A0A5K4FCY6_SCHMA Loading...

RING-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FCY6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 838 aa.

						>A0A5K4FCY6_SCHMA|A0A5K4FCY6
MNTRSNGRRNSVLLRLDSGSKAQKCRRSSSSVLEPLEDMVTCPIDLNFLDNPKLLPCGHAFCCKCLNKYMEKLPPSPPTNARNTITASNNNSHNNNSRNNHNNNTNTGNLQDHRNGKSNEKTSFPCPICRALCPIPATRNADSFPSAFNHKAILEFLKNNHINSFVSRMNNNNNNGTVEQSDSTGKSPIPTRKTSLQVSSRMLNYIVDDIASRQREGRMNEIDRAVIIDEFKEILVNLQAFDDKLPLKSLNNNNKQHSLNVNNVNSLDKNTNRDNTINGNNNNGCSTLPCTTTNPRSSTPSTISPTNSIRHFGRFHAAASRIRRFTASSISSNDLLPIETASSYVSYRDAEGLRIMMERNSKFHVLTKGKDCCIMRPGEIYQPIDMKLMINHEDNNCNIHRFTLTTNLKCDELLLWKQQLHFNNGFFNLIHNNHKYGLNQISSQIIVDNSNPIKILYLRFHGSVIYLTGIITPNTSTASTLDEEEELDSIEKSEFGILVCCTISDEDHSNKNDTPTLINGGGRNNNNHETNSESNQNTSSSTNPFPIIATSSLFYRDNVGLERQNQPIIFGIDIDHTNGDIYIAQPANAMICRLKSNDLTRIDRTWYLNDPQLSPYFLCLAKNEQNVWATCPTEDKVLILDIDVDGYFHFTPSISFNIVPGHIIYTSDNRIILLDQSNYDLYWITRIEKAICVQRLYYNIGSHQPKKFQIMAIQPVYSDEIVHSANSTTTTTTNTSTMSSINHSSYSNHHHQQQTTYYNGNTHNHSNENGNNKLKLFSKHSFTTATSLSPSSSQSIDKLRGGIMCAHNYGCTVIYPQKLFSRNKSAKISSCLNLCVRI
					

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	30.2	Very low	29.3	Very low	246 Å²	246	168.3 Å²	168.3	100%	1.212	87%	0.865	S	S	*	*				0	160.5	0	-78.2	168.2	159.1	0	0	109.3
2	N	26.5	Very low	29.5	Very low	165 Å²	165	164.8 Å²	164.8	88%	0.882	86%	0.857	S	S	*	*			trans	-93.2	134.5	-168.6	-68.2	-32.2	0	0	0	113.3
3	T	34.7	Very low	29.2	Very low	144 Å²	144	160.8 Å²	160.8	88%	0.883	84%	0.836	S	S	*	*			trans	-142.8	126.3	137.3	33.1	0	0	0	0	109.5
4	R	22.8	Very low	29.2	Very low	243 Å²	243	160.6 Å²	160.6	92%	0.917	84%	0.835	S	S	*	*			trans	-122.6	126.7	168.9	-89	-179.7	167.2	178.8	-3	107.7
5	S	34	Very low	29	Very low	112 Å²	112	162.5 Å²	162.5	78%	0.783	83%	0.828	S	S	*	*			trans	-147.9	90.7	164.2	40	0	0	0	0	108
6	N	30.4	Very low	28.8	Very low	156 Å²	156	162.3 Å²	162.3	83%	0.834	83%	0.828	S	S	*	*				78	84.4	94.8	-74.3	-5.6	0	0	0	112.6
7	G	26.8	Very low	28.9	Very low	76 Å²	76	161.4 Å²	161.4	78%	0.784	83%	0.825	S	S	*	*			trans	-68.6	134.1	169	0	0	0	0	0	111.7	R9	G7-R9 PolarHBondContact O-N 3.42Å
8	R	30.4	Very low	28.8	Very low	239 Å²	239	159.7 Å²	159.7	90%	0.902	83%	0.83	S	S	*	*			trans	-77.9	107.2	-176.2	-151.6	173.2	-167.2	163.5	2.1	110.1	N10	R8-N10 PolarHBondContact O-N 3.32Å
9	R	27.5	Very low	28.7	Very low	227 Å²	227	155.1 Å²	155.1	86%	0.857	83%	0.826	S	S	*	*			trans	-78	112.6	172.3	-72.5	179.5	174.7	141.8	-5.6	109.7	G7	G7-R9 PolarHBondContact O-N 3.42Å
10	N	29.1	Very low	28.8	Very low	146 Å²	146	152.9 Å²	152.9	78%	0.781	82%	0.823	S	S	*	*			trans	-104.7	82.4	166.1	-79	28.4	0	0	0	109	R8	R8-N10 PolarHBondContact O-N 3.32Å
11	S	29.6	Very low	28.9	Very low	97 Å²	97	155.4 Å²	155.4	68%	0.678	83%	0.827	S	S	*	*			trans	-134.2	83.6	173.1	58	0	0	0	0	107.7	L13	S11-L13 PolarHBondContact O-N 3.42Å
12	V	32	Very low	28.8	Very low	127 Å²	127	147.9 Å²	147.9	77%	0.77	80%	0.804	S	S	*	*			trans	-76.5	104.8	-178.3	179.7	0	0	0	0	108.8	L14	V12-L14 HydrophobicContact CG1-CD2 4.21Å; V12-L14 HydrophobicContact CG1-CG 4.1Å
13	L	25.9	Very low	28.9	Very low	113 Å²	113	147.4 Å²	147.4	59%	0.592	80%	0.796	S	S	*	*			trans	-95.7	110.4	157.8	-178	84.3	0	0	0	106.1	S11 R15	S11-L13 PolarHBondContact O-N 3.42Å; L13-R15 HydrophobicContact CD2-CG 4.27Å; L13-R15 PolarHBondContact O-N 2.92Å; L13-R15 VanDerWaalsContact O-N 3.12Å
14	L	29	Very low	28.5	Very low	157 Å²	157	149 Å²	149	82%	0.822	79%	0.791	S	S	*	*			trans	-72.6	103.8	167.7	-73.5	176.2	0	0	0	108.3	V12	V12-L14 HydrophobicContact CG1-CD2 4.21Å; V12-L14 HydrophobicContact CG1-CG 4.1Å
15	R	26.8	Very low	28.7	Very low	190 Å²	190	144 Å²	144	72%	0.717	79%	0.791	S	S	*	*			trans	-88.2	131.4	156.7	-97.9	-172.1	163.2	96.4	1.4	108	L13 D17	L13-R15 HydrophobicContact CD2-CG 4.27Å; L13-R15 PolarHBondContact O-N 2.92Å; L13-R15 VanDerWaalsContact O-N 3.12Å; R15-D17 PolarHBondContact O-N 3.45Å
16	L	25.6	Very low	28.3	Very low	159 Å²	159	150.7 Å²	150.7	83%	0.832	80%	0.799	S	S	*	*			trans	-81.1	88.8	170.8	-70.4	166.2	0	0	0	109.2
17	D	30	Very low	28.3	Very low	146 Å²	146	154.9 Å²	154.9	78%	0.781	80%	0.804	S	S	*	*			trans	-93.2	115.2	167.6	-74.5	-42	0	0	0	109.5	R15	R15-D17 PolarHBondContact O-N 3.45Å
18	S	26.4	Very low	28.5	Very low	131 Å²	131	156.6 Å²	156.6	92%	0.916	80%	0.803	S	S	*	*			trans	-83.4	122.8	-173.7	48.9	0	0	0	0	112.5
19	G	28.4	Very low	28.4	Very low	72 Å²	72	151.2 Å²	151.2	74%	0.742	80%	0.802	S	S	*	*			trans	-152.2	30.9	-159.7	0	0	0	0	0	119.8
20	S	29.5	Very low	28.7	Very low	112 Å²	112	144 Å²	144	78%	0.783	79%	0.787	S	S	*	*			trans	51.1	105.3	154.6	-60.7	0	0	0	0	121.3
21	K	31.5	Very low	29.2	Very low	205 Å²	205	138.1 Å²	138.1	89%	0.891	76%	0.757	S	S	*	*				173.3	139.7	110.7	-93.8	163.2	-176.8	176.3	0	114.5
22	A	27.6	Very low	30.1	Very low	88 Å²	88	136 Å²	136	73%	0.727	74%	0.74	S	S	*	*			trans	7.4	147.6	157.4	0	0	0	0	0	120.7
23	Q	29	Very low	31.2	Very low	155 Å²	155	131.5 Å²	131.5	72%	0.724	71%	0.711	S	S	*	*			cis	-164.9	137.7	49.6	-179.3	73.1	-48	0	0	113.8
24	K	26	Very low	32.6	Very low	178 Å²	178	128.3 Å²	128.3	77%	0.774	69%	0.693	S	S	*	*			trans	36.3	108.8	161.5	-66.5	177.5	178.7	179.3	0	120.2
25	C	27.6	Very low	34.2	Very low	137 Å²	137	121.9 Å²	121.9	93%	0.926	66%	0.661	S	S	*	*				-141.6	128.9	123.5	-112.8	0	0	0	0	109.4
26	R	25.4	Very low	36	Very low	253 Å²	253	113.5 Å²	113.5	96%	0.955	63%	0.631	S	S	*	*			trans	-102.9	114.7	172.8	-83.3	-176.3	172.6	177.7	-3.5	108.5
27	R	29.6	Very low	38.2	Very low	245 Å²	245	106.1 Å²	106.1	93%	0.925	59%	0.592	S	S	*	*			trans	-135	151.3	160.4	-99.8	-179.5	171.1	155.9	-2.2	110.5
28	S	30.6	Very low	40.1	Very low	111 Å²	111	101 Å²	101	78%	0.776	56%	0.564	S	S	*	*			trans	-43.6	140.8	-171.2	39	0	0	0	0	116.3	S30	S28-S30 PolarHBondContact O-N 3.36Å
29	S	29.2	Very low	42.3	Very low	126 Å²	126	95.4 Å²	95.4	88%	0.881	52%	0.524	S	S	*	.			trans	-72.3	82.4	172.3	54	0	0	0	0	112.3
30	S	33.4	Very low	44.8	Very low	76 Å²	76	92 Å²	92	53%	0.531	49%	0.489	S	S	.	.			trans	-79.2	155.1	149	-152.1	0	0	0	0	109.2	S28 E34	S28-S30 PolarHBondContact O-N 3.36Å; S30-E34 WeakPolarHBondContact CB-OE1 3.26Å; S30-E34 PolarHBondContact OG-OE1 2.76Å
31	S	41	Very low	47.2	Very low	23 Å²	23	86.7 Å²	86.7	16%	0.161	45%	0.452	C	S	.	.			trans	-121.8	108.8	-157.7	55	0	0	0	0	112.9	L33 E34	S31-L33 PolarHBondContact O-N 3.41Å; S31-E34 PolarHBondContact O-N 3.5Å
32	V	46.7	Very low	49.6	Very low	52 Å²	52	77 Å²	77	32%	0.315	41%	0.409	S	S	.	.	S	Bend		54.1	-43.5	119.9	167.5	0	0	0	0	119.9	I228	V32-I228 HydrophobicContact CB-CG2 4.45Å; V32-I228 HydrophobicContact CG1-CB 4.13Å; V32-I228 HydrophobicContact CG1-CD1 3.74Å; V32-I228 HydrophobicContact CG1-CG1 3.49Å; V32-I228 VanDerWaalsContact CG1-CG1 3.49Å; V32-I228 HydrophobicContact CG1-CG2 3.67Å; V32-I228 HydrophobicContact CG2-CG2 3.93Å
33	L	55.1	Low	52	Low	32 Å²	32	74.5 Å²	74.5	17%	0.168	39%	0.386	C	S	.	.			trans	-102.8	5.5	-177.2	-55.9	-179.7	0	0	0	112.9	S31 P35 L36 E37 L157 I162	S31-L33 PolarHBondContact O-N 3.41Å; L33-P35 VanDerWaalsContact O-N 3.15Å; L33-L36 HydrophobicContact CD2-CD1 4.07Å; L33-L36 WeakPolarHBondContact O-CA 3.43Å; L33-L36 WeakPolarHBondContact O-CB 3.28Å; L33-L36 PolarHBondContact O-N 3.1Å; L33-E37 PolarHBondContact O-N 3.18Å; L33-L157 HydrophobicContact CB-CD2 4.14Å; L33-L157 HydrophobicContact CD1-CD2 3.78Å; L33-L157 HydrophobicContact CG-CD2 4.44Å; L33-I162 HydrophobicContact CD1-CD1 3.58Å; L33-I162 HydrophobicContact CD1-CG1 4.06Å; L33-I162 HydrophobicContact CG-CD1 4.02Å
34	E	56	Low	54.5	Low	46 Å²	46	70.3 Å²	70.3	22%	0.215	37%	0.368	C	S	.	.	H	α-helix	trans	-49	-41	-172	-76	171.2	178.4	0	0	115	S30 S31 L36 E37 D38	S30-E34 WeakPolarHBondContact CB-OE1 3.26Å; S30-E34 PolarHBondContact OG-OE1 2.76Å; S31-E34 PolarHBondContact O-N 3.5Å; E34-L36 PolarHBondContact O-N 2.99Å; E34-E37 CarbonylContact O-C 3.39Å; E34-E37 WeakPolarHBondContact O-CA 3.45Å; E34-E37 VanDerWaalsContact O-CB 3.27Å; E34-E37 WeakPolarHBondContact O-CB 3.48Å; E34-E37 PolarHBondContact O-N 3.19Å; E34-E37 VanDerWaalsContact O-N 3.16Å; E34-D38 VanDerWaalsContact O-CG 3.32Å; E34-D38 PolarHBondContact O-N 2.79Å
35	P	61.9	Low	57.3	Low	22 Å²	22	64 Å²	64	14%	0.143	34%	0.343	C	S	.	.	H	α-helix	trans	-74.2	-26.5	176.1	-17.4	31.1	0	0	0	114.4	L33 E37 D38 M39 F231 L235	L33-P35 VanDerWaalsContact O-N 3.15Å; P35-E37 VanDerWaalsContact C-N 3.31Å; P35-D38 PolarHBondContact O-N 2.87Å; P35-M39 WeakPolarHBondContact O-CB 3.2Å; P35-M39 VanDerWaalsContact O-CG 3.32Å; P35-M39 WeakPolarHBondContact O-CG 3.42Å; P35-M39 PolarHBondContact O-N 3.16Å; P35-F231 HydrophobicContact CB-CE1 3.86Å; P35-F231 HydrophobicContact CB-CZ 4.33Å; P35-F231 HydrophobicContact CG-CE1 3.85Å; P35-L235 HydrophobicContact CG-CD1 3.68Å; P35-L235 HydrophobicContact CG-CD2 3.27Å; P35-L235 HydrophobicContact CG-CG 3.59Å
36	L	64.7	Low	59.8	Low	15 Å²	15	62.1 Å²	62.1	8%	0.079	32%	0.323	C	S	.	.	H	α-helix	trans	-69.9	-34.9	169.5	-72.2	158.4	0	0	0	109.7	L33 E34 M39 V40 I153 F156 L157 F231	L33-L36 HydrophobicContact CD2-CD1 4.07Å; L33-L36 WeakPolarHBondContact O-CA 3.43Å; L33-L36 WeakPolarHBondContact O-CB 3.28Å; L33-L36 PolarHBondContact O-N 3.1Å; E34-L36 PolarHBondContact O-N 2.99Å; L36-M39 HydrophobicContact CD2-CE 3.68Å; L36-M39 HydrophobicContact CG-CE 4.23Å; L36-V40 WeakPolarHBondContact O-CG2 3.37Å; L36-I153 HydrophobicContact CD2-CG2 3.91Å; L36-F156 HydrophobicContact CD1-CE1 4.47Å; L36-L157 HydrophobicContact CB-CD1 4.25Å; L36-L157 HydrophobicContact CB-CD2 3.95Å; L36-L157 HydrophobicContact CB-CG 4.48Å; L36-F231 HydrophobicContact CD1-CE1 4.26Å; L36-F231 HydrophobicContact CD1-CZ 4.33Å; L36-F231 HydrophobicContact CD2-CZ 4.45Å; L36-F231 HydrophobicContact CG-CE1 4.07Å; L36-F231 HydrophobicContact CG-CZ 3.94Å
37	E	71.6	Confident	62.4	Low	3 Å²	3	52.8 Å²	52.8	1%	0.014	29%	0.292	C	S	.	.	H	α-helix	trans	-61.7	-51.5	168.2	-65.6	-167.9	173.1	0	0	111.2	L33 E34 P35 M39 V40 T41 F48 R168 R192	L33-E37 PolarHBondContact O-N 3.18Å; E34-E37 CarbonylContact O-C 3.39Å; E34-E37 WeakPolarHBondContact O-CA 3.45Å; E34-E37 VanDerWaalsContact O-CB 3.27Å; E34-E37 WeakPolarHBondContact O-CB 3.48Å; E34-E37 PolarHBondContact O-N 3.19Å; E34-E37 VanDerWaalsContact O-N 3.16Å; P35-E37 VanDerWaalsContact C-N 3.31Å; E37-M39 PolarHBondContact O-N 3.09Å; E37-V40 CarbonylContact O-C 3.6Å; E37-V40 PolarHBondContact O-N 3.44Å; E37-T41 PolarHBondContact O-N 3.48Å; E37-T41 PolarHBondContact O-OG1 2.88Å; E37-F48 HydrophobicContact CB-CE1 3.7Å; E37-F48 HydrophobicContact CB-CZ 4.13Å; E37-F48 HydrophobicContact CG-CE1 3.84Å; E37-F48 HydrophobicContact CG-CZ 3.8Å; E37-R168 IonicContact OE1-NH1 3.17Å; E37-R168 PolarHBondContact OE1-NH1 3.25Å; E37-R168 VanDerWaalsContact OE1-NH1 3.09Å; E37-R168 IonicContact OE2-NH1 3.09Å; E37-R168 PolarHBondContact OE2-NH1 2.84Å; E37-R192 IonicContact OE2-CZ 2.65Å; E37-R192 IonicContact OE2-NH1 2.75Å; E37-R192 PolarHBondContact OE2-NH1 3.43Å; E37-R192 VanDerWaalsContact OE2-NH1 3.09Å; E37-R192 IonicContact OE2-NH2 3.22Å; E37-R192 PolarHBondContact OE2-NH2 3.06Å
38	D	70	Confident	64.9	Low	38 Å²	38	42.1 Å²	42.1	20%	0.203	25%	0.252	C	S	.	.	H	α-helix	trans	-67.4	-32.8	-174.4	-65.8	-29.1	0	0	0	113	E34 P35 V40 T41 R192 S195	E34-D38 VanDerWaalsContact O-CG 3.32Å; E34-D38 PolarHBondContact O-N 2.79Å; P35-D38 PolarHBondContact O-N 2.87Å; D38-V40 VanDerWaalsContact C-N 3.28Å; D38-V40 PolarHBondContact O-N 2.94Å; D38-T41 PolarHBondContact O-N 3.38Å; D38-R192 IonicContact OD1-CZ 3.09Å; D38-R192 IonicContact OD1-NE 3.4Å; D38-S195 PolarHBondContact O-N 3.46Å
39	M	73.9	Confident	67.5	Low	15 Å²	15	37 Å²	37	7%	0.074	22%	0.216	C	C	.	.	H	α-helix	trans	-65.1	-27.3	171.2	-79.2	-170.6	-62.4	0	0	113.3	P35 L36 E37 H150 V198 I206	P35-M39 WeakPolarHBondContact O-CB 3.2Å; P35-M39 VanDerWaalsContact O-CG 3.32Å; P35-M39 WeakPolarHBondContact O-CG 3.42Å; P35-M39 PolarHBondContact O-N 3.16Å; L36-M39 HydrophobicContact CD2-CE 3.68Å; L36-M39 HydrophobicContact CG-CE 4.23Å; E37-M39 PolarHBondContact O-N 3.09Å; M39-H150 PolarHBondContact O-CD2 3.34Å; M39-V198 HydrophobicContact CG-CG2 4.35Å; M39-V198 HydrophobicContact SD-CG2 3.85Å; M39-I206 HydrophobicContact CE-CD1 4.36Å; M39-I206 HydrophobicContact SD-CD1 4.35Å
40	V	81.2	Confident	70.1	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	19.1	178.4	-52.2	0	0	0	0	114	L36 E37 D38 F48 L49 H150 I153 L154 L157	L36-V40 WeakPolarHBondContact O-CG2 3.37Å; E37-V40 CarbonylContact O-C 3.6Å; E37-V40 PolarHBondContact O-N 3.44Å; D38-V40 VanDerWaalsContact C-N 3.28Å; D38-V40 PolarHBondContact O-N 2.94Å; V40-F48 HydrophobicContact CG2-CD1 4.03Å; V40-F48 HydrophobicContact CG2-CE1 4.47Å; V40-F48 WeakPolarHBondContact O-CA 3.37Å; V40-L49 HydrophobicContact CB-CD1 4.34Å; V40-L49 WeakPolarHBondContact O-CB 3.36Å; V40-L49 WeakPolarHBondContact O-CG 3.25Å; V40-L49 PolarHBondContact O-N 3.31Å; V40-H150 HydrophobicContact CG1-CB 4.36Å; V40-I153 HydrophobicContact CG1-CB 3.77Å; V40-I153 HydrophobicContact CG1-CG2 3.52Å; V40-L154 HydrophobicContact CB-CD2 3.9Å; V40-L154 HydrophobicContact CB-CG 3.9Å; V40-L154 HydrophobicContact CG1-CG 4.27Å; V40-L154 HydrophobicContact CG2-CD2 3.49Å; V40-L154 VanDerWaalsContact CG2-CD2 3.49Å; V40-L154 HydrophobicContact CG2-CG 3.93Å; V40-L157 HydrophobicContact CG2-CD1 3.79Å
41	T	78.7	Confident	72.7	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.006	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-97.1	132.6	171.6	-60.6	0	0	0	0	109.8	E37 D38 P43 L46 N47 T194	E37-T41 PolarHBondContact O-N 3.48Å; E37-T41 PolarHBondContact O-OG1 2.88Å; D38-T41 PolarHBondContact O-N 3.38Å; T41-P43 WeakPolarHBondContact O-CD 3.47Å; T41-L46 VanDerWaalsContact CG2-C 3.43Å; T41-L46 WeakPolarHBondContact CG2-O 2.83Å; T41-N47 CarbonylContact C-O 3.4Å; T41-N47 WeakPolarHBondContact CA-O 3.24Å; T41-T194 HydrophobicContact CG2-CG2 3.44Å; T41-T194 VanDerWaalsContact CG2-CG2 3.44Å
42	C	82.3	Confident	74.9	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.			trans	-80.4	125.1	-178.5	-178.9	0	0	0	0	111.5	I44 D45 L46 N47 L49 C62	C42-I44 PolarHBondContact O-N 3.47Å; C42-I44 VanDerWaalsContact O-N 3.1Å; C42-D45 WeakPolarHBondContact CB-OD1 3.32Å; C42-D45 PolarHBondContact O-N 3.49Å; C42-L46 VanDerWaalsContact O-CA 3.28Å; C42-L46 WeakPolarHBondContact O-CA 3.46Å; C42-L46 PolarHBondContact O-N 3.03Å; C42-N47 PolarHBondContact N-O 2.69Å; C42-L49 HydrophobicContact CB-CD2 3.71Å; C42-L49 HydrophobicContact CB-CG 4.29Å; C42-C62 WeakPolarHBondContact CB-SG 3.15Å; C42-C62 PolarHBondContact SG-N 2.92Å; C42-C62 VanDerWaalsContact SG-N 3.37Å; C42-C62 VanDerWaalsContact SG-SG 3.62Å
43	P	78.8	Confident	76.8	Confident	37 Å²	37	32 Å²	32	24%	0.24	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-5.6	-178.2	-26.6	39.5	0	0	0	116.5	T41 I128 T194 S195	T41-P43 WeakPolarHBondContact O-CD 3.47Å; P43-I128 HydrophobicContact CB-CD1 4.24Å; P43-I128 HydrophobicContact CB-CG1 4.29Å; P43-I128 HydrophobicContact CG-CD1 3.72Å; P43-I128 HydrophobicContact CG-CG1 4.28Å; P43-T194 WeakPolarHBondContact CA-OG1 3.38Å; P43-T194 WeakPolarHBondContact CB-OG1 3.35Å; P43-T194 WeakPolarHBondContact CG-O 3.35Å; P43-T194 WeakPolarHBondContact CG-OG1 3.47Å; P43-S195 WeakPolarHBondContact CG-OG 3.24Å
44	I	80.9	Confident	78.1	Confident	66 Å²	66	33 Å²	33	34%	0.338	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-35.6	178.9	-59.6	168.2	0	0	0	111.9	C42 F61 C65 P127	C42-I44 PolarHBondContact O-N 3.47Å; C42-I44 VanDerWaalsContact O-N 3.1Å; I44-F61 HydrophobicContact CD1-CB 4.35Å; I44-F61 HydrophobicContact CD1-CD1 3.46Å; I44-F61 VanDerWaalsContact CD1-CD1 3.46Å; I44-F61 HydrophobicContact CD1-CE1 3.98Å; I44-F61 HydrophobicContact CD1-CG 4.13Å; I44-F61 HydrophobicContact CG1-CD1 3.75Å; I44-F61 HydrophobicContact CG1-CE1 4.02Å; I44-C65 HydrophobicContact CB-CB 3.93Å; I44-C65 HydrophobicContact CD1-CB 3.9Å; I44-C65 HydrophobicContact CG2-CB 3.81Å; I44-P127 HydrophobicContact CD1-CG 4.15Å; I44-P127 HydrophobicContact CG1-CB 4.45Å
45	D	84.5	Confident	79.3	Confident	46 Å²	46	31 Å²	31	25%	0.246	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-7.8	-176	60.5	46.7	0	0	0	113.6	C42 N47 C62 C65	C42-D45 WeakPolarHBondContact CB-OD1 3.32Å; C42-D45 PolarHBondContact O-N 3.49Å; D45-N47 PolarHBondContact O-N 3.49Å; D45-N47 PolarHBondContact O-ND2 2.88Å; D45-N47 WeakPolarHBondContact OD1-CA 3.49Å; D45-N47 VanDerWaalsContact OD1-CB 3.28Å; D45-N47 WeakPolarHBondContact OD1-CB 3.46Å; D45-N47 PolarHBondContact OD1-N 3.33Å; D45-N47 PolarHBondContact OD1-ND2 2.88Å; D45-C62 PolarHBondContact OD2-SG 3.47Å; D45-C65 PolarHBondContact OD2-SG 3.15Å
46	L	80.7	Confident	80	Confident	97 Å²	97	34.5 Å²	34.5	51%	0.508	19%	0.189	S	C	.	.	S	Bend	trans	58.5	21.8	-177.7	-54.1	177.7	0	0	0	114.6	T41 C42 T194	T41-L46 VanDerWaalsContact CG2-C 3.43Å; T41-L46 WeakPolarHBondContact CG2-O 2.83Å; C42-L46 VanDerWaalsContact O-CA 3.28Å; C42-L46 WeakPolarHBondContact O-CA 3.46Å; C42-L46 PolarHBondContact O-N 3.03Å; L46-T194 HydrophobicContact CD2-CG2 4.11Å
47	N	80.2	Confident	80.5	Confident	57 Å²	57	35 Å²	35	31%	0.305	19%	0.193	S	C	.	.	S	Bend	trans	-110.5	168.1	177.3	-54.3	-57.2	0	0	0	111.5	T41 C42 D45 L49 N172	T41-N47 CarbonylContact C-O 3.4Å; T41-N47 WeakPolarHBondContact CA-O 3.24Å; C42-N47 PolarHBondContact N-O 2.69Å; D45-N47 PolarHBondContact O-N 3.49Å; D45-N47 PolarHBondContact O-ND2 2.88Å; D45-N47 WeakPolarHBondContact OD1-CA 3.49Å; D45-N47 VanDerWaalsContact OD1-CB 3.28Å; D45-N47 WeakPolarHBondContact OD1-CB 3.46Å; D45-N47 PolarHBondContact OD1-N 3.33Å; D45-N47 PolarHBondContact OD1-ND2 2.88Å; N47-L49 PolarHBondContact O-N 3.24Å; N47-N172 PolarHBondContact OD1-ND2 3.04Å
48	F	82.5	Confident	80.6	Confident	21 Å²	21	36.5 Å²	36.5	9%	0.092	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-60.2	134.5	173	-65.9	-51.9	0	0	0	111.8	E37 V40 D50 L154 F165	E37-F48 HydrophobicContact CB-CE1 3.7Å; E37-F48 HydrophobicContact CB-CZ 4.13Å; E37-F48 HydrophobicContact CG-CE1 3.84Å; E37-F48 HydrophobicContact CG-CZ 3.8Å; V40-F48 HydrophobicContact CG2-CD1 4.03Å; V40-F48 HydrophobicContact CG2-CE1 4.47Å; V40-F48 WeakPolarHBondContact O-CA 3.37Å; F48-D50 PolarHBondContact O-N 2.85Å; F48-D50 VanDerWaalsContact O-N 3.07Å; F48-L154 HydrophobicContact CB-CD2 4.06Å; F48-F165 HydrophobicContact CD1-CE2 4.3Å; F48-F165 HydrophobicContact CD2-CD2 4.48Å; F48-F165 AromaticContact CD2-CE2 3.9Å; F48-F165 HydrophobicContact CD2-CE2 3.9Å; F48-F165 HydrophobicContact CD2-CZ 4.11Å; F48-F165 AromaticContact CE1-CE2 3.91Å; F48-F165 HydrophobicContact CE1-CE2 3.91Å; F48-F165 AromaticContact CE2-CD2 3.67Å; F48-F165 HydrophobicContact CE2-CD2 3.67Å; F48-F165 AromaticContact CE2-CE2 3.45Å; F48-F165 HydrophobicContact CE2-CE2 3.45Å; F48-F165 VanDerWaalsContact CE2-CE2 3.45Å; F48-F165 HydrophobicContact CE2-CG 4.46Å; F48-F165 HydrophobicContact CE2-CZ 4.09Å; F48-F165 HydrophobicContact CG-CE2 4.3Å; F48-F165 HydrophobicContact CG-CZ 4.48Å; F48-F165 AromaticContact CZ-CD2 3.69Å; F48-F165 HydrophobicContact CZ-CD2 3.69Å; F48-F165 AromaticContact CZ-CE2 3.46Å; F48-F165 HydrophobicContact CZ-CE2 3.46Å; F48-F165 VanDerWaalsContact CZ-CE2 3.46Å; F48-F165 HydrophobicContact CZ-CZ 4.44Å
49	L	83.4	Confident	81	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.021	20%	0.2	C	C	.	.			trans	-53.8	106.7	-173.5	-82.1	167.7	0	0	0	113.4	V40 C42 N47 P52 A60 F61 H150 L154	V40-L49 HydrophobicContact CB-CD1 4.34Å; V40-L49 WeakPolarHBondContact O-CB 3.36Å; V40-L49 WeakPolarHBondContact O-CG 3.25Å; V40-L49 PolarHBondContact O-N 3.31Å; C42-L49 HydrophobicContact CB-CD2 3.71Å; C42-L49 HydrophobicContact CB-CG 4.29Å; N47-L49 PolarHBondContact O-N 3.24Å; L49-P52 HydrophobicContact CB-CB 3.99Å; L49-P52 HydrophobicContact CB-CG 4.35Å; L49-P52 HydrophobicContact CD1-CB 4.14Å; L49-P52 HydrophobicContact CD2-CB 4.21Å; L49-P52 HydrophobicContact CG-CB 4.36Å; L49-A60 HydrophobicContact CD1-CB 4.21Å; L49-F61 VanDerWaalsContact CD2-CA 3.44Å; L49-H150 HydrophobicContact CD1-CB 4.1Å; L49-L154 HydrophobicContact CB-CD1 4.01Å; L49-L154 VanDerWaalsContact O-CD1 3.25Å; L49-L154 WeakPolarHBondContact O-CD1 3.28Å
50	D	85.2	Confident	81.4	Confident	69 Å²	69	34.2 Å²	34.2	37%	0.369	20%	0.197	S	C	.	.	S	Bend	trans	-90.5	120.1	172.5	-179.8	33.4	0	0	0	111.5	F48 C62 C63 K64	F48-D50 PolarHBondContact O-N 2.85Å; F48-D50 VanDerWaalsContact O-N 3.07Å; D50-C62 PolarHBondContact N-SG 2.9Å; D50-C62 WeakPolarHBondContact O-CA 3.22Å; D50-C62 WeakPolarHBondContact O-CB 3.31Å; D50-C63 PolarHBondContact O-N 3.28Å; D50-K64 VanDerWaalsContact OD2-CE 3.28Å; D50-K64 WeakPolarHBondContact OD2-CE 3.45Å; D50-K64 IonicContact OD2-NZ 3.59Å; D50-K64 PolarHBondContact OD2-NZ 3.22Å
51	N	86.6	Confident	81.7	Confident	75 Å²	75	34.2 Å²	34.2	40%	0.401	20%	0.197	S	C	.	.	S	Bend	trans	45	67.2	-170.4	-174.5	18.4	0	0	0	112.2	K53 C63	N51-K53 PolarHBondContact O-N 3.41Å; N51-C63 HydrophobicContact CB-CB 4.08Å; N51-C63 WeakPolarHBondContact O-CB 3.37Å; N51-C63 PolarHBondContact O-N 3.44Å; N51-C63 VanDerWaalsContact O-N 3.12Å
52	P	87.6	Confident	82.2	Confident	9 Å²	9	34.3 Å²	34.3	6%	0.058	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	127.7	-172.7	20.5	-30.6	0	0	0	113.3	L49 F61 S146 A147 K151 L154	L49-P52 HydrophobicContact CB-CB 3.99Å; L49-P52 HydrophobicContact CB-CG 4.35Å; L49-P52 HydrophobicContact CD1-CB 4.14Å; L49-P52 HydrophobicContact CD2-CB 4.21Å; L49-P52 HydrophobicContact CG-CB 4.36Å; P52-F61 WeakPolarHBondContact CA-O 3.32Å; P52-S146 WeakPolarHBondContact O-CA 3.36Å; P52-A147 HydrophobicContact CB-CB 4.03Å; P52-A147 PolarHBondContact O-N 2.92Å; P52-K151 HydrophobicContact CG-CB 4.48Å; P52-L154 HydrophobicContact CG-CD1 4.38Å
53	K	86.3	Confident	82.5	Confident	19 Å²	19	34.5 Å²	34.5	8%	0.083	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	137.3	175.7	-63.8	-68.4	176.1	167.3	0	110.1	N51 A60 F61 C63 L66 A141 D142 F144 P145	N51-K53 PolarHBondContact O-N 3.41Å; K53-A60 WeakPolarHBondContact O-CA 3.21Å; K53-F61 PolarHBondContact N-O 3.36Å; K53-F61 PolarHBondContact O-N 3.48Å; K53-C63 HydrophobicContact CG-CB 3.74Å; K53-L66 HydrophobicContact CB-CD1 3.93Å; K53-A141 WeakPolarHBondContact CD-O 3.44Å; K53-D142 PolarHBondContact NZ-O 3.1Å; K53-D142 IonicContact NZ-OD1 2.94Å; K53-F144 HydrophobicContact CB-CB 4.11Å; K53-F144 HydrophobicContact CD-CB 4.33Å; K53-F144 VanDerWaalsContact CD-O 3.31Å; K53-F144 WeakPolarHBondContact CD-O 3.28Å; K53-F144 PolarHBondContact NZ-O 2.86Å; K53-P145 WeakPolarHBondContact CA-O 3.43Å
54	L	83	Confident	83.1	Confident	54 Å²	54	39 Å²	39	28%	0.283	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.7	-177.3	-163.5	74.8	0	0	0	110.2	G58 A60 P145 A147	L54-G58 WeakPolarHBondContact CD1-O 3.48Å; L54-A60 HydrophobicContact CD1-CB 4.15Å; L54-P145 PolarHBondContact N-O 3.48Å; L54-A147 HydrophobicContact CB-CB 4.03Å; L54-A147 HydrophobicContact CD1-CB 4.04Å
55	L	81.3	Confident	83.5	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.016	20%	0.204	C	C	.	.			trans	-78.5	157.9	170.5	-64	-171.9	0	0	0	110.9	C57 G58 H59 F61 L66 F124 C126 F144	L55-C57 PolarHBondContact O-N 3.36Å; L55-G58 PolarHBondContact O-N 3.3Å; L55-H59 PolarHBondContact N-O 2.91Å; L55-F61 HydrophobicContact CD1-CD2 4.1Å; L55-F61 HydrophobicContact CD1-CE2 3.63Å; L55-F61 HydrophobicContact CG-CD2 4.17Å; L55-F61 HydrophobicContact CG-CE2 4.08Å; L55-L66 HydrophobicContact CD1-CD2 4.12Å; L55-L66 HydrophobicContact CD2-CD1 3.98Å; L55-L66 HydrophobicContact CD2-CD2 4.09Å; L55-L66 HydrophobicContact CG-CD1 4.44Å; L55-L66 HydrophobicContact CG-CD2 4.38Å; L55-F124 HydrophobicContact CD1-CE2 4.21Å; L55-F124 HydrophobicContact CD1-CZ 4.48Å; L55-F124 HydrophobicContact CD2-CE2 4.39Å; L55-F124 HydrophobicContact CD2-CZ 3.89Å; L55-C126 HydrophobicContact CD1-CB 4.1Å; L55-F144 HydrophobicContact CD2-CD1 4.23Å; L55-F144 HydrophobicContact CD2-CD2 3.98Å; L55-F144 HydrophobicContact CD2-CE1 4.06Å; L55-F144 HydrophobicContact CD2-CE2 3.8Å; L55-F144 HydrophobicContact CD2-CG 4.21Å; L55-F144 HydrophobicContact CD2-CZ 3.86Å
56	P	75.7	Confident	83.6	Confident	96 Å²	96	34.5 Å²	34.5	62%	0.623	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-23.7	178	-28	36.9	0	0	0	114.8	G58	P56-G58 PolarHBondContact O-N 2.93Å
57	C	75.6	Confident	83.9	Confident	25 Å²	25	31.4 Å²	31.4	17%	0.169	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	17.8	173.6	63	0	0	0	0	114.4	L55 H59 A131	L55-C57 PolarHBondContact O-N 3.36Å; C57-H59 PolarHBondContact O-N 2.96Å; C57-H59 VanDerWaalsContact O-N 3.14Å; C57-H59 PolarHBondContact O-ND1 3.31Å; C57-A131 HydrophobicContact CB-CB 3.81Å
58	G	73.4	Confident	84.3	Confident	34 Å²	34	35.2 Å²	35.2	35%	0.351	19%	0.19	S	C	.	.	S	Bend	trans	74.8	-3.6	174.7	0	0	0	0	0	116.3	L54 L55 P56	L54-G58 WeakPolarHBondContact CD1-O 3.48Å; L55-G58 PolarHBondContact O-N 3.3Å; P56-G58 PolarHBondContact O-N 2.93Å
59	H	78.9	Confident	84.4	Confident	4 Å²	4	37.5 Å²	37.5	2%	0.019	20%	0.199	C	C	.	.			trans	-86	143.2	-178.7	-72.5	86.6	0	0	0	112.4	L55 C57 F61 I128 C129 Q197	L55-H59 PolarHBondContact N-O 2.91Å; C57-H59 PolarHBondContact O-N 2.96Å; C57-H59 VanDerWaalsContact O-N 3.14Å; C57-H59 PolarHBondContact O-ND1 3.31Å; H59-F61 HydrophobicContact CB-CE2 3.82Å; H59-F61 HydrophobicContact CB-CZ 4.24Å; H59-I128 HydrophobicContact CB-CD1 4.08Å; H59-I128 WeakPolarHBondContact CD2-CD1 3.48Å; H59-C129 PolarHBondContact ND1-SG 2.64Å; H59-Q197 PolarHBondContact CE1-OE1 3.47Å; H59-Q197 VanDerWaalsContact CE1-OE1 3.31Å
60	A	83.3	Confident	84.4	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.008	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.5	-174.7	0	0	0	0	0	112.5	L49 K53 L54 A147	L49-A60 HydrophobicContact CD1-CB 4.21Å; K53-A60 WeakPolarHBondContact O-CA 3.21Å; L54-A60 HydrophobicContact CD1-CB 4.15Å; A60-A147 HydrophobicContact CB-CB 4Å
61	F	87.2	Confident	84.3	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	158.3	-177.3	-58	-89.2	0	0	0	111.6	I44 L49 P52 K53 L55 H59 C63 L66 P127 I128	I44-F61 HydrophobicContact CD1-CB 4.35Å; I44-F61 HydrophobicContact CD1-CD1 3.46Å; I44-F61 VanDerWaalsContact CD1-CD1 3.46Å; I44-F61 HydrophobicContact CD1-CE1 3.98Å; I44-F61 HydrophobicContact CD1-CG 4.13Å; I44-F61 HydrophobicContact CG1-CD1 3.75Å; I44-F61 HydrophobicContact CG1-CE1 4.02Å; L49-F61 VanDerWaalsContact CD2-CA 3.44Å; P52-F61 WeakPolarHBondContact CA-O 3.32Å; K53-F61 PolarHBondContact N-O 3.36Å; K53-F61 PolarHBondContact O-N 3.48Å; L55-F61 HydrophobicContact CD1-CD2 4.1Å; L55-F61 HydrophobicContact CD1-CE2 3.63Å; L55-F61 HydrophobicContact CG-CD2 4.17Å; L55-F61 HydrophobicContact CG-CE2 4.08Å; H59-F61 HydrophobicContact CB-CE2 3.82Å; H59-F61 HydrophobicContact CB-CZ 4.24Å; F61-C63 PolarHBondContact O-N 2.88Å; F61-L66 HydrophobicContact CB-CD1 3.81Å; F61-L66 HydrophobicContact CB-CD2 4.34Å; F61-L66 HydrophobicContact CB-CG 3.69Å; F61-L66 HydrophobicContact CD2-CD1 4.11Å; F61-L66 HydrophobicContact CD2-CD2 3.98Å; F61-L66 HydrophobicContact CD2-CG 4.17Å; F61-L66 HydrophobicContact CG-CD1 4.35Å; F61-L66 HydrophobicContact CG-CD2 4.22Å; F61-L66 HydrophobicContact CG-CG 4.11Å; F61-P127 HydrophobicContact CE1-CB 3.84Å; F61-P127 HydrophobicContact CE1-CG 3.96Å; F61-P127 HydrophobicContact CZ-CB 3.9Å; F61-P127 HydrophobicContact CZ-CG 3.86Å; F61-I128 HydrophobicContact CE1-CD1 3.55Å; F61-I128 HydrophobicContact CE1-CG1 3.88Å; F61-I128 HydrophobicContact CE2-CD1 4.28Å; F61-I128 HydrophobicContact CZ-CD1 3.34Å; F61-I128 HydrophobicContact CZ-CG1 3.7Å
62	C	88.8	Confident	83.7	Confident	3 Å²	3	46.8 Å²	46.8	2%	0.02	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	132.8	169	-58.3	0	0	0	0	110.1	C42 D45 D50 K64 C65 L66	C42-C62 WeakPolarHBondContact CB-SG 3.15Å; C42-C62 PolarHBondContact SG-N 2.92Å; C42-C62 VanDerWaalsContact SG-N 3.37Å; C42-C62 VanDerWaalsContact SG-SG 3.62Å; D45-C62 PolarHBondContact OD2-SG 3.47Å; D50-C62 PolarHBondContact N-SG 2.9Å; D50-C62 WeakPolarHBondContact O-CA 3.22Å; D50-C62 WeakPolarHBondContact O-CB 3.31Å; C62-K64 VanDerWaalsContact C-N 3.26Å; C62-K64 PolarHBondContact O-N 3.39Å; C62-C65 HydrophobicContact CB-CB 4.01Å; C62-C65 PolarHBondContact O-N 2.66Å; C62-L66 PolarHBondContact O-N 2.95Å; C62-L66 VanDerWaalsContact O-N 3.07Å
63	C	89.1	Confident	82.8	Confident	5 Å²	5	48.5 Å²	48.5	3%	0.034	24%	0.243	C	C	.	.	H	α-helix	trans	-53.1	-44.8	179.4	-174.8	0	0	0	0	112.2	D50 N51 K53 F61 C65 L66 N67 D142	D50-C63 PolarHBondContact O-N 3.28Å; N51-C63 HydrophobicContact CB-CB 4.08Å; N51-C63 WeakPolarHBondContact O-CB 3.37Å; N51-C63 PolarHBondContact O-N 3.44Å; N51-C63 VanDerWaalsContact O-N 3.12Å; K53-C63 HydrophobicContact CG-CB 3.74Å; F61-C63 PolarHBondContact O-N 2.88Å; C63-C65 PolarHBondContact O-N 3.12Å; C63-L66 PolarHBondContact O-N 3.04Å; C63-N67 PolarHBondContact O-N 2.77Å; C63-D142 PolarHBondContact SG-OD1 3.03Å
64	K	90.3	Very high	81.5	Confident	132 Å²	132	53 Å²	53	57%	0.574	28%	0.275	S	S	*	.	H	α-helix	trans	-56.8	-34.2	176.4	-66	168.3	179.4	163.9	0	113.2	D50 C62 K68	D50-K64 VanDerWaalsContact OD2-CE 3.28Å; D50-K64 WeakPolarHBondContact OD2-CE 3.45Å; D50-K64 IonicContact OD2-NZ 3.59Å; D50-K64 PolarHBondContact OD2-NZ 3.22Å; C62-K64 VanDerWaalsContact C-N 3.26Å; C62-K64 PolarHBondContact O-N 3.39Å; K64-K68 WeakPolarHBondContact O-CG 3.31Å; K64-K68 PolarHBondContact O-N 2.9Å; K64-K68 VanDerWaalsContact O-N 3.15Å
65	C	90.5	Very high	80	Confident	17 Å²	17	55.7 Å²	55.7	12%	0.115	30%	0.295	C	S	.	.	H	α-helix	trans	-86.4	-31.5	-175.5	-66.5	0	0	0	0	112.4	I44 D45 C62 C63 Y69	I44-C65 HydrophobicContact CB-CB 3.93Å; I44-C65 HydrophobicContact CD1-CB 3.9Å; I44-C65 HydrophobicContact CG2-CB 3.81Å; D45-C65 PolarHBondContact OD2-SG 3.15Å; C62-C65 HydrophobicContact CB-CB 4.01Å; C62-C65 PolarHBondContact O-N 2.66Å; C63-C65 PolarHBondContact O-N 3.12Å; C65-Y69 WeakPolarHBondContact O-CB 3.2Å; C65-Y69 PolarHBondContact O-N 3.07Å
66	L	86.4	Confident	78.4	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-65	-41.4	165.2	-81.3	169.3	0	0	0	111.9	K53 L55 F61 C62 C63 Y69 M70 F124 A141	K53-L66 HydrophobicContact CB-CD1 3.93Å; L55-L66 HydrophobicContact CD1-CD2 4.12Å; L55-L66 HydrophobicContact CD2-CD1 3.98Å; L55-L66 HydrophobicContact CD2-CD2 4.09Å; L55-L66 HydrophobicContact CG-CD1 4.44Å; L55-L66 HydrophobicContact CG-CD2 4.38Å; F61-L66 HydrophobicContact CB-CD1 3.81Å; F61-L66 HydrophobicContact CB-CD2 4.34Å; F61-L66 HydrophobicContact CB-CG 3.69Å; F61-L66 HydrophobicContact CD2-CD1 4.11Å; F61-L66 HydrophobicContact CD2-CD2 3.98Å; F61-L66 HydrophobicContact CD2-CG 4.17Å; F61-L66 HydrophobicContact CG-CD1 4.35Å; F61-L66 HydrophobicContact CG-CD2 4.22Å; F61-L66 HydrophobicContact CG-CG 4.11Å; C62-L66 PolarHBondContact O-N 2.95Å; C62-L66 VanDerWaalsContact O-N 3.07Å; C63-L66 PolarHBondContact O-N 3.04Å; L66-Y69 WeakPolarHBondContact O-CB 3.44Å; L66-Y69 PolarHBondContact O-N 2.83Å; L66-Y69 VanDerWaalsContact O-N 3.14Å; L66-M70 WeakPolarHBondContact O-CB 3.47Å; L66-M70 VanDerWaalsContact O-CG 3.27Å; L66-M70 WeakPolarHBondContact O-CG 3.4Å; L66-M70 PolarHBondContact O-N 2.7Å; L66-F124 HydrophobicContact CD2-CE2 4.32Å; L66-A141 HydrophobicContact CB-CB 3.5Å; L66-A141 VanDerWaalsContact CB-CB 3.5Å; L66-A141 HydrophobicContact CD1-CB 4.28Å
67	N	87.8	Confident	76.5	Confident	32 Å²	32	59.2 Å²	59.2	17%	0.171	32%	0.32	C	S	.	.	H	α-helix	trans	-57.8	-52.8	174.3	-76	-13	0	0	0	111.4	C63 Y69 M70 E71 N140 A141	C63-N67 PolarHBondContact O-N 2.77Å; N67-Y69 PolarHBondContact O-N 2.94Å; N67-M70 PolarHBondContact O-N 2.74Å; N67-M70 VanDerWaalsContact O-N 3.1Å; N67-E71 WeakPolarHBondContact O-CB 3.5Å; N67-E71 VanDerWaalsContact O-CG 3.25Å; N67-E71 WeakPolarHBondContact O-CG 3.2Å; N67-E71 PolarHBondContact O-N 3.13Å; N67-N140 PolarHBondContact ND2-OD1 2.96Å; N67-N140 PolarHBondContact OD1-OD1 3.02Å; N67-N140 VanDerWaalsContact OD1-OD1 3.05Å; N67-A141 WeakPolarHBondContact OD1-CB 3.34Å; N67-A141 PolarHBondContact OD1-N 3.29Å
68	K	87	Confident	74.5	Confident	136 Å²	136	62.7 Å²	62.7	59%	0.591	34%	0.342	S	S	*	.	H	α-helix	trans	-60.7	-25.9	175.5	-73.6	-178.8	177.5	-176.5	0	114.5	K64 K72	K64-K68 WeakPolarHBondContact O-CG 3.31Å; K64-K68 PolarHBondContact O-N 2.9Å; K64-K68 VanDerWaalsContact O-N 3.15Å; K68-K72 WeakPolarHBondContact O-CD 3.25Å; K68-K72 VanDerWaalsContact O-CG 3.28Å; K68-K72 WeakPolarHBondContact O-CG 3.27Å
69	Y	86.2	Confident	72.6	Confident	69 Å²	69	67.4 Å²	67.4	27%	0.271	36%	0.364	S	S	.	.	H	α-helix	trans	-75.4	-45.4	173.7	-173.6	-95.2	0	0	0	111	C65 L66 N67 K72 L73 F124 P125 P127	C65-Y69 WeakPolarHBondContact O-CB 3.2Å; C65-Y69 PolarHBondContact O-N 3.07Å; L66-Y69 WeakPolarHBondContact O-CB 3.44Å; L66-Y69 PolarHBondContact O-N 2.83Å; L66-Y69 VanDerWaalsContact O-N 3.14Å; N67-Y69 PolarHBondContact O-N 2.94Å; Y69-K72 PolarHBondContact O-N 3.48Å; Y69-L73 HydrophobicContact CE1-CD2 4.34Å; Y69-F124 HydrophobicContact CD1-CD2 4.16Å; Y69-F124 HydrophobicContact CD1-CE2 4.49Å; Y69-F124 HydrophobicContact CE1-CD2 4.02Å; Y69-P125 WeakPolarHBondContact CE1-O 3.39Å; Y69-P125 PolarHBondContact OH-O 2.86Å; Y69-P127 HydrophobicContact CD1-CG 3.95Å; Y69-P127 HydrophobicContact CD2-CB 4.46Å; Y69-P127 HydrophobicContact CD2-CG 3.94Å; Y69-P127 HydrophobicContact CE1-CG 3.92Å; Y69-P127 HydrophobicContact CE2-CB 4.16Å; Y69-P127 HydrophobicContact CE2-CG 3.9Å; Y69-P127 HydrophobicContact CG-CG 3.96Å
70	M	83.1	Confident	70.4	Confident	18 Å²	18	73.9 Å²	73.9	9%	0.089	40%	0.399	C	S	.	.	H	α-helix	trans	-70.6	-33.1	-179.5	-67.1	173.4	64.3	0	0	113	L66 N67 K72 L73 F124 I135 A141 F144	L66-M70 WeakPolarHBondContact O-CB 3.47Å; L66-M70 VanDerWaalsContact O-CG 3.27Å; L66-M70 WeakPolarHBondContact O-CG 3.4Å; L66-M70 PolarHBondContact O-N 2.7Å; N67-M70 PolarHBondContact O-N 2.74Å; N67-M70 VanDerWaalsContact O-N 3.1Å; M70-K72 VanDerWaalsContact C-N 3.25Å; M70-K72 PolarHBondContact O-N 3.47Å; M70-L73 HydrophobicContact CB-CD1 4.42Å; M70-L73 HydrophobicContact CG-CD1 4.49Å; M70-L73 WeakPolarHBondContact O-CB 3.39Å; M70-L73 PolarHBondContact O-N 3.36Å; M70-F124 HydrophobicContact CE-CD1 4.41Å; M70-F124 HydrophobicContact CE-CE1 3.98Å; M70-F124 HydrophobicContact CE-CZ 4.43Å; M70-F124 HydrophobicContact CG-CD2 4.39Å; M70-F124 HydrophobicContact CG-CE1 4.37Å; M70-F124 HydrophobicContact CG-CE2 4.19Å; M70-F124 HydrophobicContact CG-CZ 4.17Å; M70-F124 HydrophobicContact SD-CE1 3.97Å; M70-F124 HydrophobicContact SD-CE2 4.38Å; M70-F124 HydrophobicContact SD-CZ 3.81Å; M70-I135 HydrophobicContact CE-CB 4.33Å; M70-I135 HydrophobicContact CE-CG1 4.23Å; M70-I135 HydrophobicContact CE-CG2 3.84Å; M70-A141 HydrophobicContact SD-CB 4.49Å; M70-F144 HydrophobicContact SD-CE2 4.19Å
71	E	81.6	Confident	67.8	Low	147 Å²	147	78.1 Å²	78.1	69%	0.687	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.6	171.8	-74.5	165	-178.9	0	0	113.1	N67	N67-E71 WeakPolarHBondContact O-CB 3.5Å; N67-E71 VanDerWaalsContact O-CG 3.25Å; N67-E71 WeakPolarHBondContact O-CG 3.2Å; N67-E71 PolarHBondContact O-N 3.13Å
72	K	75.9	Confident	65.2	Low	178 Å²	178	89.2 Å²	89.2	77%	0.774	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-6.9	178.8	-75.6	178.4	177.8	-171	0	114	K68 Y69 M70	K68-K72 WeakPolarHBondContact O-CD 3.25Å; K68-K72 VanDerWaalsContact O-CG 3.28Å; K68-K72 WeakPolarHBondContact O-CG 3.27Å; Y69-K72 PolarHBondContact O-N 3.48Å; M70-K72 VanDerWaalsContact C-N 3.25Å; M70-K72 PolarHBondContact O-N 3.47Å
73	L	68.8	Low	62.3	Low	45 Å²	45	96.5 Å²	96.5	24%	0.236	52%	0.515	C	S	.	.	S	Bend	trans	-71.4	137.4	174.4	-59.8	170.2	0	0	0	108.9	Y69 M70 F124 I135	Y69-L73 HydrophobicContact CE1-CD2 4.34Å; M70-L73 HydrophobicContact CB-CD1 4.42Å; M70-L73 HydrophobicContact CG-CD1 4.49Å; M70-L73 WeakPolarHBondContact O-CB 3.39Å; M70-L73 PolarHBondContact O-N 3.36Å; L73-F124 HydrophobicContact CD1-CB 3.36Å; L73-F124 HydrophobicContact CD1-CG 4.1Å; L73-F124 HydrophobicContact CD2-CB 4.42Å; L73-I135 HydrophobicContact CD1-CD1 4.38Å
74	P	57.8	Low	59.8	Low	115 Å²	115	101.8 Å²	101.8	75%	0.747	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-58.6	135.6	176.8	24.9	-33.5	0	0	0	109.5	S76	P74-S76 PolarHBondContact O-N 3.09Å
75	P	52.7	Low	56.9	Low	109 Å²	109	103.2 Å²	103.2	71%	0.708	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-59.6	125.7	175.4	25.2	-32.9	0	0	0	108.7
76	S	45.9	Very low	54.3	Low	62 Å²	62	109.4 Å²	109.4	43%	0.434	60%	0.597	S	S	.	*			trans	-44.9	126	177.3	52.2	0	0	0	0	110.3	P74	P74-S76 PolarHBondContact O-N 3.09Å
77	P	35.9	Very low	51.6	Low	112 Å²	112	113.6 Å²	113.6	73%	0.727	63%	0.632	S	S	*	*			trans	-57.8	141.6	-174.8	23.9	-33.9	0	0	0	110.1	T79	P77-T79 PolarHBondContact O-N 3.18Å
78	P	33.4	Very low	49.1	Very low	98 Å²	98	117.3 Å²	117.3	64%	0.636	66%	0.66	S	S	*	*			trans	-60	134.8	179.9	26	-34	0	0	0	109.5	N80	P78-N80 VanDerWaalsContact C-N 3.26Å; P78-N80 PolarHBondContact O-N 3.36Å
79	T	34.2	Very low	46.4	Very low	132 Å²	132	117.6 Å²	117.6	81%	0.81	67%	0.668	S	S	*	*			trans	-68.2	84.5	-179.6	-36.6	0	0	0	0	109.5	P77 A81	P77-T79 PolarHBondContact O-N 3.18Å; T79-A81 PolarHBondContact O-N 2.77Å
80	N	32.4	Very low	43.9	Very low	140 Å²	140	120.5 Å²	120.5	75%	0.749	69%	0.688	S	S	*	*			trans	-63.9	104.9	-171.2	-86.6	-24.8	0	0	0	111.3	P78 R82	P78-N80 VanDerWaalsContact C-N 3.26Å; P78-N80 PolarHBondContact O-N 3.36Å; N80-R82 PolarHBondContact O-N 2.89Å
81	A	28.4	Very low	41.6	Very low	91 Å²	91	126.3 Å²	126.3	75%	0.752	72%	0.72	S	S	*	*			trans	-62.5	101.7	171.9	0	0	0	0	0	109.8	T79 N83	T79-A81 PolarHBondContact O-N 2.77Å; A81-N83 VanDerWaalsContact C-N 3.3Å; A81-N83 PolarHBondContact O-N 3.16Å
82	R	32.7	Very low	39.2	Very low	233 Å²	233	123.9 Å²	123.9	88%	0.879	72%	0.719	S	S	*	*			trans	-82.3	72.7	-174.2	-155.1	174.6	-156.9	160.6	5.8	111.9	N80 T84	N80-R82 PolarHBondContact O-N 2.89Å; R82-T84 PolarHBondContact O-N 2.77Å
83	N	28.6	Very low	37.5	Very low	155 Å²	155	123.8 Å²	123.8	83%	0.829	72%	0.721	S	S	*	*			trans	-72.7	98.4	167.5	-83	-11.8	0	0	0	110.4	A81	A81-N83 VanDerWaalsContact C-N 3.3Å; A81-N83 PolarHBondContact O-N 3.16Å
84	T	35.4	Very low	35.7	Very low	117 Å²	117	128 Å²	128	72%	0.718	74%	0.744	S	S	*	*			trans	-139	82.8	163.3	10.6	0	0	0	0	112	R82	R82-T84 PolarHBondContact O-N 2.77Å
85	I	30.4	Very low	34.7	Very low	161 Å²	161	128.6 Å²	128.6	83%	0.826	74%	0.741	S	S	*	*			trans	0.5	119.7	149.1	-52	169.6	0	0	0	116.2
86	T	35.1	Very low	33.7	Very low	148 Å²	148	130.2 Å²	130.2	91%	0.908	74%	0.744	S	S	*	*			trans	-133.3	147.9	138.1	27.6	0	0	0	0	108.4
87	A	29.5	Very low	33.2	Very low	88 Å²	88	132.4 Å²	132.4	73%	0.727	76%	0.759	S	S	*	*			trans	-111	148.1	-159.5	0	0	0	0	0	114.3
88	S	36.2	Very low	33.1	Very low	110 Å²	110	137.8 Å²	137.8	77%	0.769	76%	0.764	S	S	*	*			trans	-178.6	130.9	132.9	-81.5	0	0	0	0	112.7
89	N	31	Very low	33.2	Very low	141 Å²	141	140.3 Å²	140.3	75%	0.754	77%	0.773	S	S	*	*			trans	34.5	128.6	133.3	-62.1	3.1	0	0	0	118.8
90	N	33.3	Very low	33.1	Very low	130 Å²	130	139.4 Å²	139.4	70%	0.695	76%	0.763	S	S	*	*			cis	-171.5	169	28.9	-103.4	-12.9	0	0	0	113.7
91	N	33.8	Very low	33.4	Very low	140 Å²	140	140 Å²	140	75%	0.749	76%	0.761	S	S	*	*			trans	71	101.3	151.1	-64.6	-5	0	0	0	123.2
92	S	31.9	Very low	33.7	Very low	97 Å²	97	142 Å²	142	68%	0.678	76%	0.759	S	S	*	*				27.4	118.1	124.5	-53.7	0	0	0	0	122.6
93	H	40.5	Very low	33.7	Very low	175 Å²	175	137.3 Å²	137.3	81%	0.81	75%	0.751	S	S	*	*				178.5	123.2	96.6	-85.6	-56	0	0	0	110.7
94	N	31.4	Very low	33.8	Very low	133 Å²	133	136.7 Å²	136.7	71%	0.711	75%	0.748	S	S	*	*				55.9	99.7	92.1	-101.6	15.5	0	0	0	116.9
95	N	35	Very low	33.7	Very low	128 Å²	128	136.2 Å²	136.2	68%	0.684	75%	0.745	S	S	*	*				164.6	124.5	97.8	-86.4	-29.1	0	0	0	116.6
96	N	32	Very low	33.6	Very low	144 Å²	144	135.2 Å²	135.2	77%	0.77	74%	0.742	S	S	*	*			trans	57.8	148.2	132.9	-68.6	-30.9	0	0	0	126
97	S	36.8	Very low	33.3	Very low	107 Å²	107	135 Å²	135	75%	0.748	74%	0.74	S	S	*	*			trans	70	123.4	162.3	-64.5	0	0	0	0	117.8
98	R	32.7	Very low	33.4	Very low	225 Å²	225	134.3 Å²	134.3	85%	0.849	74%	0.741	S	S	*	*			cis	95.8	132.5	34.8	-80.1	-174.1	166.9	160.4	-3.3	113.9
99	N	35.1	Very low	33	Very low	152 Å²	152	136.2 Å²	136.2	81%	0.813	74%	0.743	S	S	*	*			trans	73	154.7	159.3	-59.7	-1.7	0	0	0	118.3
100	N	33.4	Very low	32.8	Very low	112 Å²	112	136.8 Å²	136.8	60%	0.599	75%	0.745	S	S	*	*			cis	-169.3	142.5	-34.4	-169.8	23.3	0	0	0	109.8
101	H	37.4	Very low	32.9	Very low	153 Å²	153	140 Å²	140	71%	0.708	76%	0.756	S	S	*	*			trans	59.6	170	168.8	-60.5	-28.6	0	0	0	116.4
102	N	35	Very low	32.6	Very low	132 Å²	132	140 Å²	140	71%	0.706	76%	0.756	S	S	*	*			cis	-144.5	-176.6	0.2	-140.8	-19.4	0	0	0	113
103	N	33.7	Very low	32.5	Very low	136 Å²	136	143.4 Å²	143.4	73%	0.727	76%	0.761	S	S	*	*			trans	-90.8	157.7	-162.8	-56.6	-50.1	0	0	0	118.3
104	N	31.1	Very low	31.9	Very low	141 Å²	141	145.8 Å²	145.8	75%	0.754	76%	0.763	S	S	*	*			trans	93.6	126.3	131.5	-90.2	2.7	0	0	0	125.3
105	T	32.1	Very low	31.7	Very low	107 Å²	107	147 Å²	147	66%	0.656	77%	0.77	S	S	*	*			trans	66.4	105.4	137.5	56.2	0	0	0	0	122.6
106	N	29.1	Very low	31.3	Very low	141 Å²	141	144.9 Å²	144.9	75%	0.754	78%	0.778	S	S	*	*				129.5	140.6	96.5	-102.2	-0.2	0	0	0	119
107	T	29.3	Very low	31.2	Very low	142 Å²	142	147 Å²	147	87%	0.871	78%	0.78	S	S	*	*			trans	64.8	131.3	161.9	57.5	0	0	0	0	119.6
108	G	30.3	Very low	31.1	Very low	74 Å²	74	147.3 Å²	147.3	76%	0.763	78%	0.782	S	S	*	*			trans	146.4	60.6	165.3	0	0	0	0	0	118.9
109	N	27.2	Very low	31.3	Very low	151 Å²	151	143.2 Å²	143.2	81%	0.807	78%	0.777	S	S	*	*			trans	32.7	133.2	150.9	-75.3	0.9	0	0	0	123.6
110	L	28	Very low	31.6	Very low	152 Å²	152	144.3 Å²	144.3	80%	0.796	78%	0.777	S	S	*	*			trans	56.8	106.7	151.7	-80.5	114.6	0	0	0	119.3
111	Q	34.6	Very low	32.6	Very low	198 Å²	198	147.2 Å²	147.2	93%	0.925	79%	0.785	S	S	*	*				-163.4	162.4	115.8	-109.5	167.7	11.4	0	0	112.8
112	D	27.7	Very low	34.1	Very low	139 Å²	139	142.7 Å²	142.7	74%	0.743	77%	0.768	S	S	*	*			trans	-81.1	169.7	-173.1	-81.2	-76.4	0	0	0	115.2
113	H	30.4	Very low	36.4	Very low	169 Å²	169	139.1 Å²	139.1	78%	0.782	75%	0.753	S	S	*	*			trans	94	130.9	159.2	-62.2	-47.9	0	0	0	120.7
114	R	28.5	Very low	38.8	Very low	225 Å²	225	132.7 Å²	132.7	85%	0.849	72%	0.719	S	S	*	*			trans	68.3	89.9	149.9	-65.1	164	-175.6	-171.6	1.2	118.4
115	N	27.2	Very low	41.3	Very low	160 Å²	160	128.2 Å²	128.2	86%	0.856	70%	0.698	S	S	*	*				-164.1	88.5	106.6	-104.3	-36.8	0	0	0	113	K117	N115-K117 VanDerWaalsContact C-N 3.31Å; N115-K117 PolarHBondContact O-N 3.05Å; N115-K117 VanDerWaalsContact O-N 3.13Å
116	G	26.4	Very low	43.6	Very low	83 Å²	83	123.2 Å²	123.2	86%	0.856	67%	0.667	S	S	*	*			trans	-83.9	59.8	175.4	0	0	0	0	0	113.5	S118	G116-S118 PolarHBondContact O-N 2.9Å
117	K	28.8	Very low	45.9	Very low	189 Å²	189	118.5 Å²	118.5	82%	0.822	64%	0.644	S	S	*	*			trans	-74.2	105.4	164.3	-90.7	-172.1	173.6	-177.5	0	108.4	N115 N119	N115-K117 VanDerWaalsContact C-N 3.31Å; N115-K117 PolarHBondContact O-N 3.05Å; N115-K117 VanDerWaalsContact O-N 3.13Å; K117-N119 PolarHBondContact O-N 2.85Å
118	S	35.8	Very low	48	Very low	113 Å²	113	114.6 Å²	114.6	79%	0.79	62%	0.617	S	S	*	*			trans	-71.4	97	177.1	51.8	0	0	0	0	110.6	G116 E120	G116-S118 PolarHBondContact O-N 2.9Å; S118-E120 PolarHBondContact O-N 2.92Å
119	N	35.2	Very low	50.1	Low	139 Å²	139	112.9 Å²	112.9	74%	0.743	59%	0.593	S	S	*	*			trans	-54.9	133.7	158.6	-71.1	-3.6	0	0	0	108.4	K117 K121	K117-N119 PolarHBondContact O-N 2.85Å; N119-K121 PolarHBondContact O-N 2.93Å
120	E	43.4	Very low	52.6	Low	174 Å²	174	112.8 Å²	112.8	81%	0.813	58%	0.581	S	S	*	*			trans	-62.5	96.8	174.4	-69	178.4	107.7	0	0	109.6	S118 T122	S118-E120 PolarHBondContact O-N 2.92Å; E120-T122 VanDerWaalsContact C-N 3.33Å; E120-T122 PolarHBondContact O-N 3.14Å
121	K	52.8	Low	54.8	Low	174 Å²	174	107.6 Å²	107.6	76%	0.757	56%	0.56	S	S	*	*			trans	-72.9	93.2	172.6	-72	-178.8	179.6	177.2	0	107.9	N119 S123	N119-K121 PolarHBondContact O-N 2.93Å; K121-S123 PolarHBondContact O-N 3.38Å
122	T	70.2	Confident	57.1	Low	57 Å²	57	104.3 Å²	104.3	35%	0.35	55%	0.548	S	S	.	.			trans	-41	125.2	169.3	51.8	0	0	0	0	109.8	E120 I135	E120-T122 VanDerWaalsContact C-N 3.33Å; E120-T122 PolarHBondContact O-N 3.14Å; T122-I135 VanDerWaalsContact O-CB 3.24Å; T122-I135 WeakPolarHBondContact O-CB 3.44Å; T122-I135 WeakPolarHBondContact O-CG1 3.35Å; T122-I135 PolarHBondContact O-N 3.11Å
123	S	82.1	Confident	59.6	Low	58 Å²	58	97.8 Å²	97.8	41%	0.406	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	163.1	-176.1	59.4	0	0	0	0	110.2	K121 C133	K121-S123 PolarHBondContact O-N 3.38Å; S123-C133 CarbonylContact C-O 3.59Å; S123-C133 WeakPolarHBondContact CA-O 3.43Å; S123-C133 VanDerWaalsContact CB-O 3.28Å; S123-C133 WeakPolarHBondContact CB-O 3.38Å
124	F	83.8	Confident	61.9	Low	1 Å²	1	92.5 Å²	92.5	0%	0.004	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	146.5	-179.2	68.2	-80.6	0	0	0	111.1	L55 L66 Y69 M70 L73 L132 C133 I135 F144	L55-F124 HydrophobicContact CD1-CE2 4.21Å; L55-F124 HydrophobicContact CD1-CZ 4.48Å; L55-F124 HydrophobicContact CD2-CE2 4.39Å; L55-F124 HydrophobicContact CD2-CZ 3.89Å; L66-F124 HydrophobicContact CD2-CE2 4.32Å; Y69-F124 HydrophobicContact CD1-CD2 4.16Å; Y69-F124 HydrophobicContact CD1-CE2 4.49Å; Y69-F124 HydrophobicContact CE1-CD2 4.02Å; M70-F124 HydrophobicContact CE-CD1 4.41Å; M70-F124 HydrophobicContact CE-CE1 3.98Å; M70-F124 HydrophobicContact CE-CZ 4.43Å; M70-F124 HydrophobicContact CG-CD2 4.39Å; M70-F124 HydrophobicContact CG-CE1 4.37Å; M70-F124 HydrophobicContact CG-CE2 4.19Å; M70-F124 HydrophobicContact CG-CZ 4.17Å; M70-F124 HydrophobicContact SD-CE1 3.97Å; M70-F124 HydrophobicContact SD-CE2 4.38Å; M70-F124 HydrophobicContact SD-CZ 3.81Å; L73-F124 HydrophobicContact CD1-CB 3.36Å; L73-F124 HydrophobicContact CD1-CG 4.1Å; L73-F124 HydrophobicContact CD2-CB 4.42Å; F124-L132 WeakPolarHBondContact O-CA 3.35Å; F124-C133 HydrophobicContact CD1-CB 4.05Å; F124-C133 WeakPolarHBondContact CD1-O 3.2Å; F124-C133 HydrophobicContact CD2-CB 4.47Å; F124-C133 HydrophobicContact CE1-CB 3.67Å; F124-C133 HydrophobicContact CE2-CB 4.11Å; F124-C133 HydrophobicContact CG-CB 4.45Å; F124-C133 HydrophobicContact CZ-CB 3.71Å; F124-C133 PolarHBondContact N-O 3.12Å; F124-C133 PolarHBondContact O-N 3.3Å; F124-I135 HydrophobicContact CB-CG1 4.47Å; F124-I135 HydrophobicContact CD1-CG1 3.6Å; F124-I135 HydrophobicContact CE1-CG1 4.31Å; F124-I135 HydrophobicContact CG-CG1 4.46Å; F124-F144 HydrophobicContact CE1-CE2 4.23Å; F124-F144 AromaticContact CE1-CZ 3.82Å; F124-F144 HydrophobicContact CE1-CZ 3.82Å; F124-F144 AromaticContact CZ-CE2 3.96Å; F124-F144 HydrophobicContact CZ-CE2 3.96Å; F124-F144 AromaticContact CZ-CZ 3.84Å; F124-F144 HydrophobicContact CZ-CZ 3.84Å
125	P	84.6	Confident	64.4	Low	47 Å²	47	83.5 Å²	83.5	31%	0.305	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	136.9	174.9	28.4	-33.8	0	0	0	110.7	Y69 R130	Y69-P125 WeakPolarHBondContact CE1-O 3.39Å; Y69-P125 PolarHBondContact OH-O 2.86Å; P125-R130 VanDerWaalsContact CA-O 3.3Å; P125-R130 WeakPolarHBondContact CA-O 3.37Å; P125-R130 HydrophobicContact CB-CB 4.2Å; P125-R130 WeakPolarHBondContact CB-O 3.31Å
126	C	81.2	Confident	66.6	Low	1 Å²	1	77 Å²	77	1%	0.007	43%	0.429	C	S	.	.			trans	-56.8	133.6	167	173.8	0	0	0	0	110.5	L55 I128 C129 R130 A131	L55-C126 HydrophobicContact CD1-CB 4.1Å; C126-I128 PolarHBondContact O-N 2.9Å; C126-C129 VanDerWaalsContact SG-SG 3.65Å; C126-R130 WeakPolarHBondContact O-CA 3.44Å; C126-R130 PolarHBondContact O-N 3.4Å; C126-A131 PolarHBondContact N-O 3.23Å
127	P	75.9	Confident	68.7	Low	43 Å²	43	78.4 Å²	78.4	28%	0.279	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-18	178.6	-26.7	33.1	0	0	0	116	I44 F61 Y69	I44-P127 HydrophobicContact CD1-CG 4.15Å; I44-P127 HydrophobicContact CG1-CB 4.45Å; F61-P127 HydrophobicContact CE1-CB 3.84Å; F61-P127 HydrophobicContact CE1-CG 3.96Å; F61-P127 HydrophobicContact CZ-CB 3.9Å; F61-P127 HydrophobicContact CZ-CG 3.86Å; Y69-P127 HydrophobicContact CD1-CG 3.95Å; Y69-P127 HydrophobicContact CD2-CB 4.46Å; Y69-P127 HydrophobicContact CD2-CG 3.94Å; Y69-P127 HydrophobicContact CE1-CG 3.92Å; Y69-P127 HydrophobicContact CE2-CB 4.16Å; Y69-P127 HydrophobicContact CE2-CG 3.9Å; Y69-P127 HydrophobicContact CG-CG 3.96Å
128	I	74.4	Confident	70.9	Confident	59 Å²	59	73.9 Å²	73.9	30%	0.303	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-74.2	-179.4	-58.7	159.2	0	0	0	109.6	P43 H59 F61 C126 R130 S195	P43-I128 HydrophobicContact CB-CD1 4.24Å; P43-I128 HydrophobicContact CB-CG1 4.29Å; P43-I128 HydrophobicContact CG-CD1 3.72Å; P43-I128 HydrophobicContact CG-CG1 4.28Å; H59-I128 HydrophobicContact CB-CD1 4.08Å; H59-I128 WeakPolarHBondContact CD2-CD1 3.48Å; F61-I128 HydrophobicContact CE1-CD1 3.55Å; F61-I128 HydrophobicContact CE1-CG1 3.88Å; F61-I128 HydrophobicContact CE2-CD1 4.28Å; F61-I128 HydrophobicContact CZ-CD1 3.34Å; F61-I128 HydrophobicContact CZ-CG1 3.7Å; C126-I128 PolarHBondContact O-N 2.9Å; I128-R130 PolarHBondContact O-N 3.15Å; I128-S195 WeakPolarHBondContact CD1-OG 3.34Å
129	C	74.5	Confident	72.7	Confident	39 Å²	39	75.8 Å²	75.8	26%	0.264	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	6.3	-173.7	64.1	0	0	0	0	115.1	H59 C126 A131	H59-C129 PolarHBondContact ND1-SG 2.64Å; C126-C129 VanDerWaalsContact SG-SG 3.65Å; C129-A131 PolarHBondContact O-N 3.33Å
130	R	78.3	Confident	74.8	Confident	148 Å²	148	71.6 Å²	71.6	56%	0.558	39%	0.389	S	S	*	.			trans	56	-1.4	178.8	-59.7	-179.2	-179.2	178.6	-0.4	117.7	P125 C126 I128 L132 N558	P125-R130 VanDerWaalsContact CA-O 3.3Å; P125-R130 WeakPolarHBondContact CA-O 3.37Å; P125-R130 HydrophobicContact CB-CB 4.2Å; P125-R130 WeakPolarHBondContact CB-O 3.31Å; C126-R130 WeakPolarHBondContact O-CA 3.44Å; C126-R130 PolarHBondContact O-N 3.4Å; I128-R130 PolarHBondContact O-N 3.15Å; R130-L132 PolarHBondContact O-N 3.23Å; R130-N558 PolarHBondContact NH1-OD1 3.01Å; R130-N558 PolarHBondContact NH2-ND2 3.21Å; R130-N558 PolarHBondContact NH2-OD1 2.89Å
131	A	74.9	Confident	76.7	Confident	43 Å²	43	63.3 Å²	63.3	36%	0.355	35%	0.35	S	S	.	.			trans	-51.4	133.4	174.9	0	0	0	0	0	112.1	C57 C126 C129 C133	C57-A131 HydrophobicContact CB-CB 3.81Å; C126-A131 PolarHBondContact N-O 3.23Å; C129-A131 PolarHBondContact O-N 3.33Å; A131-C133 PolarHBondContact O-N 3.45Å; A131-C133 VanDerWaalsContact O-N 3.09Å; A131-C133 PolarHBondContact O-SG 3.07Å
132	L	82.3	Confident	78	Confident	129 Å²	129	58.7 Å²	58.7	68%	0.675	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.4	104.1	-174.2	-67.2	178	0	0	0	111.5	F124 R130	F124-L132 WeakPolarHBondContact O-CA 3.35Å; R130-L132 PolarHBondContact O-N 3.23Å
133	C	80.3	Confident	78.6	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.014	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.7	176.9	-62.1	0	0	0	0	109.6	S123 F124 A131 I135	S123-C133 CarbonylContact C-O 3.59Å; S123-C133 WeakPolarHBondContact CA-O 3.43Å; S123-C133 VanDerWaalsContact CB-O 3.28Å; S123-C133 WeakPolarHBondContact CB-O 3.38Å; F124-C133 HydrophobicContact CD1-CB 4.05Å; F124-C133 WeakPolarHBondContact CD1-O 3.2Å; F124-C133 HydrophobicContact CD2-CB 4.47Å; F124-C133 HydrophobicContact CE1-CB 3.67Å; F124-C133 HydrophobicContact CE2-CB 4.11Å; F124-C133 HydrophobicContact CG-CB 4.45Å; F124-C133 HydrophobicContact CZ-CB 3.71Å; F124-C133 PolarHBondContact N-O 3.12Å; F124-C133 PolarHBondContact O-N 3.3Å; A131-C133 PolarHBondContact O-N 3.45Å; A131-C133 VanDerWaalsContact O-N 3.09Å; A131-C133 PolarHBondContact O-SG 3.07Å; C133-I135 PolarHBondContact O-N 2.93Å
134	P	79.9	Confident	78.6	Confident	59 Å²	59	56.9 Å²	56.9	38%	0.383	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	133.1	178.4	29.2	-33.1	0	0	0	110.3	P136 F144	P134-P136 WeakPolarHBondContact O-CD 3.44Å; P134-F144 WeakPolarHBondContact O-CZ 3.31Å
135	I	79.6	Confident	78.5	Confident	36 Å²	36	60.9 Å²	60.9	19%	0.185	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-68.5	123.6	169.7	-62.4	179.8	0	0	0	107.7	M70 L73 T122 F124 C133 R139	M70-I135 HydrophobicContact CE-CB 4.33Å; M70-I135 HydrophobicContact CE-CG1 4.23Å; M70-I135 HydrophobicContact CE-CG2 3.84Å; L73-I135 HydrophobicContact CD1-CD1 4.38Å; T122-I135 VanDerWaalsContact O-CB 3.24Å; T122-I135 WeakPolarHBondContact O-CB 3.44Å; T122-I135 WeakPolarHBondContact O-CG1 3.35Å; T122-I135 PolarHBondContact O-N 3.11Å; F124-I135 HydrophobicContact CB-CG1 4.47Å; F124-I135 HydrophobicContact CD1-CG1 3.6Å; F124-I135 HydrophobicContact CE1-CG1 4.31Å; F124-I135 HydrophobicContact CG-CG1 4.46Å; C133-I135 PolarHBondContact O-N 2.93Å; I135-R139 HydrophobicContact CG2-CG 4Å
136	P	73.7	Confident	78.4	Confident	22 Å²	22	62.5 Å²	62.5	14%	0.143	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-64.3	150.3	173.8	-19.7	34	0	0	0	111	P134 T138 R139 S143 F144	P134-P136 WeakPolarHBondContact O-CD 3.44Å; P136-T138 PolarHBondContact O-N 2.88Å; P136-R139 WeakPolarHBondContact O-CA 3.41Å; P136-R139 PolarHBondContact O-N 3.46Å; P136-S143 VanDerWaalsContact CB-CB 3.42Å; P136-S143 WeakPolarHBondContact CB-OG 3.37Å; P136-F144 HydrophobicContact CG-CD2 4.39Å; P136-F144 HydrophobicContact CG-CE1 4.2Å; P136-F144 HydrophobicContact CG-CE2 3.86Å; P136-F144 HydrophobicContact CG-CZ 3.74Å
137	A	70.7	Confident	78.5	Confident	114 Å²	114	62.6 Å²	62.6	94%	0.942	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-22.9	-176	0	0	0	0	0	114.4	R139	A137-R139 VanDerWaalsContact C-N 3.31Å
138	T	75.5	Confident	78.7	Confident	94 Å²	94	67.2 Å²	67.2	58%	0.577	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-13	174.8	60	0	0	0	0	114	P136 N140 S143	P136-T138 PolarHBondContact O-N 2.88Å; T138-N140 PolarHBondContact O-N 3.36Å; T138-N140 VanDerWaalsContact O-N 3.07Å; T138-N140 PolarHBondContact OG1-N 3.1Å; T138-N140 VanDerWaalsContact OG1-N 3.13Å; T138-N140 PolarHBondContact OG1-O 2.93Å; T138-S143 PolarHBondContact OG1-OG 3.37Å
139	R	74.1	Confident	78.7	Confident	153 Å²	153	65.5 Å²	65.5	58%	0.577	37%	0.368	S	S	*	.	S	Bend	trans	54.5	9	-163.7	-63	-172.6	171.1	-167.8	-3.7	115.8	I135 P136 A137	I135-R139 HydrophobicContact CG2-CG 4Å; P136-R139 WeakPolarHBondContact O-CA 3.41Å; P136-R139 PolarHBondContact O-N 3.46Å; A137-R139 VanDerWaalsContact C-N 3.31Å
140	N	79.9	Confident	79.1	Confident	50 Å²	50	64.2 Å²	64.2	27%	0.267	36%	0.359	S	S	.	.			trans	-105.6	131.5	177.9	180	-1.3	0	0	0	110.9	N67 T138 D142 S143	N67-N140 PolarHBondContact ND2-OD1 2.96Å; N67-N140 PolarHBondContact OD1-OD1 3.02Å; N67-N140 VanDerWaalsContact OD1-OD1 3.05Å; T138-N140 PolarHBondContact O-N 3.36Å; T138-N140 VanDerWaalsContact O-N 3.07Å; T138-N140 PolarHBondContact OG1-N 3.1Å; T138-N140 VanDerWaalsContact OG1-N 3.13Å; T138-N140 PolarHBondContact OG1-O 2.93Å; N140-D142 PolarHBondContact ND2-OD2 2.95Å; N140-D142 PolarHBondContact O-N 2.82Å; N140-D142 VanDerWaalsContact O-N 3.16Å; N140-D142 PolarHBondContact OD1-N 3.47Å; N140-D142 PolarHBondContact OD1-OD2 3Å; N140-S143 WeakPolarHBondContact O-CB 3.46Å; N140-S143 PolarHBondContact O-N 3.12Å; N140-S143 PolarHBondContact O-OG 3.07Å
141	A	81.4	Confident	79.2	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-61	-14.5	174.9	0	0	0	0	0	114.2	K53 L66 N67 M70 S143 F144	K53-A141 WeakPolarHBondContact CD-O 3.44Å; L66-A141 HydrophobicContact CB-CB 3.5Å; L66-A141 VanDerWaalsContact CB-CB 3.5Å; L66-A141 HydrophobicContact CD1-CB 4.28Å; N67-A141 WeakPolarHBondContact OD1-CB 3.34Å; N67-A141 PolarHBondContact OD1-N 3.29Å; M70-A141 HydrophobicContact SD-CB 4.49Å; A141-S143 PolarHBondContact O-N 3.23Å; A141-S143 VanDerWaalsContact O-N 3.09Å; A141-F144 HydrophobicContact CB-CD2 4.11Å; A141-F144 WeakPolarHBondContact O-CB 3.4Å; A141-F144 PolarHBondContact O-N 3.43Å
142	D	81.7	Confident	79.4	Confident	77 Å²	77	61.1 Å²	61.1	41%	0.412	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-54.6	-26.8	169.6	-82.3	-48	0	0	0	113.3	K53 C63 N140 F144	K53-D142 PolarHBondContact NZ-O 3.1Å; K53-D142 IonicContact NZ-OD1 2.94Å; C63-D142 PolarHBondContact SG-OD1 3.03Å; N140-D142 PolarHBondContact ND2-OD2 2.95Å; N140-D142 PolarHBondContact O-N 2.82Å; N140-D142 VanDerWaalsContact O-N 3.16Å; N140-D142 PolarHBondContact OD1-N 3.47Å; N140-D142 PolarHBondContact OD1-OD2 3Å; D142-F144 VanDerWaalsContact C-N 3.25Å; D142-F144 PolarHBondContact O-N 3.33Å
143	S	81.2	Confident	79.2	Confident	61 Å²	61	55 Å²	55	43%	0.427	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-70	-16.1	177.2	-36	0	0	0	0	114.3	P136 T138 N140 A141	P136-S143 VanDerWaalsContact CB-CB 3.42Å; P136-S143 WeakPolarHBondContact CB-OG 3.37Å; T138-S143 PolarHBondContact OG1-OG 3.37Å; N140-S143 WeakPolarHBondContact O-CB 3.46Å; N140-S143 PolarHBondContact O-N 3.12Å; N140-S143 PolarHBondContact O-OG 3.07Å; A141-S143 PolarHBondContact O-N 3.23Å; A141-S143 VanDerWaalsContact O-N 3.09Å
144	F	83.4	Confident	79.2	Confident	16 Å²	16	55.3 Å²	55.3	7%	0.07	31%	0.314	C	S	.	.	S	Bend	trans	-77.1	150.7	176	-72.1	-64.4	0	0	0	111.3	K53 L55 M70 F124 P134 P136 A141 D142 S146	K53-F144 HydrophobicContact CB-CB 4.11Å; K53-F144 HydrophobicContact CD-CB 4.33Å; K53-F144 VanDerWaalsContact CD-O 3.31Å; K53-F144 WeakPolarHBondContact CD-O 3.28Å; K53-F144 PolarHBondContact NZ-O 2.86Å; L55-F144 HydrophobicContact CD2-CD1 4.23Å; L55-F144 HydrophobicContact CD2-CD2 3.98Å; L55-F144 HydrophobicContact CD2-CE1 4.06Å; L55-F144 HydrophobicContact CD2-CE2 3.8Å; L55-F144 HydrophobicContact CD2-CG 4.21Å; L55-F144 HydrophobicContact CD2-CZ 3.86Å; M70-F144 HydrophobicContact SD-CE2 4.19Å; F124-F144 HydrophobicContact CE1-CE2 4.23Å; F124-F144 AromaticContact CE1-CZ 3.82Å; F124-F144 HydrophobicContact CE1-CZ 3.82Å; F124-F144 AromaticContact CZ-CE2 3.96Å; F124-F144 HydrophobicContact CZ-CE2 3.96Å; F124-F144 AromaticContact CZ-CZ 3.84Å; F124-F144 HydrophobicContact CZ-CZ 3.84Å; P134-F144 WeakPolarHBondContact O-CZ 3.31Å; P136-F144 HydrophobicContact CG-CD2 4.39Å; P136-F144 HydrophobicContact CG-CE1 4.2Å; P136-F144 HydrophobicContact CG-CE2 3.86Å; P136-F144 HydrophobicContact CG-CZ 3.74Å; A141-F144 HydrophobicContact CB-CD2 4.11Å; A141-F144 WeakPolarHBondContact O-CB 3.4Å; A141-F144 PolarHBondContact O-N 3.43Å; D142-F144 VanDerWaalsContact C-N 3.25Å; D142-F144 PolarHBondContact O-N 3.33Å; F144-S146 PolarHBondContact O-N 3.22Å
145	P	81.6	Confident	79.2	Confident	85 Å²	85	56.5 Å²	56.5	55%	0.552	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-52.8	139	172.9	-25.1	34.5	0	0	0	111.6	K53 L54	K53-P145 WeakPolarHBondContact CA-O 3.43Å; L54-P145 PolarHBondContact N-O 3.48Å
146	S	81.8	Confident	79.1	Confident	81 Å²	81	56.1 Å²	56.1	57%	0.566	31%	0.311	S	S	*	.	B	Isolated β-bridge	trans	-68	135.9	168.6	51.9	0	0	0	0	109.6	P52 F144 F148	P52-S146 WeakPolarHBondContact O-CA 3.36Å; F144-S146 PolarHBondContact O-N 3.22Å; S146-F148 PolarHBondContact O-N 2.83Å
147	A	83.6	Confident	79.2	Confident	4 Å²	4	55.2 Å²	55.2	3%	0.033	31%	0.305	C	S	.	.			trans	-79.2	74.2	-179.7	0	0	0	0	0	110.4	P52 L54 A60 N149 H150 K151	P52-A147 HydrophobicContact CB-CB 4.03Å; P52-A147 PolarHBondContact O-N 2.92Å; L54-A147 HydrophobicContact CB-CB 4.03Å; L54-A147 HydrophobicContact CD1-CB 4.04Å; A60-A147 HydrophobicContact CB-CB 4Å; A147-N149 VanDerWaalsContact C-N 3.29Å; A147-N149 PolarHBondContact O-N 2.96Å; A147-N149 VanDerWaalsContact O-N 3.14Å; A147-H150 HydrophobicContact CB-CB 4.14Å; A147-H150 WeakPolarHBondContact O-CB 3.43Å; A147-H150 PolarHBondContact O-N 3.16Å; A147-K151 PolarHBondContact O-N 2.95Å; A147-K151 VanDerWaalsContact O-N 3.1Å
148	F	79.4	Confident	79.3	Confident	139 Å²	139	53.6 Å²	53.6	61%	0.61	28%	0.277	S	S	*	.	H	α-helix	trans	-45.3	-48.2	-171.9	178.2	-101.1	0	0	0	113.6	S146 H150 K151 A152	S146-F148 PolarHBondContact O-N 2.83Å; F148-H150 PolarHBondContact O-N 3.25Å; F148-K151 WeakPolarHBondContact O-CA 3.27Å; F148-K151 WeakPolarHBondContact O-CB 3.45Å; F148-K151 PolarHBondContact O-N 2.82Å; F148-K151 VanDerWaalsContact O-N 3.11Å; F148-A152 PolarHBondContact O-N 2.7Å
149	N	75	Confident	79	Confident	24 Å²	24	54.6 Å²	54.6	13%	0.128	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-38.3	-178.7	-62.8	-8.2	0	0	0	113	A147 K151 A152 I153 L203 N204 V207	A147-N149 VanDerWaalsContact C-N 3.29Å; A147-N149 PolarHBondContact O-N 2.96Å; A147-N149 VanDerWaalsContact O-N 3.14Å; N149-K151 VanDerWaalsContact C-N 3.33Å; N149-A152 PolarHBondContact O-N 3.35Å; N149-I153 WeakPolarHBondContact O-CG1 3.39Å; N149-I153 PolarHBondContact O-N 2.75Å; N149-L203 HydrophobicContact CB-CB 3.96Å; N149-L203 VanDerWaalsContact ND2-CB 3.31Å; N149-L203 WeakPolarHBondContact ND2-CB 3.43Å; N149-N204 PolarHBondContact ND2-OD1 2.85Å; N149-V207 HydrophobicContact CB-CG2 3.74Å
150	H	82.4	Confident	78.5	Confident	12 Å²	12	49.1 Å²	49.1	6%	0.056	26%	0.261	C	S	.	.	H	α-helix	trans	-67.8	-36	175.8	-60.3	78.7	0	0	0	110.8	M39 V40 L49 A147 F148 I153 L154	M39-H150 PolarHBondContact O-CD2 3.34Å; V40-H150 HydrophobicContact CG1-CB 4.36Å; L49-H150 HydrophobicContact CD1-CB 4.1Å; A147-H150 HydrophobicContact CB-CB 4.14Å; A147-H150 WeakPolarHBondContact O-CB 3.43Å; A147-H150 PolarHBondContact O-N 3.16Å; F148-H150 PolarHBondContact O-N 3.25Å; H150-I153 PolarHBondContact O-N 2.9Å; H150-L154 WeakPolarHBondContact O-CB 3.27Å; H150-L154 VanDerWaalsContact O-CG 3.31Å; H150-L154 WeakPolarHBondContact O-CG 3.04Å; H150-L154 PolarHBondContact O-N 3.32Å
151	K	81.8	Confident	77.4	Confident	107 Å²	107	52.2 Å²	52.2	47%	0.465	27%	0.274	S	S	.	.	H	α-helix	trans	-64.7	-41.7	172.6	-173.8	-178.1	167	-174.1	0	111.9	P52 A147 F148 N149 L154 E155	P52-K151 HydrophobicContact CG-CB 4.48Å; A147-K151 PolarHBondContact O-N 2.95Å; A147-K151 VanDerWaalsContact O-N 3.1Å; F148-K151 WeakPolarHBondContact O-CA 3.27Å; F148-K151 WeakPolarHBondContact O-CB 3.45Å; F148-K151 PolarHBondContact O-N 2.82Å; F148-K151 VanDerWaalsContact O-N 3.11Å; N149-K151 VanDerWaalsContact C-N 3.33Å; K151-L154 WeakPolarHBondContact O-CB 3.22Å; K151-L154 PolarHBondContact O-N 3.4Å; K151-E155 WeakPolarHBondContact CE-OE1 3.44Å; K151-E155 IonicContact NZ-OE1 3.61Å; K151-E155 WeakPolarHBondContact O-CG 3.44Å; K151-E155 PolarHBondContact O-N 3.21Å
152	A	78.2	Confident	75.8	Confident	19 Å²	19	54.8 Å²	54.8	16%	0.157	29%	0.287	C	S	.	.	H	α-helix	trans	-64.6	-40	177.1	0	0	0	0	0	112	F148 N149 E155 F156 V207	F148-A152 PolarHBondContact O-N 2.7Å; N149-A152 PolarHBondContact O-N 3.35Å; A152-E155 PolarHBondContact O-N 2.86Å; A152-F156 WeakPolarHBondContact O-CB 3.44Å; A152-F156 PolarHBondContact O-N 3.05Å; A152-V207 HydrophobicContact CB-CG1 3.93Å; A152-V207 HydrophobicContact CB-CG2 4.02Å
153	I	77.8	Confident	73.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.7	-42.1	173.8	-64.4	163.3	0	0	0	111	L36 V40 N149 H150 E155 F156 L157 L203 I206 V207 I210	L36-I153 HydrophobicContact CD2-CG2 3.91Å; V40-I153 HydrophobicContact CG1-CB 3.77Å; V40-I153 HydrophobicContact CG1-CG2 3.52Å; N149-I153 WeakPolarHBondContact O-CG1 3.39Å; N149-I153 PolarHBondContact O-N 2.75Å; H150-I153 PolarHBondContact O-N 2.9Å; I153-E155 VanDerWaalsContact C-N 3.34Å; I153-E155 PolarHBondContact O-N 3.09Å; I153-F156 PolarHBondContact O-N 3.17Å; I153-L157 HydrophobicContact CG2-CD1 4.23Å; I153-L157 HydrophobicContact CG2-CG 4.46Å; I153-L157 WeakPolarHBondContact O-CG 3.48Å; I153-L157 PolarHBondContact O-N 2.65Å; I153-L203 HydrophobicContact CD1-CD2 4.24Å; I153-I206 HydrophobicContact CD1-CG2 4.04Å; I153-I206 HydrophobicContact CG1-CG2 4.19Å; I153-V207 HydrophobicContact CG1-CG2 4.49Å; I153-I210 HydrophobicContact CG1-CD1 4.14Å
154	L	80.8	Confident	72.3	Confident	8 Å²	8	56.1 Å²	56.1	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-59.4	-41.8	173.1	-77.4	164.6	0	0	0	112.7	V40 F48 L49 P52 H150 K151 L157 K158	V40-L154 HydrophobicContact CB-CD2 3.9Å; V40-L154 HydrophobicContact CB-CG 3.9Å; V40-L154 HydrophobicContact CG1-CG 4.27Å; V40-L154 HydrophobicContact CG2-CD2 3.49Å; V40-L154 VanDerWaalsContact CG2-CD2 3.49Å; V40-L154 HydrophobicContact CG2-CG 3.93Å; F48-L154 HydrophobicContact CB-CD2 4.06Å; L49-L154 HydrophobicContact CB-CD1 4.01Å; L49-L154 VanDerWaalsContact O-CD1 3.25Å; L49-L154 WeakPolarHBondContact O-CD1 3.28Å; P52-L154 HydrophobicContact CG-CD1 4.38Å; H150-L154 WeakPolarHBondContact O-CB 3.27Å; H150-L154 VanDerWaalsContact O-CG 3.31Å; H150-L154 WeakPolarHBondContact O-CG 3.04Å; H150-L154 PolarHBondContact O-N 3.32Å; K151-L154 WeakPolarHBondContact O-CB 3.22Å; K151-L154 PolarHBondContact O-N 3.4Å; L154-L157 PolarHBondContact O-N 3.49Å; L154-K158 WeakPolarHBondContact O-CB 3.47Å; L154-K158 VanDerWaalsContact O-CG 3.26Å; L154-K158 WeakPolarHBondContact O-CG 3.4Å; L154-K158 PolarHBondContact O-N 2.84Å
155	E	80.3	Confident	70.4	Confident	85 Å²	85	55.7 Å²	55.7	40%	0.397	29%	0.29	S	S	.	.	H	α-helix	trans	-70.1	-36.4	177.6	-74.1	175.7	179.4	0	0	111.6	K151 A152 I153 N159	K151-E155 WeakPolarHBondContact CE-OE1 3.44Å; K151-E155 IonicContact NZ-OE1 3.61Å; K151-E155 WeakPolarHBondContact O-CG 3.44Å; K151-E155 PolarHBondContact O-N 3.21Å; A152-E155 PolarHBondContact O-N 2.86Å; I153-E155 VanDerWaalsContact C-N 3.34Å; I153-E155 PolarHBondContact O-N 3.09Å; E155-N159 VanDerWaalsContact O-CB 3.28Å; E155-N159 WeakPolarHBondContact O-CB 3.46Å; E155-N159 PolarHBondContact O-N 2.84Å; E155-N159 PolarHBondContact O-ND2 2.99Å; E155-N159 PolarHBondContact O-OD1 2.86Å
156	F	77.2	Confident	68.7	Low	27 Å²	27	54 Å²	54	12%	0.118	28%	0.278	C	S	.	.	H	α-helix	trans	-62.4	-44.4	170.6	175.2	-98	0	0	0	112.8	L36 A152 I153 N159 N160 I210	L36-F156 HydrophobicContact CD1-CE1 4.47Å; A152-F156 WeakPolarHBondContact O-CB 3.44Å; A152-F156 PolarHBondContact O-N 3.05Å; I153-F156 PolarHBondContact O-N 3.17Å; F156-N159 PolarHBondContact O-N 3.02Å; F156-N160 VanDerWaalsContact CD2-ND2 3.31Å; F156-N160 WeakPolarHBondContact CD2-ND2 3.32Å; F156-N160 WeakPolarHBondContact CE2-ND2 3.31Å; F156-N160 WeakPolarHBondContact O-CB 3.46Å; F156-N160 PolarHBondContact O-N 3.09Å; F156-N160 VanDerWaalsContact O-N 3.12Å; F156-N160 PolarHBondContact O-ND2 2.8Å; F156-I210 HydrophobicContact CB-CD1 4.1Å; F156-I210 HydrophobicContact CB-CG2 3.93Å; F156-I210 HydrophobicContact CD1-CD1 4.04Å; F156-I210 HydrophobicContact CD1-CG1 4.35Å; F156-I210 HydrophobicContact CD2-CB 4.34Å; F156-I210 HydrophobicContact CD2-CD1 4.35Å; F156-I210 HydrophobicContact CD2-CG1 3.96Å; F156-I210 HydrophobicContact CD2-CG2 3.64Å; F156-I210 HydrophobicContact CE2-CG1 4.18Å; F156-I210 HydrophobicContact CE2-CG2 4.43Å; F156-I210 HydrophobicContact CG-CD1 3.91Å; F156-I210 HydrophobicContact CG-CG1 4.04Å; F156-I210 HydrophobicContact CG-CG2 3.99Å; F156-I210 HydrophobicContact CZ-CG1 4.48Å
157	L	74.5	Confident	66.9	Low	3 Å²	3	53.4 Å²	53.4	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-66.2	-41.5	177.5	-71.1	175.8	0	0	0	112.2	L33 L36 V40 I153 L154 F165	L33-L157 HydrophobicContact CB-CD2 4.14Å; L33-L157 HydrophobicContact CD1-CD2 3.78Å; L33-L157 HydrophobicContact CG-CD2 4.44Å; L36-L157 HydrophobicContact CB-CD1 4.25Å; L36-L157 HydrophobicContact CB-CD2 3.95Å; L36-L157 HydrophobicContact CB-CG 4.48Å; V40-L157 HydrophobicContact CG2-CD1 3.79Å; I153-L157 HydrophobicContact CG2-CD1 4.23Å; I153-L157 HydrophobicContact CG2-CG 4.46Å; I153-L157 WeakPolarHBondContact O-CG 3.48Å; I153-L157 PolarHBondContact O-N 2.65Å; L154-L157 PolarHBondContact O-N 3.49Å; L157-F165 HydrophobicContact CB-CD2 4.22Å; L157-F165 HydrophobicContact CB-CE2 3.65Å; L157-F165 HydrophobicContact CB-CZ 3.83Å; L157-F165 HydrophobicContact CD1-CE2 4.03Å; L157-F165 HydrophobicContact CG-CE2 4.43Å
158	K	74.7	Confident	65.3	Low	81 Å²	81	57.6 Å²	57.6	35%	0.352	29%	0.289	S	S	.	.	H	α-helix	trans	-55.7	-57.5	170.7	-77.2	169.9	179.8	-179.7	0	110.7	L154 N160 H161 F165	L154-K158 WeakPolarHBondContact O-CB 3.47Å; L154-K158 VanDerWaalsContact O-CG 3.26Å; L154-K158 WeakPolarHBondContact O-CG 3.4Å; L154-K158 PolarHBondContact O-N 2.84Å; K158-N160 PolarHBondContact O-N 2.59Å; K158-H161 PolarHBondContact O-CD2 3.1Å; K158-H161 PolarHBondContact O-N 3Å; K158-F165 HydrophobicContact CB-CE1 4.38Å; K158-F165 HydrophobicContact CG-CE1 3.6Å; K158-F165 HydrophobicContact CG-CZ 4.25Å
159	N	69	Low	63.7	Low	115 Å²	115	53.3 Å²	53.3	62%	0.615	27%	0.271	S	S	*	.	H	α-helix	trans	-66.4	-22.9	-171.2	-66.8	-10	0	0	0	113.6	E155 F156	E155-N159 VanDerWaalsContact O-CB 3.28Å; E155-N159 WeakPolarHBondContact O-CB 3.46Å; E155-N159 PolarHBondContact O-N 2.84Å; E155-N159 PolarHBondContact O-ND2 2.99Å; E155-N159 PolarHBondContact O-OD1 2.86Å; F156-N159 PolarHBondContact O-N 3.02Å
160	N	62.8	Low	62.3	Low	37 Å²	37	56.6 Å²	56.6	20%	0.198	29%	0.289	C	S	.	.	H	α-helix	trans	-89.3	-4.6	178.7	-78.7	-78.9	0	0	0	115.2	F156 K158 R224	F156-N160 VanDerWaalsContact CD2-ND2 3.31Å; F156-N160 WeakPolarHBondContact CD2-ND2 3.32Å; F156-N160 WeakPolarHBondContact CE2-ND2 3.31Å; F156-N160 WeakPolarHBondContact O-CB 3.46Å; F156-N160 PolarHBondContact O-N 3.09Å; F156-N160 VanDerWaalsContact O-N 3.12Å; F156-N160 PolarHBondContact O-ND2 2.8Å; K158-N160 PolarHBondContact O-N 2.59Å; N160-R224 PolarHBondContact OD1-NH2 3.29Å
161	H	57.8	Low	60.6	Low	116 Å²	116	61.6 Å²	61.6	54%	0.537	32%	0.316	S	S	.	.			trans	43.3	75.7	164.2	-87.8	-92	0	0	0	116.1	K158	K158-H161 PolarHBondContact O-CD2 3.1Å; K158-H161 PolarHBondContact O-N 3Å
162	I	47.2	Very low	58.8	Low	53 Å²	53	60.3 Å²	60.3	27%	0.272	31%	0.314	S	S	.	.			trans	-80.5	131	148	-45.8	-174.8	0	0	0	107	L33 S164 F165	L33-I162 HydrophobicContact CD1-CD1 3.58Å; L33-I162 HydrophobicContact CD1-CG1 4.06Å; L33-I162 HydrophobicContact CG-CD1 4.02Å; I162-S164 WeakPolarHBondContact CG2-OG 3.4Å; I162-S164 PolarHBondContact O-N 3.32Å; I162-F165 WeakPolarHBondContact O-CB 3.39Å; I162-F165 PolarHBondContact O-N 2.76Å
163	N	41.1	Very low	57	Low	131 Å²	131	65.4 Å²	65.4	70%	0.701	34%	0.339	S	S	*	.	H	α-helix	trans	-60.2	-18.6	-179.3	-71.5	-21.1	0	0	0	113.6	S167	N163-S167 WeakPolarHBondContact O-CB 3.38Å; N163-S167 PolarHBondContact O-N 3.28Å; N163-S167 PolarHBondContact O-OG 2.98Å
164	S	47.3	Very low	54.9	Low	36 Å²	36	71.7 Å²	71.7	25%	0.252	37%	0.372	S	S	.	.	H	α-helix	trans	-67.9	-35.8	169.8	56.2	0	0	0	0	113.3	I162 S167 R168	I162-S164 WeakPolarHBondContact CG2-OG 3.4Å; I162-S164 PolarHBondContact O-N 3.32Å; S164-S167 PolarHBondContact O-N 3.39Å; S164-R168 VanDerWaalsContact O-CB 3.32Å; S164-R168 WeakPolarHBondContact O-CB 3.49Å; S164-R168 WeakPolarHBondContact O-CG 3.45Å; S164-R168 PolarHBondContact O-N 3.14Å
165	F	43.5	Very low	52.7	Low	7 Å²	7	79.2 Å²	79.2	3%	0.031	41%	0.413	C	S	.	.	H	α-helix	trans	-66.8	-52.1	-173.3	-176.2	-87.4	0	0	0	111.6	F48 L157 K158 I162 S167 R168 M169	F48-F165 HydrophobicContact CD1-CE2 4.3Å; F48-F165 HydrophobicContact CD2-CD2 4.48Å; F48-F165 AromaticContact CD2-CE2 3.9Å; F48-F165 HydrophobicContact CD2-CE2 3.9Å; F48-F165 HydrophobicContact CD2-CZ 4.11Å; F48-F165 AromaticContact CE1-CE2 3.91Å; F48-F165 HydrophobicContact CE1-CE2 3.91Å; F48-F165 AromaticContact CE2-CD2 3.67Å; F48-F165 HydrophobicContact CE2-CD2 3.67Å; F48-F165 AromaticContact CE2-CE2 3.45Å; F48-F165 HydrophobicContact CE2-CE2 3.45Å; F48-F165 VanDerWaalsContact CE2-CE2 3.45Å; F48-F165 HydrophobicContact CE2-CG 4.46Å; F48-F165 HydrophobicContact CE2-CZ 4.09Å; F48-F165 HydrophobicContact CG-CE2 4.3Å; F48-F165 HydrophobicContact CG-CZ 4.48Å; F48-F165 AromaticContact CZ-CD2 3.69Å; F48-F165 HydrophobicContact CZ-CD2 3.69Å; F48-F165 AromaticContact CZ-CE2 3.46Å; F48-F165 HydrophobicContact CZ-CE2 3.46Å; F48-F165 VanDerWaalsContact CZ-CE2 3.46Å; F48-F165 HydrophobicContact CZ-CZ 4.44Å; L157-F165 HydrophobicContact CB-CD2 4.22Å; L157-F165 HydrophobicContact CB-CE2 3.65Å; L157-F165 HydrophobicContact CB-CZ 3.83Å; L157-F165 HydrophobicContact CD1-CE2 4.03Å; L157-F165 HydrophobicContact CG-CE2 4.43Å; K158-F165 HydrophobicContact CB-CE1 4.38Å; K158-F165 HydrophobicContact CG-CE1 3.6Å; K158-F165 HydrophobicContact CG-CZ 4.25Å; I162-F165 WeakPolarHBondContact O-CB 3.39Å; I162-F165 PolarHBondContact O-N 2.76Å; F165-S167 VanDerWaalsContact C-N 3.34Å; F165-S167 PolarHBondContact O-N 3.5Å; F165-R168 PolarHBondContact O-N 3.42Å; F165-M169 HydrophobicContact CE1-SD 4.32Å; F165-M169 WeakPolarHBondContact O-CB 3.27Å; F165-M169 PolarHBondContact O-N 3.34Å
166	V	45.9	Very low	50.2	Low	49 Å²	49	77.6 Å²	77.6	30%	0.297	42%	0.419	S	S	.	.	H	α-helix	trans	-65.1	-39.2	177.5	-179.6	0	0	0	0	111.1	M169 N170	V166-M169 PolarHBondContact O-N 3.06Å; V166-N170 WeakPolarHBondContact O-CB 3.48Å; V166-N170 PolarHBondContact O-N 3.1Å
167	S	45.3	Very low	47.8	Very low	68 Å²	68	82.7 Å²	82.7	48%	0.476	45%	0.452	S	S	.	.	H	α-helix	trans	-63.7	-43	177.3	-56.4	0	0	0	0	112.3	N163 S164 F165 N171	N163-S167 WeakPolarHBondContact O-CB 3.38Å; N163-S167 PolarHBondContact O-N 3.28Å; N163-S167 PolarHBondContact O-OG 2.98Å; S164-S167 PolarHBondContact O-N 3.39Å; F165-S167 VanDerWaalsContact C-N 3.34Å; F165-S167 PolarHBondContact O-N 3.5Å; S167-N171 PolarHBondContact O-N 3.19Å; S167-N171 VanDerWaalsContact O-N 3.09Å; S167-N171 PolarHBondContact O-OD1 2.9Å
168	R	49.4	Very low	45.7	Very low	93 Å²	93	88.4 Å²	88.4	35%	0.351	49%	0.487	S	S	.	.	H	α-helix	trans	-64	-44.1	173.8	-75	169.7	176.8	174.4	-3	111.6	E37 S164 F165 N170	E37-R168 IonicContact OE1-NH1 3.17Å; E37-R168 PolarHBondContact OE1-NH1 3.25Å; E37-R168 VanDerWaalsContact OE1-NH1 3.09Å; E37-R168 IonicContact OE2-NH1 3.09Å; E37-R168 PolarHBondContact OE2-NH1 2.84Å; S164-R168 VanDerWaalsContact O-CB 3.32Å; S164-R168 WeakPolarHBondContact O-CB 3.49Å; S164-R168 WeakPolarHBondContact O-CG 3.45Å; S164-R168 PolarHBondContact O-N 3.14Å; F165-R168 PolarHBondContact O-N 3.42Å; R168-N170 VanDerWaalsContact C-N 3.33Å; R168-N170 PolarHBondContact O-N 2.86Å
169	M	45.8	Very low	43.3	Very low	49 Å²	49	93.3 Å²	93.3	24%	0.241	51%	0.512	C	S	.	.	H	α-helix	trans	-66.5	-34	-179.5	-161	172.3	-162.7	0	0	112.7	F165 V166	F165-M169 HydrophobicContact CE1-SD 4.32Å; F165-M169 WeakPolarHBondContact O-CB 3.27Å; F165-M169 PolarHBondContact O-N 3.34Å; V166-M169 PolarHBondContact O-N 3.06Å
170	N	46.2	Very low	41.6	Very low	92 Å²	92	97 Å²	97	49%	0.492	53%	0.525	S	S	.	.	H	α-helix	trans	-76.2	-40.3	177.5	-74.4	-7.5	0	0	0	113.2	V166 R168 N172 N173	V166-N170 WeakPolarHBondContact O-CB 3.48Å; V166-N170 PolarHBondContact O-N 3.1Å; R168-N170 VanDerWaalsContact C-N 3.33Å; R168-N170 PolarHBondContact O-N 2.86Å; N170-N172 PolarHBondContact O-N 3.14Å; N170-N172 VanDerWaalsContact O-N 3.16Å; N170-N173 PolarHBondContact O-N 3.35Å; N170-N173 VanDerWaalsContact O-N 3.1Å
171	N	46.1	Very low	40	Very low	118 Å²	118	100.9 Å²	100.9	63%	0.631	56%	0.555	S	S	*	*	H	α-helix	trans	-55.5	-35.5	179.7	-82.3	3.5	0	0	0	112.8	S167 N173 N174	S167-N171 PolarHBondContact O-N 3.19Å; S167-N171 VanDerWaalsContact O-N 3.09Å; S167-N171 PolarHBondContact O-OD1 2.9Å; N171-N173 VanDerWaalsContact C-N 3.32Å; N171-N173 PolarHBondContact O-N 3.05Å; N171-N174 PolarHBondContact O-N 3.05Å
172	N	43.8	Very low	38.5	Very low	79 Å²	79	103 Å²	103	42%	0.422	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75	-16.1	-177.3	-67.5	-15.3	0	0	0	114.4	N47 N170	N47-N172 PolarHBondContact OD1-ND2 3.04Å; N170-N172 PolarHBondContact O-N 3.14Å; N170-N172 VanDerWaalsContact O-N 3.16Å
173	N	39.4	Very low	37.6	Very low	127 Å²	127	105.5 Å²	105.5	68%	0.679	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-12.2	177.8	-75.2	-35.4	0	0	0	113.3	N170 N171 N175	N170-N173 PolarHBondContact O-N 3.35Å; N170-N173 VanDerWaalsContact O-N 3.1Å; N171-N173 VanDerWaalsContact C-N 3.32Å; N171-N173 PolarHBondContact O-N 3.05Å; N173-N175 PolarHBondContact O-N 3.36Å
174	N	34.9	Very low	37	Very low	131 Å²	131	105.9 Å²	105.9	70%	0.701	60%	0.6	S	S	*	*			trans	-96.1	23.6	-172.9	-78.7	5.7	0	0	0	114.6	N171 G176	N171-N174 PolarHBondContact O-N 3.05Å; N174-G176 PolarHBondContact O-N 2.98Å
175	N	35.2	Very low	36.2	Very low	166 Å²	166	108 Å²	108	89%	0.888	63%	0.627	S	S	*	*			trans	-77	58	169.4	-85.1	-11.3	0	0	0	111.9	N173	N173-N175 PolarHBondContact O-N 3.36Å
176	G	27.5	Very low	35.5	Very low	52 Å²	52	117.5 Å²	117.5	54%	0.536	67%	0.668	S	S	.	*			trans	-116.7	131.4	166.3	0	0	0	0	0	109.9	N174	N174-G176 PolarHBondContact O-N 2.98Å
177	T	26	Very low	34.5	Very low	133 Å²	133	119.9 Å²	119.9	82%	0.816	69%	0.687	S	S	*	*	S	Bend	trans	57.7	110.6	170.6	51.2	0	0	0	0	119.3
178	V	29.7	Very low	33.8	Very low	123 Å²	123	122.6 Å²	122.6	75%	0.745	70%	0.703	S	S	*	*				63.7	130.8	130	-174.9	0	0	0	0	116.6
179	E	25.7	Very low	32.9	Very low	185 Å²	185	125.5 Å²	125.5	86%	0.864	72%	0.724	S	S	*	*			cis	-157.5	-175.2	47.3	-149.9	141.5	-117.8	0	0	113.4
180	Q	32.4	Very low	32.1	Very low	192 Å²	192	128.6 Å²	128.6	90%	0.897	75%	0.748	S	S	*	*			trans	-96.7	136.4	178.8	-70.2	178.9	-35.6	0	0	113.5
181	S	28.9	Very low	31.3	Very low	118 Å²	118	130.6 Å²	130.6	83%	0.825	76%	0.764	S	S	*	*			trans	-162.7	127.5	153.8	64.7	0	0	0	0	111.9
182	D	27.6	Very low	30.7	Very low	162 Å²	162	129.4 Å²	129.4	87%	0.866	75%	0.75	S	S	*	*			trans	-76	140.6	172	-75.8	-59.2	0	0	0	112.5
183	S	28.6	Very low	30.3	Very low	105 Å²	105	131.8 Å²	131.8	73%	0.734	76%	0.757	S	S	*	*				175.1	135.3	124.8	40	0	0	0	0	114.2
184	T	28.7	Very low	30.4	Very low	139 Å²	139	127 Å²	127	85%	0.853	73%	0.732	S	S	*	*			trans	36	121.8	149.1	58.1	0	0	0	0	121.3
185	G	29.2	Very low	31	Very low	79 Å²	79	121.2 Å²	121.2	81%	0.814	70%	0.702	S	S	*	*			trans	98	74.7	138.6	0	0	0	0	0	117.5
186	K	28.7	Very low	31.7	Very low	207 Å²	207	119.1 Å²	119.1	90%	0.9	69%	0.69	S	S	*	*			trans	-128.8	133.5	159.4	-80	176.9	180	164.4	0	111.2
187	S	26.1	Very low	32.8	Very low	99 Å²	99	120.7 Å²	120.7	69%	0.692	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-59.9	155.9	169.1	50.4	0	0	0	0	111.3	I189	S187-I189 PolarHBondContact O-N 3.14Å
188	P	29.1	Very low	34.1	Very low	126 Å²	126	116 Å²	116	82%	0.818	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-55.3	135.1	174.9	24	-34.4	0	0	0	111
189	I	30.3	Very low	35.3	Very low	154 Å²	154	112.8 Å²	112.8	79%	0.79	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-68.5	132.2	174.1	-60.9	173.5	0	0	0	107.4	S187 T191	S187-I189 PolarHBondContact O-N 3.14Å; I189-T191 PolarHBondContact O-N 2.97Å
190	P	29.2	Very low	37	Very low	113 Å²	113	108.1 Å²	108.1	73%	0.734	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-62.3	127.2	178.9	25.4	-34	0	0	0	110.6	R192	P190-R192 PolarHBondContact O-N 2.73Å
191	T	29.8	Very low	37.9	Very low	135 Å²	135	106.8 Å²	106.8	83%	0.828	61%	0.612	S	S	*	*			trans	-71.3	93	-178.6	34.6	0	0	0	0	111.1	I189 K193	I189-T191 PolarHBondContact O-N 2.97Å; T191-K193 PolarHBondContact O-N 2.85Å
192	R	34.9	Very low	39.2	Very low	92 Å²	92	105.8 Å²	105.8	35%	0.347	60%	0.596	S	S	.	*			trans	-59.6	117.9	171.7	-88.5	-169.3	160.4	-165.2	-10	110.6	E37 D38 P190 T194	E37-R192 IonicContact OE2-CZ 2.65Å; E37-R192 IonicContact OE2-NH1 2.75Å; E37-R192 PolarHBondContact OE2-NH1 3.43Å; E37-R192 VanDerWaalsContact OE2-NH1 3.09Å; E37-R192 IonicContact OE2-NH2 3.22Å; E37-R192 PolarHBondContact OE2-NH2 3.06Å; D38-R192 IonicContact OD1-CZ 3.09Å; D38-R192 IonicContact OD1-NE 3.4Å; P190-R192 PolarHBondContact O-N 2.73Å; R192-T194 HydrophobicContact CB-CG2 4.11Å
193	K	34.6	Very low	41.1	Very low	130 Å²	130	98.7 Å²	98.7	57%	0.565	56%	0.558	S	S	*	*			trans	-68.6	127.1	165.8	-61.1	172.9	178.6	173.7	0	107.5	T191	T191-K193 PolarHBondContact O-N 2.85Å
194	T	41.7	Very low	42.9	Very low	27 Å²	27	97.3 Å²	97.3	17%	0.166	54%	0.542	C	S	.	.			trans	-134.2	147.2	-167.6	44.6	0	0	0	0	113.3	T41 P43 L46 R192	T41-T194 HydrophobicContact CG2-CG2 3.44Å; T41-T194 VanDerWaalsContact CG2-CG2 3.44Å; P43-T194 WeakPolarHBondContact CA-OG1 3.38Å; P43-T194 WeakPolarHBondContact CB-OG1 3.35Å; P43-T194 WeakPolarHBondContact CG-O 3.35Å; P43-T194 WeakPolarHBondContact CG-OG1 3.47Å; L46-T194 HydrophobicContact CD2-CG2 4.11Å; R192-T194 HydrophobicContact CB-CG2 4.11Å
195	S	46.8	Very low	44.7	Very low	9 Å²	9	98.2 Å²	98.2	6%	0.063	53%	0.531	C	S	.	.			trans	42.5	80.4	-172	87.1	0	0	0	0	115.6	D38 P43 I128	D38-S195 PolarHBondContact O-N 3.46Å; P43-S195 WeakPolarHBondContact CG-OG 3.24Å; I128-S195 WeakPolarHBondContact CD1-OG 3.34Å
196	L	51.3	Low	46.4	Very low	121 Å²	121	95.8 Å²	95.8	63%	0.634	50%	0.499	S	S	*	.			trans	-56.4	138.4	163.3	-75.3	136.5	0	0	0	110.8	V198	L196-V198 HydrophobicContact CB-CG2 4.09Å; L196-V198 PolarHBondContact O-N 3.44Å
197	Q	49.2	Very low	48.5	Very low	85 Å²	85	86.6 Å²	86.6	40%	0.397	46%	0.46	S	S	.	.			trans	-72.5	78.2	172.3	-167	-165.8	-51.4	0	0	110.8	H59 N609	H59-Q197 PolarHBondContact CE1-OE1 3.47Å; H59-Q197 VanDerWaalsContact CE1-OE1 3.31Å; Q197-N609 WeakPolarHBondContact CB-ND2 3.45Å; Q197-N609 PolarHBondContact OE1-ND2 2.85Å
198	V	53.6	Low	50.4	Low	34 Å²	34	86.2 Å²	86.2	21%	0.206	45%	0.45	C	S	.	.			trans	-78.2	129.5	176.5	-175.2	0	0	0	0	109.7	M39 L196 M202 L203	M39-V198 HydrophobicContact CG-CG2 4.35Å; M39-V198 HydrophobicContact SD-CG2 3.85Å; L196-V198 HydrophobicContact CB-CG2 4.09Å; L196-V198 PolarHBondContact O-N 3.44Å; V198-M202 HydrophobicContact CG1-CB 3.66Å; V198-M202 HydrophobicContact CG1-CG 3.59Å; V198-L203 HydrophobicContact CB-CD1 4.42Å; V198-L203 HydrophobicContact CB-CD2 3.97Å; V198-L203 HydrophobicContact CB-CG 3.86Å; V198-L203 HydrophobicContact CG1-CD2 3.98Å; V198-L203 HydrophobicContact CG1-CG 3.76Å
199	S	55.2	Low	52.3	Low	57 Å²	57	83 Å²	83	40%	0.399	43%	0.426	S	S	.	.			trans	-60.9	148.2	-178.7	72	0	0	0	0	111.8	R201 M202 L203	S199-R201 PolarHBondContact O-N 3.02Å; S199-M202 PolarHBondContact O-N 3.1Å; S199-M202 PolarHBondContact OG-N 3.42Å; S199-L203 PolarHBondContact O-N 3.49Å
200	S	60.6	Low	54	Low	86 Å²	86	76.3 Å²	76.3	60%	0.601	39%	0.392	S	S	*	.	H	α-helix	trans	-55.4	-37.4	-179	55.1	0	0	0	0	112.7	N204	S200-N204 WeakPolarHBondContact O-CB 3.35Å; S200-N204 PolarHBondContact O-N 2.98Å; S200-N204 PolarHBondContact O-OD1 3.42Å; S200-N204 VanDerWaalsContact O-OD1 3.1Å
201	R	51.6	Low	56	Low	165 Å²	165	72.5 Å²	72.5	62%	0.623	37%	0.37	S	S	*	.	H	α-helix	trans	-59.8	-46.5	172.2	-69.3	-179.3	178.8	157	0.9	112.3	S199 N204 Y205	S199-R201 PolarHBondContact O-N 3.02Å; R201-N204 PolarHBondContact O-N 2.99Å; R201-Y205 WeakPolarHBondContact O-CD2 3.28Å; R201-Y205 PolarHBondContact O-N 3.45Å
202	M	57.4	Low	57.6	Low	97 Å²	97	67.9 Å²	67.9	48%	0.478	34%	0.343	S	S	.	.	H	α-helix	trans	-70.8	-39.5	-179	-176.3	66.8	-175.4	0	0	111.9	V198 S199 N204 Y205 I206	V198-M202 HydrophobicContact CG1-CB 3.66Å; V198-M202 HydrophobicContact CG1-CG 3.59Å; S199-M202 PolarHBondContact O-N 3.1Å; S199-M202 PolarHBondContact OG-N 3.42Å; M202-N204 VanDerWaalsContact C-N 3.34Å; M202-N204 PolarHBondContact O-N 2.86Å; M202-Y205 PolarHBondContact O-N 2.89Å; M202-I206 HydrophobicContact CE-CD1 4.23Å; M202-I206 HydrophobicContact CE-CG1 4.37Å; M202-I206 HydrophobicContact CG-CD1 4.32Å; M202-I206 WeakPolarHBondContact O-CG1 3.39Å; M202-I206 PolarHBondContact O-N 3.18Å
203	L	65.6	Low	58.7	Low	13 Å²	13	66.6 Å²	66.6	7%	0.068	34%	0.338	C	S	.	.	H	α-helix	trans	-61.7	-41.2	171.3	-74.3	173.2	0	0	0	111.8	N149 I153 V198 S199 I206 V207	N149-L203 HydrophobicContact CB-CB 3.96Å; N149-L203 VanDerWaalsContact ND2-CB 3.31Å; N149-L203 WeakPolarHBondContact ND2-CB 3.43Å; I153-L203 HydrophobicContact CD1-CD2 4.24Å; V198-L203 HydrophobicContact CB-CD1 4.42Å; V198-L203 HydrophobicContact CB-CD2 3.97Å; V198-L203 HydrophobicContact CB-CG 3.86Å; V198-L203 HydrophobicContact CG1-CD2 3.98Å; V198-L203 HydrophobicContact CG1-CG 3.76Å; S199-L203 PolarHBondContact O-N 3.49Å; L203-I206 PolarHBondContact O-N 2.91Å; L203-V207 VanDerWaalsContact O-CG2 3.31Å; L203-V207 WeakPolarHBondContact O-CG2 3.44Å; L203-V207 PolarHBondContact O-N 3.3Å
204	N	66.4	Low	60.1	Low	75 Å²	75	65.5 Å²	65.5	40%	0.401	34%	0.335	S	S	.	.	H	α-helix	trans	-61.3	-47.9	174.3	-71.4	6.8	0	0	0	110.9	N149 S200 R201 M202 I206 V207 D208	N149-N204 PolarHBondContact ND2-OD1 2.85Å; S200-N204 WeakPolarHBondContact O-CB 3.35Å; S200-N204 PolarHBondContact O-N 2.98Å; S200-N204 PolarHBondContact O-OD1 3.42Å; S200-N204 VanDerWaalsContact O-OD1 3.1Å; R201-N204 PolarHBondContact O-N 2.99Å; M202-N204 VanDerWaalsContact C-N 3.34Å; M202-N204 PolarHBondContact O-N 2.86Å; N204-I206 VanDerWaalsContact C-N 3.3Å; N204-I206 PolarHBondContact O-N 3.49Å; N204-V207 CarbonylContact O-C 3.59Å; N204-V207 PolarHBondContact O-N 3.49Å; N204-D208 WeakPolarHBondContact O-CB 3.5Å; N204-D208 PolarHBondContact O-N 3.01Å
205	Y	66.9	Low	61.2	Low	158 Å²	158	73 Å²	73	62%	0.62	36%	0.36	S	S	*	.	H	α-helix	trans	-56.1	-40.7	176.2	-80.6	-60.9	0	0	0	113.3	R201 M202 D209	R201-Y205 WeakPolarHBondContact O-CD2 3.28Å; R201-Y205 PolarHBondContact O-N 3.45Å; M202-Y205 PolarHBondContact O-N 2.89Å; Y205-D209 WeakPolarHBondContact O-CB 3.38Å; Y205-D209 PolarHBondContact O-N 2.91Å
206	I	65.3	Low	61.5	Low	28 Å²	28	79.4 Å²	79.4	14%	0.144	39%	0.389	C	S	.	.	H	α-helix	trans	-64.5	-42	176.4	-67.6	162.6	0	0	0	110.8	M39 I153 M202 L203 N204 I210	M39-I206 HydrophobicContact CE-CD1 4.36Å; M39-I206 HydrophobicContact SD-CD1 4.35Å; I153-I206 HydrophobicContact CD1-CG2 4.04Å; I153-I206 HydrophobicContact CG1-CG2 4.19Å; M202-I206 HydrophobicContact CE-CD1 4.23Å; M202-I206 HydrophobicContact CE-CG1 4.37Å; M202-I206 HydrophobicContact CG-CD1 4.32Å; M202-I206 WeakPolarHBondContact O-CG1 3.39Å; M202-I206 PolarHBondContact O-N 3.18Å; L203-I206 PolarHBondContact O-N 2.91Å; N204-I206 VanDerWaalsContact C-N 3.3Å; N204-I206 PolarHBondContact O-N 3.49Å; I206-I210 HydrophobicContact CG2-CD1 3.92Å; I206-I210 WeakPolarHBondContact O-CB 3.16Å; I206-I210 WeakPolarHBondContact O-CD1 3.32Å; I206-I210 VanDerWaalsContact O-CG1 3.24Å; I206-I210 WeakPolarHBondContact O-CG1 3.44Å; I206-I210 PolarHBondContact O-N 3.04Å
207	V	72	Confident	61.3	Low	14 Å²	14	76.2 Å²	76.2	9%	0.085	39%	0.385	C	S	.	.	H	α-helix	trans	-72.1	-38.1	179.4	173.8	0	0	0	0	112.1	N149 A152 I153 L203 N204 I210 A211	N149-V207 HydrophobicContact CB-CG2 3.74Å; A152-V207 HydrophobicContact CB-CG1 3.93Å; A152-V207 HydrophobicContact CB-CG2 4.02Å; I153-V207 HydrophobicContact CG1-CG2 4.49Å; L203-V207 VanDerWaalsContact O-CG2 3.31Å; L203-V207 WeakPolarHBondContact O-CG2 3.44Å; L203-V207 PolarHBondContact O-N 3.3Å; N204-V207 CarbonylContact O-C 3.59Å; N204-V207 PolarHBondContact O-N 3.49Å; V207-I210 PolarHBondContact O-N 2.65Å; V207-A211 WeakPolarHBondContact O-CB 3.28Å; V207-A211 PolarHBondContact O-N 2.83Å
208	D	67.7	Low	60.9	Low	91 Å²	91	83 Å²	83	49%	0.487	41%	0.407	S	S	.	.	H	α-helix	trans	-67.5	-37.3	176.3	-72.5	-36.1	0	0	0	111.3	N204 S212	N204-D208 WeakPolarHBondContact O-CB 3.5Å; N204-D208 PolarHBondContact O-N 3.01Å; D208-S212 VanDerWaalsContact O-CB 3.27Å; D208-S212 WeakPolarHBondContact O-CB 3.28Å; D208-S212 PolarHBondContact O-N 3.37Å; D208-S212 PolarHBondContact O-OG 3.27Å
209	D	67.7	Low	60.7	Low	58 Å²	58	83.8 Å²	83.8	31%	0.31	41%	0.41	S	S	.	.	H	α-helix	trans	-65.7	-50.7	172.6	-172.6	32.8	0	0	0	111	Y205 A211 S212 R213	Y205-D209 WeakPolarHBondContact O-CB 3.38Å; Y205-D209 PolarHBondContact O-N 2.91Å; D209-A211 VanDerWaalsContact C-N 3.32Å; D209-A211 PolarHBondContact O-N 3.18Å; D209-S212 PolarHBondContact O-N 2.97Å; D209-S212 VanDerWaalsContact O-N 3.1Å; D209-R213 VanDerWaalsContact CG-NE 3.3Å; D209-R213 WeakPolarHBondContact O-CG 3.23Å; D209-R213 PolarHBondContact O-N 3.49Å; D209-R213 IonicContact OD1-CZ 3.86Å; D209-R213 VanDerWaalsContact OD1-CZ 3.29Å; D209-R213 IonicContact OD1-NE 3.49Å; D209-R213 PolarHBondContact OD1-NE 3.18Å; D209-R213 IonicContact OD1-NH2 3.41Å; D209-R213 PolarHBondContact OD1-NH2 2.93Å; D209-R213 VanDerWaalsContact OD1-NH2 3.14Å; D209-R213 IonicContact OD2-CZ 2.66Å; D209-R213 IonicContact OD2-NE 3.48Å; D209-R213 PolarHBondContact OD2-NE 3.14Å; D209-R213 IonicContact OD2-NH2 2.99Å; D209-R213 PolarHBondContact OD2-NH2 3.31Å
210	I	66.1	Low	60.6	Low	15 Å²	15	85.8 Å²	85.8	8%	0.077	42%	0.416	C	S	.	.	H	α-helix	trans	-52.4	-48.7	173	-77	168.4	0	0	0	111.3	I153 F156 I206 V207 S212 Q214	I153-I210 HydrophobicContact CG1-CD1 4.14Å; F156-I210 HydrophobicContact CB-CD1 4.1Å; F156-I210 HydrophobicContact CB-CG2 3.93Å; F156-I210 HydrophobicContact CD1-CD1 4.04Å; F156-I210 HydrophobicContact CD1-CG1 4.35Å; F156-I210 HydrophobicContact CD2-CB 4.34Å; F156-I210 HydrophobicContact CD2-CD1 4.35Å; F156-I210 HydrophobicContact CD2-CG1 3.96Å; F156-I210 HydrophobicContact CD2-CG2 3.64Å; F156-I210 HydrophobicContact CE2-CG1 4.18Å; F156-I210 HydrophobicContact CE2-CG2 4.43Å; F156-I210 HydrophobicContact CG-CD1 3.91Å; F156-I210 HydrophobicContact CG-CG1 4.04Å; F156-I210 HydrophobicContact CG-CG2 3.99Å; F156-I210 HydrophobicContact CZ-CG1 4.48Å; I206-I210 HydrophobicContact CG2-CD1 3.92Å; I206-I210 WeakPolarHBondContact O-CB 3.16Å; I206-I210 WeakPolarHBondContact O-CD1 3.32Å; I206-I210 VanDerWaalsContact O-CG1 3.24Å; I206-I210 WeakPolarHBondContact O-CG1 3.44Å; I206-I210 PolarHBondContact O-N 3.04Å; V207-I210 PolarHBondContact O-N 2.65Å; I210-S212 VanDerWaalsContact C-N 3.33Å; I210-S212 PolarHBondContact O-N 2.91Å; I210-Q214 WeakPolarHBondContact O-CB 3.47Å; I210-Q214 VanDerWaalsContact O-CG 3.24Å; I210-Q214 WeakPolarHBondContact O-CG 3.24Å; I210-Q214 PolarHBondContact O-N 2.84Å
211	A	70.9	Confident	60.2	Low	32 Å²	32	90.1 Å²	90.1	26%	0.264	43%	0.427	S	S	.	.	H	α-helix	trans	-71.3	-26.4	-178.8	0	0	0	0	0	112.9	V207 D209 R215	V207-A211 WeakPolarHBondContact O-CB 3.28Å; V207-A211 PolarHBondContact O-N 2.83Å; D209-A211 VanDerWaalsContact C-N 3.32Å; D209-A211 PolarHBondContact O-N 3.18Å; A211-R215 VanDerWaalsContact O-CG 3.32Å; A211-R215 WeakPolarHBondContact O-CG 3.14Å; A211-R215 PolarHBondContact O-N 3.45Å; A211-R215 PolarHBondContact O-NE 3.14Å
212	S	64.2	Low	60.2	Low	39 Å²	39	88.3 Å²	88.3	27%	0.273	43%	0.428	S	S	.	.	H	α-helix	trans	-72.8	-50.7	173.8	-59.4	0	0	0	0	110.8	D208 D209 I210 Q214 R215 E216	D208-S212 VanDerWaalsContact O-CB 3.27Å; D208-S212 WeakPolarHBondContact O-CB 3.28Å; D208-S212 PolarHBondContact O-N 3.37Å; D208-S212 PolarHBondContact O-OG 3.27Å; D209-S212 PolarHBondContact O-N 2.97Å; D209-S212 VanDerWaalsContact O-N 3.1Å; I210-S212 VanDerWaalsContact C-N 3.33Å; I210-S212 PolarHBondContact O-N 2.91Å; S212-Q214 VanDerWaalsContact C-N 3.28Å; S212-Q214 PolarHBondContact O-N 2.9Å; S212-R215 WeakPolarHBondContact O-CA 3.35Å; S212-R215 WeakPolarHBondContact O-CB 3.47Å; S212-R215 PolarHBondContact O-N 2.93Å; S212-R215 PolarHBondContact OG-NH2 3.41Å; S212-E216 PolarHBondContact O-N 3.08Å
213	R	58	Low	59.8	Low	65 Å²	65	86.7 Å²	86.7	25%	0.245	42%	0.421	C	S	.	.	H	α-helix	trans	-67.1	-26.7	178.1	-58.3	-174.6	-156.5	-127.6	17.8	113.2	D209 R215 E216 I227	D209-R213 VanDerWaalsContact CG-NE 3.3Å; D209-R213 WeakPolarHBondContact O-CG 3.23Å; D209-R213 PolarHBondContact O-N 3.49Å; D209-R213 IonicContact OD1-CZ 3.86Å; D209-R213 VanDerWaalsContact OD1-CZ 3.29Å; D209-R213 IonicContact OD1-NE 3.49Å; D209-R213 PolarHBondContact OD1-NE 3.18Å; D209-R213 IonicContact OD1-NH2 3.41Å; D209-R213 PolarHBondContact OD1-NH2 2.93Å; D209-R213 VanDerWaalsContact OD1-NH2 3.14Å; D209-R213 IonicContact OD2-CZ 2.66Å; D209-R213 IonicContact OD2-NE 3.48Å; D209-R213 PolarHBondContact OD2-NE 3.14Å; D209-R213 IonicContact OD2-NH2 2.99Å; D209-R213 PolarHBondContact OD2-NH2 3.31Å; R213-R215 VanDerWaalsContact C-N 3.32Å; R213-E216 PolarHBondContact O-N 3.25Å; R213-I227 VanDerWaalsContact NH1-CG1 3.32Å
214	Q	64.9	Low	59.2	Low	107 Å²	107	91 Å²	91	50%	0.5	44%	0.436	S	S	.	.	H	α-helix	trans	-66	-31	168.3	-79.7	176.8	1.4	0	0	113.1	I210 S212	I210-Q214 WeakPolarHBondContact O-CB 3.47Å; I210-Q214 VanDerWaalsContact O-CG 3.24Å; I210-Q214 WeakPolarHBondContact O-CG 3.24Å; I210-Q214 PolarHBondContact O-N 2.84Å; S212-Q214 VanDerWaalsContact C-N 3.28Å; S212-Q214 PolarHBondContact O-N 2.9Å
215	R	63.4	Low	58.6	Low	183 Å²	183	89.7 Å²	89.7	69%	0.691	44%	0.436	S	S	*	.	H	α-helix	trans	-77.6	-19.9	178.1	-74.5	173.9	-72.8	178.3	1.1	113.4	A211 S212 R213 G217	A211-R215 VanDerWaalsContact O-CG 3.32Å; A211-R215 WeakPolarHBondContact O-CG 3.14Å; A211-R215 PolarHBondContact O-N 3.45Å; A211-R215 PolarHBondContact O-NE 3.14Å; S212-R215 WeakPolarHBondContact O-CA 3.35Å; S212-R215 WeakPolarHBondContact O-CB 3.47Å; S212-R215 PolarHBondContact O-N 2.93Å; S212-R215 PolarHBondContact OG-NH2 3.41Å; R213-R215 VanDerWaalsContact C-N 3.32Å; R215-G217 VanDerWaalsContact C-N 3.31Å; R215-G217 PolarHBondContact O-N 3.41Å
216	E	54.5	Low	57.9	Low	145 Å²	145	85.6 Å²	85.6	68%	0.678	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-11.8	-178.5	-66.9	-176.2	130.8	0	0	114.5	S212 R213	S212-E216 PolarHBondContact O-N 3.08Å; R213-E216 PolarHBondContact O-N 3.25Å
217	G	45.8	Very low	57.3	Low	53 Å²	53	86 Å²	86	55%	0.546	43%	0.43	S	S	.	.	S	Bend	trans	73.2	78	159.6	0	0	0	0	0	116	R215	R215-G217 VanDerWaalsContact C-N 3.31Å; R215-G217 PolarHBondContact O-N 3.41Å
218	R	42	Very low	56.4	Low	228 Å²	228	87.5 Å²	87.5	86%	0.86	44%	0.437	S	S	*	.			trans	87	90.9	-169.4	-59.3	-174.5	177.1	94.6	-3.1	113	N220	R218-N220 PolarHBondContact O-N 3.49Å
219	M	48.9	Very low	55.7	Low	51 Å²	51	87.3 Å²	87.3	25%	0.251	44%	0.435	S	S	.	.			trans	-57.9	126	157.3	-75.1	-161	75.6	0	0	110.2	D223 R224 I227	M219-D223 HydrophobicContact CE-CB 3.84Å; M219-R224 HydrophobicContact CB-CG 4.33Å; M219-R224 HydrophobicContact CE-CB 4.42Å; M219-R224 HydrophobicContact CE-CG 3.77Å; M219-R224 HydrophobicContact SD-CG 4.26Å; M219-I227 HydrophobicContact CE-CD1 3.44Å; M219-I227 VanDerWaalsContact CE-CD1 3.44Å; M219-I227 HydrophobicContact CE-CG1 4.42Å; M219-I227 HydrophobicContact SD-CD1 4.4Å
220	N	52.5	Low	55	Low	99 Å²	99	89.6 Å²	89.6	53%	0.529	44%	0.444	S	S	.	.			trans	-81.7	165.3	171.6	-51.1	-78.8	0	0	0	109.9	R218 I222 D223 R224	R218-N220 PolarHBondContact O-N 3.49Å; N220-I222 PolarHBondContact O-N 2.89Å; N220-D223 WeakPolarHBondContact CA-OD2 3.12Å; N220-D223 WeakPolarHBondContact CB-OD2 3.34Å; N220-D223 PolarHBondContact N-OD2 3.2Å; N220-D223 PolarHBondContact ND2-OD2 3.45Å; N220-D223 PolarHBondContact O-N 2.72Å; N220-D223 VanDerWaalsContact O-N 3.15Å; N220-R224 PolarHBondContact O-N 2.87Å
221	E	52.2	Low	54.4	Low	177 Å²	177	91.3 Å²	91.3	83%	0.827	45%	0.451	S	S	*	.	H	α-helix	trans	-61.8	-27.2	176.9	-65.6	-174.3	120.6	0	0	112.5	A225	E221-A225 WeakPolarHBondContact O-CB 3.46Å; E221-A225 PolarHBondContact O-N 2.73Å
222	I	52.1	Low	53.2	Low	126 Å²	126	93.8 Å²	93.8	65%	0.646	46%	0.456	S	S	*	.	H	α-helix	trans	-68.3	-47	174.1	-61.2	170.6	0	0	0	110.7	N220 R224 A225 V226	N220-I222 PolarHBondContact O-N 2.89Å; I222-R224 VanDerWaalsContact C-N 3.27Å; I222-R224 PolarHBondContact O-N 3.43Å; I222-A225 CarbonylContact O-C 3.55Å; I222-A225 WeakPolarHBondContact O-CA 3.38Å; I222-A225 WeakPolarHBondContact O-CB 3.39Å; I222-A225 PolarHBondContact O-N 3.23Å; I222-V226 WeakPolarHBondContact O-CG2 3.5Å; I222-V226 PolarHBondContact O-N 3.13Å
223	D	48.1	Very low	52.5	Low	64 Å²	64	97.9 Å²	97.9	34%	0.342	47%	0.471	S	S	.	.	H	α-helix	trans	-66.3	-35.2	-179.8	-45.1	-45.9	0	0	0	110.8	M219 N220 I227	M219-D223 HydrophobicContact CE-CB 3.84Å; N220-D223 WeakPolarHBondContact CA-OD2 3.12Å; N220-D223 WeakPolarHBondContact CB-OD2 3.34Å; N220-D223 PolarHBondContact N-OD2 3.2Å; N220-D223 PolarHBondContact ND2-OD2 3.45Å; N220-D223 PolarHBondContact O-N 2.72Å; N220-D223 VanDerWaalsContact O-N 3.15Å; D223-I227 WeakPolarHBondContact O-CG1 3.41Å; D223-I227 PolarHBondContact O-N 2.97Å
224	R	53.9	Low	52.1	Low	103 Å²	103	99.6 Å²	99.6	39%	0.389	48%	0.484	S	S	.	.	H	α-helix	trans	-60.4	-51.6	167.8	-73.7	-178.4	160.4	-158.8	-9.7	110.5	N160 M219 N220 I222 V226 I227 I228	N160-R224 PolarHBondContact OD1-NH2 3.29Å; M219-R224 HydrophobicContact CB-CG 4.33Å; M219-R224 HydrophobicContact CE-CB 4.42Å; M219-R224 HydrophobicContact CE-CG 3.77Å; M219-R224 HydrophobicContact SD-CG 4.26Å; N220-R224 PolarHBondContact O-N 2.87Å; I222-R224 VanDerWaalsContact C-N 3.27Å; I222-R224 PolarHBondContact O-N 3.43Å; R224-V226 VanDerWaalsContact C-N 3.32Å; R224-V226 PolarHBondContact O-N 3.07Å; R224-I227 PolarHBondContact O-N 2.86Å; R224-I228 HydrophobicContact CB-CD1 4.28Å; R224-I228 VanDerWaalsContact O-CB 3.22Å; R224-I228 WeakPolarHBondContact O-CB 3.17Å; R224-I228 VanDerWaalsContact O-CD1 3.27Å; R224-I228 WeakPolarHBondContact O-CD1 3.49Å; R224-I228 WeakPolarHBondContact O-CG1 3.37Å; R224-I228 PolarHBondContact O-N 2.77Å
225	A	52.6	Low	51	Low	47 Å²	47	95.5 Å²	95.5	39%	0.388	47%	0.465	S	S	.	.	H	α-helix	trans	-58.5	-39.5	179.9	0	0	0	0	0	113.1	E221 I222 I228 D229	E221-A225 WeakPolarHBondContact O-CB 3.46Å; E221-A225 PolarHBondContact O-N 2.73Å; I222-A225 CarbonylContact O-C 3.55Å; I222-A225 WeakPolarHBondContact O-CA 3.38Å; I222-A225 WeakPolarHBondContact O-CB 3.39Å; I222-A225 PolarHBondContact O-N 3.23Å; A225-I228 PolarHBondContact O-N 3.36Å; A225-D229 WeakPolarHBondContact O-CB 3.5Å; A225-D229 PolarHBondContact O-N 3.22Å
226	V	53.7	Low	50.1	Low	73 Å²	73	91.1 Å²	91.1	44%	0.442	46%	0.459	S	S	.	.	H	α-helix	trans	-65.1	-50.4	178.3	172.7	0	0	0	0	111.7	I222 R224 I228 D229 E230	I222-V226 WeakPolarHBondContact O-CG2 3.5Å; I222-V226 PolarHBondContact O-N 3.13Å; R224-V226 VanDerWaalsContact C-N 3.32Å; R224-V226 PolarHBondContact O-N 3.07Å; V226-I228 PolarHBondContact O-N 3.23Å; V226-D229 PolarHBondContact O-N 3.38Å; V226-E230 PolarHBondContact O-N 3.09Å
227	I	52.9	Low	49.6	Very low	37 Å²	37	88 Å²	88	19%	0.19	45%	0.446	C	S	.	.	H	α-helix	trans	-57.8	-43.3	174.7	-63.2	175.4	0	0	0	110.2	R213 M219 D223 R224 D229 E230 F231	R213-I227 VanDerWaalsContact NH1-CG1 3.32Å; M219-I227 HydrophobicContact CE-CD1 3.44Å; M219-I227 VanDerWaalsContact CE-CD1 3.44Å; M219-I227 HydrophobicContact CE-CG1 4.42Å; M219-I227 HydrophobicContact SD-CD1 4.4Å; D223-I227 WeakPolarHBondContact O-CG1 3.41Å; D223-I227 PolarHBondContact O-N 2.97Å; R224-I227 PolarHBondContact O-N 2.86Å; I227-D229 VanDerWaalsContact C-N 3.3Å; I227-D229 PolarHBondContact O-N 2.96Å; I227-E230 PolarHBondContact O-N 2.87Å; I227-F231 VanDerWaalsContact O-CB 3.23Å; I227-F231 WeakPolarHBondContact O-CB 3.4Å; I227-F231 PolarHBondContact O-N 3.48Å
228	I	53.2	Low	49.1	Very low	45 Å²	45	89.9 Å²	89.9	23%	0.231	44%	0.444	C	S	.	.	H	α-helix	trans	-64.5	-35.4	-178.2	-71.5	168.8	0	0	0	111.2	V32 R224 A225 V226 K232	V32-I228 HydrophobicContact CB-CG2 4.45Å; V32-I228 HydrophobicContact CG1-CB 4.13Å; V32-I228 HydrophobicContact CG1-CD1 3.74Å; V32-I228 HydrophobicContact CG1-CG1 3.49Å; V32-I228 VanDerWaalsContact CG1-CG1 3.49Å; V32-I228 HydrophobicContact CG1-CG2 3.67Å; V32-I228 HydrophobicContact CG2-CG2 3.93Å; R224-I228 HydrophobicContact CB-CD1 4.28Å; R224-I228 VanDerWaalsContact O-CB 3.22Å; R224-I228 WeakPolarHBondContact O-CB 3.17Å; R224-I228 VanDerWaalsContact O-CD1 3.27Å; R224-I228 WeakPolarHBondContact O-CD1 3.49Å; R224-I228 WeakPolarHBondContact O-CG1 3.37Å; R224-I228 PolarHBondContact O-N 2.77Å; A225-I228 PolarHBondContact O-N 3.36Å; V226-I228 PolarHBondContact O-N 3.23Å; I228-K232 HydrophobicContact CG2-CD 4.44Å; I228-K232 VanDerWaalsContact CG2-CE 3.44Å; I228-K232 VanDerWaalsContact O-CB 3.28Å; I228-K232 WeakPolarHBondContact O-CB 3.35Å; I228-K232 WeakPolarHBondContact O-CG 3.36Å; I228-K232 PolarHBondContact O-N 2.79Å
229	D	52.2	Low	48.7	Very low	86 Å²	86	84 Å²	84	46%	0.46	43%	0.426	S	S	.	.	H	α-helix	trans	-81.6	-35	177.6	-78	0.4	0	0	0	112.8	A225 V226 I227 K232 E233	A225-D229 WeakPolarHBondContact O-CB 3.5Å; A225-D229 PolarHBondContact O-N 3.22Å; V226-D229 PolarHBondContact O-N 3.38Å; I227-D229 VanDerWaalsContact C-N 3.3Å; I227-D229 PolarHBondContact O-N 2.96Å; D229-K232 CarbonylContact O-C 3.58Å; D229-K232 PolarHBondContact O-N 3.47Å; D229-K232 WeakPolarHBondContact OD1-CD 3.49Å; D229-K232 IonicContact OD1-NZ 2.98Å; D229-K232 PolarHBondContact OD1-NZ 2.79Å; D229-E233 PolarHBondContact O-N 2.84Å
230	E	53.5	Low	48.2	Very low	106 Å²	106	84.5 Å²	84.5	50%	0.495	44%	0.438	S	S	.	.	H	α-helix	trans	-62	-45.1	168.6	-71.7	-173.4	136.2	0	0	111.3	V226 I227 K232 E233 I234	V226-E230 PolarHBondContact O-N 3.09Å; I227-E230 PolarHBondContact O-N 2.87Å; E230-K232 VanDerWaalsContact C-N 3.32Å; E230-K232 PolarHBondContact O-N 3.31Å; E230-E233 PolarHBondContact O-N 3.42Å; E230-I234 WeakPolarHBondContact O-CG1 3.17Å; E230-I234 PolarHBondContact O-N 2.96Å; E230-I234 VanDerWaalsContact O-N 3.08Å
231	F	51.9	Low	47.5	Very low	51 Å²	51	82.8 Å²	82.8	22%	0.224	43%	0.426	C	S	.	.	H	α-helix	trans	-70.6	-28.9	177.2	-143.9	-107.7	0	0	0	111.7	P35 L36 I227 L235	P35-F231 HydrophobicContact CB-CE1 3.86Å; P35-F231 HydrophobicContact CB-CZ 4.33Å; P35-F231 HydrophobicContact CG-CE1 3.85Å; L36-F231 HydrophobicContact CD1-CE1 4.26Å; L36-F231 HydrophobicContact CD1-CZ 4.33Å; L36-F231 HydrophobicContact CD2-CZ 4.45Å; L36-F231 HydrophobicContact CG-CE1 4.07Å; L36-F231 HydrophobicContact CG-CZ 3.94Å; I227-F231 VanDerWaalsContact O-CB 3.23Å; I227-F231 WeakPolarHBondContact O-CB 3.4Å; I227-F231 PolarHBondContact O-N 3.48Å; F231-L235 HydrophobicContact CD1-CD1 4.31Å; F231-L235 VanDerWaalsContact O-CB 3.23Å; F231-L235 WeakPolarHBondContact O-CB 3.28Å; F231-L235 WeakPolarHBondContact O-CG 3.3Å; F231-L235 PolarHBondContact O-N 2.93Å
232	K	46.7	Very low	46.3	Very low	84 Å²	84	79.3 Å²	79.3	37%	0.365	41%	0.413	S	S	.	.	H	α-helix	trans	-68.8	-38.3	167.3	-82.8	175.4	-151.2	150.9	0	113	I228 D229 E230 I234 L235 V236	I228-K232 HydrophobicContact CG2-CD 4.44Å; I228-K232 VanDerWaalsContact CG2-CE 3.44Å; I228-K232 VanDerWaalsContact O-CB 3.28Å; I228-K232 WeakPolarHBondContact O-CB 3.35Å; I228-K232 WeakPolarHBondContact O-CG 3.36Å; I228-K232 PolarHBondContact O-N 2.79Å; D229-K232 CarbonylContact O-C 3.58Å; D229-K232 PolarHBondContact O-N 3.47Å; D229-K232 WeakPolarHBondContact OD1-CD 3.49Å; D229-K232 IonicContact OD1-NZ 2.98Å; D229-K232 PolarHBondContact OD1-NZ 2.79Å; E230-K232 VanDerWaalsContact C-N 3.32Å; E230-K232 PolarHBondContact O-N 3.31Å; K232-I234 VanDerWaalsContact C-N 3.31Å; K232-L235 CarbonylContact O-C 3.6Å; K232-L235 PolarHBondContact O-N 3.46Å; K232-V236 WeakPolarHBondContact O-CB 3.23Å; K232-V236 VanDerWaalsContact O-CG2 3.28Å; K232-V236 WeakPolarHBondContact O-CG2 3.28Å; K232-V236 PolarHBondContact O-N 3.37Å
233	E	50	Low	45.1	Very low	126 Å²	126	81 Å²	81	59%	0.589	42%	0.424	S	S	*	.	H	α-helix	trans	-62.7	-43.8	174.1	-77.7	-152.5	143.5	0	0	110	D229 E230 L235 N237	D229-E233 PolarHBondContact O-N 2.84Å; E230-E233 PolarHBondContact O-N 3.42Å; E233-L235 VanDerWaalsContact C-N 3.31Å; E233-L235 PolarHBondContact O-N 3.31Å; E233-N237 PolarHBondContact O-N 3.1Å; E233-N237 PolarHBondContact O-ND2 3.41Å
234	I	49.5	Very low	44.2	Very low	101 Å²	101	87.1 Å²	87.1	52%	0.518	45%	0.447	S	S	.	.	H	α-helix	trans	-59.6	-42.8	173.1	-64.9	165.9	0	0	0	110.8	E230 K232 L238	E230-I234 WeakPolarHBondContact O-CG1 3.17Å; E230-I234 PolarHBondContact O-N 2.96Å; E230-I234 VanDerWaalsContact O-N 3.08Å; K232-I234 VanDerWaalsContact C-N 3.31Å; I234-L238 HydrophobicContact CG2-CD1 4.36Å; I234-L238 WeakPolarHBondContact O-CG 3.47Å
235	L	41.6	Very low	42.8	Very low	20 Å²	20	90 Å²	90	11%	0.105	47%	0.47	C	S	.	.	H	α-helix	trans	-72.1	-39.6	179.7	-96.8	171.5	0	0	0	115.4	P35 F231 K232 E233 N237 L238 Q239	P35-L235 HydrophobicContact CG-CD1 3.68Å; P35-L235 HydrophobicContact CG-CD2 3.27Å; P35-L235 HydrophobicContact CG-CG 3.59Å; F231-L235 HydrophobicContact CD1-CD1 4.31Å; F231-L235 VanDerWaalsContact O-CB 3.23Å; F231-L235 WeakPolarHBondContact O-CB 3.28Å; F231-L235 WeakPolarHBondContact O-CG 3.3Å; F231-L235 PolarHBondContact O-N 2.93Å; K232-L235 CarbonylContact O-C 3.6Å; K232-L235 PolarHBondContact O-N 3.46Å; E233-L235 VanDerWaalsContact C-N 3.31Å; E233-L235 PolarHBondContact O-N 3.31Å; L235-N237 VanDerWaalsContact C-N 3.25Å; L235-N237 PolarHBondContact O-N 2.99Å; L235-L238 CarbonylContact O-C 3.59Å; L235-L238 WeakPolarHBondContact O-CA 3.49Å; L235-L238 WeakPolarHBondContact O-CB 3.34Å; L235-L238 PolarHBondContact O-N 2.87Å; L235-Q239 HydrophobicContact CD2-CG 4.34Å; L235-Q239 PolarHBondContact O-N 2.58Å
236	V	45	Very low	41.5	Very low	92 Å²	92	92.9 Å²	92.9	56%	0.558	48%	0.484	S	S	*	.	H	α-helix	trans	-68.8	-32.5	-179.3	168.6	0	0	0	0	109.6	K232 L238 A240	K232-V236 WeakPolarHBondContact O-CB 3.23Å; K232-V236 VanDerWaalsContact O-CG2 3.28Å; K232-V236 WeakPolarHBondContact O-CG2 3.28Å; K232-V236 PolarHBondContact O-N 3.37Å; V236-L238 PolarHBondContact O-N 2.96Å; V236-A240 VanDerWaalsContact O-CB 3.24Å; V236-A240 WeakPolarHBondContact O-CB 3.16Å; V236-A240 PolarHBondContact O-N 3.22Å; V236-A240 VanDerWaalsContact O-N 3.1Å
237	N	43.2	Very low	40.1	Very low	78 Å²	78	97.9 Å²	97.9	42%	0.417	51%	0.508	S	S	.	.	H	α-helix	trans	-66.8	-11.7	167.5	-74.3	-62.2	0	0	0	114	E233 L235	E233-N237 PolarHBondContact O-N 3.1Å; E233-N237 PolarHBondContact O-ND2 3.41Å; L235-N237 VanDerWaalsContact C-N 3.25Å; L235-N237 PolarHBondContact O-N 2.99Å
238	L	36.1	Very low	38.7	Very low	93 Å²	93	105 Å²	105	49%	0.487	54%	0.537	S	S	.	.	H	α-helix	trans	-105.8	-37.7	175.1	-67.2	167.6	0	0	0	113.1	I234 L235 V236 F241	I234-L238 HydrophobicContact CG2-CD1 4.36Å; I234-L238 WeakPolarHBondContact O-CG 3.47Å; L235-L238 CarbonylContact O-C 3.59Å; L235-L238 WeakPolarHBondContact O-CA 3.49Å; L235-L238 WeakPolarHBondContact O-CB 3.34Å; L235-L238 PolarHBondContact O-N 2.87Å; V236-L238 PolarHBondContact O-N 2.96Å; L238-F241 WeakPolarHBondContact O-CB 3.14Å
239	Q	33.6	Very low	37.3	Very low	105 Å²	105	108 Å²	108	49%	0.491	56%	0.562	S	S	.	*	H	α-helix	trans	-86.1	-13.4	-177.9	-76.7	-175.9	-23.9	0	0	113.8	L235 F241	L235-Q239 HydrophobicContact CD2-CG 4.34Å; L235-Q239 PolarHBondContact O-N 2.58Å; Q239-F241 PolarHBondContact O-N 2.92Å
240	A	36.9	Very low	36	Very low	62 Å²	62	111.6 Å²	111.6	51%	0.512	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.5	2.2	167	0	0	0	0	0	114.1	V236 I654	V236-A240 VanDerWaalsContact O-CB 3.24Å; V236-A240 WeakPolarHBondContact O-CB 3.16Å; V236-A240 PolarHBondContact O-N 3.22Å; V236-A240 VanDerWaalsContact O-N 3.1Å; A240-I654 HydrophobicContact CB-CD1 4.07Å
241	F	37.6	Very low	34.8	Very low	63 Å²	63	112.9 Å²	112.9	28%	0.276	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.9	-29.6	-178.4	-83.7	-86.5	0	0	0	115.5	L238 Q239 K636 T651 I654	L238-F241 WeakPolarHBondContact O-CB 3.14Å; Q239-F241 PolarHBondContact O-N 2.92Å; F241-K636 VanDerWaalsContact CE1-NZ 3.29Å; F241-K636 HydrophobicContact CZ-CD 4.46Å; F241-T651 HydrophobicContact CE2-CG2 4.22Å; F241-T651 HydrophobicContact CZ-CG2 3.64Å; F241-T651 WeakPolarHBondContact CZ-OG1 3.48Å; F241-I654 HydrophobicContact CE2-CD1 4.08Å; F241-I654 HydrophobicContact CZ-CD1 4.47Å
242	D	28.1	Very low	33.5	Very low	103 Å²	103	116.8 Å²	116.8	55%	0.551	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-20.5	-170.7	-72.1	-54	0	0	0	114.1	K244	D242-K244 PolarHBondContact O-N 3.41Å
243	D	25.7	Very low	32.4	Very low	162 Å²	162	119.1 Å²	119.1	87%	0.866	63%	0.63	S	S	*	*	S	Bend	trans	-83.5	38.7	-172	-124.5	1.7	0	0	0	114.3
244	K	29.3	Very low	31.4	Very low	192 Å²	192	119.7 Å²	119.7	84%	0.835	64%	0.638	S	S	*	*			trans	-139.4	53.5	174.9	-77.2	-167.6	179.6	171.2	0	114.4	D242 P246	D242-K244 PolarHBondContact O-N 3.41Å; K244-P246 VanDerWaalsContact O-CD 3.27Å; K244-P246 WeakPolarHBondContact O-CD 3.18Å
245	L	24.5	Very low	30.3	Very low	165 Å²	165	123 Å²	123	86%	0.864	65%	0.648	S	S	*	*			trans	-91.5	106.6	162.1	-90	165.1	0	0	0	111.3	L247	L245-L247 PolarHBondContact O-N 3.43Å
246	P	26.3	Very low	29.6	Very low	107 Å²	107	129.1 Å²	129.1	70%	0.695	68%	0.676	S	S	*	*			trans	-84.3	93.3	-179.3	33.4	-34.5	0	0	0	111.9	K244 K248	K244-P246 VanDerWaalsContact O-CD 3.27Å; K244-P246 WeakPolarHBondContact O-CD 3.18Å; P246-K248 PolarHBondContact O-N 2.98Å
247	L	24.4	Very low	28.8	Very low	178 Å²	178	132.4 Å²	132.4	93%	0.932	69%	0.685	S	S	*	*			trans	-63	98.6	169.6	-102.9	160.9	0	0	0	111.1	L245	L245-L247 PolarHBondContact O-N 3.43Å
248	K	23.5	Very low	27.8	Very low	187 Å²	187	133.1 Å²	133.1	81%	0.813	70%	0.696	S	S	*	*			trans	-83.5	115.6	173.1	-77.8	-177.2	177.1	176	0	111	P246	P246-K248 PolarHBondContact O-N 2.98Å
249	S	22.6	Very low	27.4	Very low	108 Å²	108	136.7 Å²	136.7	76%	0.755	72%	0.715	S	S	*	*				142.1	121.7	125.5	63.3	0	0	0	0	114
250	L	26.8	Very low	26.8	Very low	160 Å²	160	138 Å²	138	84%	0.838	73%	0.726	S	S	*	*				-163.6	133.5	124.2	-130.5	72.1	0	0	0	111.5
251	N	27.4	Very low	26.3	Very low	134 Å²	134	140.3 Å²	140.3	72%	0.717	73%	0.733	S	S	*	*			trans	26.6	108.2	160.9	-75.1	-29.4	0	0	0	123
252	N	24	Very low	25.7	Very low	133 Å²	133	143.8 Å²	143.8	71%	0.711	75%	0.754	S	S	*	*				54.5	136	103.2	-73.1	-14	0	0	0	123.5
253	N	24.4	Very low	25.5	Very low	133 Å²	133	146.1 Å²	146.1	71%	0.711	77%	0.767	S	S	*	*			trans	75	98.8	145.7	-59.9	-15.4	0	0	0	120.6
254	N	28.1	Very low	25.6	Very low	138 Å²	138	143.5 Å²	143.5	74%	0.738	76%	0.756	S	S	*	*				-173.5	156.6	91	-101.1	-68	0	0	0	115.5
255	K	27.3	Very low	25.5	Very low	170 Å²	170	141.8 Å²	141.8	74%	0.739	76%	0.756	S	S	*	*			trans	0.2	150.5	148.1	-64.3	170.9	-178.5	178.4	0	119.1
256	Q	26.2	Very low	25.6	Very low	149 Å²	149	138.7 Å²	138.7	70%	0.696	75%	0.749	S	S	*	*			cis	-164.8	174.4	13.6	-135.3	163.1	-55.2	0	0	114
257	H	28.3	Very low	25.8	Very low	161 Å²	161	140.3 Å²	140.3	75%	0.745	75%	0.751	S	S	*	*			trans	81.3	118.7	157.7	-89.3	-74.2	0	0	0	122.5
258	S	22.6	Very low	26.1	Very low	93 Å²	93	137.1 Å²	137.1	65%	0.65	74%	0.735	S	S	*	*			trans	-87.6	167.1	157.3	53.1	0	0	0	0	110.8
259	L	26.7	Very low	26.6	Very low	168 Å²	168	135.9 Å²	135.9	88%	0.88	73%	0.729	S	S	*	*				-164.8	-180	89.9	-95.2	171.5	0	0	0	114.4
260	N	22.1	Very low	26.9	Very low	133 Å²	133	137.2 Å²	137.2	71%	0.711	73%	0.728	S	S	*	*			trans	-139.6	142.2	-169.6	-171.7	13.4	0	0	0	106.5
261	V	26.3	Very low	27.1	Very low	110 Å²	110	135.1 Å²	135.1	67%	0.667	72%	0.722	S	S	*	*				172.2	135.3	87.8	161.6	0	0	0	0	110.8
262	N	24.4	Very low	27.2	Very low	136 Å²	136	135 Å²	135	73%	0.727	72%	0.721	S	S	*	*			trans	19.5	129.9	146	-53.2	-24.4	0	0	0	125.3
263	N	25.5	Very low	27.5	Very low	151 Å²	151	138.4 Å²	138.4	81%	0.807	72%	0.724	S	S	*	*				68.1	138	116.2	-152.3	22.3	0	0	0	119.9
264	V	26.1	Very low	27.8	Very low	107 Å²	107	138 Å²	138	65%	0.648	72%	0.722	S	S	*	*				174	153.3	86.3	155.5	0	0	0	0	112.8
265	N	27.8	Very low	27.9	Very low	156 Å²	156	138 Å²	138	83%	0.834	72%	0.722	S	S	*	*			trans	85	169.7	156.8	-81.7	-8.1	0	0	0	123.9
266	S	27.6	Very low	27.8	Very low	101 Å²	101	135.8 Å²	135.8	71%	0.706	72%	0.723	S	S	*	*			trans	-152.2	168.1	-158	64	0	0	0	0	113.4
267	L	30	Very low	28.1	Very low	141 Å²	141	136.6 Å²	136.6	74%	0.738	73%	0.73	S	S	*	*				148.2	136.2	121.9	-153.7	82.2	0	0	0	115.9
268	D	30	Very low	28	Very low	111 Å²	111	136.9 Å²	136.9	59%	0.594	74%	0.737	S	S	*	*			trans	65.1	161.9	149.4	-86.5	14.1	0	0	0	121.2
269	K	33.6	Very low	28.2	Very low	160 Å²	160	136.4 Å²	136.4	70%	0.696	75%	0.746	S	S	*	*			cis	-157.5	176.1	13.4	-141.1	154.4	-167.7	130.8	0	116.6
270	N	29	Very low	28.3	Very low	137 Å²	137	135.7 Å²	135.7	73%	0.733	74%	0.744	S	S	*	*			trans	84.7	139.1	162.8	-57.7	-19.4	0	0	0	116.6
271	T	31.6	Very low	28.7	Very low	115 Å²	115	135.4 Å²	135.4	71%	0.706	74%	0.742	S	S	*	*			cis	-171.2	171.6	-6.1	21.4	0	0	0	0	107.9
272	N	29.5	Very low	29	Very low	131 Å²	131	136.3 Å²	136.3	70%	0.701	74%	0.743	S	S	*	*			cis	-162.1	169.6	1.8	-128.2	-26.7	0	0	0	113.3
273	R	30.7	Very low	29.5	Very low	205 Å²	205	136.7 Å²	136.7	77%	0.774	75%	0.745	S	S	*	*			trans	56.1	105.7	148.8	-70.2	-171.7	167.8	150.8	-0	125.2
274	D	30.2	Very low	29.9	Very low	126 Å²	126	133.3 Å²	133.3	67%	0.674	75%	0.746	S	S	*	*				67.2	118.9	105.8	-51.1	-14	0	0	0	125.9
275	N	29.6	Very low	30	Very low	138 Å²	138	134.6 Å²	134.6	74%	0.738	76%	0.759	S	S	*	*				72.8	117.2	126.8	-63.5	-18.4	0	0	0	125.6
276	T	25.6	Very low	29.9	Very low	122 Å²	122	132.3 Å²	132.3	75%	0.748	76%	0.755	S	S	*	*			trans	28.4	133.4	137.8	56.4	0	0	0	0	123.2
277	I	32.5	Very low	30.1	Very low	166 Å²	166	133.8 Å²	133.8	85%	0.851	76%	0.76	S	S	*	*				-175.1	160.1	121.3	-99.5	159.1	0	0	0	111.9
278	N	26	Very low	30.1	Very low	168 Å²	168	134.5 Å²	134.5	90%	0.898	76%	0.763	S	S	*	*			trans	-74	149.4	174.9	-73.8	-30.4	0	0	0	113.2
279	G	28.5	Very low	30.3	Very low	82 Å²	82	135.1 Å²	135.1	85%	0.845	77%	0.774	S	S	*	*			trans	-164.9	142.6	167.4	0	0	0	0	0	111.3
280	N	27.4	Very low	30.1	Very low	153 Å²	153	133.2 Å²	133.2	82%	0.818	78%	0.779	S	S	*	*			trans	-127.2	179.2	-172.2	-159.3	10.8	0	0	0	111.4
281	N	31.1	Very low	30.1	Very low	127 Å²	127	132 Å²	132	68%	0.679	78%	0.777	S	S	*	*			trans	85	148.7	169.9	-52.5	-12.9	0	0	0	115.1
282	N	33.5	Very low	29.9	Very low	129 Å²	129	132.6 Å²	132.6	69%	0.69	78%	0.781	S	S	*	*			cis	-155.9	166.8	8.8	-135.5	-2.8	0	0	0	116.6
283	N	34.7	Very low	30.1	Very low	144 Å²	144	133.4 Å²	133.4	77%	0.77	79%	0.79	S	S	*	*			trans	80.5	115.8	149.7	-66.1	-12.3	0	0	0	123.6
284	G	32.5	Very low	30.1	Very low	81 Å²	81	131 Å²	131	84%	0.835	79%	0.793	S	S	*	*			trans	109.5	129.8	137.6	0	0	0	0	0	117
285	C	28.9	Very low	30.5	Very low	134 Å²	134	130 Å²	130	91%	0.905	79%	0.793	S	S	*	*			cis	-156.7	161.3	-16.9	-166.3	0	0	0	0	108.5
286	S	25.3	Very low	30.6	Very low	107 Å²	107	134.9 Å²	134.9	75%	0.748	80%	0.801	S	S	*	*			trans	-149.4	145.6	-172.4	55.3	0	0	0	0	115
287	T	31.8	Very low	30.9	Very low	132 Å²	132	134.2 Å²	134.2	81%	0.81	80%	0.802	S	S	*	*			trans	178.8	148.5	170.7	17.9	0	0	0	0	107.7
288	L	30.1	Very low	30.9	Very low	156 Å²	156	131.2 Å²	131.2	82%	0.817	80%	0.795	S	S	*	*			cis	-136.4	167.4	-9.7	-61	96.3	0	0	0	109.5
289	P	34.4	Very low	31.2	Very low	125 Å²	125	129.7 Å²	129.7	81%	0.812	79%	0.792	S	S	*	*			trans	-140.6	149.4	139.9	37.6	-25.1	0	0	0	114.4
290	C	29.6	Very low	31.3	Very low	120 Å²	120	131.3 Å²	131.3	81%	0.811	79%	0.788	S	S	*	*			trans	-160.5	116.8	157.8	-121.7	0	0	0	0	115.6
291	T	28.3	Very low	31.3	Very low	112 Å²	112	129 Å²	129	69%	0.687	78%	0.784	S	S	*	*			trans	46	127.3	138.3	57	0	0	0	0	124.7
292	T	28.7	Very low	31.3	Very low	127 Å²	127	129.2 Å²	129.2	78%	0.779	79%	0.79	S	S	*	*			trans	71.2	108.4	137	54	0	0	0	0	122.4
293	T	33.3	Very low	31.2	Very low	148 Å²	148	130.2 Å²	130.2	91%	0.908	79%	0.793	S	S	*	*				-158.8	162.3	125.1	7.1	0	0	0	0	110.4
294	N	29.5	Very low	30.8	Very low	155 Å²	155	128.9 Å²	128.9	83%	0.829	80%	0.796	S	S	*	*			trans	-150.1	172	-173.5	-120.7	-15.5	0	0	0	107.7
295	P	38.5	Very low	30.8	Very low	104 Å²	104	130.2 Å²	130.2	68%	0.675	79%	0.79	S	S	*	*			cis	-133.6	165.5	-30.2	38.8	-24.6	0	0	0	113.1
296	R	32.2	Very low	31	Very low	241 Å²	241	129.3 Å²	129.3	91%	0.909	78%	0.78	S	S	*	*			trans	-172.3	142	145.1	-111.9	168.7	-174.8	-168.2	0.6	113.2
297	S	33.3	Very low	31.1	Very low	108 Å²	108	131.6 Å²	131.6	76%	0.755	78%	0.784	S	S	*	*			trans	34.1	128.7	157.8	53.5	0	0	0	0	120.5
298	S	32.2	Very low	31	Very low	103 Å²	103	130.3 Å²	130.3	72%	0.72	78%	0.78	S	S	*	*			cis	-165.8	161.8	4.1	41.8	0	0	0	0	112.6
299	T	32.4	Very low	30.9	Very low	136 Å²	136	129.2 Å²	129.2	83%	0.834	77%	0.774	S	S	*	*			trans	65.1	109.7	175	63.9	0	0	0	0	118.5
300	P	29.7	Very low	30.6	Very low	116 Å²	116	132.9 Å²	132.9	75%	0.753	77%	0.771	S	S	*	*			trans	-132	158.4	154	38.4	-26.6	0	0	0	114.4
301	S	27.3	Very low	30.5	Very low	105 Å²	105	134 Å²	134	73%	0.734	76%	0.764	S	S	*	*			trans	59.2	127.9	151.2	61.7	0	0	0	0	121.4
302	T	31.1	Very low	30.5	Very low	130 Å²	130	138 Å²	138	80%	0.798	77%	0.773	S	S	*	*				-159.3	145	108.7	8.1	0	0	0	0	113.1
303	I	31.6	Very low	30.4	Very low	150 Å²	150	135.5 Å²	135.5	77%	0.769	77%	0.772	S	S	*	*			trans	64	106.2	160	-55.2	161.1	0	0	0	118.1
304	S	25.9	Very low	30.3	Very low	117 Å²	117	139.7 Å²	139.7	82%	0.818	77%	0.771	S	S	*	*			trans	-124.1	152.6	131.9	-64.2	0	0	0	0	106.6
305	P	33.5	Very low	30.2	Very low	109 Å²	109	141.9 Å²	141.9	71%	0.708	77%	0.774	S	S	*	*				-151.9	-173.1	95	39.6	-20.7	0	0	0	115.7
306	T	32.3	Very low	30.1	Very low	114 Å²	114	144.9 Å²	144.9	70%	0.699	78%	0.778	S	S	*	*			trans	77.8	101.2	162.7	63.4	0	0	0	0	121.9
307	N	27.8	Very low	30.1	Very low	155 Å²	155	136.9 Å²	136.9	83%	0.829	76%	0.764	S	S	*	*				84.6	129.1	124.1	-62.9	-10.6	0	0	0	123.1
308	S	28.6	Very low	30.1	Very low	105 Å²	105	135 Å²	135	73%	0.734	75%	0.754	S	S	*	*			trans	84.7	83.2	144.5	-148.4	0	0	0	0	120.7
309	I	28.7	Very low	30	Very low	134 Å²	134	132.7 Å²	132.7	69%	0.687	74%	0.742	S	S	*	*				50	117.5	112.5	-61.2	175.1	0	0	0	118.4
310	R	28.6	Very low	30.1	Very low	202 Å²	202	129.7 Å²	129.7	76%	0.762	73%	0.726	S	S	*	*			trans	91.4	108	151.8	-82.5	-175.8	-89.2	-137.1	-5	121.7
311	H	27.7	Very low	30.4	Very low	142 Å²	142	133.7 Å²	133.7	66%	0.657	73%	0.727	S	S	*	*				98.6	115.5	123.3	-69.5	-35.2	0	0	0	121.6
312	F	27.2	Very low	30.8	Very low	197 Å²	197	134.5 Å²	134.5	86%	0.864	72%	0.721	S	S	*	*			trans	48.9	83.5	137.3	-60.7	-62.8	0	0	0	118.7
313	G	26.2	Very low	31.1	Very low	74 Å²	74	136.1 Å²	136.1	76%	0.763	71%	0.713	S	S	*	*			trans	-157	46.1	175.4	0	0	0	0	0	116.5
314	R	31.4	Very low	31.3	Very low	236 Å²	236	138.9 Å²	138.9	89%	0.891	71%	0.713	S	S	*	*	S	Bend	trans	-131.6	-9.8	175.2	-81.2	-163.1	173	-170.2	-1.8	119
315	F	29.1	Very low	31.6	Very low	202 Å²	202	141.7 Å²	141.7	89%	0.886	71%	0.711	S	S	*	*	S	Bend	trans	-105.5	-6.7	178.1	-77.7	-74.7	0	0	0	115.8
316	H	35.1	Very low	31.6	Very low	166 Å²	166	142.1 Å²	142.1	77%	0.769	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-5.2	-175.2	-137.1	-60.1	0	0	0	115.2
317	A	32.6	Very low	31.6	Very low	73 Å²	73	141.3 Å²	141.3	60%	0.603	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-17	-174.9	0	0	0	0	0	114.7
318	A	32.4	Very low	31.6	Very low	68 Å²	68	138.3 Å²	138.3	56%	0.562	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-48.2	-179.3	0	0	0	0	0	112.3	S320 R321	A318-S320 PolarHBondContact O-N 2.97Å; A318-S320 VanDerWaalsContact O-N 3.12Å; A318-R321 PolarHBondContact O-N 3.26Å; A318-R321 VanDerWaalsContact O-N 3.09Å
319	A	30.2	Very low	31.7	Very low	55 Å²	55	138.8 Å²	138.8	46%	0.455	71%	0.711	S	S	.	*	H	α-helix	trans	-57.7	-30.4	-176.9	0	0	0	0	0	113.8	R321	A319-R321 VanDerWaalsContact C-N 3.3Å; A319-R321 PolarHBondContact O-N 2.75Å
320	S	34.3	Very low	32	Very low	73 Å²	73	140.7 Å²	140.7	51%	0.51	72%	0.721	S	S	.	*	H	α-helix	trans	-78.7	-5.3	-178.8	-52.5	0	0	0	0	114.9	A318	A318-S320 PolarHBondContact O-N 2.97Å; A318-S320 VanDerWaalsContact O-N 3.12Å
321	R	36.3	Very low	31.9	Very low	201 Å²	201	135.9 Å²	135.9	76%	0.758	72%	0.718	S	S	*	*	H	α-helix	trans	-96.6	-31.2	174.7	-64.7	-169.1	-177	-154.8	-0	113.2	A318 A319	A318-R321 PolarHBondContact O-N 3.26Å; A318-R321 VanDerWaalsContact O-N 3.09Å; A319-R321 VanDerWaalsContact C-N 3.3Å; A319-R321 PolarHBondContact O-N 2.75Å
322	I	37	Very low	32.1	Very low	121 Å²	121	133.6 Å²	133.6	62%	0.621	72%	0.719	S	S	*	*	H	α-helix	trans	-71.6	-39.5	-177.9	-61	175.4	0	0	0	111.1	R324 F325	I322-R324 PolarHBondContact O-N 3.29Å; I322-F325 PolarHBondContact O-N 3.12Å
323	R	37.1	Very low	32.2	Very low	165 Å²	165	131 Å²	131	62%	0.623	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	15.8	-179.9	-61.8	-171.3	-179	-157.4	-2.8	115.9
324	R	35	Very low	32.5	Very low	207 Å²	207	134.3 Å²	134.3	78%	0.781	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.3	6.8	177.4	-112.4	-169.8	-73.7	-171.6	-3.4	115.3	I322	I322-R324 PolarHBondContact O-N 3.29Å
325	F	33.3	Very low	32.5	Very low	177 Å²	177	130.5 Å²	130.5	78%	0.776	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.8	-7.6	175.1	-73.2	-76.2	0	0	0	114.4	I322 A327	I322-F325 PolarHBondContact O-N 3.12Å; F325-A327 VanDerWaalsContact C-N 3.32Å; F325-A327 PolarHBondContact O-N 2.96Å
326	T	33.3	Very low	32.6	Very low	117 Å²	117	128.3 Å²	128.3	72%	0.718	71%	0.707	S	S	*	*	S	Bend	trans	-93.5	54.1	175.4	59	0	0	0	0	111.5
327	A	31.3	Very low	32.6	Very low	97 Å²	97	124.8 Å²	124.8	80%	0.802	70%	0.699	S	S	*	*	S	Bend	trans	-142.4	26.3	179.7	0	0	0	0	0	112.6	F325	F325-A327 VanDerWaalsContact C-N 3.32Å; F325-A327 PolarHBondContact O-N 2.96Å
328	S	28.7	Very low	33.1	Very low	93 Å²	93	128.3 Å²	128.3	65%	0.65	71%	0.706	S	S	*	*	S	Bend	trans	-160.4	131.7	172.1	49.6	0	0	0	0	108.7
329	S	29.7	Very low	33.6	Very low	114 Å²	114	131.7 Å²	131.7	80%	0.797	71%	0.71	S	S	*	*			trans	49.4	110.1	173.9	60.4	0	0	0	0	118.3
330	I	34.9	Very low	33.9	Very low	175 Å²	175	134.9 Å²	134.9	90%	0.897	72%	0.724	S	S	*	*			trans	-149.9	145.7	136.1	-101	150.8	0	0	0	107.2
331	S	27.7	Very low	34.2	Very low	100 Å²	100	134 Å²	134	70%	0.699	72%	0.721	S	S	*	*			trans	-91.2	167.4	-177.1	50.8	0	0	0	0	113.1
332	S	31.2	Very low	34.9	Very low	95 Å²	95	128.1 Å²	128.1	66%	0.664	71%	0.711	S	S	*	*	S	Bend	trans	-22.1	142.2	164.4	52	0	0	0	0	118.4
333	N	30.4	Very low	36.2	Very low	143 Å²	143	126.3 Å²	126.3	77%	0.765	71%	0.709	S	S	*	*			trans	74.5	112.7	167.8	-49.6	-2.3	0	0	0	113.3
334	D	31.9	Very low	37.7	Very low	142 Å²	142	125.9 Å²	125.9	76%	0.759	71%	0.709	S	S	*	*			cis	-158.1	156.9	44.4	-86	-39.9	0	0	0	115.1
335	L	30.9	Very low	39.5	Very low	156 Å²	156	118.2 Å²	118.2	82%	0.817	69%	0.685	S	S	*	*			trans	34.9	100.9	146.3	-60.4	169.3	0	0	0	120.7
336	L	30.7	Very low	41.2	Very low	156 Å²	156	111.2 Å²	111.2	82%	0.817	66%	0.657	S	S	*	*				164.7	148.3	120.4	-87.3	168.6	0	0	0	111	I338	L336-I338 PolarHBondContact O-N 3.1Å
337	P	35.2	Very low	43	Very low	93 Å²	93	111.9 Å²	111.9	60%	0.604	65%	0.648	S	S	*	*			trans	-75.9	118.5	-176.4	29	-33.4	0	0	0	113	E339	P337-E339 VanDerWaalsContact C-N 3.33Å; P337-E339 PolarHBondContact O-N 2.95Å; P337-E339 VanDerWaalsContact O-N 3.14Å
338	I	43.5	Very low	45.1	Very low	146 Å²	146	112 Å²	112	75%	0.749	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	59.9	-174.7	-46	178.6	0	0	0	111.2	L336 A341	L336-I338 PolarHBondContact O-N 3.1Å; I338-A341 HydrophobicContact CG2-CB 3.95Å
339	E	42.5	Very low	47.7	Very low	140 Å²	140	110.4 Å²	110.4	65%	0.654	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	-44.2	175.9	-61.1	-161.5	145.4	0	0	112.4	P337 A341 S342	P337-E339 VanDerWaalsContact C-N 3.33Å; P337-E339 PolarHBondContact O-N 2.95Å; P337-E339 VanDerWaalsContact O-N 3.14Å; E339-A341 PolarHBondContact O-N 3.22Å; E339-A341 VanDerWaalsContact O-N 3.14Å; E339-S342 WeakPolarHBondContact O-CB 3.47Å; E339-S342 PolarHBondContact O-N 2.95Å
340	T	37.8	Very low	50	Low	121 Å²	121	105.7 Å²	105.7	74%	0.742	58%	0.58	S	S	*	*	H	α-helix	trans	-56.6	-32.2	177.9	56	0	0	0	0	113.2	S342 Y344	T340-S342 VanDerWaalsContact C-N 3.32Å; T340-S342 PolarHBondContact O-N 2.99Å; T340-Y344 PolarHBondContact O-N 3.41Å
341	A	39.7	Very low	52.1	Low	54 Å²	54	101 Å²	101	45%	0.446	55%	0.554	S	S	.	*	H	α-helix	trans	-67.5	-28.3	177.4	0	0	0	0	0	113.5	I338 E339 V345	I338-A341 HydrophobicContact CG2-CB 3.95Å; E339-A341 PolarHBondContact O-N 3.22Å; E339-A341 VanDerWaalsContact O-N 3.14Å; A341-V345 WeakPolarHBondContact O-CG2 3.41Å
342	S	52	Low	54.9	Low	78 Å²	78	98.1 Å²	98.1	55%	0.545	54%	0.54	S	S	.	.	H	α-helix	trans	-69.4	-53.9	176.6	-173.2	0	0	0	0	110.3	E339 T340 Y344 V345 S346	E339-S342 WeakPolarHBondContact O-CB 3.47Å; E339-S342 PolarHBondContact O-N 2.95Å; T340-S342 VanDerWaalsContact C-N 3.32Å; T340-S342 PolarHBondContact O-N 2.99Å; S342-Y344 VanDerWaalsContact C-N 3.32Å; S342-Y344 PolarHBondContact O-N 3.09Å; S342-V345 PolarHBondContact O-N 3.4Å; S342-S346 PolarHBondContact O-N 3.3Å; S342-S346 VanDerWaalsContact O-N 3.1Å; S342-S346 PolarHBondContact O-OG 2.93Å
343	S	64.2	Low	57.5	Low	84 Å²	84	95.3 Å²	95.3	59%	0.587	52%	0.517	S	S	*	.	H	α-helix	trans	-53.3	-43.1	-179	179.4	0	0	0	0	113.4	V345 S346 Y347	S343-V345 PolarHBondContact O-N 3.05Å; S343-S346 PolarHBondContact O-N 2.9Å; S343-Y347 WeakPolarHBondContact O-CB 3.38Å; S343-Y347 PolarHBondContact O-N 3Å
344	Y	68.9	Low	59.9	Low	156 Å²	156	93.9 Å²	93.9	61%	0.612	50%	0.501	S	S	*	.	H	α-helix	trans	-67.4	-31.9	178.2	-174.9	-101	0	0	0	113.5	T340 S342 R348	T340-Y344 PolarHBondContact O-N 3.41Å; S342-Y344 VanDerWaalsContact C-N 3.32Å; S342-Y344 PolarHBondContact O-N 3.09Å; Y344-R348 WeakPolarHBondContact O-CB 3.24Å; Y344-R348 PolarHBondContact O-N 3.12Å
345	V	71.9	Confident	62.6	Low	46 Å²	46	89.9 Å²	89.9	28%	0.279	48%	0.479	S	S	.	.	H	α-helix	trans	-69	-48.5	174.9	174.1	0	0	0	0	110.1	A341 S342 S343 Y347 R348 D349	A341-V345 WeakPolarHBondContact O-CG2 3.41Å; S342-V345 PolarHBondContact O-N 3.4Å; S343-V345 PolarHBondContact O-N 3.05Å; V345-Y347 VanDerWaalsContact C-N 3.35Å; V345-Y347 PolarHBondContact O-N 2.84Å; V345-R348 PolarHBondContact O-N 3.44Å; V345-D349 WeakPolarHBondContact O-CB 3.4Å; V345-D349 PolarHBondContact O-N 2.93Å
346	S	69.1	Low	65.5	Low	29 Å²	29	86 Å²	86	20%	0.203	46%	0.458	C	S	.	.	H	α-helix	trans	-55.1	-47.8	175.2	-54.9	0	0	0	0	112	S342 S343 D349 A350 E688	S342-S346 PolarHBondContact O-N 3.3Å; S342-S346 VanDerWaalsContact O-N 3.1Å; S342-S346 PolarHBondContact O-OG 2.93Å; S343-S346 PolarHBondContact O-N 2.9Å; S346-D349 PolarHBondContact O-N 2.86Å; S346-A350 VanDerWaalsContact O-CB 3.29Å; S346-A350 WeakPolarHBondContact O-CB 3.46Å; S346-A350 PolarHBondContact O-N 3.24Å; S346-E688 WeakPolarHBondContact CB-OE2 3.34Å; S346-E688 PolarHBondContact OG-OE2 2.94Å
347	Y	71.5	Confident	68.4	Low	132 Å²	132	78.6 Å²	78.6	52%	0.518	42%	0.419	S	S	.	.	H	α-helix	trans	-59.9	-49.5	176.2	173.8	-90.7	0	0	0	112.3	S343 V345 D349 A350 E351	S343-Y347 WeakPolarHBondContact O-CB 3.38Å; S343-Y347 PolarHBondContact O-N 3Å; V345-Y347 VanDerWaalsContact C-N 3.35Å; V345-Y347 PolarHBondContact O-N 2.84Å; Y347-D349 VanDerWaalsContact C-N 3.29Å; Y347-D349 PolarHBondContact O-N 3.38Å; Y347-A350 PolarHBondContact O-N 2.9Å; Y347-E351 WeakPolarHBondContact O-CB 3.4Å; Y347-E351 PolarHBondContact O-N 2.95Å
348	R	76	Confident	71	Confident	99 Å²	99	79.7 Å²	79.7	37%	0.374	42%	0.416	S	S	.	.	H	α-helix	trans	-62	-38.5	-178.3	-176.3	-157.9	69.9	165.1	-0	111.5	Y344 V345 G352	Y344-R348 WeakPolarHBondContact O-CB 3.24Å; Y344-R348 PolarHBondContact O-N 3.12Å; V345-R348 PolarHBondContact O-N 3.44Å; R348-G352 PolarHBondContact O-N 3.41Å
349	D	82.4	Confident	73.2	Confident	59 Å²	59	80.9 Å²	80.9	32%	0.316	41%	0.411	S	S	.	.	H	α-helix	trans	-81.1	-32	-175.6	-67.2	0.5	0	0	0	110.9	V345 S346 Y347 G352 L353 I687	V345-D349 WeakPolarHBondContact O-CB 3.4Å; V345-D349 PolarHBondContact O-N 2.93Å; S346-D349 PolarHBondContact O-N 2.86Å; Y347-D349 VanDerWaalsContact C-N 3.29Å; Y347-D349 PolarHBondContact O-N 3.38Å; D349-G352 PolarHBondContact O-N 3.11Å; D349-L353 WeakPolarHBondContact O-CB 3.29Å; D349-L353 PolarHBondContact O-N 2.91Å; D349-I687 HydrophobicContact CB-CD1 4.2Å
350	A	77.5	Confident	75.5	Confident	15 Å²	15	76 Å²	76	12%	0.124	39%	0.39	C	S	.	.	H	α-helix	trans	-64.8	-41.7	166.8	0	0	0	0	0	113	S346 Y347 L353 R354 I687	S346-A350 VanDerWaalsContact O-CB 3.29Å; S346-A350 WeakPolarHBondContact O-CB 3.46Å; S346-A350 PolarHBondContact O-N 3.24Å; Y347-A350 PolarHBondContact O-N 2.9Å; A350-L353 WeakPolarHBondContact O-CB 3.42Å; A350-L353 PolarHBondContact O-N 3.47Å; A350-R354 WeakPolarHBondContact O-CG 3.45Å; A350-R354 PolarHBondContact O-N 3.23Å; A350-I687 HydrophobicContact CB-CG2 3.86Å
351	E	79.5	Confident	78.1	Confident	76 Å²	76	70.3 Å²	70.3	36%	0.355	36%	0.355	S	S	.	.	H	α-helix	trans	-69.6	-37.8	175.6	-179.5	60.3	-172.9	0	0	111.8	Y347 L353 R354 I355	Y347-E351 WeakPolarHBondContact O-CB 3.4Å; Y347-E351 PolarHBondContact O-N 2.95Å; E351-L353 VanDerWaalsContact C-N 3.28Å; E351-L353 PolarHBondContact O-N 3.49Å; E351-R354 PolarHBondContact O-N 2.75Å; E351-R354 WeakPolarHBondContact OE2-CD 3.44Å; E351-I355 HydrophobicContact CG-CD1 4.17Å; E351-I355 WeakPolarHBondContact O-CG1 3.24Å; E351-I355 PolarHBondContact O-N 3.02Å
352	G	86	Confident	80.6	Confident	40 Å²	40	73.6 Å²	73.6	41%	0.412	36%	0.359	S	S	.	.	H	α-helix	trans	-58.3	-40.7	169.6	0	0	0	0	0	112.5	R348 D349 M356	R348-G352 PolarHBondContact O-N 3.41Å; D349-G352 PolarHBondContact O-N 3.11Å; G352-M356 WeakPolarHBondContact O-CB 3.35Å; G352-M356 PolarHBondContact O-N 2.99Å
353	L	86	Confident	82.4	Confident	36 Å²	36	70.3 Å²	70.3	19%	0.188	34%	0.335	C	S	.	.	H	α-helix	trans	-66.7	-44.1	174.5	-170.2	66.7	0	0	0	111.8	D349 A350 E351 I355 M356 M357 T685 I687 C692	D349-L353 WeakPolarHBondContact O-CB 3.29Å; D349-L353 PolarHBondContact O-N 2.91Å; A350-L353 WeakPolarHBondContact O-CB 3.42Å; A350-L353 PolarHBondContact O-N 3.47Å; E351-L353 VanDerWaalsContact C-N 3.28Å; E351-L353 PolarHBondContact O-N 3.49Å; L353-I355 PolarHBondContact O-N 3.09Å; L353-M356 HydrophobicContact CD1-CE 3.76Å; L353-M356 HydrophobicContact CD1-SD 4.33Å; L353-M356 CarbonylContact O-C 3.49Å; L353-M356 WeakPolarHBondContact O-CA 3.18Å; L353-M356 WeakPolarHBondContact O-CB 3.48Å; L353-M356 PolarHBondContact O-N 3.18Å; L353-M356 VanDerWaalsContact O-N 3.08Å; L353-M357 HydrophobicContact CG-SD 4.33Å; L353-M357 WeakPolarHBondContact O-CG 3.27Å; L353-M357 PolarHBondContact O-N 3.34Å; L353-T685 HydrophobicContact CD2-CG2 3.67Å; L353-T685 HydrophobicContact CG-CG2 4.29Å; L353-I687 HydrophobicContact CD2-CB 3.97Å; L353-I687 HydrophobicContact CD2-CD1 4.18Å; L353-I687 HydrophobicContact CD2-CG2 4.08Å; L353-C692 HydrophobicContact CD2-CB 4.42Å
354	R	81.7	Confident	83.4	Confident	114 Å²	114	69.9 Å²	69.9	43%	0.43	32%	0.324	S	S	.	.	H	α-helix	trans	-57.1	-49.8	174.9	-75.5	173.5	172.6	-133.3	-4.5	112.1	A350 E351 M356 M357 E358	A350-R354 WeakPolarHBondContact O-CG 3.45Å; A350-R354 PolarHBondContact O-N 3.23Å; E351-R354 PolarHBondContact O-N 2.75Å; E351-R354 WeakPolarHBondContact OE2-CD 3.44Å; R354-M356 PolarHBondContact O-N 2.94Å; R354-M357 PolarHBondContact O-N 3.22Å; R354-M357 VanDerWaalsContact O-N 3.11Å; R354-E358 PolarHBondContact O-N 3.05Å
355	I	87.2	Confident	84	Confident	57 Å²	57	64.2 Å²	64.2	29%	0.292	31%	0.305	S	S	.	.	H	α-helix	trans	-60.6	-35.4	175.8	-66.6	166.7	0	0	0	111	E351 L353 R359	E351-I355 HydrophobicContact CG-CD1 4.17Å; E351-I355 WeakPolarHBondContact O-CG1 3.24Å; E351-I355 PolarHBondContact O-N 3.02Å; L353-I355 PolarHBondContact O-N 3.09Å; I355-R359 WeakPolarHBondContact O-CB 3.43Å; I355-R359 VanDerWaalsContact O-CD 3.27Å; I355-R359 WeakPolarHBondContact O-CD 3.45Å; I355-R359 WeakPolarHBondContact O-CG 3.44Å; I355-R359 PolarHBondContact O-N 3.09Å
356	M	91.9	Very high	84	Confident	74 Å²	74	62.5 Å²	62.5	37%	0.365	29%	0.294	S	S	.	.	H	α-helix	trans	-69.4	-41.1	174.3	-173.5	-133.4	59	0	0	112.2	G352 L353 R354 N360 W683	G352-M356 WeakPolarHBondContact O-CB 3.35Å; G352-M356 PolarHBondContact O-N 2.99Å; L353-M356 HydrophobicContact CD1-CE 3.76Å; L353-M356 HydrophobicContact CD1-SD 4.33Å; L353-M356 CarbonylContact O-C 3.49Å; L353-M356 WeakPolarHBondContact O-CA 3.18Å; L353-M356 WeakPolarHBondContact O-CB 3.48Å; L353-M356 PolarHBondContact O-N 3.18Å; L353-M356 VanDerWaalsContact O-N 3.08Å; R354-M356 PolarHBondContact O-N 2.94Å; M356-N360 WeakPolarHBondContact O-CB 3.41Å; M356-N360 PolarHBondContact O-N 2.83Å; M356-N360 PolarHBondContact O-ND2 2.74Å; M356-W683 HydrophobicContact CE-CH2 3.53Å; M356-W683 HydrophobicContact CE-CZ2 4.01Å; M356-W683 HydrophobicContact CE-CZ3 4.37Å
357	M	92.1	Very high	83.8	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-65.9	-49.2	177.5	-67.8	172.4	88.7	0	0	111.3	L353 R354 R359 N360 S361 W683 T685 C692 Q694	L353-M357 HydrophobicContact CG-SD 4.33Å; L353-M357 WeakPolarHBondContact O-CG 3.27Å; L353-M357 PolarHBondContact O-N 3.34Å; R354-M357 PolarHBondContact O-N 3.22Å; R354-M357 VanDerWaalsContact O-N 3.11Å; M357-R359 VanDerWaalsContact C-N 3.31Å; M357-R359 PolarHBondContact O-N 3.19Å; M357-N360 CarbonylContact O-C 3.46Å; M357-N360 WeakPolarHBondContact O-CA 3.31Å; M357-N360 PolarHBondContact O-N 2.7Å; M357-S361 WeakPolarHBondContact O-CB 3.13Å; M357-S361 PolarHBondContact O-N 3.17Å; M357-W683 HydrophobicContact CB-CE3 4.06Å; M357-W683 HydrophobicContact CB-CZ3 4.04Å; M357-W683 HydrophobicContact CE-CB 4.21Å; M357-W683 HydrophobicContact CE-CD2 3.69Å; M357-W683 HydrophobicContact CE-CE3 4.26Å; M357-W683 HydrophobicContact CE-CG 3.65Å; M357-W683 VanDerWaalsContact CE-O 3.29Å; M357-W683 WeakPolarHBondContact CE-O 3.44Å; M357-W683 HydrophobicContact CG-CD2 4.24Å; M357-W683 HydrophobicContact CG-CE3 4.05Å; M357-W683 HydrophobicContact CG-CH2 4.11Å; M357-W683 HydrophobicContact CG-CZ2 4.25Å; M357-W683 HydrophobicContact CG-CZ3 3.99Å; M357-T685 HydrophobicContact CE-CG2 3.6Å; M357-T685 HydrophobicContact SD-CG2 3.59Å; M357-T685 VanDerWaalsContact SD-CG2 3.59Å; M357-C692 HydrophobicContact SD-CB 3.88Å; M357-Q694 HydrophobicContact CB-CB 3.79Å; M357-Q694 HydrophobicContact CB-CG 4Å; M357-Q694 HydrophobicContact CE-CB 3.96Å; M357-Q694 HydrophobicContact SD-CB 4.47Å
358	E	90.3	Very high	82.9	Confident	116 Å²	116	61 Å²	61	54%	0.542	29%	0.293	S	S	.	.	H	α-helix	trans	-53.5	-49.3	177.3	-171.5	-158.4	-164.3	0	0	110.6	R354 N360 S361	R354-E358 PolarHBondContact O-N 3.05Å; E358-N360 PolarHBondContact O-N 2.84Å; E358-N360 VanDerWaalsContact O-N 3.07Å; E358-S361 PolarHBondContact O-N 3.2Å; E358-S361 PolarHBondContact O-OG 2.97Å
359	R	90.1	Very high	81.8	Confident	171 Å²	171	56.6 Å²	56.6	65%	0.645	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-12.5	177.4	-71.6	171.9	-177.9	177.6	2.6	114.3	I355 M357 K818	I355-R359 WeakPolarHBondContact O-CB 3.43Å; I355-R359 VanDerWaalsContact O-CD 3.27Å; I355-R359 WeakPolarHBondContact O-CD 3.45Å; I355-R359 WeakPolarHBondContact O-CG 3.44Å; I355-R359 PolarHBondContact O-N 3.09Å; M357-R359 VanDerWaalsContact C-N 3.31Å; M357-R359 PolarHBondContact O-N 3.19Å; R359-K818 WeakPolarHBondContact O-CE 3.15Å; R359-K818 PolarHBondContact O-NZ 2.94Å
360	N	90.4	Very high	80.2	Confident	38 Å²	38	61.5 Å²	61.5	20%	0.203	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	3.5	-175.8	-76.9	-45.6	0	0	0	113.5	M356 M357 E358 R670 W683 K818	M356-N360 WeakPolarHBondContact O-CB 3.41Å; M356-N360 PolarHBondContact O-N 2.83Å; M356-N360 PolarHBondContact O-ND2 2.74Å; M357-N360 CarbonylContact O-C 3.46Å; M357-N360 WeakPolarHBondContact O-CA 3.31Å; M357-N360 PolarHBondContact O-N 2.7Å; E358-N360 PolarHBondContact O-N 2.84Å; E358-N360 VanDerWaalsContact O-N 3.07Å; N360-R670 PolarHBondContact O-NH1 3.39Å; N360-W683 HydrophobicContact CB-CH2 4.33Å; N360-W683 HydrophobicContact CB-CZ3 3.77Å; N360-K818 VanDerWaalsContact OD1-CD 3.31Å; N360-K818 WeakPolarHBondContact OD1-CD 3.43Å; N360-K818 VanDerWaalsContact OD1-CE 3.31Å; N360-K818 WeakPolarHBondContact OD1-CE 3.23Å; N360-K818 PolarHBondContact OD1-NZ 3.36Å
361	S	91.6	Very high	78.9	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.007	31%	0.311	C	S	.	.			trans	-82.5	-6.6	-176.6	64.5	0	0	0	0	114.8	M357 E358 F363 R695 L696 Y697	M357-S361 WeakPolarHBondContact O-CB 3.13Å; M357-S361 PolarHBondContact O-N 3.17Å; E358-S361 PolarHBondContact O-N 3.2Å; E358-S361 PolarHBondContact O-OG 2.97Å; S361-F363 WeakPolarHBondContact O-CD2 3.38Å; S361-R695 WeakPolarHBondContact CB-O 3.48Å; S361-L696 WeakPolarHBondContact O-CA 3.4Å; S361-Y697 PolarHBondContact O-N 2.92Å; S361-Y697 WeakPolarHBondContact OG-CD2 3.44Å
362	K	92.1	Very high	77.6	Confident	123 Å²	123	61.4 Å²	61.4	54%	0.535	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-81.6	122	178.1	-67.4	-174.1	179	-177.5	0	111.1	Q817	K362-Q817 HydrophobicContact CB-CB 4.24Å; K362-Q817 VanDerWaalsContact O-CB 3.22Å; K362-Q817 WeakPolarHBondContact O-CB 3.35Å; K362-Q817 PolarHBondContact O-N 2.98Å
363	F	90.9	Very high	76.1	Confident	10 Å²	10	59.7 Å²	59.7	4%	0.044	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138.3	179.2	-82.1	-119.8	0	0	0	109.6	S361 L696 Y697 I803 I814 Y815 P816	S361-F363 WeakPolarHBondContact O-CD2 3.38Å; F363-L696 HydrophobicContact CD2-CB 4.48Å; F363-L696 HydrophobicContact CD2-CD1 4.15Å; F363-L696 HydrophobicContact CD2-CD2 4.07Å; F363-L696 HydrophobicContact CD2-CG 4.48Å; F363-L696 HydrophobicContact CE1-CD1 4.34Å; F363-L696 HydrophobicContact CE2-CD1 3.86Å; F363-L696 HydrophobicContact CE2-CD2 3.62Å; F363-L696 HydrophobicContact CE2-CG 4.28Å; F363-L696 HydrophobicContact CZ-CD1 3.96Å; F363-L696 HydrophobicContact CZ-CD2 4.36Å; F363-Y697 PolarHBondContact N-O 3.13Å; F363-I803 HydrophobicContact CD1-CD1 4.45Å; F363-I803 HydrophobicContact CE1-CD1 3.78Å; F363-I803 HydrophobicContact CE1-CG1 4.42Å; F363-I803 HydrophobicContact CZ-CD1 4.33Å; F363-I814 HydrophobicContact CB-CB 4.31Å; F363-I814 HydrophobicContact CB-CD1 4.44Å; F363-I814 HydrophobicContact CD1-CB 4.18Å; F363-I814 HydrophobicContact CD1-CD1 4.01Å; F363-I814 HydrophobicContact CD1-CG1 3.88Å; F363-I814 HydrophobicContact CG-CD1 4.43Å; F363-Y815 CarbonylContact C-O 3.48Å; F363-Y815 VanDerWaalsContact CA-O 3.23Å; F363-Y815 WeakPolarHBondContact CA-O 3.47Å; F363-Y815 VanDerWaalsContact CD1-C 3.42Å; F363-P816 HydrophobicContact CE1-CG 3.85Å; F363-P816 HydrophobicContact CE2-CG 4.45Å; F363-P816 HydrophobicContact CZ-CB 4.38Å; F363-P816 HydrophobicContact CZ-CG 3.81Å
364	H	84.3	Confident	74.6	Confident	75 Å²	75	58 Å²	58	35%	0.347	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	145	167.7	-80.9	-55.8	0	0	0	109.6	I814 Y815 Q817	H364-I814 CarbonylContact O-C 3.53Å; H364-I814 VanDerWaalsContact O-CA 3.24Å; H364-I814 WeakPolarHBondContact O-CA 3.48Å; H364-Y815 HydrophobicContact CB-CD1 4.35Å; H364-Y815 HydrophobicContact CB-CD2 4.25Å; H364-Y815 HydrophobicContact CB-CE1 3.77Å; H364-Y815 HydrophobicContact CB-CE2 3.67Å; H364-Y815 VanDerWaalsContact CB-CZ 3.4Å; H364-Y815 PolarHBondContact N-O 3.2Å; H364-Y815 WeakPolarHBondContact O-CD1 3.07Å; H364-Y815 PolarHBondContact O-N 3.2Å; H364-Q817 PolarHBondContact CE1-NE2 2.87Å; H364-Q817 PolarHBondContact NE2-NE2 2.71Å
365	V	81.1	Confident	73.2	Confident	37 Å²	37	55.5 Å²	55.5	22%	0.224	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	122	173.4	179.5	0	0	0	0	108.2	N699 I700 T812 I814	V365-N699 WeakPolarHBondContact CG2-O 3.01Å; V365-I700 HydrophobicContact CB-CG1 4.38Å; V365-I700 HydrophobicContact CG1-CG1 3.86Å; V365-I700 HydrophobicContact CG2-CG1 3.56Å; V365-T812 HydrophobicContact CG1-CG2 4.07Å; V365-I814 HydrophobicContact CG2-CG2 4Å
366	L	73.2	Confident	71.6	Confident	10 Å²	10	57.8 Å²	57.8	5%	0.052	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	122.2	162.9	-148.5	75.3	0	0	0	107.6	F427 L799 V813 Y815	L366-F427 HydrophobicContact CD1-CD2 3.66Å; L366-F427 HydrophobicContact CD1-CE2 4.02Å; L366-F427 HydrophobicContact CD1-CG 4.46Å; L366-F427 HydrophobicContact CD2-CB 4.34Å; L366-F427 HydrophobicContact CD2-CD1 4.16Å; L366-F427 HydrophobicContact CD2-CD2 3.55Å; L366-F427 HydrophobicContact CD2-CE1 4.29Å; L366-F427 HydrophobicContact CD2-CE2 3.65Å; L366-F427 HydrophobicContact CD2-CG 3.78Å; L366-F427 HydrophobicContact CD2-CZ 4.03Å; L366-F427 HydrophobicContact CG-CB 4.28Å; L366-F427 HydrophobicContact CG-CD2 3.82Å; L366-F427 HydrophobicContact CG-CE2 4.3Å; L366-F427 HydrophobicContact CG-CG 4.15Å; L366-L799 HydrophobicContact CD1-CD2 4.23Å; L366-V813 WeakPolarHBondContact CA-O 3.47Å; L366-V813 HydrophobicContact CB-CB 3.81Å; L366-V813 WeakPolarHBondContact CB-O 3.44Å; L366-V813 HydrophobicContact CD2-CB 3.7Å; L366-V813 HydrophobicContact CD2-CG1 4.36Å; L366-V813 HydrophobicContact CD2-CG2 3.87Å; L366-V813 HydrophobicContact CG-CB 4.45Å; L366-V813 PolarHBondContact N-O 2.94Å; L366-Y815 HydrophobicContact CB-CD1 4.37Å; L366-Y815 HydrophobicContact CB-CE1 4.17Å; L366-Y815 HydrophobicContact CD1-CD1 4.15Å; L366-Y815 HydrophobicContact CD1-CE1 3.61Å
367	T	63.3	Low	69.2	Low	69 Å²	69	61 Å²	61	42%	0.423	30%	0.295	S	S	.	.			trans	-6.8	116.9	171.9	19.5	0	0	0	0	116.9	G369 F427	T367-G369 PolarHBondContact O-N 3.1Å; T367-G369 VanDerWaalsContact O-N 3.09Å; T367-F427 VanDerWaalsContact CB-O 3.32Å; T367-F427 WeakPolarHBondContact CB-O 3.35Å; T367-F427 WeakPolarHBondContact CG2-O 3Å; T367-F427 PolarHBondContact OG1-O 3.01Å
368	K	52.8	Low	67.2	Low	61 Å²	61	64.7 Å²	64.7	27%	0.265	33%	0.333	S	S	.	.			trans	-62.6	109.3	171.8	180	177	-178.3	175.2	0	110.1	K370 S702 T812	K368-K370 PolarHBondContact O-N 3.23Å; K368-S702 PolarHBondContact NZ-OG 3.48Å; K368-T812 HydrophobicContact CB-CG2 4.01Å; K368-T812 HydrophobicContact CG-CG2 4.4Å
369	G	52.5	Low	65.4	Low	6 Å²	6	61.7 Å²	61.7	6%	0.062	32%	0.319	C	S	.	.			trans	-61	116.5	159.7	0	0	0	0	0	108.3	T367 C372	T367-G369 PolarHBondContact O-N 3.1Å; T367-G369 VanDerWaalsContact O-N 3.09Å; G369-C372 PolarHBondContact O-SG 2.85Å
370	K	49.3	Very low	63.7	Low	162 Å²	162	58.7 Å²	58.7	70%	0.704	31%	0.314	S	S	*	.	S	Bend	trans	-68.3	-32.7	170.2	-70.8	179	179.4	174.2	0	110.3	K368 C372	K368-K370 PolarHBondContact O-N 3.23Å; K370-C372 PolarHBondContact O-N 2.8Å
371	D	49.9	Very low	62.2	Low	79 Å²	79	59.4 Å²	59.4	42%	0.422	32%	0.315	S	S	.	.			trans	-103.5	66.6	-172.8	-43.1	-72.1	0	0	0	109.8	Q418 L429 H431	D371-Q418 PolarHBondContact O-NE2 3.23Å; D371-L429 HydrophobicContact CB-CD2 4.39Å; D371-H431 IonicContact OD2-CE1 3.68Å
372	C	52.9	Low	60.6	Low	9 Å²	9	66 Å²	66	6%	0.061	35%	0.345	C	S	.	.			trans	-104.8	123.5	171	-53.9	0	0	0	0	108.9	G369 K370 I374 R401 C811	G369-C372 PolarHBondContact O-SG 2.85Å; K370-C372 PolarHBondContact O-N 2.8Å; C372-I374 PolarHBondContact O-N 2.85Å; C372-R401 PolarHBondContact SG-NH2 3.38Å; C372-C811 PolarHBondContact SG-N 2.87Å
373	C	54.5	Low	59	Low	4 Å²	4	60.5 Å²	60.5	3%	0.027	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-48.2	-44.8	-178.9	39	0	0	0	0	115.6	M375 R376 W416 L438	C373-M375 PolarHBondContact O-N 2.96Å; C373-R376 PolarHBondContact O-N 2.88Å; C373-W416 HydrophobicContact CB-CB 4.46Å; C373-W416 HydrophobicContact CB-CD2 3.31Å; C373-W416 HydrophobicContact CB-CE3 3.32Å; C373-W416 HydrophobicContact CB-CG 3.86Å; C373-W416 HydrophobicContact CB-CH2 3.86Å; C373-W416 HydrophobicContact CB-CZ2 3.88Å; C373-W416 HydrophobicContact CB-CZ3 3.61Å; C373-W416 VanDerWaalsContact SG-CB 3.51Å; C373-W416 VanDerWaalsContact SG-CD2 3.53Å; C373-L438 HydrophobicContact CB-CD2 3.92Å
374	I	54.9	Low	58.1	Low	1 Å²	1	61 Å²	61	1%	0.005	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-44.6	-31.7	-171.4	-76.8	154.6	0	0	0	116.4	C372 P383 T403 T405 A806 C811	C372-I374 PolarHBondContact O-N 2.85Å; I374-P383 HydrophobicContact CD1-CB 3.72Å; I374-P383 HydrophobicContact CG1-CB 4.02Å; I374-P383 HydrophobicContact CG2-CB 3.92Å; I374-P383 HydrophobicContact CG2-CG 3.86Å; I374-T403 HydrophobicContact CD1-CG2 3.4Å; I374-T403 VanDerWaalsContact CD1-CG2 3.4Å; I374-T403 HydrophobicContact CG1-CG2 3.67Å; I374-T405 HydrophobicContact CG1-CG2 3.74Å; I374-A806 HydrophobicContact CD1-CB 4.48Å; I374-C811 WeakPolarHBondContact CD1-SG 3.46Å
375	M	52.6	Low	57.7	Low	62 Å²	62	57.7 Å²	57.7	31%	0.305	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-138	53.2	-178.2	-71.6	-91.5	87.7	0	0	112	C373	C373-M375 PolarHBondContact O-N 2.96Å
376	R	53.6	Low	57.6	Low	105 Å²	105	56.2 Å²	56.2	40%	0.396	30%	0.301	S	S	.	.			trans	-63.1	141.1	163.6	-77.3	174	174	163.3	2.8	109.9	C373 G378 E379	C373-R376 PolarHBondContact O-N 2.88Å; R376-G378 PolarHBondContact O-N 2.93Å; R376-E379 HydrophobicContact CB-CB 4.29Å; R376-E379 HydrophobicContact CB-CG 4.15Å; R376-E379 WeakPolarHBondContact CD-OE1 3.36Å; R376-E379 WeakPolarHBondContact CD-OE2 3.23Å; R376-E379 IonicContact NH1-OE1 2.7Å; R376-E379 PolarHBondContact NH1-OE1 3.28Å; R376-E379 PolarHBondContact O-N 3.41Å
377	P	41.4	Very low	58	Low	142 Å²	142	56.7 Å²	56.7	92%	0.922	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	108.6	-179.5	-24.9	35	0	0	0	112.5
378	G	48.7	Very low	58.5	Low	77 Å²	77	53.8 Å²	53.8	79%	0.794	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.6	-20.2	-177.8	0	0	0	0	0	114.4	R376	R376-G378 PolarHBondContact O-N 2.93Å
379	E	53.7	Low	59.2	Low	53 Å²	53	53.3 Å²	53.3	25%	0.248	28%	0.283	C	S	.	.			trans	-86.9	132.7	176	-69.1	174	-158.3	0	0	110.3	R376 Y381	R376-E379 HydrophobicContact CB-CB 4.29Å; R376-E379 HydrophobicContact CB-CG 4.15Å; R376-E379 WeakPolarHBondContact CD-OE1 3.36Å; R376-E379 WeakPolarHBondContact CD-OE2 3.23Å; R376-E379 IonicContact NH1-OE1 2.7Å; R376-E379 PolarHBondContact NH1-OE1 3.28Å; R376-E379 PolarHBondContact O-N 3.41Å; E379-Y381 HydrophobicContact CB-CD2 3.91Å; E379-Y381 HydrophobicContact CB-CE2 3.74Å; E379-Y381 HydrophobicContact CG-CE2 3.92Å
380	I	54.6	Low	59.7	Low	108 Å²	108	54.1 Å²	54.1	55%	0.554	29%	0.286	S	S	*	.			trans	-118.5	77.4	-179	-47.6	176.4	0	0	0	109.2	L408	I380-L408 HydrophobicContact CB-CD1 4.4Å; I380-L408 HydrophobicContact CB-CD2 3.91Å; I380-L408 HydrophobicContact CB-CG 4.24Å; I380-L408 HydrophobicContact CG2-CD2 3.72Å
381	Y	58.1	Low	60	Low	54 Å²	54	48.5 Å²	48.5	21%	0.212	26%	0.264	C	S	.	.			trans	-115	134.2	176.5	-56.4	-50.7	0	0	0	109.8	E379 T406 N407 L414 W416	E379-Y381 HydrophobicContact CB-CD2 3.91Å; E379-Y381 HydrophobicContact CB-CE2 3.74Å; E379-Y381 HydrophobicContact CG-CE2 3.92Å; Y381-T406 WeakPolarHBondContact CD1-O 3.49Å; Y381-N407 HydrophobicContact CE1-CB 4.38Å; Y381-L414 HydrophobicContact CD1-CD2 4.4Å; Y381-L414 HydrophobicContact CE1-CD2 4Å; Y381-L414 HydrophobicContact CE2-CD2 4.2Å; Y381-W416 HydrophobicContact CD2-CZ2 4.45Å; Y381-W416 HydrophobicContact CE2-CZ2 4.35Å
382	Q	58.7	Low	60.2	Low	138 Å²	138	50.1 Å²	50.1	65%	0.645	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	130.8	171.7	-64.8	-159.8	21.7	0	0	109.8	I384 M711	Q382-I384 PolarHBondContact O-N 3.49Å; Q382-M711 HydrophobicContact CG-CE 4.32Å
383	P	58.9	Low	59.9	Low	8 Å²	8	57.8 Å²	57.8	5%	0.052	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	121.1	173.6	30.5	-32	0	0	0	109.7	I374 M711 A712 A806	I374-P383 HydrophobicContact CD1-CB 3.72Å; I374-P383 HydrophobicContact CG1-CB 4.02Å; I374-P383 HydrophobicContact CG2-CB 3.92Å; I374-P383 HydrophobicContact CG2-CG 3.86Å; P383-M711 HydrophobicContact CG-CB 3.99Å; P383-M711 HydrophobicContact CG-CE 4.48Å; P383-M711 HydrophobicContact CG-SD 4.3Å; P383-A712 WeakPolarHBondContact O-CB 3.15Å; P383-A806 HydrophobicContact CB-CB 3.38Å; P383-A806 HydrophobicContact CG-CB 3.38Å
384	I	70.9	Confident	59.6	Low	22 Å²	22	61.4 Å²	61.4	11%	0.113	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-46	179.4	-46	179.5	0	0	0	109.8	Q382 L404 T406 Y457 L458 Q714	Q382-I384 PolarHBondContact O-N 3.49Å; I384-L404 PolarHBondContact N-O 2.79Å; I384-T406 HydrophobicContact CD1-CG2 3.63Å; I384-Y457 HydrophobicContact CG2-CD2 4.32Å; I384-L458 HydrophobicContact CB-CD1 3.69Å; I384-L458 HydrophobicContact CB-CG 4.09Å; I384-L458 HydrophobicContact CD1-CG 4.46Å; I384-L458 HydrophobicContact CG2-CD1 3.69Å; I384-L458 HydrophobicContact CG2-CG 3.81Å; I384-Q714 PolarHBondContact O-NE2 3.3Å
385	D	75.1	Confident	59.1	Low	5 Å²	5	69.7 Å²	69.7	3%	0.027	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	158.2	179.2	-167	16.3	0	0	0	113.3	L404 L458 R459 F460 Q714	D385-L404 HydrophobicContact CB-CB 4.49Å; D385-L404 PolarHBondContact N-O 2.9Å; D385-L404 PolarHBondContact O-N 3.33Å; D385-L458 HydrophobicContact CB-CD1 3.31Å; D385-R459 VanDerWaalsContact OD2-C 3.27Å; D385-R459 WeakPolarHBondContact OD2-CA 3.21Å; D385-F460 WeakPolarHBondContact OD2-CD2 3.29Å; D385-F460 PolarHBondContact OD2-N 2.83Å; D385-Q714 WeakPolarHBondContact OD1-CG 3.26Å; D385-Q714 PolarHBondContact OD1-NE2 3.07Å; D385-Q714 VanDerWaalsContact OD1-NE2 3.11Å
386	M	80	Confident	59	Low	5 Å²	5	71.9 Å²	71.9	3%	0.025	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	138.2	-178	-55	160.4	-81.8	0	0	108.9	F402 Q714 M804 A806 C811	M386-F402 WeakPolarHBondContact CA-O 3.49Å; M386-Q714 HydrophobicContact CE-CB 4.12Å; M386-Q714 HydrophobicContact CE-CG 3.83Å; M386-M804 HydrophobicContact CB-CB 4.23Å; M386-M804 HydrophobicContact CB-CE 3.66Å; M386-M804 HydrophobicContact CB-SD 3.85Å; M386-M804 HydrophobicContact CE-CB 3.87Å; M386-M804 WeakPolarHBondContact CE-O 3.36Å; M386-M804 HydrophobicContact SD-CB 3.87Å; M386-A806 HydrophobicContact CE-CB 3.87Å; M386-A806 HydrophobicContact SD-CB 3.71Å; M386-C811 HydrophobicContact SD-CB 4.31Å; M386-C811 PolarHBondContact SD-SG 3.34Å
387	K	80.8	Confident	59	Low	21 Å²	21	69.4 Å²	69.4	9%	0.091	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	151.5	175.6	178.7	160.4	177.6	148.5	0	111.8	M389 R401 F402 F460 G462 D719	K387-M389 HydrophobicContact CD-CG 4.14Å; K387-M389 HydrophobicContact CD-SD 4.48Å; K387-M389 HydrophobicContact CG-CG 4.07Å; K387-R401 WeakPolarHBondContact O-CA 3.38Å; K387-F402 PolarHBondContact N-O 2.89Å; K387-F402 PolarHBondContact O-N 3Å; K387-F460 HydrophobicContact CB-CB 4.24Å; K387-F460 HydrophobicContact CB-CD2 3.44Å; K387-F460 VanDerWaalsContact CB-CD2 3.44Å; K387-F460 HydrophobicContact CB-CE2 3.81Å; K387-F460 HydrophobicContact CB-CG 3.87Å; K387-F460 HydrophobicContact CD-CB 3.48Å; K387-F460 VanDerWaalsContact CD-CB 3.48Å; K387-F460 HydrophobicContact CD-CD1 4.09Å; K387-F460 HydrophobicContact CD-CD2 4.2Å; K387-F460 HydrophobicContact CD-CG 3.71Å; K387-F460 HydrophobicContact CG-CB 4.46Å; K387-F460 HydrophobicContact CG-CD2 4.45Å; K387-F460 HydrophobicContact CG-CG 4.42Å; K387-G462 WeakPolarHBondContact CE-O 3.27Å; K387-G462 PolarHBondContact NZ-O 2.76Å; K387-D719 WeakPolarHBondContact CE-OD2 3.14Å; K387-D719 IonicContact NZ-OD1 3.85Å; K387-D719 PolarHBondContact NZ-OD1 3.26Å; K387-D719 IonicContact NZ-OD2 2.75Å; K387-D719 PolarHBondContact NZ-OD2 2.82Å
388	L	73.9	Confident	60.1	Low	7 Å²	7	63.2 Å²	63.2	4%	0.037	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.3	162.9	-64.9	169.8	0	0	0	107.8	I399 H400 R401 L420 V716 I796 L799 M804 V813	L388-I399 HydrophobicContact CB-CG2 4.19Å; L388-I399 HydrophobicContact CD2-CG2 4.01Å; L388-H400 WeakPolarHBondContact CA-O 3.39Å; L388-R401 HydrophobicContact CD2-CB 4Å; L388-R401 HydrophobicContact CD2-CG 4.38Å; L388-L420 HydrophobicContact CD2-CD1 4.03Å; L388-V716 HydrophobicContact CD1-CG1 4.42Å; L388-I796 HydrophobicContact CB-CD1 4.47Å; L388-L799 HydrophobicContact CD1-CD1 4.25Å; L388-M804 HydrophobicContact CD1-SD 4.43Å; L388-M804 HydrophobicContact CD2-CE 4.03Å; L388-M804 HydrophobicContact CG-CE 3.84Å; L388-M804 HydrophobicContact CG-SD 3.92Å; L388-V813 HydrophobicContact CD1-CG2 4.35Å
389	M	68.2	Low	61.1	Low	51 Å²	51	59.6 Å²	59.6	25%	0.251	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	143.3	168.8	-69.6	173.3	65.8	0	0	108.5	K387 I399 H400 F402	K387-M389 HydrophobicContact CD-CG 4.14Å; K387-M389 HydrophobicContact CD-SD 4.48Å; K387-M389 HydrophobicContact CG-CG 4.07Å; M389-I399 CarbonylContact O-C 3.57Å; M389-I399 WeakPolarHBondContact O-CA 3.49Å; M389-H400 PolarHBondContact N-O 3.06Å; M389-H400 PolarHBondContact O-N 2.83Å; M389-F402 HydrophobicContact CB-CD2 4.21Å; M389-F402 HydrophobicContact CB-CE2 4.01Å; M389-F402 HydrophobicContact CG-CD2 4.09Å; M389-F402 HydrophobicContact CG-CE2 4.19Å; M389-F402 HydrophobicContact SD-CD2 3.71Å; M389-F402 HydrophobicContact SD-CE2 3.61Å
390	I	62.4	Low	62.1	Low	23 Å²	23	58.2 Å²	58.2	12%	0.118	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	126.9	165.6	-47.4	-179.8	0	0	0	106	H392 C397 I399 I796	I390-H392 PolarHBondContact O-CD2 2.96Å; I390-H392 VanDerWaalsContact O-CD2 3.31Å; I390-C397 HydrophobicContact CG2-CB 4.21Å; I390-I399 HydrophobicContact CG1-CG1 4.32Å; I390-I796 HydrophobicContact CD1-CB 4.47Å; I390-I796 HydrophobicContact CD1-CD1 3.86Å; I390-I796 HydrophobicContact CD1-CG1 3.96Å; I390-I796 HydrophobicContact CG1-CD1 3.47Å; I390-I796 VanDerWaalsContact CG1-CD1 3.47Å; I390-I796 HydrophobicContact CG1-CG1 4.06Å
391	N	57.1	Low	63.1	Low	45 Å²	45	53.7 Å²	53.7	24%	0.241	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	122.7	158.6	-166.8	-6.5	0	0	0	107.8	E393 N398	N391-E393 PolarHBondContact ND2-OE2 2.88Å; N391-E393 VanDerWaalsContact ND2-OE2 3.12Å; N391-E393 WeakPolarHBondContact OD1-CB 3.34Å; N391-E393 WeakPolarHBondContact OD1-CG 3.3Å; N391-E393 PolarHBondContact OD1-N 3.26Å; N391-E393 PolarHBondContact OD1-OE2 2.82Å; N391-N398 PolarHBondContact N-O 2.86Å
392	H	52.8	Low	64.1	Low	113 Å²	113	51.9 Å²	51.9	52%	0.523	26%	0.263	S	S	.	.	S	Bend	trans	-89.7	-9.1	-179.8	-73.1	-101.1	0	0	0	113.3	I390	I390-H392 PolarHBondContact O-CD2 2.96Å; I390-H392 VanDerWaalsContact O-CD2 3.31Å
393	E	48	Very low	65.1	Low	170 Å²	170	45.5 Å²	45.5	79%	0.794	23%	0.233	S	C	*	.	S	Bend	trans	-75	-29.6	-178.5	-61.5	175.7	138.5	0	0	112.9	N391	N391-E393 PolarHBondContact ND2-OE2 2.88Å; N391-E393 VanDerWaalsContact ND2-OE2 3.12Å; N391-E393 WeakPolarHBondContact OD1-CB 3.34Å; N391-E393 WeakPolarHBondContact OD1-CG 3.3Å; N391-E393 PolarHBondContact OD1-N 3.26Å; N391-E393 PolarHBondContact OD1-OE2 2.82Å
394	D	47.7	Very low	66.2	Low	79 Å²	79	45.1 Å²	45.1	42%	0.422	23%	0.23	S	C	.	.	S	Bend	trans	-82.7	131.3	174.5	-81.5	-48.2	0	0	0	111.9	N396 N398	D394-N396 WeakPolarHBondContact CB-O 3.46Å; D394-N396 CarbonylContact O-C 3.48Å; D394-N396 PolarHBondContact O-N 3.12Å; D394-N398 PolarHBondContact OD2-ND2 2.86Å
395	N	44.3	Very low	66.8	Low	175 Å²	175	44 Å²	44	94%	0.936	23%	0.225	S	C	*	.	S	Bend	trans	-58.5	-18.2	167.9	-82.8	-55.1	0	0	0	113.4
396	N	51.1	Low	67.1	Low	109 Å²	109	44 Å²	44	58%	0.583	23%	0.225	S	C	*	.	S	Bend	trans	-98.3	115.9	164.9	-73.9	-39.8	0	0	0	108.6	D394 N398	D394-N396 WeakPolarHBondContact CB-O 3.46Å; D394-N396 CarbonylContact O-C 3.48Å; D394-N396 PolarHBondContact O-N 3.12Å; N396-N398 VanDerWaalsContact C-N 3.32Å; N396-N398 PolarHBondContact O-N 3.22Å; N396-N398 PolarHBondContact O-ND2 2.89Å
397	C	52.1	Low	67.1	Low	53 Å²	53	45 Å²	45	36%	0.358	23%	0.23	S	C	.	.			trans	-66.4	86.1	-175.1	-47.8	0	0	0	0	112.4	I390 I399 S792	I390-C397 HydrophobicContact CG2-CB 4.21Å; C397-I399 PolarHBondContact O-N 3.49Å; C397-S792 WeakPolarHBondContact SG-CB 3.48Å
398	N	64	Low	67	Low	12 Å²	12	50.1 Å²	50.1	6%	0.064	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	100.8	-175	-79.4	-40.8	0	0	0	109.9	N391 D394 N396 H400 Q419	N391-N398 PolarHBondContact N-O 2.86Å; D394-N398 PolarHBondContact OD2-ND2 2.86Å; N396-N398 VanDerWaalsContact C-N 3.32Å; N396-N398 PolarHBondContact O-N 3.22Å; N396-N398 PolarHBondContact O-ND2 2.89Å; N398-H400 PolarHBondContact O-N 3.17Å; N398-H400 PolarHBondContact O-ND1 3.25Å; N398-H400 VanDerWaalsContact O-ND1 3.1Å; N398-Q419 HydrophobicContact CB-CG 4.4Å; N398-Q419 PolarHBondContact ND2-NE2 3.1Å; N398-Q419 PolarHBondContact OD1-NE2 2.9Å
399	I	70.5	Confident	67.4	Low	0 Å²	0	57 Å²	57	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	113.3	176.5	-56.1	-168.8	0	0	0	108.7	L388 M389 I390 C397 L420 F422 F427 I796	L388-I399 HydrophobicContact CB-CG2 4.19Å; L388-I399 HydrophobicContact CD2-CG2 4.01Å; M389-I399 CarbonylContact O-C 3.57Å; M389-I399 WeakPolarHBondContact O-CA 3.49Å; I390-I399 HydrophobicContact CG1-CG1 4.32Å; C397-I399 PolarHBondContact O-N 3.49Å; I399-L420 WeakPolarHBondContact O-CA 3.48Å; I399-L420 WeakPolarHBondContact O-CB 3.08Å; I399-L420 PolarHBondContact O-N 3.42Å; I399-F422 HydrophobicContact CD1-CD2 3.55Å; I399-F422 HydrophobicContact CD1-CE2 3.72Å; I399-F422 HydrophobicContact CG1-CD2 4.44Å; I399-F427 HydrophobicContact CB-CE1 4.23Å; I399-F427 HydrophobicContact CD1-CE1 3.99Å; I399-F427 HydrophobicContact CD1-CZ 3.81Å; I399-F427 HydrophobicContact CG2-CE1 4.07Å; I399-I796 HydrophobicContact CD1-CD1 4.18Å; I399-I796 HydrophobicContact CD1-CG1 3.87Å
400	H	74.2	Confident	68.2	Low	24 Å²	24	56.4 Å²	56.4	11%	0.111	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	128.2	173.9	-71.6	81.9	0	0	0	109.5	L388 M389 N398 F402	L388-H400 WeakPolarHBondContact CA-O 3.39Å; M389-H400 PolarHBondContact N-O 3.06Å; M389-H400 PolarHBondContact O-N 2.83Å; N398-H400 PolarHBondContact O-N 3.17Å; N398-H400 PolarHBondContact O-ND1 3.25Å; N398-H400 VanDerWaalsContact O-ND1 3.1Å; H400-F402 HydrophobicContact CB-CD2 4.25Å; H400-F402 HydrophobicContact CB-CE2 3.73Å; H400-F402 HydrophobicContact CB-CZ 4.24Å
401	R	76.7	Confident	69.2	Low	14 Å²	14	56.6 Å²	56.6	5%	0.053	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	119.9	162.5	-179.9	169.3	68.1	178.6	7.1	108.5	C372 K387 L388 Q418 L420 M804 C811	C372-R401 PolarHBondContact SG-NH2 3.38Å; K387-R401 WeakPolarHBondContact O-CA 3.38Å; L388-R401 HydrophobicContact CD2-CB 4Å; L388-R401 HydrophobicContact CD2-CG 4.38Å; R401-Q418 PolarHBondContact N-O 3.23Å; R401-Q418 PolarHBondContact O-N 3Å; R401-L420 HydrophobicContact CB-CD1 3.9Å; R401-L420 HydrophobicContact CB-CG 4.3Å; R401-M804 HydrophobicContact CG-CE 3.98Å; R401-C811 PolarHBondContact NH1-O 3.24Å
402	F	79.6	Confident	70.6	Confident	16 Å²	16	56.8 Å²	56.8	7%	0.07	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	143	166.4	-68.5	-80.4	0	0	0	109.5	M386 K387 M389 H400 L415 W416 K417 F460 I503	M386-F402 WeakPolarHBondContact CA-O 3.49Å; K387-F402 PolarHBondContact N-O 2.89Å; K387-F402 PolarHBondContact O-N 3Å; M389-F402 HydrophobicContact CB-CD2 4.21Å; M389-F402 HydrophobicContact CB-CE2 4.01Å; M389-F402 HydrophobicContact CG-CD2 4.09Å; M389-F402 HydrophobicContact CG-CE2 4.19Å; M389-F402 HydrophobicContact SD-CD2 3.71Å; M389-F402 HydrophobicContact SD-CE2 3.61Å; H400-F402 HydrophobicContact CB-CD2 4.25Å; H400-F402 HydrophobicContact CB-CE2 3.73Å; H400-F402 HydrophobicContact CB-CZ 4.24Å; F402-L415 HydrophobicContact CB-CD1 4.24Å; F402-L415 HydrophobicContact CD1-CD1 3.93Å; F402-L415 HydrophobicContact CD1-CD2 4.21Å; F402-L415 HydrophobicContact CD1-CG 4.3Å; F402-L415 HydrophobicContact CE1-CD2 4.42Å; F402-W416 WeakPolarHBondContact CA-O 3.42Å; F402-K417 HydrophobicContact CD1-CB 4.05Å; F402-K417 HydrophobicContact CD1-CG 4.32Å; F402-K417 HydrophobicContact CE1-CB 3.73Å; F402-K417 HydrophobicContact CE1-CD 3.87Å; F402-K417 HydrophobicContact CE1-CG 3.61Å; F402-K417 HydrophobicContact CZ-CD 4.15Å; F402-K417 HydrophobicContact CZ-CG 4Å; F402-F460 HydrophobicContact CB-CE2 4.32Å; F402-F460 HydrophobicContact CB-CZ 3.94Å; F402-I503 HydrophobicContact CD1-CD1 4.49Å
403	T	79.7	Confident	72.3	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	128.8	179.8	-77.3	0	0	0	0	108.6	I374 T405 L415 W416	I374-T403 HydrophobicContact CD1-CG2 3.4Å; I374-T403 VanDerWaalsContact CD1-CG2 3.4Å; I374-T403 HydrophobicContact CG1-CG2 3.67Å; T403-T405 HydrophobicContact CG2-CG2 4.22Å; T403-L415 WeakPolarHBondContact O-CA 3.42Å; T403-W416 PolarHBondContact N-O 2.95Å; T403-W416 PolarHBondContact O-N 2.96Å
404	L	82.3	Confident	74.1	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.4	174.7	-70.2	173.6	0	0	0	110.6	I384 D385 L413 L415 L458 F460 I465	I384-L404 PolarHBondContact N-O 2.79Å; D385-L404 HydrophobicContact CB-CB 4.49Å; D385-L404 PolarHBondContact N-O 2.9Å; D385-L404 PolarHBondContact O-N 3.33Å; L404-L413 HydrophobicContact CD2-CD1 3.99Å; L404-L413 HydrophobicContact CD2-CD2 4.16Å; L404-L413 HydrophobicContact CD2-CG 4.11Å; L404-L415 HydrophobicContact CD2-CB 3.96Å; L404-L415 HydrophobicContact CD2-CD1 3.51Å; L404-L415 HydrophobicContact CD2-CG 4.36Å; L404-L415 HydrophobicContact CG-CD1 4.12Å; L404-L458 HydrophobicContact CB-CD1 3.75Å; L404-L458 HydrophobicContact CB-CD2 4.25Å; L404-L458 HydrophobicContact CD1-CD1 3.88Å; L404-L458 HydrophobicContact CD1-CD2 4.2Å; L404-L458 HydrophobicContact CG-CD1 4.48Å; L404-F460 HydrophobicContact CD1-CD2 4.13Å; L404-F460 HydrophobicContact CD1-CE1 4.07Å; L404-F460 HydrophobicContact CD1-CE2 3.52Å; L404-F460 HydrophobicContact CD1-CZ 3.49Å; L404-F460 VanDerWaalsContact CD1-CZ 3.49Å; L404-F460 HydrophobicContact CD2-CZ 4.33Å; L404-F460 HydrophobicContact CG-CE2 3.69Å; L404-F460 HydrophobicContact CG-CZ 3.62Å; L404-I465 HydrophobicContact CD1-CD1 3.93Å; L404-I465 HydrophobicContact CD1-CG1 4.02Å; L404-I465 HydrophobicContact CD1-CG2 3.73Å; L404-I465 HydrophobicContact CD2-CD1 4.09Å
405	T	82	Confident	75.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	157.5	177.1	45.3	0	0	0	0	108.6	I374 T403 L414 W416	I374-T405 HydrophobicContact CG1-CG2 3.74Å; T403-T405 HydrophobicContact CG2-CG2 4.22Å; T405-L414 PolarHBondContact N-O 3.17Å; T405-L414 WeakPolarHBondContact O-CA 3.29Å; T405-L414 WeakPolarHBondContact O-CB 3.14Å; T405-L414 PolarHBondContact O-N 3.49Å; T405-L414 WeakPolarHBondContact OG1-CB 3.46Å; T405-L414 PolarHBondContact OG1-O 3.1Å; T405-W416 PolarHBondContact OG1-NE1 3Å
406	T	81.6	Confident	77.6	Confident	5 Å²	5	31.7 Å²	31.7	3%	0.031	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	161.3	166.7	56.2	0	0	0	0	110.7	Y381 I384 C410 E412 I455	Y381-T406 WeakPolarHBondContact CD1-O 3.49Å; I384-T406 HydrophobicContact CD1-CG2 3.63Å; T406-C410 PolarHBondContact OG1-SG 3.22Å; T406-E412 WeakPolarHBondContact CA-O 3.36Å; T406-I455 HydrophobicContact CG2-CB 3.9Å; T406-I455 HydrophobicContact CG2-CD1 4.08Å; T406-I455 HydrophobicContact CG2-CG2 3.85Å
407	N	80.9	Confident	78.9	Confident	25 Å²	25	28 Å²	28	13%	0.134	14%	0.142	C	C	.	.			trans	-70	176.3	169.9	78.5	14.4	0	0	0	111.8	Y381 K409 C410 D411 E412 L414	Y381-N407 HydrophobicContact CE1-CB 4.38Å; N407-K409 PolarHBondContact O-N 3.27Å; N407-K409 VanDerWaalsContact O-N 3.16Å; N407-K409 PolarHBondContact OD1-N 3.48Å; N407-C410 PolarHBondContact O-N 3.34Å; N407-C410 PolarHBondContact OD1-N 3.45Å; N407-D411 PolarHBondContact ND2-OD1 2.82Å; N407-D411 PolarHBondContact OD1-N 3.19Å; N407-D411 PolarHBondContact OD1-OD1 2.8Å; N407-E412 HydrophobicContact CB-CB 4.24Å; N407-E412 PolarHBondContact N-O 3.34Å; N407-E412 WeakPolarHBondContact ND2-CB 3.41Å; N407-E412 PolarHBondContact ND2-OE2 2.79Å; N407-L414 HydrophobicContact CB-CD1 4.15Å
408	L	79.1	Confident	80	Confident	129 Å²	129	26 Å²	26	68%	0.675	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-25	-178.7	-86.8	166.4	0	0	0	115.6	I380	I380-L408 HydrophobicContact CB-CD1 4.4Å; I380-L408 HydrophobicContact CB-CD2 3.91Å; I380-L408 HydrophobicContact CB-CG 4.24Å; I380-L408 HydrophobicContact CG2-CD2 3.72Å
409	K	81.4	Confident	80.4	Confident	151 Å²	151	28.7 Å²	28.7	66%	0.657	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-17	178.1	-65	177.9	177.9	179.2	0	112.7	N407 D411	N407-K409 PolarHBondContact O-N 3.27Å; N407-K409 VanDerWaalsContact O-N 3.16Å; N407-K409 PolarHBondContact OD1-N 3.48Å; K409-D411 VanDerWaalsContact C-N 3.28Å; K409-D411 HydrophobicContact CB-CB 4.38Å; K409-D411 WeakPolarHBondContact CD-OD2 3.48Å; K409-D411 IonicContact NZ-OD2 3.3Å
410	C	84.1	Confident	80.3	Confident	39 Å²	39	29.5 Å²	29.5	26%	0.264	14%	0.144	S	C	.	.	S	Bend	trans	62.4	25.8	-167.5	-52.4	0	0	0	0	115.1	T406 N407 K454 I455	T406-C410 PolarHBondContact OG1-SG 3.22Å; N407-C410 PolarHBondContact O-N 3.34Å; N407-C410 PolarHBondContact OD1-N 3.45Å; C410-K454 HydrophobicContact CB-CG 4.47Å; C410-K454 CarbonylContact O-C 3.51Å; C410-K454 WeakPolarHBondContact O-CA 3.42Å; C410-I455 VanDerWaalsContact CB-O 3.24Å; C410-I455 WeakPolarHBondContact CB-O 3.44Å; C410-I455 PolarHBondContact O-N 3.08Å
411	D	85.3	Confident	79.6	Confident	27 Å²	27	31.9 Å²	31.9	14%	0.144	16%	0.155	C	C	.	.			trans	-97.1	-4.3	177.8	60.9	12.2	0	0	0	114.1	N407 K409 Q444 P452	N407-D411 PolarHBondContact ND2-OD1 2.82Å; N407-D411 PolarHBondContact OD1-N 3.19Å; N407-D411 PolarHBondContact OD1-OD1 2.8Å; K409-D411 VanDerWaalsContact C-N 3.28Å; K409-D411 HydrophobicContact CB-CB 4.38Å; K409-D411 WeakPolarHBondContact CD-OD2 3.48Å; K409-D411 IonicContact NZ-OD2 3.3Å; D411-Q444 WeakPolarHBondContact O-CG 3.35Å; D411-P452 HydrophobicContact CB-CB 4.12Å
412	E	86.4	Confident	78.4	Confident	49 Å²	49	33.4 Å²	33.4	23%	0.229	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.2	-178.4	-170.6	-168.5	176.3	0	0	110.2	T406 N407 L414 S442 Q444	T406-E412 WeakPolarHBondContact CA-O 3.36Å; N407-E412 HydrophobicContact CB-CB 4.24Å; N407-E412 PolarHBondContact N-O 3.34Å; N407-E412 WeakPolarHBondContact ND2-CB 3.41Å; N407-E412 PolarHBondContact ND2-OE2 2.79Å; E412-L414 HydrophobicContact CB-CD1 4.19Å; E412-L414 HydrophobicContact CG-CD1 3.88Å; E412-S442 WeakPolarHBondContact OE1-CB 3.03Å; E412-S442 PolarHBondContact OE1-OG 2.85Å; E412-Q444 HydrophobicContact CB-CG 4.3Å; E412-Q444 HydrophobicContact CG-CG 4.44Å
413	L	87.2	Confident	77	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	130.1	172.2	-172.4	62.6	0	0	0	109.9	L404 S442 S443 I445 I455 L458 I465 F545	L404-L413 HydrophobicContact CD2-CD1 3.99Å; L404-L413 HydrophobicContact CD2-CD2 4.16Å; L404-L413 HydrophobicContact CD2-CG 4.11Å; L413-S442 WeakPolarHBondContact O-CA 3.29Å; L413-S442 VanDerWaalsContact O-CB 3.29Å; L413-S442 WeakPolarHBondContact O-CB 3.45Å; L413-S443 PolarHBondContact N-O 2.93Å; L413-S443 PolarHBondContact O-N 3.17Å; L413-S443 VanDerWaalsContact O-N 3.13Å; L413-I445 HydrophobicContact CB-CD1 4.02Å; L413-I445 HydrophobicContact CB-CG1 4.45Å; L413-I445 HydrophobicContact CD2-CD1 3.76Å; L413-I455 HydrophobicContact CB-CD1 3.92Å; L413-I455 HydrophobicContact CD1-CD1 4.21Å; L413-L458 HydrophobicContact CD1-CD2 3.41Å; L413-L458 VanDerWaalsContact CD1-CD2 3.41Å; L413-I465 HydrophobicContact CD2-CD1 4.45Å; L413-F545 HydrophobicContact CB-CD2 4.15Å; L413-F545 HydrophobicContact CB-CE2 3.97Å; L413-F545 HydrophobicContact CD2-CD1 4.39Å; L413-F545 HydrophobicContact CD2-CD2 3.94Å; L413-F545 HydrophobicContact CD2-CE1 4.48Å; L413-F545 HydrophobicContact CD2-CE2 4.04Å; L413-F545 HydrophobicContact CD2-CG 4.14Å; L413-F545 HydrophobicContact CD2-CZ 4.32Å; L413-F545 HydrophobicContact CG-CD2 4.33Å; L413-F545 HydrophobicContact CG-CE2 4.03Å; L413-F545 HydrophobicContact CG-CZ 4.38Å; L413-F545 WeakPolarHBondContact O-CE2 3.43Å
414	L	86	Confident	75.5	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	114.4	176.4	-72.3	73.4	0	0	0	109.3	Y381 T405 N407 E412 W416	Y381-L414 HydrophobicContact CD1-CD2 4.4Å; Y381-L414 HydrophobicContact CE1-CD2 4Å; Y381-L414 HydrophobicContact CE2-CD2 4.2Å; T405-L414 PolarHBondContact N-O 3.17Å; T405-L414 WeakPolarHBondContact O-CA 3.29Å; T405-L414 WeakPolarHBondContact O-CB 3.14Å; T405-L414 PolarHBondContact O-N 3.49Å; T405-L414 WeakPolarHBondContact OG1-CB 3.46Å; T405-L414 PolarHBondContact OG1-O 3.1Å; N407-L414 HydrophobicContact CB-CD1 4.15Å; E412-L414 HydrophobicContact CB-CD1 4.19Å; E412-L414 HydrophobicContact CG-CD1 3.88Å; L414-W416 HydrophobicContact CD2-CZ2 4.39Å
415	L	85.2	Confident	73.8	Confident	2 Å²	2	45 Å²	45	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	136.5	170.1	-179.5	74.5	0	0	0	110.5	F402 T403 L404 Q440 I441 F460 I503 F545	F402-L415 HydrophobicContact CB-CD1 4.24Å; F402-L415 HydrophobicContact CD1-CD1 3.93Å; F402-L415 HydrophobicContact CD1-CD2 4.21Å; F402-L415 HydrophobicContact CD1-CG 4.3Å; F402-L415 HydrophobicContact CE1-CD2 4.42Å; T403-L415 WeakPolarHBondContact O-CA 3.42Å; L404-L415 HydrophobicContact CD2-CB 3.96Å; L404-L415 HydrophobicContact CD2-CD1 3.51Å; L404-L415 HydrophobicContact CD2-CG 4.36Å; L404-L415 HydrophobicContact CG-CD1 4.12Å; L415-Q440 WeakPolarHBondContact O-CA 3.49Å; L415-I441 HydrophobicContact CB-CB 4.47Å; L415-I441 HydrophobicContact CD2-CD1 4.49Å; L415-I441 PolarHBondContact N-O 3.31Å; L415-I441 PolarHBondContact O-N 3.03Å; L415-F460 HydrophobicContact CD1-CZ 4.03Å; L415-I503 HydrophobicContact CD1-CD1 4.13Å; L415-I503 HydrophobicContact CD2-CB 4.48Å; L415-I503 HydrophobicContact CD2-CD1 3.59Å; L415-I503 HydrophobicContact CD2-CG1 3.87Å; L415-I503 HydrophobicContact CD2-CG2 3.76Å; L415-F545 HydrophobicContact CB-CE1 3.82Å; L415-F545 HydrophobicContact CB-CZ 3.62Å; L415-F545 HydrophobicContact CD2-CE1 4.13Å
416	W	80.1	Confident	71.9	Confident	5 Å²	5	51 Å²	51	2%	0.019	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122.7	171.3	-52.1	83.4	0	0	0	110.3	C373 Y381 F402 T403 T405 L414 L438 N439 Q440	C373-W416 HydrophobicContact CB-CB 4.46Å; C373-W416 HydrophobicContact CB-CD2 3.31Å; C373-W416 HydrophobicContact CB-CE3 3.32Å; C373-W416 HydrophobicContact CB-CG 3.86Å; C373-W416 HydrophobicContact CB-CH2 3.86Å; C373-W416 HydrophobicContact CB-CZ2 3.88Å; C373-W416 HydrophobicContact CB-CZ3 3.61Å; C373-W416 VanDerWaalsContact SG-CB 3.51Å; C373-W416 VanDerWaalsContact SG-CD2 3.53Å; Y381-W416 HydrophobicContact CD2-CZ2 4.45Å; Y381-W416 HydrophobicContact CE2-CZ2 4.35Å; F402-W416 WeakPolarHBondContact CA-O 3.42Å; T403-W416 PolarHBondContact N-O 2.95Å; T403-W416 PolarHBondContact O-N 2.96Å; T405-W416 PolarHBondContact OG1-NE1 3Å; L414-W416 HydrophobicContact CD2-CZ2 4.39Å; W416-L438 HydrophobicContact CE3-CD2 4.44Å; W416-N439 WeakPolarHBondContact CA-O 3.38Å; W416-Q440 HydrophobicContact CD2-CB 4.41Å; W416-Q440 HydrophobicContact CD2-CG 4.16Å; W416-Q440 HydrophobicContact CE3-CB 3.75Å; W416-Q440 HydrophobicContact CE3-CG 3.89Å; W416-Q440 HydrophobicContact CH2-CB 4.47Å; W416-Q440 VanDerWaalsContact CH2-CD 3.45Å; W416-Q440 HydrophobicContact CH2-CG 4.02Å; W416-Q440 HydrophobicContact CZ2-CG 4.24Å; W416-Q440 HydrophobicContact CZ3-CB 3.79Å; W416-Q440 HydrophobicContact CZ3-CG 3.82Å; W416-Q440 VanDerWaalsContact CZ3-OE1 3.24Å
417	K	78.4	Confident	70.3	Confident	32 Å²	32	51 Å²	51	14%	0.139	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	118.2	175.7	178.3	177.3	178.1	178.4	0	108.5	F402 L438 N439 D507	F402-K417 HydrophobicContact CD1-CB 4.05Å; F402-K417 HydrophobicContact CD1-CG 4.32Å; F402-K417 HydrophobicContact CE1-CB 3.73Å; F402-K417 HydrophobicContact CE1-CD 3.87Å; F402-K417 HydrophobicContact CE1-CG 3.61Å; F402-K417 HydrophobicContact CZ-CD 4.15Å; F402-K417 HydrophobicContact CZ-CG 4Å; K417-L438 WeakPolarHBondContact O-CA 3.48Å; K417-N439 HydrophobicContact CB-CB 4.37Å; K417-N439 PolarHBondContact N-O 3.27Å; K417-N439 PolarHBondContact O-N 3.36Å; K417-D507 IonicContact NZ-OD1 3.85Å; K417-D507 PolarHBondContact NZ-OD1 3.37Å; K417-D507 IonicContact NZ-OD2 2.72Å; K417-D507 PolarHBondContact NZ-OD2 2.87Å
418	Q	75.6	Confident	68.6	Low	10 Å²	10	53.9 Å²	53.9	5%	0.047	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	121.4	178.3	-174.5	175.4	30.7	0	0	111.3	D371 R401 L438	D371-Q418 PolarHBondContact O-NE2 3.23Å; R401-Q418 PolarHBondContact N-O 3.23Å; R401-Q418 PolarHBondContact O-N 3Å; Q418-L438 HydrophobicContact CB-CG 4.33Å; Q418-L438 HydrophobicContact CG-CD1 4.24Å; Q418-L438 HydrophobicContact CG-CG 4.21Å
419	Q	72.6	Confident	66.9	Low	70 Å²	70	50.2 Å²	50.2	33%	0.327	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	135.5	177.1	-170.2	-178.8	0.8	0	0	111.3	N398 I430	N398-Q419 HydrophobicContact CB-CG 4.4Å; N398-Q419 PolarHBondContact ND2-NE2 3.1Å; N398-Q419 PolarHBondContact OD1-NE2 2.9Å; Q419-I430 HydrophobicContact CG-CD1 4.46Å
420	L	67.8	Low	65	Low	16 Å²	16	46.2 Å²	46.2	8%	0.084	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	136.2	175.9	-52.9	177.2	0	0	0	110.2	L388 I399 R401 F427 L429	L388-L420 HydrophobicContact CD2-CD1 4.03Å; I399-L420 WeakPolarHBondContact O-CA 3.48Å; I399-L420 WeakPolarHBondContact O-CB 3.08Å; I399-L420 PolarHBondContact O-N 3.42Å; R401-L420 HydrophobicContact CB-CD1 3.9Å; R401-L420 HydrophobicContact CB-CG 4.3Å; L420-F427 HydrophobicContact CB-CD1 3.87Å; L420-F427 HydrophobicContact CB-CE1 4.42Å; L420-F427 HydrophobicContact CD1-CD1 3.82Å; L420-F427 HydrophobicContact CD1-CE1 4.11Å; L420-F427 HydrophobicContact CG-CD1 4.5Å; L420-L429 HydrophobicContact CD2-CD1 3.84Å
421	H	59.7	Low	62.8	Low	75 Å²	75	50.8 Å²	50.8	35%	0.347	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.8	179.4	-143.8	-59.1	0	0	0	111.1	N428 I430	H421-N428 PolarHBondContact N-O 3.27Å; H421-N428 PolarHBondContact O-N 2.5Å; H421-I430 HydrophobicContact CB-CD1 4.35Å; H421-I430 HydrophobicContact CB-CG1 3.98Å
422	F	51.8	Low	60.5	Low	46 Å²	46	55.1 Å²	55.1	20%	0.202	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	134	167.7	-124.1	-63.2	0	0	0	109.4	I399 F427	I399-F422 HydrophobicContact CD1-CD2 3.55Å; I399-F422 HydrophobicContact CD1-CE2 3.72Å; I399-F422 HydrophobicContact CG1-CD2 4.44Å; F422-F427 HydrophobicContact CD1-CD2 4.3Å; F422-F427 HydrophobicContact CD1-CE2 4.35Å; F422-F427 HydrophobicContact CD2-CD2 4.25Å; F422-F427 HydrophobicContact CD2-CE1 4.38Å; F422-F427 AromaticContact CD2-CE2 3.74Å; F422-F427 HydrophobicContact CD2-CE2 3.74Å; F422-F427 AromaticContact CD2-CZ 3.81Å; F422-F427 HydrophobicContact CD2-CZ 3.81Å; F422-F427 HydrophobicContact CE1-CD2 4.06Å; F422-F427 AromaticContact CE1-CE2 3.87Å; F422-F427 HydrophobicContact CE1-CE2 3.87Å; F422-F427 HydrophobicContact CE2-CD2 4.03Å; F422-F427 HydrophobicContact CE2-CE1 4.38Å; F422-F427 AromaticContact CE2-CE2 3.18Å; F422-F427 HydrophobicContact CE2-CE2 3.18Å; F422-F427 AromaticContact CE2-CZ 3.4Å; F422-F427 HydrophobicContact CE2-CZ 3.4Å; F422-F427 VanDerWaalsContact CE2-CZ 3.4Å; F422-F427 HydrophobicContact CG-CD2 4.4Å; F422-F427 HydrophobicContact CG-CE2 4.3Å; F422-F427 AromaticContact CZ-CD2 3.94Å; F422-F427 HydrophobicContact CZ-CD2 3.94Å; F422-F427 AromaticContact CZ-CE2 3.27Å; F422-F427 HydrophobicContact CZ-CE2 3.27Å; F422-F427 AromaticContact CZ-CZ 4Å; F422-F427 HydrophobicContact CZ-CZ 4Å
423	N	50.3	Low	58	Low	82 Å²	82	60.5 Å²	60.5	44%	0.439	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	131.8	165.9	-157.8	-27	0	0	0	111.4	G425 F426	N423-G425 PolarHBondContact O-N 2.79Å; N423-F426 PolarHBondContact N-O 2.94Å; N423-F426 PolarHBondContact O-N 2.69Å
424	N	47.5	Very low	55.7	Low	152 Å²	152	67.1 Å²	67.1	81%	0.813	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	32.4	177.8	-70.9	-39.3	0	0	0	116.2	F426	N424-F426 VanDerWaalsContact C-N 3.31Å; N424-F426 WeakPolarHBondContact O-CD2 3.37Å
425	G	46.3	Very low	53.6	Low	29 Å²	29	76.9 Å²	76.9	30%	0.299	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	3.1	179.3	0	0	0	0	0	115	N423	N423-G425 PolarHBondContact O-N 2.79Å
426	F	42.5	Very low	51.5	Low	124 Å²	124	86.8 Å²	86.8	54%	0.544	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	154.4	170.6	-59.7	-86.9	0	0	0	109.3	N423 N424	N423-F426 PolarHBondContact N-O 2.94Å; N423-F426 PolarHBondContact O-N 2.69Å; N424-F426 VanDerWaalsContact C-N 3.31Å; N424-F426 WeakPolarHBondContact O-CD2 3.37Å
427	F	48.4	Very low	50.1	Low	7 Å²	7	88.3 Å²	88.3	3%	0.031	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	117.9	170	-77.9	-126.5	0	0	0	107.5	L366 T367 I399 L420 F422 L799	L366-F427 HydrophobicContact CD1-CD2 3.66Å; L366-F427 HydrophobicContact CD1-CE2 4.02Å; L366-F427 HydrophobicContact CD1-CG 4.46Å; L366-F427 HydrophobicContact CD2-CB 4.34Å; L366-F427 HydrophobicContact CD2-CD1 4.16Å; L366-F427 HydrophobicContact CD2-CD2 3.55Å; L366-F427 HydrophobicContact CD2-CE1 4.29Å; L366-F427 HydrophobicContact CD2-CE2 3.65Å; L366-F427 HydrophobicContact CD2-CG 3.78Å; L366-F427 HydrophobicContact CD2-CZ 4.03Å; L366-F427 HydrophobicContact CG-CB 4.28Å; L366-F427 HydrophobicContact CG-CD2 3.82Å; L366-F427 HydrophobicContact CG-CE2 4.3Å; L366-F427 HydrophobicContact CG-CG 4.15Å; T367-F427 VanDerWaalsContact CB-O 3.32Å; T367-F427 WeakPolarHBondContact CB-O 3.35Å; T367-F427 WeakPolarHBondContact CG2-O 3Å; T367-F427 PolarHBondContact OG1-O 3.01Å; I399-F427 HydrophobicContact CB-CE1 4.23Å; I399-F427 HydrophobicContact CD1-CE1 3.99Å; I399-F427 HydrophobicContact CD1-CZ 3.81Å; I399-F427 HydrophobicContact CG2-CE1 4.07Å; L420-F427 HydrophobicContact CB-CD1 3.87Å; L420-F427 HydrophobicContact CB-CE1 4.42Å; L420-F427 HydrophobicContact CD1-CD1 3.82Å; L420-F427 HydrophobicContact CD1-CE1 4.11Å; L420-F427 HydrophobicContact CG-CD1 4.5Å; F422-F427 HydrophobicContact CD1-CD2 4.3Å; F422-F427 HydrophobicContact CD1-CE2 4.35Å; F422-F427 HydrophobicContact CD2-CD2 4.25Å; F422-F427 HydrophobicContact CD2-CE1 4.38Å; F422-F427 AromaticContact CD2-CE2 3.74Å; F422-F427 HydrophobicContact CD2-CE2 3.74Å; F422-F427 AromaticContact CD2-CZ 3.81Å; F422-F427 HydrophobicContact CD2-CZ 3.81Å; F422-F427 HydrophobicContact CE1-CD2 4.06Å; F422-F427 AromaticContact CE1-CE2 3.87Å; F422-F427 HydrophobicContact CE1-CE2 3.87Å; F422-F427 HydrophobicContact CE2-CD2 4.03Å; F422-F427 HydrophobicContact CE2-CE1 4.38Å; F422-F427 AromaticContact CE2-CE2 3.18Å; F422-F427 HydrophobicContact CE2-CE2 3.18Å; F422-F427 AromaticContact CE2-CZ 3.4Å; F422-F427 HydrophobicContact CE2-CZ 3.4Å; F422-F427 VanDerWaalsContact CE2-CZ 3.4Å; F422-F427 HydrophobicContact CG-CD2 4.4Å; F422-F427 HydrophobicContact CG-CE2 4.3Å; F422-F427 AromaticContact CZ-CD2 3.94Å; F422-F427 HydrophobicContact CZ-CD2 3.94Å; F422-F427 AromaticContact CZ-CE2 3.27Å; F422-F427 HydrophobicContact CZ-CE2 3.27Å; F422-F427 AromaticContact CZ-CZ 4Å; F422-F427 HydrophobicContact CZ-CZ 4Å; F427-L799 HydrophobicContact CE2-CD1 4.05Å; F427-L799 HydrophobicContact CZ-CD1 3.87Å
428	N	44.8	Very low	49.4	Very low	84 Å²	84	89.1 Å²	89.1	45%	0.449	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	131.5	173.5	-72.1	-18.9	0	0	0	108.7	H421	H421-N428 PolarHBondContact N-O 3.27Å; H421-N428 PolarHBondContact O-N 2.5Å
429	L	42.6	Very low	49.1	Very low	53 Å²	53	92.5 Å²	92.5	28%	0.277	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-67.5	138.6	169.3	-145.9	77.1	0	0	0	108.1	D371 L420 H431	D371-L429 HydrophobicContact CB-CD2 4.39Å; L420-L429 HydrophobicContact CD2-CD1 3.84Å; L429-H431 VanDerWaalsContact C-N 3.33Å; L429-H431 PolarHBondContact O-N 3.36Å
430	I	43.1	Very low	49.3	Very low	67 Å²	67	93.7 Å²	93.7	34%	0.344	47%	0.468	S	S	.	.			trans	-74.3	90.3	174.1	-54.2	175.8	0	0	0	107.7	Q419 H421 N432	Q419-I430 HydrophobicContact CG-CD1 4.46Å; H421-I430 HydrophobicContact CB-CD1 4.35Å; H421-I430 HydrophobicContact CB-CG1 3.98Å; I430-N432 HydrophobicContact CG2-CB 4.17Å; I430-N432 PolarHBondContact O-N 2.81Å
431	H	38.2	Very low	49.9	Very low	134 Å²	134	95.4 Å²	95.4	62%	0.62	48%	0.476	S	S	*	.			trans	-76	64.6	167.5	-89.9	-9.1	0	0	0	110.5	D371 L429	D371-H431 IonicContact OD2-CE1 3.68Å; L429-H431 VanDerWaalsContact C-N 3.33Å; L429-H431 PolarHBondContact O-N 3.36Å
432	N	35.1	Very low	51	Low	119 Å²	119	94.2 Å²	94.2	64%	0.636	48%	0.477	S	S	*	.			trans	-78.2	135.3	155.1	-74.1	-10.3	0	0	0	107.4	I430 H434	I430-N432 HydrophobicContact CG2-CB 4.17Å; I430-N432 PolarHBondContact O-N 2.81Å; N432-H434 PolarHBondContact O-N 3.49Å
433	N	35.4	Very low	52.7	Low	162 Å²	162	93.4 Å²	93.4	87%	0.866	48%	0.477	S	S	*	.	S	Bend	trans	-75.4	28.2	-175	-74.2	-31.7	0	0	0	114.3
434	H	37.6	Very low	54.4	Low	138 Å²	138	93.4 Å²	93.4	64%	0.639	47%	0.474	S	S	*	.	S	Bend	trans	-121.5	147.1	179.2	-60.6	-70.3	0	0	0	110.3	N432 Y436	N432-H434 PolarHBondContact O-N 3.49Å; H434-Y436 HydrophobicContact CB-CD2 3.76Å; H434-Y436 HydrophobicContact CB-CE2 4.17Å; H434-Y436 PolarHBondContact O-N 3.31Å
435	K	42.6	Very low	56.2	Low	208 Å²	208	86.3 Å²	86.3	90%	0.904	44%	0.436	S	S	*	.	S	Bend	trans	-69.5	6.4	-175.4	-71.5	-179.2	173.2	179.2	0	115
436	Y	40.4	Very low	58	Low	210 Å²	210	88.8 Å²	88.8	82%	0.824	44%	0.442	S	S	*	.			trans	-94.7	121.5	-172.8	-48.8	-57.3	0	0	0	110.1	H434	H434-Y436 HydrophobicContact CB-CD2 3.76Å; H434-Y436 HydrophobicContact CB-CE2 4.17Å; H434-Y436 PolarHBondContact O-N 3.31Å
437	G	52.1	Low	59.9	Low	36 Å²	36	83.3 Å²	83.3	37%	0.371	42%	0.419	S	S	.	.	S	Bend	trans	145.3	-5.2	-177.1	0	0	0	0	0	116.3
438	L	62.1	Low	61.2	Low	49 Å²	49	90 Å²	90	26%	0.257	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	114.9	156.6	-78.8	83.9	0	0	0	108.2	C373 W416 K417 Q418	C373-L438 HydrophobicContact CB-CD2 3.92Å; W416-L438 HydrophobicContact CE3-CD2 4.44Å; K417-L438 WeakPolarHBondContact O-CA 3.48Å; Q418-L438 HydrophobicContact CB-CG 4.33Å; Q418-L438 HydrophobicContact CG-CD1 4.24Å; Q418-L438 HydrophobicContact CG-CG 4.21Å
439	N	69.8	Low	62.3	Low	81 Å²	81	93 Å²	93	43%	0.433	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	134.4	165	-68.9	4.1	0	0	0	108.2	W416 K417	W416-N439 WeakPolarHBondContact CA-O 3.38Å; K417-N439 HydrophobicContact CB-CB 4.37Å; K417-N439 PolarHBondContact N-O 3.27Å; K417-N439 PolarHBondContact O-N 3.36Å
440	Q	76.4	Confident	64	Low	95 Å²	95	91.2 Å²	91.2	44%	0.444	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	133.6	174	-178.3	-175.1	-16.7	0	0	107.9	L415 W416	L415-Q440 WeakPolarHBondContact O-CA 3.49Å; W416-Q440 HydrophobicContact CD2-CB 4.41Å; W416-Q440 HydrophobicContact CD2-CG 4.16Å; W416-Q440 HydrophobicContact CE3-CB 3.75Å; W416-Q440 HydrophobicContact CE3-CG 3.89Å; W416-Q440 HydrophobicContact CH2-CB 4.47Å; W416-Q440 VanDerWaalsContact CH2-CD 3.45Å; W416-Q440 HydrophobicContact CH2-CG 4.02Å; W416-Q440 HydrophobicContact CZ2-CG 4.24Å; W416-Q440 HydrophobicContact CZ3-CB 3.79Å; W416-Q440 HydrophobicContact CZ3-CG 3.82Å; W416-Q440 VanDerWaalsContact CZ3-OE1 3.24Å
441	I	81.2	Confident	65.8	Low	52 Å²	52	90.5 Å²	90.5	27%	0.267	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	131.1	176.8	-63.2	169.1	0	0	0	106.4	L415 P544 F545	L415-I441 HydrophobicContact CB-CB 4.47Å; L415-I441 HydrophobicContact CD2-CD1 4.49Å; L415-I441 PolarHBondContact N-O 3.31Å; L415-I441 PolarHBondContact O-N 3.03Å; I441-P544 HydrophobicContact CG2-CB 3.22Å; I441-P544 HydrophobicContact CG2-CG 3.74Å; I441-F545 HydrophobicContact CG2-CE1 4.42Å; I441-F545 HydrophobicContact CG2-CZ 3.99Å
442	S	83.5	Confident	68	Low	50 Å²	50	85.9 Å²	85.9	35%	0.35	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	153.4	174.9	73	0	0	0	0	113	E412 L413	E412-S442 WeakPolarHBondContact OE1-CB 3.03Å; E412-S442 PolarHBondContact OE1-OG 2.85Å; L413-S442 WeakPolarHBondContact O-CA 3.29Å; L413-S442 VanDerWaalsContact O-CB 3.29Å; L413-S442 WeakPolarHBondContact O-CB 3.45Å
443	S	86	Confident	70.6	Confident	30 Å²	30	80.2 Å²	80.2	21%	0.21	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	154.9	177.1	-174.6	0	0	0	0	110.1	L413 N543	L413-S443 PolarHBondContact N-O 2.93Å; L413-S443 PolarHBondContact O-N 3.17Å; L413-S443 VanDerWaalsContact O-N 3.13Å; S443-N543 PolarHBondContact OG-OD1 3.33Å
444	Q	86.4	Confident	73.2	Confident	82 Å²	82	77.5 Å²	77.5	38%	0.383	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	140.1	168.4	-64.4	-167.6	-37.9	0	0	109.6	D411 E412 P452	D411-Q444 WeakPolarHBondContact O-CG 3.35Å; E412-Q444 HydrophobicContact CB-CG 4.3Å; E412-Q444 HydrophobicContact CG-CG 4.44Å; Q444-P452 HydrophobicContact CB-CB 4.28Å; Q444-P452 HydrophobicContact CB-CG 4.46Å
445	I	85	Confident	75.8	Confident	2 Å²	2	71 Å²	71	1%	0.01	36%	0.361	C	S	.	.			trans	-102.1	112.5	-179.8	-56.3	-176.6	0	0	0	108	L413 I453 I455 L467 V499 I547	L413-I445 HydrophobicContact CB-CD1 4.02Å; L413-I445 HydrophobicContact CB-CG1 4.45Å; L413-I445 HydrophobicContact CD2-CD1 3.76Å; I445-I453 HydrophobicContact CG2-CD1 4.2Å; I445-I453 WeakPolarHBondContact O-CB 3.45Å; I445-I453 WeakPolarHBondContact O-CG1 3.26Å; I445-I453 PolarHBondContact O-N 3.11Å; I445-I455 HydrophobicContact CD1-CD1 4.41Å; I445-L467 HydrophobicContact CD1-CD2 3.43Å; I445-L467 VanDerWaalsContact CD1-CD2 3.43Å; I445-V499 HydrophobicContact CG2-CG1 4.47Å; I445-I547 HydrophobicContact CG2-CD1 3.95Å; I445-I547 HydrophobicContact CG2-CG1 4.37Å
446	I	83.8	Confident	78	Confident	82 Å²	82	62.8 Å²	62.8	42%	0.421	33%	0.327	S	S	.	.			trans	-117.2	135.8	-177.5	-61.7	165.7	0	0	0	107.4	P452 I547	I446-P452 HydrophobicContact CD1-CG 4.42Å; I446-P452 HydrophobicContact CG1-CB 4.42Å; I446-P452 HydrophobicContact CG1-CG 4.17Å; I446-I547 WeakPolarHBondContact O-CD1 3.19Å
447	V	83.9	Confident	80.5	Confident	9 Å²	9	53 Å²	53	6%	0.055	29%	0.289	C	S	.	.			trans	-117.2	129.8	175.7	165.9	0	0	0	0	107.7	N449 S450 I453 I471 I497 V499 I547 T550	V447-N449 VanDerWaalsContact C-N 3.3Å; V447-N449 PolarHBondContact O-N 2.85Å; V447-S450 PolarHBondContact N-OG 2.9Å; V447-S450 WeakPolarHBondContact O-CB 3.27Å; V447-S450 PolarHBondContact O-N 2.81Å; V447-S450 PolarHBondContact O-OG 3.49Å; V447-I453 HydrophobicContact CB-CD1 4.36Å; V447-I453 HydrophobicContact CG2-CD1 3.71Å; V447-I471 HydrophobicContact CB-CD1 4.27Å; V447-I497 HydrophobicContact CG1-CD1 4.2Å; V447-I497 HydrophobicContact CG2-CD1 4.47Å; V447-V499 HydrophobicContact CG2-CG2 4.17Å; V447-I547 HydrophobicContact CG2-CD1 3.73Å; V447-T550 HydrophobicContact CG1-CG2 4.17Å; V447-T550 HydrophobicContact CG2-CG2 3.88Å
448	D	74.5	Confident	82.3	Confident	146 Å²	146	51.3 Å²	51.3	78%	0.781	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.9	46.4	167.3	-51.4	-26.5	0	0	0	115.2	S450	D448-S450 VanDerWaalsContact C-N 3.3Å; D448-S450 PolarHBondContact O-N 3.03Å
449	N	69.4	Low	83.6	Confident	147 Å²	147	49.4 Å²	49.4	79%	0.786	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	24.9	-178.6	-54.5	-38.8	0	0	0	115.7	V447 N474	V447-N449 VanDerWaalsContact C-N 3.3Å; V447-N449 PolarHBondContact O-N 2.85Å; N449-N474 PolarHBondContact O-ND2 3.34Å
450	S	76.9	Confident	84.4	Confident	16 Å²	16	46.1 Å²	46.1	11%	0.112	24%	0.242	C	C	.	.			trans	-69.8	176.9	171.9	73.2	0	0	0	0	113.6	V447 D448 N474	V447-S450 PolarHBondContact N-OG 2.9Å; V447-S450 WeakPolarHBondContact O-CB 3.27Å; V447-S450 PolarHBondContact O-N 2.81Å; V447-S450 PolarHBondContact O-OG 3.49Å; D448-S450 VanDerWaalsContact C-N 3.3Å; D448-S450 PolarHBondContact O-N 3.03Å; S450-N474 PolarHBondContact O-ND2 3.18Å
451	N	82.1	Confident	84.9	Confident	53 Å²	53	43.7 Å²	43.7	28%	0.283	23%	0.231	S	C	.	.	S	Bend	trans	-60.8	155.9	155.2	-76.9	-79.6	0	0	0	110.1	I453 T472 P473 N474	N451-I453 PolarHBondContact O-N 2.92Å; N451-T472 WeakPolarHBondContact CB-O 3.22Å; N451-T472 PolarHBondContact N-O 3.34Å; N451-T472 PolarHBondContact ND2-O 2.84Å; N451-T472 PolarHBondContact ND2-OG1 2.83Å; N451-P473 PolarHBondContact ND2-O 2.87Å; N451-N474 PolarHBondContact N-ND2 3.02Å; N451-N474 PolarHBondContact ND2-OD1 2.97Å; N451-N474 VanDerWaalsContact ND2-OD1 3.16Å; N451-N474 PolarHBondContact OD1-OD1 3.35Å
452	P	84	Confident	84.9	Confident	36 Å²	36	42.4 Å²	42.4	23%	0.234	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-48.4	134.6	166.7	-28.7	36.7	0	0	0	112.1	D411 Q444 I446 K454	D411-P452 HydrophobicContact CB-CB 4.12Å; Q444-P452 HydrophobicContact CB-CB 4.28Å; Q444-P452 HydrophobicContact CB-CG 4.46Å; I446-P452 HydrophobicContact CD1-CG 4.42Å; I446-P452 HydrophobicContact CG1-CB 4.42Å; I446-P452 HydrophobicContact CG1-CG 4.17Å; P452-K454 PolarHBondContact O-N 3.31Å
453	I	89.7	Confident	84.8	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-64.7	127.8	-178.7	-68.8	175.6	0	0	0	109.6	I445 V447 N451 I455 L467 I471 I497 V499	I445-I453 HydrophobicContact CG2-CD1 4.2Å; I445-I453 WeakPolarHBondContact O-CB 3.45Å; I445-I453 WeakPolarHBondContact O-CG1 3.26Å; I445-I453 PolarHBondContact O-N 3.11Å; V447-I453 HydrophobicContact CB-CD1 4.36Å; V447-I453 HydrophobicContact CG2-CD1 3.71Å; N451-I453 PolarHBondContact O-N 2.92Å; I453-I455 HydrophobicContact CG2-CG1 4.34Å; I453-I455 PolarHBondContact O-N 2.79Å; I453-I455 VanDerWaalsContact O-N 3.1Å; I453-L467 HydrophobicContact CG2-CD1 4.39Å; I453-I471 HydrophobicContact CD1-CD1 4.32Å; I453-I471 HydrophobicContact CD1-CG1 4.34Å; I453-I471 HydrophobicContact CG1-CD1 4.24Å; I453-I471 HydrophobicContact CG1-CG1 3.76Å; I453-I497 HydrophobicContact CD1-CG2 4.02Å; I453-V499 HydrophobicContact CD1-CG2 3.55Å
454	K	90.4	Very high	84.9	Confident	105 Å²	105	42.9 Å²	42.9	46%	0.457	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	95.3	168.5	-174.3	-179.4	179.4	-177.1	0	109	C410 P452 G469 I470	C410-K454 HydrophobicContact CB-CG 4.47Å; C410-K454 CarbonylContact O-C 3.51Å; C410-K454 WeakPolarHBondContact O-CA 3.42Å; P452-K454 PolarHBondContact O-N 3.31Å; K454-G469 CarbonylContact O-C 3.57Å; K454-G469 WeakPolarHBondContact O-CA 3.29Å; K454-I470 PolarHBondContact N-O 2.97Å; K454-I470 PolarHBondContact O-N 3.16Å
455	I	91.4	Very high	85.1	Confident	2 Å²	2	39 Å²	39	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	130.2	-178	-56.3	177.1	0	0	0	109.5	T406 C410 L413 I445 I453 L458 L467	T406-I455 HydrophobicContact CG2-CB 3.9Å; T406-I455 HydrophobicContact CG2-CD1 4.08Å; T406-I455 HydrophobicContact CG2-CG2 3.85Å; C410-I455 VanDerWaalsContact CB-O 3.24Å; C410-I455 WeakPolarHBondContact CB-O 3.44Å; C410-I455 PolarHBondContact O-N 3.08Å; L413-I455 HydrophobicContact CB-CD1 3.92Å; L413-I455 HydrophobicContact CD1-CD1 4.21Å; I445-I455 HydrophobicContact CD1-CD1 4.41Å; I453-I455 HydrophobicContact CG2-CG1 4.34Å; I453-I455 PolarHBondContact O-N 2.79Å; I453-I455 VanDerWaalsContact O-N 3.1Å; I455-L458 HydrophobicContact CG2-CD2 4.1Å; I455-L467 HydrophobicContact CG1-CD1 4.34Å
456	L	89.9	Confident	85.5	Confident	35 Å²	35	40 Å²	40	18%	0.183	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	-38.9	-178.9	-63.9	-177.6	0	0	0	112.7	T468 I470 P567 I569 F570	L456-T468 PolarHBondContact N-O 2.83Å; L456-I470 HydrophobicContact CD1-CD1 3.87Å; L456-I470 HydrophobicContact CD1-CG1 3.91Å; L456-P567 HydrophobicContact CD1-CB 3.78Å; L456-I569 VanDerWaalsContact CD1-O 3.31Å; L456-I569 WeakPolarHBondContact CD1-O 3.3Å; L456-F570 HydrophobicContact CB-CD2 3.89Å; L456-F570 HydrophobicContact CB-CE2 3.93Å; L456-F570 HydrophobicContact CD1-CD2 4.27Å
457	Y	91.6	Very high	86	Confident	6 Å²	6	36 Å²	36	2%	0.024	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	156.2	-178.7	-168.9	-96.3	0	0	0	110.3	I384 R459 L467 T468 F570 I572 F617	I384-Y457 HydrophobicContact CG2-CD2 4.32Å; Y457-R459 HydrophobicContact CE1-CG 3.9Å; Y457-R459 PolarHBondContact OH-NE 3.49Å; Y457-R459 PolarHBondContact OH-NH2 3.03Å; Y457-L467 WeakPolarHBondContact O-CA 3.36Å; Y457-T468 PolarHBondContact N-O 2.86Å; Y457-T468 PolarHBondContact O-N 2.84Å; Y457-T468 PolarHBondContact O-OG1 2.77Å; Y457-F570 HydrophobicContact CD2-CD1 4.43Å; Y457-F570 AromaticContact CD2-CE1 3.99Å; Y457-F570 HydrophobicContact CD2-CE1 3.99Å; Y457-F570 HydrophobicContact CG-CE1 4.48Å; Y457-I572 HydrophobicContact CD1-CG1 4.1Å; Y457-I572 HydrophobicContact CE1-CG1 4.16Å; Y457-I572 WeakPolarHBondContact CE1-O 3.45Å; Y457-F617 HydrophobicContact CD2-CD1 4.17Å; Y457-F617 HydrophobicContact CD2-CE1 4.13Å; Y457-F617 AromaticContact CE2-CD1 3.7Å; Y457-F617 HydrophobicContact CE2-CD1 3.7Å; Y457-F617 AromaticContact CE2-CE1 3.9Å; Y457-F617 HydrophobicContact CE2-CE1 3.9Å
458	L	90.7	Very high	86.5	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	157.9	177.9	46.2	70.4	0	0	0	113.2	I384 D385 L404 L413 I455 Y466 L467	I384-L458 HydrophobicContact CB-CD1 3.69Å; I384-L458 HydrophobicContact CB-CG 4.09Å; I384-L458 HydrophobicContact CD1-CG 4.46Å; I384-L458 HydrophobicContact CG2-CD1 3.69Å; I384-L458 HydrophobicContact CG2-CG 3.81Å; D385-L458 HydrophobicContact CB-CD1 3.31Å; L404-L458 HydrophobicContact CB-CD1 3.75Å; L404-L458 HydrophobicContact CB-CD2 4.25Å; L404-L458 HydrophobicContact CD1-CD1 3.88Å; L404-L458 HydrophobicContact CD1-CD2 4.2Å; L404-L458 HydrophobicContact CG-CD1 4.48Å; L413-L458 HydrophobicContact CD1-CD2 3.41Å; L413-L458 VanDerWaalsContact CD1-CD2 3.41Å; I455-L458 HydrophobicContact CG2-CD2 4.1Å; L458-Y466 CarbonylContact C-O 3.59Å; L458-Y466 WeakPolarHBondContact CA-O 3.45Å; L458-Y466 VanDerWaalsContact CB-O 3.24Å; L458-Y466 WeakPolarHBondContact CB-O 3.39Å; L458-L467 HydrophobicContact CB-CB 3.73Å; L458-L467 HydrophobicContact CD2-CB 4.48Å
459	R	89.2	Confident	87.3	Confident	9 Å²	9	28.7 Å²	28.7	3%	0.034	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	138.2	178.5	-69.1	-72.5	-159.2	179.6	1.9	111.1	D385 Y457 Y466 I572 D573 I574 L618 H662	D385-R459 VanDerWaalsContact OD2-C 3.27Å; D385-R459 WeakPolarHBondContact OD2-CA 3.21Å; Y457-R459 HydrophobicContact CE1-CG 3.9Å; Y457-R459 PolarHBondContact OH-NE 3.49Å; Y457-R459 PolarHBondContact OH-NH2 3.03Å; R459-Y466 PolarHBondContact N-O 2.85Å; R459-Y466 PolarHBondContact O-N 3.26Å; R459-I572 HydrophobicContact CB-CD1 4.25Å; R459-I572 HydrophobicContact CB-CG1 4.19Å; R459-I572 HydrophobicContact CG-CD1 4.22Å; R459-I572 HydrophobicContact CG-CG1 3.62Å; R459-I572 PolarHBondContact NE-O 3.08Å; R459-I572 PolarHBondContact NH2-O 3.16Å; R459-D573 IonicContact CZ-OD1 3.16Å; R459-D573 IonicContact NE-OD1 2.78Å; R459-D573 IonicContact NH2-OD1 2.7Å; R459-D573 PolarHBondContact NH2-OD1 2.65Å; R459-I574 HydrophobicContact CB-CD1 4.15Å; R459-L618 PolarHBondContact NH2-O 2.82Å; R459-L618 VanDerWaalsContact NH2-O 3.14Å; R459-H662 PolarHBondContact NH1-NE2 2.88Å
460	F	86.4	Confident	88.4	Confident	11 Å²	11	22.1 Å²	22.1	5%	0.048	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	142.7	161.4	-75.6	-76.7	0	0	0	112.2	D385 K387 F402 L404 L415 V464 I465 I503	D385-F460 WeakPolarHBondContact OD2-CD2 3.29Å; D385-F460 PolarHBondContact OD2-N 2.83Å; K387-F460 HydrophobicContact CB-CB 4.24Å; K387-F460 HydrophobicContact CB-CD2 3.44Å; K387-F460 VanDerWaalsContact CB-CD2 3.44Å; K387-F460 HydrophobicContact CB-CE2 3.81Å; K387-F460 HydrophobicContact CB-CG 3.87Å; K387-F460 HydrophobicContact CD-CB 3.48Å; K387-F460 VanDerWaalsContact CD-CB 3.48Å; K387-F460 HydrophobicContact CD-CD1 4.09Å; K387-F460 HydrophobicContact CD-CD2 4.2Å; K387-F460 HydrophobicContact CD-CG 3.71Å; K387-F460 HydrophobicContact CG-CB 4.46Å; K387-F460 HydrophobicContact CG-CD2 4.45Å; K387-F460 HydrophobicContact CG-CG 4.42Å; F402-F460 HydrophobicContact CB-CE2 4.32Å; F402-F460 HydrophobicContact CB-CZ 3.94Å; L404-F460 HydrophobicContact CD1-CD2 4.13Å; L404-F460 HydrophobicContact CD1-CE1 4.07Å; L404-F460 HydrophobicContact CD1-CE2 3.52Å; L404-F460 HydrophobicContact CD1-CZ 3.49Å; L404-F460 VanDerWaalsContact CD1-CZ 3.49Å; L404-F460 HydrophobicContact CD2-CZ 4.33Å; L404-F460 HydrophobicContact CG-CE2 3.69Å; L404-F460 HydrophobicContact CG-CZ 3.62Å; L415-F460 HydrophobicContact CD1-CZ 4.03Å; F460-V464 CarbonylContact C-O 3.59Å; F460-V464 WeakPolarHBondContact CA-O 3.49Å; F460-I465 HydrophobicContact CD1-CG1 3.85Å; F460-I465 HydrophobicContact CE1-CD1 4.09Å; F460-I465 HydrophobicContact CE1-CG1 3.6Å; F460-I465 HydrophobicContact CZ-CG1 4.41Å; F460-I503 HydrophobicContact CE1-CD1 4.07Å
461	H	86.1	Confident	89	Confident	44 Å²	44	22 Å²	22	20%	0.204	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	114.2	165.8	-179.2	-82.8	0	0	0	109.7	V464 Y466 I574 H576	H461-V464 PolarHBondContact N-O 3.22Å; H461-V464 WeakPolarHBondContact O-CB 3.5Å; H461-V464 PolarHBondContact O-N 3.48Å; H461-V464 VanDerWaalsContact O-N 3.1Å; H461-Y466 HydrophobicContact CB-CD2 4.17Å; H461-Y466 HydrophobicContact CB-CE2 4.05Å; H461-I574 HydrophobicContact CB-CD1 3.74Å; H461-I574 HydrophobicContact CB-CG2 4.43Å; H461-I574 WeakPolarHBondContact CD2-CG2 3.33Å; H461-H576 AromaticContact CD2-CE1 2.86Å; H461-H576 PolarHBondContact CD2-CE1 3.03Å; H461-H576 AromaticContact CD2-ND1 3.44Å; H461-H576 PolarHBondContact CD2-ND1 3.36Å; H461-H576 AromaticContact CD2-NE2 3.78Å; H461-H576 AromaticContact CG-CE1 3.94Å; H461-H576 AromaticContact NE2-CE1 3.07Å; H461-H576 PolarHBondContact NE2-CE1 2.9Å; H461-H576 AromaticContact NE2-ND1 3.78Å
462	G	82.4	Confident	89.1	Confident	25 Å²	25	22.4 Å²	22.4	26%	0.258	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	-136.7	-163.9	0	0	0	0	0	111.1	K387 V464	K387-G462 WeakPolarHBondContact CE-O 3.27Å; K387-G462 PolarHBondContact NZ-O 2.76Å; G462-V464 VanDerWaalsContact C-N 3.27Å
463	S	80.8	Confident	88.6	Confident	64 Å²	64	23.3 Å²	23.3	45%	0.448	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	2	171.9	48.8	0	0	0	0	114.4
464	V	88.8	Confident	87.6	Confident	26 Å²	26	26.3 Å²	26.3	16%	0.158	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	142.3	-173.5	179.9	0	0	0	0	110.9	F460 H461 G462 Y466 C500 C501 I548	F460-V464 CarbonylContact C-O 3.59Å; F460-V464 WeakPolarHBondContact CA-O 3.49Å; H461-V464 PolarHBondContact N-O 3.22Å; H461-V464 WeakPolarHBondContact O-CB 3.5Å; H461-V464 PolarHBondContact O-N 3.48Å; H461-V464 VanDerWaalsContact O-N 3.1Å; G462-V464 VanDerWaalsContact C-N 3.27Å; V464-Y466 HydrophobicContact CB-CE2 4.21Å; V464-Y466 HydrophobicContact CG1-CD2 4.03Å; V464-Y466 HydrophobicContact CG1-CE2 3.59Å; V464-C500 WeakPolarHBondContact CG1-SG 3.33Å; V464-C501 WeakPolarHBondContact CG1-O 3.4Å; V464-I548 HydrophobicContact CG1-CD1 3.94Å; V464-I548 HydrophobicContact CG2-CD1 3.99Å
465	I	90.9	Very high	86.1	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.8	172.8	-56.9	170.4	0	0	0	108.1	L404 L413 F460 L467 C500 C501 I503 F545	L404-I465 HydrophobicContact CD1-CD1 3.93Å; L404-I465 HydrophobicContact CD1-CG1 4.02Å; L404-I465 HydrophobicContact CD1-CG2 3.73Å; L404-I465 HydrophobicContact CD2-CD1 4.09Å; L413-I465 HydrophobicContact CD2-CD1 4.45Å; F460-I465 HydrophobicContact CD1-CG1 3.85Å; F460-I465 HydrophobicContact CE1-CD1 4.09Å; F460-I465 HydrophobicContact CE1-CG1 3.6Å; F460-I465 HydrophobicContact CZ-CG1 4.41Å; I465-L467 HydrophobicContact CG2-CD2 4.48Å; I465-C500 WeakPolarHBondContact O-CA 3.37Å; I465-C501 PolarHBondContact N-O 3.14Å; I465-C501 PolarHBondContact O-N 2.86Å; I465-I503 HydrophobicContact CD1-CD1 4.26Å; I465-I503 HydrophobicContact CD1-CG1 3.79Å; I465-F545 HydrophobicContact CD1-CD1 4.35Å
466	Y	93.4	Very high	84.3	Confident	23 Å²	23	30.4 Å²	30.4	9%	0.09	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	132.5	166.6	-70.5	-87.3	0	0	0	109.3	L458 R459 H461 V464 L498 V499 C500 I574 I581 L599	L458-Y466 CarbonylContact C-O 3.59Å; L458-Y466 WeakPolarHBondContact CA-O 3.45Å; L458-Y466 VanDerWaalsContact CB-O 3.24Å; L458-Y466 WeakPolarHBondContact CB-O 3.39Å; R459-Y466 PolarHBondContact N-O 2.85Å; R459-Y466 PolarHBondContact O-N 3.26Å; H461-Y466 HydrophobicContact CB-CD2 4.17Å; H461-Y466 HydrophobicContact CB-CE2 4.05Å; V464-Y466 HydrophobicContact CB-CE2 4.21Å; V464-Y466 HydrophobicContact CG1-CD2 4.03Å; V464-Y466 HydrophobicContact CG1-CE2 3.59Å; Y466-L498 HydrophobicContact CD1-CD2 4.29Å; Y466-V499 WeakPolarHBondContact CA-O 3.35Å; Y466-C500 HydrophobicContact CD1-CB 3.92Å; Y466-C500 HydrophobicContact CE1-CB 3.68Å; Y466-C500 WeakPolarHBondContact CE1-SG 3.25Å; Y466-C500 VanDerWaalsContact CZ-SG 3.6Å; Y466-I574 HydrophobicContact CD2-CD1 3.47Å; Y466-I574 VanDerWaalsContact CD2-CD1 3.47Å; Y466-I574 HydrophobicContact CE2-CD1 4.06Å; Y466-I574 HydrophobicContact CG-CD1 3.94Å; Y466-I581 HydrophobicContact CD1-CD1 3.52Å; Y466-I581 HydrophobicContact CE1-CD1 3.31Å; Y466-I581 HydrophobicContact CG-CD1 4.28Å; Y466-L599 HydrophobicContact CE1-CD1 4.3Å
467	L	93.7	Very high	82.1	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	141.3	-179.5	65.9	99.8	0	0	0	111.5	I445 I453 I455 Y457 L458 I465 L498 V499	I445-L467 HydrophobicContact CD1-CD2 3.43Å; I445-L467 VanDerWaalsContact CD1-CD2 3.43Å; I453-L467 HydrophobicContact CG2-CD1 4.39Å; I455-L467 HydrophobicContact CG1-CD1 4.34Å; Y457-L467 WeakPolarHBondContact O-CA 3.36Å; L458-L467 HydrophobicContact CB-CB 3.73Å; L458-L467 HydrophobicContact CD2-CB 4.48Å; I465-L467 HydrophobicContact CG2-CD2 4.48Å; L467-L498 WeakPolarHBondContact O-CA 3.13Å; L467-V499 HydrophobicContact CD1-CB 3.96Å; L467-V499 HydrophobicContact CD1-CG2 4.19Å; L467-V499 HydrophobicContact CD2-CB 4.5Å; L467-V499 HydrophobicContact CG-CB 4.01Å; L467-V499 PolarHBondContact N-O 3.03Å; L467-V499 PolarHBondContact O-N 2.91Å
468	T	94.7	Very high	79.5	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	142.8	171.3	58.8	0	0	0	0	109.9	L456 Y457 I497 L498 I569 F570 I572	L456-T468 PolarHBondContact N-O 2.83Å; Y457-T468 PolarHBondContact N-O 2.86Å; Y457-T468 PolarHBondContact O-N 2.84Å; Y457-T468 PolarHBondContact O-OG1 2.77Å; T468-I497 WeakPolarHBondContact CA-O 3.27Å; T468-L498 HydrophobicContact CG2-CD1 3.64Å; T468-I569 HydrophobicContact CG2-CD1 3.5Å; T468-I569 VanDerWaalsContact CG2-CD1 3.5Å; T468-I569 HydrophobicContact CG2-CG1 3.75Å; T468-F570 WeakPolarHBondContact CG2-O 3.45Å; T468-F570 PolarHBondContact OG1-O 3.02Å; T468-I572 HydrophobicContact CG2-CG2 3.4Å; T468-I572 VanDerWaalsContact CG2-CG2 3.4Å
469	G	91.7	Very high	76.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	179.3	176.3	0	0	0	0	0	113.1	K454 G496 I497 I569	K454-G469 CarbonylContact O-C 3.57Å; K454-G469 WeakPolarHBondContact O-CA 3.29Å; G469-G496 WeakPolarHBondContact O-CA 3.32Å; G469-I497 PolarHBondContact N-O 2.9Å; G469-I497 PolarHBondContact O-N 3.46Å; G469-I569 WeakPolarHBondContact O-CG2 3.34Å
470	I	91.6	Very high	73.9	Confident	10 Å²	10	49 Å²	49	5%	0.051	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	133.8	173.3	-67.3	171.5	0	0	0	109	K454 L456 E494 F495 P567	K454-I470 PolarHBondContact N-O 2.97Å; K454-I470 PolarHBondContact O-N 3.16Å; L456-I470 HydrophobicContact CD1-CD1 3.87Å; L456-I470 HydrophobicContact CD1-CG1 3.91Å; I470-E494 HydrophobicContact CG2-CB 3.8Å; I470-E494 HydrophobicContact CG2-CG 3.9Å; I470-F495 CarbonylContact C-O 3.49Å; I470-F495 VanDerWaalsContact CA-O 3.31Å; I470-F495 WeakPolarHBondContact CA-O 3.42Å; I470-P567 HydrophobicContact CD1-CB 4.32Å
471	I	90.4	Very high	71.4	Confident	13 Å²	13	56.7 Å²	56.7	7%	0.067	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133.7	167.3	-71.3	171.8	0	0	0	108.8	V447 I453 F495 I497	V447-I471 HydrophobicContact CB-CD1 4.27Å; I453-I471 HydrophobicContact CD1-CD1 4.32Å; I453-I471 HydrophobicContact CD1-CG1 4.34Å; I453-I471 HydrophobicContact CG1-CD1 4.24Å; I453-I471 HydrophobicContact CG1-CG1 3.76Å; I471-F495 PolarHBondContact N-O 3.42Å; I471-F495 PolarHBondContact O-N 3.36Å; I471-I497 HydrophobicContact CD1-CB 4.22Å; I471-I497 HydrophobicContact CD1-CD1 3.71Å; I471-I497 HydrophobicContact CD1-CG2 3.82Å; I471-I497 HydrophobicContact CG1-CG2 4.02Å
472	T	84.3	Confident	68.8	Low	61 Å²	61	62 Å²	62	37%	0.374	39%	0.386	S	S	.	.			trans	-104.9	128.7	158.7	47.2	0	0	0	0	109.3	N451 E494	N451-T472 WeakPolarHBondContact CB-O 3.22Å; N451-T472 PolarHBondContact N-O 3.34Å; N451-T472 PolarHBondContact ND2-O 2.84Å; N451-T472 PolarHBondContact ND2-OG1 2.83Å; T472-E494 HydrophobicContact CG2-CG 4.17Å
473	P	73.8	Confident	66.7	Low	55 Å²	55	70.3 Å²	70.3	36%	0.357	42%	0.418	S	S	.	.			trans	-62.4	152.8	176.3	26	-33.5	0	0	0	111.5	N451 T475 F495	N451-P473 PolarHBondContact ND2-O 2.87Å; P473-T475 PolarHBondContact O-N 3.34Å; P473-F495 HydrophobicContact CG-CE2 4.35Å
474	N	67.7	Low	64.3	Low	63 Å²	63	76.9 Å²	76.9	34%	0.337	44%	0.442	S	S	.	.			trans	-80	107.4	177.5	-93	-40.2	0	0	0	110.3	N449 S450 N451 S476	N449-N474 PolarHBondContact O-ND2 3.34Å; S450-N474 PolarHBondContact O-ND2 3.18Å; N451-N474 PolarHBondContact N-ND2 3.02Å; N451-N474 PolarHBondContact ND2-OD1 2.97Å; N451-N474 VanDerWaalsContact ND2-OD1 3.16Å; N451-N474 PolarHBondContact OD1-OD1 3.35Å; N474-S476 PolarHBondContact O-N 3.08Å
475	T	58.8	Low	61.7	Low	96 Å²	96	83.8 Å²	83.8	59%	0.589	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-75.2	-5.2	176.3	57.9	0	0	0	0	113.3	P473 T477	P473-T475 PolarHBondContact O-N 3.34Å; T475-T477 VanDerWaalsContact C-N 3.27Å; T475-T477 PolarHBondContact O-N 3.4Å
476	S	53.6	Low	59	Low	97 Å²	97	93.5 Å²	93.5	68%	0.678	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-77.3	-0.3	-167.4	-46.2	0	0	0	0	115.7	N474	N474-S476 PolarHBondContact O-N 3.08Å
477	T	42.8	Very low	56.2	Low	124 Å²	124	97.7 Å²	97.7	76%	0.761	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-122.7	0.3	-174.9	46.7	0	0	0	0	114.2	T475 S479	T475-T477 VanDerWaalsContact C-N 3.27Å; T475-T477 PolarHBondContact O-N 3.4Å; T477-S479 VanDerWaalsContact C-N 3.31Å; T477-S479 PolarHBondContact O-N 3.42Å
478	A	37	Very low	53.4	Low	82 Å²	82	105.8 Å²	105.8	68%	0.678	58%	0.584	S	S	*	*			trans	-92	33.3	-178.7	0	0	0	0	0	113.5
479	S	31	Very low	50.9	Low	102 Å²	102	111 Å²	111	71%	0.713	62%	0.621	S	S	*	*			trans	-110.8	48.5	-173.2	68.7	0	0	0	0	113.8	T477	T477-S479 VanDerWaalsContact C-N 3.31Å; T477-S479 PolarHBondContact O-N 3.42Å
480	T	32.8	Very low	48.6	Very low	132 Å²	132	116 Å²	116	81%	0.81	65%	0.647	S	S	*	*	S	Bend	trans	-169.2	94.8	160	21.1	0	0	0	0	109.9
481	L	34	Very low	46.3	Very low	173 Å²	173	122.2 Å²	122.2	91%	0.906	68%	0.675	S	S	*	*			trans	177.3	112.8	148.4	-101.3	166	0	0	0	107.5
482	D	30.8	Very low	44.5	Very low	157 Å²	157	130.6 Å²	130.6	84%	0.84	71%	0.712	S	S	*	*			trans	-85.8	121	179	-47.9	-86.2	0	0	0	110.5
483	E	38	Very low	43.8	Very low	199 Å²	199	130 Å²	130	93%	0.93	71%	0.71	S	S	*	*			trans	-162.8	138.7	155.3	-114.1	161.7	-146.8	0	0	110.4
484	E	31.3	Very low	44.4	Very low	201 Å²	201	130.9 Å²	130.9	94%	0.939	71%	0.709	S	S	*	*			trans	-98	85.7	-164.6	-62.3	-179	131.7	0	0	113.5
485	E	34.3	Very low	45.5	Very low	171 Å²	171	129.9 Å²	129.9	80%	0.799	70%	0.702	S	S	*	*			trans	-133.3	103.3	169.9	-72.9	-160.4	159.5	0	0	114.4	L487	E485-L487 VanDerWaalsContact C-N 3.32Å; E485-L487 WeakPolarHBondContact O-CB 3.43Å; E485-L487 PolarHBondContact O-N 3.46Å
486	E	32.8	Very low	47.2	Very low	205 Å²	205	125.3 Å²	125.3	96%	0.958	67%	0.674	S	S	*	*			trans	29.4	34.4	148.2	-144.9	171.8	-155.1	0	0	121.3
487	L	36.2	Very low	49.1	Very low	111 Å²	111	120.9 Å²	120.9	58%	0.581	64%	0.642	S	S	*	*			trans	-99.8	11.4	-172.2	-115.2	138.4	0	0	0	116.4	E485 S489 I490	E485-L487 VanDerWaalsContact C-N 3.32Å; E485-L487 WeakPolarHBondContact O-CB 3.43Å; E485-L487 PolarHBondContact O-N 3.46Å; L487-S489 PolarHBondContact O-N 3.3Å; L487-I490 HydrophobicContact CD2-CB 4.22Å; L487-I490 HydrophobicContact CD2-CD1 3.95Å; L487-I490 PolarHBondContact O-N 3.11Å
488	D	33.8	Very low	51.6	Low	169 Å²	169	115 Å²	115	90%	0.904	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	31.3	-161.5	-143.2	5.2	0	0	0	116.2
489	S	43.5	Very low	54.4	Low	111 Å²	111	111 Å²	111	78%	0.776	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.5	-8.9	179.9	61.7	0	0	0	0	116.2	L487	L487-S489 PolarHBondContact O-N 3.3Å
490	I	43	Very low	57.4	Low	105 Å²	105	106.4 Å²	106.4	54%	0.538	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-28.3	-172.9	-66.2	174.6	0	0	0	113	L487 K492 S493	L487-I490 HydrophobicContact CD2-CB 4.22Å; L487-I490 HydrophobicContact CD2-CD1 3.95Å; L487-I490 PolarHBondContact O-N 3.11Å; I490-K492 PolarHBondContact O-N 2.94Å; I490-S493 PolarHBondContact O-N 3.41Å; I490-S493 PolarHBondContact O-OG 2.84Å
491	E	41.8	Very low	60.3	Low	139 Å²	139	100.1 Å²	100.1	65%	0.65	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-2.3	-165.1	-63.8	-153.4	121.5	0	0	117.4
492	K	53.4	Low	63	Low	190 Å²	190	94 Å²	94	83%	0.826	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.4	34.4	177.5	-68.5	178.1	-175.9	159.6	0	113.1	I490 E494	I490-K492 PolarHBondContact O-N 2.94Å; K492-E494 PolarHBondContact O-N 2.65Å
493	S	70.1	Confident	65.5	Low	49 Å²	49	87.6 Å²	87.6	34%	0.343	44%	0.438	S	S	.	.			trans	-67	107.1	172.9	-62.9	0	0	0	0	111.2	I490 F495	I490-S493 PolarHBondContact O-N 3.41Å; I490-S493 PolarHBondContact O-OG 2.84Å; S493-F495 WeakPolarHBondContact O-CE2 3.29Å
494	E	85.7	Confident	67.4	Low	73 Å²	73	79.7 Å²	79.7	34%	0.341	41%	0.405	S	S	.	.			trans	-68.4	139.2	163.7	-74	-171.7	150.7	0	0	110	I470 T472 K492 I568	I470-E494 HydrophobicContact CG2-CB 3.8Å; I470-E494 HydrophobicContact CG2-CG 3.9Å; T472-E494 HydrophobicContact CG2-CG 4.17Å; K492-E494 PolarHBondContact O-N 2.65Å; E494-I568 HydrophobicContact CB-CD1 4.12Å; E494-I568 WeakPolarHBondContact O-CD1 3.19Å
495	F	90.9	Very high	68.6	Low	41 Å²	41	76.7 Å²	76.7	18%	0.18	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	135.6	175.8	-51.6	-62.8	0	0	0	111	I470 I471 P473 S493 L553 Y555	I470-F495 CarbonylContact C-O 3.49Å; I470-F495 VanDerWaalsContact CA-O 3.31Å; I470-F495 WeakPolarHBondContact CA-O 3.42Å; I471-F495 PolarHBondContact N-O 3.42Å; I471-F495 PolarHBondContact O-N 3.36Å; P473-F495 HydrophobicContact CG-CE2 4.35Å; S493-F495 WeakPolarHBondContact O-CE2 3.29Å; F495-L553 HydrophobicContact CB-CB 4.44Å; F495-L553 HydrophobicContact CB-CD1 4.28Å; F495-L553 HydrophobicContact CB-CD2 4.12Å; F495-L553 HydrophobicContact CD2-CD1 4.28Å; F495-L553 HydrophobicContact CG-CD1 4.14Å; F495-Y555 AromaticContact CD1-CD1 3.69Å; F495-Y555 HydrophobicContact CD1-CD1 3.69Å; F495-Y555 AromaticContact CD1-CE1 3.55Å; F495-Y555 HydrophobicContact CD1-CE1 3.55Å; F495-Y555 AromaticContact CE1-CD1 3.75Å; F495-Y555 HydrophobicContact CE1-CD1 3.75Å; F495-Y555 AromaticContact CE1-CE1 3.47Å; F495-Y555 HydrophobicContact CE1-CE1 3.47Å; F495-Y555 VanDerWaalsContact CE1-CE1 3.47Å
496	G	93.7	Very high	69.2	Low	0 Å²	0	73.9 Å²	73.9	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	146.6	169.2	0	0	0	0	0	111.3	G469 F554	G469-G496 WeakPolarHBondContact O-CA 3.32Å; G496-F554 PolarHBondContact N-O 3.42Å; G496-F554 PolarHBondContact O-N 2.76Å
497	I	95.1	Very high	69.6	Low	4 Å²	4	68.4 Å²	68.4	2%	0.021	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	148.3	175.2	-165.8	168	0	0	0	111	V447 I453 T468 G469 I471 V499 T550 L553	V447-I497 HydrophobicContact CG1-CD1 4.2Å; V447-I497 HydrophobicContact CG2-CD1 4.47Å; I453-I497 HydrophobicContact CD1-CG2 4.02Å; T468-I497 WeakPolarHBondContact CA-O 3.27Å; G469-I497 PolarHBondContact N-O 2.9Å; G469-I497 PolarHBondContact O-N 3.46Å; I471-I497 HydrophobicContact CD1-CB 4.22Å; I471-I497 HydrophobicContact CD1-CD1 3.71Å; I471-I497 HydrophobicContact CD1-CG2 3.82Å; I471-I497 HydrophobicContact CG1-CG2 4.02Å; I497-V499 HydrophobicContact CD1-CG2 4.24Å; I497-V499 HydrophobicContact CG1-CG2 4.17Å; I497-V499 HydrophobicContact CG2-CG2 4.05Å; I497-T550 HydrophobicContact CD1-CG2 4.12Å; I497-L553 HydrophobicContact CB-CD2 4.31Å; I497-L553 HydrophobicContact CD1-CD2 4.1Å; I497-L553 HydrophobicContact CG1-CD2 4.37Å
498	L	95.7	Very high	69.5	Low	0 Å²	0	70.5 Å²	70.5	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.2	160.3	-179.7	81.3	0	0	0	108.6	Y466 L467 T468 T550 S551 I572 I581 I583 L594 L599	Y466-L498 HydrophobicContact CD1-CD2 4.29Å; L467-L498 WeakPolarHBondContact O-CA 3.13Å; T468-L498 HydrophobicContact CG2-CD1 3.64Å; L498-T550 WeakPolarHBondContact O-CA 3.24Å; L498-S551 PolarHBondContact N-OG 2.84Å; L498-S551 PolarHBondContact O-N 2.86Å; L498-S551 PolarHBondContact O-OG 2.83Å; L498-I572 HydrophobicContact CD1-CD1 3.77Å; L498-I572 HydrophobicContact CD1-CG2 4.29Å; L498-I581 HydrophobicContact CD2-CD1 3.75Å; L498-I581 HydrophobicContact CD2-CG2 4.25Å; L498-I583 HydrophobicContact CD2-CD1 4.13Å; L498-L594 HydrophobicContact CD2-CD1 3.82Å; L498-L599 HydrophobicContact CD2-CD2 4.36Å
499	V	94.6	Very high	69.2	Low	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.7	174.8	-169.1	0	0	0	0	109.7	I445 V447 I453 Y466 L467 I497 I547 T550	I445-V499 HydrophobicContact CG2-CG1 4.47Å; V447-V499 HydrophobicContact CG2-CG2 4.17Å; I453-V499 HydrophobicContact CD1-CG2 3.55Å; Y466-V499 WeakPolarHBondContact CA-O 3.35Å; L467-V499 HydrophobicContact CD1-CB 3.96Å; L467-V499 HydrophobicContact CD1-CG2 4.19Å; L467-V499 HydrophobicContact CD2-CB 4.5Å; L467-V499 HydrophobicContact CG-CB 4.01Å; L467-V499 PolarHBondContact N-O 3.03Å; L467-V499 PolarHBondContact O-N 2.91Å; I497-V499 HydrophobicContact CD1-CG2 4.24Å; I497-V499 HydrophobicContact CG1-CG2 4.17Å; I497-V499 HydrophobicContact CG2-CG2 4.05Å; V499-I547 HydrophobicContact CG1-CB 4.4Å; V499-I547 HydrophobicContact CG1-CD1 4Å; V499-I547 HydrophobicContact CG1-CG1 3.95Å; V499-I547 HydrophobicContact CG1-CG2 3.68Å; V499-T550 HydrophobicContact CG1-CG2 4.19Å; V499-T550 HydrophobicContact CG2-CG2 4.27Å
500	C	94.4	Very high	68.6	Low	5 Å²	5	68.8 Å²	68.8	3%	0.034	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	118.7	-179.2	178.5	0	0	0	0	108.6	V464 I465 Y466 I548 A549 L599	V464-C500 WeakPolarHBondContact CG1-SG 3.33Å; I465-C500 WeakPolarHBondContact O-CA 3.37Å; Y466-C500 HydrophobicContact CD1-CB 3.92Å; Y466-C500 HydrophobicContact CE1-CB 3.68Å; Y466-C500 WeakPolarHBondContact CE1-SG 3.25Å; Y466-C500 VanDerWaalsContact CZ-SG 3.6Å; C500-I548 PolarHBondContact O-N 2.79Å; C500-A549 HydrophobicContact CB-CB 4.27Å; C500-A549 WeakPolarHBondContact CB-O 3.46Å; C500-A549 PolarHBondContact N-O 2.89Å; C500-A549 PolarHBondContact O-N 2.86Å; C500-L599 HydrophobicContact CB-CD1 4.02Å
501	C	92.8	Very high	67.8	Low	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	151.8	-175.4	-52.7	0	0	0	0	111.4	V464 I465 F545 P546	V464-C501 WeakPolarHBondContact CG1-O 3.4Å; I465-C501 PolarHBondContact N-O 3.14Å; I465-C501 PolarHBondContact O-N 2.86Å; C501-F545 HydrophobicContact CB-CB 4.39Å; C501-P546 VanDerWaalsContact CA-O 3.29Å; C501-P546 WeakPolarHBondContact CA-O 3.26Å
502	T	90.5	Very high	67.1	Low	44 Å²	44	72.4 Å²	72.4	27%	0.27	37%	0.372	S	S	.	.			trans	-90.4	179.2	160	67	0	0	0	0	110.9	F545 P546 I548	T502-F545 WeakPolarHBondContact O-CA 3.43Å; T502-P546 PolarHBondContact N-O 2.93Å; T502-P546 VanDerWaalsContact N-O 3.17Å; T502-P546 VanDerWaalsContact OG1-CG 3.32Å; T502-P546 WeakPolarHBondContact OG1-CG 3.4Å; T502-I548 HydrophobicContact CG2-CD1 3.43Å; T502-I548 VanDerWaalsContact CG2-CD1 3.43Å; T502-I548 HydrophobicContact CG2-CG1 3.88Å
503	I	84.4	Confident	65.8	Low	22 Å²	22	71.2 Å²	71.2	11%	0.113	38%	0.375	C	S	.	.			trans	-97.5	141.3	155.5	-58.7	163.2	0	0	0	106.7	F402 L415 F460 I465	F402-I503 HydrophobicContact CD1-CD1 4.49Å; L415-I503 HydrophobicContact CD1-CD1 4.13Å; L415-I503 HydrophobicContact CD2-CB 4.48Å; L415-I503 HydrophobicContact CD2-CD1 3.59Å; L415-I503 HydrophobicContact CD2-CG1 3.87Å; L415-I503 HydrophobicContact CD2-CG2 3.76Å; F460-I503 HydrophobicContact CE1-CD1 4.07Å; I465-I503 HydrophobicContact CD1-CD1 4.26Å; I465-I503 HydrophobicContact CD1-CG1 3.79Å
504	S	77.7	Confident	63.7	Low	34 Å²	34	74.2 Å²	74.2	24%	0.238	39%	0.391	C	S	.	.			trans	-81.8	115.7	170.5	-62.6	0	0	0	0	110.2	E506 N543 P544 P546	S504-E506 PolarHBondContact O-N 3.43Å; S504-N543 PolarHBondContact OG-O 2.9Å; S504-P544 PolarHBondContact N-O 3.21Å; S504-P546 WeakPolarHBondContact OG-CD 3.39Å
505	D	56.6	Low	60.9	Low	138 Å²	138	76.5 Å²	76.5	74%	0.738	41%	0.413	S	S	*	.			trans	-76.3	30.2	-176.5	-73.4	-50.8	0	0	0	114.6	D507	D505-D507 PolarHBondContact O-N 3.3Å
506	E	47.5	Very low	58	Low	112 Å²	112	80 Å²	80	52%	0.523	44%	0.437	S	S	.	.			trans	-74.7	76.1	169.8	-75.5	-165.3	-121.9	0	0	110.8	S504 H508 T542	S504-E506 PolarHBondContact O-N 3.43Å; E506-H508 PolarHBondContact O-N 3.14Å; E506-T542 PolarHBondContact OE1-OG1 2.9Å
507	D	40	Very low	54.7	Low	89 Å²	89	87.8 Å²	87.8	48%	0.476	48%	0.478	S	S	.	.			trans	-60.9	104	160.5	-92.6	-30.2	0	0	0	108.4	K417 D505 S509	K417-D507 IonicContact NZ-OD1 3.85Å; K417-D507 PolarHBondContact NZ-OD1 3.37Å; K417-D507 IonicContact NZ-OD2 2.72Å; K417-D507 PolarHBondContact NZ-OD2 2.87Å; D505-D507 PolarHBondContact O-N 3.3Å; D507-S509 PolarHBondContact O-N 2.89Å
508	H	34.8	Very low	51.6	Low	156 Å²	156	94.6 Å²	94.6	72%	0.722	51%	0.513	S	S	*	.			trans	-61.1	76.4	173.6	-75.6	-24.7	0	0	0	111.4	E506 N510	E506-H508 PolarHBondContact O-N 3.14Å; H508-N510 PolarHBondContact O-N 3.05Å
509	S	28.2	Very low	48.3	Very low	88 Å²	88	102.4 Å²	102.4	62%	0.615	56%	0.555	S	S	*	*			trans	-76.8	68.7	172.1	58	0	0	0	0	110.1	D507 K511	D507-S509 PolarHBondContact O-N 2.89Å; S509-K511 PolarHBondContact O-N 3.46Å
510	N	28.8	Very low	45.3	Very low	155 Å²	155	106 Å²	106	83%	0.829	59%	0.592	S	S	*	*			trans	-62.8	78	162.1	-83.5	8.1	0	0	0	109	H508	H508-N510 PolarHBondContact O-N 3.05Å
511	K	26.5	Very low	41.9	Very low	168 Å²	168	110.1 Å²	110.1	73%	0.73	64%	0.635	S	S	*	*			trans	-62.9	139.8	162.3	-69.8	171	-179.4	166.4	0	107.3	S509	S509-K511 PolarHBondContact O-N 3.46Å
512	N	26.8	Very low	38.9	Very low	153 Å²	153	114 Å²	114	82%	0.818	68%	0.675	S	S	*	*			trans	74.5	78.8	176.5	-42.5	-24.7	0	0	0	114.6
513	D	26.9	Very low	35.9	Very low	164 Å²	164	123 Å²	123	88%	0.877	70%	0.704	S	S	*	*			trans	-131.7	97.6	134.8	-115.2	-30.9	0	0	0	109.3
514	T	27.1	Very low	33.4	Very low	113 Å²	113	129 Å²	129	69%	0.693	74%	0.737	S	S	*	*			trans	-74.4	125.9	176.4	5.7	0	0	0	0	109.5	T516	T514-T516 VanDerWaalsContact C-N 3.29Å; T514-T516 PolarHBondContact O-N 2.79Å
515	P	26	Very low	31.1	Very low	121 Å²	121	134 Å²	134	79%	0.786	76%	0.761	S	S	*	*			trans	-75.5	80.6	177.9	31.2	-35.1	0	0	0	110.8	L517	P515-L517 PolarHBondContact O-N 2.87Å; P515-L517 VanDerWaalsContact O-N 3.13Å
516	T	28.9	Very low	30	Very low	113 Å²	113	134.9 Å²	134.9	69%	0.693	77%	0.765	S	S	*	*			trans	-68.5	104.3	171	39.7	0	0	0	0	109.9	T514 I518	T514-T516 VanDerWaalsContact C-N 3.29Å; T514-T516 PolarHBondContact O-N 2.79Å; T516-I518 PolarHBondContact O-N 3.35Å; T516-I518 VanDerWaalsContact O-N 3.17Å
517	L	24.7	Very low	29.1	Very low	164 Å²	164	136.7 Å²	136.7	86%	0.859	78%	0.779	S	S	*	*			trans	-61.6	118.2	168.4	-75.1	95	0	0	0	109.6	P515	P515-L517 PolarHBondContact O-N 2.87Å; P515-L517 VanDerWaalsContact O-N 3.13Å
518	I	31.1	Very low	28.7	Very low	147 Å²	147	140.7 Å²	140.7	75%	0.754	79%	0.794	S	S	*	*			trans	-121.5	107.5	164.4	-59.3	-177.5	0	0	0	108	T516	T516-I518 PolarHBondContact O-N 3.35Å; T516-I518 VanDerWaalsContact O-N 3.17Å
519	N	26.4	Very low	28.3	Very low	164 Å²	164	142.1 Å²	142.1	88%	0.877	80%	0.801	S	S	*	*			trans	-73.6	124.7	164.5	-78.9	-38.9	0	0	0	108.7
520	G	30.3	Very low	28.4	Very low	76 Å²	76	143.5 Å²	143.5	78%	0.784	81%	0.806	S	S	*	*			trans	-177.7	100.3	175.4	0	0	0	0	0	111.8
521	G	24.5	Very low	28.2	Very low	91 Å²	91	144.5 Å²	144.5	94%	0.938	81%	0.811	S	S	*	*			trans	-86	139.3	175.6	0	0	0	0	0	112
522	G	30.1	Very low	28.4	Very low	82 Å²	82	141.7 Å²	141.7	85%	0.845	81%	0.813	S	S	*	*			trans	-161	130	174.2	0	0	0	0	0	111.4
523	R	27	Very low	28.4	Very low	232 Å²	232	143 Å²	143	88%	0.875	81%	0.814	S	S	*	*			trans	-92.7	136.9	173	-66.5	167.3	154	166.2	-10.5	109.7
524	N	31.7	Very low	28.2	Very low	150 Å²	150	140.6 Å²	140.6	80%	0.802	81%	0.81	S	S	*	*				167.3	163.9	111.4	-88.6	-22	0	0	0	112.6
525	N	30	Very low	28.2	Very low	139 Å²	139	141.8 Å²	141.8	74%	0.743	81%	0.812	S	S	*	*			trans	-71.6	156.3	-179.9	-43.3	-23.3	0	0	0	112
526	N	32.2	Very low	28.2	Very low	155 Å²	155	144.7 Å²	144.7	83%	0.829	82%	0.815	S	S	*	*				-171.3	160.6	103.1	-92.8	-17.6	0	0	0	112.3
527	N	28.9	Very low	28	Very low	150 Å²	150	146 Å²	146	80%	0.802	82%	0.818	S	S	*	*			trans	-73	150.7	-179.6	-56.6	-13.9	0	0	0	111.4
528	H	31.8	Very low	28.2	Very low	174 Å²	174	144.9 Å²	144.9	81%	0.806	82%	0.818	S	S	*	*			trans	-146.3	120.9	141.5	-127.1	-66.9	0	0	0	110.8
529	E	25.4	Very low	28.1	Very low	186 Å²	186	142.9 Å²	142.9	87%	0.869	82%	0.817	S	S	*	*			trans	-80.9	135.1	159.9	-62.9	171.8	127.8	0	0	108
530	T	31.9	Very low	28.5	Very low	117 Å²	117	140.2 Å²	140.2	72%	0.718	81%	0.812	S	S	*	*			trans	-152.6	130.3	157.8	35.1	0	0	0	0	108.2
531	N	24.2	Very low	29.3	Very low	175 Å²	175	142 Å²	142	94%	0.936	81%	0.812	S	S	*	*			trans	-71.9	136.3	172.5	-63.8	-49.9	0	0	0	110.3
532	S	30.8	Very low	31.4	Very low	110 Å²	110	141.6 Å²	141.6	77%	0.769	79%	0.791	S	S	*	*			trans	-143.9	106.5	164.1	30.1	0	0	0	0	111
533	E	26.3	Very low	33.7	Very low	179 Å²	179	140.9 Å²	140.9	84%	0.836	77%	0.768	S	S	*	*			trans	0.9	129	161.8	-64	168	155.7	0	0	119.1	N535	E533-N535 PolarHBondContact O-N 3.03Å
534	S	24	Very low	36.6	Very low	115 Å²	115	131.1 Å²	131.1	80%	0.804	74%	0.735	S	S	*	*			trans	-71	84.1	174.9	55.8	0	0	0	0	112.6	Q536	S534-Q536 PolarHBondContact O-N 2.83Å; S534-Q536 VanDerWaalsContact O-N 3.12Å
535	N	26.3	Very low	39.3	Very low	137 Å²	137	124 Å²	124	73%	0.733	70%	0.697	S	S	*	*			trans	-67.2	106.6	166.3	-94.1	-46.3	0	0	0	110.5	E533 N537	E533-N535 PolarHBondContact O-N 3.03Å; N535-N537 PolarHBondContact O-N 2.88Å
536	Q	25.8	Very low	42.2	Very low	182 Å²	182	119.6 Å²	119.6	85%	0.85	68%	0.676	S	S	*	*			trans	-72.6	70.5	173.5	-69	-176.9	-18.3	0	0	111	S534 T538	S534-Q536 PolarHBondContact O-N 2.83Å; S534-Q536 VanDerWaalsContact O-N 3.12Å; Q536-T538 PolarHBondContact O-N 2.79Å
537	N	25.7	Very low	45	Very low	140 Å²	140	115.1 Å²	115.1	75%	0.749	65%	0.652	S	S	*	*			trans	-69.7	113.2	169.5	-80.1	-19.2	0	0	0	109.2	N535 S539	N535-N537 PolarHBondContact O-N 2.88Å; N537-S539 VanDerWaalsContact C-N 3.28Å; N537-S539 PolarHBondContact O-N 3.03Å
538	T	27.1	Very low	48	Very low	141 Å²	141	112.5 Å²	112.5	87%	0.865	64%	0.636	S	S	*	*			trans	-71.5	76.9	179.9	52.7	0	0	0	0	111.7	Q536 S540	Q536-T538 PolarHBondContact O-N 2.79Å; T538-S540 PolarHBondContact O-N 2.93Å
539	S	29.6	Very low	50.9	Low	105 Å²	105	106 Å²	106	73%	0.734	61%	0.613	S	S	*	*			trans	-68.3	107	161.3	53	0	0	0	0	108.5	N537 S541	N537-S539 VanDerWaalsContact C-N 3.28Å; N537-S539 PolarHBondContact O-N 3.03Å; S539-S541 VanDerWaalsContact C-N 3.28Å; S539-S541 PolarHBondContact O-N 3.14Å
540	S	34.7	Very low	54.2	Low	109 Å²	109	99.1 Å²	99.1	76%	0.762	58%	0.584	S	S	*	*			trans	-70.2	84.2	174.4	55.1	0	0	0	0	109.8	T538 T542	T538-S540 PolarHBondContact O-N 2.93Å; S540-T542 PolarHBondContact O-N 2.86Å
541	S	48.4	Very low	57.2	Low	112 Å²	112	94 Å²	94	78%	0.783	55%	0.553	S	S	*	*			trans	-62.5	104.2	174.4	55	0	0	0	0	109.1	S539 N543	S539-S541 VanDerWaalsContact C-N 3.28Å; S539-S541 PolarHBondContact O-N 3.14Å; S541-N543 PolarHBondContact O-N 3.07Å
542	T	66.7	Low	60.3	Low	83 Å²	83	87.5 Å²	87.5	51%	0.509	52%	0.521	S	S	.	.			trans	-59.7	121.4	177.6	34.9	0	0	0	0	108.9	E506 S540 P544	E506-T542 PolarHBondContact OE1-OG1 2.9Å; S540-T542 PolarHBondContact O-N 2.86Å; T542-P544 WeakPolarHBondContact O-CD 3.45Å
543	N	80.3	Confident	63.3	Low	67 Å²	67	85.2 Å²	85.2	36%	0.358	50%	0.5	S	S	.	.			trans	-60.9	124.4	179.4	179.7	2.7	0	0	0	108.4	S443 S504 S541 F545 P546	S443-N543 PolarHBondContact OG-OD1 3.33Å; S504-N543 PolarHBondContact OG-O 2.9Å; S541-N543 PolarHBondContact O-N 3.07Å; N543-F545 PolarHBondContact ND2-O 2.74Å; N543-F545 PolarHBondContact O-N 3.33Å; N543-F545 PolarHBondContact OD1-N 3.32Å; N543-F545 VanDerWaalsContact OD1-N 3.16Å; N543-P546 WeakPolarHBondContact O-CD 3.39Å
544	P	86.2	Confident	66.5	Low	28 Å²	28	76.9 Å²	76.9	18%	0.182	46%	0.461	C	S	.	.	S	Bend	trans	-68.2	-18.8	-177.9	24.7	-35	0	0	0	114.2	I441 S504 T542	I441-P544 HydrophobicContact CG2-CB 3.22Å; I441-P544 HydrophobicContact CG2-CG 3.74Å; S504-P544 PolarHBondContact N-O 3.21Å; T542-P544 WeakPolarHBondContact O-CD 3.45Å
545	F	89.2	Confident	69.8	Low	0 Å²	0	77.9 Å²	77.9	0%	0	45%	0.448	C	S	.	.	S	Bend	trans	-123.5	72.4	176.2	-50.1	-54.6	0	0	0	110	L413 L415 I441 I465 C501 T502 N543 I547	L413-F545 HydrophobicContact CB-CD2 4.15Å; L413-F545 HydrophobicContact CB-CE2 3.97Å; L413-F545 HydrophobicContact CD2-CD1 4.39Å; L413-F545 HydrophobicContact CD2-CD2 3.94Å; L413-F545 HydrophobicContact CD2-CE1 4.48Å; L413-F545 HydrophobicContact CD2-CE2 4.04Å; L413-F545 HydrophobicContact CD2-CG 4.14Å; L413-F545 HydrophobicContact CD2-CZ 4.32Å; L413-F545 HydrophobicContact CG-CD2 4.33Å; L413-F545 HydrophobicContact CG-CE2 4.03Å; L413-F545 HydrophobicContact CG-CZ 4.38Å; L413-F545 WeakPolarHBondContact O-CE2 3.43Å; L415-F545 HydrophobicContact CB-CE1 3.82Å; L415-F545 HydrophobicContact CB-CZ 3.62Å; L415-F545 HydrophobicContact CD2-CE1 4.13Å; I441-F545 HydrophobicContact CG2-CE1 4.42Å; I441-F545 HydrophobicContact CG2-CZ 3.99Å; I465-F545 HydrophobicContact CD1-CD1 4.35Å; C501-F545 HydrophobicContact CB-CB 4.39Å; T502-F545 WeakPolarHBondContact O-CA 3.43Å; N543-F545 PolarHBondContact ND2-O 2.74Å; N543-F545 PolarHBondContact O-N 3.33Å; N543-F545 PolarHBondContact OD1-N 3.32Å; N543-F545 VanDerWaalsContact OD1-N 3.16Å; F545-I547 PolarHBondContact O-N 2.89Å
546	P	90	Very high	73	Confident	46 Å²	46	73.2 Å²	73.2	30%	0.299	42%	0.42	S	S	.	.			trans	-68.5	134.1	179.7	30.7	-33.6	0	0	0	109.6	C501 T502 S504 N543	C501-P546 VanDerWaalsContact CA-O 3.29Å; C501-P546 WeakPolarHBondContact CA-O 3.26Å; T502-P546 PolarHBondContact N-O 2.93Å; T502-P546 VanDerWaalsContact N-O 3.17Å; T502-P546 VanDerWaalsContact OG1-CG 3.32Å; T502-P546 WeakPolarHBondContact OG1-CG 3.4Å; S504-P546 WeakPolarHBondContact OG-CD 3.39Å; N543-P546 WeakPolarHBondContact O-CD 3.39Å
547	I	91.3	Very high	76	Confident	62 Å²	62	66.8 Å²	66.8	32%	0.318	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	125.2	-178.8	-59.7	176.3	0	0	0	108.7	I445 I446 V447 V499 F545 T550	I445-I547 HydrophobicContact CG2-CD1 3.95Å; I445-I547 HydrophobicContact CG2-CG1 4.37Å; I446-I547 WeakPolarHBondContact O-CD1 3.19Å; V447-I547 HydrophobicContact CG2-CD1 3.73Å; V499-I547 HydrophobicContact CG1-CB 4.4Å; V499-I547 HydrophobicContact CG1-CD1 4Å; V499-I547 HydrophobicContact CG1-CG1 3.95Å; V499-I547 HydrophobicContact CG1-CG2 3.68Å; F545-I547 PolarHBondContact O-N 2.89Å; I547-T550 HydrophobicContact CG2-CG2 4.14Å
548	I	91.8	Very high	79	Confident	94 Å²	94	64.3 Å²	64.3	48%	0.482	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-44.5	175.3	-41.2	175.9	0	0	0	110	V464 C500 T502	V464-I548 HydrophobicContact CG1-CD1 3.94Å; V464-I548 HydrophobicContact CG2-CD1 3.99Å; C500-I548 PolarHBondContact O-N 2.79Å; T502-I548 HydrophobicContact CG2-CD1 3.43Å; T502-I548 VanDerWaalsContact CG2-CD1 3.43Å; T502-I548 HydrophobicContact CG2-CG1 3.88Å
549	A	92.9	Very high	82	Confident	37 Å²	37	59.5 Å²	59.5	31%	0.306	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	158.7	-174.6	0	0	0	0	0	111.9	C500 L599	C500-A549 HydrophobicContact CB-CB 4.27Å; C500-A549 WeakPolarHBondContact CB-O 3.46Å; C500-A549 PolarHBondContact N-O 2.89Å; C500-A549 PolarHBondContact O-N 2.86Å; A549-L599 HydrophobicContact CB-CD1 3.91Å
550	T	94.2	Very high	84.8	Confident	43 Å²	43	54.5 Å²	54.5	26%	0.264	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	156.5	173.5	47.1	0	0	0	0	109.9	V447 I497 L498 V499 I547	V447-T550 HydrophobicContact CG1-CG2 4.17Å; V447-T550 HydrophobicContact CG2-CG2 3.88Å; I497-T550 HydrophobicContact CD1-CG2 4.12Å; L498-T550 WeakPolarHBondContact O-CA 3.24Å; V499-T550 HydrophobicContact CG1-CG2 4.19Å; V499-T550 HydrophobicContact CG2-CG2 4.27Å; I547-T550 HydrophobicContact CG2-CG2 4.14Å
551	S	94.9	Very high	87.5	Confident	9 Å²	9	54.1 Å²	54.1	6%	0.063	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-82.5	171	168.7	68.2	0	0	0	0	112.3	L498 F554 L599	L498-S551 PolarHBondContact N-OG 2.84Å; L498-S551 PolarHBondContact O-N 2.86Å; L498-S551 PolarHBondContact O-OG 2.83Å; S551-F554 WeakPolarHBondContact OG-CE2 3.24Å; S551-L599 VanDerWaalsContact CA-O 3.23Å; S551-L599 WeakPolarHBondContact CA-O 3.23Å; S551-L599 WeakPolarHBondContact CB-O 3.45Å
552	S	91	Very high	89.4	Confident	39 Å²	39	56.9 Å²	56.9	27%	0.273	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-52.5	149.7	153.6	55.4	0	0	0	0	110.8	T600	S552-T600 WeakPolarHBondContact CB-O 3.34Å
553	L	92.8	Very high	90.5	Very high	61 Å²	61	54.4 Å²	54.4	32%	0.319	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-64.7	141.2	170.3	-64.1	179.2	0	0	0	110.8	F495 I497 Y555	F495-L553 HydrophobicContact CB-CB 4.44Å; F495-L553 HydrophobicContact CB-CD1 4.28Å; F495-L553 HydrophobicContact CB-CD2 4.12Å; F495-L553 HydrophobicContact CD2-CD1 4.28Å; F495-L553 HydrophobicContact CG-CD1 4.14Å; I497-L553 HydrophobicContact CB-CD2 4.31Å; I497-L553 HydrophobicContact CD1-CD2 4.1Å; I497-L553 HydrophobicContact CG1-CD2 4.37Å; L553-Y555 HydrophobicContact CB-CE2 3.84Å; L553-Y555 WeakPolarHBondContact O-CD2 3.45Å; L553-Y555 VanDerWaalsContact O-CE2 3.3Å; L553-Y555 WeakPolarHBondContact O-CE2 3.18Å
554	F	94.3	Very high	90.9	Very high	5 Å²	5	56.4 Å²	56.4	2%	0.022	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-98.9	130.7	172	-64.6	-86.4	0	0	0	109.3	G496 S551 I568 I569 I583 L594 I602	G496-F554 PolarHBondContact N-O 3.42Å; G496-F554 PolarHBondContact O-N 2.76Å; S551-F554 WeakPolarHBondContact OG-CE2 3.24Å; F554-I568 HydrophobicContact CB-CG2 4.02Å; F554-I569 HydrophobicContact CD2-CD1 3.77Å; F554-I569 HydrophobicContact CE2-CD1 3.75Å; F554-I569 HydrophobicContact CG-CD1 4.48Å; F554-I569 HydrophobicContact CZ-CD1 4.45Å; F554-I583 HydrophobicContact CE2-CD1 4.43Å; F554-I583 HydrophobicContact CZ-CD1 3.94Å; F554-L594 HydrophobicContact CZ-CD1 4.44Å; F554-L594 HydrophobicContact CZ-CD2 4.44Å; F554-I602 HydrophobicContact CD1-CD1 4.46Å; F554-I602 HydrophobicContact CE1-CD1 3.94Å; F554-I602 HydrophobicContact CE1-CG1 4.37Å
555	Y	93.2	Very high	91.1	Very high	135 Å²	135	61.3 Å²	61.3	53%	0.529	32%	0.316	S	S	.	.			trans	-111.5	159	-176.7	-59.3	-93	0	0	0	110.3	F495 L553 N588	F495-Y555 AromaticContact CD1-CD1 3.69Å; F495-Y555 HydrophobicContact CD1-CD1 3.69Å; F495-Y555 AromaticContact CD1-CE1 3.55Å; F495-Y555 HydrophobicContact CD1-CE1 3.55Å; F495-Y555 AromaticContact CE1-CD1 3.75Å; F495-Y555 HydrophobicContact CE1-CD1 3.75Å; F495-Y555 AromaticContact CE1-CE1 3.47Å; F495-Y555 HydrophobicContact CE1-CE1 3.47Å; F495-Y555 VanDerWaalsContact CE1-CE1 3.47Å; L553-Y555 HydrophobicContact CB-CE2 3.84Å; L553-Y555 WeakPolarHBondContact O-CD2 3.45Å; L553-Y555 VanDerWaalsContact O-CE2 3.3Å; L553-Y555 WeakPolarHBondContact O-CE2 3.18Å; Y555-N588 PolarHBondContact O-ND2 3.05Å
556	R	92.6	Very high	91.2	Very high	39 Å²	39	61.7 Å²	61.7	15%	0.147	32%	0.318	C	S	.	.			trans	-72.3	130.6	165.3	-69.7	178.3	-178.6	-82.6	-1.6	109.3	G560 L561 R563 Q564 Q566 I568 N588	R556-G560 WeakPolarHBondContact CD-O 3.31Å; R556-G560 PolarHBondContact NH1-O 3.49Å; R556-L561 HydrophobicContact CB-CD2 4.11Å; R556-L561 HydrophobicContact CB-CG 4.15Å; R556-R563 PolarHBondContact NH1-O 2.85Å; R556-Q564 VanDerWaalsContact NE-OE1 3.12Å; R556-Q564 PolarHBondContact NH2-O 3.31Å; R556-Q566 PolarHBondContact NH1-O 2.86Å; R556-Q566 VanDerWaalsContact NH1-O 3.08Å; R556-Q566 PolarHBondContact NH2-O 3.17Å; R556-I568 HydrophobicContact CG-CD1 3.95Å; R556-I568 HydrophobicContact CG-CG1 3.81Å; R556-N588 WeakPolarHBondContact CA-OD1 3.07Å
557	D	89.7	Confident	91.3	Very high	47 Å²	47	60.4 Å²	60.4	25%	0.251	31%	0.309	S	S	.	.			trans	-88.1	-171.7	166.2	76.2	3	0	0	0	110.9	V559 G560 L561 N588	D557-V559 PolarHBondContact O-N 2.98Å; D557-V559 WeakPolarHBondContact OD1-CA 3.31Å; D557-V559 WeakPolarHBondContact OD1-CB 3.35Å; D557-V559 PolarHBondContact OD1-N 3.45Å; D557-G560 CarbonylContact O-C 3.44Å; D557-G560 PolarHBondContact O-N 3.31Å; D557-G560 VanDerWaalsContact O-N 3.12Å; D557-G560 PolarHBondContact OD1-N 2.91Å; D557-L561 WeakPolarHBondContact O-CB 3.43Å; D557-L561 VanDerWaalsContact O-CG 3.3Å; D557-L561 WeakPolarHBondContact O-CG 3.41Å; D557-L561 PolarHBondContact O-N 2.89Å; D557-N588 PolarHBondContact N-OD1 2.95Å; D557-N588 PolarHBondContact OD1-OD1 2.9Å
558	N	88.7	Confident	91.5	Very high	88 Å²	88	57.4 Å²	57.4	47%	0.471	29%	0.294	S	S	.	.	H	α-helix	trans	-54.4	-37	177.2	-71.6	80.4	0	0	0	113.4	R130 E562	R130-N558 PolarHBondContact NH1-OD1 3.01Å; R130-N558 PolarHBondContact NH2-ND2 3.21Å; R130-N558 PolarHBondContact NH2-OD1 2.89Å; N558-E562 PolarHBondContact O-N 2.65Å
559	V	89.7	Confident	91.7	Very high	41 Å²	41	53 Å²	53	25%	0.248	27%	0.271	C	S	.	.	H	α-helix	trans	-74.7	-42.2	178	-177.1	0	0	0	0	109.6	D557 L561 E562 R563 A589 P611	D557-V559 PolarHBondContact O-N 2.98Å; D557-V559 WeakPolarHBondContact OD1-CA 3.31Å; D557-V559 WeakPolarHBondContact OD1-CB 3.35Å; D557-V559 PolarHBondContact OD1-N 3.45Å; V559-L561 VanDerWaalsContact C-N 3.27Å; V559-L561 PolarHBondContact O-N 2.99Å; V559-E562 PolarHBondContact O-N 2.83Å; V559-R563 WeakPolarHBondContact O-CB 3.46Å; V559-R563 VanDerWaalsContact O-CG 3.29Å; V559-R563 WeakPolarHBondContact O-CG 3.21Å; V559-R563 PolarHBondContact O-N 3.29Å; V559-R563 VanDerWaalsContact O-N 3.17Å; V559-A589 HydrophobicContact CG1-CB 4.29Å; V559-P611 HydrophobicContact CG1-CB 3.79Å; V559-P611 HydrophobicContact CG2-CB 4.47Å
560	G	88.6	Confident	91.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.5	-30.3	175.1	0	0	0	0	0	114.4	R556 D557 R563 N588	R556-G560 WeakPolarHBondContact CD-O 3.31Å; R556-G560 PolarHBondContact NH1-O 3.49Å; D557-G560 CarbonylContact O-C 3.44Å; D557-G560 PolarHBondContact O-N 3.31Å; D557-G560 VanDerWaalsContact O-N 3.12Å; D557-G560 PolarHBondContact OD1-N 2.91Å; G560-R563 CarbonylContact O-C 3.52Å; G560-R563 PolarHBondContact O-N 2.77Å; G560-N588 WeakPolarHBondContact CA-OD1 3.11Å
561	L	90.1	Very high	91.8	Very high	100 Å²	100	50.6 Å²	50.6	52%	0.524	25%	0.251	S	S	.	.	H	α-helix	trans	-72.1	-33	176.7	-75.4	173.3	0	0	0	112.9	R556 D557 V559 R563 Q564	R556-L561 HydrophobicContact CB-CD2 4.11Å; R556-L561 HydrophobicContact CB-CG 4.15Å; D557-L561 WeakPolarHBondContact O-CB 3.43Å; D557-L561 VanDerWaalsContact O-CG 3.3Å; D557-L561 WeakPolarHBondContact O-CG 3.41Å; D557-L561 PolarHBondContact O-N 2.89Å; V559-L561 VanDerWaalsContact C-N 3.27Å; V559-L561 PolarHBondContact O-N 2.99Å; L561-R563 VanDerWaalsContact C-N 3.32Å; L561-Q564 WeakPolarHBondContact O-CG 3.33Å; L561-Q564 PolarHBondContact O-NE2 3.01Å
562	E	89.8	Confident	91.9	Very high	170 Å²	170	50.2 Å²	50.2	79%	0.794	25%	0.248	S	C	*	.	H	α-helix	trans	-74.7	-24.7	171.4	-67.9	177.5	-168.3	0	0	111.8	N558 V559	N558-E562 PolarHBondContact O-N 2.65Å; V559-E562 PolarHBondContact O-N 2.83Å
563	R	89.1	Confident	92.1	Very high	31 Å²	31	48.7 Å²	48.7	12%	0.117	24%	0.236	C	C	.	.			trans	-108.5	50.8	-171.6	-59.3	176.7	83.4	-142.8	6.2	112.5	R556 V559 G560 L561 N565 Q566 P586 A587 P611 Q612 L613 S614	R556-R563 PolarHBondContact NH1-O 2.85Å; V559-R563 WeakPolarHBondContact O-CB 3.46Å; V559-R563 VanDerWaalsContact O-CG 3.29Å; V559-R563 WeakPolarHBondContact O-CG 3.21Å; V559-R563 PolarHBondContact O-N 3.29Å; V559-R563 VanDerWaalsContact O-N 3.17Å; G560-R563 CarbonylContact O-C 3.52Å; G560-R563 PolarHBondContact O-N 2.77Å; L561-R563 VanDerWaalsContact C-N 3.32Å; R563-N565 PolarHBondContact O-N 3.37Å; R563-N565 VanDerWaalsContact O-N 3.16Å; R563-Q566 HydrophobicContact CB-CB 4.37Å; R563-Q566 HydrophobicContact CB-CG 4.1Å; R563-Q566 WeakPolarHBondContact O-CB 3.41Å; R563-Q566 PolarHBondContact O-N 3.28Å; R563-P586 PolarHBondContact NH1-O 2.68Å; R563-A587 PolarHBondContact NH1-O 2.74Å; R563-P611 PolarHBondContact NE-O 3.42Å; R563-P611 PolarHBondContact NH1-O 3.08Å; R563-Q612 PolarHBondContact NH2-O 3.01Å; R563-L613 PolarHBondContact NH1-O 2.85Å; R563-L613 PolarHBondContact NH2-O 2.85Å; R563-S614 VanDerWaalsContact CZ-OG 3.27Å; R563-S614 PolarHBondContact NH1-OG 3.3Å; R563-S614 PolarHBondContact NH2-OG 3.01Å
564	Q	89	Confident	92.1	Very high	109 Å²	109	45.9 Å²	45.9	51%	0.509	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.4	-177.8	-62.6	-64.3	-13.5	0	0	114.3	R556 L561 Q566	R556-Q564 VanDerWaalsContact NE-OE1 3.12Å; R556-Q564 PolarHBondContact NH2-O 3.31Å; L561-Q564 WeakPolarHBondContact O-CG 3.33Å; L561-Q564 PolarHBondContact O-NE2 3.01Å; Q564-Q566 PolarHBondContact O-N 3.3Å
565	N	89.8	Confident	92	Very high	131 Å²	131	46.2 Å²	46.2	70%	0.701	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-15.1	175.8	67.8	-53	0	0	0	114	R563	R563-N565 PolarHBondContact O-N 3.37Å; R563-N565 VanDerWaalsContact O-N 3.16Å
566	Q	92.1	Very high	91.6	Very high	9 Å²	9	43.4 Å²	43.4	4%	0.042	22%	0.215	C	C	.	.	S	Bend	trans	-94.3	139.9	176.4	-59.7	-68.3	-1.9	0	0	109.6	R556 R563 Q564 P586 A587 S614 Y616	R556-Q566 PolarHBondContact NH1-O 2.86Å; R556-Q566 VanDerWaalsContact NH1-O 3.08Å; R556-Q566 PolarHBondContact NH2-O 3.17Å; R563-Q566 HydrophobicContact CB-CB 4.37Å; R563-Q566 HydrophobicContact CB-CG 4.1Å; R563-Q566 WeakPolarHBondContact O-CB 3.41Å; R563-Q566 PolarHBondContact O-N 3.28Å; Q564-Q566 PolarHBondContact O-N 3.3Å; Q566-P586 HydrophobicContact CB-CB 4.41Å; Q566-A587 HydrophobicContact CB-CB 3.97Å; Q566-S614 WeakPolarHBondContact CG-OG 3.48Å; Q566-S614 PolarHBondContact NE2-OG 2.82Å; Q566-S614 PolarHBondContact OE1-OG 2.98Å; Q566-Y616 VanDerWaalsContact OE1-CE2 3.22Å; Q566-Y616 PolarHBondContact OE1-OH 2.63Å
567	P	92.7	Very high	91.3	Very high	18 Å²	18	45.6 Å²	45.6	12%	0.117	23%	0.233	C	C	.	.			trans	-74.7	152.1	175.2	27.9	-28.5	0	0	0	111.4	L456 I470 F570 P586 A587 Y616	L456-P567 HydrophobicContact CD1-CB 3.78Å; I470-P567 HydrophobicContact CD1-CB 4.32Å; P567-F570 HydrophobicContact CG-CD2 3.92Å; P567-P586 HydrophobicContact CG-CB 4.45Å; P567-P586 HydrophobicContact CG-CG 4.11Å; P567-P586 WeakPolarHBondContact O-CD 3.41Å; P567-A587 WeakPolarHBondContact O-CB 3.4Å; P567-A587 PolarHBondContact O-N 2.7Å; P567-Y616 VanDerWaalsContact CD-OH 3.3Å; P567-Y616 WeakPolarHBondContact CD-OH 3.47Å; P567-Y616 HydrophobicContact CG-CE1 4.04Å
568	I	94.9	Very high	91.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-67.1	-39.6	-174.8	-52.5	177.5	0	0	0	111.2	E494 F554 R556 Q585	E494-I568 HydrophobicContact CB-CD1 4.12Å; E494-I568 WeakPolarHBondContact O-CD1 3.19Å; F554-I568 HydrophobicContact CB-CG2 4.02Å; R556-I568 HydrophobicContact CG-CD1 3.95Å; R556-I568 HydrophobicContact CG-CG1 3.81Å; I568-Q585 VanDerWaalsContact O-CA 3.25Å; I568-Q585 WeakPolarHBondContact O-CA 3.12Å; I568-Q585 VanDerWaalsContact O-CB 3.29Å; I568-Q585 WeakPolarHBondContact O-CB 3.34Å
569	I	95.8	Very high	91.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-134.2	146.1	179.6	-172.4	170.1	0	0	0	108.6	L456 T468 G469 F554 I583	L456-I569 VanDerWaalsContact CD1-O 3.31Å; L456-I569 WeakPolarHBondContact CD1-O 3.3Å; T468-I569 HydrophobicContact CG2-CD1 3.5Å; T468-I569 VanDerWaalsContact CG2-CD1 3.5Å; T468-I569 HydrophobicContact CG2-CG1 3.75Å; G469-I569 WeakPolarHBondContact O-CG2 3.34Å; F554-I569 HydrophobicContact CD2-CD1 3.77Å; F554-I569 HydrophobicContact CE2-CD1 3.75Å; F554-I569 HydrophobicContact CG-CD1 4.48Å; F554-I569 HydrophobicContact CZ-CD1 4.45Å; I569-I583 HydrophobicContact CD1-CG2 3.57Å; I569-I583 HydrophobicContact CG1-CG2 3.56Å
570	F	95.3	Very high	91.7	Very high	31 Å²	31	41.3 Å²	41.3	14%	0.136	21%	0.211	C	C	.	.			trans	-144.3	-105.9	172.8	-157.1	-89.5	0	0	0	112.7	L456 Y457 T468 P567 A584 P586 Y616 F617	L456-F570 HydrophobicContact CB-CD2 3.89Å; L456-F570 HydrophobicContact CB-CE2 3.93Å; L456-F570 HydrophobicContact CD1-CD2 4.27Å; Y457-F570 HydrophobicContact CD2-CD1 4.43Å; Y457-F570 AromaticContact CD2-CE1 3.99Å; Y457-F570 HydrophobicContact CD2-CE1 3.99Å; Y457-F570 HydrophobicContact CG-CE1 4.48Å; T468-F570 WeakPolarHBondContact CG2-O 3.45Å; T468-F570 PolarHBondContact OG1-O 3.02Å; P567-F570 HydrophobicContact CG-CD2 3.92Å; F570-A584 PolarHBondContact N-O 3.3Å; F570-P586 HydrophobicContact CB-CG 3.58Å; F570-Y616 HydrophobicContact CB-CD1 4.21Å; F570-Y616 AromaticContact CD1-CD1 3.59Å; F570-Y616 HydrophobicContact CD1-CD1 3.59Å; F570-Y616 HydrophobicContact CD1-CE1 4.35Å; F570-Y616 HydrophobicContact CD1-CG 4.48Å; F570-Y616 AromaticContact CD2-CD1 3.98Å; F570-Y616 HydrophobicContact CD2-CD1 3.98Å; F570-Y616 AromaticContact CD2-CE1 3.92Å; F570-Y616 HydrophobicContact CD2-CE1 3.92Å; F570-Y616 AromaticContact CE1-CD1 3.9Å; F570-Y616 HydrophobicContact CE1-CD1 3.9Å; F570-Y616 HydrophobicContact CE2-CD1 4.25Å; F570-Y616 HydrophobicContact CE2-CE1 4.13Å; F570-Y616 AromaticContact CG-CD1 3.64Å; F570-Y616 HydrophobicContact CG-CD1 3.64Å; F570-Y616 HydrophobicContact CG-CE1 4.04Å; F570-Y616 HydrophobicContact CZ-CD1 4.22Å; F570-Y616 HydrophobicContact CZ-CE1 4.45Å; F570-F617 HydrophobicContact CD1-CD1 4.44Å; F570-F617 HydrophobicContact CD1-CE1 4.41Å; F570-F617 HydrophobicContact CE1-CD1 4.03Å; F570-F617 AromaticContact CE1-CE1 3.58Å; F570-F617 HydrophobicContact CE1-CE1 3.58Å; F570-F617 HydrophobicContact CE1-CZ 4.04Å; F570-F617 HydrophobicContact CZ-CE1 4.47Å
571	G	94.3	Very high	92.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.			trans	-72.1	148	-168.8	0	0	0	0	0	113.1	A584 Y616 L618	G571-A584 PolarHBondContact O-N 3.01Å; G571-Y616 WeakPolarHBondContact CA-O 3.11Å; G571-Y616 PolarHBondContact N-O 2.77Å; G571-L618 WeakPolarHBondContact O-CD2 2.99Å
572	I	95.9	Very high	92.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	154.7	175.1	71.3	-176.1	0	0	0	111.3	Y457 R459 T468 L498 I581 Y582 I583	Y457-I572 HydrophobicContact CD1-CG1 4.1Å; Y457-I572 HydrophobicContact CE1-CG1 4.16Å; Y457-I572 WeakPolarHBondContact CE1-O 3.45Å; R459-I572 HydrophobicContact CB-CD1 4.25Å; R459-I572 HydrophobicContact CB-CG1 4.19Å; R459-I572 HydrophobicContact CG-CD1 4.22Å; R459-I572 HydrophobicContact CG-CG1 3.62Å; R459-I572 PolarHBondContact NE-O 3.08Å; R459-I572 PolarHBondContact NH2-O 3.16Å; T468-I572 HydrophobicContact CG2-CG2 3.4Å; T468-I572 VanDerWaalsContact CG2-CG2 3.4Å; L498-I572 HydrophobicContact CD1-CD1 3.77Å; L498-I572 HydrophobicContact CD1-CG2 4.29Å; I572-I581 HydrophobicContact CB-CG2 4.27Å; I572-Y582 WeakPolarHBondContact CA-O 3.37Å; I572-I583 HydrophobicContact CG2-CB 4.33Å; I572-I583 HydrophobicContact CG2-CG1 3.94Å; I572-I583 HydrophobicContact CG2-CG2 4.24Å
573	D	95.3	Very high	92.8	Very high	7 Å²	7	28.6 Å²	28.6	4%	0.037	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	153.7	164.8	-158.1	40.8	0	0	0	109.5	R459 Y582 L618 C619 L620	R459-D573 IonicContact CZ-OD1 3.16Å; R459-D573 IonicContact NE-OD1 2.78Å; R459-D573 IonicContact NH2-OD1 2.7Å; R459-D573 PolarHBondContact NH2-OD1 2.65Å; D573-Y582 PolarHBondContact N-O 3.48Å; D573-Y582 PolarHBondContact O-N 2.77Å; D573-L618 HydrophobicContact CB-CD1 3.5Å; D573-L618 HydrophobicContact CB-CG 4.32Å; D573-C619 WeakPolarHBondContact OD2-CA 3.46Å; D573-L620 PolarHBondContact OD2-N 2.83Å
574	I	93.7	Very high	93.2	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	128.3	-166.5	-56.3	168.3	0	0	0	109.1	R459 H461 Y466 H576 I581	R459-I574 HydrophobicContact CB-CD1 4.15Å; H461-I574 HydrophobicContact CB-CD1 3.74Å; H461-I574 HydrophobicContact CB-CG2 4.43Å; H461-I574 WeakPolarHBondContact CD2-CG2 3.33Å; Y466-I574 HydrophobicContact CD2-CD1 3.47Å; Y466-I574 VanDerWaalsContact CD2-CD1 3.47Å; Y466-I574 HydrophobicContact CE2-CD1 4.06Å; Y466-I574 HydrophobicContact CG-CD1 3.94Å; I574-H576 PolarHBondContact O-CD2 2.78Å; I574-H576 PolarHBondContact O-N 3.15Å; I574-I581 HydrophobicContact CG1-CG1 4.34Å; I574-I581 HydrophobicContact CG1-CG2 4.28Å
575	D	92.1	Very high	93.6	Very high	13 Å²	13	22.4 Å²	22.4	7%	0.07	12%	0.121	C	C	.	.			trans	-71.5	101.6	174.5	177.5	-18.6	0	0	0	109.9	T577 N578 G579 D580 Y582 L620	D575-T577 PolarHBondContact O-N 2.78Å; D575-T577 PolarHBondContact OD1-N 2.64Å; D575-T577 PolarHBondContact OD1-OG1 3.46Å; D575-N578 WeakPolarHBondContact CB-OD1 3.4Å; D575-N578 PolarHBondContact O-N 2.68Å; D575-N578 VanDerWaalsContact O-N 3.15Å; D575-N578 PolarHBondContact O-OD1 2.9Å; D575-N578 PolarHBondContact OD2-ND2 3.47Å; D575-N578 PolarHBondContact OD2-OD1 2.83Å; D575-G579 WeakPolarHBondContact O-CA 3.41Å; D575-G579 PolarHBondContact O-N 3.18Å; D575-D580 HydrophobicContact CB-CB 4.4Å; D575-D580 PolarHBondContact N-O 3.4Å; D575-Y582 HydrophobicContact CB-CE2 4.4Å; D575-L620 HydrophobicContact CB-CD2 3.57Å
576	H	84.8	Confident	93.9	Very high	75 Å²	75	16.1 Å²	16.1	35%	0.347	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	11.3	179.4	-60.1	-76.4	0	0	0	116.3	H461 I574 Y717	H461-H576 AromaticContact CD2-CE1 2.86Å; H461-H576 PolarHBondContact CD2-CE1 3.03Å; H461-H576 AromaticContact CD2-ND1 3.44Å; H461-H576 PolarHBondContact CD2-ND1 3.36Å; H461-H576 AromaticContact CD2-NE2 3.78Å; H461-H576 AromaticContact CG-CE1 3.94Å; H461-H576 AromaticContact NE2-CE1 3.07Å; H461-H576 PolarHBondContact NE2-CE1 2.9Å; H461-H576 AromaticContact NE2-ND1 3.78Å; I574-H576 PolarHBondContact O-CD2 2.78Å; I574-H576 PolarHBondContact O-N 3.15Å; H576-Y717 AromaticContact CD2-CE2 3.84Å; H576-Y717 AromaticContact CD2-CZ 3.53Å; H576-Y717 PolarHBondContact CD2-OH 2.91Å; H576-Y717 AromaticContact NE2-CD2 3.76Å; H576-Y717 AromaticContact NE2-CE2 3.44Å; H576-Y717 WeakPolarHBondContact NE2-CE2 3.12Å
577	T	85.4	Confident	94	Very high	86 Å²	86	15.7 Å²	15.7	53%	0.528	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-11.3	171.9	34	0	0	0	0	116.5	D575 K622	D575-T577 PolarHBondContact O-N 2.78Å; D575-T577 PolarHBondContact OD1-N 2.64Å; D575-T577 PolarHBondContact OD1-OG1 3.46Å; T577-K622 VanDerWaalsContact OG1-CE 3.31Å; T577-K622 WeakPolarHBondContact OG1-CE 3.42Å; T577-K622 PolarHBondContact OG1-NZ 2.96Å
578	N	90.4	Very high	94	Very high	71 Å²	71	15.2 Å²	15.2	38%	0.38	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.4	-11.6	172.8	54.1	34	0	0	0	112.6	D575 D580 S596	D575-N578 WeakPolarHBondContact CB-OD1 3.4Å; D575-N578 PolarHBondContact O-N 2.68Å; D575-N578 VanDerWaalsContact O-N 3.15Å; D575-N578 PolarHBondContact O-OD1 2.9Å; D575-N578 PolarHBondContact OD2-ND2 3.47Å; D575-N578 PolarHBondContact OD2-OD1 2.83Å; N578-D580 VanDerWaalsContact C-N 3.3Å; N578-D580 WeakPolarHBondContact OD1-CB 3.37Å; N578-D580 PolarHBondContact OD1-N 3.04Å; N578-S596 WeakPolarHBondContact O-CB 3.4Å; N578-S596 PolarHBondContact O-OG 2.35Å
579	G	91.2	Very high	94	Very high	9 Å²	9	15.4 Å²	15.4	9%	0.093	8%	0.083	C	C	.	.			trans	77.7	6	-175.6	0	0	0	0	0	114.5	D575 I581 S596	D575-G579 WeakPolarHBondContact O-CA 3.41Å; D575-G579 PolarHBondContact O-N 3.18Å; G579-I581 VanDerWaalsContact O-CG1 3.31Å; G579-I581 WeakPolarHBondContact O-CG1 3.44Å; G579-I581 PolarHBondContact O-N 3.03Å; G579-S596 WeakPolarHBondContact O-CB 3.44Å
580	D	95.1	Very high	93.9	Very high	5 Å²	5	15.9 Å²	15.9	3%	0.027	9%	0.086	C	C	.	.			trans	-60.7	134.7	179.4	-75.2	-0.9	0	0	0	110.2	D575 N578 Y582 R593 K595	D575-D580 HydrophobicContact CB-CB 4.4Å; D575-D580 PolarHBondContact N-O 3.4Å; N578-D580 VanDerWaalsContact C-N 3.3Å; N578-D580 WeakPolarHBondContact OD1-CB 3.37Å; N578-D580 PolarHBondContact OD1-N 3.04Å; D580-Y582 HydrophobicContact CB-CE2 4.37Å; D580-R593 HydrophobicContact CB-CG 4.25Å; D580-R593 IonicContact OD2-NE 3.26Å; D580-K595 WeakPolarHBondContact OD1-CD 3.35Å; D580-K595 IonicContact OD1-NZ 3.53Å; D580-K595 PolarHBondContact OD1-NZ 2.7Å; D580-K595 IonicContact OD2-NZ 3.01Å; D580-K595 PolarHBondContact OD2-NZ 2.4Å
581	I	96.8	Very high	94	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119.7	-170.1	-48.6	-177.6	0	0	0	108.9	Y466 L498 I572 I574 G579 I583 R593 L594 L599	Y466-I581 HydrophobicContact CD1-CD1 3.52Å; Y466-I581 HydrophobicContact CE1-CD1 3.31Å; Y466-I581 HydrophobicContact CG-CD1 4.28Å; L498-I581 HydrophobicContact CD2-CD1 3.75Å; L498-I581 HydrophobicContact CD2-CG2 4.25Å; I572-I581 HydrophobicContact CB-CG2 4.27Å; I574-I581 HydrophobicContact CG1-CG1 4.34Å; I574-I581 HydrophobicContact CG1-CG2 4.28Å; G579-I581 VanDerWaalsContact O-CG1 3.31Å; G579-I581 WeakPolarHBondContact O-CG1 3.44Å; G579-I581 PolarHBondContact O-N 3.03Å; I581-I583 HydrophobicContact CG2-CD1 4.34Å; I581-I583 HydrophobicContact CG2-CG1 3.91Å; I581-R593 CarbonylContact O-C 3.54Å; I581-R593 VanDerWaalsContact O-CA 3.31Å; I581-R593 WeakPolarHBondContact O-CA 3.32Å; I581-L594 PolarHBondContact N-O 3.38Å; I581-L594 PolarHBondContact O-N 2.95Å; I581-L599 HydrophobicContact CD1-CD2 3.7Å
582	Y	97.5	Very high	94.1	Very high	4 Å²	4	14.4 Å²	14.4	2%	0.016	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	130.3	174	-66	-97.6	0	0	0	108.7	I572 D573 D575 D580 C592 R593 W606 L620 V627 I642	I572-Y582 WeakPolarHBondContact CA-O 3.37Å; D573-Y582 PolarHBondContact N-O 3.48Å; D573-Y582 PolarHBondContact O-N 2.77Å; D575-Y582 HydrophobicContact CB-CE2 4.4Å; D580-Y582 HydrophobicContact CB-CE2 4.37Å; Y582-C592 WeakPolarHBondContact CA-O 3.41Å; Y582-R593 HydrophobicContact CD1-CB 4.38Å; Y582-R593 HydrophobicContact CE1-CB 4.3Å; Y582-R593 HydrophobicContact CE1-CG 4.29Å; Y582-R593 WeakPolarHBondContact OH-CD 3.43Å; Y582-R593 PolarHBondContact OH-NH1 2.85Å; Y582-W606 HydrophobicContact CD1-CH2 4.35Å; Y582-W606 HydrophobicContact CD1-CZ3 4.12Å; Y582-W606 AromaticContact CE1-CH2 3.82Å; Y582-W606 HydrophobicContact CE1-CH2 3.82Å; Y582-W606 HydrophobicContact CE1-CZ3 4.06Å; Y582-L620 HydrophobicContact CD2-CD2 4.35Å; Y582-L620 HydrophobicContact CE2-CD1 4.27Å; Y582-L620 HydrophobicContact CE2-CD2 3.84Å; Y582-V627 HydrophobicContact CD1-CG2 3.62Å; Y582-V627 HydrophobicContact CE1-CG2 3.89Å; Y582-V627 HydrophobicContact CG-CG2 4.27Å; Y582-I642 HydrophobicContact CE1-CD1 4.09Å
583	I	97.9	Very high	94.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	128.7	-168.9	-56.5	-179.8	0	0	0	109.4	L498 F554 I569 I572 I581 I591 C592 L594	L498-I583 HydrophobicContact CD2-CD1 4.13Å; F554-I583 HydrophobicContact CE2-CD1 4.43Å; F554-I583 HydrophobicContact CZ-CD1 3.94Å; I569-I583 HydrophobicContact CD1-CG2 3.57Å; I569-I583 HydrophobicContact CG1-CG2 3.56Å; I572-I583 HydrophobicContact CG2-CB 4.33Å; I572-I583 HydrophobicContact CG2-CG1 3.94Å; I572-I583 HydrophobicContact CG2-CG2 4.24Å; I581-I583 HydrophobicContact CG2-CD1 4.34Å; I581-I583 HydrophobicContact CG2-CG1 3.91Å; I583-I591 CarbonylContact O-C 3.48Å; I583-I591 WeakPolarHBondContact O-CA 3.3Å; I583-C592 PolarHBondContact N-O 2.9Å; I583-C592 PolarHBondContact O-N 3.45Å; I583-L594 HydrophobicContact CD1-CD1 3.61Å; I583-L594 HydrophobicContact CD1-CG 3.74Å
584	A	97.6	Very high	94.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	137.2	169.7	0	0	0	0	0	111.6	F570 G571 P586 P615 L618	F570-A584 PolarHBondContact N-O 3.3Å; G571-A584 PolarHBondContact O-N 3.01Å; A584-P586 WeakPolarHBondContact O-CD 3.47Å; A584-P615 HydrophobicContact CB-CB 4.16Å; A584-P615 HydrophobicContact CB-CG 4.42Å; A584-P615 WeakPolarHBondContact CB-O 3.45Å; A584-L618 HydrophobicContact CB-CD2 3.75Å
585	Q	96.4	Very high	94.3	Very high	9 Å²	9	18.2 Å²	18.2	4%	0.042	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	89.3	170.5	-63	-179.2	32.9	0	0	108.9	I568 A587 N588 A589 M590 C592	I568-Q585 VanDerWaalsContact O-CA 3.25Å; I568-Q585 WeakPolarHBondContact O-CA 3.12Å; I568-Q585 VanDerWaalsContact O-CB 3.29Å; I568-Q585 WeakPolarHBondContact O-CB 3.34Å; Q585-A587 VanDerWaalsContact C-N 3.35Å; Q585-A587 PolarHBondContact O-N 2.78Å; Q585-N588 HydrophobicContact CB-CB 4.31Å; Q585-N588 PolarHBondContact O-N 2.76Å; Q585-N588 PolarHBondContact OE1-ND2 2.84Å; Q585-A589 PolarHBondContact O-N 3.26Å; Q585-M590 HydrophobicContact CB-CG 3.74Å; Q585-M590 HydrophobicContact CG-CG 4.15Å; Q585-M590 PolarHBondContact N-O 3.34Å; Q585-M590 PolarHBondContact O-N 3.19Å; Q585-M590 PolarHBondContact OE1-SD 3.02Å; Q585-M590 VanDerWaalsContact OE1-SD 3.34Å; Q585-C592 PolarHBondContact NE2-SG 3.04Å
586	P	96	Very high	94.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-42.1	-173.6	-22.1	28.1	0	0	0	113.4	R563 Q566 P567 F570 A584 S614 P615 Y616	R563-P586 PolarHBondContact NH1-O 2.68Å; Q566-P586 HydrophobicContact CB-CB 4.41Å; P567-P586 HydrophobicContact CG-CB 4.45Å; P567-P586 HydrophobicContact CG-CG 4.11Å; P567-P586 WeakPolarHBondContact O-CD 3.41Å; F570-P586 HydrophobicContact CB-CG 3.58Å; A584-P586 WeakPolarHBondContact O-CD 3.47Å; P586-S614 PolarHBondContact O-OG 3.26Å; P586-P615 VanDerWaalsContact CG-O 3.26Å; P586-P615 WeakPolarHBondContact CG-O 3.24Å; P586-Y616 HydrophobicContact CB-CD2 4.26Å; P586-Y616 HydrophobicContact CB-CE2 4.12Å; P586-Y616 HydrophobicContact CG-CD1 4.41Å; P586-Y616 HydrophobicContact CG-CD2 4.46Å; P586-Y616 HydrophobicContact CG-CE1 4.49Å; P586-Y616 HydrophobicContact CG-CG 4.4Å
587	A	94	Very high	94.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-52.6	-179.5	0	0	0	0	0	112.5	R563 Q566 P567 Q585 A589	R563-A587 PolarHBondContact NH1-O 2.74Å; Q566-A587 HydrophobicContact CB-CB 3.97Å; P567-A587 WeakPolarHBondContact O-CB 3.4Å; P567-A587 PolarHBondContact O-N 2.7Å; Q585-A587 VanDerWaalsContact C-N 3.35Å; Q585-A587 PolarHBondContact O-N 2.78Å; A587-A589 PolarHBondContact O-N 2.86Å; A587-A589 VanDerWaalsContact O-N 3.17Å
588	N	93.9	Very high	94.9	Very high	8 Å²	8	20.9 Å²	20.9	4%	0.043	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	5.1	-175.5	-55	-20.6	0	0	0	113.5	Y555 R556 D557 G560 Q585 M590	Y555-N588 PolarHBondContact O-ND2 3.05Å; R556-N588 WeakPolarHBondContact CA-OD1 3.07Å; D557-N588 PolarHBondContact N-OD1 2.95Å; D557-N588 PolarHBondContact OD1-OD1 2.9Å; G560-N588 WeakPolarHBondContact CA-OD1 3.11Å; Q585-N588 HydrophobicContact CB-CB 4.31Å; Q585-N588 PolarHBondContact O-N 2.76Å; Q585-N588 PolarHBondContact OE1-ND2 2.84Å; N588-M590 HydrophobicContact CB-CE 3.71Å; N588-M590 HydrophobicContact CB-CG 4.08Å; N588-M590 HydrophobicContact CB-SD 4.27Å; N588-M590 PolarHBondContact O-N 3.02Å
589	A	94.4	Very high	95	Very high	3 Å²	3	18 Å²	18	3%	0.025	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	51.8	-177.3	0	0	0	0	0	113	V559 Q585 A587 L608 L613	V559-A589 HydrophobicContact CG1-CB 4.29Å; Q585-A589 PolarHBondContact O-N 3.26Å; A587-A589 PolarHBondContact O-N 2.86Å; A587-A589 VanDerWaalsContact O-N 3.17Å; A589-L608 HydrophobicContact CB-CB 4.42Å; A589-L608 WeakPolarHBondContact O-CB 3.38Å; A589-L608 VanDerWaalsContact O-CG 3.23Å; A589-L608 WeakPolarHBondContact O-CG 3.38Å; A589-L608 PolarHBondContact O-N 3.25Å; A589-L613 WeakPolarHBondContact CB-O 3.5Å
590	M	94.7	Very high	95.1	Very high	10 Å²	10	22.2 Å²	22.2	5%	0.049	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	165.4	-179.2	69.4	178.6	63	0	0	113.9	Q585 N588 T605 W606 Y607	Q585-M590 HydrophobicContact CB-CG 3.74Å; Q585-M590 HydrophobicContact CG-CG 4.15Å; Q585-M590 PolarHBondContact N-O 3.34Å; Q585-M590 PolarHBondContact O-N 3.19Å; Q585-M590 PolarHBondContact OE1-SD 3.02Å; Q585-M590 VanDerWaalsContact OE1-SD 3.34Å; N588-M590 HydrophobicContact CB-CE 3.71Å; N588-M590 HydrophobicContact CB-CG 4.08Å; N588-M590 HydrophobicContact CB-SD 4.27Å; N588-M590 PolarHBondContact O-N 3.02Å; M590-T605 HydrophobicContact CB-CG2 4.47Å; M590-T605 HydrophobicContact CG-CG2 4.46Å; M590-T605 HydrophobicContact SD-CG2 3.58Å; M590-T605 VanDerWaalsContact SD-CG2 3.58Å; M590-W606 WeakPolarHBondContact CA-O 3.48Å; M590-W606 WeakPolarHBondContact CB-O 3.45Å; M590-Y607 HydrophobicContact CE-CD1 3.57Å; M590-Y607 HydrophobicContact CE-CE1 3.36Å; M590-Y607 HydrophobicContact SD-CE1 4.45Å
591	I	97.1	Very high	94.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141.9	167.8	-60.8	176	0	0	0	107.5	I583 W606 P615 V627 A629 L638 L640	I583-I591 CarbonylContact O-C 3.48Å; I583-I591 WeakPolarHBondContact O-CA 3.3Å; I591-W606 HydrophobicContact CG2-CE3 4.28Å; I591-W606 PolarHBondContact N-O 3.34Å; I591-W606 PolarHBondContact O-N 2.87Å; I591-P615 HydrophobicContact CD1-CB 4.43Å; I591-P615 HydrophobicContact CG1-CB 4.25Å; I591-P615 HydrophobicContact CG1-CG 4.24Å; I591-V627 HydrophobicContact CD1-CG1 4.29Å; I591-A629 HydrophobicContact CD1-CB 3.96Å; I591-L638 HydrophobicContact CD1-CD2 4.21Å; I591-L640 HydrophobicContact CB-CD2 4.37Å; I591-L640 HydrophobicContact CD1-CD2 4.24Å; I591-L640 HydrophobicContact CG2-CD2 4.46Å
592	C	96.6	Very high	94.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	163.8	173.5	66.3	0	0	0	0	112.4	Y582 I583 Q585 I602 R604 T605	Y582-C592 WeakPolarHBondContact CA-O 3.41Å; I583-C592 PolarHBondContact N-O 2.9Å; I583-C592 PolarHBondContact O-N 3.45Å; Q585-C592 PolarHBondContact NE2-SG 3.04Å; C592-I602 HydrophobicContact CB-CG2 3.94Å; C592-R604 CarbonylContact C-O 3.48Å; C592-R604 VanDerWaalsContact CA-O 3.26Å; C592-R604 WeakPolarHBondContact CA-O 3.16Å; C592-R604 WeakPolarHBondContact CB-O 3.21Å; C592-T605 HydrophobicContact CB-CG2 4.44Å
593	R	97.2	Very high	94.7	Very high	37 Å²	37	34.7 Å²	34.7	14%	0.14	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.2	174.8	-176.4	171.9	71.3	-168.3	4.3	111	D580 I581 Y582 D603 R604 W606	D580-R593 HydrophobicContact CB-CG 4.25Å; D580-R593 IonicContact OD2-NE 3.26Å; I581-R593 CarbonylContact O-C 3.54Å; I581-R593 VanDerWaalsContact O-CA 3.31Å; I581-R593 WeakPolarHBondContact O-CA 3.32Å; Y582-R593 HydrophobicContact CD1-CB 4.38Å; Y582-R593 HydrophobicContact CE1-CB 4.3Å; Y582-R593 HydrophobicContact CE1-CG 4.29Å; Y582-R593 WeakPolarHBondContact OH-CD 3.43Å; Y582-R593 PolarHBondContact OH-NH1 2.85Å; R593-D603 IonicContact CZ-OD2 3.3Å; R593-D603 IonicContact NE-OD2 3.49Å; R593-D603 PolarHBondContact NE-OD2 2.86Å; R593-D603 IonicContact NH2-OD2 3.67Å; R593-D603 PolarHBondContact NH2-OD2 3.44Å; R593-D603 PolarHBondContact O-N 3.07Å; R593-R604 HydrophobicContact CB-CB 4.44Å; R593-R604 PolarHBondContact N-O 2.88Å; R593-R604 PolarHBondContact O-N 2.9Å; R593-W606 HydrophobicContact CB-CH2 4.15Å; R593-W606 HydrophobicContact CB-CZ3 3.97Å
594	L	97.2	Very high	94.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	155.5	163.5	-53.9	-174.2	0	0	0	109.9	L498 F554 I581 I583 L599 I602	L498-L594 HydrophobicContact CD2-CD1 3.82Å; F554-L594 HydrophobicContact CZ-CD1 4.44Å; F554-L594 HydrophobicContact CZ-CD2 4.44Å; I581-L594 PolarHBondContact N-O 3.38Å; I581-L594 PolarHBondContact O-N 2.95Å; I583-L594 HydrophobicContact CD1-CD1 3.61Å; I583-L594 HydrophobicContact CD1-CG 3.74Å; L594-L599 HydrophobicContact CB-CD2 4.25Å; L594-L599 HydrophobicContact CD1-CB 4.42Å; L594-L599 HydrophobicContact CD1-CD2 4.24Å; L594-I602 HydrophobicContact CD2-CB 4.3Å; L594-I602 HydrophobicContact CD2-CG1 3.85Å
595	K	94.7	Very high	94.4	Very high	53 Å²	53	40.4 Å²	40.4	23%	0.23	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	142.1	172.9	-71.6	-57.1	-165.9	173.4	0	111.2	D580 N597 D598 D603	D580-K595 WeakPolarHBondContact OD1-CD 3.35Å; D580-K595 IonicContact OD1-NZ 3.53Å; D580-K595 PolarHBondContact OD1-NZ 2.7Å; D580-K595 IonicContact OD2-NZ 3.01Å; D580-K595 PolarHBondContact OD2-NZ 2.4Å; K595-N597 WeakPolarHBondContact CB-OD1 3.42Å; K595-N597 PolarHBondContact O-N 2.72Å; K595-N597 VanDerWaalsContact O-N 3.16Å; K595-D598 CarbonylContact O-C 3.56Å; K595-D598 PolarHBondContact O-N 2.93Å; K595-D598 VanDerWaalsContact O-N 3.08Å; K595-D598 VanDerWaalsContact O-O 3.14Å; K595-D603 HydrophobicContact CD-CB 4.44Å; K595-D603 VanDerWaalsContact CE-CG 3.48Å; K595-D603 WeakPolarHBondContact CE-OD1 3.49Å; K595-D603 HydrophobicContact CG-CB 3.88Å
596	S	90.6	Very high	94.4	Very high	55 Å²	55	40.7 Å²	40.7	39%	0.385	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.8	177.7	54.2	0	0	0	0	114.5	N578 G579	N578-S596 WeakPolarHBondContact O-CB 3.4Å; N578-S596 PolarHBondContact O-OG 2.35Å; G579-S596 WeakPolarHBondContact O-CB 3.44Å
597	N	90.7	Very high	94.1	Very high	139 Å²	139	47.4 Å²	47.4	74%	0.743	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-5.4	179.7	69.8	-28.2	0	0	0	114.2	K595	K595-N597 WeakPolarHBondContact CB-OD1 3.42Å; K595-N597 PolarHBondContact O-N 2.72Å; K595-N597 VanDerWaalsContact O-N 3.16Å
598	D	92.7	Very high	93.9	Very high	35 Å²	35	47.9 Å²	47.9	19%	0.187	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	90.5	179.1	-178.2	4	0	0	0	109.5	K595 T600 R601	K595-D598 CarbonylContact O-C 3.56Å; K595-D598 PolarHBondContact O-N 2.93Å; K595-D598 VanDerWaalsContact O-N 3.08Å; K595-D598 VanDerWaalsContact O-O 3.14Å; D598-T600 WeakPolarHBondContact OD1-CB 3.44Å; D598-T600 PolarHBondContact OD1-N 3.5Å; D598-T600 PolarHBondContact OD1-OG1 2.86Å; D598-R601 PolarHBondContact OD1-N 2.79Å; D598-R601 IonicContact OD2-CZ 2.65Å; D598-R601 IonicContact OD2-NH1 3.84Å; D598-R601 PolarHBondContact OD2-NH1 3.16Å; D598-R601 IonicContact OD2-NH2 3.82Å
599	L	93.5	Very high	93.2	Very high	11 Å²	11	50.5 Å²	50.5	6%	0.058	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-14.5	173.2	-58.3	-176.9	0	0	0	112.4	Y466 L498 C500 A549 S551 I581 L594 R601	Y466-L599 HydrophobicContact CE1-CD1 4.3Å; L498-L599 HydrophobicContact CD2-CD2 4.36Å; C500-L599 HydrophobicContact CB-CD1 4.02Å; A549-L599 HydrophobicContact CB-CD1 3.91Å; S551-L599 VanDerWaalsContact CA-O 3.23Å; S551-L599 WeakPolarHBondContact CA-O 3.23Å; S551-L599 WeakPolarHBondContact CB-O 3.45Å; I581-L599 HydrophobicContact CD1-CD2 3.7Å; L594-L599 HydrophobicContact CB-CD2 4.25Å; L594-L599 HydrophobicContact CD1-CB 4.42Å; L594-L599 HydrophobicContact CD1-CD2 4.24Å; L599-R601 VanDerWaalsContact C-N 3.3Å; L599-R601 PolarHBondContact O-N 2.67Å
600	T	92.1	Very high	92.7	Very high	97 Å²	97	52.2 Å²	52.2	60%	0.595	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	-15.7	-174.4	74.8	0	0	0	0	112.8	S552 D598	S552-T600 WeakPolarHBondContact CB-O 3.34Å; D598-T600 WeakPolarHBondContact OD1-CB 3.44Å; D598-T600 PolarHBondContact OD1-N 3.5Å; D598-T600 PolarHBondContact OD1-OG1 2.86Å
601	R	92.2	Very high	91.7	Very high	150 Å²	150	54.9 Å²	54.9	57%	0.566	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	126.9	-179.2	-164.5	178.1	70.2	-115	-4.8	112.2	D598 L599 D603	D598-R601 PolarHBondContact OD1-N 2.79Å; D598-R601 IonicContact OD2-CZ 2.65Å; D598-R601 IonicContact OD2-NH1 3.84Å; D598-R601 PolarHBondContact OD2-NH1 3.16Å; D598-R601 IonicContact OD2-NH2 3.82Å; L599-R601 VanDerWaalsContact C-N 3.3Å; L599-R601 PolarHBondContact O-N 2.67Å; R601-D603 PolarHBondContact O-N 2.91Å
602	I	93.8	Very high	91.2	Very high	63 Å²	63	59.2 Å²	59.2	32%	0.323	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	126.8	169.2	-56.4	173.1	0	0	0	109.3	F554 C592 L594 T605	F554-I602 HydrophobicContact CD1-CD1 4.46Å; F554-I602 HydrophobicContact CE1-CD1 3.94Å; F554-I602 HydrophobicContact CE1-CG1 4.37Å; C592-I602 HydrophobicContact CB-CG2 3.94Å; L594-I602 HydrophobicContact CD2-CB 4.3Å; L594-I602 HydrophobicContact CD2-CG1 3.85Å; I602-T605 WeakPolarHBondContact CG2-OG1 3.2Å
603	D	94.8	Very high	91	Very high	59 Å²	59	59.2 Å²	59.2	32%	0.316	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-33.9	-174.9	170	90.5	0	0	0	112.6	R593 K595 R601	R593-D603 IonicContact CZ-OD2 3.3Å; R593-D603 IonicContact NE-OD2 3.49Å; R593-D603 PolarHBondContact NE-OD2 2.86Å; R593-D603 IonicContact NH2-OD2 3.67Å; R593-D603 PolarHBondContact NH2-OD2 3.44Å; R593-D603 PolarHBondContact O-N 3.07Å; K595-D603 HydrophobicContact CD-CB 4.44Å; K595-D603 VanDerWaalsContact CE-CG 3.48Å; K595-D603 WeakPolarHBondContact CE-OD1 3.49Å; K595-D603 HydrophobicContact CG-CB 3.88Å; R601-D603 PolarHBondContact O-N 2.91Å
604	R	94.9	Very high	90.9	Very high	77 Å²	77	57.5 Å²	57.5	29%	0.291	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	147.8	174.2	-151.5	164.1	-178.5	-160.7	11.9	110.7	C592 R593 W606 I642 D645	C592-R604 CarbonylContact C-O 3.48Å; C592-R604 VanDerWaalsContact CA-O 3.26Å; C592-R604 WeakPolarHBondContact CA-O 3.16Å; C592-R604 WeakPolarHBondContact CB-O 3.21Å; R593-R604 HydrophobicContact CB-CB 4.44Å; R593-R604 PolarHBondContact N-O 2.88Å; R593-R604 PolarHBondContact O-N 2.9Å; R604-W606 HydrophobicContact CB-CH2 3.98Å; R604-W606 HydrophobicContact CB-CZ2 4.18Å; R604-W606 HydrophobicContact CB-CZ3 4.33Å; R604-W606 VanDerWaalsContact CD-CZ2 3.49Å; R604-W606 HydrophobicContact CG-CH2 4.16Å; R604-W606 HydrophobicContact CG-CZ2 3.83Å; R604-I642 PolarHBondContact NH1-O 2.92Å; R604-D645 IonicContact CZ-OD1 3.29Å; R604-D645 IonicContact CZ-OD2 2.73Å; R604-D645 IonicContact NE-OD1 3.37Å; R604-D645 PolarHBondContact NE-OD1 2.7Å; R604-D645 IonicContact NE-OD2 3.07Å; R604-D645 IonicContact NH1-OD1 3.78Å; R604-D645 IonicContact NH2-OD1 2.85Å; R604-D645 PolarHBondContact NH2-OD1 2.84Å; R604-D645 IonicContact NH2-OD2 3.83Å; R604-D645 PolarHBondContact NH2-OD2 2.71Å
605	T	95.2	Very high	90.9	Very high	43 Å²	43	57.5 Å²	57.5	26%	0.264	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	135.8	178.7	-55.7	0	0	0	0	110	M590 C592 I602 Y607	M590-T605 HydrophobicContact CB-CG2 4.47Å; M590-T605 HydrophobicContact CG-CG2 4.46Å; M590-T605 HydrophobicContact SD-CG2 3.58Å; M590-T605 VanDerWaalsContact SD-CG2 3.58Å; C592-T605 HydrophobicContact CB-CG2 4.44Å; I602-T605 WeakPolarHBondContact CG2-OG1 3.2Å; T605-Y607 HydrophobicContact CG2-CD2 4.16Å; T605-Y607 HydrophobicContact CG2-CE2 3.74Å
606	W	95.2	Very high	91	Very high	14 Å²	14	56.9 Å²	56.9	5%	0.053	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	103.2	177	-60.8	-83.8	0	0	0	109.5	Y582 M590 I591 R593 R604 L640 I642 D645	Y582-W606 HydrophobicContact CD1-CH2 4.35Å; Y582-W606 HydrophobicContact CD1-CZ3 4.12Å; Y582-W606 AromaticContact CE1-CH2 3.82Å; Y582-W606 HydrophobicContact CE1-CH2 3.82Å; Y582-W606 HydrophobicContact CE1-CZ3 4.06Å; M590-W606 WeakPolarHBondContact CA-O 3.48Å; M590-W606 WeakPolarHBondContact CB-O 3.45Å; I591-W606 HydrophobicContact CG2-CE3 4.28Å; I591-W606 PolarHBondContact N-O 3.34Å; I591-W606 PolarHBondContact O-N 2.87Å; R593-W606 HydrophobicContact CB-CH2 4.15Å; R593-W606 HydrophobicContact CB-CZ3 3.97Å; R604-W606 HydrophobicContact CB-CH2 3.98Å; R604-W606 HydrophobicContact CB-CZ2 4.18Å; R604-W606 HydrophobicContact CB-CZ3 4.33Å; R604-W606 VanDerWaalsContact CD-CZ2 3.49Å; R604-W606 HydrophobicContact CG-CH2 4.16Å; R604-W606 HydrophobicContact CG-CZ2 3.83Å; W606-L640 HydrophobicContact CB-CD1 4.09Å; W606-L640 HydrophobicContact CB-CD2 3.81Å; W606-L640 HydrophobicContact CD2-CD2 3.68Å; W606-L640 HydrophobicContact CE3-CD2 3.93Å; W606-L640 HydrophobicContact CG-CD1 3.87Å; W606-L640 HydrophobicContact CG-CD2 3.65Å; W606-L640 HydrophobicContact CG-CG 4.33Å; W606-I642 HydrophobicContact CZ2-CG2 4.21Å; W606-D645 PolarHBondContact NE1-OD1 3.49Å
607	Y	91.7	Very high	91.2	Very high	141 Å²	141	56.2 Å²	56.2	55%	0.553	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	133.5	174.9	-61.6	-96.6	0	0	0	109.8	M590 T605	M590-Y607 HydrophobicContact CE-CD1 3.57Å; M590-Y607 HydrophobicContact CE-CE1 3.36Å; M590-Y607 HydrophobicContact SD-CE1 4.45Å; T605-Y607 HydrophobicContact CG2-CD2 4.16Å; T605-Y607 HydrophobicContact CG2-CE2 3.74Å
608	L	88.9	Confident	91.5	Very high	10 Å²	10	49.6 Å²	49.6	5%	0.052	24%	0.238	C	C	.	.			trans	-88.2	113.5	171.6	-52.8	-176.6	0	0	0	108.7	A589 D610 L613 P615 L638 Y647	A589-L608 HydrophobicContact CB-CB 4.42Å; A589-L608 WeakPolarHBondContact O-CB 3.38Å; A589-L608 VanDerWaalsContact O-CG 3.23Å; A589-L608 WeakPolarHBondContact O-CG 3.38Å; A589-L608 PolarHBondContact O-N 3.25Å; L608-D610 PolarHBondContact O-N 2.78Å; L608-L613 HydrophobicContact CB-CD1 4.45Å; L608-L613 HydrophobicContact CD1-CB 3.88Å; L608-L613 HydrophobicContact CD1-CD1 4.08Å; L608-P615 HydrophobicContact CD1-CG 4Å; L608-L638 HydrophobicContact CD1-CD1 3.71Å; L608-L638 HydrophobicContact CD2-CD1 3.59Å; L608-L638 HydrophobicContact CD2-CD2 4.45Å; L608-L638 HydrophobicContact CG-CD1 4.25Å; L608-Y647 HydrophobicContact CB-CE1 4.35Å; L608-Y647 HydrophobicContact CD2-CD1 3.79Å; L608-Y647 HydrophobicContact CD2-CD2 4.38Å; L608-Y647 HydrophobicContact CD2-CE1 3.86Å; L608-Y647 HydrophobicContact CD2-CE2 4.43Å; L608-Y647 HydrophobicContact CD2-CG 4.06Å
609	N	79	Confident	91.6	Very high	63 Å²	63	47.9 Å²	47.9	34%	0.337	23%	0.229	S	C	.	.	S	Bend	trans	-68.6	0.8	178.2	-65.1	-50.4	0	0	0	113.7	Q197 Y647	Q197-N609 WeakPolarHBondContact CB-ND2 3.45Å; Q197-N609 PolarHBondContact OE1-ND2 2.85Å; N609-Y647 PolarHBondContact N-OH 3.04Å
610	D	83	Confident	91.8	Very high	39 Å²	39	47.7 Å²	47.7	21%	0.209	23%	0.228	C	C	.	.			trans	-110	94.7	165	-178.4	4.4	0	0	0	108.7	L608 Q612 L613 Y647 H649	L608-D610 PolarHBondContact O-N 2.78Å; D610-Q612 PolarHBondContact O-N 2.9Å; D610-Q612 VanDerWaalsContact O-N 3.09Å; D610-Q612 WeakPolarHBondContact OD1-CB 3.31Å; D610-Q612 PolarHBondContact OD1-N 3.43Å; D610-L613 HydrophobicContact CB-CD1 3.95Å; D610-L613 HydrophobicContact CB-CG 3.98Å; D610-L613 WeakPolarHBondContact O-CB 3.37Å; D610-L613 WeakPolarHBondContact O-CG 3.23Å; D610-L613 PolarHBondContact O-N 3.44Å; D610-L613 VanDerWaalsContact O-N 3.09Å; D610-Y647 PolarHBondContact N-OH 3.33Å; D610-Y647 VanDerWaalsContact N-OH 3.11Å; D610-H649 IonicContact OD2-CE1 3.14Å
611	P	75.6	Confident	91.8	Very high	67 Å²	67	43.1 Å²	43.1	44%	0.435	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-2	-176.7	30	-36.1	0	0	0	113.4	V559 R563 L613	V559-P611 HydrophobicContact CG1-CB 3.79Å; V559-P611 HydrophobicContact CG2-CB 4.47Å; R563-P611 PolarHBondContact NE-O 3.42Å; R563-P611 PolarHBondContact NH1-O 3.08Å; P611-L613 VanDerWaalsContact C-N 3.26Å
612	Q	86.4	Confident	91.4	Very high	90 Å²	90	39.7 Å²	39.7	42%	0.421	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-25.3	168.8	-60	-170.6	-24.3	0	0	111.5	R563 D610 E634	R563-Q612 PolarHBondContact NH2-O 3.01Å; D610-Q612 PolarHBondContact O-N 2.9Å; D610-Q612 VanDerWaalsContact O-N 3.09Å; D610-Q612 WeakPolarHBondContact OD1-CB 3.31Å; D610-Q612 PolarHBondContact OD1-N 3.43Å; Q612-E634 WeakPolarHBondContact O-CG 3.36Å
613	L	92.4	Very high	91	Very high	1 Å²	1	42 Å²	42	1%	0.005	20%	0.202	C	C	.	.			trans	-73.4	131.1	-176.2	-57.3	179.6	0	0	0	112.8	R563 A589 L608 D610 P611 K636 L638 Y647	R563-L613 PolarHBondContact NH1-O 2.85Å; R563-L613 PolarHBondContact NH2-O 2.85Å; A589-L613 WeakPolarHBondContact CB-O 3.5Å; L608-L613 HydrophobicContact CB-CD1 4.45Å; L608-L613 HydrophobicContact CD1-CB 3.88Å; L608-L613 HydrophobicContact CD1-CD1 4.08Å; D610-L613 HydrophobicContact CB-CD1 3.95Å; D610-L613 HydrophobicContact CB-CG 3.98Å; D610-L613 WeakPolarHBondContact O-CB 3.37Å; D610-L613 WeakPolarHBondContact O-CG 3.23Å; D610-L613 PolarHBondContact O-N 3.44Å; D610-L613 VanDerWaalsContact O-N 3.09Å; P611-L613 VanDerWaalsContact C-N 3.26Å; L613-K636 HydrophobicContact CD2-CB 4.19Å; L613-K636 HydrophobicContact CD2-CG 3.67Å; L613-L638 HydrophobicContact CD1-CD1 3.85Å; L613-Y647 HydrophobicContact CD1-CE2 4.08Å
614	S	95.2	Very high	90.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.202	C	C	.	.			trans	-115.4	94.6	165.1	-84.8	0	0	0	0	110.6	R563 Q566 P586 Y616 C631 E634	R563-S614 VanDerWaalsContact CZ-OG 3.27Å; R563-S614 PolarHBondContact NH1-OG 3.3Å; R563-S614 PolarHBondContact NH2-OG 3.01Å; Q566-S614 WeakPolarHBondContact CG-OG 3.48Å; Q566-S614 PolarHBondContact NE2-OG 2.82Å; Q566-S614 PolarHBondContact OE1-OG 2.98Å; P586-S614 PolarHBondContact O-OG 3.26Å; S614-Y616 WeakPolarHBondContact O-CD2 3.39Å; S614-Y616 PolarHBondContact O-N 3.11Å; S614-C631 VanDerWaalsContact O-CA 3.24Å; S614-C631 WeakPolarHBondContact O-CA 3.4Å; S614-C631 VanDerWaalsContact O-CB 3.24Å; S614-C631 WeakPolarHBondContact O-CB 3.18Å; S614-E634 PolarHBondContact N-OE2 3.45Å
615	P	96.8	Very high	90.3	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.204	C	C	.	.			trans	-62.6	123.4	170.1	27.5	-33.2	0	0	0	108.4	A584 P586 I591 L608 A629	A584-P615 HydrophobicContact CB-CB 4.16Å; A584-P615 HydrophobicContact CB-CG 4.42Å; A584-P615 WeakPolarHBondContact CB-O 3.45Å; P586-P615 VanDerWaalsContact CG-O 3.26Å; P586-P615 WeakPolarHBondContact CG-O 3.24Å; I591-P615 HydrophobicContact CD1-CB 4.43Å; I591-P615 HydrophobicContact CG1-CB 4.25Å; I591-P615 HydrophobicContact CG1-CG 4.24Å; L608-P615 HydrophobicContact CD1-CG 4Å; P615-A629 HydrophobicContact CB-CB 4.17Å
616	Y	95.4	Very high	90.3	Very high	40 Å²	40	40.4 Å²	40.4	16%	0.157	19%	0.193	C	C	.	.			trans	-109.6	-63.1	-179.2	-100	-91.2	0	0	0	111.6	Q566 P567 F570 G571 P586 S614 T630	Q566-Y616 VanDerWaalsContact OE1-CE2 3.22Å; Q566-Y616 PolarHBondContact OE1-OH 2.63Å; P567-Y616 VanDerWaalsContact CD-OH 3.3Å; P567-Y616 WeakPolarHBondContact CD-OH 3.47Å; P567-Y616 HydrophobicContact CG-CE1 4.04Å; F570-Y616 HydrophobicContact CB-CD1 4.21Å; F570-Y616 AromaticContact CD1-CD1 3.59Å; F570-Y616 HydrophobicContact CD1-CD1 3.59Å; F570-Y616 HydrophobicContact CD1-CE1 4.35Å; F570-Y616 HydrophobicContact CD1-CG 4.48Å; F570-Y616 AromaticContact CD2-CD1 3.98Å; F570-Y616 HydrophobicContact CD2-CD1 3.98Å; F570-Y616 AromaticContact CD2-CE1 3.92Å; F570-Y616 HydrophobicContact CD2-CE1 3.92Å; F570-Y616 AromaticContact CE1-CD1 3.9Å; F570-Y616 HydrophobicContact CE1-CD1 3.9Å; F570-Y616 HydrophobicContact CE2-CD1 4.25Å; F570-Y616 HydrophobicContact CE2-CE1 4.13Å; F570-Y616 AromaticContact CG-CD1 3.64Å; F570-Y616 HydrophobicContact CG-CD1 3.64Å; F570-Y616 HydrophobicContact CG-CE1 4.04Å; F570-Y616 HydrophobicContact CZ-CD1 4.22Å; F570-Y616 HydrophobicContact CZ-CE1 4.45Å; G571-Y616 WeakPolarHBondContact CA-O 3.11Å; G571-Y616 PolarHBondContact N-O 2.77Å; P586-Y616 HydrophobicContact CB-CD2 4.26Å; P586-Y616 HydrophobicContact CB-CE2 4.12Å; P586-Y616 HydrophobicContact CG-CD1 4.41Å; P586-Y616 HydrophobicContact CG-CD2 4.46Å; P586-Y616 HydrophobicContact CG-CE1 4.49Å; P586-Y616 HydrophobicContact CG-CG 4.4Å; S614-Y616 WeakPolarHBondContact O-CD2 3.39Å; S614-Y616 PolarHBondContact O-N 3.11Å; Y616-T630 PolarHBondContact N-O 3.29Å
617	F	95.6	Very high	90.4	Very high	41 Å²	41	39.7 Å²	39.7	18%	0.18	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	144.8	179.5	-50.7	-80.8	0	0	0	109.4	Y457 F570 A629 T630 P632 G661 H662 I663	Y457-F617 HydrophobicContact CD2-CD1 4.17Å; Y457-F617 HydrophobicContact CD2-CE1 4.13Å; Y457-F617 AromaticContact CE2-CD1 3.7Å; Y457-F617 HydrophobicContact CE2-CD1 3.7Å; Y457-F617 AromaticContact CE2-CE1 3.9Å; Y457-F617 HydrophobicContact CE2-CE1 3.9Å; F570-F617 HydrophobicContact CD1-CD1 4.44Å; F570-F617 HydrophobicContact CD1-CE1 4.41Å; F570-F617 HydrophobicContact CE1-CD1 4.03Å; F570-F617 AromaticContact CE1-CE1 3.58Å; F570-F617 HydrophobicContact CE1-CE1 3.58Å; F570-F617 HydrophobicContact CE1-CZ 4.04Å; F570-F617 HydrophobicContact CZ-CE1 4.47Å; F617-A629 CarbonylContact O-C 3.49Å; F617-A629 VanDerWaalsContact O-CA 3.22Å; F617-A629 WeakPolarHBondContact O-CA 3.46Å; F617-T630 WeakPolarHBondContact CD2-OG1 3.31Å; F617-T630 PolarHBondContact O-N 3.27Å; F617-P632 HydrophobicContact CD2-CG 4.22Å; F617-P632 HydrophobicContact CE2-CG 4.17Å; F617-G661 WeakPolarHBondContact CD2-O 3.31Å; F617-H662 AromaticContact CD1-CD2 3.32Å; F617-H662 WeakPolarHBondContact CD1-CD2 3.31Å; F617-H662 AromaticContact CE1-CD2 3.8Å; F617-H662 AromaticContact CG-CD2 3.67Å; F617-I663 HydrophobicContact CB-CG2 4.26Å
618	L	96.6	Very high	90.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	158.9	-179.6	73.3	100.5	0	0	0	112.6	R459 G571 D573 A584 V627 W628 A629	R459-L618 PolarHBondContact NH2-O 2.82Å; R459-L618 VanDerWaalsContact NH2-O 3.14Å; G571-L618 WeakPolarHBondContact O-CD2 2.99Å; D573-L618 HydrophobicContact CB-CD1 3.5Å; D573-L618 HydrophobicContact CB-CG 4.32Å; A584-L618 HydrophobicContact CB-CD2 3.75Å; L618-V627 HydrophobicContact CB-CG1 4.13Å; L618-V627 HydrophobicContact CD1-CG1 3.85Å; L618-W628 CarbonylContact C-O 3.56Å; L618-W628 WeakPolarHBondContact CA-O 3.35Å; L618-A629 HydrophobicContact CB-CB 4.06Å
619	C	96.1	Very high	91.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	146.2	166	66.9	0	0	0	0	112.6	D573 A621 W628 I664	D573-C619 WeakPolarHBondContact OD2-CA 3.46Å; C619-A621 PolarHBondContact O-N 3.4Å; C619-W628 PolarHBondContact N-O 3.35Å; C619-W628 PolarHBondContact O-N 3.23Å; C619-I664 VanDerWaalsContact SG-C 3.57Å
620	L	96.2	Very high	92	Very high	7 Å²	7	29.5 Å²	29.5	4%	0.037	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	105.5	176.7	-179.4	65.8	0	0	0	110.7	D573 D575 Y582 K622 V627 I642 Y665	D573-L620 PolarHBondContact OD2-N 2.83Å; D575-L620 HydrophobicContact CB-CD2 3.57Å; Y582-L620 HydrophobicContact CD2-CD2 4.35Å; Y582-L620 HydrophobicContact CE2-CD1 4.27Å; Y582-L620 HydrophobicContact CE2-CD2 3.84Å; L620-K622 HydrophobicContact CG-CB 4.4Å; L620-K622 PolarHBondContact O-N 2.98Å; L620-V627 HydrophobicContact CD1-CG2 4.1Å; L620-I642 HydrophobicContact CD1-CD1 3.57Å; L620-Y665 WeakPolarHBondContact O-CD1 3.34Å
621	A	93.7	Very high	92.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	68.7	171.8	0	0	0	0	0	110.4	C619 N623 E624 Q625 N626 Y665 I671	C619-A621 PolarHBondContact O-N 3.4Å; A621-N623 VanDerWaalsContact C-N 3.27Å; A621-N623 PolarHBondContact O-N 2.93Å; A621-E624 PolarHBondContact O-N 2.96Å; A621-Q625 PolarHBondContact O-N 3.43Å; A621-N626 WeakPolarHBondContact CA-O 3.5Å; A621-N626 HydrophobicContact CB-CB 4.38Å; A621-N626 WeakPolarHBondContact CB-O 3.45Å; A621-N626 PolarHBondContact N-O 2.86Å; A621-Y665 HydrophobicContact CB-CD2 4.06Å; A621-Y665 HydrophobicContact CB-CE2 3.99Å; A621-I671 HydrophobicContact CB-CD1 4.09Å; A621-I671 HydrophobicContact CB-CG1 4.2Å
622	K	83.8	Confident	93.4	Very high	79 Å²	79	25.7 Å²	25.7	34%	0.343	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-48.5	-38.9	-166.3	-176.4	-176.1	169.3	-172.2	0	115.3	T577 L620 E624 Q625 Y665	T577-K622 VanDerWaalsContact OG1-CE 3.31Å; T577-K622 WeakPolarHBondContact OG1-CE 3.42Å; T577-K622 PolarHBondContact OG1-NZ 2.96Å; L620-K622 HydrophobicContact CG-CB 4.4Å; L620-K622 PolarHBondContact O-N 2.98Å; K622-E624 PolarHBondContact O-N 3.21Å; K622-Q625 PolarHBondContact O-N 2.88Å; K622-Q625 PolarHBondContact O-NE2 2.81Å; K622-Y665 HydrophobicContact CB-CE1 4.37Å
623	N	84.5	Confident	93.7	Very high	110 Å²	110	25.5 Å²	25.5	59%	0.588	13%	0.128	S	C	*	.	G	3₁₀ helix	trans	-66.8	-21	-179.9	-73.1	-3.5	0	0	0	113.7	A621 Y665 N669	A621-N623 VanDerWaalsContact C-N 3.27Å; A621-N623 PolarHBondContact O-N 2.93Å; N623-Y665 PolarHBondContact ND2-OH 2.82Å; N623-N669 PolarHBondContact ND2-ND2 3.38Å; N623-N669 VanDerWaalsContact ND2-ND2 3.14Å; N623-N669 PolarHBondContact ND2-OD1 3.45Å
624	E	84.4	Confident	93.7	Very high	68 Å²	68	27.2 Å²	27.2	32%	0.318	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-104.8	-3.1	-179.4	-50	-178.5	174.3	0	0	112.6	A621 K622 N626 W628	A621-E624 PolarHBondContact O-N 2.96Å; K622-E624 PolarHBondContact O-N 3.21Å; E624-N626 HydrophobicContact CB-CB 4.21Å; E624-N626 VanDerWaalsContact CB-ND2 3.27Å; E624-N626 WeakPolarHBondContact CB-ND2 3.46Å; E624-N626 PolarHBondContact O-N 2.85Å; E624-N626 PolarHBondContact OE2-ND2 3.35Å; E624-W628 PolarHBondContact OE2-NE1 3.31Å
625	Q	90.6	Very high	93.7	Very high	70 Å²	70	28.4 Å²	28.4	33%	0.327	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	36	-167.8	-62	-61	-22.4	0	0	113.6	A621 K622 I642	A621-Q625 PolarHBondContact O-N 3.43Å; K622-Q625 PolarHBondContact O-N 2.88Å; K622-Q625 PolarHBondContact O-NE2 2.81Å; Q625-I642 VanDerWaalsContact O-CB 3.29Å; Q625-I642 WeakPolarHBondContact O-CB 3.49Å; Q625-I642 WeakPolarHBondContact O-CD1 3.44Å; Q625-I642 WeakPolarHBondContact O-CG1 3.4Å; Q625-I642 PolarHBondContact O-N 2.91Å
626	N	94.8	Very high	93.6	Very high	8 Å²	8	29 Å²	29	4%	0.043	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134.1	179.1	-70	-42.2	0	0	0	111.3	A621 E624 I639 L640 D641	A621-N626 WeakPolarHBondContact CA-O 3.5Å; A621-N626 HydrophobicContact CB-CB 4.38Å; A621-N626 WeakPolarHBondContact CB-O 3.45Å; A621-N626 PolarHBondContact N-O 2.86Å; E624-N626 HydrophobicContact CB-CB 4.21Å; E624-N626 VanDerWaalsContact CB-ND2 3.27Å; E624-N626 WeakPolarHBondContact CB-ND2 3.46Å; E624-N626 PolarHBondContact O-N 2.85Å; E624-N626 PolarHBondContact OE2-ND2 3.35Å; N626-I639 HydrophobicContact CB-CG2 4Å; N626-L640 CarbonylContact C-O 3.59Å; N626-L640 VanDerWaalsContact CA-O 3.23Å; N626-L640 WeakPolarHBondContact CA-O 3.25Å; N626-D641 WeakPolarHBondContact OD1-CA 3.42Å
627	V	97.2	Very high	93.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	121.5	159	-176.5	0	0	0	0	108.2	Y582 I591 L618 L620 I639 L640 I642	Y582-V627 HydrophobicContact CD1-CG2 3.62Å; Y582-V627 HydrophobicContact CE1-CG2 3.89Å; Y582-V627 HydrophobicContact CG-CG2 4.27Å; I591-V627 HydrophobicContact CD1-CG1 4.29Å; L618-V627 HydrophobicContact CB-CG1 4.13Å; L618-V627 HydrophobicContact CD1-CG1 3.85Å; L620-V627 HydrophobicContact CD1-CG2 4.1Å; V627-I639 WeakPolarHBondContact O-CA 3.48Å; V627-L640 HydrophobicContact CB-CB 4.29Å; V627-L640 HydrophobicContact CB-CD2 4.36Å; V627-L640 PolarHBondContact N-O 3.12Å; V627-L640 PolarHBondContact O-N 3.36Å; V627-I642 HydrophobicContact CG2-CD1 3.93Å; V627-I642 HydrophobicContact CG2-CG1 4.18Å
628	W	97.9	Very high	93.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.3	171.4	-73.9	61.3	0	0	0	108.7	L618 C619 E624 V637 L638 I639 F650 I663 I671 I684 R686 I691	L618-W628 CarbonylContact C-O 3.56Å; L618-W628 WeakPolarHBondContact CA-O 3.35Å; C619-W628 PolarHBondContact N-O 3.35Å; C619-W628 PolarHBondContact O-N 3.23Å; E624-W628 PolarHBondContact OE2-NE1 3.31Å; W628-V637 HydrophobicContact CE3-CG1 3.86Å; W628-V637 HydrophobicContact CZ3-CG1 4.19Å; W628-L638 CarbonylContact C-O 3.6Å; W628-L638 WeakPolarHBondContact CA-O 3.4Å; W628-I639 HydrophobicContact CD2-CD1 3.94Å; W628-I639 HydrophobicContact CD2-CG1 3.63Å; W628-I639 HydrophobicContact CD2-CG2 4.37Å; W628-I639 HydrophobicContact CE3-CD1 3.81Å; W628-I639 HydrophobicContact CE3-CG1 3.72Å; W628-I639 HydrophobicContact CG-CG1 4.18Å; W628-I639 HydrophobicContact CG-CG2 4.44Å; W628-I639 HydrophobicContact CH2-CD1 3.39Å; W628-I639 HydrophobicContact CH2-CG1 4.2Å; W628-I639 HydrophobicContact CZ2-CD1 3.5Å; W628-I639 HydrophobicContact CZ2-CG1 4.1Å; W628-I639 HydrophobicContact CZ2-CG2 4.45Å; W628-I639 HydrophobicContact CZ3-CD1 3.53Å; W628-I639 HydrophobicContact CZ3-CG1 4.01Å; W628-F650 HydrophobicContact CZ3-CE1 4.29Å; W628-I663 HydrophobicContact CB-CD1 3.97Å; W628-I663 HydrophobicContact CE3-CD1 4.36Å; W628-I671 HydrophobicContact CD2-CD1 3.7Å; W628-I671 HydrophobicContact CD2-CG1 4.44Å; W628-I671 HydrophobicContact CD2-CG2 4.26Å; W628-I671 HydrophobicContact CE3-CD1 4.25Å; W628-I671 HydrophobicContact CE3-CG2 4.08Å; W628-I671 HydrophobicContact CG-CD1 4.15Å; W628-I671 HydrophobicContact CH2-CD1 4.08Å; W628-I671 HydrophobicContact CZ2-CD1 3.51Å; W628-I671 HydrophobicContact CZ3-CD1 4.42Å; W628-I684 HydrophobicContact CH2-CG2 3.88Å; W628-I684 HydrophobicContact CZ3-CB 4.43Å; W628-I684 HydrophobicContact CZ3-CG2 3.62Å; W628-R686 HydrophobicContact CH2-CB 4.41Å; W628-R686 HydrophobicContact CZ2-CB 4.14Å; W628-I691 HydrophobicContact CH2-CD1 4.28Å
629	A	97.9	Very high	93.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.6	179.7	0	0	0	0	0	111.6	I591 P615 F617 L618 V637 L638	I591-A629 HydrophobicContact CD1-CB 3.96Å; P615-A629 HydrophobicContact CB-CB 4.17Å; F617-A629 CarbonylContact O-C 3.49Å; F617-A629 VanDerWaalsContact O-CA 3.22Å; F617-A629 WeakPolarHBondContact O-CA 3.46Å; L618-A629 HydrophobicContact CB-CB 4.06Å; A629-V637 WeakPolarHBondContact O-CA 3.41Å; A629-L638 HydrophobicContact CB-CD2 4.37Å; A629-L638 PolarHBondContact N-O 2.9Å; A629-L638 PolarHBondContact O-N 2.91Å
630	T	97.6	Very high	93.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	141.6	172.2	57.9	0	0	0	0	110.4	Y616 F617 V637 P660 G661 I663 L673	Y616-T630 PolarHBondContact N-O 3.29Å; F617-T630 WeakPolarHBondContact CD2-OG1 3.31Å; F617-T630 PolarHBondContact O-N 3.27Å; T630-V637 HydrophobicContact CG2-CG2 4.16Å; T630-P660 HydrophobicContact CG2-CB 4.04Å; T630-G661 WeakPolarHBondContact CB-O 3.31Å; T630-G661 WeakPolarHBondContact CG2-O 3.5Å; T630-G661 PolarHBondContact OG1-O 3.16Å; T630-I663 HydrophobicContact CG2-CB 3.85Å; T630-I663 HydrophobicContact CG2-CD1 4.11Å; T630-I663 HydrophobicContact CG2-CG2 4.03Å; T630-L673 HydrophobicContact CG2-CD1 3.47Å; T630-L673 VanDerWaalsContact CG2-CD1 3.47Å
631	C	95.9	Very high	93.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	85.8	170.8	-41.1	0	0	0	0	107.2	S614 T633 E634 D635 K636	S614-C631 VanDerWaalsContact O-CA 3.24Å; S614-C631 WeakPolarHBondContact O-CA 3.4Å; S614-C631 VanDerWaalsContact O-CB 3.24Å; S614-C631 WeakPolarHBondContact O-CB 3.18Å; C631-T633 VanDerWaalsContact C-N 3.29Å; C631-T633 PolarHBondContact O-N 2.93Å; C631-E634 VanDerWaalsContact CB-OE2 3.29Å; C631-E634 WeakPolarHBondContact CB-OE2 3.3Å; C631-E634 PolarHBondContact O-N 3.36Å; C631-D635 PolarHBondContact O-N 2.9Å; C631-D635 VanDerWaalsContact O-N 3.17Å; C631-K636 HydrophobicContact CB-CB 4.04Å; C631-K636 PolarHBondContact N-O 3.43Å; C631-K636 PolarHBondContact O-N 3.02Å; C631-K636 VanDerWaalsContact O-N 3.1Å
632	P	93.3	Very high	93.3	Very high	26 Å²	26	27.1 Å²	27.1	17%	0.169	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-31.4	-169.8	-23.8	34.9	0	0	0	113.5	F617 P660	F617-P632 HydrophobicContact CD2-CG 4.22Å; F617-P632 HydrophobicContact CE2-CG 4.17Å; P632-P660 VanDerWaalsContact CB-O 3.32Å; P632-P660 WeakPolarHBondContact CB-O 3.32Å; P632-P660 WeakPolarHBondContact CG-O 3.12Å
633	T	91.8	Very high	93.6	Very high	86 Å²	86	29.5 Å²	29.5	53%	0.528	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-31.1	-180	38.3	0	0	0	0	112.9	C631	C631-T633 VanDerWaalsContact C-N 3.29Å; C631-T633 PolarHBondContact O-N 2.93Å
634	E	93.2	Very high	93.8	Very high	37 Å²	37	27.2 Å²	27.2	17%	0.173	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	1.8	179.3	-60.9	75	-125.2	0	0	113.7	Q612 S614 C631 K636	Q612-E634 WeakPolarHBondContact O-CG 3.36Å; S614-E634 PolarHBondContact N-OE2 3.45Å; C631-E634 VanDerWaalsContact CB-OE2 3.29Å; C631-E634 WeakPolarHBondContact CB-OE2 3.3Å; C631-E634 PolarHBondContact O-N 3.36Å; E634-K636 HydrophobicContact CB-CG 3.95Å; E634-K636 PolarHBondContact O-N 2.83Å
635	D	94.9	Very high	94	Very high	24 Å²	24	27.6 Å²	27.6	13%	0.128	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	55	-170.2	-178.4	38.5	0	0	0	112.1	C631 T651 P652 S653 P660	C631-D635 PolarHBondContact O-N 2.9Å; C631-D635 VanDerWaalsContact O-N 3.17Å; D635-T651 WeakPolarHBondContact O-CA 3.45Å; D635-T651 WeakPolarHBondContact O-CG2 3.22Å; D635-T651 PolarHBondContact O-OG1 2.82Å; D635-T651 WeakPolarHBondContact OD2-CG2 3.45Å; D635-P652 WeakPolarHBondContact O-CD 3.45Å; D635-P652 WeakPolarHBondContact OD1-CD 3.45Å; D635-S653 PolarHBondContact OD1-N 2.83Å; D635-S653 WeakPolarHBondContact OD2-CB 3.36Å; D635-S653 PolarHBondContact OD2-N 2.96Å; D635-S653 PolarHBondContact OD2-OG 3.02Å; D635-P660 WeakPolarHBondContact OD1-CD 2.44Å
636	K	94.8	Very high	93.9	Very high	12 Å²	12	25.5 Å²	25.5	5%	0.052	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	146.7	175.8	-55.2	-67.5	179.7	177	0	112.3	F241 L613 C631 E634 F650 T651	F241-K636 VanDerWaalsContact CE1-NZ 3.29Å; F241-K636 HydrophobicContact CZ-CD 4.46Å; L613-K636 HydrophobicContact CD2-CB 4.19Å; L613-K636 HydrophobicContact CD2-CG 3.67Å; C631-K636 HydrophobicContact CB-CB 4.04Å; C631-K636 PolarHBondContact N-O 3.43Å; C631-K636 PolarHBondContact O-N 3.02Å; C631-K636 VanDerWaalsContact O-N 3.1Å; E634-K636 HydrophobicContact CB-CG 3.95Å; E634-K636 PolarHBondContact O-N 2.83Å; K636-F650 WeakPolarHBondContact CA-O 3.33Å; K636-T651 VanDerWaalsContact CD-OG1 3.31Å; K636-T651 WeakPolarHBondContact CD-OG1 3.05Å; K636-T651 WeakPolarHBondContact CE-OG1 3.45Å; K636-T651 PolarHBondContact NZ-OG1 2.87Å
637	V	96.1	Very high	93.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	123.7	155.9	171.2	0	0	0	0	107	W628 A629 T630 I639 H649 F650 P652 P660 L673	W628-V637 HydrophobicContact CE3-CG1 3.86Å; W628-V637 HydrophobicContact CZ3-CG1 4.19Å; A629-V637 WeakPolarHBondContact O-CA 3.41Å; T630-V637 HydrophobicContact CG2-CG2 4.16Å; V637-I639 HydrophobicContact CG1-CG1 4.44Å; V637-H649 CarbonylContact O-C 3.56Å; V637-H649 WeakPolarHBondContact O-CA 3.2Å; V637-H649 WeakPolarHBondContact O-CB 3.06Å; V637-F650 HydrophobicContact CB-CD1 4.15Å; V637-F650 HydrophobicContact CB-CE1 3.57Å; V637-F650 HydrophobicContact CB-CE2 4.21Å; V637-F650 HydrophobicContact CB-CZ 3.6Å; V637-F650 HydrophobicContact CG1-CD1 4.34Å; V637-F650 HydrophobicContact CG1-CE1 3.48Å; V637-F650 VanDerWaalsContact CG1-CE1 3.48Å; V637-F650 HydrophobicContact CG1-CZ 3.74Å; V637-F650 HydrophobicContact CG2-CZ 4.11Å; V637-F650 PolarHBondContact N-O 2.77Å; V637-F650 PolarHBondContact O-N 3.19Å; V637-P652 HydrophobicContact CB-CG 4.24Å; V637-P652 HydrophobicContact CG2-CG 3.52Å; V637-P660 HydrophobicContact CG2-CB 4.01Å; V637-L673 HydrophobicContact CG2-CD2 4.34Å
638	L	95.4	Very high	93.4	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	143.8	177.7	179.6	141.5	0	0	0	109.9	I591 L608 L613 W628 A629 L640 Y647 F648 H649	I591-L638 HydrophobicContact CD1-CD2 4.21Å; L608-L638 HydrophobicContact CD1-CD1 3.71Å; L608-L638 HydrophobicContact CD2-CD1 3.59Å; L608-L638 HydrophobicContact CD2-CD2 4.45Å; L608-L638 HydrophobicContact CG-CD1 4.25Å; L613-L638 HydrophobicContact CD1-CD1 3.85Å; W628-L638 CarbonylContact C-O 3.6Å; W628-L638 WeakPolarHBondContact CA-O 3.4Å; A629-L638 HydrophobicContact CB-CD2 4.37Å; A629-L638 PolarHBondContact N-O 2.9Å; A629-L638 PolarHBondContact O-N 2.91Å; L638-L640 HydrophobicContact CD2-CB 4.02Å; L638-Y647 HydrophobicContact CD1-CD2 3.37Å; L638-Y647 HydrophobicContact CD1-CE2 3.85Å; L638-Y647 HydrophobicContact CD1-CG 3.92Å; L638-Y647 HydrophobicContact CG-CD2 3.97Å; L638-Y647 HydrophobicContact CG-CG 4.35Å; L638-F648 WeakPolarHBondContact CA-O 3.24Å; L638-H649 HydrophobicContact CB-CB 4.29Å
639	I	95.3	Very high	93.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	111.7	179.2	-54.8	168.4	0	0	0	106.8	N626 V627 W628 V637 Y647 F648 F650 I691	N626-I639 HydrophobicContact CB-CG2 4Å; V627-I639 WeakPolarHBondContact O-CA 3.48Å; W628-I639 HydrophobicContact CD2-CD1 3.94Å; W628-I639 HydrophobicContact CD2-CG1 3.63Å; W628-I639 HydrophobicContact CD2-CG2 4.37Å; W628-I639 HydrophobicContact CE3-CD1 3.81Å; W628-I639 HydrophobicContact CE3-CG1 3.72Å; W628-I639 HydrophobicContact CG-CG1 4.18Å; W628-I639 HydrophobicContact CG-CG2 4.44Å; W628-I639 HydrophobicContact CH2-CD1 3.39Å; W628-I639 HydrophobicContact CH2-CG1 4.2Å; W628-I639 HydrophobicContact CZ2-CD1 3.5Å; W628-I639 HydrophobicContact CZ2-CG1 4.1Å; W628-I639 HydrophobicContact CZ2-CG2 4.45Å; W628-I639 HydrophobicContact CZ3-CD1 3.53Å; W628-I639 HydrophobicContact CZ3-CG1 4.01Å; V637-I639 HydrophobicContact CG1-CG1 4.44Å; I639-Y647 CarbonylContact O-C 3.2Å; I639-Y647 VanDerWaalsContact O-CA 3.24Å; I639-Y647 WeakPolarHBondContact O-CA 3.43Å; I639-F648 HydrophobicContact CB-CD1 4.18Å; I639-F648 HydrophobicContact CB-CE1 3.55Å; I639-F648 HydrophobicContact CB-CE2 4.14Å; I639-F648 HydrophobicContact CB-CZ 3.5Å; I639-F648 HydrophobicContact CD1-CE1 4.38Å; I639-F648 HydrophobicContact CD1-CE2 3.57Å; I639-F648 HydrophobicContact CD1-CZ 3.44Å; I639-F648 VanDerWaalsContact CD1-CZ 3.44Å; I639-F648 HydrophobicContact CG1-CE2 4.33Å; I639-F648 HydrophobicContact CG1-CZ 4.03Å; I639-F648 HydrophobicContact CG2-CE1 3.57Å; I639-F648 HydrophobicContact CG2-CZ 3.62Å; I639-F648 PolarHBondContact N-O 3.17Å; I639-F648 WeakPolarHBondContact O-CD1 3.17Å; I639-F648 PolarHBondContact O-N 3.42Å; I639-F650 HydrophobicContact CD1-CD1 4.42Å; I639-F650 HydrophobicContact CD1-CE1 4.04Å; I639-I691 HydrophobicContact CD1-CD1 4.12Å
640	L	95.5	Very high	92.8	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120	-178.1	167.3	65.2	0	0	0	109.5	I591 W606 N626 V627 L638	I591-L640 HydrophobicContact CB-CD2 4.37Å; I591-L640 HydrophobicContact CD1-CD2 4.24Å; I591-L640 HydrophobicContact CG2-CD2 4.46Å; W606-L640 HydrophobicContact CB-CD1 4.09Å; W606-L640 HydrophobicContact CB-CD2 3.81Å; W606-L640 HydrophobicContact CD2-CD2 3.68Å; W606-L640 HydrophobicContact CE3-CD2 3.93Å; W606-L640 HydrophobicContact CG-CD1 3.87Å; W606-L640 HydrophobicContact CG-CD2 3.65Å; W606-L640 HydrophobicContact CG-CG 4.33Å; N626-L640 CarbonylContact C-O 3.59Å; N626-L640 VanDerWaalsContact CA-O 3.23Å; N626-L640 WeakPolarHBondContact CA-O 3.25Å; V627-L640 HydrophobicContact CB-CB 4.29Å; V627-L640 HydrophobicContact CB-CD2 4.36Å; V627-L640 PolarHBondContact N-O 3.12Å; V627-L640 PolarHBondContact O-N 3.36Å; L638-L640 HydrophobicContact CD2-CB 4.02Å
641	D	92.8	Very high	92.7	Very high	41 Å²	41	35.6 Å²	35.6	22%	0.219	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	114.8	176.9	-176.9	-38.2	0	0	0	109.3	N626 D643 V644 D645 G646	N626-D641 WeakPolarHBondContact OD1-CA 3.42Å; D641-D643 VanDerWaalsContact C-N 3.33Å; D641-D643 PolarHBondContact OD1-N 3.32Å; D641-D643 VanDerWaalsContact OD1-N 3.1Å; D641-V644 HydrophobicContact CB-CB 4.18Å; D641-V644 WeakPolarHBondContact OD1-CB 3.44Å; D641-V644 WeakPolarHBondContact OD1-CG2 3.47Å; D641-V644 PolarHBondContact OD1-N 3.1Å; D641-V644 WeakPolarHBondContact OD2-CG2 2.92Å; D641-D645 PolarHBondContact O-N 2.75Å; D641-G646 WeakPolarHBondContact CB-O 3.37Å; D641-G646 PolarHBondContact N-O 2.76Å; D641-G646 PolarHBondContact O-N 2.94Å
642	I	91.6	Very high	92.4	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.036	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-24.9	-172.9	-60.3	168.2	0	0	0	111.9	Y582 R604 W606 L620 Q625 V627	Y582-I642 HydrophobicContact CE1-CD1 4.09Å; R604-I642 PolarHBondContact NH1-O 2.92Å; W606-I642 HydrophobicContact CZ2-CG2 4.21Å; L620-I642 HydrophobicContact CD1-CD1 3.57Å; Q625-I642 VanDerWaalsContact O-CB 3.29Å; Q625-I642 WeakPolarHBondContact O-CB 3.49Å; Q625-I642 WeakPolarHBondContact O-CD1 3.44Å; Q625-I642 WeakPolarHBondContact O-CG1 3.4Å; Q625-I642 PolarHBondContact O-N 2.91Å; V627-I642 HydrophobicContact CG2-CD1 3.93Å; V627-I642 HydrophobicContact CG2-CG1 4.18Å
643	D	89.6	Confident	92.2	Very high	128 Å²	128	36.7 Å²	36.7	68%	0.684	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-29	-179.3	-73.4	-22.2	0	0	0	111.8	D641	D641-D643 VanDerWaalsContact C-N 3.33Å; D641-D643 PolarHBondContact OD1-N 3.32Å; D641-D643 VanDerWaalsContact OD1-N 3.1Å
644	V	89.3	Confident	91.9	Very high	62 Å²	62	36.4 Å²	36.4	38%	0.376	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-11	-178.7	-178.5	0	0	0	0	113.1	D641 G646	D641-V644 HydrophobicContact CB-CB 4.18Å; D641-V644 WeakPolarHBondContact OD1-CB 3.44Å; D641-V644 WeakPolarHBondContact OD1-CG2 3.47Å; D641-V644 PolarHBondContact OD1-N 3.1Å; D641-V644 WeakPolarHBondContact OD2-CG2 2.92Å; V644-G646 PolarHBondContact O-N 2.83Å
645	D	87.6	Confident	91.6	Very high	77 Å²	77	37.6 Å²	37.6	41%	0.412	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	37.9	-172.1	-76.4	-30.2	0	0	0	112.7	R604 W606 D641	R604-D645 IonicContact CZ-OD1 3.29Å; R604-D645 IonicContact CZ-OD2 2.73Å; R604-D645 IonicContact NE-OD1 3.37Å; R604-D645 PolarHBondContact NE-OD1 2.7Å; R604-D645 IonicContact NE-OD2 3.07Å; R604-D645 IonicContact NH1-OD1 3.78Å; R604-D645 IonicContact NH2-OD1 2.85Å; R604-D645 PolarHBondContact NH2-OD1 2.84Å; R604-D645 IonicContact NH2-OD2 3.83Å; R604-D645 PolarHBondContact NH2-OD2 2.71Å; W606-D645 PolarHBondContact NE1-OD1 3.49Å; D641-D645 PolarHBondContact O-N 2.75Å
646	G	88.7	Confident	91.2	Very high	25 Å²	25	39.3 Å²	39.3	26%	0.258	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	145.5	-176.7	0	0	0	0	0	111.7	D641 V644	D641-G646 WeakPolarHBondContact CB-O 3.37Å; D641-G646 PolarHBondContact N-O 2.76Å; D641-G646 PolarHBondContact O-N 2.94Å; V644-G646 PolarHBondContact O-N 2.83Å
647	Y	92.1	Very high	91	Very high	56 Å²	56	44.7 Å²	44.7	22%	0.22	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	161.6	175	73.5	-87.4	0	0	0	111.8	L608 N609 D610 L613 L638 I639 H649	L608-Y647 HydrophobicContact CB-CE1 4.35Å; L608-Y647 HydrophobicContact CD2-CD1 3.79Å; L608-Y647 HydrophobicContact CD2-CD2 4.38Å; L608-Y647 HydrophobicContact CD2-CE1 3.86Å; L608-Y647 HydrophobicContact CD2-CE2 4.43Å; L608-Y647 HydrophobicContact CD2-CG 4.06Å; N609-Y647 PolarHBondContact N-OH 3.04Å; D610-Y647 PolarHBondContact N-OH 3.33Å; D610-Y647 VanDerWaalsContact N-OH 3.11Å; L613-Y647 HydrophobicContact CD1-CE2 4.08Å; L638-Y647 HydrophobicContact CD1-CD2 3.37Å; L638-Y647 HydrophobicContact CD1-CE2 3.85Å; L638-Y647 HydrophobicContact CD1-CG 3.92Å; L638-Y647 HydrophobicContact CG-CD2 3.97Å; L638-Y647 HydrophobicContact CG-CG 4.35Å; I639-Y647 CarbonylContact O-C 3.2Å; I639-Y647 VanDerWaalsContact O-CA 3.24Å; I639-Y647 WeakPolarHBondContact O-CA 3.43Å; Y647-H649 AromaticContact CE2-CD2 3.87Å
648	F	90.3	Very high	90.8	Very high	68 Å²	68	44.7 Å²	44.7	30%	0.298	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	162.2	164.3	64.1	-73.6	0	0	0	108.4	L638 I639 R686	L638-F648 WeakPolarHBondContact CA-O 3.24Å; I639-F648 HydrophobicContact CB-CD1 4.18Å; I639-F648 HydrophobicContact CB-CE1 3.55Å; I639-F648 HydrophobicContact CB-CE2 4.14Å; I639-F648 HydrophobicContact CB-CZ 3.5Å; I639-F648 HydrophobicContact CD1-CE1 4.38Å; I639-F648 HydrophobicContact CD1-CE2 3.57Å; I639-F648 HydrophobicContact CD1-CZ 3.44Å; I639-F648 VanDerWaalsContact CD1-CZ 3.44Å; I639-F648 HydrophobicContact CG1-CE2 4.33Å; I639-F648 HydrophobicContact CG1-CZ 4.03Å; I639-F648 HydrophobicContact CG2-CE1 3.57Å; I639-F648 HydrophobicContact CG2-CZ 3.62Å; I639-F648 PolarHBondContact N-O 3.17Å; I639-F648 WeakPolarHBondContact O-CD1 3.17Å; I639-F648 PolarHBondContact O-N 3.42Å; F648-R686 VanDerWaalsContact CE1-NH1 3.26Å
649	H	93	Very high	90.8	Very high	59 Å²	59	47 Å²	47	27%	0.273	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	153.2	-176.1	57	121.5	0	0	0	110.7	D610 V637 L638 Y647	D610-H649 IonicContact OD2-CE1 3.14Å; V637-H649 CarbonylContact O-C 3.56Å; V637-H649 WeakPolarHBondContact O-CA 3.2Å; V637-H649 WeakPolarHBondContact O-CB 3.06Å; L638-H649 HydrophobicContact CB-CB 4.29Å; Y647-H649 AromaticContact CE2-CD2 3.87Å
650	F	91.1	Very high	90.8	Very high	27 Å²	27	47 Å²	47	12%	0.118	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	170	175.6	70.2	-85.9	0	0	0	110.4	W628 K636 V637 I639 P652 F656 I691	W628-F650 HydrophobicContact CZ3-CE1 4.29Å; K636-F650 WeakPolarHBondContact CA-O 3.33Å; V637-F650 HydrophobicContact CB-CD1 4.15Å; V637-F650 HydrophobicContact CB-CE1 3.57Å; V637-F650 HydrophobicContact CB-CE2 4.21Å; V637-F650 HydrophobicContact CB-CZ 3.6Å; V637-F650 HydrophobicContact CG1-CD1 4.34Å; V637-F650 HydrophobicContact CG1-CE1 3.48Å; V637-F650 VanDerWaalsContact CG1-CE1 3.48Å; V637-F650 HydrophobicContact CG1-CZ 3.74Å; V637-F650 HydrophobicContact CG2-CZ 4.11Å; V637-F650 PolarHBondContact N-O 2.77Å; V637-F650 PolarHBondContact O-N 3.19Å; I639-F650 HydrophobicContact CD1-CD1 4.42Å; I639-F650 HydrophobicContact CD1-CE1 4.04Å; F650-P652 HydrophobicContact CD2-CG 4.33Å; F650-P652 HydrophobicContact CE2-CB 4.46Å; F650-P652 HydrophobicContact CE2-CG 3.91Å; F650-P652 WeakPolarHBondContact O-CD 3.23Å; F650-F656 HydrophobicContact CD2-CE2 4.1Å; F650-F656 HydrophobicContact CE2-CD2 4.15Å; F650-F656 AromaticContact CE2-CE2 3.75Å; F650-F656 HydrophobicContact CE2-CE2 3.75Å; F650-I691 HydrophobicContact CD1-CD1 4.43Å; F650-I691 HydrophobicContact CD1-CG1 4.08Å; F650-I691 HydrophobicContact CE1-CD1 4.2Å; F650-I691 HydrophobicContact CE1-CG1 4.05Å; F650-I691 HydrophobicContact CE1-CG2 4.35Å; F650-I691 HydrophobicContact CE2-CG2 4.27Å; F650-I691 HydrophobicContact CG-CG1 4.43Å; F650-I691 HydrophobicContact CZ-CG1 4.4Å; F650-I691 HydrophobicContact CZ-CG2 3.94Å
651	T	94.1	Very high	90.7	Very high	10 Å²	10	47.1 Å²	47.1	6%	0.061	26%	0.258	C	S	.	.			trans	-113.8	103.2	-173.3	-71.8	0	0	0	0	111.1	F241 D635 K636 S653 I654 S655	F241-T651 HydrophobicContact CE2-CG2 4.22Å; F241-T651 HydrophobicContact CZ-CG2 3.64Å; F241-T651 WeakPolarHBondContact CZ-OG1 3.48Å; D635-T651 WeakPolarHBondContact O-CA 3.45Å; D635-T651 WeakPolarHBondContact O-CG2 3.22Å; D635-T651 PolarHBondContact O-OG1 2.82Å; D635-T651 WeakPolarHBondContact OD2-CG2 3.45Å; K636-T651 VanDerWaalsContact CD-OG1 3.31Å; K636-T651 WeakPolarHBondContact CD-OG1 3.05Å; K636-T651 WeakPolarHBondContact CE-OG1 3.45Å; K636-T651 PolarHBondContact NZ-OG1 2.87Å; T651-S653 PolarHBondContact O-N 2.88Å; T651-I654 HydrophobicContact CG2-CB 3.84Å; T651-I654 HydrophobicContact CG2-CD1 3.75Å; T651-I654 HydrophobicContact CG2-CG1 3.61Å; T651-I654 PolarHBondContact O-N 2.87Å; T651-S655 WeakPolarHBondContact O-CB 3.23Å; T651-S655 PolarHBondContact O-N 2.86Å; T651-S655 PolarHBondContact O-OG 2.82Å
652	P	89.9	Confident	90.7	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-65.3	-29.8	-173.2	-23.3	34.4	0	0	0	115.1	D635 V637 F650 F656 N657 I658 P660	D635-P652 WeakPolarHBondContact O-CD 3.45Å; D635-P652 WeakPolarHBondContact OD1-CD 3.45Å; V637-P652 HydrophobicContact CB-CG 4.24Å; V637-P652 HydrophobicContact CG2-CG 3.52Å; F650-P652 HydrophobicContact CD2-CG 4.33Å; F650-P652 HydrophobicContact CE2-CB 4.46Å; F650-P652 HydrophobicContact CE2-CG 3.91Å; F650-P652 WeakPolarHBondContact O-CD 3.23Å; P652-F656 CarbonylContact O-C 3.57Å; P652-F656 WeakPolarHBondContact O-CA 3.42Å; P652-F656 WeakPolarHBondContact O-CB 3.42Å; P652-F656 PolarHBondContact O-N 2.76Å; P652-N657 PolarHBondContact O-N 3.06Å; P652-N657 VanDerWaalsContact O-N 3.1Å; P652-I658 CarbonylContact C-O 3.51Å; P652-I658 HydrophobicContact CB-CB 4.13Å; P652-I658 HydrophobicContact CB-CG2 4.42Å; P652-I658 WeakPolarHBondContact CB-O 3.26Å; P652-I658 PolarHBondContact O-N 3.36Å; P652-P660 HydrophobicContact CG-CB 4.11Å; P652-P660 HydrophobicContact CG-CG 3.98Å
653	S	88.7	Confident	90.9	Very high	49 Å²	49	45.3 Å²	45.3	34%	0.343	25%	0.248	S	C	.	.	H	α-helix	trans	-71.6	-40.9	178.3	82.3	0	0	0	0	112	D635 T651 N657 I658	D635-S653 PolarHBondContact OD1-N 2.83Å; D635-S653 WeakPolarHBondContact OD2-CB 3.36Å; D635-S653 PolarHBondContact OD2-N 2.96Å; D635-S653 PolarHBondContact OD2-OG 3.02Å; T651-S653 PolarHBondContact O-N 2.88Å; S653-N657 WeakPolarHBondContact O-CA 3.34Å; S653-N657 PolarHBondContact O-N 2.71Å; S653-I658 VanDerWaalsContact CA-O 3.27Å; S653-I658 WeakPolarHBondContact CA-O 3.24Å; S653-I658 PolarHBondContact N-O 3.47Å
654	I	86.5	Confident	91.2	Very high	80 Å²	80	39.2 Å²	39.2	41%	0.41	22%	0.215	S	C	.	.	H	α-helix	trans	-67.5	-49.7	175.6	-62.8	-180	0	0	0	110.7	A240 F241 T651	A240-I654 HydrophobicContact CB-CD1 4.07Å; F241-I654 HydrophobicContact CE2-CD1 4.08Å; F241-I654 HydrophobicContact CZ-CD1 4.47Å; T651-I654 HydrophobicContact CG2-CB 3.84Å; T651-I654 HydrophobicContact CG2-CD1 3.75Å; T651-I654 HydrophobicContact CG2-CG1 3.61Å; T651-I654 PolarHBondContact O-N 2.87Å
655	S	85.7	Confident	91.5	Very high	61 Å²	61	37.3 Å²	37.3	43%	0.427	20%	0.201	S	C	.	.	H	α-helix	trans	-75.6	-31.4	-174.5	-56.4	0	0	0	0	114	T651	T651-S655 WeakPolarHBondContact O-CB 3.23Å; T651-S655 PolarHBondContact O-N 2.86Å; T651-S655 PolarHBondContact O-OG 2.82Å
656	F	86.9	Confident	91.7	Very high	60 Å²	60	33.7 Å²	33.7	26%	0.263	18%	0.182	S	C	.	.	H	α-helix	trans	-140.6	-2.3	-167.5	-53.7	-64.4	0	0	0	115.4	F650 P652 I658 I691 V693	F650-F656 HydrophobicContact CD2-CE2 4.1Å; F650-F656 HydrophobicContact CE2-CD2 4.15Å; F650-F656 AromaticContact CE2-CE2 3.75Å; F650-F656 HydrophobicContact CE2-CE2 3.75Å; P652-F656 CarbonylContact O-C 3.57Å; P652-F656 WeakPolarHBondContact O-CA 3.42Å; P652-F656 WeakPolarHBondContact O-CB 3.42Å; P652-F656 PolarHBondContact O-N 2.76Å; F656-I658 HydrophobicContact CB-CD1 3.77Å; F656-I658 HydrophobicContact CB-CG1 4.08Å; F656-I691 HydrophobicContact CE2-CB 4.28Å; F656-I691 HydrophobicContact CE2-CG2 3.9Å; F656-I691 HydrophobicContact CZ-CB 4Å; F656-I691 HydrophobicContact CZ-CG2 3.91Å; F656-V693 HydrophobicContact CD1-CB 4.03Å; F656-V693 HydrophobicContact CD1-CG2 3.81Å; F656-V693 HydrophobicContact CD2-CG2 3.72Å; F656-V693 HydrophobicContact CE1-CB 4.18Å; F656-V693 HydrophobicContact CE1-CG2 3.7Å; F656-V693 HydrophobicContact CE2-CG2 3.61Å; F656-V693 HydrophobicContact CG-CB 4.29Å; F656-V693 HydrophobicContact CG-CG2 3.84Å; F656-V693 HydrophobicContact CZ-CG2 3.6Å
657	N	90.2	Very high	91.7	Very high	125 Å²	125	33.8 Å²	33.8	67%	0.668	18%	0.179	S	C	*	.	S	Bend	trans	53.7	49.1	-171	-164.1	101.7	0	0	0	112.3	P652 S653	P652-N657 PolarHBondContact O-N 3.06Å; P652-N657 VanDerWaalsContact O-N 3.1Å; S653-N657 WeakPolarHBondContact O-CA 3.34Å; S653-N657 PolarHBondContact O-N 2.71Å
658	I	92.8	Very high	91.5	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	18%	0.178	C	C	.	.			trans	-121.8	139.9	175	-64.6	168.2	0	0	0	108.2	P652 S653 F656 L673 D675 Y682 V693	P652-I658 CarbonylContact C-O 3.51Å; P652-I658 HydrophobicContact CB-CB 4.13Å; P652-I658 HydrophobicContact CB-CG2 4.42Å; P652-I658 WeakPolarHBondContact CB-O 3.26Å; P652-I658 PolarHBondContact O-N 3.36Å; S653-I658 VanDerWaalsContact CA-O 3.27Å; S653-I658 WeakPolarHBondContact CA-O 3.24Å; S653-I658 PolarHBondContact N-O 3.47Å; F656-I658 HydrophobicContact CB-CD1 3.77Å; F656-I658 HydrophobicContact CB-CG1 4.08Å; I658-L673 HydrophobicContact CG2-CD2 3.86Å; I658-D675 HydrophobicContact CG2-CB 3.97Å; I658-Y682 HydrophobicContact CD1-CD1 3.49Å; I658-Y682 VanDerWaalsContact CD1-CD1 3.49Å; I658-Y682 HydrophobicContact CD1-CD2 3.91Å; I658-Y682 HydrophobicContact CD1-CE1 3.64Å; I658-Y682 HydrophobicContact CD1-CE2 4.09Å; I658-Y682 HydrophobicContact CD1-CG 3.61Å; I658-Y682 HydrophobicContact CG1-CD1 4.32Å; I658-Y682 HydrophobicContact CG1-CD2 4.23Å; I658-Y682 HydrophobicContact CG1-CE1 4.03Å; I658-Y682 HydrophobicContact CG1-CE2 3.98Å; I658-Y682 HydrophobicContact CG1-CG 4.4Å; I658-V693 HydrophobicContact CD1-CG1 3.74Å
659	V	94.3	Very high	91.6	Very high	48 Å²	48	33 Å²	33	29%	0.291	18%	0.181	S	C	.	.			trans	-99.9	116.4	168.7	-178.6	0	0	0	0	108.9	G661 D675 Q676	V659-G661 PolarHBondContact O-N 3.39Å; V659-D675 PolarHBondContact N-OD1 3.41Å; V659-D675 CarbonylContact O-C 3.18Å; V659-D675 WeakPolarHBondContact O-CA 3.16Å; V659-Q676 HydrophobicContact CB-CB 4.48Å; V659-Q676 HydrophobicContact CG1-CB 4.18Å; V659-Q676 PolarHBondContact O-N 3.2Å
660	P	95.4	Very high	91.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	111.7	-170.2	27.2	-33.4	0	0	0	112.6	T630 P632 D635 V637 P652 L673	T630-P660 HydrophobicContact CG2-CB 4.04Å; P632-P660 VanDerWaalsContact CB-O 3.32Å; P632-P660 WeakPolarHBondContact CB-O 3.32Å; P632-P660 WeakPolarHBondContact CG-O 3.12Å; D635-P660 WeakPolarHBondContact OD1-CD 2.44Å; V637-P660 HydrophobicContact CG2-CB 4.01Å; P652-P660 HydrophobicContact CG-CB 4.11Å; P652-P660 HydrophobicContact CG-CG 3.98Å; P660-L673 HydrophobicContact CB-CD1 4.12Å; P660-L673 HydrophobicContact CB-CD2 4.21Å
661	G	93.3	Very high	91.8	Very high	4 Å²	4	29.7 Å²	29.7	4%	0.041	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-123.6	171.5	0	0	0	0	0	112.4	F617 T630 V659 L674	F617-G661 WeakPolarHBondContact CD2-O 3.31Å; T630-G661 WeakPolarHBondContact CB-O 3.31Å; T630-G661 WeakPolarHBondContact CG2-O 3.5Å; T630-G661 PolarHBondContact OG1-O 3.16Å; V659-G661 PolarHBondContact O-N 3.39Å; G661-L674 WeakPolarHBondContact CA-O 3.41Å; G661-L674 PolarHBondContact N-O 3.5Å
662	H	93.5	Very high	92	Very high	9 Å²	9	29.2 Å²	29.2	4%	0.042	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	146.4	179.6	-160.6	-141.4	0	0	0	112.5	R459 F617 L674 I713 Q714	R459-H662 PolarHBondContact NH1-NE2 2.88Å; F617-H662 AromaticContact CD1-CD2 3.32Å; F617-H662 WeakPolarHBondContact CD1-CD2 3.31Å; F617-H662 AromaticContact CE1-CD2 3.8Å; F617-H662 AromaticContact CG-CD2 3.67Å; H662-L674 HydrophobicContact CB-CB 4.21Å; H662-L674 HydrophobicContact CB-CD2 4.14Å; H662-L674 PolarHBondContact O-N 3.1Å; H662-I713 HydrophobicContact CB-CG1 4.18Å; H662-I713 WeakPolarHBondContact CE1-CA 3.07Å; H662-I713 WeakPolarHBondContact CE1-CB 3.45Å; H662-I713 WeakPolarHBondContact CE1-CG1 3.43Å; H662-I713 PolarHBondContact CE1-N 3.41Å; H662-I713 PolarHBondContact CE1-O 3.19Å; H662-I713 WeakPolarHBondContact ND1-CG1 3.12Å; H662-I713 PolarHBondContact ND1-N 2.87Å; H662-I713 PolarHBondContact ND1-O 2.98Å; H662-I713 PolarHBondContact NE2-O 2.89Å; H662-Q714 VanDerWaalsContact NE2-CD 3.31Å; H662-Q714 PolarHBondContact NE2-NE2 3.25Å
663	I	96.6	Very high	92.3	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	139.4	178.9	-160.6	171.7	0	0	0	110.9	F617 W628 T630 I671 I672 L673	F617-I663 HydrophobicContact CB-CG2 4.26Å; W628-I663 HydrophobicContact CB-CD1 3.97Å; W628-I663 HydrophobicContact CE3-CD1 4.36Å; T630-I663 HydrophobicContact CG2-CB 3.85Å; T630-I663 HydrophobicContact CG2-CD1 4.11Å; T630-I663 HydrophobicContact CG2-CG2 4.03Å; I663-I671 HydrophobicContact CD1-CG2 3.77Å; I663-I671 HydrophobicContact CG1-CG2 3.86Å; I663-I672 WeakPolarHBondContact CA-O 3.36Å; I663-L673 HydrophobicContact CB-CD1 4.24Å; I663-L673 HydrophobicContact CD1-CD1 4.45Å; I663-L673 HydrophobicContact CG1-CD1 4.36Å
664	I	95.5	Very high	92.7	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	156.1	179.4	61.8	172.8	0	0	0	111.7	C619 I671 I672 I713 P715 I803	C619-I664 VanDerWaalsContact SG-C 3.57Å; I664-I671 CarbonylContact O-C 3.5Å; I664-I671 WeakPolarHBondContact O-CA 3.22Å; I664-I672 HydrophobicContact CD1-CB 4.41Å; I664-I672 HydrophobicContact CG1-CB 3.88Å; I664-I672 HydrophobicContact CG1-CG1 4.45Å; I664-I672 PolarHBondContact N-O 3.41Å; I664-I672 PolarHBondContact O-N 3.29Å; I664-I713 HydrophobicContact CD1-CB 4.16Å; I664-I713 HydrophobicContact CD1-CD1 3.92Å; I664-I713 HydrophobicContact CD1-CG1 4.02Å; I664-I713 HydrophobicContact CG1-CD1 3.87Å; I664-I713 HydrophobicContact CG1-CG1 4.25Å; I664-I713 HydrophobicContact CG2-CG1 4.13Å; I664-I713 WeakPolarHBondContact CG2-O 3.4Å; I664-P715 HydrophobicContact CD1-CB 4.4Å; I664-I803 HydrophobicContact CD1-CG1 4.29Å; I664-I803 HydrophobicContact CD1-CG2 3.75Å
665	Y	94.9	Very high	93.1	Very high	21 Å²	21	23.4 Å²	23.4	8%	0.082	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	132	168.7	-171.6	-112.5	0	0	0	109.5	L620 A621 K622 N623 N669 R670 I671 P715 Y717	L620-Y665 WeakPolarHBondContact O-CD1 3.34Å; A621-Y665 HydrophobicContact CB-CD2 4.06Å; A621-Y665 HydrophobicContact CB-CE2 3.99Å; K622-Y665 HydrophobicContact CB-CE1 4.37Å; N623-Y665 PolarHBondContact ND2-OH 2.82Å; Y665-N669 HydrophobicContact CE2-CB 4.46Å; Y665-N669 WeakPolarHBondContact OH-CB 3.3Å; Y665-N669 PolarHBondContact OH-OD1 3.31Å; Y665-R670 CarbonylContact C-O 3.57Å; Y665-R670 WeakPolarHBondContact CA-O 3.38Å; Y665-I671 HydrophobicContact CD2-CG1 3.85Å; Y665-I671 HydrophobicContact CE2-CG1 4.35Å; Y665-P715 VanDerWaalsContact O-CB 3.24Å; Y665-P715 WeakPolarHBondContact O-CB 2.86Å; Y665-Y717 PolarHBondContact O-OH 3Å
666	T	92.9	Very high	93.3	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	13%	0.132	C	C	.	.			trans	-95.1	157.1	-176.1	64.7	0	0	0	0	113.1	D668 N669 R670 I672 I803	T666-D668 PolarHBondContact O-N 2.77Å; T666-D668 PolarHBondContact OG1-OD1 3.21Å; T666-N669 WeakPolarHBondContact O-CA 3.49Å; T666-N669 PolarHBondContact O-N 3.32Å; T666-R670 PolarHBondContact N-O 2.85Å; T666-R670 WeakPolarHBondContact OG1-CB 3.48Å; T666-R670 PolarHBondContact OG1-N 3.06Å; T666-R670 PolarHBondContact OG1-O 3.42Å; T666-I672 HydrophobicContact CG2-CG1 3.76Å; T666-I803 HydrophobicContact CG2-CG1 4.11Å
667	S	88.1	Confident	93.5	Very high	27 Å²	27	25.3 Å²	25.3	19%	0.189	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-8.9	173.7	52.9	0	0	0	0	115.1	V716 R800 G801	S667-V716 WeakPolarHBondContact CB-O 3.35Å; S667-V716 PolarHBondContact OG-O 3.21Å; S667-R800 PolarHBondContact O-NE 2.76Å; S667-R800 PolarHBondContact O-NH2 2.64Å; S667-G801 PolarHBondContact OG-N 3.42Å
668	D	88.3	Confident	93.5	Very high	36 Å²	36	22 Å²	22	19%	0.193	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	19.1	168.2	83.1	-33.3	0	0	0	114.4	T666 R670 R800 G801	T666-D668 PolarHBondContact O-N 2.77Å; T666-D668 PolarHBondContact OG1-OD1 3.21Å; D668-R670 VanDerWaalsContact CG-NE 3.34Å; D668-R670 WeakPolarHBondContact OD1-CG 3.41Å; D668-R670 IonicContact OD1-NE 2.79Å; D668-R670 PolarHBondContact OD1-NE 3.43Å; D668-R670 IonicContact OD2-CZ 3.16Å; D668-R670 IonicContact OD2-NE 3.45Å; D668-R670 PolarHBondContact OD2-NE 2.98Å; D668-R670 IonicContact OD2-NH2 2.69Å; D668-R670 PolarHBondContact OD2-NH2 3.23Å; D668-R800 HydrophobicContact CB-CG 4.25Å; D668-G801 WeakPolarHBondContact OD1-CA 3.29Å
669	N	91.1	Very high	93.4	Very high	71 Å²	71	25.1 Å²	25.1	38%	0.38	13%	0.132	S	C	.	.	S	Bend	trans	67.8	46.1	172.5	-49.4	-50	0	0	0	114.7	N623 Y665 T666	N623-N669 PolarHBondContact ND2-ND2 3.38Å; N623-N669 VanDerWaalsContact ND2-ND2 3.14Å; N623-N669 PolarHBondContact ND2-OD1 3.45Å; Y665-N669 HydrophobicContact CE2-CB 4.46Å; Y665-N669 WeakPolarHBondContact OH-CB 3.3Å; Y665-N669 PolarHBondContact OH-OD1 3.31Å; T666-N669 WeakPolarHBondContact O-CA 3.49Å; T666-N669 PolarHBondContact O-N 3.32Å
670	R	93.1	Very high	93.4	Very high	15 Å²	15	24 Å²	24	6%	0.057	13%	0.125	C	C	.	.			trans	-118.2	138.5	173.3	-51.7	-176.2	-155.4	-159.6	11.4	110.6	N360 Y665 T666 D668 I672 W683	N360-R670 PolarHBondContact O-NH1 3.39Å; Y665-R670 CarbonylContact C-O 3.57Å; Y665-R670 WeakPolarHBondContact CA-O 3.38Å; T666-R670 PolarHBondContact N-O 2.85Å; T666-R670 WeakPolarHBondContact OG1-CB 3.48Å; T666-R670 PolarHBondContact OG1-N 3.06Å; T666-R670 PolarHBondContact OG1-O 3.42Å; D668-R670 VanDerWaalsContact CG-NE 3.34Å; D668-R670 WeakPolarHBondContact OD1-CG 3.41Å; D668-R670 IonicContact OD1-NE 2.79Å; D668-R670 PolarHBondContact OD1-NE 3.43Å; D668-R670 IonicContact OD2-CZ 3.16Å; D668-R670 IonicContact OD2-NE 3.45Å; D668-R670 PolarHBondContact OD2-NE 2.98Å; D668-R670 IonicContact OD2-NH2 2.69Å; D668-R670 PolarHBondContact OD2-NH2 3.23Å; R670-I672 HydrophobicContact CB-CD1 3.86Å; R670-I672 HydrophobicContact CB-CG1 4.5Å; R670-W683 HydrophobicContact CB-CD2 4.45Å; R670-W683 HydrophobicContact CB-CG 4.28Å; R670-W683 HydrophobicContact CG-CD2 4.19Å; R670-W683 HydrophobicContact CG-CH2 4.46Å; R670-W683 HydrophobicContact CG-CZ2 3.83Å; R670-W683 VanDerWaalsContact NH1-CZ3 3.27Å
671	I	96.5	Very high	93.4	Very high	3 Å²	3	24 Å²	24	2%	0.015	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	123	167.8	-57.7	145.4	0	0	0	107.2	A621 W628 I663 I664 Y665 W683 I684	A621-I671 HydrophobicContact CB-CD1 4.09Å; A621-I671 HydrophobicContact CB-CG1 4.2Å; W628-I671 HydrophobicContact CD2-CD1 3.7Å; W628-I671 HydrophobicContact CD2-CG1 4.44Å; W628-I671 HydrophobicContact CD2-CG2 4.26Å; W628-I671 HydrophobicContact CE3-CD1 4.25Å; W628-I671 HydrophobicContact CE3-CG2 4.08Å; W628-I671 HydrophobicContact CG-CD1 4.15Å; W628-I671 HydrophobicContact CH2-CD1 4.08Å; W628-I671 HydrophobicContact CZ2-CD1 3.51Å; W628-I671 HydrophobicContact CZ3-CD1 4.42Å; I663-I671 HydrophobicContact CD1-CG2 3.77Å; I663-I671 HydrophobicContact CG1-CG2 3.86Å; I664-I671 CarbonylContact O-C 3.5Å; I664-I671 WeakPolarHBondContact O-CA 3.22Å; Y665-I671 HydrophobicContact CD2-CG1 3.85Å; Y665-I671 HydrophobicContact CE2-CG1 4.35Å; I671-W683 WeakPolarHBondContact O-CA 3.41Å; I671-I684 PolarHBondContact O-N 3.04Å
672	I	97.3	Very high	93.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	123.2	179.9	-50	-59.5	0	0	0	109	I663 I664 T666 R670 L681 Y682 W683 L696 I713 I803	I663-I672 WeakPolarHBondContact CA-O 3.36Å; I664-I672 HydrophobicContact CD1-CB 4.41Å; I664-I672 HydrophobicContact CG1-CB 3.88Å; I664-I672 HydrophobicContact CG1-CG1 4.45Å; I664-I672 PolarHBondContact N-O 3.41Å; I664-I672 PolarHBondContact O-N 3.29Å; T666-I672 HydrophobicContact CG2-CG1 3.76Å; R670-I672 HydrophobicContact CB-CD1 3.86Å; R670-I672 HydrophobicContact CB-CG1 4.5Å; I672-L681 HydrophobicContact CG2-CB 4.14Å; I672-Y682 CarbonylContact C-O 3.52Å; I672-Y682 WeakPolarHBondContact CA-O 3.24Å; I672-W683 HydrophobicContact CD1-CB 3.92Å; I672-W683 HydrophobicContact CD1-CG 4.33Å; I672-L696 HydrophobicContact CD1-CD1 4.21Å; I672-L696 HydrophobicContact CG2-CD1 4.39Å; I672-I713 HydrophobicContact CG2-CD1 4.14Å; I672-I803 HydrophobicContact CD1-CD1 4.46Å; I672-I803 HydrophobicContact CG1-CD1 3.95Å; I672-I803 HydrophobicContact CG2-CD1 4.19Å
673	L	97.4	Very high	93.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	134.4	173.8	-176.8	66.9	0	0	0	110	T630 V637 I658 P660 I663 Y682 I684	T630-L673 HydrophobicContact CG2-CD1 3.47Å; T630-L673 VanDerWaalsContact CG2-CD1 3.47Å; V637-L673 HydrophobicContact CG2-CD2 4.34Å; I658-L673 HydrophobicContact CG2-CD2 3.86Å; P660-L673 HydrophobicContact CB-CD1 4.12Å; P660-L673 HydrophobicContact CB-CD2 4.21Å; I663-L673 HydrophobicContact CB-CD1 4.24Å; I663-L673 HydrophobicContact CD1-CD1 4.45Å; I663-L673 HydrophobicContact CG1-CD1 4.36Å; L673-Y682 PolarHBondContact N-O 3.4Å; L673-Y682 PolarHBondContact O-N 3Å; L673-I684 HydrophobicContact CB-CD1 3.73Å; L673-I684 HydrophobicContact CB-CG1 4.27Å; L673-I684 HydrophobicContact CD2-CD1 3.55Å; L673-I684 HydrophobicContact CG-CD1 4.28Å
674	L	95.8	Very high	93.7	Very high	7 Å²	7	25.8 Å²	25.8	4%	0.037	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.3	166.6	171.9	61	0	0	0	109.8	G661 H662 Q676 L681 I710 I713	G661-L674 WeakPolarHBondContact CA-O 3.41Å; G661-L674 PolarHBondContact N-O 3.5Å; H662-L674 HydrophobicContact CB-CB 4.21Å; H662-L674 HydrophobicContact CB-CD2 4.14Å; H662-L674 PolarHBondContact O-N 3.1Å; L674-Q676 PolarHBondContact O-N 3.02Å; L674-L681 HydrophobicContact CB-CD2 3.99Å; L674-L681 HydrophobicContact CD1-CD2 3.72Å; L674-L681 HydrophobicContact CG-CD2 4.44Å; L674-I710 HydrophobicContact CD1-CB 3.92Å; L674-I710 HydrophobicContact CD1-CG2 3.95Å; L674-I710 HydrophobicContact CD2-CG2 4.13Å; L674-I713 HydrophobicContact CB-CD1 4.09Å
675	D	95	Very high	93.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	112.8	168	-174.5	-27.7	0	0	0	109.9	I658 V659 S677 N678 Y679 D680 Y682	I658-D675 HydrophobicContact CG2-CB 3.97Å; V659-D675 PolarHBondContact N-OD1 3.41Å; V659-D675 CarbonylContact O-C 3.18Å; V659-D675 WeakPolarHBondContact O-CA 3.16Å; D675-S677 PolarHBondContact O-N 2.74Å; D675-S677 WeakPolarHBondContact OD1-CA 3.24Å; D675-S677 WeakPolarHBondContact OD1-CB 3.16Å; D675-S677 PolarHBondContact OD1-N 3.45Å; D675-S677 PolarHBondContact OD1-OG 2.94Å; D675-N678 HydrophobicContact CB-CB 4.24Å; D675-N678 PolarHBondContact OD1-N 2.79Å; D675-N678 WeakPolarHBondContact OD2-CB 3.41Å; D675-N678 PolarHBondContact OD2-ND2 3.3Å; D675-Y679 VanDerWaalsContact O-CA 3.23Å; D675-Y679 WeakPolarHBondContact O-CA 3.41Å; D675-Y679 PolarHBondContact O-N 3.16Å; D675-D680 PolarHBondContact N-O 2.96Å; D675-Y682 HydrophobicContact CB-CD2 4.25Å; D675-Y682 HydrophobicContact CB-CE2 3.9Å
676	Q	90.4	Very high	93.1	Very high	107 Å²	107	30 Å²	30	50%	0.5	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-22.7	-178.1	-168.6	176.5	4	0	0	113.2	V659 L674 Y679	V659-Q676 HydrophobicContact CB-CB 4.48Å; V659-Q676 HydrophobicContact CG1-CB 4.18Å; V659-Q676 PolarHBondContact O-N 3.2Å; L674-Q676 PolarHBondContact O-N 3.02Å; Q676-Y679 WeakPolarHBondContact O-CE1 3.44Å
677	S	90.6	Very high	92.6	Very high	54 Å²	54	31.6 Å²	31.6	38%	0.378	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-42.9	-179	72.8	0	0	0	0	112.6	D675 K707	D675-S677 PolarHBondContact O-N 2.74Å; D675-S677 WeakPolarHBondContact OD1-CA 3.24Å; D675-S677 WeakPolarHBondContact OD1-CB 3.16Å; D675-S677 PolarHBondContact OD1-N 3.45Å; D675-S677 PolarHBondContact OD1-OG 2.94Å; S677-K707 PolarHBondContact O-NZ 2.94Å
678	N	90.9	Very high	92.1	Very high	57 Å²	57	35.6 Å²	35.6	31%	0.305	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-24.5	-177.3	-69.7	-60.6	0	0	0	113.1	D675 D680 K707	D675-N678 HydrophobicContact CB-CB 4.24Å; D675-N678 PolarHBondContact OD1-N 2.79Å; D675-N678 WeakPolarHBondContact OD2-CB 3.41Å; D675-N678 PolarHBondContact OD2-ND2 3.3Å; N678-D680 HydrophobicContact CB-CB 4.27Å; N678-K707 VanDerWaalsContact O-CE 3.25Å; N678-K707 WeakPolarHBondContact O-CE 3.15Å; N678-K707 PolarHBondContact O-NZ 3.49Å
679	Y	91.3	Very high	91.5	Very high	65 Å²	65	43.3 Å²	43.3	26%	0.255	20%	0.204	S	C	.	.			trans	63.6	28.7	-169.2	-43.3	-75.4	0	0	0	113.7	D675 Q676 K707 Q709 I710	D675-Y679 VanDerWaalsContact O-CA 3.23Å; D675-Y679 WeakPolarHBondContact O-CA 3.41Å; D675-Y679 PolarHBondContact O-N 3.16Å; Q676-Y679 WeakPolarHBondContact O-CE1 3.44Å; Y679-K707 HydrophobicContact CD2-CD 4.06Å; Y679-K707 HydrophobicContact CE2-CD 4.21Å; Y679-Q709 HydrophobicContact CD1-CB 4.01Å; Y679-Q709 HydrophobicContact CD1-CG 4.4Å; Y679-Q709 HydrophobicContact CD2-CB 4.07Å; Y679-Q709 HydrophobicContact CD2-CG 3.68Å; Y679-Q709 HydrophobicContact CE1-CB 4.2Å; Y679-Q709 HydrophobicContact CE1-CG 4.35Å; Y679-Q709 HydrophobicContact CE2-CB 4.29Å; Y679-Q709 HydrophobicContact CE2-CG 3.63Å; Y679-Q709 HydrophobicContact CG-CB 3.94Å; Y679-Q709 HydrophobicContact CG-CG 4.09Å; Y679-Q709 PolarHBondContact OH-NE2 3.3Å; Y679-Q709 VanDerWaalsContact OH-NE2 3.16Å; Y679-I710 WeakPolarHBondContact CD1-O 3.46Å
680	D	92.4	Very high	90.8	Very high	24 Å²	24	42.1 Å²	42.1	13%	0.128	20%	0.204	C	C	.	.			trans	-100.3	152.3	177.6	-89.1	-59.6	0	0	0	111.2	D675 N678 Y682 R695	D675-D680 PolarHBondContact N-O 2.96Å; N678-D680 HydrophobicContact CB-CB 4.27Å; D680-Y682 HydrophobicContact CB-CD2 4.41Å; D680-Y682 HydrophobicContact CB-CE2 3.71Å; D680-R695 VanDerWaalsContact CG-NE 3.3Å; D680-R695 IonicContact OD1-CZ 3.36Å; D680-R695 IonicContact OD1-NE 2.7Å; D680-R695 PolarHBondContact OD1-NE 3.17Å; D680-R695 IonicContact OD1-NH2 2.83Å; D680-R695 PolarHBondContact OD1-NH2 3.31Å; D680-R695 IonicContact OD2-CZ 3.6Å; D680-R695 IonicContact OD2-NE 2.83Å; D680-R695 PolarHBondContact OD2-NE 2.91Å; D680-R695 IonicContact OD2-NH1 2.79Å; D680-R695 PolarHBondContact OD2-NH1 3.31Å; D680-R695 IonicContact OD2-NH2 2.67Å; D680-R695 PolarHBondContact OD2-NH2 2.94Å
681	L	96.1	Very high	90.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	136.6	177.2	-57.3	-179.8	0	0	0	111.6	I672 L674 L696 Y698 I710 I713 I814	I672-L681 HydrophobicContact CG2-CB 4.14Å; L674-L681 HydrophobicContact CB-CD2 3.99Å; L674-L681 HydrophobicContact CD1-CD2 3.72Å; L674-L681 HydrophobicContact CG-CD2 4.44Å; L681-L696 HydrophobicContact CB-CB 4.36Å; L681-L696 HydrophobicContact CB-CD1 4.03Å; L681-L696 HydrophobicContact CB-CG 4.32Å; L681-L696 PolarHBondContact O-N 2.84Å; L681-Y698 HydrophobicContact CB-CE1 4.15Å; L681-Y698 HydrophobicContact CD1-CE1 4.06Å; L681-Y698 HydrophobicContact CG-CE1 4.2Å; L681-I710 HydrophobicContact CD1-CD1 3.96Å; L681-I710 HydrophobicContact CD2-CD1 4.11Å; L681-I710 HydrophobicContact CG-CD1 3.84Å; L681-I713 HydrophobicContact CD1-CG2 4.23Å; L681-I713 HydrophobicContact CD2-CD1 3.98Å; L681-I713 HydrophobicContact CD2-CG2 3.78Å; L681-I814 HydrophobicContact CD1-CD1 3.71Å
682	Y	97	Very high	90.3	Very high	31 Å²	31	42.5 Å²	42.5	12%	0.122	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126.3	-178.4	-69.8	-97.9	0	0	0	110.3	I658 I672 L673 D675 D680 V693 R695	I658-Y682 HydrophobicContact CD1-CD1 3.49Å; I658-Y682 VanDerWaalsContact CD1-CD1 3.49Å; I658-Y682 HydrophobicContact CD1-CD2 3.91Å; I658-Y682 HydrophobicContact CD1-CE1 3.64Å; I658-Y682 HydrophobicContact CD1-CE2 4.09Å; I658-Y682 HydrophobicContact CD1-CG 3.61Å; I658-Y682 HydrophobicContact CG1-CD1 4.32Å; I658-Y682 HydrophobicContact CG1-CD2 4.23Å; I658-Y682 HydrophobicContact CG1-CE1 4.03Å; I658-Y682 HydrophobicContact CG1-CE2 3.98Å; I658-Y682 HydrophobicContact CG1-CG 4.4Å; I672-Y682 CarbonylContact C-O 3.52Å; I672-Y682 WeakPolarHBondContact CA-O 3.24Å; L673-Y682 PolarHBondContact N-O 3.4Å; L673-Y682 PolarHBondContact O-N 3Å; D675-Y682 HydrophobicContact CB-CD2 4.25Å; D675-Y682 HydrophobicContact CB-CE2 3.9Å; D680-Y682 HydrophobicContact CB-CD2 4.41Å; D680-Y682 HydrophobicContact CB-CE2 3.71Å; Y682-V693 HydrophobicContact CD1-CG1 3.68Å; Y682-V693 HydrophobicContact CG-CG1 4.31Å; Y682-R695 HydrophobicContact CD1-CB 3.86Å; Y682-R695 HydrophobicContact CE1-CB 3.66Å; Y682-R695 HydrophobicContact CE1-CG 4.22Å
683	W	96.5	Very high	90	Very high	21 Å²	21	44 Å²	44	8%	0.08	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	123.4	164.9	175.1	15.2	0	0	0	108.6	M356 M357 N360 R670 I671 I672 V693 Q694 L696	M356-W683 HydrophobicContact CE-CH2 3.53Å; M356-W683 HydrophobicContact CE-CZ2 4.01Å; M356-W683 HydrophobicContact CE-CZ3 4.37Å; M357-W683 HydrophobicContact CB-CE3 4.06Å; M357-W683 HydrophobicContact CB-CZ3 4.04Å; M357-W683 HydrophobicContact CE-CB 4.21Å; M357-W683 HydrophobicContact CE-CD2 3.69Å; M357-W683 HydrophobicContact CE-CE3 4.26Å; M357-W683 HydrophobicContact CE-CG 3.65Å; M357-W683 VanDerWaalsContact CE-O 3.29Å; M357-W683 WeakPolarHBondContact CE-O 3.44Å; M357-W683 HydrophobicContact CG-CD2 4.24Å; M357-W683 HydrophobicContact CG-CE3 4.05Å; M357-W683 HydrophobicContact CG-CH2 4.11Å; M357-W683 HydrophobicContact CG-CZ2 4.25Å; M357-W683 HydrophobicContact CG-CZ3 3.99Å; N360-W683 HydrophobicContact CB-CH2 4.33Å; N360-W683 HydrophobicContact CB-CZ3 3.77Å; R670-W683 HydrophobicContact CB-CD2 4.45Å; R670-W683 HydrophobicContact CB-CG 4.28Å; R670-W683 HydrophobicContact CG-CD2 4.19Å; R670-W683 HydrophobicContact CG-CH2 4.46Å; R670-W683 HydrophobicContact CG-CZ2 3.83Å; R670-W683 VanDerWaalsContact NH1-CZ3 3.27Å; I671-W683 WeakPolarHBondContact O-CA 3.41Å; I672-W683 HydrophobicContact CD1-CB 3.92Å; I672-W683 HydrophobicContact CD1-CG 4.33Å; W683-V693 WeakPolarHBondContact O-CA 3.21Å; W683-Q694 PolarHBondContact N-O 2.84Å; W683-Q694 PolarHBondContact O-N 2.94Å; W683-L696 HydrophobicContact CB-CD2 4.01Å
684	I	95.5	Very high	89.9	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	147.4	175.6	-53.3	-168.9	0	0	0	109.4	W628 I671 L673 I691 C692 V693	W628-I684 HydrophobicContact CH2-CG2 3.88Å; W628-I684 HydrophobicContact CZ3-CB 4.43Å; W628-I684 HydrophobicContact CZ3-CG2 3.62Å; I671-I684 PolarHBondContact O-N 3.04Å; L673-I684 HydrophobicContact CB-CD1 3.73Å; L673-I684 HydrophobicContact CB-CG1 4.27Å; L673-I684 HydrophobicContact CD2-CD1 3.55Å; L673-I684 HydrophobicContact CG-CD1 4.28Å; I684-I691 HydrophobicContact CG2-CG2 3.64Å; I684-C692 WeakPolarHBondContact CA-O 3.34Å; I684-V693 HydrophobicContact CD1-CG2 4.24Å; I684-V693 HydrophobicContact CG1-CG1 4.28Å; I684-V693 HydrophobicContact CG1-CG2 4.06Å; I684-V693 HydrophobicContact CG2-CG2 4.19Å
685	T	91.7	Very high	89.9	Confident	24 Å²	24	49.8 Å²	49.8	15%	0.147	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	153.4	173.2	-175	0	0	0	0	109.7	L353 M357 C692	L353-T685 HydrophobicContact CD2-CG2 3.67Å; L353-T685 HydrophobicContact CG-CG2 4.29Å; M357-T685 HydrophobicContact CE-CG2 3.6Å; M357-T685 HydrophobicContact SD-CG2 3.59Å; M357-T685 VanDerWaalsContact SD-CG2 3.59Å; T685-C692 HydrophobicContact CG2-CB 3.93Å; T685-C692 PolarHBondContact N-O 3.47Å; T685-C692 PolarHBondContact O-N 3.21Å
686	R	87.5	Confident	89.9	Confident	86 Å²	86	50 Å²	50	33%	0.325	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	140	175	174.2	173.4	171.2	-154.6	2.2	110.3	W628 F648 E688 I691	W628-R686 HydrophobicContact CH2-CB 4.41Å; W628-R686 HydrophobicContact CZ2-CB 4.14Å; F648-R686 VanDerWaalsContact CE1-NH1 3.26Å; R686-E688 PolarHBondContact NE-O 2.7Å; R686-E688 PolarHBondContact NH2-O 2.86Å; R686-I691 HydrophobicContact CB-CD1 3.99Å; R686-I691 HydrophobicContact CG-CD1 4.23Å
687	I	82.4	Confident	90	Very high	35 Å²	35	50.8 Å²	50.8	18%	0.179	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	112.8	166.2	-174.9	164.6	0	0	0	108.8	D349 A350 L353 K689 A690	D349-I687 HydrophobicContact CB-CD1 4.2Å; A350-I687 HydrophobicContact CB-CG2 3.86Å; L353-I687 HydrophobicContact CD2-CB 3.97Å; L353-I687 HydrophobicContact CD2-CD1 4.18Å; L353-I687 HydrophobicContact CD2-CG2 4.08Å; I687-K689 PolarHBondContact O-N 2.7Å; I687-A690 HydrophobicContact CG2-CB 4.21Å; I687-A690 PolarHBondContact N-O 3.15Å; I687-A690 PolarHBondContact O-N 3.38Å
688	E	76.9	Confident	89.9	Confident	111 Å²	111	50.2 Å²	50.2	52%	0.519	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	-102.7	-175.8	-56.8	175.5	174.3	0	0	113	S346 R686	S346-E688 WeakPolarHBondContact CB-OE2 3.34Å; S346-E688 PolarHBondContact OG-OE2 2.94Å; R686-E688 PolarHBondContact NE-O 2.7Å; R686-E688 PolarHBondContact NH2-O 2.86Å
689	K	75.6	Confident	89.5	Confident	198 Å²	198	54 Å²	54	86%	0.861	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-8.1	176.1	-64.2	-175.6	179	-178.8	0	113.5	I687	I687-K689 PolarHBondContact O-N 2.7Å
690	A	77.6	Confident	88.6	Confident	45 Å²	45	51.7 Å²	51.7	37%	0.372	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	145.3	-175.3	0	0	0	0	0	112.5	I687	I687-A690 HydrophobicContact CG2-CB 4.21Å; I687-A690 PolarHBondContact N-O 3.15Å; I687-A690 PolarHBondContact O-N 3.38Å
691	I	88.1	Confident	87.1	Confident	26 Å²	26	53 Å²	53	13%	0.133	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.4	169.7	-57.1	-59.8	0	0	0	108.8	W628 I639 F650 F656 I684 R686 V693	W628-I691 HydrophobicContact CH2-CD1 4.28Å; I639-I691 HydrophobicContact CD1-CD1 4.12Å; F650-I691 HydrophobicContact CD1-CD1 4.43Å; F650-I691 HydrophobicContact CD1-CG1 4.08Å; F650-I691 HydrophobicContact CE1-CD1 4.2Å; F650-I691 HydrophobicContact CE1-CG1 4.05Å; F650-I691 HydrophobicContact CE1-CG2 4.35Å; F650-I691 HydrophobicContact CE2-CG2 4.27Å; F650-I691 HydrophobicContact CG-CG1 4.43Å; F650-I691 HydrophobicContact CZ-CG1 4.4Å; F650-I691 HydrophobicContact CZ-CG2 3.94Å; F656-I691 HydrophobicContact CE2-CB 4.28Å; F656-I691 HydrophobicContact CE2-CG2 3.9Å; F656-I691 HydrophobicContact CZ-CB 4Å; F656-I691 HydrophobicContact CZ-CG2 3.91Å; I684-I691 HydrophobicContact CG2-CG2 3.64Å; R686-I691 HydrophobicContact CB-CD1 3.99Å; R686-I691 HydrophobicContact CG-CD1 4.23Å; I691-V693 HydrophobicContact CG2-CG2 3.98Å
692	C	89.3	Confident	85.3	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.007	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	134.1	174.1	-76.7	0	0	0	0	110.2	L353 M357 I684 T685	L353-C692 HydrophobicContact CD2-CB 4.42Å; M357-C692 HydrophobicContact SD-CB 3.88Å; I684-C692 WeakPolarHBondContact CA-O 3.34Å; T685-C692 HydrophobicContact CG2-CB 3.93Å; T685-C692 PolarHBondContact N-O 3.47Å; T685-C692 PolarHBondContact O-N 3.21Å
693	V	92.8	Very high	83.2	Confident	30 Å²	30	62.6 Å²	62.6	18%	0.182	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	133.5	-173.1	179.4	0	0	0	0	109.6	F656 I658 Y682 W683 I684 I691	F656-V693 HydrophobicContact CD1-CB 4.03Å; F656-V693 HydrophobicContact CD1-CG2 3.81Å; F656-V693 HydrophobicContact CD2-CG2 3.72Å; F656-V693 HydrophobicContact CE1-CB 4.18Å; F656-V693 HydrophobicContact CE1-CG2 3.7Å; F656-V693 HydrophobicContact CE2-CG2 3.61Å; F656-V693 HydrophobicContact CG-CB 4.29Å; F656-V693 HydrophobicContact CG-CG2 3.84Å; F656-V693 HydrophobicContact CZ-CG2 3.6Å; I658-V693 HydrophobicContact CD1-CG1 3.74Å; Y682-V693 HydrophobicContact CD1-CG1 3.68Å; Y682-V693 HydrophobicContact CG-CG1 4.31Å; W683-V693 WeakPolarHBondContact O-CA 3.21Å; I684-V693 HydrophobicContact CD1-CG2 4.24Å; I684-V693 HydrophobicContact CG1-CG1 4.28Å; I684-V693 HydrophobicContact CG1-CG2 4.06Å; I684-V693 HydrophobicContact CG2-CG2 4.19Å; I691-V693 HydrophobicContact CG2-CG2 3.98Å
694	Q	94.5	Very high	81.4	Confident	31 Å²	31	67.2 Å²	67.2	15%	0.145	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	118.4	179	174	60.7	66.8	0	0	110.6	M357 W683	M357-Q694 HydrophobicContact CB-CB 3.79Å; M357-Q694 HydrophobicContact CB-CG 4Å; M357-Q694 HydrophobicContact CE-CB 3.96Å; M357-Q694 HydrophobicContact SD-CB 4.47Å; W683-Q694 PolarHBondContact N-O 2.84Å; W683-Q694 PolarHBondContact O-N 2.94Å
695	R	95.1	Very high	79.4	Confident	99 Å²	99	73.6 Å²	73.6	37%	0.374	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	137.8	171.3	-176.8	170.9	169.7	177.2	-0.8	110.9	S361 D680 Y682	S361-R695 WeakPolarHBondContact CB-O 3.48Å; D680-R695 VanDerWaalsContact CG-NE 3.3Å; D680-R695 IonicContact OD1-CZ 3.36Å; D680-R695 IonicContact OD1-NE 2.7Å; D680-R695 PolarHBondContact OD1-NE 3.17Å; D680-R695 IonicContact OD1-NH2 2.83Å; D680-R695 PolarHBondContact OD1-NH2 3.31Å; D680-R695 IonicContact OD2-CZ 3.6Å; D680-R695 IonicContact OD2-NE 2.83Å; D680-R695 PolarHBondContact OD2-NE 2.91Å; D680-R695 IonicContact OD2-NH1 2.79Å; D680-R695 PolarHBondContact OD2-NH1 3.31Å; D680-R695 IonicContact OD2-NH2 2.67Å; D680-R695 PolarHBondContact OD2-NH2 2.94Å; Y682-R695 HydrophobicContact CD1-CB 3.86Å; Y682-R695 HydrophobicContact CE1-CB 3.66Å; Y682-R695 HydrophobicContact CE1-CG 4.22Å
696	L	95.1	Very high	78	Confident	3 Å²	3	80 Å²	80	2%	0.016	40%	0.399	C	S	.	.			trans	-82	146.6	172.7	-59.7	-170.7	0	0	0	111.3	S361 F363 I672 L681 W683 Y698 I803	S361-L696 WeakPolarHBondContact O-CA 3.4Å; F363-L696 HydrophobicContact CD2-CB 4.48Å; F363-L696 HydrophobicContact CD2-CD1 4.15Å; F363-L696 HydrophobicContact CD2-CD2 4.07Å; F363-L696 HydrophobicContact CD2-CG 4.48Å; F363-L696 HydrophobicContact CE1-CD1 4.34Å; F363-L696 HydrophobicContact CE2-CD1 3.86Å; F363-L696 HydrophobicContact CE2-CD2 3.62Å; F363-L696 HydrophobicContact CE2-CG 4.28Å; F363-L696 HydrophobicContact CZ-CD1 3.96Å; F363-L696 HydrophobicContact CZ-CD2 4.36Å; I672-L696 HydrophobicContact CD1-CD1 4.21Å; I672-L696 HydrophobicContact CG2-CD1 4.39Å; L681-L696 HydrophobicContact CB-CB 4.36Å; L681-L696 HydrophobicContact CB-CD1 4.03Å; L681-L696 HydrophobicContact CB-CG 4.32Å; L681-L696 PolarHBondContact O-N 2.84Å; W683-L696 HydrophobicContact CB-CD2 4.01Å; L696-Y698 HydrophobicContact CB-CD1 4.16Å; L696-Y698 HydrophobicContact CB-CE1 4.06Å; L696-I803 HydrophobicContact CD1-CD1 3.97Å
697	Y	92.5	Very high	77.2	Confident	125 Å²	125	81.1 Å²	81.1	49%	0.49	41%	0.407	S	S	.	.	B	Isolated β-bridge	trans	-118	108.6	178.7	-63.1	-73.6	0	0	0	110.9	S361 F363	S361-Y697 PolarHBondContact O-N 2.92Å; S361-Y697 WeakPolarHBondContact OG-CD2 3.44Å; F363-Y697 PolarHBondContact N-O 3.13Å
698	Y	88.4	Confident	77	Confident	41 Å²	41	81.5 Å²	81.5	16%	0.161	41%	0.407	C	S	.	.			trans	-132.9	159.3	172.9	46.8	-90.4	0	0	0	109	L681 L696 I700 I710 I814	L681-Y698 HydrophobicContact CB-CE1 4.15Å; L681-Y698 HydrophobicContact CD1-CE1 4.06Å; L681-Y698 HydrophobicContact CG-CE1 4.2Å; L696-Y698 HydrophobicContact CB-CD1 4.16Å; L696-Y698 HydrophobicContact CB-CE1 4.06Å; Y698-I700 HydrophobicContact CD2-CD1 3.84Å; Y698-I700 HydrophobicContact CD2-CG1 4.04Å; Y698-I700 HydrophobicContact CE2-CD1 4.02Å; Y698-I710 HydrophobicContact CE2-CD1 4.38Å; Y698-I710 WeakPolarHBondContact OH-CD1 3.34Å; Y698-I814 HydrophobicContact CD1-CD1 3.65Å; Y698-I814 HydrophobicContact CE1-CD1 3.96Å; Y698-I814 HydrophobicContact CG-CD1 4.15Å; Y698-I814 HydrophobicContact CG-CG2 4.39Å
699	N	82.2	Confident	77.4	Confident	138 Å²	138	79.4 Å²	79.4	74%	0.738	40%	0.398	S	S	*	.			trans	-129.5	100.1	176.9	-176	-1.3	0	0	0	109.8	V365 G701	V365-N699 WeakPolarHBondContact CG2-O 3.01Å; N699-G701 PolarHBondContact O-N 2.81Å
700	I	73.4	Confident	77.9	Confident	16 Å²	16	70.1 Å²	70.1	8%	0.082	36%	0.357	C	S	.	.			trans	-88	102.3	178.9	-64.8	167.9	0	0	0	107.6	V365 Y698 S702 F708 T812	V365-I700 HydrophobicContact CB-CG1 4.38Å; V365-I700 HydrophobicContact CG1-CG1 3.86Å; V365-I700 HydrophobicContact CG2-CG1 3.56Å; Y698-I700 HydrophobicContact CD2-CD1 3.84Å; Y698-I700 HydrophobicContact CD2-CG1 4.04Å; Y698-I700 HydrophobicContact CE2-CD1 4.02Å; I700-S702 PolarHBondContact O-N 3.2Å; I700-F708 HydrophobicContact CB-CE2 4.25Å; I700-F708 HydrophobicContact CB-CZ 4.32Å; I700-F708 HydrophobicContact CD1-CE1 3.59Å; I700-F708 HydrophobicContact CD1-CE2 4.03Å; I700-F708 HydrophobicContact CD1-CZ 3.27Å; I700-F708 HydrophobicContact CG1-CZ 4.34Å; I700-F708 HydrophobicContact CG2-CD2 4.34Å; I700-F708 HydrophobicContact CG2-CE2 3.72Å; I700-F708 HydrophobicContact CG2-CZ 4.12Å; I700-T812 HydrophobicContact CG2-CG2 4.23Å
701	G	61.8	Low	78.1	Confident	51 Å²	51	71.5 Å²	71.5	53%	0.526	36%	0.357	S	S	.	.			trans	-57	104	-178.4	0	0	0	0	0	112	N699	N699-G701 PolarHBondContact O-N 2.81Å
702	S	57.4	Low	78	Confident	38 Å²	38	70.6 Å²	70.6	27%	0.266	35%	0.353	S	S	.	.			trans	-125.6	119.9	175	-155.3	0	0	0	0	109.2	K368 I700 Q704	K368-S702 PolarHBondContact NZ-OG 3.48Å; I700-S702 PolarHBondContact O-N 3.2Å; S702-Q704 PolarHBondContact O-N 2.83Å
703	H	53.3	Low	78.1	Confident	195 Å²	195	70.5 Å²	70.5	90%	0.903	35%	0.353	S	S	*	.			trans	-79.9	8.8	176	-59.9	-83.5	0	0	0	113
704	Q	58.1	Low	77.9	Confident	117 Å²	117	69.4 Å²	69.4	55%	0.547	35%	0.346	S	S	.	.	S	Bend	trans	-105.3	143.3	-179.7	-68.9	-156.7	7.4	0	0	112.1	S702 K706 Y809	S702-Q704 PolarHBondContact O-N 2.83Å; Q704-K706 PolarHBondContact O-N 2.92Å; Q704-Y809 HydrophobicContact CB-CE1 4.17Å; Q704-Y809 HydrophobicContact CG-CE1 4.48Å
705	P	53.1	Low	77.7	Confident	135 Å²	135	68.7 Å²	68.7	88%	0.877	34%	0.343	S	S	*	.			trans	-80.8	-10.2	-175.3	32.8	-37.2	0	0	0	114.7
706	K	63.5	Low	77.3	Confident	158 Å²	158	64.2 Å²	64.2	69%	0.687	33%	0.327	S	S	*	.	S	Bend	trans	-73.2	139.6	178.6	-73.1	180	177.5	-178.2	0	110.7	Q704 F708 Y809	Q704-K706 PolarHBondContact O-N 2.92Å; K706-F708 PolarHBondContact O-N 3.11Å; K706-Y809 WeakPolarHBondContact CB-OH 3.33Å; K706-Y809 PolarHBondContact O-OH 2.91Å
707	K	70.9	Confident	76.4	Confident	110 Å²	110	66.6 Å²	66.6	48%	0.478	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-50.3	132.1	-178.9	-166.8	-174.2	-179.7	-170.3	0	110.5	S677 N678 Y679 N808	S677-K707 PolarHBondContact O-NZ 2.94Å; N678-K707 VanDerWaalsContact O-CE 3.25Å; N678-K707 WeakPolarHBondContact O-CE 3.15Å; N678-K707 PolarHBondContact O-NZ 3.49Å; Y679-K707 HydrophobicContact CD2-CD 4.06Å; Y679-K707 HydrophobicContact CE2-CD 4.21Å; K707-N808 PolarHBondContact O-ND2 3.03Å
708	F	78.4	Confident	75	Confident	44 Å²	44	62.6 Å²	62.6	19%	0.193	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-71.1	129.7	170.9	-177.8	-96.1	0	0	0	109.6	I700 K706 I710 H807 Y809	I700-F708 HydrophobicContact CB-CE2 4.25Å; I700-F708 HydrophobicContact CB-CZ 4.32Å; I700-F708 HydrophobicContact CD1-CE1 3.59Å; I700-F708 HydrophobicContact CD1-CE2 4.03Å; I700-F708 HydrophobicContact CD1-CZ 3.27Å; I700-F708 HydrophobicContact CG1-CZ 4.34Å; I700-F708 HydrophobicContact CG2-CD2 4.34Å; I700-F708 HydrophobicContact CG2-CE2 3.72Å; I700-F708 HydrophobicContact CG2-CZ 4.12Å; K706-F708 PolarHBondContact O-N 3.11Å; F708-I710 HydrophobicContact CD1-CG1 4.25Å; F708-I710 HydrophobicContact CE1-CD1 4.07Å; F708-I710 HydrophobicContact CE1-CG1 3.47Å; F708-I710 VanDerWaalsContact CE1-CG1 3.47Å; F708-I710 HydrophobicContact CZ-CG1 4.22Å; F708-H807 HydrophobicContact CE1-CB 4.27Å; F708-H807 HydrophobicContact CE2-CB 3.74Å; F708-H807 AromaticContact CE2-CD2 3.77Å; F708-H807 AromaticContact CE2-CE1 3.93Å; F708-H807 AromaticContact CE2-CG 3.41Å; F708-H807 VanDerWaalsContact CE2-CG 3.41Å; F708-H807 AromaticContact CE2-ND1 3.5Å; F708-H807 HydrophobicContact CZ-CB 3.53Å; F708-H807 AromaticContact CZ-CD2 3.48Å; F708-H807 VanDerWaalsContact CZ-CD2 3.48Å; F708-H807 WeakPolarHBondContact CZ-CD2 3.42Å; F708-H807 AromaticContact CZ-CG 3.4Å; F708-H807 AromaticContact CZ-ND1 3.99Å; F708-Y809 AromaticContact CD2-CD2 3.82Å; F708-Y809 HydrophobicContact CD2-CD2 3.82Å; F708-Y809 HydrophobicContact CD2-CE2 4.15Å; F708-Y809 HydrophobicContact CE2-CD2 4.32Å
709	Q	84.6	Confident	73.3	Confident	67 Å²	67	64 Å²	64	31%	0.313	34%	0.337	S	S	.	.			trans	-129.2	111.6	-176.1	-58.7	173.6	-68.1	0	0	109.6	Y679 H807 N808	Y679-Q709 HydrophobicContact CD1-CB 4.01Å; Y679-Q709 HydrophobicContact CD1-CG 4.4Å; Y679-Q709 HydrophobicContact CD2-CB 4.07Å; Y679-Q709 HydrophobicContact CD2-CG 3.68Å; Y679-Q709 HydrophobicContact CE1-CB 4.2Å; Y679-Q709 HydrophobicContact CE1-CG 4.35Å; Y679-Q709 HydrophobicContact CE2-CB 4.29Å; Y679-Q709 HydrophobicContact CE2-CG 3.63Å; Y679-Q709 HydrophobicContact CG-CB 3.94Å; Y679-Q709 HydrophobicContact CG-CG 4.09Å; Y679-Q709 PolarHBondContact OH-NE2 3.3Å; Y679-Q709 VanDerWaalsContact OH-NE2 3.16Å; Q709-H807 CarbonylContact O-C 3.48Å; Q709-H807 WeakPolarHBondContact O-CA 3.35Å; Q709-H807 WeakPolarHBondContact O-CB 3.35Å; Q709-N808 HydrophobicContact CB-CB 4.23Å; Q709-N808 WeakPolarHBondContact CG-ND2 2.89Å; Q709-N808 PolarHBondContact N-OD1 3.05Å; Q709-N808 PolarHBondContact O-N 3.09Å; Q709-N808 PolarHBondContact OE1-ND2 2.57Å
710	I	86.2	Confident	71.3	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.015	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	132.2	166.6	-57.9	-179.4	0	0	0	108.3	L674 Y679 L681 Y698 F708 I713 C805 A806	L674-I710 HydrophobicContact CD1-CB 3.92Å; L674-I710 HydrophobicContact CD1-CG2 3.95Å; L674-I710 HydrophobicContact CD2-CG2 4.13Å; Y679-I710 WeakPolarHBondContact CD1-O 3.46Å; L681-I710 HydrophobicContact CD1-CD1 3.96Å; L681-I710 HydrophobicContact CD2-CD1 4.11Å; L681-I710 HydrophobicContact CG-CD1 3.84Å; Y698-I710 HydrophobicContact CE2-CD1 4.38Å; Y698-I710 WeakPolarHBondContact OH-CD1 3.34Å; F708-I710 HydrophobicContact CD1-CG1 4.25Å; F708-I710 HydrophobicContact CE1-CD1 4.07Å; F708-I710 HydrophobicContact CE1-CG1 3.47Å; F708-I710 VanDerWaalsContact CE1-CG1 3.47Å; F708-I710 HydrophobicContact CZ-CG1 4.22Å; I710-I713 HydrophobicContact CG2-CG2 3.61Å; I710-C805 HydrophobicContact CD1-CB 4.44Å; I710-C805 HydrophobicContact CG2-CB 4.48Å; I710-A806 CarbonylContact C-O 3.49Å; I710-A806 WeakPolarHBondContact CA-O 3.46Å
711	M	81.7	Confident	69.4	Low	73 Å²	73	68.3 Å²	68.3	36%	0.36	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-42.4	-177.9	-61.8	170.9	72.2	0	0	111.1	Q382 P383 A806	Q382-M711 HydrophobicContact CG-CE 4.32Å; P383-M711 HydrophobicContact CG-CB 3.99Å; P383-M711 HydrophobicContact CG-CE 4.48Å; P383-M711 HydrophobicContact CG-SD 4.3Å; M711-A806 PolarHBondContact N-O 3.01Å
712	A	85.6	Confident	68	Low	7 Å²	7	69.9 Å²	69.9	6%	0.058	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	154.2	176.7	0	0	0	0	0	110.8	P383 A806	P383-A712 WeakPolarHBondContact O-CB 3.15Å; A712-A806 HydrophobicContact CB-CB 4.29Å; A712-A806 PolarHBondContact O-N 2.93Å
713	I	91.3	Very high	66.6	Low	0 Å²	0	77.6 Å²	77.6	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	141.8	177	55.8	174.6	0	0	0	110.5	H662 I664 I672 L674 L681 I710 I803 M804	H662-I713 HydrophobicContact CB-CG1 4.18Å; H662-I713 WeakPolarHBondContact CE1-CA 3.07Å; H662-I713 WeakPolarHBondContact CE1-CB 3.45Å; H662-I713 WeakPolarHBondContact CE1-CG1 3.43Å; H662-I713 PolarHBondContact CE1-N 3.41Å; H662-I713 PolarHBondContact CE1-O 3.19Å; H662-I713 WeakPolarHBondContact ND1-CG1 3.12Å; H662-I713 PolarHBondContact ND1-N 2.87Å; H662-I713 PolarHBondContact ND1-O 2.98Å; H662-I713 PolarHBondContact NE2-O 2.89Å; I664-I713 HydrophobicContact CD1-CB 4.16Å; I664-I713 HydrophobicContact CD1-CD1 3.92Å; I664-I713 HydrophobicContact CD1-CG1 4.02Å; I664-I713 HydrophobicContact CG1-CD1 3.87Å; I664-I713 HydrophobicContact CG1-CG1 4.25Å; I664-I713 HydrophobicContact CG2-CG1 4.13Å; I664-I713 WeakPolarHBondContact CG2-O 3.4Å; I672-I713 HydrophobicContact CG2-CD1 4.14Å; L674-I713 HydrophobicContact CB-CD1 4.09Å; L681-I713 HydrophobicContact CD1-CG2 4.23Å; L681-I713 HydrophobicContact CD2-CD1 3.98Å; L681-I713 HydrophobicContact CD2-CG2 3.78Å; I710-I713 HydrophobicContact CG2-CG2 3.61Å; I713-I803 HydrophobicContact CB-CG2 3.89Å; I713-I803 HydrophobicContact CG2-CG2 4.16Å; I713-M804 CarbonylContact C-O 3.59Å; I713-M804 VanDerWaalsContact CA-O 3.26Å; I713-M804 WeakPolarHBondContact CA-O 3.3Å
714	Q	90	Very high	65.2	Low	7 Å²	7	72.5 Å²	72.5	3%	0.033	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	138.9	-179.8	-65.7	-70.2	-1.2	0	0	110.4	I384 D385 M386 H662 I803 M804	I384-Q714 PolarHBondContact O-NE2 3.3Å; D385-Q714 WeakPolarHBondContact OD1-CG 3.26Å; D385-Q714 PolarHBondContact OD1-NE2 3.07Å; D385-Q714 VanDerWaalsContact OD1-NE2 3.11Å; M386-Q714 HydrophobicContact CE-CB 4.12Å; M386-Q714 HydrophobicContact CE-CG 3.83Å; H662-Q714 VanDerWaalsContact NE2-CD 3.31Å; H662-Q714 PolarHBondContact NE2-NE2 3.25Å; Q714-I803 CarbonylContact O-C 3.59Å; Q714-I803 WeakPolarHBondContact O-CA 3.38Å; Q714-M804 HydrophobicContact CB-CB 4.38Å; Q714-M804 PolarHBondContact N-O 3.26Å; Q714-M804 PolarHBondContact O-N 2.98Å
715	P	90.1	Very high	63.7	Low	15 Å²	15	71.3 Å²	71.3	10%	0.097	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	143.9	178.4	31.1	-34.6	0	0	0	111.3	I664 Y665 Y717	I664-P715 HydrophobicContact CD1-CB 4.4Å; Y665-P715 VanDerWaalsContact O-CB 3.24Å; Y665-P715 WeakPolarHBondContact O-CB 2.86Å; P715-Y717 HydrophobicContact CB-CE1 4.43Å; P715-Y717 HydrophobicContact CB-CE2 4.08Å; P715-Y717 HydrophobicContact CG-CD2 4.26Å; P715-Y717 HydrophobicContact CG-CE2 3.43Å; P715-Y717 VanDerWaalsContact CG-CE2 3.43Å
716	V	84.9	Confident	62.4	Low	5 Å²	5	72 Å²	72	3%	0.03	38%	0.379	C	S	.	.			trans	-87.5	119.8	172	-180	0	0	0	0	109.6	L388 S667 I796 L799 G802 M804 V813	L388-V716 HydrophobicContact CD1-CG1 4.42Å; S667-V716 WeakPolarHBondContact CB-O 3.35Å; S667-V716 PolarHBondContact OG-O 3.21Å; V716-I796 HydrophobicContact CG1-CG2 4.27Å; V716-L799 HydrophobicContact CG1-CB 4.02Å; V716-G802 PolarHBondContact N-O 2.87Å; V716-M804 HydrophobicContact CG2-CG 3.77Å; V716-V813 HydrophobicContact CG2-CG1 3.84Å
717	Y	77.6	Confident	60.6	Low	53 Å²	53	69.6 Å²	69.6	21%	0.208	38%	0.382	C	S	.	.			trans	-109.7	153.2	173.2	-62.7	-61.7	0	0	0	111.1	H576 Y665 P715	H576-Y717 AromaticContact CD2-CE2 3.84Å; H576-Y717 AromaticContact CD2-CZ 3.53Å; H576-Y717 PolarHBondContact CD2-OH 2.91Å; H576-Y717 AromaticContact NE2-CD2 3.76Å; H576-Y717 AromaticContact NE2-CE2 3.44Å; H576-Y717 WeakPolarHBondContact NE2-CE2 3.12Å; Y665-Y717 PolarHBondContact O-OH 3Å; P715-Y717 HydrophobicContact CB-CE1 4.43Å; P715-Y717 HydrophobicContact CB-CE2 4.08Å; P715-Y717 HydrophobicContact CG-CD2 4.26Å; P715-Y717 HydrophobicContact CG-CE2 3.43Å; P715-Y717 VanDerWaalsContact CG-CE2 3.43Å
718	S	62.1	Low	58.5	Low	42 Å²	42	69.7 Å²	69.7	29%	0.294	39%	0.392	S	S	.	.			trans	-90.4	108.6	164.4	-44.5	0	0	0	0	107.6	E720 D797	S718-E720 PolarHBondContact O-N 3.39Å; S718-D797 PolarHBondContact OG-OD1 2.97Å
719	D	52.6	Low	56	Low	69 Å²	69	73.4 Å²	73.4	37%	0.369	42%	0.419	S	S	.	.			trans	-75	65.7	174.5	-66.8	-73.8	0	0	0	111.4	K387	K387-D719 WeakPolarHBondContact CE-OD2 3.14Å; K387-D719 IonicContact NZ-OD1 3.85Å; K387-D719 PolarHBondContact NZ-OD1 3.26Å; K387-D719 IonicContact NZ-OD2 2.75Å; K387-D719 PolarHBondContact NZ-OD2 2.82Å
720	E	41.9	Very low	53.2	Low	92 Å²	92	76 Å²	76	43%	0.43	44%	0.439	S	S	.	.			trans	-111.8	-0.2	177.7	-61.5	-149.8	143.2	0	0	114	S718 S793	S718-E720 PolarHBondContact O-N 3.39Å; E720-S793 VanDerWaalsContact CD-CB 3.48Å; E720-S793 VanDerWaalsContact OE1-CA 3.3Å; E720-S793 WeakPolarHBondContact OE1-CA 3.26Å; E720-S793 WeakPolarHBondContact OE1-CB 3.47Å; E720-S793 WeakPolarHBondContact OE2-CB 3.38Å
721	I	31.6	Very low	50.2	Low	153 Å²	153	81.7 Å²	81.7	79%	0.785	47%	0.474	S	S	*	.	S	Bend	trans	-132	122.7	-167.8	-47.7	-174.4	0	0	0	112.6
722	V	33.1	Very low	47.6	Very low	84 Å²	84	83.5 Å²	83.5	51%	0.509	49%	0.49	S	S	.	.			trans	95.8	74.4	174.8	-160.7	0	0	0	0	116.5
723	H	27.9	Very low	44.7	Very low	200 Å²	200	89 Å²	89	93%	0.926	52%	0.523	S	S	*	.			trans	-103.5	79.9	133.7	-81.7	9.4	0	0	0	107.9
724	S	24.9	Very low	41.7	Very low	89 Å²	89	95.7 Å²	95.7	62%	0.622	56%	0.559	S	S	*	*			trans	-137.8	122.5	-178.9	-52.5	0	0	0	0	109.6
725	A	25.2	Very low	38.6	Very low	92 Å²	92	102.1 Å²	102.1	76%	0.76	60%	0.598	S	S	*	*	S	Bend	trans	57	72.2	174	0	0	0	0	0	116.5
726	N	27.1	Very low	35.7	Very low	149 Å²	149	105.8 Å²	105.8	80%	0.797	62%	0.624	S	S	*	*			trans	-146.8	33.5	135.8	-114	-3.4	0	0	0	113.9	T728	N726-T728 PolarHBondContact O-N 3.01Å; N726-T728 VanDerWaalsContact O-N 3.12Å
727	S	25.7	Very low	33	Very low	108 Å²	108	111.6 Å²	111.6	76%	0.755	66%	0.66	S	S	*	*			trans	-81.9	61.4	161.7	58.2	0	0	0	0	110.1	T729	S727-T729 VanDerWaalsContact C-N 3.31Å; S727-T729 PolarHBondContact O-N 3.31Å
728	T	26.1	Very low	30.5	Very low	112 Å²	112	117.9 Å²	117.9	69%	0.687	69%	0.693	S	S	*	*			trans	-65.6	95.1	165.3	37.3	0	0	0	0	108.1	N726 T730	N726-T728 PolarHBondContact O-N 3.01Å; N726-T728 VanDerWaalsContact O-N 3.12Å; T728-T730 PolarHBondContact O-N 3.02Å
729	T	25.7	Very low	29	Very low	122 Å²	122	121.7 Å²	121.7	75%	0.748	72%	0.72	S	S	*	*			trans	-58.4	110.8	169.8	37.4	0	0	0	0	108.7	S727 T731	S727-T729 VanDerWaalsContact C-N 3.31Å; S727-T729 PolarHBondContact O-N 3.31Å; T729-T731 PolarHBondContact O-N 3.27Å
730	T	25.7	Very low	27.7	Very low	121 Å²	121	123.2 Å²	123.2	74%	0.742	74%	0.736	S	S	*	*			trans	-62.3	99.2	171.3	30.7	0	0	0	0	108.7	T728 T732	T728-T730 PolarHBondContact O-N 3.02Å; T730-T732 PolarHBondContact O-N 2.98Å
731	T	24.3	Very low	27.1	Very low	122 Å²	122	126.9 Å²	126.9	75%	0.748	76%	0.757	S	S	*	*			trans	-73.3	71.2	175.6	30.7	0	0	0	0	110.3	T729 T733	T729-T731 PolarHBondContact O-N 3.27Å; T731-T733 VanDerWaalsContact C-N 3.32Å; T731-T733 PolarHBondContact O-N 2.95Å
732	T	27.2	Very low	26.9	Very low	112 Å²	112	126.1 Å²	126.1	69%	0.687	76%	0.755	S	S	*	*			trans	-71	85.4	172.2	39.7	0	0	0	0	110.2	T730 N734	T730-T732 PolarHBondContact O-N 2.98Å; T732-N734 PolarHBondContact O-N 2.79Å
733	T	24.7	Very low	26.7	Very low	122 Å²	122	131.1 Å²	131.1	75%	0.748	77%	0.772	S	S	*	*			trans	-71.6	63.2	173.6	53.2	0	0	0	0	111.8	T731 T735	T731-T733 VanDerWaalsContact C-N 3.32Å; T731-T733 PolarHBondContact O-N 2.95Å; T733-T735 PolarHBondContact O-N 3.1Å
734	N	27.5	Very low	26.7	Very low	141 Å²	141	125.7 Å²	125.7	75%	0.754	76%	0.757	S	S	*	*			trans	-89.7	85.2	175.8	-78.8	5.3	0	0	0	110.5	T732 S736	T732-N734 PolarHBondContact O-N 2.79Å; N734-S736 PolarHBondContact O-N 3.3Å
735	T	24.4	Very low	26.7	Very low	141 Å²	141	126 Å²	126	87%	0.865	76%	0.759	S	S	*	*			trans	-83.8	85	174.3	47	0	0	0	0	111.6	T733	T733-T735 PolarHBondContact O-N 3.1Å
736	S	28.7	Very low	26.9	Very low	92 Å²	92	132.6 Å²	132.6	64%	0.643	77%	0.766	S	S	*	*			trans	-154.5	123.7	169.8	56.7	0	0	0	0	114.7	N734	N734-S736 PolarHBondContact O-N 3.3Å
737	T	29.2	Very low	27	Very low	127 Å²	127	130.7 Å²	130.7	78%	0.779	76%	0.764	S	S	*	*			trans	53.3	93.8	146.9	56.7	0	0	0	0	120.2
738	M	25.9	Very low	27	Very low	185 Å²	185	132.6 Å²	132.6	91%	0.911	77%	0.766	S	S	*	*				32.8	104	115.4	-74.6	-73.6	162.2	0	0	119
739	S	29	Very low	27.3	Very low	122 Å²	122	136.5 Å²	136.5	85%	0.853	78%	0.776	S	S	*	*			trans	-149.4	108.9	140.2	58.9	0	0	0	0	110.6
740	S	25.3	Very low	27.4	Very low	102 Å²	102	137.8 Å²	137.8	71%	0.713	77%	0.773	S	S	*	*			trans	-96.2	124.5	-179.5	55.8	0	0	0	0	111.5
741	I	30.3	Very low	27.6	Very low	168 Å²	168	140.2 Å²	140.2	86%	0.862	78%	0.776	S	S	*	*			trans	-127.6	125.8	157.7	-63	-176.9	0	0	0	107.9
742	N	26.9	Very low	27.7	Very low	138 Å²	138	142.4 Å²	142.4	74%	0.738	78%	0.778	S	S	*	*			trans	-83.6	146.9	178.3	-69.4	-44.8	0	0	0	110.9
743	H	28.3	Very low	27.8	Very low	188 Å²	188	145.1 Å²	145.1	87%	0.87	78%	0.783	S	S	*	*			trans	-145.7	90.3	143.3	-120.1	-66	0	0	0	113.4
744	S	27.9	Very low	27.8	Very low	87 Å²	87	148 Å²	148	61%	0.608	79%	0.788	S	S	*	*			trans	-52.6	159.7	146.5	43.5	0	0	0	0	112
745	S	24.9	Very low	27.9	Very low	96 Å²	96	148 Å²	148	67%	0.671	79%	0.793	S	S	*	*			cis	-171.6	-172.7	-7.2	-93.5	0	0	0	0	108.2
746	Y	30.1	Very low	28	Very low	229 Å²	229	146.9 Å²	146.9	90%	0.898	79%	0.786	S	S	*	*			trans	78.3	146.9	172.5	-59.8	-84	0	0	0	115.9
747	S	29.9	Very low	28	Very low	110 Å²	110	152.1 Å²	152.1	77%	0.769	79%	0.793	S	S	*	*			cis	-146.7	168.1	-5.4	-158.1	0	0	0	0	112.2
748	N	25.9	Very low	28.1	Very low	148 Å²	148	155.5 Å²	155.5	79%	0.791	79%	0.793	S	S	*	*			trans	-73.7	155.4	172.8	-69.4	-51.5	0	0	0	113.1
749	H	31.7	Very low	28.2	Very low	193 Å²	193	154 Å²	154	89%	0.894	79%	0.788	S	S	*	*			trans	-148.2	139.8	137.5	-123.7	-59.6	0	0	0	112.4
750	H	28.3	Very low	28.2	Very low	149 Å²	149	151.9 Å²	151.9	69%	0.69	79%	0.786	S	S	*	*			trans	-73.2	145.7	176	-81.6	-85.7	0	0	0	113.1
751	H	30.2	Very low	28.4	Very low	173 Å²	173	153.7 Å²	153.7	80%	0.801	79%	0.788	S	S	*	*				-143.6	120.9	122.2	-117.3	53.9	0	0	0	112.3
752	Q	25.6	Very low	28.3	Very low	167 Å²	167	151 Å²	151	78%	0.78	78%	0.779	S	S	*	*			trans	-96.6	140.1	159.6	-74.2	176	-41.1	0	0	107.9
753	Q	29.5	Very low	28.6	Very low	170 Å²	170	152.9 Å²	152.9	79%	0.794	78%	0.783	S	S	*	*			trans	-141.6	116	149.7	-99.5	178.1	42.2	0	0	109
754	Q	23.9	Very low	28.5	Very low	183 Å²	183	150.1 Å²	150.1	86%	0.855	78%	0.775	S	S	*	*			trans	-107.7	132.9	158.9	-74.3	-177.7	-13.6	0	0	107.5
755	T	30.9	Very low	28.8	Very low	141 Å²	141	153.8 Å²	153.8	87%	0.865	78%	0.782	S	S	*	*			trans	-136.3	135.9	154.4	41.3	0	0	0	0	108.8
756	T	25.5	Very low	28.9	Very low	116 Å²	116	153 Å²	153	71%	0.712	78%	0.776	S	S	*	*			trans	-102.5	156.5	-173.2	46.1	0	0	0	0	111.4
757	Y	29.9	Very low	28.8	Very low	203 Å²	203	148.7 Å²	148.7	80%	0.796	77%	0.769	S	S	*	*			trans	167.3	142.8	150	-87.5	-55.2	0	0	0	107.1
758	Y	29.6	Very low	28.8	Very low	198 Å²	198	151.3 Å²	151.3	78%	0.776	77%	0.769	S	S	*	*			cis	-141.8	171.8	12	-127.1	-78.2	0	0	0	112
759	N	27.8	Very low	28.8	Very low	153 Å²	153	152 Å²	152	82%	0.818	77%	0.773	S	S	*	*			trans	-69.8	165	-176.9	-74	-36.6	0	0	0	116.8
760	G	29.6	Very low	28.6	Very low	78 Å²	78	146.6 Å²	146.6	80%	0.804	77%	0.769	S	S	*	*			trans	-168	23.6	179	0	0	0	0	0	121.6
761	N	29.6	Very low	28.5	Very low	140 Å²	140	147 Å²	147	75%	0.749	78%	0.776	S	S	*	*			trans	38.6	119.3	159.4	-76.1	15.4	0	0	0	123.7
762	T	28.2	Very low	28.5	Very low	110 Å²	110	146.5 Å²	146.5	68%	0.675	78%	0.779	S	S	*	*			trans	42.2	131.2	130.6	62.3	0	0	0	0	121.1
763	H	33.3	Very low	28.4	Very low	179 Å²	179	147.2 Å²	147.2	83%	0.829	78%	0.78	S	S	*	*				-156.7	169.3	77.3	-117.3	-82.2	0	0	0	115.7
764	N	26.7	Very low	28.2	Very low	129 Å²	129	146.1 Å²	146.1	69%	0.69	78%	0.779	S	S	*	*			trans	-89.4	176.9	-171.7	-67.3	-21.7	0	0	0	115.9
765	H	32.9	Very low	28.2	Very low	164 Å²	164	145.7 Å²	145.7	76%	0.759	77%	0.774	S	S	*	*			trans	91.5	146.7	158.3	-61.5	-71	0	0	0	118.7
766	S	28.9	Very low	27.8	Very low	79 Å²	79	145.8 Å²	145.8	55%	0.552	77%	0.768	S	S	*	*			cis	161.1	129	-44.9	53.3	0	0	0	0	109
767	N	26	Very low	27.6	Very low	139 Å²	139	149.9 Å²	149.9	74%	0.743	78%	0.777	S	S	*	*			trans	63.1	162.6	161.2	-61.6	27.1	0	0	0	115.4
768	E	30	Very low	27.3	Very low	166 Å²	166	145.6 Å²	145.6	78%	0.776	78%	0.776	S	S	*	*			cis	-147.8	-175	-1.6	-140.1	155	-112.3	0	0	112.6
769	N	26.5	Very low	27	Very low	163 Å²	163	144.7 Å²	144.7	87%	0.872	78%	0.776	S	S	*	*			trans	-70.3	151.1	-178	-70.5	-61.8	0	0	0	114.3
770	G	28.1	Very low	26.9	Very low	78 Å²	78	146.1 Å²	146.1	80%	0.804	78%	0.778	S	S	*	*			trans	-154.6	104.3	170	0	0	0	0	0	112.7
771	N	25.7	Very low	26.5	Very low	158 Å²	158	146.5 Å²	146.5	85%	0.845	77%	0.768	S	S	*	*			trans	-66.1	143.3	179.6	-69.8	-59.9	0	0	0	112.6
772	N	30	Very low	26.3	Very low	162 Å²	162	148.8 Å²	148.8	87%	0.866	77%	0.772	S	S	*	*			trans	-161.8	158.1	131	-113.8	-51.7	0	0	0	115.7
773	K	24.7	Very low	25.9	Very low	182 Å²	182	149.5 Å²	149.5	79%	0.791	78%	0.776	S	S	*	*			trans	-73	144.7	-179.7	-59.1	164.4	179.5	170.9	0	111.3
774	L	24.5	Very low	25.5	Very low	148 Å²	148	147.4 Å²	147.4	78%	0.775	78%	0.776	S	S	*	*				162.7	136.1	115.8	-85.9	161.7	0	0	0	114.6
775	K	23.9	Very low	25.5	Very low	174 Å²	174	145.5 Å²	145.5	76%	0.757	78%	0.778	S	S	*	*			trans	71.1	127.7	140.8	-77	178.7	175.5	179.7	0	123
776	L	22.5	Very low	25	Very low	142 Å²	142	144.8 Å²	144.8	74%	0.743	79%	0.785	S	S	*	*			trans	73.7	111.8	143.2	-85.2	85.1	0	0	0	121.4
777	F	21.7	Very low	24.9	Very low	203 Å²	203	146.2 Å²	146.2	89%	0.89	80%	0.796	S	S	*	*			trans	34.5	130.9	130.1	-70	-73.5	0	0	0	122.5
778	S	22.7	Very low	24.8	Very low	112 Å²	112	147.7 Å²	147.7	78%	0.783	80%	0.803	S	S	*	*			trans	113.5	145.3	136.5	-159.6	0	0	0	0	116.8
779	K	24.2	Very low	24.6	Very low	179 Å²	179	145.3 Å²	145.3	78%	0.778	80%	0.804	S	S	*	*			trans	71	94.2	180	-57.1	-177.7	178.6	-177.3	0	116.7	S781	K779-S781 VanDerWaalsContact C-N 3.33Å; K779-S781 PolarHBondContact O-N 3.25Å; K779-S781 VanDerWaalsContact O-N 3.11Å
780	H	25.2	Very low	24.9	Very low	184 Å²	184	140.9 Å²	140.9	85%	0.852	78%	0.784	S	S	*	*			trans	-68.2	95.7	142.7	-79.8	-81	0	0	0	108.8
781	S	21.6	Very low	25.2	Very low	85 Å²	85	142.3 Å²	142.3	59%	0.594	78%	0.782	S	S	*	*			trans	-97.4	113.3	158.5	-67.2	0	0	0	0	107.5	K779 T783	K779-S781 VanDerWaalsContact C-N 3.33Å; K779-S781 PolarHBondContact O-N 3.25Å; K779-S781 VanDerWaalsContact O-N 3.11Å; S781-T783 PolarHBondContact O-N 2.91Å
782	F	24.9	Very low	25.7	Very low	189 Å²	189	135.9 Å²	135.9	83%	0.829	75%	0.749	S	S	*	*			trans	-74.4	111.7	172.6	-85.6	-87.5	0	0	0	109.4
783	T	21	Very low	26.2	Very low	124 Å²	124	129 Å²	129	76%	0.761	71%	0.714	S	S	*	*			trans	-137.7	72.6	175.1	52.8	0	0	0	0	110.9	S781	S781-T783 PolarHBondContact O-N 2.91Å
784	T	24.1	Very low	27.1	Very low	136 Å²	136	125.9 Å²	125.9	83%	0.834	70%	0.702	S	S	*	*			trans	-155.4	149.6	162	19.1	0	0	0	0	107.1
785	A	26.2	Very low	28.5	Very low	89 Å²	89	119.6 Å²	119.6	74%	0.736	67%	0.671	S	S	*	*			cis	-120.5	161.1	12.3	0	0	0	0	0	113.8
786	T	23.5	Very low	30.1	Very low	148 Å²	148	111.7 Å²	111.7	91%	0.908	64%	0.637	S	S	*	*			trans	-82.9	117.6	165.6	45.9	0	0	0	0	110.3
787	S	26.3	Very low	32	Very low	110 Å²	110	108.8 Å²	108.8	77%	0.769	62%	0.622	S	S	*	*			trans	-134.9	163.8	165.9	55	0	0	0	0	110.2
788	L	24.6	Very low	34.1	Very low	170 Å²	170	102.7 Å²	102.7	89%	0.89	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-57.5	148.5	-159.6	-65.8	85.7	0	0	0	114.5	P790	L788-P790 VanDerWaalsContact O-CD 3.3Å; L788-P790 WeakPolarHBondContact O-CD 3.32Å
789	S	25.6	Very low	36.6	Very low	115 Å²	115	97.4 Å²	97.4	80%	0.804	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-71.3	122.7	-168	53.9	0	0	0	0	115.6
790	P	32.8	Very low	39.3	Very low	70 Å²	70	94.6 Å²	94.6	46%	0.455	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-85.1	126.8	148	32.7	-27.8	0	0	0	109.4	L788 S793	L788-P790 VanDerWaalsContact O-CD 3.3Å; L788-P790 WeakPolarHBondContact O-CD 3.32Å; P790-S793 PolarHBondContact O-OG 3.07Å
791	S	32.8	Very low	42.2	Very low	108 Å²	108	85.8 Å²	85.8	76%	0.755	50%	0.502	S	S	*	.	S	Bend	trans	-79.4	-9.7	173.2	51	0	0	0	0	113.1
792	S	37.8	Very low	45.5	Very low	23 Å²	23	81.8 Å²	81.8	16%	0.161	47%	0.473	C	S	.	.	S	Bend	trans	-81.8	-41.6	-174.7	51	0	0	0	0	114.3	C397 Q794 S795	C397-S792 WeakPolarHBondContact SG-CB 3.48Å; S792-Q794 PolarHBondContact O-N 3.31Å; S792-Q794 VanDerWaalsContact O-N 3.15Å; S792-S795 VanDerWaalsContact O-CB 3.26Å; S792-S795 WeakPolarHBondContact O-CB 3.44Å; S792-S795 PolarHBondContact O-N 3.16Å; S792-S795 PolarHBondContact O-OG 2.82Å
793	S	39.1	Very low	48.6	Very low	18 Å²	18	72.8 Å²	72.8	13%	0.126	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-51	-40	-179.2	59.4	0	0	0	0	113	E720 P790 S795 I796 D797	E720-S793 VanDerWaalsContact CD-CB 3.48Å; E720-S793 VanDerWaalsContact OE1-CA 3.3Å; E720-S793 WeakPolarHBondContact OE1-CA 3.26Å; E720-S793 WeakPolarHBondContact OE1-CB 3.47Å; E720-S793 WeakPolarHBondContact OE2-CB 3.38Å; P790-S793 PolarHBondContact O-OG 3.07Å; S793-S795 PolarHBondContact O-N 3.24Å; S793-I796 PolarHBondContact O-N 2.93Å; S793-D797 PolarHBondContact O-N 3Å
794	Q	43.5	Very low	51.7	Low	116 Å²	116	67 Å²	67	54%	0.542	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-57.1	-9.9	177.2	-55.4	-172.4	15.9	0	0	114.1	S792 K798	S792-Q794 PolarHBondContact O-N 3.31Å; S792-Q794 VanDerWaalsContact O-N 3.15Å; Q794-K798 WeakPolarHBondContact O-CD 3.17Å; Q794-K798 WeakPolarHBondContact O-CE 3.29Å; Q794-K798 VanDerWaalsContact O-CG 3.26Å; Q794-K798 WeakPolarHBondContact O-CG 3.48Å; Q794-K798 PolarHBondContact O-NZ 3Å
795	S	55	Low	54.7	Low	17 Å²	17	60.6 Å²	60.6	12%	0.119	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-75.7	-52.3	178.9	63.3	0	0	0	0	112.9	S792 S793	S792-S795 VanDerWaalsContact O-CB 3.26Å; S792-S795 WeakPolarHBondContact O-CB 3.44Å; S792-S795 PolarHBondContact O-N 3.16Å; S792-S795 PolarHBondContact O-OG 2.82Å; S793-S795 PolarHBondContact O-N 3.24Å
796	I	58.2	Low	57.3	Low	8 Å²	8	56.3 Å²	56.3	4%	0.041	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-30.1	-179.4	-69.5	-170	0	0	0	112.4	L388 I390 I399 V716 S793 K798 L799	L388-I796 HydrophobicContact CB-CD1 4.47Å; I390-I796 HydrophobicContact CD1-CB 4.47Å; I390-I796 HydrophobicContact CD1-CD1 3.86Å; I390-I796 HydrophobicContact CD1-CG1 3.96Å; I390-I796 HydrophobicContact CG1-CD1 3.47Å; I390-I796 VanDerWaalsContact CG1-CD1 3.47Å; I390-I796 HydrophobicContact CG1-CG1 4.06Å; I399-I796 HydrophobicContact CD1-CD1 4.18Å; I399-I796 HydrophobicContact CD1-CG1 3.87Å; V716-I796 HydrophobicContact CG1-CG2 4.27Å; S793-I796 PolarHBondContact O-N 2.93Å; I796-K798 PolarHBondContact O-N 2.82Å; I796-L799 WeakPolarHBondContact O-CA 3.35Å; I796-L799 VanDerWaalsContact O-CB 3.3Å; I796-L799 WeakPolarHBondContact O-CB 3.42Å; I796-L799 PolarHBondContact O-N 2.86Å
797	D	62.1	Low	60	Low	81 Å²	81	49.3 Å²	49.3	43%	0.433	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-58.4	-24	174.8	-91.7	4.7	0	0	0	113.8	S718 S793 L799 R800	S718-D797 PolarHBondContact OG-OD1 2.97Å; S793-D797 PolarHBondContact O-N 3Å; D797-L799 PolarHBondContact O-N 2.93Å; D797-R800 WeakPolarHBondContact O-CB 3.49Å; D797-R800 PolarHBondContact O-N 2.91Å
798	K	65.1	Low	62.5	Low	75 Å²	75	45.5 Å²	45.5	33%	0.326	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-70.1	-20.1	172.4	-67.5	166.5	-177.6	122.5	0	113.1	Q794 I796 F820	Q794-K798 WeakPolarHBondContact O-CD 3.17Å; Q794-K798 WeakPolarHBondContact O-CE 3.29Å; Q794-K798 VanDerWaalsContact O-CG 3.26Å; Q794-K798 WeakPolarHBondContact O-CG 3.48Å; Q794-K798 PolarHBondContact O-NZ 3Å; I796-K798 PolarHBondContact O-N 2.82Å; K798-F820 HydrophobicContact CB-CE1 4.25Å; K798-F820 HydrophobicContact CB-CE2 3.98Å; K798-F820 HydrophobicContact CB-CZ 3.61Å; K798-F820 HydrophobicContact CD-CE1 4.29Å; K798-F820 HydrophobicContact CD-CZ 4.41Å; K798-F820 HydrophobicContact CG-CZ 4.41Å; K798-F820 VanDerWaalsContact O-CE2 3.24Å; K798-F820 WeakPolarHBondContact O-CE2 3.47Å
799	L	75.2	Confident	64.7	Low	1 Å²	1	39.1 Å²	39.1	1%	0.005	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-93.7	10	175.6	-57.1	178.6	0	0	0	113.1	L366 L388 F427 V716 I796 D797 G801 G802 Y815	L366-L799 HydrophobicContact CD1-CD2 4.23Å; L388-L799 HydrophobicContact CD1-CD1 4.25Å; F427-L799 HydrophobicContact CE2-CD1 4.05Å; F427-L799 HydrophobicContact CZ-CD1 3.87Å; V716-L799 HydrophobicContact CG1-CB 4.02Å; I796-L799 WeakPolarHBondContact O-CA 3.35Å; I796-L799 VanDerWaalsContact O-CB 3.3Å; I796-L799 WeakPolarHBondContact O-CB 3.42Å; I796-L799 PolarHBondContact O-N 2.86Å; D797-L799 PolarHBondContact O-N 2.93Å; L799-G801 PolarHBondContact O-N 3.18Å; L799-G802 WeakPolarHBondContact O-CA 3.5Å; L799-G802 PolarHBondContact O-N 3.3Å; L799-Y815 HydrophobicContact CD2-CD1 4.11Å; L799-Y815 HydrophobicContact CD2-CG 4.14Å
800	R	81.4	Confident	67	Low	119 Å²	119	33.7 Å²	33.7	45%	0.449	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	137	175.4	-169.9	-175.1	174.6	-162.4	-3.7	111.4	S667 D668 D797 G802 P816 L819	S667-R800 PolarHBondContact O-NE 2.76Å; S667-R800 PolarHBondContact O-NH2 2.64Å; D668-R800 HydrophobicContact CB-CG 4.25Å; D797-R800 WeakPolarHBondContact O-CB 3.49Å; D797-R800 PolarHBondContact O-N 2.91Å; R800-G802 PolarHBondContact O-N 3.47Å; R800-P816 WeakPolarHBondContact O-CD 3.32Å; R800-L819 HydrophobicContact CB-CD1 4.29Å; R800-L819 WeakPolarHBondContact O-CD1 3.16Å
801	G	86.6	Confident	69.1	Low	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	8.3	-171.4	0	0	0	0	0	114.3	S667 D668 L799 P816	S667-G801 PolarHBondContact OG-N 3.42Å; D668-G801 WeakPolarHBondContact OD1-CA 3.29Å; L799-G801 PolarHBondContact O-N 3.18Å; G801-P816 WeakPolarHBondContact O-CD 3.49Å
802	G	89	Confident	71.3	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.122	C	C	.	.			trans	-71.7	156	176.5	0	0	0	0	0	112.3	V716 L799 R800 I814	V716-G802 PolarHBondContact N-O 2.87Å; L799-G802 WeakPolarHBondContact O-CA 3.5Å; L799-G802 PolarHBondContact O-N 3.3Å; R800-G802 PolarHBondContact O-N 3.47Å; G802-I814 CarbonylContact C-O 3.59Å; G802-I814 VanDerWaalsContact CA-O 3.23Å; G802-I814 WeakPolarHBondContact CA-O 3.15Å
803	I	90.7	Very high	73.5	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	120.7	-178.1	-52.9	158.6	0	0	0	106.9	F363 I664 T666 I672 L696 I713 Q714 V813 I814	F363-I803 HydrophobicContact CD1-CD1 4.45Å; F363-I803 HydrophobicContact CE1-CD1 3.78Å; F363-I803 HydrophobicContact CE1-CG1 4.42Å; F363-I803 HydrophobicContact CZ-CD1 4.33Å; I664-I803 HydrophobicContact CD1-CG1 4.29Å; I664-I803 HydrophobicContact CD1-CG2 3.75Å; T666-I803 HydrophobicContact CG2-CG1 4.11Å; I672-I803 HydrophobicContact CD1-CD1 4.46Å; I672-I803 HydrophobicContact CG1-CD1 3.95Å; I672-I803 HydrophobicContact CG2-CD1 4.19Å; L696-I803 HydrophobicContact CD1-CD1 3.97Å; I713-I803 HydrophobicContact CB-CG2 3.89Å; I713-I803 HydrophobicContact CG2-CG2 4.16Å; Q714-I803 CarbonylContact O-C 3.59Å; Q714-I803 WeakPolarHBondContact O-CA 3.38Å; I803-V813 CarbonylContact O-C 3.52Å; I803-V813 WeakPolarHBondContact O-CA 3.3Å; I803-I814 HydrophobicContact CB-CD1 4.44Å; I803-I814 HydrophobicContact CB-CG1 3.85Å; I803-I814 HydrophobicContact CD1-CD1 4.13Å; I803-I814 HydrophobicContact CD1-CG1 4.25Å; I803-I814 PolarHBondContact N-O 2.68Å; I803-I814 PolarHBondContact O-N 3.12Å
804	M	87.2	Confident	75.8	Confident	4 Å²	4	23.8 Å²	23.8	2%	0.02	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	130.9	164.7	-54.2	-173.2	72	0	0	108.1	M386 L388 R401 I713 Q714 V716 V813	M386-M804 HydrophobicContact CB-CB 4.23Å; M386-M804 HydrophobicContact CB-CE 3.66Å; M386-M804 HydrophobicContact CB-SD 3.85Å; M386-M804 HydrophobicContact CE-CB 3.87Å; M386-M804 WeakPolarHBondContact CE-O 3.36Å; M386-M804 HydrophobicContact SD-CB 3.87Å; L388-M804 HydrophobicContact CD1-SD 4.43Å; L388-M804 HydrophobicContact CD2-CE 4.03Å; L388-M804 HydrophobicContact CG-CE 3.84Å; L388-M804 HydrophobicContact CG-SD 3.92Å; R401-M804 HydrophobicContact CG-CE 3.98Å; I713-M804 CarbonylContact C-O 3.59Å; I713-M804 VanDerWaalsContact CA-O 3.26Å; I713-M804 WeakPolarHBondContact CA-O 3.3Å; Q714-M804 HydrophobicContact CB-CB 4.38Å; Q714-M804 PolarHBondContact N-O 3.26Å; Q714-M804 PolarHBondContact O-N 2.98Å; V716-M804 HydrophobicContact CG2-CG 3.77Å; M804-V813 HydrophobicContact CE-CG2 4.47Å; M804-V813 HydrophobicContact CG-CG1 4.42Å; M804-V813 HydrophobicContact CG-CG2 4.21Å
805	C	85.8	Confident	77.9	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.1	-179.8	-62.2	0	0	0	0	109	I710 H807 C811 T812	I710-C805 HydrophobicContact CD1-CB 4.44Å; I710-C805 HydrophobicContact CG2-CB 4.48Å; C805-H807 PolarHBondContact O-CD2 2.73Å; C805-H807 VanDerWaalsContact O-CD2 3.23Å; C805-C811 WeakPolarHBondContact O-CA 3.37Å; C805-T812 PolarHBondContact N-O 3.02Å; C805-T812 PolarHBondContact O-N 2.98Å
806	A	82.3	Confident	79.5	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	137.6	168.1	0	0	0	0	0	109.9	I374 P383 M386 I710 M711 A712 C811	I374-A806 HydrophobicContact CD1-CB 4.48Å; P383-A806 HydrophobicContact CB-CB 3.38Å; P383-A806 HydrophobicContact CG-CB 3.38Å; M386-A806 HydrophobicContact CE-CB 3.87Å; M386-A806 HydrophobicContact SD-CB 3.71Å; I710-A806 CarbonylContact C-O 3.49Å; I710-A806 WeakPolarHBondContact CA-O 3.46Å; M711-A806 PolarHBondContact N-O 3.01Å; A712-A806 HydrophobicContact CB-CB 4.29Å; A712-A806 PolarHBondContact O-N 2.93Å; A806-C811 VanDerWaalsContact CA-SG 3.6Å
807	H	80.2	Confident	80.6	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	168	-171.4	52.8	78.4	0	0	0	112.7	F708 Q709 C805 Y809 G810 T812	F708-H807 HydrophobicContact CE1-CB 4.27Å; F708-H807 HydrophobicContact CE2-CB 3.74Å; F708-H807 AromaticContact CE2-CD2 3.77Å; F708-H807 AromaticContact CE2-CE1 3.93Å; F708-H807 AromaticContact CE2-CG 3.41Å; F708-H807 VanDerWaalsContact CE2-CG 3.41Å; F708-H807 AromaticContact CE2-ND1 3.5Å; F708-H807 HydrophobicContact CZ-CB 3.53Å; F708-H807 AromaticContact CZ-CD2 3.48Å; F708-H807 VanDerWaalsContact CZ-CD2 3.48Å; F708-H807 WeakPolarHBondContact CZ-CD2 3.42Å; F708-H807 AromaticContact CZ-CG 3.4Å; F708-H807 AromaticContact CZ-ND1 3.99Å; Q709-H807 CarbonylContact O-C 3.48Å; Q709-H807 WeakPolarHBondContact O-CA 3.35Å; Q709-H807 WeakPolarHBondContact O-CB 3.35Å; C805-H807 PolarHBondContact O-CD2 2.73Å; C805-H807 VanDerWaalsContact O-CD2 3.23Å; H807-Y809 VanDerWaalsContact CE1-C 3.48Å; H807-Y809 PolarHBondContact CE1-O 2.89Å; H807-Y809 PolarHBondContact ND1-N 2.72Å; H807-Y809 PolarHBondContact O-N 2.7Å; H807-G810 VanDerWaalsContact CE1-C 3.42Å; H807-G810 PolarHBondContact N-O 3.32Å; H807-G810 PolarHBondContact ND1-N 2.96Å; H807-G810 PolarHBondContact ND1-O 2.74Å; H807-G810 PolarHBondContact O-N 3.42Å; H807-T812 PolarHBondContact CD2-OG1 3.06Å; H807-T812 VanDerWaalsContact CD2-OG1 3.29Å; H807-T812 PolarHBondContact NE2-N 3.31Å; H807-T812 PolarHBondContact NE2-OG1 2.97Å
808	N	76.9	Confident	80.8	Confident	31 Å²	31	22.6 Å²	22.6	17%	0.166	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	16.9	177.8	68.4	-15.8	0	0	0	116.3	K707 Q709	K707-N808 PolarHBondContact O-ND2 3.03Å; Q709-N808 HydrophobicContact CB-CB 4.23Å; Q709-N808 WeakPolarHBondContact CG-ND2 2.89Å; Q709-N808 PolarHBondContact N-OD1 3.05Å; Q709-N808 PolarHBondContact O-N 3.09Å; Q709-N808 PolarHBondContact OE1-ND2 2.57Å
809	Y	71.7	Confident	80.3	Confident	36 Å²	36	22.6 Å²	22.6	14%	0.141	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.8	24.8	173.1	-55.8	-75.2	0	0	0	111.9	Q704 K706 F708 H807	Q704-Y809 HydrophobicContact CB-CE1 4.17Å; Q704-Y809 HydrophobicContact CG-CE1 4.48Å; K706-Y809 WeakPolarHBondContact CB-OH 3.33Å; K706-Y809 PolarHBondContact O-OH 2.91Å; F708-Y809 AromaticContact CD2-CD2 3.82Å; F708-Y809 HydrophobicContact CD2-CD2 3.82Å; F708-Y809 HydrophobicContact CD2-CE2 4.15Å; F708-Y809 HydrophobicContact CE2-CD2 4.32Å; H807-Y809 VanDerWaalsContact CE1-C 3.48Å; H807-Y809 PolarHBondContact CE1-O 2.89Å; H807-Y809 PolarHBondContact ND1-N 2.72Å; H807-Y809 PolarHBondContact O-N 2.7Å
810	G	73.7	Confident	78.9	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.01	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	107	-137.9	-177.4	0	0	0	0	0	115	H807	H807-G810 VanDerWaalsContact CE1-C 3.42Å; H807-G810 PolarHBondContact N-O 3.32Å; H807-G810 PolarHBondContact ND1-N 2.96Å; H807-G810 PolarHBondContact ND1-O 2.74Å; H807-G810 PolarHBondContact O-N 3.42Å
811	C	76.8	Confident	76.9	Confident	2 Å²	2	22.6 Å²	22.6	1%	0.014	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	138.7	-178	-79.8	0	0	0	0	112.2	C372 I374 M386 R401 C805 A806	C372-C811 PolarHBondContact SG-N 2.87Å; I374-C811 WeakPolarHBondContact CD1-SG 3.46Å; M386-C811 HydrophobicContact SD-CB 4.31Å; M386-C811 PolarHBondContact SD-SG 3.34Å; R401-C811 PolarHBondContact NH1-O 3.24Å; C805-C811 WeakPolarHBondContact O-CA 3.37Å; A806-C811 VanDerWaalsContact CA-SG 3.6Å
812	T	79.3	Confident	74.6	Confident	2 Å²	2	33.2 Å²	33.2	1%	0.012	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	161.5	172.7	37.1	0	0	0	0	109.9	V365 K368 I700 C805 H807	V365-T812 HydrophobicContact CG1-CG2 4.07Å; K368-T812 HydrophobicContact CB-CG2 4.01Å; K368-T812 HydrophobicContact CG-CG2 4.4Å; I700-T812 HydrophobicContact CG2-CG2 4.23Å; C805-T812 PolarHBondContact N-O 3.02Å; C805-T812 PolarHBondContact O-N 2.98Å; H807-T812 PolarHBondContact CD2-OG1 3.06Å; H807-T812 VanDerWaalsContact CD2-OG1 3.29Å; H807-T812 PolarHBondContact NE2-N 3.31Å; H807-T812 PolarHBondContact NE2-OG1 2.97Å
813	V	83.2	Confident	71.9	Confident	7 Å²	7	39.1 Å²	39.1	4%	0.042	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	137.9	166.9	-169.1	0	0	0	0	107.2	L366 L388 V716 I803 M804	L366-V813 WeakPolarHBondContact CA-O 3.47Å; L366-V813 HydrophobicContact CB-CB 3.81Å; L366-V813 WeakPolarHBondContact CB-O 3.44Å; L366-V813 HydrophobicContact CD2-CB 3.7Å; L366-V813 HydrophobicContact CD2-CG1 4.36Å; L366-V813 HydrophobicContact CD2-CG2 3.87Å; L366-V813 HydrophobicContact CG-CB 4.45Å; L366-V813 PolarHBondContact N-O 2.94Å; L388-V813 HydrophobicContact CD1-CG2 4.35Å; V716-V813 HydrophobicContact CG2-CG1 3.84Å; I803-V813 CarbonylContact O-C 3.52Å; I803-V813 WeakPolarHBondContact O-CA 3.3Å; M804-V813 HydrophobicContact CE-CG2 4.47Å; M804-V813 HydrophobicContact CG-CG1 4.42Å; M804-V813 HydrophobicContact CG-CG2 4.21Å
814	I	87.8	Confident	69.1	Low	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	144.1	172.4	67.3	170.2	0	0	0	109.4	F363 H364 V365 L681 Y698 G802 I803	F363-I814 HydrophobicContact CB-CB 4.31Å; F363-I814 HydrophobicContact CB-CD1 4.44Å; F363-I814 HydrophobicContact CD1-CB 4.18Å; F363-I814 HydrophobicContact CD1-CD1 4.01Å; F363-I814 HydrophobicContact CD1-CG1 3.88Å; F363-I814 HydrophobicContact CG-CD1 4.43Å; H364-I814 CarbonylContact O-C 3.53Å; H364-I814 VanDerWaalsContact O-CA 3.24Å; H364-I814 WeakPolarHBondContact O-CA 3.48Å; V365-I814 HydrophobicContact CG2-CG2 4Å; L681-I814 HydrophobicContact CD1-CD1 3.71Å; Y698-I814 HydrophobicContact CD1-CD1 3.65Å; Y698-I814 HydrophobicContact CE1-CD1 3.96Å; Y698-I814 HydrophobicContact CG-CD1 4.15Å; Y698-I814 HydrophobicContact CG-CG2 4.39Å; G802-I814 CarbonylContact C-O 3.59Å; G802-I814 VanDerWaalsContact CA-O 3.23Å; G802-I814 WeakPolarHBondContact CA-O 3.15Å; I803-I814 HydrophobicContact CB-CD1 4.44Å; I803-I814 HydrophobicContact CB-CG1 3.85Å; I803-I814 HydrophobicContact CD1-CD1 4.13Å; I803-I814 HydrophobicContact CD1-CG1 4.25Å; I803-I814 PolarHBondContact N-O 2.68Å; I803-I814 PolarHBondContact O-N 3.12Å
815	Y	87.5	Confident	66.4	Low	13 Å²	13	53.3 Å²	53.3	5%	0.051	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	151.9	-176	60.9	-85	0	0	0	113.1	F363 H364 L366 L799 Q817 F820	F363-Y815 CarbonylContact C-O 3.48Å; F363-Y815 VanDerWaalsContact CA-O 3.23Å; F363-Y815 WeakPolarHBondContact CA-O 3.47Å; F363-Y815 VanDerWaalsContact CD1-C 3.42Å; H364-Y815 HydrophobicContact CB-CD1 4.35Å; H364-Y815 HydrophobicContact CB-CD2 4.25Å; H364-Y815 HydrophobicContact CB-CE1 3.77Å; H364-Y815 HydrophobicContact CB-CE2 3.67Å; H364-Y815 VanDerWaalsContact CB-CZ 3.4Å; H364-Y815 PolarHBondContact N-O 3.2Å; H364-Y815 WeakPolarHBondContact O-CD1 3.07Å; H364-Y815 PolarHBondContact O-N 3.2Å; L366-Y815 HydrophobicContact CB-CD1 4.37Å; L366-Y815 HydrophobicContact CB-CE1 4.17Å; L366-Y815 HydrophobicContact CD1-CD1 4.15Å; L366-Y815 HydrophobicContact CD1-CE1 3.61Å; L799-Y815 HydrophobicContact CD2-CD1 4.11Å; L799-Y815 HydrophobicContact CD2-CG 4.14Å; Y815-Q817 PolarHBondContact O-N 2.84Å; Y815-F820 AromaticContact CD2-CD2 3.83Å; Y815-F820 HydrophobicContact CD2-CD2 3.83Å; Y815-F820 AromaticContact CD2-CE2 3.64Å; Y815-F820 HydrophobicContact CD2-CE2 3.64Å; Y815-F820 AromaticContact CE2-CD2 3.4Å; Y815-F820 HydrophobicContact CE2-CD2 3.4Å; Y815-F820 VanDerWaalsContact CE2-CD2 3.4Å; Y815-F820 AromaticContact CE2-CE2 3.32Å; Y815-F820 HydrophobicContact CE2-CE2 3.32Å; Y815-F820 HydrophobicContact CE2-CG 4.36Å; Y815-F820 HydrophobicContact CE2-CZ 4.24Å
816	P	88	Confident	63.7	Low	4 Å²	4	57.6 Å²	57.6	3%	0.026	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	128.9	-174	-21	31.8	0	0	0	113.4	F363 R800 G801 K818 L819	F363-P816 HydrophobicContact CE1-CG 3.85Å; F363-P816 HydrophobicContact CE2-CG 4.45Å; F363-P816 HydrophobicContact CZ-CB 4.38Å; F363-P816 HydrophobicContact CZ-CG 3.81Å; R800-P816 WeakPolarHBondContact O-CD 3.32Å; G801-P816 WeakPolarHBondContact O-CD 3.49Å; P816-K818 PolarHBondContact O-N 2.89Å; P816-K818 VanDerWaalsContact O-N 3.08Å; P816-L819 HydrophobicContact CB-CD1 4.26Å; P816-L819 HydrophobicContact CG-CD1 4.21Å; P816-L819 PolarHBondContact O-N 2.93Å
817	Q	83.2	Confident	61.1	Low	76 Å²	76	67 Å²	67	36%	0.355	34%	0.337	S	S	.	.	H	α-helix	trans	-57.7	-30.1	-173.7	171	162.8	67.8	0	0	114.8	K362 H364 Y815	K362-Q817 HydrophobicContact CB-CB 4.24Å; K362-Q817 VanDerWaalsContact O-CB 3.22Å; K362-Q817 WeakPolarHBondContact O-CB 3.35Å; K362-Q817 PolarHBondContact O-N 2.98Å; H364-Q817 PolarHBondContact CE1-NE2 2.87Å; H364-Q817 PolarHBondContact NE2-NE2 2.71Å; Y815-Q817 PolarHBondContact O-N 2.84Å
818	K	66.3	Low	58.7	Low	104 Å²	104	73.6 Å²	73.6	45%	0.452	37%	0.371	S	S	.	.	H	α-helix	trans	-79.7	-14.9	-171.5	-69	-167.4	-169.9	159	0	115.8	R359 N360 P816 S821	R359-K818 WeakPolarHBondContact O-CE 3.15Å; R359-K818 PolarHBondContact O-NZ 2.94Å; N360-K818 VanDerWaalsContact OD1-CD 3.31Å; N360-K818 WeakPolarHBondContact OD1-CD 3.43Å; N360-K818 VanDerWaalsContact OD1-CE 3.31Å; N360-K818 WeakPolarHBondContact OD1-CE 3.23Å; N360-K818 PolarHBondContact OD1-NZ 3.36Å; P816-K818 PolarHBondContact O-N 2.89Å; P816-K818 VanDerWaalsContact O-N 3.08Å; K818-S821 PolarHBondContact O-N 3.12Å; K818-S821 PolarHBondContact O-OG 2.87Å
819	L	54.2	Low	56.4	Low	74 Å²	74	77 Å²	77	39%	0.387	40%	0.398	S	S	.	.	H	α-helix	trans	-66	-41.6	178.1	-78.2	156.3	0	0	0	111.1	R800 P816	R800-L819 HydrophobicContact CB-CD1 4.29Å; R800-L819 WeakPolarHBondContact O-CD1 3.16Å; P816-L819 HydrophobicContact CB-CD1 4.26Å; P816-L819 HydrophobicContact CG-CD1 4.21Å; P816-L819 PolarHBondContact O-N 2.93Å
820	F	45.5	Very low	54.5	Low	49 Å²	49	79.4 Å²	79.4	22%	0.215	42%	0.42	C	S	.	.	H	α-helix	trans	-80	-17.6	178.2	-76.1	-97.4	0	0	0	114.3	K798 Y815 R822 N823	K798-F820 HydrophobicContact CB-CE1 4.25Å; K798-F820 HydrophobicContact CB-CE2 3.98Å; K798-F820 HydrophobicContact CB-CZ 3.61Å; K798-F820 HydrophobicContact CD-CE1 4.29Å; K798-F820 HydrophobicContact CD-CZ 4.41Å; K798-F820 HydrophobicContact CG-CZ 4.41Å; K798-F820 VanDerWaalsContact O-CE2 3.24Å; K798-F820 WeakPolarHBondContact O-CE2 3.47Å; Y815-F820 AromaticContact CD2-CD2 3.83Å; Y815-F820 HydrophobicContact CD2-CD2 3.83Å; Y815-F820 AromaticContact CD2-CE2 3.64Å; Y815-F820 HydrophobicContact CD2-CE2 3.64Å; Y815-F820 AromaticContact CE2-CD2 3.4Å; Y815-F820 HydrophobicContact CE2-CD2 3.4Å; Y815-F820 VanDerWaalsContact CE2-CD2 3.4Å; Y815-F820 AromaticContact CE2-CE2 3.32Å; Y815-F820 HydrophobicContact CE2-CE2 3.32Å; Y815-F820 HydrophobicContact CE2-CG 4.36Å; Y815-F820 HydrophobicContact CE2-CZ 4.24Å; F820-R822 PolarHBondContact O-N 2.84Å; F820-N823 PolarHBondContact O-N 3.13Å
821	S	38.4	Very low	52.3	Low	72 Å²	72	83.7 Å²	83.7	50%	0.503	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-69.1	-16.4	-174.8	63.3	0	0	0	0	114.3	K818	K818-S821 PolarHBondContact O-N 3.12Å; K818-S821 PolarHBondContact O-OG 2.87Å
822	R	38.4	Very low	50.1	Low	222 Å²	222	90.5 Å²	90.5	84%	0.838	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-77.7	-17.2	174.1	-82.9	-173.5	167.9	-178.1	-4	114.5	F820	F820-R822 PolarHBondContact O-N 2.84Å
823	N	33.5	Very low	47.8	Very low	124 Å²	124	97.5 Å²	97.5	66%	0.663	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-99.3	8.4	179.2	-72.7	-5.1	0	0	0	113.8	F820 S825	F820-N823 PolarHBondContact O-N 3.13Å; N823-S825 VanDerWaalsContact C-N 3.28Å; N823-S825 PolarHBondContact O-N 3.17Å
824	K	30.9	Very low	45.3	Very low	194 Å²	194	104.1 Å²	104.1	84%	0.843	56%	0.555	S	S	*	*			trans	-88	48.8	174.4	-81.7	-165.3	169.2	-174.1	0	113.5
825	S	31.3	Very low	42.4	Very low	108 Å²	108	109.9 Å²	109.9	76%	0.755	59%	0.594	S	S	*	*	S	Bend	trans	-157.8	62.5	170.7	60.8	0	0	0	0	112.4	N823	N823-S825 VanDerWaalsContact C-N 3.28Å; N823-S825 PolarHBondContact O-N 3.17Å
826	A	29.5	Very low	39.6	Very low	90 Å²	90	115.8 Å²	115.8	74%	0.744	63%	0.632	S	S	*	*	S	Bend	trans	-144.1	-41.2	173.5	0	0	0	0	0	113.3
827	K	27.6	Very low	36.8	Very low	197 Å²	197	127.3 Å²	127.3	86%	0.857	67%	0.674	S	S	*	*	S	Bend	trans	-137.2	104.5	172.6	-69.9	-176.3	178.5	178.4	0	110.4
828	I	30	Very low	34.4	Very low	139 Å²	139	135.3 Å²	135.3	71%	0.713	72%	0.717	S	S	*	*			trans	161.7	66	155	-81.1	153.9	0	0	0	106.2
829	S	28.1	Very low	32.8	Very low	104 Å²	104	136.9 Å²	136.9	73%	0.727	73%	0.731	S	S	*	*	S	Bend	trans	-126.1	3.5	171.1	45.7	0	0	0	0	111.6
830	S	30.6	Very low	31.7	Very low	86 Å²	86	140.2 Å²	140.2	60%	0.601	75%	0.749	S	S	*	*	S	Bend	trans	-114.1	-7.7	-172.6	52.1	0	0	0	0	114.4
831	C	28.9	Very low	31	Very low	90 Å²	90	145.3 Å²	145.3	61%	0.608	78%	0.778	S	S	*	*	S	Bend	trans	-121.4	9	-168.7	-57.4	0	0	0	0	114.8
832	L	30.6	Very low	30.5	Very low	146 Å²	146	149.6 Å²	149.6	76%	0.764	79%	0.794	S	S	*	*	S	Bend	trans	-115.7	1.3	176.5	-88.2	164.3	0	0	0	114.1
833	N	30.7	Very low	30	Very low	148 Å²	148	145.1 Å²	145.1	79%	0.791	79%	0.792	S	S	*	*	S	Bend	trans	-106	19.8	178.5	-74.4	-12.3	0	0	0	113.3
834	L	29.5	Very low	29.8	Very low	146 Å²	146	146.5 Å²	146.5	76%	0.764	80%	0.8	S	S	*	*	S	Bend	trans	-129.1	11.2	-169.2	-106.2	156.1	0	0	0	115.1
835	C	28.4	Very low	29.7	Very low	122 Å²	122	143.1 Å²	143.1	82%	0.824	80%	0.797	S	S	*	*	S	Bend	trans	-128.4	33.4	177.9	-58.5	0	0	0	0	113.3
836	V	29	Very low	29.6	Very low	137 Å²	137	145.8 Å²	145.8	83%	0.83	80%	0.8	S	S	*	*	S	Bend	trans	-134.3	40.3	172.3	-161	0	0	0	0	110.5
837	R	28.6	Very low	29.6	Very low	245 Å²	245	150.4 Å²	150.4	93%	0.925	81%	0.805	S	S	*	*			trans	-153.9	60	171.1	-80.1	-158.4	175.7	-178.9	-1.6	111.9
838	I	33.2	Very low	29.8	Very low	245 Å²	245	146.2 Å²	146.2	100%	1.256	80%	0.8	S	S	*	*			trans	-136.8	0	146.6	-57.4	-175.4	0	0	0	105.1

Retrieved 838 of 838 residues in 340.6 ms (Link to these results)

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