A0A096NFG7_PAPAN Loading...

Ubiquitin carboxyl-terminal hydrolase

Circadian clock output effector that regulates Ca(2+) absorption in the small intestine. Probably functions by regulating protein levels of the membrane scaffold protein NHERF4 in a rhythmic manner, and is therefore likely to control Ca(2+) membrane permeability mediated by the Ca(2+) channel TRPV6 in the intestine. Deubiquitinating enzyme that removes conjugated ubiquitin from specific proteins to regulate different cellular processes.

AlphaFold DB (A0A2K5ZL11), UniProt , Accession A0A096NFG7, Species PAPAN (Papio anubis, Olive baboon), Gene USP2, Length 605 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.5	Very low	42.5	Very low	33 Å²	33	70.4 Å²	70.4	16%	0.163	34%	0.343	C	S	.	.				0	-60.6	0	-66.7	-134.7	-66.9	0	0	112.2	Q3 L4 S5 L423 Y430 S432 T475 C476	M1-Q3 PolarHBondContact O-N 2.97Å; M1-L4 WeakPolarHBondContact O-CA 3.42Å; M1-L4 PolarHBondContact O-N 2.68Å; M1-S5 PolarHBondContact O-N 3.38Å; M1-S5 VanDerWaalsContact O-N 3.13Å; M1-S5 PolarHBondContact O-OG 3.04Å; M1-L423 HydrophobicContact CB-CD2 4.05Å; M1-L423 HydrophobicContact CG-CD2 4.31Å; M1-L423 HydrophobicContact SD-CD2 3.94Å; M1-L423 HydrophobicContact SD-CG 4.26Å; M1-Y430 HydrophobicContact CE-CD1 3.63Å; M1-Y430 HydrophobicContact CE-CE1 4.1Å; M1-S432 WeakPolarHBondContact CB-OG 3.28Å; M1-T475 WeakPolarHBondContact CG-O 3.43Å; M1-C476 HydrophobicContact CE-CB 4.48Å; M1-C476 HydrophobicContact SD-CB 4.06Å
2	S	43.2	Very low	41.5	Very low	73 Å²	73	68.6 Å²	68.6	51%	0.51	34%	0.339	S	S	.	.	H	α-helix	trans	-41.3	-53.1	-179.9	51	0	0	0	0	115.9	L4 S5 S6	S2-L4 PolarHBondContact O-N 3.09Å; S2-L4 VanDerWaalsContact O-N 3.11Å; S2-S5 WeakPolarHBondContact O-CB 3.31Å; S2-S5 PolarHBondContact O-N 3.05Å; S2-S6 PolarHBondContact O-N 3.46Å
3	Q	46.1	Very low	40.5	Very low	149 Å²	149	73 Å²	73	70%	0.696	36%	0.359	S	S	*	.	H	α-helix	trans	-64.3	-12.7	178.6	-70.3	-168.8	0.7	0	0	115.7	M1	M1-Q3 PolarHBondContact O-N 2.97Å
4	L	48.1	Very low	39.9	Very low	96 Å²	96	71.4 Å²	71.4	50%	0.503	36%	0.358	S	S	.	.	H	α-helix	trans	-100.7	-18.7	173	-64.5	173.6	0	0	0	112.1	M1 S2 P474 K487	M1-L4 WeakPolarHBondContact O-CA 3.42Å; M1-L4 PolarHBondContact O-N 2.68Å; S2-L4 PolarHBondContact O-N 3.09Å; S2-L4 VanDerWaalsContact O-N 3.11Å; L4-P474 HydrophobicContact CD1-CB 3.61Å; L4-K487 PolarHBondContact O-NZ 3.49Å
5	S	44	Very low	39.1	Very low	0 Å²	0	70.6 Å²	70.6	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-71.2	-51.7	166.4	-48.2	0	0	0	0	109.7	M1 S2 S421 L423 K487	M1-S5 PolarHBondContact O-N 3.38Å; M1-S5 VanDerWaalsContact O-N 3.13Å; M1-S5 PolarHBondContact O-OG 3.04Å; S2-S5 WeakPolarHBondContact O-CB 3.31Å; S2-S5 PolarHBondContact O-N 3.05Å; S5-S421 PolarHBondContact O-OG 2.96Å; S5-L423 WeakPolarHBondContact OG-CB 3.36Å; S5-K487 WeakPolarHBondContact O-CE 3.12Å; S5-K487 PolarHBondContact O-NZ 3.1Å
6	S	46.8	Very low	38.5	Very low	29 Å²	29	78.6 Å²	78.6	20%	0.203	39%	0.391	C	S	.	.			trans	-51.8	134.8	-174.8	-177.5	0	0	0	0	114.5	S2 L8 D436	S2-S6 PolarHBondContact O-N 3.46Å; S6-L8 WeakPolarHBondContact OG-CB 3.03Å; S6-L8 PolarHBondContact OG-N 2.72Å; S6-L8 VanDerWaalsContact OG-N 3.07Å; S6-D436 VanDerWaalsContact CA-OD2 3.27Å; S6-D436 WeakPolarHBondContact CA-OD2 3.46Å; S6-D436 WeakPolarHBondContact CB-OD1 3.5Å; S6-D436 PolarHBondContact OG-OD1 3.43Å
7	T	51.3	Low	38.1	Very low	13 Å²	13	86.7 Å²	86.7	8%	0.08	42%	0.418	C	S	.	.			trans	-86.1	-9.1	167	55.4	0	0	0	0	113.7	K9 R10 D436 F489	T7-K9 PolarHBondContact O-N 2.76Å; T7-R10 PolarHBondContact O-N 2.96Å; T7-D436 VanDerWaalsContact N-CG 3.32Å; T7-D436 PolarHBondContact N-OD1 3.16Å; T7-D436 PolarHBondContact N-OD2 2.84Å; T7-D436 VanDerWaalsContact OG1-CB 3.3Å; T7-D436 WeakPolarHBondContact OG1-CB 3.48Å; T7-D436 PolarHBondContact OG1-OD2 3.16Å; T7-F489 HydrophobicContact CG2-CE1 3.59Å; T7-F489 HydrophobicContact CG2-CZ 3.72Å
8	L	38.4	Very low	37.6	Very low	66 Å²	66	87.2 Å²	87.2	35%	0.346	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-26.2	-168.8	-152	83.8	0	0	0	114	S6 R10 Y11 T12 P437	S6-L8 WeakPolarHBondContact OG-CB 3.03Å; S6-L8 PolarHBondContact OG-N 2.72Å; S6-L8 VanDerWaalsContact OG-N 3.07Å; L8-R10 PolarHBondContact O-N 3.15Å; L8-R10 VanDerWaalsContact O-N 3.16Å; L8-Y11 WeakPolarHBondContact O-CA 3.47Å; L8-Y11 PolarHBondContact O-N 2.82Å; L8-T12 HydrophobicContact CD2-CG2 3.8Å; L8-T12 HydrophobicContact CG-CG2 3.94Å; L8-T12 PolarHBondContact O-N 2.89Å; L8-T12 PolarHBondContact O-OG1 2.82Å; L8-P437 HydrophobicContact CD1-CG 3.96Å
9	K	30.5	Very low	37.1	Very low	132 Å²	132	89.7 Å²	89.7	57%	0.574	44%	0.443	S	S	*	.	H	α-helix	trans	-52.6	-35.5	173.2	-78.7	-166.4	174.3	-170.3	0	113	T7 Y11	T7-K9 PolarHBondContact O-N 2.76Å; K9-Y11 PolarHBondContact O-N 2.76Å
10	R	35.2	Very low	36.5	Very low	133 Å²	133	90 Å²	90	50%	0.502	46%	0.46	S	S	.	.	H	α-helix	trans	-72.8	-5.7	176.8	-61.7	-176	-177.1	147	2.1	114.4	T7 L8 R363	T7-R10 PolarHBondContact O-N 2.96Å; L8-R10 PolarHBondContact O-N 3.15Å; L8-R10 VanDerWaalsContact O-N 3.16Å; R10-R363 PolarHBondContact O-NH2 3.07Å
11	Y	35.6	Very low	36	Very low	50 Å²	50	93.7 Å²	93.7	20%	0.196	48%	0.475	C	S	.	.	H	α-helix	trans	-116.3	-35	-179.5	-69.4	-80.4	0	0	0	111.7	L8 K9 E13 R363 W439 D440	L8-Y11 WeakPolarHBondContact O-CA 3.47Å; L8-Y11 PolarHBondContact O-N 2.82Å; K9-Y11 PolarHBondContact O-N 2.76Å; Y11-E13 VanDerWaalsContact C-N 3.31Å; Y11-E13 PolarHBondContact O-N 3.07Å; Y11-R363 VanDerWaalsContact CD1-NH2 3.28Å; Y11-R363 VanDerWaalsContact CE1-NH2 3.33Å; Y11-W439 AromaticContact CE1-CD1 3.92Å; Y11-D440 PolarHBondContact OH-O 2.77Å
12	T	29.9	Very low	34.9	Very low	49 Å²	49	99.2 Å²	99.2	30%	0.301	50%	0.495	S	S	.	.	H	α-helix	trans	-72.9	-14.2	-177.2	51	0	0	0	0	115.6	L8 A15	L8-T12 HydrophobicContact CD2-CG2 3.8Å; L8-T12 HydrophobicContact CG-CG2 3.94Å; L8-T12 PolarHBondContact O-N 2.89Å; L8-T12 PolarHBondContact O-OG1 2.82Å; T12-A15 PolarHBondContact O-N 3.09Å
13	E	29.2	Very low	34.1	Very low	126 Å²	126	101.5 Å²	101.5	59%	0.589	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-28.7	-177.6	-73.7	177.2	165.8	0	0	112.7	Y11	Y11-E13 VanDerWaalsContact C-N 3.31Å; Y11-E13 PolarHBondContact O-N 3.07Å
14	S	32	Very low	33.1	Very low	50 Å²	50	104.3 Å²	104.3	35%	0.35	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-66.9	-42.5	168	-56.1	0	0	0	0	111.9	R16	S14-R16 PolarHBondContact O-N 2.82Å; S14-R16 VanDerWaalsContact O-N 3.11Å
15	A	28.2	Very low	32	Very low	60 Å²	60	106 Å²	106	50%	0.496	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-72	-2.4	-172.6	0	0	0	0	0	115.4	T12	T12-A15 PolarHBondContact O-N 3.09Å
16	R	28.6	Very low	31.1	Very low	198 Å²	198	109.1 Å²	109.1	75%	0.747	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-85.4	-7.4	178.5	-73.9	-172.9	-174	-176.4	4.4	114.7	S14	S14-R16 PolarHBondContact O-N 2.82Å; S14-R16 VanDerWaalsContact O-N 3.11Å
17	Y	31.5	Very low	30.1	Very low	217 Å²	217	119.8 Å²	119.8	85%	0.851	61%	0.611	S	S	*	*	S	Bend	trans	-87.1	-8	-176.3	-99.6	-82.3	0	0	0	115
18	T	30.3	Very low	28.8	Very low	95 Å²	95	122.5 Å²	122.5	58%	0.583	64%	0.641	S	S	*	*	S	Bend	trans	-114	-3.2	-166	55.8	0	0	0	0	115.7
19	D	28.5	Very low	28	Very low	136 Å²	136	123.2 Å²	123.2	73%	0.727	66%	0.656	S	S	*	*			trans	-122.4	84.3	-174.7	-161	-0.2	0	0	0	112.2
20	A	24.8	Very low	27.7	Very low	94 Å²	94	127.3 Å²	127.3	78%	0.777	67%	0.67	S	S	*	*			trans	-138.5	45.5	179	0	0	0	0	0	111.5	Y22	A20-Y22 PolarHBondContact O-N 3.34Å
21	H	26.4	Very low	27.2	Very low	168 Å²	168	126.7 Å²	126.7	78%	0.778	68%	0.681	S	S	*	*			trans	-73	121.5	178.3	-86.1	-78	0	0	0	112.6
22	Y	24.8	Very low	27.1	Very low	150 Å²	150	130.2 Å²	130.2	59%	0.588	71%	0.71	S	S	*	*			trans	-55.7	136.4	171.2	-106.4	-80.1	0	0	0	111.7	A20 D162	A20-Y22 PolarHBondContact O-N 3.34Å; Y22-D162 WeakPolarHBondContact CE2-OD2 3.31Å; Y22-D162 PolarHBondContact OH-OD2 2.8Å
23	S	25.8	Very low	26.8	Very low	120 Å²	120	133.4 Å²	133.4	84%	0.839	73%	0.734	S	S	*	*			trans	-144	132.6	164.6	-80.4	0	0	0	0	109.4
24	K	24.7	Very low	26.6	Very low	208 Å²	208	131.3 Å²	131.3	90%	0.904	73%	0.734	S	S	*	*			trans	-128.9	92.9	-162.3	-173.9	-177.1	-180	-178.4	0	111.4
25	S	26.6	Very low	26.4	Very low	132 Å²	132	139.9 Å²	139.9	92%	0.923	76%	0.76	S	S	*	*			trans	-164.8	145.3	166.2	-171.9	0	0	0	0	107.9
26	G	24.5	Very low	26.3	Very low	66 Å²	66	140.5 Å²	140.5	68%	0.68	77%	0.772	S	S	*	*			cis	-168.5	145.4	-5.1	0	0	0	0	0	107.9
27	Y	24.3	Very low	26.3	Very low	253 Å²	253	136 Å²	136	99%	0.992	78%	0.777	S	S	*	*			trans	-81.9	136.6	-169.3	-98.5	-90.6	0	0	0	113.9
28	G	24.1	Very low	26.2	Very low	69 Å²	69	133.3 Å²	133.3	71%	0.711	78%	0.777	S	S	*	*			trans	169.3	156.2	142.2	0	0	0	0	0	114.2
29	A	23.1	Very low	26	Very low	82 Å²	82	136.8 Å²	136.8	68%	0.678	79%	0.792	S	S	*	*			cis	-169.5	152.1	-28.4	0	0	0	0	0	108.2
30	Y	23.7	Very low	26.1	Very low	217 Å²	217	134.7 Å²	134.7	85%	0.851	79%	0.793	S	S	*	*			trans	62.9	153.5	170.1	-66.6	-85.7	0	0	0	117.3
31	T	24.5	Very low	26.4	Very low	120 Å²	120	134.9 Å²	134.9	74%	0.736	80%	0.795	S	S	*	*			cis	-156	156.8	-38.3	11.2	0	0	0	0	108.6
32	P	34.2	Very low	26.4	Very low	125 Å²	125	131.7 Å²	131.7	81%	0.812	79%	0.792	S	S	*	*			trans	-103	140	-176.7	37.1	-31.4	0	0	0	115.2
33	S	23.4	Very low	26.6	Very low	116 Å²	116	132 Å²	132	81%	0.811	80%	0.802	S	S	*	*			trans	-179.1	151.2	167.3	-174.8	0	0	0	0	109.4
34	S	25.5	Very low	26.8	Very low	82 Å²	82	133.2 Å²	133.2	57%	0.573	80%	0.799	S	S	*	*			cis	-168.6	172	-33.3	52.2	0	0	0	0	108.9
35	Y	27.1	Very low	27.1	Very low	230 Å²	230	130.2 Å²	130.2	90%	0.902	79%	0.788	S	S	*	*			trans	63.6	153.9	178.7	-59.2	-89	0	0	0	117.5
36	G	25.6	Very low	27.3	Very low	73 Å²	73	130.9 Å²	130.9	75%	0.753	77%	0.774	S	S	*	*			cis	137.1	118.2	-14.6	0	0	0	0	0	115.3
37	A	28.3	Very low	27.6	Very low	103 Å²	103	133.9 Å²	133.9	85%	0.851	77%	0.77	S	S	*	*			trans	-163.5	157.6	165.7	0	0	0	0	0	112.2
38	N	29	Very low	27.8	Very low	160 Å²	160	128.8 Å²	128.8	86%	0.856	75%	0.754	S	S	*	*			trans	-127.4	166.4	-176.5	-71.2	-58.8	0	0	0	112.6
39	L	27.9	Very low	28	Very low	169 Å²	169	135 Å²	135	89%	0.885	76%	0.761	S	S	*	*			trans	172.5	120.7	143.6	-87.3	147.7	0	0	0	106.5
40	A	29.5	Very low	28.1	Very low	92 Å²	92	134 Å²	134	76%	0.76	76%	0.759	S	S	*	*				69.9	133.6	54.6	0	0	0	0	0	113.4
41	A	30.6	Very low	28.3	Very low	98 Å²	98	133.4 Å²	133.4	81%	0.81	76%	0.761	S	S	*	*			cis	-157.7	-161.7	-9.2	0	0	0	0	0	108
42	S	28	Very low	28.6	Very low	101 Å²	101	136.3 Å²	136.3	71%	0.706	76%	0.764	S	S	*	*			cis	-160.3	153.1	4.1	67.4	0	0	0	0	110.4
43	L	28.5	Very low	29	Very low	155 Å²	155	136.3 Å²	136.3	81%	0.812	76%	0.763	S	S	*	*				90.1	142.9	103.6	-88.6	171	0	0	0	120.7
44	L	29.5	Very low	29.3	Very low	146 Å²	146	136.6 Å²	136.6	76%	0.764	76%	0.76	S	S	*	*			trans	70	126.3	170.5	-59.4	163.7	0	0	0	116.9
45	E	31.1	Very low	30.7	Very low	145 Å²	145	138.5 Å²	138.5	68%	0.678	77%	0.77	S	S	*	*			cis	78.3	137.3	46.9	-64.2	-136.5	130.9	0	0	114.2
46	K	31.1	Very low	30.7	Very low	147 Å²	147	132.5 Å²	132.5	64%	0.639	77%	0.769	S	S	*	*			cis	-161.2	155.5	6.1	-129.5	-176.7	179.5	84.8	0	113.2
47	E	30.2	Very low	30.9	Very low	128 Å²	128	134.1 Å²	134.1	60%	0.598	77%	0.768	S	S	*	*			trans	70.4	132.3	148.6	-56.7	-130.8	121	0	0	126.5
48	K	30	Very low	31	Very low	147 Å²	147	133.4 Å²	133.4	64%	0.639	76%	0.757	S	S	*	*			trans	39.1	130.8	134.3	-57.8	169	-174.8	146.7	0	120
49	F	27.3	Very low	31.1	Very low	199 Å²	199	135.6 Å²	135.6	87%	0.873	76%	0.759	S	S	*	*				-156.1	175.5	63.2	-102.5	-87.5	0	0	0	112.3
50	G	25.6	Very low	31.3	Very low	61 Å²	61	134.7 Å²	134.7	63%	0.629	76%	0.755	S	S	*	*			trans	-163.3	164.6	169.8	0	0	0	0	0	113.4
51	F	27.5	Very low	31.2	Very low	204 Å²	204	137.6 Å²	137.6	90%	0.895	76%	0.763	S	S	*	*			trans	-159.4	150.8	168.2	-111.2	-75.5	0	0	0	112.5
52	K	31.6	Very low	31.2	Very low	182 Å²	182	143.8 Å²	143.8	79%	0.791	77%	0.766	S	S	*	*			trans	-135.8	149.5	156.7	-85.4	-170.2	175.4	-177.2	0	107.5
53	P	41.1	Very low	31.9	Very low	124 Å²	124	145 Å²	145	81%	0.805	77%	0.771	S	S	*	*				-138.6	-163.7	115.1	25.8	-5.4	0	0	0	114.1
54	V	29.8	Very low	32	Very low	122 Å²	122	148 Å²	148	74%	0.739	77%	0.772	S	S	*	*			trans	-148.6	178.9	-163.7	-165.4	0	0	0	0	105.8
55	P	56.3	Low	32.2	Very low	122 Å²	122	146.4 Å²	146.4	79%	0.792	77%	0.768	S	S	*	*			cis	-119.8	-174.9	-21.1	11.9	14.4	0	0	0	113.9
56	A	27.3	Very low	32.2	Very low	105 Å²	105	150.7 Å²	150.7	87%	0.868	78%	0.779	S	S	*	*			trans	-153.7	169.1	144.8	0	0	0	0	0	111
57	S	29.6	Very low	32.1	Very low	106 Å²	106	146.6 Å²	146.6	74%	0.741	78%	0.779	S	S	*	*			trans	-134.9	146.2	-165.2	56.5	0	0	0	0	116
58	S	30.5	Very low	33	Very low	89 Å²	89	146.4 Å²	146.4	62%	0.622	79%	0.789	S	S	*	*			trans	39.7	131.5	146.4	62.5	0	0	0	0	121.8
59	F	30.3	Very low	33.1	Very low	205 Å²	205	144.9 Å²	144.9	90%	0.899	80%	0.796	S	S	*	*				-167.5	177.5	121.2	-102.1	-60	0	0	0	113.1
60	L	31.3	Very low	33.4	Very low	151 Å²	151	139.8 Å²	139.8	79%	0.791	79%	0.785	S	S	*	*			trans	-96	155.2	-170.9	-64	157.7	0	0	0	112.6
61	T	28.2	Very low	33.8	Very low	153 Å²	153	144.1 Å²	144.1	94%	0.939	79%	0.793	S	S	*	*				177.7	175.3	118.9	30	0	0	0	0	113.1
62	R	30.6	Very low	34	Very low	228 Å²	228	141.1 Å²	141.1	86%	0.86	79%	0.785	S	S	*	*			trans	-139.6	140.9	-172.3	-175.7	-166.2	-166.4	-173.9	9.2	109.3
63	P	42.7	Very low	34.2	Very low	125 Å²	125	138.7 Å²	138.7	81%	0.812	78%	0.781	S	S	*	*			trans	-110.6	-177.8	157.4	-1.8	23.3	0	0	0	113.4
64	R	31.6	Very low	33.8	Very low	220 Å²	220	143.6 Å²	143.6	83%	0.83	79%	0.785	S	S	*	*			trans	-144.2	144.9	-158.3	-148.8	-174.1	-174.6	179.9	0.6	111.2
65	T	32.3	Very low	34.1	Very low	111 Å²	111	143.9 Å²	143.9	68%	0.681	78%	0.783	S	S	*	*			trans	49.5	133	149.7	46	0	0	0	0	121.9
66	Y	31.6	Very low	33	Very low	236 Å²	236	149.3 Å²	149.3	93%	0.925	79%	0.787	S	S	*	*				-158.9	156	116.6	-105.8	-72.8	0	0	0	111.3
67	G	29.1	Very low	33.1	Very low	61 Å²	61	147.7 Å²	147.7	63%	0.629	78%	0.781	S	S	*	*			trans	-109.8	-170.7	168.6	0	0	0	0	0	111.2
68	P	49.2	Very low	33.4	Very low	123 Å²	123	152.2 Å²	152.2	80%	0.799	78%	0.782	S	S	*	*				-153.8	174	65.1	41.6	-21.5	0	0	0	118.6
69	S	32.4	Very low	34.1	Very low	115 Å²	115	153.7 Å²	153.7	80%	0.804	79%	0.789	S	S	*	*			trans	36.5	151.4	138.3	-58.3	0	0	0	0	124
70	S	34.1	Very low	34.6	Very low	92 Å²	92	150.5 Å²	150.5	64%	0.643	78%	0.78	S	S	*	*			cis	-179.9	179.2	-9.7	51.5	0	0	0	0	111.4
71	I	32.7	Very low	34.4	Very low	152 Å²	152	151.6 Å²	151.6	78%	0.779	79%	0.786	S	S	*	*			trans	78.4	136.5	157.7	-85.6	161.6	0	0	0	116.3
72	L	32.1	Very low	34.6	Very low	141 Å²	141	153.7 Å²	153.7	74%	0.738	78%	0.777	S	S	*	*			cis	-145.4	165.5	8.9	-122.1	168.9	0	0	0	114
73	D	34.7	Very low	35.8	Very low	131 Å²	131	147.7 Å²	147.7	70%	0.701	77%	0.767	S	S	*	*			trans	-74.4	165.6	-170.7	-50.3	-60.2	0	0	0	118.6
74	Y	32.6	Very low	35.3	Very low	228 Å²	228	147.3 Å²	147.3	89%	0.894	76%	0.759	S	S	*	*				-160	167.4	103.7	-124.5	-94.7	0	0	0	114.2
75	D	36.1	Very low	35.4	Very low	128 Å²	128	144.3 Å²	144.3	68%	0.684	76%	0.757	S	S	*	*			trans	-132.2	158.9	-153.2	171.6	54.5	0	0	0	115.9
76	R	34.6	Very low	35.5	Very low	236 Å²	236	146 Å²	146	89%	0.891	77%	0.768	S	S	*	*			trans	153.5	139.4	143.7	-86.1	169.5	177.8	-170.1	0.3	111.2
77	G	28.3	Very low	35.4	Very low	71 Å²	71	138.5 Å²	138.5	73%	0.732	76%	0.762	S	S	*	*			cis	177.5	168.6	-5.6	0	0	0	0	0	112.5
78	R	35.7	Very low	35.3	Very low	201 Å²	201	139.2 Å²	139.2	76%	0.758	77%	0.769	S	S	*	*			trans	-146.3	159.8	177.7	-158	-168.7	-148	-132.9	7	109.6
79	P	45.8	Very low	34.5	Very low	120 Å²	120	136.9 Å²	136.9	78%	0.779	77%	0.767	S	S	*	*			trans	-138.6	169.1	136.8	29.9	-12.6	0	0	0	115
80	L	40.1	Very low	34.5	Very low	137 Å²	137	141.1 Å²	141.1	72%	0.717	77%	0.772	S	S	*	*			trans	-126.6	160.7	163.1	-75.6	170.2	0	0	0	107.3
81	L	28.5	Very low	34.4	Very low	175 Å²	175	148.3 Å²	148.3	92%	0.916	79%	0.785	S	S	*	*			trans	-161.9	179.7	147.4	-111	168.2	0	0	0	112.2
82	R	31.4	Very low	34.3	Very low	197 Å²	197	145.9 Å²	145.9	74%	0.743	79%	0.787	S	S	*	*			trans	-150.2	-173.6	-164.5	-134.6	-168	164.4	-163.1	-6.6	105.9	D84	R82-D84 IonicContact CZ-OD1 3.33Å; R82-D84 IonicContact CZ-OD2 3.53Å; R82-D84 IonicContact NE-OD1 3.85Å; R82-D84 PolarHBondContact NE-OD1 2.84Å; R82-D84 IonicContact NH2-OD1 2.92Å; R82-D84 PolarHBondContact NH2-OD1 3.4Å; R82-D84 IonicContact NH2-OD2 3.61Å
83	P	56.7	Low	34.3	Very low	101 Å²	101	147.9 Å²	147.9	66%	0.656	79%	0.793	S	S	*	*			cis	-142.3	169.2	-3.7	42.6	-23.9	0	0	0	119.2
84	D	31.3	Very low	34.2	Very low	118 Å²	118	147 Å²	147	63%	0.631	80%	0.797	S	S	*	*			trans	56.2	-169.4	136.1	-61.6	25.6	0	0	0	116.2	R82	R82-D84 IonicContact CZ-OD1 3.33Å; R82-D84 IonicContact CZ-OD2 3.53Å; R82-D84 IonicContact NE-OD1 3.85Å; R82-D84 PolarHBondContact NE-OD1 2.84Å; R82-D84 IonicContact NH2-OD1 2.92Å; R82-D84 PolarHBondContact NH2-OD1 3.4Å; R82-D84 IonicContact NH2-OD2 3.61Å
85	I	34.5	Very low	34.1	Very low	156 Å²	156	144.3 Å²	144.3	80%	0.8	79%	0.792	S	S	*	*			cis	-146.3	136.5	14.7	-173.8	174.9	0	0	0	114.1
86	T	33.5	Very low	33.8	Very low	148 Å²	148	144.2 Å²	144.2	91%	0.908	80%	0.796	S	S	*	*			trans	-173.7	162.9	160	8.1	0	0	0	0	108.1
87	G	29.6	Very low	33.5	Very low	78 Å²	78	145 Å²	145	80%	0.804	80%	0.8	S	S	*	*			cis	-171.9	-35.5	-4.2	0	0	0	0	0	113.7
88	G	27.9	Very low	33.4	Very low	75 Å²	75	144.5 Å²	144.5	77%	0.773	79%	0.794	S	S	*	*			trans	-166.4	170.7	177.1	0	0	0	0	0	112
89	G	32.3	Very low	33.1	Very low	74 Å²	74	141.1 Å²	141.1	76%	0.763	80%	0.796	S	S	*	*			cis	87.8	132.4	3.7	0	0	0	0	0	112.9
90	K	32.4	Very low	32.3	Very low	205 Å²	205	144.2 Å²	144.2	89%	0.891	80%	0.8	S	S	*	*			cis	-139.5	146.8	3.2	-55.1	171.6	-171.9	172.5	0	107.7
91	R	32.6	Very low	31.9	Very low	243 Å²	243	147.9 Å²	147.9	92%	0.917	80%	0.804	S	S	*	*			cis	82.3	108.2	29.1	-160.9	-170.9	-163.1	-166.9	7	114.8
92	A	29.2	Very low	32.4	Very low	100 Å²	100	145.7 Å²	145.7	83%	0.826	80%	0.8	S	S	*	*			trans	-165	157.8	155.2	0	0	0	0	0	111.1
93	E	32.7	Very low	32.3	Very low	184 Å²	184	141.4 Å²	141.4	86%	0.86	80%	0.801	S	S	*	*			trans	-133.4	172.3	174.5	-70.1	177.2	95.8	0	0	110.4
94	S	31.9	Very low	31	Very low	113 Å²	113	139.9 Å²	139.9	79%	0.79	80%	0.803	S	S	*	*			trans	107.2	121.9	148.3	78.1	0	0	0	0	121.8
95	Q	31.6	Very low	31	Very low	171 Å²	171	140.5 Å²	140.5	80%	0.799	82%	0.817	S	S	*	*			trans	70.2	104.2	137.8	-67.3	-171.4	11.1	0	0	125.4
96	T	30.1	Very low	30.7	Very low	125 Å²	125	136.2 Å²	136.2	77%	0.767	81%	0.811	S	S	*	*				73.5	156.1	123.5	65.8	0	0	0	0	123.9
97	R	27.8	Very low	30.5	Very low	254 Å²	254	137.5 Å²	137.5	96%	0.958	81%	0.812	S	S	*	*			trans	68.1	142.4	178.5	-102.7	176.5	172.3	163.1	-3.5	114.4
98	G	26.2	Very low	30.5	Very low	60 Å²	60	139.5 Å²	139.5	62%	0.619	81%	0.813	S	S	*	*			cis	168.6	161.7	-9.2	0	0	0	0	0	112.6
99	T	28.6	Very low	30.4	Very low	130 Å²	130	139.5 Å²	139.5	80%	0.798	81%	0.813	S	S	*	*			trans	62.9	126.2	160.7	34.2	0	0	0	0	121.9
100	E	28.4	Very low	30.2	Very low	185 Å²	185	139.7 Å²	139.7	86%	0.864	82%	0.815	S	S	*	*				107.5	154.5	128.2	-85.5	174.6	-148.3	0	0	124.1
101	R	32.5	Very low	30	Very low	214 Å²	214	136 Å²	136	81%	0.808	82%	0.815	S	S	*	*			trans	-100.3	165.4	-176.1	-56.9	169	170.8	165.7	-5.2	109.9
102	P	39.3	Very low	29.7	Very low	128 Å²	128	127.6 Å²	127.6	83%	0.831	80%	0.804	S	S	*	*			trans	-94.5	142.6	141	33.8	-28.6	0	0	0	111.4
103	S	29.8	Very low	29.9	Very low	107 Å²	107	133 Å²	133	75%	0.748	81%	0.81	S	S	*	*			trans	-156.5	125.8	167.6	-66.4	0	0	0	0	109
104	G	28.9	Very low	30.6	Very low	69 Å²	69	129 Å²	129	71%	0.711	80%	0.8	S	S	*	*			trans	162.2	117.1	173.3	0	0	0	0	0	115.9
105	S	31.6	Very low	30.5	Very low	132 Å²	132	135.3 Å²	135.3	92%	0.923	81%	0.808	S	S	*	*			trans	48.9	134.6	149.5	53.7	0	0	0	0	121.5
106	G	26.7	Very low	30.2	Very low	66 Å²	66	130.6 Å²	130.6	68%	0.68	81%	0.805	S	S	*	*			cis	156.7	178.9	-4.7	0	0	0	0	0	113.8
107	L	30.6	Very low	30.1	Very low	175 Å²	175	131 Å²	131	92%	0.916	81%	0.807	S	S	*	*			trans	70	140.1	172.2	-49.5	179.3	0	0	0	114.7
108	S	29.4	Very low	30	Very low	120 Å²	120	124.7 Å²	124.7	84%	0.839	80%	0.802	S	S	*	*			cis	-149.2	165.9	-2.9	-71.1	0	0	0	0	108
109	G	26.7	Very low	30	Very low	75 Å²	75	129.1 Å²	129.1	77%	0.773	81%	0.811	S	S	*	*			cis	165.8	140.1	-5.7	0	0	0	0	0	111.8
110	G	27.1	Very low	29.8	Very low	78 Å²	78	131 Å²	131	80%	0.804	82%	0.817	S	S	*	*			trans	72.1	158.3	168.1	0	0	0	0	0	118.4
111	S	29.1	Very low	29.6	Very low	126 Å²	126	127.7 Å²	127.7	88%	0.881	81%	0.812	S	S	*	*			cis	178.5	148.3	-17.1	42.5	0	0	0	0	109.3
112	G	26.4	Very low	29.4	Very low	67 Å²	67	125.2 Å²	125.2	69%	0.691	82%	0.815	S	S	*	*			cis	164.5	172.1	-6.5	0	0	0	0	0	113.5
113	F	32.3	Very low	28.6	Very low	214 Å²	214	123.7 Å²	123.7	94%	0.939	81%	0.807	S	S	*	*			trans	79.4	154	163.5	-64.9	-55.7	0	0	0	122
114	P	46.8	Very low	28.3	Very low	100 Å²	100	129 Å²	129	65%	0.649	81%	0.812	S	S	*	*			trans	-143.1	-170.2	-146.9	43.7	-22.1	0	0	0	115.6
115	Y	29.8	Very low	28.1	Very low	245 Å²	245	133.3 Å²	133.3	96%	0.961	82%	0.818	S	S	*	*			trans	-171.3	154.6	142.5	-84.3	-63.3	0	0	0	107.4
116	G	26.8	Very low	28.4	Very low	72 Å²	72	132.4 Å²	132.4	74%	0.742	81%	0.809	S	S	*	*			cis	-164.6	159.2	-3.6	0	0	0	0	0	111.2
117	V	26.8	Very low	28.3	Very low	134 Å²	134	138 Å²	138	81%	0.812	82%	0.819	S	S	*	*			trans	-82.3	151.5	-166.8	171.9	0	0	0	0	114.2
118	S	25.6	Very low	27.9	Very low	122 Å²	122	137.1 Å²	137.1	85%	0.853	82%	0.816	S	S	*	*			trans	-159.2	133.3	143	-82.7	0	0	0	0	113
119	N	26.2	Very low	27.8	Very low	152 Å²	152	135.9 Å²	135.9	81%	0.813	81%	0.813	S	S	*	*			trans	-110.4	156.1	174.9	-98.1	-14.3	0	0	0	110.1
120	N	24.7	Very low	27.7	Very low	170 Å²	170	143 Å²	143	91%	0.909	82%	0.818	S	S	*	*			trans	-164.4	158.1	130.4	-113	-10.8	0	0	0	113.7
121	C	24.3	Very low	27.5	Very low	115 Å²	115	146.8 Å²	146.8	78%	0.777	82%	0.82	S	S	*	*			trans	-156	-179.9	179.4	-166.2	0	0	0	0	109.5
122	L	27.6	Very low	27.4	Very low	163 Å²	163	149.1 Å²	149.1	85%	0.853	82%	0.817	S	S	*	*			trans	83.1	146.5	-174.7	-54.6	161	0	0	0	114.6
123	S	23.7	Very low	27.3	Very low	96 Å²	96	149.4 Å²	149.4	67%	0.671	82%	0.82	S	S	*	*			cis	-169.8	158.5	-17.5	49.6	0	0	0	0	112.6
124	Y	23.9	Very low	27	Very low	218 Å²	218	145.2 Å²	145.2	86%	0.855	81%	0.812	S	S	*	*			trans	-3.7	142.6	154.7	-73.4	-92	0	0	0	119.6
125	L	24.9	Very low	25.9	Very low	159 Å²	159	146.6 Å²	146.6	83%	0.832	82%	0.818	S	S	*	*				-161.2	179.5	61.1	-95.4	-178.3	0	0	0	112.6
126	P	36.7	Very low	25.6	Very low	113 Å²	113	142.8 Å²	142.8	73%	0.734	81%	0.814	S	S	*	*			trans	-110.1	177.3	-161.6	42.8	-38.4	0	0	0	117.4
127	M	24.3	Very low	25.5	Very low	183 Å²	183	144.8 Å²	144.8	90%	0.901	81%	0.812	S	S	*	*			trans	-150.2	160	157.4	-115.4	-59.4	176.6	0	0	112.9
128	N	23.6	Very low	25.6	Very low	157 Å²	157	146.9 Å²	146.9	84%	0.84	81%	0.813	S	S	*	*			trans	-111.2	144.2	178.6	-74.2	-37.7	0	0	0	111.5
129	A	26.2	Very low	25.5	Very low	95 Å²	95	148 Å²	148	79%	0.785	80%	0.802	S	S	*	*			trans	-178.8	139.2	133.3	0	0	0	0	0	113.4
130	Y	24.1	Very low	25.6	Very low	225 Å²	225	146.3 Å²	146.3	88%	0.882	80%	0.803	S	S	*	*			trans	-0.9	127.5	156	-67.2	-96.7	0	0	0	120.7
131	D	24	Very low	25.8	Very low	157 Å²	157	143 Å²	143	84%	0.84	79%	0.785	S	S	*	*				-150.2	171.3	106.3	-154.5	-1	0	0	0	111.4
132	Q	27.3	Very low	26	Very low	174 Å²	174	139.7 Å²	139.7	81%	0.813	76%	0.763	S	S	*	*			trans	-88	109.7	-165.2	-60.7	-177.4	1.1	0	0	114.2
133	G	24.7	Very low	26.6	Very low	73 Å²	73	139.9 Å²	139.9	75%	0.753	76%	0.76	S	S	*	*			trans	-95.2	111.9	167.3	0	0	0	0	0	112.4	T135	G133-T135 PolarHBondContact O-N 3.29Å
134	V	25.3	Very low	27	Very low	127 Å²	127	138.8 Å²	138.8	77%	0.77	75%	0.752	S	S	*	*			trans	-71.5	110.8	179.9	177.8	0	0	0	0	111.3	L136	V134-L136 HydrophobicContact CG1-CG 4.32Å; V134-L136 PolarHBondContact O-N 3.07Å
135	T	23.1	Very low	27.3	Very low	129 Å²	129	132.6 Å²	132.6	79%	0.791	73%	0.733	S	S	*	*			trans	-77.1	109	167.8	43.2	0	0	0	0	111.1	G133	G133-T135 PolarHBondContact O-N 3.29Å
136	L	24.6	Very low	27.7	Very low	164 Å²	164	130 Å²	130	86%	0.859	72%	0.72	S	S	*	*			trans	-100.3	120.6	164.7	-87.4	166.7	0	0	0	110.4	V134	V134-L136 HydrophobicContact CG1-CG 4.32Å; V134-L136 PolarHBondContact O-N 3.07Å
137	T	23.6	Very low	27.5	Very low	115 Å²	115	128.5 Å²	128.5	71%	0.706	72%	0.717	S	S	*	*			trans	-107.4	158	179.8	51.3	0	0	0	0	111.1
138	Q	29.5	Very low	27.9	Very low	178 Å²	178	129.5 Å²	129.5	83%	0.832	71%	0.711	S	S	*	*			trans	69.7	161.7	171.4	-57	-171.1	-16	0	0	115.2
139	K	24.3	Very low	28.2	Very low	144 Å²	144	127 Å²	127	63%	0.626	70%	0.697	S	S	*	*			cis	-128.6	155.5	11.9	-68.4	175.5	169.4	-165.8	0	113.9
140	S	27.9	Very low	28.5	Very low	118 Å²	118	131.1 Å²	131.1	83%	0.825	70%	0.698	S	S	*	*			trans	-143	119.5	151.7	57.7	0	0	0	0	106.3
141	D	27.9	Very low	28.7	Very low	100 Å²	100	125.6 Å²	125.6	54%	0.535	69%	0.692	S	S	.	*			trans	-88.5	147.5	-150.5	-58.6	-73.6	0	0	0	116.2
142	S	29.7	Very low	29	Very low	46 Å²	46	122.4 Å²	122.4	32%	0.322	68%	0.682	S	S	.	*			trans	-98.5	151.9	176.6	93.9	0	0	0	0	112.4	S144 D145	S142-S144 PolarHBondContact O-N 3.16Å; S142-D145 PolarHBondContact O-N 3.17Å; S142-D145 PolarHBondContact OG-OD2 2.89Å; S142-D145 VanDerWaalsContact OG-OD2 3.06Å
143	Q	38.8	Very low	29	Very low	167 Å²	167	121.6 Å²	121.6	78%	0.78	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	4.7	-161.5	-158.7	159.1	88.6	0	0	116.1
144	S	32	Very low	29	Very low	72 Å²	72	130.1 Å²	130.1	50%	0.503	69%	0.692	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.1	-26	175.9	52.1	0	0	0	0	115.2	S142	S142-S144 PolarHBondContact O-N 3.16Å
145	D	31.7	Very low	29.1	Very low	88 Å²	88	130.6 Å²	130.6	47%	0.471	70%	0.696	S	S	.	*	G	3₁₀ helix	trans	-90.1	-23.8	-158.2	-53.8	-36.8	0	0	0	112.9	S142 A147 R148	S142-D145 PolarHBondContact O-N 3.17Å; S142-D145 PolarHBondContact OG-OD2 2.89Å; S142-D145 VanDerWaalsContact OG-OD2 3.06Å; D145-A147 PolarHBondContact O-N 3.29Å; D145-R148 PolarHBondContact O-N 2.68Å
146	L	33.3	Very low	29.3	Very low	104 Å²	104	129.1 Å²	129.1	55%	0.545	69%	0.69	S	S	.	*	G	3₁₀ helix	trans	-59.5	-4.8	174	-69.2	171.4	0	0	0	114.8	F150	L146-F150 WeakPolarHBondContact O-CD2 3.44Å
147	A	31.8	Very low	29.4	Very low	82 Å²	82	128.2 Å²	128.2	68%	0.678	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-91.1	-17.2	177.8	0	0	0	0	0	114.6	D145	D145-A147 PolarHBondContact O-N 3.29Å
148	R	32.6	Very low	29.4	Very low	205 Å²	205	130 Å²	130	77%	0.774	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-42.7	-176.2	-67.3	-174.4	75.1	127.7	-1.7	113.6	D145 F150 S151	D145-R148 PolarHBondContact O-N 2.68Å; R148-F150 VanDerWaalsContact C-N 3.29Å; R148-F150 PolarHBondContact O-N 3.14Å; R148-S151 PolarHBondContact O-N 2.78Å
149	D	31	Very low	29.3	Very low	103 Å²	103	132.9 Å²	132.9	55%	0.551	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-66.9	-25.6	-169.6	-69.8	-0.9	0	0	0	113.9	S151 S152	D149-S151 PolarHBondContact O-N 2.98Å; D149-S151 VanDerWaalsContact O-N 3.14Å; D149-S152 PolarHBondContact O-N 3.45Å
150	F	30.7	Very low	29.3	Very low	182 Å²	182	136 Å²	136	80%	0.798	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-70.3	-2.9	177.7	-79.5	-78.7	0	0	0	115.7	L146 R148	L146-F150 WeakPolarHBondContact O-CD2 3.44Å; R148-F150 VanDerWaalsContact C-N 3.29Å; R148-F150 PolarHBondContact O-N 3.14Å
151	S	28.8	Very low	29.3	Very low	110 Å²	110	138.6 Å²	138.6	77%	0.769	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-92.4	-8.5	176.4	-57.3	0	0	0	0	113.8	R148 D149	R148-S151 PolarHBondContact O-N 2.78Å; D149-S151 PolarHBondContact O-N 2.98Å; D149-S151 VanDerWaalsContact O-N 3.14Å
152	S	30.9	Very low	29.2	Very low	90 Å²	90	138.7 Å²	138.7	63%	0.629	71%	0.708	S	S	*	*	S	Bend	trans	-108.6	-8.1	-159	-53.9	0	0	0	0	115.7	D149	D149-S152 PolarHBondContact O-N 3.45Å
153	L	26.6	Very low	29.5	Very low	157 Å²	157	142.2 Å²	142.2	82%	0.822	73%	0.73	S	S	*	*			trans	-127.2	94.8	-175	-69.8	174.1	0	0	0	112.1
154	R	25.5	Very low	28.8	Very low	251 Å²	251	137.8 Å²	137.8	95%	0.947	73%	0.729	S	S	*	*			trans	-131.4	85.4	162.5	-87.2	-166.3	173.4	-154.6	1.2	110.4
155	T	27.3	Very low	28.5	Very low	138 Å²	138	142.6 Å²	142.6	85%	0.847	75%	0.749	S	S	*	*			trans	-139.5	150.6	153.8	37.9	0	0	0	0	108
156	S	27	Very low	28.3	Very low	97 Å²	97	146.7 Å²	146.7	68%	0.678	77%	0.77	S	S	*	*			trans	-79.6	162.9	-178.2	53.9	0	0	0	0	111
157	D	25.8	Very low	27.8	Very low	146 Å²	146	145 Å²	145	78%	0.781	78%	0.778	S	S	*	*				-160	169.1	75.2	-79.7	-26.3	0	0	0	113.7
158	N	24.7	Very low	27.5	Very low	153 Å²	153	153.1 Å²	153.1	82%	0.818	79%	0.791	S	S	*	*			trans	-107	132.9	-175.2	-72.1	-67.5	0	0	0	112.6
159	Y	26.9	Very low	27.2	Very low	238 Å²	238	148.8 Å²	148.8	93%	0.933	79%	0.792	S	S	*	*			trans	-138	140.3	150.3	-92.8	-82.2	0	0	0	110.8
160	R	24.5	Very low	27.4	Very low	210 Å²	210	149.5 Å²	149.5	79%	0.792	80%	0.802	S	S	*	*			trans	-129.4	132.5	179.3	-97.9	-176.8	167.8	175.4	-4.7	109.4
161	I	27.7	Very low	27.1	Very low	171 Å²	171	148.7 Å²	148.7	88%	0.877	80%	0.803	S	S	*	*			trans	-137	140.8	153.9	-60.6	-176.2	0	0	0	106.6
162	D	26.7	Very low	27	Very low	102 Å²	102	150.5 Å²	150.5	55%	0.545	80%	0.803	S	S	.	*			trans	-133.3	173.6	-179.1	-128	-15.7	0	0	0	108	Y22	Y22-D162 WeakPolarHBondContact CE2-OD2 3.31Å; Y22-D162 PolarHBondContact OH-OD2 2.8Å
163	P	34.8	Very low	27.2	Very low	121 Å²	121	150.9 Å²	150.9	79%	0.786	81%	0.811	S	S	*	*				-124.3	168.6	-120.2	36.9	-20.2	0	0	0	115.1
164	G	24.6	Very low	27.6	Very low	74 Å²	74	152.7 Å²	152.7	76%	0.763	81%	0.808	S	S	*	*			trans	141.4	106.5	154	0	0	0	0	0	115.9
165	N	26.1	Very low	28.5	Very low	172 Å²	172	145.8 Å²	145.8	92%	0.92	79%	0.793	S	S	*	*				-160.5	156.6	106.5	-136.5	-25.9	0	0	0	112
166	L	27.4	Very low	29	Very low	174 Å²	174	149.9 Å²	149.9	91%	0.911	79%	0.793	S	S	*	*			trans	-106.5	129.5	175.2	-95.1	160.1	0	0	0	109.9
167	G	22.8	Very low	29.5	Very low	69 Å²	69	153.9 Å²	153.9	71%	0.711	80%	0.798	S	S	*	*			trans	178.6	110.6	174.7	0	0	0	0	0	116.3
168	R	24.9	Very low	30.2	Very low	252 Å²	252	151 Å²	151	95%	0.951	78%	0.78	S	S	*	*			trans	65.1	101.7	159	-58.3	-179.8	-179.5	-119.8	-0.4	118.6
169	S	27.4	Very low	30.9	Very low	115 Å²	115	149.2 Å²	149.2	80%	0.804	77%	0.77	S	S	*	*			trans	-61.8	162.7	138.6	-45	0	0	0	0	109.8
170	P	34.1	Very low	31.5	Very low	117 Å²	117	142 Å²	142	76%	0.76	75%	0.753	S	S	*	*			cis	-146.9	166.5	37.9	43	-23.1	0	0	0	119.9
171	M	24.7	Very low	32.3	Very low	166 Å²	166	136.6 Å²	136.6	82%	0.818	74%	0.744	S	S	*	*			trans	62.4	130.3	142.8	-77.6	-63.3	-177.6	0	0	123.6
172	L	27.5	Very low	32.6	Very low	148 Å²	148	133.4 Å²	133.4	78%	0.775	73%	0.728	S	S	*	*			trans	78.1	113.4	145.2	-66.8	169.2	0	0	0	121.6
173	A	34.4	Very low	33.2	Very low	97 Å²	97	135.5 Å²	135.5	80%	0.802	74%	0.735	S	S	*	*			trans	36.3	112.9	132.9	0	0	0	0	0	119.5
174	R	34.1	Very low	33.4	Very low	196 Å²	196	132 Å²	132	74%	0.74	72%	0.72	S	S	*	*			trans	-131.8	158.2	160.5	-65.8	-157.5	178.5	-167.1	-1.4	111.8	E178	R174-E178 WeakPolarHBondContact CD-OE1 3.39Å; R174-E178 WeakPolarHBondContact CD-OE2 3.13Å; R174-E178 IonicContact CZ-OE1 2.68Å; R174-E178 IonicContact CZ-OE2 2.78Å; R174-E178 IonicContact NE-OE2 3.72Å; R174-E178 IonicContact NH1-OE1 3.89Å; R174-E178 PolarHBondContact NH1-OE1 3.49Å; R174-E178 VanDerWaalsContact NH1-OE1 3.16Å; R174-E178 IonicContact NH1-OE2 2.63Å; R174-E178 PolarHBondContact NH1-OE2 3.06Å
175	T	44.7	Very low	34	Very low	105 Å²	105	134.1 Å²	134.1	64%	0.644	71%	0.714	S	S	*	*			trans	-96.5	162.7	-164.1	60.3	0	0	0	0	113.8	K177 E178	T175-K177 PolarHBondContact O-N 3.26Å; T175-E178 PolarHBondContact O-N 2.68Å; T175-E178 VanDerWaalsContact O-N 3.16Å
176	R	38.6	Very low	34.4	Very low	224 Å²	224	135.3 Å²	135.3	85%	0.845	71%	0.707	S	S	*	*	H	α-helix	trans	-51.3	-18.4	-176.9	-168.3	174.5	-178	175	1.3	115.3
177	K	38.3	Very low	35	Very low	182 Å²	182	134.8 Å²	134.8	79%	0.791	70%	0.699	S	S	*	*	H	α-helix	trans	-77.6	-25.7	-177.6	-152.3	172.8	-175.2	-179.5	0	113.7	T175	T175-K177 PolarHBondContact O-N 3.26Å
178	E	39.5	Very low	35.6	Very low	84 Å²	84	135.5 Å²	135.5	39%	0.393	70%	0.698	S	S	.	*	H	α-helix	trans	-78.7	-26.9	177.8	-68.8	-171.7	-163.8	0	0	113.2	R174 T175 C180 T181 L182	R174-E178 WeakPolarHBondContact CD-OE1 3.39Å; R174-E178 WeakPolarHBondContact CD-OE2 3.13Å; R174-E178 IonicContact CZ-OE1 2.68Å; R174-E178 IonicContact CZ-OE2 2.78Å; R174-E178 IonicContact NE-OE2 3.72Å; R174-E178 IonicContact NH1-OE1 3.89Å; R174-E178 PolarHBondContact NH1-OE1 3.49Å; R174-E178 VanDerWaalsContact NH1-OE1 3.16Å; R174-E178 IonicContact NH1-OE2 2.63Å; R174-E178 PolarHBondContact NH1-OE2 3.06Å; T175-E178 PolarHBondContact O-N 2.68Å; T175-E178 VanDerWaalsContact O-N 3.16Å; E178-C180 VanDerWaalsContact C-N 3.31Å; E178-C180 PolarHBondContact O-N 2.94Å; E178-T181 PolarHBondContact O-N 3.07Å; E178-L182 PolarHBondContact O-N 2.99Å
179	L	39.3	Very low	36.2	Very low	117 Å²	117	127.8 Å²	127.8	61%	0.613	69%	0.689	S	S	*	*	H	α-helix	trans	-61.3	-37.1	177.5	-80.9	163	0	0	0	112.5	T181 L182 Q183	L179-T181 VanDerWaalsContact C-N 3.34Å; L179-T181 PolarHBondContact O-N 3.22Å; L179-L182 PolarHBondContact O-N 3Å; L179-Q183 PolarHBondContact O-N 2.79Å
180	C	40.5	Very low	36.8	Very low	86 Å²	86	127 Å²	127	58%	0.581	68%	0.683	S	S	*	*	H	α-helix	trans	-67.7	-32.4	177.4	-63.4	0	0	0	0	112.7	E178 Q183 G184	E178-C180 VanDerWaalsContact C-N 3.31Å; E178-C180 PolarHBondContact O-N 2.94Å; C180-Q183 PolarHBondContact O-N 3.47Å; C180-G184 PolarHBondContact O-N 2.58Å
181	T	39.5	Very low	36.9	Very low	96 Å²	96	132.1 Å²	132.1	59%	0.589	69%	0.687	S	S	*	*	H	α-helix	trans	-70.3	-40.1	176.5	-42.9	0	0	0	0	111.3	E178 L179 Q183 G184 L185	E178-T181 PolarHBondContact O-N 3.07Å; L179-T181 VanDerWaalsContact C-N 3.34Å; L179-T181 PolarHBondContact O-N 3.22Å; T181-Q183 VanDerWaalsContact C-N 3.32Å; T181-Q183 PolarHBondContact O-N 3.37Å; T181-G184 PolarHBondContact O-N 2.88Å; T181-L185 PolarHBondContact O-N 3.34Å
182	L	35.2	Very low	37.9	Very low	105 Å²	105	129.7 Å²	129.7	55%	0.55	68%	0.684	S	S	.	*	H	α-helix	trans	-62.8	-37.3	172.3	-86.8	163.1	0	0	0	112.5	E178 L179 G184 L185 Y186	E178-L182 PolarHBondContact O-N 2.99Å; L179-L182 PolarHBondContact O-N 3Å; L182-G184 VanDerWaalsContact C-N 3.32Å; L182-G184 PolarHBondContact O-N 2.95Å; L182-L185 PolarHBondContact O-N 3.4Å; L182-Y186 PolarHBondContact O-N 3.49Å
183	Q	39.2	Very low	38.6	Very low	146 Å²	146	131.2 Å²	131.2	68%	0.682	69%	0.687	S	S	*	*	H	α-helix	trans	-67	-31.2	178.9	-164.4	167.4	7.1	0	0	112.8	L179 C180 T181	L179-Q183 PolarHBondContact O-N 2.79Å; C180-Q183 PolarHBondContact O-N 3.47Å; T181-Q183 VanDerWaalsContact C-N 3.32Å; T181-Q183 PolarHBondContact O-N 3.37Å
184	G	39.3	Very low	38.7	Very low	47 Å²	47	136.9 Å²	136.9	49%	0.485	69%	0.689	S	S	.	*	H	α-helix	trans	-69.8	-38.3	172.7	0	0	0	0	0	113.7	C180 T181 L182 Y186 Q187	C180-G184 PolarHBondContact O-N 2.58Å; T181-G184 PolarHBondContact O-N 2.88Å; L182-G184 VanDerWaalsContact C-N 3.32Å; L182-G184 PolarHBondContact O-N 2.95Å; G184-Y186 VanDerWaalsContact C-N 3.3Å; G184-Y186 PolarHBondContact O-N 3.19Å; G184-Q187 PolarHBondContact O-N 3.44Å
185	L	37.1	Very low	38.8	Very low	119 Å²	119	133.9 Å²	133.9	62%	0.623	69%	0.687	S	S	*	*	H	α-helix	trans	-67.9	-30.1	178.3	-70	170.4	0	0	0	112.6	T181 L182 Q187 A188	T181-L185 PolarHBondContact O-N 3.34Å; L182-L185 PolarHBondContact O-N 3.4Å; L185-Q187 PolarHBondContact O-N 2.92Å; L185-A188 PolarHBondContact O-N 3.03Å
186	Y	35	Very low	38.7	Very low	197 Å²	197	133.3 Å²	133.3	77%	0.773	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	-17.4	179.4	-118.3	-87.8	0	0	0	114.7	L182 G184	L182-Y186 PolarHBondContact O-N 3.49Å; G184-Y186 VanDerWaalsContact C-N 3.3Å; G184-Y186 PolarHBondContact O-N 3.19Å
187	Q	38	Very low	38.6	Very low	162 Å²	162	128.9 Å²	128.9	76%	0.757	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-17.7	175	-80	-174.2	-42.3	0	0	113.9	G184 L185 S190	G184-Q187 PolarHBondContact O-N 3.44Å; L185-Q187 PolarHBondContact O-N 2.92Å; Q187-S190 PolarHBondContact O-OG 3.39Å; Q187-S190 VanDerWaalsContact O-OG 3.11Å
188	A	36.4	Very low	38.6	Very low	84 Å²	84	129.8 Å²	129.8	69%	0.694	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-22.9	-180	0	0	0	0	0	113.8	L185 S190	L185-A188 PolarHBondContact O-N 3.03Å; A188-S190 PolarHBondContact O-N 2.91Å; A188-S190 VanDerWaalsContact O-N 3.08Å
189	A	37.8	Very low	38.6	Very low	90 Å²	90	132.2 Å²	132.2	74%	0.744	69%	0.691	S	S	*	*			trans	-81.6	24.4	-173.9	0	0	0	0	0	114.9
190	S	40.4	Very low	38.6	Very low	98 Å²	98	134.5 Å²	134.5	69%	0.685	70%	0.699	S	S	*	*			trans	-106	20.2	-169.7	58	0	0	0	0	114.8	Q187 A188	Q187-S190 PolarHBondContact O-OG 3.39Å; Q187-S190 VanDerWaalsContact O-OG 3.11Å; A188-S190 PolarHBondContact O-N 2.91Å; A188-S190 VanDerWaalsContact O-N 3.08Å
191	R	35.8	Very low	38.4	Very low	226 Å²	226	136.6 Å²	136.6	85%	0.853	70%	0.704	S	S	*	*			trans	-136.9	149.5	173.2	-69.4	-171.8	174.5	-172	-2.4	112.3
192	P	44.8	Very low	38.1	Very low	115 Å²	115	143.1 Å²	143.1	75%	0.747	72%	0.72	S	S	*	*	S	Bend	trans	-91.8	-6.9	-157.1	-10.3	30.4	0	0	0	116.8	Y194	P192-Y194 PolarHBondContact O-N 2.67Å
193	E	41.8	Very low	37.9	Very low	180 Å²	180	141.4 Å²	141.4	84%	0.841	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	12.6	-157.1	-64.8	179.7	156.3	0	0	115.9
194	Y	37	Very low	37.5	Very low	215 Å²	215	145.9 Å²	145.9	84%	0.843	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-1.4	-178.6	-158.2	-107.4	0	0	0	115.1	P192	P192-Y194 PolarHBondContact O-N 2.67Å
195	L	36.4	Very low	37	Very low	133 Å²	133	153.9 Å²	153.9	70%	0.696	76%	0.76	S	S	*	*	S	Bend	trans	-100.6	-7.1	-175	-144.8	91.9	0	0	0	115
196	V	42.8	Very low	36.5	Very low	93 Å²	93	151.3 Å²	151.3	56%	0.564	76%	0.762	S	S	*	*	S	Bend	trans	-82.7	-53.5	-175.5	-177.4	0	0	0	0	111.1	Y198 L199	V196-Y198 PolarHBondContact O-N 2.89Å; V196-L199 PolarHBondContact O-N 3.48Å; V196-L199 VanDerWaalsContact O-N 3.11Å
197	D	37.2	Very low	36.2	Very low	132 Å²	132	148 Å²	148	71%	0.706	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.5	-27.8	-178	-89.2	17.9	0	0	0	115	N201	D197-N201 PolarHBondContact O-ND2 3.04Å
198	Y	36.6	Very low	35.7	Very low	201 Å²	201	144.4 Å²	144.4	79%	0.788	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-23.5	-176.1	-160.4	-97.6	0	0	0	113.7	V196	V196-Y198 PolarHBondContact O-N 2.89Å
199	L	40.3	Very low	35.3	Very low	135 Å²	135	145.7 Å²	145.7	71%	0.707	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-21.4	-171.8	-73.5	172.7	0	0	0	114.4	V196	V196-L199 PolarHBondContact O-N 3.48Å; V196-L199 VanDerWaalsContact O-N 3.11Å
200	E	39.4	Very low	34.8	Very low	164 Å²	164	150.1 Å²	150.1	77%	0.766	77%	0.774	S	S	*	*	S	Bend	trans	-79.1	-18.9	179.9	-62	-157.8	131.3	0	0	113.9
201	N	36.9	Very low	34.2	Very low	131 Å²	131	152 Å²	152	70%	0.701	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	2.1	-163.1	-92.6	-59.7	0	0	0	117.4	D197	D197-N201 PolarHBondContact O-ND2 3.04Å
202	Y	32.5	Very low	34.3	Very low	232 Å²	232	146.9 Å²	146.9	91%	0.91	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.6	34.9	-176	-104.2	-83.6	0	0	0	116.2
203	G	32.1	Very low	33.4	Very low	69 Å²	69	146 Å²	146	71%	0.711	77%	0.774	S	S	*	*			trans	-124.9	63.9	180	0	0	0	0	0	116.2
204	R	30.8	Very low	32.6	Very low	240 Å²	240	146.3 Å²	146.3	91%	0.906	78%	0.776	S	S	*	*			trans	-159.3	143.9	167.3	-113.6	167	-161.1	-115.3	1.7	115.2
205	K	28.5	Very low	32	Very low	216 Å²	216	142.4 Å²	142.4	94%	0.939	78%	0.775	S	S	*	*			trans	72.6	127.6	178.8	-51.1	175.5	-178.1	177.4	0	115.2
206	G	26	Very low	32.4	Very low	65 Å²	65	141.6 Å²	141.6	67%	0.67	78%	0.777	S	S	*	*			cis	159.5	145.5	-16	0	0	0	0	0	114.8
207	S	28.5	Very low	32.3	Very low	128 Å²	128	143 Å²	143	90%	0.895	79%	0.788	S	S	*	*			trans	57.2	156.1	156.4	54.7	0	0	0	0	121.1
208	A	28.1	Very low	31.7	Very low	86 Å²	86	141.9 Å²	141.9	71%	0.711	79%	0.791	S	S	*	*			cis	-175.9	175	-25.2	0	0	0	0	0	109.2
209	S	28	Very low	31.2	Very low	110 Å²	110	143.8 Å²	143.8	77%	0.769	80%	0.796	S	S	*	*			trans	75.6	146.4	169.9	-56.5	0	0	0	0	117
210	Q	27.8	Very low	30.6	Very low	183 Å²	183	143.9 Å²	143.9	86%	0.855	80%	0.802	S	S	*	*			cis	-153.3	164.6	-3.3	-124.6	171.3	14.8	0	0	111.5
211	V	27.3	Very low	30.8	Very low	138 Å²	138	141 Å²	141	84%	0.836	80%	0.798	S	S	*	*			trans	-147.2	129.4	-176.3	169.2	0	0	0	0	109.4
212	P	37.3	Very low	30.3	Very low	119 Å²	119	144 Å²	144	77%	0.773	81%	0.808	S	S	*	*				-154.4	178.8	108.9	36.3	-16.2	0	0	0	114.3
213	S	25.4	Very low	29.9	Very low	96 Å²	96	139.6 Å²	139.6	67%	0.671	80%	0.798	S	S	*	*			cis	-171.4	165	-27.8	59.3	0	0	0	0	109.6
214	Q	25.6	Very low	29.5	Very low	186 Å²	186	144.3 Å²	144.3	87%	0.869	81%	0.806	S	S	*	*			trans	161.2	152.4	135.1	-87.5	176.4	45.6	0	0	113.9
215	T	23.8	Very low	29.2	Very low	134 Å²	134	138 Å²	138	82%	0.822	80%	0.799	S	S	*	*			trans	-163	175.7	-173.5	53.6	0	0	0	0	110.6
216	P	45.9	Very low	29.8	Very low	116 Å²	116	133.1 Å²	133.1	75%	0.753	79%	0.789	S	S	*	*			cis	-105.7	-90.5	-20.8	20.1	3.2	0	0	0	110.9
217	P	39.6	Very low	29.7	Very low	122 Å²	122	136.6 Å²	136.6	79%	0.792	80%	0.798	S	S	*	*			cis	-103.5	-150.6	-17.4	42.8	-32.2	0	0	0	112.6
218	S	26.1	Very low	29.5	Very low	108 Å²	108	138.6 Å²	138.6	76%	0.755	79%	0.791	S	S	*	*			trans	-160.8	158.8	177.9	63.1	0	0	0	0	115.1
219	R	25.9	Very low	29.4	Very low	242 Å²	242	144.8 Å²	144.8	91%	0.913	80%	0.796	S	S	*	*			trans	177.2	169.8	140.2	-98.8	169.2	-167.6	-150.8	2.9	114.8
220	V	26.7	Very low	29.8	Very low	137 Å²	137	144.8 Å²	144.8	83%	0.83	79%	0.793	S	S	*	*			trans	-143.2	-180	-178.6	-117.8	0	0	0	0	106.7
221	P	43.8	Very low	29.7	Very low	103 Å²	103	144.8 Å²	144.8	67%	0.669	80%	0.797	S	S	*	*			cis	-131.5	177	-8.8	40.8	-24.5	0	0	0	114.7
222	E	25.7	Very low	29.7	Very low	194 Å²	194	141.5 Å²	141.5	91%	0.907	79%	0.791	S	S	*	*			trans	-155.9	177	147	-134.8	173.1	-139.5	0	0	112.5
223	I	25.6	Very low	29.3	Very low	139 Å²	139	146.8 Å²	146.8	71%	0.713	80%	0.796	S	S	*	*			trans	-150.6	155.2	-141.4	-83.4	162.7	0	0	0	113.7
224	L	23.2	Very low	29.3	Very low	168 Å²	168	152.7 Å²	152.7	88%	0.88	81%	0.805	S	S	*	*			trans	81.5	148	166.6	-78.9	163.1	0	0	0	121.3
225	S	25.3	Very low	29.4	Very low	108 Å²	108	149.1 Å²	149.1	76%	0.755	80%	0.795	S	S	*	*			trans	-116.9	-160.7	-177.4	-38.1	0	0	0	0	109.6
226	P	39.2	Very low	29.6	Very low	114 Å²	114	150.6 Å²	150.6	74%	0.74	80%	0.798	S	S	*	*			cis	-136.5	175.9	-15.5	41.5	-25.7	0	0	0	115
227	T	24.2	Very low	28.7	Very low	138 Å²	138	156 Å²	156	85%	0.847	80%	0.803	S	S	*	*			trans	-174.5	134.6	133.3	22.6	0	0	0	0	117.4
228	F	24.3	Very low	28.2	Very low	170 Å²	170	157.3 Å²	157.3	75%	0.746	80%	0.799	S	S	*	*			trans	33.3	109.5	139.3	-87.2	-109.2	0	0	0	126.4
229	R	27.3	Very low	28.4	Very low	216 Å²	216	161.4 Å²	161.4	82%	0.815	80%	0.803	S	S	*	*				63.1	-166.6	129.7	-54.7	-169.2	171.7	-160.4	-1.5	119.4
230	P	35.6	Very low	28.4	Very low	109 Å²	109	153.1 Å²	153.1	71%	0.708	79%	0.792	S	S	*	*				-136.4	166.1	-96.4	43.6	-25.9	0	0	0	117.5
231	I	26.4	Very low	28.6	Very low	184 Å²	184	156.9 Å²	156.9	94%	0.944	80%	0.798	S	S	*	*			trans	-174.4	152.3	158.4	-102.4	146.7	0	0	0	108.3
232	G	26.3	Very low	27.8	Very low	69 Å²	69	155.5 Å²	155.5	71%	0.711	80%	0.802	S	S	*	*			cis	-175.7	175.9	-4.3	0	0	0	0	0	111.8
233	R	28.9	Very low	27.8	Very low	230 Å²	230	156 Å²	156	87%	0.868	81%	0.805	S	S	*	*			trans	-116.2	145.9	177.1	-74.8	177.2	168.9	-176.1	-2.8	111.3
234	Y	26.9	Very low	28.2	Very low	220 Å²	220	154 Å²	154	86%	0.863	81%	0.808	S	S	*	*			trans	-149	137.4	147.8	-67.2	-73.6	0	0	0	106.9
235	T	27.6	Very low	29.4	Very low	110 Å²	110	152.4 Å²	152.4	68%	0.675	81%	0.808	S	S	*	*			cis	67	103.8	42.7	69.5	0	0	0	0	112.9
236	L	27.4	Very low	29.5	Very low	166 Å²	166	150.6 Å²	150.6	87%	0.869	81%	0.807	S	S	*	*				78.1	127.5	87.7	-171.9	72.3	0	0	0	112.5
237	W	26.6	Very low	29.7	Very low	230 Å²	230	151 Å²	151	87%	0.871	81%	0.809	S	S	*	*			trans	-133	148.9	177.3	131.7	-77.8	0	0	0	110.2
238	E	28.3	Very low	29.9	Very low	148 Å²	148	149.5 Å²	149.5	69%	0.692	81%	0.805	S	S	*	*			trans	-125.3	-178.9	-174.2	-98.7	-152.9	104.1	0	0	113.2
239	K	31.2	Very low	30.2	Very low	195 Å²	195	153 Å²	153	85%	0.848	81%	0.813	S	S	*	*			trans	-62.1	151.3	-168.6	-62.9	164.4	178.7	163.8	0	115.9
240	G	25.3	Very low	30.8	Very low	67 Å²	67	148.8 Å²	148.8	69%	0.691	82%	0.816	S	S	*	*			trans	-120.8	-175.9	161.4	0	0	0	0	0	113.2
241	K	31.2	Very low	30.6	Very low	217 Å²	217	148.9 Å²	148.9	94%	0.943	82%	0.82	S	S	*	*			trans	-133.5	159.4	-171.6	-56.6	174.7	-174.5	174.6	0	111.2
242	G	27.3	Very low	31.2	Very low	74 Å²	74	145.8 Å²	145.8	76%	0.763	81%	0.814	S	S	*	*			cis	135.5	110.1	-4.6	0	0	0	0	0	113.1
243	Q	26.8	Very low	31.7	Very low	205 Å²	205	148.5 Å²	148.5	96%	0.958	82%	0.82	S	S	*	*			trans	-151.7	168.2	-177.9	-86.2	-178.9	-8.3	0	0	111.7
244	A	32.2	Very low	31.8	Very low	95 Å²	95	140.3 Å²	140.3	79%	0.785	81%	0.807	S	S	*	*			trans	-164.9	173	-177.7	0	0	0	0	0	110.7
245	P	50.1	Low	32.5	Very low	135 Å²	135	141.7 Å²	141.7	88%	0.877	81%	0.81	S	S	*	*			cis	-126.5	173.1	-28.2	34.9	-18.6	0	0	0	113.6
246	G	26.7	Very low	32.7	Very low	71 Å²	71	143.6 Å²	143.6	73%	0.732	82%	0.816	S	S	*	*			trans	-154.9	149.7	169.6	0	0	0	0	0	112
247	P	42.3	Very low	33.3	Very low	121 Å²	121	140.6 Å²	140.6	79%	0.786	81%	0.809	S	S	*	*			trans	-101.1	156.2	-156.5	37.4	-36.5	0	0	0	117.4
248	S	28.6	Very low	33.6	Very low	108 Å²	108	138.2 Å²	138.2	76%	0.755	81%	0.81	S	S	*	*			trans	68.1	113.5	157.1	72.6	0	0	0	0	119.5
249	R	30.4	Very low	34.3	Very low	244 Å²	244	137.1 Å²	137.1	92%	0.921	81%	0.809	S	S	*	*				-163.1	149.5	102.4	-102.1	171.1	179.9	-140.5	-3	110.8
250	S	39.9	Very low	34.7	Very low	126 Å²	126	132.7 Å²	132.7	88%	0.881	80%	0.802	S	S	*	*			trans	-88.8	119.4	-178.1	52	0	0	0	0	111.6
251	S	31.7	Very low	36	Very low	112 Å²	112	136.2 Å²	136.2	78%	0.783	80%	0.799	S	S	*	*			trans	-133.3	123.4	162.9	49.5	0	0	0	0	109
252	S	39	Very low	37.3	Very low	118 Å²	118	128.8 Å²	128.8	83%	0.825	77%	0.774	S	S	*	*			trans	-63.1	132.6	-179.4	-51.9	0	0	0	0	110.4	G254	S252-G254 PolarHBondContact O-N 3.22Å
253	P	36.8	Very low	39.5	Very low	127 Å²	127	128.2 Å²	128.2	83%	0.825	76%	0.762	S	S	*	*			trans	-66.8	110.1	167.6	27.9	-31.7	0	0	0	108.1
254	G	32.3	Very low	42.3	Very low	58 Å²	58	121.6 Å²	121.6	60%	0.598	73%	0.731	S	S	*	*			trans	-56.8	150.1	165.6	0	0	0	0	0	109.6	S252 D256	S252-G254 PolarHBondContact O-N 3.22Å; G254-D256 PolarHBondContact O-N 3.05Å
255	R	40.7	Very low	45.2	Very low	248 Å²	248	117.1 Å²	117.1	94%	0.936	69%	0.694	S	S	*	*			trans	-73	77.9	168.8	-80.6	-176.9	171.6	170.9	-3	109.2	S257	R255-S257 PolarHBondContact O-N 2.62Å
256	D	32.3	Very low	47.3	Very low	150 Å²	150	111.7 Å²	111.7	80%	0.802	66%	0.658	S	S	*	*			trans	-63.3	87	156.5	-76.5	-31	0	0	0	107.3	G254 M258	G254-D256 PolarHBondContact O-N 3.05Å; D256-M258 PolarHBondContact O-N 3.24Å
257	S	39.3	Very low	50.6	Low	103 Å²	103	108.4 Å²	108.4	72%	0.72	62%	0.623	S	S	*	*			trans	-68.6	81	169.6	-169.1	0	0	0	0	107.2	R255 N259	R255-S257 PolarHBondContact O-N 2.62Å; S257-N259 PolarHBondContact O-N 2.97Å
258	M	34.2	Very low	53.3	Low	180 Å²	180	102.6 Å²	102.6	89%	0.887	59%	0.586	S	S	*	*			trans	-59.5	87.9	160.3	-78.5	-163.2	173.2	0	0	106.7	D256 S260	D256-M258 PolarHBondContact O-N 3.24Å; M258-S260 PolarHBondContact O-N 3.07Å
259	N	41.6	Very low	56.6	Low	126 Å²	126	97.5 Å²	97.5	67%	0.674	55%	0.55	S	S	*	.			trans	-72.1	72.6	-179.2	-171.6	9.4	0	0	0	108.5	S257 K261	S257-N259 PolarHBondContact O-N 2.97Å; N259-K261 VanDerWaalsContact C-N 3.26Å; N259-K261 PolarHBondContact O-N 2.86Å
260	S	39.6	Very low	59.8	Low	101 Å²	101	91.9 Å²	91.9	71%	0.706	53%	0.529	S	S	*	.			trans	-56.6	98.7	161.9	-177.1	0	0	0	0	106.1	M258 S262	M258-S260 PolarHBondContact O-N 3.07Å; S260-S262 PolarHBondContact O-N 3.04Å
261	K	52.1	Low	62.6	Low	142 Å²	142	88.4 Å²	88.4	62%	0.617	50%	0.5	S	S	*	.			trans	-62.9	82	170.2	-72.2	-165.7	175.4	-158.7	0	107.3	N259 A263	N259-K261 VanDerWaalsContact C-N 3.26Å; N259-K261 PolarHBondContact O-N 2.86Å; K261-A263 PolarHBondContact O-N 3.18Å
262	S	60	Low	65.6	Low	61 Å²	61	85 Å²	85	43%	0.427	47%	0.473	S	S	.	.			trans	-57.1	123.6	179.7	57.4	0	0	0	0	107.9	S260 Q264	S260-S262 PolarHBondContact O-N 3.04Å; S262-Q264 VanDerWaalsContact C-N 3.3Å; S262-Q264 WeakPolarHBondContact O-CG 3.06Å; S262-Q264 PolarHBondContact O-N 2.74Å; S262-Q264 WeakPolarHBondContact OG-CG 3.22Å; S262-Q264 PolarHBondContact OG-NE2 2.77Å
263	A	73.9	Confident	68.3	Low	61 Å²	61	80.9 Å²	80.9	50%	0.504	45%	0.449	S	S	.	.			trans	-66.5	87.1	179.7	0	0	0	0	0	109.9	K261 W326	K261-A263 PolarHBondContact O-N 3.18Å; A263-W326 VanDerWaalsContact CA-O 3.29Å; A263-W326 WeakPolarHBondContact CA-O 3.08Å; A263-W326 HydrophobicContact CB-CE3 4.35Å; A263-W326 WeakPolarHBondContact CB-O 3.49Å; A263-W326 VanDerWaalsContact O-CE3 3.28Å; A263-W326 VanDerWaalsContact O-CZ3 3.28Å; A263-W326 WeakPolarHBondContact O-CZ3 3.49Å
264	Q	84.3	Confident	71.1	Confident	66 Å²	66	78 Å²	78	31%	0.308	43%	0.427	S	S	.	.			trans	-89.4	-22.2	-173	-73.9	173.8	16.6	0	0	113.3	S262 L266 W326 P330	S262-Q264 VanDerWaalsContact C-N 3.3Å; S262-Q264 WeakPolarHBondContact O-CG 3.06Å; S262-Q264 PolarHBondContact O-N 2.74Å; S262-Q264 WeakPolarHBondContact OG-CG 3.22Å; S262-Q264 PolarHBondContact OG-NE2 2.77Å; Q264-L266 VanDerWaalsContact C-N 3.29Å; Q264-L266 HydrophobicContact CB-CD1 4.14Å; Q264-L266 HydrophobicContact CB-CG 3.96Å; Q264-L266 PolarHBondContact O-N 3.38Å; Q264-W326 VanDerWaalsContact C-CZ3 3.45Å; Q264-W326 WeakPolarHBondContact O-CZ3 3.37Å; Q264-P330 VanDerWaalsContact OE1-CG 3.24Å
265	G	92.4	Very high	74.2	Confident	1 Å²	1	75.4 Å²	75.4	1%	0.01	40%	0.399	C	S	.	.			trans	73.8	16.1	-177.5	0	0	0	0	0	114.6	A267	G265-A267 VanDerWaalsContact C-N 3.3Å; G265-A267 PolarHBondContact O-N 2.93Å
266	L	94.9	Very high	76.9	Confident	22 Å²	22	63.7 Å²	63.7	12%	0.115	36%	0.356	C	S	.	.			trans	-93.4	39	-173.5	-58.8	-178.6	0	0	0	113.1	Q264 P330 N331 H571 F573 V578	Q264-L266 VanDerWaalsContact C-N 3.29Å; Q264-L266 HydrophobicContact CB-CD1 4.14Å; Q264-L266 HydrophobicContact CB-CG 3.96Å; Q264-L266 PolarHBondContact O-N 3.38Å; L266-P330 HydrophobicContact CB-CB 4.35Å; L266-N331 PolarHBondContact O-N 2.76Å; L266-H571 HydrophobicContact CD2-CB 4.15Å; L266-F573 HydrophobicContact CD2-CZ 3.98Å; L266-V578 HydrophobicContact CB-CG1 4.31Å; L266-V578 HydrophobicContact CD2-CG1 4.19Å
267	A	96.6	Very high	80	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.008	32%	0.32	C	S	.	.			trans	-94.9	137.1	174.2	0	0	0	0	0	110.7	G265 Q283 I325 D332 V334	G265-A267 VanDerWaalsContact C-N 3.3Å; G265-A267 PolarHBondContact O-N 2.93Å; A267-Q283 PolarHBondContact O-NE2 2.83Å; A267-I325 HydrophobicContact CB-CG2 4.32Å; A267-D332 CarbonylContact C-O 3.26Å; A267-D332 VanDerWaalsContact CA-O 3.29Å; A267-D332 WeakPolarHBondContact CA-O 3.48Å; A267-V334 HydrophobicContact CB-CG2 4.04Å
268	G	97.9	Very high	82.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	160.3	173.3	0	0	0	0	0	112.1	D332 V334 D575	G268-D332 PolarHBondContact N-O 2.95Å; G268-V334 PolarHBondContact O-N 3.04Å; G268-D575 CarbonylContact C-O 3.57Å; G268-D575 WeakPolarHBondContact CA-O 3.38Å
269	L	98.6	Very high	85.9	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	123.1	175	-71.9	176.7	0	0	0	111	N271 N279 L282 Q283 L321 I325 V334 P336 D575 S576	L269-N271 PolarHBondContact O-N 2.94Å; L269-N279 HydrophobicContact CB-CB 4.04Å; L269-N279 HydrophobicContact CD1-CB 4.16Å; L269-N279 PolarHBondContact O-ND2 3.18Å; L269-L282 HydrophobicContact CD1-CB 3.7Å; L269-L282 HydrophobicContact CD1-CD1 3.99Å; L269-Q283 HydrophobicContact CD1-CG 4.1Å; L269-L321 HydrophobicContact CD2-CD1 4.06Å; L269-I325 HydrophobicContact CD2-CD1 4.11Å; L269-I325 HydrophobicContact CD2-CG1 4.29Å; L269-V334 WeakPolarHBondContact CA-O 3.2Å; L269-V334 HydrophobicContact CD2-CB 4.16Å; L269-V334 HydrophobicContact CD2-CG1 4.42Å; L269-P336 HydrophobicContact CD2-CB 4.4Å; L269-P336 HydrophobicContact CD2-CG 4.44Å; L269-D575 PolarHBondContact N-O 2.97Å; L269-D575 CarbonylContact O-C 2.92Å; L269-D575 WeakPolarHBondContact O-CA 3.46Å; L269-D575 WeakPolarHBondContact O-CB 3.14Å; L269-S576 PolarHBondContact O-N 3.5Å; L269-S576 VanDerWaalsContact O-N 3.12Å
270	R	98.3	Very high	88.7	Confident	127 Å²	127	38.1 Å²	38.1	48%	0.479	21%	0.214	S	C	.	.			trans	-58.9	127.6	177.2	-171.4	175.6	-64.4	-86	-4	110.3	L272 N279 V333 V334	R270-L272 HydrophobicContact CB-CD2 4.32Å; R270-L272 HydrophobicContact CG-CD2 4.04Å; R270-L272 PolarHBondContact O-N 3.28Å; R270-N279 PolarHBondContact O-ND2 3.1Å; R270-V333 HydrophobicContact CB-CG1 4.13Å; R270-V334 PolarHBondContact N-O 3.29Å
271	N	97.4	Very high	91.5	Very high	53 Å²	53	33.3 Å²	33.3	28%	0.283	18%	0.181	S	C	.	.			trans	-70.3	125.1	167.7	-163.5	-44.1	0	0	0	109	L269 G273 N274 T275 D575	L269-N271 PolarHBondContact O-N 2.94Å; N271-G273 PolarHBondContact OD1-N 2.81Å; N271-N274 PolarHBondContact OD1-N 2.65Å; N271-N274 VanDerWaalsContact OD1-N 3.12Å; N271-T275 PolarHBondContact OD1-N 2.82Å; N271-T275 PolarHBondContact OD1-OG1 2.92Å; N271-D575 HydrophobicContact CB-CB 4.16Å; N271-D575 WeakPolarHBondContact CB-OD2 3.43Å; N271-D575 PolarHBondContact ND2-OD2 3.19Å
272	L	96.4	Very high	93.7	Very high	39 Å²	39	26.6 Å²	26.6	20%	0.204	15%	0.151	C	C	.	.			trans	-102.1	24.4	-177.4	-55.4	178.9	0	0	0	111.9	R270 T275 P336 K340 Y353	R270-L272 HydrophobicContact CB-CD2 4.32Å; R270-L272 HydrophobicContact CG-CD2 4.04Å; R270-L272 PolarHBondContact O-N 3.28Å; L272-T275 HydrophobicContact CB-CG2 3.9Å; L272-T275 PolarHBondContact N-OG1 2.81Å; L272-P336 HydrophobicContact CD1-CG 3.94Å; L272-P336 HydrophobicContact CG-CG 4.36Å; L272-K340 HydrophobicContact CB-CD 4.06Å; L272-K340 HydrophobicContact CD1-CB 4.3Å; L272-K340 HydrophobicContact CD1-CD 3.81Å; L272-Y353 WeakPolarHBondContact O-CD1 3.35Å; L272-Y353 VanDerWaalsContact O-CE1 3.23Å; L272-Y353 WeakPolarHBondContact O-CE1 3.49Å
273	G	94.3	Very high	95.5	Very high	32 Å²	32	23.8 Å²	23.8	33%	0.33	13%	0.132	S	C	.	.	S	Bend	trans	96.8	99.8	-174.9	0	0	0	0	0	111.3	N271 T275	N271-G273 PolarHBondContact OD1-N 2.81Å; G273-T275 WeakPolarHBondContact O-CG2 3.5Å; G273-T275 PolarHBondContact O-N 2.98Å; G273-T275 VanDerWaalsContact O-N 3.16Å
274	N	96.1	Very high	96.7	Very high	67 Å²	67	20.9 Å²	20.9	36%	0.358	11%	0.108	S	C	.	.	S	Bend	trans	58	16.6	-176.8	-74.7	-47.4	0	0	0	115.6	N271 C276 F277 Y353 Q355	N271-N274 PolarHBondContact OD1-N 2.65Å; N271-N274 VanDerWaalsContact OD1-N 3.12Å; N274-C276 VanDerWaalsContact C-N 3.29Å; N274-C276 PolarHBondContact O-N 2.85Å; N274-F277 WeakPolarHBondContact O-CD1 3.1Å; N274-F277 VanDerWaalsContact O-CE1 3.29Å; N274-F277 WeakPolarHBondContact O-CE1 3.42Å; N274-Y353 WeakPolarHBondContact CB-O 3.49Å; N274-Y353 PolarHBondContact ND2-O 3.28Å; N274-Q355 HydrophobicContact CB-CG 3.78Å; N274-Q355 WeakPolarHBondContact OD1-CG 3.27Å; N274-Q355 PolarHBondContact OD1-NE2 3.37Å; N274-Q355 VanDerWaalsContact OD1-NE2 3.1Å
275	T	97.4	Very high	97.4	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.018	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	17.1	-173.5	68.6	0	0	0	0	114.9	N271 L272 G273 F277 M278 N279 K340	N271-T275 PolarHBondContact OD1-N 2.82Å; N271-T275 PolarHBondContact OD1-OG1 2.92Å; L272-T275 HydrophobicContact CB-CG2 3.9Å; L272-T275 PolarHBondContact N-OG1 2.81Å; G273-T275 WeakPolarHBondContact O-CG2 3.5Å; G273-T275 PolarHBondContact O-N 2.98Å; G273-T275 VanDerWaalsContact O-N 3.16Å; T275-F277 VanDerWaalsContact C-N 3.26Å; T275-F277 PolarHBondContact O-N 2.88Å; T275-M278 HydrophobicContact CG2-CE 4.41Å; T275-M278 WeakPolarHBondContact O-CB 3.41Å; T275-M278 PolarHBondContact O-N 3.19Å; T275-M278 VanDerWaalsContact O-N 3.12Å; T275-N279 PolarHBondContact O-N 2.9Å; T275-K340 HydrophobicContact CG2-CD 4.05Å
276	C	97.9	Very high	97.7	Very high	3 Å²	3	17.7 Å²	17.7	2%	0.02	9%	0.092	C	C	.	.	H	α-helix	trans	-63.5	-31.1	-178.8	53.4	0	0	0	0	112.7	N274 M278 N279 S280 H557 D575	N274-C276 VanDerWaalsContact C-N 3.29Å; N274-C276 PolarHBondContact O-N 2.85Å; C276-M278 VanDerWaalsContact C-N 3.34Å; C276-M278 PolarHBondContact O-N 3.16Å; C276-N279 PolarHBondContact O-N 3.21Å; C276-S280 WeakPolarHBondContact O-CB 3.45Å; C276-S280 PolarHBondContact O-N 2.79Å; C276-H557 WeakPolarHBondContact CB-CE1 3.42Å; C276-H557 WeakPolarHBondContact CB-ND1 3.39Å; C276-H557 PolarHBondContact SG-ND1 2.9Å; C276-D575 WeakPolarHBondContact CA-OD1 3.44Å
277	F	98	Very high	97.8	Very high	11 Å²	11	16.8 Å²	16.8	5%	0.048	9%	0.087	C	C	.	.	H	α-helix	trans	-58.1	-46.9	171.9	69.9	-87.3	0	0	0	111.3	N274 T275 I281 F350 Q356 A358 F361 Y558	N274-F277 WeakPolarHBondContact O-CD1 3.1Å; N274-F277 VanDerWaalsContact O-CE1 3.29Å; N274-F277 WeakPolarHBondContact O-CE1 3.42Å; T275-F277 VanDerWaalsContact C-N 3.26Å; T275-F277 PolarHBondContact O-N 2.88Å; F277-I281 WeakPolarHBondContact O-CG1 3.32Å; F277-I281 PolarHBondContact O-N 2.82Å; F277-F350 HydrophobicContact CE2-CD1 4.46Å; F277-Q356 HydrophobicContact CD1-CB 3.94Å; F277-Q356 HydrophobicContact CD1-CG 4.44Å; F277-Q356 HydrophobicContact CD2-CB 3.89Å; F277-Q356 HydrophobicContact CE1-CB 3.75Å; F277-Q356 HydrophobicContact CE1-CG 3.77Å; F277-Q356 HydrophobicContact CE2-CB 3.7Å; F277-Q356 HydrophobicContact CE2-CG 4.07Å; F277-Q356 HydrophobicContact CG-CB 4.03Å; F277-Q356 HydrophobicContact CZ-CB 3.64Å; F277-Q356 HydrophobicContact CZ-CG 3.57Å; F277-A358 HydrophobicContact CB-CB 4.27Å; F277-F361 HydrophobicContact CD2-CB 3.72Å; F277-F361 HydrophobicContact CD2-CD1 4.35Å; F277-F361 HydrophobicContact CD2-CD2 4.17Å; F277-F361 AromaticContact CD2-CG 3.8Å; F277-F361 HydrophobicContact CD2-CG 3.8Å; F277-F361 HydrophobicContact CE2-CB 3.93Å; F277-F361 AromaticContact CE2-CD2 3.63Å; F277-F361 HydrophobicContact CE2-CD2 3.63Å; F277-F361 HydrophobicContact CE2-CE2 4.34Å; F277-F361 AromaticContact CE2-CG 3.76Å; F277-F361 HydrophobicContact CE2-CG 3.76Å; F277-Y558 HydrophobicContact CB-CD2 3.58Å; F277-Y558 HydrophobicContact CB-CE2 3.64Å; F277-Y558 HydrophobicContact CB-CG 4.14Å
278	M	98.5	Very high	97.8	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.02	9%	0.087	C	C	.	.	H	α-helix	trans	-65.2	-47.4	177.6	174.1	-177	89.2	0	0	110.6	T275 C276 S280 I281 L282 P336 F339 K340 F361	T275-M278 HydrophobicContact CG2-CE 4.41Å; T275-M278 WeakPolarHBondContact O-CB 3.41Å; T275-M278 PolarHBondContact O-N 3.19Å; T275-M278 VanDerWaalsContact O-N 3.12Å; C276-M278 VanDerWaalsContact C-N 3.34Å; C276-M278 PolarHBondContact O-N 3.16Å; M278-S280 PolarHBondContact O-N 2.79Å; M278-I281 PolarHBondContact O-N 2.9Å; M278-L282 HydrophobicContact CE-CD1 4.32Å; M278-L282 HydrophobicContact CG-CD1 3.68Å; M278-L282 HydrophobicContact CG-CG 4.29Å; M278-L282 WeakPolarHBondContact O-CB 3.5Å; M278-L282 VanDerWaalsContact O-CG 3.24Å; M278-L282 WeakPolarHBondContact O-CG 3.23Å; M278-L282 PolarHBondContact O-N 3.03Å; M278-L282 HydrophobicContact SD-CD1 4.48Å; M278-P336 HydrophobicContact CE-CB 3.84Å; M278-P336 HydrophobicContact CE-CG 3.56Å; M278-F339 HydrophobicContact CG-CE1 4.03Å; M278-F339 HydrophobicContact SD-CD1 4.06Å; M278-F339 HydrophobicContact SD-CE1 3.87Å; M278-K340 HydrophobicContact CE-CB 4.29Å; M278-K340 HydrophobicContact SD-CB 4.24Å; M278-K340 HydrophobicContact SD-CG 4.4Å; M278-F361 HydrophobicContact CB-CD1 4.49Å; M278-F361 HydrophobicContact CB-CE1 4.09Å; M278-F361 HydrophobicContact CB-CE2 4.31Å; M278-F361 HydrophobicContact CB-CZ 4.02Å; M278-F361 HydrophobicContact CG-CE1 3.91Å; M278-F361 HydrophobicContact CG-CE2 4.09Å; M278-F361 HydrophobicContact CG-CZ 3.54Å; M278-F361 HydrophobicContact SD-CZ 4.41Å
279	N	98.7	Very high	97.7	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.021	11%	0.113	C	C	.	.	H	α-helix	trans	-61.4	-42.1	-179.9	-69.3	-12.7	0	0	0	111.9	L269 R270 T275 C276 L282 Q283 D575	L269-N279 HydrophobicContact CB-CB 4.04Å; L269-N279 HydrophobicContact CD1-CB 4.16Å; L269-N279 PolarHBondContact O-ND2 3.18Å; R270-N279 PolarHBondContact O-ND2 3.1Å; T275-N279 PolarHBondContact O-N 2.9Å; C276-N279 PolarHBondContact O-N 3.21Å; N279-L282 PolarHBondContact O-N 2.9Å; N279-Q283 VanDerWaalsContact O-CG 3.32Å; N279-Q283 WeakPolarHBondContact O-CG 3.23Å; N279-Q283 PolarHBondContact O-N 2.68Å; N279-D575 PolarHBondContact ND2-OD1 3.49Å
280	S	98.8	Very high	97.6	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.021	13%	0.127	C	C	.	.	H	α-helix	trans	-61.1	-47.5	176.4	-172.7	0	0	0	0	112	C276 M278 Q283 C284 S547 T559 A560	C276-S280 WeakPolarHBondContact O-CB 3.45Å; C276-S280 PolarHBondContact O-N 2.79Å; M278-S280 PolarHBondContact O-N 2.79Å; S280-Q283 PolarHBondContact O-N 2.78Å; S280-C284 PolarHBondContact O-N 2.93Å; S280-C284 VanDerWaalsContact O-N 3.1Å; S280-C284 PolarHBondContact O-SG 2.9Å; S280-S547 WeakPolarHBondContact OG-CB 3.48Å; S280-S547 PolarHBondContact OG-OG 2.8Å; S280-T559 PolarHBondContact OG-O 3.3Å; S280-A560 WeakPolarHBondContact O-CB 3.32Å; S280-A560 PolarHBondContact OG-N 3.31Å
281	I	98.8	Very high	97.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.7	-43	177.7	-67.2	-58	0	0	0	111.9	F277 M278 Q283 C284 L285 A358 F361 L362 L365 L593 F595	F277-I281 WeakPolarHBondContact O-CG1 3.32Å; F277-I281 PolarHBondContact O-N 2.82Å; M278-I281 PolarHBondContact O-N 2.9Å; I281-Q283 VanDerWaalsContact C-N 3.31Å; I281-Q283 PolarHBondContact O-N 2.99Å; I281-C284 PolarHBondContact O-N 3.39Å; I281-L285 HydrophobicContact CG2-CD1 3.87Å; I281-L285 HydrophobicContact CG2-CG 4.29Å; I281-L285 WeakPolarHBondContact O-CG 3.42Å; I281-L285 PolarHBondContact O-N 3.16Å; I281-A358 HydrophobicContact CD1-CB 4.15Å; I281-A358 WeakPolarHBondContact CD1-O 3.49Å; I281-A358 HydrophobicContact CG1-CB 4.06Å; I281-F361 HydrophobicContact CB-CD1 3.83Å; I281-F361 HydrophobicContact CB-CE1 4.02Å; I281-F361 HydrophobicContact CG1-CD1 3.99Å; I281-F361 HydrophobicContact CG2-CD1 3.86Å; I281-F361 HydrophobicContact CG2-CE1 3.89Å; I281-L362 HydrophobicContact CD1-CB 4.02Å; I281-L362 HydrophobicContact CD1-CD2 4.48Å; I281-L362 HydrophobicContact CG1-CB 4.37Å; I281-L362 HydrophobicContact CG2-CB 4.14Å; I281-L362 HydrophobicContact CG2-CD1 3.79Å; I281-L365 HydrophobicContact CG2-CD2 4.29Å; I281-L593 HydrophobicContact CD1-CD1 3.44Å; I281-L593 VanDerWaalsContact CD1-CD1 3.44Å; I281-F595 HydrophobicContact CD1-CZ 4.18Å
282	L	98.8	Very high	97.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.3	-40.6	177	-75.4	169.6	0	0	0	111.9	L269 M278 N279 L285 S286 F318 L321 P336 F339 L365	L269-L282 HydrophobicContact CD1-CB 3.7Å; L269-L282 HydrophobicContact CD1-CD1 3.99Å; M278-L282 HydrophobicContact CE-CD1 4.32Å; M278-L282 HydrophobicContact CG-CD1 3.68Å; M278-L282 HydrophobicContact CG-CG 4.29Å; M278-L282 WeakPolarHBondContact O-CB 3.5Å; M278-L282 VanDerWaalsContact O-CG 3.24Å; M278-L282 WeakPolarHBondContact O-CG 3.23Å; M278-L282 PolarHBondContact O-N 3.03Å; M278-L282 HydrophobicContact SD-CD1 4.48Å; N279-L282 PolarHBondContact O-N 2.9Å; L282-L285 PolarHBondContact O-N 2.96Å; L282-S286 WeakPolarHBondContact O-CB 3.23Å; L282-S286 PolarHBondContact O-N 3.18Å; L282-F318 HydrophobicContact CD2-CD2 4Å; L282-F318 HydrophobicContact CD2-CE2 3.94Å; L282-L321 HydrophobicContact CD1-CD2 3.85Å; L282-L321 HydrophobicContact CD2-CD2 4.08Å; L282-P336 HydrophobicContact CD1-CB 4.23Å; L282-F339 HydrophobicContact CD1-CD1 3.97Å; L282-F339 HydrophobicContact CD1-CE1 3.85Å; L282-F339 HydrophobicContact CD2-CD1 4.26Å; L282-F339 HydrophobicContact CD2-CE1 3.78Å; L282-F339 HydrophobicContact CD2-CE2 4.32Å; L282-F339 HydrophobicContact CD2-CZ 3.81Å; L282-F339 HydrophobicContact CG-CE1 4.18Å; L282-L365 HydrophobicContact CD2-CD2 4.4Å
283	Q	98.6	Very high	97.4	Very high	3 Å²	3	19.3 Å²	19.3	1%	0.014	10%	0.096	C	C	.	.	H	α-helix	trans	-70	-37.5	176.9	-65.1	-69.9	18.7	0	0	112.7	A267 L269 N279 S280 I281 S286 N287 A560 F573	A267-Q283 PolarHBondContact O-NE2 2.83Å; L269-Q283 HydrophobicContact CD1-CG 4.1Å; N279-Q283 VanDerWaalsContact O-CG 3.32Å; N279-Q283 WeakPolarHBondContact O-CG 3.23Å; N279-Q283 PolarHBondContact O-N 2.68Å; S280-Q283 PolarHBondContact O-N 2.78Å; I281-Q283 VanDerWaalsContact C-N 3.31Å; I281-Q283 PolarHBondContact O-N 2.99Å; Q283-S286 PolarHBondContact O-N 2.89Å; Q283-N287 PolarHBondContact O-N 3.5Å; Q283-N287 VanDerWaalsContact O-N 3.11Å; Q283-N287 PolarHBondContact O-ND2 3.1Å; Q283-A560 HydrophobicContact CB-CB 3.89Å; Q283-F573 HydrophobicContact CB-CB 4.28Å; Q283-F573 HydrophobicContact CB-CD1 4.47Å; Q283-F573 HydrophobicContact CB-CG 4.23Å; Q283-F573 VanDerWaalsContact CD-CD1 3.41Å; Q283-F573 HydrophobicContact CG-CB 3.87Å; Q283-F573 HydrophobicContact CG-CD1 3.94Å; Q283-F573 HydrophobicContact CG-CG 4Å; Q283-F573 VanDerWaalsContact NE2-CD1 3.31Å
284	C	98.8	Very high	97.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.5	-45.1	173.2	-62.9	0	0	0	0	111.7	S280 I281 N287 T288 A545 F595	S280-C284 PolarHBondContact O-N 2.93Å; S280-C284 VanDerWaalsContact O-N 3.1Å; S280-C284 PolarHBondContact O-SG 2.9Å; I281-C284 PolarHBondContact O-N 3.39Å; C284-N287 PolarHBondContact O-N 3.01Å; C284-T288 PolarHBondContact O-N 2.88Å; C284-T288 PolarHBondContact O-OG1 3.31Å; C284-A545 HydrophobicContact CB-CB 3.91Å; C284-F595 HydrophobicContact CB-CD1 4.34Å; C284-F595 HydrophobicContact CB-CD2 3.78Å; C284-F595 HydrophobicContact CB-CE1 4.08Å; C284-F595 HydrophobicContact CB-CE2 3.49Å; C284-F595 VanDerWaalsContact CB-CE2 3.49Å; C284-F595 HydrophobicContact CB-CG 4.21Å; C284-F595 HydrophobicContact CB-CZ 3.65Å
285	L	98.6	Very high	97.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-68.8	-37.5	176.4	-67.1	176.9	0	0	0	112.2	I281 L282 N287 T288 L291 F318 L362 L365 L366 F415 F595	I281-L285 HydrophobicContact CG2-CD1 3.87Å; I281-L285 HydrophobicContact CG2-CG 4.29Å; I281-L285 WeakPolarHBondContact O-CG 3.42Å; I281-L285 PolarHBondContact O-N 3.16Å; L282-L285 PolarHBondContact O-N 2.96Å; L285-N287 VanDerWaalsContact C-N 3.27Å; L285-N287 PolarHBondContact O-N 2.91Å; L285-T288 WeakPolarHBondContact CA-OG1 3.32Å; L285-T288 WeakPolarHBondContact O-CB 3.34Å; L285-T288 PolarHBondContact O-N 3.47Å; L285-T288 PolarHBondContact O-OG1 3.23Å; L285-L291 HydrophobicContact CB-CD2 4.13Å; L285-L291 HydrophobicContact CD2-CD2 4.04Å; L285-F318 HydrophobicContact CB-CE2 4.35Å; L285-F318 HydrophobicContact CB-CZ 4.12Å; L285-F318 HydrophobicContact CD1-CE2 4.31Å; L285-F318 HydrophobicContact CD1-CZ 4.46Å; L285-L362 HydrophobicContact CD1-CD1 4.08Å; L285-L362 HydrophobicContact CD2-CD1 4.06Å; L285-L362 HydrophobicContact CG-CD1 4.29Å; L285-L365 HydrophobicContact CD1-CD2 3.58Å; L285-L365 HydrophobicContact CD1-CG 4.32Å; L285-L366 HydrophobicContact CD2-CD2 4.22Å; L285-F415 HydrophobicContact CD2-CE1 4.19Å; L285-F415 HydrophobicContact CD2-CE2 4.46Å; L285-F415 HydrophobicContact CD2-CZ 3.63Å; L285-F595 HydrophobicContact CD2-CE1 4.35Å
286	S	97.8	Very high	97.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-59.8	-34.2	175.5	-176.7	0	0	0	0	113	L282 Q283 R292 W326	L282-S286 WeakPolarHBondContact O-CB 3.23Å; L282-S286 PolarHBondContact O-N 3.18Å; Q283-S286 PolarHBondContact O-N 2.89Å; S286-R292 WeakPolarHBondContact O-CB 3.4Å; S286-W326 PolarHBondContact O-NE1 3.13Å; S286-W326 VanDerWaalsContact O-NE1 3.1Å; S286-W326 PolarHBondContact OG-NE1 3.11Å
287	N	97.4	Very high	97.4	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.011	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-0.9	175.2	-73.4	-84.9	0	0	0	113.6	Q283 C284 L285 R289 Y544 C562 P565	Q283-N287 PolarHBondContact O-N 3.5Å; Q283-N287 VanDerWaalsContact O-N 3.11Å; Q283-N287 PolarHBondContact O-ND2 3.1Å; C284-N287 PolarHBondContact O-N 3.01Å; L285-N287 VanDerWaalsContact C-N 3.27Å; L285-N287 PolarHBondContact O-N 2.91Å; N287-R289 PolarHBondContact O-N 3.49Å; N287-R289 VanDerWaalsContact O-N 3.12Å; N287-Y544 HydrophobicContact CB-CD2 4.47Å; N287-C562 HydrophobicContact CB-CB 3.97Å; N287-C562 WeakPolarHBondContact ND2-CB 3.38Å; N287-P565 WeakPolarHBondContact O-CG 3.31Å
288	T	97.6	Very high	97.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.126	C	C	.	.			trans	-76.6	98	176	-56.2	0	0	0	0	109.8	C284 L285 E290 L291 R292 F415 I497 Y544	C284-T288 PolarHBondContact O-N 2.88Å; C284-T288 PolarHBondContact O-OG1 3.31Å; L285-T288 WeakPolarHBondContact CA-OG1 3.32Å; L285-T288 WeakPolarHBondContact O-CB 3.34Å; L285-T288 PolarHBondContact O-N 3.47Å; L285-T288 PolarHBondContact O-OG1 3.23Å; T288-E290 PolarHBondContact O-N 2.93Å; T288-L291 HydrophobicContact CG2-CB 3.98Å; T288-L291 PolarHBondContact O-N 3.48Å; T288-R292 PolarHBondContact O-N 3.01Å; T288-F415 HydrophobicContact CG2-CZ 4.12Å; T288-I497 HydrophobicContact CG2-CD1 3.86Å; T288-I497 HydrophobicContact CG2-CG1 3.81Å; T288-I497 HydrophobicContact CG2-CG2 4.37Å; T288-Y544 WeakPolarHBondContact CG2-OH 3.29Å; T288-Y544 VanDerWaalsContact OG1-CE2 3.32Å; T288-Y544 WeakPolarHBondContact OG1-CE2 3.18Å; T288-Y544 PolarHBondContact OG1-OH 3.38Å
289	R	95.1	Very high	97.1	Very high	146 Å²	146	32.2 Å²	32.2	55%	0.551	14%	0.142	S	C	*	.	H	α-helix	trans	-46.4	-57.8	-166.6	-178.8	178	174.5	-176.6	-0.6	115.2	N287 L291 R292 D293	N287-R289 PolarHBondContact O-N 3.49Å; N287-R289 VanDerWaalsContact O-N 3.12Å; R289-L291 VanDerWaalsContact C-N 3.29Å; R289-L291 PolarHBondContact O-N 2.85Å; R289-R292 PolarHBondContact O-N 3.11Å; R289-D293 WeakPolarHBondContact CG-OD2 3.4Å; R289-D293 IonicContact NE-OD2 2.68Å; R289-D293 WeakPolarHBondContact O-CB 3.5Å; R289-D293 PolarHBondContact O-N 3.32Å
290	E	95.9	Very high	96.9	Very high	63 Å²	63	32.3 Å²	32.3	29%	0.294	14%	0.142	S	C	.	.	H	α-helix	trans	-67	-27.4	-176.3	-77.6	-168.1	-119.9	0	0	113.6	T288 Y294 R410 L414 K496	T288-E290 PolarHBondContact O-N 2.93Å; E290-Y294 VanDerWaalsContact O-CB 3.32Å; E290-Y294 WeakPolarHBondContact O-CB 3.45Å; E290-Y294 PolarHBondContact O-N 2.97Å; E290-R410 IonicContact OE2-CZ 2.62Å; E290-R410 IonicContact OE2-NH1 2.67Å; E290-R410 IonicContact OE2-NH2 2.67Å; E290-R410 PolarHBondContact OE2-NH2 3.16Å; E290-L414 HydrophobicContact CB-CD1 4.09Å; E290-L414 HydrophobicContact CB-CD2 3.51Å; E290-L414 HydrophobicContact CB-CG 4.47Å; E290-L414 HydrophobicContact CG-CD2 4.21Å; E290-K496 WeakPolarHBondContact OE1-CD 3.35Å; E290-K496 IonicContact OE1-NZ 3.73Å; E290-K496 PolarHBondContact OE1-NZ 3.3Å; E290-K496 IonicContact OE2-NZ 3.81Å; E290-K496 PolarHBondContact OE2-NZ 2.93Å
291	L	97.4	Very high	96.5	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-76.4	-45.9	175.4	178.1	62.4	0	0	0	110.8	L285 T288 R289 Y294 C295 F318 I411 L414 F415	L285-L291 HydrophobicContact CB-CD2 4.13Å; L285-L291 HydrophobicContact CD2-CD2 4.04Å; T288-L291 HydrophobicContact CG2-CB 3.98Å; T288-L291 PolarHBondContact O-N 3.48Å; R289-L291 VanDerWaalsContact C-N 3.29Å; R289-L291 PolarHBondContact O-N 2.85Å; L291-Y294 WeakPolarHBondContact O-CB 3.49Å; L291-Y294 PolarHBondContact O-N 3.22Å; L291-C295 PolarHBondContact O-N 2.77Å; L291-C295 PolarHBondContact O-SG 2.83Å; L291-F318 HydrophobicContact CD1-CE1 4.21Å; L291-F318 HydrophobicContact CD2-CE1 4.13Å; L291-F318 HydrophobicContact CD2-CZ 3.97Å; L291-F318 HydrophobicContact CG-CE1 4.18Å; L291-F318 HydrophobicContact CG-CZ 4.43Å; L291-I411 HydrophobicContact CD1-CD1 3.66Å; L291-L414 HydrophobicContact CB-CD1 3.84Å; L291-F415 HydrophobicContact CD2-CE2 4.23Å; L291-F415 HydrophobicContact CD2-CZ 4.41Å
292	R	96.3	Very high	96.1	Very high	30 Å²	30	46.8 Å²	46.8	11%	0.113	20%	0.202	C	C	.	.	H	α-helix	trans	-55.7	-52	173.1	-179.8	-159.1	66.2	-172.9	-0.7	110.7	S286 T288 R289 Y294 C295 L296 I322 W326	S286-R292 WeakPolarHBondContact O-CB 3.4Å; T288-R292 PolarHBondContact O-N 3.01Å; R289-R292 PolarHBondContact O-N 3.11Å; R292-Y294 VanDerWaalsContact C-N 3.27Å; R292-Y294 PolarHBondContact O-N 3.31Å; R292-C295 WeakPolarHBondContact O-CB 3.34Å; R292-C295 PolarHBondContact O-N 3.43Å; R292-L296 HydrophobicContact CG-CD1 3.81Å; R292-L296 HydrophobicContact CG-CG 4.1Å; R292-L296 WeakPolarHBondContact O-CG 3.42Å; R292-L296 PolarHBondContact O-N 3.37Å; R292-I322 HydrophobicContact CG-CG2 4.05Å; R292-W326 HydrophobicContact CG-CD2 4.27Å; R292-W326 HydrophobicContact CG-CG 4.33Å; R292-W326 VanDerWaalsContact NH1-CH2 3.29Å
293	D	95.9	Very high	95.6	Very high	34 Å²	34	48.5 Å²	48.5	18%	0.182	21%	0.211	C	C	.	.	H	α-helix	trans	-63.4	-35.5	-176.1	-65.3	-9.3	0	0	0	111	R289 L296 Q297	R289-D293 WeakPolarHBondContact CG-OD2 3.4Å; R289-D293 IonicContact NE-OD2 2.68Å; R289-D293 WeakPolarHBondContact O-CB 3.5Å; R289-D293 PolarHBondContact O-N 3.32Å; D293-L296 PolarHBondContact O-N 3.39Å; D293-Q297 VanDerWaalsContact O-CB 3.23Å; D293-Q297 WeakPolarHBondContact O-CB 3.43Å; D293-Q297 WeakPolarHBondContact O-CG 3.36Å; D293-Q297 PolarHBondContact O-N 2.64Å
294	Y	96.8	Very high	95.1	Very high	6 Å²	6	49.4 Å²	49.4	2%	0.024	22%	0.216	C	C	.	.	H	α-helix	trans	-63.1	-40.9	171.3	177.3	-112.6	0	0	0	113.2	E290 L291 R292 R298 L299 Y300 D303 M315 R410 I411	E290-Y294 VanDerWaalsContact O-CB 3.32Å; E290-Y294 WeakPolarHBondContact O-CB 3.45Å; E290-Y294 PolarHBondContact O-N 2.97Å; L291-Y294 WeakPolarHBondContact O-CB 3.49Å; L291-Y294 PolarHBondContact O-N 3.22Å; R292-Y294 VanDerWaalsContact C-N 3.27Å; R292-Y294 PolarHBondContact O-N 3.31Å; Y294-R298 PolarHBondContact O-N 3.32Å; Y294-L299 HydrophobicContact CD2-CB 3.43Å; Y294-L299 VanDerWaalsContact CD2-CB 3.43Å; Y294-L299 HydrophobicContact CD2-CD1 4.39Å; Y294-L299 HydrophobicContact CE2-CB 3.87Å; Y294-L299 HydrophobicContact CG-CB 4.36Å; Y294-L299 PolarHBondContact O-N 3.48Å; Y294-L299 VanDerWaalsContact O-N 3.15Å; Y294-Y300 VanDerWaalsContact CE1-CB 3.48Å; Y294-Y300 VanDerWaalsContact CZ-CA 3.43Å; Y294-D303 WeakPolarHBondContact OH-CB 3.45Å; Y294-D303 PolarHBondContact OH-OD2 2.89Å; Y294-M315 HydrophobicContact CD1-CE 4.03Å; Y294-M315 HydrophobicContact CE1-CE 3.88Å; Y294-R410 HydrophobicContact CD1-CB 4.34Å; Y294-R410 HydrophobicContact CD1-CG 3.97Å; Y294-R410 HydrophobicContact CD2-CB 4.25Å; Y294-R410 HydrophobicContact CD2-CG 3.61Å; Y294-R410 HydrophobicContact CE1-CB 3.74Å; Y294-R410 HydrophobicContact CE1-CG 3.88Å; Y294-R410 HydrophobicContact CE2-CB 3.65Å; Y294-R410 HydrophobicContact CE2-CG 3.53Å; Y294-R410 HydrophobicContact CG-CG 3.82Å; Y294-R410 WeakPolarHBondContact OH-CB 3.35Å; Y294-I411 HydrophobicContact CE1-CD1 4.5Å
295	C	96.9	Very high	94	Very high	0 Å²	0	53 Å²	53	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-69	-44.5	173.8	-69.6	0	0	0	0	112.9	L291 R292 R298 M315 A319 I322 Q323	L291-C295 PolarHBondContact O-N 2.77Å; L291-C295 PolarHBondContact O-SG 2.83Å; R292-C295 WeakPolarHBondContact O-CB 3.34Å; R292-C295 PolarHBondContact O-N 3.43Å; C295-R298 PolarHBondContact O-N 2.94Å; C295-M315 VanDerWaalsContact SG-CE 3.56Å; C295-A319 HydrophobicContact CB-CB 4.06Å; C295-I322 HydrophobicContact CB-CB 4.05Å; C295-I322 HydrophobicContact CB-CG2 3.95Å; C295-Q323 PolarHBondContact O-NE2 3.1Å
296	L	95.6	Very high	92.3	Very high	58 Å²	58	61.4 Å²	61.4	30%	0.304	27%	0.271	S	S	.	.	H	α-helix	trans	-69.3	-41.6	-177.7	-65.5	-176.5	0	0	0	112.3	R292 D293 R298 I322 Q323 W326	R292-L296 HydrophobicContact CG-CD1 3.81Å; R292-L296 HydrophobicContact CG-CG 4.1Å; R292-L296 WeakPolarHBondContact O-CG 3.42Å; R292-L296 PolarHBondContact O-N 3.37Å; D293-L296 PolarHBondContact O-N 3.39Å; L296-R298 PolarHBondContact O-N 3.28Å; L296-I322 HydrophobicContact CD2-CG2 4.39Å; L296-Q323 HydrophobicContact CD2-CB 4.32Å; L296-Q323 HydrophobicContact CD2-CG 3.88Å; L296-W326 HydrophobicContact CD1-CB 4.22Å; L296-W326 HydrophobicContact CD1-CG 4.36Å; L296-W326 HydrophobicContact CD2-CB 4.01Å
297	Q	96.2	Very high	90.2	Very high	127 Å²	127	65.9 Å²	65.9	59%	0.593	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	2.9	178.4	-62.3	171.5	20	0	0	113	D293 L299	D293-Q297 VanDerWaalsContact O-CB 3.23Å; D293-Q297 WeakPolarHBondContact O-CB 3.43Å; D293-Q297 WeakPolarHBondContact O-CG 3.36Å; D293-Q297 PolarHBondContact O-N 2.64Å; Q297-L299 HydrophobicContact CB-CD1 4.2Å; Q297-L299 HydrophobicContact CB-CG 3.9Å; Q297-L299 PolarHBondContact O-N 3.36Å; Q297-L299 VanDerWaalsContact O-N 3.08Å
298	R	95.3	Very high	87.9	Confident	131 Å²	131	71.7 Å²	71.7	49%	0.494	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	22.5	-179.6	-63.8	-178	170.5	-137.9	-4.6	115	Y294 C295 L296 Y300 M301	Y294-R298 PolarHBondContact O-N 3.32Å; C295-R298 PolarHBondContact O-N 2.94Å; L296-R298 PolarHBondContact O-N 3.28Å; R298-Y300 HydrophobicContact CB-CE1 4.17Å; R298-Y300 HydrophobicContact CG-CE1 4.14Å; R298-Y300 PolarHBondContact O-N 2.83Å; R298-M301 HydrophobicContact CB-CG 4.33Å; R298-M301 HydrophobicContact CB-SD 4.03Å; R298-M301 HydrophobicContact CG-SD 4.46Å; R298-M301 WeakPolarHBondContact O-CB 3.35Å; R298-M301 WeakPolarHBondContact O-CG 3.36Å; R298-M301 PolarHBondContact O-N 2.92Å
299	L	94.6	Very high	85.6	Confident	69 Å²	69	78.8 Å²	78.8	36%	0.361	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-61.8	-29.1	-179.2	-68.7	176.2	0	0	0	112.3	Y294 Q297 M301 R302	Y294-L299 HydrophobicContact CD2-CB 3.43Å; Y294-L299 VanDerWaalsContact CD2-CB 3.43Å; Y294-L299 HydrophobicContact CD2-CD1 4.39Å; Y294-L299 HydrophobicContact CE2-CB 3.87Å; Y294-L299 HydrophobicContact CG-CB 4.36Å; Y294-L299 PolarHBondContact O-N 3.48Å; Y294-L299 VanDerWaalsContact O-N 3.15Å; Q297-L299 HydrophobicContact CB-CD1 4.2Å; Q297-L299 HydrophobicContact CB-CG 3.9Å; Q297-L299 PolarHBondContact O-N 3.36Å; Q297-L299 VanDerWaalsContact O-N 3.08Å; L299-M301 PolarHBondContact O-N 3.29Å; L299-R302 WeakPolarHBondContact O-CB 3.49Å; L299-R302 PolarHBondContact O-N 2.94Å
300	Y	93	Very high	83.5	Confident	5 Å²	5	75.9 Å²	75.9	2%	0.02	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-56.7	-27.1	173.9	72	-89.2	0	0	0	113.8	Y294 R298 R302 D303 L304 M315 E316 A319	Y294-Y300 VanDerWaalsContact CE1-CB 3.48Å; Y294-Y300 VanDerWaalsContact CZ-CA 3.43Å; R298-Y300 HydrophobicContact CB-CE1 4.17Å; R298-Y300 HydrophobicContact CG-CE1 4.14Å; R298-Y300 PolarHBondContact O-N 2.83Å; Y300-R302 PolarHBondContact O-N 3.47Å; Y300-R302 VanDerWaalsContact O-N 3.07Å; Y300-D303 PolarHBondContact O-N 3.02Å; Y300-D303 VanDerWaalsContact O-N 3.09Å; Y300-L304 HydrophobicContact CD2-CD1 3.64Å; Y300-L304 HydrophobicContact CD2-CG 4.14Å; Y300-L304 HydrophobicContact CE2-CD1 3.87Å; Y300-L304 WeakPolarHBondContact O-CG 3.26Å; Y300-L304 PolarHBondContact O-N 2.88Å; Y300-M315 HydrophobicContact CD1-CE 4.41Å; Y300-M315 HydrophobicContact CD2-CG 4.06Å; Y300-M315 HydrophobicContact CG-CE 4.01Å; Y300-M315 HydrophobicContact CG-CG 4.35Å; Y300-E316 HydrophobicContact CE2-CG 4.24Å; Y300-A319 HydrophobicContact CD1-CB 3.85Å; Y300-A319 HydrophobicContact CD2-CB 4.5Å; Y300-A319 HydrophobicContact CE1-CB 3.3Å; Y300-A319 HydrophobicContact CE2-CB 4.05Å; Y300-A319 HydrophobicContact CG-CB 4.42Å; Y300-A319 VanDerWaalsContact CZ-CB 3.43Å
301	M	91.9	Very high	81.3	Confident	96 Å²	96	80.5 Å²	80.5	47%	0.473	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-65.2	-11.5	176.9	-61.7	-174.6	67.6	0	0	113.4	R298 L299	R298-M301 HydrophobicContact CB-CG 4.33Å; R298-M301 HydrophobicContact CB-SD 4.03Å; R298-M301 HydrophobicContact CG-SD 4.46Å; R298-M301 WeakPolarHBondContact O-CB 3.35Å; R298-M301 WeakPolarHBondContact O-CG 3.36Å; R298-M301 PolarHBondContact O-N 2.92Å; L299-M301 PolarHBondContact O-N 3.29Å
302	R	89.8	Confident	79.5	Confident	212 Å²	212	83.4 Å²	83.4	80%	0.8	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-92.5	-25.8	174.1	-61.9	-179.5	57.8	-164.6	-7.9	114	L299 Y300	L299-R302 WeakPolarHBondContact O-CB 3.49Å; L299-R302 PolarHBondContact O-N 2.94Å; Y300-R302 PolarHBondContact O-N 3.47Å; Y300-R302 VanDerWaalsContact O-N 3.07Å
303	D	88.4	Confident	78.7	Confident	35 Å²	35	83.3 Å²	83.3	19%	0.187	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-14.9	-179.9	-65.7	-13.7	0	0	0	111.2	Y294 Y300 V373 R375	Y294-D303 WeakPolarHBondContact OH-CB 3.45Å; Y294-D303 PolarHBondContact OH-OD2 2.89Å; Y300-D303 PolarHBondContact O-N 3.02Å; Y300-D303 VanDerWaalsContact O-N 3.09Å; D303-V373 HydrophobicContact CB-CB 3.82Å; D303-V373 HydrophobicContact CB-CG1 4.34Å; D303-V373 WeakPolarHBondContact O-CA 3.44Å; D303-R375 IonicContact OD1-NE 3.65Å; D303-R375 IonicContact OD2-CZ 2.97Å; D303-R375 IonicContact OD2-NE 3.63Å; D303-R375 IonicContact OD2-NH2 3.5Å; D303-R375 PolarHBondContact OD2-NH2 2.87Å
304	L	88.1	Confident	78.6	Confident	22 Å²	22	81.8 Å²	81.8	12%	0.115	43%	0.425	C	S	.	.	S	Bend	trans	-64.8	133.6	179.2	-93.4	177.8	0	0	0	113.4	Y300 H306 A313 M315 E316 E372 V373	Y300-L304 HydrophobicContact CD2-CD1 3.64Å; Y300-L304 HydrophobicContact CD2-CG 4.14Å; Y300-L304 HydrophobicContact CE2-CD1 3.87Å; Y300-L304 WeakPolarHBondContact O-CG 3.26Å; Y300-L304 PolarHBondContact O-N 2.88Å; L304-H306 PolarHBondContact O-N 3.49Å; L304-A313 HydrophobicContact CD2-CB 4.32Å; L304-M315 HydrophobicContact CD2-CB 4.23Å; L304-E316 HydrophobicContact CD1-CG 3.94Å; L304-E372 HydrophobicContact CD2-CB 4.22Å; L304-V373 HydrophobicContact CD2-CG1 4.05Å; L304-V373 HydrophobicContact CG-CG1 4.17Å
305	H	74.9	Confident	78.5	Confident	77 Å²	77	81.5 Å²	81.5	36%	0.356	42%	0.424	S	S	.	.			trans	-77.8	112.2	171.2	-69.5	154.2	0	0	0	113.1	S307 E372 N374 T377	H305-S307 PolarHBondContact O-N 3.06Å; H305-E372 PolarHBondContact N-O 3.05Å; H305-N374 PolarHBondContact CE1-O 2.85Å; H305-N374 PolarHBondContact NE2-O 3.4Å; H305-T377 WeakPolarHBondContact NE2-CG2 3.48Å
306	H	62.8	Low	78.4	Confident	176 Å²	176	84.5 Å²	84.5	82%	0.815	44%	0.438	S	S	*	.			trans	-70.7	67.3	167.8	-64.8	-44.2	0	0	0	112.3	L304	L304-H306 PolarHBondContact O-N 3.49Å
307	S	55.1	Low	78.4	Confident	94 Å²	94	83 Å²	83	66%	0.657	43%	0.43	S	S	*	.			trans	-75.5	131.8	168.4	76.1	0	0	0	0	110.3	H305 N309	H305-S307 PolarHBondContact O-N 3.06Å; S307-N309 PolarHBondContact O-N 3.36Å
308	S	48.7	Very low	78.5	Confident	123 Å²	123	77 Å²	77	86%	0.86	40%	0.401	S	S	*	.	S	Bend	trans	-71.5	1.4	-165.8	-43.5	0	0	0	0	116
309	N	49.9	Very low	78.6	Confident	150 Å²	150	70.8 Å²	70.8	80%	0.802	38%	0.378	S	S	*	.	S	Bend	trans	-99.4	90.9	-176.5	-68.6	-13.2	0	0	0	109.5	S307 H311	S307-N309 PolarHBondContact O-N 3.36Å; N309-H311 PolarHBondContact O-N 2.89Å
310	A	50.6	Low	78.7	Confident	85 Å²	85	70.8 Å²	70.8	70%	0.702	38%	0.375	S	S	*	.			trans	-61.2	124.8	-174.9	0	0	0	0	0	113.1
311	H	49.7	Very low	79	Confident	159 Å²	159	71 Å²	71	74%	0.736	38%	0.376	S	S	*	.	S	Bend	trans	-173.4	76	145.3	-86.6	-40.8	0	0	0	111.4	N309	N309-H311 PolarHBondContact O-N 2.89Å
312	T	58.5	Low	79.3	Confident	63 Å²	63	66.5 Å²	66.5	39%	0.387	35%	0.354	S	S	.	.			trans	47.6	93.3	164.5	49.5	0	0	0	0	116.7	Q342 R345	T312-Q342 PolarHBondContact O-OE1 2.88Å; T312-Q342 PolarHBondContact OG1-NE2 2.84Å; T312-Q342 PolarHBondContact OG1-OE1 3.22Å; T312-R345 PolarHBondContact OG1-NH1 2.7Å
313	A	80.6	Confident	79.6	Confident	28 Å²	28	57.7 Å²	57.7	23%	0.231	32%	0.322	C	S	.	.			trans	-55.2	140.8	175.5	0	0	0	0	0	113	L304 M315 E316 E317 E372	L304-A313 HydrophobicContact CD2-CB 4.32Å; A313-M315 VanDerWaalsContact C-N 3.3Å; A313-M315 PolarHBondContact O-N 2.86Å; A313-E316 HydrophobicContact CB-CB 4.43Å; A313-E316 HydrophobicContact CB-CG 4.24Å; A313-E316 WeakPolarHBondContact O-CB 3.4Å; A313-E316 PolarHBondContact O-N 2.63Å; A313-E316 VanDerWaalsContact O-N 3.1Å; A313-E317 PolarHBondContact O-N 2.84Å; A313-E372 WeakPolarHBondContact CA-OE1 3.46Å; A313-E372 WeakPolarHBondContact CB-OE2 2.98Å
314	L	93	Very high	80	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-58	-40.6	178.9	173.1	63.7	0	0	0	112.2	E316 E317 F318 F339 Q342 I343 Y346 L365 L369 E372	L314-E316 VanDerWaalsContact C-N 3.32Å; L314-E316 PolarHBondContact O-N 2.67Å; L314-E317 PolarHBondContact O-N 2.87Å; L314-F318 VanDerWaalsContact O-CB 3.27Å; L314-F318 WeakPolarHBondContact O-CB 3.26Å; L314-F318 PolarHBondContact O-N 2.83Å; L314-F339 HydrophobicContact CD1-CD2 4.13Å; L314-F339 HydrophobicContact CD1-CE2 3.7Å; L314-F339 HydrophobicContact CD1-CZ 4.46Å; L314-Q342 HydrophobicContact CB-CB 4.36Å; L314-Q342 HydrophobicContact CD1-CB 3.99Å; L314-I343 HydrophobicContact CD1-CB 3.87Å; L314-I343 HydrophobicContact CD1-CD1 4.12Å; L314-I343 HydrophobicContact CD2-CD1 3.79Å; L314-Y346 HydrophobicContact CD2-CD1 4.47Å; L314-Y346 HydrophobicContact CD2-CG 4.2Å; L314-L365 HydrophobicContact CD1-CD1 4.35Å; L314-L365 HydrophobicContact CD2-CD1 4.32Å; L314-L369 HydrophobicContact CG-CD2 4.1Å; L314-E372 WeakPolarHBondContact CB-OE1 3.42Å; L314-E372 VanDerWaalsContact N-CD 3.28Å; L314-E372 PolarHBondContact N-OE1 2.67Å; L314-E372 PolarHBondContact N-OE2 3.31Å
315	M	95.1	Very high	80.4	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65.3	-33.2	176.7	-176.4	71.1	-143.9	0	0	112	Y294 C295 Y300 L304 A313 F318 A319 L369 E372 V373 I411	Y294-M315 HydrophobicContact CD1-CE 4.03Å; Y294-M315 HydrophobicContact CE1-CE 3.88Å; C295-M315 VanDerWaalsContact SG-CE 3.56Å; Y300-M315 HydrophobicContact CD1-CE 4.41Å; Y300-M315 HydrophobicContact CD2-CG 4.06Å; Y300-M315 HydrophobicContact CG-CE 4.01Å; Y300-M315 HydrophobicContact CG-CG 4.35Å; L304-M315 HydrophobicContact CD2-CB 4.23Å; A313-M315 VanDerWaalsContact C-N 3.3Å; A313-M315 PolarHBondContact O-N 2.86Å; M315-F318 HydrophobicContact CE-CD1 4.13Å; M315-F318 HydrophobicContact SD-CD1 4.39Å; M315-A319 HydrophobicContact CE-CB 4.43Å; M315-A319 WeakPolarHBondContact O-CB 3.36Å; M315-A319 PolarHBondContact O-N 2.77Å; M315-L369 HydrophobicContact CB-CD2 4.07Å; M315-L369 HydrophobicContact SD-CB 4.14Å; M315-L369 HydrophobicContact SD-CD2 3.66Å; M315-L369 HydrophobicContact SD-CG 4.38Å; M315-E372 HydrophobicContact CB-CB 4.38Å; M315-E372 VanDerWaalsContact CB-OE2 3.29Å; M315-E372 WeakPolarHBondContact CB-OE2 3.35Å; M315-E372 PolarHBondContact N-OE2 3Å; M315-V373 HydrophobicContact CB-CG1 4.39Å; M315-V373 HydrophobicContact CG-CG1 3.75Å; M315-V373 HydrophobicContact SD-CG1 4.38Å; M315-I411 HydrophobicContact SD-CD1 4.41Å
316	E	94.5	Very high	81.4	Confident	63 Å²	63	54.4 Å²	54.4	29%	0.294	31%	0.309	S	S	.	.	H	α-helix	trans	-67	-49.3	173	-78.3	-168.4	-166.2	0	0	111.7	Y300 L304 A313 L314 F318 A319 K320	Y300-E316 HydrophobicContact CE2-CG 4.24Å; L304-E316 HydrophobicContact CD1-CG 3.94Å; A313-E316 HydrophobicContact CB-CB 4.43Å; A313-E316 HydrophobicContact CB-CG 4.24Å; A313-E316 WeakPolarHBondContact O-CB 3.4Å; A313-E316 PolarHBondContact O-N 2.63Å; A313-E316 VanDerWaalsContact O-N 3.1Å; L314-E316 VanDerWaalsContact C-N 3.32Å; L314-E316 PolarHBondContact O-N 2.67Å; E316-F318 VanDerWaalsContact C-N 3.34Å; E316-A319 PolarHBondContact O-N 2.81Å; E316-K320 WeakPolarHBondContact O-CB 3.16Å; E316-K320 WeakPolarHBondContact O-CD 3.24Å; E316-K320 WeakPolarHBondContact O-CG 3.19Å; E316-K320 PolarHBondContact O-N 3.31Å; E316-K320 IonicContact OE2-NZ 3.98Å; E316-K320 PolarHBondContact OE2-NZ 3Å
317	E	96.2	Very high	82.9	Confident	27 Å²	27	50.9 Å²	50.9	13%	0.126	30%	0.3	C	S	.	.	H	α-helix	trans	-68.9	-33.7	-179.9	-65.1	-48.9	135.5	0	0	112.2	A313 L314 K320 L321 F339 Q342	A313-E317 PolarHBondContact O-N 2.84Å; L314-E317 PolarHBondContact O-N 2.87Å; E317-K320 WeakPolarHBondContact OE1-CD 3.15Å; E317-K320 IonicContact OE1-NZ 2.8Å; E317-K320 PolarHBondContact OE1-NZ 3.08Å; E317-K320 WeakPolarHBondContact OE2-CD 3.4Å; E317-L321 VanDerWaalsContact O-CB 3.27Å; E317-L321 WeakPolarHBondContact O-CB 3.41Å; E317-L321 PolarHBondContact O-N 2.69Å; E317-F339 HydrophobicContact CB-CB 4.43Å; E317-Q342 HydrophobicContact CB-CG 3.92Å; E317-Q342 HydrophobicContact CG-CG 3.49Å; E317-Q342 VanDerWaalsContact CG-CG 3.49Å
318	F	98	Very high	84.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.1	-49.9	168.4	178.5	-104	0	0	0	111.2	L282 L285 L291 L314 M315 E316 K320 L321 I322 F339 L369	L282-F318 HydrophobicContact CD2-CD2 4Å; L282-F318 HydrophobicContact CD2-CE2 3.94Å; L285-F318 HydrophobicContact CB-CE2 4.35Å; L285-F318 HydrophobicContact CB-CZ 4.12Å; L285-F318 HydrophobicContact CD1-CE2 4.31Å; L285-F318 HydrophobicContact CD1-CZ 4.46Å; L291-F318 HydrophobicContact CD1-CE1 4.21Å; L291-F318 HydrophobicContact CD2-CE1 4.13Å; L291-F318 HydrophobicContact CD2-CZ 3.97Å; L291-F318 HydrophobicContact CG-CE1 4.18Å; L291-F318 HydrophobicContact CG-CZ 4.43Å; L314-F318 VanDerWaalsContact O-CB 3.27Å; L314-F318 WeakPolarHBondContact O-CB 3.26Å; L314-F318 PolarHBondContact O-N 2.83Å; M315-F318 HydrophobicContact CE-CD1 4.13Å; M315-F318 HydrophobicContact SD-CD1 4.39Å; E316-F318 VanDerWaalsContact C-N 3.34Å; F318-K320 PolarHBondContact O-N 2.84Å; F318-L321 WeakPolarHBondContact O-CB 3.3Å; F318-L321 PolarHBondContact O-N 3.03Å; F318-I322 HydrophobicContact CD1-CG1 4.35Å; F318-I322 HydrophobicContact CD2-CG1 4.49Å; F318-I322 HydrophobicContact CE1-CG1 3.95Å; F318-I322 HydrophobicContact CE2-CD1 4.03Å; F318-I322 HydrophobicContact CE2-CG1 4.11Å; F318-I322 HydrophobicContact CZ-CD1 4.02Å; F318-I322 HydrophobicContact CZ-CG1 3.81Å; F318-I322 WeakPolarHBondContact O-CG1 3.38Å; F318-I322 PolarHBondContact O-N 3.25Å; F318-F339 HydrophobicContact CB-CD2 4.1Å; F318-F339 HydrophobicContact CB-CE2 4.06Å; F318-F339 HydrophobicContact CD2-CE2 4.03Å; F318-L369 HydrophobicContact CB-CD2 3.65Å; F318-L369 HydrophobicContact CD1-CD1 3.86Å; F318-L369 HydrophobicContact CD1-CD2 3.85Å; F318-L369 HydrophobicContact CD2-CD1 4.26Å; F318-L369 HydrophobicContact CE1-CD1 3.93Å; F318-L369 HydrophobicContact CE2-CD1 4.32Å; F318-L369 HydrophobicContact CG-CD1 4.03Å; F318-L369 HydrophobicContact CG-CD2 3.77Å; F318-L369 HydrophobicContact CZ-CD1 4.17Å
319	A	97.6	Very high	86.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-65.7	-37.7	179.6	0	0	0	0	0	113.2	C295 Y300 M315 E316 L321 I322 Q323	C295-A319 HydrophobicContact CB-CB 4.06Å; Y300-A319 HydrophobicContact CD1-CB 3.85Å; Y300-A319 HydrophobicContact CD2-CB 4.5Å; Y300-A319 HydrophobicContact CE1-CB 3.3Å; Y300-A319 HydrophobicContact CE2-CB 4.05Å; Y300-A319 HydrophobicContact CG-CB 4.42Å; Y300-A319 VanDerWaalsContact CZ-CB 3.43Å; M315-A319 HydrophobicContact CE-CB 4.43Å; M315-A319 WeakPolarHBondContact O-CB 3.36Å; M315-A319 PolarHBondContact O-N 2.77Å; E316-A319 PolarHBondContact O-N 2.81Å; A319-L321 VanDerWaalsContact C-N 3.34Å; A319-I322 PolarHBondContact O-N 3.47Å; A319-Q323 WeakPolarHBondContact O-CB 3.46Å; A319-Q323 VanDerWaalsContact O-CG 3.23Å; A319-Q323 WeakPolarHBondContact O-CG 3.3Å; A319-Q323 PolarHBondContact O-N 2.94Å
320	K	97.1	Very high	88.4	Confident	69 Å²	69	39.5 Å²	39.5	30%	0.3	23%	0.231	S	C	.	.	H	α-helix	trans	-60.5	-43	171.5	-72	159.9	-167.7	165.9	0	110.8	E316 E317 F318 Q323 T324	E316-K320 WeakPolarHBondContact O-CB 3.16Å; E316-K320 WeakPolarHBondContact O-CD 3.24Å; E316-K320 WeakPolarHBondContact O-CG 3.19Å; E316-K320 PolarHBondContact O-N 3.31Å; E316-K320 IonicContact OE2-NZ 3.98Å; E316-K320 PolarHBondContact OE2-NZ 3Å; E317-K320 WeakPolarHBondContact OE1-CD 3.15Å; E317-K320 IonicContact OE1-NZ 2.8Å; E317-K320 PolarHBondContact OE1-NZ 3.08Å; E317-K320 WeakPolarHBondContact OE2-CD 3.4Å; F318-K320 PolarHBondContact O-N 2.84Å; K320-Q323 PolarHBondContact O-N 3.43Å; K320-T324 PolarHBondContact O-N 2.6Å; K320-T324 PolarHBondContact O-OG1 3.27Å
321	L	98.1	Very high	90.1	Very high	10 Å²	10	40.6 Å²	40.6	5%	0.052	23%	0.225	C	C	.	.	H	α-helix	trans	-65.8	-44.9	177.3	-179.1	57.9	0	0	0	112.2	L269 L282 E317 F318 A319 T324 I325 V334 P336 F339	L269-L321 HydrophobicContact CD2-CD1 4.06Å; L282-L321 HydrophobicContact CD1-CD2 3.85Å; L282-L321 HydrophobicContact CD2-CD2 4.08Å; E317-L321 VanDerWaalsContact O-CB 3.27Å; E317-L321 WeakPolarHBondContact O-CB 3.41Å; E317-L321 PolarHBondContact O-N 2.69Å; F318-L321 WeakPolarHBondContact O-CB 3.3Å; F318-L321 PolarHBondContact O-N 3.03Å; A319-L321 VanDerWaalsContact C-N 3.34Å; L321-T324 PolarHBondContact O-N 3.03Å; L321-I325 HydrophobicContact CD1-CD1 4.21Å; L321-I325 HydrophobicContact CD1-CG1 4.35Å; L321-I325 HydrophobicContact CG-CD1 4.04Å; L321-I325 WeakPolarHBondContact O-CG1 3.42Å; L321-I325 PolarHBondContact O-N 2.98Å; L321-V334 HydrophobicContact CD1-CG1 3.58Å; L321-P336 HydrophobicContact CD1-CB 4.37Å; L321-P336 HydrophobicContact CD2-CB 3.8Å; L321-F339 HydrophobicContact CD2-CB 3.94Å; L321-F339 HydrophobicContact CD2-CD1 4.21Å; L321-F339 HydrophobicContact CD2-CG 3.99Å
322	I	97.8	Very high	92.3	Very high	1 Å²	1	36 Å²	36	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-62.2	-44.8	173.9	-61.4	-46.2	0	0	0	111.1	R292 C295 L296 F318 A319 T324 I325 W326	R292-I322 HydrophobicContact CG-CG2 4.05Å; C295-I322 HydrophobicContact CB-CB 4.05Å; C295-I322 HydrophobicContact CB-CG2 3.95Å; L296-I322 HydrophobicContact CD2-CG2 4.39Å; F318-I322 HydrophobicContact CD1-CG1 4.35Å; F318-I322 HydrophobicContact CD2-CG1 4.49Å; F318-I322 HydrophobicContact CE1-CG1 3.95Å; F318-I322 HydrophobicContact CE2-CD1 4.03Å; F318-I322 HydrophobicContact CE2-CG1 4.11Å; F318-I322 HydrophobicContact CZ-CD1 4.02Å; F318-I322 HydrophobicContact CZ-CG1 3.81Å; F318-I322 WeakPolarHBondContact O-CG1 3.38Å; F318-I322 PolarHBondContact O-N 3.25Å; A319-I322 PolarHBondContact O-N 3.47Å; I322-T324 VanDerWaalsContact C-N 3.27Å; I322-T324 PolarHBondContact O-N 3.14Å; I322-I325 HydrophobicContact CD1-CD1 4.27Å; I322-I325 PolarHBondContact O-N 2.93Å; I322-W326 VanDerWaalsContact O-CD1 3.3Å; I322-W326 PolarHBondContact O-N 3.44Å; I322-W326 VanDerWaalsContact O-N 3.12Å
323	Q	96.8	Very high	94.1	Very high	28 Å²	28	35.8 Å²	35.8	13%	0.131	20%	0.204	C	C	.	.	H	α-helix	trans	-57.5	-40.5	174.5	-75.1	167.5	38.9	0	0	111.7	C295 L296 A319 K320 T327	C295-Q323 PolarHBondContact O-NE2 3.1Å; L296-Q323 HydrophobicContact CD2-CB 4.32Å; L296-Q323 HydrophobicContact CD2-CG 3.88Å; A319-Q323 WeakPolarHBondContact O-CB 3.46Å; A319-Q323 VanDerWaalsContact O-CG 3.23Å; A319-Q323 WeakPolarHBondContact O-CG 3.3Å; A319-Q323 PolarHBondContact O-N 2.94Å; K320-Q323 PolarHBondContact O-N 3.43Å; Q323-T327 WeakPolarHBondContact O-CB 3.41Å; Q323-T327 WeakPolarHBondContact O-CG2 3.29Å; Q323-T327 PolarHBondContact O-N 2.84Å; Q323-T327 VanDerWaalsContact O-N 3.09Å; Q323-T327 PolarHBondContact O-OG1 3.33Å
324	T	96.9	Very high	95	Very high	60 Å²	60	35.1 Å²	35.1	37%	0.368	20%	0.197	S	C	.	.	H	α-helix	trans	-65.5	-52.1	176.4	-50.2	0	0	0	0	111.5	K320 L321 I322 W326 T327 S328 V334	K320-T324 PolarHBondContact O-N 2.6Å; K320-T324 PolarHBondContact O-OG1 3.27Å; L321-T324 PolarHBondContact O-N 3.03Å; I322-T324 VanDerWaalsContact C-N 3.27Å; I322-T324 PolarHBondContact O-N 3.14Å; T324-W326 PolarHBondContact O-N 3.03Å; T324-W326 VanDerWaalsContact O-N 3.14Å; T324-T327 PolarHBondContact O-N 3.18Å; T324-T327 VanDerWaalsContact O-N 3.11Å; T324-T327 PolarHBondContact O-OG1 2.84Å; T324-S328 WeakPolarHBondContact O-CB 3.2Å; T324-S328 PolarHBondContact O-N 2.92Å; T324-V334 HydrophobicContact CG2-CB 4.46Å; T324-V334 HydrophobicContact CG2-CG1 3.74Å; T324-V334 HydrophobicContact CG2-CG2 3.79Å
325	I	96.7	Very high	95.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-54.9	-37	-179.6	-67.2	161.8	0	0	0	112.2	A267 L269 L321 I322	A267-I325 HydrophobicContact CB-CG2 4.32Å; L269-I325 HydrophobicContact CD2-CD1 4.11Å; L269-I325 HydrophobicContact CD2-CG1 4.29Å; L321-I325 HydrophobicContact CD1-CD1 4.21Å; L321-I325 HydrophobicContact CD1-CG1 4.35Å; L321-I325 HydrophobicContact CG-CD1 4.04Å; L321-I325 WeakPolarHBondContact O-CG1 3.42Å; L321-I325 PolarHBondContact O-N 2.98Å; I322-I325 HydrophobicContact CD1-CD1 4.27Å; I322-I325 PolarHBondContact O-N 2.93Å
326	W	95.4	Very high	95.3	Very high	5 Å²	5	37.6 Å²	37.6	2%	0.019	22%	0.215	C	C	.	.	H	α-helix	trans	-90.9	-10.6	-177.8	-74.2	86	0	0	0	115	A263 Q264 S286 R292 L296 I322 T324	A263-W326 VanDerWaalsContact CA-O 3.29Å; A263-W326 WeakPolarHBondContact CA-O 3.08Å; A263-W326 HydrophobicContact CB-CE3 4.35Å; A263-W326 WeakPolarHBondContact CB-O 3.49Å; A263-W326 VanDerWaalsContact O-CE3 3.28Å; A263-W326 VanDerWaalsContact O-CZ3 3.28Å; A263-W326 WeakPolarHBondContact O-CZ3 3.49Å; Q264-W326 VanDerWaalsContact C-CZ3 3.45Å; Q264-W326 WeakPolarHBondContact O-CZ3 3.37Å; S286-W326 PolarHBondContact O-NE1 3.13Å; S286-W326 VanDerWaalsContact O-NE1 3.1Å; S286-W326 PolarHBondContact OG-NE1 3.11Å; R292-W326 HydrophobicContact CG-CD2 4.27Å; R292-W326 HydrophobicContact CG-CG 4.33Å; R292-W326 VanDerWaalsContact NH1-CH2 3.29Å; L296-W326 HydrophobicContact CD1-CB 4.22Å; L296-W326 HydrophobicContact CD1-CG 4.36Å; L296-W326 HydrophobicContact CD2-CB 4.01Å; I322-W326 VanDerWaalsContact O-CD1 3.3Å; I322-W326 PolarHBondContact O-N 3.44Å; I322-W326 VanDerWaalsContact O-N 3.12Å; T324-W326 PolarHBondContact O-N 3.03Å; T324-W326 VanDerWaalsContact O-N 3.14Å
327	T	94.3	Very high	95.4	Very high	102 Å²	102	36.5 Å²	36.5	63%	0.626	21%	0.214	S	C	*	.	H	α-helix	trans	-106.3	-14.6	173.6	55.2	0	0	0	0	113.8	Q323 T324	Q323-T327 WeakPolarHBondContact O-CB 3.41Å; Q323-T327 WeakPolarHBondContact O-CG2 3.29Å; Q323-T327 PolarHBondContact O-N 2.84Å; Q323-T327 VanDerWaalsContact O-N 3.09Å; Q323-T327 PolarHBondContact O-OG1 3.33Å; T324-T327 PolarHBondContact O-N 3.18Å; T324-T327 VanDerWaalsContact O-N 3.11Å; T324-T327 PolarHBondContact O-OG1 2.84Å
328	S	92.9	Very high	95.4	Very high	28 Å²	28	40.1 Å²	40.1	20%	0.196	23%	0.231	C	C	.	.	S	Bend	trans	-58.2	155.4	166.7	-99.9	0	0	0	0	113	T324 D332	T324-S328 WeakPolarHBondContact O-CB 3.2Å; T324-S328 PolarHBondContact O-N 2.92Å; S328-D332 PolarHBondContact OG-OD2 2.87Å
329	S	90.9	Very high	95.4	Very high	39 Å²	39	40.3 Å²	40.3	27%	0.273	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-72	153.5	170.9	-28.9	0	0	0	0	110.1	N331 D332	S329-N331 PolarHBondContact O-N 3.29Å; S329-D332 WeakPolarHBondContact CA-OD2 3.41Å; S329-D332 VanDerWaalsContact CB-OD2 3.25Å; S329-D332 WeakPolarHBondContact CB-OD2 3.49Å; S329-D332 PolarHBondContact N-OD2 2.78Å; S329-D332 VanDerWaalsContact O-CB 3.32Å; S329-D332 WeakPolarHBondContact O-CB 3.46Å; S329-D332 PolarHBondContact O-N 3.02Å; S329-D332 VanDerWaalsContact O-N 3.07Å; S329-D332 PolarHBondContact OG-OD2 2.87Å
330	P	86	Confident	95.3	Very high	61 Å²	61	41.2 Å²	41.2	40%	0.396	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	132.9	175.3	-23.6	35.1	0	0	0	111.5	Q264 L266 D332	Q264-P330 VanDerWaalsContact OE1-CG 3.24Å; L266-P330 HydrophobicContact CB-CB 4.35Å; P330-D332 VanDerWaalsContact C-N 3.29Å; P330-D332 PolarHBondContact O-N 3.01Å
331	N	86.4	Confident	95.3	Very high	108 Å²	108	40.4 Å²	40.4	58%	0.578	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.1	8.5	-173.8	-38.4	-75.7	0	0	0	116.2	L266 S329 V578	L266-N331 PolarHBondContact O-N 2.76Å; S329-N331 PolarHBondContact O-N 3.29Å; N331-V578 PolarHBondContact OD1-O 3.09Å
332	D	94.8	Very high	95.1	Very high	61 Å²	61	40.5 Å²	40.5	33%	0.326	24%	0.237	S	C	.	.			trans	-61.7	151.1	165.1	-76.5	-11	0	0	0	110.3	A267 G268 S328 S329 P330	A267-D332 CarbonylContact C-O 3.26Å; A267-D332 VanDerWaalsContact CA-O 3.29Å; A267-D332 WeakPolarHBondContact CA-O 3.48Å; G268-D332 PolarHBondContact N-O 2.95Å; S328-D332 PolarHBondContact OG-OD2 2.87Å; S329-D332 WeakPolarHBondContact CA-OD2 3.41Å; S329-D332 VanDerWaalsContact CB-OD2 3.25Å; S329-D332 WeakPolarHBondContact CB-OD2 3.49Å; S329-D332 PolarHBondContact N-OD2 2.78Å; S329-D332 VanDerWaalsContact O-CB 3.32Å; S329-D332 WeakPolarHBondContact O-CB 3.46Å; S329-D332 PolarHBondContact O-N 3.02Å; S329-D332 VanDerWaalsContact O-N 3.07Å; S329-D332 PolarHBondContact OG-OD2 2.87Å; P330-D332 VanDerWaalsContact C-N 3.29Å; P330-D332 PolarHBondContact O-N 3.01Å
333	V	97.5	Very high	95	Very high	59 Å²	59	40.5 Å²	40.5	36%	0.358	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	106.1	-179.6	-177.4	0	0	0	0	110.9	R270	R270-V333 HydrophobicContact CB-CG1 4.13Å
334	V	98.1	Very high	94.9	Very high	14 Å²	14	40.9 Å²	40.9	9%	0.085	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	143.4	-179.4	-179.3	0	0	0	0	110.6	A267 G268 L269 R270 L321 T324 P336	A267-V334 HydrophobicContact CB-CG2 4.04Å; G268-V334 PolarHBondContact O-N 3.04Å; L269-V334 WeakPolarHBondContact CA-O 3.2Å; L269-V334 HydrophobicContact CD2-CB 4.16Å; L269-V334 HydrophobicContact CD2-CG1 4.42Å; R270-V334 PolarHBondContact N-O 3.29Å; L321-V334 HydrophobicContact CD1-CG1 3.58Å; T324-V334 HydrophobicContact CG2-CB 4.46Å; T324-V334 HydrophobicContact CG2-CG1 3.74Å; T324-V334 HydrophobicContact CG2-CG2 3.79Å; V334-P336 WeakPolarHBondContact O-CD 3.42Å
335	S	97.9	Very high	94.6	Very high	54 Å²	54	44.6 Å²	44.6	38%	0.378	25%	0.246	S	C	.	.			trans	-97.4	115.2	175.6	-176.2	0	0	0	0	110.8	S337	S335-S337 PolarHBondContact O-N 3.41Å; S335-S337 VanDerWaalsContact O-N 3.08Å; S335-S337 PolarHBondContact OG-OG 3.27Å
336	P	97.6	Very high	94.3	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	26%	0.259	C	S	.	.			trans	-82.1	33	177	34.6	-35.6	0	0	0	112.8	L269 L272 M278 L282 L321 V334 K340	L269-P336 HydrophobicContact CD2-CB 4.4Å; L269-P336 HydrophobicContact CD2-CG 4.44Å; L272-P336 HydrophobicContact CD1-CG 3.94Å; L272-P336 HydrophobicContact CG-CG 4.36Å; M278-P336 HydrophobicContact CE-CB 3.84Å; M278-P336 HydrophobicContact CE-CG 3.56Å; L282-P336 HydrophobicContact CD1-CB 4.23Å; L321-P336 HydrophobicContact CD1-CB 4.37Å; L321-P336 HydrophobicContact CD2-CB 3.8Å; V334-P336 WeakPolarHBondContact O-CD 3.42Å; P336-K340 WeakPolarHBondContact O-CB 3.29Å; P336-K340 PolarHBondContact O-N 3.31Å
337	S	97	Very high	94.2	Very high	40 Å²	40	47.8 Å²	47.8	28%	0.28	26%	0.26	S	S	.	.	H	α-helix	trans	-67.8	-47.2	-171	53	0	0	0	0	113.4	S335 F339 K340 T341	S335-S337 PolarHBondContact O-N 3.41Å; S335-S337 VanDerWaalsContact O-N 3.08Å; S335-S337 PolarHBondContact OG-OG 3.27Å; S337-F339 VanDerWaalsContact C-N 3.35Å; S337-F339 PolarHBondContact O-N 3.33Å; S337-K340 WeakPolarHBondContact O-CB 3.31Å; S337-K340 PolarHBondContact O-N 2.86Å; S337-T341 PolarHBondContact O-N 3.29Å; S337-T341 PolarHBondContact O-OG1 2.71Å
338	E	96	Very high	94.1	Very high	103 Å²	103	47.2 Å²	47.2	48%	0.481	26%	0.258	S	S	.	.	H	α-helix	trans	-70.2	-36.4	-178.1	-53.7	-36.5	112.8	0	0	111.6	T341 Q342	E338-T341 WeakPolarHBondContact O-CB 3.36Å; E338-T341 PolarHBondContact O-N 2.88Å; E338-Q342 WeakPolarHBondContact O-CG 3.22Å; E338-Q342 PolarHBondContact O-N 3.38Å; E338-Q342 VanDerWaalsContact O-N 3.13Å; E338-Q342 PolarHBondContact O-NE2 2.75Å
339	F	97.3	Very high	94.1	Very high	3 Å²	3	53.1 Å²	53.1	1%	0.013	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-45.9	169.3	170.9	-94.4	0	0	0	111.9	M278 L282 L314 E317 F318 L321 S337 T341 Q342 I343 F361 L365	M278-F339 HydrophobicContact CG-CE1 4.03Å; M278-F339 HydrophobicContact SD-CD1 4.06Å; M278-F339 HydrophobicContact SD-CE1 3.87Å; L282-F339 HydrophobicContact CD1-CD1 3.97Å; L282-F339 HydrophobicContact CD1-CE1 3.85Å; L282-F339 HydrophobicContact CD2-CD1 4.26Å; L282-F339 HydrophobicContact CD2-CE1 3.78Å; L282-F339 HydrophobicContact CD2-CE2 4.32Å; L282-F339 HydrophobicContact CD2-CZ 3.81Å; L282-F339 HydrophobicContact CG-CE1 4.18Å; L314-F339 HydrophobicContact CD1-CD2 4.13Å; L314-F339 HydrophobicContact CD1-CE2 3.7Å; L314-F339 HydrophobicContact CD1-CZ 4.46Å; E317-F339 HydrophobicContact CB-CB 4.43Å; F318-F339 HydrophobicContact CB-CD2 4.1Å; F318-F339 HydrophobicContact CB-CE2 4.06Å; F318-F339 HydrophobicContact CD2-CE2 4.03Å; L321-F339 HydrophobicContact CD2-CB 3.94Å; L321-F339 HydrophobicContact CD2-CD1 4.21Å; L321-F339 HydrophobicContact CD2-CG 3.99Å; S337-F339 VanDerWaalsContact C-N 3.35Å; S337-F339 PolarHBondContact O-N 3.33Å; F339-T341 VanDerWaalsContact C-N 3.25Å; F339-T341 PolarHBondContact O-N 2.85Å; F339-Q342 PolarHBondContact O-N 2.8Å; F339-Q342 VanDerWaalsContact O-N 3.08Å; F339-I343 HydrophobicContact CD1-CG2 4.5Å; F339-I343 HydrophobicContact CE1-CB 4.45Å; F339-I343 HydrophobicContact CE1-CG2 4.01Å; F339-I343 HydrophobicContact CZ-CB 4.2Å; F339-I343 HydrophobicContact CZ-CG2 4.26Å; F339-I343 WeakPolarHBondContact O-CG2 3.48Å; F339-I343 PolarHBondContact O-N 3.19Å; F339-F361 AromaticContact CE1-CZ 3.97Å; F339-F361 HydrophobicContact CE1-CZ 3.97Å; F339-F361 HydrophobicContact CZ-CZ 4.05Å; F339-L365 HydrophobicContact CE2-CD1 3.73Å; F339-L365 HydrophobicContact CZ-CD1 3.63Å; F339-L365 HydrophobicContact CZ-CD2 4Å; F339-L365 HydrophobicContact CZ-CG 4.47Å
340	K	96.5	Very high	94.2	Very high	19 Å²	19	51.7 Å²	51.7	8%	0.083	27%	0.265	C	S	.	.	H	α-helix	trans	-56.3	-41.6	174.9	-176	174.3	-175.7	-75	0	110.9	L272 T275 M278 P336 S337 Q342 Q344 G352	L272-K340 HydrophobicContact CB-CD 4.06Å; L272-K340 HydrophobicContact CD1-CB 4.3Å; L272-K340 HydrophobicContact CD1-CD 3.81Å; T275-K340 HydrophobicContact CG2-CD 4.05Å; M278-K340 HydrophobicContact CE-CB 4.29Å; M278-K340 HydrophobicContact SD-CB 4.24Å; M278-K340 HydrophobicContact SD-CG 4.4Å; P336-K340 WeakPolarHBondContact O-CB 3.29Å; P336-K340 PolarHBondContact O-N 3.31Å; S337-K340 WeakPolarHBondContact O-CB 3.31Å; S337-K340 PolarHBondContact O-N 2.86Å; K340-Q342 PolarHBondContact O-N 2.88Å; K340-Q344 HydrophobicContact CG-CG 4.34Å; K340-Q344 VanDerWaalsContact O-CB 3.25Å; K340-Q344 WeakPolarHBondContact O-CB 3.48Å; K340-Q344 WeakPolarHBondContact O-CG 3.35Å; K340-Q344 PolarHBondContact O-N 3.42Å; K340-G352 PolarHBondContact NZ-O 3.28Å
341	T	95.5	Very high	94.4	Very high	52 Å²	52	52.8 Å²	52.8	32%	0.319	27%	0.27	S	S	.	.	H	α-helix	trans	-59.9	-43.3	175.1	-60.6	0	0	0	0	112.3	S337 E338 F339 R345	S337-T341 PolarHBondContact O-N 3.29Å; S337-T341 PolarHBondContact O-OG1 2.71Å; E338-T341 WeakPolarHBondContact O-CB 3.36Å; E338-T341 PolarHBondContact O-N 2.88Å; F339-T341 VanDerWaalsContact C-N 3.25Å; F339-T341 PolarHBondContact O-N 2.85Å; T341-R345 WeakPolarHBondContact O-CG 3.47Å; T341-R345 PolarHBondContact O-N 3.12Å
342	Q	95.1	Very high	94.7	Very high	13 Å²	13	48.9 Å²	48.9	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-73.6	-43.8	180	-48	-36.7	-43.9	0	0	113.1	T312 L314 E317 E338 F339 K340 Q344 R345 Y346	T312-Q342 PolarHBondContact O-OE1 2.88Å; T312-Q342 PolarHBondContact OG1-NE2 2.84Å; T312-Q342 PolarHBondContact OG1-OE1 3.22Å; L314-Q342 HydrophobicContact CB-CB 4.36Å; L314-Q342 HydrophobicContact CD1-CB 3.99Å; E317-Q342 HydrophobicContact CB-CG 3.92Å; E317-Q342 HydrophobicContact CG-CG 3.49Å; E317-Q342 VanDerWaalsContact CG-CG 3.49Å; E338-Q342 WeakPolarHBondContact O-CG 3.22Å; E338-Q342 PolarHBondContact O-N 3.38Å; E338-Q342 VanDerWaalsContact O-N 3.13Å; E338-Q342 PolarHBondContact O-NE2 2.75Å; F339-Q342 PolarHBondContact O-N 2.8Å; F339-Q342 VanDerWaalsContact O-N 3.08Å; K340-Q342 PolarHBondContact O-N 2.88Å; Q342-Q344 PolarHBondContact O-N 3.09Å; Q342-R345 WeakPolarHBondContact O-CA 3.32Å; Q342-R345 WeakPolarHBondContact O-CB 3.45Å; Q342-R345 PolarHBondContact O-N 3.04Å; Q342-Y346 PolarHBondContact O-N 3.37Å
343	I	94.6	Very high	94.6	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-67.5	-27.6	179.5	-166.6	56.8	0	0	0	111.8	L314 F339 Y346 A347 F350 F361 L365	L314-I343 HydrophobicContact CD1-CB 3.87Å; L314-I343 HydrophobicContact CD1-CD1 4.12Å; L314-I343 HydrophobicContact CD2-CD1 3.79Å; F339-I343 HydrophobicContact CD1-CG2 4.5Å; F339-I343 HydrophobicContact CE1-CB 4.45Å; F339-I343 HydrophobicContact CE1-CG2 4.01Å; F339-I343 HydrophobicContact CZ-CB 4.2Å; F339-I343 HydrophobicContact CZ-CG2 4.26Å; F339-I343 WeakPolarHBondContact O-CG2 3.48Å; F339-I343 PolarHBondContact O-N 3.19Å; I343-Y346 HydrophobicContact CD1-CD1 4.31Å; I343-A347 PolarHBondContact O-N 2.91Å; I343-F350 HydrophobicContact CG1-CD2 4.32Å; I343-F361 HydrophobicContact CG1-CE2 3.71Å; I343-F361 HydrophobicContact CG1-CZ 4.29Å; I343-F361 HydrophobicContact CG2-CE2 4.13Å; I343-L365 HydrophobicContact CD1-CB 4.48Å; I343-L365 HydrophobicContact CD1-CD1 4.19Å
344	Q	94.6	Very high	94.4	Very high	35 Å²	35	55.9 Å²	55.9	16%	0.164	28%	0.28	C	S	.	.	H	α-helix	trans	-72.9	-25.4	170.2	-73.2	-175.6	-29.4	0	0	113.5	K340 Q342 P348 F350 V351 G352	K340-Q344 HydrophobicContact CG-CG 4.34Å; K340-Q344 VanDerWaalsContact O-CB 3.25Å; K340-Q344 WeakPolarHBondContact O-CB 3.48Å; K340-Q344 WeakPolarHBondContact O-CG 3.35Å; K340-Q344 PolarHBondContact O-N 3.42Å; Q342-Q344 PolarHBondContact O-N 3.09Å; Q344-P348 WeakPolarHBondContact O-CA 3.02Å; Q344-F350 HydrophobicContact CG-CB 4.24Å; Q344-F350 PolarHBondContact NE2-O 2.93Å; Q344-V351 HydrophobicContact CB-CG2 4.07Å; Q344-V351 HydrophobicContact CG-CG2 4.47Å; Q344-G352 PolarHBondContact NE2-O 3.35Å
345	R	91.9	Very high	94.1	Very high	139 Å²	139	58.6 Å²	58.6	53%	0.525	29%	0.292	S	S	.	.	H	α-helix	trans	-75.4	-43.9	169.8	-71.7	163.5	174.2	-177.1	-5.1	111.6	T312 T341 Q342	T312-R345 PolarHBondContact OG1-NH1 2.7Å; T341-R345 WeakPolarHBondContact O-CG 3.47Å; T341-R345 PolarHBondContact O-N 3.12Å; Q342-R345 WeakPolarHBondContact O-CA 3.32Å; Q342-R345 WeakPolarHBondContact O-CB 3.45Å; Q342-R345 PolarHBondContact O-N 3.04Å
346	Y	90.7	Very high	93.9	Very high	67 Å²	67	57.6 Å²	57.6	26%	0.263	28%	0.282	S	S	.	.	H	α-helix	trans	-66.6	-46.3	178.4	-175.1	-96.1	0	0	0	112.2	L314 Q342 I343 D367 G368 N371	L314-Y346 HydrophobicContact CD2-CD1 4.47Å; L314-Y346 HydrophobicContact CD2-CG 4.2Å; Q342-Y346 PolarHBondContact O-N 3.37Å; I343-Y346 HydrophobicContact CD1-CD1 4.31Å; Y346-D367 PolarHBondContact OH-OD2 3.09Å; Y346-G368 VanDerWaalsContact CE1-CA 3.46Å; Y346-N371 PolarHBondContact OH-ND2 2.96Å
347	A	92.8	Very high	93.8	Very high	5 Å²	5	59.2 Å²	59.2	4%	0.041	29%	0.29	C	S	.	.			trans	-125.7	86.9	-179.3	0	0	0	0	0	110.8	I343 R349 F350 F364	I343-A347 PolarHBondContact O-N 2.91Å; A347-R349 PolarHBondContact O-N 2.95Å; A347-F350 HydrophobicContact CB-CD2 3.64Å; A347-F350 HydrophobicContact CB-CE2 3.61Å; A347-F350 PolarHBondContact O-N 2.9Å; A347-F364 HydrophobicContact CB-CB 4.19Å; A347-F364 HydrophobicContact CB-CD1 3.8Å; A347-F364 HydrophobicContact CB-CE1 4.39Å; A347-F364 HydrophobicContact CB-CG 4.06Å
348	P	92.3	Very high	93.8	Very high	90 Å²	90	57.3 Å²	57.3	58%	0.584	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-56	-17.3	-177.8	-30.1	37.2	0	0	0	116	Q344 F350 V351	Q344-P348 WeakPolarHBondContact O-CA 3.02Å; P348-F350 PolarHBondContact O-N 2.77Å; P348-V351 HydrophobicContact CB-CG2 4.45Å; P348-V351 VanDerWaalsContact O-CB 3.29Å; P348-V351 WeakPolarHBondContact O-CB 3.5Å; P348-V351 VanDerWaalsContact O-CG2 3.22Å; P348-V351 WeakPolarHBondContact O-CG2 3.42Å; P348-V351 PolarHBondContact O-N 3.22Å; P348-V351 VanDerWaalsContact O-N 3.09Å
349	R	92	Very high	93.9	Very high	151 Å²	151	53.6 Å²	53.6	57%	0.57	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-53.9	-31.3	171.3	179.2	173.5	-67.8	-148.8	-1.1	113	A347 V351 Q356 E360	A347-R349 PolarHBondContact O-N 2.95Å; R349-V351 VanDerWaalsContact C-N 3.33Å; R349-Q356 PolarHBondContact O-NE2 2.87Å; R349-Q356 VanDerWaalsContact O-NE2 3.1Å; R349-E360 VanDerWaalsContact CD-OE2 3.31Å; R349-E360 WeakPolarHBondContact CD-OE2 3.48Å; R349-E360 IonicContact CZ-OE1 3.7Å; R349-E360 IonicContact NE-OE1 3.89Å; R349-E360 VanDerWaalsContact NH1-CD 3.32Å; R349-E360 IonicContact NH1-OE1 3.16Å; R349-E360 PolarHBondContact NH1-OE1 2.82Å; R349-E360 IonicContact NH1-OE2 3.39Å; R349-E360 PolarHBondContact NH1-OE2 2.7Å; R349-E360 VanDerWaalsContact NH1-OE2 3.16Å
350	F	92.9	Very high	93.8	Very high	10 Å²	10	55.9 Å²	55.9	4%	0.044	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-85.6	-0.4	-178.7	-55.2	-52.6	0	0	0	114.2	F277 I343 Q344 A347 P348 Q356 E360 F361 F364	F277-F350 HydrophobicContact CE2-CD1 4.46Å; I343-F350 HydrophobicContact CG1-CD2 4.32Å; Q344-F350 HydrophobicContact CG-CB 4.24Å; Q344-F350 PolarHBondContact NE2-O 2.93Å; A347-F350 HydrophobicContact CB-CD2 3.64Å; A347-F350 HydrophobicContact CB-CE2 3.61Å; A347-F350 PolarHBondContact O-N 2.9Å; P348-F350 PolarHBondContact O-N 2.77Å; F350-Q356 HydrophobicContact CD1-CB 4.37Å; F350-Q356 HydrophobicContact CD1-CG 3.97Å; F350-Q356 HydrophobicContact CE1-CB 4.49Å; F350-E360 HydrophobicContact CE1-CG 4.43Å; F350-E360 HydrophobicContact CZ-CG 4.23Å; F350-F361 HydrophobicContact CD1-CD2 4.38Å; F350-F361 HydrophobicContact CD2-CD2 4.11Å; F350-F361 HydrophobicContact CE1-CB 4.23Å; F350-F361 HydrophobicContact CE1-CD2 4.23Å; F350-F361 AromaticContact CE2-CD2 3.94Å; F350-F361 HydrophobicContact CE2-CD2 3.94Å; F350-F361 HydrophobicContact CG-CD2 4.34Å; F350-F361 HydrophobicContact CZ-CB 4.15Å; F350-F361 HydrophobicContact CZ-CD2 4.01Å; F350-F364 HydrophobicContact CE2-CB 3.67Å; F350-F364 HydrophobicContact CE2-CD2 4.05Å; F350-F364 AromaticContact CE2-CG 3.99Å; F350-F364 HydrophobicContact CE2-CG 3.99Å; F350-F364 HydrophobicContact CZ-CB 4.05Å; F350-F364 AromaticContact CZ-CD2 3.76Å; F350-F364 HydrophobicContact CZ-CD2 3.76Å; F350-F364 HydrophobicContact CZ-CG 4.17Å
351	V	91.8	Very high	93.9	Very high	83 Å²	83	55 Å²	55	50%	0.503	27%	0.266	S	S	.	.			trans	-56.9	146.9	179.7	169.9	0	0	0	0	111.7	Q344 P348 R349	Q344-V351 HydrophobicContact CB-CG2 4.07Å; Q344-V351 HydrophobicContact CG-CG2 4.47Å; P348-V351 HydrophobicContact CB-CG2 4.45Å; P348-V351 VanDerWaalsContact O-CB 3.29Å; P348-V351 WeakPolarHBondContact O-CB 3.5Å; P348-V351 VanDerWaalsContact O-CG2 3.22Å; P348-V351 WeakPolarHBondContact O-CG2 3.42Å; P348-V351 PolarHBondContact O-N 3.22Å; P348-V351 VanDerWaalsContact O-N 3.09Å; R349-V351 VanDerWaalsContact C-N 3.33Å
352	G	92	Very high	94.1	Very high	26 Å²	26	52.7 Å²	52.7	27%	0.268	25%	0.252	S	S	.	.	S	Bend	trans	83.3	-139.7	-177	0	0	0	0	0	113.7	K340 Q344	K340-G352 PolarHBondContact NZ-O 3.28Å; Q344-G352 PolarHBondContact NE2-O 3.35Å
353	Y	93.1	Very high	94.2	Very high	151 Å²	151	54.7 Å²	54.7	59%	0.592	26%	0.259	S	S	*	.	S	Bend	trans	-145.8	27.7	-165.2	-53.4	-76.1	0	0	0	112.9	L272 N274	L272-Y353 WeakPolarHBondContact O-CD1 3.35Å; L272-Y353 VanDerWaalsContact O-CE1 3.23Å; L272-Y353 WeakPolarHBondContact O-CE1 3.49Å; N274-Y353 WeakPolarHBondContact CB-O 3.49Å; N274-Y353 PolarHBondContact ND2-O 3.28Å
354	N	92.1	Very high	94.3	Very high	116 Å²	116	56.4 Å²	56.4	62%	0.62	27%	0.266	S	S	*	.			trans	-78.6	155.5	174.2	-67.6	-16.6	0	0	0	110.3
355	Q	91.6	Very high	94.5	Very high	72 Å²	72	54.7 Å²	54.7	34%	0.336	26%	0.258	S	S	.	.			trans	-69.4	149	164.4	-64.9	-161.9	-5.2	0	0	110	N274 G556	N274-Q355 HydrophobicContact CB-CG 3.78Å; N274-Q355 WeakPolarHBondContact OD1-CG 3.27Å; N274-Q355 PolarHBondContact OD1-NE2 3.37Å; N274-Q355 VanDerWaalsContact OD1-NE2 3.1Å; Q355-G556 PolarHBondContact NE2-O 3.39Å; Q355-G556 PolarHBondContact OE1-O 3.26Å
356	Q	94.3	Very high	94.7	Very high	33 Å²	33	48.3 Å²	48.3	15%	0.154	23%	0.234	C	C	.	.			trans	-140.6	164.5	-173	-59.1	-74.6	-1.7	0	0	109.5	F277 R349 F350 Y558	F277-Q356 HydrophobicContact CD1-CB 3.94Å; F277-Q356 HydrophobicContact CD1-CG 4.44Å; F277-Q356 HydrophobicContact CD2-CB 3.89Å; F277-Q356 HydrophobicContact CE1-CB 3.75Å; F277-Q356 HydrophobicContact CE1-CG 3.77Å; F277-Q356 HydrophobicContact CE2-CB 3.7Å; F277-Q356 HydrophobicContact CE2-CG 4.07Å; F277-Q356 HydrophobicContact CG-CB 4.03Å; F277-Q356 HydrophobicContact CZ-CB 3.64Å; F277-Q356 HydrophobicContact CZ-CG 3.57Å; R349-Q356 PolarHBondContact O-NE2 2.87Å; R349-Q356 VanDerWaalsContact O-NE2 3.1Å; F350-Q356 HydrophobicContact CD1-CB 4.37Å; F350-Q356 HydrophobicContact CD1-CG 3.97Å; F350-Q356 HydrophobicContact CE1-CB 4.49Å; Q356-Y558 PolarHBondContact O-OH 3.02Å
357	D	95.3	Very high	94.9	Very high	34 Å²	34	47.1 Å²	47.1	18%	0.182	23%	0.233	C	C	.	.			trans	-80.3	135	174.4	-176.3	-94.3	0	0	0	112.3	Q359 E360 F361 F505 Y592	D357-Q359 VanDerWaalsContact OD1-CA 3.29Å; D357-Q359 WeakPolarHBondContact OD1-CA 3.34Å; D357-Q359 WeakPolarHBondContact OD1-CB 3.4Å; D357-Q359 PolarHBondContact OD1-N 3.05Å; D357-E360 HydrophobicContact CB-CB 4.07Å; D357-E360 PolarHBondContact OD1-N 3.34Å; D357-F361 WeakPolarHBondContact O-CB 3.33Å; D357-F361 PolarHBondContact O-N 2.9Å; D357-F505 WeakPolarHBondContact OD2-CE2 3.32Å; D357-Y592 PolarHBondContact OD2-OH 3.44Å
358	A	97.4	Very high	95	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-75.7	-26.9	-178.3	0	0	0	0	0	113.9	F277 I281 L362 Y558 Y592 L593	F277-A358 HydrophobicContact CB-CB 4.27Å; I281-A358 HydrophobicContact CD1-CB 4.15Å; I281-A358 WeakPolarHBondContact CD1-O 3.49Å; I281-A358 HydrophobicContact CG1-CB 4.06Å; A358-L362 VanDerWaalsContact O-CB 3.3Å; A358-L362 WeakPolarHBondContact O-CB 3.36Å; A358-L362 PolarHBondContact O-N 2.89Å; A358-Y558 HydrophobicContact CB-CD1 3.83Å; A358-Y558 HydrophobicContact CB-CE1 3.36Å; A358-Y558 PolarHBondContact N-OH 2.88Å; A358-Y592 HydrophobicContact CB-CD1 4.46Å; A358-Y592 HydrophobicContact CB-CE1 4.36Å; A358-L593 HydrophobicContact CB-CD1 4.25Å
359	Q	97.4	Very high	95.2	Very high	26 Å²	26	42.6 Å²	42.6	12%	0.121	20%	0.203	C	C	.	.	H	α-helix	trans	-72.1	-44.2	172.6	-167.6	-139.2	-7.2	0	0	110.2	D357 L362 R363 D440 S442 H501 Y592 L593	D357-Q359 VanDerWaalsContact OD1-CA 3.29Å; D357-Q359 WeakPolarHBondContact OD1-CA 3.34Å; D357-Q359 WeakPolarHBondContact OD1-CB 3.4Å; D357-Q359 PolarHBondContact OD1-N 3.05Å; Q359-L362 PolarHBondContact O-N 3.24Å; Q359-R363 VanDerWaalsContact O-CG 3.27Å; Q359-R363 WeakPolarHBondContact O-CG 3.43Å; Q359-R363 PolarHBondContact O-N 3.34Å; Q359-D440 PolarHBondContact NE2-OD1 2.8Å; Q359-D440 PolarHBondContact NE2-OD2 2.85Å; Q359-S442 PolarHBondContact NE2-OG 3.42Å; Q359-H501 HydrophobicContact CG-CB 4.19Å; Q359-H501 PolarHBondContact NE2-ND1 3.39Å; Q359-H501 PolarHBondContact OE1-CE1 2.85Å; Q359-H501 PolarHBondContact OE1-ND1 3.4Å; Q359-Y592 HydrophobicContact CB-CE1 4.4Å; Q359-L593 HydrophobicContact CB-CD2 4.02Å; Q359-L593 HydrophobicContact CG-CD2 4.1Å
360	E	96.4	Very high	95.4	Very high	50 Å²	50	35.6 Å²	35.6	23%	0.234	18%	0.177	C	C	.	.	H	α-helix	trans	-59.2	-48.6	174.9	178.7	161	-128.5	0	0	110.8	R349 F350 D357 L362 R363 F364	R349-E360 VanDerWaalsContact CD-OE2 3.31Å; R349-E360 WeakPolarHBondContact CD-OE2 3.48Å; R349-E360 IonicContact CZ-OE1 3.7Å; R349-E360 IonicContact NE-OE1 3.89Å; R349-E360 VanDerWaalsContact NH1-CD 3.32Å; R349-E360 IonicContact NH1-OE1 3.16Å; R349-E360 PolarHBondContact NH1-OE1 2.82Å; R349-E360 IonicContact NH1-OE2 3.39Å; R349-E360 PolarHBondContact NH1-OE2 2.7Å; R349-E360 VanDerWaalsContact NH1-OE2 3.16Å; F350-E360 HydrophobicContact CE1-CG 4.43Å; F350-E360 HydrophobicContact CZ-CG 4.23Å; D357-E360 HydrophobicContact CB-CB 4.07Å; D357-E360 PolarHBondContact OD1-N 3.34Å; E360-L362 PolarHBondContact O-N 3.33Å; E360-R363 PolarHBondContact O-N 3.1Å; E360-F364 HydrophobicContact CG-CD2 3.73Å; E360-F364 HydrophobicContact CG-CE2 3.77Å; E360-F364 WeakPolarHBondContact O-CD2 3.38Å; E360-F364 PolarHBondContact O-N 3.25Å
361	F	98.3	Very high	95.4	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-58.3	-45.5	176.1	178.8	-98.9	0	0	0	112.9	F277 M278 I281 F339 I343 F350 D357 R363 F364 L365	F277-F361 HydrophobicContact CD2-CB 3.72Å; F277-F361 HydrophobicContact CD2-CD1 4.35Å; F277-F361 HydrophobicContact CD2-CD2 4.17Å; F277-F361 AromaticContact CD2-CG 3.8Å; F277-F361 HydrophobicContact CD2-CG 3.8Å; F277-F361 HydrophobicContact CE2-CB 3.93Å; F277-F361 AromaticContact CE2-CD2 3.63Å; F277-F361 HydrophobicContact CE2-CD2 3.63Å; F277-F361 HydrophobicContact CE2-CE2 4.34Å; F277-F361 AromaticContact CE2-CG 3.76Å; F277-F361 HydrophobicContact CE2-CG 3.76Å; M278-F361 HydrophobicContact CB-CD1 4.49Å; M278-F361 HydrophobicContact CB-CE1 4.09Å; M278-F361 HydrophobicContact CB-CE2 4.31Å; M278-F361 HydrophobicContact CB-CZ 4.02Å; M278-F361 HydrophobicContact CG-CE1 3.91Å; M278-F361 HydrophobicContact CG-CE2 4.09Å; M278-F361 HydrophobicContact CG-CZ 3.54Å; M278-F361 HydrophobicContact SD-CZ 4.41Å; I281-F361 HydrophobicContact CB-CD1 3.83Å; I281-F361 HydrophobicContact CB-CE1 4.02Å; I281-F361 HydrophobicContact CG1-CD1 3.99Å; I281-F361 HydrophobicContact CG2-CD1 3.86Å; I281-F361 HydrophobicContact CG2-CE1 3.89Å; F339-F361 AromaticContact CE1-CZ 3.97Å; F339-F361 HydrophobicContact CE1-CZ 3.97Å; F339-F361 HydrophobicContact CZ-CZ 4.05Å; I343-F361 HydrophobicContact CG1-CE2 3.71Å; I343-F361 HydrophobicContact CG1-CZ 4.29Å; I343-F361 HydrophobicContact CG2-CE2 4.13Å; F350-F361 HydrophobicContact CD1-CD2 4.38Å; F350-F361 HydrophobicContact CD2-CD2 4.11Å; F350-F361 HydrophobicContact CE1-CB 4.23Å; F350-F361 HydrophobicContact CE1-CD2 4.23Å; F350-F361 AromaticContact CE2-CD2 3.94Å; F350-F361 HydrophobicContact CE2-CD2 3.94Å; F350-F361 HydrophobicContact CG-CD2 4.34Å; F350-F361 HydrophobicContact CZ-CB 4.15Å; F350-F361 HydrophobicContact CZ-CD2 4.01Å; D357-F361 WeakPolarHBondContact O-CB 3.33Å; D357-F361 PolarHBondContact O-N 2.9Å; F361-R363 VanDerWaalsContact C-N 3.32Å; F361-R363 PolarHBondContact O-N 3.05Å; F361-F364 PolarHBondContact O-N 3.49Å; F361-L365 HydrophobicContact CE1-CB 4.43Å; F361-L365 HydrophobicContact CE1-CD2 3.78Å; F361-L365 HydrophobicContact CZ-CB 4.46Å; F361-L365 HydrophobicContact CZ-CD2 4.01Å; F361-L365 VanDerWaalsContact O-CB 3.28Å; F361-L365 WeakPolarHBondContact O-CB 3.31Å; F361-L365 PolarHBondContact O-N 2.95Å
362	L	98.6	Very high	95.4	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.016	17%	0.172	C	C	.	.	H	α-helix	trans	-58.5	-42.8	175.9	175.5	65	0	0	0	112.1	I281 L285 A358 Q359 E360 L365 L366 V499 L593 F595	I281-L362 HydrophobicContact CD1-CB 4.02Å; I281-L362 HydrophobicContact CD1-CD2 4.48Å; I281-L362 HydrophobicContact CG1-CB 4.37Å; I281-L362 HydrophobicContact CG2-CB 4.14Å; I281-L362 HydrophobicContact CG2-CD1 3.79Å; L285-L362 HydrophobicContact CD1-CD1 4.08Å; L285-L362 HydrophobicContact CD2-CD1 4.06Å; L285-L362 HydrophobicContact CG-CD1 4.29Å; A358-L362 VanDerWaalsContact O-CB 3.3Å; A358-L362 WeakPolarHBondContact O-CB 3.36Å; A358-L362 PolarHBondContact O-N 2.89Å; Q359-L362 PolarHBondContact O-N 3.24Å; E360-L362 PolarHBondContact O-N 3.33Å; L362-L365 PolarHBondContact O-N 3.08Å; L362-L366 HydrophobicContact CD1-CD1 3.82Å; L362-L366 HydrophobicContact CD1-CD2 4.49Å; L362-L366 HydrophobicContact CD1-CG 3.88Å; L362-L366 HydrophobicContact CG-CD1 4.02Å; L362-L366 HydrophobicContact CG-CG 4.39Å; L362-L366 WeakPolarHBondContact O-CB 3.43Å; L362-L366 WeakPolarHBondContact O-CG 3.46Å; L362-L366 PolarHBondContact O-N 2.96Å; L362-V499 HydrophobicContact CD2-CG1 3.77Å; L362-V499 HydrophobicContact CD2-CG2 4.39Å; L362-L593 HydrophobicContact CD2-CD1 4.3Å; L362-F595 HydrophobicContact CD1-CE1 4.31Å; L362-F595 HydrophobicContact CD1-CZ 4.34Å; L362-F595 HydrophobicContact CD2-CE1 4.08Å; L362-F595 HydrophobicContact CD2-CZ 3.83Å
363	R	97.1	Very high	95.5	Very high	56 Å²	56	34.1 Å²	34.1	21%	0.211	16%	0.159	C	C	.	.	H	α-helix	trans	-65.9	-46.9	-178.5	-72.3	164.8	67.2	89	1.8	111.8	R10 Y11 Q359 E360 F361 L365 D367 D440	R10-R363 PolarHBondContact O-NH2 3.07Å; Y11-R363 VanDerWaalsContact CD1-NH2 3.28Å; Y11-R363 VanDerWaalsContact CE1-NH2 3.33Å; Q359-R363 VanDerWaalsContact O-CG 3.27Å; Q359-R363 WeakPolarHBondContact O-CG 3.43Å; Q359-R363 PolarHBondContact O-N 3.34Å; E360-R363 PolarHBondContact O-N 3.1Å; F361-R363 VanDerWaalsContact C-N 3.32Å; F361-R363 PolarHBondContact O-N 3.05Å; R363-L365 VanDerWaalsContact C-N 3.34Å; R363-D367 VanDerWaalsContact O-CB 3.24Å; R363-D367 WeakPolarHBondContact O-CB 3.38Å; R363-D367 PolarHBondContact O-N 3.06Å; R363-D440 WeakPolarHBondContact CD-OD1 3.42Å; R363-D440 IonicContact CZ-OD1 2.69Å; R363-D440 IonicContact NH1-OD1 2.65Å; R363-D440 PolarHBondContact NH1-OD1 2.77Å
364	F	97.6	Very high	95.5	Very high	36 Å²	36	27.1 Å²	27.1	16%	0.158	13%	0.132	C	C	.	.	H	α-helix	trans	-65.7	-35.2	175.2	-84	-75.7	0	0	0	112.8	A347 F350 E360 F361 G368	A347-F364 HydrophobicContact CB-CB 4.19Å; A347-F364 HydrophobicContact CB-CD1 3.8Å; A347-F364 HydrophobicContact CB-CE1 4.39Å; A347-F364 HydrophobicContact CB-CG 4.06Å; F350-F364 HydrophobicContact CE2-CB 3.67Å; F350-F364 HydrophobicContact CE2-CD2 4.05Å; F350-F364 AromaticContact CE2-CG 3.99Å; F350-F364 HydrophobicContact CE2-CG 3.99Å; F350-F364 HydrophobicContact CZ-CB 4.05Å; F350-F364 AromaticContact CZ-CD2 3.76Å; F350-F364 HydrophobicContact CZ-CD2 3.76Å; F350-F364 HydrophobicContact CZ-CG 4.17Å; E360-F364 HydrophobicContact CG-CD2 3.73Å; E360-F364 HydrophobicContact CG-CE2 3.77Å; E360-F364 WeakPolarHBondContact O-CD2 3.38Å; E360-F364 PolarHBondContact O-N 3.25Å; F361-F364 PolarHBondContact O-N 3.49Å; F364-G368 PolarHBondContact O-N 3Å
365	L	98.2	Very high	95.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-67.7	-49.4	175.9	179.3	56.2	0	0	0	111.7	I281 L282 L285 L314 F339 I343 F361 L362 R363 D367 G368 L369	I281-L365 HydrophobicContact CG2-CD2 4.29Å; L282-L365 HydrophobicContact CD2-CD2 4.4Å; L285-L365 HydrophobicContact CD1-CD2 3.58Å; L285-L365 HydrophobicContact CD1-CG 4.32Å; L314-L365 HydrophobicContact CD1-CD1 4.35Å; L314-L365 HydrophobicContact CD2-CD1 4.32Å; F339-L365 HydrophobicContact CE2-CD1 3.73Å; F339-L365 HydrophobicContact CZ-CD1 3.63Å; F339-L365 HydrophobicContact CZ-CD2 4Å; F339-L365 HydrophobicContact CZ-CG 4.47Å; I343-L365 HydrophobicContact CD1-CB 4.48Å; I343-L365 HydrophobicContact CD1-CD1 4.19Å; F361-L365 HydrophobicContact CE1-CB 4.43Å; F361-L365 HydrophobicContact CE1-CD2 3.78Å; F361-L365 HydrophobicContact CZ-CB 4.46Å; F361-L365 HydrophobicContact CZ-CD2 4.01Å; F361-L365 VanDerWaalsContact O-CB 3.28Å; F361-L365 WeakPolarHBondContact O-CB 3.31Å; F361-L365 PolarHBondContact O-N 2.95Å; L362-L365 PolarHBondContact O-N 3.08Å; R363-L365 VanDerWaalsContact C-N 3.34Å; L365-D367 VanDerWaalsContact C-N 3.32Å; L365-D367 PolarHBondContact O-N 3.28Å; L365-G368 PolarHBondContact O-N 3.15Å; L365-L369 HydrophobicContact CD1-CD1 3.82Å; L365-L369 HydrophobicContact CD1-CD2 4.25Å; L365-L369 HydrophobicContact CD1-CG 3.84Å; L365-L369 HydrophobicContact CG-CD1 3.92Å; L365-L369 HydrophobicContact CG-CG 4.36Å; L365-L369 WeakPolarHBondContact O-CB 3.3Å; L365-L369 VanDerWaalsContact O-CG 3.23Å; L365-L369 WeakPolarHBondContact O-CG 3.27Å; L365-L369 PolarHBondContact O-N 2.73Å
366	L	97.9	Very high	95.4	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.021	11%	0.111	C	C	.	.	H	α-helix	trans	-62.2	-39.3	178.1	-70.9	177.9	0	0	0	112	L285 L362 H370 I411 F415 W439	L285-L366 HydrophobicContact CD2-CD2 4.22Å; L362-L366 HydrophobicContact CD1-CD1 3.82Å; L362-L366 HydrophobicContact CD1-CD2 4.49Å; L362-L366 HydrophobicContact CD1-CG 3.88Å; L362-L366 HydrophobicContact CG-CD1 4.02Å; L362-L366 HydrophobicContact CG-CG 4.39Å; L362-L366 WeakPolarHBondContact O-CB 3.43Å; L362-L366 WeakPolarHBondContact O-CG 3.46Å; L362-L366 PolarHBondContact O-N 2.96Å; L366-H370 WeakPolarHBondContact O-CB 3.48Å; L366-H370 PolarHBondContact O-N 3.18Å; L366-I411 HydrophobicContact CB-CG2 4.49Å; L366-I411 HydrophobicContact CD2-CG2 3.73Å; L366-F415 HydrophobicContact CD1-CB 4.5Å; L366-F415 HydrophobicContact CD1-CD1 4.07Å; L366-F415 HydrophobicContact CD1-CD2 4.5Å; L366-F415 HydrophobicContact CD1-CE1 4.41Å; L366-F415 HydrophobicContact CD1-CG 4.11Å; L366-F415 HydrophobicContact CD2-CD2 3.85Å; L366-F415 HydrophobicContact CD2-CE1 4.46Å; L366-F415 HydrophobicContact CD2-CE2 3.74Å; L366-F415 HydrophobicContact CD2-CG 4.29Å; L366-F415 HydrophobicContact CD2-CZ 4.07Å; L366-W439 HydrophobicContact CB-CE3 4.32Å; L366-W439 HydrophobicContact CD1-CE3 4.43Å
367	D	94.9	Very high	94.9	Very high	43 Å²	43	27 Å²	27	23%	0.23	13%	0.133	C	C	.	.	H	α-helix	trans	-62.3	-46.9	173.9	174.8	64.6	0	0	0	112.1	Y346 R363 L365 H370 N371	Y346-D367 PolarHBondContact OH-OD2 3.09Å; R363-D367 VanDerWaalsContact O-CB 3.24Å; R363-D367 WeakPolarHBondContact O-CB 3.38Å; R363-D367 PolarHBondContact O-N 3.06Å; L365-D367 VanDerWaalsContact C-N 3.32Å; L365-D367 PolarHBondContact O-N 3.28Å; D367-H370 WeakPolarHBondContact O-CB 3.37Å; D367-H370 PolarHBondContact O-N 2.73Å; D367-N371 WeakPolarHBondContact O-CB 3.43Å; D367-N371 PolarHBondContact O-N 3.22Å; D367-N371 PolarHBondContact O-ND2 2.94Å; D367-N371 PolarHBondContact OD1-ND2 3.44Å
368	G	94.6	Very high	94.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.6	-46.4	177.2	0	0	0	0	0	113.7	Y346 F364 L365 H370 N371 E372	Y346-G368 VanDerWaalsContact CE1-CA 3.46Å; F364-G368 PolarHBondContact O-N 3Å; L365-G368 PolarHBondContact O-N 3.15Å; G368-H370 VanDerWaalsContact C-N 3.28Å; G368-H370 PolarHBondContact O-N 3.03Å; G368-N371 PolarHBondContact O-N 3.05Å; G368-E372 PolarHBondContact O-N 3.07Å
369	L	95.9	Very high	94	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-37.8	174.6	-62.1	173.9	0	0	0	111.3	L314 M315 F318 L365 V373 I411	L314-L369 HydrophobicContact CG-CD2 4.1Å; M315-L369 HydrophobicContact CB-CD2 4.07Å; M315-L369 HydrophobicContact SD-CB 4.14Å; M315-L369 HydrophobicContact SD-CD2 3.66Å; M315-L369 HydrophobicContact SD-CG 4.38Å; F318-L369 HydrophobicContact CB-CD2 3.65Å; F318-L369 HydrophobicContact CD1-CD1 3.86Å; F318-L369 HydrophobicContact CD1-CD2 3.85Å; F318-L369 HydrophobicContact CD2-CD1 4.26Å; F318-L369 HydrophobicContact CE1-CD1 3.93Å; F318-L369 HydrophobicContact CE2-CD1 4.32Å; F318-L369 HydrophobicContact CG-CD1 4.03Å; F318-L369 HydrophobicContact CG-CD2 3.77Å; F318-L369 HydrophobicContact CZ-CD1 4.17Å; L365-L369 HydrophobicContact CD1-CD1 3.82Å; L365-L369 HydrophobicContact CD1-CD2 4.25Å; L365-L369 HydrophobicContact CD1-CG 3.84Å; L365-L369 HydrophobicContact CG-CD1 3.92Å; L365-L369 HydrophobicContact CG-CG 4.36Å; L365-L369 WeakPolarHBondContact O-CB 3.3Å; L365-L369 VanDerWaalsContact O-CG 3.23Å; L365-L369 WeakPolarHBondContact O-CG 3.27Å; L365-L369 PolarHBondContact O-N 2.73Å; L369-V373 WeakPolarHBondContact O-CG2 3.46Å; L369-I411 HydrophobicContact CB-CD1 4.22Å; L369-I411 HydrophobicContact CB-CG1 4.02Å
370	H	95.4	Very high	93.5	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.019	19%	0.193	C	C	.	.	H	α-helix	trans	-64.6	-50.6	176.2	167.6	19	0	0	0	112.1	L366 D367 G368 E372 V373 N374 E407 S409 I411 W439	L366-H370 WeakPolarHBondContact O-CB 3.48Å; L366-H370 PolarHBondContact O-N 3.18Å; D367-H370 WeakPolarHBondContact O-CB 3.37Å; D367-H370 PolarHBondContact O-N 2.73Å; G368-H370 VanDerWaalsContact C-N 3.28Å; G368-H370 PolarHBondContact O-N 3.03Å; H370-E372 VanDerWaalsContact C-N 3.3Å; H370-E372 PolarHBondContact O-N 3.07Å; H370-V373 CarbonylContact O-C 3.58Å; H370-V373 PolarHBondContact O-N 2.91Å; H370-N374 WeakPolarHBondContact O-CB 3.45Å; H370-N374 PolarHBondContact O-N 3.06Å; H370-E407 IonicContact CE1-OE2 3.4Å; H370-E407 IonicContact NE2-OE2 2.77Å; H370-E407 PolarHBondContact NE2-OE2 3.45Å; H370-S409 VanDerWaalsContact ND1-CB 3.35Å; H370-S409 WeakPolarHBondContact ND1-CB 3.35Å; H370-S409 PolarHBondContact ND1-OG 3.26Å; H370-I411 HydrophobicContact CB-CB 4.23Å; H370-W439 HydrophobicContact CB-CH2 3.92Å; H370-W439 AromaticContact CD2-CH2 3.4Å; H370-W439 VanDerWaalsContact CD2-CH2 3.4Å; H370-W439 WeakPolarHBondContact CD2-CH2 3.44Å; H370-W439 AromaticContact CD2-CZ2 3.28Å; H370-W439 WeakPolarHBondContact CD2-CZ2 3.49Å; H370-W439 AromaticContact CG-CH2 3.7Å; H370-W439 AromaticContact NE2-CZ2 3.84Å
371	N	92.9	Very high	92.8	Very high	42 Å²	42	46.6 Å²	46.6	23%	0.225	22%	0.224	C	C	.	.	H	α-helix	trans	-64.7	-33.4	-174.1	-77.1	-55.6	0	0	0	112.3	Y346 D367 G368 R379	Y346-N371 PolarHBondContact OH-ND2 2.96Å; D367-N371 WeakPolarHBondContact O-CB 3.43Å; D367-N371 PolarHBondContact O-N 3.22Å; D367-N371 PolarHBondContact O-ND2 2.94Å; D367-N371 PolarHBondContact OD1-ND2 3.44Å; G368-N371 PolarHBondContact O-N 3.05Å; N371-R379 PolarHBondContact OD1-NH2 2.74Å
372	E	92.3	Very high	91.7	Very high	45 Å²	45	51 Å²	51	21%	0.21	26%	0.255	C	S	.	.	H	α-helix	trans	-74.6	-22.6	177.2	-70.5	-174.6	167.6	0	0	114.5	L304 H305 A313 L314 M315 G368 H370	L304-E372 HydrophobicContact CD2-CB 4.22Å; H305-E372 PolarHBondContact N-O 3.05Å; A313-E372 WeakPolarHBondContact CA-OE1 3.46Å; A313-E372 WeakPolarHBondContact CB-OE2 2.98Å; L314-E372 WeakPolarHBondContact CB-OE1 3.42Å; L314-E372 VanDerWaalsContact N-CD 3.28Å; L314-E372 PolarHBondContact N-OE1 2.67Å; L314-E372 PolarHBondContact N-OE2 3.31Å; M315-E372 HydrophobicContact CB-CB 4.38Å; M315-E372 VanDerWaalsContact CB-OE2 3.29Å; M315-E372 WeakPolarHBondContact CB-OE2 3.35Å; M315-E372 PolarHBondContact N-OE2 3Å; G368-E372 PolarHBondContact O-N 3.07Å; H370-E372 VanDerWaalsContact C-N 3.3Å; H370-E372 PolarHBondContact O-N 3.07Å
373	V	93.5	Very high	90.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	27.4	177	-54.9	0	0	0	0	113	D303 L304 M315 L369 H370 R375 S409 I411	D303-V373 HydrophobicContact CB-CB 3.82Å; D303-V373 HydrophobicContact CB-CG1 4.34Å; D303-V373 WeakPolarHBondContact O-CA 3.44Å; L304-V373 HydrophobicContact CD2-CG1 4.05Å; L304-V373 HydrophobicContact CG-CG1 4.17Å; M315-V373 HydrophobicContact CB-CG1 4.39Å; M315-V373 HydrophobicContact CG-CG1 3.75Å; M315-V373 HydrophobicContact SD-CG1 4.38Å; L369-V373 WeakPolarHBondContact O-CG2 3.46Å; H370-V373 CarbonylContact O-C 3.58Å; H370-V373 PolarHBondContact O-N 2.91Å; V373-R375 PolarHBondContact O-N 3.02Å; V373-S409 WeakPolarHBondContact O-CB 3.43Å; V373-I411 HydrophobicContact CG2-CD1 4.42Å; V373-I411 HydrophobicContact CG2-CG1 3.91Å
374	N	93.5	Very high	89.2	Confident	4 Å²	4	60 Å²	60	2%	0.021	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-80.9	111.3	176.7	-175.2	-3.2	0	0	0	110.1	H305 H370 V376 R406 E407 D408	H305-N374 PolarHBondContact CE1-O 2.85Å; H305-N374 PolarHBondContact NE2-O 3.4Å; H370-N374 WeakPolarHBondContact O-CB 3.45Å; H370-N374 PolarHBondContact O-N 3.06Å; N374-V376 PolarHBondContact O-N 3.48Å; N374-V376 WeakPolarHBondContact OD1-CB 3.25Å; N374-V376 PolarHBondContact OD1-N 3.36Å; N374-R406 PolarHBondContact ND2-O 3.47Å; N374-E407 PolarHBondContact ND2-OE2 3.06Å; N374-D408 CarbonylContact C-O 3.57Å; N374-D408 WeakPolarHBondContact CA-O 3.4Å; N374-D408 PolarHBondContact OD1-N 3.43Å; N374-D408 PolarHBondContact OD1-O 2.9Å
375	R	91.9	Very high	88.3	Confident	89 Å²	89	63.6 Å²	63.6	34%	0.336	33%	0.331	S	S	.	.	S	Bend	trans	-59.3	-18.2	-179.4	-59.7	168	-171.6	128.8	5	112.7	D303 V373 T377 D408 D413	D303-R375 IonicContact OD1-NE 3.65Å; D303-R375 IonicContact OD2-CZ 2.97Å; D303-R375 IonicContact OD2-NE 3.63Å; D303-R375 IonicContact OD2-NH2 3.5Å; D303-R375 PolarHBondContact OD2-NH2 2.87Å; V373-R375 PolarHBondContact O-N 3.02Å; R375-T377 PolarHBondContact O-N 3.15Å; R375-D408 HydrophobicContact CB-CB 4.4Å; R375-D408 WeakPolarHBondContact CB-O 3.21Å; R375-D408 IonicContact CZ-OD1 2.74Å; R375-D408 PolarHBondContact N-O 2.87Å; R375-D408 IonicContact NH1-OD1 3.38Å; R375-D408 PolarHBondContact NH1-OD1 3.06Å; R375-D413 IonicContact CZ-OD2 3.4Å; R375-D413 IonicContact NH1-OD1 2.85Å; R375-D413 IonicContact NH1-OD2 3.45Å; R375-D413 PolarHBondContact NH1-OD2 3.3Å; R375-D413 IonicContact NH2-OD2 3.31Å; R375-D413 PolarHBondContact NH2-OD2 2.94Å
376	V	90.2	Very high	87.5	Confident	30 Å²	30	69 Å²	69	18%	0.182	36%	0.36	C	S	.	.			trans	-86	92.6	170.9	-172.9	0	0	0	0	110.6	N374 L378 R379 L404 R406 D408	N374-V376 PolarHBondContact O-N 3.48Å; N374-V376 WeakPolarHBondContact OD1-CB 3.25Å; N374-V376 PolarHBondContact OD1-N 3.36Å; V376-L378 VanDerWaalsContact C-N 3.31Å; V376-L378 PolarHBondContact O-N 2.75Å; V376-R379 HydrophobicContact CG1-CG 4.43Å; V376-L404 WeakPolarHBondContact CG2-O 3.4Å; V376-R406 WeakPolarHBondContact CB-O 3.49Å; V376-D408 HydrophobicContact CG2-CB 4.21Å
377	T	84.6	Confident	86.9	Confident	101 Å²	101	69.3 Å²	69.3	62%	0.62	36%	0.362	S	S	*	.	S	Bend	trans	-64.2	-32.3	171.3	47.4	0	0	0	0	113.5	H305 R375	H305-T377 WeakPolarHBondContact NE2-CG2 3.48Å; R375-T377 PolarHBondContact O-N 3.15Å
378	L	86.8	Confident	86.3	Confident	147 Å²	147	70.9 Å²	70.9	77%	0.77	37%	0.37	S	S	*	.	S	Bend	trans	-129.1	92.6	-173	-66.5	176.7	0	0	0	110.6	V376 P380	V376-L378 VanDerWaalsContact C-N 3.31Å; V376-L378 PolarHBondContact O-N 2.75Å; L378-P380 WeakPolarHBondContact O-CD 3.38Å
379	R	86.9	Confident	86	Confident	118 Å²	118	77.7 Å²	77.7	45%	0.445	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-61.2	120.5	176.5	-69.9	177.3	169.5	130.9	0.3	110.1	N371 V376 R406 E407	N371-R379 PolarHBondContact OD1-NH2 2.74Å; V376-R379 HydrophobicContact CG1-CG 4.43Å; R379-R406 HydrophobicContact CG-CB 4.23Å; R379-E407 IonicContact CZ-OE1 3.16Å; R379-E407 IonicContact CZ-OE2 2.71Å; R379-E407 IonicContact NE-OE1 3.69Å; R379-E407 PolarHBondContact NE-OE1 2.84Å; R379-E407 IonicContact NE-OE2 3.39Å; R379-E407 PolarHBondContact NE-OE2 3.03Å; R379-E407 IonicContact NH2-OE1 3.36Å; R379-E407 PolarHBondContact NH2-OE1 3.43Å; R379-E407 IonicContact NH2-OE2 3.73Å; R379-E407 PolarHBondContact NH2-OE2 3.01Å
380	P	86.2	Confident	85.7	Confident	55 Å²	55	79.5 Å²	79.5	36%	0.357	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-68	164.1	-176.8	26.2	-34.3	0	0	0	112.6	L378 E405 R406	L378-P380 WeakPolarHBondContact O-CD 3.38Å; P380-E405 WeakPolarHBondContact CD-O 3.32Å; P380-E405 HydrophobicContact CG-CB 4.41Å; P380-E405 WeakPolarHBondContact CG-O 3.17Å; P380-R406 PolarHBondContact O-NH1 2.91Å; P380-R406 PolarHBondContact O-NH2 2.71Å
381	K	81.7	Confident	85.6	Confident	200 Å²	200	83.9 Å²	83.9	87%	0.87	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-67.1	148.9	172.8	-69.9	-176.2	178.6	178.5	0	111.1	N383 R406	K381-N383 PolarHBondContact O-N 3.41Å; K381-R406 PolarHBondContact O-NH2 2.9Å
382	S	74.8	Confident	85.6	Confident	95 Å²	95	84.4 Å²	84.4	66%	0.664	44%	0.443	S	S	*	.			trans	-86.8	104	-175.7	-174.9	0	0	0	0	111.2	P384	S382-P384 WeakPolarHBondContact O-CD 3.34Å
383	N	74.9	Confident	85.6	Confident	121 Å²	121	85 Å²	85	65%	0.647	45%	0.448	S	S	*	.			trans	-86.8	117.5	171	-81	0.4	0	0	0	110.3	K381 E385	K381-N383 PolarHBondContact O-N 3.41Å; N383-E385 VanDerWaalsContact C-N 3.26Å; N383-E385 PolarHBondContact O-N 2.94Å
384	P	68.9	Low	85.6	Confident	127 Å²	127	87.3 Å²	87.3	83%	0.825	46%	0.458	S	S	*	.			trans	-80.6	68.9	-179.6	34.2	-36.1	0	0	0	111.6	S382	S382-P384 WeakPolarHBondContact O-CD 3.34Å
385	E	78	Confident	85.6	Confident	110 Å²	110	87.6 Å²	87.6	51%	0.514	46%	0.46	S	S	.	.			trans	-67.3	132.7	173.1	-73.7	170.4	-152.8	0	0	111.7	N383 L387 K402	N383-E385 VanDerWaalsContact C-N 3.26Å; N383-E385 PolarHBondContact O-N 2.94Å; E385-L387 HydrophobicContact CB-CD2 4.23Å; E385-L387 PolarHBondContact O-N 3.45Å; E385-K402 VanDerWaalsContact CD-NZ 3.31Å; E385-K402 IonicContact OE1-NZ 2.68Å; E385-K402 IonicContact OE2-NZ 3.77Å; E385-K402 PolarHBondContact OE2-NZ 3.14Å
386	N	81.5	Confident	85.7	Confident	115 Å²	115	83.4 Å²	83.4	62%	0.615	44%	0.444	S	S	*	.			trans	-83.3	97.6	178.6	-175.7	1.4	0	0	0	111.5	D388 H389	N386-D388 VanDerWaalsContact OD1-CB 3.32Å; N386-D388 WeakPolarHBondContact OD1-CB 3.25Å; N386-D388 PolarHBondContact OD1-N 3.23Å; N386-H389 PolarHBondContact O-CE1 3.29Å; N386-H389 PolarHBondContact O-ND1 3.47Å
387	L	86.1	Confident	85.9	Confident	9 Å²	9	86.9 Å²	86.9	5%	0.047	45%	0.454	C	S	.	.			trans	-87.6	7.3	178.6	-53.5	-172.6	0	0	0	114.3	E385 H389 L390 K395 Q398 M399	E385-L387 HydrophobicContact CB-CD2 4.23Å; E385-L387 PolarHBondContact O-N 3.45Å; L387-H389 PolarHBondContact O-N 3.47Å; L387-L390 HydrophobicContact CB-CD1 4.24Å; L387-L390 HydrophobicContact CD2-CD1 4.02Å; L387-L390 PolarHBondContact O-N 2.88Å; L387-L390 VanDerWaalsContact O-N 3.09Å; L387-K395 HydrophobicContact CB-CD 4.41Å; L387-K395 HydrophobicContact CB-CG 3.93Å; L387-Q398 HydrophobicContact CD1-CB 3.87Å; L387-M399 HydrophobicContact CD1-CE 3.86Å; L387-M399 HydrophobicContact CD1-CG 4.24Å; L387-M399 HydrophobicContact CD1-SD 4.35Å
388	D	82.8	Confident	86.4	Confident	77 Å²	77	83.9 Å²	83.9	41%	0.412	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-3.1	178.4	-74.9	-2.9	0	0	0	113.6	N386 K395 Y430	N386-D388 VanDerWaalsContact OD1-CB 3.32Å; N386-D388 WeakPolarHBondContact OD1-CB 3.25Å; N386-D388 PolarHBondContact OD1-N 3.23Å; D388-K395 WeakPolarHBondContact OD1-CE 3.49Å; D388-K395 IonicContact OD1-NZ 3.63Å; D388-K395 PolarHBondContact OD1-NZ 2.88Å; D388-Y430 PolarHBondContact OD2-OH 2.8Å
389	H	86.7	Confident	86.7	Confident	142 Å²	142	79.8 Å²	79.8	66%	0.657	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-10.2	173.3	71	-88.5	0	0	0	113.8	N386 L387	N386-H389 PolarHBondContact O-CE1 3.29Å; N386-H389 PolarHBondContact O-ND1 3.47Å; L387-H389 PolarHBondContact O-N 3.47Å
390	L	91.2	Very high	87.1	Confident	38 Å²	38	75.6 Å²	75.6	20%	0.199	39%	0.394	C	S	.	.	S	Bend	trans	-95.8	150.2	-178.2	-63	175.3	0	0	0	111.6	L387 E394 K395 Q398	L387-L390 HydrophobicContact CB-CD1 4.24Å; L387-L390 HydrophobicContact CD2-CD1 4.02Å; L387-L390 PolarHBondContact O-N 2.88Å; L387-L390 VanDerWaalsContact O-N 3.09Å; L390-E394 HydrophobicContact CD1-CG 4.4Å; L390-K395 HydrophobicContact CB-CB 4.23Å; L390-Q398 VanDerWaalsContact CD1-OE1 3.29Å
391	P	92.6	Very high	87.6	Confident	97 Å²	97	79.3 Å²	79.3	63%	0.63	40%	0.401	S	S	*	.			trans	-55.8	144.3	165.6	-22.8	33.8	0	0	0	111.4	D393 E394 K395	P391-D393 VanDerWaalsContact C-N 3.26Å; P391-D393 PolarHBondContact O-N 3.05Å; P391-D393 VanDerWaalsContact O-N 3.15Å; P391-E394 PolarHBondContact O-N 2.81Å; P391-E394 VanDerWaalsContact O-N 3.07Å; P391-K395 WeakPolarHBondContact O-CB 3.37Å; P391-K395 PolarHBondContact O-N 2.87Å
392	D	92.4	Very high	88.1	Confident	53 Å²	53	72 Å²	72	28%	0.283	37%	0.369	S	S	.	.	H	α-helix	trans	-52.5	-40	-174.4	-89.7	-27.5	0	0	0	114.3	K395 G396 K420 T433 F435	D392-K395 PolarHBondContact O-N 2.81Å; D392-G396 PolarHBondContact O-N 2.87Å; D392-K420 WeakPolarHBondContact OD2-CE 3.45Å; D392-K420 IonicContact OD2-NZ 3.95Å; D392-K420 PolarHBondContact OD2-NZ 2.98Å; D392-T433 WeakPolarHBondContact OD1-CB 3.42Å; D392-T433 WeakPolarHBondContact OD1-CG2 3.33Å; D392-T433 PolarHBondContact OD1-OG1 3.31Å; D392-F435 HydrophobicContact CB-CZ 4.03Å; D392-F435 WeakPolarHBondContact O-CZ 3.39Å
393	D	92.3	Very high	89	Confident	58 Å²	58	68.9 Å²	68.9	31%	0.31	34%	0.343	S	S	.	.	H	α-helix	trans	-64	-43.9	179.2	165.3	60.1	0	0	0	112.5	P391 G396 R397	P391-D393 VanDerWaalsContact C-N 3.26Å; P391-D393 PolarHBondContact O-N 3.05Å; P391-D393 VanDerWaalsContact O-N 3.15Å; D393-G396 PolarHBondContact O-N 2.83Å; D393-R397 PolarHBondContact O-N 2.95Å; D393-R397 IonicContact OD1-CZ 3.47Å; D393-R397 IonicContact OD1-NH1 2.82Å; D393-R397 PolarHBondContact OD1-NH1 2.81Å; D393-R397 IonicContact OD2-CZ 2.67Å; D393-R397 IonicContact OD2-NH1 2.72Å; D393-R397 PolarHBondContact OD2-NH1 3.17Å; D393-R397 IonicContact OD2-NH2 2.69Å; D393-R397 PolarHBondContact OD2-NH2 2.89Å
394	E	93.5	Very high	90	Very high	48 Å²	48	66.2 Å²	66.2	22%	0.224	33%	0.329	C	S	.	.	H	α-helix	trans	-72.8	-39.7	175.5	-178.7	54.3	-152.3	0	0	111.7	L390 P391 G396 R397 Q398	L390-E394 HydrophobicContact CD1-CG 4.4Å; P391-E394 PolarHBondContact O-N 2.81Å; P391-E394 VanDerWaalsContact O-N 3.07Å; E394-G396 VanDerWaalsContact C-N 3.28Å; E394-G396 PolarHBondContact O-N 3.07Å; E394-R397 WeakPolarHBondContact O-CB 3.23Å; E394-R397 PolarHBondContact O-N 2.73Å; E394-R397 IonicContact OE2-CZ 3.14Å; E394-R397 IonicContact OE2-NE 3.71Å; E394-R397 PolarHBondContact OE2-NE 2.72Å; E394-R397 IonicContact OE2-NH2 2.76Å; E394-R397 PolarHBondContact OE2-NH2 3.5Å; E394-Q398 WeakPolarHBondContact O-CG 3.49Å; E394-Q398 PolarHBondContact O-N 2.9Å; E394-Q398 VanDerWaalsContact OE1-CG 3.31Å; E394-Q398 WeakPolarHBondContact OE1-CG 3.36Å; E394-Q398 PolarHBondContact OE1-NE2 2.81Å
395	K	93.8	Very high	91.2	Very high	10 Å²	10	64.2 Å²	64.2	4%	0.043	31%	0.308	C	S	.	.	H	α-helix	trans	-56.8	-43.1	171.8	-175.3	177	-179.3	-170.7	0	111.2	L387 D388 L390 P391 D392 Q398 M399 T433 F435	L387-K395 HydrophobicContact CB-CD 4.41Å; L387-K395 HydrophobicContact CB-CG 3.93Å; D388-K395 WeakPolarHBondContact OD1-CE 3.49Å; D388-K395 IonicContact OD1-NZ 3.63Å; D388-K395 PolarHBondContact OD1-NZ 2.88Å; L390-K395 HydrophobicContact CB-CB 4.23Å; P391-K395 WeakPolarHBondContact O-CB 3.37Å; P391-K395 PolarHBondContact O-N 2.87Å; D392-K395 PolarHBondContact O-N 2.81Å; K395-Q398 PolarHBondContact O-N 3.11Å; K395-M399 WeakPolarHBondContact O-CB 3.21Å; K395-M399 WeakPolarHBondContact O-CG 3.36Å; K395-M399 PolarHBondContact O-N 2.9Å; K395-T433 PolarHBondContact NZ-O 3.45Å; K395-T433 PolarHBondContact NZ-OG1 2.87Å; K395-F435 HydrophobicContact CB-CE2 4.07Å; K395-F435 HydrophobicContact CD-CE2 3.97Å; K395-F435 HydrophobicContact CG-CD2 4.13Å; K395-F435 HydrophobicContact CG-CE2 3.84Å
396	G	93.9	Very high	91.9	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.3	-46.3	174.2	0	0	0	0	0	112.7	D392 D393 E394 Q398 M399 W400 Q418	D392-G396 PolarHBondContact O-N 2.87Å; D393-G396 PolarHBondContact O-N 2.83Å; E394-G396 VanDerWaalsContact C-N 3.28Å; E394-G396 PolarHBondContact O-N 3.07Å; G396-Q398 PolarHBondContact O-N 3.33Å; G396-M399 PolarHBondContact O-N 2.94Å; G396-W400 WeakPolarHBondContact O-CB 3.26Å; G396-W400 PolarHBondContact O-N 2.95Å; G396-Q418 PolarHBondContact O-NE2 3.33Å
397	R	94.6	Very high	92.5	Very high	104 Å²	104	58 Å²	58	39%	0.392	27%	0.273	S	S	.	.	H	α-helix	trans	-59.6	-43.1	173.3	-80.9	-168.3	-69.6	-84.4	-5.3	113.2	D393 E394 W400 R401	D393-R397 PolarHBondContact O-N 2.95Å; D393-R397 IonicContact OD1-CZ 3.47Å; D393-R397 IonicContact OD1-NH1 2.82Å; D393-R397 PolarHBondContact OD1-NH1 2.81Å; D393-R397 IonicContact OD2-CZ 2.67Å; D393-R397 IonicContact OD2-NH1 2.72Å; D393-R397 PolarHBondContact OD2-NH1 3.17Å; D393-R397 IonicContact OD2-NH2 2.69Å; D393-R397 PolarHBondContact OD2-NH2 2.89Å; E394-R397 WeakPolarHBondContact O-CB 3.23Å; E394-R397 PolarHBondContact O-N 2.73Å; E394-R397 IonicContact OE2-CZ 3.14Å; E394-R397 IonicContact OE2-NE 3.71Å; E394-R397 PolarHBondContact OE2-NE 2.72Å; E394-R397 IonicContact OE2-NH2 2.76Å; E394-R397 PolarHBondContact OE2-NH2 3.5Å; R397-W400 WeakPolarHBondContact O-CB 3.49Å; R397-W400 PolarHBondContact O-N 2.79Å; R397-R401 PolarHBondContact O-N 2.73Å
398	Q	94.6	Very high	92.9	Very high	37 Å²	37	59.9 Å²	59.9	17%	0.173	28%	0.283	C	S	.	.	H	α-helix	trans	-72.2	-37.6	-179.5	-68.2	-173.1	19	0	0	112.5	L387 L390 E394 K395 G396 W400 R401 K402	L387-Q398 HydrophobicContact CD1-CB 3.87Å; L390-Q398 VanDerWaalsContact CD1-OE1 3.29Å; E394-Q398 WeakPolarHBondContact O-CG 3.49Å; E394-Q398 PolarHBondContact O-N 2.9Å; E394-Q398 VanDerWaalsContact OE1-CG 3.31Å; E394-Q398 WeakPolarHBondContact OE1-CG 3.36Å; E394-Q398 PolarHBondContact OE1-NE2 2.81Å; K395-Q398 PolarHBondContact O-N 3.11Å; G396-Q398 PolarHBondContact O-N 3.33Å; Q398-W400 VanDerWaalsContact C-N 3.29Å; Q398-W400 PolarHBondContact O-N 3.36Å; Q398-R401 PolarHBondContact O-N 3.46Å; Q398-K402 WeakPolarHBondContact O-CG 3.31Å; Q398-K402 PolarHBondContact O-N 2.85Å
399	M	93.8	Very high	93.6	Very high	62 Å²	62	56.3 Å²	56.3	31%	0.305	26%	0.264	S	S	.	.	H	α-helix	trans	-64.8	-35.3	171.4	-63.3	-87.3	70.8	0	0	111.5	L387 K395 G396 K402 Y403 F435	L387-M399 HydrophobicContact CD1-CE 3.86Å; L387-M399 HydrophobicContact CD1-CG 4.24Å; L387-M399 HydrophobicContact CD1-SD 4.35Å; K395-M399 WeakPolarHBondContact O-CB 3.21Å; K395-M399 WeakPolarHBondContact O-CG 3.36Å; K395-M399 PolarHBondContact O-N 2.9Å; G396-M399 PolarHBondContact O-N 2.94Å; M399-K402 HydrophobicContact CE-CD 3.94Å; M399-Y403 PolarHBondContact O-N 3.45Å; M399-Y403 VanDerWaalsContact O-N 3.1Å; M399-F435 HydrophobicContact CB-CB 3.99Å; M399-F435 HydrophobicContact CG-CB 4.29Å; M399-F435 HydrophobicContact CG-CD2 4.34Å
400	W	95.4	Very high	94	Very high	30 Å²	30	52.4 Å²	52.4	11%	0.114	24%	0.244	C	C	.	.	H	α-helix	trans	-66.9	-41.9	172.9	-174.4	-97.9	0	0	0	112.6	G396 R397 Q398 K402 Y403 L404 V416 Q418 R493	G396-W400 WeakPolarHBondContact O-CB 3.26Å; G396-W400 PolarHBondContact O-N 2.95Å; R397-W400 WeakPolarHBondContact O-CB 3.49Å; R397-W400 PolarHBondContact O-N 2.79Å; Q398-W400 VanDerWaalsContact C-N 3.29Å; Q398-W400 PolarHBondContact O-N 3.36Å; W400-K402 PolarHBondContact O-N 3.02Å; W400-Y403 HydrophobicContact CE3-CD1 4.19Å; W400-Y403 HydrophobicContact CH2-CD1 4.29Å; W400-Y403 HydrophobicContact CH2-CE1 4.24Å; W400-Y403 HydrophobicContact CZ3-CD1 4.07Å; W400-Y403 HydrophobicContact CZ3-CE1 4.29Å; W400-Y403 WeakPolarHBondContact O-CB 3.46Å; W400-Y403 PolarHBondContact O-N 3Å; W400-L404 HydrophobicContact CZ2-CD2 4.31Å; W400-L404 PolarHBondContact O-N 3.39Å; W400-V416 HydrophobicContact CH2-CB 4.12Å; W400-V416 HydrophobicContact CH2-CG1 3.69Å; W400-V416 HydrophobicContact CZ3-CG1 3.88Å; W400-Q418 HydrophobicContact CE3-CB 3.92Å; W400-Q418 HydrophobicContact CE3-CG 4.16Å; W400-Q418 HydrophobicContact CZ3-CB 4.02Å; W400-R493 VanDerWaalsContact CD2-CD 3.45Å; W400-R493 VanDerWaalsContact CD2-NE 3.29Å; W400-R493 VanDerWaalsContact CE2-NE 3.26Å
401	R	95.1	Very high	94.3	Very high	133 Å²	133	50.6 Å²	50.6	50%	0.502	23%	0.234	S	C	.	.	H	α-helix	trans	-60	-46.8	175.2	-163.1	-174.2	-62.2	127.8	4.6	111.2	R397 Q398 Y403 L404 E405	R397-R401 PolarHBondContact O-N 2.73Å; Q398-R401 PolarHBondContact O-N 3.46Å; R401-Y403 PolarHBondContact O-N 2.72Å; R401-L404 CarbonylContact O-C 3.6Å; R401-L404 PolarHBondContact O-N 2.86Å; R401-L404 VanDerWaalsContact O-N 3.11Å; R401-E405 WeakPolarHBondContact CG-OE1 3.34Å; R401-E405 VanDerWaalsContact O-CG 3.3Å; R401-E405 WeakPolarHBondContact O-CG 3.27Å; R401-E405 PolarHBondContact O-N 2.97Å
402	K	93.3	Very high	94.6	Very high	46 Å²	46	46.5 Å²	46.5	20%	0.2	21%	0.209	C	C	.	.	H	α-helix	trans	-66.4	-16.9	176.4	-72	173.6	177.3	176.4	0	115	E385 Q398 M399 W400	E385-K402 VanDerWaalsContact CD-NZ 3.31Å; E385-K402 IonicContact OE1-NZ 2.68Å; E385-K402 IonicContact OE2-NZ 3.77Å; E385-K402 PolarHBondContact OE2-NZ 3.14Å; Q398-K402 WeakPolarHBondContact O-CG 3.31Å; Q398-K402 PolarHBondContact O-N 2.85Å; M399-K402 HydrophobicContact CE-CD 3.94Å; W400-K402 PolarHBondContact O-N 3.02Å
403	Y	94.4	Very high	94.8	Very high	29 Å²	29	47.2 Å²	47.2	11%	0.114	21%	0.213	C	C	.	.	H	α-helix	trans	-80.3	-50	168	170.5	-106.6	0	0	0	110.8	M399 W400 R401 E405 R406 E407 V416 P437	M399-Y403 PolarHBondContact O-N 3.45Å; M399-Y403 VanDerWaalsContact O-N 3.1Å; W400-Y403 HydrophobicContact CE3-CD1 4.19Å; W400-Y403 HydrophobicContact CH2-CD1 4.29Å; W400-Y403 HydrophobicContact CH2-CE1 4.24Å; W400-Y403 HydrophobicContact CZ3-CD1 4.07Å; W400-Y403 HydrophobicContact CZ3-CE1 4.29Å; W400-Y403 WeakPolarHBondContact O-CB 3.46Å; W400-Y403 PolarHBondContact O-N 3Å; R401-Y403 PolarHBondContact O-N 2.72Å; Y403-E405 PolarHBondContact O-N 2.99Å; Y403-R406 PolarHBondContact O-N 2.8Å; Y403-E407 HydrophobicContact CD2-CB 4.05Å; Y403-E407 HydrophobicContact CD2-CG 3.91Å; Y403-E407 HydrophobicContact CE1-CB 4.2Å; Y403-E407 HydrophobicContact CE2-CB 3.47Å; Y403-E407 VanDerWaalsContact CE2-CB 3.47Å; Y403-E407 HydrophobicContact CE2-CG 3.44Å; Y403-E407 VanDerWaalsContact CE2-CG 3.44Å; Y403-E407 PolarHBondContact O-N 3.1Å; Y403-V416 HydrophobicContact CE1-CG1 3.78Å; Y403-P437 HydrophobicContact CD1-CB 4.38Å; Y403-P437 HydrophobicContact CD2-CB 4.05Å; Y403-P437 HydrophobicContact CD2-CG 3.75Å; Y403-P437 HydrophobicContact CE1-CB 4.2Å; Y403-P437 HydrophobicContact CE2-CB 3.86Å; Y403-P437 HydrophobicContact CE2-CG 3.74Å; Y403-P437 HydrophobicContact CG-CB 4.32Å; Y403-P437 HydrophobicContact CG-CG 4.36Å
404	L	95.4	Very high	95.1	Very high	66 Å²	66	44.4 Å²	44.4	35%	0.346	20%	0.198	S	C	.	.	H	α-helix	trans	-63.4	-26.7	175.8	-65.8	-177.1	0	0	0	113.7	V376 W400 R401 R406	V376-L404 WeakPolarHBondContact CG2-O 3.4Å; W400-L404 HydrophobicContact CZ2-CD2 4.31Å; W400-L404 PolarHBondContact O-N 3.39Å; R401-L404 CarbonylContact O-C 3.6Å; R401-L404 PolarHBondContact O-N 2.86Å; R401-L404 VanDerWaalsContact O-N 3.11Å; L404-R406 PolarHBondContact O-N 3.35Å
405	E	93.9	Very high	95.3	Very high	84 Å²	84	42.1 Å²	42.1	39%	0.393	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-5.9	169	-75.6	161.2	-146.2	0	0	113.7	P380 R401 Y403	P380-E405 WeakPolarHBondContact CD-O 3.32Å; P380-E405 HydrophobicContact CG-CB 4.41Å; P380-E405 WeakPolarHBondContact CG-O 3.17Å; R401-E405 WeakPolarHBondContact CG-OE1 3.34Å; R401-E405 VanDerWaalsContact O-CG 3.3Å; R401-E405 WeakPolarHBondContact O-CG 3.27Å; R401-E405 PolarHBondContact O-N 2.97Å; Y403-E405 PolarHBondContact O-N 2.99Å
406	R	92.8	Very high	95.5	Very high	64 Å²	64	42.1 Å²	42.1	24%	0.242	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.4	-37.5	178.8	-58	176	177.2	-68.7	-23.7	112.9	N374 V376 R379 P380 K381 Y403 L404	N374-R406 PolarHBondContact ND2-O 3.47Å; V376-R406 WeakPolarHBondContact CB-O 3.49Å; R379-R406 HydrophobicContact CG-CB 4.23Å; P380-R406 PolarHBondContact O-NH1 2.91Å; P380-R406 PolarHBondContact O-NH2 2.71Å; K381-R406 PolarHBondContact O-NH2 2.9Å; Y403-R406 PolarHBondContact O-N 2.8Å; L404-R406 PolarHBondContact O-N 3.35Å
407	E	94.2	Very high	95.7	Very high	31 Å²	31	42.1 Å²	42.1	15%	0.145	19%	0.188	C	C	.	.			trans	-132.2	81	-165.2	-48.8	-41.9	152.1	0	0	110.2	H370 N374 R379 Y403	H370-E407 IonicContact CE1-OE2 3.4Å; H370-E407 IonicContact NE2-OE2 2.77Å; H370-E407 PolarHBondContact NE2-OE2 3.45Å; N374-E407 PolarHBondContact ND2-OE2 3.06Å; R379-E407 IonicContact CZ-OE1 3.16Å; R379-E407 IonicContact CZ-OE2 2.71Å; R379-E407 IonicContact NE-OE1 3.69Å; R379-E407 PolarHBondContact NE-OE1 2.84Å; R379-E407 IonicContact NE-OE2 3.39Å; R379-E407 PolarHBondContact NE-OE2 3.03Å; R379-E407 IonicContact NH2-OE1 3.36Å; R379-E407 PolarHBondContact NH2-OE1 3.43Å; R379-E407 IonicContact NH2-OE2 3.73Å; R379-E407 PolarHBondContact NH2-OE2 3.01Å; Y403-E407 HydrophobicContact CD2-CB 4.05Å; Y403-E407 HydrophobicContact CD2-CG 3.91Å; Y403-E407 HydrophobicContact CE1-CB 4.2Å; Y403-E407 HydrophobicContact CE2-CB 3.47Å; Y403-E407 VanDerWaalsContact CE2-CB 3.47Å; Y403-E407 HydrophobicContact CE2-CG 3.44Å; Y403-E407 VanDerWaalsContact CE2-CG 3.44Å; Y403-E407 PolarHBondContact O-N 3.1Å
408	D	95.1	Very high	95.8	Very high	49 Å²	49	37.4 Å²	37.4	26%	0.262	17%	0.171	S	C	.	.			trans	-122.7	112	176.1	174.6	7	0	0	0	109.2	N374 R375 V376	N374-D408 CarbonylContact C-O 3.57Å; N374-D408 WeakPolarHBondContact CA-O 3.4Å; N374-D408 PolarHBondContact OD1-N 3.43Å; N374-D408 PolarHBondContact OD1-O 2.9Å; R375-D408 HydrophobicContact CB-CB 4.4Å; R375-D408 WeakPolarHBondContact CB-O 3.21Å; R375-D408 IonicContact CZ-OD1 2.74Å; R375-D408 PolarHBondContact N-O 2.87Å; R375-D408 IonicContact NH1-OD1 3.38Å; R375-D408 PolarHBondContact NH1-OD1 3.06Å; V376-D408 HydrophobicContact CG2-CB 4.21Å
409	S	96.3	Very high	95.9	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.007	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-150.9	164.6	177.2	73.3	0	0	0	0	111.3	H370 V373 I411 G412 D413	H370-S409 VanDerWaalsContact ND1-CB 3.35Å; H370-S409 WeakPolarHBondContact ND1-CB 3.35Å; H370-S409 PolarHBondContact ND1-OG 3.26Å; V373-S409 WeakPolarHBondContact O-CB 3.43Å; S409-I411 PolarHBondContact O-N 3.31Å; S409-I411 PolarHBondContact OG-N 3.37Å; S409-G412 WeakPolarHBondContact O-CA 3.19Å; S409-G412 PolarHBondContact O-N 3.41Å; S409-G412 PolarHBondContact OG-N 2.84Å; S409-D413 VanDerWaalsContact O-CG 3.31Å; S409-D413 PolarHBondContact O-N 3.4Å
410	R	95.9	Very high	96	Very high	61 Å²	61	33.8 Å²	33.8	23%	0.23	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.1	172.5	-166.9	62.9	173.1	147.5	9.3	113.5	E290 Y294 D413 L414	E290-R410 IonicContact OE2-CZ 2.62Å; E290-R410 IonicContact OE2-NH1 2.67Å; E290-R410 IonicContact OE2-NH2 2.67Å; E290-R410 PolarHBondContact OE2-NH2 3.16Å; Y294-R410 HydrophobicContact CD1-CB 4.34Å; Y294-R410 HydrophobicContact CD1-CG 3.97Å; Y294-R410 HydrophobicContact CD2-CB 4.25Å; Y294-R410 HydrophobicContact CD2-CG 3.61Å; Y294-R410 HydrophobicContact CE1-CB 3.74Å; Y294-R410 HydrophobicContact CE1-CG 3.88Å; Y294-R410 HydrophobicContact CE2-CB 3.65Å; Y294-R410 HydrophobicContact CE2-CG 3.53Å; Y294-R410 HydrophobicContact CG-CG 3.82Å; Y294-R410 WeakPolarHBondContact OH-CB 3.35Å; R410-D413 WeakPolarHBondContact CA-OD2 3.22Å; R410-L414 WeakPolarHBondContact O-CG 3.23Å
411	I	97.6	Very high	96	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-40.7	175.1	-41.1	-56.3	0	0	0	109.1	L291 Y294 M315 L366 L369 H370 V373 S409 L414 F415 W439	L291-I411 HydrophobicContact CD1-CD1 3.66Å; Y294-I411 HydrophobicContact CE1-CD1 4.5Å; M315-I411 HydrophobicContact SD-CD1 4.41Å; L366-I411 HydrophobicContact CB-CG2 4.49Å; L366-I411 HydrophobicContact CD2-CG2 3.73Å; L369-I411 HydrophobicContact CB-CD1 4.22Å; L369-I411 HydrophobicContact CB-CG1 4.02Å; H370-I411 HydrophobicContact CB-CB 4.23Å; V373-I411 HydrophobicContact CG2-CD1 4.42Å; V373-I411 HydrophobicContact CG2-CG1 3.91Å; S409-I411 PolarHBondContact O-N 3.31Å; S409-I411 PolarHBondContact OG-N 3.37Å; I411-L414 PolarHBondContact O-N 2.94Å; I411-F415 HydrophobicContact CG2-CD2 4Å; I411-F415 HydrophobicContact CG2-CE2 4.42Å; I411-F415 WeakPolarHBondContact O-CD2 3.32Å; I411-F415 PolarHBondContact O-N 3.39Å; I411-F415 VanDerWaalsContact O-N 3.1Å; I411-W439 HydrophobicContact CB-CZ3 4.48Å; I411-W439 HydrophobicContact CG2-CZ3 4.03Å
412	G	97.3	Very high	96.1	Very high	11 Å²	11	26.9 Å²	26.9	11%	0.113	13%	0.13	C	C	.	.	H	α-helix	trans	-59.5	-46.5	173	0	0	0	0	0	113.1	S409 L414 F415 V416	S409-G412 WeakPolarHBondContact O-CA 3.19Å; S409-G412 PolarHBondContact O-N 3.41Å; S409-G412 PolarHBondContact OG-N 2.84Å; G412-L414 PolarHBondContact O-N 2.88Å; G412-F415 PolarHBondContact O-N 3.21Å; G412-V416 PolarHBondContact O-N 2.88Å; G412-V416 VanDerWaalsContact O-N 3.14Å
413	D	97.3	Very high	96.2	Very high	67 Å²	67	24.7 Å²	24.7	36%	0.358	12%	0.12	S	C	.	.	H	α-helix	trans	-51.4	-27.7	175.8	-72.9	-40.4	0	0	0	113.5	R375 S409 R410 K496	R375-D413 IonicContact CZ-OD2 3.4Å; R375-D413 IonicContact NH1-OD1 2.85Å; R375-D413 IonicContact NH1-OD2 3.45Å; R375-D413 PolarHBondContact NH1-OD2 3.3Å; R375-D413 IonicContact NH2-OD2 3.31Å; R375-D413 PolarHBondContact NH2-OD2 2.94Å; S409-D413 VanDerWaalsContact O-CG 3.31Å; S409-D413 PolarHBondContact O-N 3.4Å; R410-D413 WeakPolarHBondContact CA-OD2 3.22Å; D413-K496 WeakPolarHBondContact O-CD 3.5Å
414	L	98.1	Very high	96.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-96.8	-52.6	-176.8	-62.7	179	0	0	0	112.5	E290 L291 R410 I411 G412 K496 I497	E290-L414 HydrophobicContact CB-CD1 4.09Å; E290-L414 HydrophobicContact CB-CD2 3.51Å; E290-L414 HydrophobicContact CB-CG 4.47Å; E290-L414 HydrophobicContact CG-CD2 4.21Å; L291-L414 HydrophobicContact CB-CD1 3.84Å; R410-L414 WeakPolarHBondContact O-CG 3.23Å; I411-L414 PolarHBondContact O-N 2.94Å; G412-L414 PolarHBondContact O-N 2.88Å; L414-K496 HydrophobicContact CD2-CD 3.83Å; L414-K496 PolarHBondContact O-N 3.11Å; L414-K496 VanDerWaalsContact O-N 3.08Å; L414-I497 HydrophobicContact CB-CG1 4.18Å; L414-I497 PolarHBondContact O-N 2.85Å
415	F	98.4	Very high	96.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-98.6	-17	-164.2	-69.3	-84.9	0	0	0	115	L285 T288 L291 L366 I411 G412 W439 P495 I497 V499	L285-F415 HydrophobicContact CD2-CE1 4.19Å; L285-F415 HydrophobicContact CD2-CE2 4.46Å; L285-F415 HydrophobicContact CD2-CZ 3.63Å; T288-F415 HydrophobicContact CG2-CZ 4.12Å; L291-F415 HydrophobicContact CD2-CE2 4.23Å; L291-F415 HydrophobicContact CD2-CZ 4.41Å; L366-F415 HydrophobicContact CD1-CB 4.5Å; L366-F415 HydrophobicContact CD1-CD1 4.07Å; L366-F415 HydrophobicContact CD1-CD2 4.5Å; L366-F415 HydrophobicContact CD1-CE1 4.41Å; L366-F415 HydrophobicContact CD1-CG 4.11Å; L366-F415 HydrophobicContact CD2-CD2 3.85Å; L366-F415 HydrophobicContact CD2-CE1 4.46Å; L366-F415 HydrophobicContact CD2-CE2 3.74Å; L366-F415 HydrophobicContact CD2-CG 4.29Å; L366-F415 HydrophobicContact CD2-CZ 4.07Å; I411-F415 HydrophobicContact CG2-CD2 4Å; I411-F415 HydrophobicContact CG2-CE2 4.42Å; I411-F415 WeakPolarHBondContact O-CD2 3.32Å; I411-F415 PolarHBondContact O-N 3.39Å; I411-F415 VanDerWaalsContact O-N 3.1Å; G412-F415 PolarHBondContact O-N 3.21Å; F415-W439 HydrophobicContact CB-CE3 3.75Å; F415-W439 HydrophobicContact CB-CZ3 4.13Å; F415-P495 WeakPolarHBondContact O-CB 3.26Å; F415-I497 HydrophobicContact CD1-CB 3.94Å; F415-I497 HydrophobicContact CD1-CG2 3.74Å; F415-I497 HydrophobicContact CE1-CB 3.92Å; F415-I497 HydrophobicContact CE1-CG2 3.34Å; F415-I497 HydrophobicContact CG-CB 4.49Å; F415-I497 HydrophobicContact CZ-CB 4.42Å; F415-I497 HydrophobicContact CZ-CG2 4.02Å; F415-V499 HydrophobicContact CD1-CG2 3.94Å; F415-V499 HydrophobicContact CE1-CG2 4.04Å
416	V	98.4	Very high	96.6	Very high	10 Å²	10	20.9 Å²	20.9	6%	0.061	11%	0.109	C	C	.	.			trans	-91.3	117.3	-169.8	-172.5	0	0	0	0	112.6	W400 Y403 G412 P437 F438 W439	W400-V416 HydrophobicContact CH2-CB 4.12Å; W400-V416 HydrophobicContact CH2-CG1 3.69Å; W400-V416 HydrophobicContact CZ3-CG1 3.88Å; Y403-V416 HydrophobicContact CE1-CG1 3.78Å; G412-V416 PolarHBondContact O-N 2.88Å; G412-V416 VanDerWaalsContact O-N 3.14Å; V416-P437 HydrophobicContact CG1-CB 3.8Å; V416-F438 WeakPolarHBondContact CA-O 3.46Å; V416-W439 HydrophobicContact CG2-CD2 3.53Å; V416-W439 VanDerWaalsContact CG2-CE2 3.45Å; V416-W439 HydrophobicContact CG2-CE3 3.56Å; V416-W439 HydrophobicContact CG2-CG 4.31Å; V416-W439 HydrophobicContact CG2-CH2 3.45Å; V416-W439 VanDerWaalsContact CG2-CH2 3.45Å; V416-W439 HydrophobicContact CG2-CZ2 3.42Å; V416-W439 VanDerWaalsContact CG2-CZ2 3.42Å; V416-W439 HydrophobicContact CG2-CZ3 3.51Å
417	G	97.1	Very high	96.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-178.8	165.8	0	0	0	0	0	112.2	P437 F438 R493	G417-P437 CarbonylContact O-C 3.53Å; G417-P437 VanDerWaalsContact O-CA 3.31Å; G417-P437 WeakPolarHBondContact O-CA 3.44Å; G417-F438 VanDerWaalsContact CA-CE1 3.49Å; G417-F438 PolarHBondContact N-O 2.93Å; G417-F438 PolarHBondContact O-N 2.89Å; G417-R493 CarbonylContact C-O 3.57Å; G417-R493 VanDerWaalsContact CA-O 3.26Å; G417-R493 WeakPolarHBondContact CA-O 3.47Å
418	Q	97.3	Very high	96.9	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.019	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	125.9	174.9	-165.9	-177.6	37.1	0	0	110.3	G396 W400 F435 D436 F438 Q492 R493	G396-Q418 PolarHBondContact O-NE2 3.33Å; W400-Q418 HydrophobicContact CE3-CB 3.92Å; W400-Q418 HydrophobicContact CE3-CG 4.16Å; W400-Q418 HydrophobicContact CZ3-CB 4.02Å; Q418-F435 HydrophobicContact CG-CB 4.18Å; Q418-D436 CarbonylContact C-O 3.58Å; Q418-D436 WeakPolarHBondContact CA-O 3.39Å; Q418-F438 VanDerWaalsContact N-CE1 3.28Å; Q418-Q492 HydrophobicContact CB-CB 4.39Å; Q418-Q492 HydrophobicContact CG-CB 4.42Å; Q418-Q492 PolarHBondContact O-N 3.39Å; Q418-R493 HydrophobicContact CB-CB 3.69Å; Q418-R493 HydrophobicContact CB-CG 3.84Å; Q418-R493 PolarHBondContact N-O 3Å; Q418-R493 PolarHBondContact O-N 2.59Å; Q418-R493 VanDerWaalsContact O-N 3.1Å
419	L	97	Very high	96.9	Very high	6 Å²	6	23.5 Å²	23.5	3%	0.031	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	137	171.1	-76.4	168.5	0	0	0	110	F435 D436 F438 L441 F462 S490 I491	L419-F435 CarbonylContact O-C 3.59Å; L419-F435 VanDerWaalsContact O-CA 3.26Å; L419-F435 WeakPolarHBondContact O-CA 3.48Å; L419-D436 PolarHBondContact N-O 3.28Å; L419-D436 PolarHBondContact O-N 3.05Å; L419-F438 HydrophobicContact CB-CD1 4.4Å; L419-F438 HydrophobicContact CD1-CB 4.42Å; L419-F438 HydrophobicContact CD1-CD1 4.23Å; L419-F438 HydrophobicContact CD1-CG 4.5Å; L419-F438 HydrophobicContact CD2-CD1 4.47Å; L419-F438 HydrophobicContact CD2-CE1 4.37Å; L419-F438 HydrophobicContact CG-CD1 3.63Å; L419-F438 HydrophobicContact CG-CE1 3.98Å; L419-F438 HydrophobicContact CG-CG 4.36Å; L419-L441 HydrophobicContact CD1-CD2 3.96Å; L419-L441 HydrophobicContact CD2-CD2 4.2Å; L419-L441 HydrophobicContact CG-CD2 4.29Å; L419-F462 HydrophobicContact CD1-CE1 4.42Å; L419-F462 HydrophobicContact CD1-CZ 3.98Å; L419-F462 HydrophobicContact CD2-CE1 3.95Å; L419-F462 HydrophobicContact CD2-CZ 4.34Å; L419-S490 WeakPolarHBondContact CA-O 3.48Å; L419-I491 HydrophobicContact CD2-CG1 4.05Å
420	K	96.1	Very high	96.8	Very high	17 Å²	17	25 Å²	25	7%	0.074	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	115.7	161.8	176.4	-179.7	-178.1	-179.6	0	108	D392 F435 F489 S490 Q492	D392-K420 WeakPolarHBondContact OD2-CE 3.45Å; D392-K420 IonicContact OD2-NZ 3.95Å; D392-K420 PolarHBondContact OD2-NZ 2.98Å; K420-F435 HydrophobicContact CB-CD1 3.93Å; K420-F435 HydrophobicContact CB-CE1 3.62Å; K420-F435 HydrophobicContact CB-CZ 4.43Å; K420-F435 HydrophobicContact CD-CE1 3.92Å; K420-F435 HydrophobicContact CD-CZ 4.11Å; K420-F435 HydrophobicContact CG-CD1 4.3Å; K420-F435 HydrophobicContact CG-CE1 3.61Å; K420-F435 HydrophobicContact CG-CZ 3.94Å; K420-F489 WeakPolarHBondContact O-CA 3.42Å; K420-S490 PolarHBondContact N-O 3.26Å; K420-S490 PolarHBondContact O-N 3.38Å; K420-Q492 HydrophobicContact CB-CB 4.28Å
421	S	95.9	Very high	96.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	120.4	168.3	-169.3	0	0	0	0	109.8	S5 T433 V434 K487 K488 F489	S5-S421 PolarHBondContact O-OG 2.96Å; S421-T433 CarbonylContact O-C 3.59Å; S421-T433 VanDerWaalsContact O-CA 3.3Å; S421-T433 WeakPolarHBondContact O-CA 3.4Å; S421-V434 PolarHBondContact N-O 3.32Å; S421-V434 PolarHBondContact O-N 2.9Å; S421-K487 VanDerWaalsContact OG-CE 3.27Å; S421-K487 WeakPolarHBondContact OG-CE 3.22Å; S421-K488 WeakPolarHBondContact CA-O 3.47Å; S421-F489 WeakPolarHBondContact OG-CE1 3.2Å
422	S	95.3	Very high	96.5	Very high	18 Å²	18	24.7 Å²	24.7	13%	0.126	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	137.7	176.1	-54.8	0	0	0	0	109.9	K487 K488	S422-K487 CarbonylContact O-C 3.47Å; S422-K487 WeakPolarHBondContact O-CA 3.35Å; S422-K488 PolarHBondContact N-O 2.73Å; S422-K488 PolarHBondContact O-N 3.37Å
423	L	96.3	Very high	96.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	106.7	176.8	-177.1	66.2	0	0	0	110.2	M1 S5 C431 S432 L468 P474 C485 I486 K487	M1-L423 HydrophobicContact CB-CD2 4.05Å; M1-L423 HydrophobicContact CG-CD2 4.31Å; M1-L423 HydrophobicContact SD-CD2 3.94Å; M1-L423 HydrophobicContact SD-CG 4.26Å; S5-L423 WeakPolarHBondContact OG-CB 3.36Å; L423-C431 WeakPolarHBondContact O-CA 3.42Å; L423-S432 PolarHBondContact N-O 3.23Å; L423-S432 PolarHBondContact O-N 3.39Å; L423-L468 HydrophobicContact CD1-CD1 3.94Å; L423-P474 HydrophobicContact CD1-CG 4.46Å; L423-P474 HydrophobicContact CD2-CB 4.39Å; L423-P474 HydrophobicContact CD2-CG 4.25Å; L423-C485 HydrophobicContact CD1-CB 3.55Å; L423-C485 HydrophobicContact CG-CB 4.11Å; L423-I486 CarbonylContact C-O 3.54Å; L423-I486 WeakPolarHBondContact CA-O 3.47Å; L423-K487 HydrophobicContact CD1-CB 3.93Å; L423-K487 HydrophobicContact CD1-CG 4.38Å
424	T	97.1	Very high	96.1	Very high	48 Å²	48	22.6 Å²	22.6	29%	0.294	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	121.6	-172	-55.2	0	0	0	0	111.5	Y430 C431 C485 I486	T424-Y430 WeakPolarHBondContact CA-O 3.16Å; T424-C431 HydrophobicContact CG2-CB 4.42Å; T424-C431 WeakPolarHBondContact OG1-CB 3.35Å; T424-C431 PolarHBondContact OG1-SG 3.15Å; T424-C485 CarbonylContact O-C 3.51Å; T424-C485 WeakPolarHBondContact O-CA 3.46Å; T424-C485 WeakPolarHBondContact O-CB 3.19Å; T424-I486 PolarHBondContact N-O 3.25Å; T424-I486 PolarHBondContact O-N 2.81Å
425	C	97.4	Very high	96	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	121.6	176.2	-176.7	0	0	0	0	111.5	D427 G429 Y430 C476 C485	C425-D427 PolarHBondContact O-N 2.89Å; C425-G429 WeakPolarHBondContact O-CA 3.44Å; C425-G429 PolarHBondContact O-N 3.2Å; C425-Y430 PolarHBondContact N-O 3.43Å; C425-C476 HydrophobicContact CB-CB 4.34Å; C425-C476 VanDerWaalsContact SG-SG 3.61Å; C425-C485 VanDerWaalsContact CA-SG 3.56Å
426	T	97.6	Very high	95.8	Very high	52 Å²	52	23.3 Å²	23.3	32%	0.319	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-15.2	-177.4	66.4	0	0	0	0	113.9	R484 I486	T426-R484 HydrophobicContact CG2-CG 4.15Å; T426-R484 PolarHBondContact N-O 2.8Å; T426-R484 PolarHBondContact OG1-NE 3.39Å; T426-R484 PolarHBondContact OG1-NH2 2.97Å; T426-R484 VanDerWaalsContact OG1-NH2 3.16Å; T426-R484 PolarHBondContact OG1-O 3.37Å; T426-I486 HydrophobicContact CG2-CD1 4.27Å; T426-I486 HydrophobicContact CG2-CG1 4.04Å
427	D	96.6	Very high	95.8	Very high	83 Å²	83	23.8 Å²	23.8	44%	0.444	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-21.4	-173.7	-64.5	50.6	0	0	0	113.2	C425 K483	C425-D427 PolarHBondContact O-N 2.89Å; D427-K483 HydrophobicContact CB-CD 4.24Å; D427-K483 HydrophobicContact CB-CG 4.43Å; D427-K483 VanDerWaalsContact OD2-CD 3.24Å; D427-K483 WeakPolarHBondContact OD2-CD 3.49Å; D427-K483 WeakPolarHBondContact OD2-CE 3.37Å; D427-K483 IonicContact OD2-NZ 3.07Å; D427-K483 PolarHBondContact OD2-NZ 3.3Å
428	C	96.6	Very high	95.8	Very high	59 Å²	59	23.9 Å²	23.9	40%	0.399	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.3	8.1	-176.1	70.2	0	0	0	0	114.5	Y430 C479	C428-Y430 PolarHBondContact O-N 3.02Å; C428-C479 PolarHBondContact SG-SG 3.04Å
429	G	95.9	Very high	95.8	Very high	57 Å²	57	25.3 Å²	25.3	59%	0.588	16%	0.158	S	C	*	.			trans	67.5	-6.6	179.6	0	0	0	0	0	115.8	C425 C431	C425-G429 WeakPolarHBondContact O-CA 3.44Å; C425-G429 PolarHBondContact O-N 3.2Å; G429-C431 PolarHBondContact O-N 3.16Å
430	Y	94.1	Very high	95.9	Very high	32 Å²	32	25.3 Å²	25.3	13%	0.125	16%	0.158	C	C	.	.			trans	-66.4	113	-175.6	-175.6	-121.4	0	0	0	111.9	M1 D388 T424 C425 C428 C477 R478	M1-Y430 HydrophobicContact CE-CD1 3.63Å; M1-Y430 HydrophobicContact CE-CE1 4.1Å; D388-Y430 PolarHBondContact OD2-OH 2.8Å; T424-Y430 WeakPolarHBondContact CA-O 3.16Å; C425-Y430 PolarHBondContact N-O 3.43Å; C428-Y430 PolarHBondContact O-N 3.02Å; Y430-C477 VanDerWaalsContact CE1-SG 3.57Å; Y430-R478 HydrophobicContact CD1-CG 3.99Å; Y430-R478 VanDerWaalsContact CE2-NH2 3.26Å; Y430-R478 HydrophobicContact CG-CG 4Å
431	C	93.3	Very high	96	Very high	49 Å²	49	24.6 Å²	24.6	33%	0.331	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	126.2	166.6	-168.2	0	0	0	0	110.1	L423 T424 G429	L423-C431 WeakPolarHBondContact O-CA 3.42Å; T424-C431 HydrophobicContact CG2-CB 4.42Å; T424-C431 WeakPolarHBondContact OG1-CB 3.35Å; T424-C431 PolarHBondContact OG1-SG 3.15Å; G429-C431 PolarHBondContact O-N 3.16Å
432	S	92.6	Very high	96.1	Very high	5 Å²	5	25.7 Å²	25.7	4%	0.035	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.9	165.3	65.4	0	0	0	0	110	M1 L423	M1-S432 WeakPolarHBondContact CB-OG 3.28Å; L423-S432 PolarHBondContact N-O 3.23Å; L423-S432 PolarHBondContact O-N 3.39Å
433	T	94.3	Very high	96.2	Very high	11 Å²	11	24.9 Å²	24.9	7%	0.067	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	145.8	179.6	54.5	0	0	0	0	112.5	D392 K395 S421	D392-T433 WeakPolarHBondContact OD1-CB 3.42Å; D392-T433 WeakPolarHBondContact OD1-CG2 3.33Å; D392-T433 PolarHBondContact OD1-OG1 3.31Å; K395-T433 PolarHBondContact NZ-O 3.45Å; K395-T433 PolarHBondContact NZ-OG1 2.87Å; S421-T433 CarbonylContact O-C 3.59Å; S421-T433 VanDerWaalsContact O-CA 3.3Å; S421-T433 WeakPolarHBondContact O-CA 3.4Å
434	V	93.6	Very high	96.2	Very high	23 Å²	23	26.7 Å²	26.7	14%	0.139	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	146.1	173.5	176.3	0	0	0	0	108.8	S421	S421-V434 PolarHBondContact N-O 3.32Å; S421-V434 PolarHBondContact O-N 2.9Å
435	F	95.4	Very high	96.1	Very high	12 Å²	12	25.1 Å²	25.1	5%	0.053	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	109.4	-179.4	-63.1	-91.2	0	0	0	110	D392 K395 M399 Q418 L419 K420 Q492	D392-F435 HydrophobicContact CB-CZ 4.03Å; D392-F435 WeakPolarHBondContact O-CZ 3.39Å; K395-F435 HydrophobicContact CB-CE2 4.07Å; K395-F435 HydrophobicContact CD-CE2 3.97Å; K395-F435 HydrophobicContact CG-CD2 4.13Å; K395-F435 HydrophobicContact CG-CE2 3.84Å; M399-F435 HydrophobicContact CB-CB 3.99Å; M399-F435 HydrophobicContact CG-CB 4.29Å; M399-F435 HydrophobicContact CG-CD2 4.34Å; Q418-F435 HydrophobicContact CG-CB 4.18Å; L419-F435 CarbonylContact O-C 3.59Å; L419-F435 VanDerWaalsContact O-CA 3.26Å; L419-F435 WeakPolarHBondContact O-CA 3.48Å; K420-F435 HydrophobicContact CB-CD1 3.93Å; K420-F435 HydrophobicContact CB-CE1 3.62Å; K420-F435 HydrophobicContact CB-CZ 4.43Å; K420-F435 HydrophobicContact CD-CE1 3.92Å; K420-F435 HydrophobicContact CD-CZ 4.11Å; K420-F435 HydrophobicContact CG-CD1 4.3Å; K420-F435 HydrophobicContact CG-CE1 3.61Å; K420-F435 HydrophobicContact CG-CZ 3.94Å; F435-Q492 HydrophobicContact CD1-CB 4.06Å; F435-Q492 HydrophobicContact CD1-CG 3.88Å; F435-Q492 HydrophobicContact CE1-CB 4.18Å; F435-Q492 HydrophobicContact CE1-CG 3.79Å
436	D	94.7	Very high	95.8	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	139.4	-177.8	-54.9	-74.8	0	0	0	110.7	S6 T7 Q418 L419	S6-D436 VanDerWaalsContact CA-OD2 3.27Å; S6-D436 WeakPolarHBondContact CA-OD2 3.46Å; S6-D436 WeakPolarHBondContact CB-OD1 3.5Å; S6-D436 PolarHBondContact OG-OD1 3.43Å; T7-D436 VanDerWaalsContact N-CG 3.32Å; T7-D436 PolarHBondContact N-OD1 3.16Å; T7-D436 PolarHBondContact N-OD2 2.84Å; T7-D436 VanDerWaalsContact OG1-CB 3.3Å; T7-D436 WeakPolarHBondContact OG1-CB 3.48Å; T7-D436 PolarHBondContact OG1-OD2 3.16Å; Q418-D436 CarbonylContact C-O 3.58Å; Q418-D436 WeakPolarHBondContact CA-O 3.39Å; L419-D436 PolarHBondContact N-O 3.28Å; L419-D436 PolarHBondContact O-N 3.05Å
437	P	97.3	Very high	95.2	Very high	20 Å²	20	33.1 Å²	33.1	13%	0.13	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	151.7	165.9	31.2	-35.7	0	0	0	111.1	L8 Y403 V416 G417	L8-P437 HydrophobicContact CD1-CG 3.96Å; Y403-P437 HydrophobicContact CD1-CB 4.38Å; Y403-P437 HydrophobicContact CD2-CB 4.05Å; Y403-P437 HydrophobicContact CD2-CG 3.75Å; Y403-P437 HydrophobicContact CE1-CB 4.2Å; Y403-P437 HydrophobicContact CE2-CB 3.86Å; Y403-P437 HydrophobicContact CE2-CG 3.74Å; Y403-P437 HydrophobicContact CG-CB 4.32Å; Y403-P437 HydrophobicContact CG-CG 4.36Å; V416-P437 HydrophobicContact CG1-CB 3.8Å; G417-P437 CarbonylContact O-C 3.53Å; G417-P437 VanDerWaalsContact O-CA 3.31Å; G417-P437 WeakPolarHBondContact O-CA 3.44Å
438	F	97.5	Very high	94.4	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	143.8	171.9	71.8	-91.9	0	0	0	112	V416 G417 Q418 L419 L441 I491 P495 L498	V416-F438 WeakPolarHBondContact CA-O 3.46Å; G417-F438 VanDerWaalsContact CA-CE1 3.49Å; G417-F438 PolarHBondContact N-O 2.93Å; G417-F438 PolarHBondContact O-N 2.89Å; Q418-F438 VanDerWaalsContact N-CE1 3.28Å; L419-F438 HydrophobicContact CB-CD1 4.4Å; L419-F438 HydrophobicContact CD1-CB 4.42Å; L419-F438 HydrophobicContact CD1-CD1 4.23Å; L419-F438 HydrophobicContact CD1-CG 4.5Å; L419-F438 HydrophobicContact CD2-CD1 4.47Å; L419-F438 HydrophobicContact CD2-CE1 4.37Å; L419-F438 HydrophobicContact CG-CD1 3.63Å; L419-F438 HydrophobicContact CG-CE1 3.98Å; L419-F438 HydrophobicContact CG-CG 4.36Å; F438-L441 HydrophobicContact CB-CD2 4.39Å; F438-L441 HydrophobicContact CD1-CD2 4.23Å; F438-L441 HydrophobicContact CD2-CD2 3.48Å; F438-L441 VanDerWaalsContact CD2-CD2 3.48Å; F438-L441 HydrophobicContact CD2-CG 3.8Å; F438-L441 HydrophobicContact CE1-CD2 4.32Å; F438-L441 HydrophobicContact CE2-CD1 4.05Å; F438-L441 HydrophobicContact CE2-CD2 3.64Å; F438-L441 HydrophobicContact CE2-CG 3.6Å; F438-L441 HydrophobicContact CG-CD2 3.79Å; F438-L441 HydrophobicContact CZ-CD1 4.22Å; F438-L441 HydrophobicContact CZ-CD2 4.05Å; F438-L441 HydrophobicContact CZ-CG 4.2Å; F438-I491 HydrophobicContact CE1-CG2 4.36Å; F438-I491 HydrophobicContact CZ-CG2 4.42Å; F438-P495 HydrophobicContact CE2-CG 4.23Å; F438-P495 HydrophobicContact CZ-CG 4.42Å; F438-L498 HydrophobicContact CE2-CD1 3.89Å; F438-L498 HydrophobicContact CZ-CD1 4.44Å
439	W	97.5	Very high	93.4	Very high	35 Å²	35	38.8 Å²	38.8	13%	0.133	21%	0.206	C	C	.	.	S	Bend	trans	-103.3	-26.4	176.1	-63	84.7	0	0	0	112.5	Y11 L366 H370 I411 F415 V416	Y11-W439 AromaticContact CE1-CD1 3.92Å; L366-W439 HydrophobicContact CB-CE3 4.32Å; L366-W439 HydrophobicContact CD1-CE3 4.43Å; H370-W439 HydrophobicContact CB-CH2 3.92Å; H370-W439 AromaticContact CD2-CH2 3.4Å; H370-W439 VanDerWaalsContact CD2-CH2 3.4Å; H370-W439 WeakPolarHBondContact CD2-CH2 3.44Å; H370-W439 AromaticContact CD2-CZ2 3.28Å; H370-W439 WeakPolarHBondContact CD2-CZ2 3.49Å; H370-W439 AromaticContact CG-CH2 3.7Å; H370-W439 AromaticContact NE2-CZ2 3.84Å; I411-W439 HydrophobicContact CB-CZ3 4.48Å; I411-W439 HydrophobicContact CG2-CZ3 4.03Å; F415-W439 HydrophobicContact CB-CE3 3.75Å; F415-W439 HydrophobicContact CB-CZ3 4.13Å; V416-W439 HydrophobicContact CG2-CD2 3.53Å; V416-W439 VanDerWaalsContact CG2-CE2 3.45Å; V416-W439 HydrophobicContact CG2-CE3 3.56Å; V416-W439 HydrophobicContact CG2-CG 4.31Å; V416-W439 HydrophobicContact CG2-CH2 3.45Å; V416-W439 VanDerWaalsContact CG2-CH2 3.45Å; V416-W439 HydrophobicContact CG2-CZ2 3.42Å; V416-W439 VanDerWaalsContact CG2-CZ2 3.42Å; V416-W439 HydrophobicContact CG2-CZ3 3.51Å
440	D	98.3	Very high	92.4	Very high	5 Å²	5	47 Å²	47	3%	0.027	22%	0.221	C	C	.	.			trans	-142.3	158.4	170.6	79.9	-102	0	0	0	110.3	Y11 Q359 R363 S442 V499	Y11-D440 PolarHBondContact OH-O 2.77Å; Q359-D440 PolarHBondContact NE2-OD1 2.8Å; Q359-D440 PolarHBondContact NE2-OD2 2.85Å; R363-D440 WeakPolarHBondContact CD-OD1 3.42Å; R363-D440 IonicContact CZ-OD1 2.69Å; R363-D440 IonicContact NH1-OD1 2.65Å; R363-D440 PolarHBondContact NH1-OD1 2.77Å; D440-S442 PolarHBondContact OD2-N 3.44Å; D440-S442 PolarHBondContact OD2-OG 2.78Å; D440-V499 WeakPolarHBondContact CA-O 3.38Å; D440-V499 HydrophobicContact CB-CB 4.05Å; D440-V499 HydrophobicContact CB-CG1 4.09Å
441	L	98.1	Very high	92	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.016	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	107.9	166.2	-60.1	-179.7	0	0	0	110.1	L419 F438 L443 M459 F462 I491 L498 V499 L500 H501	L419-L441 HydrophobicContact CD1-CD2 3.96Å; L419-L441 HydrophobicContact CD2-CD2 4.2Å; L419-L441 HydrophobicContact CG-CD2 4.29Å; F438-L441 HydrophobicContact CB-CD2 4.39Å; F438-L441 HydrophobicContact CD1-CD2 4.23Å; F438-L441 HydrophobicContact CD2-CD2 3.48Å; F438-L441 VanDerWaalsContact CD2-CD2 3.48Å; F438-L441 HydrophobicContact CD2-CG 3.8Å; F438-L441 HydrophobicContact CE1-CD2 4.32Å; F438-L441 HydrophobicContact CE2-CD1 4.05Å; F438-L441 HydrophobicContact CE2-CD2 3.64Å; F438-L441 HydrophobicContact CE2-CG 3.6Å; F438-L441 HydrophobicContact CG-CD2 3.79Å; F438-L441 HydrophobicContact CZ-CD1 4.22Å; F438-L441 HydrophobicContact CZ-CD2 4.05Å; F438-L441 HydrophobicContact CZ-CG 4.2Å; L441-L443 HydrophobicContact CB-CD2 3.91Å; L441-L443 PolarHBondContact O-N 2.85Å; L441-M459 HydrophobicContact CD1-CE 4.26Å; L441-F462 HydrophobicContact CD2-CE1 4.2Å; L441-F462 HydrophobicContact CD2-CZ 3.97Å; L441-I491 HydrophobicContact CD1-CD1 4.06Å; L441-L498 HydrophobicContact CD1-CD1 4.18Å; L441-L498 HydrophobicContact CG-CD1 4.4Å; L441-V499 PolarHBondContact N-O 2.83Å; L441-L500 HydrophobicContact CB-CD2 3.82Å; L441-L500 HydrophobicContact CD1-CD2 4.06Å; L441-L500 HydrophobicContact CG-CD2 4.31Å; L441-H501 PolarHBondContact O-N 3.04Å
442	S	97.9	Very high	92	Very high	23 Å²	23	52.5 Å²	52.5	16%	0.161	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	90	175.4	-55.5	0	0	0	0	111.5	Q359 D440 H501 K503	Q359-S442 PolarHBondContact NE2-OG 3.42Å; D440-S442 PolarHBondContact OD2-N 3.44Å; D440-S442 PolarHBondContact OD2-OG 2.78Å; S442-H501 CarbonylContact C-O 3.52Å; S442-H501 WeakPolarHBondContact CA-O 3.49Å; S442-H501 VanDerWaalsContact CB-ND1 3.32Å; S442-H501 WeakPolarHBondContact CB-ND1 3.3Å; S442-H501 PolarHBondContact OG-ND1 3.03Å; S442-K503 WeakPolarHBondContact O-CE 3.46Å; S442-K503 PolarHBondContact O-NZ 2.82Å
443	L	97.7	Very high	92.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	133.8	-173	-51	-177.5	0	0	0	112.6	L441 L455 C458 M459 F462 L500 H501 L502 K503	L441-L443 HydrophobicContact CB-CD2 3.91Å; L441-L443 PolarHBondContact O-N 2.85Å; L443-L455 HydrophobicContact CD1-CD1 3.74Å; L443-C458 HydrophobicContact CB-CB 4.17Å; L443-C458 HydrophobicContact CD1-CB 4.18Å; L443-M459 HydrophobicContact CD1-CG 4.06Å; L443-M459 HydrophobicContact CD1-SD 3.59Å; L443-M459 VanDerWaalsContact CD1-SD 3.59Å; L443-M459 HydrophobicContact CD2-SD 3.52Å; L443-M459 VanDerWaalsContact CD2-SD 3.52Å; L443-M459 HydrophobicContact CG-SD 4.21Å; L443-F462 HydrophobicContact CD2-CB 3.89Å; L443-F462 HydrophobicContact CD2-CD1 4.46Å; L443-F462 HydrophobicContact CD2-CD2 4.14Å; L443-F462 HydrophobicContact CD2-CG 3.91Å; L443-L500 HydrophobicContact CD1-CB 4.3Å; L443-L500 HydrophobicContact CD1-CD1 4.48Å; L443-L500 HydrophobicContact CD1-CD2 4.39Å; L443-H501 PolarHBondContact N-O 2.74Å; L443-L502 HydrophobicContact CD1-CD2 4.48Å; L443-K503 VanDerWaalsContact O-CB 3.26Å; L443-K503 WeakPolarHBondContact O-CB 3.48Å; L443-K503 WeakPolarHBondContact O-CG 3.24Å; L443-K503 PolarHBondContact O-N 2.98Å
444	P	96.3	Very high	92.3	Very high	38 Å²	38	54.1 Å²	54.1	25%	0.247	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	138.3	167	32.2	-32.8	0	0	0	110.4	L461	P444-L461 HydrophobicContact CB-CD2 3.98Å; P444-L461 HydrophobicContact CB-CG 4.26Å; P444-L461 HydrophobicContact CG-CB 4.09Å; P444-L461 HydrophobicContact CG-CD2 3.93Å; P444-L461 HydrophobicContact CG-CG 3.7Å
445	I	94.9	Very high	92.5	Very high	15 Å²	15	53.1 Å²	53.1	8%	0.077	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-81.7	129.2	178	-58.3	177.1	0	0	0	109.7	L502 R504 L515 T517 V519	I445-L502 HydrophobicContact CD1-CB 4.21Å; I445-L502 HydrophobicContact CG1-CB 4.4Å; I445-R504 HydrophobicContact CD1-CB 4.49Å; I445-R504 HydrophobicContact CD1-CG 3.67Å; I445-L515 HydrophobicContact CB-CD1 4.25Å; I445-L515 HydrophobicContact CD1-CB 4.27Å; I445-L515 HydrophobicContact CD1-CD1 4.3Å; I445-T517 HydrophobicContact CG2-CG2 4.01Å; I445-V519 HydrophobicContact CG2-CG2 4.03Å
446	A	90.9	Very high	92.6	Very high	10 Å²	10	54.5 Å²	54.5	8%	0.083	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-65.2	137.2	177.3	0	0	0	0	0	111.6	R448 V453 D457 L461	A446-R448 VanDerWaalsContact C-N 3.3Å; A446-R448 PolarHBondContact O-N 2.87Å; A446-V453 HydrophobicContact CB-CG1 4.01Å; A446-V453 HydrophobicContact CB-CG2 4.43Å; A446-V453 WeakPolarHBondContact O-CG2 3.49Å; A446-D457 HydrophobicContact CB-CB 4.22Å; A446-L461 HydrophobicContact CB-CD2 4.42Å
447	K	85.8	Confident	92.7	Very high	210 Å²	210	56.2 Å²	56.2	91%	0.913	27%	0.273	S	S	*	.	S	Bend	trans	-73.1	-21	-177.1	-66.2	-176	179.5	179.4	0	113.9
448	R	80.4	Confident	92.7	Very high	233 Å²	233	55.2 Å²	55.2	88%	0.879	27%	0.267	S	S	*	.			trans	-151.5	144.9	176.8	-64.3	-175.3	-179.1	171.7	-0.7	108.1	A446	A446-R448 VanDerWaalsContact C-N 3.3Å; A446-R448 PolarHBondContact O-N 2.87Å
449	G	74.4	Confident	92.7	Very high	29 Å²	29	55.2 Å²	55.2	30%	0.299	27%	0.267	S	S	.	.			trans	-140.9	167.5	162.9	0	0	0	0	0	107.9	E452	G449-E452 CarbonylContact C-O 3.56Å; G449-E452 VanDerWaalsContact C-O 3.26Å; G449-E452 VanDerWaalsContact CA-O 3.25Å; G449-E452 WeakPolarHBondContact CA-O 3.41Å
450	Y	75.9	Confident	92.7	Very high	230 Å²	230	58.3 Å²	58.3	90%	0.902	28%	0.279	S	S	*	.	S	Bend	trans	-140.3	118.6	-177.2	-171.6	-95.3	0	0	0	109.7	E452	Y450-E452 VanDerWaalsContact C-N 3.34Å; Y450-E452 PolarHBondContact N-O 3.3Å
451	P	84.8	Confident	92.6	Very high	124 Å²	124	61.6 Å²	61.6	81%	0.805	30%	0.296	S	S	*	.	S	Bend	cis	-71.8	-19	2.8	30.7	-36.4	0	0	0	114.4
452	E	93.2	Very high	92.5	Very high	71 Å²	71	62.7 Å²	62.7	33%	0.332	30%	0.301	S	S	.	.	S	Bend	trans	-144.9	173.8	-177.6	64.9	-175.5	165.3	0	0	111.2	G449 Y450 F518 N520	G449-E452 CarbonylContact C-O 3.56Å; G449-E452 VanDerWaalsContact C-O 3.26Å; G449-E452 VanDerWaalsContact CA-O 3.25Å; G449-E452 WeakPolarHBondContact CA-O 3.41Å; Y450-E452 VanDerWaalsContact C-N 3.34Å; Y450-E452 PolarHBondContact N-O 3.3Å; E452-F518 WeakPolarHBondContact OE2-CD1 3.23Å; E452-F518 VanDerWaalsContact OE2-CE1 3.25Å; E452-F518 WeakPolarHBondContact OE2-CE1 3.33Å; E452-N520 HydrophobicContact CG-CB 4.32Å; E452-N520 WeakPolarHBondContact OE1-CB 3.47Å; E452-N520 PolarHBondContact OE1-ND2 2.82Å
453	V	96.3	Very high	92.5	Very high	10 Å²	10	62.6 Å²	62.6	6%	0.061	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	125.2	174.1	173	0	0	0	0	109.6	A446 T517 V519 N520	A446-V453 HydrophobicContact CB-CG1 4.01Å; A446-V453 HydrophobicContact CB-CG2 4.43Å; A446-V453 WeakPolarHBondContact O-CG2 3.49Å; V453-T517 HydrophobicContact CB-CG2 4.39Å; V453-T517 HydrophobicContact CG2-CG2 4.16Å; V453-V519 HydrophobicContact CG1-CG2 4.18Å; V453-V519 CarbonylContact O-C 3.54Å; V453-V519 WeakPolarHBondContact O-CA 3.49Å; V453-N520 PolarHBondContact O-N 3.4Å
454	T	97.5	Very high	92.4	Very high	41 Å²	41	69.3 Å²	69.3	25%	0.252	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	161.5	175.1	75.2	0	0	0	0	112.4	M456 D457 C458 N520	T454-M456 PolarHBondContact O-N 3.04Å; T454-M456 PolarHBondContact OG1-N 3.1Å; T454-D457 WeakPolarHBondContact CB-OD2 3.28Å; T454-D457 PolarHBondContact N-OD2 2.77Å; T454-D457 PolarHBondContact O-N 3.2Å; T454-D457 VanDerWaalsContact O-N 3.1Å; T454-D457 PolarHBondContact OG1-N 3.23Å; T454-D457 PolarHBondContact OG1-OD2 3.03Å; T454-C458 PolarHBondContact O-N 2.92Å; T454-N520 CarbonylContact C-O 3.57Å; T454-N520 WeakPolarHBondContact CA-O 3.41Å
455	L	97.9	Very high	92.4	Very high	1 Å²	1	72 Å²	72	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-57.8	-33.9	169.7	-177.8	62.5	0	0	0	112.1	L443 D457 C458 M459 L500 L502 V519 N520 F521 L526 L594 Y596	L443-L455 HydrophobicContact CD1-CD1 3.74Å; L455-D457 VanDerWaalsContact C-N 3.29Å; L455-D457 PolarHBondContact O-N 3.31Å; L455-C458 WeakPolarHBondContact O-CB 3.34Å; L455-C458 PolarHBondContact O-N 3.4Å; L455-M459 WeakPolarHBondContact O-CG 3.4Å; L455-M459 PolarHBondContact O-N 3.36Å; L455-L500 HydrophobicContact CD1-CD1 4.09Å; L455-L500 HydrophobicContact CD2-CD1 3.88Å; L455-L500 HydrophobicContact CG-CD1 4.35Å; L455-L502 HydrophobicContact CD1-CD2 4.14Å; L455-V519 HydrophobicContact CB-CG1 4.46Å; L455-N520 PolarHBondContact N-O 3.07Å; L455-F521 HydrophobicContact CB-CB 3.99Å; L455-F521 HydrophobicContact CD2-CB 3.88Å; L455-F521 HydrophobicContact CG-CB 4.48Å; L455-L526 HydrophobicContact CD2-CD1 4.31Å; L455-L526 HydrophobicContact CD2-CD2 3.85Å; L455-L594 HydrophobicContact CD1-CD1 4Å; L455-L594 HydrophobicContact CD2-CD1 4.03Å; L455-Y596 HydrophobicContact CD2-CE2 3.9Å; L455-Y596 WeakPolarHBondContact CD2-OH 3.36Å
456	M	97.3	Very high	92.4	Very high	41 Å²	41	75.7 Å²	75.7	20%	0.202	36%	0.357	C	S	.	.	H	α-helix	trans	-65.5	-32.6	176.7	-63.3	-61.9	-77.8	0	0	111.7	T454 M459 R460 L526 D527 L528 F531	T454-M456 PolarHBondContact O-N 3.04Å; T454-M456 PolarHBondContact OG1-N 3.1Å; M456-M459 PolarHBondContact O-N 3.39Å; M456-R460 WeakPolarHBondContact O-CB 3.49Å; M456-R460 VanDerWaalsContact O-CG 3.23Å; M456-R460 WeakPolarHBondContact O-CG 3.29Å; M456-R460 PolarHBondContact O-N 3.18Å; M456-L526 HydrophobicContact SD-CD1 3.78Å; M456-D527 WeakPolarHBondContact CE-O 3.4Å; M456-L528 HydrophobicContact SD-CD2 4.29Å; M456-F531 HydrophobicContact CE-CE2 3.52Å; M456-F531 HydrophobicContact CE-CZ 3.77Å; M456-F531 HydrophobicContact SD-CE2 3.86Å; M456-F531 HydrophobicContact SD-CZ 4.3Å
457	D	97.2	Very high	92.7	Very high	40 Å²	40	79 Å²	79	21%	0.214	38%	0.376	C	S	.	.	H	α-helix	trans	-73.6	-33.7	176.7	-52.3	-47.4	0	0	0	111.9	A446 T454 L455 R460 L461	A446-D457 HydrophobicContact CB-CB 4.22Å; T454-D457 WeakPolarHBondContact CB-OD2 3.28Å; T454-D457 PolarHBondContact N-OD2 2.77Å; T454-D457 PolarHBondContact O-N 3.2Å; T454-D457 VanDerWaalsContact O-N 3.1Å; T454-D457 PolarHBondContact OG1-N 3.23Å; T454-D457 PolarHBondContact OG1-OD2 3.03Å; L455-D457 VanDerWaalsContact C-N 3.29Å; L455-D457 PolarHBondContact O-N 3.31Å; D457-R460 IonicContact OD1-NH1 3.48Å; D457-R460 PolarHBondContact OD1-NH1 3.03Å; D457-L461 VanDerWaalsContact O-CB 3.29Å; D457-L461 WeakPolarHBondContact O-CB 3.26Å; D457-L461 PolarHBondContact O-N 3.07Å
458	C	97.8	Very high	93.2	Very high	0 Å²	0	70 Å²	70	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-66.6	-38.7	170.2	-60.6	0	0	0	0	111.9	L443 T454 L455 L461 F462	L443-C458 HydrophobicContact CB-CB 4.17Å; L443-C458 HydrophobicContact CD1-CB 4.18Å; T454-C458 PolarHBondContact O-N 2.92Å; L455-C458 WeakPolarHBondContact O-CB 3.34Å; L455-C458 PolarHBondContact O-N 3.4Å; C458-L461 PolarHBondContact O-N 2.87Å; C458-F462 PolarHBondContact O-N 3.09Å
459	M	97.4	Very high	93.8	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-66.2	-46.5	172.8	-71.9	-65.8	-65.8	0	0	111.8	L441 L443 L455 M456 L461 F462 T463 I491 L500 L528 F531	L441-M459 HydrophobicContact CD1-CE 4.26Å; L443-M459 HydrophobicContact CD1-CG 4.06Å; L443-M459 HydrophobicContact CD1-SD 3.59Å; L443-M459 VanDerWaalsContact CD1-SD 3.59Å; L443-M459 HydrophobicContact CD2-SD 3.52Å; L443-M459 VanDerWaalsContact CD2-SD 3.52Å; L443-M459 HydrophobicContact CG-SD 4.21Å; L455-M459 WeakPolarHBondContact O-CG 3.4Å; L455-M459 PolarHBondContact O-N 3.36Å; M456-M459 PolarHBondContact O-N 3.39Å; M459-L461 VanDerWaalsContact C-N 3.29Å; M459-L461 PolarHBondContact O-N 3.11Å; M459-F462 WeakPolarHBondContact O-CA 3.47Å; M459-F462 WeakPolarHBondContact O-CB 3.32Å; M459-F462 PolarHBondContact O-N 3.12Å; M459-T463 PolarHBondContact O-N 3.33Å; M459-T463 PolarHBondContact O-OG1 2.88Å; M459-I491 HydrophobicContact CE-CD1 4.11Å; M459-L500 HydrophobicContact SD-CD2 4.26Å; M459-L528 HydrophobicContact CE-CD2 4.31Å; M459-F531 HydrophobicContact CB-CD1 4.35Å; M459-F531 HydrophobicContact CB-CD2 3.94Å; M459-F531 HydrophobicContact CB-CE1 3.89Å; M459-F531 HydrophobicContact CB-CE2 3.41Å; M459-F531 VanDerWaalsContact CB-CE2 3.41Å; M459-F531 HydrophobicContact CB-CG 4.38Å; M459-F531 HydrophobicContact CB-CZ 3.38Å; M459-F531 HydrophobicContact CE-CB 4.31Å; M459-F531 HydrophobicContact CE-CD2 3.68Å; M459-F531 HydrophobicContact CE-CE2 4.27Å; M459-F531 HydrophobicContact CE-CG 4.02Å; M459-F531 HydrophobicContact CG-CD2 4.36Å; M459-F531 HydrophobicContact CG-CE2 3.98Å; M459-F531 HydrophobicContact CG-CZ 4.42Å
460	R	97.1	Very high	94.8	Very high	100 Å²	100	62.6 Å²	62.6	38%	0.377	32%	0.319	S	S	.	.	H	α-helix	trans	-57.1	-40.8	173.2	-75.4	167.2	-172.2	135.1	8	112.2	M456 D457 F462 T463 K464 E530 F531	M456-R460 WeakPolarHBondContact O-CB 3.49Å; M456-R460 VanDerWaalsContact O-CG 3.23Å; M456-R460 WeakPolarHBondContact O-CG 3.29Å; M456-R460 PolarHBondContact O-N 3.18Å; D457-R460 IonicContact OD1-NH1 3.48Å; D457-R460 PolarHBondContact OD1-NH1 3.03Å; R460-F462 VanDerWaalsContact C-N 3.29Å; R460-F462 PolarHBondContact O-N 3.14Å; R460-T463 PolarHBondContact O-N 3.34Å; R460-K464 WeakPolarHBondContact O-CA 3.49Å; R460-K464 VanDerWaalsContact O-CB 3.32Å; R460-K464 WeakPolarHBondContact O-CB 3.49Å; R460-K464 PolarHBondContact O-N 3.41Å; R460-E530 WeakPolarHBondContact CD-OE1 3.27Å; R460-E530 VanDerWaalsContact CG-OE1 3.23Å; R460-E530 WeakPolarHBondContact CG-OE1 3.49Å; R460-E530 IonicContact CZ-OE1 3.66Å; R460-E530 IonicContact CZ-OE2 3.01Å; R460-E530 IonicContact NE-OE1 3.72Å; R460-E530 PolarHBondContact NE-OE1 2.92Å; R460-E530 IonicContact NE-OE2 2.76Å; R460-E530 PolarHBondContact NE-OE2 3.47Å; R460-E530 IonicContact NH2-OE1 3.4Å; R460-E530 IonicContact NH2-OE2 3.74Å; R460-E530 PolarHBondContact NH2-OE2 3.22Å; R460-F531 HydrophobicContact CG-CE1 3.78Å; R460-F531 HydrophobicContact CG-CZ 4.07Å
461	L	96.1	Very high	95.6	Very high	75 Å²	75	58.8 Å²	58.8	39%	0.393	31%	0.314	S	S	.	.	H	α-helix	trans	-70.7	-25.3	176.9	-172.4	60.6	0	0	0	112.6	P444 A446 D457 C458 M459	P444-L461 HydrophobicContact CB-CD2 3.98Å; P444-L461 HydrophobicContact CB-CG 4.26Å; P444-L461 HydrophobicContact CG-CB 4.09Å; P444-L461 HydrophobicContact CG-CD2 3.93Å; P444-L461 HydrophobicContact CG-CG 3.7Å; A446-L461 HydrophobicContact CB-CD2 4.42Å; D457-L461 VanDerWaalsContact O-CB 3.29Å; D457-L461 WeakPolarHBondContact O-CB 3.26Å; D457-L461 PolarHBondContact O-N 3.07Å; C458-L461 PolarHBondContact O-N 2.87Å; M459-L461 VanDerWaalsContact C-N 3.29Å; M459-L461 PolarHBondContact O-N 3.11Å
462	F	96.5	Very high	96	Very high	26 Å²	26	59.7 Å²	59.7	11%	0.114	31%	0.308	C	S	.	.	H	α-helix	trans	-76.6	-39.2	172.4	177.9	-93.6	0	0	0	112.9	L419 L441 L443 C458 M459 R460 F489	L419-F462 HydrophobicContact CD1-CE1 4.42Å; L419-F462 HydrophobicContact CD1-CZ 3.98Å; L419-F462 HydrophobicContact CD2-CE1 3.95Å; L419-F462 HydrophobicContact CD2-CZ 4.34Å; L441-F462 HydrophobicContact CD2-CE1 4.2Å; L441-F462 HydrophobicContact CD2-CZ 3.97Å; L443-F462 HydrophobicContact CD2-CB 3.89Å; L443-F462 HydrophobicContact CD2-CD1 4.46Å; L443-F462 HydrophobicContact CD2-CD2 4.14Å; L443-F462 HydrophobicContact CD2-CG 3.91Å; C458-F462 PolarHBondContact O-N 3.09Å; M459-F462 WeakPolarHBondContact O-CA 3.47Å; M459-F462 WeakPolarHBondContact O-CB 3.32Å; M459-F462 PolarHBondContact O-N 3.12Å; R460-F462 VanDerWaalsContact C-N 3.29Å; R460-F462 PolarHBondContact O-N 3.14Å; F462-F489 HydrophobicContact CE1-CB 4.27Å
463	T	96.4	Very high	96.1	Very high	20 Å²	20	59.1 Å²	59.1	12%	0.123	30%	0.304	C	S	.	.	H	α-helix	trans	-90.5	-6.5	-179.9	57.4	0	0	0	0	114.4	M459 R460 F489 F531	M459-T463 PolarHBondContact O-N 3.33Å; M459-T463 PolarHBondContact O-OG1 2.88Å; R460-T463 PolarHBondContact O-N 3.34Å; T463-F489 WeakPolarHBondContact CB-O 3.14Å; T463-F489 WeakPolarHBondContact CG2-O 3.41Å; T463-F531 HydrophobicContact CG2-CB 4.07Å; T463-F531 HydrophobicContact CG2-CD1 3.87Å; T463-F531 HydrophobicContact CG2-CG 4.26Å; T463-F531 WeakPolarHBondContact OG1-CD1 3.23Å
464	K	96.5	Very high	96	Very high	142 Å²	142	58.8 Å²	58.8	62%	0.617	30%	0.302	S	S	*	.	S	Bend	trans	-52.6	142.7	-179.5	-161.1	-170.4	170.3	-170	0	111.4	R460 D466	R460-K464 WeakPolarHBondContact O-CA 3.49Å; R460-K464 VanDerWaalsContact O-CB 3.32Å; R460-K464 WeakPolarHBondContact O-CB 3.49Å; R460-K464 PolarHBondContact O-N 3.41Å; K464-D466 PolarHBondContact O-N 3.19Å
465	E	96.6	Very high	95.9	Very high	94 Å²	94	60.7 Å²	60.7	44%	0.439	31%	0.314	S	S	.	.			trans	-63.7	124	165.6	-75.7	170.4	-147.2	0	0	110.9	I486 K487 K488	E465-I486 HydrophobicContact CB-CG2 3.79Å; E465-I486 HydrophobicContact CG-CG2 3.9Å; E465-K487 WeakPolarHBondContact CA-O 3.41Å; E465-K488 HydrophobicContact CG-CB 4.05Å; E465-K488 HydrophobicContact CG-CD 3.65Å; E465-K488 HydrophobicContact CG-CG 3.82Å; E465-K488 WeakPolarHBondContact OE1-CD 3.44Å; E465-K488 VanDerWaalsContact OE1-CE 3.31Å; E465-K488 WeakPolarHBondContact OE1-CE 3.27Å; E465-K488 IonicContact OE1-NZ 2.76Å; E465-K488 PolarHBondContact OE1-NZ 2.86Å
466	D	94.8	Very high	95.8	Very high	93 Å²	93	60.7 Å²	60.7	50%	0.497	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139.2	-177	-174.1	26.3	0	0	0	109.9	K464 I486 K487	K464-D466 PolarHBondContact O-N 3.19Å; D466-I486 CarbonylContact O-C 3.57Å; D466-I486 WeakPolarHBondContact O-CA 3.34Å; D466-K487 PolarHBondContact N-O 2.98Å; D466-K487 PolarHBondContact O-N 2.89Å
467	V	96.9	Very high	95.5	Very high	79 Å²	79	62.2 Å²	62.2	48%	0.479	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	97.9	-166.9	-175.5	0	0	0	0	110.1	D469 R484	V467-D469 HydrophobicContact CG1-CB 4.49Å; V467-D469 PolarHBondContact O-N 3.43Å; V467-R484 HydrophobicContact CG1-CG 4.12Å
468	L	95.6	Very high	95.3	Very high	22 Å²	22	68.6 Å²	68.6	12%	0.115	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	87.7	179.3	-53.4	-176.7	0	0	0	109.8	L423 E472 P474 R484 C485 K487	L423-L468 HydrophobicContact CD1-CD1 3.94Å; L468-E472 HydrophobicContact CD2-CB 4.45Å; L468-P474 HydrophobicContact CD1-CG 4.36Å; L468-R484 WeakPolarHBondContact O-CA 3.47Å; L468-C485 PolarHBondContact N-O 3.18Å; L468-C485 PolarHBondContact O-N 2.9Å; L468-K487 HydrophobicContact CD1-CB 4.3Å; L468-K487 HydrophobicContact CD1-CD 4.5Å; L468-K487 HydrophobicContact CG-CB 4.48Å
469	D	94.5	Very high	95.2	Very high	63 Å²	63	70.6 Å²	70.6	34%	0.337	36%	0.362	S	S	.	.			trans	-114.4	-169	175.8	-152.5	-26.6	0	0	0	110.3	V467 D471 E472 K473 R484	V467-D469 HydrophobicContact CG1-CB 4.49Å; V467-D469 PolarHBondContact O-N 3.43Å; D469-D471 PolarHBondContact O-N 3.48Å; D469-E472 PolarHBondContact O-N 3.06Å; D469-K473 PolarHBondContact O-N 3.34Å; D469-K473 WeakPolarHBondContact OD1-CE 3.35Å; D469-K473 IonicContact OD1-NZ 3.44Å; D469-K473 PolarHBondContact OD1-NZ 2.93Å; D469-R484 HydrophobicContact CB-CG 4.15Å; D469-R484 VanDerWaalsContact OD2-CD 3.22Å; D469-R484 WeakPolarHBondContact OD2-CD 3.45Å; D469-R484 IonicContact OD2-NH1 3.29Å
470	G	94.3	Very high	95	Very high	42 Å²	42	81.6 Å²	81.6	43%	0.433	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	52.5	-126.3	177.2	0	0	0	0	0	113.3	E472 K473	G470-E472 VanDerWaalsContact C-N 3.33Å; G470-K473 WeakPolarHBondContact O-CG 3.37Å
471	D	93.2	Very high	95	Very high	150 Å²	150	78 Å²	78	80%	0.802	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-79.6	-8.5	177.6	-70.7	-45.9	0	0	0	114.3	D469 R482	D469-D471 PolarHBondContact O-N 3.48Å; D471-R482 VanDerWaalsContact C-NH2 3.32Å; D471-R482 PolarHBondContact O-NH2 3.19Å
472	E	93.3	Very high	95	Very high	143 Å²	143	80.6 Å²	80.6	67%	0.668	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-93.7	-6.2	179.2	-61.1	-170.9	100.8	0	0	113	L468 D469 G470 P474	L468-E472 HydrophobicContact CD2-CB 4.45Å; D469-E472 PolarHBondContact O-N 3.06Å; G470-E472 VanDerWaalsContact C-N 3.33Å; E472-P474 WeakPolarHBondContact O-CD 3.48Å; E472-P474 VanDerWaalsContact O-N 3.14Å
473	K	95.4	Very high	95.1	Very high	59 Å²	59	82.3 Å²	82.3	26%	0.257	41%	0.41	S	S	.	.			trans	-45.8	113.9	178.1	-76.9	-174.5	175.5	95.5	0	113.4	D469 G470 R482 K483	D469-K473 PolarHBondContact O-N 3.34Å; D469-K473 WeakPolarHBondContact OD1-CE 3.35Å; D469-K473 IonicContact OD1-NZ 3.44Å; D469-K473 PolarHBondContact OD1-NZ 2.93Å; G470-K473 WeakPolarHBondContact O-CG 3.37Å; K473-R482 HydrophobicContact CB-CB 4.18Å; K473-R482 VanDerWaalsContact O-CZ 3.31Å; K473-R482 PolarHBondContact O-NE 2.9Å; K473-R482 PolarHBondContact O-NH2 3.47Å; K473-K483 WeakPolarHBondContact CB-O 3.47Å
474	P	94.7	Very high	95.1	Very high	4 Å²	4	86.4 Å²	86.4	3%	0.026	42%	0.423	C	S	.	.			trans	-73.9	154.8	174.3	31.8	-37.6	0	0	0	111.9	L4 L423 L468 E472 C476 R482 K483 C485	L4-P474 HydrophobicContact CD1-CB 3.61Å; L423-P474 HydrophobicContact CD1-CG 4.46Å; L423-P474 HydrophobicContact CD2-CB 4.39Å; L423-P474 HydrophobicContact CD2-CG 4.25Å; L468-P474 HydrophobicContact CD1-CG 4.36Å; E472-P474 WeakPolarHBondContact O-CD 3.48Å; E472-P474 VanDerWaalsContact O-N 3.14Å; P474-C476 PolarHBondContact O-N 2.91Å; P474-R482 WeakPolarHBondContact O-CA 3.46Å; P474-K483 WeakPolarHBondContact CD-O 3.18Å; P474-K483 PolarHBondContact O-N 2.88Å; P474-C485 HydrophobicContact CG-CB 3.7Å; P474-C485 VanDerWaalsContact CG-SG 3.51Å
475	T	95	Very high	95.1	Very high	81 Å²	81	79.7 Å²	79.7	50%	0.497	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	111.2	171.8	-54	0	0	0	0	110.4	M1 G481	M1-T475 WeakPolarHBondContact CG-O 3.43Å; T475-G481 WeakPolarHBondContact CA-O 3.48Å
476	C	94.7	Very high	95.2	Very high	0 Å²	0	77.8 Å²	77.8	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	127.7	174.9	177.9	0	0	0	0	110.5	M1 C425 P474 C479 R480 G481 K483	M1-C476 HydrophobicContact CE-CB 4.48Å; M1-C476 HydrophobicContact SD-CB 4.06Å; C425-C476 HydrophobicContact CB-CB 4.34Å; C425-C476 VanDerWaalsContact SG-SG 3.61Å; P474-C476 PolarHBondContact O-N 2.91Å; C476-C479 HydrophobicContact CB-CB 4.15Å; C476-R480 WeakPolarHBondContact O-CA 3.08Å; C476-R480 PolarHBondContact O-N 2.68Å; C476-G481 PolarHBondContact N-O 3.32Å; C476-G481 PolarHBondContact O-N 2.9Å; C476-K483 HydrophobicContact CB-CB 4.14Å; C476-K483 HydrophobicContact CB-CG 4.02Å
477	C	91.4	Very high	95.3	Very high	74 Å²	74	74.8 Å²	74.8	50%	0.5	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-38.8	-178	49.2	0	0	0	0	113.1	Y430 R480	Y430-C477 VanDerWaalsContact CE1-SG 3.57Å; C477-R480 PolarHBondContact O-N 3.42Å
478	R	93.1	Very high	95.2	Very high	174 Å²	174	75.4 Å²	75.4	66%	0.657	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-42.1	178	-63.3	-158.6	-173.4	-167.3	-1	112.3	Y430 R480	Y430-R478 HydrophobicContact CD1-CG 3.99Å; Y430-R478 VanDerWaalsContact CE2-NH2 3.26Å; Y430-R478 HydrophobicContact CG-CG 4Å; R478-R480 VanDerWaalsContact C-N 3.31Å; R478-R480 PolarHBondContact O-N 2.86Å
479	C	94.9	Very high	95.3	Very high	41 Å²	41	75.8 Å²	75.8	28%	0.277	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-8.3	175.9	-58.9	0	0	0	0	114.5	C428 C476 G481 K483	C428-C479 PolarHBondContact SG-SG 3.04Å; C476-C479 HydrophobicContact CB-CB 4.15Å; C479-G481 PolarHBondContact O-N 3.45Å; C479-G481 VanDerWaalsContact O-N 3.16Å; C479-K483 HydrophobicContact CB-CD 4.35Å; C479-K483 HydrophobicContact CB-CG 3.78Å
480	R	95.1	Very high	95.3	Very high	231 Å²	231	73.8 Å²	73.8	87%	0.872	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	34.9	-175.9	-56.1	-176.3	-179	-173.8	0.6	114.7	C476 C477 R478	C476-R480 WeakPolarHBondContact O-CA 3.08Å; C476-R480 PolarHBondContact O-N 2.68Å; C477-R480 PolarHBondContact O-N 3.42Å; R478-R480 VanDerWaalsContact C-N 3.31Å; R478-R480 PolarHBondContact O-N 2.86Å
481	G	95.6	Very high	95.4	Very high	24 Å²	24	71.9 Å²	71.9	25%	0.247	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	169.5	-176.3	0	0	0	0	0	113.9	T475 C476 C479 K483	T475-G481 WeakPolarHBondContact CA-O 3.48Å; C476-G481 PolarHBondContact N-O 3.32Å; C476-G481 PolarHBondContact O-N 2.9Å; C479-G481 PolarHBondContact O-N 3.45Å; C479-G481 VanDerWaalsContact O-N 3.16Å; G481-K483 PolarHBondContact O-N 2.93Å
482	R	97	Very high	95.6	Very high	130 Å²	130	65.5 Å²	65.5	49%	0.491	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	114.8	176.1	-64.1	-166	71.5	-166.5	4.8	110	D471 K473 P474	D471-R482 VanDerWaalsContact C-NH2 3.32Å; D471-R482 PolarHBondContact O-NH2 3.19Å; K473-R482 HydrophobicContact CB-CB 4.18Å; K473-R482 VanDerWaalsContact O-CZ 3.31Å; K473-R482 PolarHBondContact O-NE 2.9Å; K473-R482 PolarHBondContact O-NH2 3.47Å; P474-R482 WeakPolarHBondContact O-CA 3.46Å
483	K	97.3	Very high	95.7	Very high	63 Å²	63	63.4 Å²	63.4	27%	0.274	29%	0.288	S	S	.	.			trans	-123.1	159.9	-177.8	-65.8	-52.2	-154.7	160.7	0	110.8	D427 K473 P474 C476 C479 G481	D427-K483 HydrophobicContact CB-CD 4.24Å; D427-K483 HydrophobicContact CB-CG 4.43Å; D427-K483 VanDerWaalsContact OD2-CD 3.24Å; D427-K483 WeakPolarHBondContact OD2-CD 3.49Å; D427-K483 WeakPolarHBondContact OD2-CE 3.37Å; D427-K483 IonicContact OD2-NZ 3.07Å; D427-K483 PolarHBondContact OD2-NZ 3.3Å; K473-K483 WeakPolarHBondContact CB-O 3.47Å; P474-K483 WeakPolarHBondContact CD-O 3.18Å; P474-K483 PolarHBondContact O-N 2.88Å; C476-K483 HydrophobicContact CB-CB 4.14Å; C476-K483 HydrophobicContact CB-CG 4.02Å; C479-K483 HydrophobicContact CB-CD 4.35Å; C479-K483 HydrophobicContact CB-CG 3.78Å; G481-K483 PolarHBondContact O-N 2.93Å
484	R	97.5	Very high	95.7	Very high	106 Å²	106	62.3 Å²	62.3	40%	0.4	28%	0.283	S	S	.	.			trans	-72.5	133.2	168.6	176.1	-176.1	60.4	-148.9	-5.1	108.4	T426 V467 L468 D469	T426-R484 HydrophobicContact CG2-CG 4.15Å; T426-R484 PolarHBondContact N-O 2.8Å; T426-R484 PolarHBondContact OG1-NE 3.39Å; T426-R484 PolarHBondContact OG1-NH2 2.97Å; T426-R484 VanDerWaalsContact OG1-NH2 3.16Å; T426-R484 PolarHBondContact OG1-O 3.37Å; V467-R484 HydrophobicContact CG1-CG 4.12Å; L468-R484 WeakPolarHBondContact O-CA 3.47Å; D469-R484 HydrophobicContact CB-CG 4.15Å; D469-R484 VanDerWaalsContact OD2-CD 3.22Å; D469-R484 WeakPolarHBondContact OD2-CD 3.45Å; D469-R484 IonicContact OD2-NH1 3.29Å
485	C	97.3	Very high	95.8	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	149.4	177.5	-66.5	0	0	0	0	111.5	L423 T424 C425 L468 P474	L423-C485 HydrophobicContact CD1-CB 3.55Å; L423-C485 HydrophobicContact CG-CB 4.11Å; T424-C485 CarbonylContact O-C 3.51Å; T424-C485 WeakPolarHBondContact O-CA 3.46Å; T424-C485 WeakPolarHBondContact O-CB 3.19Å; C425-C485 VanDerWaalsContact CA-SG 3.56Å; L468-C485 PolarHBondContact N-O 3.18Å; L468-C485 PolarHBondContact O-N 2.9Å; P474-C485 HydrophobicContact CG-CB 3.7Å; P474-C485 VanDerWaalsContact CG-SG 3.51Å
486	I	97.8	Very high	95.9	Very high	54 Å²	54	62.3 Å²	62.3	28%	0.277	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.2	169.1	-58	172.6	0	0	0	107.7	L423 T424 T426 E465 D466	L423-I486 CarbonylContact C-O 3.54Å; L423-I486 WeakPolarHBondContact CA-O 3.47Å; T424-I486 PolarHBondContact N-O 3.25Å; T424-I486 PolarHBondContact O-N 2.81Å; T426-I486 HydrophobicContact CG2-CD1 4.27Å; T426-I486 HydrophobicContact CG2-CG1 4.04Å; E465-I486 HydrophobicContact CB-CG2 3.79Å; E465-I486 HydrophobicContact CG-CG2 3.9Å; D466-I486 CarbonylContact O-C 3.57Å; D466-I486 WeakPolarHBondContact O-CA 3.34Å
487	K	96.2	Very high	96.1	Very high	30 Å²	30	62.8 Å²	62.8	13%	0.13	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	138.8	173.6	-171.6	170.6	-177.8	171.1	0	109.8	L4 S5 S421 S422 L423 E465 D466 L468 F489	L4-K487 PolarHBondContact O-NZ 3.49Å; S5-K487 WeakPolarHBondContact O-CE 3.12Å; S5-K487 PolarHBondContact O-NZ 3.1Å; S421-K487 VanDerWaalsContact OG-CE 3.27Å; S421-K487 WeakPolarHBondContact OG-CE 3.22Å; S422-K487 CarbonylContact O-C 3.47Å; S422-K487 WeakPolarHBondContact O-CA 3.35Å; L423-K487 HydrophobicContact CD1-CB 3.93Å; L423-K487 HydrophobicContact CD1-CG 4.38Å; E465-K487 WeakPolarHBondContact CA-O 3.41Å; D466-K487 PolarHBondContact N-O 2.98Å; D466-K487 PolarHBondContact O-N 2.89Å; L468-K487 HydrophobicContact CD1-CB 4.3Å; L468-K487 HydrophobicContact CD1-CD 4.5Å; L468-K487 HydrophobicContact CG-CB 4.48Å; K487-F489 VanDerWaalsContact CE-CZ 3.49Å
488	K	95.9	Very high	96.5	Very high	92 Å²	92	59.3 Å²	59.3	40%	0.4	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	147.8	178.7	-164.5	175.9	-169.2	163.4	0	111	S421 S422 E465	S421-K488 WeakPolarHBondContact CA-O 3.47Å; S422-K488 PolarHBondContact N-O 2.73Å; S422-K488 PolarHBondContact O-N 3.37Å; E465-K488 HydrophobicContact CG-CB 4.05Å; E465-K488 HydrophobicContact CG-CD 3.65Å; E465-K488 HydrophobicContact CG-CG 3.82Å; E465-K488 WeakPolarHBondContact OE1-CD 3.44Å; E465-K488 VanDerWaalsContact OE1-CE 3.31Å; E465-K488 WeakPolarHBondContact OE1-CE 3.27Å; E465-K488 IonicContact OE1-NZ 2.76Å; E465-K488 PolarHBondContact OE1-NZ 2.86Å
489	F	96.3	Very high	96.7	Very high	31 Å²	31	51 Å²	51	14%	0.136	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	141.8	170.9	-69	-68.5	0	0	0	111	T7 K420 S421 F462 T463 K487	T7-F489 HydrophobicContact CG2-CE1 3.59Å; T7-F489 HydrophobicContact CG2-CZ 3.72Å; K420-F489 WeakPolarHBondContact O-CA 3.42Å; S421-F489 WeakPolarHBondContact OG-CE1 3.2Å; F462-F489 HydrophobicContact CE1-CB 4.27Å; T463-F489 WeakPolarHBondContact CB-O 3.14Å; T463-F489 WeakPolarHBondContact CG2-O 3.41Å; K487-F489 VanDerWaalsContact CE-CZ 3.49Å
490	S	96.2	Very high	96.9	Very high	21 Å²	21	49.1 Å²	49.1	15%	0.147	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	159.5	168	60	0	0	0	0	109.8	L419 K420 S533	L419-S490 WeakPolarHBondContact CA-O 3.48Å; K420-S490 PolarHBondContact N-O 3.26Å; K420-S490 PolarHBondContact O-N 3.38Å; S490-S533 WeakPolarHBondContact CB-OG 3.3Å; S490-S533 PolarHBondContact OG-OG 2.76Å
491	I	96.4	Very high	97.1	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	116.4	-178.8	-59.6	171.1	0	0	0	108.4	L419 F438 L441 M459 R493 F494 F531 A532 S533	L419-I491 HydrophobicContact CD2-CG1 4.05Å; F438-I491 HydrophobicContact CE1-CG2 4.36Å; F438-I491 HydrophobicContact CZ-CG2 4.42Å; L441-I491 HydrophobicContact CD1-CD1 4.06Å; M459-I491 HydrophobicContact CE-CD1 4.11Å; I491-R493 WeakPolarHBondContact CG2-O 3.37Å; I491-F494 HydrophobicContact CB-CE1 4.08Å; I491-F494 HydrophobicContact CB-CE2 4.2Å; I491-F494 HydrophobicContact CB-CZ 3.86Å; I491-F494 HydrophobicContact CD1-CD1 4.28Å; I491-F494 HydrophobicContact CD1-CE1 3.51Å; I491-F494 HydrophobicContact CD1-CZ 3.94Å; I491-F494 HydrophobicContact CG1-CE1 4.39Å; I491-F494 HydrophobicContact CG1-CZ 4.49Å; I491-F494 HydrophobicContact CG2-CD1 3.78Å; I491-F494 HydrophobicContact CG2-CD2 3.94Å; I491-F494 HydrophobicContact CG2-CE1 3.76Å; I491-F494 HydrophobicContact CG2-CE2 3.91Å; I491-F494 HydrophobicContact CG2-CG 3.88Å; I491-F494 HydrophobicContact CG2-CZ 3.82Å; I491-F531 HydrophobicContact CD1-CB 4.29Å; I491-F531 PolarHBondContact N-O 3.16Å; I491-A532 CarbonylContact O-C 3.45Å; I491-S533 VanDerWaalsContact C-OG 3.31Å; I491-S533 PolarHBondContact O-N 2.69Å; I491-S533 PolarHBondContact O-OG 2.95Å; I491-S533 VanDerWaalsContact O-OG 3.06Å
492	Q	96	Very high	97.2	Very high	17 Å²	17	37.5 Å²	37.5	8%	0.079	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-30.2	178.3	-174.1	62.9	57.8	0	0	111.9	Q418 K420 F435 S533 T536	Q418-Q492 HydrophobicContact CB-CB 4.39Å; Q418-Q492 HydrophobicContact CG-CB 4.42Å; Q418-Q492 PolarHBondContact O-N 3.39Å; K420-Q492 HydrophobicContact CB-CB 4.28Å; F435-Q492 HydrophobicContact CD1-CB 4.06Å; F435-Q492 HydrophobicContact CD1-CG 3.88Å; F435-Q492 HydrophobicContact CE1-CB 4.18Å; F435-Q492 HydrophobicContact CE1-CG 3.79Å; Q492-S533 PolarHBondContact N-OG 2.65Å; Q492-S533 VanDerWaalsContact OE1-CB 3.3Å; Q492-T536 PolarHBondContact NE2-OG1 2.88Å; Q492-T536 WeakPolarHBondContact O-CG2 3.24Å
493	R	95.3	Very high	97.2	Very high	98 Å²	98	34.8 Å²	34.8	37%	0.37	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	128.5	174.1	-58.1	174.4	65.5	95.3	0	109.6	W400 G417 Q418 I491	W400-R493 VanDerWaalsContact CD2-CD 3.45Å; W400-R493 VanDerWaalsContact CD2-NE 3.29Å; W400-R493 VanDerWaalsContact CE2-NE 3.26Å; G417-R493 CarbonylContact C-O 3.57Å; G417-R493 VanDerWaalsContact CA-O 3.26Å; G417-R493 WeakPolarHBondContact CA-O 3.47Å; Q418-R493 HydrophobicContact CB-CB 3.69Å; Q418-R493 HydrophobicContact CB-CG 3.84Å; Q418-R493 PolarHBondContact N-O 3Å; Q418-R493 PolarHBondContact O-N 2.59Å; Q418-R493 VanDerWaalsContact O-N 3.1Å; I491-R493 WeakPolarHBondContact CG2-O 3.37Å
494	F	96.6	Very high	97	Very high	37 Å²	37	31.9 Å²	31.9	16%	0.162	14%	0.139	C	C	.	.			trans	-88.7	132	176.5	-79	-79.6	0	0	0	110.3	I491 L528 A532 T536 A539 Y541	I491-F494 HydrophobicContact CB-CE1 4.08Å; I491-F494 HydrophobicContact CB-CE2 4.2Å; I491-F494 HydrophobicContact CB-CZ 3.86Å; I491-F494 HydrophobicContact CD1-CD1 4.28Å; I491-F494 HydrophobicContact CD1-CE1 3.51Å; I491-F494 HydrophobicContact CD1-CZ 3.94Å; I491-F494 HydrophobicContact CG1-CE1 4.39Å; I491-F494 HydrophobicContact CG1-CZ 4.49Å; I491-F494 HydrophobicContact CG2-CD1 3.78Å; I491-F494 HydrophobicContact CG2-CD2 3.94Å; I491-F494 HydrophobicContact CG2-CE1 3.76Å; I491-F494 HydrophobicContact CG2-CE2 3.91Å; I491-F494 HydrophobicContact CG2-CG 3.88Å; I491-F494 HydrophobicContact CG2-CZ 3.82Å; F494-L528 HydrophobicContact CE1-CB 3.63Å; F494-L528 HydrophobicContact CE1-CD1 4.02Å; F494-L528 HydrophobicContact CE1-CG 4.49Å; F494-L528 HydrophobicContact CZ-CB 3.94Å; F494-A532 HydrophobicContact CE2-CB 3.89Å; F494-A532 HydrophobicContact CZ-CB 4.25Å; F494-T536 HydrophobicContact CD2-CG2 4.16Å; F494-T536 HydrophobicContact CE2-CG2 4.24Å; F494-A539 HydrophobicContact CB-CB 3.78Å; F494-A539 HydrophobicContact CD1-CB 3.63Å; F494-A539 HydrophobicContact CD2-CB 3.61Å; F494-A539 HydrophobicContact CE1-CB 4.07Å; F494-A539 HydrophobicContact CE2-CB 4.06Å; F494-A539 HydrophobicContact CG-CB 3.38Å; F494-A539 HydrophobicContact CZ-CB 4.27Å; F494-Y541 WeakPolarHBondContact CB-OH 3.39Å; F494-Y541 AromaticContact CD1-CE2 3.92Å; F494-Y541 HydrophobicContact CD1-CE2 3.92Å; F494-Y541 HydrophobicContact CE1-CE2 4.49Å
495	P	97.1	Very high	96.5	Very high	3 Å²	3	30 Å²	30	2%	0.019	13%	0.134	C	C	.	.			trans	-74.1	160.4	174.7	31.8	-34.9	0	0	0	111.1	F415 F438 I497 L498 Y541	F415-P495 WeakPolarHBondContact O-CB 3.26Å; F438-P495 HydrophobicContact CE2-CG 4.23Å; F438-P495 HydrophobicContact CZ-CG 4.42Å; P495-I497 VanDerWaalsContact C-N 3.34Å; P495-I497 WeakPolarHBondContact CB-O 3.47Å; P495-L498 HydrophobicContact CG-CB 4.02Å; P495-L498 HydrophobicContact CG-CD1 3.86Å; P495-Y541 PolarHBondContact O-OH 3.26Å
496	K	97.3	Very high	95.5	Very high	81 Å²	81	32.4 Å²	32.4	35%	0.352	15%	0.151	S	C	.	.	S	Bend	trans	-66	-39.9	171.4	-70.6	-179.4	162.4	-151.6	0	111.8	E290 D413 L414 L598	E290-K496 WeakPolarHBondContact OE1-CD 3.35Å; E290-K496 IonicContact OE1-NZ 3.73Å; E290-K496 PolarHBondContact OE1-NZ 3.3Å; E290-K496 IonicContact OE2-NZ 3.81Å; E290-K496 PolarHBondContact OE2-NZ 2.93Å; D413-K496 WeakPolarHBondContact O-CD 3.5Å; L414-K496 HydrophobicContact CD2-CD 3.83Å; L414-K496 PolarHBondContact O-N 3.11Å; L414-K496 VanDerWaalsContact O-N 3.08Å; K496-L598 WeakPolarHBondContact O-CB 3.23Å; K496-L598 PolarHBondContact O-N 3.22Å
497	I	98.4	Very high	93.7	Very high	10 Å²	10	36.8 Å²	36.8	5%	0.051	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	110.4	177.1	-55.2	-59.9	0	0	0	107.6	T288 L414 F415 P495 Y544 Y596 E597	T288-I497 HydrophobicContact CG2-CD1 3.86Å; T288-I497 HydrophobicContact CG2-CG1 3.81Å; T288-I497 HydrophobicContact CG2-CG2 4.37Å; L414-I497 HydrophobicContact CB-CG1 4.18Å; L414-I497 PolarHBondContact O-N 2.85Å; F415-I497 HydrophobicContact CD1-CB 3.94Å; F415-I497 HydrophobicContact CD1-CG2 3.74Å; F415-I497 HydrophobicContact CE1-CB 3.92Å; F415-I497 HydrophobicContact CE1-CG2 3.34Å; F415-I497 HydrophobicContact CG-CB 4.49Å; F415-I497 HydrophobicContact CZ-CB 4.42Å; F415-I497 HydrophobicContact CZ-CG2 4.02Å; P495-I497 VanDerWaalsContact C-N 3.34Å; P495-I497 WeakPolarHBondContact CB-O 3.47Å; I497-Y544 HydrophobicContact CD1-CE1 4.18Å; I497-Y544 HydrophobicContact CG2-CE1 4.17Å; I497-Y544 WeakPolarHBondContact CG2-OH 3.41Å; I497-Y596 CarbonylContact C-O 3.5Å; I497-Y596 WeakPolarHBondContact CA-O 3.32Å; I497-E597 HydrophobicContact CD1-CB 4.04Å
498	L	98.6	Very high	92.1	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	115.4	179.8	178.9	61.9	0	0	0	109.8	F438 L441 P495 L500 L528 Y541 Y596	F438-L498 HydrophobicContact CE2-CD1 3.89Å; F438-L498 HydrophobicContact CZ-CD1 4.44Å; L441-L498 HydrophobicContact CD1-CD1 4.18Å; L441-L498 HydrophobicContact CG-CD1 4.4Å; P495-L498 HydrophobicContact CG-CB 4.02Å; P495-L498 HydrophobicContact CG-CD1 3.86Å; L498-L500 HydrophobicContact CD1-CD2 3.87Å; L498-L500 HydrophobicContact CD2-CD1 4.38Å; L498-L500 HydrophobicContact CD2-CD2 3.96Å; L498-L500 HydrophobicContact CD2-CG 4.28Å; L498-L500 HydrophobicContact CG-CD2 3.74Å; L498-L500 HydrophobicContact CG-CG 4.02Å; L498-L528 HydrophobicContact CD2-CD1 3.28Å; L498-Y541 HydrophobicContact CB-CD1 4.04Å; L498-Y541 HydrophobicContact CB-CE1 3.54Å; L498-Y541 HydrophobicContact CD2-CD2 4.25Å; L498-Y541 HydrophobicContact CD2-CE1 4.34Å; L498-Y541 HydrophobicContact CD2-CE2 3.9Å; L498-Y596 PolarHBondContact N-O 3.16Å; L498-Y596 WeakPolarHBondContact O-CB 3.39Å; L498-Y596 PolarHBondContact O-N 2.87Å
499	V	98.8	Very high	90.4	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	120	172.1	-175.6	0	0	0	0	109.3	L362 F415 D440 L441 L594 F595	L362-V499 HydrophobicContact CD2-CG1 3.77Å; L362-V499 HydrophobicContact CD2-CG2 4.39Å; F415-V499 HydrophobicContact CD1-CG2 3.94Å; F415-V499 HydrophobicContact CE1-CG2 4.04Å; D440-V499 WeakPolarHBondContact CA-O 3.38Å; D440-V499 HydrophobicContact CB-CB 4.05Å; D440-V499 HydrophobicContact CB-CG1 4.09Å; L441-V499 PolarHBondContact N-O 2.83Å; V499-L594 WeakPolarHBondContact CA-O 3.32Å; V499-F595 HydrophobicContact CG1-CE1 4.45Å; V499-F595 HydrophobicContact CG2-CD1 3.83Å; V499-F595 HydrophobicContact CG2-CE1 3.85Å
500	L	98.8	Very high	89	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	115.6	175.4	-57.1	179.7	0	0	0	109.6	L441 L443 L455 M459 L498 L526 L593 L594 Y596	L441-L500 HydrophobicContact CB-CD2 3.82Å; L441-L500 HydrophobicContact CD1-CD2 4.06Å; L441-L500 HydrophobicContact CG-CD2 4.31Å; L443-L500 HydrophobicContact CD1-CB 4.3Å; L443-L500 HydrophobicContact CD1-CD1 4.48Å; L443-L500 HydrophobicContact CD1-CD2 4.39Å; L455-L500 HydrophobicContact CD1-CD1 4.09Å; L455-L500 HydrophobicContact CD2-CD1 3.88Å; L455-L500 HydrophobicContact CG-CD1 4.35Å; M459-L500 HydrophobicContact SD-CD2 4.26Å; L498-L500 HydrophobicContact CD1-CD2 3.87Å; L498-L500 HydrophobicContact CD2-CD1 4.38Å; L498-L500 HydrophobicContact CD2-CD2 3.96Å; L498-L500 HydrophobicContact CD2-CG 4.28Å; L498-L500 HydrophobicContact CG-CD2 3.74Å; L498-L500 HydrophobicContact CG-CG 4.02Å; L500-L526 HydrophobicContact CD1-CD2 4.38Å; L500-L593 WeakPolarHBondContact O-CA 3.22Å; L500-L594 HydrophobicContact CB-CB 4.34Å; L500-L594 PolarHBondContact N-O 3.11Å; L500-L594 PolarHBondContact O-N 3.26Å; L500-Y596 HydrophobicContact CD1-CD2 3.95Å; L500-Y596 HydrophobicContact CD1-CE2 3.95Å; L500-Y596 HydrophobicContact CG-CD2 4.36Å
501	H	98.6	Very high	87.8	Confident	11 Å²	11	61.2 Å²	61.2	5%	0.051	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	122.8	175.5	159.4	-147.6	0	0	0	109.5	Q359 L441 S442 L443 Y592 L593	Q359-H501 HydrophobicContact CG-CB 4.19Å; Q359-H501 PolarHBondContact NE2-ND1 3.39Å; Q359-H501 PolarHBondContact OE1-CE1 2.85Å; Q359-H501 PolarHBondContact OE1-ND1 3.4Å; L441-H501 PolarHBondContact O-N 3.04Å; S442-H501 CarbonylContact C-O 3.52Å; S442-H501 WeakPolarHBondContact CA-O 3.49Å; S442-H501 VanDerWaalsContact CB-ND1 3.32Å; S442-H501 WeakPolarHBondContact CB-ND1 3.3Å; S442-H501 PolarHBondContact OG-ND1 3.03Å; L443-H501 PolarHBondContact N-O 2.74Å; H501-Y592 AromaticContact CD2-CE2 3.34Å; H501-Y592 WeakPolarHBondContact CD2-CE2 3.25Å; H501-Y592 AromaticContact CD2-CZ 3.57Å; H501-Y592 PolarHBondContact CD2-OH 3.01Å; H501-Y592 AromaticContact NE2-CE2 3.24Å; H501-Y592 WeakPolarHBondContact NE2-CE2 3.29Å; H501-Y592 AromaticContact NE2-CZ 3.41Å; H501-Y592 PolarHBondContact NE2-OH 3.27Å; H501-L593 HydrophobicContact CB-CD2 3.52Å
502	L	98.2	Very high	86.8	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	111.6	171.4	-63.2	179	0	0	0	109.3	L443 I445 L455 R504 V519 Y592	L443-L502 HydrophobicContact CD1-CD2 4.48Å; I445-L502 HydrophobicContact CD1-CB 4.21Å; I445-L502 HydrophobicContact CG1-CB 4.4Å; L455-L502 HydrophobicContact CD1-CD2 4.14Å; L502-R504 VanDerWaalsContact C-N 3.26Å; L502-R504 PolarHBondContact O-N 2.65Å; L502-V519 HydrophobicContact CD1-CB 4.03Å; L502-V519 HydrophobicContact CD1-CG1 4.21Å; L502-V519 HydrophobicContact CD1-CG2 4.2Å; L502-V519 HydrophobicContact CD2-CG1 4.32Å; L502-Y592 PolarHBondContact N-O 3.31Å; L502-Y592 WeakPolarHBondContact O-CD2 3.42Å; L502-Y592 WeakPolarHBondContact O-CE2 3.45Å
503	K	95.8	Very high	86.3	Confident	74 Å²	74	65.3 Å²	65.3	32%	0.322	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	80.6	179.3	-74.5	171.9	163.2	146.7	0	111.7	S442 L443	S442-K503 WeakPolarHBondContact O-CE 3.46Å; S442-K503 PolarHBondContact O-NZ 2.82Å; L443-K503 VanDerWaalsContact O-CB 3.26Å; L443-K503 WeakPolarHBondContact O-CB 3.48Å; L443-K503 WeakPolarHBondContact O-CG 3.24Å; L443-K503 PolarHBondContact O-N 2.98Å
504	R	94.2	Very high	86.1	Confident	1 Å²	1	62 Å²	62	0%	0.004	29%	0.293	C	S	.	.			trans	-80.3	-34.1	178.2	-69.2	-172.1	-178.8	-71.9	-1.1	112.3	I445 L502 K514 L515 T517 S589 A591 Y592	I445-R504 HydrophobicContact CD1-CB 4.49Å; I445-R504 HydrophobicContact CD1-CG 3.67Å; L502-R504 VanDerWaalsContact C-N 3.26Å; L502-R504 PolarHBondContact O-N 2.65Å; R504-K514 HydrophobicContact CB-CG 4.16Å; R504-K514 CarbonylContact O-C 3.57Å; R504-K514 WeakPolarHBondContact O-CA 3.34Å; R504-L515 WeakPolarHBondContact CG-O 3.29Å; R504-L515 PolarHBondContact NH1-O 3.1Å; R504-L515 WeakPolarHBondContact O-CG 3.3Å; R504-L515 PolarHBondContact O-N 2.82Å; R504-T517 PolarHBondContact NH1-O 3.39Å; R504-T517 PolarHBondContact NH2-O 2.83Å; R504-S589 PolarHBondContact NE-O 3.01Å; R504-S589 PolarHBondContact NH1-O 3.48Å; R504-S589 VanDerWaalsContact NH1-O 3.16Å; R504-S589 PolarHBondContact NH2-O 3.4Å; R504-S589 VanDerWaalsContact NH2-O 3.15Å; R504-A591 VanDerWaalsContact CZ-O 3.27Å; R504-A591 PolarHBondContact NE-O 3.05Å; R504-A591 PolarHBondContact NH2-O 3.41Å; R504-Y592 HydrophobicContact CB-CD2 4.37Å; R504-Y592 HydrophobicContact CG-CD2 4.31Å
505	F	87.3	Confident	85.9	Confident	67 Å²	67	63.1 Å²	63.1	29%	0.294	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	127.2	-180	-53.1	-55.6	0	0	0	110.6	D357 K514 H549 T553 Y592	D357-F505 WeakPolarHBondContact OD2-CE2 3.32Å; F505-K514 HydrophobicContact CD1-CB 4.18Å; F505-K514 HydrophobicContact CD1-CG 4.16Å; F505-K514 HydrophobicContact CE1-CB 4.32Å; F505-K514 HydrophobicContact CE1-CD 4.26Å; F505-K514 HydrophobicContact CE1-CG 4.03Å; F505-H549 AromaticContact CE1-CE1 3.94Å; F505-H549 AromaticContact CE1-ND1 3.85Å; F505-H549 AromaticContact CZ-CE1 3.64Å; F505-H549 AromaticContact CZ-ND1 3.42Å; F505-H549 WeakPolarHBondContact CZ-ND1 3.06Å; F505-T553 HydrophobicContact CB-CG2 4.42Å; F505-T553 HydrophobicContact CD1-CG2 3.58Å; F505-T553 HydrophobicContact CE1-CG2 4.27Å; F505-T553 HydrophobicContact CG-CG2 4.37Å; F505-Y592 HydrophobicContact CD2-CE2 4.25Å; F505-Y592 HydrophobicContact CE2-CE1 4.35Å; F505-Y592 AromaticContact CE2-CE2 3.98Å; F505-Y592 HydrophobicContact CE2-CE2 3.98Å; F505-Y592 AromaticContact CE2-CZ 3.81Å
506	S	76.1	Confident	85.7	Confident	51 Å²	51	67.6 Å²	67.6	36%	0.357	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	117.2	-176.8	-176.9	0	0	0	0	110.1	S508 S513	S506-S508 PolarHBondContact O-N 2.83Å; S506-S513 PolarHBondContact N-O 2.88Å; S506-S513 PolarHBondContact O-N 3.37Å; S506-S513 PolarHBondContact O-OG 3.49Å
507	E	59.3	Low	85.5	Confident	146 Å²	146	66.2 Å²	66.2	68%	0.682	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	98.1	173.6	-70.6	167	-166.6	0	0	109.7	T512	E507-T512 HydrophobicContact CG-CG2 4.29Å
508	S	62.6	Low	85.4	Confident	72 Å²	72	69.4 Å²	69.4	50%	0.503	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	144.2	158	-179.9	0	0	0	0	108.6	S506 I510 R511	S506-S508 PolarHBondContact O-N 2.83Å; S508-I510 PolarHBondContact O-N 3.42Å; S508-R511 WeakPolarHBondContact CB-O 3.49Å; S508-R511 PolarHBondContact N-O 3.37Å; S508-R511 CarbonylContact O-C 3.56Å; S508-R511 PolarHBondContact O-N 2.92Å
509	R	59.8	Low	85.4	Confident	250 Å²	250	69.3 Å²	69.3	94%	0.943	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-13.4	-177	-62.5	-173.4	-178.9	-163.8	-0.5	115.3
510	I	66.9	Low	85.4	Confident	164 Å²	164	71.3 Å²	71.3	84%	0.841	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	-28.9	-177.8	-57.6	173.8	0	0	0	111.9	S508	S508-I510 PolarHBondContact O-N 3.42Å
511	R	71.2	Confident	85.3	Confident	201 Å²	201	71.3 Å²	71.3	76%	0.758	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-163	133.8	-174.1	-174.2	172.2	178.3	179	2.3	111.6	S508	S508-R511 WeakPolarHBondContact CB-O 3.49Å; S508-R511 PolarHBondContact N-O 3.37Å; S508-R511 CarbonylContact O-C 3.56Å; S508-R511 PolarHBondContact O-N 2.92Å
512	T	76.9	Confident	85.3	Confident	54 Å²	54	72.7 Å²	72.7	33%	0.331	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	140.7	168.5	64.8	0	0	0	0	110.4	E507 T553	E507-T512 HydrophobicContact CG-CG2 4.29Å; T512-T553 WeakPolarHBondContact OG1-CB 3.26Å; T512-T553 PolarHBondContact OG1-OG1 3.12Å
513	S	85.1	Confident	85.3	Confident	50 Å²	50	73.8 Å²	73.8	35%	0.35	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	153.9	-178.4	62.5	0	0	0	0	112	S506 T553	S506-S513 PolarHBondContact N-O 2.88Å; S506-S513 PolarHBondContact O-N 3.37Å; S506-S513 PolarHBondContact O-OG 3.49Å; S513-T553 WeakPolarHBondContact O-CG2 3.38Å
514	K	91.2	Very high	85.3	Confident	28 Å²	28	77.7 Å²	77.7	12%	0.122	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.8	175.7	-177.9	-168.1	171.1	-171.4	0	109.4	R504 F505 T516 H549 G551 T553 D590	R504-K514 HydrophobicContact CB-CG 4.16Å; R504-K514 CarbonylContact O-C 3.57Å; R504-K514 WeakPolarHBondContact O-CA 3.34Å; F505-K514 HydrophobicContact CD1-CB 4.18Å; F505-K514 HydrophobicContact CD1-CG 4.16Å; F505-K514 HydrophobicContact CE1-CB 4.32Å; F505-K514 HydrophobicContact CE1-CD 4.26Å; F505-K514 HydrophobicContact CE1-CG 4.03Å; K514-T516 PolarHBondContact O-N 3.37Å; K514-H549 PolarHBondContact NZ-O 2.86Å; K514-G551 WeakPolarHBondContact CD-O 3.41Å; K514-G551 PolarHBondContact NZ-O 3.35Å; K514-T553 HydrophobicContact CB-CG2 4.43Å; K514-D590 IonicContact NZ-OD1 2.83Å; K514-D590 PolarHBondContact NZ-OD1 3.48Å
515	L	90.9	Very high	85.4	Confident	61 Å²	61	82.1 Å²	82.1	32%	0.319	40%	0.402	S	S	.	.			trans	-75	108.5	172.5	-59.2	176.9	0	0	0	109.8	I445 R504 T517	I445-L515 HydrophobicContact CB-CD1 4.25Å; I445-L515 HydrophobicContact CD1-CB 4.27Å; I445-L515 HydrophobicContact CD1-CD1 4.3Å; R504-L515 WeakPolarHBondContact CG-O 3.29Å; R504-L515 PolarHBondContact NH1-O 3.1Å; R504-L515 WeakPolarHBondContact O-CG 3.3Å; R504-L515 PolarHBondContact O-N 2.82Å; L515-T517 PolarHBondContact O-N 3.32Å
516	T	92.9	Very high	85.9	Confident	97 Å²	97	79.1 Å²	79.1	60%	0.595	39%	0.389	S	S	*	.			trans	-83.9	9.1	173.8	51.1	0	0	0	0	113.2	K514 F518 S589	K514-T516 PolarHBondContact O-N 3.37Å; T516-F518 PolarHBondContact O-N 2.92Å; T516-S589 WeakPolarHBondContact O-CB 3.29Å
517	T	94.7	Very high	86.9	Confident	51 Å²	51	78.9 Å²	78.9	31%	0.313	38%	0.384	S	S	.	.			trans	-50.3	123.4	177.5	-47.1	0	0	0	0	111	I445 V453 R504 L515 V519	I445-T517 HydrophobicContact CG2-CG2 4.01Å; V453-T517 HydrophobicContact CB-CG2 4.39Å; V453-T517 HydrophobicContact CG2-CG2 4.16Å; R504-T517 PolarHBondContact NH1-O 3.39Å; R504-T517 PolarHBondContact NH2-O 2.83Å; L515-T517 PolarHBondContact O-N 3.32Å; T517-V519 PolarHBondContact O-N 2.75Å
518	F	96.6	Very high	88.7	Confident	77 Å²	77	72 Å²	72	34%	0.338	35%	0.351	S	S	.	.			trans	-64.7	131.8	167.9	-175.3	-105.4	0	0	0	109.2	E452 T516 N520 R587	E452-F518 WeakPolarHBondContact OE2-CD1 3.23Å; E452-F518 VanDerWaalsContact OE2-CE1 3.25Å; E452-F518 WeakPolarHBondContact OE2-CE1 3.33Å; T516-F518 PolarHBondContact O-N 2.92Å; F518-N520 HydrophobicContact CE1-CB 3.95Å; F518-R587 HydrophobicContact CE2-CB 4.18Å; F518-R587 HydrophobicContact CZ-CB 4.03Å
519	V	97.6	Very high	90.2	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	110.1	177.1	178.1	0	0	0	0	106.3	I445 V453 L455 L502 T517 F521	I445-V519 HydrophobicContact CG2-CG2 4.03Å; V453-V519 HydrophobicContact CG1-CG2 4.18Å; V453-V519 CarbonylContact O-C 3.54Å; V453-V519 WeakPolarHBondContact O-CA 3.49Å; L455-V519 HydrophobicContact CB-CG1 4.46Å; L502-V519 HydrophobicContact CD1-CB 4.03Å; L502-V519 HydrophobicContact CD1-CG1 4.21Å; L502-V519 HydrophobicContact CD1-CG2 4.2Å; L502-V519 HydrophobicContact CD2-CG1 4.32Å; T517-V519 PolarHBondContact O-N 2.75Å; V519-F521 WeakPolarHBondContact O-CD1 3.19Å; V519-F521 PolarHBondContact O-N 2.84Å
520	N	97.8	Very high	91.8	Very high	43 Å²	43	69.1 Å²	69.1	23%	0.23	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	118.2	177.3	-174	-2.1	0	0	0	109.6	E452 V453 T454 L455 F518 R587	E452-N520 HydrophobicContact CG-CB 4.32Å; E452-N520 WeakPolarHBondContact OE1-CB 3.47Å; E452-N520 PolarHBondContact OE1-ND2 2.82Å; V453-N520 PolarHBondContact O-N 3.4Å; T454-N520 CarbonylContact C-O 3.57Å; T454-N520 WeakPolarHBondContact CA-O 3.41Å; L455-N520 PolarHBondContact N-O 3.07Å; F518-N520 HydrophobicContact CE1-CB 3.95Å; N520-R587 WeakPolarHBondContact OD1-CD 3.4Å; N520-R587 PolarHBondContact OD1-NE 2.85Å
521	F	98.3	Very high	93.2	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.295	C	S	.	.			trans	-116.6	139.9	175.5	53	-97.1	0	0	0	110.7	L455 V519 L523 L543 V546 V586 R587 A591 L594	L455-F521 HydrophobicContact CB-CB 3.99Å; L455-F521 HydrophobicContact CD2-CB 3.88Å; L455-F521 HydrophobicContact CG-CB 4.48Å; V519-F521 WeakPolarHBondContact O-CD1 3.19Å; V519-F521 PolarHBondContact O-N 2.84Å; F521-L523 HydrophobicContact CD2-CD2 4.28Å; F521-L523 HydrophobicContact CE2-CD2 4.02Å; F521-L543 HydrophobicContact CD2-CD2 3.79Å; F521-L543 HydrophobicContact CE2-CD2 3.52Å; F521-V546 HydrophobicContact CE2-CG2 4.2Å; F521-V546 HydrophobicContact CZ-CG2 4.24Å; F521-V586 HydrophobicContact CE2-CG1 4.4Å; F521-V586 WeakPolarHBondContact CZ-O 3.48Å; F521-R587 HydrophobicContact CD2-CG 4.39Å; F521-R587 HydrophobicContact CE2-CG 4.04Å; F521-R587 HydrophobicContact CZ-CB 4.38Å; F521-R587 HydrophobicContact CZ-CG 4.17Å; F521-R587 PolarHBondContact O-NE 3.41Å; F521-R587 PolarHBondContact O-NH2 3.25Å; F521-A591 HydrophobicContact CE1-CB 3.6Å; F521-A591 HydrophobicContact CZ-CB 3.95Å; F521-L594 HydrophobicContact CB-CD1 3.84Å; F521-L594 HydrophobicContact CD1-CD1 3.92Å; F521-L594 HydrophobicContact CD1-CD2 3.93Å; F521-L594 HydrophobicContact CD2-CD1 4.39Å; F521-L594 HydrophobicContact CD2-CD2 4.13Å; F521-L594 HydrophobicContact CE1-CD2 3.79Å; F521-L594 HydrophobicContact CE2-CD2 3.98Å; F521-L594 HydrophobicContact CG-CD1 3.81Å; F521-L594 HydrophobicContact CG-CD2 4.1Å; F521-L594 HydrophobicContact CZ-CD2 3.8Å
522	P	97.8	Very high	94.3	Very high	39 Å²	39	53.1 Å²	53.1	25%	0.253	27%	0.269	S	S	.	.			trans	-72.2	139.7	175.5	31.2	-35.5	0	0	0	110.7	R524 L526 Y596	P522-R524 VanDerWaalsContact C-N 3.31Å; P522-L526 HydrophobicContact CG-CB 3.84Å; P522-L526 HydrophobicContact CG-CD1 3.67Å; P522-L526 HydrophobicContact CG-CG 4.24Å; P522-Y596 WeakPolarHBondContact O-CE1 3.11Å; P522-Y596 PolarHBondContact O-OH 2.86Å
523	L	98	Very high	95.1	Very high	23 Å²	23	50.9 Å²	50.9	12%	0.12	26%	0.255	C	S	.	.	S	Bend	trans	-79.9	-18.1	174.7	-54.6	-177.2	0	0	0	112.3	F521 L543 S583 V586 R587	F521-L523 HydrophobicContact CD2-CD2 4.28Å; F521-L523 HydrophobicContact CE2-CD2 4.02Å; L523-L543 HydrophobicContact CD2-CD2 3.6Å; L523-L543 WeakPolarHBondContact O-CB 3.28Å; L523-L543 PolarHBondContact O-N 3.42Å; L523-S583 WeakPolarHBondContact CD1-O 3.41Å; L523-V586 HydrophobicContact CD2-CB 4.07Å; L523-V586 HydrophobicContact CD2-CG1 3.82Å; L523-R587 HydrophobicContact CD2-CG 4.38Å
524	R	96.9	Very high	95	Very high	156 Å²	156	55.9 Å²	55.9	59%	0.589	27%	0.273	S	S	*	.	S	Bend	trans	-146.5	157.5	-176.5	-72.6	-168.1	56.2	165.5	-3.1	110.7	P522 L526 N542	P522-R524 VanDerWaalsContact C-N 3.31Å; R524-L526 VanDerWaalsContact C-N 3.28Å; R524-L526 PolarHBondContact O-N 2.95Å; R524-N542 WeakPolarHBondContact CA-OD1 3.43Å; R524-N542 VanDerWaalsContact CB-OD1 3.29Å; R524-N542 WeakPolarHBondContact CB-OD1 3.37Å; R524-N542 WeakPolarHBondContact CG-OD1 3.23Å
525	D	96.6	Very high	94.4	Very high	94 Å²	94	61.9 Å²	61.9	50%	0.503	31%	0.307	S	S	.	.			trans	56	38.5	166.5	-49.9	-57	0	0	0	114.1	D527 V540 Y541 N542	D525-D527 PolarHBondContact O-N 3.37Å; D525-V540 HydrophobicContact CB-CG1 4.28Å; D525-Y541 PolarHBondContact N-O 2.87Å; D525-N542 PolarHBondContact N-OD1 3.43Å
526	L	97.5	Very high	93.8	Very high	5 Å²	5	60.4 Å²	60.4	3%	0.026	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	94.6	172	176	61.8	0	0	0	110	L455 M456 L500 P522 R524 L528 V540 Y541 Y596	L455-L526 HydrophobicContact CD2-CD1 4.31Å; L455-L526 HydrophobicContact CD2-CD2 3.85Å; M456-L526 HydrophobicContact SD-CD1 3.78Å; L500-L526 HydrophobicContact CD1-CD2 4.38Å; P522-L526 HydrophobicContact CG-CB 3.84Å; P522-L526 HydrophobicContact CG-CD1 3.67Å; P522-L526 HydrophobicContact CG-CG 4.24Å; R524-L526 VanDerWaalsContact C-N 3.28Å; R524-L526 PolarHBondContact O-N 2.95Å; L526-L528 HydrophobicContact CD1-CD2 3.78Å; L526-L528 HydrophobicContact CD2-CD1 4.48Å; L526-L528 HydrophobicContact CD2-CD2 4.09Å; L526-L528 HydrophobicContact CD2-CG 4.42Å; L526-L528 HydrophobicContact CG-CD2 3.74Å; L526-L528 HydrophobicContact CG-CG 4.06Å; L526-V540 CarbonylContact O-C 3.38Å; L526-V540 WeakPolarHBondContact O-CA 3.44Å; L526-Y541 PolarHBondContact N-O 3.48Å; L526-Y541 PolarHBondContact O-N 3.14Å; L526-Y596 HydrophobicContact CB-CD1 4.46Å; L526-Y596 HydrophobicContact CB-CE1 4.06Å; L526-Y596 HydrophobicContact CD2-CD1 3.87Å; L526-Y596 HydrophobicContact CD2-CD2 4.15Å; L526-Y596 HydrophobicContact CD2-CE1 3.56Å; L526-Y596 HydrophobicContact CD2-CE2 3.84Å; L526-Y596 HydrophobicContact CD2-CG 4.17Å; L526-Y596 HydrophobicContact CG-CE1 4.45Å
527	D	96.4	Very high	93	Very high	46 Å²	46	62.2 Å²	62.2	25%	0.246	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	119.1	173.4	-172.5	-2.9	0	0	0	111.3	M456 D525 R529 V540	M456-D527 WeakPolarHBondContact CE-O 3.4Å; D525-D527 PolarHBondContact O-N 3.37Å; D527-R529 WeakPolarHBondContact OD1-CB 3.35Å; D527-R529 PolarHBondContact OD1-N 3.12Å; D527-R529 IonicContact OD1-NE 2.82Å; D527-R529 IonicContact OD2-CZ 3.29Å; D527-R529 VanDerWaalsContact OD2-CZ 3.29Å; D527-R529 IonicContact OD2-NE 3.21Å; D527-R529 PolarHBondContact OD2-NE 3.42Å; D527-R529 IonicContact OD2-NH2 2.68Å; D527-R529 PolarHBondContact OD2-NH2 3.06Å; D527-V540 HydrophobicContact CB-CG2 4.21Å
528	L	96.1	Very high	92.3	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.319	C	S	.	.			trans	-104.8	13.3	179.1	-61	-177	0	0	0	113.8	M456 M459 F494 L498 L526 E530 F531 A539 Y541	M456-L528 HydrophobicContact SD-CD2 4.29Å; M459-L528 HydrophobicContact CE-CD2 4.31Å; F494-L528 HydrophobicContact CE1-CB 3.63Å; F494-L528 HydrophobicContact CE1-CD1 4.02Å; F494-L528 HydrophobicContact CE1-CG 4.49Å; F494-L528 HydrophobicContact CZ-CB 3.94Å; L498-L528 HydrophobicContact CD2-CD1 3.28Å; L526-L528 HydrophobicContact CD1-CD2 3.78Å; L526-L528 HydrophobicContact CD2-CD1 4.48Å; L526-L528 HydrophobicContact CD2-CD2 4.09Å; L526-L528 HydrophobicContact CD2-CG 4.42Å; L526-L528 HydrophobicContact CG-CD2 3.74Å; L526-L528 HydrophobicContact CG-CG 4.06Å; L528-E530 PolarHBondContact O-N 2.88Å; L528-E530 VanDerWaalsContact O-N 3.16Å; L528-F531 HydrophobicContact CB-CD2 4.2Å; L528-F531 HydrophobicContact CD2-CD2 3.87Å; L528-F531 HydrophobicContact CD2-CE2 3.96Å; L528-F531 PolarHBondContact O-N 3.01Å; L528-A539 PolarHBondContact N-O 3.35Å; L528-Y541 HydrophobicContact CD1-CD2 3.87Å; L528-Y541 HydrophobicContact CD1-CE2 3.85Å; L528-Y541 HydrophobicContact CG-CD2 4.32Å
529	R	94.3	Very high	92.1	Very high	153 Å²	153	62.3 Å²	62.3	58%	0.577	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-51.7	-33.4	177.1	-172.7	-163.2	-33.6	-160.4	9.4	114	D527 F531 A532 H538	D527-R529 WeakPolarHBondContact OD1-CB 3.35Å; D527-R529 PolarHBondContact OD1-N 3.12Å; D527-R529 IonicContact OD1-NE 2.82Å; D527-R529 IonicContact OD2-CZ 3.29Å; D527-R529 VanDerWaalsContact OD2-CZ 3.29Å; D527-R529 IonicContact OD2-NE 3.21Å; D527-R529 PolarHBondContact OD2-NE 3.42Å; D527-R529 IonicContact OD2-NH2 2.68Å; D527-R529 PolarHBondContact OD2-NH2 3.06Å; R529-F531 PolarHBondContact O-N 3.32Å; R529-A532 WeakPolarHBondContact O-CB 3.39Å; R529-A532 PolarHBondContact O-N 3.34Å; R529-H538 HydrophobicContact CB-CB 4.36Å; R529-H538 HydrophobicContact CG-CB 4.25Å
530	E	94.9	Very high	92.1	Very high	109 Å²	109	64.5 Å²	64.5	51%	0.509	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-58.2	-25.6	175.7	-168.1	-176.2	144.4	0	0	112.9	R460 L528	R460-E530 WeakPolarHBondContact CD-OE1 3.27Å; R460-E530 VanDerWaalsContact CG-OE1 3.23Å; R460-E530 WeakPolarHBondContact CG-OE1 3.49Å; R460-E530 IonicContact CZ-OE1 3.66Å; R460-E530 IonicContact CZ-OE2 3.01Å; R460-E530 IonicContact NE-OE1 3.72Å; R460-E530 PolarHBondContact NE-OE1 2.92Å; R460-E530 IonicContact NE-OE2 2.76Å; R460-E530 PolarHBondContact NE-OE2 3.47Å; R460-E530 IonicContact NH2-OE1 3.4Å; R460-E530 IonicContact NH2-OE2 3.74Å; R460-E530 PolarHBondContact NH2-OE2 3.22Å; L528-E530 PolarHBondContact O-N 2.88Å; L528-E530 VanDerWaalsContact O-N 3.16Å
531	F	95.7	Very high	92.1	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.018	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-107.9	-0.1	-173.7	-47.3	-55.9	0	0	0	113.4	M456 M459 R460 T463 I491 L528 R529	M456-F531 HydrophobicContact CE-CE2 3.52Å; M456-F531 HydrophobicContact CE-CZ 3.77Å; M456-F531 HydrophobicContact SD-CE2 3.86Å; M456-F531 HydrophobicContact SD-CZ 4.3Å; M459-F531 HydrophobicContact CB-CD1 4.35Å; M459-F531 HydrophobicContact CB-CD2 3.94Å; M459-F531 HydrophobicContact CB-CE1 3.89Å; M459-F531 HydrophobicContact CB-CE2 3.41Å; M459-F531 VanDerWaalsContact CB-CE2 3.41Å; M459-F531 HydrophobicContact CB-CG 4.38Å; M459-F531 HydrophobicContact CB-CZ 3.38Å; M459-F531 HydrophobicContact CE-CB 4.31Å; M459-F531 HydrophobicContact CE-CD2 3.68Å; M459-F531 HydrophobicContact CE-CE2 4.27Å; M459-F531 HydrophobicContact CE-CG 4.02Å; M459-F531 HydrophobicContact CG-CD2 4.36Å; M459-F531 HydrophobicContact CG-CE2 3.98Å; M459-F531 HydrophobicContact CG-CZ 4.42Å; R460-F531 HydrophobicContact CG-CE1 3.78Å; R460-F531 HydrophobicContact CG-CZ 4.07Å; T463-F531 HydrophobicContact CG2-CB 4.07Å; T463-F531 HydrophobicContact CG2-CD1 3.87Å; T463-F531 HydrophobicContact CG2-CG 4.26Å; T463-F531 WeakPolarHBondContact OG1-CD1 3.23Å; I491-F531 HydrophobicContact CD1-CB 4.29Å; I491-F531 PolarHBondContact N-O 3.16Å; L528-F531 HydrophobicContact CB-CD2 4.2Å; L528-F531 HydrophobicContact CD2-CD2 3.87Å; L528-F531 HydrophobicContact CD2-CE2 3.96Å; L528-F531 PolarHBondContact O-N 3.01Å; R529-F531 PolarHBondContact O-N 3.32Å
532	A	95	Very high	92	Very high	25 Å²	25	63.4 Å²	63.4	21%	0.207	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-70.9	153.9	179.2	0	0	0	0	0	111.6	I491 F494 R529	I491-A532 CarbonylContact O-C 3.45Å; F494-A532 HydrophobicContact CE2-CB 3.89Å; F494-A532 HydrophobicContact CZ-CB 4.25Å; R529-A532 WeakPolarHBondContact O-CB 3.39Å; R529-A532 PolarHBondContact O-N 3.34Å
533	S	92.5	Very high	92.1	Very high	7 Å²	7	61.6 Å²	61.6	5%	0.049	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-77.8	156.9	166.8	-53.8	0	0	0	0	109.9	S490 I491 Q492 N535 T536	S490-S533 WeakPolarHBondContact CB-OG 3.3Å; S490-S533 PolarHBondContact OG-OG 2.76Å; I491-S533 VanDerWaalsContact C-OG 3.31Å; I491-S533 PolarHBondContact O-N 2.69Å; I491-S533 PolarHBondContact O-OG 2.95Å; I491-S533 VanDerWaalsContact O-OG 3.06Å; Q492-S533 PolarHBondContact N-OG 2.65Å; Q492-S533 VanDerWaalsContact OE1-CB 3.3Å; S533-N535 PolarHBondContact O-N 3.23Å; S533-T536 WeakPolarHBondContact O-CB 3.49Å; S533-T536 PolarHBondContact O-N 3Å; S533-T536 PolarHBondContact O-OG1 3.23Å
534	E	83.5	Confident	92.1	Very high	156 Å²	156	60.7 Å²	60.7	73%	0.729	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	139.6	174.5	-69.6	156.6	-139.1	0	0	111.6	T536	E534-T536 PolarHBondContact O-N 3.32Å
535	N	77.4	Confident	92.2	Very high	153 Å²	153	53.3 Å²	53.3	82%	0.818	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	10.7	-176.7	-52.4	-44.3	0	0	0	116.2	S533	S533-N535 PolarHBondContact O-N 3.23Å
536	T	78.4	Confident	92.3	Very high	30 Å²	30	48.8 Å²	48.8	18%	0.184	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-81.8	137.5	174	-55.5	0	0	0	0	110.5	Q492 F494 S533 E534 H538	Q492-T536 PolarHBondContact NE2-OG1 2.88Å; Q492-T536 WeakPolarHBondContact O-CG2 3.24Å; F494-T536 HydrophobicContact CD2-CG2 4.16Å; F494-T536 HydrophobicContact CE2-CG2 4.24Å; S533-T536 WeakPolarHBondContact O-CB 3.49Å; S533-T536 PolarHBondContact O-N 3Å; S533-T536 PolarHBondContact O-OG1 3.23Å; E534-T536 PolarHBondContact O-N 3.32Å; T536-H538 PolarHBondContact O-N 2.91Å
537	N	77.3	Confident	92.4	Very high	136 Å²	136	48.6 Å²	48.6	73%	0.727	24%	0.242	S	C	*	.	P	Polyproline II helix	trans	-57.2	132.4	174.8	-76	-22.2	0	0	0	111.2
538	H	80.4	Confident	92.5	Very high	126 Å²	126	46.5 Å²	46.5	58%	0.583	23%	0.231	S	C	*	.	P	Polyproline II helix	trans	-54.3	137.9	168.1	47.6	27.7	0	0	0	111.2	R529 T536	R529-H538 HydrophobicContact CB-CB 4.36Å; R529-H538 HydrophobicContact CG-CB 4.25Å; T536-H538 PolarHBondContact O-N 2.91Å
539	A	91.8	Very high	92.6	Very high	4 Å²	4	46.8 Å²	46.8	3%	0.033	23%	0.233	C	C	.	.			trans	-125.5	123.5	178.6	0	0	0	0	0	109.5	F494 L528 Y541 L598	F494-A539 HydrophobicContact CB-CB 3.78Å; F494-A539 HydrophobicContact CD1-CB 3.63Å; F494-A539 HydrophobicContact CD2-CB 3.61Å; F494-A539 HydrophobicContact CE1-CB 4.07Å; F494-A539 HydrophobicContact CE2-CB 4.06Å; F494-A539 HydrophobicContact CG-CB 3.38Å; F494-A539 HydrophobicContact CZ-CB 4.27Å; L528-A539 PolarHBondContact N-O 3.35Å; A539-Y541 HydrophobicContact CB-CD2 4.38Å; A539-Y541 HydrophobicContact CB-CE2 3.65Å; A539-L598 HydrophobicContact CB-CD1 3.81Å
540	V	96.5	Very high	92.6	Very high	45 Å²	45	41.7 Å²	41.7	27%	0.273	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134.5	178.3	179.7	0	0	0	0	107.5	D525 L526 D527 A599	D525-V540 HydrophobicContact CB-CG1 4.28Å; L526-V540 CarbonylContact O-C 3.38Å; L526-V540 WeakPolarHBondContact O-CA 3.44Å; D527-V540 HydrophobicContact CB-CG2 4.21Å; V540-A599 HydrophobicContact CB-CB 4.39Å; V540-A599 HydrophobicContact CG1-CB 4.35Å; V540-A599 VanDerWaalsContact O-CB 3.23Å; V540-A599 WeakPolarHBondContact O-CB 3.48Å; V540-A599 PolarHBondContact O-N 3.19Å
541	Y	97.9	Very high	92.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	150.5	-172.3	-71.6	-95	0	0	0	113.7	F494 P495 L498 D525 L526 L528 A539 E597 L598	F494-Y541 WeakPolarHBondContact CB-OH 3.39Å; F494-Y541 AromaticContact CD1-CE2 3.92Å; F494-Y541 HydrophobicContact CD1-CE2 3.92Å; F494-Y541 HydrophobicContact CE1-CE2 4.49Å; P495-Y541 PolarHBondContact O-OH 3.26Å; L498-Y541 HydrophobicContact CB-CD1 4.04Å; L498-Y541 HydrophobicContact CB-CE1 3.54Å; L498-Y541 HydrophobicContact CD2-CD2 4.25Å; L498-Y541 HydrophobicContact CD2-CE1 4.34Å; L498-Y541 HydrophobicContact CD2-CE2 3.9Å; D525-Y541 PolarHBondContact N-O 2.87Å; L526-Y541 PolarHBondContact N-O 3.48Å; L526-Y541 PolarHBondContact O-N 3.14Å; L528-Y541 HydrophobicContact CD1-CD2 3.87Å; L528-Y541 HydrophobicContact CD1-CE2 3.85Å; L528-Y541 HydrophobicContact CG-CD2 4.32Å; A539-Y541 HydrophobicContact CB-CD2 4.38Å; A539-Y541 HydrophobicContact CB-CE2 3.65Å; Y541-E597 CarbonylContact C-O 3.56Å; Y541-E597 WeakPolarHBondContact CA-O 3.19Å; Y541-E597 VanDerWaalsContact CD1-C 3.45Å; Y541-E597 WeakPolarHBondContact CD1-O 3.16Å; Y541-L598 HydrophobicContact CD1-CB 4.25Å; Y541-L598 HydrophobicContact CD1-CD1 4.47Å; Y541-L598 HydrophobicContact CD2-CD1 4.49Å; Y541-L598 HydrophobicContact CE1-CB 3.95Å; Y541-L598 HydrophobicContact CE1-CD1 4.07Å; Y541-L598 HydrophobicContact CE2-CD1 4.13Å
542	N	98	Very high	92.2	Very high	21 Å²	21	42 Å²	42	11%	0.112	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141.9	168.9	-63.4	-70.3	0	0	0	110.4	R524 D525 Y596 E597 A599	R524-N542 WeakPolarHBondContact CA-OD1 3.43Å; R524-N542 VanDerWaalsContact CB-OD1 3.29Å; R524-N542 WeakPolarHBondContact CB-OD1 3.37Å; R524-N542 WeakPolarHBondContact CG-OD1 3.23Å; D525-N542 PolarHBondContact N-OD1 3.43Å; N542-Y596 CarbonylContact O-C 3.54Å; N542-Y596 VanDerWaalsContact O-CA 3.31Å; N542-Y596 WeakPolarHBondContact O-CA 3.38Å; N542-E597 HydrophobicContact CB-CG 4.34Å; N542-E597 PolarHBondContact N-O 2.83Å; N542-E597 PolarHBondContact O-N 3.23Å; N542-A599 WeakPolarHBondContact ND2-CB 3Å
543	L	98.6	Very high	91.6	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	131.5	177	-170.3	79.1	0	0	0	109.4	F521 L523 V546 W570 V586 L594 F595 Y596	F521-L543 HydrophobicContact CD2-CD2 3.79Å; F521-L543 HydrophobicContact CE2-CD2 3.52Å; L523-L543 HydrophobicContact CD2-CD2 3.6Å; L523-L543 WeakPolarHBondContact O-CB 3.28Å; L523-L543 PolarHBondContact O-N 3.42Å; L543-V546 HydrophobicContact CD1-CG2 4.31Å; L543-V546 HydrophobicContact CD2-CG2 3.68Å; L543-V546 HydrophobicContact CG-CG2 4.3Å; L543-W570 HydrophobicContact CB-CH2 4.47Å; L543-W570 HydrophobicContact CD2-CH2 3.9Å; L543-W570 HydrophobicContact CD2-CZ2 4.48Å; L543-W570 HydrophobicContact CG-CH2 4.04Å; L543-V586 HydrophobicContact CD2-CG1 4.12Å; L543-L594 HydrophobicContact CD1-CB 3.87Å; L543-L594 HydrophobicContact CD1-CD2 4.39Å; L543-F595 WeakPolarHBondContact CD1-O 3.43Å; L543-Y596 HydrophobicContact CB-CD1 4.07Å; L543-Y596 HydrophobicContact CB-CE1 3.66Å; L543-Y596 HydrophobicContact CD1-CD1 4.18Å; L543-Y596 HydrophobicContact CD1-CD2 3.89Å; L543-Y596 HydrophobicContact CD1-CE1 3.87Å; L543-Y596 HydrophobicContact CD1-CE2 3.57Å; L543-Y596 HydrophobicContact CD1-CG 4.19Å; L543-Y596 HydrophobicContact CG-CE1 4.37Å
544	Y	98.6	Very high	91	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.016	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	-19.7	175.5	73.6	-87.2	0	0	0	113.8	N287 T288 I497 C562 R563 F595 E597	N287-Y544 HydrophobicContact CB-CD2 4.47Å; T288-Y544 WeakPolarHBondContact CG2-OH 3.29Å; T288-Y544 VanDerWaalsContact OG1-CE2 3.32Å; T288-Y544 WeakPolarHBondContact OG1-CE2 3.18Å; T288-Y544 PolarHBondContact OG1-OH 3.38Å; I497-Y544 HydrophobicContact CD1-CE1 4.18Å; I497-Y544 HydrophobicContact CG2-CE1 4.17Å; I497-Y544 WeakPolarHBondContact CG2-OH 3.41Å; Y544-C562 WeakPolarHBondContact O-CA 3.24Å; Y544-R563 PolarHBondContact O-N 3.26Å; Y544-F595 HydrophobicContact CD1-CB 4.41Å; Y544-F595 VanDerWaalsContact CD1-O 3.27Å; Y544-F595 WeakPolarHBondContact CD1-O 3.37Å; Y544-F595 HydrophobicContact CE1-CB 3.79Å; Y544-F595 HydrophobicContact CE2-CB 4.15Å; Y544-F595 PolarHBondContact N-O 3.36Å; Y544-E597 HydrophobicContact CD1-CB 3.74Å; Y544-E597 HydrophobicContact CD1-CG 3.92Å; Y544-E597 HydrophobicContact CE1-CB 4.03Å
545	A	98.8	Very high	91	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	155.1	170.8	0	0	0	0	0	113.9	C284 Y561 C562 F595	C284-A545 HydrophobicContact CB-CB 3.91Å; A545-Y561 CarbonylContact C-O 3.55Å; A545-Y561 VanDerWaalsContact CA-O 3.23Å; A545-Y561 WeakPolarHBondContact CA-O 3.29Å; A545-C562 HydrophobicContact CB-CB 4.28Å; A545-F595 HydrophobicContact CB-CB 4Å; A545-F595 HydrophobicContact CB-CD2 4.26Å; A545-F595 HydrophobicContact CB-CG 4.33Å; A545-F595 PolarHBondContact N-O 3.08Å; A545-F595 WeakPolarHBondContact O-CB 3.47Å; A545-F595 PolarHBondContact O-N 3.42Å
546	V	98.9	Very high	91.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	125.4	174.8	179.2	0	0	0	0	108.6	F521 L543 A560 Y561 V586 A591 L593 L594	F521-V546 HydrophobicContact CE2-CG2 4.2Å; F521-V546 HydrophobicContact CZ-CG2 4.24Å; L543-V546 HydrophobicContact CD1-CG2 4.31Å; L543-V546 HydrophobicContact CD2-CG2 3.68Å; L543-V546 HydrophobicContact CG-CG2 4.3Å; V546-A560 CarbonylContact O-C 3.56Å; V546-A560 VanDerWaalsContact O-CA 3.3Å; V546-A560 WeakPolarHBondContact O-CA 3.44Å; V546-Y561 PolarHBondContact N-O 3.43Å; V546-Y561 PolarHBondContact O-N 3.47Å; V546-V586 HydrophobicContact CG2-CG1 4.01Å; V546-A591 HydrophobicContact CG1-CB 3.65Å; V546-L593 CarbonylContact C-O 3.6Å; V546-L593 WeakPolarHBondContact CA-O 3.39Å; V546-L594 HydrophobicContact CB-CD2 4.49Å; V546-L594 HydrophobicContact CG1-CD2 4.04Å; V546-L594 HydrophobicContact CG2-CD2 3.88Å
547	S	98.8	Very high	92.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	116.2	161.1	-175.3	0	0	0	0	107.9	S280 Y592 L593	S280-S547 WeakPolarHBondContact OG-CB 3.48Å; S280-S547 PolarHBondContact OG-OG 2.8Å; S547-Y592 WeakPolarHBondContact O-CA 3.33Å; S547-Y592 WeakPolarHBondContact O-CB 3.18Å; S547-Y592 PolarHBondContact O-N 3.48Å; S547-L593 PolarHBondContact N-O 3.24Å; S547-L593 PolarHBondContact O-N 3.43Å
548	N	98.6	Very high	93.7	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.016	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	150.9	173.5	-53.6	-89.6	0	0	0	109.6	Y558 T559 Y561 T588 D590 A591	N548-Y558 VanDerWaalsContact O-CA 3.26Å; N548-Y558 WeakPolarHBondContact O-CA 3.34Å; N548-Y558 WeakPolarHBondContact O-CD1 3.35Å; N548-T559 WeakPolarHBondContact CB-O 3.49Å; N548-T559 PolarHBondContact N-O 2.77Å; N548-T559 PolarHBondContact ND2-O 3.4Å; N548-T559 VanDerWaalsContact ND2-O 3.16Å; N548-T559 PolarHBondContact O-N 3.3Å; N548-T559 VanDerWaalsContact O-N 3.1Å; N548-Y561 WeakPolarHBondContact ND2-CD2 3.34Å; N548-Y561 VanDerWaalsContact ND2-CE2 3.3Å; N548-Y561 WeakPolarHBondContact ND2-CE2 3.33Å; N548-Y561 VanDerWaalsContact ND2-CG 3.33Å; N548-T588 PolarHBondContact OD1-OG1 3.38Å; N548-D590 CarbonylContact C-O 3.54Å; N548-D590 WeakPolarHBondContact CA-O 3.28Å; N548-D590 HydrophobicContact CB-CB 4.24Å; N548-A591 WeakPolarHBondContact OD1-CA 3.46Å; N548-A591 PolarHBondContact OD1-N 2.99Å
549	H	97.9	Very high	94.6	Very high	6 Å²	6	27.9 Å²	27.9	3%	0.028	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	118.3	170.3	179.8	-132.3	0	0	0	109.9	F505 K514 T552 H557 Y558 D590	F505-H549 AromaticContact CE1-CE1 3.94Å; F505-H549 AromaticContact CE1-ND1 3.85Å; F505-H549 AromaticContact CZ-CE1 3.64Å; F505-H549 AromaticContact CZ-ND1 3.42Å; F505-H549 WeakPolarHBondContact CZ-ND1 3.06Å; K514-H549 PolarHBondContact NZ-O 2.86Å; H549-T552 PolarHBondContact CE1-O 2.84Å; H549-T552 VanDerWaalsContact CE1-O 3.32Å; H549-H557 CarbonylContact C-O 3.54Å; H549-H557 WeakPolarHBondContact CA-O 3.42Å; H549-H557 PolarHBondContact CD2-O 3.24Å; H549-Y558 HydrophobicContact CB-CD1 3.72Å; H549-Y558 HydrophobicContact CB-CE1 3.56Å; H549-Y558 HydrophobicContact CB-CG 4.48Å; H549-Y558 AromaticContact CD2-CD1 3.94Å; H549-Y558 AromaticContact CD2-CD2 3.74Å; H549-Y558 AromaticContact CD2-CE1 3.75Å; H549-Y558 AromaticContact CD2-CE2 3.55Å; H549-Y558 AromaticContact CD2-CG 3.95Å; H549-Y558 AromaticContact CD2-CZ 3.57Å; H549-Y558 AromaticContact CG-CE1 3.71Å; H549-Y558 AromaticContact CG-CZ 3.83Å; H549-Y558 AromaticContact NE2-CE2 3.89Å; H549-D590 PolarHBondContact N-O 3.16Å; H549-D590 VanDerWaalsContact O-CB 3.26Å; H549-D590 WeakPolarHBondContact O-CB 3.22Å; H549-D590 VanDerWaalsContact O-OD1 3.09Å
550	S	95.8	Very high	94.9	Very high	45 Å²	45	27.7 Å²	27.7	32%	0.315	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	160.4	169.7	68.8	0	0	0	0	110.6	G556 H557 D590	S550-G556 CarbonylContact O-C 3.54Å; S550-G556 WeakPolarHBondContact O-CA 3.49Å; S550-H557 PolarHBondContact N-O 3.26Å; S550-H557 PolarHBondContact O-N 3.16Å; S550-H557 PolarHBondContact OG-O 3.02Å; S550-D590 WeakPolarHBondContact CA-OD2 3.5Å; S550-D590 VanDerWaalsContact CB-OD2 3.28Å; S550-D590 WeakPolarHBondContact CB-OD2 3.43Å
551	G	92.8	Very high	95	Very high	44 Å²	44	27.5 Å²	27.5	45%	0.454	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	89.5	-150.1	-176.3	0	0	0	0	0	114.8	K514	K514-G551 WeakPolarHBondContact CD-O 3.41Å; K514-G551 PolarHBondContact NZ-O 3.35Å
552	T	89.6	Confident	95	Very high	77 Å²	77	27.5 Å²	27.5	47%	0.472	17%	0.169	S	C	.	.			trans	-117.5	-173.3	-161.1	73.9	0	0	0	0	113.8	H549 M554 G555	H549-T552 PolarHBondContact CE1-O 2.84Å; H549-T552 VanDerWaalsContact CE1-O 3.32Å; T552-M554 VanDerWaalsContact C-N 3.32Å; T552-M554 PolarHBondContact OG1-N 2.96Å; T552-M554 VanDerWaalsContact OG1-N 3.16Å; T552-G555 PolarHBondContact N-O 2.84Å; T552-G555 PolarHBondContact OG1-N 3.12Å; T552-G555 PolarHBondContact OG1-O 2.75Å
553	T	82	Confident	95	Very high	40 Å²	40	30.3 Å²	30.3	25%	0.245	18%	0.178	C	C	.	.	S	Bend	trans	-72	-18.8	169.9	39	0	0	0	0	114.5	F505 T512 S513 K514	F505-T553 HydrophobicContact CB-CG2 4.42Å; F505-T553 HydrophobicContact CD1-CG2 3.58Å; F505-T553 HydrophobicContact CE1-CG2 4.27Å; F505-T553 HydrophobicContact CG-CG2 4.37Å; T512-T553 WeakPolarHBondContact OG1-CB 3.26Å; T512-T553 PolarHBondContact OG1-OG1 3.12Å; S513-T553 WeakPolarHBondContact O-CG2 3.38Å; K514-T553 HydrophobicContact CB-CG2 4.43Å
554	M	80.5	Confident	94.6	Very high	161 Å²	161	30.5 Å²	30.5	79%	0.793	18%	0.179	S	C	*	.	S	Bend	trans	-115.1	0.1	-172.1	-56.3	-88.1	64.8	0	0	113.1	T552	T552-M554 VanDerWaalsContact C-N 3.32Å; T552-M554 PolarHBondContact OG1-N 2.96Å; T552-M554 VanDerWaalsContact OG1-N 3.16Å
555	G	82.8	Confident	94	Very high	30 Å²	30	32.5 Å²	32.5	31%	0.309	19%	0.193	S	C	.	.	S	Bend	trans	171.2	131.1	-175.5	0	0	0	0	0	110.6	T552	T552-G555 PolarHBondContact N-O 2.84Å; T552-G555 PolarHBondContact OG1-N 3.12Å; T552-G555 PolarHBondContact OG1-O 2.75Å
556	G	93.1	Very high	93.1	Very high	19 Å²	19	35.7 Å²	35.7	20%	0.196	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	-160.8	-177.3	0	0	0	0	0	112.3	Q355 S550	Q355-G556 PolarHBondContact NE2-O 3.39Å; Q355-G556 PolarHBondContact OE1-O 3.26Å; S550-G556 CarbonylContact O-C 3.54Å; S550-G556 WeakPolarHBondContact O-CA 3.49Å
557	H	97.7	Very high	92.6	Very high	54 Å²	54	40.1 Å²	40.1	25%	0.25	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	142.7	178.8	-174.1	57	0	0	0	111.2	C276 H549 S550 N574 D575	C276-H557 WeakPolarHBondContact CB-CE1 3.42Å; C276-H557 WeakPolarHBondContact CB-ND1 3.39Å; C276-H557 PolarHBondContact SG-ND1 2.9Å; H549-H557 CarbonylContact C-O 3.54Å; H549-H557 WeakPolarHBondContact CA-O 3.42Å; H549-H557 PolarHBondContact CD2-O 3.24Å; S550-H557 PolarHBondContact N-O 3.26Å; S550-H557 PolarHBondContact O-N 3.16Å; S550-H557 PolarHBondContact OG-O 3.02Å; H557-N574 PolarHBondContact NE2-OD1 3.08Å; H557-D575 IonicContact CE1-OD2 3.8Å; H557-D575 PolarHBondContact CE1-OD2 3.04Å
558	Y	98.6	Very high	92.2	Very high	9 Å²	9	41 Å²	41	4%	0.035	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	141.6	-178.6	-69.9	-93.2	0	0	0	111.8	F277 Q356 A358 N548 H549 Y592	F277-Y558 HydrophobicContact CB-CD2 3.58Å; F277-Y558 HydrophobicContact CB-CE2 3.64Å; F277-Y558 HydrophobicContact CB-CG 4.14Å; Q356-Y558 PolarHBondContact O-OH 3.02Å; A358-Y558 HydrophobicContact CB-CD1 3.83Å; A358-Y558 HydrophobicContact CB-CE1 3.36Å; A358-Y558 PolarHBondContact N-OH 2.88Å; N548-Y558 VanDerWaalsContact O-CA 3.26Å; N548-Y558 WeakPolarHBondContact O-CA 3.34Å; N548-Y558 WeakPolarHBondContact O-CD1 3.35Å; H549-Y558 HydrophobicContact CB-CD1 3.72Å; H549-Y558 HydrophobicContact CB-CE1 3.56Å; H549-Y558 HydrophobicContact CB-CG 4.48Å; H549-Y558 AromaticContact CD2-CD1 3.94Å; H549-Y558 AromaticContact CD2-CD2 3.74Å; H549-Y558 AromaticContact CD2-CE1 3.75Å; H549-Y558 AromaticContact CD2-CE2 3.55Å; H549-Y558 AromaticContact CD2-CG 3.95Å; H549-Y558 AromaticContact CD2-CZ 3.57Å; H549-Y558 AromaticContact CG-CE1 3.71Å; H549-Y558 AromaticContact CG-CZ 3.83Å; H549-Y558 AromaticContact NE2-CE2 3.89Å; Y558-Y592 AromaticContact CE1-CD1 3.98Å; Y558-Y592 HydrophobicContact CE1-CD1 3.98Å; Y558-Y592 HydrophobicContact CE1-CE1 4.41Å
559	T	98.7	Very high	92	Very high	23 Å²	23	46.3 Å²	46.3	14%	0.141	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	142	174.7	58.3	0	0	0	0	110.6	S280 N548 N574	S280-T559 PolarHBondContact OG-O 3.3Å; N548-T559 WeakPolarHBondContact CB-O 3.49Å; N548-T559 PolarHBondContact N-O 2.77Å; N548-T559 PolarHBondContact ND2-O 3.4Å; N548-T559 VanDerWaalsContact ND2-O 3.16Å; N548-T559 PolarHBondContact O-N 3.3Å; N548-T559 VanDerWaalsContact O-N 3.1Å; T559-N574 HydrophobicContact CG2-CB 3.94Å; T559-N574 WeakPolarHBondContact CG2-OD1 3.25Å
560	A	98.8	Very high	92	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	132.5	177.5	0	0	0	0	0	110.9	S280 Q283 V546 T572 F573	S280-A560 WeakPolarHBondContact O-CB 3.32Å; S280-A560 PolarHBondContact OG-N 3.31Å; Q283-A560 HydrophobicContact CB-CB 3.89Å; V546-A560 CarbonylContact O-C 3.56Å; V546-A560 VanDerWaalsContact O-CA 3.3Å; V546-A560 WeakPolarHBondContact O-CA 3.44Å; A560-T572 CarbonylContact O-C 3.48Å; A560-T572 WeakPolarHBondContact O-CA 3.42Å; A560-F573 HydrophobicContact CB-CB 4.33Å; A560-F573 PolarHBondContact N-O 2.94Å; A560-F573 PolarHBondContact O-N 2.89Å
561	Y	98.8	Very high	92.1	Very high	40 Å²	40	45.4 Å²	45.4	16%	0.157	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	119.4	162.7	-56.3	-22.3	0	0	0	107.3	A545 V546 N548 H571 T572 M581 V586 T588	A545-Y561 CarbonylContact C-O 3.55Å; A545-Y561 VanDerWaalsContact CA-O 3.23Å; A545-Y561 WeakPolarHBondContact CA-O 3.29Å; V546-Y561 PolarHBondContact N-O 3.43Å; V546-Y561 PolarHBondContact O-N 3.47Å; N548-Y561 WeakPolarHBondContact ND2-CD2 3.34Å; N548-Y561 VanDerWaalsContact ND2-CE2 3.3Å; N548-Y561 WeakPolarHBondContact ND2-CE2 3.33Å; N548-Y561 VanDerWaalsContact ND2-CG 3.33Å; Y561-H571 WeakPolarHBondContact CA-O 3.33Å; Y561-T572 WeakPolarHBondContact CE1-OG1 3.38Å; Y561-M581 HydrophobicContact CD1-CE 4.01Å; Y561-M581 HydrophobicContact CD1-SD 3.65Å; Y561-M581 HydrophobicContact CD2-CE 3.71Å; Y561-M581 HydrophobicContact CD2-SD 4.18Å; Y561-M581 HydrophobicContact CE1-CE 4.16Å; Y561-M581 HydrophobicContact CE1-SD 4.23Å; Y561-M581 HydrophobicContact CE2-CE 3.84Å; Y561-M581 HydrophobicContact CG-CE 3.79Å; Y561-M581 HydrophobicContact CG-SD 3.62Å; Y561-V586 HydrophobicContact CD2-CG1 4.46Å; Y561-T588 HydrophobicContact CE2-CG2 3.81Å
562	C	98.5	Very high	92.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.6	179.4	-53.3	0	0	0	0	111.2	N287 Y544 A545 H571 F573	N287-C562 HydrophobicContact CB-CB 3.97Å; N287-C562 WeakPolarHBondContact ND2-CB 3.38Å; Y544-C562 WeakPolarHBondContact O-CA 3.24Å; A545-C562 HydrophobicContact CB-CB 4.28Å; C562-H571 PolarHBondContact N-O 3.29Å; C562-H571 PolarHBondContact O-N 2.97Å; C562-F573 HydrophobicContact CB-CD2 4.23Å; C562-F573 HydrophobicContact CB-CE2 3.76Å
563	R	97.1	Very high	92.8	Very high	81 Å²	81	41.2 Å²	41.2	31%	0.306	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118.7	172.3	-168.7	-179.2	174.6	-124.6	-7.6	108.4	Y544 P565 G568 E569 W570	Y544-R563 PolarHBondContact O-N 3.26Å; R563-P565 VanDerWaalsContact O-CD 3.26Å; R563-P565 WeakPolarHBondContact O-CD 3.41Å; R563-G568 VanDerWaalsContact CG-O 3.23Å; R563-G568 WeakPolarHBondContact CG-O 3.49Å; R563-G568 PolarHBondContact NE-O 3.1Å; R563-E569 WeakPolarHBondContact CA-O 3.41Å; R563-W570 HydrophobicContact CB-CD2 3.83Å; R563-W570 HydrophobicContact CB-CE3 4.01Å; R563-W570 HydrophobicContact CB-CG 4.43Å; R563-W570 HydrophobicContact CB-CH2 4Å; R563-W570 HydrophobicContact CB-CZ2 3.82Å; R563-W570 HydrophobicContact CB-CZ3 4.09Å; R563-W570 HydrophobicContact CG-CD2 4.29Å; R563-W570 HydrophobicContact CG-CZ2 4.31Å
564	S	91.6	Very high	93.6	Very high	4 Å²	4	42.8 Å²	42.8	3%	0.028	25%	0.248	C	C	.	.			trans	-63.1	122.3	178.3	179.6	0	0	0	0	109.9	G566 G568 E569	S564-G566 PolarHBondContact O-N 3.16Å; S564-G566 VanDerWaalsContact O-N 3.09Å; S564-G568 VanDerWaalsContact O-CA 3.31Å; S564-G568 WeakPolarHBondContact O-CA 3.27Å; S564-G568 PolarHBondContact O-N 3.06Å; S564-E569 PolarHBondContact N-O 3.33Å
565	P	84.3	Confident	94.5	Very high	47 Å²	47	36.2 Å²	36.2	31%	0.305	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-8.8	179.4	-22.9	34.8	0	0	0	114.5	N287 R563	N287-P565 WeakPolarHBondContact O-CG 3.31Å; R563-P565 VanDerWaalsContact O-CD 3.26Å; R563-P565 WeakPolarHBondContact O-CD 3.41Å
566	G	80.9	Confident	95.2	Very high	67 Å²	67	37.1 Å²	37.1	69%	0.691	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-48.8	177.8	0	0	0	0	0	113.5	S564	S564-G566 PolarHBondContact O-N 3.16Å; S564-G566 VanDerWaalsContact O-N 3.09Å
567	T	87.8	Confident	95.4	Very high	92 Å²	92	39.1 Å²	39.1	56%	0.564	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-22.7	-178.5	59	0	0	0	0	113.4	E569	T567-E569 PolarHBondContact OG1-N 3.08Å
568	G	90.4	Very high	95.4	Very high	18 Å²	18	37 Å²	37	19%	0.186	22%	0.22	C	C	.	.			trans	79.9	0.9	-170.9	0	0	0	0	0	114.7	R563 S564	R563-G568 VanDerWaalsContact CG-O 3.23Å; R563-G568 WeakPolarHBondContact CG-O 3.49Å; R563-G568 PolarHBondContact NE-O 3.1Å; S564-G568 VanDerWaalsContact O-CA 3.31Å; S564-G568 WeakPolarHBondContact O-CA 3.27Å; S564-G568 PolarHBondContact O-N 3.06Å
569	E	94.8	Very high	95.3	Very high	116 Å²	116	39.6 Å²	39.6	54%	0.542	24%	0.237	S	C	.	.			trans	-84.5	145.8	-177.8	-67.2	-56.1	147.6	0	0	113.3	R563 S564 T567 H571	R563-E569 WeakPolarHBondContact CA-O 3.41Å; S564-E569 PolarHBondContact N-O 3.33Å; T567-E569 PolarHBondContact OG1-N 3.08Å; E569-H571 PolarHBondContact O-ND1 3.19Å
570	W	98.3	Very high	95.2	Very high	15 Å²	15	43.3 Å²	43.3	6%	0.057	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	138.9	179.3	-72.1	88.5	0	0	0	112.1	L543 R563 M581 V586	L543-W570 HydrophobicContact CB-CH2 4.47Å; L543-W570 HydrophobicContact CD2-CH2 3.9Å; L543-W570 HydrophobicContact CD2-CZ2 4.48Å; L543-W570 HydrophobicContact CG-CH2 4.04Å; R563-W570 HydrophobicContact CB-CD2 3.83Å; R563-W570 HydrophobicContact CB-CE3 4.01Å; R563-W570 HydrophobicContact CB-CG 4.43Å; R563-W570 HydrophobicContact CB-CH2 4Å; R563-W570 HydrophobicContact CB-CZ2 3.82Å; R563-W570 HydrophobicContact CB-CZ3 4.09Å; R563-W570 HydrophobicContact CG-CD2 4.29Å; R563-W570 HydrophobicContact CG-CZ2 4.31Å; W570-M581 HydrophobicContact CB-CG 3.67Å; W570-M581 HydrophobicContact CB-SD 4.47Å; W570-M581 PolarHBondContact O-N 3.13Å; W570-V586 HydrophobicContact CB-CG2 4.25Å; W570-V586 HydrophobicContact CD2-CG1 4.46Å; W570-V586 HydrophobicContact CD2-CG2 3.5Å; W570-V586 HydrophobicContact CE3-CG1 4.04Å; W570-V586 HydrophobicContact CE3-CG2 3.63Å; W570-V586 HydrophobicContact CG-CG2 3.79Å; W570-V586 HydrophobicContact CH2-CG1 3.93Å; W570-V586 HydrophobicContact CZ2-CG1 4.34Å; W570-V586 HydrophobicContact CZ3-CG1 3.76Å; W570-V586 HydrophobicContact CZ3-CG2 4.22Å
571	H	98.1	Very high	95.2	Very high	17 Å²	17	44.3 Å²	44.3	8%	0.079	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141.5	176.9	-63.1	75.2	0	0	0	109.6	L266 Y561 C562 E569 F573 V578 T579	L266-H571 HydrophobicContact CD2-CB 4.15Å; Y561-H571 WeakPolarHBondContact CA-O 3.33Å; C562-H571 PolarHBondContact N-O 3.29Å; C562-H571 PolarHBondContact O-N 2.97Å; E569-H571 PolarHBondContact O-ND1 3.19Å; H571-F573 HydrophobicContact CB-CD2 4.39Å; H571-F573 HydrophobicContact CB-CE2 3.67Å; H571-F573 HydrophobicContact CB-CZ 4.1Å; H571-V578 HydrophobicContact CB-CG1 4.27Å; H571-T579 CarbonylContact C-O 3.59Å; H571-T579 WeakPolarHBondContact CA-O 3.21Å
572	T	98.4	Very high	95.1	Very high	27 Å²	27	45 Å²	45	17%	0.166	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	133.4	168.3	172.6	0	0	0	0	109.8	A560 Y561 V578 T579	A560-T572 CarbonylContact O-C 3.48Å; A560-T572 WeakPolarHBondContact O-CA 3.42Å; Y561-T572 WeakPolarHBondContact CE1-OG1 3.38Å; T572-V578 WeakPolarHBondContact O-CA 3.4Å; T572-T579 WeakPolarHBondContact CG2-O 3.37Å; T572-T579 WeakPolarHBondContact CG2-OG1 3.49Å; T572-T579 PolarHBondContact N-O 3.21Å; T572-T579 PolarHBondContact O-N 3.24Å
573	F	98.5	Very high	95	Very high	5 Å²	5	48 Å²	48	2%	0.022	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	106.3	178	-60.7	-102.9	0	0	0	107.8	L266 Q283 A560 C562 H571 V578	L266-F573 HydrophobicContact CD2-CZ 3.98Å; Q283-F573 HydrophobicContact CB-CB 4.28Å; Q283-F573 HydrophobicContact CB-CD1 4.47Å; Q283-F573 HydrophobicContact CB-CG 4.23Å; Q283-F573 VanDerWaalsContact CD-CD1 3.41Å; Q283-F573 HydrophobicContact CG-CB 3.87Å; Q283-F573 HydrophobicContact CG-CD1 3.94Å; Q283-F573 HydrophobicContact CG-CG 4Å; Q283-F573 VanDerWaalsContact NE2-CD1 3.31Å; A560-F573 HydrophobicContact CB-CB 4.33Å; A560-F573 PolarHBondContact N-O 2.94Å; A560-F573 PolarHBondContact O-N 2.89Å; C562-F573 HydrophobicContact CB-CD2 4.23Å; C562-F573 HydrophobicContact CB-CE2 3.76Å; H571-F573 HydrophobicContact CB-CD2 4.39Å; H571-F573 HydrophobicContact CB-CE2 3.67Å; H571-F573 HydrophobicContact CB-CZ 4.1Å; F573-V578 HydrophobicContact CD1-CB 4.31Å; F573-V578 HydrophobicContact CD1-CG1 3.85Å; F573-V578 HydrophobicContact CD1-CG2 3.54Å; F573-V578 HydrophobicContact CE1-CB 4.48Å; F573-V578 HydrophobicContact CE1-CG1 3.68Å; F573-V578 HydrophobicContact CE1-CG2 3.91Å; F573-V578 HydrophobicContact CG-CG1 4.39Å; F573-V578 HydrophobicContact CG-CG2 4.4Å; F573-V578 HydrophobicContact CZ-CG1 4.05Å
574	N	98.4	Very high	95	Very high	73 Å²	73	48.2 Å²	48.2	39%	0.39	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	83.7	-178.3	-179	17.9	0	0	0	108.4	H557 T559 S576 S577	H557-N574 PolarHBondContact NE2-OD1 3.08Å; T559-N574 HydrophobicContact CG2-CB 3.94Å; T559-N574 WeakPolarHBondContact CG2-OD1 3.25Å; N574-S576 PolarHBondContact O-N 2.7Å; N574-S576 VanDerWaalsContact O-N 3.12Å; N574-S577 PolarHBondContact N-O 2.94Å; N574-S577 PolarHBondContact O-N 3.04Å
575	D	98.3	Very high	95.2	Very high	23 Å²	23	53.2 Å²	53.2	12%	0.123	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	-113.9	-166.6	-68.4	-41.8	0	0	0	111.5	G268 L269 N271 C276 N279 H557 S577	G268-D575 CarbonylContact C-O 3.57Å; G268-D575 WeakPolarHBondContact CA-O 3.38Å; L269-D575 PolarHBondContact N-O 2.97Å; L269-D575 CarbonylContact O-C 2.92Å; L269-D575 WeakPolarHBondContact O-CA 3.46Å; L269-D575 WeakPolarHBondContact O-CB 3.14Å; N271-D575 HydrophobicContact CB-CB 4.16Å; N271-D575 WeakPolarHBondContact CB-OD2 3.43Å; N271-D575 PolarHBondContact ND2-OD2 3.19Å; C276-D575 WeakPolarHBondContact CA-OD1 3.44Å; N279-D575 PolarHBondContact ND2-OD1 3.49Å; H557-D575 IonicContact CE1-OD2 3.8Å; H557-D575 PolarHBondContact CE1-OD2 3.04Å; D575-S577 VanDerWaalsContact C-N 3.25Å; D575-S577 PolarHBondContact O-N 3.18Å
576	S	97.9	Very high	95.8	Very high	50 Å²	50	51 Å²	51	35%	0.35	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-14	-178.2	-52	0	0	0	0	114	L269 N574	L269-S576 PolarHBondContact O-N 3.5Å; L269-S576 VanDerWaalsContact O-N 3.12Å; N574-S576 PolarHBondContact O-N 2.7Å; N574-S576 VanDerWaalsContact O-N 3.12Å
577	S	97.8	Very high	96.7	Very high	61 Å²	61	52.2 Å²	52.2	43%	0.427	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.6	-177.4	-173.7	0	0	0	0	110.9	N574 D575	N574-S577 PolarHBondContact N-O 2.94Å; N574-S577 PolarHBondContact O-N 3.04Å; D575-S577 VanDerWaalsContact C-N 3.25Å; D575-S577 PolarHBondContact O-N 3.18Å
578	V	97.7	Very high	97.1	Very high	8 Å²	8	49.1 Å²	49.1	5%	0.048	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.2	171.6	-173	0	0	0	0	107.8	L266 N331 H571 T572 F573	L266-V578 HydrophobicContact CB-CG1 4.31Å; L266-V578 HydrophobicContact CD2-CG1 4.19Å; N331-V578 PolarHBondContact OD1-O 3.09Å; H571-V578 HydrophobicContact CB-CG1 4.27Å; T572-V578 WeakPolarHBondContact O-CA 3.4Å; F573-V578 HydrophobicContact CD1-CB 4.31Å; F573-V578 HydrophobicContact CD1-CG1 3.85Å; F573-V578 HydrophobicContact CD1-CG2 3.54Å; F573-V578 HydrophobicContact CE1-CB 4.48Å; F573-V578 HydrophobicContact CE1-CG1 3.68Å; F573-V578 HydrophobicContact CE1-CG2 3.91Å; F573-V578 HydrophobicContact CG-CG1 4.39Å; F573-V578 HydrophobicContact CG-CG2 4.4Å; F573-V578 HydrophobicContact CZ-CG1 4.05Å
579	T	96.9	Very high	97.4	Very high	64 Å²	64	50.6 Å²	50.6	39%	0.393	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	144.5	173.6	63.7	0	0	0	0	111.4	H571 T572	H571-T579 CarbonylContact C-O 3.59Å; H571-T579 WeakPolarHBondContact CA-O 3.21Å; T572-T579 WeakPolarHBondContact CG2-O 3.37Å; T572-T579 WeakPolarHBondContact CG2-OG1 3.49Å; T572-T579 PolarHBondContact N-O 3.21Å; T572-T579 PolarHBondContact O-N 3.24Å
580	P	97	Very high	97.5	Very high	102 Å²	102	47.1 Å²	47.1	66%	0.662	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.8	150.4	169.3	-22.4	33.8	0	0	0	111.8
581	M	97.3	Very high	97.5	Very high	20 Å²	20	46.4 Å²	46.4	10%	0.099	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	152.6	176.1	67.1	-177.2	-63	0	0	111.3	Y561 W570 Q585 V586	Y561-M581 HydrophobicContact CD1-CE 4.01Å; Y561-M581 HydrophobicContact CD1-SD 3.65Å; Y561-M581 HydrophobicContact CD2-CE 3.71Å; Y561-M581 HydrophobicContact CD2-SD 4.18Å; Y561-M581 HydrophobicContact CE1-CE 4.16Å; Y561-M581 HydrophobicContact CE1-SD 4.23Å; Y561-M581 HydrophobicContact CE2-CE 3.84Å; Y561-M581 HydrophobicContact CG-CE 3.79Å; Y561-M581 HydrophobicContact CG-SD 3.62Å; W570-M581 HydrophobicContact CB-CG 3.67Å; W570-M581 HydrophobicContact CB-SD 4.47Å; W570-M581 PolarHBondContact O-N 3.13Å; M581-Q585 HydrophobicContact CE-CB 3.71Å; M581-V586 HydrophobicContact CE-CG2 3.95Å; M581-V586 HydrophobicContact SD-CG2 4.46Å
582	S	97.2	Very high	97.5	Very high	55 Å²	55	45.8 Å²	45.8	39%	0.385	27%	0.272	S	S	.	.			trans	-70.1	144.5	172.7	175.3	0	0	0	0	111	S584 Q585	S582-S584 WeakPolarHBondContact CB-OG 3.45Å; S582-S584 PolarHBondContact O-N 3.1Å; S582-S584 VanDerWaalsContact O-N 3.14Å; S582-S584 PolarHBondContact OG-N 3.2Å; S582-S584 VanDerWaalsContact OG-N 3.15Å; S582-S584 PolarHBondContact OG-OG 3.31Å; S582-Q585 WeakPolarHBondContact O-CB 3.48Å; S582-Q585 PolarHBondContact O-N 3.12Å
583	S	96.6	Very high	97.5	Very high	62 Å²	62	44.5 Å²	44.5	43%	0.434	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-56.3	-26.9	169.8	61.9	0	0	0	0	112.8	L523 Q585 V586	L523-S583 WeakPolarHBondContact CD1-O 3.41Å; S583-Q585 PolarHBondContact O-N 3.01Å; S583-V586 PolarHBondContact O-N 2.57Å
584	S	96.2	Very high	97.5	Very high	87 Å²	87	44.2 Å²	44.2	61%	0.608	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-65.5	-22.9	174	61.3	0	0	0	0	114	S582	S582-S584 WeakPolarHBondContact CB-OG 3.45Å; S582-S584 PolarHBondContact O-N 3.1Å; S582-S584 VanDerWaalsContact O-N 3.14Å; S582-S584 PolarHBondContact OG-N 3.2Å; S582-S584 VanDerWaalsContact OG-N 3.15Å; S582-S584 PolarHBondContact OG-OG 3.31Å
585	Q	96.4	Very high	97.6	Very high	109 Å²	109	40.8 Å²	40.8	51%	0.509	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-90	-7.6	-178.3	-61.8	170.9	-73.6	0	0	113.3	M581 S582 S583 R587	M581-Q585 HydrophobicContact CE-CB 3.71Å; S582-Q585 WeakPolarHBondContact O-CB 3.48Å; S582-Q585 PolarHBondContact O-N 3.12Å; S583-Q585 PolarHBondContact O-N 3.01Å; Q585-R587 VanDerWaalsContact C-N 3.3Å; Q585-R587 PolarHBondContact O-N 2.98Å
586	V	97.9	Very high	97.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-70.3	-27.3	-174.9	179.1	0	0	0	0	112.2	F521 L523 L543 V546 Y561 W570 M581 S583	F521-V586 HydrophobicContact CE2-CG1 4.4Å; F521-V586 WeakPolarHBondContact CZ-O 3.48Å; L523-V586 HydrophobicContact CD2-CB 4.07Å; L523-V586 HydrophobicContact CD2-CG1 3.82Å; L543-V586 HydrophobicContact CD2-CG1 4.12Å; V546-V586 HydrophobicContact CG2-CG1 4.01Å; Y561-V586 HydrophobicContact CD2-CG1 4.46Å; W570-V586 HydrophobicContact CB-CG2 4.25Å; W570-V586 HydrophobicContact CD2-CG1 4.46Å; W570-V586 HydrophobicContact CD2-CG2 3.5Å; W570-V586 HydrophobicContact CE3-CG1 4.04Å; W570-V586 HydrophobicContact CE3-CG2 3.63Å; W570-V586 HydrophobicContact CG-CG2 3.79Å; W570-V586 HydrophobicContact CH2-CG1 3.93Å; W570-V586 HydrophobicContact CZ2-CG1 4.34Å; W570-V586 HydrophobicContact CZ3-CG1 3.76Å; W570-V586 HydrophobicContact CZ3-CG2 4.22Å; M581-V586 HydrophobicContact CE-CG2 3.95Å; M581-V586 HydrophobicContact SD-CG2 4.46Å; S583-V586 PolarHBondContact O-N 2.57Å
587	R	98	Very high	97.6	Very high	93 Å²	93	39.9 Å²	39.9	35%	0.351	23%	0.234	S	C	.	.			trans	-85.1	114.7	178	-64.7	179.8	178.4	115.8	-9.9	110.6	F518 N520 F521 L523 Q585	F518-R587 HydrophobicContact CE2-CB 4.18Å; F518-R587 HydrophobicContact CZ-CB 4.03Å; N520-R587 WeakPolarHBondContact OD1-CD 3.4Å; N520-R587 PolarHBondContact OD1-NE 2.85Å; F521-R587 HydrophobicContact CD2-CG 4.39Å; F521-R587 HydrophobicContact CE2-CG 4.04Å; F521-R587 HydrophobicContact CZ-CB 4.38Å; F521-R587 HydrophobicContact CZ-CG 4.17Å; F521-R587 PolarHBondContact O-NE 3.41Å; F521-R587 PolarHBondContact O-NH2 3.25Å; L523-R587 HydrophobicContact CD2-CG 4.38Å; Q585-R587 VanDerWaalsContact C-N 3.3Å; Q585-R587 PolarHBondContact O-N 2.98Å
588	T	96.9	Very high	97.5	Very high	27 Å²	27	40.6 Å²	40.6	17%	0.166	23%	0.233	C	C	.	.			trans	-136.3	164.5	179.7	71.9	0	0	0	0	111.8	N548 Y561 D590 A591	N548-T588 PolarHBondContact OD1-OG1 3.38Å; Y561-T588 HydrophobicContact CE2-CG2 3.81Å; T588-D590 PolarHBondContact O-N 2.95Å; T588-D590 PolarHBondContact OG1-N 3.23Å; T588-A591 PolarHBondContact OG1-N 3.11Å
589	S	96.4	Very high	97.2	Very high	48 Å²	48	41.3 Å²	41.3	34%	0.336	24%	0.239	S	C	.	.	S	Bend	trans	-69.2	-16.4	166.9	49.4	0	0	0	0	113.7	R504 T516	R504-S589 PolarHBondContact NE-O 3.01Å; R504-S589 PolarHBondContact NH1-O 3.48Å; R504-S589 VanDerWaalsContact NH1-O 3.16Å; R504-S589 PolarHBondContact NH2-O 3.4Å; R504-S589 VanDerWaalsContact NH2-O 3.15Å; T516-S589 WeakPolarHBondContact O-CB 3.29Å
590	D	97.3	Very high	96.2	Very high	44 Å²	44	43.4 Å²	43.4	24%	0.235	26%	0.257	C	S	.	.	S	Bend	trans	-93.7	-15	-176.4	-78.8	-19.8	0	0	0	113	K514 N548 H549 S550 T588 Y592	K514-D590 IonicContact NZ-OD1 2.83Å; K514-D590 PolarHBondContact NZ-OD1 3.48Å; N548-D590 CarbonylContact C-O 3.54Å; N548-D590 WeakPolarHBondContact CA-O 3.28Å; N548-D590 HydrophobicContact CB-CB 4.24Å; H549-D590 PolarHBondContact N-O 3.16Å; H549-D590 VanDerWaalsContact O-CB 3.26Å; H549-D590 WeakPolarHBondContact O-CB 3.22Å; H549-D590 VanDerWaalsContact O-OD1 3.09Å; S550-D590 WeakPolarHBondContact CA-OD2 3.5Å; S550-D590 VanDerWaalsContact CB-OD2 3.28Å; S550-D590 WeakPolarHBondContact CB-OD2 3.43Å; T588-D590 PolarHBondContact O-N 2.95Å; T588-D590 PolarHBondContact OG1-N 3.23Å; D590-Y592 PolarHBondContact O-N 2.8Å; D590-Y592 VanDerWaalsContact O-N 3.16Å
591	A	98.3	Very high	94.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.3	119.8	173.5	0	0	0	0	0	111.1	R504 F521 V546 N548 T588 L594	R504-A591 VanDerWaalsContact CZ-O 3.27Å; R504-A591 PolarHBondContact NE-O 3.05Å; R504-A591 PolarHBondContact NH2-O 3.41Å; F521-A591 HydrophobicContact CE1-CB 3.6Å; F521-A591 HydrophobicContact CZ-CB 3.95Å; V546-A591 HydrophobicContact CG1-CB 3.65Å; N548-A591 WeakPolarHBondContact OD1-CA 3.46Å; N548-A591 PolarHBondContact OD1-N 2.99Å; T588-A591 PolarHBondContact OG1-N 3.11Å; A591-L594 HydrophobicContact CB-CD2 4.25Å
592	Y	98.4	Very high	91.5	Very high	3 Å²	3	48.6 Å²	48.6	1%	0.012	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-43.7	-168.3	177.4	-124.1	0	0	0	112.5	D357 A358 Q359 H501 L502 R504 F505 S547 Y558 D590	D357-Y592 PolarHBondContact OD2-OH 3.44Å; A358-Y592 HydrophobicContact CB-CD1 4.46Å; A358-Y592 HydrophobicContact CB-CE1 4.36Å; Q359-Y592 HydrophobicContact CB-CE1 4.4Å; H501-Y592 AromaticContact CD2-CE2 3.34Å; H501-Y592 WeakPolarHBondContact CD2-CE2 3.25Å; H501-Y592 AromaticContact CD2-CZ 3.57Å; H501-Y592 PolarHBondContact CD2-OH 3.01Å; H501-Y592 AromaticContact NE2-CE2 3.24Å; H501-Y592 WeakPolarHBondContact NE2-CE2 3.29Å; H501-Y592 AromaticContact NE2-CZ 3.41Å; H501-Y592 PolarHBondContact NE2-OH 3.27Å; L502-Y592 PolarHBondContact N-O 3.31Å; L502-Y592 WeakPolarHBondContact O-CD2 3.42Å; L502-Y592 WeakPolarHBondContact O-CE2 3.45Å; R504-Y592 HydrophobicContact CB-CD2 4.37Å; R504-Y592 HydrophobicContact CG-CD2 4.31Å; F505-Y592 HydrophobicContact CD2-CE2 4.25Å; F505-Y592 HydrophobicContact CE2-CE1 4.35Å; F505-Y592 AromaticContact CE2-CE2 3.98Å; F505-Y592 HydrophobicContact CE2-CE2 3.98Å; F505-Y592 AromaticContact CE2-CZ 3.81Å; S547-Y592 WeakPolarHBondContact O-CA 3.33Å; S547-Y592 WeakPolarHBondContact O-CB 3.18Å; S547-Y592 PolarHBondContact O-N 3.48Å; Y558-Y592 AromaticContact CE1-CD1 3.98Å; Y558-Y592 HydrophobicContact CE1-CD1 3.98Å; Y558-Y592 HydrophobicContact CE1-CE1 4.41Å; D590-Y592 PolarHBondContact O-N 2.8Å; D590-Y592 VanDerWaalsContact O-N 3.16Å
593	L	98.8	Very high	88.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	132.2	169.9	-55.2	169.7	0	0	0	109.4	I281 A358 Q359 L362 L500 H501 V546 S547 F595	I281-L593 HydrophobicContact CD1-CD1 3.44Å; I281-L593 VanDerWaalsContact CD1-CD1 3.44Å; A358-L593 HydrophobicContact CB-CD1 4.25Å; Q359-L593 HydrophobicContact CB-CD2 4.02Å; Q359-L593 HydrophobicContact CG-CD2 4.1Å; L362-L593 HydrophobicContact CD2-CD1 4.3Å; L500-L593 WeakPolarHBondContact O-CA 3.22Å; H501-L593 HydrophobicContact CB-CD2 3.52Å; V546-L593 CarbonylContact C-O 3.6Å; V546-L593 WeakPolarHBondContact CA-O 3.39Å; S547-L593 PolarHBondContact N-O 3.24Å; S547-L593 PolarHBondContact O-N 3.43Å; L593-F595 HydrophobicContact CB-CE2 3.95Å
594	L	98.9	Very high	85.4	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.8	175.9	-52.5	176.1	0	0	0	109	L455 V499 L500 F521 L543 V546 A591 Y596	L455-L594 HydrophobicContact CD1-CD1 4Å; L455-L594 HydrophobicContact CD2-CD1 4.03Å; V499-L594 WeakPolarHBondContact CA-O 3.32Å; L500-L594 HydrophobicContact CB-CB 4.34Å; L500-L594 PolarHBondContact N-O 3.11Å; L500-L594 PolarHBondContact O-N 3.26Å; F521-L594 HydrophobicContact CB-CD1 3.84Å; F521-L594 HydrophobicContact CD1-CD1 3.92Å; F521-L594 HydrophobicContact CD1-CD2 3.93Å; F521-L594 HydrophobicContact CD2-CD1 4.39Å; F521-L594 HydrophobicContact CD2-CD2 4.13Å; F521-L594 HydrophobicContact CE1-CD2 3.79Å; F521-L594 HydrophobicContact CE2-CD2 3.98Å; F521-L594 HydrophobicContact CG-CD1 3.81Å; F521-L594 HydrophobicContact CG-CD2 4.1Å; F521-L594 HydrophobicContact CZ-CD2 3.8Å; L543-L594 HydrophobicContact CD1-CB 3.87Å; L543-L594 HydrophobicContact CD1-CD2 4.39Å; V546-L594 HydrophobicContact CB-CD2 4.49Å; V546-L594 HydrophobicContact CG1-CD2 4.04Å; V546-L594 HydrophobicContact CG2-CD2 3.88Å; A591-L594 HydrophobicContact CB-CD2 4.25Å; L594-Y596 HydrophobicContact CB-CD2 4.03Å; L594-Y596 HydrophobicContact CB-CE2 3.64Å; L594-Y596 HydrophobicContact CD1-CE2 4.02Å; L594-Y596 HydrophobicContact CG-CE2 4.46Å
595	F	98.9	Very high	82.2	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115	178.5	-67.4	-103.4	0	0	0	109.7	I281 C284 L285 L362 V499 L543 Y544 A545 L593	I281-F595 HydrophobicContact CD1-CZ 4.18Å; C284-F595 HydrophobicContact CB-CD1 4.34Å; C284-F595 HydrophobicContact CB-CD2 3.78Å; C284-F595 HydrophobicContact CB-CE1 4.08Å; C284-F595 HydrophobicContact CB-CE2 3.49Å; C284-F595 VanDerWaalsContact CB-CE2 3.49Å; C284-F595 HydrophobicContact CB-CG 4.21Å; C284-F595 HydrophobicContact CB-CZ 3.65Å; L285-F595 HydrophobicContact CD2-CE1 4.35Å; L362-F595 HydrophobicContact CD1-CE1 4.31Å; L362-F595 HydrophobicContact CD1-CZ 4.34Å; L362-F595 HydrophobicContact CD2-CE1 4.08Å; L362-F595 HydrophobicContact CD2-CZ 3.83Å; V499-F595 HydrophobicContact CG1-CE1 4.45Å; V499-F595 HydrophobicContact CG2-CD1 3.83Å; V499-F595 HydrophobicContact CG2-CE1 3.85Å; L543-F595 WeakPolarHBondContact CD1-O 3.43Å; Y544-F595 HydrophobicContact CD1-CB 4.41Å; Y544-F595 VanDerWaalsContact CD1-O 3.27Å; Y544-F595 WeakPolarHBondContact CD1-O 3.37Å; Y544-F595 HydrophobicContact CE1-CB 3.79Å; Y544-F595 HydrophobicContact CE2-CB 4.15Å; Y544-F595 PolarHBondContact N-O 3.36Å; A545-F595 HydrophobicContact CB-CB 4Å; A545-F595 HydrophobicContact CB-CD2 4.26Å; A545-F595 HydrophobicContact CB-CG 4.33Å; A545-F595 PolarHBondContact N-O 3.08Å; A545-F595 WeakPolarHBondContact O-CB 3.47Å; A545-F595 PolarHBondContact O-N 3.42Å; L593-F595 HydrophobicContact CB-CE2 3.95Å
596	Y	98.7	Very high	81.5	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.2	-175.3	-83.1	-80.2	0	0	0	110.8	L455 I497 L498 L500 P522 L526 N542 L543 L594	L455-Y596 HydrophobicContact CD2-CE2 3.9Å; L455-Y596 WeakPolarHBondContact CD2-OH 3.36Å; I497-Y596 CarbonylContact C-O 3.5Å; I497-Y596 WeakPolarHBondContact CA-O 3.32Å; L498-Y596 PolarHBondContact N-O 3.16Å; L498-Y596 WeakPolarHBondContact O-CB 3.39Å; L498-Y596 PolarHBondContact O-N 2.87Å; L500-Y596 HydrophobicContact CD1-CD2 3.95Å; L500-Y596 HydrophobicContact CD1-CE2 3.95Å; L500-Y596 HydrophobicContact CG-CD2 4.36Å; P522-Y596 WeakPolarHBondContact O-CE1 3.11Å; P522-Y596 PolarHBondContact O-OH 2.86Å; L526-Y596 HydrophobicContact CB-CD1 4.46Å; L526-Y596 HydrophobicContact CB-CE1 4.06Å; L526-Y596 HydrophobicContact CD2-CD1 3.87Å; L526-Y596 HydrophobicContact CD2-CD2 4.15Å; L526-Y596 HydrophobicContact CD2-CE1 3.56Å; L526-Y596 HydrophobicContact CD2-CE2 3.84Å; L526-Y596 HydrophobicContact CD2-CG 4.17Å; L526-Y596 HydrophobicContact CG-CE1 4.45Å; N542-Y596 CarbonylContact O-C 3.54Å; N542-Y596 VanDerWaalsContact O-CA 3.31Å; N542-Y596 WeakPolarHBondContact O-CA 3.38Å; L543-Y596 HydrophobicContact CB-CD1 4.07Å; L543-Y596 HydrophobicContact CB-CE1 3.66Å; L543-Y596 HydrophobicContact CD1-CD1 4.18Å; L543-Y596 HydrophobicContact CD1-CD2 3.89Å; L543-Y596 HydrophobicContact CD1-CE1 3.87Å; L543-Y596 HydrophobicContact CD1-CE2 3.57Å; L543-Y596 HydrophobicContact CD1-CG 4.19Å; L543-Y596 HydrophobicContact CG-CE1 4.37Å; L594-Y596 HydrophobicContact CB-CD2 4.03Å; L594-Y596 HydrophobicContact CB-CE2 3.64Å; L594-Y596 HydrophobicContact CD1-CE2 4.02Å; L594-Y596 HydrophobicContact CG-CE2 4.46Å
597	E	97.4	Very high	80.7	Confident	55 Å²	55	69.9 Å²	69.9	26%	0.257	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	136.8	171.1	61.2	176.3	-174.6	0	0	110.1	I497 Y541 N542 Y544 A599	I497-E597 HydrophobicContact CD1-CB 4.04Å; Y541-E597 CarbonylContact C-O 3.56Å; Y541-E597 WeakPolarHBondContact CA-O 3.19Å; Y541-E597 VanDerWaalsContact CD1-C 3.45Å; Y541-E597 WeakPolarHBondContact CD1-O 3.16Å; N542-E597 HydrophobicContact CB-CG 4.34Å; N542-E597 PolarHBondContact N-O 2.83Å; N542-E597 PolarHBondContact O-N 3.23Å; Y544-E597 HydrophobicContact CD1-CB 3.74Å; Y544-E597 HydrophobicContact CD1-CG 3.92Å; Y544-E597 HydrophobicContact CE1-CB 4.03Å; E597-A599 PolarHBondContact O-N 3.38Å
598	L	95.8	Very high	79.7	Confident	76 Å²	76	68.7 Å²	68.7	40%	0.398	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	124.7	176.5	-175.3	71.5	0	0	0	108.9	K496 A539 Y541 S600	K496-L598 WeakPolarHBondContact O-CB 3.23Å; K496-L598 PolarHBondContact O-N 3.22Å; A539-L598 HydrophobicContact CB-CD1 3.81Å; Y541-L598 HydrophobicContact CD1-CB 4.25Å; Y541-L598 HydrophobicContact CD1-CD1 4.47Å; Y541-L598 HydrophobicContact CD2-CD1 4.49Å; Y541-L598 HydrophobicContact CE1-CB 3.95Å; Y541-L598 HydrophobicContact CE1-CD1 4.07Å; Y541-L598 HydrophobicContact CE2-CD1 4.13Å; L598-S600 PolarHBondContact O-N 3.26Å
599	A	91.1	Very high	78.7	Confident	22 Å²	22	71.1 Å²	71.1	18%	0.182	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-61	127.6	177	0	0	0	0	0	109.5	V540 N542 E597	V540-A599 HydrophobicContact CB-CB 4.39Å; V540-A599 HydrophobicContact CG1-CB 4.35Å; V540-A599 VanDerWaalsContact O-CB 3.23Å; V540-A599 WeakPolarHBondContact O-CB 3.48Å; V540-A599 PolarHBondContact O-N 3.19Å; N542-A599 WeakPolarHBondContact ND2-CB 3Å; E597-A599 PolarHBondContact O-N 3.38Å
600	S	76.4	Confident	77.6	Confident	109 Å²	109	72.6 Å²	72.6	76%	0.762	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-53.9	134.1	165.8	-62.6	0	0	0	0	108.7	L598	L598-S600 PolarHBondContact O-N 3.26Å
601	P	56.1	Low	76.3	Confident	110 Å²	110	74.5 Å²	74.5	71%	0.714	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-56.3	139.5	172.9	25.8	-34	0	0	0	108.5	S603	P601-S603 PolarHBondContact O-N 3.39Å; P601-S603 VanDerWaalsContact O-N 3.14Å
602	P	40.7	Very low	74.7	Confident	121 Å²	121	79.8 Å²	79.8	79%	0.786	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-57.4	125.4	-179.9	23.8	-33.2	0	0	0	108.8	R604	P602-R604 PolarHBondContact O-N 3.36Å; P602-R604 VanDerWaalsContact O-N 3.09Å
603	S	33	Very low	72.9	Confident	111 Å²	111	85.7 Å²	85.7	78%	0.776	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-50.3	120.1	170.6	-53.8	0	0	0	0	107.9	P601 M605	P601-S603 PolarHBondContact O-N 3.39Å; P601-S603 VanDerWaalsContact O-N 3.14Å; S603-M605 PolarHBondContact O-N 3.36Å
604	R	32.7	Very low	70.7	Confident	253 Å²	253	92.8 Å²	92.8	96%	0.955	51%	0.508	S	S	*	.			trans	-62.8	108.4	171.2	-72.3	-175.4	175.9	-173.9	-1.9	107.4	P602	P602-R604 PolarHBondContact O-N 3.36Å; P602-R604 VanDerWaalsContact O-N 3.09Å
605	M	28.8	Very low	68.1	Low	257 Å²	257	101.3 Å²	101.3	100%	1.266	55%	0.554	S	S	*	*			trans	-71.6	0	163.3	-69.2	-178.3	166.5	0	0	109.6	S603	S603-M605 PolarHBondContact O-N 3.36Å

Retrieved 605 of 605 residues in 1006 ms (Link to these results)

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