A0A3Q0KGH9_SCHMA Loading...

GTP-binding protein GEM

AlphaFold DB , UniProt , Accession A0A3Q0KGH9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 588 aa.

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	32.6	Very low	46.3	Very low	224 Å²	224	149.3 Å²	149.3	100%	1.103	74%	0.738	S	S	*	*				0	169.8	0	-59.1	-40	-173.8	0	0	108.4
2	D	36.7	Very low	47.1	Very low	149 Å²	149	149.3 Å²	149.3	80%	0.797	72%	0.724	S	S	*	*			trans	66.6	95.2	-176.4	-41.3	-16.6	0	0	0	113.3
3	N	39.1	Very low	47.9	Very low	137 Å²	137	144.1 Å²	144.1	73%	0.733	70%	0.695	S	S	*	*			trans	172.4	62.2	156.5	-93.2	-48.5	0	0	0	112
4	Y	44.1	Very low	48.6	Very low	244 Å²	244	136.8 Å²	136.8	96%	0.957	67%	0.666	S	S	*	*			trans	-141.4	58.8	173.1	-88.6	-77.3	0	0	0	111.6
5	E	48.1	Very low	49.4	Very low	189 Å²	189	133.5 Å²	133.5	88%	0.883	65%	0.649	S	S	*	*			trans	-152.1	19.6	-178.8	-143.7	173.6	-148.4	0	0	113.5
6	I	45.1	Very low	49.7	Very low	127 Å²	127	131.6 Å²	131.6	65%	0.651	64%	0.641	S	S	*	*			trans	-110.8	-2.4	-170.3	-63.3	174.9	0	0	0	112.7
7	S	52.1	Low	49.9	Very low	87 Å²	87	127.1 Å²	127.1	61%	0.608	63%	0.631	S	S	*	*	H	α-helix	trans	-66	-56.2	-178.1	-166	0	0	0	0	112.4	D9 F10 E11	S7-D9 VanDerWaalsContact C-N 3.3Å; S7-D9 PolarHBondContact O-N 3.09Å; S7-F10 WeakPolarHBondContact O-CB 3.5Å; S7-F10 PolarHBondContact O-N 2.98Å; S7-E11 PolarHBondContact O-N 2.61Å
8	D	53.8	Low	50	Low	125 Å²	125	128.4 Å²	128.4	67%	0.668	64%	0.635	S	S	*	*	H	α-helix	trans	-62.7	-34.1	-166.8	-57.1	25.8	0	0	0	113.2	F10 E11 R12	D8-F10 VanDerWaalsContact C-N 3.29Å; D8-F10 PolarHBondContact O-N 3.1Å; D8-E11 PolarHBondContact O-N 3.06Å; D8-R12 WeakPolarHBondContact O-CB 3.41Å; D8-R12 PolarHBondContact O-N 2.84Å
9	D	53.8	Low	49.5	Very low	111 Å²	111	132.1 Å²	132.1	59%	0.594	64%	0.641	S	S	*	*	H	α-helix	trans	-73.7	-21	-179.2	-137.3	27.4	0	0	0	111.8	S7 R12 F13	S7-D9 VanDerWaalsContact C-N 3.3Å; S7-D9 PolarHBondContact O-N 3.09Å; D9-R12 IonicContact OD1-NH1 2.7Å; D9-F13 WeakPolarHBondContact O-CB 3.42Å; D9-F13 PolarHBondContact O-N 2.7Å; D9-F13 VanDerWaalsContact O-N 3.12Å
10	F	50.6	Low	48.9	Very low	133 Å²	133	129.5 Å²	129.5	58%	0.583	64%	0.637	S	S	*	*	H	α-helix	trans	-74.9	-50.7	170.5	176.4	-105.5	0	0	0	111.3	S7 D8 R12 F13 C14	S7-F10 WeakPolarHBondContact O-CB 3.5Å; S7-F10 PolarHBondContact O-N 2.98Å; D8-F10 VanDerWaalsContact C-N 3.29Å; D8-F10 PolarHBondContact O-N 3.1Å; F10-R12 VanDerWaalsContact C-N 3.33Å; F10-R12 PolarHBondContact O-N 3.13Å; F10-F13 WeakPolarHBondContact O-CB 3.46Å; F10-F13 PolarHBondContact O-N 3.38Å; F10-F13 VanDerWaalsContact O-N 3.11Å; F10-C14 PolarHBondContact O-N 3.3Å
11	E	53.5	Low	48.2	Very low	116 Å²	116	129 Å²	129	54%	0.542	64%	0.643	S	S	.	*	H	α-helix	trans	-62.5	-43.2	179.2	-162.1	-167.9	148	0	0	111.1	S7 D8 F13 C14 Q15	S7-E11 PolarHBondContact O-N 2.61Å; D8-E11 PolarHBondContact O-N 3.06Å; E11-F13 VanDerWaalsContact C-N 3.31Å; E11-F13 PolarHBondContact O-N 3.35Å; E11-C14 WeakPolarHBondContact O-CB 3.42Å; E11-C14 PolarHBondContact O-N 2.98Å; E11-C14 VanDerWaalsContact O-N 3.13Å; E11-Q15 WeakPolarHBondContact O-CG 3.15Å; E11-Q15 PolarHBondContact O-N 3.28Å; E11-Q15 PolarHBondContact OE1-NE2 3.11Å; E11-Q15 VanDerWaalsContact OE1-NE2 3.16Å
12	R	55.8	Low	48.5	Very low	150 Å²	150	128.7 Å²	128.7	57%	0.566	63%	0.63	S	S	*	*	H	α-helix	trans	-62.3	-35.1	174	-173	168.2	176.1	-101.8	0.5	112.6	D8 D9 F10 I16	D8-R12 WeakPolarHBondContact O-CB 3.41Å; D8-R12 PolarHBondContact O-N 2.84Å; D9-R12 IonicContact OD1-NH1 2.7Å; F10-R12 VanDerWaalsContact C-N 3.33Å; F10-R12 PolarHBondContact O-N 3.13Å; R12-I16 HydrophobicContact CG-CD1 4.19Å; R12-I16 WeakPolarHBondContact O-CB 3.03Å; R12-I16 WeakPolarHBondContact O-CD1 3.49Å; R12-I16 VanDerWaalsContact O-CG1 3.23Å; R12-I16 WeakPolarHBondContact O-CG1 3.06Å; R12-I16 PolarHBondContact O-N 2.98Å
13	F	57.4	Low	48.4	Very low	81 Å²	81	128.1 Å²	128.1	36%	0.355	63%	0.627	S	S	.	*	H	α-helix	trans	-67.4	-41	172.2	-177.4	-99	0	0	0	111.9	D9 F10 E11 I16 A17	D9-F13 WeakPolarHBondContact O-CB 3.42Å; D9-F13 PolarHBondContact O-N 2.7Å; D9-F13 VanDerWaalsContact O-N 3.12Å; F10-F13 WeakPolarHBondContact O-CB 3.46Å; F10-F13 PolarHBondContact O-N 3.38Å; F10-F13 VanDerWaalsContact O-N 3.11Å; E11-F13 VanDerWaalsContact C-N 3.31Å; E11-F13 PolarHBondContact O-N 3.35Å; F13-I16 PolarHBondContact O-N 2.79Å; F13-A17 WeakPolarHBondContact O-CB 3.13Å; F13-A17 PolarHBondContact O-N 3.16Å
14	C	58.3	Low	48.1	Very low	42 Å²	42	127.1 Å²	127.1	28%	0.284	63%	0.631	S	S	.	*	H	α-helix	trans	-61	-46.9	173.8	-71.7	0	0	0	0	112	F10 E11 I16 A17 Q18	F10-C14 PolarHBondContact O-N 3.3Å; E11-C14 WeakPolarHBondContact O-CB 3.42Å; E11-C14 PolarHBondContact O-N 2.98Å; E11-C14 VanDerWaalsContact O-N 3.13Å; C14-I16 VanDerWaalsContact C-N 3.29Å; C14-I16 PolarHBondContact O-N 2.71Å; C14-A17 PolarHBondContact O-N 3.5Å; C14-Q18 WeakPolarHBondContact O-CB 3.45Å; C14-Q18 VanDerWaalsContact O-CG 3.3Å; C14-Q18 WeakPolarHBondContact O-CG 3.42Å; C14-Q18 PolarHBondContact O-N 3.47Å
15	Q	59.6	Low	47.6	Very low	87 Å²	87	123.6 Å²	123.6	41%	0.407	63%	0.627	S	S	.	*	H	α-helix	trans	-61.1	-34.3	175.7	-67.3	179.8	22.3	0	0	112.7	E11 R19	E11-Q15 WeakPolarHBondContact O-CG 3.15Å; E11-Q15 PolarHBondContact O-N 3.28Å; E11-Q15 PolarHBondContact OE1-NE2 3.11Å; E11-Q15 VanDerWaalsContact OE1-NE2 3.16Å; Q15-R19 WeakPolarHBondContact O-CD 3.3Å; Q15-R19 VanDerWaalsContact O-CG 3.22Å; Q15-R19 WeakPolarHBondContact O-CG 3.45Å
16	I	55.4	Low	47.1	Very low	103 Å²	103	118.4 Å²	118.4	53%	0.528	62%	0.617	S	S	.	*	H	α-helix	trans	-74.5	-42.1	175.2	-70.4	166.3	0	0	0	111.4	R12 F13 C14 Q18 R19	R12-I16 HydrophobicContact CG-CD1 4.19Å; R12-I16 WeakPolarHBondContact O-CB 3.03Å; R12-I16 WeakPolarHBondContact O-CD1 3.49Å; R12-I16 VanDerWaalsContact O-CG1 3.23Å; R12-I16 WeakPolarHBondContact O-CG1 3.06Å; R12-I16 PolarHBondContact O-N 2.98Å; F13-I16 PolarHBondContact O-N 2.79Å; C14-I16 VanDerWaalsContact C-N 3.29Å; C14-I16 PolarHBondContact O-N 2.71Å; I16-Q18 VanDerWaalsContact C-N 3.35Å; I16-Q18 PolarHBondContact O-N 2.89Å; I16-R19 PolarHBondContact O-N 2.92Å
17	A	52.2	Low	46.5	Very low	56 Å²	56	118.1 Å²	118.1	46%	0.463	62%	0.623	S	S	.	*	H	α-helix	trans	-65	-37.2	179.3	0	0	0	0	0	112.5	F13 C14 R19	F13-A17 WeakPolarHBondContact O-CB 3.13Å; F13-A17 PolarHBondContact O-N 3.16Å; C14-A17 PolarHBondContact O-N 3.5Å; A17-R19 VanDerWaalsContact C-N 3.26Å; A17-R19 PolarHBondContact O-N 3.46Å
18	Q	51.5	Low	45.8	Very low	151 Å²	151	119.5 Å²	119.5	71%	0.706	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-18.1	175.4	-69.7	172.9	7	0	0	113.4	C14 I16 S20	C14-Q18 WeakPolarHBondContact O-CB 3.45Å; C14-Q18 VanDerWaalsContact O-CG 3.3Å; C14-Q18 WeakPolarHBondContact O-CG 3.42Å; C14-Q18 PolarHBondContact O-N 3.47Å; I16-Q18 VanDerWaalsContact C-N 3.35Å; I16-Q18 PolarHBondContact O-N 2.89Å; Q18-S20 VanDerWaalsContact C-N 3.29Å; Q18-S20 PolarHBondContact O-N 3.46Å
19	R	41.4	Very low	44.9	Very low	197 Å²	197	120.4 Å²	120.4	74%	0.743	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	14.7	178.4	-75.3	174.4	-175.3	-159.5	3.7	114.4	Q15 I16 A17	Q15-R19 WeakPolarHBondContact O-CD 3.3Å; Q15-R19 VanDerWaalsContact O-CG 3.22Å; Q15-R19 WeakPolarHBondContact O-CG 3.45Å; I16-R19 PolarHBondContact O-N 2.92Å; A17-R19 VanDerWaalsContact C-N 3.26Å; A17-R19 PolarHBondContact O-N 3.46Å
20	S	36.3	Very low	43.9	Very low	80 Å²	80	122.7 Å²	122.7	56%	0.559	64%	0.639	S	S	*	*	S	Bend	trans	-64.4	129.4	168	75.8	0	0	0	0	109.9	Q18 R22	Q18-S20 VanDerWaalsContact C-N 3.29Å; Q18-S20 PolarHBondContact O-N 3.46Å; S20-R22 PolarHBondContact O-N 3.25Å
21	P	36.1	Very low	43.3	Very low	120 Å²	120	123 Å²	123	78%	0.779	65%	0.645	S	S	*	*			trans	-72.5	101.5	-170.7	28.4	-34.9	0	0	0	111.8
22	R	38.8	Very low	42.4	Very low	218 Å²	218	123.2 Å²	123.2	82%	0.823	65%	0.654	S	S	*	*			trans	-86.9	114.8	156.9	-77.7	-170.2	176.2	-171.7	-2.1	109.2	S20	S20-R22 PolarHBondContact O-N 3.25Å
23	D	34.7	Very low	41.6	Very low	136 Å²	136	123.6 Å²	123.6	73%	0.727	66%	0.663	S	S	*	*			trans	60.2	68.3	147.9	-47.8	-48.6	0	0	0	117.4	L25	D23-L25 PolarHBondContact O-N 3.45Å
24	S	31.8	Very low	40.7	Very low	117 Å²	117	124.5 Å²	124.5	82%	0.818	68%	0.676	S	S	*	*			trans	-68	44.2	164.3	-49.3	0	0	0	0	113.6
25	L	34.3	Very low	39.5	Very low	169 Å²	169	130.6 Å²	130.6	89%	0.885	71%	0.705	S	S	*	*			trans	-140.1	56.1	-176.8	-73.3	179.2	0	0	0	112.4	D23	D23-L25 PolarHBondContact O-N 3.45Å
26	A	37.6	Very low	38.5	Very low	80 Å²	80	137.2 Å²	137.2	66%	0.661	73%	0.728	S	S	*	*			trans	-117.6	126.4	162.2	0	0	0	0	0	109.3	T28	A26-T28 PolarHBondContact O-N 2.95Å; A26-T28 VanDerWaalsContact O-N 3.12Å
27	P	31.7	Very low	37.3	Very low	121 Å²	121	142.9 Å²	142.9	79%	0.786	74%	0.743	S	S	*	*			trans	-75.9	100.2	175.7	30.1	-32.2	0	0	0	109.8	I29	P27-I29 PolarHBondContact O-N 3.07Å
28	T	37.2	Very low	36.7	Very low	117 Å²	117	144 Å²	144	72%	0.718	76%	0.76	S	S	*	*			trans	-63.9	98.4	173.8	-52.1	0	0	0	0	110.3	A26 Q30	A26-T28 PolarHBondContact O-N 2.95Å; A26-T28 VanDerWaalsContact O-N 3.12Å; T28-Q30 VanDerWaalsContact C-N 3.35Å; T28-Q30 HydrophobicContact CG2-CG 3.96Å; T28-Q30 PolarHBondContact O-N 2.77Å
29	I	35.2	Very low	35.8	Very low	144 Å²	144	142.2 Å²	142.2	74%	0.738	76%	0.755	S	S	*	*			trans	-70.9	94.5	167.6	-60.4	173.2	0	0	0	107.3	P27 I31	P27-I29 PolarHBondContact O-N 3.07Å; I29-I31 HydrophobicContact CG2-CG1 4.08Å; I29-I31 PolarHBondContact O-N 3.33Å
30	Q	33	Very low	35.7	Very low	159 Å²	159	139 Å²	139	74%	0.743	75%	0.753	S	S	*	*			trans	-73.7	103.4	169.9	-67.6	-174.1	-20.5	0	0	108.7	T28 T32	T28-Q30 VanDerWaalsContact C-N 3.35Å; T28-Q30 HydrophobicContact CG2-CG 3.96Å; T28-Q30 PolarHBondContact O-N 2.77Å; Q30-T32 PolarHBondContact O-N 2.97Å
31	I	37.9	Very low	35.8	Very low	140 Å²	140	141.5 Å²	141.5	72%	0.718	76%	0.76	S	S	*	*			trans	-82	105.8	165.7	-58.7	-177.8	0	0	0	106.9	I29 E33	I29-I31 HydrophobicContact CG2-CG1 4.08Å; I29-I31 PolarHBondContact O-N 3.33Å; I31-E33 PolarHBondContact O-N 3.09Å
32	T	34.1	Very low	36	Very low	120 Å²	120	142.1 Å²	142.1	74%	0.736	76%	0.757	S	S	*	*			trans	-85.3	97.5	-175.4	-48.4	0	0	0	0	110.9	Q30	Q30-T32 PolarHBondContact O-N 2.97Å
33	E	40	Very low	36.1	Very low	158 Å²	158	137.6 Å²	137.6	74%	0.738	75%	0.749	S	S	*	*			trans	-65.5	125.8	168.6	-79.4	-65	158.6	0	0	111.1	I31 L35	I31-E33 PolarHBondContact O-N 3.09Å; E33-L35 PolarHBondContact O-N 3.12Å
34	P	37.3	Very low	36.5	Very low	99 Å²	99	137.4 Å²	137.4	64%	0.643	75%	0.748	S	S	*	*			trans	-84.3	92.6	-174.4	32.6	-34.2	0	0	0	112.5	Y36	P34-Y36 PolarHBondContact O-N 2.69Å; P34-Y36 VanDerWaalsContact O-N 3.08Å
35	L	34.4	Very low	37	Very low	170 Å²	170	138.3 Å²	138.3	89%	0.89	74%	0.743	S	S	*	*			trans	-67.3	102.2	174.5	-107.3	157.5	0	0	0	112.4	E33 R37	E33-L35 PolarHBondContact O-N 3.12Å; L35-R37 PolarHBondContact O-N 2.66Å
36	Y	36.9	Very low	37.4	Very low	226 Å²	226	135.8 Å²	135.8	89%	0.886	74%	0.74	S	S	*	*			trans	-65.5	122.7	171.5	-104	-96.1	0	0	0	111.3	P34	P34-Y36 PolarHBondContact O-N 2.69Å; P34-Y36 VanDerWaalsContact O-N 3.08Å
37	R	30	Very low	37.4	Very low	222 Å²	222	137.5 Å²	137.5	84%	0.838	75%	0.745	S	S	*	*			trans	-104.7	85.2	-176.9	-161.4	178	-159	-108.1	4.3	111.8	L35	L35-R37 PolarHBondContact O-N 2.66Å
38	G	39.6	Very low	37.7	Very low	80 Å²	80	139.6 Å²	139.6	83%	0.825	75%	0.748	S	S	*	*			trans	-76.5	133.3	167.5	0	0	0	0	0	111.1
39	N	33.4	Very low	37.5	Very low	113 Å²	113	140.2 Å²	140.2	60%	0.604	75%	0.746	S	S	*	*			trans	-112.5	137.5	-172.9	-162.8	66.7	0	0	0	111.5
40	N	39.8	Very low	37.6	Very low	130 Å²	130	141.5 Å²	141.5	70%	0.695	75%	0.749	S	S	*	*			trans	148.1	115.8	142.2	-74.3	-15.6	0	0	0	112.7
41	N	37.8	Very low	37.6	Very low	132 Å²	132	138.2 Å²	138.2	71%	0.706	74%	0.744	S	S	*	*				24.3	127.5	119.3	-59.3	11.9	0	0	0	116.4
42	N	40.3	Very low	37.6	Very low	134 Å²	134	138 Å²	138	72%	0.717	74%	0.744	S	S	*	*			cis	-172	168.2	39.4	-112.9	-5.6	0	0	0	113.3
43	N	42	Very low	37.6	Very low	123 Å²	123	142 Å²	142	66%	0.658	75%	0.747	S	S	*	*			trans	70.4	108.5	150.4	-64.1	-0.8	0	0	0	122.1
44	N	42	Very low	37.2	Very low	131 Å²	131	142.1 Å²	142.1	70%	0.701	75%	0.752	S	S	*	*				82.4	121.9	121.1	-58.6	-4.9	0	0	0	122.8
45	N	41.6	Very low	37.2	Very low	136 Å²	136	143.3 Å²	143.3	73%	0.727	76%	0.763	S	S	*	*			trans	78.5	94.8	133.7	-62.8	5.3	0	0	0	122
46	S	44.6	Very low	37.1	Very low	116 Å²	116	141.2 Å²	141.2	81%	0.811	76%	0.757	S	S	*	*				76.5	151.9	127.7	61.7	0	0	0	0	121
47	P	37.4	Very low	37	Very low	117 Å²	117	138.1 Å²	138.1	76%	0.76	76%	0.755	S	S	*	*			trans	-117.3	149.1	-165.3	40.4	-27.9	0	0	0	116.2
48	I	37.7	Very low	37.2	Very low	165 Å²	165	132.8 Å²	132.8	85%	0.846	75%	0.752	S	S	*	*			trans	-152.2	123.9	159.1	-85.3	118.1	0	0	0	104
49	N	33.1	Very low	37	Very low	129 Å²	129	134.9 Å²	134.9	69%	0.69	75%	0.749	S	S	*	*			cis	93.5	130.3	42.6	-168.1	26.8	0	0	0	112
50	Q	36.7	Very low	37.1	Very low	171 Å²	171	137.3 Å²	137.3	80%	0.799	76%	0.756	S	S	*	*			trans	64.1	154.2	-175.7	-59.6	167.8	-3.9	0	0	115.2
51	S	32.3	Very low	37.1	Very low	91 Å²	91	135.1 Å²	135.1	64%	0.636	75%	0.751	S	S	*	*			cis	-162.9	-163.7	-27.9	55.2	0	0	0	0	107.9
52	D	38.1	Very low	36.9	Very low	135 Å²	135	135.2 Å²	135.2	72%	0.722	75%	0.751	S	S	*	*			trans	76.3	154.8	164.4	-52.1	-0.7	0	0	0	117.6
53	Y	33.6	Very low	36.9	Very low	204 Å²	204	136.9 Å²	136.9	80%	0.8	75%	0.752	S	S	*	*			cis	-177	126.1	-43.7	-122	-71.9	0	0	0	103.8
54	L	32.4	Very low	36.4	Very low	160 Å²	160	141.9 Å²	141.9	84%	0.838	76%	0.761	S	S	*	*			trans	22.4	117.3	158.5	-60.4	172.1	0	0	0	120.4
55	S	36.6	Very low	36.3	Very low	125 Å²	125	140.6 Å²	140.6	87%	0.874	77%	0.769	S	S	*	*			trans	-152.9	162.1	135.1	48.7	0	0	0	0	111.8
56	T	32.5	Very low	36.1	Very low	126 Å²	126	139.5 Å²	139.5	77%	0.773	77%	0.772	S	S	*	*			trans	-116.7	-162.8	-172.7	55.7	0	0	0	0	110.9
57	L	35.7	Very low	36.1	Very low	160 Å²	160	139 Å²	139	84%	0.838	77%	0.769	S	S	*	*			trans	83.3	145	175.1	-50.2	177.8	0	0	0	114.9
58	S	34.3	Very low	36.1	Very low	110 Å²	110	142.9 Å²	142.9	77%	0.769	77%	0.774	S	S	*	*			cis	-155.5	167.8	-9.3	44.1	0	0	0	0	112.4
59	V	35.5	Very low	36.2	Very low	125 Å²	125	145.9 Å²	145.9	76%	0.758	78%	0.775	S	S	*	*			trans	-65.9	158	170.8	-147.5	0	0	0	0	111.6
60	E	34.7	Very low	36.5	Very low	164 Å²	164	146.3 Å²	146.3	77%	0.766	77%	0.772	S	S	*	*				170.5	161.8	114.5	-151.5	50.8	-118.3	0	0	113.5
61	S	39.8	Very low	36.9	Very low	84 Å²	84	144.4 Å²	144.4	59%	0.587	78%	0.775	S	S	*	*			trans	87.7	98.6	150.9	-63.9	0	0	0	0	123.9
62	L	34.2	Very low	37.1	Very low	133 Å²	133	147.5 Å²	147.5	70%	0.696	78%	0.777	S	S	*	*				57.8	121.5	113.3	-68	154.5	0	0	0	119.7
63	K	39.3	Very low	37	Very low	169 Å²	169	151.1 Å²	151.1	74%	0.735	78%	0.781	S	S	*	*				-173.2	152.6	51.7	-104.7	141.5	-176.6	173.4	0	114.2
64	R	32.8	Very low	37.1	Very low	228 Å²	228	150.7 Å²	150.7	86%	0.86	78%	0.777	S	S	*	*			trans	3.4	147.7	143.1	-56.6	172.5	-171.1	156.9	3.5	118.2
65	A	40	Very low	37.4	Very low	105 Å²	105	148.9 Å²	148.9	87%	0.868	77%	0.773	S	S	*	*			cis	-158	-176.5	46.2	0	0	0	0	0	115.8
66	S	37.2	Very low	37.2	Very low	113 Å²	113	146.9 Å²	146.9	79%	0.79	76%	0.759	S	S	*	*			trans	-134	158.4	-171.8	58.8	0	0	0	0	113
67	S	43.7	Very low	37.3	Very low	106 Å²	106	150.1 Å²	150.1	74%	0.741	76%	0.763	S	S	*	*				177.9	147.4	126.3	51.4	0	0	0	0	114.5
68	F	37.1	Very low	37.3	Very low	197 Å²	197	150.9 Å²	150.9	86%	0.864	76%	0.762	S	S	*	*			trans	30.8	146.2	141	-77.3	-105.9	0	0	0	120.8
69	R	39.7	Very low	37.6	Very low	229 Å²	229	150.7 Å²	150.7	86%	0.864	76%	0.758	S	S	*	*				-172.3	140.5	50.5	-160.1	172.4	-174	164.6	1.5	113.5
70	E	40.2	Very low	37.7	Very low	137 Å²	137	150.2 Å²	150.2	64%	0.64	76%	0.76	S	S	*	*			trans	-87.7	162.5	162.2	-72.3	-171.2	144.2	0	0	112.5	K72	E70-K72 WeakPolarHBondContact OE2-CE 3.13Å; E70-K72 IonicContact OE2-NZ 3.43Å; E70-K72 PolarHBondContact OE2-NZ 2.87Å
71	P	46	Very low	37.7	Very low	131 Å²	131	147.2 Å²	147.2	85%	0.851	76%	0.758	S	S	*	*			trans	-133.8	171.3	136.9	31.3	-14.9	0	0	0	114.9
72	K	34.9	Very low	37.4	Very low	156 Å²	156	152.7 Å²	152.7	68%	0.678	77%	0.771	S	S	*	*			trans	-139.5	159.6	-164.6	-77.1	172	161.2	114.7	0	113.2	E70	E70-K72 WeakPolarHBondContact OE2-CE 3.13Å; E70-K72 IonicContact OE2-NZ 3.43Å; E70-K72 PolarHBondContact OE2-NZ 2.87Å
73	R	36.2	Very low	37.6	Very low	212 Å²	212	150.7 Å²	150.7	80%	0.8	77%	0.768	S	S	*	*			trans	72.8	160.3	157.6	-72.4	170.8	175.8	-176.2	-1	116.3
74	R	36.5	Very low	37.5	Very low	195 Å²	195	146.1 Å²	146.1	74%	0.736	77%	0.769	S	S	*	*			cis	-161.9	170.2	4.7	-133.2	174.7	179.4	-178.5	-3.6	113.1
75	T	38.8	Very low	37.8	Very low	121 Å²	121	143.6 Å²	143.6	74%	0.742	77%	0.767	S	S	*	*			trans	65	147.9	149.9	43	0	0	0	0	121
76	S	32.8	Very low	37.8	Very low	84 Å²	84	144.6 Å²	144.6	59%	0.587	76%	0.757	S	S	*	*			cis	-179.3	162.4	-19.8	46.3	0	0	0	0	112.9
77	F	33.5	Very low	38	Very low	194 Å²	194	144.8 Å²	144.8	85%	0.851	76%	0.758	S	S	*	*			trans	71	158.8	170.3	-62.2	-82.1	0	0	0	118.1
78	Q	36.5	Very low	37.6	Very low	175 Å²	175	143.3 Å²	143.3	82%	0.818	75%	0.752	S	S	*	*				-168.2	164.4	-52.9	-101	-92.9	-40.4	0	0	109
79	P	40.4	Very low	37.7	Very low	107 Å²	107	140.1 Å²	140.1	70%	0.695	75%	0.749	S	S	*	*			trans	-125.4	171.7	-156.6	43.7	-32.1	0	0	0	117.7
80	S	37.6	Very low	37.5	Very low	114 Å²	114	140 Å²	140	80%	0.797	75%	0.749	S	S	*	*			trans	-174.9	159.3	160.5	52.3	0	0	0	0	110.3
81	S	34	Very low	37.2	Very low	101 Å²	101	138.7 Å²	138.7	71%	0.706	75%	0.754	S	S	*	*			cis	-178.6	167.8	-30.6	54.9	0	0	0	0	109.3
82	F	33.9	Very low	37.1	Very low	199 Å²	199	137.9 Å²	137.9	87%	0.873	75%	0.749	S	S	*	*			trans	68.8	155.1	166.7	-97	-131.8	0	0	0	118.1
83	S	38.4	Very low	37.2	Very low	91 Å²	91	138.5 Å²	138.5	64%	0.636	76%	0.758	S	S	*	*			cis	-176.8	147.3	-31.6	56.1	0	0	0	0	111.6
84	G	36.4	Very low	37	Very low	73 Å²	73	139.6 Å²	139.6	75%	0.753	76%	0.762	S	S	*	*			trans	80.8	165.1	152.8	0	0	0	0	0	118.9
85	E	40.5	Very low	37	Very low	175 Å²	175	136.3 Å²	136.3	82%	0.818	77%	0.768	S	S	*	*			cis	-159.6	147	-10	-111.3	-172.1	175.5	0	0	113.1
86	I	38.7	Very low	36.8	Very low	127 Å²	127	135.9 Å²	135.9	65%	0.651	77%	0.77	S	S	*	*			trans	59.3	105	139.9	-62.7	169.6	0	0	0	121.5
87	S	41.7	Very low	37.3	Very low	116 Å²	116	137.1 Å²	137.1	81%	0.811	78%	0.776	S	S	*	*				59.8	174.1	124.9	-42.2	0	0	0	0	120.8
88	A	36.9	Very low	37.4	Very low	75 Å²	75	136 Å²	136	62%	0.62	77%	0.773	S	S	*	*			cis	-156.2	152.1	0.8	0	0	0	0	0	113
89	T	37.4	Very low	37.4	Very low	130 Å²	130	138.1 Å²	138.1	80%	0.798	77%	0.774	S	S	*	*			trans	63	168.1	158.4	71.4	0	0	0	0	117.3
90	R	37	Very low	37.3	Very low	228 Å²	228	141 Å²	141	86%	0.86	78%	0.784	S	S	*	*			cis	-153.1	162.7	0.8	-138.4	159.8	-169.8	-105.9	8.7	109.3
91	S	34.1	Very low	37.3	Very low	108 Å²	108	142.6 Å²	142.6	76%	0.755	78%	0.783	S	S	*	*			trans	-125.9	-178.4	170.8	-35.2	0	0	0	0	109.5
92	P	42	Very low	37.8	Very low	114 Å²	114	142.6 Å²	142.6	74%	0.74	78%	0.78	S	S	*	*			cis	-124.4	-164.2	-26.4	40.7	-25.6	0	0	0	110.6
93	I	38.8	Very low	37.8	Very low	170 Å²	170	140.9 Å²	140.9	87%	0.872	78%	0.781	S	S	*	*			trans	-177.5	154.3	139.2	-99.2	157.7	0	0	0	111.4
94	R	31.4	Very low	37.8	Very low	234 Å²	234	144.8 Å²	144.8	88%	0.883	79%	0.789	S	S	*	*			trans	-96.7	155.3	174.2	-65.5	-179.1	175.9	-167.4	0.3	111.5
95	C	36	Very low	37.7	Very low	127 Å²	127	148.4 Å²	148.4	86%	0.858	79%	0.79	S	S	*	*			trans	-156.3	151.6	145.5	-117	0	0	0	0	113.6
96	S	34.6	Very low	37.5	Very low	112 Å²	112	146.3 Å²	146.3	78%	0.783	79%	0.79	S	S	*	*			trans	-169.1	179.2	177.4	-57.5	0	0	0	0	106
97	P	42.6	Very low	37.2	Very low	110 Å²	110	148.2 Å²	148.2	71%	0.714	80%	0.796	S	S	*	*			cis	-137.3	-128.4	2.8	43	-21.3	0	0	0	112
98	Q	37.5	Very low	36.9	Very low	170 Å²	170	152.2 Å²	152.2	79%	0.794	80%	0.799	S	S	*	*			trans	76.8	114.1	166.7	-130.9	159.6	-2.4	0	0	115.7
99	W	34.9	Very low	36.4	Very low	220 Å²	220	155.5 Å²	155.5	83%	0.833	81%	0.806	S	S	*	*			cis	106.7	126.9	27	-84.5	49.9	0	0	0	111.4
100	D	38	Very low	36.3	Very low	168 Å²	168	160.1 Å²	160.1	90%	0.898	81%	0.81	S	S	*	*			trans	-165.1	169.9	139	-113.7	-32.9	0	0	0	112.4
101	N	38	Very low	36	Very low	146 Å²	146	154.5 Å²	154.5	78%	0.781	81%	0.806	S	S	*	*			trans	-117.6	168.4	-155.3	-121.3	-4.2	0	0	0	115.9
102	P	45.2	Very low	36.1	Very low	101 Å²	101	155.2 Å²	155.2	66%	0.656	81%	0.811	S	S	*	*			trans	-110.3	166.6	-173	41.3	-35.1	0	0	0	115.8
103	N	34	Very low	35.6	Very low	164 Å²	164	157.1 Å²	157.1	88%	0.877	82%	0.815	S	S	*	*			trans	-178.7	147.7	140	-99.7	-36.2	0	0	0	114.2
104	E	37.7	Very low	35.4	Very low	172 Å²	172	154 Å²	154	80%	0.804	81%	0.808	S	S	*	*			trans	157.9	124.1	146.7	-88.3	-169.3	169.5	0	0	108.5
105	L	35	Very low	35.7	Very low	149 Å²	149	154.6 Å²	154.6	78%	0.78	81%	0.81	S	S	*	*				59.2	127.1	80.7	-69.1	167.5	0	0	0	112.1
106	T	36.3	Very low	35.7	Very low	132 Å²	132	157 Å²	157	81%	0.81	81%	0.809	S	S	*	*			cis	-146.3	-179.6	39.1	46.9	0	0	0	0	114.9
107	Q	31.4	Very low	35.9	Very low	167 Å²	167	161.3 Å²	161.3	78%	0.78	81%	0.813	S	S	*	*			trans	-86.3	163.5	176.9	-54.6	166.2	0.3	0	0	112.1
108	F	35.3	Very low	35.5	Very low	200 Å²	200	164.2 Å²	164.2	88%	0.877	82%	0.818	S	S	*	*				-163.2	132.7	129.1	-101.4	-64.9	0	0	0	112.4
109	N	27.8	Very low	35.5	Very low	144 Å²	144	165.7 Å²	165.7	77%	0.77	82%	0.824	S	S	*	*			trans	-99.4	156.5	163.9	-80.1	-57.6	0	0	0	109.4
110	Y	35.4	Very low	35.3	Very low	227 Å²	227	166.5 Å²	166.5	89%	0.89	83%	0.827	S	S	*	*			trans	-164.7	154.6	132.8	-101.4	-64	0	0	0	111.8
111	S	31	Very low	35.4	Very low	110 Å²	110	163.5 Å²	163.5	77%	0.769	82%	0.817	S	S	*	*			trans	-112.5	156.5	-178	-56	0	0	0	0	111.7
112	S	35.2	Very low	35.3	Very low	123 Å²	123	168 Å²	168	86%	0.86	82%	0.823	S	S	*	*			trans	-166.1	101.8	153	-88.7	0	0	0	0	116
113	N	32	Very low	34.6	Very low	154 Å²	154	173 Å²	173	82%	0.824	83%	0.83	S	S	*	*			trans	24.5	129.8	136.2	-73.9	-24.2	0	0	0	124.3
114	S	34.7	Very low	34.8	Very low	103 Å²	103	175.9 Å²	175.9	72%	0.72	83%	0.83	S	S	*	*				84.2	130.2	126.1	77.7	0	0	0	0	122.3
115	R	37.6	Very low	34.6	Very low	248 Å²	248	173 Å²	173	94%	0.936	82%	0.821	S	S	*	*				-167.3	162.6	99.7	-101.7	174.4	174.5	-175.7	-2.1	112.9
116	Q	35.1	Very low	34.6	Very low	177 Å²	177	173.4 Å²	173.4	83%	0.827	82%	0.819	S	S	*	*			trans	-105.1	155	-175.5	-61.7	168.5	-30.3	0	0	112.7
117	K	38.6	Very low	34.9	Very low	202 Å²	202	171.6 Å²	171.6	88%	0.878	81%	0.809	S	S	*	*			trans	-176.9	105.8	141.5	-101.3	164.8	-177.4	-175.4	0	107.3
118	Q	34.9	Very low	35.2	Very low	172 Å²	172	170.4 Å²	170.4	80%	0.804	81%	0.808	S	S	*	*				54.4	107.8	77.2	-74.7	-163	-4.2	0	0	115.8
119	Q	37.7	Very low	35.3	Very low	200 Å²	200	167 Å²	167	94%	0.935	80%	0.799	S	S	*	*				-161.5	160.4	124.5	-107.9	164.8	80	0	0	111.6
120	R	29.9	Very low	36	Very low	237 Å²	237	165.7 Å²	165.7	89%	0.894	80%	0.796	S	S	*	*			trans	-153	-176.7	-178.4	-86.7	-172.5	164.9	-163.4	-1.5	106.4
121	P	41.5	Very low	36.1	Very low	106 Å²	106	161.7 Å²	161.7	69%	0.688	79%	0.79	S	S	*	*				-125.8	-180	-63.4	39.6	-25	0	0	0	110.7
122	R	35.8	Very low	36.6	Very low	240 Å²	240	161.5 Å²	161.5	91%	0.906	78%	0.784	S	S	*	*			trans	-147.2	145.8	152.7	-78.7	-155.7	173.2	-173.4	-2.5	112.9
123	Y	30.1	Very low	36.9	Very low	205 Å²	205	161.9 Å²	161.9	80%	0.804	78%	0.776	S	S	*	*			trans	-91.2	161	163.9	-86.2	-108.2	0	0	0	109.9
124	Y	37.7	Very low	37	Very low	225 Å²	225	165 Å²	165	88%	0.882	78%	0.776	S	S	*	*			trans	-165	160.3	132.1	-110.8	-73.5	0	0	0	110.4
125	N	34.4	Very low	37	Very low	112 Å²	112	164 Å²	164	60%	0.599	77%	0.774	S	S	*	*			trans	-115.3	-178.2	-178.7	-48.1	12.2	0	0	0	108
126	E	34.3	Very low	37.1	Very low	158 Å²	158	158.8 Å²	158.8	74%	0.738	77%	0.77	S	S	*	*			cis	-166.2	-156.5	6.7	-136.5	154.7	-98.9	0	0	105
127	P	43.3	Very low	36.9	Very low	93 Å²	93	157.2 Å²	157.2	60%	0.604	77%	0.767	S	S	*	*			cis	-127.1	-178.9	-33.1	39.7	-24.3	0	0	0	113.1
128	N	36.1	Very low	36.9	Very low	143 Å²	143	154.5 Å²	154.5	77%	0.765	77%	0.767	S	S	*	*			trans	51.3	152.8	149.2	-64	4.1	0	0	0	120.9
129	D	38.6	Very low	36.7	Very low	128 Å²	128	154.8 Å²	154.8	68%	0.684	77%	0.768	S	S	*	*			cis	-161.4	140.6	35.7	-127.6	-21.9	0	0	0	113.4
130	T	41.4	Very low	36.6	Very low	117 Å²	117	155.4 Å²	155.4	72%	0.718	76%	0.762	S	S	*	*			trans	57.9	155.9	157.1	72.8	0	0	0	0	118.7
131	N	39.3	Very low	36.7	Very low	143 Å²	143	154 Å²	154	77%	0.765	76%	0.758	S	S	*	*			cis	-162	172.6	-0.7	-129.4	-26.8	0	0	0	107.4
132	V	40.9	Very low	36.1	Very low	105 Å²	105	159.9 Å²	159.9	64%	0.636	77%	0.767	S	S	*	*			cis	-157.6	154.8	3	73.2	0	0	0	0	109.8
133	L	40.2	Very low	36	Very low	131 Å²	131	157.4 Å²	157.4	69%	0.686	77%	0.766	S	S	*	*			trans	30.7	141.6	150.7	-66.1	175.2	0	0	0	122.7
134	R	36	Very low	35.9	Very low	221 Å²	221	153.9 Å²	153.9	83%	0.834	76%	0.761	S	S	*	*			cis	-162.1	150.9	-7.2	-156.5	-176.1	-124.9	155.2	4.3	110
135	A	34	Very low	35.8	Very low	81 Å²	81	151.8 Å²	151.8	67%	0.669	76%	0.759	S	S	*	*			trans	-103.7	169.7	166.9	0	0	0	0	0	111.8
136	T	39.1	Very low	35.6	Very low	138 Å²	138	153.4 Å²	153.4	85%	0.847	77%	0.768	S	S	*	*			trans	-166.7	132.4	137.9	6.1	0	0	0	0	111.5
137	D	31.1	Very low	35.7	Very low	145 Å²	145	153.5 Å²	153.5	78%	0.775	77%	0.771	S	S	*	*			trans	-73.9	161.6	168.1	-39.5	-105.7	0	0	0	111.4
138	V	38	Very low	35.1	Very low	144 Å²	144	153.8 Å²	153.8	87%	0.873	78%	0.776	S	S	*	*				-151.4	130.6	120.5	168.8	0	0	0	0	109.1
139	Q	31.7	Very low	35.1	Very low	178 Å²	178	158.5 Å²	158.5	83%	0.832	78%	0.783	S	S	*	*			trans	-108.3	122.2	173.1	172.4	-168.1	41.2	0	0	108.9
140	R	34.4	Very low	34.9	Very low	214 Å²	214	160.8 Å²	160.8	81%	0.808	79%	0.789	S	S	*	*			trans	-179.7	159.7	157.5	-108.4	161.1	-151.1	-155.8	5.4	117.1
141	Y	32.1	Very low	34.8	Very low	207 Å²	207	160 Å²	160	81%	0.812	79%	0.788	S	S	*	*			trans	73.5	114.6	156.8	-77.5	-61.4	0	0	0	122.1
142	W	28.6	Very low	34.8	Very low	230 Å²	230	159.7 Å²	159.7	87%	0.871	79%	0.792	S	S	*	*			trans	-70.7	143	147.6	-68.8	61	0	0	0	110.5
143	Q	34.1	Very low	34.8	Very low	188 Å²	188	160 Å²	160	88%	0.879	80%	0.799	S	S	*	*				-163.3	155	128	-119.6	175.5	-5.1	0	0	112.1
144	N	28.8	Very low	35.1	Very low	131 Å²	131	159 Å²	159	70%	0.701	80%	0.8	S	S	*	*			trans	-76.5	148.1	178.2	-54.9	-19.7	0	0	0	111.1
145	Q	35.1	Very low	35.3	Very low	180 Å²	180	159.4 Å²	159.4	84%	0.841	80%	0.804	S	S	*	*			trans	-158.2	129.3	136.3	-121.6	146.9	110.8	0	0	111.5
146	D	30.1	Very low	35.6	Very low	147 Å²	147	160.4 Å²	160.4	79%	0.786	81%	0.806	S	S	*	*			trans	-62.6	150.2	158.5	-47.2	-97.3	0	0	0	109.8
147	I	36.5	Very low	35.5	Very low	159 Å²	159	159.2 Å²	159.2	82%	0.815	80%	0.802	S	S	*	*			trans	-166.9	130.6	133.5	-100.3	150.8	0	0	0	109.4
148	S	31	Very low	35.9	Very low	99 Å²	99	157.2 Å²	157.2	69%	0.692	80%	0.799	S	S	*	*			trans	-71.6	155.3	178.6	48.7	0	0	0	0	113.7
149	R	36.6	Very low	36.3	Very low	242 Å²	242	156.7 Å²	156.7	91%	0.913	80%	0.798	S	S	*	*			trans	-153.7	140.6	141.9	-110.8	160.3	-166	-174.2	3.2	111.6
150	E	34.8	Very low	36.9	Very low	176 Å²	176	153.1 Å²	153.1	82%	0.822	80%	0.8	S	S	*	*			trans	-94.5	167.3	-172.7	-53.6	132.7	103.7	0	0	112.4
151	S	37.7	Very low	37	Very low	100 Å²	100	150 Å²	150	70%	0.699	80%	0.796	S	S	*	*				178	127.7	115.7	37.8	0	0	0	0	114.4
152	T	39.3	Very low	37.6	Very low	137 Å²	137	151.3 Å²	151.3	84%	0.84	80%	0.801	S	S	*	*			trans	56.4	143	144.2	54.1	0	0	0	0	121.4
153	S	40.6	Very low	38	Very low	111 Å²	111	150.7 Å²	150.7	78%	0.776	80%	0.799	S	S	*	*			cis	-159.6	168.3	-1.2	50.5	0	0	0	0	111.9
154	P	46.9	Very low	38.3	Very low	111 Å²	111	150.5 Å²	150.5	72%	0.721	80%	0.802	S	S	*	*			trans	-131.4	176.4	-162.4	43.6	-29	0	0	0	117.4
155	Y	41.7	Very low	38.9	Very low	230 Å²	230	146.8 Å²	146.8	90%	0.902	80%	0.795	S	S	*	*			trans	-137.1	123.3	154.1	-70.4	-81.9	0	0	0	107.4
156	S	40.4	Very low	39.5	Very low	102 Å²	102	145.1 Å²	145.1	71%	0.713	80%	0.798	S	S	*	*				73	120.5	69.1	-170.3	0	0	0	0	111.6
157	C	37.2	Very low	40	Very low	113 Å²	113	144 Å²	144	76%	0.764	80%	0.796	S	S	*	*			cis	-157.8	176.8	14.4	-110.5	0	0	0	0	108.8
158	S	38.9	Very low	40.3	Very low	103 Å²	103	147 Å²	147	72%	0.72	80%	0.797	S	S	*	*			cis	-171.8	158.3	-31.6	-93.5	0	0	0	0	110.1
159	P	45.3	Very low	40.9	Very low	132 Å²	132	147.8 Å²	147.8	86%	0.857	79%	0.794	S	S	*	*			trans	-112.3	174.7	-168.2	41.8	-35	0	0	0	116.3
160	A	44.6	Very low	41.4	Very low	104 Å²	104	146.2 Å²	146.2	86%	0.86	79%	0.788	S	S	*	*			trans	-136.9	147.2	166.3	0	0	0	0	0	111.8
161	M	36.6	Very low	41.8	Very low	148 Å²	148	144.3 Å²	144.3	73%	0.729	79%	0.791	S	S	*	*			trans	-155.2	134.3	-167.5	-132.4	-81.1	-75.4	0	0	111.5
162	Y	44.8	Very low	42.2	Very low	234 Å²	234	143.4 Å²	143.4	92%	0.918	80%	0.797	S	S	*	*			trans	-148.8	139.3	161.9	-89.3	-70.5	0	0	0	111.9
163	R	36.5	Very low	42.3	Very low	218 Å²	218	142.7 Å²	142.7	82%	0.823	80%	0.798	S	S	*	*			trans	-131.1	148.7	168.8	-81.1	-169	178.9	-162.7	3	109
164	L	42.1	Very low	42.8	Very low	183 Å²	183	146.6 Å²	146.6	96%	0.958	81%	0.806	S	S	*	*			trans	152.5	142.8	153.5	-85.8	156.3	0	0	0	107.6
165	G	39.4	Very low	42.6	Very low	53 Å²	53	149 Å²	149	55%	0.546	81%	0.805	S	S	.	*			cis	162.6	135.6	-9.8	0	0	0	0	0	111.9
166	T	48.4	Very low	42.6	Very low	146 Å²	146	145 Å²	145	90%	0.896	80%	0.795	S	S	*	*			trans	69.8	157.6	179	79.9	0	0	0	0	115
167	T	40.7	Very low	42.8	Very low	123 Å²	123	146.4 Å²	146.4	76%	0.755	80%	0.8	S	S	*	*			cis	-136.6	164.7	11.8	39.2	0	0	0	0	114.7
168	R	42.4	Very low	42.8	Very low	221 Å²	221	146.3 Å²	146.3	83%	0.834	80%	0.8	S	S	*	*			trans	-14.3	161.7	150.4	-71.5	172.8	175.6	134.7	-1.1	119.5
169	D	45	Very low	43.2	Very low	117 Å²	117	152.2 Å²	152.2	63%	0.626	81%	0.808	S	S	*	*			cis	-150.1	-161.8	22.4	-138.2	-64.3	0	0	0	115
170	R	45.9	Very low	43	Very low	208 Å²	208	155.3 Å²	155.3	79%	0.785	81%	0.808	S	S	*	*			trans	-66.5	160.2	-165	-74.2	168.3	-180	85.5	-11.5	119.9
171	P	43.6	Very low	42.9	Very low	136 Å²	136	161.5 Å²	161.5	88%	0.883	81%	0.809	S	S	*	*			trans	-89.1	168.6	167	38.4	-36.4	0	0	0	114.3
172	G	46	Very low	43.2	Very low	81 Å²	81	160.3 Å²	160.3	84%	0.835	81%	0.81	S	S	*	*			trans	-149.3	162.5	173.1	0	0	0	0	0	112.8
173	S	42.5	Very low	43	Very low	123 Å²	123	160.2 Å²	160.2	86%	0.86	81%	0.808	S	S	*	*			trans	-132.7	139.6	-173.1	175.2	0	0	0	0	111.7
174	M	49.2	Very low	43.2	Very low	193 Å²	193	153.6 Å²	153.6	95%	0.951	80%	0.795	S	S	*	*			trans	-158.2	167.9	167.9	-121.2	167.2	65.6	0	0	113.5
175	K	43.5	Very low	43.4	Very low	161 Å²	161	152.7 Å²	152.7	70%	0.7	79%	0.786	S	S	*	*			trans	-110	157.2	-161	-91.2	173.2	140.2	-117	0	114.6
176	E	42.6	Very low	43.6	Very low	145 Å²	145	157 Å²	157	68%	0.678	79%	0.792	S	S	*	*			trans	40.3	128.8	140.4	-62.4	162.2	136.7	0	0	121
177	T	44	Very low	43.4	Very low	133 Å²	133	156.5 Å²	156.5	82%	0.816	78%	0.778	S	S	*	*				-172.1	158.2	118.8	18.2	0	0	0	0	111.8
178	S	37.7	Very low	43.6	Very low	110 Å²	110	158.4 Å²	158.4	77%	0.769	78%	0.778	S	S	*	*			trans	-133.7	135.3	-173.5	-52.8	0	0	0	0	112.1
179	Y	46	Very low	43.8	Very low	227 Å²	227	156.6 Å²	156.6	89%	0.89	78%	0.776	S	S	*	*			trans	-142.6	157.2	169	-80.5	-70.4	0	0	0	113.8
180	K	41.3	Very low	43.8	Very low	198 Å²	198	156.5 Å²	156.5	86%	0.861	78%	0.784	S	S	*	*			trans	-124.5	155.2	-169.6	-60.9	174.8	177.3	175.9	0	112.8
181	R	41.8	Very low	43.4	Very low	234 Å²	234	158.1 Å²	158.1	88%	0.883	79%	0.79	S	S	*	*			trans	-171.3	125.3	148.7	-97.3	153.9	-173.6	-149.3	1.5	107.1
182	T	42.9	Very low	43.5	Very low	123 Å²	123	156.5 Å²	156.5	76%	0.755	78%	0.78	S	S	*	*				54.8	138.4	73.4	71.3	0	0	0	0	113.6
183	R	40.9	Very low	43.3	Very low	232 Å²	232	158.6 Å²	158.6	88%	0.875	78%	0.781	S	S	*	*			cis	-169.2	173	27.8	-133.3	-168.3	178.1	-173.2	0.9	107.3
184	S	42.3	Very low	43.1	Very low	78 Å²	78	157 Å²	157	55%	0.545	78%	0.776	S	S	.	*			cis	-171.4	148.6	-5.2	11.4	0	0	0	0	111.8
185	Q	46.1	Very low	43.4	Very low	165 Å²	165	153.9 Å²	153.9	77%	0.771	77%	0.77	S	S	*	*			trans	67.3	163.8	158.9	-58.3	-178.6	25.7	0	0	117.2
186	E	42.6	Very low	43.2	Very low	144 Å²	144	152.1 Å²	152.1	67%	0.673	77%	0.773	S	S	*	*			cis	-133.6	135.1	10.3	-85.6	-163.2	117.7	0	0	111.4
187	K	43.9	Very low	43.2	Very low	135 Å²	135	151.9 Å²	151.9	59%	0.587	78%	0.775	S	S	*	*				87.4	121.1	85.5	-70.4	-174.6	-168.9	154.5	0	118.1
188	H	46.4	Very low	43.2	Very low	163 Å²	163	153.5 Å²	153.5	76%	0.755	77%	0.774	S	S	*	*			trans	68	151.9	152.5	-57	-41.5	0	0	0	118
189	K	46.7	Very low	43.6	Very low	183 Å²	183	153.5 Å²	153.5	80%	0.796	77%	0.771	S	S	*	*			cis	-157.8	167.6	5.1	-127	164	-170.8	178.5	0	110.9
190	S	43.3	Very low	43.4	Very low	115 Å²	115	148.7 Å²	148.7	80%	0.804	77%	0.765	S	S	*	*			trans	60	118.7	157.1	43.5	0	0	0	0	123.2
191	R	39.1	Very low	43.2	Very low	242 Å²	242	146.2 Å²	146.2	91%	0.913	76%	0.761	S	S	*	*			trans	-81.8	-177.5	146.2	-118.9	-176	178.6	-176.1	-0.5	108.8
192	P	45	Very low	43	Very low	102 Å²	102	143.8 Å²	143.8	66%	0.662	76%	0.76	S	S	*	*			cis	-141	-169.4	6.2	42.9	-23.3	0	0	0	116.8
193	S	41.5	Very low	43	Very low	124 Å²	124	142.4 Å²	142.4	87%	0.867	75%	0.753	S	S	*	*			trans	80	158.3	149	-62.1	0	0	0	0	120.7
194	A	39.4	Very low	42.9	Very low	90 Å²	90	141 Å²	141	74%	0.744	75%	0.754	S	S	*	*			trans	-112.4	161.7	-168.2	0	0	0	0	0	113.2
195	P	54.2	Low	42.6	Very low	127 Å²	127	142.7 Å²	142.7	83%	0.825	77%	0.765	S	S	*	*			trans	-91.4	150.3	177.4	36.1	-34.3	0	0	0	114
196	T	38.9	Very low	42.2	Very low	124 Å²	124	143.2 Å²	143.2	76%	0.761	77%	0.768	S	S	*	*			trans	-146.8	171.6	169.6	-55	0	0	0	0	107.4
197	L	43.8	Very low	41.8	Very low	140 Å²	140	147.8 Å²	147.8	73%	0.733	78%	0.781	S	S	*	*			trans	78.9	146.4	177.2	-42.6	177.7	0	0	0	114
198	H	42.6	Very low	41.4	Very low	168 Å²	168	146 Å²	146	78%	0.778	79%	0.785	S	S	*	*			cis	-153.6	165.8	-10.4	-115.9	-47.6	0	0	0	109.4
199	P	47	Very low	40.9	Very low	110 Å²	110	144.6 Å²	144.6	71%	0.714	79%	0.791	S	S	*	*			trans	-110	172.6	-172.2	41.6	-34.5	0	0	0	115.4
200	T	41.5	Very low	40.3	Very low	125 Å²	125	140.4 Å²	140.4	77%	0.767	78%	0.784	S	S	*	*			trans	-145.4	126.4	168.2	53.4	0	0	0	0	115
201	N	38.4	Very low	39.9	Very low	146 Å²	146	146.6 Å²	146.6	78%	0.781	79%	0.79	S	S	*	*			trans	61.2	96.2	142.4	-55.1	-10.9	0	0	0	122.3
202	H	37.4	Very low	39.8	Very low	184 Å²	184	143 Å²	143	85%	0.852	78%	0.784	S	S	*	*				21.8	158.7	103	-67.2	-47	0	0	0	121.1
203	P	42.9	Very low	39.3	Very low	94 Å²	94	143.8 Å²	143.8	61%	0.61	79%	0.791	S	S	*	*			cis	-147.2	171.5	26.7	45.6	-27.4	0	0	0	119.9
204	F	38.2	Very low	39.2	Very low	202 Å²	202	143.3 Å²	143.3	89%	0.886	78%	0.783	S	S	*	*			trans	59.5	153.3	162.3	-53.8	-57.3	0	0	0	118.8
205	S	36.2	Very low	39.2	Very low	114 Å²	114	142.5 Å²	142.5	80%	0.797	77%	0.772	S	S	*	*			cis	-129.5	174	3.6	61.9	0	0	0	0	112.5
206	Q	37	Very low	38.7	Very low	176 Å²	176	145.3 Å²	145.3	82%	0.822	77%	0.774	S	S	*	*			trans	-99.3	140	-171.8	-59	155.9	-49.8	0	0	112.2
207	Y	33.7	Very low	39.2	Very low	239 Å²	239	143.4 Å²	143.4	94%	0.937	76%	0.762	S	S	*	*			trans	-146.1	140	145.6	-98	-74.7	0	0	0	110.7
208	S	35.8	Very low	39.3	Very low	98 Å²	98	141.4 Å²	141.4	69%	0.685	75%	0.752	S	S	*	*			trans	-83.4	153.2	-171.8	-55.3	0	0	0	0	112.9	S210	S208-S210 PolarHBondContact O-N 2.96Å
209	P	36.5	Very low	39.7	Very low	134 Å²	134	141.2 Å²	141.2	87%	0.87	75%	0.752	S	S	*	*			trans	-71.9	89.8	173.9	30.2	-34.7	0	0	0	111
210	S	34.3	Very low	40.2	Very low	95 Å²	95	140.9 Å²	140.9	66%	0.664	74%	0.74	S	S	*	*			trans	-65.4	133.4	172.2	-72	0	0	0	0	110.9	S208 H212	S208-S210 PolarHBondContact O-N 2.96Å; S210-H212 PolarHBondContact O-N 2.86Å
211	R	33.4	Very low	40.9	Very low	244 Å²	244	139.4 Å²	139.4	92%	0.921	73%	0.726	S	S	*	*			trans	-62.2	120.1	172.4	-69	177.9	173.8	-171.7	-2.8	109.9
212	H	38.3	Very low	42	Very low	168 Å²	168	134.3 Å²	134.3	78%	0.778	70%	0.699	S	S	*	*			trans	-114	122.3	158.7	-70.5	-14.9	0	0	0	108.4	S210 V214	S210-H212 PolarHBondContact O-N 2.86Å; H212-V214 PolarHBondContact O-N 3.05Å
213	S	33.9	Very low	43.2	Very low	118 Å²	118	134 Å²	134	83%	0.825	69%	0.69	S	S	*	*			trans	-70.7	105.9	172.5	47.6	0	0	0	0	108.3	S215	S213-S215 PolarHBondContact O-N 2.58Å
214	V	39.9	Very low	44	Very low	114 Å²	114	131.8 Å²	131.8	69%	0.691	68%	0.675	S	S	*	*			trans	-57.2	124	165	178.4	0	0	0	0	107.1	H212 D218	H212-V214 PolarHBondContact O-N 3.05Å; V214-D218 HydrophobicContact CG1-CB 4.23Å
215	S	39.8	Very low	45.2	Very low	73 Å²	73	130.3 Å²	130.3	51%	0.51	66%	0.663	S	S	.	*			trans	-67.3	152.9	175.9	42.2	0	0	0	0	110	S213 T217	S213-S215 PolarHBondContact O-N 2.58Å; S215-T217 PolarHBondContact O-N 2.9Å; S215-T217 PolarHBondContact O-OG1 3.16Å; S215-T217 PolarHBondContact OG-OG1 3.31Å
216	Q	43.1	Very low	46.1	Very low	185 Å²	185	129.9 Å²	129.9	86%	0.864	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	40.8	-173.2	-156.8	168.7	17.3	0	0	112.9
217	T	48.3	Very low	47.3	Very low	84 Å²	84	124 Å²	124	52%	0.515	62%	0.616	S	S	.	*	T	Hydrogen-bonded Turn	trans	-119.7	-28.8	-169.9	45.9	0	0	0	0	112.5	S215 E219	S215-T217 PolarHBondContact O-N 2.9Å; S215-T217 PolarHBondContact O-OG1 3.16Å; S215-T217 PolarHBondContact OG-OG1 3.31Å; T217-E219 VanDerWaalsContact C-N 3.3Å; T217-E219 PolarHBondContact O-N 2.83Å
218	D	46.1	Very low	48.6	Very low	99 Å²	99	117.8 Å²	117.8	53%	0.529	60%	0.595	S	S	.	*	G	3₁₀ helix	trans	-81.7	-13.1	-167.6	-60.3	6.2	0	0	0	112.2	V214 Q220	V214-D218 HydrophobicContact CG1-CB 4.23Å; D218-Q220 PolarHBondContact O-N 2.85Å
219	E	51.2	Low	50	Low	164 Å²	164	118.3 Å²	118.3	77%	0.766	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-69.4	-6	174.9	-62.1	-172.1	146.7	0	0	113.5	T217	T217-E219 VanDerWaalsContact C-N 3.3Å; T217-E219 PolarHBondContact O-N 2.83Å
220	Q	59.2	Low	51.6	Low	102 Å²	102	114.5 Å²	114.5	48%	0.477	56%	0.555	S	S	.	*	G	3₁₀ helix	trans	-111.4	35.7	179.3	-67.4	-169.1	-27.7	0	0	113.3	D218 P244 Q245	D218-Q220 PolarHBondContact O-N 2.85Å; Q220-P244 CarbonylContact O-C 3.59Å; Q220-P244 WeakPolarHBondContact O-CA 3.42Å; Q220-Q245 HydrophobicContact CB-CB 4.25Å; Q220-Q245 PolarHBondContact O-N 2.79Å
221	M	54.8	Low	53.2	Low	94 Å²	94	120.5 Å²	120.5	46%	0.463	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.5	129.2	177.1	-71.7	-75.3	-108.6	0	0	112.2	D242 P244	M221-D242 HydrophobicContact CB-CB 4.48Å; M221-D242 HydrophobicContact CE-CB 3.55Å; M221-D242 HydrophobicContact SD-CB 4.16Å; M221-P244 HydrophobicContact SD-CB 4.41Å
222	L	62.3	Low	54.8	Low	40 Å²	40	119.5 Å²	119.5	21%	0.209	57%	0.565	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.7	115.8	171.2	-80.7	165.6	0	0	0	109.8	V224 V243 Q245 I405 N406	L222-V224 HydrophobicContact CB-CG2 4.46Å; L222-V224 PolarHBondContact O-N 3.15Å; L222-V224 VanDerWaalsContact O-N 3.15Å; L222-V243 PolarHBondContact N-O 2.81Å; L222-V243 PolarHBondContact O-N 2.83Å; L222-Q245 HydrophobicContact CD1-CG 3.8Å; L222-Q245 HydrophobicContact CG-CG 3.64Å; L222-I405 HydrophobicContact CD2-CG2 4.36Å; L222-N406 WeakPolarHBondContact CD2-OD1 3.44Å
223	R	62.1	Low	55.6	Low	177 Å²	177	113 Å²	113	67%	0.668	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	101.6	174.3	-174	172.2	178.6	145.2	-3	110.7	D240 D242	R223-D240 HydrophobicContact CG-CB 4.37Å; R223-D240 IonicContact CZ-OD2 3.65Å; R223-D240 VanDerWaalsContact CZ-OD2 3.27Å; R223-D240 IonicContact NE-OD2 2.68Å; R223-D240 PolarHBondContact NE-OD2 2.92Å; R223-D240 IonicContact NH2-OD2 2.81Å; R223-D240 PolarHBondContact NH2-OD2 2.89Å; R223-D242 WeakPolarHBondContact CA-OD1 3.32Å; R223-D242 VanDerWaalsContact CB-OD1 3.3Å; R223-D242 WeakPolarHBondContact CB-OD1 3.39Å; R223-D242 WeakPolarHBondContact CG-OD1 3.24Å
224	V	59.6	Low	56.9	Low	48 Å²	48	111.8 Å²	111.8	29%	0.291	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	116.2	178.6	-178.1	0	0	0	0	109.6	L222 R226 R241 V243	L222-V224 HydrophobicContact CB-CG2 4.46Å; L222-V224 PolarHBondContact O-N 3.15Å; L222-V224 VanDerWaalsContact O-N 3.15Å; V224-R226 PolarHBondContact O-N 3.33Å; V224-R241 PolarHBondContact N-O 3.32Å; V224-R241 PolarHBondContact O-N 3.4Å; V224-V243 HydrophobicContact CB-CG2 4.03Å; V224-V243 HydrophobicContact CG2-CB 4.13Å; V224-V243 HydrophobicContact CG2-CG2 3.77Å
225	R	64.1	Low	58	Low	171 Å²	171	109.2 Å²	109.2	65%	0.645	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	110.7	173.7	171.6	163.5	-88.8	-172.7	-7.8	109.8	F227 D240	R225-F227 HydrophobicContact CG-CE2 4.36Å; R225-F227 HydrophobicContact CG-CZ 4.31Å; R225-D240 IonicContact CZ-OD1 3.44Å; R225-D240 IonicContact NE-OD1 2.68Å; R225-D240 PolarHBondContact NE-OD1 3.47Å; R225-D240 IonicContact NH2-OD1 3.23Å; R225-D240 PolarHBondContact NH2-OD1 3.04Å; R225-D240 IonicContact NH2-OD2 2.83Å
226	R	55.2	Low	59.2	Low	105 Å²	105	111.1 Å²	111.1	40%	0.396	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	137.9	-175.8	-148.2	173.9	-158.4	-129.9	2.1	112	V224 G239 N510 D514	V224-R226 PolarHBondContact O-N 3.33Å; R226-G239 PolarHBondContact N-O 3.02Å; R226-G239 PolarHBondContact O-N 3.19Å; R226-N510 PolarHBondContact NH2-O 3.43Å; R226-D514 IonicContact CZ-OD2 3.71Å; R226-D514 IonicContact NE-OD2 3.64Å; R226-D514 PolarHBondContact NE-OD2 3.39Å; R226-D514 VanDerWaalsContact NE-OD2 3.1Å; R226-D514 IonicContact NH2-OD2 3.99Å; R226-D514 PolarHBondContact NH2-OD2 3.09Å
227	F	61.8	Low	59.8	Low	51 Å²	51	104.5 Å²	104.5	22%	0.224	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122.7	171.3	-61.4	-78.7	0	0	0	109.2	R225 V235 K238 S382 I385	R225-F227 HydrophobicContact CG-CE2 4.36Å; R225-F227 HydrophobicContact CG-CZ 4.31Å; F227-V235 HydrophobicContact CB-CG1 4.48Å; F227-V235 HydrophobicContact CD1-CG1 4.18Å; F227-K238 HydrophobicContact CD1-CD 4.43Å; F227-K238 HydrophobicContact CD1-CG 3.89Å; F227-K238 HydrophobicContact CE1-CD 4Å; F227-K238 HydrophobicContact CE1-CG 3.91Å; F227-S382 WeakPolarHBondContact CE2-O 3.45Å; F227-I385 HydrophobicContact CE1-CD1 4.47Å
228	E	59.8	Low	60.2	Low	109 Å²	109	107.1 Å²	107.1	51%	0.509	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126.7	172.3	-171.6	170.1	-149.7	0	0	108.6	V235 I236 S237	E228-V235 CarbonylContact O-C 3.57Å; E228-V235 WeakPolarHBondContact O-CA 3.4Å; E228-I236 PolarHBondContact O-N 3.48Å; E228-S237 WeakPolarHBondContact CB-OG 3.32Å; E228-S237 PolarHBondContact N-O 3.06Å; E228-S237 PolarHBondContact O-N 2.91Å; E228-S237 WeakPolarHBondContact OE2-CB 3.46Å; E228-S237 PolarHBondContact OE2-OG 2.94Å
229	R	66.9	Low	60.8	Low	109 Å²	109	103.8 Å²	103.8	41%	0.411	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	147.6	-179.4	-69.8	176.5	-176.7	-114	13.7	111.3	G233 D234 V235 T381	R229-G233 WeakPolarHBondContact CD-O 3.39Å; R229-G233 PolarHBondContact NH1-O 2.95Å; R229-D234 CarbonylContact C-O 3.57Å; R229-D234 WeakPolarHBondContact CA-O 3.46Å; R229-V235 HydrophobicContact CG-CG2 3.85Å; R229-T381 PolarHBondContact NE-O 2.92Å; R229-T381 PolarHBondContact NH2-O 3.04Å
230	N	70.1	Confident	61.5	Low	54 Å²	54	98.6 Å²	98.6	29%	0.289	46%	0.46	S	S	.	.			trans	-77.3	176	173.5	76.1	10.2	0	0	0	111.4	R232 G233 D234 I236	N230-R232 PolarHBondContact O-N 3.31Å; N230-R232 VanDerWaalsContact OD1-CA 3.31Å; N230-R232 WeakPolarHBondContact OD1-CA 3.43Å; N230-R232 VanDerWaalsContact OD1-CB 3.31Å; N230-R232 WeakPolarHBondContact OD1-CB 3.39Å; N230-R232 PolarHBondContact OD1-N 3.21Å; N230-G233 PolarHBondContact O-N 2.84Å; N230-G233 PolarHBondContact OD1-N 3.35Å; N230-D234 PolarHBondContact N-O 3.37Å; N230-D234 WeakPolarHBondContact ND2-CB 3.37Å; N230-D234 PolarHBondContact ND2-OD2 3Å; N230-D234 PolarHBondContact OD1-N 3.08Å; N230-D234 PolarHBondContact OD1-OD2 3.16Å; N230-I236 HydrophobicContact CB-CD1 3.77Å; N230-I236 HydrophobicContact CB-CG1 3.88Å
231	K	68	Low	61.7	Low	222 Å²	222	101.8 Å²	101.8	97%	0.965	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-1.8	178.3	-62	-174.5	-179.6	-179.2	0	115.2
232	R	66.6	Low	62.2	Low	223 Å²	223	101.6 Å²	101.6	84%	0.842	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-9.6	176.5	-53.8	-179	177.7	-158.4	-2.1	112.7	N230	N230-R232 PolarHBondContact O-N 3.31Å; N230-R232 VanDerWaalsContact OD1-CA 3.31Å; N230-R232 WeakPolarHBondContact OD1-CA 3.43Å; N230-R232 VanDerWaalsContact OD1-CB 3.31Å; N230-R232 WeakPolarHBondContact OD1-CB 3.39Å; N230-R232 PolarHBondContact OD1-N 3.21Å
233	G	54.4	Low	62.3	Low	30 Å²	30	102.6 Å²	102.6	31%	0.309	48%	0.476	S	S	.	.	S	Bend	trans	100.5	-5.3	-177.2	0	0	0	0	0	115	R229 N230	R229-G233 WeakPolarHBondContact CD-O 3.39Å; R229-G233 PolarHBondContact NH1-O 2.95Å; N230-G233 PolarHBondContact O-N 2.84Å; N230-G233 PolarHBondContact OD1-N 3.35Å
234	D	62.2	Low	62	Low	93 Å²	93	97.9 Å²	97.9	50%	0.497	47%	0.468	S	S	.	.			trans	-73	134.4	-179.1	-42.6	-55.6	0	0	0	110.7	R229 N230 I236	R229-D234 CarbonylContact C-O 3.57Å; R229-D234 WeakPolarHBondContact CA-O 3.46Å; N230-D234 PolarHBondContact N-O 3.37Å; N230-D234 WeakPolarHBondContact ND2-CB 3.37Å; N230-D234 PolarHBondContact ND2-OD2 3Å; N230-D234 PolarHBondContact OD1-N 3.08Å; N230-D234 PolarHBondContact OD1-OD2 3.16Å; D234-I236 PolarHBondContact O-N 2.91Å
235	V	62.5	Low	61.6	Low	60 Å²	60	99.1 Å²	99.1	36%	0.364	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	117.7	178.7	178.2	0	0	0	0	110.6	F227 E228 R229 S237 K238	F227-V235 HydrophobicContact CB-CG1 4.48Å; F227-V235 HydrophobicContact CD1-CG1 4.18Å; E228-V235 CarbonylContact O-C 3.57Å; E228-V235 WeakPolarHBondContact O-CA 3.4Å; R229-V235 HydrophobicContact CG-CG2 3.85Å; V235-S237 WeakPolarHBondContact CG1-O 3.34Å; V235-K238 HydrophobicContact CG1-CG 4.16Å
236	I	65.4	Low	61.2	Low	114 Å²	114	97 Å²	97	59%	0.585	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	-45.9	176.2	-45.6	176.8	0	0	0	110.8	E228 N230 D234	E228-I236 PolarHBondContact O-N 3.48Å; N230-I236 HydrophobicContact CB-CD1 3.77Å; N230-I236 HydrophobicContact CB-CG1 3.88Å; D234-I236 PolarHBondContact O-N 2.91Å
237	S	56.3	Low	60.4	Low	45 Å²	45	98.4 Å²	98.4	32%	0.315	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	149.3	-175.3	85.5	0	0	0	0	112.5	E228 V235	E228-S237 WeakPolarHBondContact CB-OG 3.32Å; E228-S237 PolarHBondContact N-O 3.06Å; E228-S237 PolarHBondContact O-N 2.91Å; E228-S237 WeakPolarHBondContact OE2-CB 3.46Å; E228-S237 PolarHBondContact OE2-OG 2.94Å; V235-S237 WeakPolarHBondContact CG1-O 3.34Å
238	K	54.9	Low	59.3	Low	140 Å²	140	100 Å²	100	61%	0.609	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	111.1	172.3	-62.3	-173.6	177.6	178.2	0	106.9	F227 V235 I385	F227-K238 HydrophobicContact CD1-CD 4.43Å; F227-K238 HydrophobicContact CD1-CG 3.89Å; F227-K238 HydrophobicContact CE1-CD 4Å; F227-K238 HydrophobicContact CE1-CG 3.91Å; V235-K238 HydrophobicContact CG1-CG 4.16Å; K238-I385 VanDerWaalsContact NZ-CD1 3.3Å
239	G	59.9	Low	58.3	Low	28 Å²	28	100.2 Å²	100.2	29%	0.289	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	118.1	-176.7	0	0	0	0	0	111.4	R226	R226-G239 PolarHBondContact N-O 3.02Å; R226-G239 PolarHBondContact O-N 3.19Å
240	D	64.4	Low	56.7	Low	55 Å²	55	99.2 Å²	99.2	29%	0.294	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	127.1	162.1	-62	9.8	0	0	0	107.3	R223 R225	R223-D240 HydrophobicContact CG-CB 4.37Å; R223-D240 IonicContact CZ-OD2 3.65Å; R223-D240 VanDerWaalsContact CZ-OD2 3.27Å; R223-D240 IonicContact NE-OD2 2.68Å; R223-D240 PolarHBondContact NE-OD2 2.92Å; R223-D240 IonicContact NH2-OD2 2.81Å; R223-D240 PolarHBondContact NH2-OD2 2.89Å; R225-D240 IonicContact CZ-OD1 3.44Å; R225-D240 IonicContact NE-OD1 2.68Å; R225-D240 PolarHBondContact NE-OD1 3.47Å; R225-D240 IonicContact NH2-OD1 3.23Å; R225-D240 PolarHBondContact NH2-OD1 3.04Å; R225-D240 IonicContact NH2-OD2 2.83Å
241	R	64.4	Low	54.9	Low	170 Å²	170	101 Å²	101	64%	0.642	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.8	172.5	-72.3	-170.7	178.9	-170.5	0.9	109.4	V224 V243	V224-R241 PolarHBondContact N-O 3.32Å; V224-R241 PolarHBondContact O-N 3.4Å; R241-V243 PolarHBondContact O-N 2.98Å
242	D	66	Low	53.3	Low	89 Å²	89	99.4 Å²	99.4	48%	0.476	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	116.9	169.9	-55.2	-53.5	0	0	0	108.8	M221 R223	M221-D242 HydrophobicContact CB-CB 4.48Å; M221-D242 HydrophobicContact CE-CB 3.55Å; M221-D242 HydrophobicContact SD-CB 4.16Å; R223-D242 WeakPolarHBondContact CA-OD1 3.32Å; R223-D242 VanDerWaalsContact CB-OD1 3.3Å; R223-D242 WeakPolarHBondContact CB-OD1 3.39Å; R223-D242 WeakPolarHBondContact CG-OD1 3.24Å
243	V	63	Low	51.8	Low	62 Å²	62	94 Å²	94	38%	0.376	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.3	-178.6	-180	0	0	0	0	107.8	L222 V224 R241 Q245	L222-V243 PolarHBondContact N-O 2.81Å; L222-V243 PolarHBondContact O-N 2.83Å; V224-V243 HydrophobicContact CB-CG2 4.03Å; V224-V243 HydrophobicContact CG2-CB 4.13Å; V224-V243 HydrophobicContact CG2-CG2 3.77Å; R241-V243 PolarHBondContact O-N 2.98Å; V243-Q245 PolarHBondContact O-N 3.42Å
244	P	55.5	Low	51	Low	78 Å²	78	98.1 Å²	98.1	51%	0.506	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	139.2	-179.8	25.3	-33.9	0	0	0	111.6	Q220 M221 I246	Q220-P244 CarbonylContact O-C 3.59Å; Q220-P244 WeakPolarHBondContact O-CA 3.42Å; M221-P244 HydrophobicContact SD-CB 4.41Å; P244-I246 PolarHBondContact O-N 2.91Å
245	Q	53	Low	49.8	Very low	73 Å²	73	100 Å²	100	34%	0.341	55%	0.55	S	S	.	.			trans	-68.3	82.3	167.7	-70.4	-170.9	26	0	0	109.5	Q220 L222 V243 E247	Q220-Q245 HydrophobicContact CB-CB 4.25Å; Q220-Q245 PolarHBondContact O-N 2.79Å; L222-Q245 HydrophobicContact CD1-CG 3.8Å; L222-Q245 HydrophobicContact CG-CG 3.64Å; V243-Q245 PolarHBondContact O-N 3.42Å; Q245-E247 PolarHBondContact O-N 3.24Å
246	I	55	Low	48.5	Very low	128 Å²	128	100 Å²	100	66%	0.656	56%	0.561	S	S	*	*			trans	-59.4	125.9	166.6	-59.5	172.5	0	0	0	107.5	P244 I248	P244-I246 PolarHBondContact O-N 2.91Å; I246-I248 VanDerWaalsContact C-N 3.33Å; I246-I248 PolarHBondContact O-N 3.48Å
247	E	37.5	Very low	46.9	Very low	134 Å²	134	102.5 Å²	102.5	63%	0.626	58%	0.576	S	S	*	*			trans	-66.9	90.4	174.1	-70.2	-169.5	170.5	0	0	110.7	Q245 F249 A250	Q245-E247 PolarHBondContact O-N 3.24Å; E247-F249 PolarHBondContact O-N 3.24Å; E247-A250 WeakPolarHBondContact O-CB 3.49Å; E247-A250 PolarHBondContact O-N 2.92Å
248	I	38.6	Very low	46	Very low	85 Å²	85	106.2 Å²	106.2	44%	0.436	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.3	-9.3	175.5	-68	170.9	0	0	0	112.1	I246	I246-I248 VanDerWaalsContact C-N 3.33Å; I246-I248 PolarHBondContact O-N 3.48Å
249	F	39.9	Very low	44.8	Very low	113 Å²	113	111.3 Å²	111.3	50%	0.496	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.7	-2.5	176	-63.8	-76.5	0	0	0	115.3	E247 S251 R252 I522	E247-F249 PolarHBondContact O-N 3.24Å; F249-S251 PolarHBondContact O-N 3.22Å; F249-R252 PolarHBondContact O-N 3.17Å; F249-I522 HydrophobicContact CZ-CG2 4.46Å
250	A	33.8	Very low	43.7	Very low	87 Å²	87	113.5 Å²	113.5	72%	0.719	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-11.5	179.8	0	0	0	0	0	114.8	E247	E247-A250 WeakPolarHBondContact O-CB 3.49Å; E247-A250 PolarHBondContact O-N 2.92Å
251	S	32.4	Very low	42.1	Very low	93 Å²	93	116.3 Å²	116.3	65%	0.65	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	32.4	173.7	72.6	0	0	0	0	114.4	F249	F249-S251 PolarHBondContact O-N 3.22Å
252	R	33.9	Very low	40.8	Very low	187 Å²	187	114.1 Å²	114.1	71%	0.706	67%	0.669	S	S	*	*	S	Bend	trans	-101.5	96.7	159.8	-82.3	-173.7	176.4	-117	6.9	109.9	F249 P254	F249-R252 PolarHBondContact O-N 3.17Å; R252-P254 VanDerWaalsContact O-CD 3.28Å; R252-P254 WeakPolarHBondContact O-CD 3.32Å
253	S	35.2	Very low	39.2	Very low	109 Å²	109	115.6 Å²	115.6	76%	0.762	68%	0.681	S	S	*	*			trans	-54.2	115.1	-179.1	-47.9	0	0	0	0	112.5	S255	S253-S255 PolarHBondContact O-N 3.39Å
254	P	37.4	Very low	37.9	Very low	118 Å²	118	122.3 Å²	122.3	77%	0.766	70%	0.701	S	S	*	*			trans	-74.5	113.9	168.7	30	-31	0	0	0	108.7	R252 G256	R252-P254 VanDerWaalsContact O-CD 3.28Å; R252-P254 WeakPolarHBondContact O-CD 3.32Å; P254-G256 VanDerWaalsContact C-N 3.31Å; P254-G256 PolarHBondContact O-N 2.87Å
255	S	37.2	Very low	37.2	Very low	133 Å²	133	124.1 Å²	124.1	93%	0.93	71%	0.712	S	S	*	*			trans	-73.3	84	173.5	58.5	0	0	0	0	110.4	S253	S253-S255 PolarHBondContact O-N 3.39Å
256	G	34.8	Very low	36.3	Very low	58 Å²	58	129.3 Å²	129.3	60%	0.598	74%	0.737	S	S	*	*	S	Bend	trans	175.9	132	175.2	0	0	0	0	0	113.1	P254 S258	P254-G256 VanDerWaalsContact C-N 3.31Å; P254-G256 PolarHBondContact O-N 2.87Å; G256-S258 PolarHBondContact O-N 3.06Å
257	D	32.5	Very low	35.5	Very low	168 Å²	168	129.6 Å²	129.6	90%	0.898	74%	0.744	S	S	*	*			trans	-59.2	124.3	179.1	-71.4	-82.6	0	0	0	113.1
258	S	36.6	Very low	35.4	Very low	122 Å²	122	130.3 Å²	130.3	85%	0.853	75%	0.751	S	S	*	*			trans	-156.4	120.5	158.7	-82.9	0	0	0	0	111.3	G256 G260	G256-S258 PolarHBondContact O-N 3.06Å; S258-G260 PolarHBondContact O-N 3.28Å
259	R	30.6	Very low	35.4	Very low	247 Å²	247	132.2 Å²	132.2	93%	0.932	77%	0.769	S	S	*	*			trans	-77.1	104.1	175.5	-75.1	178.1	161	103.3	-0.9	110
260	G	35	Very low	35	Very low	75 Å²	75	135.6 Å²	135.6	77%	0.773	79%	0.786	S	S	*	*			trans	-114	105.6	169.4	0	0	0	0	0	111	S258	S258-G260 PolarHBondContact O-N 3.28Å
261	S	32.3	Very low	35.2	Very low	113 Å²	113	136.7 Å²	136.7	79%	0.79	79%	0.789	S	S	*	*			trans	-102.3	120.4	172.7	-177.1	0	0	0	0	109
262	V	35.7	Very low	35.4	Very low	125 Å²	125	136.9 Å²	136.9	76%	0.758	79%	0.79	S	S	*	*			trans	-113.9	126.1	174	-179.6	0	0	0	0	108
263	V	34.3	Very low	35.7	Very low	120 Å²	120	135.8 Å²	135.8	73%	0.727	79%	0.793	S	S	*	*			trans	-114.6	125.6	-178.3	175.8	0	0	0	0	108.2
264	Y	35.8	Very low	35.7	Very low	203 Å²	203	136.8 Å²	136.8	80%	0.796	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-84.9	130.6	170.1	-76.6	-82.1	0	0	0	110.2
265	P	40.8	Very low	35.9	Very low	115 Å²	115	138.5 Å²	138.5	75%	0.747	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-83.1	118.8	176.9	31.5	-32	0	0	0	111.3
266	H	32.5	Very low	36	Very low	183 Å²	183	136.9 Å²	136.9	85%	0.847	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-85.9	127.7	161.6	-81.3	-76.7	0	0	0	110
267	T	38.5	Very low	36.2	Very low	133 Å²	133	142.7 Å²	142.7	82%	0.816	79%	0.792	S	S	*	*			trans	-140.1	131.8	158.8	37.7	0	0	0	0	110.2
268	I	35.3	Very low	36.5	Very low	149 Å²	149	140.2 Å²	140.2	76%	0.764	79%	0.788	S	S	*	*			trans	-134.2	139.3	168.3	-62.8	172.6	0	0	0	105.4
269	P	38.1	Very low	36.6	Very low	126 Å²	126	140.2 Å²	140.2	82%	0.818	79%	0.787	S	S	*	*			trans	-121	143.7	141.3	2.2	18.9	0	0	0	111.1
270	E	32.3	Very low	37.1	Very low	184 Å²	184	135.8 Å²	135.8	86%	0.86	78%	0.781	S	S	*	*			trans	-73.6	159.7	173.8	-53	171.1	124.4	0	0	111.5
271	S	37.2	Very low	37.5	Very low	110 Å²	110	137.8 Å²	137.8	77%	0.769	78%	0.784	S	S	*	*				-170.7	133.9	129.6	26.6	0	0	0	0	114.3
272	S	38.3	Very low	37.7	Very low	97 Å²	97	138.9 Å²	138.9	68%	0.678	78%	0.781	S	S	*	*			trans	61.9	114.6	148.4	49.9	0	0	0	0	122.2
273	Q	39.6	Very low	37.8	Very low	164 Å²	164	142.4 Å²	142.4	77%	0.766	79%	0.789	S	S	*	*				99.3	108.7	118.5	-74.8	177.5	20.6	0	0	122
274	N	35.8	Very low	37.9	Very low	130 Å²	130	142 Å²	142	70%	0.695	79%	0.787	S	S	*	*				106.1	129.9	117.5	-70.5	-6.2	0	0	0	121.5
275	L	40.1	Very low	38	Very low	154 Å²	154	140.1 Å²	140.1	81%	0.806	79%	0.789	S	S	*	*			trans	71.8	106.3	153.2	-63.1	164.7	0	0	0	116.6
276	S	39.3	Very low	37.6	Very low	98 Å²	98	142.9 Å²	142.9	69%	0.685	79%	0.792	S	S	*	*				94.3	140.7	81.8	69.3	0	0	0	0	111.9
277	E	39.8	Very low	37.6	Very low	180 Å²	180	141.4 Å²	141.4	84%	0.841	79%	0.788	S	S	*	*			cis	-164.7	161.4	-0.3	-123.3	177.8	-177.9	0	0	109.2
278	S	39.1	Very low	37.7	Very low	117 Å²	117	141.2 Å²	141.2	82%	0.818	79%	0.789	S	S	*	*			trans	66	151.4	170.9	80.9	0	0	0	0	117.5
279	S	39.2	Very low	37.5	Very low	121 Å²	121	137.7 Å²	137.7	85%	0.846	78%	0.782	S	S	*	*			cis	-151	158.2	-9.9	-122.9	0	0	0	0	112.8
280	L	40.5	Very low	37.2	Very low	154 Å²	154	139.2 Å²	139.2	81%	0.806	78%	0.782	S	S	*	*			trans	-66.1	146.1	-168.7	-61.2	158.1	0	0	0	116.5
281	S	42	Very low	37.2	Very low	118 Å²	118	136.6 Å²	136.6	83%	0.825	78%	0.778	S	S	*	*				-163.6	122.8	126.6	63	0	0	0	0	110.7
282	D	37.7	Very low	36.9	Very low	136 Å²	136	137.6 Å²	137.6	73%	0.727	78%	0.78	S	S	*	*			trans	-81.6	146.7	-172.1	-50.8	-91.7	0	0	0	114.8
283	E	37.6	Very low	36.9	Very low	199 Å²	199	139.3 Å²	139.3	93%	0.93	79%	0.787	S	S	*	*			trans	-148.3	128.4	139.5	-151.4	171.8	-137.9	0	0	109.4
284	V	36.1	Very low	36.6	Very low	112 Å²	112	139.9 Å²	139.9	68%	0.679	79%	0.794	S	S	*	*			trans	-118.5	127.4	-168.3	175.9	0	0	0	0	110.9
285	I	38.6	Very low	36.5	Very low	163 Å²	163	138 Å²	138	84%	0.836	80%	0.797	S	S	*	*			trans	-132.2	126.6	160.6	-60.6	-177.6	0	0	0	108.1
286	E	31.6	Very low	36.2	Very low	173 Å²	173	136.5 Å²	136.5	81%	0.808	80%	0.799	S	S	*	*			trans	-76.7	143.1	-170.7	-58.1	175.7	124.4	0	0	113
287	I	32.6	Very low	36	Very low	152 Å²	152	136.8 Å²	136.8	78%	0.779	80%	0.801	S	S	*	*			trans	-124.2	112.6	162.2	-58.9	177.9	0	0	0	107.4	A289	I287-A289 PolarHBondContact O-N 3.02Å
288	P	41.5	Very low	35.9	Very low	129 Å²	129	134.4 Å²	134.4	84%	0.838	80%	0.802	S	S	*	*			trans	-72	119.6	176.2	28.7	-32.8	0	0	0	109.9
289	A	29.8	Very low	35.6	Very low	74 Å²	74	139 Å²	139	61%	0.612	80%	0.801	S	S	*	*			trans	-113.6	142.4	-176.9	0	0	0	0	0	111.7	I287	I287-A289 PolarHBondContact O-N 3.02Å
290	I	32.1	Very low	35.3	Very low	158 Å²	158	137.4 Å²	137.4	81%	0.81	80%	0.795	S	S	*	*			trans	72.1	130.6	161.6	-57.8	152.7	0	0	0	111.8
291	T	33.7	Very low	35	Very low	129 Å²	129	134.8 Å²	134.8	79%	0.791	79%	0.79	S	S	*	*				-140.1	133.8	68.1	48.5	0	0	0	0	114.7
292	T	30.8	Very low	34.5	Very low	131 Å²	131	135.2 Å²	135.2	80%	0.804	78%	0.783	S	S	*	*			trans	-98.4	126.8	163.1	50.8	0	0	0	0	109.9
293	T	36.6	Very low	34.2	Very low	134 Å²	134	135.9 Å²	135.9	82%	0.822	79%	0.787	S	S	*	*			trans	-119.7	109.3	169.3	53.6	0	0	0	0	110.6
294	L	34.1	Very low	33.8	Very low	175 Å²	175	129.9 Å²	129.9	92%	0.916	78%	0.778	S	S	*	*			trans	-82.7	133.2	175.5	-70.6	167.2	0	0	0	111
295	A	34.8	Very low	33.6	Very low	92 Å²	92	131.7 Å²	131.7	76%	0.76	78%	0.783	S	S	*	*			trans	-155	107.4	162.1	0	0	0	0	0	112.7
296	S	33.1	Very low	33.4	Very low	122 Å²	122	130.5 Å²	130.5	85%	0.853	77%	0.773	S	S	*	*			trans	51.3	112.5	143.2	-51.3	0	0	0	0	121.5
297	S	35.4	Very low	33.5	Very low	104 Å²	104	129.3 Å²	129.3	73%	0.727	77%	0.766	S	S	*	*			trans	-77.4	162.3	150.4	-174.9	0	0	0	0	110.3
298	P	37.4	Very low	33.6	Very low	130 Å²	130	128.8 Å²	128.8	84%	0.844	76%	0.763	S	S	*	*				-139.9	-159.4	99.8	39.3	-24.9	0	0	0	113.6
299	R	32	Very low	33.1	Very low	212 Å²	212	132 Å²	132	80%	0.8	76%	0.76	S	S	*	*			trans	-156.7	156.7	-153.1	177.6	-176.4	176.5	-156.8	-1.7	110.8
300	A	33.9	Very low	33.3	Very low	89 Å²	89	132.3 Å²	132.3	74%	0.736	76%	0.757	S	S	*	*			trans	70.1	158.6	164.8	0	0	0	0	0	117.2
301	S	32.8	Very low	33.6	Very low	99 Å²	99	133 Å²	133	69%	0.692	76%	0.755	S	S	*	*			cis	-171.8	-179.1	-22	57.1	0	0	0	0	112.4
302	N	32.1	Very low	33.6	Very low	126 Å²	126	137.7 Å²	137.7	67%	0.674	76%	0.758	S	S	*	*			trans	87	130.2	155.5	-73.2	45.1	0	0	0	122.1
303	D	31.5	Very low	33.9	Very low	151 Å²	151	135.6 Å²	135.6	81%	0.807	75%	0.754	S	S	*	*			trans	53.9	148.2	136.7	-51.6	-39.6	0	0	0	122.5
304	G	29.4	Very low	34.2	Very low	72 Å²	72	134.2 Å²	134.2	74%	0.742	75%	0.75	S	S	*	*			trans	-176.3	-18.8	178.6	0	0	0	0	0	120.9
305	L	32.6	Very low	34.6	Very low	151 Å²	151	131.2 Å²	131.2	79%	0.791	74%	0.744	S	S	*	*			trans	63.7	156.4	173.7	-67.9	165	0	0	0	119.1
306	H	33.8	Very low	34.9	Very low	137 Å²	137	132.2 Å²	132.2	63%	0.634	74%	0.742	S	S	*	*			trans	70	144	152.6	-69.4	-5.2	0	0	0	118.8
307	K	34.4	Very low	34.9	Very low	149 Å²	149	132.6 Å²	132.6	65%	0.648	74%	0.739	S	S	*	*			cis	-168.4	162.3	-10.2	-121.2	166.8	-178.8	154.2	0	109.4
308	I	33.5	Very low	35	Very low	140 Å²	140	139.5 Å²	139.5	72%	0.718	75%	0.749	S	S	*	*			trans	71.4	135.9	149.5	-69.8	164.8	0	0	0	116.6
309	Y	32	Very low	34.6	Very low	196 Å²	196	136 Å²	136	77%	0.769	74%	0.737	S	S	*	*			cis	-164.2	154.2	-7.4	-131.4	-147.5	0	0	0	111.4
310	S	33.9	Very low	34.6	Very low	81 Å²	81	135.5 Å²	135.5	57%	0.566	74%	0.741	S	S	*	*			trans	61.9	162.4	152.1	-70.5	0	0	0	0	117.9
311	K	37	Very low	34.7	Very low	174 Å²	174	137.8 Å²	137.8	76%	0.757	74%	0.74	S	S	*	*			cis	-159.5	156.4	-18.2	-103.2	159	-168	161.3	0	103.9
312	R	34	Very low	34.5	Very low	226 Å²	226	138.5 Å²	138.5	85%	0.853	74%	0.742	S	S	*	*			cis	-167.8	157	33.6	-133.1	170.4	-168.3	177.8	3.3	109.2
313	A	38.5	Very low	34.7	Very low	88 Å²	88	138.9 Å²	138.9	73%	0.727	74%	0.74	S	S	*	*			trans	36.1	143.4	135.5	0	0	0	0	0	122.5
314	S	41.6	Very low	34.5	Very low	105 Å²	105	137.5 Å²	137.5	73%	0.734	74%	0.737	S	S	*	*			cis	-178.3	169.5	-4.4	47.1	0	0	0	0	113.2
315	S	43.6	Very low	34.6	Very low	112 Å²	112	143.4 Å²	143.4	78%	0.783	74%	0.737	S	S	*	*			trans	99	143.7	154.5	86.9	0	0	0	0	117.1
316	P	40.4	Very low	34.5	Very low	113 Å²	113	143.8 Å²	143.8	73%	0.734	74%	0.739	S	S	*	*				-149.3	-169.7	-122.8	46	-25.5	0	0	0	117.6
317	V	34	Very low	34.2	Very low	130 Å²	130	148.9 Å²	148.9	79%	0.788	75%	0.753	S	S	*	*			trans	59.2	101.9	159.9	-173.2	0	0	0	0	117.9
318	R	36.4	Very low	34	Very low	248 Å²	248	147.2 Å²	147.2	94%	0.936	76%	0.759	S	S	*	*				-160.7	138.4	99.9	-131.8	163	-176.3	150.1	-0.5	110
319	G	30.2	Very low	33.8	Very low	58 Å²	58	149.9 Å²	149.9	60%	0.598	77%	0.766	S	S	*	*			trans	-125.3	170.9	171.4	0	0	0	0	0	110.7
320	F	31.6	Very low	33.6	Very low	201 Å²	201	145.3 Å²	145.3	88%	0.882	76%	0.762	S	S	*	*				178.3	142.8	122.7	-97.4	-63.8	0	0	0	111.8
321	I	36.4	Very low	33.4	Very low	136 Å²	136	153.2 Å²	153.2	70%	0.697	78%	0.78	S	S	*	*			trans	64.3	122.4	153.4	-61.1	159.2	0	0	0	117.9	E323	I321-E323 PolarHBondContact O-N 2.82Å
322	P	28.1	Very low	32.9	Very low	114 Å²	114	149.2 Å²	149.2	74%	0.74	78%	0.779	S	S	*	*			trans	-73.8	121.6	160.2	31.4	-30.8	0	0	0	109.4	T324	P322-T324 PolarHBondContact O-N 3.35Å
323	E	35.2	Very low	32.7	Very low	134 Å²	134	145 Å²	145	63%	0.626	77%	0.773	S	S	*	*			trans	-76.1	99.2	-174.6	-157.4	-173	-131.4	0	0	112.2	I321 R325	I321-E323 PolarHBondContact O-N 2.82Å; E323-R325 VanDerWaalsContact C-N 3.33Å; E323-R325 HydrophobicContact CG-CG 4.23Å; E323-R325 PolarHBondContact O-N 3.08Å; E323-R325 IonicContact OE1-CZ 2.71Å; E323-R325 VanDerWaalsContact OE1-CZ 3.23Å; E323-R325 IonicContact OE1-NE 3.71Å; E323-R325 IonicContact OE1-NH1 3.23Å; E323-R325 PolarHBondContact OE1-NH1 2.94Å; E323-R325 IonicContact OE1-NH2 2.97Å; E323-R325 WeakPolarHBondContact OE2-CD 3.41Å; E323-R325 IonicContact OE2-CZ 3.27Å; E323-R325 IonicContact OE2-NE 2.77Å; E323-R325 IonicContact OE2-NH1 3.44Å; E323-R325 PolarHBondContact OE2-NH1 2.89Å
324	T	28.6	Very low	32.2	Very low	123 Å²	123	146.9 Å²	146.9	76%	0.755	77%	0.774	S	S	*	*			trans	-72.5	77.3	176.5	44.9	0	0	0	0	112	P322 L326	P322-T324 PolarHBondContact O-N 3.35Å; T324-L326 WeakPolarHBondContact O-CD1 3.47Å
325	R	31.7	Very low	31.8	Very low	196 Å²	196	147.8 Å²	147.8	74%	0.74	78%	0.776	S	S	*	*			trans	-93.9	103.4	174.6	-86.6	-168.4	163.3	120.1	7.1	113.9	E323	E323-R325 VanDerWaalsContact C-N 3.33Å; E323-R325 HydrophobicContact CG-CG 4.23Å; E323-R325 PolarHBondContact O-N 3.08Å; E323-R325 IonicContact OE1-CZ 2.71Å; E323-R325 VanDerWaalsContact OE1-CZ 3.23Å; E323-R325 IonicContact OE1-NE 3.71Å; E323-R325 IonicContact OE1-NH1 3.23Å; E323-R325 PolarHBondContact OE1-NH1 2.94Å; E323-R325 IonicContact OE1-NH2 2.97Å; E323-R325 WeakPolarHBondContact OE2-CD 3.41Å; E323-R325 IonicContact OE2-CZ 3.27Å; E323-R325 IonicContact OE2-NE 2.77Å; E323-R325 IonicContact OE2-NH1 3.44Å; E323-R325 PolarHBondContact OE2-NH1 2.89Å
326	L	28.8	Very low	31.5	Very low	159 Å²	159	151 Å²	151	83%	0.832	78%	0.778	S	S	*	*			trans	-51.4	143.1	169.9	-65.7	64.4	0	0	0	111.8	T324	T324-L326 WeakPolarHBondContact O-CD1 3.47Å
327	R	27.6	Very low	31.2	Very low	244 Å²	244	150.9 Å²	150.9	92%	0.921	78%	0.781	S	S	*	*			trans	-144.2	101.4	140.7	-129.3	171.4	-173.8	164.7	3.1	113.9
328	S	31.1	Very low	31.6	Very low	113 Å²	113	149.7 Å²	149.7	79%	0.79	78%	0.776	S	S	*	*			trans	51.7	100.7	156.8	-55.5	0	0	0	0	119.3
329	K	28.9	Very low	31.4	Very low	196 Å²	196	144.7 Å²	144.7	85%	0.852	77%	0.767	S	S	*	*			trans	-63.9	156.5	152.3	-60.3	174.9	177.6	178.6	0	110.9
330	S	27.6	Very low	31.7	Very low	100 Å²	100	148 Å²	148	70%	0.699	78%	0.776	S	S	*	*			trans	49	123.1	146.5	-52.4	0	0	0	0	121
331	W	29.9	Very low	32.2	Very low	247 Å²	247	143.6 Å²	143.6	94%	0.936	77%	0.77	S	S	*	*				-137.4	97.5	127.5	-84.3	96.7	0	0	0	108.9	I333	W331-I333 HydrophobicContact CE3-CG1 4.4Å
332	A	27.2	Very low	32.3	Very low	90 Å²	90	142.7 Å²	142.7	74%	0.744	77%	0.773	S	S	*	*			trans	-117.8	121.9	163.4	0	0	0	0	0	106.2
333	I	30.3	Very low	32.8	Very low	139 Å²	139	145.2 Å²	145.2	71%	0.713	78%	0.78	S	S	*	*			trans	-94.8	108	178.9	-63.3	176	0	0	0	107.5	W331	W331-I333 HydrophobicContact CE3-CG1 4.4Å
334	V	26.8	Very low	32.9	Very low	126 Å²	126	146.6 Å²	146.6	76%	0.764	79%	0.785	S	S	*	*			trans	-109.2	133.8	159	178.2	0	0	0	0	105.9
335	T	34.2	Very low	33.3	Very low	125 Å²	125	149.3 Å²	149.3	77%	0.767	79%	0.793	S	S	*	*			trans	-146.2	130.9	170.5	-49.7	0	0	0	0	106.6
336	E	35.9	Very low	33.5	Very low	178 Å²	178	146.9 Å²	146.9	83%	0.832	79%	0.791	S	S	*	*			trans	-86.4	155.1	-166.4	-66.8	170.9	127.5	0	0	112.1
337	S	35.4	Very low	34	Very low	112 Å²	112	144.5 Å²	144.5	78%	0.783	79%	0.787	S	S	*	*			trans	-66.5	169.4	173.4	-30.2	0	0	0	0	111.2
338	P	41.4	Very low	34.6	Very low	105 Å²	105	139 Å²	139	68%	0.682	78%	0.783	S	S	*	*				-146.4	175.2	64.4	41.6	-22.3	0	0	0	117.1
339	D	32.1	Very low	34.7	Very low	142 Å²	142	139.2 Å²	139.2	76%	0.759	79%	0.785	S	S	*	*			trans	50.8	112	155.7	-50.1	-29.6	0	0	0	119
340	T	37.4	Very low	35	Very low	127 Å²	127	133 Å²	133	78%	0.779	78%	0.776	S	S	*	*				-173.9	147.2	73.7	-69.8	0	0	0	0	112.2
341	S	41.5	Very low	35.4	Very low	110 Å²	110	131.5 Å²	131.5	77%	0.769	78%	0.777	S	S	*	*			trans	69.6	133.2	167.2	72.1	0	0	0	0	118.5
342	P	37.9	Very low	36.2	Very low	116 Å²	116	125.7 Å²	125.7	75%	0.753	76%	0.76	S	S	*	*			trans	-97.3	146.9	175.7	36.7	-32.6	0	0	0	112.7
343	N	39.5	Very low	37.4	Very low	167 Å²	167	125.8 Å²	125.8	89%	0.893	75%	0.747	S	S	*	*			trans	-169.3	156	135.5	-108.9	-48.9	0	0	0	114
344	K	36.7	Very low	38.4	Very low	164 Å²	164	124.8 Å²	124.8	71%	0.713	74%	0.738	S	S	*	*			trans	61.7	102.7	170.9	-147.6	-174.5	-170.1	-161.1	0	117	E346	K344-E346 HydrophobicContact CD-CG 4.5Å; K344-E346 WeakPolarHBondContact CE-OE1 3.38Å; K344-E346 IonicContact NZ-OE1 2.84Å; K344-E346 PolarHBondContact NZ-OE1 2.93Å
345	L	36.6	Very low	40.1	Very low	179 Å²	179	120.1 Å²	120.1	94%	0.937	71%	0.707	S	S	*	*			trans	-72.1	122.9	161.4	-69.8	123.6	0	0	0	109.9
346	E	37.4	Very low	41.3	Very low	146 Å²	146	120.6 Å²	120.6	68%	0.682	71%	0.705	S	S	*	*			trans	-124.6	111.1	158.5	-75.6	-179.4	-177.9	0	0	107.8	K344	K344-E346 HydrophobicContact CD-CG 4.5Å; K344-E346 WeakPolarHBondContact CE-OE1 3.38Å; K344-E346 IonicContact NZ-OE1 2.84Å; K344-E346 PolarHBondContact NZ-OE1 2.93Å
347	S	39.5	Very low	42.7	Very low	109 Å²	109	119.9 Å²	119.9	76%	0.762	71%	0.707	S	S	*	*			trans	-69.1	135.8	179	48.3	0	0	0	0	110.4	S349	S347-S349 PolarHBondContact O-N 2.71Å; S347-S349 VanDerWaalsContact O-N 3.09Å
348	P	39.1	Very low	44.6	Very low	127 Å²	127	120.5 Å²	120.5	83%	0.825	69%	0.692	S	S	*	*			trans	-65.9	114.3	-179	27.3	-33.9	0	0	0	110.1	G350	P348-G350 PolarHBondContact O-N 3.49Å
349	S	34.3	Very low	46.9	Very low	119 Å²	119	120.2 Å²	120.2	83%	0.832	68%	0.684	S	S	*	*			trans	-65.2	100.4	170.7	44.1	0	0	0	0	109.3	S347 G351	S347-S349 PolarHBondContact O-N 2.71Å; S347-S349 VanDerWaalsContact O-N 3.09Å; S349-G351 PolarHBondContact O-N 2.76Å
350	G	35.3	Very low	49.7	Very low	65 Å²	65	113.5 Å²	113.5	67%	0.67	65%	0.649	S	S	*	*			trans	-58.2	112.7	166.3	0	0	0	0	0	108	P348 E352	P348-G350 PolarHBondContact O-N 3.49Å; G350-E352 PolarHBondContact O-N 2.88Å
351	G	35.2	Very low	52.4	Low	69 Å²	69	110.4 Å²	110.4	71%	0.711	63%	0.625	S	S	*	*			trans	-60.1	99.9	-170	0	0	0	0	0	112.3	S349 L353	S349-G351 PolarHBondContact O-N 2.76Å; G351-L353 PolarHBondContact O-N 2.85Å
352	E	46.5	Very low	54.9	Low	125 Å²	125	105.2 Å²	105.2	58%	0.584	59%	0.589	S	S	*	*			trans	-65.9	100.2	166.5	-66.4	-149.5	106.8	0	0	108	G350 F354	G350-E352 PolarHBondContact O-N 2.88Å; E352-F354 HydrophobicContact CB-CD2 4.32Å; E352-F354 HydrophobicContact CB-CE2 3.79Å; E352-F354 HydrophobicContact CB-CZ 3.96Å; E352-F354 WeakPolarHBondContact O-CD2 3.44Å; E352-F354 WeakPolarHBondContact O-CE2 3.45Å; E352-F354 PolarHBondContact O-N 2.77Å
353	L	52	Low	57.7	Low	91 Å²	91	99.7 Å²	99.7	48%	0.476	55%	0.553	S	S	.	*			trans	-67.2	88.7	163.3	-69.2	171.9	0	0	0	107.2	G351 K525 K529	G351-L353 PolarHBondContact O-N 2.85Å; L353-K525 VanDerWaalsContact O-CE 3.24Å; L353-K525 WeakPolarHBondContact O-CE 3.2Å; L353-K525 PolarHBondContact O-NZ 3.35Å; L353-K529 HydrophobicContact CD1-CG 3.93Å
354	F	52.2	Low	60.4	Low	119 Å²	119	91.8 Å²	91.8	52%	0.522	51%	0.511	S	S	.	.			trans	-55.9	149.5	160.1	-63.5	-81.1	0	0	0	108.9	E352 D356 L408	E352-F354 HydrophobicContact CB-CD2 4.32Å; E352-F354 HydrophobicContact CB-CE2 3.79Å; E352-F354 HydrophobicContact CB-CZ 3.96Å; E352-F354 WeakPolarHBondContact O-CD2 3.44Å; E352-F354 WeakPolarHBondContact O-CE2 3.45Å; E352-F354 PolarHBondContact O-N 2.77Å; F354-D356 VanDerWaalsContact C-N 3.33Å; F354-D356 PolarHBondContact O-N 3.27Å; F354-L408 HydrophobicContact CD1-CD2 3.89Å; F354-L408 HydrophobicContact CE1-CD2 4.26Å
355	F	63	Low	63.3	Low	27 Å²	27	84 Å²	84	12%	0.118	48%	0.477	C	S	.	.			trans	-80.9	95.2	152.6	-52.3	-77.3	0	0	0	104.9	L360 A410 L521 I524 K525	F355-L360 HydrophobicContact CD1-CD1 3.82Å; F355-L360 HydrophobicContact CD1-CD2 4.48Å; F355-L360 HydrophobicContact CE1-CD1 3.83Å; F355-L360 HydrophobicContact CG-CD1 4.38Å; F355-L360 HydrophobicContact CZ-CD1 4.38Å; F355-A410 HydrophobicContact CB-CB 4.38Å; F355-A410 HydrophobicContact CD2-CB 3.66Å; F355-A410 HydrophobicContact CE2-CB 4.07Å; F355-A410 HydrophobicContact CG-CB 4.11Å; F355-L521 HydrophobicContact CE2-CD2 4.13Å; F355-L521 HydrophobicContact CZ-CD2 4.06Å; F355-I524 HydrophobicContact CE1-CG2 4.29Å; F355-K525 HydrophobicContact CE1-CB 4.46Å; F355-K525 HydrophobicContact CE2-CD 4.47Å; F355-K525 HydrophobicContact CZ-CB 4.03Å; F355-K525 HydrophobicContact CZ-CD 4.19Å
356	D	59.2	Low	66.2	Low	136 Å²	136	75.6 Å²	75.6	73%	0.727	43%	0.434	S	S	*	.			trans	-47.3	142.2	159.3	-65.9	-34.6	0	0	0	107.6	F354 R358	F354-D356 VanDerWaalsContact C-N 3.33Å; F354-D356 PolarHBondContact O-N 3.27Å; D356-R358 WeakPolarHBondContact O-CA 3.45Å; D356-R358 WeakPolarHBondContact O-CB 3.48Å; D356-R358 PolarHBondContact O-N 2.87Å
357	D	63.9	Low	69	Low	163 Å²	163	69 Å²	69	87%	0.872	40%	0.403	S	S	*	.	S	Bend	trans	-50.5	68.2	-165.9	-69.7	-50.3	0	0	0	115.9
358	R	76.6	Confident	71.6	Confident	124 Å²	124	66.4 Å²	66.4	47%	0.468	39%	0.389	S	S	.	.			trans	-118.6	125.9	-168.7	176.8	179.2	173	-126.8	-18.7	108.6	D356 L360 D437	D356-R358 WeakPolarHBondContact O-CA 3.45Å; D356-R358 WeakPolarHBondContact O-CB 3.48Å; D356-R358 PolarHBondContact O-N 2.87Å; R358-L360 PolarHBondContact O-N 3.23Å; R358-L360 VanDerWaalsContact O-N 3.16Å; R358-D437 IonicContact CZ-OD1 2.66Å; R358-D437 VanDerWaalsContact CZ-OD1 3.27Å; R358-D437 IonicContact CZ-OD2 2.69Å; R358-D437 IonicContact NH1-OD1 3.71Å; R358-D437 PolarHBondContact NH1-OD1 2.9Å; R358-D437 IonicContact NH1-OD2 3.27Å; R358-D437 IonicContact NH2-OD1 3.48Å; R358-D437 PolarHBondContact NH2-OD1 3.12Å; R358-D437 IonicContact NH2-OD2 3.69Å; R358-D437 PolarHBondContact NH2-OD2 3.23Å
359	L	88.5	Confident	74.3	Confident	99 Å²	99	71.1 Å²	71.1	52%	0.518	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	112.6	166.8	-57.2	176.7	0	0	0	109.1	P400 S411 V413	L359-P400 HydrophobicContact CD2-CB 3.81Å; L359-P400 HydrophobicContact CD2-CG 4.29Å; L359-S411 WeakPolarHBondContact CA-O 3.43Å; L359-V413 HydrophobicContact CB-CG2 4.22Å; L359-V413 HydrophobicContact CD2-CG2 4.15Å
360	L	91.8	Very high	77.3	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.01	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	123	174.3	-65.5	174.9	0	0	0	108.7	F355 R358 A410 S411 L412 V413 D437 L521 I524	F355-L360 HydrophobicContact CD1-CD1 3.82Å; F355-L360 HydrophobicContact CD1-CD2 4.48Å; F355-L360 HydrophobicContact CE1-CD1 3.83Å; F355-L360 HydrophobicContact CG-CD1 4.38Å; F355-L360 HydrophobicContact CZ-CD1 4.38Å; R358-L360 PolarHBondContact O-N 3.23Å; R358-L360 VanDerWaalsContact O-N 3.16Å; L360-A410 HydrophobicContact CD1-CB 4.27Å; L360-S411 PolarHBondContact N-O 3.42Å; L360-L412 HydrophobicContact CB-CD2 3.99Å; L360-L412 HydrophobicContact CD1-CD2 4.32Å; L360-V413 PolarHBondContact O-N 3.26Å; L360-D437 WeakPolarHBondContact CA-OD2 3.32Å; L360-D437 HydrophobicContact CD2-CB 4.38Å; L360-L521 HydrophobicContact CD1-CD2 3.66Å; L360-I524 HydrophobicContact CB-CD1 4.47Å; L360-I524 HydrophobicContact CD1-CD1 4.27Å; L360-I524 HydrophobicContact CD1-CG2 4.39Å; L360-I524 HydrophobicContact CD2-CG2 4.36Å
361	Q	93.2	Very high	80.2	Confident	62 Å²	62	63.2 Å²	63.2	29%	0.29	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	124	-176.8	-73.9	-176.8	-12.4	0	0	111.3	M415 T435 A436 D437 A438	Q361-M415 HydrophobicContact CB-CE 4Å; Q361-M415 HydrophobicContact CG-CE 4.37Å; Q361-T435 PolarHBondContact OE1-OG1 2.73Å; Q361-A436 CarbonylContact O-C 3.6Å; Q361-D437 PolarHBondContact N-OD2 2.93Å; Q361-D437 PolarHBondContact O-N 3.23Å; Q361-A438 PolarHBondContact O-N 3.44Å; Q361-A438 VanDerWaalsContact O-N 3.12Å
362	V	95.2	Very high	83.1	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	111.5	175.7	-174.1	0	0	0	0	109.3	V364 L412 V413 F414 M415 A438 L440 I520	V362-V364 HydrophobicContact CG1-CG2 4.46Å; V362-L412 HydrophobicContact CG2-CD2 3.66Å; V362-V413 PolarHBondContact N-O 2.93Å; V362-F414 HydrophobicContact CB-CD1 3.77Å; V362-F414 HydrophobicContact CB-CE1 3.91Å; V362-F414 HydrophobicContact CG1-CD1 3.9Å; V362-F414 HydrophobicContact CG1-CE1 3.86Å; V362-F414 HydrophobicContact CG2-CD1 4.44Å; V362-F414 HydrophobicContact CG2-CE1 4.16Å; V362-F414 WeakPolarHBondContact O-CA 3.34Å; V362-M415 PolarHBondContact O-N 3.39Å; V362-A438 WeakPolarHBondContact CA-O 3.49Å; V362-A438 HydrophobicContact CG1-CB 4.3Å; V362-A438 HydrophobicContact CG2-CB 4.35Å; V362-L440 HydrophobicContact CG1-CB 4.11Å; V362-I520 HydrophobicContact CG1-CG2 4.46Å; V362-I520 HydrophobicContact CG2-CG2 3.9Å
363	Q	95.8	Very high	85.4	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	122	172.4	-160.8	179.1	8.7	0	0	109.7	I365 M415 T417 V431 A436 A438 Y439 L440	Q363-I365 HydrophobicContact CB-CD1 4.27Å; Q363-I365 HydrophobicContact CB-CG1 4.23Å; Q363-I365 HydrophobicContact CG-CD1 4.05Å; Q363-I365 HydrophobicContact CG-CG1 3.73Å; Q363-M415 CarbonylContact C-O 3.5Å; Q363-M415 WeakPolarHBondContact CA-O 3.43Å; Q363-M415 HydrophobicContact CB-CE 4.43Å; Q363-T417 PolarHBondContact NE2-OG1 3.12Å; Q363-V431 PolarHBondContact NE2-O 2.68Å; Q363-A436 HydrophobicContact CB-CB 4.17Å; Q363-A438 PolarHBondContact N-O 3.13Å; Q363-Y439 HydrophobicContact CB-CD1 4.11Å; Q363-Y439 HydrophobicContact CB-CE1 4.47Å; Q363-L440 PolarHBondContact O-N 3.28Å
364	V	97.1	Very high	87.4	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	105.3	-179.4	-175.7	0	0	0	0	108.3	V362 K372 M375 F414 M415 E416 T417 I442	V362-V364 HydrophobicContact CG1-CG2 4.46Å; V364-K372 HydrophobicContact CG1-CB 3.97Å; V364-K372 HydrophobicContact CG1-CD 4.05Å; V364-K372 HydrophobicContact CG1-CG 3.92Å; V364-K372 WeakPolarHBondContact O-CD 3.46Å; V364-M375 HydrophobicContact CB-CE 4.45Å; V364-M375 HydrophobicContact CG1-CE 3.56Å; V364-M375 HydrophobicContact CG2-CE 3.97Å; V364-F414 HydrophobicContact CG2-CB 4.28Å; V364-F414 HydrophobicContact CG2-CD1 3.7Å; V364-F414 HydrophobicContact CG2-CG 4.44Å; V364-M415 PolarHBondContact N-O 2.9Å; V364-E416 HydrophobicContact CB-CG 4.28Å; V364-T417 PolarHBondContact O-N 3.43Å; V364-I442 HydrophobicContact CG1-CD1 3.59Å; V364-I442 HydrophobicContact CG1-CG1 4.26Å
365	I	96.9	Very high	89.4	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136.6	-165.5	-59.1	171.6	0	0	0	109.8	Q363 T417 I419 I432 Y439 L440 V441 I442 V457	Q363-I365 HydrophobicContact CB-CD1 4.27Å; Q363-I365 HydrophobicContact CB-CG1 4.23Å; Q363-I365 HydrophobicContact CG-CD1 4.05Å; Q363-I365 HydrophobicContact CG-CG1 3.73Å; I365-T417 HydrophobicContact CG1-CG2 4.34Å; I365-T417 HydrophobicContact CG2-CG2 4.44Å; I365-I419 HydrophobicContact CG2-CD1 3.26Å; I365-I419 HydrophobicContact CG2-CG1 4.43Å; I365-I432 HydrophobicContact CD1-CG1 4.18Å; I365-I432 HydrophobicContact CD1-CG2 4.41Å; I365-Y439 HydrophobicContact CD1-CD1 3.71Å; I365-Y439 HydrophobicContact CD1-CG 4.49Å; I365-L440 PolarHBondContact N-O 2.93Å; I365-V441 CarbonylContact O-C 3.57Å; I365-V441 WeakPolarHBondContact O-CA 3.41Å; I365-I442 PolarHBondContact O-N 2.96Å; I365-V457 HydrophobicContact CG2-CG1 3.88Å; I365-V457 HydrophobicContact CG2-CG2 4.31Å
366	G	97.2	Very high	90.8	Very high	4 Å²	4	50.2 Å²	50.2	4%	0.041	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168	175	174.5	0	0	0	0	0	112.2	K372 T417 I419 I442	G366-K372 PolarHBondContact O-NZ 2.87Å; G366-T417 PolarHBondContact N-O 3.49Å; G366-I419 PolarHBondContact O-N 3.09Å; G366-I442 WeakPolarHBondContact CA-O 3.41Å
367	T	96.6	Very high	92.3	Very high	6 Å²	6	49.2 Å²	49.2	4%	0.037	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	164.7	-179.6	56.4	0	0	0	0	112.8	V370 K372 I419 V421 S450 T453	T367-V370 WeakPolarHBondContact O-CG2 3.22Å; T367-V370 WeakPolarHBondContact OG1-CG1 3.21Å; T367-K372 PolarHBondContact O-NZ 3.03Å; T367-I419 VanDerWaalsContact CA-O 3.26Å; T367-I419 WeakPolarHBondContact CA-O 3.4Å; T367-V421 HydrophobicContact CG2-CG2 4.08Å; T367-S450 WeakPolarHBondContact OG1-CB 3.41Å; T367-T453 HydrophobicContact CG2-CG2 3.69Å
368	A	95.1	Very high	93.5	Very high	55 Å²	55	43.8 Å²	43.8	46%	0.455	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	143.7	171.8	0	0	0	0	0	111.4	V370 D418	A368-V370 PolarHBondContact O-N 3.25Å; A368-D418 VanDerWaalsContact CA-OD1 3.27Å; A368-D418 WeakPolarHBondContact CA-OD1 3.41Å
369	R	95	Very high	94.1	Very high	227 Å²	227	38 Å²	38	86%	0.857	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	12.3	174.1	-47.1	172.9	71.5	-139.1	3.5	116.4	G371	R369-G371 PolarHBondContact O-N 2.82Å
370	V	97.4	Very high	93.9	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	19%	0.192	C	C	.	.	S	Bend	trans	-73	-11.5	168.8	-55.7	0	0	0	0	113.8	T367 A368 K372 I442 A444 N476	T367-V370 WeakPolarHBondContact O-CG2 3.22Å; T367-V370 WeakPolarHBondContact OG1-CG1 3.21Å; A368-V370 PolarHBondContact O-N 3.25Å; V370-K372 HydrophobicContact CG2-CG 3.81Å; V370-I442 HydrophobicContact CB-CG2 4.32Å; V370-I442 HydrophobicContact CG2-CB 4.09Å; V370-I442 HydrophobicContact CG2-CG2 3.84Å; V370-A444 HydrophobicContact CB-CB 4.14Å; V370-A444 HydrophobicContact CG1-CB 4.19Å; V370-N476 PolarHBondContact O-ND2 2.9Å
371	G	95.7	Very high	93	Very high	15 Å²	15	38.7 Å²	38.7	16%	0.155	20%	0.204	C	C	.	.	S	Bend	trans	97	23.5	176.8	0	0	0	0	0	115.6	R369 T373 S374 M375	R369-G371 PolarHBondContact O-N 2.82Å; G371-T373 PolarHBondContact O-N 3.12Å; G371-S374 WeakPolarHBondContact O-CB 3.37Å; G371-S374 PolarHBondContact O-N 3.27Å; G371-M375 PolarHBondContact O-N 3.24Å
372	K	96.2	Very high	91.4	Very high	6 Å²	6	38 Å²	38	3%	0.026	21%	0.205	C	C	.	.	H	α-helix	trans	-49.8	-55.9	174.1	-63.1	-171.4	-67.9	-81.3	0	111.9	V364 G366 T367 V370 S374 M375 C376 E416 T417 D418 I442	V364-K372 HydrophobicContact CG1-CB 3.97Å; V364-K372 HydrophobicContact CG1-CD 4.05Å; V364-K372 HydrophobicContact CG1-CG 3.92Å; V364-K372 WeakPolarHBondContact O-CD 3.46Å; G366-K372 PolarHBondContact O-NZ 2.87Å; T367-K372 PolarHBondContact O-NZ 3.03Å; V370-K372 HydrophobicContact CG2-CG 3.81Å; K372-S374 VanDerWaalsContact C-N 3.29Å; K372-S374 PolarHBondContact O-N 2.87Å; K372-M375 WeakPolarHBondContact O-CA 3.34Å; K372-M375 VanDerWaalsContact O-CB 3.25Å; K372-M375 WeakPolarHBondContact O-CB 3.5Å; K372-M375 PolarHBondContact O-N 2.95Å; K372-C376 PolarHBondContact O-N 3.34Å; K372-C376 PolarHBondContact O-SG 2.96Å; K372-E416 HydrophobicContact CB-CG 4.33Å; K372-E416 VanDerWaalsContact CB-OE2 3.28Å; K372-E416 WeakPolarHBondContact CB-OE2 3.47Å; K372-T417 WeakPolarHBondContact CE-O 3.37Å; K372-T417 PolarHBondContact NZ-O 2.81Å; K372-D418 IonicContact NZ-OD1 2.89Å; K372-D418 PolarHBondContact NZ-OD1 3.43Å; K372-D418 IonicContact NZ-OD2 3.99Å; K372-I442 HydrophobicContact CG-CD1 4.42Å
373	T	94	Very high	89.5	Confident	84 Å²	84	39.7 Å²	39.7	52%	0.515	21%	0.213	S	C	.	.	H	α-helix	trans	-65.4	-34	-176.9	-31.1	0	0	0	0	112.7	G371 M377 E416	G371-T373 PolarHBondContact O-N 3.12Å; T373-M377 VanDerWaalsContact O-CB 3.23Å; T373-M377 WeakPolarHBondContact O-CB 3.32Å; T373-M377 PolarHBondContact O-N 3.25Å; T373-E416 WeakPolarHBondContact CA-OE1 3.31Å; T373-E416 WeakPolarHBondContact CA-OE2 3.24Å; T373-E416 WeakPolarHBondContact CB-OE2 3.26Å; T373-E416 PolarHBondContact N-OE2 3.37Å; T373-E416 PolarHBondContact OG1-OE2 2.96Å
374	S	93.8	Very high	87.1	Confident	63 Å²	63	42.7 Å²	42.7	44%	0.441	23%	0.234	S	C	.	.	H	α-helix	trans	-63	-42	170.3	-49.3	0	0	0	0	111.5	G371 K372 Q378	G371-S374 WeakPolarHBondContact O-CB 3.37Å; G371-S374 PolarHBondContact O-N 3.27Å; K372-S374 VanDerWaalsContact C-N 3.29Å; K372-S374 PolarHBondContact O-N 2.87Å; S374-Q378 VanDerWaalsContact O-CG 3.25Å; S374-Q378 WeakPolarHBondContact O-CG 3.46Å; S374-Q378 PolarHBondContact O-N 2.64Å; S374-Q378 VanDerWaalsContact O-N 3.12Å
375	M	94.4	Very high	84.5	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.9	-50.1	176.6	-170.5	-163.8	60.7	0	0	112.3	V364 G371 K372 M377 Q378 F379 L440 I442 I505 T507 L516	V364-M375 HydrophobicContact CB-CE 4.45Å; V364-M375 HydrophobicContact CG1-CE 3.56Å; V364-M375 HydrophobicContact CG2-CE 3.97Å; G371-M375 PolarHBondContact O-N 3.24Å; K372-M375 WeakPolarHBondContact O-CA 3.34Å; K372-M375 VanDerWaalsContact O-CB 3.25Å; K372-M375 WeakPolarHBondContact O-CB 3.5Å; K372-M375 PolarHBondContact O-N 2.95Å; M375-M377 VanDerWaalsContact C-N 3.29Å; M375-M377 PolarHBondContact O-N 3.13Å; M375-Q378 PolarHBondContact O-N 3.25Å; M375-Q378 VanDerWaalsContact O-N 3.08Å; M375-F379 HydrophobicContact CE-CD2 4.32Å; M375-F379 HydrophobicContact CE-CE2 3.55Å; M375-F379 HydrophobicContact CE-CZ 4.21Å; M375-F379 HydrophobicContact CG-CD2 4.37Å; M375-F379 HydrophobicContact CG-CE1 4.33Å; M375-F379 HydrophobicContact CG-CE2 3.77Å; M375-F379 HydrophobicContact CG-CZ 3.74Å; M375-F379 PolarHBondContact O-N 2.98Å; M375-F379 HydrophobicContact SD-CE2 3.73Å; M375-F379 HydrophobicContact SD-CZ 3.75Å; M375-L440 HydrophobicContact CE-CD2 3.62Å; M375-L440 HydrophobicContact SD-CD2 3.82Å; M375-I442 HydrophobicContact CE-CD1 3.57Å; M375-I442 HydrophobicContact SD-CD1 3.5Å; M375-I442 VanDerWaalsContact SD-CD1 3.5Å; M375-I505 HydrophobicContact CG-CD1 4.47Å; M375-I505 HydrophobicContact SD-CD1 4.26Å; M375-T507 HydrophobicContact CB-CG2 3.53Å; M375-T507 HydrophobicContact CG-CG2 3.98Å; M375-L516 HydrophobicContact SD-CD2 3.79Å
376	C	92.8	Very high	82.1	Confident	5 Å²	5	53.3 Å²	53.3	3%	0.034	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-43.1	179.6	-55.6	0	0	0	0	110.6	K372 Q378 F379 H380 E416	K372-C376 PolarHBondContact O-N 3.34Å; K372-C376 PolarHBondContact O-SG 2.96Å; C376-Q378 VanDerWaalsContact C-N 3.34Å; C376-Q378 PolarHBondContact O-N 3.37Å; C376-F379 WeakPolarHBondContact O-CB 3.34Å; C376-F379 PolarHBondContact O-N 3.02Å; C376-F379 VanDerWaalsContact O-N 3.11Å; C376-H380 PolarHBondContact O-CD2 3.21Å; C376-H380 PolarHBondContact O-N 3.13Å; C376-E416 WeakPolarHBondContact CB-OE1 3.44Å; C376-E416 VanDerWaalsContact SG-CD 3.59Å; C376-E416 PolarHBondContact SG-OE1 3.49Å
377	M	90.6	Very high	79.6	Confident	115 Å²	115	59.2 Å²	59.2	57%	0.567	32%	0.317	S	S	*	.	H	α-helix	trans	-57.3	-44	173.6	-166.3	62.4	57.9	0	0	112.2	T373 M375 F379 H380 T381	T373-M377 VanDerWaalsContact O-CB 3.23Å; T373-M377 WeakPolarHBondContact O-CB 3.32Å; T373-M377 PolarHBondContact O-N 3.25Å; M375-M377 VanDerWaalsContact C-N 3.29Å; M375-M377 PolarHBondContact O-N 3.13Å; M377-F379 VanDerWaalsContact C-N 3.32Å; M377-F379 PolarHBondContact O-N 2.96Å; M377-H380 PolarHBondContact O-N 3.4Å; M377-H380 VanDerWaalsContact O-N 3.15Å; M377-T381 WeakPolarHBondContact O-CG2 3.46Å; M377-T381 PolarHBondContact O-N 3.43Å
378	Q	89.5	Confident	77.3	Confident	50 Å²	50	63.9 Å²	63.9	23%	0.234	35%	0.348	C	S	.	.	H	α-helix	trans	-63.6	-37	176.5	-62.5	-69.5	4.4	0	0	111.9	S374 M375 C376 H380 T381 T507 N510 V513	S374-Q378 VanDerWaalsContact O-CG 3.25Å; S374-Q378 WeakPolarHBondContact O-CG 3.46Å; S374-Q378 PolarHBondContact O-N 2.64Å; S374-Q378 VanDerWaalsContact O-N 3.12Å; M375-Q378 PolarHBondContact O-N 3.25Å; M375-Q378 VanDerWaalsContact O-N 3.08Å; C376-Q378 VanDerWaalsContact C-N 3.34Å; C376-Q378 PolarHBondContact O-N 3.37Å; Q378-H380 VanDerWaalsContact C-N 3.32Å; Q378-H380 PolarHBondContact O-N 3.02Å; Q378-T381 PolarHBondContact O-N 3.12Å; Q378-T381 PolarHBondContact O-OG1 2.71Å; Q378-T381 PolarHBondContact OE1-OG1 3.23Å; Q378-T507 PolarHBondContact NE2-O 3.3Å; Q378-N510 VanDerWaalsContact CD-ND2 3.31Å; Q378-N510 VanDerWaalsContact CG-OD1 3.23Å; Q378-N510 WeakPolarHBondContact CG-OD1 3.39Å; Q378-N510 PolarHBondContact NE2-OD1 3.46Å; Q378-N510 PolarHBondContact OE1-ND2 3.29Å; Q378-N510 PolarHBondContact OE1-OD1 2.69Å; Q378-V513 HydrophobicContact CB-CG1 4.1Å
379	F	89.1	Confident	75.2	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.009	36%	0.359	C	S	.	.	H	α-helix	trans	-63.9	-31.9	173	-62.8	-32.7	0	0	0	113.4	M375 C376 M377 S382 V401 F414 V513 L516 L517 I520	M375-F379 HydrophobicContact CE-CD2 4.32Å; M375-F379 HydrophobicContact CE-CE2 3.55Å; M375-F379 HydrophobicContact CE-CZ 4.21Å; M375-F379 HydrophobicContact CG-CD2 4.37Å; M375-F379 HydrophobicContact CG-CE1 4.33Å; M375-F379 HydrophobicContact CG-CE2 3.77Å; M375-F379 HydrophobicContact CG-CZ 3.74Å; M375-F379 PolarHBondContact O-N 2.98Å; M375-F379 HydrophobicContact SD-CE2 3.73Å; M375-F379 HydrophobicContact SD-CZ 3.75Å; C376-F379 WeakPolarHBondContact O-CB 3.34Å; C376-F379 PolarHBondContact O-N 3.02Å; C376-F379 VanDerWaalsContact O-N 3.11Å; M377-F379 VanDerWaalsContact C-N 3.32Å; M377-F379 PolarHBondContact O-N 2.96Å; F379-S382 PolarHBondContact O-OG 2.97Å; F379-S382 VanDerWaalsContact O-OG 3.05Å; F379-V401 HydrophobicContact CB-CG1 4.39Å; F379-V401 HydrophobicContact CB-CG2 4.11Å; F379-V401 WeakPolarHBondContact O-CG1 3.29Å; F379-F414 HydrophobicContact CB-CE2 4.02Å; F379-F414 HydrophobicContact CD2-CD1 4.23Å; F379-F414 HydrophobicContact CD2-CD2 4.05Å; F379-F414 AromaticContact CD2-CE1 3.7Å; F379-F414 HydrophobicContact CD2-CE1 3.7Å; F379-F414 AromaticContact CD2-CE2 3.5Å; F379-F414 HydrophobicContact CD2-CE2 3.5Å; F379-F414 VanDerWaalsContact CD2-CE2 3.5Å; F379-F414 HydrophobicContact CD2-CG 4.39Å; F379-F414 AromaticContact CD2-CZ 3.3Å; F379-F414 HydrophobicContact CD2-CZ 3.3Å; F379-F414 HydrophobicContact CE2-CD1 4.3Å; F379-F414 AromaticContact CE2-CE1 3.59Å; F379-F414 HydrophobicContact CE2-CE1 3.59Å; F379-F414 HydrophobicContact CE2-CE2 4.22Å; F379-F414 AromaticContact CE2-CZ 3.55Å; F379-F414 HydrophobicContact CE2-CZ 3.55Å; F379-F414 HydrophobicContact CG-CE2 4.07Å; F379-F414 HydrophobicContact CG-CZ 4.1Å; F379-V513 HydrophobicContact CD1-CG1 3.72Å; F379-V513 HydrophobicContact CE1-CG1 3.46Å; F379-V513 VanDerWaalsContact CE1-CG1 3.46Å; F379-V513 HydrophobicContact CZ-CG1 4.45Å; F379-L516 HydrophobicContact CZ-CD2 4.26Å; F379-L516 HydrophobicContact CZ-CG 4.31Å; F379-L517 HydrophobicContact CD1-CB 4.14Å; F379-L517 HydrophobicContact CD1-CD1 3.99Å; F379-L517 HydrophobicContact CD1-CD2 4.17Å; F379-L517 HydrophobicContact CD1-CG 4.33Å; F379-L517 HydrophobicContact CD2-CD1 4.49Å; F379-L517 HydrophobicContact CE1-CB 3.82Å; F379-L517 HydrophobicContact CE1-CD1 4.15Å; F379-L517 HydrophobicContact CE1-CG 4.43Å; F379-L517 HydrophobicContact CG-CD1 4.17Å; F379-L517 HydrophobicContact CZ-CD1 4.46Å; F379-I520 HydrophobicContact CE2-CD1 4.49Å; F379-I520 HydrophobicContact CZ-CD1 4.35Å
380	H	84	Confident	73.1	Confident	75 Å²	75	63 Å²	63	35%	0.347	35%	0.353	S	S	.	.	H	α-helix	trans	-77.2	-26.5	172.9	-63.7	-65	0	0	0	113.1	C376 M377 Q378 S382 N399 V401	C376-H380 PolarHBondContact O-CD2 3.21Å; C376-H380 PolarHBondContact O-N 3.13Å; M377-H380 PolarHBondContact O-N 3.4Å; M377-H380 VanDerWaalsContact O-N 3.15Å; Q378-H380 VanDerWaalsContact C-N 3.32Å; Q378-H380 PolarHBondContact O-N 3.02Å; H380-S382 VanDerWaalsContact C-N 3.28Å; H380-S382 PolarHBondContact O-N 2.77Å; H380-N399 PolarHBondContact CE1-O 3.26Å; H380-N399 VanDerWaalsContact CE1-O 3.27Å; H380-V401 WeakPolarHBondContact ND1-CG2 3.48Å
381	T	72.8	Confident	70.6	Confident	41 Å²	41	67.8 Å²	67.8	25%	0.252	39%	0.386	S	S	.	.	H	α-helix	trans	-73.6	-11.5	-178.3	61.1	0	0	0	0	115.5	R229 M377 Q378	R229-T381 PolarHBondContact NE-O 2.92Å; R229-T381 PolarHBondContact NH2-O 3.04Å; M377-T381 WeakPolarHBondContact O-CG2 3.46Å; M377-T381 PolarHBondContact O-N 3.43Å; Q378-T381 PolarHBondContact O-N 3.12Å; Q378-T381 PolarHBondContact O-OG1 2.71Å; Q378-T381 PolarHBondContact OE1-OG1 3.23Å
382	S	60.4	Low	68.2	Low	46 Å²	46	73 Å²	73	32%	0.322	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-9.3	-178.7	54	0	0	0	0	114.3	F227 F379 H380	F227-S382 WeakPolarHBondContact CE2-O 3.45Å; F379-S382 PolarHBondContact O-OG 2.97Å; F379-S382 VanDerWaalsContact O-OG 3.05Å; H380-S382 VanDerWaalsContact C-N 3.28Å; H380-S382 PolarHBondContact O-N 2.77Å
383	E	55.9	Low	65.8	Low	36 Å²	36	80.1 Å²	80.1	17%	0.168	44%	0.442	C	S	.	.			trans	-100.4	167.1	-166.4	-141.8	-147.5	114.7	0	0	115.8	V401 R402	E383-V401 VanDerWaalsContact OE2-CA 3.22Å; E383-V401 WeakPolarHBondContact OE2-CA 3.32Å; E383-R402 VanDerWaalsContact CD-N 3.31Å; E383-R402 HydrophobicContact CG-CB 4.17Å; E383-R402 WeakPolarHBondContact OE1-CB 3.24Å; E383-R402 WeakPolarHBondContact OE1-CD 2.87Å; E383-R402 WeakPolarHBondContact OE1-CG 3.23Å; E383-R402 PolarHBondContact OE2-N 2.78Å
384	S	44.1	Very low	63	Low	65 Å²	65	80.4 Å²	80.4	46%	0.455	46%	0.462	S	S	.	.			trans	35.7	94.3	157.4	30.5	0	0	0	0	118	E386	S384-E386 PolarHBondContact O-N 2.83Å; S384-E386 VanDerWaalsContact O-N 3.12Å
385	I	42.9	Very low	60.5	Low	133 Å²	133	83 Å²	83	68%	0.682	47%	0.47	S	S	*	.			trans	-75.3	80.5	139.8	-54.6	167	0	0	0	106	F227 K238	F227-I385 HydrophobicContact CE1-CD1 4.47Å; K238-I385 VanDerWaalsContact NZ-CD1 3.3Å
386	E	47.5	Very low	58.2	Low	90 Å²	90	92.8 Å²	92.8	42%	0.421	52%	0.516	S	S	.	.			trans	-109.6	156	170.1	-72.6	178.3	-153.2	0	0	109.3	S384 R402	S384-E386 PolarHBondContact O-N 2.83Å; S384-E386 VanDerWaalsContact O-N 3.12Å; E386-R402 IonicContact OE1-CZ 2.75Å; E386-R402 IonicContact OE1-NH1 3.98Å; E386-R402 PolarHBondContact OE1-NH1 3.01Å; E386-R402 IonicContact OE2-CZ 3.19Å; E386-R402 IonicContact OE2-NH1 3.71Å; E386-R402 PolarHBondContact OE2-NH1 3.03Å; E386-R402 IonicContact OE2-NH2 2.8Å
387	D	42.9	Very low	56.2	Low	127 Å²	127	98.5 Å²	98.5	68%	0.679	54%	0.543	S	S	*	.			trans	-65.2	140.8	-159.9	-75.5	-61.4	0	0	0	112.5	N389 D390	D387-N389 PolarHBondContact O-N 3.32Å; D387-D390 PolarHBondContact O-N 3.05Å; D387-D390 VanDerWaalsContact O-N 3.11Å
388	P	49.5	Very low	54.9	Low	104 Å²	104	98.7 Å²	98.7	68%	0.675	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-61.6	-8	-175	24.4	-34.7	0	0	0	114.6	S391	P388-S391 PolarHBondContact O-OG 3.34Å
389	N	49.8	Very low	54.3	Low	128 Å²	128	102 Å²	102	68%	0.684	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-79.5	-19.5	177.5	-66.9	-20.7	0	0	0	114.3	D387 S391	D387-N389 PolarHBondContact O-N 3.32Å; N389-S391 PolarHBondContact O-N 3.2Å
390	D	52.7	Low	54.2	Low	136 Å²	136	103.6 Å²	103.6	73%	0.727	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-78.5	-0.8	178.5	-90.9	7	0	0	0	113.1	D387 I392	D387-D390 PolarHBondContact O-N 3.05Å; D387-D390 VanDerWaalsContact O-N 3.11Å; D390-I392 PolarHBondContact O-N 3.05Å; D390-I392 VanDerWaalsContact O-N 3.16Å
391	S	44.1	Very low	54.3	Low	102 Å²	102	100 Å²	100	71%	0.713	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-78.1	11.7	-177.9	63.9	0	0	0	0	115.6	P388 N389	P388-S391 PolarHBondContact O-OG 3.34Å; N389-S391 PolarHBondContact O-N 3.2Å
392	I	44.9	Very low	55	Low	126 Å²	126	104 Å²	104	65%	0.646	57%	0.569	S	S	*	*			trans	-111.8	42.6	-166	-37.2	179	0	0	0	113.6	D390	D390-I392 PolarHBondContact O-N 3.05Å; D390-I392 VanDerWaalsContact O-N 3.16Å
393	H	45.7	Very low	56.2	Low	155 Å²	155	102.8 Å²	102.8	72%	0.718	56%	0.56	S	S	*	*			trans	-134.8	94.8	159.9	-84.2	-68.1	0	0	0	110.9	D395	H393-D395 PolarHBondContact O-N 3.44Å
394	G	35.9	Very low	57.6	Low	90 Å²	90	106.4 Å²	106.4	93%	0.928	58%	0.576	S	S	*	*			trans	-79.6	48.8	-175.7	0	0	0	0	0	114.9
395	D	41.6	Very low	59.3	Low	116 Å²	116	104.5 Å²	104.5	62%	0.62	56%	0.561	S	S	*	*	S	Bend	trans	-101.1	162.6	165	-72.2	-49.6	0	0	0	109.5	H393 Q397	H393-D395 PolarHBondContact O-N 3.44Å; D395-Q397 HydrophobicContact CB-CG 3.92Å; D395-Q397 PolarHBondContact O-N 3.06Å
396	E	45.9	Very low	61.1	Low	206 Å²	206	102.7 Å²	102.7	96%	0.963	55%	0.553	S	S	*	*			trans	-76.2	48.3	-176.8	-158.3	166	-143	0	0	112.3
397	Q	50.9	Low	62.5	Low	126 Å²	126	105 Å²	105	59%	0.589	57%	0.568	S	S	*	*			trans	-76.7	141.7	-169.2	-67.4	-170.8	10.2	0	0	113	D395 N399	D395-Q397 HydrophobicContact CB-CG 3.92Å; D395-Q397 PolarHBondContact O-N 3.06Å; Q397-N399 VanDerWaalsContact C-N 3.35Å; Q397-N399 PolarHBondContact O-N 3.15Å
398	L	63	Low	64.1	Low	118 Å²	118	100 Å²	100	62%	0.618	54%	0.541	S	S	*	.			trans	-71.1	83.5	-178.7	-65.6	162.5	0	0	0	110.5	P400 V413	L398-P400 VanDerWaalsContact O-CD 3.24Å; L398-P400 WeakPolarHBondContact O-CD 3.32Å; L398-V413 HydrophobicContact CB-CG1 3.87Å; L398-V413 HydrophobicContact CD1-CG1 4.07Å; L398-V413 HydrophobicContact CD2-CG1 4.13Å; L398-V413 HydrophobicContact CG-CG1 4.25Å
399	N	77.2	Confident	65.7	Low	121 Å²	121	101 Å²	101	65%	0.647	54%	0.535	S	S	*	.			trans	-51.9	111.8	174.3	-75.1	-14.6	0	0	0	110	H380 Q397	H380-N399 PolarHBondContact CE1-O 3.26Å; H380-N399 VanDerWaalsContact CE1-O 3.27Å; Q397-N399 VanDerWaalsContact C-N 3.35Å; Q397-N399 PolarHBondContact O-N 3.15Å
400	P	85.6	Confident	67.5	Low	35 Å²	35	95.1 Å²	95.1	23%	0.227	50%	0.504	C	S	.	.			trans	-75.9	140.4	-179.3	31.3	-33.2	0	0	0	110	L359 L398 R402 L412 V413	L359-P400 HydrophobicContact CD2-CB 3.81Å; L359-P400 HydrophobicContact CD2-CG 4.29Å; L398-P400 VanDerWaalsContact O-CD 3.24Å; L398-P400 WeakPolarHBondContact O-CD 3.32Å; P400-R402 PolarHBondContact O-N 2.86Å; P400-L412 CarbonylContact C-O 3.53Å; P400-L412 WeakPolarHBondContact CA-O 3.3Å; P400-V413 HydrophobicContact CB-CG2 4.13Å
401	V	87.9	Confident	69.3	Low	0 Å²	0	89.8 Å²	89.8	0%	0	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	107.9	169.9	178.3	0	0	0	0	109.1	F379 H380 E383 V403 L412 F414 L517	F379-V401 HydrophobicContact CB-CG1 4.39Å; F379-V401 HydrophobicContact CB-CG2 4.11Å; F379-V401 WeakPolarHBondContact O-CG1 3.29Å; H380-V401 WeakPolarHBondContact ND1-CG2 3.48Å; E383-V401 VanDerWaalsContact OE2-CA 3.22Å; E383-V401 WeakPolarHBondContact OE2-CA 3.32Å; V401-V403 HydrophobicContact CG1-CG2 4.07Å; V401-L412 HydrophobicContact CB-CB 4.43Å; V401-L412 PolarHBondContact N-O 3.47Å; V401-L412 PolarHBondContact O-N 3.08Å; V401-F414 HydrophobicContact CB-CD2 4.46Å; V401-F414 HydrophobicContact CB-CE2 3.9Å; V401-F414 HydrophobicContact CG1-CE2 4.46Å; V401-F414 HydrophobicContact CG2-CD2 3.94Å; V401-F414 HydrophobicContact CG2-CE2 3.74Å; V401-L517 HydrophobicContact CG1-CD1 4.36Å; V401-L517 HydrophobicContact CG1-CD2 4.29Å
402	R	87.3	Confident	71.6	Confident	124 Å²	124	84.9 Å²	84.9	47%	0.468	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	129.4	176.1	-56.1	-179.6	-178.7	164.4	9	110.6	E383 E386 P400 A410	E383-R402 VanDerWaalsContact CD-N 3.31Å; E383-R402 HydrophobicContact CG-CB 4.17Å; E383-R402 WeakPolarHBondContact OE1-CB 3.24Å; E383-R402 WeakPolarHBondContact OE1-CD 2.87Å; E383-R402 WeakPolarHBondContact OE1-CG 3.23Å; E383-R402 PolarHBondContact OE2-N 2.78Å; E386-R402 IonicContact OE1-CZ 2.75Å; E386-R402 IonicContact OE1-NH1 3.98Å; E386-R402 PolarHBondContact OE1-NH1 3.01Å; E386-R402 IonicContact OE2-CZ 3.19Å; E386-R402 IonicContact OE2-NH1 3.71Å; E386-R402 PolarHBondContact OE2-NH1 3.03Å; E386-R402 IonicContact OE2-NH2 2.8Å; P400-R402 PolarHBondContact O-N 2.86Å; R402-A410 CarbonylContact C-O 3.56Å; R402-A410 WeakPolarHBondContact CA-O 3.46Å
403	V	85.7	Confident	73.8	Confident	21 Å²	21	79.2 Å²	79.2	13%	0.127	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.4	-179.3	-163.6	0	0	0	0	109.2	V401 I405 K409 A410 L412 L517 L521	V401-V403 HydrophobicContact CG1-CG2 4.07Å; V403-I405 HydrophobicContact CG1-CD1 4.06Å; V403-I405 HydrophobicContact CG1-CG1 3.98Å; V403-K409 CarbonylContact O-C 3.52Å; V403-K409 WeakPolarHBondContact O-CA 3.4Å; V403-A410 PolarHBondContact N-O 3.25Å; V403-A410 PolarHBondContact O-N 3.43Å; V403-L412 HydrophobicContact CG2-CD1 3.87Å; V403-L517 HydrophobicContact CG1-CD2 4.47Å; V403-L517 HydrophobicContact CG1-CG 4.47Å; V403-L517 HydrophobicContact CG2-CD1 4.07Å; V403-L517 HydrophobicContact CG2-CD2 3.88Å; V403-L517 HydrophobicContact CG2-CG 3.9Å; V403-L521 HydrophobicContact CB-CD1 3.65Å; V403-L521 HydrophobicContact CG1-CD1 3.9Å; V403-L521 HydrophobicContact CG2-CD1 4.01Å
404	E	83.9	Confident	76.1	Confident	111 Å²	111	72.8 Å²	72.8	52%	0.519	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119	176.6	-175.2	162.3	-160.4	0	0	110	L408 K409	E404-L408 WeakPolarHBondContact CA-O 3.42Å; E404-K409 HydrophobicContact CB-CG 4.19Å; E404-K409 HydrophobicContact CG-CG 3.96Å; E404-K409 WeakPolarHBondContact OE1-CE 3.14Å; E404-K409 IonicContact OE1-NZ 2.71Å; E404-K409 WeakPolarHBondContact OE2-CE 3.39Å; E404-K409 IonicContact OE2-NZ 2.7Å
405	I	81	Confident	78.9	Confident	26 Å²	26	70.5 Å²	70.5	13%	0.133	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	116.2	-177	-56.1	166.1	0	0	0	108	L222 V403 N407 L408 V518 L521	L222-I405 HydrophobicContact CD2-CG2 4.36Å; V403-I405 HydrophobicContact CG1-CD1 4.06Å; V403-I405 HydrophobicContact CG1-CG1 3.98Å; I405-N407 VanDerWaalsContact C-N 3.32Å; I405-N407 PolarHBondContact O-N 3.39Å; I405-L408 PolarHBondContact N-O 2.9Å; I405-L408 WeakPolarHBondContact O-CB 3.38Å; I405-L408 PolarHBondContact O-N 3.5Å; I405-V518 HydrophobicContact CD1-CB 4.22Å; I405-V518 HydrophobicContact CD1-CG1 4.14Å; I405-V518 HydrophobicContact CD1-CG2 4.03Å; I405-V518 HydrophobicContact CG1-CG2 4.37Å; I405-L521 HydrophobicContact CD1-CB 4.04Å; I405-L521 HydrophobicContact CD1-CD1 3.63Å; I405-L521 HydrophobicContact CD1-CG 4.48Å
406	N	80.4	Confident	81.4	Confident	94 Å²	94	68.3 Å²	68.3	50%	0.503	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	49.2	-178.5	-58.8	-16.2	0	0	0	112.4	L222 L408	L222-N406 WeakPolarHBondContact CD2-OD1 3.44Å; N406-L408 PolarHBondContact O-N 3.11Å; N406-L408 VanDerWaalsContact O-N 3.08Å
407	N	75.9	Confident	83.7	Confident	138 Å²	138	59 Å²	59	74%	0.738	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	2.4	-174.6	-49	-20.4	0	0	0	115.6	I405	I405-N407 VanDerWaalsContact C-N 3.32Å; I405-N407 PolarHBondContact O-N 3.39Å
408	L	76.3	Confident	85.7	Confident	24 Å²	24	57.6 Å²	57.6	13%	0.126	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	110	173.1	-54.9	160.6	0	0	0	108.6	F354 E404 I405 N406	F354-L408 HydrophobicContact CD1-CD2 3.89Å; F354-L408 HydrophobicContact CE1-CD2 4.26Å; E404-L408 WeakPolarHBondContact CA-O 3.42Å; I405-L408 PolarHBondContact N-O 2.9Å; I405-L408 WeakPolarHBondContact O-CB 3.38Å; I405-L408 PolarHBondContact O-N 3.5Å; N406-L408 PolarHBondContact O-N 3.11Å; N406-L408 VanDerWaalsContact O-N 3.08Å
409	K	84.4	Confident	87.1	Confident	124 Å²	124	52 Å²	52	54%	0.539	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	142.5	170.5	-65.4	-178.8	175.9	-175.6	0	109.7	V403 E404	V403-K409 CarbonylContact O-C 3.52Å; V403-K409 WeakPolarHBondContact O-CA 3.4Å; E404-K409 HydrophobicContact CB-CG 4.19Å; E404-K409 HydrophobicContact CG-CG 3.96Å; E404-K409 WeakPolarHBondContact OE1-CE 3.14Å; E404-K409 IonicContact OE1-NZ 2.71Å; E404-K409 WeakPolarHBondContact OE2-CE 3.39Å; E404-K409 IonicContact OE2-NZ 2.7Å
410	A	86.9	Confident	87.7	Confident	5 Å²	5	51.2 Å²	51.2	4%	0.041	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	145.8	174.3	0	0	0	0	0	109.7	F355 L360 R402 V403 L521	F355-A410 HydrophobicContact CB-CB 4.38Å; F355-A410 HydrophobicContact CD2-CB 3.66Å; F355-A410 HydrophobicContact CE2-CB 4.07Å; F355-A410 HydrophobicContact CG-CB 4.11Å; L360-A410 HydrophobicContact CD1-CB 4.27Å; R402-A410 CarbonylContact C-O 3.56Å; R402-A410 WeakPolarHBondContact CA-O 3.46Å; V403-A410 PolarHBondContact N-O 3.25Å; V403-A410 PolarHBondContact O-N 3.43Å; A410-L521 HydrophobicContact CB-CD1 4.12Å; A410-L521 HydrophobicContact CB-CD2 3.44Å; A410-L521 VanDerWaalsContact CB-CD2 3.44Å; A410-L521 HydrophobicContact CB-CG 4.45Å
411	S	90.7	Very high	87.8	Confident	23 Å²	23	53.9 Å²	53.9	16%	0.161	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.8	175.5	-67.1	0	0	0	0	109.5	L359 L360	L359-S411 WeakPolarHBondContact CA-O 3.43Å; L360-S411 PolarHBondContact N-O 3.42Å
412	L	92.4	Very high	87.9	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.9	-178.1	-67.9	162.6	0	0	0	110.6	L360 V362 P400 V401 V403 F414 L517 I520 L521 I524	L360-L412 HydrophobicContact CB-CD2 3.99Å; L360-L412 HydrophobicContact CD1-CD2 4.32Å; V362-L412 HydrophobicContact CG2-CD2 3.66Å; P400-L412 CarbonylContact C-O 3.53Å; P400-L412 WeakPolarHBondContact CA-O 3.3Å; V401-L412 HydrophobicContact CB-CB 4.43Å; V401-L412 PolarHBondContact N-O 3.47Å; V401-L412 PolarHBondContact O-N 3.08Å; V403-L412 HydrophobicContact CG2-CD1 3.87Å; L412-F414 HydrophobicContact CB-CE2 4.01Å; L412-F414 HydrophobicContact CB-CZ 4.15Å; L412-F414 HydrophobicContact CD1-CZ 4.12Å; L412-L517 HydrophobicContact CD1-CD1 3.53Å; L412-I520 HydrophobicContact CD2-CG2 4.28Å; L412-L521 HydrophobicContact CD1-CD1 3.99Å; L412-L521 HydrophobicContact CD1-CD2 4.26Å; L412-L521 HydrophobicContact CD1-CG 4.01Å; L412-L521 HydrophobicContact CD2-CD2 3.81Å; L412-L521 HydrophobicContact CD2-CG 4.28Å; L412-L521 HydrophobicContact CG-CD2 4.13Å; L412-L521 HydrophobicContact CG-CG 4.43Å; L412-I524 HydrophobicContact CD2-CD1 4.25Å
413	V	92.4	Very high	88	Confident	7 Å²	7	57.8 Å²	57.8	4%	0.042	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	117.6	170.6	173.4	0	0	0	0	108.8	L359 L360 V362 L398 P400 M415	L359-V413 HydrophobicContact CB-CG2 4.22Å; L359-V413 HydrophobicContact CD2-CG2 4.15Å; L360-V413 PolarHBondContact O-N 3.26Å; V362-V413 PolarHBondContact N-O 2.93Å; L398-V413 HydrophobicContact CB-CG1 3.87Å; L398-V413 HydrophobicContact CD1-CG1 4.07Å; L398-V413 HydrophobicContact CD2-CG1 4.13Å; L398-V413 HydrophobicContact CG-CG1 4.25Å; P400-V413 HydrophobicContact CB-CG2 4.13Å; V413-M415 HydrophobicContact CG1-CG 4.5Å
414	F	93.7	Very high	88.2	Confident	20 Å²	20	60 Å²	60	9%	0.088	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	127.6	178.6	-65.6	-76.7	0	0	0	110.7	V362 V364 F379 V401 L412 L517 I520	V362-F414 HydrophobicContact CB-CD1 3.77Å; V362-F414 HydrophobicContact CB-CE1 3.91Å; V362-F414 HydrophobicContact CG1-CD1 3.9Å; V362-F414 HydrophobicContact CG1-CE1 3.86Å; V362-F414 HydrophobicContact CG2-CD1 4.44Å; V362-F414 HydrophobicContact CG2-CE1 4.16Å; V362-F414 WeakPolarHBondContact O-CA 3.34Å; V364-F414 HydrophobicContact CG2-CB 4.28Å; V364-F414 HydrophobicContact CG2-CD1 3.7Å; V364-F414 HydrophobicContact CG2-CG 4.44Å; F379-F414 HydrophobicContact CB-CE2 4.02Å; F379-F414 HydrophobicContact CD2-CD1 4.23Å; F379-F414 HydrophobicContact CD2-CD2 4.05Å; F379-F414 AromaticContact CD2-CE1 3.7Å; F379-F414 HydrophobicContact CD2-CE1 3.7Å; F379-F414 AromaticContact CD2-CE2 3.5Å; F379-F414 HydrophobicContact CD2-CE2 3.5Å; F379-F414 VanDerWaalsContact CD2-CE2 3.5Å; F379-F414 HydrophobicContact CD2-CG 4.39Å; F379-F414 AromaticContact CD2-CZ 3.3Å; F379-F414 HydrophobicContact CD2-CZ 3.3Å; F379-F414 HydrophobicContact CE2-CD1 4.3Å; F379-F414 AromaticContact CE2-CE1 3.59Å; F379-F414 HydrophobicContact CE2-CE1 3.59Å; F379-F414 HydrophobicContact CE2-CE2 4.22Å; F379-F414 AromaticContact CE2-CZ 3.55Å; F379-F414 HydrophobicContact CE2-CZ 3.55Å; F379-F414 HydrophobicContact CG-CE2 4.07Å; F379-F414 HydrophobicContact CG-CZ 4.1Å; V401-F414 HydrophobicContact CB-CD2 4.46Å; V401-F414 HydrophobicContact CB-CE2 3.9Å; V401-F414 HydrophobicContact CG1-CE2 4.46Å; V401-F414 HydrophobicContact CG2-CD2 3.94Å; V401-F414 HydrophobicContact CG2-CE2 3.74Å; L412-F414 HydrophobicContact CB-CE2 4.01Å; L412-F414 HydrophobicContact CB-CZ 4.15Å; L412-F414 HydrophobicContact CD1-CZ 4.12Å; F414-L517 HydrophobicContact CE2-CD1 4.33Å; F414-L517 HydrophobicContact CZ-CD1 3.83Å; F414-I520 HydrophobicContact CE1-CD1 4.18Å
415	M	93.2	Very high	88.4	Confident	41 Å²	41	59.1 Å²	59.1	20%	0.202	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	108	176.3	-59.7	-178	-58.4	0	0	108.4	Q361 V362 Q363 V364 V413 V433	Q361-M415 HydrophobicContact CB-CE 4Å; Q361-M415 HydrophobicContact CG-CE 4.37Å; V362-M415 PolarHBondContact O-N 3.39Å; Q363-M415 CarbonylContact C-O 3.5Å; Q363-M415 WeakPolarHBondContact CA-O 3.43Å; Q363-M415 HydrophobicContact CB-CE 4.43Å; V364-M415 PolarHBondContact N-O 2.9Å; V413-M415 HydrophobicContact CG1-CG 4.5Å; M415-V433 HydrophobicContact CE-CB 4.29Å; M415-V433 HydrophobicContact CE-CG1 4.08Å
416	E	94.3	Very high	88.8	Confident	70 Å²	70	63.7 Å²	63.7	33%	0.327	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	149.5	-179.4	-75.6	-174.7	-127.5	0	0	112.9	V364 K372 T373 C376	V364-E416 HydrophobicContact CB-CG 4.28Å; K372-E416 HydrophobicContact CB-CG 4.33Å; K372-E416 VanDerWaalsContact CB-OE2 3.28Å; K372-E416 WeakPolarHBondContact CB-OE2 3.47Å; T373-E416 WeakPolarHBondContact CA-OE1 3.31Å; T373-E416 WeakPolarHBondContact CA-OE2 3.24Å; T373-E416 WeakPolarHBondContact CB-OE2 3.26Å; T373-E416 PolarHBondContact N-OE2 3.37Å; T373-E416 PolarHBondContact OG1-OE2 2.96Å; C376-E416 WeakPolarHBondContact CB-OE1 3.44Å; C376-E416 VanDerWaalsContact SG-CD 3.59Å; C376-E416 PolarHBondContact SG-OE1 3.49Å
417	T	93.7	Very high	89.3	Confident	11 Å²	11	63.8 Å²	63.8	7%	0.067	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	105.1	-177	-67.4	0	0	0	0	109.5	Q363 V364 I365 G366 K372 I419 V431	Q363-T417 PolarHBondContact NE2-OG1 3.12Å; V364-T417 PolarHBondContact O-N 3.43Å; I365-T417 HydrophobicContact CG1-CG2 4.34Å; I365-T417 HydrophobicContact CG2-CG2 4.44Å; G366-T417 PolarHBondContact N-O 3.49Å; K372-T417 WeakPolarHBondContact CE-O 3.37Å; K372-T417 PolarHBondContact NZ-O 2.81Å; T417-I419 HydrophobicContact CG2-CD1 4.41Å; T417-I419 HydrophobicContact CG2-CG1 4.26Å; T417-V431 HydrophobicContact CG2-CB 4.39Å; T417-V431 HydrophobicContact CG2-CG1 3.58Å
418	D	93.2	Very high	89.9	Confident	96 Å²	96	57.4 Å²	57.4	51%	0.513	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	144.6	165.8	-83.2	-62.2	0	0	0	111.1	A368 K372	A368-D418 VanDerWaalsContact CA-OD1 3.27Å; A368-D418 WeakPolarHBondContact CA-OD1 3.41Å; K372-D418 IonicContact NZ-OD1 2.89Å; K372-D418 PolarHBondContact NZ-OD1 3.43Å; K372-D418 IonicContact NZ-OD2 3.99Å
419	I	93.2	Very high	90.4	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	145.6	-179.9	-77.9	172.1	0	0	0	107	I365 G366 T367 T417 D423 L428 T453 V457	I365-I419 HydrophobicContact CG2-CD1 3.26Å; I365-I419 HydrophobicContact CG2-CG1 4.43Å; G366-I419 PolarHBondContact O-N 3.09Å; T367-I419 VanDerWaalsContact CA-O 3.26Å; T367-I419 WeakPolarHBondContact CA-O 3.4Å; T417-I419 HydrophobicContact CG2-CD1 4.41Å; T417-I419 HydrophobicContact CG2-CG1 4.26Å; I419-D423 WeakPolarHBondContact CA-OD2 3.21Å; I419-D423 HydrophobicContact CG2-CB 4.47Å; I419-D423 WeakPolarHBondContact CG2-OD2 3.39Å; I419-L428 HydrophobicContact CB-CD2 4.47Å; I419-L428 HydrophobicContact CD1-CD2 3.56Å; I419-L428 HydrophobicContact CG1-CD2 3.91Å; I419-L428 HydrophobicContact CG2-CD2 3.71Å; I419-T453 HydrophobicContact CG2-CG2 3.48Å; I419-T453 VanDerWaalsContact CG2-CG2 3.48Å; I419-V457 HydrophobicContact CD1-CG2 3.8Å
420	N	90.6	Very high	90.6	Very high	104 Å²	104	57.6 Å²	57.6	56%	0.556	31%	0.311	S	S	*	.			trans	-94.5	160.3	171.4	-43.4	-75.9	0	0	0	110.8	E422 D423	N420-E422 PolarHBondContact O-N 3.18Å; N420-D423 WeakPolarHBondContact CB-OD1 3.41Å; N420-D423 VanDerWaalsContact N-CG 3.33Å; N420-D423 PolarHBondContact N-OD2 2.94Å; N420-D423 PolarHBondContact ND2-OD1 2.88Å; N420-D423 PolarHBondContact O-N 3.27Å
421	V	86.8	Confident	90.8	Very high	91 Å²	91	60.6 Å²	60.6	55%	0.552	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.9	177.7	-178.7	0	0	0	0	111.7	T367	T367-V421 HydrophobicContact CG2-CG2 4.08Å
422	E	89.7	Confident	90.8	Very high	180 Å²	180	59.7 Å²	59.7	84%	0.841	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-12.4	-174.8	-60.7	-179.4	-179.8	0	0	114	N420 T424	N420-E422 PolarHBondContact O-N 3.18Å; E422-T424 PolarHBondContact O-N 2.92Å
423	D	89.5	Confident	90.6	Very high	25 Å²	25	62.3 Å²	62.3	13%	0.134	34%	0.338	C	S	.	.			trans	-52.8	128.5	-174.5	-68.6	-7.1	0	0	0	112	I419 N420 E427 L428 K456	I419-D423 WeakPolarHBondContact CA-OD2 3.21Å; I419-D423 HydrophobicContact CG2-CB 4.47Å; I419-D423 WeakPolarHBondContact CG2-OD2 3.39Å; N420-D423 WeakPolarHBondContact CB-OD1 3.41Å; N420-D423 VanDerWaalsContact N-CG 3.33Å; N420-D423 PolarHBondContact N-OD2 2.94Å; N420-D423 PolarHBondContact ND2-OD1 2.88Å; N420-D423 PolarHBondContact O-N 3.27Å; D423-E427 HydrophobicContact CB-CB 4.42Å; D423-L428 HydrophobicContact CB-CD2 4.07Å; D423-L428 HydrophobicContact CB-CG 4.13Å; D423-K456 PolarHBondContact O-NZ 2.83Å
424	T	90.3	Very high	90.2	Very high	69 Å²	69	67.4 Å²	67.4	42%	0.423	37%	0.365	S	S	.	.			trans	-68.4	163.8	177.7	63.3	0	0	0	0	112	E422 D426 E427 L428	E422-T424 PolarHBondContact O-N 2.92Å; T424-D426 PolarHBondContact O-N 2.85Å; T424-E427 VanDerWaalsContact CB-OE2 3.26Å; T424-E427 WeakPolarHBondContact CB-OE2 3.4Å; T424-E427 WeakPolarHBondContact CG2-OE2 3.43Å; T424-E427 PolarHBondContact N-OE2 2.83Å; T424-E427 PolarHBondContact O-N 2.97Å; T424-E427 VanDerWaalsContact OG1-CD 3.27Å; T424-E427 WeakPolarHBondContact OG1-CG 3.32Å; T424-E427 PolarHBondContact OG1-N 2.78Å; T424-E427 PolarHBondContact OG1-OE2 2.82Å; T424-L428 VanDerWaalsContact O-CG 3.25Å; T424-L428 WeakPolarHBondContact O-CG 3.22Å; T424-L428 PolarHBondContact O-N 3.31Å
425	D	88.8	Confident	89.9	Confident	91 Å²	91	70.9 Å²	70.9	49%	0.487	39%	0.388	S	S	.	.	H	α-helix	trans	-61.3	-31.9	179.7	-68.8	28	0	0	0	111.3	N429 K456 L460	D425-N429 WeakPolarHBondContact O-CB 3.47Å; D425-N429 PolarHBondContact O-N 3.34Å; D425-N429 PolarHBondContact O-ND2 3.33Å; D425-N429 PolarHBondContact O-OD1 2.96Å; D425-K456 WeakPolarHBondContact OD1-CE 3.46Å; D425-K456 IonicContact OD1-NZ 3.85Å; D425-K456 PolarHBondContact OD1-NZ 2.85Å; D425-L460 HydrophobicContact CB-CD1 4.29Å
426	D	88.6	Confident	89.9	Confident	122 Å²	122	69 Å²	69	65%	0.652	38%	0.379	S	S	*	.	H	α-helix	trans	-77.1	-35.7	178.1	-66.8	-44.4	0	0	0	113.6	T424 N429 S430	T424-D426 PolarHBondContact O-N 2.85Å; D426-N429 WeakPolarHBondContact O-CB 3.41Å; D426-N429 PolarHBondContact O-N 3.42Å; D426-N429 PolarHBondContact OD1-ND2 2.81Å; D426-S430 PolarHBondContact O-N 3.19Å
427	E	90.1	Very high	89.8	Confident	97 Å²	97	66.7 Å²	66.7	45%	0.453	37%	0.369	S	S	.	.	H	α-helix	trans	-63.1	-46.3	169.9	-73.1	159.5	141.1	0	0	110.2	D423 T424 N429 S430 V431	D423-E427 HydrophobicContact CB-CB 4.42Å; T424-E427 VanDerWaalsContact CB-OE2 3.26Å; T424-E427 WeakPolarHBondContact CB-OE2 3.4Å; T424-E427 WeakPolarHBondContact CG2-OE2 3.43Å; T424-E427 PolarHBondContact N-OE2 2.83Å; T424-E427 PolarHBondContact O-N 2.97Å; T424-E427 VanDerWaalsContact OG1-CD 3.27Å; T424-E427 WeakPolarHBondContact OG1-CG 3.32Å; T424-E427 PolarHBondContact OG1-N 2.78Å; T424-E427 PolarHBondContact OG1-OE2 2.82Å; E427-N429 VanDerWaalsContact C-N 3.35Å; E427-N429 PolarHBondContact O-N 3.14Å; E427-S430 WeakPolarHBondContact O-CB 3.37Å; E427-S430 PolarHBondContact O-N 3.08Å; E427-S430 PolarHBondContact O-OG 2.77Å; E427-V431 PolarHBondContact O-N 3.34Å
428	L	89.6	Confident	89.9	Confident	3 Å²	3	66.1 Å²	66.1	2%	0.016	37%	0.366	C	S	.	.	H	α-helix	trans	-58.4	-43.8	172.5	-66.6	173.1	0	0	0	112.2	I419 D423 T424 S430 V431 I432 K456 V457 L460	I419-L428 HydrophobicContact CB-CD2 4.47Å; I419-L428 HydrophobicContact CD1-CD2 3.56Å; I419-L428 HydrophobicContact CG1-CD2 3.91Å; I419-L428 HydrophobicContact CG2-CD2 3.71Å; D423-L428 HydrophobicContact CB-CD2 4.07Å; D423-L428 HydrophobicContact CB-CG 4.13Å; T424-L428 VanDerWaalsContact O-CG 3.25Å; T424-L428 WeakPolarHBondContact O-CG 3.22Å; T424-L428 PolarHBondContact O-N 3.31Å; L428-S430 PolarHBondContact O-N 3.4Å; L428-V431 PolarHBondContact O-N 3.45Å; L428-I432 WeakPolarHBondContact O-CD1 3.35Å; L428-I432 WeakPolarHBondContact O-CG1 3.48Å; L428-I432 PolarHBondContact O-N 3.04Å; L428-K456 HydrophobicContact CD1-CD 3.76Å; L428-K456 VanDerWaalsContact CD1-CE 3.49Å; L428-K456 HydrophobicContact CD1-CG 4.11Å; L428-V457 HydrophobicContact CD2-CG2 4.19Å; L428-L460 HydrophobicContact CB-CD1 3.6Å; L428-L460 HydrophobicContact CD1-CD1 4.05Å; L428-L460 HydrophobicContact CG-CD1 4.5Å
429	N	87.5	Confident	90	Very high	56 Å²	56	61.6 Å²	61.6	30%	0.299	34%	0.341	S	S	.	.	H	α-helix	trans	-58	-33.2	175.2	-70.7	-34.1	0	0	0	112	D425 D426 E427 Q464	D425-N429 WeakPolarHBondContact O-CB 3.47Å; D425-N429 PolarHBondContact O-N 3.34Å; D425-N429 PolarHBondContact O-ND2 3.33Å; D425-N429 PolarHBondContact O-OD1 2.96Å; D426-N429 WeakPolarHBondContact O-CB 3.41Å; D426-N429 PolarHBondContact O-N 3.42Å; D426-N429 PolarHBondContact OD1-ND2 2.81Å; E427-N429 VanDerWaalsContact C-N 3.35Å; E427-N429 PolarHBondContact O-N 3.14Å; N429-Q464 PolarHBondContact OD1-NE2 2.94Å
430	S	87.8	Confident	90.2	Very high	96 Å²	96	61.5 Å²	61.5	67%	0.671	34%	0.341	S	S	*	.	H	α-helix	trans	-77.7	-30.4	-175.3	78.3	0	0	0	0	114.6	D426 E427 L428	D426-S430 PolarHBondContact O-N 3.19Å; E427-S430 WeakPolarHBondContact O-CB 3.37Å; E427-S430 PolarHBondContact O-N 3.08Å; E427-S430 PolarHBondContact O-OG 2.77Å; L428-S430 PolarHBondContact O-N 3.4Å
431	V	90.4	Very high	90.6	Very high	68 Å²	68	56.5 Å²	56.5	41%	0.412	31%	0.314	S	S	.	.	H	α-helix	trans	-94.7	-21.4	-176.5	-164.6	0	0	0	0	112.3	Q363 T417 E427 L428 V433	Q363-V431 PolarHBondContact NE2-O 2.68Å; T417-V431 HydrophobicContact CG2-CB 4.39Å; T417-V431 HydrophobicContact CG2-CG1 3.58Å; E427-V431 PolarHBondContact O-N 3.34Å; L428-V431 PolarHBondContact O-N 3.45Å; V431-V433 PolarHBondContact O-N 3.27Å
432	I	90.1	Very high	91.1	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.026	29%	0.288	C	S	.	.	S	Bend	trans	-79.3	110.6	-178.4	-64.1	170	0	0	0	111.1	I365 L428 D434 Y439 V457 L460 L461 K466	I365-I432 HydrophobicContact CD1-CG1 4.18Å; I365-I432 HydrophobicContact CD1-CG2 4.41Å; L428-I432 WeakPolarHBondContact O-CD1 3.35Å; L428-I432 WeakPolarHBondContact O-CG1 3.48Å; L428-I432 PolarHBondContact O-N 3.04Å; I432-D434 PolarHBondContact O-N 3.03Å; I432-Y439 HydrophobicContact CG2-CD1 4.1Å; I432-Y439 HydrophobicContact CG2-CE1 3.49Å; I432-Y439 VanDerWaalsContact CG2-CE1 3.49Å; I432-V457 HydrophobicContact CD1-CG1 4.35Å; I432-L460 HydrophobicContact CD1-CD2 3.73Å; I432-L461 HydrophobicContact CD1-CD2 4.41Å; I432-L461 HydrophobicContact CG2-CD2 3.56Å; I432-K466 PolarHBondContact O-NZ 3.42Å
433	V	88.6	Confident	91.5	Very high	54 Å²	54	43.6 Å²	43.6	33%	0.327	25%	0.248	S	C	.	.			trans	-74.7	106.6	-171.6	177.4	0	0	0	0	111.8	M415 V431 T435 A436 Y439	M415-V433 HydrophobicContact CE-CB 4.29Å; M415-V433 HydrophobicContact CE-CG1 4.08Å; V431-V433 PolarHBondContact O-N 3.27Å; V433-T435 WeakPolarHBondContact CG1-OG1 3.37Å; V433-T435 PolarHBondContact O-N 3.32Å; V433-A436 PolarHBondContact O-N 3.39Å; V433-A436 VanDerWaalsContact O-N 3.13Å; V433-Y439 PolarHBondContact O-OH 2.85Å
434	D	85.4	Confident	91.9	Very high	114 Å²	114	42.4 Å²	42.4	61%	0.61	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50	-24.7	179.6	-86.3	18	0	0	0	115.7	I432 K466	I432-D434 PolarHBondContact O-N 3.03Å; D434-K466 WeakPolarHBondContact OD1-CE 3.45Å; D434-K466 IonicContact OD1-NZ 2.73Å; D434-K466 PolarHBondContact OD1-NZ 2.85Å
435	T	86.5	Confident	92.3	Very high	94 Å²	94	39.1 Å²	39.1	58%	0.577	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-5.2	-176.4	60	0	0	0	0	115.1	Q361 V433 D437	Q361-T435 PolarHBondContact OE1-OG1 2.73Å; V433-T435 WeakPolarHBondContact CG1-OG1 3.37Å; V433-T435 PolarHBondContact O-N 3.32Å; T435-D437 PolarHBondContact O-N 3.03Å
436	A	92.3	Very high	92.8	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.008	21%	0.211	C	C	.	.			trans	-63	131.7	-178.3	0	0	0	0	0	112.1	Q361 Q363 V433 A438 Y439 S469	Q361-A436 CarbonylContact O-C 3.6Å; Q363-A436 HydrophobicContact CB-CB 4.17Å; V433-A436 PolarHBondContact O-N 3.39Å; V433-A436 VanDerWaalsContact O-N 3.13Å; A436-A438 VanDerWaalsContact C-N 3.29Å; A436-Y439 HydrophobicContact CB-CD1 4.28Å; A436-Y439 HydrophobicContact CB-CE1 3.82Å; A436-S469 VanDerWaalsContact O-CB 3.23Å; A436-S469 WeakPolarHBondContact O-CB 3.41Å; A436-S469 PolarHBondContact O-OG 2.68Å
437	D	93.1	Very high	93.2	Very high	21 Å²	21	34.3 Å²	34.3	11%	0.112	20%	0.195	C	C	.	.	S	Bend	trans	-70.8	-27.9	171.6	-65.7	-86.4	0	0	0	111.2	R358 L360 Q361 T435 S469 A470 I524	R358-D437 IonicContact CZ-OD1 2.66Å; R358-D437 VanDerWaalsContact CZ-OD1 3.27Å; R358-D437 IonicContact CZ-OD2 2.69Å; R358-D437 IonicContact NH1-OD1 3.71Å; R358-D437 PolarHBondContact NH1-OD1 2.9Å; R358-D437 IonicContact NH1-OD2 3.27Å; R358-D437 IonicContact NH2-OD1 3.48Å; R358-D437 PolarHBondContact NH2-OD1 3.12Å; R358-D437 IonicContact NH2-OD2 3.69Å; R358-D437 PolarHBondContact NH2-OD2 3.23Å; L360-D437 WeakPolarHBondContact CA-OD2 3.32Å; L360-D437 HydrophobicContact CD2-CB 4.38Å; Q361-D437 PolarHBondContact N-OD2 2.93Å; Q361-D437 PolarHBondContact O-N 3.23Å; T435-D437 PolarHBondContact O-N 3.03Å; D437-S469 CarbonylContact O-C 3.56Å; D437-S469 WeakPolarHBondContact O-CA 3.33Å; D437-A470 PolarHBondContact O-N 3.02Å; D437-I524 HydrophobicContact CB-CD1 4.28Å; D437-I524 HydrophobicContact CB-CG1 4.44Å; D437-I524 HydrophobicContact CB-CG2 4.37Å
438	A	95.5	Very high	93.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	147.7	172	0	0	0	0	0	113.8	Q361 V362 Q363 A436 A470 I472 I520 I524	Q361-A438 PolarHBondContact O-N 3.44Å; Q361-A438 VanDerWaalsContact O-N 3.12Å; V362-A438 WeakPolarHBondContact CA-O 3.49Å; V362-A438 HydrophobicContact CG1-CB 4.3Å; V362-A438 HydrophobicContact CG2-CB 4.35Å; Q363-A438 PolarHBondContact N-O 3.13Å; A436-A438 VanDerWaalsContact C-N 3.29Å; A438-A470 CarbonylContact C-O 3.53Å; A438-A470 WeakPolarHBondContact CA-O 3.45Å; A438-A470 HydrophobicContact CB-CB 4.01Å; A438-I472 HydrophobicContact CB-CD1 4.04Å; A438-I520 HydrophobicContact CB-CG2 4.29Å; A438-I524 HydrophobicContact CB-CD1 3.9Å; A438-I524 HydrophobicContact CB-CG1 3.77Å
439	Y	96.3	Very high	93.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	117.4	167.8	-58.4	-76.3	0	0	0	109.2	Q363 I365 I432 V433 A436 L461 K466 S469 A470 I471 I472	Q363-Y439 HydrophobicContact CB-CD1 4.11Å; Q363-Y439 HydrophobicContact CB-CE1 4.47Å; I365-Y439 HydrophobicContact CD1-CD1 3.71Å; I365-Y439 HydrophobicContact CD1-CG 4.49Å; I432-Y439 HydrophobicContact CG2-CD1 4.1Å; I432-Y439 HydrophobicContact CG2-CE1 3.49Å; I432-Y439 VanDerWaalsContact CG2-CE1 3.49Å; V433-Y439 PolarHBondContact O-OH 2.85Å; A436-Y439 HydrophobicContact CB-CD1 4.28Å; A436-Y439 HydrophobicContact CB-CE1 3.82Å; Y439-L461 HydrophobicContact CD1-CD2 3.85Å; Y439-L461 HydrophobicContact CD2-CD1 4.31Å; Y439-L461 HydrophobicContact CD2-CD2 3.77Å; Y439-L461 HydrophobicContact CE1-CD2 3.93Å; Y439-L461 HydrophobicContact CE2-CD2 3.85Å; Y439-L461 HydrophobicContact CG-CD1 3.96Å; Y439-L461 HydrophobicContact CG-CD2 3.77Å; Y439-K466 HydrophobicContact CE2-CB 4.24Å; Y439-K466 HydrophobicContact CE2-CD 4.13Å; Y439-K466 WeakPolarHBondContact OH-CD 3.11Å; Y439-S469 VanDerWaalsContact CE2-CB 3.46Å; Y439-A470 PolarHBondContact N-O 3.44Å; Y439-I471 HydrophobicContact CD2-CG1 4.42Å; Y439-I471 WeakPolarHBondContact O-CA 3.22Å; Y439-I472 PolarHBondContact O-N 3.11Å
440	L	97.6	Very high	94.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	100.4	176.1	173.7	51.4	0	0	0	108.9	V362 Q363 I365 M375 I442 I472 A474 L516 I520	V362-L440 HydrophobicContact CG1-CB 4.11Å; Q363-L440 PolarHBondContact O-N 3.28Å; I365-L440 PolarHBondContact N-O 2.93Å; M375-L440 HydrophobicContact CE-CD2 3.62Å; M375-L440 HydrophobicContact SD-CD2 3.82Å; L440-I442 HydrophobicContact CD1-CG1 4.32Å; L440-I442 HydrophobicContact CD2-CD1 4.46Å; L440-I442 HydrophobicContact CG-CD1 4.18Å; L440-I442 HydrophobicContact CG-CG1 4.04Å; L440-I472 HydrophobicContact CD1-CB 4.02Å; L440-I472 HydrophobicContact CD1-CG2 3.91Å; L440-A474 HydrophobicContact CD1-CB 3.87Å; L440-L516 HydrophobicContact CD1-CD1 4.1Å; L440-L516 HydrophobicContact CD1-CD2 4.39Å; L440-L516 HydrophobicContact CD2-CD2 4.23Å; L440-I520 HydrophobicContact CD2-CD1 3.81Å
441	V	97.5	Very high	94.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.4	-177.1	-172.6	0	0	0	0	109.3	I365 A454 V457 I458 L461 I472 L473 A474	I365-V441 CarbonylContact O-C 3.57Å; I365-V441 WeakPolarHBondContact O-CA 3.41Å; V441-A454 HydrophobicContact CG1-CB 3.66Å; V441-V457 HydrophobicContact CG1-CB 4.33Å; V441-V457 HydrophobicContact CG1-CG1 4.18Å; V441-V457 HydrophobicContact CG2-CG1 3.87Å; V441-I458 HydrophobicContact CB-CD1 4.25Å; V441-I458 HydrophobicContact CB-CG1 4.18Å; V441-I458 HydrophobicContact CG1-CD1 4.39Å; V441-I458 HydrophobicContact CG1-CG1 4.25Å; V441-I458 HydrophobicContact CG2-CD1 4.45Å; V441-I458 HydrophobicContact CG2-CG1 3.9Å; V441-L461 HydrophobicContact CG2-CD1 4.06Å; V441-I472 PolarHBondContact N-O 3.38Å; V441-L473 WeakPolarHBondContact O-CA 3.17Å; V441-A474 PolarHBondContact O-N 2.85Å
442	I	98.1	Very high	95	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.9	-173.3	-49.2	-168.2	0	0	0	110.5	V364 I365 G366 V370 K372 M375 L440 A474 N476	V364-I442 HydrophobicContact CG1-CD1 3.59Å; V364-I442 HydrophobicContact CG1-CG1 4.26Å; I365-I442 PolarHBondContact O-N 2.96Å; G366-I442 WeakPolarHBondContact CA-O 3.41Å; V370-I442 HydrophobicContact CB-CG2 4.32Å; V370-I442 HydrophobicContact CG2-CB 4.09Å; V370-I442 HydrophobicContact CG2-CG2 3.84Å; K372-I442 HydrophobicContact CG-CD1 4.42Å; M375-I442 HydrophobicContact CE-CD1 3.57Å; M375-I442 HydrophobicContact SD-CD1 3.5Å; M375-I442 VanDerWaalsContact SD-CD1 3.5Å; L440-I442 HydrophobicContact CD1-CG1 4.32Å; L440-I442 HydrophobicContact CD2-CD1 4.46Å; L440-I442 HydrophobicContact CG-CD1 4.18Å; L440-I442 HydrophobicContact CG-CG1 4.04Å; I442-A474 WeakPolarHBondContact CA-O 3.25Å; I442-A474 HydrophobicContact CG1-CB 4.3Å; I442-N476 HydrophobicContact CG2-CB 3.96Å
443	Y	98.4	Very high	95.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	168	164	75	-85.6	0	0	0	109.8	V445 S450 F451 A454 L473 A474 A475 N476 V486 G491 F502	Y443-V445 HydrophobicContact CE2-CG1 4.37Å; Y443-S450 WeakPolarHBondContact CB-OG 3.35Å; Y443-F451 HydrophobicContact CD1-CD2 4.1Å; Y443-F451 HydrophobicContact CD2-CB 3.86Å; Y443-F451 AromaticContact CD2-CD2 3.86Å; Y443-F451 HydrophobicContact CD2-CD2 3.86Å; Y443-F451 HydrophobicContact CD2-CG 4.33Å; Y443-F451 AromaticContact CE1-CD2 3.87Å; Y443-F451 HydrophobicContact CE1-CD2 3.87Å; Y443-F451 HydrophobicContact CE1-CE2 4.28Å; Y443-F451 HydrophobicContact CE2-CB 4.33Å; Y443-F451 AromaticContact CE2-CD2 3.65Å; Y443-F451 HydrophobicContact CE2-CD2 3.65Å; Y443-F451 HydrophobicContact CE2-CE2 4.4Å; Y443-F451 HydrophobicContact CE2-CG 4.37Å; Y443-F451 HydrophobicContact CG-CB 4.22Å; Y443-F451 HydrophobicContact CG-CD2 4.07Å; Y443-F451 AromaticContact CZ-CD2 3.62Å; Y443-A454 HydrophobicContact CD1-CB 4.45Å; Y443-L473 HydrophobicContact CD1-CD1 3.66Å; Y443-L473 HydrophobicContact CD1-CG 4.4Å; Y443-L473 HydrophobicContact CE1-CD1 3.8Å; Y443-L473 HydrophobicContact CE1-CD2 4.3Å; Y443-L473 HydrophobicContact CE1-CG 4.05Å; Y443-A474 WeakPolarHBondContact CD1-O 3.48Å; Y443-A474 PolarHBondContact N-O 3.28Å; Y443-A475 HydrophobicContact CD1-CB 4.4Å; Y443-A475 HydrophobicContact CE1-CB 3.65Å; Y443-A475 HydrophobicContact CE2-CB 3.86Å; Y443-A475 WeakPolarHBondContact OH-CB 3.33Å; Y443-N476 PolarHBondContact O-N 2.78Å; Y443-V486 HydrophobicContact CE2-CB 4Å; Y443-V486 HydrophobicContact CE2-CG1 3.66Å; Y443-V486 HydrophobicContact CE2-CG2 4.3Å; Y443-G491 VanDerWaalsContact OH-CA 3.31Å; Y443-G491 WeakPolarHBondContact OH-CA 3.38Å; Y443-F502 HydrophobicContact CE1-CE2 4.22Å
444	A	98.2	Very high	95.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	137.7	175.5	0	0	0	0	0	111.1	V370 D446 D447 S450 N476 K477	V370-A444 HydrophobicContact CB-CB 4.14Å; V370-A444 HydrophobicContact CG1-CB 4.19Å; A444-D446 WeakPolarHBondContact CB-OD1 3.43Å; A444-D446 PolarHBondContact O-N 3.23Å; A444-D446 VanDerWaalsContact O-N 3.15Å; A444-D447 PolarHBondContact O-N 3.21Å; A444-S450 PolarHBondContact N-OG 3.42Å; A444-S450 PolarHBondContact O-OG 2.74Å; A444-N476 WeakPolarHBondContact CA-O 3.28Å; A444-K477 HydrophobicContact CB-CD 3.92Å; A444-K477 HydrophobicContact CB-CG 4.17Å
445	V	98.4	Very high	96.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-14.5	-173.2	-58	0	0	0	0	113.9	Y443 A475 N476 K477 R484 V485 V486	Y443-V445 HydrophobicContact CE2-CG1 4.37Å; V445-A475 HydrophobicContact CG1-CB 3.87Å; V445-N476 PolarHBondContact N-O 3.27Å; V445-K477 HydrophobicContact CG2-CB 4.47Å; V445-K477 WeakPolarHBondContact CG2-O 3.16Å; V445-R484 HydrophobicContact CB-CG 4.18Å; V445-R484 HydrophobicContact CG2-CG 4.44Å; V445-R484 CarbonylContact O-C 3.59Å; V445-R484 WeakPolarHBondContact O-CA 3.36Å; V445-V485 PolarHBondContact O-N 3.39Å; V445-V486 PolarHBondContact O-N 3.47Å
446	D	97.9	Very high	96.5	Very high	49 Å²	49	28.1 Å²	28.1	26%	0.262	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-8.9	174.4	66.9	-25	0	0	0	114	A444 K477 L480 T483 V485	A444-D446 WeakPolarHBondContact CB-OD1 3.43Å; A444-D446 PolarHBondContact O-N 3.23Å; A444-D446 VanDerWaalsContact O-N 3.15Å; D446-K477 WeakPolarHBondContact OD1-CD 3.39Å; D446-K477 IonicContact OD1-NZ 3.74Å; D446-K477 PolarHBondContact OD1-NZ 3.49Å; D446-K477 WeakPolarHBondContact OD2-CD 3.33Å; D446-K477 IonicContact OD2-NZ 2.69Å; D446-K477 PolarHBondContact OD2-NZ 3.45Å; D446-L480 HydrophobicContact CB-CD1 4.03Å; D446-T483 WeakPolarHBondContact CA-O 3.23Å; D446-V485 VanDerWaalsContact C-CG2 3.48Å; D446-V485 WeakPolarHBondContact O-CG2 3.43Å
447	D	97.1	Very high	96.6	Very high	62 Å²	62	28.1 Å²	28.1	33%	0.332	13%	0.127	S	C	.	.			trans	-126.6	108.4	177.3	174.8	30.1	0	0	0	112.5	A444 G449 S450	A444-D447 PolarHBondContact O-N 3.21Å; D447-G449 VanDerWaalsContact C-N 3.26Å; D447-G449 PolarHBondContact O-N 3.02Å; D447-G449 WeakPolarHBondContact OD1-CA 3.3Å; D447-G449 PolarHBondContact OD1-N 2.82Å; D447-S450 PolarHBondContact O-N 2.88Å; D447-S450 PolarHBondContact O-OG 3.35Å; D447-S450 WeakPolarHBondContact OD2-CB 3.43Å; D447-S450 PolarHBondContact OD2-N 3.42Å
448	R	96.7	Very high	96.7	Very high	100 Å²	100	27.2 Å²	27.2	38%	0.377	12%	0.122	S	C	.	.	H	α-helix	trans	-69.5	-22.4	176.6	-155.2	176.5	179.2	94.2	-0.5	112.8	F451 Y452 V485 V486	R448-F451 PolarHBondContact O-N 3.01Å; R448-Y452 HydrophobicContact CG-CD2 4.34Å; R448-Y452 HydrophobicContact CG-CE2 3.74Å; R448-Y452 PolarHBondContact NE-OH 2.86Å; R448-Y452 WeakPolarHBondContact O-CD2 3.45Å; R448-Y452 PolarHBondContact O-N 3.15Å; R448-V485 HydrophobicContact CB-CG2 3.88Å; R448-V485 PolarHBondContact NH1-O 2.98Å; R448-V486 HydrophobicContact CB-CG2 4.36Å; R448-V486 HydrophobicContact CG-CG2 4.24Å
449	G	96.6	Very high	96.6	Very high	21 Å²	21	28.3 Å²	28.3	22%	0.216	13%	0.134	C	C	.	.	H	α-helix	trans	-62.3	-55.2	172.6	0	0	0	0	0	111.2	D447 F451 Y452 T453	D447-G449 VanDerWaalsContact C-N 3.26Å; D447-G449 PolarHBondContact O-N 3.02Å; D447-G449 WeakPolarHBondContact OD1-CA 3.3Å; D447-G449 PolarHBondContact OD1-N 2.82Å; G449-F451 PolarHBondContact O-N 3.4Å; G449-F451 VanDerWaalsContact O-N 3.12Å; G449-Y452 PolarHBondContact O-N 3.18Å; G449-T453 PolarHBondContact O-N 2.8Å; G449-T453 PolarHBondContact O-OG1 3.4Å
450	S	97.1	Very high	96.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-51.5	-36.1	176	73	0	0	0	0	113.6	T367 Y443 A444 D447 T453 A454	T367-S450 WeakPolarHBondContact OG1-CB 3.41Å; Y443-S450 WeakPolarHBondContact CB-OG 3.35Å; A444-S450 PolarHBondContact N-OG 3.42Å; A444-S450 PolarHBondContact O-OG 2.74Å; D447-S450 PolarHBondContact O-N 2.88Å; D447-S450 PolarHBondContact O-OG 3.35Å; D447-S450 WeakPolarHBondContact OD2-CB 3.43Å; D447-S450 PolarHBondContact OD2-N 3.42Å; S450-T453 PolarHBondContact O-N 2.79Å; S450-A454 WeakPolarHBondContact O-CB 3.31Å; S450-A454 PolarHBondContact O-N 2.74Å
451	F	97.6	Very high	96	Very high	14 Å²	14	28.7 Å²	28.7	6%	0.061	14%	0.136	C	C	.	.	H	α-helix	trans	-68.7	-40.3	176.9	177.9	-107.3	0	0	0	113.2	Y443 R448 G449 A454 R455 V486 D490 L494	Y443-F451 HydrophobicContact CD1-CD2 4.1Å; Y443-F451 HydrophobicContact CD2-CB 3.86Å; Y443-F451 AromaticContact CD2-CD2 3.86Å; Y443-F451 HydrophobicContact CD2-CD2 3.86Å; Y443-F451 HydrophobicContact CD2-CG 4.33Å; Y443-F451 AromaticContact CE1-CD2 3.87Å; Y443-F451 HydrophobicContact CE1-CD2 3.87Å; Y443-F451 HydrophobicContact CE1-CE2 4.28Å; Y443-F451 HydrophobicContact CE2-CB 4.33Å; Y443-F451 AromaticContact CE2-CD2 3.65Å; Y443-F451 HydrophobicContact CE2-CD2 3.65Å; Y443-F451 HydrophobicContact CE2-CE2 4.4Å; Y443-F451 HydrophobicContact CE2-CG 4.37Å; Y443-F451 HydrophobicContact CG-CB 4.22Å; Y443-F451 HydrophobicContact CG-CD2 4.07Å; Y443-F451 AromaticContact CZ-CD2 3.62Å; R448-F451 PolarHBondContact O-N 3.01Å; G449-F451 PolarHBondContact O-N 3.4Å; G449-F451 VanDerWaalsContact O-N 3.12Å; F451-A454 PolarHBondContact O-N 3.01Å; F451-R455 WeakPolarHBondContact O-CB 3.2Å; F451-R455 PolarHBondContact O-N 3.05Å; F451-V486 HydrophobicContact CB-CG1 4.41Å; F451-V486 HydrophobicContact CB-CG2 3.84Å; F451-V486 HydrophobicContact CD1-CG1 4.18Å; F451-V486 HydrophobicContact CD2-CG1 3.74Å; F451-V486 HydrophobicContact CE1-CG1 4.36Å; F451-V486 HydrophobicContact CE2-CG1 3.93Å; F451-V486 HydrophobicContact CG-CG1 3.85Å; F451-V486 HydrophobicContact CG-CG2 4.13Å; F451-V486 HydrophobicContact CZ-CG1 4.24Å; F451-D490 HydrophobicContact CE1-CB 4.28Å; F451-D490 HydrophobicContact CE2-CB 4.45Å; F451-D490 HydrophobicContact CZ-CB 3.82Å; F451-L494 HydrophobicContact CD2-CD2 4.11Å; F451-L494 HydrophobicContact CE2-CB 4.19Å; F451-L494 HydrophobicContact CE2-CD2 3.48Å; F451-L494 VanDerWaalsContact CE2-CD2 3.48Å; F451-L494 HydrophobicContact CE2-CG 4.41Å; F451-L494 HydrophobicContact CZ-CB 4.15Å; F451-L494 HydrophobicContact CZ-CD2 3.84Å; F451-L494 HydrophobicContact CZ-CG 4.44Å
452	Y	96.5	Very high	95.6	Very high	120 Å²	120	31.5 Å²	31.5	47%	0.471	15%	0.151	S	C	.	.	H	α-helix	trans	-68	-37.6	173.9	-69.8	-59.6	0	0	0	111.8	R448 G449 R455 K456	R448-Y452 HydrophobicContact CG-CD2 4.34Å; R448-Y452 HydrophobicContact CG-CE2 3.74Å; R448-Y452 PolarHBondContact NE-OH 2.86Å; R448-Y452 WeakPolarHBondContact O-CD2 3.45Å; R448-Y452 PolarHBondContact O-N 3.15Å; G449-Y452 PolarHBondContact O-N 3.18Å; Y452-R455 WeakPolarHBondContact O-CB 3.34Å; Y452-R455 PolarHBondContact O-N 2.84Å; Y452-K456 PolarHBondContact O-N 3.48Å
453	T	95.7	Very high	94.9	Very high	9 Å²	9	35.2 Å²	35.2	6%	0.055	18%	0.177	C	C	.	.	H	α-helix	trans	-65.1	-44	172.9	-51.7	0	0	0	0	111.9	T367 I419 G449 S450 R455 K456 V457	T367-T453 HydrophobicContact CG2-CG2 3.69Å; I419-T453 HydrophobicContact CG2-CG2 3.48Å; I419-T453 VanDerWaalsContact CG2-CG2 3.48Å; G449-T453 PolarHBondContact O-N 2.8Å; G449-T453 PolarHBondContact O-OG1 3.4Å; S450-T453 PolarHBondContact O-N 2.79Å; T453-R455 VanDerWaalsContact C-N 3.32Å; T453-R455 PolarHBondContact O-N 3.32Å; T453-K456 WeakPolarHBondContact O-CA 3.5Å; T453-K456 WeakPolarHBondContact O-CB 3.31Å; T453-K456 PolarHBondContact O-N 2.81Å; T453-V457 WeakPolarHBondContact O-CG2 3.19Å; T453-V457 PolarHBondContact O-N 3.28Å
454	A	96.6	Very high	93.9	Very high	2 Å²	2	38.2 Å²	38.2	2%	0.017	19%	0.191	C	C	.	.	H	α-helix	trans	-59.2	-41.6	174.9	0	0	0	0	0	112.2	V441 Y443 S450 F451 K456 V457 I458 L473	V441-A454 HydrophobicContact CG1-CB 3.66Å; Y443-A454 HydrophobicContact CD1-CB 4.45Å; S450-A454 WeakPolarHBondContact O-CB 3.31Å; S450-A454 PolarHBondContact O-N 2.74Å; F451-A454 PolarHBondContact O-N 3.01Å; A454-K456 PolarHBondContact O-N 3.28Å; A454-V457 PolarHBondContact O-N 3.06Å; A454-I458 WeakPolarHBondContact O-CG1 3.43Å; A454-I458 PolarHBondContact O-N 2.82Å; A454-L473 HydrophobicContact CB-CD1 4.27Å
455	R	95.7	Very high	92.1	Very high	120 Å²	120	40.4 Å²	40.4	45%	0.453	21%	0.205	S	C	.	.	H	α-helix	trans	-59.1	-44.3	171.4	172.1	168.2	-172.6	-169.4	-1.5	112.3	F451 Y452 T453 G459 L494 Y498	F451-R455 WeakPolarHBondContact O-CB 3.2Å; F451-R455 PolarHBondContact O-N 3.05Å; Y452-R455 WeakPolarHBondContact O-CB 3.34Å; Y452-R455 PolarHBondContact O-N 2.84Å; T453-R455 VanDerWaalsContact C-N 3.32Å; T453-R455 PolarHBondContact O-N 3.32Å; R455-G459 PolarHBondContact O-N 3.13Å; R455-G459 VanDerWaalsContact O-N 3.09Å; R455-L494 HydrophobicContact CB-CD1 3.92Å; R455-L494 HydrophobicContact CB-CD2 3.99Å; R455-L494 HydrophobicContact CG-CD1 3.79Å; R455-Y498 HydrophobicContact CG-CE2 4.16Å
456	K	94.5	Very high	90.6	Very high	72 Å²	72	41.2 Å²	41.2	31%	0.313	21%	0.209	S	C	.	.	H	α-helix	trans	-60.4	-51.1	178.1	-173.2	-177.6	178.4	-174.7	0	111	D423 D425 L428 Y452 T453 A454 I458 G459 L460	D423-K456 PolarHBondContact O-NZ 2.83Å; D425-K456 WeakPolarHBondContact OD1-CE 3.46Å; D425-K456 IonicContact OD1-NZ 3.85Å; D425-K456 PolarHBondContact OD1-NZ 2.85Å; L428-K456 HydrophobicContact CD1-CD 3.76Å; L428-K456 VanDerWaalsContact CD1-CE 3.49Å; L428-K456 HydrophobicContact CD1-CG 4.11Å; Y452-K456 PolarHBondContact O-N 3.48Å; T453-K456 WeakPolarHBondContact O-CA 3.5Å; T453-K456 WeakPolarHBondContact O-CB 3.31Å; T453-K456 PolarHBondContact O-N 2.81Å; A454-K456 PolarHBondContact O-N 3.28Å; K456-I458 PolarHBondContact O-N 3.2Å; K456-G459 PolarHBondContact O-N 3.43Å; K456-L460 PolarHBondContact O-N 3.28Å
457	V	94.5	Very high	89.1	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-56.7	-47.3	177.9	170.3	0	0	0	0	111.8	I365 I419 L428 I432 V441 T453 A454 G459 L460 L461	I365-V457 HydrophobicContact CG2-CG1 3.88Å; I365-V457 HydrophobicContact CG2-CG2 4.31Å; I419-V457 HydrophobicContact CD1-CG2 3.8Å; L428-V457 HydrophobicContact CD2-CG2 4.19Å; I432-V457 HydrophobicContact CD1-CG1 4.35Å; V441-V457 HydrophobicContact CG1-CB 4.33Å; V441-V457 HydrophobicContact CG1-CG1 4.18Å; V441-V457 HydrophobicContact CG2-CG1 3.87Å; T453-V457 WeakPolarHBondContact O-CG2 3.19Å; T453-V457 PolarHBondContact O-N 3.28Å; A454-V457 PolarHBondContact O-N 3.06Å; V457-G459 PolarHBondContact O-N 3.35Å; V457-L460 PolarHBondContact O-N 3.19Å; V457-L461 HydrophobicContact CG1-CD1 3.95Å; V457-L461 HydrophobicContact CG1-CG 4.34Å; V457-L461 WeakPolarHBondContact O-CG 3.23Å; V457-L461 PolarHBondContact O-N 3.08Å
458	I	94	Very high	88.2	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-64.6	-39.5	179.4	-68	171.6	0	0	0	111.6	V441 A454 K456 L460 L461 L462 I471 L473 Y498	V441-I458 HydrophobicContact CB-CD1 4.25Å; V441-I458 HydrophobicContact CB-CG1 4.18Å; V441-I458 HydrophobicContact CG1-CD1 4.39Å; V441-I458 HydrophobicContact CG1-CG1 4.25Å; V441-I458 HydrophobicContact CG2-CD1 4.45Å; V441-I458 HydrophobicContact CG2-CG1 3.9Å; A454-I458 WeakPolarHBondContact O-CG1 3.43Å; A454-I458 PolarHBondContact O-N 2.82Å; K456-I458 PolarHBondContact O-N 3.2Å; I458-L460 VanDerWaalsContact C-N 3.31Å; I458-L460 PolarHBondContact O-N 2.83Å; I458-L461 PolarHBondContact O-N 2.99Å; I458-L462 HydrophobicContact CG2-CD1 3.97Å; I458-L462 WeakPolarHBondContact O-CG 3.41Å; I458-L462 PolarHBondContact O-N 3.39Å; I458-L462 VanDerWaalsContact O-N 3.16Å; I458-I471 HydrophobicContact CG1-CG2 4.22Å; I458-L473 HydrophobicContact CD1-CB 4.13Å; I458-L473 HydrophobicContact CD1-CD1 3.9Å; I458-L473 HydrophobicContact CD1-CD2 4.45Å; I458-L473 HydrophobicContact CD1-CG 4.38Å; I458-Y498 HydrophobicContact CB-CD2 4.31Å; I458-Y498 HydrophobicContact CG2-CD1 4.02Å; I458-Y498 HydrophobicContact CG2-CD2 3.57Å; I458-Y498 HydrophobicContact CG2-CE2 4.22Å; I458-Y498 HydrophobicContact CG2-CG 3.46Å; I458-Y498 VanDerWaalsContact CG2-CG 3.46Å
459	G	92.7	Very high	87.9	Confident	24 Å²	24	40 Å²	40	25%	0.247	21%	0.206	C	C	.	.	H	α-helix	trans	-59.5	-40.9	174.2	0	0	0	0	0	113	R455 K456 V457 S463	R455-G459 PolarHBondContact O-N 3.13Å; R455-G459 VanDerWaalsContact O-N 3.09Å; K456-G459 PolarHBondContact O-N 3.43Å; V457-G459 PolarHBondContact O-N 3.35Å; G459-S463 WeakPolarHBondContact O-CB 3.25Å; G459-S463 PolarHBondContact O-N 2.94Å
460	L	91.3	Very high	87.8	Confident	8 Å²	8	39.1 Å²	39.1	4%	0.042	20%	0.197	C	C	.	.	H	α-helix	trans	-70.7	-45.8	178.3	-179.1	157.3	0	0	0	112.4	D425 L428 I432 K456 V457 I458 L462 S463 Q464	D425-L460 HydrophobicContact CB-CD1 4.29Å; L428-L460 HydrophobicContact CB-CD1 3.6Å; L428-L460 HydrophobicContact CD1-CD1 4.05Å; L428-L460 HydrophobicContact CG-CD1 4.5Å; I432-L460 HydrophobicContact CD1-CD2 3.73Å; K456-L460 PolarHBondContact O-N 3.28Å; V457-L460 PolarHBondContact O-N 3.19Å; I458-L460 VanDerWaalsContact C-N 3.31Å; I458-L460 PolarHBondContact O-N 2.83Å; L460-L462 PolarHBondContact O-N 3.03Å; L460-S463 PolarHBondContact O-N 2.89Å; L460-S463 VanDerWaalsContact O-N 3.13Å; L460-S463 PolarHBondContact O-OG 3.49Å; L460-Q464 HydrophobicContact CD2-CG 4.16Å; L460-Q464 WeakPolarHBondContact O-CB 3.5Å; L460-Q464 WeakPolarHBondContact O-CG 3.26Å; L460-Q464 PolarHBondContact O-N 3.12Å
461	L	91.3	Very high	87.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-54.4	-39.9	174.5	-74	171	0	0	0	112	I432 Y439 V441 V457 I458 K466 I471	I432-L461 HydrophobicContact CD1-CD2 4.41Å; I432-L461 HydrophobicContact CG2-CD2 3.56Å; Y439-L461 HydrophobicContact CD1-CD2 3.85Å; Y439-L461 HydrophobicContact CD2-CD1 4.31Å; Y439-L461 HydrophobicContact CD2-CD2 3.77Å; Y439-L461 HydrophobicContact CE1-CD2 3.93Å; Y439-L461 HydrophobicContact CE2-CD2 3.85Å; Y439-L461 HydrophobicContact CG-CD1 3.96Å; Y439-L461 HydrophobicContact CG-CD2 3.77Å; V441-L461 HydrophobicContact CG2-CD1 4.06Å; V457-L461 HydrophobicContact CG1-CD1 3.95Å; V457-L461 HydrophobicContact CG1-CG 4.34Å; V457-L461 WeakPolarHBondContact O-CG 3.23Å; V457-L461 PolarHBondContact O-N 3.08Å; I458-L461 PolarHBondContact O-N 2.99Å; L461-K466 HydrophobicContact CD2-CD 3.95Å; L461-K466 PolarHBondContact O-N 2.93Å; L461-I471 HydrophobicContact CB-CD1 3.84Å; L461-I471 HydrophobicContact CD1-CD1 4.31Å; L461-I471 HydrophobicContact CD1-CG1 4.48Å
462	L	88	Confident	87.7	Confident	58 Å²	58	39.4 Å²	39.4	30%	0.304	20%	0.199	S	C	.	.	H	α-helix	trans	-77.3	-32.8	178.8	-69.7	171.1	0	0	0	113.4	I458 L460 C465 I471 Y498	I458-L462 HydrophobicContact CG2-CD1 3.97Å; I458-L462 WeakPolarHBondContact O-CG 3.41Å; I458-L462 PolarHBondContact O-N 3.39Å; I458-L462 VanDerWaalsContact O-N 3.16Å; L460-L462 PolarHBondContact O-N 3.03Å; L462-C465 PolarHBondContact O-N 3.29Å; L462-I471 HydrophobicContact CD2-CD1 3.87Å; L462-I471 HydrophobicContact CG-CD1 4.07Å; L462-Y498 HydrophobicContact CD1-CD1 3.48Å; L462-Y498 VanDerWaalsContact CD1-CD1 3.48Å; L462-Y498 HydrophobicContact CD1-CE1 4.39Å; L462-Y498 HydrophobicContact CD1-CG 3.98Å
463	S	84.6	Confident	87.8	Confident	79 Å²	79	33.7 Å²	33.7	55%	0.552	18%	0.177	S	C	*	.	H	α-helix	trans	-70.2	-41.6	176.5	76.8	0	0	0	0	111.7	G459 L460 C465	G459-S463 WeakPolarHBondContact O-CB 3.25Å; G459-S463 PolarHBondContact O-N 2.94Å; L460-S463 PolarHBondContact O-N 2.89Å; L460-S463 VanDerWaalsContact O-N 3.13Å; L460-S463 PolarHBondContact O-OG 3.49Å; S463-C465 PolarHBondContact O-N 3.32Å; S463-C465 PolarHBondContact O-SG 3.47Å; S463-C465 VanDerWaalsContact O-SG 3.4Å
464	Q	76.6	Confident	87.9	Confident	62 Å²	62	33.3 Å²	33.3	29%	0.29	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-4.4	172.6	-71.6	-170.2	-29.4	0	0	113.9	N429 L460 K466	N429-Q464 PolarHBondContact OD1-NE2 2.94Å; L460-Q464 HydrophobicContact CD2-CG 4.16Å; L460-Q464 WeakPolarHBondContact O-CB 3.5Å; L460-Q464 WeakPolarHBondContact O-CG 3.26Å; L460-Q464 PolarHBondContact O-N 3.12Å; Q464-K466 VanDerWaalsContact C-N 3.28Å; Q464-K466 HydrophobicContact CB-CD 4.17Å; Q464-K466 HydrophobicContact CB-CG 4.06Å; Q464-K466 PolarHBondContact O-N 2.93Å
465	C	61.3	Low	88	Confident	46 Å²	46	33.2 Å²	33.2	31%	0.311	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	31.7	179.4	-64.2	0	0	0	0	114.1	L462 S463 R467 F573	L462-C465 PolarHBondContact O-N 3.29Å; S463-C465 PolarHBondContact O-N 3.32Å; S463-C465 PolarHBondContact O-SG 3.47Å; S463-C465 VanDerWaalsContact O-SG 3.4Å; C465-R467 PolarHBondContact O-N 2.94Å; C465-R467 PolarHBondContact SG-NH1 2.87Å; C465-F573 HydrophobicContact CB-CZ 4.44Å
466	K	66.1	Low	88.1	Confident	18 Å²	18	27.5 Å²	27.5	8%	0.078	15%	0.152	C	C	.	.			trans	-70	40.8	176.5	-70.8	176.9	159.9	174.9	0	113.9	I432 D434 Y439 L461 Q464 S468 S469	I432-K466 PolarHBondContact O-NZ 3.42Å; D434-K466 WeakPolarHBondContact OD1-CE 3.45Å; D434-K466 IonicContact OD1-NZ 2.73Å; D434-K466 PolarHBondContact OD1-NZ 2.85Å; Y439-K466 HydrophobicContact CE2-CB 4.24Å; Y439-K466 HydrophobicContact CE2-CD 4.13Å; Y439-K466 WeakPolarHBondContact OH-CD 3.11Å; L461-K466 HydrophobicContact CD2-CD 3.95Å; L461-K466 PolarHBondContact O-N 2.93Å; Q464-K466 VanDerWaalsContact C-N 3.28Å; Q464-K466 HydrophobicContact CB-CD 4.17Å; Q464-K466 HydrophobicContact CB-CG 4.06Å; Q464-K466 PolarHBondContact O-N 2.93Å; K466-S468 PolarHBondContact O-N 2.93Å; K466-S468 VanDerWaalsContact O-N 3.08Å; K466-S469 PolarHBondContact O-N 3.5Å; K466-S469 VanDerWaalsContact O-N 3.14Å
467	R	65.6	Low	88.3	Confident	118 Å²	118	26.2 Å²	26.2	45%	0.445	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	0.5	-178.9	-57.5	-173	-173.6	82.9	15.8	113.8	C465 Q527 V531	C465-R467 PolarHBondContact O-N 2.94Å; C465-R467 PolarHBondContact SG-NH1 2.87Å; R467-Q527 PolarHBondContact O-NE2 3.01Å; R467-V531 WeakPolarHBondContact O-CG2 3.47Å
468	S	78.8	Confident	88.4	Confident	59 Å²	59	27 Å²	27	41%	0.413	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-32.6	167	44.5	0	0	0	0	112.7	K466	K466-S468 PolarHBondContact O-N 2.93Å; K466-S468 VanDerWaalsContact O-N 3.08Å
469	S	91.3	Very high	88.6	Confident	7 Å²	7	29.7 Å²	29.7	5%	0.049	17%	0.166	C	C	.	.	S	Bend	trans	-108.9	147.3	-163.8	-47.3	0	0	0	0	111.2	A436 D437 Y439 K466	A436-S469 VanDerWaalsContact O-CB 3.23Å; A436-S469 WeakPolarHBondContact O-CB 3.41Å; A436-S469 PolarHBondContact O-OG 2.68Å; D437-S469 CarbonylContact O-C 3.56Å; D437-S469 WeakPolarHBondContact O-CA 3.33Å; Y439-S469 VanDerWaalsContact CE2-CB 3.46Å; K466-S469 PolarHBondContact O-N 3.5Å; K466-S469 VanDerWaalsContact O-N 3.14Å
470	A	93.9	Very high	88.8	Confident	4 Å²	4	31.3 Å²	31.3	3%	0.033	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	148.8	173.1	0	0	0	0	0	110.9	D437 A438 Y439 I472 A523 I524 Q527	D437-A470 PolarHBondContact O-N 3.02Å; A438-A470 CarbonylContact C-O 3.53Å; A438-A470 WeakPolarHBondContact CA-O 3.45Å; A438-A470 HydrophobicContact CB-CB 4.01Å; Y439-A470 PolarHBondContact N-O 3.44Å; A470-I472 HydrophobicContact CB-CD1 3.99Å; A470-A523 HydrophobicContact CB-CB 3.88Å; A470-I524 HydrophobicContact CB-CG1 4.22Å; A470-Q527 HydrophobicContact CB-CB 4.43Å
471	I	95.4	Very high	89	Confident	20 Å²	20	36.1 Å²	36.1	10%	0.103	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.7	171.3	-58.7	177.2	0	0	0	107.8	Y439 I458 L461 L462 C500 S501	Y439-I471 HydrophobicContact CD2-CG1 4.42Å; Y439-I471 WeakPolarHBondContact O-CA 3.22Å; I458-I471 HydrophobicContact CG1-CG2 4.22Å; L461-I471 HydrophobicContact CB-CD1 3.84Å; L461-I471 HydrophobicContact CD1-CD1 4.31Å; L461-I471 HydrophobicContact CD1-CG1 4.48Å; L462-I471 HydrophobicContact CD2-CD1 3.87Å; L462-I471 HydrophobicContact CG-CD1 4.07Å; I471-C500 HydrophobicContact CB-CB 4.17Å; I471-C500 HydrophobicContact CG2-CB 3.98Å; I471-C500 WeakPolarHBondContact O-CB 3.35Å; I471-S501 PolarHBondContact O-N 2.67Å
472	I	97.4	Very high	89.3	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	131.9	178.8	-55.3	91.5	0	0	0	108.3	A438 Y439 L440 V441 A470 Y503 L516 I520 A523	A438-I472 HydrophobicContact CB-CD1 4.04Å; Y439-I472 PolarHBondContact O-N 3.11Å; L440-I472 HydrophobicContact CD1-CB 4.02Å; L440-I472 HydrophobicContact CD1-CG2 3.91Å; V441-I472 PolarHBondContact N-O 3.38Å; A470-I472 HydrophobicContact CB-CD1 3.99Å; I472-Y503 HydrophobicContact CG2-CD2 3.7Å; I472-Y503 HydrophobicContact CG2-CE2 3.91Å; I472-L516 HydrophobicContact CG2-CD1 3.85Å; I472-I520 HydrophobicContact CD1-CG1 4.46Å; I472-A523 HydrophobicContact CD1-CB 4.13Å; I472-A523 HydrophobicContact CG1-CB 4.12Å
473	L	98.2	Very high	89.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.1	173.4	177	63.7	0	0	0	109.4	V441 Y443 A454 I458 L494 A495 S501 F502 Y503	V441-L473 WeakPolarHBondContact O-CA 3.17Å; Y443-L473 HydrophobicContact CD1-CD1 3.66Å; Y443-L473 HydrophobicContact CD1-CG 4.4Å; Y443-L473 HydrophobicContact CE1-CD1 3.8Å; Y443-L473 HydrophobicContact CE1-CD2 4.3Å; Y443-L473 HydrophobicContact CE1-CG 4.05Å; A454-L473 HydrophobicContact CB-CD1 4.27Å; I458-L473 HydrophobicContact CD1-CB 4.13Å; I458-L473 HydrophobicContact CD1-CD1 3.9Å; I458-L473 HydrophobicContact CD1-CD2 4.45Å; I458-L473 HydrophobicContact CD1-CG 4.38Å; L473-L494 HydrophobicContact CD2-CB 4.16Å; L473-L494 HydrophobicContact CD2-CD2 3.87Å; L473-L494 HydrophobicContact CD2-CG 4.2Å; L473-A495 HydrophobicContact CD2-CB 4.27Å; L473-S501 PolarHBondContact N-O 2.77Å; L473-F502 HydrophobicContact CB-CD2 4.27Å; L473-F502 HydrophobicContact CD2-CD2 3.87Å; L473-F502 HydrophobicContact CD2-CE2 4.18Å; L473-F502 HydrophobicContact CG-CD2 3.91Å; L473-F502 HydrophobicContact CG-CE2 4.25Å; L473-F502 WeakPolarHBondContact O-CA 3.37Å; L473-Y503 PolarHBondContact O-N 3.08Å
474	A	98.3	Very high	90.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131.4	175.2	0	0	0	0	0	112.1	L440 V441 I442 Y443 Y503 I505 L516	L440-A474 HydrophobicContact CD1-CB 3.87Å; V441-A474 PolarHBondContact O-N 2.85Å; I442-A474 WeakPolarHBondContact CA-O 3.25Å; I442-A474 HydrophobicContact CG1-CB 4.3Å; Y443-A474 WeakPolarHBondContact CD1-O 3.48Å; Y443-A474 PolarHBondContact N-O 3.28Å; A474-Y503 CarbonylContact C-O 3.48Å; A474-Y503 VanDerWaalsContact CA-O 3.32Å; A474-Y503 WeakPolarHBondContact CA-O 3.41Å; A474-I505 HydrophobicContact CB-CD1 4.35Å; A474-L516 HydrophobicContact CB-CD2 4.21Å
475	A	98.5	Very high	91.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	100.2	172.4	0	0	0	0	0	108.6	Y443 V445 F502 Y503 E504 I505	Y443-A475 HydrophobicContact CD1-CB 4.4Å; Y443-A475 HydrophobicContact CE1-CB 3.65Å; Y443-A475 HydrophobicContact CE2-CB 3.86Å; Y443-A475 WeakPolarHBondContact OH-CB 3.33Å; V445-A475 HydrophobicContact CG1-CB 3.87Å; A475-F502 HydrophobicContact CB-CE2 3.97Å; A475-F502 HydrophobicContact CB-CZ 3.93Å; A475-Y503 PolarHBondContact N-O 3.23Å; A475-E504 HydrophobicContact CB-CG 4.12Å; A475-I505 PolarHBondContact O-N 2.75Å
476	N	98.4	Very high	93.1	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	166.3	-179.6	-164.8	20.2	0	0	0	112.3	V370 I442 Y443 A444 V445 I505 T507	V370-N476 PolarHBondContact O-ND2 2.9Å; I442-N476 HydrophobicContact CG2-CB 3.96Å; Y443-N476 PolarHBondContact O-N 2.78Å; A444-N476 WeakPolarHBondContact CA-O 3.28Å; V445-N476 PolarHBondContact N-O 3.27Å; N476-I505 CarbonylContact C-O 3.57Å; N476-I505 WeakPolarHBondContact CA-O 3.34Å; N476-I505 HydrophobicContact CB-CD1 4.3Å; N476-I505 HydrophobicContact CB-CG1 4.06Å; N476-T507 PolarHBondContact ND2-OG1 2.87Å; N476-T507 WeakPolarHBondContact OD1-CG2 3.41Å; N476-T507 PolarHBondContact OD1-N 3.02Å; N476-T507 VanDerWaalsContact OD1-N 3.11Å; N476-T507 PolarHBondContact OD1-OG1 2.84Å
477	K	97.9	Very high	94.6	Very high	44 Å²	44	48 Å²	48	19%	0.191	24%	0.242	C	C	.	.			trans	64.8	34.7	-176.9	-42.3	-176.4	-160.2	151.2	0	113.5	A444 V445 D446 D479 L480 I505	A444-K477 HydrophobicContact CB-CD 3.92Å; A444-K477 HydrophobicContact CB-CG 4.17Å; V445-K477 HydrophobicContact CG2-CB 4.47Å; V445-K477 WeakPolarHBondContact CG2-O 3.16Å; D446-K477 WeakPolarHBondContact OD1-CD 3.39Å; D446-K477 IonicContact OD1-NZ 3.74Å; D446-K477 PolarHBondContact OD1-NZ 3.49Å; D446-K477 WeakPolarHBondContact OD2-CD 3.33Å; D446-K477 IonicContact OD2-NZ 2.69Å; D446-K477 PolarHBondContact OD2-NZ 3.45Å; K477-D479 WeakPolarHBondContact CA-OD1 3.27Å; K477-D479 PolarHBondContact O-N 3.22Å; K477-L480 HydrophobicContact CB-CD1 3.79Å; K477-L480 HydrophobicContact CB-CG 3.99Å; K477-L480 HydrophobicContact CD-CD1 3.64Å; K477-L480 HydrophobicContact CG-CD1 4.34Å; K477-L480 WeakPolarHBondContact O-CB 3.38Å; K477-L480 PolarHBondContact O-N 3.13Å; K477-I505 PolarHBondContact N-O 3.35Å
478	S	97.4	Very high	96.1	Very high	17 Å²	17	44.2 Å²	44.2	12%	0.119	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-19.2	-178.3	69.9	0	0	0	0	114.3	L480 I505	S478-L480 VanDerWaalsContact C-N 3.32Å; S478-I505 VanDerWaalsContact CB-O 3.3Å; S478-I505 WeakPolarHBondContact CB-O 3.34Å; S478-I505 PolarHBondContact N-O 3.02Å; S478-I505 PolarHBondContact OG-O 3.11Å
479	D	97.2	Very high	97	Very high	58 Å²	58	46 Å²	46	31%	0.31	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.3	171.3	55	-53.7	0	0	0	114.2	K477 V481 S506 S508 I509	K477-D479 WeakPolarHBondContact CA-OD1 3.27Å; K477-D479 PolarHBondContact O-N 3.22Å; D479-V481 PolarHBondContact O-N 3.02Å; D479-S506 VanDerWaalsContact CG-OG 3.24Å; D479-S506 WeakPolarHBondContact OD1-CB 3.17Å; D479-S506 PolarHBondContact OD1-OG 2.85Å; D479-S508 VanDerWaalsContact CG-OG 3.28Å; D479-S508 PolarHBondContact OD1-OG 3.04Å; D479-S508 PolarHBondContact OD2-OG 3.41Å; D479-I509 HydrophobicContact CB-CD1 3.99Å; D479-I509 HydrophobicContact CB-CG1 4.36Å
480	L	96.9	Very high	97.3	Very high	59 Å²	59	48.3 Å²	48.3	31%	0.309	25%	0.247	S	C	.	.			trans	-79.1	48	-178.4	-62.5	-173.7	0	0	0	113.4	D446 K477 S478 R482 T483 R484	D446-L480 HydrophobicContact CB-CD1 4.03Å; K477-L480 HydrophobicContact CB-CD1 3.79Å; K477-L480 HydrophobicContact CB-CG 3.99Å; K477-L480 HydrophobicContact CD-CD1 3.64Å; K477-L480 HydrophobicContact CG-CD1 4.34Å; K477-L480 WeakPolarHBondContact O-CB 3.38Å; K477-L480 PolarHBondContact O-N 3.13Å; S478-L480 VanDerWaalsContact C-N 3.32Å; L480-R482 PolarHBondContact O-N 3.16Å; L480-R482 VanDerWaalsContact O-N 3.13Å; L480-T483 CarbonylContact O-C 3.59Å; L480-T483 PolarHBondContact O-N 3.22Å; L480-R484 PolarHBondContact O-N 2.78Å; L480-R484 VanDerWaalsContact O-N 3.07Å
481	V	95.9	Very high	97.4	Very high	109 Å²	109	48.1 Å²	48.1	66%	0.661	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-53.3	-37.4	-175.8	-177.9	0	0	0	0	112.8	D479	D479-V481 PolarHBondContact O-N 3.02Å
482	R	97.1	Very high	97.5	Very high	251 Å²	251	51.7 Å²	51.7	95%	0.947	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-74.4	-23.3	-178.4	-68.6	-178.9	179.6	147.3	-0.6	114.5	L480	L480-R482 PolarHBondContact O-N 3.16Å; L480-R482 VanDerWaalsContact O-N 3.13Å
483	T	97.2	Very high	97.6	Very high	81 Å²	81	54.7 Å²	54.7	50%	0.497	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-116.2	14.3	-178.5	57.9	0	0	0	0	112.2	D446 L480 V485	D446-T483 WeakPolarHBondContact CA-O 3.23Å; L480-T483 CarbonylContact O-C 3.59Å; L480-T483 PolarHBondContact O-N 3.22Å; T483-V485 PolarHBondContact O-N 2.97Å
484	R	98.3	Very high	97.5	Very high	62 Å²	62	55 Å²	55	23%	0.234	28%	0.278	C	S	.	.			trans	-67	119.8	178.2	175.9	178.2	-77.5	-110.5	21.3	110.8	V445 L480 V486 S488 E504	V445-R484 HydrophobicContact CB-CG 4.18Å; V445-R484 HydrophobicContact CG2-CG 4.44Å; V445-R484 CarbonylContact O-C 3.59Å; V445-R484 WeakPolarHBondContact O-CA 3.36Å; L480-R484 PolarHBondContact O-N 2.78Å; L480-R484 VanDerWaalsContact O-N 3.07Å; R484-V486 VanDerWaalsContact CD-O 3.31Å; R484-V486 WeakPolarHBondContact CD-O 3.34Å; R484-V486 WeakPolarHBondContact CG-O 3.37Å; R484-V486 PolarHBondContact NH1-O 2.98Å; R484-V486 VanDerWaalsContact NH1-O 3.09Å; R484-S488 PolarHBondContact NH1-OG 3.34Å; R484-E504 IonicContact CZ-OE1 2.76Å; R484-E504 IonicContact CZ-OE2 3.99Å; R484-E504 IonicContact NH1-OE1 2.67Å; R484-E504 PolarHBondContact NH1-OE1 3.12Å; R484-E504 IonicContact NH1-OE2 3.51Å; R484-E504 IonicContact NH2-OE1 2.67Å; R484-E504 PolarHBondContact NH2-OE1 2.79Å; R484-E504 IonicContact NH2-OE2 3.36Å; R484-E504 PolarHBondContact NH2-OE2 3.1Å
485	V	98	Very high	97.4	Very high	69 Å²	69	55.2 Å²	55.2	42%	0.418	28%	0.28	S	S	.	.			trans	-111.8	-4.1	176.6	-60.3	0	0	0	0	113.4	V445 D446 R448 T483	V445-V485 PolarHBondContact O-N 3.39Å; D446-V485 VanDerWaalsContact C-CG2 3.48Å; D446-V485 WeakPolarHBondContact O-CG2 3.43Å; R448-V485 HydrophobicContact CB-CG2 3.88Å; R448-V485 PolarHBondContact NH1-O 2.98Å; T483-V485 PolarHBondContact O-N 2.97Å
486	V	97.8	Very high	97.3	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	-121.7	119.5	171.6	-171.6	0	0	0	0	108.9	Y443 V445 R448 F451 R484 D490	Y443-V486 HydrophobicContact CE2-CB 4Å; Y443-V486 HydrophobicContact CE2-CG1 3.66Å; Y443-V486 HydrophobicContact CE2-CG2 4.3Å; V445-V486 PolarHBondContact O-N 3.47Å; R448-V486 HydrophobicContact CB-CG2 4.36Å; R448-V486 HydrophobicContact CG-CG2 4.24Å; F451-V486 HydrophobicContact CB-CG1 4.41Å; F451-V486 HydrophobicContact CB-CG2 3.84Å; F451-V486 HydrophobicContact CD1-CG1 4.18Å; F451-V486 HydrophobicContact CD2-CG1 3.74Å; F451-V486 HydrophobicContact CE1-CG1 4.36Å; F451-V486 HydrophobicContact CE2-CG1 3.93Å; F451-V486 HydrophobicContact CG-CG1 3.85Å; F451-V486 HydrophobicContact CG-CG2 4.13Å; F451-V486 HydrophobicContact CZ-CG1 4.24Å; R484-V486 VanDerWaalsContact CD-O 3.31Å; R484-V486 WeakPolarHBondContact CD-O 3.34Å; R484-V486 WeakPolarHBondContact CG-O 3.37Å; R484-V486 PolarHBondContact NH1-O 2.98Å; R484-V486 VanDerWaalsContact NH1-O 3.09Å; V486-D490 HydrophobicContact CG1-CB 3.86Å
487	S	97.5	Very high	97.1	Very high	49 Å²	49	65.9 Å²	65.9	34%	0.343	33%	0.332	S	S	.	.			trans	-72.9	154.4	179.1	74.3	0	0	0	0	111.1	E489 D490 G491	S487-E489 PolarHBondContact O-N 3.41Å; S487-E489 VanDerWaalsContact O-N 3.14Å; S487-E489 PolarHBondContact OG-N 3.26Å; S487-D490 VanDerWaalsContact CB-OD2 3.29Å; S487-D490 WeakPolarHBondContact CB-OD2 3.4Å; S487-D490 PolarHBondContact N-OD2 3.05Å; S487-D490 WeakPolarHBondContact O-CB 3.25Å; S487-D490 PolarHBondContact O-N 2.61Å; S487-D490 PolarHBondContact OG-N 2.96Å; S487-D490 PolarHBondContact OG-OD2 2.78Å; S487-G491 PolarHBondContact O-N 3.25Å
488	S	97	Very high	96.8	Very high	38 Å²	38	66.3 Å²	66.3	27%	0.266	33%	0.333	S	S	.	.	H	α-helix	trans	-60.6	-21.3	172	-44.2	0	0	0	0	112.2	R484 K492 E504	R484-S488 PolarHBondContact NH1-OG 3.34Å; S488-K492 WeakPolarHBondContact O-CD 3.22Å; S488-K492 VanDerWaalsContact O-CG 3.23Å; S488-K492 WeakPolarHBondContact O-CG 3.46Å; S488-K492 PolarHBondContact O-N 3.32Å; S488-K492 VanDerWaalsContact O-N 3.15Å; S488-E504 VanDerWaalsContact CA-OE1 3.23Å; S488-E504 WeakPolarHBondContact CA-OE1 3.44Å; S488-E504 VanDerWaalsContact CB-OE1 3.29Å; S488-E504 WeakPolarHBondContact CB-OE1 3.33Å; S488-E504 PolarHBondContact OG-OE1 3.29Å; S488-E504 PolarHBondContact OG-OE2 2.8Å
489	E	97.5	Very high	96.6	Very high	96 Å²	96	71 Å²	71	45%	0.449	37%	0.365	S	S	.	.	H	α-helix	trans	-80.6	-36.9	177.8	-164.3	53.1	-148.1	0	0	111.8	S487 G491 K492 N493	S487-E489 PolarHBondContact O-N 3.41Å; S487-E489 VanDerWaalsContact O-N 3.14Å; S487-E489 PolarHBondContact OG-N 3.26Å; E489-G491 VanDerWaalsContact C-N 3.3Å; E489-G491 PolarHBondContact O-N 3.35Å; E489-K492 PolarHBondContact O-N 3.06Å; E489-K492 IonicContact OE2-NZ 3.99Å; E489-N493 WeakPolarHBondContact CG-ND2 3.39Å; E489-N493 WeakPolarHBondContact O-CB 3.26Å; E489-N493 PolarHBondContact O-N 3.42Å; E489-N493 PolarHBondContact O-ND2 2.89Å; E489-N493 PolarHBondContact OE1-ND2 2.76Å
490	D	97.3	Very high	96.4	Very high	57 Å²	57	69.3 Å²	69.3	31%	0.305	36%	0.358	S	S	.	.	H	α-helix	trans	-57.1	-45.1	169.7	-64.7	-66.7	0	0	0	110.7	F451 V486 S487 L494	F451-D490 HydrophobicContact CE1-CB 4.28Å; F451-D490 HydrophobicContact CE2-CB 4.45Å; F451-D490 HydrophobicContact CZ-CB 3.82Å; V486-D490 HydrophobicContact CG1-CB 3.86Å; S487-D490 VanDerWaalsContact CB-OD2 3.29Å; S487-D490 WeakPolarHBondContact CB-OD2 3.4Å; S487-D490 PolarHBondContact N-OD2 3.05Å; S487-D490 WeakPolarHBondContact O-CB 3.25Å; S487-D490 PolarHBondContact O-N 2.61Å; S487-D490 PolarHBondContact OG-N 2.96Å; S487-D490 PolarHBondContact OG-OD2 2.78Å; D490-L494 WeakPolarHBondContact O-CB 3.16Å; D490-L494 PolarHBondContact O-N 2.65Å
491	G	97.2	Very high	96.3	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-63.9	-47.1	178.4	0	0	0	0	0	113.5	Y443 S487 E489 L494 A495	Y443-G491 VanDerWaalsContact OH-CA 3.31Å; Y443-G491 WeakPolarHBondContact OH-CA 3.38Å; S487-G491 PolarHBondContact O-N 3.25Å; E489-G491 VanDerWaalsContact C-N 3.3Å; E489-G491 PolarHBondContact O-N 3.35Å; G491-L494 PolarHBondContact O-N 3.48Å; G491-A495 PolarHBondContact O-N 3.17Å
492	K	97.6	Very high	96.4	Very high	94 Å²	94	65.5 Å²	65.5	41%	0.409	34%	0.336	S	S	.	.	H	α-helix	trans	-61	-45.7	174.9	-73.8	168.1	-173.4	175	0	112.4	S488 E489 L494 A495 Q496 F502	S488-K492 WeakPolarHBondContact O-CD 3.22Å; S488-K492 VanDerWaalsContact O-CG 3.23Å; S488-K492 WeakPolarHBondContact O-CG 3.46Å; S488-K492 PolarHBondContact O-N 3.32Å; S488-K492 VanDerWaalsContact O-N 3.15Å; E489-K492 PolarHBondContact O-N 3.06Å; E489-K492 IonicContact OE2-NZ 3.99Å; K492-L494 VanDerWaalsContact C-N 3.34Å; K492-L494 PolarHBondContact O-N 3.16Å; K492-A495 PolarHBondContact O-N 3.26Å; K492-Q496 WeakPolarHBondContact O-CG 3.3Å; K492-Q496 PolarHBondContact O-N 2.92Å; K492-F502 HydrophobicContact CG-CD1 3.72Å; K492-F502 HydrophobicContact CG-CE1 3.83Å
493	N	97.8	Very high	96.4	Very high	63 Å²	63	54 Å²	54	34%	0.337	29%	0.292	S	S	.	.	H	α-helix	trans	-65.4	-39.1	179.4	-79.1	-74.4	0	0	0	111.3	E489 A495 Q496 I497	E489-N493 WeakPolarHBondContact CG-ND2 3.39Å; E489-N493 WeakPolarHBondContact O-CB 3.26Å; E489-N493 PolarHBondContact O-N 3.42Å; E489-N493 PolarHBondContact O-ND2 2.89Å; E489-N493 PolarHBondContact OE1-ND2 2.76Å; N493-A495 VanDerWaalsContact C-N 3.32Å; N493-A495 PolarHBondContact O-N 3.49Å; N493-Q496 PolarHBondContact O-N 3.03Å; N493-I497 WeakPolarHBondContact O-CB 3.35Å; N493-I497 WeakPolarHBondContact O-CD1 3.37Å; N493-I497 WeakPolarHBondContact O-CG1 3.23Å; N493-I497 PolarHBondContact O-N 2.84Å
494	L	96.9	Very high	96.5	Very high	8 Å²	8	51.6 Å²	51.6	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-58.6	-45.3	173.3	-167.7	67.1	0	0	0	111.6	F451 R455 L473 D490 G491 K492 I497 Y498	F451-L494 HydrophobicContact CD2-CD2 4.11Å; F451-L494 HydrophobicContact CE2-CB 4.19Å; F451-L494 HydrophobicContact CE2-CD2 3.48Å; F451-L494 VanDerWaalsContact CE2-CD2 3.48Å; F451-L494 HydrophobicContact CE2-CG 4.41Å; F451-L494 HydrophobicContact CZ-CB 4.15Å; F451-L494 HydrophobicContact CZ-CD2 3.84Å; F451-L494 HydrophobicContact CZ-CG 4.44Å; R455-L494 HydrophobicContact CB-CD1 3.92Å; R455-L494 HydrophobicContact CB-CD2 3.99Å; R455-L494 HydrophobicContact CG-CD1 3.79Å; L473-L494 HydrophobicContact CD2-CB 4.16Å; L473-L494 HydrophobicContact CD2-CD2 3.87Å; L473-L494 HydrophobicContact CD2-CG 4.2Å; D490-L494 WeakPolarHBondContact O-CB 3.16Å; D490-L494 PolarHBondContact O-N 2.65Å; G491-L494 PolarHBondContact O-N 3.48Å; K492-L494 VanDerWaalsContact C-N 3.34Å; K492-L494 PolarHBondContact O-N 3.16Å; L494-I497 PolarHBondContact O-N 2.77Å; L494-Y498 HydrophobicContact CD1-CD2 4Å; L494-Y498 HydrophobicContact CD1-CE2 3.58Å; L494-Y498 HydrophobicContact CG-CD2 4.17Å; L494-Y498 HydrophobicContact CG-CE2 4.21Å; L494-Y498 VanDerWaalsContact O-CD2 3.29Å; L494-Y498 WeakPolarHBondContact O-CD2 3.44Å; L494-Y498 PolarHBondContact O-N 2.86Å
495	A	96.5	Very high	96.5	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.033	26%	0.264	C	S	.	.	H	α-helix	trans	-66.5	-39.3	178.1	0	0	0	0	0	113.3	L473 G491 K492 N493 Y498 S499 C500 F502	L473-A495 HydrophobicContact CD2-CB 4.27Å; G491-A495 PolarHBondContact O-N 3.17Å; K492-A495 PolarHBondContact O-N 3.26Å; N493-A495 VanDerWaalsContact C-N 3.32Å; N493-A495 PolarHBondContact O-N 3.49Å; A495-Y498 CarbonylContact O-C 3.48Å; A495-Y498 PolarHBondContact O-N 3.29Å; A495-S499 WeakPolarHBondContact O-CA 3.46Å; A495-S499 PolarHBondContact O-N 2.96Å; A495-C500 PolarHBondContact O-N 2.83Å; A495-F502 HydrophobicContact CB-CB 3.67Å; A495-F502 HydrophobicContact CB-CD2 4.39Å; A495-F502 HydrophobicContact CB-CG 4.28Å
496	Q	95.9	Very high	96.4	Very high	108 Å²	108	45.4 Å²	45.4	51%	0.505	25%	0.245	S	C	.	.	H	α-helix	trans	-63.5	-46.3	174.6	-72.6	177.2	28.9	0	0	112	K492 N493 Y498 S499	K492-Q496 WeakPolarHBondContact O-CG 3.3Å; K492-Q496 PolarHBondContact O-N 2.92Å; N493-Q496 PolarHBondContact O-N 3.03Å; Q496-Y498 PolarHBondContact O-N 3.1Å; Q496-S499 PolarHBondContact O-N 3.33Å; Q496-S499 VanDerWaalsContact O-N 3.14Å
497	I	94.7	Very high	96.3	Very high	117 Å²	117	45.9 Å²	45.9	60%	0.6	25%	0.248	S	C	*	.	H	α-helix	trans	-56.1	-39.7	178.2	-73.1	163.8	0	0	0	111.5	N493 L494	N493-I497 WeakPolarHBondContact O-CB 3.35Å; N493-I497 WeakPolarHBondContact O-CD1 3.37Å; N493-I497 WeakPolarHBondContact O-CG1 3.23Å; N493-I497 PolarHBondContact O-N 2.84Å; L494-I497 PolarHBondContact O-N 2.77Å
498	Y	92.1	Very high	96	Very high	53 Å²	53	47.1 Å²	47.1	21%	0.208	26%	0.256	C	S	.	.	H	α-helix	trans	-96.7	-1.9	-179.7	-67.2	-58.7	0	0	0	114.6	R455 I458 L462 L494 A495 Q496 C500	R455-Y498 HydrophobicContact CG-CE2 4.16Å; I458-Y498 HydrophobicContact CB-CD2 4.31Å; I458-Y498 HydrophobicContact CG2-CD1 4.02Å; I458-Y498 HydrophobicContact CG2-CD2 3.57Å; I458-Y498 HydrophobicContact CG2-CE2 4.22Å; I458-Y498 HydrophobicContact CG2-CG 3.46Å; I458-Y498 VanDerWaalsContact CG2-CG 3.46Å; L462-Y498 HydrophobicContact CD1-CD1 3.48Å; L462-Y498 VanDerWaalsContact CD1-CD1 3.48Å; L462-Y498 HydrophobicContact CD1-CE1 4.39Å; L462-Y498 HydrophobicContact CD1-CG 3.98Å; L494-Y498 HydrophobicContact CD1-CD2 4Å; L494-Y498 HydrophobicContact CD1-CE2 3.58Å; L494-Y498 HydrophobicContact CG-CD2 4.17Å; L494-Y498 HydrophobicContact CG-CE2 4.21Å; L494-Y498 VanDerWaalsContact O-CD2 3.29Å; L494-Y498 WeakPolarHBondContact O-CD2 3.44Å; L494-Y498 PolarHBondContact O-N 2.86Å; A495-Y498 CarbonylContact O-C 3.48Å; A495-Y498 PolarHBondContact O-N 3.29Å; Q496-Y498 PolarHBondContact O-N 3.1Å; Y498-C500 VanDerWaalsContact C-N 3.31Å; Y498-C500 PolarHBondContact O-N 3.03Å
499	S	92.3	Very high	95.8	Very high	115 Å²	115	50.5 Å²	50.5	80%	0.804	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	39.7	-177.7	-59.2	0	0	0	0	114.4	A495 Q496	A495-S499 WeakPolarHBondContact O-CA 3.46Å; A495-S499 PolarHBondContact O-N 2.96Å; Q496-S499 PolarHBondContact O-N 3.33Å; Q496-S499 VanDerWaalsContact O-N 3.14Å
500	C	92.7	Very high	95.6	Very high	22 Å²	22	48.3 Å²	48.3	15%	0.149	26%	0.262	C	S	.	.			trans	-107.8	165.1	175.7	60.4	0	0	0	0	112.5	I471 A495 Y498	I471-C500 HydrophobicContact CB-CB 4.17Å; I471-C500 HydrophobicContact CG2-CB 3.98Å; I471-C500 WeakPolarHBondContact O-CB 3.35Å; A495-C500 PolarHBondContact O-N 2.83Å; Y498-C500 VanDerWaalsContact C-N 3.31Å; Y498-C500 PolarHBondContact O-N 3.03Å
501	S	95.1	Very high	95.5	Very high	45 Å²	45	49.9 Å²	49.9	32%	0.315	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	145.3	177.4	-54	0	0	0	0	111.6	I471 L473	I471-S501 PolarHBondContact O-N 2.67Å; L473-S501 PolarHBondContact N-O 2.77Å
502	F	97.8	Very high	95.3	Very high	44 Å²	44	53.4 Å²	53.4	19%	0.193	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.5	-178.6	-177	-112.9	0	0	0	113.2	Y443 L473 A475 K492 A495 E504	Y443-F502 HydrophobicContact CE1-CE2 4.22Å; L473-F502 HydrophobicContact CB-CD2 4.27Å; L473-F502 HydrophobicContact CD2-CD2 3.87Å; L473-F502 HydrophobicContact CD2-CE2 4.18Å; L473-F502 HydrophobicContact CG-CD2 3.91Å; L473-F502 HydrophobicContact CG-CE2 4.25Å; L473-F502 WeakPolarHBondContact O-CA 3.37Å; A475-F502 HydrophobicContact CB-CE2 3.97Å; A475-F502 HydrophobicContact CB-CZ 3.93Å; K492-F502 HydrophobicContact CG-CD1 3.72Å; K492-F502 HydrophobicContact CG-CE1 3.83Å; A495-F502 HydrophobicContact CB-CB 3.67Å; A495-F502 HydrophobicContact CB-CD2 4.39Å; A495-F502 HydrophobicContact CB-CG 4.28Å; F502-E504 HydrophobicContact CE1-CG 3.63Å; F502-E504 HydrophobicContact CZ-CG 3.68Å
503	Y	98.2	Very high	95.2	Very high	9 Å²	9	49.1 Å²	49.1	4%	0.035	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	123.5	174.8	-65	-97.3	0	0	0	110.6	I472 L473 A474 A475 D515 L516 G519	I472-Y503 HydrophobicContact CG2-CD2 3.7Å; I472-Y503 HydrophobicContact CG2-CE2 3.91Å; L473-Y503 PolarHBondContact O-N 3.08Å; A474-Y503 CarbonylContact C-O 3.48Å; A474-Y503 VanDerWaalsContact CA-O 3.32Å; A474-Y503 WeakPolarHBondContact CA-O 3.41Å; A475-Y503 PolarHBondContact N-O 3.23Å; Y503-D515 HydrophobicContact CD1-CB 4.41Å; Y503-D515 HydrophobicContact CE1-CB 4.33Å; Y503-L516 HydrophobicContact CD1-CB 4.28Å; Y503-L516 HydrophobicContact CD1-CD1 4.43Å; Y503-L516 HydrophobicContact CD2-CD1 3.65Å; Y503-L516 HydrophobicContact CE2-CD1 4.17Å; Y503-L516 HydrophobicContact CG-CB 4.38Å; Y503-L516 HydrophobicContact CG-CD1 3.84Å; Y503-G519 WeakPolarHBondContact OH-CA 3.43Å
504	E	98	Very high	94.9	Very high	31 Å²	31	48.7 Å²	48.7	15%	0.145	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	129	155.7	-61.2	-141.2	139	0	0	108.5	A475 R484 S488 F502 R512	A475-E504 HydrophobicContact CB-CG 4.12Å; R484-E504 IonicContact CZ-OE1 2.76Å; R484-E504 IonicContact CZ-OE2 3.99Å; R484-E504 IonicContact NH1-OE1 2.67Å; R484-E504 PolarHBondContact NH1-OE1 3.12Å; R484-E504 IonicContact NH1-OE2 3.51Å; R484-E504 IonicContact NH2-OE1 2.67Å; R484-E504 PolarHBondContact NH2-OE1 2.79Å; R484-E504 IonicContact NH2-OE2 3.36Å; R484-E504 PolarHBondContact NH2-OE2 3.1Å; S488-E504 VanDerWaalsContact CA-OE1 3.23Å; S488-E504 WeakPolarHBondContact CA-OE1 3.44Å; S488-E504 VanDerWaalsContact CB-OE1 3.29Å; S488-E504 WeakPolarHBondContact CB-OE1 3.33Å; S488-E504 PolarHBondContact OG-OE1 3.29Å; S488-E504 PolarHBondContact OG-OE2 2.8Å; F502-E504 HydrophobicContact CE1-CG 3.63Å; F502-E504 HydrophobicContact CZ-CG 3.68Å; E504-R512 PolarHBondContact O-NH1 3.07Å
505	I	97.8	Very high	94.8	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.272	C	S	.	.			trans	-135.1	163.8	-177.6	68.3	172.2	0	0	0	110.7	M375 A474 A475 N476 K477 S478 T507 H511 R512 L516	M375-I505 HydrophobicContact CG-CD1 4.47Å; M375-I505 HydrophobicContact SD-CD1 4.26Å; A474-I505 HydrophobicContact CB-CD1 4.35Å; A475-I505 PolarHBondContact O-N 2.75Å; N476-I505 CarbonylContact C-O 3.57Å; N476-I505 WeakPolarHBondContact CA-O 3.34Å; N476-I505 HydrophobicContact CB-CD1 4.3Å; N476-I505 HydrophobicContact CB-CG1 4.06Å; K477-I505 PolarHBondContact N-O 3.35Å; S478-I505 VanDerWaalsContact CB-O 3.3Å; S478-I505 WeakPolarHBondContact CB-O 3.34Å; S478-I505 PolarHBondContact N-O 3.02Å; S478-I505 PolarHBondContact OG-O 3.11Å; I505-T507 HydrophobicContact CD1-CG2 4.19Å; I505-H511 WeakPolarHBondContact CA-O 3.26Å; I505-R512 HydrophobicContact CG2-CB 4.28Å; I505-L516 HydrophobicContact CD1-CD2 3.79Å; I505-L516 HydrophobicContact CG2-CB 4.25Å; I505-L516 HydrophobicContact CG2-CD2 4.1Å
506	S	97.1	Very high	94.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-137.2	120.8	157.7	178.7	0	0	0	0	112	D479 S508 N510 H511	D479-S506 VanDerWaalsContact CG-OG 3.24Å; D479-S506 WeakPolarHBondContact OD1-CB 3.17Å; D479-S506 PolarHBondContact OD1-OG 2.85Å; S506-S508 VanDerWaalsContact C-N 3.31Å; S506-S508 PolarHBondContact OG-N 2.84Å; S506-S508 PolarHBondContact OG-OG 3.4Å; S506-N510 WeakPolarHBondContact O-CA 3.32Å; S506-N510 PolarHBondContact O-N 3.14Å; S506-N510 VanDerWaalsContact O-N 3.08Å; S506-H511 PolarHBondContact N-O 3.5Å; S506-H511 PolarHBondContact O-N 2.92Å
507	T	94.5	Very high	94.6	Very high	11 Å²	11	46.3 Å²	46.3	7%	0.067	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-12.6	175.6	57.8	0	0	0	0	113.8	M375 Q378 N476 I505	M375-T507 HydrophobicContact CB-CG2 3.53Å; M375-T507 HydrophobicContact CG-CG2 3.98Å; Q378-T507 PolarHBondContact NE2-O 3.3Å; N476-T507 PolarHBondContact ND2-OG1 2.87Å; N476-T507 WeakPolarHBondContact OD1-CG2 3.41Å; N476-T507 PolarHBondContact OD1-N 3.02Å; N476-T507 VanDerWaalsContact OD1-N 3.11Å; N476-T507 PolarHBondContact OD1-OG1 2.84Å; I505-T507 HydrophobicContact CD1-CG2 4.19Å
508	S	92.8	Very high	94.5	Very high	74 Å²	74	42.3 Å²	42.3	52%	0.517	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-34.3	177.7	62.9	0	0	0	0	111.9	D479 S506	D479-S508 VanDerWaalsContact CG-OG 3.28Å; D479-S508 PolarHBondContact OD1-OG 3.04Å; D479-S508 PolarHBondContact OD2-OG 3.41Å; S506-S508 VanDerWaalsContact C-N 3.31Å; S506-S508 PolarHBondContact OG-N 2.84Å; S506-S508 PolarHBondContact OG-OG 3.4Å
509	I	92.9	Very high	94.6	Very high	110 Å²	110	39.9 Å²	39.9	56%	0.564	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.1	11.2	-176.3	61	162.3	0	0	0	113.8	D479 H511	D479-I509 HydrophobicContact CB-CD1 3.99Å; D479-I509 HydrophobicContact CB-CG1 4.36Å; I509-H511 VanDerWaalsContact C-N 3.28Å; I509-H511 HydrophobicContact CD1-CB 4.03Å; I509-H511 HydrophobicContact CG1-CB 4Å; I509-H511 PolarHBondContact O-N 3.18Å
510	N	92.1	Very high	94.7	Very high	50 Å²	50	34.4 Å²	34.4	27%	0.267	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	46.3	-176.4	-70	-6.9	0	0	0	113.9	R226 Q378 S506	R226-N510 PolarHBondContact NH2-O 3.43Å; Q378-N510 VanDerWaalsContact CD-ND2 3.31Å; Q378-N510 VanDerWaalsContact CG-OD1 3.23Å; Q378-N510 WeakPolarHBondContact CG-OD1 3.39Å; Q378-N510 PolarHBondContact NE2-OD1 3.46Å; Q378-N510 PolarHBondContact OE1-ND2 3.29Å; Q378-N510 PolarHBondContact OE1-OD1 2.69Å; S506-N510 WeakPolarHBondContact O-CA 3.32Å; S506-N510 PolarHBondContact O-N 3.14Å; S506-N510 VanDerWaalsContact O-N 3.08Å
511	H	95	Very high	94.7	Very high	90 Å²	90	33.6 Å²	33.6	42%	0.417	18%	0.177	S	C	.	.	B	Isolated β-bridge	trans	-88	116.1	173.1	-174.6	74.4	0	0	0	109.7	I505 S506 I509 V513	I505-H511 WeakPolarHBondContact CA-O 3.26Å; S506-H511 PolarHBondContact N-O 3.5Å; S506-H511 PolarHBondContact O-N 2.92Å; I509-H511 VanDerWaalsContact C-N 3.28Å; I509-H511 HydrophobicContact CD1-CB 4.03Å; I509-H511 HydrophobicContact CG1-CB 4Å; I509-H511 PolarHBondContact O-N 3.18Å; H511-V513 PolarHBondContact O-N 2.99Å; H511-V513 VanDerWaalsContact O-N 3.1Å
512	R	94.4	Very high	94.6	Very high	74 Å²	74	34.8 Å²	34.8	28%	0.279	18%	0.179	S	C	.	.	S	Bend	trans	58.2	19.1	175.8	-54.6	-169.6	71.4	-127	-8.2	116.1	E504 I505 D515 L516	E504-R512 PolarHBondContact O-NH1 3.07Å; I505-R512 HydrophobicContact CG2-CB 4.28Å; R512-D515 HydrophobicContact CB-CB 4.13Å; R512-D515 IonicContact CZ-OD2 2.76Å; R512-D515 IonicContact NE-OD2 3.57Å; R512-D515 PolarHBondContact NE-OD2 3.21Å; R512-D515 IonicContact NH2-OD2 3.58Å; R512-D515 PolarHBondContact NH2-OD2 3.43Å; R512-L516 PolarHBondContact O-N 3.43Å; R512-L516 VanDerWaalsContact O-N 3.12Å
513	V	94.4	Very high	94.4	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.018	18%	0.175	C	C	.	.	H	α-helix	trans	-66	-43.5	169.8	-179.8	0	0	0	0	109.6	Q378 F379 H511 L516 L517	Q378-V513 HydrophobicContact CB-CG1 4.1Å; F379-V513 HydrophobicContact CD1-CG1 3.72Å; F379-V513 HydrophobicContact CE1-CG1 3.46Å; F379-V513 VanDerWaalsContact CE1-CG1 3.46Å; F379-V513 HydrophobicContact CZ-CG1 4.45Å; H511-V513 PolarHBondContact O-N 2.99Å; H511-V513 VanDerWaalsContact O-N 3.1Å; V513-L516 PolarHBondContact O-N 3.04Å; V513-L517 PolarHBondContact O-N 3.47Å
514	D	91.8	Very high	94.2	Very high	54 Å²	54	32.8 Å²	32.8	29%	0.289	17%	0.173	S	C	.	.	H	α-helix	trans	-58.6	-47.9	174.5	-52.9	-39.2	0	0	0	111.2	R226 L516 L517 V518	R226-D514 IonicContact CZ-OD2 3.71Å; R226-D514 IonicContact NE-OD2 3.64Å; R226-D514 PolarHBondContact NE-OD2 3.39Å; R226-D514 VanDerWaalsContact NE-OD2 3.1Å; R226-D514 IonicContact NH2-OD2 3.99Å; R226-D514 PolarHBondContact NH2-OD2 3.09Å; D514-L516 VanDerWaalsContact C-N 3.31Å; D514-L516 PolarHBondContact O-N 3.47Å; D514-L517 PolarHBondContact O-N 3.25Å; D514-V518 PolarHBondContact O-N 2.85Å
515	D	94.1	Very high	93.8	Very high	57 Å²	57	32.9 Å²	32.9	31%	0.305	17%	0.173	S	C	.	.	H	α-helix	trans	-55.4	-42.3	174.3	-57.9	34.9	0	0	0	112.7	Y503 R512 G519	Y503-D515 HydrophobicContact CD1-CB 4.41Å; Y503-D515 HydrophobicContact CE1-CB 4.33Å; R512-D515 HydrophobicContact CB-CB 4.13Å; R512-D515 IonicContact CZ-OD2 2.76Å; R512-D515 IonicContact NE-OD2 3.57Å; R512-D515 PolarHBondContact NE-OD2 3.21Å; R512-D515 IonicContact NH2-OD2 3.58Å; R512-D515 PolarHBondContact NH2-OD2 3.43Å; D515-G519 PolarHBondContact O-N 3.39Å
516	L	95.8	Very high	93.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-69	-40.5	-178	173.6	59.9	0	0	0	111	M375 F379 L440 I472 A474 Y503 I505 R512 V513 D514 V518 G519 I520	M375-L516 HydrophobicContact SD-CD2 3.79Å; F379-L516 HydrophobicContact CZ-CD2 4.26Å; F379-L516 HydrophobicContact CZ-CG 4.31Å; L440-L516 HydrophobicContact CD1-CD1 4.1Å; L440-L516 HydrophobicContact CD1-CD2 4.39Å; L440-L516 HydrophobicContact CD2-CD2 4.23Å; I472-L516 HydrophobicContact CG2-CD1 3.85Å; A474-L516 HydrophobicContact CB-CD2 4.21Å; Y503-L516 HydrophobicContact CD1-CB 4.28Å; Y503-L516 HydrophobicContact CD1-CD1 4.43Å; Y503-L516 HydrophobicContact CD2-CD1 3.65Å; Y503-L516 HydrophobicContact CE2-CD1 4.17Å; Y503-L516 HydrophobicContact CG-CB 4.38Å; Y503-L516 HydrophobicContact CG-CD1 3.84Å; I505-L516 HydrophobicContact CD1-CD2 3.79Å; I505-L516 HydrophobicContact CG2-CB 4.25Å; I505-L516 HydrophobicContact CG2-CD2 4.1Å; R512-L516 PolarHBondContact O-N 3.43Å; R512-L516 VanDerWaalsContact O-N 3.12Å; V513-L516 PolarHBondContact O-N 3.04Å; D514-L516 VanDerWaalsContact C-N 3.31Å; D514-L516 PolarHBondContact O-N 3.47Å; L516-V518 PolarHBondContact O-N 2.98Å; L516-G519 CarbonylContact O-C 3.55Å; L516-G519 WeakPolarHBondContact O-CA 3.35Å; L516-G519 PolarHBondContact O-N 3.03Å; L516-G519 VanDerWaalsContact O-N 3.13Å; L516-I520 HydrophobicContact CD1-CD1 4.32Å; L516-I520 HydrophobicContact CD1-CG1 4.17Å; L516-I520 HydrophobicContact CG-CD1 4.2Å; L516-I520 WeakPolarHBondContact O-CD1 3.49Å; L516-I520 VanDerWaalsContact O-CG1 3.26Å; L516-I520 WeakPolarHBondContact O-CG1 3.5Å; L516-I520 PolarHBondContact O-N 2.92Å
517	L	93.5	Very high	93.1	Very high	13 Å²	13	38.6 Å²	38.6	7%	0.068	20%	0.199	C	C	.	.	H	α-helix	trans	-60.5	-45.6	177.1	-172.3	60.5	0	0	0	111.5	F379 V401 V403 L412 F414 V513 D514	F379-L517 HydrophobicContact CD1-CB 4.14Å; F379-L517 HydrophobicContact CD1-CD1 3.99Å; F379-L517 HydrophobicContact CD1-CD2 4.17Å; F379-L517 HydrophobicContact CD1-CG 4.33Å; F379-L517 HydrophobicContact CD2-CD1 4.49Å; F379-L517 HydrophobicContact CE1-CB 3.82Å; F379-L517 HydrophobicContact CE1-CD1 4.15Å; F379-L517 HydrophobicContact CE1-CG 4.43Å; F379-L517 HydrophobicContact CG-CD1 4.17Å; F379-L517 HydrophobicContact CZ-CD1 4.46Å; V401-L517 HydrophobicContact CG1-CD1 4.36Å; V401-L517 HydrophobicContact CG1-CD2 4.29Å; V403-L517 HydrophobicContact CG1-CD2 4.47Å; V403-L517 HydrophobicContact CG1-CG 4.47Å; V403-L517 HydrophobicContact CG2-CD1 4.07Å; V403-L517 HydrophobicContact CG2-CD2 3.88Å; V403-L517 HydrophobicContact CG2-CG 3.9Å; L412-L517 HydrophobicContact CD1-CD1 3.53Å; F414-L517 HydrophobicContact CE2-CD1 4.33Å; F414-L517 HydrophobicContact CZ-CD1 3.83Å; V513-L517 PolarHBondContact O-N 3.47Å; D514-L517 PolarHBondContact O-N 3.25Å
518	V	92.9	Very high	92.8	Very high	34 Å²	34	41 Å²	41	21%	0.206	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-43.5	171.5	170.6	0	0	0	0	111.2	I405 D514 L516 I520 L521 I522	I405-V518 HydrophobicContact CD1-CB 4.22Å; I405-V518 HydrophobicContact CD1-CG1 4.14Å; I405-V518 HydrophobicContact CD1-CG2 4.03Å; I405-V518 HydrophobicContact CG1-CG2 4.37Å; D514-V518 PolarHBondContact O-N 2.85Å; L516-V518 PolarHBondContact O-N 2.98Å; V518-I520 PolarHBondContact O-N 2.69Å; V518-L521 PolarHBondContact O-N 2.78Å; V518-I522 HydrophobicContact CG1-CD1 3.77Å; V518-I522 HydrophobicContact CG1-CG1 4.48Å; V518-I522 WeakPolarHBondContact O-CG1 3.08Å; V518-I522 PolarHBondContact O-N 2.96Å; V518-I522 VanDerWaalsContact O-N 3.08Å
519	G	93.8	Very high	92.6	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-39.7	179.8	0	0	0	0	0	114.6	Y503 D515 L516 I522 A523	Y503-G519 WeakPolarHBondContact OH-CA 3.43Å; D515-G519 PolarHBondContact O-N 3.39Å; L516-G519 CarbonylContact O-C 3.55Å; L516-G519 WeakPolarHBondContact O-CA 3.35Å; L516-G519 PolarHBondContact O-N 3.03Å; L516-G519 VanDerWaalsContact O-N 3.13Å; G519-I522 PolarHBondContact O-N 3.49Å; G519-A523 WeakPolarHBondContact O-CB 2.77Å; G519-A523 PolarHBondContact O-N 2.79Å
520	I	94.8	Very high	92.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.9	-47.3	176.2	-67.7	158	0	0	0	110.3	V362 F379 L412 F414 A438 L440 I472 L516 V518 A523 I524	V362-I520 HydrophobicContact CG1-CG2 4.46Å; V362-I520 HydrophobicContact CG2-CG2 3.9Å; F379-I520 HydrophobicContact CE2-CD1 4.49Å; F379-I520 HydrophobicContact CZ-CD1 4.35Å; L412-I520 HydrophobicContact CD2-CG2 4.28Å; F414-I520 HydrophobicContact CE1-CD1 4.18Å; A438-I520 HydrophobicContact CB-CG2 4.29Å; L440-I520 HydrophobicContact CD2-CD1 3.81Å; I472-I520 HydrophobicContact CD1-CG1 4.46Å; L516-I520 HydrophobicContact CD1-CD1 4.32Å; L516-I520 HydrophobicContact CD1-CG1 4.17Å; L516-I520 HydrophobicContact CG-CD1 4.2Å; L516-I520 WeakPolarHBondContact O-CD1 3.49Å; L516-I520 VanDerWaalsContact O-CG1 3.26Å; L516-I520 WeakPolarHBondContact O-CG1 3.5Å; L516-I520 PolarHBondContact O-N 2.92Å; V518-I520 PolarHBondContact O-N 2.69Å; I520-A523 PolarHBondContact O-N 3.29Å; I520-I524 HydrophobicContact CG2-CD1 3.82Å; I520-I524 HydrophobicContact CG2-CG1 4.48Å; I520-I524 VanDerWaalsContact O-CG1 3.31Å; I520-I524 WeakPolarHBondContact O-CG1 3.36Å; I520-I524 PolarHBondContact O-N 3.43Å
521	L	92.7	Very high	92.2	Very high	5 Å²	5	37 Å²	37	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-66.9	-38.7	-179.3	-74.7	165.4	0	0	0	112.6	F355 L360 V403 I405 A410 L412 V518 K525	F355-L521 HydrophobicContact CE2-CD2 4.13Å; F355-L521 HydrophobicContact CZ-CD2 4.06Å; L360-L521 HydrophobicContact CD1-CD2 3.66Å; V403-L521 HydrophobicContact CB-CD1 3.65Å; V403-L521 HydrophobicContact CG1-CD1 3.9Å; V403-L521 HydrophobicContact CG2-CD1 4.01Å; I405-L521 HydrophobicContact CD1-CB 4.04Å; I405-L521 HydrophobicContact CD1-CD1 3.63Å; I405-L521 HydrophobicContact CD1-CG 4.48Å; A410-L521 HydrophobicContact CB-CD1 4.12Å; A410-L521 HydrophobicContact CB-CD2 3.44Å; A410-L521 VanDerWaalsContact CB-CD2 3.44Å; A410-L521 HydrophobicContact CB-CG 4.45Å; L412-L521 HydrophobicContact CD1-CD1 3.99Å; L412-L521 HydrophobicContact CD1-CD2 4.26Å; L412-L521 HydrophobicContact CD1-CG 4.01Å; L412-L521 HydrophobicContact CD2-CD2 3.81Å; L412-L521 HydrophobicContact CD2-CG 4.28Å; L412-L521 HydrophobicContact CG-CD2 4.13Å; L412-L521 HydrophobicContact CG-CG 4.43Å; V518-L521 PolarHBondContact O-N 2.78Å; L521-K525 WeakPolarHBondContact O-CB 3.21Å; L521-K525 PolarHBondContact O-N 2.94Å
522	I	92.5	Very high	91.7	Very high	70 Å²	70	36.8 Å²	36.8	36%	0.359	18%	0.179	S	C	.	.	H	α-helix	trans	-62.1	-45.8	172.4	-67.1	171.5	0	0	0	110.4	F249 V518 G519 K525 E526	F249-I522 HydrophobicContact CZ-CG2 4.46Å; V518-I522 HydrophobicContact CG1-CD1 3.77Å; V518-I522 HydrophobicContact CG1-CG1 4.48Å; V518-I522 WeakPolarHBondContact O-CG1 3.08Å; V518-I522 PolarHBondContact O-N 2.96Å; V518-I522 VanDerWaalsContact O-N 3.08Å; G519-I522 PolarHBondContact O-N 3.49Å; I522-K525 PolarHBondContact O-N 3.01Å; I522-E526 PolarHBondContact O-N 3.21Å
523	A	93.7	Very high	91.4	Very high	11 Å²	11	38.8 Å²	38.8	9%	0.091	19%	0.19	C	C	.	.	H	α-helix	trans	-65	-42.3	-179.9	0	0	0	0	0	112.6	A470 I472 G519 I520 K525 E526 Q527	A470-A523 HydrophobicContact CB-CB 3.88Å; I472-A523 HydrophobicContact CD1-CB 4.13Å; I472-A523 HydrophobicContact CG1-CB 4.12Å; G519-A523 WeakPolarHBondContact O-CB 2.77Å; G519-A523 PolarHBondContact O-N 2.79Å; I520-A523 PolarHBondContact O-N 3.29Å; A523-K525 PolarHBondContact O-N 2.83Å; A523-E526 PolarHBondContact O-N 2.57Å; A523-Q527 WeakPolarHBondContact O-CB 3.43Å; A523-Q527 PolarHBondContact O-N 2.93Å
524	I	92.9	Very high	90.8	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-58.5	-47.8	172.4	-68.9	167.8	0	0	0	110.2	F355 L360 L412 D437 A438 A470 I520 E526 Q527 Q528	F355-I524 HydrophobicContact CE1-CG2 4.29Å; L360-I524 HydrophobicContact CB-CD1 4.47Å; L360-I524 HydrophobicContact CD1-CD1 4.27Å; L360-I524 HydrophobicContact CD1-CG2 4.39Å; L360-I524 HydrophobicContact CD2-CG2 4.36Å; L412-I524 HydrophobicContact CD2-CD1 4.25Å; D437-I524 HydrophobicContact CB-CD1 4.28Å; D437-I524 HydrophobicContact CB-CG1 4.44Å; D437-I524 HydrophobicContact CB-CG2 4.37Å; A438-I524 HydrophobicContact CB-CD1 3.9Å; A438-I524 HydrophobicContact CB-CG1 3.77Å; A470-I524 HydrophobicContact CB-CG1 4.22Å; I520-I524 HydrophobicContact CG2-CD1 3.82Å; I520-I524 HydrophobicContact CG2-CG1 4.48Å; I520-I524 VanDerWaalsContact O-CG1 3.31Å; I520-I524 WeakPolarHBondContact O-CG1 3.36Å; I520-I524 PolarHBondContact O-N 3.43Å; I524-E526 PolarHBondContact O-N 3.16Å; I524-Q527 PolarHBondContact O-N 2.83Å; I524-Q528 HydrophobicContact CG2-CG 4.33Å; I524-Q528 VanDerWaalsContact CG2-NE2 3.35Å; I524-Q528 WeakPolarHBondContact O-CB 3.3Å; I524-Q528 WeakPolarHBondContact O-CG 3.32Å; I524-Q528 PolarHBondContact O-N 3.29Å
525	K	89.8	Confident	90.4	Very high	33 Å²	33	43.8 Å²	43.8	14%	0.143	21%	0.208	C	C	.	.	H	α-helix	trans	-67.4	-35.2	-178.5	-169.3	162	-179.9	162.2	0	112.9	L353 F355 L521 I522 A523 K529	L353-K525 VanDerWaalsContact O-CE 3.24Å; L353-K525 WeakPolarHBondContact O-CE 3.2Å; L353-K525 PolarHBondContact O-NZ 3.35Å; F355-K525 HydrophobicContact CE1-CB 4.46Å; F355-K525 HydrophobicContact CE2-CD 4.47Å; F355-K525 HydrophobicContact CZ-CB 4.03Å; F355-K525 HydrophobicContact CZ-CD 4.19Å; L521-K525 WeakPolarHBondContact O-CB 3.21Å; L521-K525 PolarHBondContact O-N 2.94Å; I522-K525 PolarHBondContact O-N 3.01Å; A523-K525 PolarHBondContact O-N 2.83Å; K525-K529 WeakPolarHBondContact O-CB 3.28Å; K525-K529 VanDerWaalsContact O-CG 3.26Å; K525-K529 WeakPolarHBondContact O-CG 3.41Å; K525-K529 PolarHBondContact O-N 3.25Å
526	E	90.4	Very high	90	Very high	67 Å²	67	45 Å²	45	31%	0.313	21%	0.212	S	C	.	.	H	α-helix	trans	-66.9	-45	171.5	-171.4	178.2	165.4	0	0	110.9	I522 A523 I524 K529 N530	I522-E526 PolarHBondContact O-N 3.21Å; A523-E526 PolarHBondContact O-N 2.57Å; I524-E526 PolarHBondContact O-N 3.16Å; E526-K529 WeakPolarHBondContact O-CB 3.45Å; E526-K529 PolarHBondContact O-N 2.9Å; E526-N530 VanDerWaalsContact O-CG 3.28Å; E526-N530 PolarHBondContact O-N 3.01Å; E526-N530 PolarHBondContact O-ND2 3.25Å
527	Q	90.6	Very high	89.5	Confident	52 Å²	52	53.3 Å²	53.3	24%	0.243	24%	0.244	C	C	.	.	H	α-helix	trans	-67.9	-41.4	-177.1	-162.1	61.1	14.4	0	0	112.4	R467 A470 A523 I524 K529 N530 V531	R467-Q527 PolarHBondContact O-NE2 3.01Å; A470-Q527 HydrophobicContact CB-CB 4.43Å; A523-Q527 WeakPolarHBondContact O-CB 3.43Å; A523-Q527 PolarHBondContact O-N 2.93Å; I524-Q527 PolarHBondContact O-N 2.83Å; Q527-K529 VanDerWaalsContact C-N 3.33Å; Q527-K529 PolarHBondContact O-N 3.38Å; Q527-N530 PolarHBondContact O-N 3.33Å; Q527-N530 VanDerWaalsContact O-N 3.09Å; Q527-V531 VanDerWaalsContact O-CG2 3.3Å; Q527-V531 WeakPolarHBondContact O-CG2 3.36Å; Q527-V531 PolarHBondContact O-N 2.82Å
528	Q	88.4	Confident	88.9	Confident	63 Å²	63	55 Å²	55	29%	0.294	25%	0.249	S	C	.	.	H	α-helix	trans	-58.2	-43.5	171.9	-72.1	174.5	-1	0	0	111.7	I524 N530 V531 Q532	I524-Q528 HydrophobicContact CG2-CG 4.33Å; I524-Q528 VanDerWaalsContact CG2-NE2 3.35Å; I524-Q528 WeakPolarHBondContact O-CB 3.3Å; I524-Q528 WeakPolarHBondContact O-CG 3.32Å; I524-Q528 PolarHBondContact O-N 3.29Å; Q528-N530 VanDerWaalsContact C-N 3.33Å; Q528-N530 PolarHBondContact O-N 3.01Å; Q528-V531 PolarHBondContact O-N 2.84Å; Q528-Q532 WeakPolarHBondContact O-CB 3.36Å; Q528-Q532 PolarHBondContact O-N 3.5Å
529	K	89.1	Confident	88.6	Confident	91 Å²	91	57.4 Å²	57.4	40%	0.396	26%	0.261	S	S	.	.	H	α-helix	trans	-62.1	-37.1	173.5	-76.8	173.8	177.5	-177.1	0	112.6	L353 K525 E526 Q527 K533	L353-K529 HydrophobicContact CD1-CG 3.93Å; K525-K529 WeakPolarHBondContact O-CB 3.28Å; K525-K529 VanDerWaalsContact O-CG 3.26Å; K525-K529 WeakPolarHBondContact O-CG 3.41Å; K525-K529 PolarHBondContact O-N 3.25Å; E526-K529 WeakPolarHBondContact O-CB 3.45Å; E526-K529 PolarHBondContact O-N 2.9Å; Q527-K529 VanDerWaalsContact C-N 3.33Å; Q527-K529 PolarHBondContact O-N 3.38Å; K529-K533 WeakPolarHBondContact O-CD 3.48Å; K529-K533 VanDerWaalsContact O-CG 3.24Å; K529-K533 WeakPolarHBondContact O-CG 3.37Å; K529-K533 PolarHBondContact O-N 3.03Å; K529-K533 VanDerWaalsContact O-N 3.12Å
530	N	88.2	Confident	88.3	Confident	47 Å²	47	64.2 Å²	64.2	25%	0.251	29%	0.287	S	S	.	.	H	α-helix	trans	-71.7	-45.7	179.3	-69.8	-22.2	0	0	0	111.5	E526 Q527 Q528 Q532 K533 E534	E526-N530 VanDerWaalsContact O-CG 3.28Å; E526-N530 PolarHBondContact O-N 3.01Å; E526-N530 PolarHBondContact O-ND2 3.25Å; Q527-N530 PolarHBondContact O-N 3.33Å; Q527-N530 VanDerWaalsContact O-N 3.09Å; Q528-N530 VanDerWaalsContact C-N 3.33Å; Q528-N530 PolarHBondContact O-N 3.01Å; N530-Q532 VanDerWaalsContact C-N 3.29Å; N530-Q532 PolarHBondContact O-N 2.99Å; N530-K533 PolarHBondContact O-N 2.74Å; N530-K533 PolarHBondContact OD1-NZ 3.44Å; N530-K533 VanDerWaalsContact OD1-NZ 3.12Å; N530-E534 PolarHBondContact O-N 3.44Å
531	V	86.5	Confident	87.8	Confident	12 Å²	12	69 Å²	69	7%	0.073	31%	0.311	C	S	.	.	H	α-helix	trans	-56.6	-43.1	172.7	172.2	0	0	0	0	111.3	R467 Q527 Q528 E534 R535 F578	R467-V531 WeakPolarHBondContact O-CG2 3.47Å; Q527-V531 VanDerWaalsContact O-CG2 3.3Å; Q527-V531 WeakPolarHBondContact O-CG2 3.36Å; Q527-V531 PolarHBondContact O-N 2.82Å; Q528-V531 PolarHBondContact O-N 2.84Å; V531-E534 PolarHBondContact O-N 2.73Å; V531-R535 WeakPolarHBondContact O-CG 3.43Å; V531-R535 PolarHBondContact O-N 2.7Å; V531-F578 HydrophobicContact CG1-CD1 3.92Å; V531-F578 HydrophobicContact CG1-CE1 4.11Å
532	Q	85.2	Confident	87.3	Confident	85 Å²	85	70.2 Å²	70.2	40%	0.397	32%	0.317	S	S	.	.	H	α-helix	trans	-64.5	-44.1	178.5	178.6	54.9	25	0	0	112.3	Q528 N530 E534 R535 E536	Q528-Q532 WeakPolarHBondContact O-CB 3.36Å; Q528-Q532 PolarHBondContact O-N 3.5Å; N530-Q532 VanDerWaalsContact C-N 3.29Å; N530-Q532 PolarHBondContact O-N 2.99Å; Q532-E534 VanDerWaalsContact C-N 3.29Å; Q532-E534 PolarHBondContact O-N 3.24Å; Q532-R535 PolarHBondContact O-N 2.95Å; Q532-E536 WeakPolarHBondContact CG-OE1 3.48Å; Q532-E536 PolarHBondContact NE2-OE1 2.98Å; Q532-E536 WeakPolarHBondContact O-CG 3.5Å; Q532-E536 PolarHBondContact O-N 3.32Å
533	K	87.5	Confident	86.9	Confident	116 Å²	116	71.7 Å²	71.7	50%	0.504	32%	0.322	S	S	.	.	H	α-helix	trans	-60.1	-37.9	173.4	-67.7	162.5	-164.3	163.6	0	112.3	K529 N530 R537	K529-K533 WeakPolarHBondContact O-CD 3.48Å; K529-K533 VanDerWaalsContact O-CG 3.24Å; K529-K533 WeakPolarHBondContact O-CG 3.37Å; K529-K533 PolarHBondContact O-N 3.03Å; K529-K533 VanDerWaalsContact O-N 3.12Å; N530-K533 PolarHBondContact O-N 2.74Å; N530-K533 PolarHBondContact OD1-NZ 3.44Å; N530-K533 VanDerWaalsContact OD1-NZ 3.12Å; K533-R537 VanDerWaalsContact O-CB 3.29Å; K533-R537 WeakPolarHBondContact O-CB 3.09Å; K533-R537 PolarHBondContact O-N 3.46Å
534	E	83.1	Confident	86.3	Confident	93 Å²	93	77.1 Å²	77.1	44%	0.435	35%	0.349	S	S	.	.	H	α-helix	trans	-67	-42.6	176.2	-71.3	-163.7	141.7	0	0	112	N530 V531 Q532 R537 Y538	N530-E534 PolarHBondContact O-N 3.44Å; V531-E534 PolarHBondContact O-N 2.73Å; Q532-E534 VanDerWaalsContact C-N 3.29Å; Q532-E534 PolarHBondContact O-N 3.24Å; E534-R537 PolarHBondContact O-N 3.47Å; E534-Y538 WeakPolarHBondContact O-CB 3.44Å; E534-Y538 PolarHBondContact O-N 3.28Å
535	R	82.4	Confident	85.4	Confident	68 Å²	68	82.8 Å²	82.8	26%	0.257	38%	0.375	S	S	.	.	H	α-helix	trans	-58.1	-52	172.3	-69.6	175.3	-175.2	-156.7	2.5	111.5	V531 Q532 R537 Y538 D539 F578	V531-R535 WeakPolarHBondContact O-CG 3.43Å; V531-R535 PolarHBondContact O-N 2.7Å; Q532-R535 PolarHBondContact O-N 2.95Å; R535-R537 VanDerWaalsContact C-N 3.3Å; R535-R537 PolarHBondContact O-N 2.92Å; R535-Y538 CarbonylContact O-C 3.58Å; R535-Y538 WeakPolarHBondContact O-CA 3.29Å; R535-Y538 WeakPolarHBondContact O-CB 3.37Å; R535-Y538 PolarHBondContact O-N 2.83Å; R535-D539 PolarHBondContact O-N 3.46Å; R535-F578 PolarHBondContact NE-O 3.02Å; R535-F578 PolarHBondContact NH1-O 3.12Å; R535-F578 PolarHBondContact NH2-O 3.49Å; R535-F578 VanDerWaalsContact NH2-O 3.15Å
536	E	86.4	Confident	84.6	Confident	82 Å²	82	88.1 Å²	88.1	38%	0.383	40%	0.398	S	S	.	.	H	α-helix	trans	-61.4	-36.5	178.5	-69.1	166.8	-165.3	0	0	113.1	Q532 Y538 R540	Q532-E536 WeakPolarHBondContact CG-OE1 3.48Å; Q532-E536 PolarHBondContact NE2-OE1 2.98Å; Q532-E536 WeakPolarHBondContact O-CG 3.5Å; Q532-E536 PolarHBondContact O-N 3.32Å; E536-Y538 VanDerWaalsContact C-N 3.33Å; E536-R540 WeakPolarHBondContact O-CB 3.21Å; E536-R540 WeakPolarHBondContact O-CG 3.47Å; E536-R540 PolarHBondContact O-N 2.9Å; E536-R540 PolarHBondContact O-NE 3.36Å; E536-R540 IonicContact OE2-NH2 2.78Å
537	R	85.6	Confident	83.5	Confident	175 Å²	175	91.8 Å²	91.8	66%	0.66	41%	0.413	S	S	*	.	H	α-helix	trans	-64.3	-41.8	174.2	-179	-177.8	-178.3	-179.6	2.5	110.8	K533 E534 R535 M541	K533-R537 VanDerWaalsContact O-CB 3.29Å; K533-R537 WeakPolarHBondContact O-CB 3.09Å; K533-R537 PolarHBondContact O-N 3.46Å; E534-R537 PolarHBondContact O-N 3.47Å; R535-R537 VanDerWaalsContact C-N 3.3Å; R535-R537 PolarHBondContact O-N 2.92Å; R537-M541 WeakPolarHBondContact O-CG 3.33Å; R537-M541 PolarHBondContact O-N 3.4Å
538	Y	79.5	Confident	81.9	Confident	48 Å²	48	92.3 Å²	92.3	19%	0.188	43%	0.433	C	S	.	.	H	α-helix	trans	-67.8	-47.6	178.7	174.8	-102.5	0	0	0	112	E534 R535 E536 R540 M541 I542 M571 F574	E534-Y538 WeakPolarHBondContact O-CB 3.44Å; E534-Y538 PolarHBondContact O-N 3.28Å; R535-Y538 CarbonylContact O-C 3.58Å; R535-Y538 WeakPolarHBondContact O-CA 3.29Å; R535-Y538 WeakPolarHBondContact O-CB 3.37Å; R535-Y538 PolarHBondContact O-N 2.83Å; E536-Y538 VanDerWaalsContact C-N 3.33Å; Y538-R540 VanDerWaalsContact C-N 3.32Å; Y538-R540 PolarHBondContact O-N 3Å; Y538-M541 WeakPolarHBondContact O-CA 3.21Å; Y538-M541 WeakPolarHBondContact O-CB 3.29Å; Y538-M541 PolarHBondContact O-N 3Å; Y538-I542 HydrophobicContact CD1-CD1 4.09Å; Y538-I542 HydrophobicContact CE1-CD1 3.6Å; Y538-I542 HydrophobicContact CE1-CG1 4.36Å; Y538-I542 PolarHBondContact O-N 3.29Å; Y538-M571 WeakPolarHBondContact OH-CA 3.38Å; Y538-M571 WeakPolarHBondContact OH-CG 3.2Å; Y538-M571 PolarHBondContact OH-SD 3.07Å; Y538-F574 HydrophobicContact CE1-CB 4.3Å; Y538-F574 HydrophobicContact CE2-CB 4.25Å; Y538-F574 HydrophobicContact CE2-CD2 4.48Å; Y538-F574 HydrophobicContact CE2-CG 4.42Å
539	D	87.1	Confident	80.2	Confident	86 Å²	86	91.6 Å²	91.6	46%	0.46	44%	0.443	S	S	.	.	H	α-helix	trans	-60.8	-39.8	178.1	-69.8	-38.7	0	0	0	112.2	R535 M541 I542 E543	R535-D539 PolarHBondContact O-N 3.46Å; D539-M541 VanDerWaalsContact C-N 3.3Å; D539-M541 PolarHBondContact O-N 2.68Å; D539-I542 WeakPolarHBondContact O-CB 3.46Å; D539-I542 PolarHBondContact O-N 2.68Å; D539-I542 VanDerWaalsContact O-N 3.08Å; D539-E543 PolarHBondContact O-N 2.86Å
540	R	88.3	Confident	78.4	Confident	143 Å²	143	93.9 Å²	93.9	54%	0.54	46%	0.458	S	S	.	.	H	α-helix	trans	-59.5	-36.5	170.8	-77.2	175.8	-74.7	-161.3	-7.1	112.8	E536 Y538 E543 L544	E536-R540 WeakPolarHBondContact O-CB 3.21Å; E536-R540 WeakPolarHBondContact O-CG 3.47Å; E536-R540 PolarHBondContact O-N 2.9Å; E536-R540 PolarHBondContact O-NE 3.36Å; E536-R540 IonicContact OE2-NH2 2.78Å; Y538-R540 VanDerWaalsContact C-N 3.32Å; Y538-R540 PolarHBondContact O-N 3Å; R540-E543 PolarHBondContact O-N 2.76Å; R540-L544 WeakPolarHBondContact O-CG 3.23Å; R540-L544 PolarHBondContact O-N 2.83Å; R540-L544 VanDerWaalsContact O-N 3.16Å
541	M	83.4	Confident	76.4	Confident	102 Å²	102	98.6 Å²	98.6	50%	0.502	48%	0.484	S	S	.	.	H	α-helix	trans	-67.6	-35.9	173.4	-71.5	175.8	54.6	0	0	112.3	R537 Y538 D539 Q545	R537-M541 WeakPolarHBondContact O-CG 3.33Å; R537-M541 PolarHBondContact O-N 3.4Å; Y538-M541 WeakPolarHBondContact O-CA 3.21Å; Y538-M541 WeakPolarHBondContact O-CB 3.29Å; Y538-M541 PolarHBondContact O-N 3Å; D539-M541 VanDerWaalsContact C-N 3.3Å; D539-M541 PolarHBondContact O-N 2.68Å; M541-Q545 WeakPolarHBondContact O-CG 3.42Å; M541-Q545 PolarHBondContact O-N 3.02Å
542	I	83.4	Confident	74.4	Confident	30 Å²	30	105.7 Å²	105.7	15%	0.154	52%	0.521	C	S	.	.	H	α-helix	trans	-63.5	-45.8	174.4	-57	-176.3	0	0	0	110.7	Y538 D539 L544 Q545 K546 M571	Y538-I542 HydrophobicContact CD1-CD1 4.09Å; Y538-I542 HydrophobicContact CE1-CD1 3.6Å; Y538-I542 HydrophobicContact CE1-CG1 4.36Å; Y538-I542 PolarHBondContact O-N 3.29Å; D539-I542 WeakPolarHBondContact O-CB 3.46Å; D539-I542 PolarHBondContact O-N 2.68Å; D539-I542 VanDerWaalsContact O-N 3.08Å; I542-L544 PolarHBondContact O-N 3.29Å; I542-Q545 PolarHBondContact O-N 2.93Å; I542-K546 HydrophobicContact CG2-CD 4.13Å; I542-K546 HydrophobicContact CG2-CG 4.47Å; I542-K546 WeakPolarHBondContact O-CG 3.14Å; I542-K546 PolarHBondContact O-N 2.76Å; I542-M571 HydrophobicContact CB-CE 4.46Å; I542-M571 HydrophobicContact CD1-CE 3.65Å; I542-M571 HydrophobicContact CD1-SD 4.45Å; I542-M571 HydrophobicContact CG1-CE 3.57Å; I542-M571 HydrophobicContact CG2-CE 4.29Å
543	E	83.3	Confident	72.3	Confident	100 Å²	100	109.4 Å²	109.4	47%	0.467	54%	0.543	S	S	.	.	H	α-helix	trans	-61.1	-42.7	179	-78	-160.1	-159.8	0	0	113.1	D539 R540 Q545 K546 K547	D539-E543 PolarHBondContact O-N 2.86Å; R540-E543 PolarHBondContact O-N 2.76Å; E543-Q545 VanDerWaalsContact C-N 3.31Å; E543-Q545 PolarHBondContact O-N 3.09Å; E543-K546 PolarHBondContact O-N 3.15Å; E543-K547 WeakPolarHBondContact O-CB 3.23Å; E543-K547 WeakPolarHBondContact O-CG 3.31Å; E543-K547 PolarHBondContact O-N 3.14Å; E543-K547 IonicContact OE2-NZ 3.1Å; E543-K547 PolarHBondContact OE2-NZ 3.31Å
544	L	81	Confident	70.1	Confident	126 Å²	126	109.4 Å²	109.4	66%	0.66	55%	0.553	S	S	*	*	H	α-helix	trans	-62.4	-39.2	177.5	-70.6	169.6	0	0	0	111.5	R540 I542 G548	R540-L544 WeakPolarHBondContact O-CG 3.23Å; R540-L544 PolarHBondContact O-N 2.83Å; R540-L544 VanDerWaalsContact O-N 3.16Å; I542-L544 PolarHBondContact O-N 3.29Å; L544-G548 PolarHBondContact O-N 2.91Å
545	Q	74.1	Confident	67.9	Low	119 Å²	119	114.9 Å²	114.9	56%	0.556	58%	0.575	S	S	*	*	H	α-helix	trans	-66.3	-42.1	174	-71.7	-178.5	-3.6	0	0	112.4	M541 I542 E543 G548 G549	M541-Q545 WeakPolarHBondContact O-CG 3.42Å; M541-Q545 PolarHBondContact O-N 3.02Å; I542-Q545 PolarHBondContact O-N 2.93Å; E543-Q545 VanDerWaalsContact C-N 3.31Å; E543-Q545 PolarHBondContact O-N 3.09Å; Q545-G548 PolarHBondContact O-N 3.42Å; Q545-G549 PolarHBondContact O-N 3.42Å; Q545-G549 VanDerWaalsContact O-N 3.07Å
546	K	74	Confident	66	Low	146 Å²	146	116.7 Å²	116.7	64%	0.635	60%	0.598	S	S	*	*	H	α-helix	trans	-61.6	-45.2	175.4	-73.1	172.9	177.7	171.8	0	112	I542 E543 G549	I542-K546 HydrophobicContact CG2-CD 4.13Å; I542-K546 HydrophobicContact CG2-CG 4.47Å; I542-K546 WeakPolarHBondContact O-CG 3.14Å; I542-K546 PolarHBondContact O-N 2.76Å; E543-K546 PolarHBondContact O-N 3.15Å; K546-G549 PolarHBondContact O-N 3.17Å
547	K	66.3	Low	63.8	Low	143 Å²	143	122.6 Å²	122.6	62%	0.622	62%	0.622	S	S	*	*	H	α-helix	trans	-69.6	-35.6	179.8	-72.5	164.6	177.3	163.4	0	112.1	E543	E543-K547 WeakPolarHBondContact O-CB 3.23Å; E543-K547 WeakPolarHBondContact O-CG 3.31Å; E543-K547 PolarHBondContact O-N 3.14Å; E543-K547 IonicContact OE2-NZ 3.1Å; E543-K547 PolarHBondContact OE2-NZ 3.31Å
548	G	58.1	Low	61.4	Low	63 Å²	63	121.8 Å²	121.8	65%	0.649	63%	0.631	S	S	*	*	H	α-helix	trans	-74.2	-23	175.5	0	0	0	0	0	115.2	L544 Q545	L544-G548 PolarHBondContact O-N 2.91Å; Q545-G548 PolarHBondContact O-N 3.42Å
549	G	51.8	Low	59.6	Low	49 Å²	49	123.4 Å²	123.4	51%	0.505	65%	0.65	S	S	.	*	S	Bend	trans	-80.1	-17.3	-172.7	0	0	0	0	0	116.6	Q545 K546	Q545-G549 PolarHBondContact O-N 3.42Å; Q545-G549 VanDerWaalsContact O-N 3.07Å; K546-G549 PolarHBondContact O-N 3.17Å
550	L	51.3	Low	57.5	Low	139 Å²	139	127.9 Å²	127.9	73%	0.728	67%	0.672	S	S	*	*	S	Bend	trans	-84.4	-22.6	-168.6	-112.8	66.3	0	0	0	115.2	N552	L550-N552 PolarHBondContact O-N 2.78Å
551	N	46.1	Very low	55.5	Low	146 Å²	146	126.6 Å²	126.6	78%	0.781	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	11.8	-165.9	-71.9	5.2	0	0	0	115.6
552	N	44.7	Very low	53.5	Low	160 Å²	160	126 Å²	126	86%	0.856	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.2	11.2	178.3	-98.8	-36.4	0	0	0	114.5	L550 T554	L550-N552 PolarHBondContact O-N 2.78Å; N552-T554 VanDerWaalsContact C-N 3.33Å; N552-T554 PolarHBondContact O-N 3.06Å
553	L	41.9	Very low	51.7	Low	163 Å²	163	131 Å²	131	85%	0.853	72%	0.718	S	S	*	*			trans	-89.1	57.7	-172.5	-153.9	73.8	0	0	0	113.8
554	T	39.5	Very low	50	Low	117 Å²	117	136.4 Å²	136.4	72%	0.718	74%	0.74	S	S	*	*			trans	-122.3	139.2	164.4	74.9	0	0	0	0	111.2	N552	N552-T554 VanDerWaalsContact C-N 3.33Å; N552-T554 PolarHBondContact O-N 3.06Å
555	K	38.8	Very low	48.5	Very low	208 Å²	208	133.1 Å²	133.1	90%	0.904	73%	0.725	S	S	*	*	S	Bend	trans	63	57.9	168.7	-53.4	175	-176.8	173.8	0	117.8
556	S	41	Very low	47.6	Very low	106 Å²	106	132.1 Å²	132.1	74%	0.741	73%	0.729	S	S	*	*			trans	-155	98.2	137.8	-167.1	0	0	0	0	113
557	K	40.3	Very low	46.5	Very low	205 Å²	205	127.3 Å²	127.3	89%	0.891	72%	0.716	S	S	*	*			trans	-95.3	89	159.3	-70.9	-178.2	179.1	-179.4	0	107.2
558	N	35.2	Very low	46	Very low	158 Å²	158	124.9 Å²	124.9	85%	0.845	71%	0.71	S	S	*	*			trans	174.6	74.7	160.1	-90.8	-14.9	0	0	0	110.8
559	S	42.1	Very low	46.1	Very low	83 Å²	83	126 Å²	126	58%	0.58	70%	0.701	S	S	*	*			trans	-162.4	98.7	165.2	-176.2	0	0	0	0	111.1	T561	S559-T561 PolarHBondContact O-N 3.15Å; S559-T561 PolarHBondContact OG-OG1 3.21Å
560	I	43.7	Very low	46.5	Very low	180 Å²	180	126.4 Å²	126.4	92%	0.923	69%	0.694	S	S	*	*	S	Bend	trans	-95.2	47.6	175.6	-47.2	-179.4	0	0	0	109.6
561	T	44.6	Very low	46.7	Very low	115 Å²	115	122.7 Å²	122.7	71%	0.706	67%	0.674	S	S	*	*			trans	-143.2	36.5	179.1	48.9	0	0	0	0	112	S559 L563	S559-T561 PolarHBondContact O-N 3.15Å; S559-T561 PolarHBondContact OG-OG1 3.21Å; T561-L563 VanDerWaalsContact C-N 3.27Å; T561-L563 PolarHBondContact O-N 2.83Å
562	A	43	Very low	47.6	Very low	91 Å²	91	123.4 Å²	123.4	75%	0.752	67%	0.67	S	S	*	*			trans	-70.6	72.2	-176.2	0	0	0	0	0	114.4
563	L	44.8	Very low	48.4	Very low	133 Å²	133	118.7 Å²	118.7	70%	0.696	64%	0.642	S	S	*	*			trans	48.4	97	150.4	-58.7	170.7	0	0	0	117	T561 T565	T561-L563 VanDerWaalsContact C-N 3.27Å; T561-L563 PolarHBondContact O-N 2.83Å; L563-T565 HydrophobicContact CB-CG2 4.05Å; L563-T565 PolarHBondContact O-N 3.38Å
564	K	46.8	Very low	49.1	Very low	214 Å²	214	113.8 Å²	113.8	93%	0.93	61%	0.614	S	S	*	*			trans	-65	76	159.5	-70	-175.4	177.6	-177.3	0	110.6
565	T	50.7	Low	50.1	Low	58 Å²	58	117.3 Å²	117.3	36%	0.356	61%	0.614	S	S	.	*			trans	-76.8	147.5	174.1	61	0	0	0	0	110.9	L563 A567 N568	L563-T565 HydrophobicContact CB-CG2 4.05Å; L563-T565 PolarHBondContact O-N 3.38Å; T565-A567 PolarHBondContact O-N 3.45Å; T565-A567 VanDerWaalsContact O-N 3.13Å; T565-N568 PolarHBondContact O-N 2.96Å
566	P	54.3	Low	51.3	Low	98 Å²	98	115.3 Å²	115.3	64%	0.636	61%	0.605	S	S	*	*	H	α-helix	trans	-61.5	-24	179.4	23.7	-33.7	0	0	0	113	N568 N569 V570	P566-N568 PolarHBondContact O-N 3.02Å; P566-N569 PolarHBondContact O-N 2.81Å; P566-V570 WeakPolarHBondContact O-CG2 3.39Å; P566-V570 PolarHBondContact O-N 2.82Å
567	A	51	Low	52.1	Low	45 Å²	45	114.7 Å²	114.7	37%	0.372	59%	0.59	S	S	.	*	H	α-helix	trans	-56.2	-35	172.7	0	0	0	0	0	112.9	T565 N569 M571	T565-A567 PolarHBondContact O-N 3.45Å; T565-A567 VanDerWaalsContact O-N 3.13Å; A567-N569 VanDerWaalsContact C-N 3.35Å; A567-M571 WeakPolarHBondContact O-CB 3.48Å; A567-M571 WeakPolarHBondContact O-CG 3.41Å; A567-M571 PolarHBondContact O-N 3.07Å
568	N	55.8	Low	53	Low	91 Å²	91	106.4 Å²	106.4	49%	0.487	55%	0.554	S	S	.	*	H	α-helix	trans	-72.4	-27	177.5	-77.3	-18.1	0	0	0	112.9	T565 P566 M571 K572	T565-N568 PolarHBondContact O-N 2.96Å; P566-N568 PolarHBondContact O-N 3.02Å; N568-M571 WeakPolarHBondContact O-CB 3.39Å; N568-K572 PolarHBondContact O-N 3.13Å
569	N	60.6	Low	53.6	Low	87 Å²	87	103 Å²	103	47%	0.465	54%	0.539	S	S	.	.	H	α-helix	trans	-78.8	-42.9	174.2	-71.3	7.1	0	0	0	110.8	P566 A567 M571 K572 F573	P566-N569 PolarHBondContact O-N 2.81Å; A567-N569 VanDerWaalsContact C-N 3.35Å; N569-M571 VanDerWaalsContact C-N 3.26Å; N569-M571 PolarHBondContact O-N 3.49Å; N569-K572 PolarHBondContact O-N 3Å; N569-K572 VanDerWaalsContact O-N 3.17Å; N569-F573 PolarHBondContact O-N 3.41Å
570	V	60.4	Low	53.9	Low	58 Å²	58	104.1 Å²	104.1	35%	0.352	54%	0.543	S	S	.	.	H	α-helix	trans	-56.5	-42.7	170.1	174.4	0	0	0	0	110.5	P566 K572 F573 F574	P566-V570 WeakPolarHBondContact O-CG2 3.39Å; P566-V570 PolarHBondContact O-N 2.82Å; V570-K572 PolarHBondContact O-N 3.27Å; V570-F573 PolarHBondContact O-N 3.36Å; V570-F574 HydrophobicContact CG1-CD2 3.67Å; V570-F574 HydrophobicContact CG1-CE2 3.83Å; V570-F574 WeakPolarHBondContact O-CD2 3.5Å; V570-F574 PolarHBondContact O-N 2.81Å
571	M	56.4	Low	53.9	Low	61 Å²	61	104.4 Å²	104.4	30%	0.3	54%	0.537	S	S	.	.	H	α-helix	trans	-54.7	-50.2	172.8	-95.9	-99.5	179.1	0	0	113.4	Y538 I542 A567 N568 N569 R575	Y538-M571 WeakPolarHBondContact OH-CA 3.38Å; Y538-M571 WeakPolarHBondContact OH-CG 3.2Å; Y538-M571 PolarHBondContact OH-SD 3.07Å; I542-M571 HydrophobicContact CB-CE 4.46Å; I542-M571 HydrophobicContact CD1-CE 3.65Å; I542-M571 HydrophobicContact CD1-SD 4.45Å; I542-M571 HydrophobicContact CG1-CE 3.57Å; I542-M571 HydrophobicContact CG2-CE 4.29Å; A567-M571 WeakPolarHBondContact O-CB 3.48Å; A567-M571 WeakPolarHBondContact O-CG 3.41Å; A567-M571 PolarHBondContact O-N 3.07Å; N568-M571 WeakPolarHBondContact O-CB 3.39Å; N569-M571 VanDerWaalsContact C-N 3.26Å; N569-M571 PolarHBondContact O-N 3.49Å; M571-R575 VanDerWaalsContact O-CB 3.3Å; M571-R575 WeakPolarHBondContact O-CB 3.08Å; M571-R575 PolarHBondContact O-N 3.34Å
572	K	63.3	Low	53.9	Low	160 Å²	160	106.8 Å²	106.8	70%	0.696	54%	0.538	S	S	*	.	H	α-helix	trans	-63.7	-40.6	177.2	-80	-176	170.7	-174.3	0	112	N568 N569 V570 R575 K576	N568-K572 PolarHBondContact O-N 3.13Å; N569-K572 PolarHBondContact O-N 3Å; N569-K572 VanDerWaalsContact O-N 3.17Å; V570-K572 PolarHBondContact O-N 3.27Å; K572-R575 PolarHBondContact O-N 2.88Å; K572-K576 WeakPolarHBondContact O-CB 3.37Å; K572-K576 PolarHBondContact O-N 3.19Å
573	F	62.1	Low	53.7	Low	62 Å²	62	108.7 Å²	108.7	27%	0.272	54%	0.536	S	S	.	.	H	α-helix	trans	-61.3	-54.2	177.3	176.4	-94.3	0	0	0	111.7	C465 N569 V570 R575 K576 H577 F578	C465-F573 HydrophobicContact CB-CZ 4.44Å; N569-F573 PolarHBondContact O-N 3.41Å; V570-F573 PolarHBondContact O-N 3.36Å; F573-R575 VanDerWaalsContact C-N 3.27Å; F573-R575 PolarHBondContact O-N 2.6Å; F573-K576 PolarHBondContact O-N 3.12Å; F573-H577 AromaticContact CD2-CD2 3.67Å; F573-H577 AromaticContact CE2-CD2 3.52Å; F573-H577 AromaticContact CE2-NE2 3.78Å; F573-H577 PolarHBondContact O-CD2 2.91Å; F573-H577 PolarHBondContact O-N 2.99Å; F573-F578 HydrophobicContact CE1-CE2 4.42Å
574	F	57	Low	53.4	Low	60 Å²	60	109.1 Å²	109.1	26%	0.263	53%	0.534	S	S	.	.	H	α-helix	trans	-62.2	-36	178.2	-85.1	-82.9	0	0	0	111.9	Y538 V570 K576 F578	Y538-F574 HydrophobicContact CE1-CB 4.3Å; Y538-F574 HydrophobicContact CE2-CB 4.25Å; Y538-F574 HydrophobicContact CE2-CD2 4.48Å; Y538-F574 HydrophobicContact CE2-CG 4.42Å; V570-F574 HydrophobicContact CG1-CD2 3.67Å; V570-F574 HydrophobicContact CG1-CE2 3.83Å; V570-F574 WeakPolarHBondContact O-CD2 3.5Å; V570-F574 PolarHBondContact O-N 2.81Å; F574-K576 PolarHBondContact O-N 2.93Å; F574-F578 AromaticContact CD1-CD2 3.43Å; F574-F578 HydrophobicContact CD1-CD2 3.43Å; F574-F578 VanDerWaalsContact CD1-CD2 3.43Å; F574-F578 AromaticContact CD1-CE2 3.65Å; F574-F578 HydrophobicContact CD1-CE2 3.65Å; F574-F578 HydrophobicContact CD1-CG 4.12Å; F574-F578 HydrophobicContact CD1-CZ 4.49Å; F574-F578 AromaticContact CE1-CD2 3.94Å; F574-F578 HydrophobicContact CE1-CD2 3.94Å; F574-F578 AromaticContact CE1-CE2 3.67Å; F574-F578 HydrophobicContact CE1-CE2 3.67Å; F574-F578 HydrophobicContact CE1-CZ 4.18Å; F574-F578 HydrophobicContact CG-CD2 4.27Å; F574-F578 WeakPolarHBondContact O-CA 3.31Å; F574-F578 WeakPolarHBondContact O-CB 3.07Å; F574-F578 PolarHBondContact O-N 3.2Å
575	R	60.1	Low	53.1	Low	191 Å²	191	107.5 Å²	107.5	72%	0.721	53%	0.53	S	S	*	.	H	α-helix	trans	-66.5	-32.4	173.7	-158.1	179.2	-166	-174.1	4.5	113.3	M571 K572 F573 T579	M571-R575 VanDerWaalsContact O-CB 3.3Å; M571-R575 WeakPolarHBondContact O-CB 3.08Å; M571-R575 PolarHBondContact O-N 3.34Å; K572-R575 PolarHBondContact O-N 2.88Å; F573-R575 VanDerWaalsContact C-N 3.27Å; F573-R575 PolarHBondContact O-N 2.6Å; R575-T579 HydrophobicContact CG-CG2 3.77Å; R575-T579 WeakPolarHBondContact O-CG2 3.29Å; R575-T579 PolarHBondContact O-OG1 3.32Å
576	K	64	Low	52.3	Low	165 Å²	165	109.8 Å²	109.8	72%	0.717	55%	0.548	S	S	*	.	H	α-helix	trans	-72.8	-43.5	176.4	-176.4	-175.9	172.8	-163.4	0	112	K572 F573 F574	K572-K576 WeakPolarHBondContact O-CB 3.37Å; K572-K576 PolarHBondContact O-N 3.19Å; F573-K576 PolarHBondContact O-N 3.12Å; F574-K576 PolarHBondContact O-N 2.93Å
577	H	57.9	Low	51.6	Low	94 Å²	94	113 Å²	113	44%	0.435	56%	0.559	S	S	.	*	H	α-helix	trans	-98.2	-14.6	-169.4	-68.3	-86.1	0	0	0	114.9	F573	F573-H577 AromaticContact CD2-CD2 3.67Å; F573-H577 AromaticContact CE2-CD2 3.52Å; F573-H577 AromaticContact CE2-NE2 3.78Å; F573-H577 PolarHBondContact O-CD2 2.91Å; F573-H577 PolarHBondContact O-N 2.99Å
578	F	58.4	Low	50.9	Low	30 Å²	30	121 Å²	121	13%	0.132	60%	0.602	C	S	.	*	H	α-helix	trans	-128.2	8.4	-174.6	-60.8	-94.2	0	0	0	115.4	V531 R535 F573 F574	V531-F578 HydrophobicContact CG1-CD1 3.92Å; V531-F578 HydrophobicContact CG1-CE1 4.11Å; R535-F578 PolarHBondContact NE-O 3.02Å; R535-F578 PolarHBondContact NH1-O 3.12Å; R535-F578 PolarHBondContact NH2-O 3.49Å; R535-F578 VanDerWaalsContact NH2-O 3.15Å; F573-F578 HydrophobicContact CE1-CE2 4.42Å; F574-F578 AromaticContact CD1-CD2 3.43Å; F574-F578 HydrophobicContact CD1-CD2 3.43Å; F574-F578 VanDerWaalsContact CD1-CD2 3.43Å; F574-F578 AromaticContact CD1-CE2 3.65Å; F574-F578 HydrophobicContact CD1-CE2 3.65Å; F574-F578 HydrophobicContact CD1-CG 4.12Å; F574-F578 HydrophobicContact CD1-CZ 4.49Å; F574-F578 AromaticContact CE1-CD2 3.94Å; F574-F578 HydrophobicContact CE1-CD2 3.94Å; F574-F578 AromaticContact CE1-CE2 3.67Å; F574-F578 HydrophobicContact CE1-CE2 3.67Å; F574-F578 HydrophobicContact CE1-CZ 4.18Å; F574-F578 HydrophobicContact CG-CD2 4.27Å; F574-F578 WeakPolarHBondContact O-CA 3.31Å; F574-F578 WeakPolarHBondContact O-CB 3.07Å; F574-F578 PolarHBondContact O-N 3.2Å
579	T	49.5	Very low	50.7	Low	87 Å²	87	122.5 Å²	122.5	53%	0.534	61%	0.608	S	S	.	*			trans	-90	113.1	167.2	61.5	0	0	0	0	111.7	R575 K581	R575-T579 HydrophobicContact CG-CG2 3.77Å; R575-T579 WeakPolarHBondContact O-CG2 3.29Å; R575-T579 PolarHBondContact O-OG1 3.32Å; T579-K581 PolarHBondContact O-N 3.31Å
580	T	47.5	Very low	50.1	Low	107 Å²	107	124.3 Å²	124.3	66%	0.656	62%	0.616	S	S	*	*			trans	-67.3	125.3	159.8	38.8	0	0	0	0	109.4	K582	T580-K582 PolarHBondContact O-N 3.41Å; T580-K582 VanDerWaalsContact O-N 3.13Å
581	K	44.6	Very low	49.6	Very low	185 Å²	185	128 Å²	128	80%	0.804	63%	0.63	S	S	*	*			trans	-66.3	109.2	169.2	-74.8	-177.9	179	176.2	0	108.9	T579 N583	T579-K581 PolarHBondContact O-N 3.31Å; K581-N583 PolarHBondContact O-N 3.08Å; K581-N583 VanDerWaalsContact O-N 3.1Å
582	K	42.9	Very low	49.2	Very low	166 Å²	166	131.9 Å²	131.9	72%	0.722	65%	0.65	S	S	*	*			trans	-69.5	98.3	158.4	-86.4	-170.7	153	-142.9	0	108.1	T580 E584	T580-K582 PolarHBondContact O-N 3.41Å; T580-K582 VanDerWaalsContact O-N 3.13Å; K582-E584 WeakPolarHBondContact CD-OE1 3.47Å; K582-E584 WeakPolarHBondContact CE-OE1 3.48Å; K582-E584 IonicContact NZ-OE1 2.61Å; K582-E584 PolarHBondContact NZ-OE1 3.18Å; K582-E584 PolarHBondContact O-N 2.67Å
583	N	39.1	Very low	48.3	Very low	131 Å²	131	130.2 Å²	130.2	70%	0.701	65%	0.647	S	S	*	*			trans	-77.7	65.3	167.3	-83.2	9.8	0	0	0	109.9	K581 Q585	K581-N583 PolarHBondContact O-N 3.08Å; K581-N583 VanDerWaalsContact O-N 3.1Å; N583-Q585 VanDerWaalsContact C-N 3.26Å; N583-Q585 PolarHBondContact O-N 3.4Å; N583-Q585 VanDerWaalsContact O-N 3.09Å
584	E	38.7	Very low	47.4	Very low	142 Å²	142	134.7 Å²	134.7	66%	0.664	67%	0.672	S	S	*	*			trans	-77.2	83.9	161.1	-75.7	168.3	-158.6	0	0	107.5	K582	K582-E584 WeakPolarHBondContact CD-OE1 3.47Å; K582-E584 WeakPolarHBondContact CE-OE1 3.48Å; K582-E584 IonicContact NZ-OE1 2.61Å; K582-E584 PolarHBondContact NZ-OE1 3.18Å; K582-E584 PolarHBondContact O-N 2.67Å
585	Q	39.9	Very low	46.7	Very low	180 Å²	180	140.1 Å²	140.1	84%	0.841	70%	0.701	S	S	*	*			trans	-107.4	79.1	167.9	-78	-166.9	-19	0	0	110	N583	N583-Q585 VanDerWaalsContact C-N 3.26Å; N583-Q585 PolarHBondContact O-N 3.4Å; N583-Q585 VanDerWaalsContact O-N 3.09Å
586	S	34.4	Very low	45.6	Very low	106 Å²	106	136.2 Å²	136.2	74%	0.741	70%	0.7	S	S	*	*			trans	-85.3	109.1	161.2	42.4	0	0	0	0	109.3
587	L	39.5	Very low	44.1	Very low	164 Å²	164	133.8 Å²	133.8	86%	0.859	70%	0.698	S	S	*	*			trans	179.1	123.4	148.6	-101.8	158.7	0	0	0	112
588	V	37	Very low	42.9	Very low	213 Å²	213	137.4 Å²	137.4	100%	1.291	72%	0.722	S	S	*	*			trans	68.5	0	169.4	-168.4	0	0	0	0	115.8

Retrieved 588 of 588 residues in 125.3 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).