å; E848-K863 PolarHBondContact OE2-NZ 2.97Å; E848-H866 IonicContact OE2-CD2 3.45Å; E848-H866 PolarHBondContact OE2-CD2 2.97Å
849	C	79.9	Confident	74.6	Confident	53 Å²	53	80.2 Å²	80.2	36%	0.358	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.3	20	-173.9	84.8	0	0	0	0	115	K851 H862 H866	C849-K851 PolarHBondContact O-N 3.28Å; C849-H862 PolarHBondContact SG-NE2 3.44Å; C849-H866 PolarHBondContact SG-CE1 3.28Å; C849-H866 PolarHBondContact SG-NE2 2.77Å
850	G	74.8	Confident	74.9	Confident	40 Å²	40	78.7 Å²	78.7	41%	0.412	40%	0.4	S	S	.	.			trans	69.4	-21.4	174.6	0	0	0	0	0	117.6	C846 A852	C846-G850 WeakPolarHBondContact O-CA 3.45Å; C846-G850 PolarHBondContact O-N 2.9Å; G850-A852 PolarHBondContact O-N 2.91Å
851	K	79	Confident	75.2	Confident	129 Å²	129	83.8 Å²	83.8	56%	0.561	41%	0.408	S	S	*	.			trans	-52.4	131.5	-172.1	-73	178.9	-176.8	175.1	0	112.3	R845 C846 C849 F853	R845-K851 CarbonylContact C-O 3.54Å; R845-K851 WeakPolarHBondContact CA-O 3.27Å; C846-K851 PolarHBondContact N-O 2.91Å; C849-K851 PolarHBondContact O-N 3.28Å; K851-F853 HydrophobicContact CB-CE2 3.83Å; K851-F853 HydrophobicContact CB-CZ 4.09Å; K851-F853 WeakPolarHBondContact O-CD2 3.49Å; K851-F853 WeakPolarHBondContact O-CE2 3.46Å; K851-F853 VanDerWaalsContact O-CE2 3.3Å
852	A	76	Confident	75.6	Confident	34 Å²	34	76.6 Å²	76.6	28%	0.281	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133	-169.9	0	0	0	0	0	112.9	K842 R845 G850	K842-A852 HydrophobicContact CB-CB 3.78Å; K842-A852 HydrophobicContact CD-CB 4.32Å; K842-A852 WeakPolarHBondContact CD-O 3.41Å; R845-A852 HydrophobicContact CG-CB 3.94Å; G850-A852 PolarHBondContact O-N 2.91Å
853	F	78	Confident	75.4	Confident	44 Å²	44	73.9 Å²	73.9	19%	0.193	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	145.4	-175	-58.1	-92.2	0	0	0	111.9	K842 Y844 K851 N858 L859 H862	K842-F853 CarbonylContact C-O 3.22Å; K842-F853 VanDerWaalsContact CA-O 3.32Å; K842-F853 WeakPolarHBondContact CA-O 3.23Å; Y844-F853 PolarHBondContact N-O 3.05Å; Y844-F853 PolarHBondContact O-N 2.79Å; K851-F853 HydrophobicContact CB-CE2 3.83Å; K851-F853 HydrophobicContact CB-CZ 4.09Å; K851-F853 WeakPolarHBondContact O-CD2 3.49Å; K851-F853 WeakPolarHBondContact O-CE2 3.46Å; K851-F853 VanDerWaalsContact O-CE2 3.3Å; F853-N858 HydrophobicContact CD1-CB 3.86Å; F853-N858 HydrophobicContact CB-CB 4.47Å; F853-N858 HydrophobicContact CG-CB 4.44Å; F853-L859 HydrophobicContact CB-CB 4.32Å; F853-L859 HydrophobicContact CD2-CB 3.95Å; F853-L859 HydrophobicContact CD2-CD1 3.98Å; F853-L859 HydrophobicContact CE2-CD1 4.15Å; F853-L859 HydrophobicContact CG-CB 4.26Å; F853-H862 WeakPolarHBondContact CE2-CD2 3.47Å; F853-H862 VanDerWaalsContact CZ-CG 3.48Å; F853-H862 AromaticContact CZ-CG 3.48Å; F853-H862 WeakPolarHBondContact CZ-CD2 3.41Å; F853-H862 AromaticContact CZ-CD2 3.36Å; F853-H862 HydrophobicContact CZ-CB 3.59Å; F853-H862 AromaticContact CE2-CG 3.86Å; F853-H862 AromaticContact CE2-CD2 3.29Å; F853-H862 HydrophobicContact CE2-CB 4.06Å; F853-H862 HydrophobicContact CE1-CB 4.16Å
854	N	71.9	Confident	75.5	Confident	44 Å²	44	78.3 Å²	78.3	24%	0.235	38%	0.379	C	S	.	.	S	Bend	trans	-76.3	-27.9	174	53.4	-4.6	0	0	0	112.9	R836 Y844	R836-N854 PolarHBondContact NH1-O 3.5Å; Y844-N854 WeakPolarHBondContact CE2-O 3.2Å
855	I	75	Confident	75.3	Confident	32 Å²	32	80.3 Å²	80.3	16%	0.164	40%	0.398	C	S	.	.	S	Bend	trans	-123.4	133	-174.3	-48.5	160	0	0	0	110.4	Q833 Y844 S857 N858 L859	Q833-I855 HydrophobicContact CG-CD1 4.34Å; Q833-I855 HydrophobicContact CG-CG1 3.84Å; Y844-I855 VanDerWaalsContact CD2-C 3.41Å; I855-S857 PolarHBondContact O-N 3.25Å; I855-S857 WeakPolarHBondContact CG2-OG 3.44Å; I855-S857 VanDerWaalsContact C-N 3.34Å; I855-N858 PolarHBondContact O-N 3.18Å; I855-N858 VanDerWaalsContact O-N 3.13Å; I855-L859 PolarHBondContact O-N 2.76Å
856	R	72.6	Confident	75.2	Confident	167 Å²	167	75.4 Å²	75.4	63%	0.63	38%	0.383	S	S	*	.	H	α-helix	trans	-64.8	-34	-176.3	-170.8	176.9	176.4	109.5	-1.9	113	Y844 N858 L859 T860	Y844-R856 HydrophobicContact CD1-CB 4.21Å; Y844-R856 HydrophobicContact CD1-CG 4.39Å; Y844-R856 HydrophobicContact CD2-CB 4.07Å; Y844-R856 VanDerWaalsContact CD2-N 3.27Å; Y844-R856 HydrophobicContact CE1-CB 4.1Å; Y844-R856 HydrophobicContact CE1-CG 4.46Å; Y844-R856 HydrophobicContact CE2-CB 3.92Å; Y844-R856 VanDerWaalsContact CE2-N 3.3Å; Y844-R856 HydrophobicContact CG-CB 4.21Å; R856-N858 PolarHBondContact O-N 3.19Å; R856-L859 PolarHBondContact O-N 2.95Å; R856-T860 PolarHBondContact O-N 3.1Å; R856-T860 PolarHBondContact O-OG1 3.04Å
857	S	73.1	Confident	74.5	Confident	65 Å²	65	79.5 Å²	79.5	46%	0.455	41%	0.408	S	S	.	.	H	α-helix	trans	-59.8	-33.6	174.7	54.2	0	0	0	0	112.8	I855 T860 K861	I855-S857 PolarHBondContact O-N 3.25Å; I855-S857 WeakPolarHBondContact CG2-OG 3.44Å; I855-S857 VanDerWaalsContact C-N 3.34Å; S857-T860 PolarHBondContact O-N 2.9Å; S857-K861 PolarHBondContact O-N 3.18Å
858	N	77.5	Confident	73.6	Confident	62 Å²	62	75.8 Å²	75.8	33%	0.332	40%	0.404	S	S	.	.	H	α-helix	trans	-76.3	-37.3	-178.4	-63.2	13.7	0	0	0	110.2	F853 I855 R856 K861 H862	F853-N858 HydrophobicContact CD1-CB 3.86Å; F853-N858 HydrophobicContact CB-CB 4.47Å; F853-N858 HydrophobicContact CG-CB 4.44Å; I855-N858 PolarHBondContact O-N 3.18Å; I855-N858 VanDerWaalsContact O-N 3.13Å; R856-N858 PolarHBondContact O-N 3.19Å; N858-K861 PolarHBondContact O-N 2.98Å; N858-H862 VanDerWaalsContact O-CB 3.29Å; N858-H862 WeakPolarHBondContact O-CB 3.4Å; N858-H862 PolarHBondContact O-N 3.15Å
859	L	76.3	Confident	72.4	Confident	18 Å²	18	77.7 Å²	77.7	9%	0.094	41%	0.413	C	S	.	.	H	α-helix	trans	-60.9	-42.3	165.8	174.7	61.8	0	0	0	111.6	R845 C846 F853 I855 R856 H862 K863	R845-L859 VanDerWaalsContact O-CD2 3.29Å; R845-L859 WeakPolarHBondContact O-CD2 3.49Å; C846-L859 HydrophobicContact CB-CD1 3.58Å; F853-L859 HydrophobicContact CB-CB 4.32Å; F853-L859 HydrophobicContact CD2-CB 3.95Å; F853-L859 HydrophobicContact CD2-CD1 3.98Å; F853-L859 HydrophobicContact CE2-CD1 4.15Å; F853-L859 HydrophobicContact CG-CB 4.26Å; I855-L859 PolarHBondContact O-N 2.76Å; R856-L859 PolarHBondContact O-N 2.95Å; L859-H862 PolarHBondContact O-N 3.29Å; L859-K863 PolarHBondContact O-N 2.88Å; L859-K863 WeakPolarHBondContact O-CG 3.43Å; L859-K863 HydrophobicContact CG-CG 4.48Å; L859-K863 HydrophobicContact CD1-CG 4.06Å; L859-K863 HydrophobicContact CG-CD 4.36Å; L859-K863 HydrophobicContact CD1-CD 4.29Å
860	T	73.1	Confident	70.5	Confident	67 Å²	67	84.1 Å²	84.1	41%	0.411	44%	0.438	S	S	.	.	H	α-helix	trans	-66	-39	178.1	-59.4	0	0	0	0	112.6	R856 S857	R856-T860 PolarHBondContact O-N 3.1Å; R856-T860 PolarHBondContact O-OG1 3.04Å; S857-T860 PolarHBondContact O-N 2.9Å
861	K	74.4	Confident	68.7	Low	156 Å²	156	87.7 Å²	87.7	68%	0.678	46%	0.456	S	S	*	.	H	α-helix	trans	-62.7	-46.7	170.7	-77	-170.7	173.4	-166.8	0	111.2	S857 N858 K863 R864	S857-K861 PolarHBondContact O-N 3.18Å; N858-K861 PolarHBondContact O-N 2.98Å; K861-K863 PolarHBondContact O-N 3.16Å; K861-R864 WeakPolarHBondContact O-CB 3.45Å; K861-R864 PolarHBondContact O-N 3.3Å; K861-R864 VanDerWaalsContact O-N 3.15Å
862	H	77.3	Confident	66.5	Low	19 Å²	19	89.6 Å²	89.6	9%	0.088	47%	0.472	C	S	.	.	H	α-helix	trans	-63.7	-37.3	178.8	172	45.2	0	0	0	113.2	C849 F853 N858 L859 R864 T865 H866	C849-H862 PolarHBondContact SG-NE2 3.44Å; F853-H862 WeakPolarHBondContact CE2-CD2 3.47Å; F853-H862 VanDerWaalsContact CZ-CG 3.48Å; F853-H862 AromaticContact CZ-CG 3.48Å; F853-H862 WeakPolarHBondContact CZ-CD2 3.41Å; F853-H862 AromaticContact CZ-CD2 3.36Å; F853-H862 HydrophobicContact CZ-CB 3.59Å; F853-H862 AromaticContact CE2-CG 3.86Å; F853-H862 AromaticContact CE2-CD2 3.29Å; F853-H862 HydrophobicContact CE2-CB 4.06Å; F853-H862 HydrophobicContact CE1-CB 4.16Å; N858-H862 VanDerWaalsContact O-CB 3.29Å; N858-H862 WeakPolarHBondContact O-CB 3.4Å; N858-H862 PolarHBondContact O-N 3.15Å; L859-H862 PolarHBondContact O-N 3.29Å; H862-R864 PolarHBondContact O-N 3.01Å; H862-T865 PolarHBondContact ND1-OG1 2.79Å; H862-T865 PolarHBondContact O-N 2.81Å; H862-T865 PolarHBondContact O-OG1 3.26Å; H862-H866 AromaticContact CE1-CE1 3.49Å; H862-H866 VanDerWaalsContact NE2-NE2 3.18Å; H862-H866 PolarHBondContact NE2-NE2 3.15Å; H862-H866 AromaticContact NE2-NE2 3.18Å; H862-H866 AromaticContact NE2-CE1 3.92Å; H862-H866 PolarHBondContact CE1-NE2 2.8Å; H862-H866 AromaticContact CE1-NE2 3.13Å; H862-H866 VanDerWaalsContact CE1-CE1 3.49Å; H862-H866 PolarHBondContact CE1-CE1 2.83Å
863	K	70.9	Confident	64.4	Low	69 Å²	69	93 Å²	93	30%	0.3	49%	0.493	S	S	.	.	H	α-helix	trans	-60.5	-26.4	175.1	-81	-175.8	138.9	-68	0	113.2	E848 L859 K861 T865 H866	E848-K863 IonicContact OE1-NZ 2.6Å; E848-K863 PolarHBondContact OE1-NZ 3.31Å; E848-K863 IonicContact OE2-NZ 2.67Å; E848-K863 PolarHBondContact OE2-NZ 2.97Å; L859-K863 PolarHBondContact O-N 2.88Å; L859-K863 WeakPolarHBondContact O-CG 3.43Å; L859-K863 HydrophobicContact CG-CG 4.48Å; L859-K863 HydrophobicContact CD1-CG 4.06Å; L859-K863 HydrophobicContact CG-CD 4.36Å; L859-K863 HydrophobicContact CD1-CD 4.29Å; K861-K863 PolarHBondContact O-N 3.16Å; K863-T865 VanDerWaalsContact C-N 3.34Å; K863-H866 PolarHBondContact O-N 3.18Å
864	R	74.2	Confident	62	Low	151 Å²	151	97.5 Å²	97.5	57%	0.57	52%	0.524	S	S	*	.	H	α-helix	trans	-72.3	-25.3	172.7	-62.7	175.3	-177.8	179.8	-4.6	113.2	K861 H862 H866 T867 G868	K861-R864 WeakPolarHBondContact O-CB 3.45Å; K861-R864 PolarHBondContact O-N 3.3Å; K861-R864 VanDerWaalsContact O-N 3.15Å; H862-R864 PolarHBondContact O-N 3.01Å; R864-H866 PolarHBondContact O-N 3.21Å; R864-T867 WeakPolarHBondContact CA-OG1 3.47Å; R864-T867 PolarHBondContact O-N 2.68Å; R864-T867 VanDerWaalsContact O-N 3.15Å; R864-T867 PolarHBondContact O-OG1 3.24Å; R864-G868 PolarHBondContact O-N 3.24Å
865	T	71.9	Confident	60	Low	103 Å²	103	102.4 Å²	102.4	63%	0.632	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-7.1	173.5	74.9	0	0	0	0	112.9	H862 K863	H862-T865 PolarHBondContact ND1-OG1 2.79Å; H862-T865 PolarHBondContact O-N 2.81Å; H862-T865 PolarHBondContact O-OG1 3.26Å; K863-T865 VanDerWaalsContact C-N 3.34Å
866	H	74.3	Confident	57.6	Low	79 Å²	79	111 Å²	111	37%	0.366	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.6	-11.6	170.8	-61.8	-47.7	0	0	0	113.2	E848 C849 H862 K863 R864	E848-H866 IonicContact OE2-CD2 3.45Å; E848-H866 PolarHBondContact OE2-CD2 2.97Å; C849-H866 PolarHBondContact SG-CE1 3.28Å; C849-H866 PolarHBondContact SG-NE2 2.77Å; H862-H866 AromaticContact CE1-CE1 3.49Å; H862-H866 VanDerWaalsContact NE2-NE2 3.18Å; H862-H866 PolarHBondContact NE2-NE2 3.15Å; H862-H866 AromaticContact NE2-NE2 3.18Å; H862-H866 AromaticContact NE2-CE1 3.92Å; H862-H866 PolarHBondContact CE1-NE2 2.8Å; H862-H866 AromaticContact CE1-NE2 3.13Å; H862-H866 VanDerWaalsContact CE1-CE1 3.49Å; H862-H866 PolarHBondContact CE1-CE1 2.83Å; K863-H866 PolarHBondContact O-N 3.18Å; R864-H866 PolarHBondContact O-N 3.21Å
867	T	64.1	Low	55.4	Low	88 Å²	88	109.1 Å²	109.1	54%	0.54	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-114.6	-1.6	-175.5	59.3	0	0	0	0	114.2	R864 E869	R864-T867 WeakPolarHBondContact CA-OG1 3.47Å; R864-T867 PolarHBondContact O-N 2.68Å; R864-T867 VanDerWaalsContact O-N 3.15Å; R864-T867 PolarHBondContact O-OG1 3.24Å; T867-E869 PolarHBondContact O-N 3.23Å; T867-E869 VanDerWaalsContact O-N 3.11Å
868	G	57.8	Low	53.2	Low	68 Å²	68	108.5 Å²	108.5	70%	0.701	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.2	5.9	171.3	0	0	0	0	0	116.3	R864 E870	R864-G868 PolarHBondContact O-N 3.24Å; G868-E870 PolarHBondContact O-N 3.19Å
869	E	48.3	Very low	50.8	Low	144 Å²	144	111 Å²	111	67%	0.673	61%	0.613	S	S	*	*			trans	-72.6	99.9	-176.9	-67.1	-176.9	144.7	0	0	112.1	T867	T867-E869 PolarHBondContact O-N 3.23Å; T867-E869 VanDerWaalsContact O-N 3.11Å
870	E	40.7	Very low	48.5	Very low	188 Å²	188	121 Å²	121	88%	0.879	65%	0.651	S	S	*	*			trans	-66.5	167.2	159.1	-67.2	-153.7	128.3	0	0	111.7	G868 L872	G868-E870 PolarHBondContact O-N 3.19Å; E870-L872 PolarHBondContact O-N 3.23Å
871	S	37.3	Very low	46.6	Very low	115 Å²	115	123.5 Å²	123.5	80%	0.804	67%	0.672	S	S	*	*			trans	-84.6	113.9	-155.1	57.5	0	0	0	0	115.5
872	L	32.5	Very low	44.2	Very low	169 Å²	169	119.9 Å²	119.9	89%	0.885	68%	0.679	S	S	*	*			trans	-95.6	120.1	146.5	-81.2	173.7	0	0	0	110.7	E870 V874	E870-L872 PolarHBondContact O-N 3.23Å; L872-V874 PolarHBondContact O-N 3.21Å; L872-V874 VanDerWaalsContact O-N 3.11Å
873	S	30.5	Very low	42	Very low	105 Å²	105	125.6 Å²	125.6	73%	0.734	72%	0.715	S	S	*	*			trans	-87	75.5	-165.2	49.5	0	0	0	0	113.5	I875	S873-I875 PolarHBondContact O-N 2.88Å
874	V	27.8	Very low	39.8	Very low	138 Å²	138	128.3 Å²	128.3	84%	0.836	74%	0.743	S	S	*	*			trans	-64.1	106.1	164.8	179.7	0	0	0	0	109.2	L872 Y876	L872-V874 PolarHBondContact O-N 3.21Å; L872-V874 VanDerWaalsContact O-N 3.11Å; V874-Y876 PolarHBondContact O-N 3.18Å
875	I	29.6	Very low	37.6	Very low	148 Å²	148	130 Å²	130	76%	0.759	76%	0.757	S	S	*	*			trans	-63.2	99.2	-174.5	-58.8	177.3	0	0	0	110.5	S873 V877	S873-I875 PolarHBondContact O-N 2.88Å; I875-V877 HydrophobicContact CG2-CG2 3.87Å
876	Y	25.2	Very low	35.5	Very low	212 Å²	212	134.5 Å²	134.5	83%	0.831	77%	0.768	S	S	*	*			trans	-102.2	101.8	168.8	-161.6	-84.4	0	0	0	108.9	V874 G878	V874-Y876 PolarHBondContact O-N 3.18Å; Y876-G878 PolarHBondContact O-N 2.92Å
877	V	27.4	Very low	33.1	Very low	128 Å²	128	141.5 Å²	141.5	78%	0.776	79%	0.791	S	S	*	*			trans	-71.5	75.5	-178.3	-171.9	0	0	0	0	110.8	I875 S879	I875-V877 HydrophobicContact CG2-CG2 3.87Å; V877-S879 PolarHBondContact O-N 3.1Å
878	G	25.8	Very low	31.2	Very low	51 Å²	51	142.6 Å²	142.6	53%	0.526	80%	0.798	S	S	.	*			trans	-85.3	89.6	168.3	0	0	0	0	0	109.8	Y876 Y880	Y876-G878 PolarHBondContact O-N 2.92Å; G878-Y880 PolarHBondContact O-N 2.81Å
879	S	28	Very low	29.7	Very low	114 Å²	114	148.8 Å²	148.8	80%	0.797	80%	0.801	S	S	*	*			trans	-57.6	115.6	-175.9	55.9	0	0	0	0	113	V877	V877-S879 PolarHBondContact O-N 3.1Å
880	Y	27	Very low	28.7	Very low	228 Å²	228	150 Å²	150	89%	0.894	81%	0.807	S	S	*	*			trans	-107.1	140.7	160.4	-96.2	-93	0	0	0	109.9	G878	G878-Y880 PolarHBondContact O-N 2.81Å
881	S	32.9	Very low	28.1	Very low	121 Å²	121	144.9 Å²	144.9	85%	0.846	80%	0.804	S	S	*	*			trans	-89.7	121.8	175.9	50.1	0	0	0	0	110.5
882	G	25.5	Very low	27.6	Very low	79 Å²	79	143.1 Å²	143.1	81%	0.814	80%	0.804	S	S	*	*			trans	-128.4	136.7	167.8	0	0	0	0	0	110
883	T	30.5	Very low	27.3	Very low	140 Å²	140	140.7 Å²	140.7	86%	0.859	80%	0.802	S	S	*	*			trans	-93.8	135.8	179.8	43.9	0	0	0	0	111.4
884	S	24.8	Very low	27.1	Very low	125 Å²	125	139.7 Å²	139.7	87%	0.874	80%	0.8	S	S	*	*			trans	-162.5	154.8	158.2	-83.4	0	0	0	0	111
885	Q	28.7	Very low	27.2	Very low	187 Å²	187	141.2 Å²	141.2	87%	0.874	80%	0.803	S	S	*	*			trans	-99.4	147.3	-174.8	-56	137.8	-58.2	0	0	112.3
886	K	26.9	Very low	27.1	Very low	197 Å²	197	142.2 Å²	142.2	86%	0.857	81%	0.809	S	S	*	*			trans	177.9	123.7	140.1	-95	156.3	-176.2	-174.9	0	106.4
887	R	24.2	Very low	27.1	Very low	227 Å²	227	134.7 Å²	134.7	86%	0.857	80%	0.797	S	S	*	*				68.8	107	71.2	-85.5	-161.3	177.4	-173.3	0.8	114.4
888	T	24.3	Very low	27.1	Very low	110 Å²	110	133.8 Å²	133.8	68%	0.675	80%	0.796	S	S	*	*			trans	70.9	143.5	134.2	60.5	0	0	0	0	121.6
889	Y	25.2	Very low	27.2	Very low	198 Å²	198	141.9 Å²	141.9	78%	0.776	81%	0.81	S	S	*	*			trans	64.7	149.8	170.7	-67.5	-84.2	0	0	0	116.7
890	E	27.4	Very low	27.1	Very low	170 Å²	170	144.1 Å²	144.1	79%	0.794	81%	0.81	S	S	*	*			cis	-173	165.8	-35.8	-130.4	-178.9	-159.8	0	0	109.5
891	G	27.9	Very low	27.2	Very low	80 Å²	80	144.1 Å²	144.1	83%	0.825	81%	0.809	S	S	*	*			trans	67.3	-180	156.7	0	0	0	0	0	118.8
892	G	27.9	Very low	27.2	Very low	78 Å²	78	145.6 Å²	145.6	80%	0.804	81%	0.806	S	S	*	*			trans	111.7	44.9	159.2	0	0	0	0	0	119.1
893	S	26.7	Very low	27.9	Very low	119 Å²	119	147.3 Å²	147.3	83%	0.832	80%	0.803	S	S	*	*			trans	-59.7	158	146.8	49.4	0	0	0	0	111.3
894	A	26.2	Very low	27.9	Very low	84 Å²	84	152 Å²	152	69%	0.694	82%	0.822	S	S	*	*			cis	-177.2	179.7	-16.9	0	0	0	0	0	108.4
895	L	28.9	Very low	28.1	Very low	170 Å²	170	153.4 Å²	153.4	89%	0.89	82%	0.819	S	S	*	*			trans	76.5	156.2	163.2	-54.9	178.8	0	0	0	119.5
896	D	28.2	Very low	28.1	Very low	168 Å²	168	151.6 Å²	151.6	90%	0.898	82%	0.816	S	S	*	*			trans	59.6	148.3	170.9	-129	32.3	0	0	0	118.8
897	G	25.2	Very low	28.1	Very low	55 Å²	55	149.1 Å²	149.1	57%	0.567	81%	0.814	S	S	*	*			cis	-168	171.2	-1.6	0	0	0	0	0	113.5
898	S	27.6	Very low	28.4	Very low	108 Å²	108	144.5 Å²	144.5	76%	0.755	81%	0.811	S	S	*	*			trans	22.5	112.1	161.6	-63.4	0	0	0	0	119.8
899	R	26.5	Very low	28.6	Very low	221 Å²	221	146.6 Å²	146.6	83%	0.834	82%	0.82	S	S	*	*				76.8	112.6	68.2	-172.8	-173.9	-163.8	-162.9	7.4	114.3
900	M	27	Very low	28.9	Very low	162 Å²	162	143.2 Å²	143.2	80%	0.798	82%	0.823	S	S	*	*			trans	70.9	156.6	172.7	-57.2	-87.5	177.4	0	0	114.2
901	R	28.8	Very low	29	Very low	228 Å²	228	141.3 Å²	141.3	86%	0.86	83%	0.825	S	S	*	*			cis	-146.6	154.6	7.6	-143.9	176.5	-153.8	-171.4	6.1	109.9
902	L	31.9	Very low	29	Very low	152 Å²	152	146 Å²	146	80%	0.796	83%	0.825	S	S	*	*			trans	-71	157.2	163.2	-75	163.5	0	0	0	110.2
903	P	41.5	Very low	29.1	Very low	114 Å²	114	151.7 Å²	151.7	74%	0.74	83%	0.826	S	S	*	*				-134.8	150.9	109.3	37.3	-28.6	0	0	0	114.8
904	L	31.2	Very low	29.4	Very low	239 Å²	239	154.6 Å²	154.6	100%	1.251	83%	0.826	S	S	*	*			trans	60.5	0	167.3	-62.4	167.7	0	0	0	116.5

Retrieved 904 of 904 residues in 462.9 ms (Link to these results)

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