A0A5K4F0L6_SCHMA Loading...

WD_REPEATS_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F0L6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 655 aa.

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(Predicted Aligned Error values between residue pairs)

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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	33	Very low	35.4	Very low	239 Å²	239	172 Å²	172	100%	1.177	81%	0.806	S	S	*	*				0	120.1	0	-168.8	-174.3	-94.6	0	0	107.2
2	K	32	Very low	36.1	Very low	173 Å²	173	173.7 Å²	173.7	75%	0.752	81%	0.809	S	S	*	*			trans	57.8	110.7	169.7	-71.2	-171.6	175.5	-174.6	0	121.1
3	L	36.4	Very low	36.5	Very low	168 Å²	168	171.8 Å²	171.8	88%	0.88	80%	0.8	S	S	*	*				-174.1	90.2	125.6	-100	141.9	0	0	0	104.7
4	E	35.7	Very low	37.2	Very low	148 Å²	148	172.6 Å²	172.6	69%	0.692	80%	0.804	S	S	*	*				51.6	98.1	71.5	-138	177.5	-168.1	0	0	113.6
5	L	39.1	Very low	37.9	Very low	140 Å²	140	176.1 Å²	176.1	73%	0.733	81%	0.807	S	S	*	*				179	115.2	118.8	-109.2	93.5	0	0	0	108.8
6	K	36.4	Very low	38.5	Very low	161 Å²	161	173.5 Å²	173.5	70%	0.7	79%	0.793	S	S	*	*				61.8	128.7	106.5	-75.2	-177.9	-178.3	167.4	0	113.4
7	R	33	Very low	39.3	Very low	209 Å²	209	167.9 Å²	167.9	79%	0.789	78%	0.779	S	S	*	*			cis	-169.7	137.4	23.3	-106.5	160.6	170.5	-178.9	-4.9	106.5
8	R	32.7	Very low	40	Very low	227 Å²	227	167 Å²	167	86%	0.857	78%	0.775	S	S	*	*				35.4	123.5	111.4	-77.3	-174.6	168.6	179.5	-3.1	113.3
9	T	31.4	Very low	40.7	Very low	131 Å²	131	165.3 Å²	165.3	80%	0.804	77%	0.767	S	S	*	*			cis	172.8	133.3	37.8	16.4	0	0	0	0	106.6
10	S	37.1	Very low	41.2	Very low	75 Å²	75	161.2 Å²	161.2	52%	0.524	75%	0.751	S	S	.	*			trans	-150.3	80.8	158.9	-176.6	0	0	0	0	110.7	K12 Q13	S10-K12 VanDerWaalsContact C-N 3.35Å; S10-Q13 VanDerWaalsContact OG-CD 3.3Å; S10-Q13 PolarHBondContact OG-OE1 2.96Å
11	K	43.2	Very low	41.7	Very low	221 Å²	221	156.2 Å²	156.2	96%	0.961	74%	0.738	S	S	*	*	S	Bend	trans	-100	23.5	163.8	-98.9	-172.2	175.6	-175.7	0	111.2
12	K	42.8	Very low	42.5	Very low	192 Å²	192	151.9 Å²	151.9	84%	0.835	71%	0.714	S	S	*	*	S	Bend	trans	-119.9	1	-176.1	-115.6	-178	177.7	-175.1	0	114.2	S10	S10-K12 VanDerWaalsContact C-N 3.35Å
13	Q	42	Very low	43.5	Very low	150 Å²	150	150 Å²	150	70%	0.701	71%	0.708	S	S	*	*	S	Bend	trans	-94	-7.5	-175.9	-92.9	168.7	-30.6	0	0	115.4	S10	S10-Q13 VanDerWaalsContact OG-CD 3.3Å; S10-Q13 PolarHBondContact OG-OE1 2.96Å
14	Q	46.1	Very low	44	Very low	183 Å²	183	149 Å²	149	86%	0.855	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-2.2	-178.5	-99	178.9	-16.8	0	0	115.5
15	R	47.8	Very low	44.6	Very low	225 Å²	225	148.3 Å²	148.3	85%	0.849	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	-2	174	-87.2	-175.7	160.1	-175.3	-6.4	114.1
16	K	47.4	Very low	45	Very low	134 Å²	134	145 Å²	145	58%	0.583	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-27.9	179.4	-139.7	176.9	178.7	-168.1	0	112.6	Q18 Q19 D20	K16-Q18 VanDerWaalsContact C-N 3.28Å; K16-Q18 PolarHBondContact O-N 3.11Å; K16-Q19 PolarHBondContact O-N 3.31Å; K16-D20 WeakPolarHBondContact O-CB 3.21Å; K16-D20 PolarHBondContact O-N 3.33Å; K16-D20 VanDerWaalsContact O-N 3.08Å; K16-D20 VanDerWaalsContact O-OD2 3.12Å
17	S	51.9	Low	45.6	Very low	78 Å²	78	141.3 Å²	141.3	55%	0.545	68%	0.677	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.1	-3.3	-179.6	60.8	0	0	0	0	116.1
18	Q	52.9	Low	46.2	Very low	152 Å²	152	137.6 Å²	137.6	71%	0.71	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	-27.5	172.7	-88.7	177.6	-15.9	0	0	112.6	K16	K16-Q18 VanDerWaalsContact C-N 3.28Å; K16-Q18 PolarHBondContact O-N 3.11Å
19	Q	51.5	Low	46.6	Very low	135 Å²	135	136.7 Å²	136.7	63%	0.631	67%	0.669	S	S	*	*	H	α-helix	trans	-77.3	-37.6	170.6	-89.3	179.4	-43.2	0	0	111.5	K16 A21 E22 E23	K16-Q19 PolarHBondContact O-N 3.31Å; Q19-A21 PolarHBondContact O-N 2.68Å; Q19-E22 PolarHBondContact O-N 3.4Å; Q19-E23 WeakPolarHBondContact O-CB 3.34Å; Q19-E23 PolarHBondContact O-N 2.97Å
20	D	52	Low	47.1	Very low	83 Å²	83	138.9 Å²	138.9	44%	0.444	67%	0.67	S	S	.	*	H	α-helix	trans	-68.8	-14.2	177.4	-61.1	-21.1	0	0	0	112.8	K16 F24	K16-D20 WeakPolarHBondContact O-CB 3.21Å; K16-D20 PolarHBondContact O-N 3.33Å; K16-D20 VanDerWaalsContact O-N 3.08Å; K16-D20 VanDerWaalsContact O-OD2 3.12Å; D20-F24 WeakPolarHBondContact O-CB 3.31Å
21	A	51.8	Low	47.3	Very low	57 Å²	57	142.9 Å²	142.9	47%	0.471	68%	0.68	S	S	.	*	H	α-helix	trans	-89.2	-31	175.9	0	0	0	0	0	113.1	Q19	Q19-A21 PolarHBondContact O-N 2.68Å
22	E	50.1	Low	47.1	Very low	147 Å²	147	138.2 Å²	138.2	69%	0.687	67%	0.67	S	S	*	*	H	α-helix	trans	-84.3	-27.3	174.8	-73.2	179.4	163.6	0	0	112.1	Q19 S26	Q19-E22 PolarHBondContact O-N 3.4Å; E22-S26 PolarHBondContact O-N 3.04Å
23	E	51.8	Low	46.8	Very low	134 Å²	134	136.1 Å²	136.1	63%	0.626	67%	0.669	S	S	*	*	H	α-helix	trans	-73.6	-33.9	175.1	-133.6	167.4	-164.7	0	0	111.7	Q19 S26 S27	Q19-E23 WeakPolarHBondContact O-CB 3.34Å; Q19-E23 PolarHBondContact O-N 2.97Å; E23-S26 PolarHBondContact O-N 2.67Å; E23-S26 PolarHBondContact O-OG 3.06Å; E23-S27 PolarHBondContact O-N 2.87Å; E23-S27 VanDerWaalsContact O-N 3.16Å; E23-S27 PolarHBondContact O-OG 3.39Å
24	F	47.4	Very low	46.8	Very low	146 Å²	146	136.6 Å²	136.6	64%	0.64	68%	0.676	S	S	*	*	H	α-helix	trans	-73.9	-29.1	177.4	-156.3	-98.2	0	0	0	113.4	D20 S27 L28	D20-F24 WeakPolarHBondContact O-CB 3.31Å; F24-S27 PolarHBondContact O-OG 3.42Å; F24-L28 HydrophobicContact CD1-CD1 4.39Å; F24-L28 HydrophobicContact CE1-CD1 4.35Å
25	E	47.8	Very low	46.5	Very low	134 Å²	134	139.5 Å²	139.5	63%	0.626	68%	0.681	S	S	*	*	H	α-helix	trans	-77.5	-21.4	172.2	-111	-174.3	163.7	0	0	112.9
26	S	48.7	Very low	46.2	Very low	71 Å²	71	131.4 Å²	131.4	50%	0.497	67%	0.667	S	S	.	*	H	α-helix	trans	-85.2	-29.3	176.8	74.8	0	0	0	0	113.7	E22 E23 L28 R29	E22-S26 PolarHBondContact O-N 3.04Å; E23-S26 PolarHBondContact O-N 2.67Å; E23-S26 PolarHBondContact O-OG 3.06Å; S26-L28 VanDerWaalsContact C-N 3.27Å; S26-L28 PolarHBondContact O-N 3.13Å; S26-R29 PolarHBondContact O-N 3.29Å
27	S	47.8	Very low	46.1	Very low	83 Å²	83	132.2 Å²	132.2	58%	0.58	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-8	175.9	56.8	0	0	0	0	114.7	E23 F24	E23-S27 PolarHBondContact O-N 2.87Å; E23-S27 VanDerWaalsContact O-N 3.16Å; E23-S27 PolarHBondContact O-OG 3.39Å; F24-S27 PolarHBondContact O-OG 3.42Å
28	L	45.4	Very low	46	Very low	132 Å²	132	137.9 Å²	137.9	69%	0.691	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	3.8	177.1	-88.2	155.7	0	0	0	113.1	F24 S26	F24-L28 HydrophobicContact CD1-CD1 4.39Å; F24-L28 HydrophobicContact CE1-CD1 4.35Å; S26-L28 VanDerWaalsContact C-N 3.27Å; S26-L28 PolarHBondContact O-N 3.13Å
29	R	42.1	Very low	46.1	Very low	208 Å²	208	134.8 Å²	134.8	79%	0.785	69%	0.692	S	S	*	*	S	Bend	trans	-113.3	6	-174.8	-74	-174	177.8	-175	3	115.7	S26	S26-R29 PolarHBondContact O-N 3.29Å
30	E	41.9	Very low	46.5	Very low	177 Å²	177	133.2 Å²	133.2	83%	0.827	70%	0.702	S	S	*	*	S	Bend	trans	-126.9	89.8	172.1	-73.7	-175.2	164.9	0	0	109.4
31	E	40.8	Very low	47	Very low	158 Å²	158	136.9 Å²	136.9	74%	0.738	72%	0.721	S	S	*	*			trans	179.2	71	150.8	-101.2	178.1	-171.7	0	0	108.7	R38	E31-R38 IonicContact OE2-CZ 3.75Å; E31-R38 IonicContact OE2-NH2 3.58Å; E31-R38 PolarHBondContact OE2-NH2 3.08Å
32	T	39.3	Very low	47.7	Very low	123 Å²	123	142.2 Å²	142.2	76%	0.755	73%	0.734	S	S	*	*			trans	-69.6	131.2	157.8	35.9	0	0	0	0	109.6
33	D	35.5	Very low	48.9	Very low	149 Å²	149	138.7 Å²	138.7	80%	0.797	72%	0.724	S	S	*	*			trans	63.8	90.6	149.2	-49.5	-22.6	0	0	0	118.2
34	D	42.9	Very low	50	Low	160 Å²	160	142.3 Å²	142.3	86%	0.856	74%	0.741	S	S	*	*				-163.1	127.2	125.2	-141.1	-9.1	0	0	0	112.8	G36	D34-G36 PolarHBondContact O-N 3.31Å; D34-G36 VanDerWaalsContact O-N 3.09Å
35	Y	39.9	Very low	51.3	Low	244 Å²	244	142.2 Å²	142.2	96%	0.957	75%	0.747	S	S	*	*			trans	-75.4	91.2	173.4	-89.7	-100.5	0	0	0	109.1
36	G	42.2	Very low	52.7	Low	54 Å²	54	141 Å²	141	56%	0.557	74%	0.741	S	S	*	*			trans	-153	101.5	178.2	0	0	0	0	0	113.2	D34 R38	D34-G36 PolarHBondContact O-N 3.31Å; D34-G36 VanDerWaalsContact O-N 3.09Å; G36-R38 PolarHBondContact O-N 3.43Å; G36-R38 VanDerWaalsContact O-N 3.1Å
37	V	44.4	Very low	54.1	Low	152 Å²	152	144.2 Å²	144.2	92%	0.921	75%	0.752	S	S	*	*			trans	20	76.4	161	-166.8	0	0	0	0	115.1	A39	V37-A39 PolarHBondContact O-N 2.96Å
38	R	49	Very low	55.5	Low	197 Å²	197	149.5 Å²	149.5	74%	0.743	77%	0.768	S	S	*	*			trans	-70.7	117.9	170.2	-81.9	-175.5	176.3	-173.9	-5.1	109.6	E31 G36	E31-R38 IonicContact OE2-CZ 3.75Å; E31-R38 IonicContact OE2-NH2 3.58Å; E31-R38 PolarHBondContact OE2-NH2 3.08Å; G36-R38 PolarHBondContact O-N 3.43Å; G36-R38 VanDerWaalsContact O-N 3.1Å
39	A	55.5	Low	57.1	Low	86 Å²	86	147.2 Å²	147.2	71%	0.711	76%	0.756	S	S	*	*			trans	-48.7	140.6	173.7	0	0	0	0	0	111.1	V37 L41	V37-A39 PolarHBondContact O-N 2.96Å; A39-L41 PolarHBondContact O-N 3.27Å
40	A	59.7	Low	59	Low	102 Å²	102	139.8 Å²	139.8	84%	0.843	74%	0.736	S	S	*	*			trans	-56.1	102.6	177.8	0	0	0	0	0	110.3	K42	A40-K42 PolarHBondContact O-N 2.89Å
41	L	62.3	Low	60.8	Low	161 Å²	161	138.9 Å²	138.9	84%	0.843	73%	0.732	S	S	*	*			trans	-64.3	113.5	170.3	-80.7	155.7	0	0	0	107.6	A39 P43	A39-L41 PolarHBondContact O-N 3.27Å; L41-P43 WeakPolarHBondContact O-CD 3.4Å
42	K	67.5	Low	62.7	Low	169 Å²	169	139.5 Å²	139.5	74%	0.735	73%	0.734	S	S	*	*			trans	-68.3	124.3	168.7	-79	-171.2	172.3	179.1	0	108.4	A40	A40-K42 PolarHBondContact O-N 2.89Å
43	P	75.7	Confident	64.8	Low	73 Å²	73	138.4 Å²	138.4	47%	0.474	72%	0.72	S	S	.	*			trans	-56.8	144.7	172.5	-22.8	33.3	0	0	0	111.5	L41 D45 Q46	L41-P43 WeakPolarHBondContact O-CD 3.4Å; P43-D45 WeakPolarHBondContact CB-OD1 3.25Å; P43-D45 PolarHBondContact O-N 3.11Å; P43-D45 VanDerWaalsContact O-N 3.16Å; P43-Q46 WeakPolarHBondContact O-CB 3.48Å; P43-Q46 PolarHBondContact O-N 3.18Å; P43-Q46 VanDerWaalsContact O-N 3.11Å
44	E	74.2	Confident	66.7	Low	209 Å²	209	137.2 Å²	137.2	98%	0.977	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-21.8	-179	-64.8	-168.4	159.4	0	0	113.1
45	D	74.5	Confident	68.5	Low	144 Å²	144	137.6 Å²	137.6	77%	0.77	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	8.6	-179.3	56.3	-32.5	0	0	0	113.6	P43 L47	P43-D45 WeakPolarHBondContact CB-OD1 3.25Å; P43-D45 PolarHBondContact O-N 3.11Å; P43-D45 VanDerWaalsContact O-N 3.16Å; D45-L47 PolarHBondContact O-N 3.49Å
46	Q	77.5	Confident	70.5	Confident	108 Å²	108	132.7 Å²	132.7	51%	0.505	69%	0.693	S	S	.	*			trans	-71.1	115.6	178.4	-172.1	163.1	14.3	0	0	111.9	P43 Q48	P43-Q46 WeakPolarHBondContact O-CB 3.48Å; P43-Q46 PolarHBondContact O-N 3.18Å; P43-Q46 VanDerWaalsContact O-N 3.11Å; Q46-Q48 PolarHBondContact O-N 3.37Å
47	L	78.5	Confident	72.2	Confident	140 Å²	140	139.5 Å²	139.5	73%	0.733	71%	0.711	S	S	*	*			trans	-52.8	124	175.1	-158.1	89	0	0	0	110.6	D45 L49	D45-L47 PolarHBondContact O-N 3.49Å; L47-L49 HydrophobicContact CD2-CD2 3.96Å; L47-L49 HydrophobicContact CD2-CG 4.48Å; L47-L49 PolarHBondContact O-N 3.16Å; L47-L49 VanDerWaalsContact O-N 3.13Å
48	Q	76.9	Confident	73.7	Confident	193 Å²	193	137.9 Å²	137.9	90%	0.902	70%	0.696	S	S	*	*			trans	-78.2	98.3	176.6	-65.2	-164.2	6.3	0	0	109.9	Q46	Q46-Q48 PolarHBondContact O-N 3.37Å
49	L	79.5	Confident	75.1	Confident	84 Å²	84	135.6 Å²	135.6	44%	0.44	70%	0.704	S	S	.	*			trans	-81.2	145.3	175.4	-66.8	162.9	0	0	0	110.6	L47 E53 L54	L47-L49 HydrophobicContact CD2-CD2 3.96Å; L47-L49 HydrophobicContact CD2-CG 4.48Å; L47-L49 PolarHBondContact O-N 3.16Å; L47-L49 VanDerWaalsContact O-N 3.13Å; L49-E53 WeakPolarHBondContact CA-OE2 3.38Å; L49-E53 HydrophobicContact CB-CB 4.03Å; L49-E53 HydrophobicContact CD2-CB 3.87Å; L49-E53 HydrophobicContact CD2-CG 4.33Å; L49-E53 HydrophobicContact CG-CB 4.46Å; L49-L54 HydrophobicContact CB-CG 4.32Å
50	S	81.1	Confident	75.7	Confident	52 Å²	52	141.6 Å²	141.6	36%	0.364	71%	0.708	S	S	.	*			trans	-66.5	158.2	170.4	64.3	0	0	0	0	111.7	Q52 E53 L54	S50-Q52 PolarHBondContact O-N 3.43Å; S50-E53 PolarHBondContact N-OE2 3.49Å; S50-E53 PolarHBondContact O-N 3.12Å; S50-E53 VanDerWaalsContact O-N 3.1Å; S50-E53 VanDerWaalsContact OG-CG 3.31Å; S50-E53 WeakPolarHBondContact OG-CG 3.37Å; S50-E53 PolarHBondContact OG-N 2.96Å; S50-E53 PolarHBondContact OG-OE2 2.96Å; S50-L54 PolarHBondContact O-N 3.21Å; S50-L54 VanDerWaalsContact O-N 3.11Å
51	E	80.1	Confident	76.7	Confident	159 Å²	159	143 Å²	143	74%	0.743	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-20.9	174.3	-76.4	-169.1	162.4	0	0	113.6
52	Q	81.2	Confident	77.2	Confident	171 Å²	171	143.7 Å²	143.7	80%	0.799	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-46.2	174.8	-72.9	-179.6	-12.1	0	0	111.6	S50 L54 K55	S50-Q52 PolarHBondContact O-N 3.43Å; Q52-L54 VanDerWaalsContact C-N 3.28Å; Q52-L54 PolarHBondContact O-N 3.3Å; Q52-K55 PolarHBondContact O-N 2.98Å
53	E	82.4	Confident	77.7	Confident	99 Å²	99	143.6 Å²	143.6	46%	0.463	71%	0.709	S	S	.	*	G	3₁₀ helix	trans	-66.7	-30	178.6	-69.3	163	149.2	0	0	112.3	L49 S50 K55 E56	L49-E53 WeakPolarHBondContact CA-OE2 3.38Å; L49-E53 HydrophobicContact CB-CB 4.03Å; L49-E53 HydrophobicContact CD2-CB 3.87Å; L49-E53 HydrophobicContact CD2-CG 4.33Å; L49-E53 HydrophobicContact CG-CB 4.46Å; S50-E53 PolarHBondContact N-OE2 3.49Å; S50-E53 PolarHBondContact O-N 3.12Å; S50-E53 VanDerWaalsContact O-N 3.1Å; S50-E53 VanDerWaalsContact OG-CG 3.31Å; S50-E53 WeakPolarHBondContact OG-CG 3.37Å; S50-E53 PolarHBondContact OG-N 2.96Å; S50-E53 PolarHBondContact OG-OE2 2.96Å; E53-K55 PolarHBondContact O-N 3.15Å; E53-E56 PolarHBondContact O-N 3.29Å
54	L	76.6	Confident	77.9	Confident	125 Å²	125	145.9 Å²	145.9	65%	0.654	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-67.6	-16.5	175.1	-87.2	155.1	0	0	0	114.4	L49 S50 Q52	L49-L54 HydrophobicContact CB-CG 4.32Å; S50-L54 PolarHBondContact O-N 3.21Å; S50-L54 VanDerWaalsContact O-N 3.11Å; Q52-L54 VanDerWaalsContact C-N 3.28Å; Q52-L54 PolarHBondContact O-N 3.3Å
55	K	79.7	Confident	78.2	Confident	168 Å²	168	140.3 Å²	140.3	73%	0.73	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-100.1	0.5	-178.5	-72.7	177.6	-177.5	170.8	0	113.6	Q52 E53 E57	Q52-K55 PolarHBondContact O-N 2.98Å; E53-K55 PolarHBondContact O-N 3.15Å; K55-E57 PolarHBondContact O-N 2.95Å
56	E	82.6	Confident	78.5	Confident	140 Å²	140	135 Å²	135	65%	0.654	68%	0.679	S	S	*	*			trans	-77.6	119.1	-179.6	-163.1	174.8	-177.6	0	0	111.1	E53 I58	E53-E56 PolarHBondContact O-N 3.29Å; E56-I58 PolarHBondContact O-N 3.12Å
57	E	76.9	Confident	78.7	Confident	197 Å²	197	135.5 Å²	135.5	92%	0.921	69%	0.691	S	S	*	*			trans	-81.1	111.5	175.1	-73.1	-174.3	166.5	0	0	110.9	K55	K55-E57 PolarHBondContact O-N 2.95Å
58	I	77.5	Confident	79	Confident	118 Å²	118	137 Å²	137	61%	0.605	69%	0.694	S	S	*	*			trans	-105.1	114	177.8	-55.8	172	0	0	0	110.1	E56 R60	E56-I58 PolarHBondContact O-N 3.12Å; I58-R60 HydrophobicContact CG2-CG 4.14Å
59	T	77.9	Confident	79.3	Confident	149 Å²	149	128.8 Å²	128.8	91%	0.914	66%	0.66	S	S	*	*			trans	-78.9	117.5	171.5	31.7	0	0	0	0	111.1
60	R	67.8	Low	79.6	Confident	213 Å²	213	128.2 Å²	128.2	80%	0.804	66%	0.661	S	S	*	*			trans	-113.2	136.6	176.5	-68	-172.1	178.1	-173.2	0.4	111.6	I58	I58-R60 HydrophobicContact CG2-CG 4.14Å
61	V	80	Confident	79.6	Confident	132 Å²	132	134.5 Å²	134.5	80%	0.8	69%	0.685	S	S	*	*			trans	-97.7	123.7	171.3	-179.3	0	0	0	0	109.4
62	L	73.8	Confident	79.9	Confident	174 Å²	174	131.7 Å²	131.7	91%	0.911	67%	0.674	S	S	*	*			trans	-76.1	126.6	178.2	-64.6	169.3	0	0	0	110.7
63	K	77.9	Confident	80.3	Confident	167 Å²	167	126 Å²	126	73%	0.726	65%	0.649	S	S	*	*			trans	-116.2	148.8	170.8	-65.6	-177.2	-178.6	179.1	0	109.3	T65	K63-T65 HydrophobicContact CB-CG2 4.48Å; K63-T65 PolarHBondContact O-N 2.71Å
64	S	80.4	Confident	80.7	Confident	122 Å²	122	125.1 Å²	125.1	85%	0.853	65%	0.65	S	S	*	*			trans	-77.2	8.7	177.2	55.8	0	0	0	0	114.5
65	T	79.4	Confident	81.4	Confident	91 Å²	91	127.1 Å²	127.1	56%	0.558	65%	0.649	S	S	*	*			trans	-75.4	126.8	-179.1	49.6	0	0	0	0	110.7	K63 P67	K63-T65 HydrophobicContact CB-CG2 4.48Å; K63-T65 PolarHBondContact O-N 2.71Å; T65-P67 WeakPolarHBondContact O-CD 3.49Å
66	N	81.4	Confident	82	Confident	34 Å²	34	123.9 Å²	123.9	18%	0.182	63%	0.633	C	S	.	*			trans	-72.6	118.3	177.2	178.1	-3.8	0	0	0	110	H68 A69 Q91	N66-H68 PolarHBondContact O-N 3.15Å; N66-H68 PolarHBondContact OD1-N 2.8Å; N66-A69 HydrophobicContact CB-CB 4Å; N66-A69 PolarHBondContact O-N 2.81Å; N66-A69 VanDerWaalsContact O-N 3.17Å; N66-Q91 HydrophobicContact CB-CB 4.32Å; N66-Q91 VanDerWaalsContact CB-O 3.29Å; N66-Q91 WeakPolarHBondContact CB-O 3.21Å; N66-Q91 PolarHBondContact ND2-O 3.45Å
67	P	82.2	Confident	82.4	Confident	117 Å²	117	119.4 Å²	119.4	76%	0.76	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-16.2	-178.5	27.9	-35	0	0	0	113.5	T65	T65-P67 WeakPolarHBondContact O-CD 3.49Å
68	H	82.9	Confident	83	Confident	172 Å²	172	118.7 Å²	118.7	80%	0.796	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-3.5	178.7	-59.6	-68.4	0	0	0	113.4	N66	N66-H68 PolarHBondContact O-N 3.15Å; N66-H68 PolarHBondContact OD1-N 2.8Å
69	A	83.3	Confident	83.7	Confident	21 Å²	21	122 Å²	122	17%	0.174	62%	0.618	C	S	.	*	S	Bend	trans	-73.1	136.9	175.4	0	0	0	0	0	110.5	N66 V89	N66-A69 HydrophobicContact CB-CB 4Å; N66-A69 PolarHBondContact O-N 2.81Å; N66-A69 VanDerWaalsContact O-N 3.17Å; A69-V89 HydrophobicContact CB-CG1 4.22Å
70	P	85.8	Confident	84.2	Confident	72 Å²	72	119 Å²	119	47%	0.468	60%	0.596	S	S	.	*			trans	-62.9	144.9	174.9	26.6	-33.3	0	0	0	110.4	N72 I73 V89	P70-N72 VanDerWaalsContact C-N 3.3Å; P70-N72 PolarHBondContact O-N 3.42Å; P70-I73 HydrophobicContact CG-CD1 4.2Å; P70-I73 HydrophobicContact CG-CG1 3.9Å; P70-V89 HydrophobicContact CG-CG1 4.04Å
71	Q	82.7	Confident	85.3	Confident	184 Å²	184	111.1 Å²	111.1	86%	0.86	58%	0.581	S	S	*	*	S	Bend	trans	-62.1	-38.8	-179.5	-69.7	-178.6	-2.9	0	0	112.2
72	N	85.9	Confident	85.9	Confident	99 Å²	99	109.9 Å²	109.9	53%	0.529	57%	0.566	S	S	.	*			trans	-146.7	144.6	179.4	-70.4	-41.6	0	0	0	109.9	P70 Q85	P70-N72 VanDerWaalsContact C-N 3.3Å; P70-N72 PolarHBondContact O-N 3.42Å; N72-Q85 PolarHBondContact OD1-NE2 3.16Å
73	I	88.8	Confident	86.8	Confident	51 Å²	51	109.9 Å²	109.9	26%	0.262	56%	0.555	S	S	.	*			trans	-110.9	125.8	170.4	-62.5	172.2	0	0	0	107.8	P70 R75 V86 V89	P70-I73 HydrophobicContact CG-CD1 4.2Å; P70-I73 HydrophobicContact CG-CG1 3.9Å; I73-R75 HydrophobicContact CG2-CG 4.24Å; I73-V86 HydrophobicContact CB-CB 4.26Å; I73-V86 HydrophobicContact CB-CG2 4.27Å; I73-V86 HydrophobicContact CG2-CB 4.46Å; I73-V86 HydrophobicContact CG2-CG2 3.93Å; I73-V86 PolarHBondContact O-N 3.33Å; I73-V89 HydrophobicContact CD1-CG1 4.05Å; I73-V89 HydrophobicContact CD1-CG2 4.13Å; I73-V89 HydrophobicContact CG1-CG2 4.04Å
74	V	90.7	Very high	87.3	Confident	81 Å²	81	104.2 Å²	104.2	49%	0.491	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.4	177.2	-176.9	0	0	0	0	108.6	Y83 T84	V74-Y83 HydrophobicContact CG1-CD1 4.04Å; V74-Y83 HydrophobicContact CG1-CG 4.26Å; V74-T84 WeakPolarHBondContact CA-O 3.4Å
75	R	91	Very high	87.8	Confident	168 Å²	168	104 Å²	104	63%	0.634	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	142.9	179.2	-67	-175.2	176.7	176	-0.2	109.8	I73 N77 T84 V86	I73-R75 HydrophobicContact CG2-CG 4.24Å; R75-N77 PolarHBondContact O-N 3.23Å; R75-T84 PolarHBondContact N-O 3.34Å; R75-T84 PolarHBondContact O-N 3.48Å; R75-T84 PolarHBondContact O-OG1 3.38Å; R75-V86 HydrophobicContact CG-CG2 4.26Å
76	Y	92.4	Very high	88.2	Confident	99 Å²	99	101.8 Å²	101.8	39%	0.388	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	118.9	173.8	-170.4	-101.5	0	0	0	109.3	F78 G81 Y83	Y76-F78 AromaticContact CD1-CD1 3.89Å; Y76-F78 HydrophobicContact CD1-CD1 3.89Å; Y76-F78 HydrophobicContact CD1-CD2 4.33Å; Y76-F78 AromaticContact CD1-CE1 3.92Å; Y76-F78 HydrophobicContact CD1-CE1 3.92Å; Y76-F78 HydrophobicContact CD1-CE2 4.36Å; Y76-F78 HydrophobicContact CD1-CG 4.1Å; Y76-F78 HydrophobicContact CD1-CZ 4.16Å; Y76-F78 AromaticContact CE1-CD1 3.89Å; Y76-F78 HydrophobicContact CE1-CD1 3.89Å; Y76-F78 HydrophobicContact CE1-CE1 4.16Å; Y76-F78 HydrophobicContact CE1-CG 4.35Å; Y76-F78 PolarHBondContact O-N 3.38Å; Y76-G81 WeakPolarHBondContact CE2-O 3.46Å; Y76-G81 WeakPolarHBondContact OH-CA 3.27Å; Y76-G81 PolarHBondContact OH-O 3.07Å; Y76-G81 VanDerWaalsContact OH-O 3.1Å; Y76-Y83 HydrophobicContact CD2-CD1 4.09Å; Y76-Y83 HydrophobicContact CD2-CD2 4.11Å; Y76-Y83 AromaticContact CD2-CE1 3.93Å; Y76-Y83 HydrophobicContact CD2-CE1 3.93Å; Y76-Y83 AromaticContact CD2-CE2 3.95Å; Y76-Y83 HydrophobicContact CD2-CE2 3.95Å; Y76-Y83 HydrophobicContact CD2-CG 4.18Å; Y76-Y83 AromaticContact CD2-CZ 3.86Å; Y76-Y83 HydrophobicContact CE2-CE2 4.37Å; Y76-Y83 HydrophobicContact CG-CE1 4.43Å
77	N	90.8	Very high	88.3	Confident	47 Å²	47	106.1 Å²	106.1	25%	0.251	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	105	173.8	-173	-13.3	0	0	0	109.2	R75 K79 D80 G81 Q82 T84	R75-N77 PolarHBondContact O-N 3.23Å; N77-K79 PolarHBondContact O-N 3.4Å; N77-K79 VanDerWaalsContact OD1-CB 3.31Å; N77-K79 WeakPolarHBondContact OD1-CB 3.29Å; N77-K79 PolarHBondContact OD1-N 3.19Å; N77-D80 HydrophobicContact CB-CB 4.15Å; N77-D80 PolarHBondContact ND2-OD2 3.08Å; N77-D80 PolarHBondContact O-N 3.03Å; N77-D80 PolarHBondContact OD1-N 3.28Å; N77-G81 PolarHBondContact O-N 3.48Å; N77-Q82 PolarHBondContact N-O 3.17Å; N77-T84 HydrophobicContact CB-CG2 4.02Å
78	F	91.4	Very high	88.3	Confident	182 Å²	182	108.5 Å²	108.5	80%	0.798	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.2	178.1	-69.1	-83.5	0	0	0	113.8	Y76	Y76-F78 AromaticContact CD1-CD1 3.89Å; Y76-F78 HydrophobicContact CD1-CD1 3.89Å; Y76-F78 HydrophobicContact CD1-CD2 4.33Å; Y76-F78 AromaticContact CD1-CE1 3.92Å; Y76-F78 HydrophobicContact CD1-CE1 3.92Å; Y76-F78 HydrophobicContact CD1-CE2 4.36Å; Y76-F78 HydrophobicContact CD1-CG 4.1Å; Y76-F78 HydrophobicContact CD1-CZ 4.16Å; Y76-F78 AromaticContact CE1-CD1 3.89Å; Y76-F78 HydrophobicContact CE1-CD1 3.89Å; Y76-F78 HydrophobicContact CE1-CE1 4.16Å; Y76-F78 HydrophobicContact CE1-CG 4.35Å; Y76-F78 PolarHBondContact O-N 3.38Å
79	K	90.5	Very high	88.4	Confident	188 Å²	188	101.6 Å²	101.6	82%	0.817	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-40	176	-171.8	-178	177.3	-176.2	0	111.9	N77	N77-K79 PolarHBondContact O-N 3.4Å; N77-K79 VanDerWaalsContact OD1-CB 3.31Å; N77-K79 WeakPolarHBondContact OD1-CB 3.29Å; N77-K79 PolarHBondContact OD1-N 3.19Å
80	D	89.4	Confident	88.4	Confident	86 Å²	86	105.8 Å²	105.8	46%	0.46	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-6.4	-175.5	-59.2	-15.6	0	0	0	113	N77 Q82	N77-D80 HydrophobicContact CB-CB 4.15Å; N77-D80 PolarHBondContact ND2-OD2 3.08Å; N77-D80 PolarHBondContact O-N 3.03Å; N77-D80 PolarHBondContact OD1-N 3.28Å; D80-Q82 HydrophobicContact CB-CG 3.79Å; D80-Q82 PolarHBondContact O-N 2.66Å; D80-Q82 VanDerWaalsContact O-N 3.16Å
81	G	91.4	Very high	88.4	Confident	46 Å²	46	106.1 Å²	106.1	47%	0.474	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	12.4	179.5	0	0	0	0	0	114.9	Y76 N77	Y76-G81 WeakPolarHBondContact CE2-O 3.46Å; Y76-G81 WeakPolarHBondContact OH-CA 3.27Å; Y76-G81 PolarHBondContact OH-O 3.07Å; Y76-G81 VanDerWaalsContact OH-O 3.1Å; N77-G81 PolarHBondContact O-N 3.48Å
82	Q	91.9	Very high	88.5	Confident	106 Å²	106	103.2 Å²	103.2	50%	0.495	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	158.8	-171.7	65.7	-178.5	-9.1	0	0	112	N77 D80 T84	N77-Q82 PolarHBondContact N-O 3.17Å; D80-Q82 HydrophobicContact CB-CG 3.79Å; D80-Q82 PolarHBondContact O-N 2.66Å; D80-Q82 VanDerWaalsContact O-N 3.16Å; Q82-T84 HydrophobicContact CG-CG2 3.9Å; Q82-T84 PolarHBondContact O-N 2.65Å
83	Y	93.2	Very high	88.3	Confident	175 Å²	175	101.2 Å²	101.2	69%	0.686	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	117.2	170.1	-73.2	-78.8	0	0	0	109.6	V74 Y76	V74-Y83 HydrophobicContact CG1-CD1 4.04Å; V74-Y83 HydrophobicContact CG1-CG 4.26Å; Y76-Y83 HydrophobicContact CD2-CD1 4.09Å; Y76-Y83 HydrophobicContact CD2-CD2 4.11Å; Y76-Y83 AromaticContact CD2-CE1 3.93Å; Y76-Y83 HydrophobicContact CD2-CE1 3.93Å; Y76-Y83 AromaticContact CD2-CE2 3.95Å; Y76-Y83 HydrophobicContact CD2-CE2 3.95Å; Y76-Y83 HydrophobicContact CD2-CG 4.18Å; Y76-Y83 AromaticContact CD2-CZ 3.86Å; Y76-Y83 HydrophobicContact CE2-CE2 4.37Å; Y76-Y83 HydrophobicContact CG-CE1 4.43Å
84	T	88.2	Confident	88.2	Confident	47 Å²	47	103.4 Å²	103.4	29%	0.288	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	138.9	178.1	56.5	0	0	0	0	110.8	V74 R75 N77 Q82	V74-T84 WeakPolarHBondContact CA-O 3.4Å; R75-T84 PolarHBondContact N-O 3.34Å; R75-T84 PolarHBondContact O-N 3.48Å; R75-T84 PolarHBondContact O-OG1 3.38Å; N77-T84 HydrophobicContact CB-CG2 4.02Å; Q82-T84 HydrophobicContact CG-CG2 3.9Å; Q82-T84 PolarHBondContact O-N 2.65Å
85	Q	90.1	Very high	87.9	Confident	117 Å²	117	108.2 Å²	108.2	55%	0.547	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	135.8	178.7	-174.3	178.6	-6.3	0	0	110.6	N72	N72-Q85 PolarHBondContact OD1-NE2 3.16Å
86	V	87.6	Confident	87.7	Confident	45 Å²	45	108.2 Å²	108.2	27%	0.273	54%	0.54	S	S	.	.			trans	-77.8	127.1	173	-177	0	0	0	0	108.6	I73 R75 Q88	I73-V86 HydrophobicContact CB-CB 4.26Å; I73-V86 HydrophobicContact CB-CG2 4.27Å; I73-V86 HydrophobicContact CG2-CB 4.46Å; I73-V86 HydrophobicContact CG2-CG2 3.93Å; I73-V86 PolarHBondContact O-N 3.33Å; R75-V86 HydrophobicContact CG-CG2 4.26Å; V86-Q88 VanDerWaalsContact C-N 3.31Å; V86-Q88 PolarHBondContact O-N 3.09Å
87	P	83.2	Confident	87.6	Confident	125 Å²	125	113.2 Å²	113.2	81%	0.812	56%	0.558	S	S	*	*	S	Bend	trans	-69.4	-22	-168	22.9	-32.6	0	0	0	115
88	Q	83.9	Confident	87.5	Confident	168 Å²	168	117.5 Å²	117.5	79%	0.785	58%	0.577	S	S	*	*			trans	-138.5	134.2	179.3	-69.3	179.4	-18	0	0	109.8	V86	V86-Q88 VanDerWaalsContact C-N 3.31Å; V86-Q88 PolarHBondContact O-N 3.09Å
89	V	83.5	Confident	87.2	Confident	26 Å²	26	115.4 Å²	115.4	16%	0.158	57%	0.569	C	S	.	*			trans	-100.6	123.9	172.5	-179.4	0	0	0	0	107.8	A69 P70 I73 Q91	A69-V89 HydrophobicContact CB-CG1 4.22Å; P70-V89 HydrophobicContact CG-CG1 4.04Å; I73-V89 HydrophobicContact CD1-CG1 4.05Å; I73-V89 HydrophobicContact CD1-CG2 4.13Å; I73-V89 HydrophobicContact CG1-CG2 4.04Å; V89-Q91 PolarHBondContact O-N 3.37Å; V89-Q91 PolarHBondContact O-NE2 2.94Å
90	D	84.4	Confident	86.9	Confident	110 Å²	110	109.8 Å²	109.8	59%	0.588	55%	0.554	S	S	*	*			trans	-59.6	132.9	175.5	-167.4	-2.1	0	0	0	110.2	M92	D90-M92 WeakPolarHBondContact OD1-CB 3.25Å; D90-M92 PolarHBondContact OD1-N 3.21Å
91	Q	84.5	Confident	86.6	Confident	79 Å²	79	115.4 Å²	115.4	37%	0.369	57%	0.57	S	S	.	*			trans	-99.7	-5.6	-178.3	-59.1	-62.4	-49.7	0	0	111.5	N66 V89 A93	N66-Q91 HydrophobicContact CB-CB 4.32Å; N66-Q91 VanDerWaalsContact CB-O 3.29Å; N66-Q91 WeakPolarHBondContact CB-O 3.21Å; N66-Q91 PolarHBondContact ND2-O 3.45Å; V89-Q91 PolarHBondContact O-N 3.37Å; V89-Q91 PolarHBondContact O-NE2 2.94Å; Q91-A93 PolarHBondContact O-N 3.28Å
92	M	85.3	Confident	86.3	Confident	123 Å²	123	121 Å²	121	61%	0.606	59%	0.585	S	S	*	*			trans	-70.5	120.9	178.6	-173.5	169	57.7	0	0	110.9	D90 I94	D90-M92 WeakPolarHBondContact OD1-CB 3.25Å; D90-M92 PolarHBondContact OD1-N 3.21Å; M92-I94 HydrophobicContact CE-CD1 3.87Å; M92-I94 HydrophobicContact CE-CG1 3.91Å; M92-I94 HydrophobicContact CG-CG1 4.22Å; M92-I94 PolarHBondContact O-N 3.1Å
93	A	83.1	Confident	85.8	Confident	56 Å²	56	119.1 Å²	119.1	46%	0.463	58%	0.578	S	S	.	*			trans	-81.2	106.9	169.8	0	0	0	0	0	109.2	Q91	Q91-A93 PolarHBondContact O-N 3.28Å
94	I	85.7	Confident	85.3	Confident	97 Å²	97	115 Å²	115	50%	0.497	57%	0.573	S	S	.	*			trans	-92.6	110.3	172.2	-55.4	175.3	0	0	0	107.7	M92 W97	M92-I94 HydrophobicContact CE-CD1 3.87Å; M92-I94 HydrophobicContact CE-CG1 3.91Å; M92-I94 HydrophobicContact CG-CG1 4.22Å; M92-I94 PolarHBondContact O-N 3.1Å; I94-W97 HydrophobicContact CG2-CB 4.06Å
95	H	84.9	Confident	84.9	Confident	182 Å²	182	119.1 Å²	119.1	84%	0.843	59%	0.592	S	S	*	*			trans	-90.9	-30.6	176.7	-72.5	-87.8	0	0	0	112.9
96	F	87.1	Confident	84.5	Confident	169 Å²	169	120.1 Å²	120.1	74%	0.741	60%	0.601	S	S	*	*			trans	-141.6	129.9	-179.8	-178.5	-100	0	0	0	109.9	H98	F96-H98 HydrophobicContact CE1-CB 3.81Å; F96-H98 HydrophobicContact CZ-CB 3.75Å
97	W	89.9	Confident	84.3	Confident	203 Å²	203	119.3 Å²	119.3	77%	0.769	60%	0.598	S	S	*	*			trans	-140.1	127.9	171.1	175.1	12.7	0	0	0	107.7	I94	I94-W97 HydrophobicContact CG2-CB 4.06Å
98	H	87.8	Confident	84.2	Confident	138 Å²	138	117.9 Å²	117.9	64%	0.639	58%	0.583	S	S	*	*			trans	-125.6	126.7	173	-169.8	65.3	0	0	0	110	F96	F96-H98 HydrophobicContact CE1-CB 3.81Å; F96-H98 HydrophobicContact CZ-CB 3.75Å
99	E	86.9	Confident	84	Confident	138 Å²	138	115.8 Å²	115.8	65%	0.645	57%	0.573	S	S	*	*			trans	-88	129.5	173	-168.3	168.2	-160.3	0	0	108.9
100	S	82.4	Confident	83.9	Confident	70 Å²	70	115 Å²	115	49%	0.49	57%	0.569	S	S	.	*			trans	-93.7	143.9	-176.5	176.8	0	0	0	0	111.2	M102	S100-M102 PolarHBondContact OG-N 3.34Å; S100-M102 VanDerWaalsContact OG-N 3.15Å
101	Y	84.6	Confident	83.6	Confident	203 Å²	203	116 Å²	116	80%	0.796	57%	0.565	S	S	*	*			trans	-103.3	6.7	172.5	-55	-77.4	0	0	0	113.1
102	M	84.5	Confident	83.5	Confident	163 Å²	163	120.8 Å²	120.8	80%	0.803	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-84.4	121.9	178.5	-65.5	-170	-72.2	0	0	110.6	S100	S100-M102 PolarHBondContact OG-N 3.34Å; S100-M102 VanDerWaalsContact OG-N 3.15Å
103	L	82	Confident	83.2	Confident	67 Å²	67	120 Å²	120	35%	0.351	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-102	128.3	175.9	-65.4	170.4	0	0	0	109.9	I105 E109 A110	L103-I105 PolarHBondContact O-N 3.46Å; L103-E109 HydrophobicContact CD1-CB 4.45Å; L103-E109 HydrophobicContact CD1-CG 3.9Å; L103-E109 HydrophobicContact CD2-CB 4.14Å; L103-E109 HydrophobicContact CD2-CG 4.06Å; L103-E109 WeakPolarHBondContact CD2-OE2 3.46Å; L103-A110 HydrophobicContact CB-CB 4.43Å
104	P	82.8	Confident	82.8	Confident	88 Å²	88	120.3 Å²	120.3	57%	0.571	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-59.1	136.7	167.1	-20.2	31.7	0	0	0	110.1	D106 S107 A110	P104-D106 PolarHBondContact O-N 3.41Å; P104-S107 WeakPolarHBondContact O-CB 3.35Å; P104-S107 PolarHBondContact O-N 2.97Å; P104-S107 PolarHBondContact O-OG 2.89Å; P104-A110 VanDerWaalsContact O-CB 3.25Å; P104-A110 WeakPolarHBondContact O-CB 3.49Å
105	I	78	Confident	82.1	Confident	134 Å²	134	119.3 Å²	119.3	69%	0.687	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-32.4	-179.8	-63.3	168.9	0	0	0	111.2	L103 S107	L103-I105 PolarHBondContact O-N 3.46Å; I105-S107 PolarHBondContact O-N 2.86Å
106	D	82.7	Confident	81.5	Confident	138 Å²	138	121.2 Å²	121.2	74%	0.738	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-1.6	-179.5	-51.1	-26.5	0	0	0	113.1	P104	P104-D106 PolarHBondContact O-N 3.41Å
107	S	82.6	Confident	80.5	Confident	29 Å²	29	118.8 Å²	118.8	20%	0.203	56%	0.564	C	S	.	*	S	Bend	trans	-75.3	149.3	-179.5	72.8	0	0	0	0	112.4	P104 I105 E109 A110 R111	P104-S107 WeakPolarHBondContact O-CB 3.35Å; P104-S107 PolarHBondContact O-N 2.97Å; P104-S107 PolarHBondContact O-OG 2.89Å; I105-S107 PolarHBondContact O-N 2.86Å; S107-E109 PolarHBondContact O-N 3.38Å; S107-A110 PolarHBondContact O-N 2.82Å; S107-A110 VanDerWaalsContact OG-CB 3.29Å; S107-A110 WeakPolarHBondContact OG-CB 3.46Å; S107-A110 PolarHBondContact OG-N 3.44Å; S107-A110 VanDerWaalsContact OG-N 3.12Å; S107-R111 PolarHBondContact O-N 2.86Å
108	D	81.4	Confident	79.1	Confident	94 Å²	94	112.3 Å²	112.3	50%	0.503	56%	0.561	S	S	.	*	H	α-helix	trans	-60.7	-32.3	175.1	-77.2	-1.4	0	0	0	112.7	R111 R112	D108-R111 IonicContact OD1-CZ 3.58Å; D108-R111 IonicContact OD1-NE 3.58Å; D108-R111 IonicContact OD1-NH2 2.8Å; D108-R111 PolarHBondContact OD1-NH2 3.21Å; D108-R112 WeakPolarHBondContact O-CB 3.13Å; D108-R112 VanDerWaalsContact O-CG 3.27Å; D108-R112 WeakPolarHBondContact O-CG 3.26Å; D108-R112 PolarHBondContact O-N 3.16Å
109	E	80.1	Confident	77.6	Confident	124 Å²	124	111.2 Å²	111.2	58%	0.579	56%	0.564	S	S	*	*	H	α-helix	trans	-67.6	-44.8	176	-169.9	172.2	179.2	0	0	111.3	L103 S107 R111 R112 Q113	L103-E109 HydrophobicContact CD1-CB 4.45Å; L103-E109 HydrophobicContact CD1-CG 3.9Å; L103-E109 HydrophobicContact CD2-CB 4.14Å; L103-E109 HydrophobicContact CD2-CG 4.06Å; L103-E109 WeakPolarHBondContact CD2-OE2 3.46Å; S107-E109 PolarHBondContact O-N 3.38Å; E109-R111 PolarHBondContact O-N 2.85Å; E109-R112 PolarHBondContact O-N 3.16Å; E109-Q113 WeakPolarHBondContact O-CB 3.31Å; E109-Q113 PolarHBondContact O-N 3.1Å
110	A	81.4	Confident	75.6	Confident	9 Å²	9	110.7 Å²	110.7	7%	0.074	56%	0.563	C	S	.	*	H	α-helix	trans	-61.5	-43.5	173.7	0	0	0	0	0	111.7	L103 P104 S107 R112 Q113 I114	L103-A110 HydrophobicContact CB-CB 4.43Å; P104-A110 VanDerWaalsContact O-CB 3.25Å; P104-A110 WeakPolarHBondContact O-CB 3.49Å; S107-A110 PolarHBondContact O-N 2.82Å; S107-A110 VanDerWaalsContact OG-CB 3.29Å; S107-A110 WeakPolarHBondContact OG-CB 3.46Å; S107-A110 PolarHBondContact OG-N 3.44Å; S107-A110 VanDerWaalsContact OG-N 3.12Å; A110-R112 PolarHBondContact O-N 3.2Å; A110-Q113 PolarHBondContact O-N 2.73Å; A110-Q113 VanDerWaalsContact O-N 3.16Å; A110-I114 WeakPolarHBondContact O-CB 3.41Å; A110-I114 VanDerWaalsContact O-CG1 3.25Å; A110-I114 WeakPolarHBondContact O-CG1 3.45Å; A110-I114 PolarHBondContact O-N 2.94Å
111	R	79.1	Confident	74	Confident	133 Å²	133	114.7 Å²	114.7	50%	0.502	57%	0.574	S	S	.	*	H	α-helix	trans	-60.9	-40.7	175.9	-75	-170.7	-82.7	-152.6	1.2	112.8	S107 D108 E109 Q113 S115	S107-R111 PolarHBondContact O-N 2.86Å; D108-R111 IonicContact OD1-CZ 3.58Å; D108-R111 IonicContact OD1-NE 3.58Å; D108-R111 IonicContact OD1-NH2 2.8Å; D108-R111 PolarHBondContact OD1-NH2 3.21Å; E109-R111 PolarHBondContact O-N 2.85Å; R111-Q113 VanDerWaalsContact C-N 3.34Å; R111-S115 WeakPolarHBondContact O-CB 3.4Å; R111-S115 PolarHBondContact O-N 3.17Å; R111-S115 PolarHBondContact O-OG 3.36Å
112	R	80.8	Confident	72.3	Confident	178 Å²	178	110.2 Å²	110.2	67%	0.672	57%	0.569	S	S	*	*	H	α-helix	trans	-68.5	-31.3	175.1	-74	175.2	-171.5	166.9	6.2	113	D108 E109 A110 S115 R116	D108-R112 WeakPolarHBondContact O-CB 3.13Å; D108-R112 VanDerWaalsContact O-CG 3.27Å; D108-R112 WeakPolarHBondContact O-CG 3.26Å; D108-R112 PolarHBondContact O-N 3.16Å; E109-R112 PolarHBondContact O-N 3.16Å; A110-R112 PolarHBondContact O-N 3.2Å; R112-S115 PolarHBondContact O-OG 3.43Å; R112-S115 VanDerWaalsContact O-OG 3.08Å; R112-R116 WeakPolarHBondContact O-CB 3.41Å; R112-R116 PolarHBondContact O-N 3.36Å
113	Q	79.6	Confident	70.6	Confident	106 Å²	106	110.3 Å²	110.3	50%	0.495	57%	0.568	S	S	.	*	H	α-helix	trans	-74.4	-45	176.6	-160.3	174.1	4	0	0	110.9	E109 A110 R111 S115 R116 D117	E109-Q113 WeakPolarHBondContact O-CB 3.31Å; E109-Q113 PolarHBondContact O-N 3.1Å; A110-Q113 PolarHBondContact O-N 2.73Å; A110-Q113 VanDerWaalsContact O-N 3.16Å; R111-Q113 VanDerWaalsContact C-N 3.34Å; Q113-S115 VanDerWaalsContact C-N 3.34Å; Q113-S115 PolarHBondContact O-N 3.17Å; Q113-R116 PolarHBondContact O-N 3.05Å; Q113-R116 VanDerWaalsContact O-N 3.13Å; Q113-D117 PolarHBondContact O-N 2.87Å
114	I	75.2	Confident	69.1	Low	63 Å²	63	113 Å²	113	32%	0.323	58%	0.583	S	S	.	*	H	α-helix	trans	-61.3	-40.5	175.3	-66.6	164.8	0	0	0	111.3	A110 R116 D117 G118	A110-I114 WeakPolarHBondContact O-CB 3.41Å; A110-I114 VanDerWaalsContact O-CG1 3.25Å; A110-I114 WeakPolarHBondContact O-CG1 3.45Å; A110-I114 PolarHBondContact O-N 2.94Å; I114-R116 VanDerWaalsContact C-N 3.28Å; I114-R116 PolarHBondContact O-N 3.28Å; I114-D117 PolarHBondContact O-N 2.97Å; I114-G118 PolarHBondContact O-N 3.26Å
115	S	71.4	Confident	67.6	Low	77 Å²	77	115 Å²	115	54%	0.538	59%	0.588	S	S	.	*	H	α-helix	trans	-68.8	-26.6	177.2	72	0	0	0	0	113.1	R111 R112 Q113	R111-S115 WeakPolarHBondContact O-CB 3.4Å; R111-S115 PolarHBondContact O-N 3.17Å; R111-S115 PolarHBondContact O-OG 3.36Å; R112-S115 PolarHBondContact O-OG 3.43Å; R112-S115 VanDerWaalsContact O-OG 3.08Å; Q113-S115 VanDerWaalsContact C-N 3.34Å; Q113-S115 PolarHBondContact O-N 3.17Å
116	R	72.3	Confident	66.1	Low	221 Å²	221	117 Å²	117	83%	0.834	60%	0.595	S	S	*	*	H	α-helix	trans	-80.3	-28.7	176.9	-168.8	176.9	165	-174.5	-7.3	112.8	R112 Q113 I114	R112-R116 WeakPolarHBondContact O-CB 3.41Å; R112-R116 PolarHBondContact O-N 3.36Å; Q113-R116 PolarHBondContact O-N 3.05Å; Q113-R116 VanDerWaalsContact O-N 3.13Å; I114-R116 VanDerWaalsContact C-N 3.28Å; I114-R116 PolarHBondContact O-N 3.28Å
117	D	65.8	Low	64.4	Low	118 Å²	118	116.2 Å²	116.2	63%	0.631	60%	0.595	S	S	*	*	H	α-helix	trans	-88.7	-2.3	-179.2	-73.8	-15.1	0	0	0	114.3	Q113 I114	Q113-D117 PolarHBondContact O-N 2.87Å; I114-D117 PolarHBondContact O-N 2.97Å
118	G	59.2	Low	62.5	Low	68 Å²	68	123.1 Å²	123.1	70%	0.701	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	81.4	19.5	162.4	0	0	0	0	0	117	I114	I114-G118 PolarHBondContact O-N 3.26Å
119	T	57.3	Low	60.8	Low	114 Å²	114	127.9 Å²	127.9	70%	0.699	64%	0.643	S	S	*	*			trans	-97	5.1	-173.7	40.9	0	0	0	0	116.8
120	M	45.2	Very low	58.9	Low	127 Å²	127	130 Å²	130	63%	0.626	65%	0.653	S	S	*	*	S	Bend	trans	-110.8	135.3	177.8	-98.5	-175.1	154.3	0	0	112.8
121	Q	48.7	Very low	57.1	Low	154 Å²	154	137 Å²	137	72%	0.72	69%	0.689	S	S	*	*			trans	-70.9	151.9	176.3	-69.9	-163.4	21.5	0	0	111.7	E123	Q121-E123 PolarHBondContact O-N 3.35Å
122	P	48.4	Very low	55.3	Low	109 Å²	109	140.1 Å²	140.1	71%	0.708	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	11.7	-165.6	-15.2	31.2	0	0	0	116.8
123	E	48.6	Very low	53.3	Low	165 Å²	165	140.8 Å²	140.8	77%	0.771	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	-15.4	-171.4	-64.4	-171.5	169.6	0	0	114.1	Q121	Q121-E123 PolarHBondContact O-N 3.35Å
124	D	51.3	Low	51.3	Low	123 Å²	123	141.6 Å²	141.6	66%	0.658	73%	0.731	S	S	*	*	S	Bend	trans	-100.9	4	-175	-67.9	-37.2	0	0	0	115.2
125	L	51	Low	49.4	Very low	130 Å²	130	143 Å²	143	68%	0.681	75%	0.752	S	S	*	*	S	Bend	trans	-95.2	2.1	-172.6	-89.5	151.8	0	0	0	115.2
126	Q	46.6	Very low	47.8	Very low	178 Å²	178	146.2 Å²	146.2	83%	0.832	77%	0.769	S	S	*	*	S	Bend	trans	-104.6	1.9	-170.4	-71.6	-173.8	2.7	0	0	116
127	T	45.8	Very low	46	Very low	120 Å²	120	139.8 Å²	139.8	74%	0.736	76%	0.762	S	S	*	*	S	Bend	trans	-112.6	-1.8	-161.3	-0.7	0	0	0	0	118.1
128	E	44.4	Very low	44.7	Very low	174 Å²	174	141 Å²	141	81%	0.813	77%	0.774	S	S	*	*			trans	-132.4	16.9	-177.9	-70.6	-160.2	155.2	0	0	116.9	H130	E128-H130 PolarHBondContact O-N 3.27Å; E128-H130 VanDerWaalsContact O-N 3.15Å
129	E	44.2	Very low	43.6	Very low	194 Å²	194	145.1 Å²	145.1	91%	0.907	77%	0.773	S	S	*	*	S	Bend	trans	-74.2	10	167.8	-87.5	-166.7	159.1	0	0	114.2
130	H	41.9	Very low	42.4	Very low	169 Å²	169	146.7 Å²	146.7	78%	0.782	77%	0.772	S	S	*	*			trans	-124.1	84.2	177	-86.5	0.3	0	0	0	110.1	E128	E128-H130 PolarHBondContact O-N 3.27Å; E128-H130 VanDerWaalsContact O-N 3.15Å
131	N	42.8	Very low	42	Very low	156 Å²	156	145.4 Å²	145.4	83%	0.834	78%	0.776	S	S	*	*			trans	177.1	131	135.4	-89.1	-35.3	0	0	0	112.7
132	K	41.1	Very low	41.3	Very low	198 Å²	198	145.3 Å²	145.3	86%	0.861	78%	0.78	S	S	*	*			trans	97.8	67.1	164.1	-57.5	-178.4	-179.2	177.3	0	118.7
133	E	39.1	Very low	40.8	Very low	193 Å²	193	148.4 Å²	148.4	90%	0.902	79%	0.789	S	S	*	*				42.3	151.1	111.9	-74.9	-167	159.7	0	0	124.2
134	P	37.9	Very low	40.4	Very low	123 Å²	123	149.5 Å²	149.5	80%	0.799	80%	0.795	S	S	*	*			trans	-125	156.3	-144.7	38.1	-20.2	0	0	0	115.7
135	A	35.4	Very low	39.8	Very low	92 Å²	92	151.6 Å²	151.6	76%	0.76	81%	0.805	S	S	*	*			trans	-166.1	130.8	155.2	0	0	0	0	0	108.3
136	T	36.9	Very low	39.3	Very low	145 Å²	145	150.6 Å²	150.6	89%	0.89	81%	0.806	S	S	*	*			cis	-161	138.3	5.5	12.9	0	0	0	0	106.6
137	A	34.4	Very low	39.1	Very low	85 Å²	85	151.1 Å²	151.1	70%	0.702	81%	0.809	S	S	*	*			trans	-90.5	150.3	-173.1	0	0	0	0	0	113.6
138	V	38.1	Very low	39.1	Very low	143 Å²	143	155 Å²	155	87%	0.867	82%	0.816	S	S	*	*			trans	-143.9	93.2	144.4	-175.2	0	0	0	0	105.1
139	K	36.1	Very low	39	Very low	156 Å²	156	155.2 Å²	155.2	68%	0.678	81%	0.814	S	S	*	*				51	129.3	88.6	-74.6	-173.4	164.6	-134.3	0	112
140	E	33	Very low	39.2	Very low	147 Å²	147	153 Å²	153	69%	0.687	81%	0.813	S	S	*	*			cis	-175.3	174	21.9	-123.8	159.1	-162.6	0	0	108.4
141	S	36.3	Very low	39.6	Very low	100 Å²	100	149.9 Å²	149.9	70%	0.699	81%	0.806	S	S	*	*			trans	93.1	88.2	165.7	71.9	0	0	0	0	118.1
142	D	35.1	Very low	39.8	Very low	151 Å²	151	147.9 Å²	147.9	81%	0.807	80%	0.795	S	S	*	*				57.9	86.6	121.9	-57.6	-16.4	0	0	0	118.3
143	L	37.7	Very low	40.8	Very low	174 Å²	174	145.6 Å²	145.6	91%	0.911	79%	0.787	S	S	*	*			trans	-144.9	107.5	137.9	-90.8	124.6	0	0	0	108.7	L145	L143-L145 PolarHBondContact O-N 3.11Å; L143-L145 VanDerWaalsContact O-N 3.12Å
144	Q	38.5	Very low	41.6	Very low	188 Å²	188	145 Å²	145	88%	0.879	78%	0.782	S	S	*	*			trans	-39.3	116.4	165.4	-73.1	156.7	-8.8	0	0	109.5	P146	Q144-P146 WeakPolarHBondContact O-CD 3.07Å
145	L	38.7	Very low	42.6	Very low	167 Å²	167	146 Å²	146	87%	0.874	78%	0.781	S	S	*	*			trans	-51.3	117.4	167.4	-87.2	153.7	0	0	0	106.8	L143 Q147	L143-L145 PolarHBondContact O-N 3.11Å; L143-L145 VanDerWaalsContact O-N 3.12Å; L145-Q147 PolarHBondContact O-N 3.22Å; L145-Q147 VanDerWaalsContact O-N 3.11Å
146	P	41.4	Very low	43.9	Very low	109 Å²	109	150.5 Å²	150.5	71%	0.708	78%	0.784	S	S	*	*			trans	-62	123.9	-177.6	24.3	-30.1	0	0	0	106.4	Q144 K148	Q144-P146 WeakPolarHBondContact O-CD 3.07Å; P146-K148 PolarHBondContact O-N 2.81Å
147	Q	42.4	Very low	45.4	Very low	190 Å²	190	149 Å²	149	89%	0.888	78%	0.778	S	S	*	*			trans	-42.9	115.3	161.7	-77.6	179.6	-23.6	0	0	106	L145 K149	L145-Q147 PolarHBondContact O-N 3.22Å; L145-Q147 VanDerWaalsContact O-N 3.11Å; Q147-K149 PolarHBondContact O-N 2.96Å
148	K	45.5	Very low	47.5	Very low	202 Å²	202	154.5 Å²	154.5	88%	0.878	79%	0.789	S	S	*	*			trans	-56.7	95.5	178.8	-111.5	179.8	177.6	175.9	0	105.8	P146 V150	P146-K148 PolarHBondContact O-N 2.81Å; K148-V150 PolarHBondContact O-N 3.35Å
149	K	42.8	Very low	49.5	Very low	178 Å²	178	159.1 Å²	159.1	77%	0.774	79%	0.791	S	S	*	*			trans	-49	119.3	160	-82.1	-179.6	175.3	177.6	0	103.4	Q147 T151	Q147-K149 PolarHBondContact O-N 2.96Å; K149-T151 HydrophobicContact CB-CG2 3.99Å; K149-T151 PolarHBondContact O-N 2.77Å
150	V	49.1	Very low	51.7	Low	146 Å²	146	157.3 Å²	157.3	89%	0.885	80%	0.798	S	S	*	*			trans	-65.4	78.8	166.1	-176.6	0	0	0	0	105	K148 N152	K148-V150 PolarHBondContact O-N 3.35Å; V150-N152 PolarHBondContact O-N 3.47Å
151	T	50	Low	54.1	Low	104 Å²	104	157.2 Å²	157.2	64%	0.638	81%	0.808	S	S	*	*			trans	-67.8	121.6	176.4	45.7	0	0	0	0	105.9	K149 Q153	K149-T151 HydrophobicContact CB-CG2 3.99Å; K149-T151 PolarHBondContact O-N 2.77Å; T151-Q153 PolarHBondContact O-N 3.21Å
152	N	47.2	Very low	56.3	Low	115 Å²	115	160.9 Å²	160.9	62%	0.615	81%	0.814	S	S	*	*			trans	-36.2	107.3	175.4	-169.5	-1.3	0	0	0	111.1	V150 F154	V150-N152 PolarHBondContact O-N 3.47Å; N152-F154 PolarHBondContact O-N 3.13Å; N152-F154 VanDerWaalsContact O-N 3.11Å; N152-F154 VanDerWaalsContact OD1-CB 3.31Å; N152-F154 WeakPolarHBondContact OD1-CB 3.29Å; N152-F154 WeakPolarHBondContact OD1-CD2 3.48Å; N152-F154 PolarHBondContact OD1-N 3.23Å
153	Q	60.5	Low	58.6	Low	149 Å²	149	159.4 Å²	159.4	70%	0.696	81%	0.81	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	6.6	-179.3	-68.2	-177.4	-2.6	0	0	112.7	T151 F156	T151-Q153 PolarHBondContact O-N 3.21Å; Q153-F156 HydrophobicContact CB-CE2 4.31Å; Q153-F156 WeakPolarHBondContact O-CD2 3.37Å; Q153-F156 WeakPolarHBondContact O-CE2 3.44Å
154	F	57.8	Low	60.6	Low	180 Å²	180	160.1 Å²	160.1	79%	0.789	80%	0.802	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	0.4	-174.5	-74.2	-89.8	0	0	0	115.2	N152	N152-F154 PolarHBondContact O-N 3.13Å; N152-F154 VanDerWaalsContact O-N 3.11Å; N152-F154 VanDerWaalsContact OD1-CB 3.31Å; N152-F154 WeakPolarHBondContact OD1-CB 3.29Å; N152-F154 WeakPolarHBondContact OD1-CD2 3.48Å; N152-F154 PolarHBondContact OD1-N 3.23Å
155	N	57.2	Low	62.7	Low	146 Å²	146	157.1 Å²	157.1	78%	0.781	79%	0.792	S	S	*	*			trans	-127.4	62.7	-179.9	-74.5	-12.1	0	0	0	113.2
156	F	62.9	Low	64.9	Low	186 Å²	186	155.2 Å²	155.2	82%	0.816	78%	0.783	S	S	*	*			trans	-81.3	128.7	164.7	-70.8	-81	0	0	0	109.8	Q153	Q153-F156 HydrophobicContact CB-CE2 4.31Å; Q153-F156 WeakPolarHBondContact O-CD2 3.37Å; Q153-F156 WeakPolarHBondContact O-CE2 3.44Å
157	C	68.9	Low	66.9	Low	113 Å²	113	154.8 Å²	154.8	76%	0.764	78%	0.78	S	S	*	*			trans	-111.5	132.7	171.1	-124.8	0	0	0	0	107.7	R159	C157-R159 PolarHBondContact O-N 2.87Å
158	E	78.5	Confident	69	Low	201 Å²	201	154.9 Å²	154.9	94%	0.939	78%	0.781	S	S	*	*			trans	-58.9	125.7	173.4	-70.9	-175	160	0	0	109.6
159	R	79.9	Confident	70.8	Confident	239 Å²	239	154.6 Å²	154.6	90%	0.902	77%	0.774	S	S	*	*			trans	-120.8	118.3	170.1	-69.2	-174	179.3	-175.1	0.3	107.7	C157	C157-R159 PolarHBondContact O-N 2.87Å
160	S	82.7	Confident	72.9	Confident	118 Å²	118	154.1 Å²	154.1	83%	0.825	78%	0.78	S	S	*	*			trans	-105.9	130.3	171.5	55.5	0	0	0	0	109.9
161	T	83.3	Confident	74.7	Confident	145 Å²	145	157.5 Å²	157.5	89%	0.89	78%	0.777	S	S	*	*			trans	-115.5	143	162	57.5	0	0	0	0	107.7
162	Q	82.1	Confident	76.5	Confident	177 Å²	177	156.6 Å²	156.6	83%	0.827	79%	0.788	S	S	*	*			trans	-129.6	126.8	177.8	-171	176.1	20.5	0	0	108.8
163	T	83.7	Confident	78.2	Confident	120 Å²	120	155 Å²	155	74%	0.736	80%	0.799	S	S	*	*			trans	-66.3	132.2	168.2	-51.6	0	0	0	0	108.4	N165	T163-N165 PolarHBondContact O-N 3.13Å; T163-N165 VanDerWaalsContact O-N 3.07Å; T163-N165 PolarHBondContact O-OD1 2.88Å
164	Y	80.1	Confident	79.3	Confident	190 Å²	190	155.5 Å²	155.5	75%	0.745	80%	0.803	S	S	*	*			trans	-65.4	111.5	-179.7	-165.8	-93.6	0	0	0	110.2	N166	Y164-N166 VanDerWaalsContact CD1-OD1 3.26Å; Y164-N166 WeakPolarHBondContact CD1-OD1 3.38Å; Y164-N166 WeakPolarHBondContact CE1-OD1 3.06Å
165	N	83.3	Confident	80.7	Confident	125 Å²	125	153.4 Å²	153.4	67%	0.668	81%	0.805	S	S	*	*			trans	-88.6	109.9	174.9	-70.1	-13.7	0	0	0	108.9	T163	T163-N165 PolarHBondContact O-N 3.13Å; T163-N165 VanDerWaalsContact O-N 3.07Å; T163-N165 PolarHBondContact O-OD1 2.88Å
166	N	83.2	Confident	82	Confident	127 Å²	127	153.6 Å²	153.6	68%	0.679	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-66.8	128.2	173.6	-70.8	-37.6	0	0	0	109.7	Y164 Q168	Y164-N166 VanDerWaalsContact CD1-OD1 3.26Å; Y164-N166 WeakPolarHBondContact CD1-OD1 3.38Å; Y164-N166 WeakPolarHBondContact CE1-OD1 3.06Å; N166-Q168 PolarHBondContact O-N 2.9Å
167	P	84.5	Confident	83.2	Confident	100 Å²	100	150 Å²	150	65%	0.649	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-65.8	129.6	175.2	26.6	-33	0	0	0	110
168	Q	85.5	Confident	84.2	Confident	192 Å²	192	149.8 Å²	149.8	90%	0.897	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-72.7	136.8	172.6	-69.4	-179.3	-33	0	0	109.9	N166	N166-Q168 PolarHBondContact O-N 2.9Å
169	R	84.9	Confident	84.7	Confident	196 Å²	196	146.6 Å²	146.6	74%	0.74	79%	0.791	S	S	*	*			trans	-137.7	124.8	174.5	-73.2	-173.7	176.6	-180	-1.2	109.3
170	D	86.9	Confident	85.2	Confident	167 Å²	167	146.8 Å²	146.8	89%	0.893	79%	0.791	S	S	*	*			trans	-86.5	137	172.1	-65	-25.6	0	0	0	110.4
171	R	85.8	Confident	85.6	Confident	218 Å²	218	145.8 Å²	145.8	82%	0.823	79%	0.79	S	S	*	*			trans	-135.5	125	171.8	-68.8	-177.4	177.8	151	-3.9	108.8
172	G	87.4	Confident	86	Confident	84 Å²	84	147.2 Å²	147.2	87%	0.866	79%	0.792	S	S	*	*			trans	-100.1	140.8	166.3	0	0	0	0	0	110.1
173	G	84.4	Confident	86.4	Confident	82 Å²	82	147.6 Å²	147.6	85%	0.845	79%	0.791	S	S	*	*			trans	-109.9	127.4	168.6	0	0	0	0	0	109.5
174	M	83.5	Confident	86.9	Confident	159 Å²	159	147.6 Å²	147.6	78%	0.783	80%	0.796	S	S	*	*			trans	-121.6	116.8	166.8	-175.3	176.6	77.5	0	0	107.3	E176	M174-E176 HydrophobicContact CE-CG 4.26Å
175	T	86.2	Confident	87.4	Confident	136 Å²	136	141.5 Å²	141.5	83%	0.834	79%	0.785	S	S	*	*			trans	-93.8	111.4	178.5	-52.3	0	0	0	0	108.6
176	E	85.1	Confident	87.8	Confident	151 Å²	151	142.7 Å²	142.7	71%	0.706	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-77.4	129.8	171.3	-67.8	-173.3	170.9	0	0	109.9	M174	M174-E176 HydrophobicContact CE-CG 4.26Å
177	P	87.9	Confident	88.3	Confident	110 Å²	110	142.4 Å²	142.4	71%	0.714	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-65.5	148.2	174.2	27.3	-32.7	0	0	0	110.3
178	P	89.3	Confident	88.8	Confident	109 Å²	109	139.7 Å²	139.7	71%	0.708	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-60.1	140.2	177.9	23.2	-31.7	0	0	0	110.8	R180	P178-R180 PolarHBondContact O-N 3.22Å
179	P	89.5	Confident	89.4	Confident	134 Å²	134	139 Å²	139	87%	0.87	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-62.2	133.3	-178.3	25.8	-33.5	0	0	0	110.2
180	R	90.4	Very high	89.9	Confident	243 Å²	243	138.4 Å²	138.4	92%	0.917	77%	0.77	S	S	*	*			trans	-109.9	135.9	174	-64.2	-174.7	-69.1	177	-1	109.1	P178	P178-R180 PolarHBondContact O-N 3.22Å
181	A	90.8	Very high	90.2	Very high	96 Å²	96	131.7 Å²	131.7	79%	0.793	74%	0.737	S	S	*	*			trans	-127.4	145.3	172	0	0	0	0	0	109.6
182	N	90.8	Very high	90.7	Very high	176 Å²	176	125 Å²	125	94%	0.941	72%	0.716	S	S	*	*			trans	-91.8	130	172.3	-68.1	-16.8	0	0	0	108.7
183	F	92.2	Very high	91.2	Very high	184 Å²	184	128 Å²	128	81%	0.807	70%	0.702	S	S	*	*			trans	-122.8	132.4	174.6	172	-97.5	0	0	0	109.3	A185	F183-A185 HydrophobicContact CE1-CB 3.89Å; F183-A185 HydrophobicContact CE2-CB 4.27Å; F183-A185 HydrophobicContact CZ-CB 3.51Å
184	S	93.1	Very high	91.7	Very high	120 Å²	120	128.1 Å²	128.1	84%	0.839	68%	0.684	S	S	*	*			trans	-137.7	135	169.4	55.7	0	0	0	0	109.9
185	A	90.3	Very high	92.3	Very high	62 Å²	62	125.2 Å²	125.2	51%	0.512	67%	0.672	S	S	.	*			trans	-146.1	154.1	175.1	0	0	0	0	0	109.2	F183	F183-A185 HydrophobicContact CE1-CB 3.89Å; F183-A185 HydrophobicContact CE2-CB 4.27Å; F183-A185 HydrophobicContact CZ-CB 3.51Å
186	N	92.5	Very high	92.8	Very high	150 Å²	150	127.2 Å²	127.2	80%	0.802	67%	0.665	S	S	*	*			trans	-99.6	118.3	176.1	-69.9	-15.4	0	0	0	109
187	V	93.4	Very high	93.2	Very high	122 Å²	122	123.1 Å²	123.1	74%	0.739	65%	0.647	S	S	*	*			trans	-92.5	117	173.3	-177.8	0	0	0	0	108.2	I192	V187-I192 HydrophobicContact CG1-CD1 3.89Å; V187-I192 HydrophobicContact CG1-CG1 4.09Å
188	T	95.9	Very high	93.6	Very high	43 Å²	43	122.4 Å²	122.4	26%	0.264	63%	0.634	S	S	.	*			trans	-128.8	161.1	178.8	58.7	0	0	0	0	109.6	W190 S191 I192	T188-W190 VanDerWaalsContact CB-CD1 3.46Å; T188-W190 HydrophobicContact CG2-CZ2 4.47Å; T188-W190 PolarHBondContact O-N 3.1Å; T188-W190 PolarHBondContact OG1-NE1 3.35Å; T188-S191 PolarHBondContact N-OG 3.06Å; T188-S191 PolarHBondContact O-N 3.14Å; T188-S191 PolarHBondContact O-OG 3.1Å; T188-S191 PolarHBondContact OG1-N 2.95Å; T188-S191 PolarHBondContact OG1-OG 3.11Å; T188-I192 WeakPolarHBondContact O-CG1 3.44Å; T188-I192 PolarHBondContact O-N 2.76Å; T188-I192 VanDerWaalsContact O-N 3.1Å
189	Q	96.6	Very high	93.8	Very high	176 Å²	176	121 Å²	121	82%	0.822	62%	0.621	S	S	*	*	H	α-helix	trans	-61.8	-32.2	179.8	-70.9	-177.1	-9.7	0	0	112.6	Y193	Q189-Y193 WeakPolarHBondContact O-CB 3.29Å; Q189-Y193 PolarHBondContact O-N 2.97Å
190	W	95.6	Very high	94	Very high	184 Å²	184	120.1 Å²	120.1	70%	0.697	60%	0.604	S	S	*	*	H	α-helix	trans	-73.9	-37.9	177.4	52.8	-78.8	0	0	0	112.1	T188 I192 Y193 D194	T188-W190 VanDerWaalsContact CB-CD1 3.46Å; T188-W190 HydrophobicContact CG2-CZ2 4.47Å; T188-W190 PolarHBondContact O-N 3.1Å; T188-W190 PolarHBondContact OG1-NE1 3.35Å; W190-I192 VanDerWaalsContact C-N 3.34Å; W190-I192 PolarHBondContact O-N 3.46Å; W190-Y193 WeakPolarHBondContact O-CB 3.18Å; W190-Y193 PolarHBondContact O-N 3.4Å; W190-D194 WeakPolarHBondContact O-CB 3.33Å; W190-D194 PolarHBondContact O-N 2.96Å
191	S	94.3	Very high	94.2	Very high	27 Å²	27	114 Å²	114	19%	0.189	59%	0.585	C	S	.	*	H	α-helix	trans	-62.7	-41.5	172.9	69	0	0	0	0	112	T188 Y193 D194 D195	T188-S191 PolarHBondContact N-OG 3.06Å; T188-S191 PolarHBondContact O-N 3.14Å; T188-S191 PolarHBondContact O-OG 3.1Å; T188-S191 PolarHBondContact OG1-N 2.95Å; T188-S191 PolarHBondContact OG1-OG 3.11Å; S191-Y193 VanDerWaalsContact C-N 3.34Å; S191-D194 PolarHBondContact O-N 3.38Å; S191-D195 WeakPolarHBondContact O-CB 3.3Å; S191-D195 PolarHBondContact O-N 3.11Å
192	I	95.8	Very high	94.3	Very high	76 Å²	76	113.5 Å²	113.5	39%	0.39	57%	0.566	S	S	.	*	H	α-helix	trans	-62.2	-44.4	174.5	-63.6	168.7	0	0	0	110.3	V187 T188 W190 Y196	V187-I192 HydrophobicContact CG1-CD1 3.89Å; V187-I192 HydrophobicContact CG1-CG1 4.09Å; T188-I192 WeakPolarHBondContact O-CG1 3.44Å; T188-I192 PolarHBondContact O-N 2.76Å; T188-I192 VanDerWaalsContact O-N 3.1Å; W190-I192 VanDerWaalsContact C-N 3.34Å; W190-I192 PolarHBondContact O-N 3.46Å; I192-Y196 HydrophobicContact CG2-CD2 3.77Å; I192-Y196 HydrophobicContact CG2-CE2 3.72Å; I192-Y196 WeakPolarHBondContact O-CB 3.49Å; I192-Y196 WeakPolarHBondContact O-CD2 3.49Å; I192-Y196 PolarHBondContact O-N 3.23Å
193	Y	97.1	Very high	94.3	Very high	147 Å²	147	109.6 Å²	109.6	58%	0.576	54%	0.542	S	S	*	.	H	α-helix	trans	-59.5	-49.5	178	175.5	-93.2	0	0	0	111.7	Q189 W190 S191 Y196 I197	Q189-Y193 WeakPolarHBondContact O-CB 3.29Å; Q189-Y193 PolarHBondContact O-N 2.97Å; W190-Y193 WeakPolarHBondContact O-CB 3.18Å; W190-Y193 PolarHBondContact O-N 3.4Å; S191-Y193 VanDerWaalsContact C-N 3.34Å; Y193-Y196 PolarHBondContact O-N 2.83Å; Y193-I197 HydrophobicContact CD1-CG1 4.19Å; Y193-I197 HydrophobicContact CE1-CD1 4.48Å; Y193-I197 HydrophobicContact CE1-CG1 3.78Å; Y193-I197 HydrophobicContact CE2-CD1 4.21Å; Y193-I197 HydrophobicContact CE2-CG1 4.12Å; Y193-I197 WeakPolarHBondContact O-CG1 3.48Å; Y193-I197 PolarHBondContact O-N 3.05Å
194	D	96.4	Very high	94	Very high	85 Å²	85	104.8 Å²	104.8	46%	0.455	52%	0.522	S	S	.	.	H	α-helix	trans	-61.7	-46.2	-179	-66.2	-21.6	0	0	0	111.2	W190 S191 Y196 I197 E198	W190-D194 WeakPolarHBondContact O-CB 3.33Å; W190-D194 PolarHBondContact O-N 2.96Å; S191-D194 PolarHBondContact O-N 3.38Å; D194-Y196 VanDerWaalsContact C-N 3.31Å; D194-Y196 PolarHBondContact O-N 2.95Å; D194-I197 PolarHBondContact O-N 3.07Å; D194-E198 PolarHBondContact O-N 2.89Å
195	D	94.7	Very high	93.7	Very high	99 Å²	99	105.1 Å²	105.1	53%	0.529	51%	0.51	S	S	.	.	H	α-helix	trans	-60.7	-40.1	177	-70.9	-21	0	0	0	111.8	S191 E198 D199	S191-D195 WeakPolarHBondContact O-CB 3.3Å; S191-D195 PolarHBondContact O-N 3.11Å; D195-E198 PolarHBondContact O-N 3.26Å; D195-D199 PolarHBondContact O-N 3.2Å
196	Y	96.3	Very high	93.5	Very high	177 Å²	177	108.4 Å²	108.4	69%	0.694	51%	0.512	S	S	*	.	H	α-helix	trans	-69.9	-38.3	178.1	-91.2	-115.8	0	0	0	112.4	I192 Y193 D194 F200	I192-Y196 HydrophobicContact CG2-CD2 3.77Å; I192-Y196 HydrophobicContact CG2-CE2 3.72Å; I192-Y196 WeakPolarHBondContact O-CB 3.49Å; I192-Y196 WeakPolarHBondContact O-CD2 3.49Å; I192-Y196 PolarHBondContact O-N 3.23Å; Y193-Y196 PolarHBondContact O-N 2.83Å; D194-Y196 VanDerWaalsContact C-N 3.31Å; D194-Y196 PolarHBondContact O-N 2.95Å; Y196-F200 VanDerWaalsContact O-CB 3.24Å; Y196-F200 WeakPolarHBondContact O-CB 3.42Å; Y196-F200 PolarHBondContact O-N 3.46Å
197	I	95.3	Very high	92.9	Very high	65 Å²	65	105.5 Å²	105.5	33%	0.333	50%	0.497	S	S	.	.	H	α-helix	trans	-64	-45.2	174.3	-68.7	-67.3	0	0	0	109.9	Y193 D194 D199 F200 E201	Y193-I197 HydrophobicContact CD1-CG1 4.19Å; Y193-I197 HydrophobicContact CE1-CD1 4.48Å; Y193-I197 HydrophobicContact CE1-CG1 3.78Å; Y193-I197 HydrophobicContact CE2-CD1 4.21Å; Y193-I197 HydrophobicContact CE2-CG1 4.12Å; Y193-I197 WeakPolarHBondContact O-CG1 3.48Å; Y193-I197 PolarHBondContact O-N 3.05Å; D194-I197 PolarHBondContact O-N 3.07Å; I197-D199 PolarHBondContact O-N 3.32Å; I197-F200 PolarHBondContact O-N 3.45Å; I197-E201 WeakPolarHBondContact O-CG 3.31Å; I197-E201 PolarHBondContact O-N 2.64Å
198	E	94.4	Very high	92.2	Very high	95 Å²	95	105.6 Å²	105.6	44%	0.444	49%	0.488	S	S	.	.	H	α-helix	trans	-62.9	-43	178.1	-164.5	-167.1	169.5	0	0	111.8	D194 D195 E201 K202	D194-E198 PolarHBondContact O-N 2.89Å; D195-E198 PolarHBondContact O-N 3.26Å; E198-E201 PolarHBondContact O-N 3.02Å; E198-K202 HydrophobicContact CG-CD 4.49Å; E198-K202 VanDerWaalsContact O-CG 3.31Å; E198-K202 WeakPolarHBondContact O-CG 3.17Å; E198-K202 PolarHBondContact O-N 3.33Å; E198-K202 WeakPolarHBondContact OE1-CE 3.42Å; E198-K202 IonicContact OE1-NZ 2.82Å; E198-K202 PolarHBondContact OE1-NZ 3.3Å; E198-K202 IonicContact OE2-NZ 3.6Å
199	D	95	Very high	91.1	Very high	79 Å²	79	107.8 Å²	107.8	42%	0.422	50%	0.498	S	S	.	.	H	α-helix	trans	-63.9	-41.7	174.6	-172.3	57.3	0	0	0	111.6	D195 I197 E201 K202 Q203	D195-D199 PolarHBondContact O-N 3.2Å; I197-D199 PolarHBondContact O-N 3.32Å; D199-E201 PolarHBondContact O-N 3.02Å; D199-K202 PolarHBondContact O-N 3.08Å; D199-Q203 VanDerWaalsContact O-CG 3.28Å; D199-Q203 WeakPolarHBondContact O-CG 3.5Å; D199-Q203 PolarHBondContact O-N 2.98Å; D199-Q203 PolarHBondContact OD2-NE2 3.45Å
200	F	94.1	Very high	89.7	Confident	117 Å²	117	106.6 Å²	106.6	51%	0.513	49%	0.49	S	S	.	.	H	α-helix	trans	-61.9	-42.4	177	-177.9	-110.2	0	0	0	112.5	Y196 I197 Q203 Q204	Y196-F200 VanDerWaalsContact O-CB 3.24Å; Y196-F200 WeakPolarHBondContact O-CB 3.42Å; Y196-F200 PolarHBondContact O-N 3.46Å; I197-F200 PolarHBondContact O-N 3.45Å; F200-Q203 PolarHBondContact O-N 3.33Å; F200-Q204 HydrophobicContact CE1-CG 4.46Å; F200-Q204 HydrophobicContact CZ-CG 4.48Å; F200-Q204 PolarHBondContact O-N 3.3Å
201	E	93.6	Very high	88	Confident	113 Å²	113	106.1 Å²	106.1	53%	0.528	49%	0.493	S	S	.	.	H	α-helix	trans	-62.6	-46.1	174.1	-73.2	-179	168.1	0	0	111.7	I197 E198 D199 Q203 Q204 E205	I197-E201 WeakPolarHBondContact O-CG 3.31Å; I197-E201 PolarHBondContact O-N 2.64Å; E198-E201 PolarHBondContact O-N 3.02Å; D199-E201 PolarHBondContact O-N 3.02Å; E201-Q203 VanDerWaalsContact C-N 3.28Å; E201-Q203 PolarHBondContact O-N 3.46Å; E201-Q204 WeakPolarHBondContact O-CB 3.31Å; E201-Q204 PolarHBondContact O-N 2.87Å; E201-Q204 VanDerWaalsContact O-N 3.08Å; E201-E205 PolarHBondContact O-N 3.3Å
202	K	92.8	Very high	86.4	Confident	87 Å²	87	110.7 Å²	110.7	38%	0.378	51%	0.514	S	S	.	.	H	α-helix	trans	-59.4	-37.4	174.5	-73.9	169.8	-176.2	162.9	0	112.2	E198 D199 K206	E198-K202 HydrophobicContact CG-CD 4.49Å; E198-K202 VanDerWaalsContact O-CG 3.31Å; E198-K202 WeakPolarHBondContact O-CG 3.17Å; E198-K202 PolarHBondContact O-N 3.33Å; E198-K202 WeakPolarHBondContact OE1-CE 3.42Å; E198-K202 IonicContact OE1-NZ 2.82Å; E198-K202 PolarHBondContact OE1-NZ 3.3Å; E198-K202 IonicContact OE2-NZ 3.6Å; D199-K202 PolarHBondContact O-N 3.08Å; K202-K206 WeakPolarHBondContact O-CB 3.47Å; K202-K206 VanDerWaalsContact O-CG 3.3Å; K202-K206 WeakPolarHBondContact O-CG 3.43Å; K202-K206 PolarHBondContact O-N 3.3Å; K202-K206 VanDerWaalsContact O-N 3.07Å
203	Q	89.9	Confident	84.4	Confident	94 Å²	94	111.1 Å²	111.1	44%	0.439	52%	0.517	S	S	.	.	H	α-helix	trans	-67.2	-39.9	174.6	-71.8	-179	24.9	0	0	111.8	D199 F200 E201 N207	D199-Q203 VanDerWaalsContact O-CG 3.28Å; D199-Q203 WeakPolarHBondContact O-CG 3.5Å; D199-Q203 PolarHBondContact O-N 2.98Å; D199-Q203 PolarHBondContact OD2-NE2 3.45Å; F200-Q203 PolarHBondContact O-N 3.33Å; E201-Q203 VanDerWaalsContact C-N 3.28Å; E201-Q203 PolarHBondContact O-N 3.46Å; Q203-N207 WeakPolarHBondContact O-CB 3.4Å; Q203-N207 VanDerWaalsContact O-CG 3.28Å; Q203-N207 PolarHBondContact O-N 2.91Å; Q203-N207 PolarHBondContact O-ND2 3.5Å
204	Q	87.7	Confident	82.4	Confident	83 Å²	83	107.3 Å²	107.3	39%	0.388	52%	0.522	S	S	.	.	H	α-helix	trans	-64	-43.5	174.9	-74.7	-161.3	37.7	0	0	112.6	F200 E201 N207 K208	F200-Q204 HydrophobicContact CE1-CG 4.46Å; F200-Q204 HydrophobicContact CZ-CG 4.48Å; F200-Q204 PolarHBondContact O-N 3.3Å; E201-Q204 WeakPolarHBondContact O-CB 3.31Å; E201-Q204 PolarHBondContact O-N 2.87Å; E201-Q204 VanDerWaalsContact O-N 3.08Å; Q204-N207 PolarHBondContact O-N 2.82Å; Q204-K208 WeakPolarHBondContact O-CG 3.47Å; Q204-K208 PolarHBondContact O-N 2.95Å
205	E	86.5	Confident	80	Confident	126 Å²	126	111.2 Å²	111.2	59%	0.589	54%	0.539	S	S	*	.	H	α-helix	trans	-61.1	-48.7	176	-71.2	-172.3	156.8	0	0	111.3	E201 N207 K208 D209	E201-E205 PolarHBondContact O-N 3.3Å; E205-N207 PolarHBondContact O-N 3.48Å; E205-K208 PolarHBondContact O-N 2.9Å; E205-K208 VanDerWaalsContact O-N 3.11Å; E205-D209 WeakPolarHBondContact O-CB 3.27Å; E205-D209 PolarHBondContact O-N 2.74Å
206	K	85.3	Confident	77.4	Confident	131 Å²	131	109.8 Å²	109.8	57%	0.57	55%	0.548	S	S	*	.	H	α-helix	trans	-57.7	-36.5	175.2	-74.3	173.4	-176.3	171.5	0	112.7	K202 K210	K202-K206 WeakPolarHBondContact O-CB 3.47Å; K202-K206 VanDerWaalsContact O-CG 3.3Å; K202-K206 WeakPolarHBondContact O-CG 3.43Å; K202-K206 PolarHBondContact O-N 3.3Å; K202-K206 VanDerWaalsContact O-N 3.07Å; K206-K210 WeakPolarHBondContact O-CB 3.38Å; K206-K210 VanDerWaalsContact O-CG 3.29Å; K206-K210 WeakPolarHBondContact O-CG 3.28Å; K206-K210 PolarHBondContact O-N 3.39Å
207	N	81	Confident	74.8	Confident	90 Å²	90	110.6 Å²	110.6	48%	0.481	56%	0.558	S	S	.	*	H	α-helix	trans	-74.5	-35.3	177.5	-75.3	-22.6	0	0	0	112.7	Q203 Q204 E205 K211	Q203-N207 WeakPolarHBondContact O-CB 3.4Å; Q203-N207 VanDerWaalsContact O-CG 3.28Å; Q203-N207 PolarHBondContact O-N 2.91Å; Q203-N207 PolarHBondContact O-ND2 3.5Å; Q204-N207 PolarHBondContact O-N 2.82Å; E205-N207 PolarHBondContact O-N 3.48Å; N207-K211 WeakPolarHBondContact O-CG 3.24Å; N207-K211 PolarHBondContact O-N 3.24Å; N207-K211 VanDerWaalsContact O-N 3.14Å
208	K	78.6	Confident	72	Confident	124 Å²	124	114.8 Å²	114.8	54%	0.539	57%	0.574	S	S	.	*	H	α-helix	trans	-65	-45.3	170.8	-74.2	175.3	-177.1	172.5	0	110.7	Q204 E205 K210 K211 L212	Q204-K208 WeakPolarHBondContact O-CG 3.47Å; Q204-K208 PolarHBondContact O-N 2.95Å; E205-K208 PolarHBondContact O-N 2.9Å; E205-K208 VanDerWaalsContact O-N 3.11Å; K208-K210 PolarHBondContact O-N 2.96Å; K208-K211 WeakPolarHBondContact O-CB 3.43Å; K208-K211 PolarHBondContact O-N 3.48Å; K208-K211 VanDerWaalsContact O-N 3.1Å; K208-L212 PolarHBondContact O-N 3Å
209	D	72	Confident	69.5	Low	88 Å²	88	118.7 Å²	118.7	47%	0.471	59%	0.592	S	S	.	*	H	α-helix	trans	-61.8	-42.4	175.9	-73.4	-12.4	0	0	0	111.4	E205 K211 L212 L213	E205-D209 WeakPolarHBondContact O-CB 3.27Å; E205-D209 PolarHBondContact O-N 2.74Å; D209-K211 VanDerWaalsContact C-N 3.28Å; D209-K211 PolarHBondContact O-N 3Å; D209-L212 PolarHBondContact O-N 3.27Å; D209-L213 HydrophobicContact CB-CD1 4.39Å; D209-L213 WeakPolarHBondContact O-CB 3.49Å; D209-L213 WeakPolarHBondContact O-CD1 3.13Å; D209-L213 WeakPolarHBondContact O-CG 3.36Å; D209-L213 PolarHBondContact O-N 2.91Å
210	K	67.4	Low	66.9	Low	151 Å²	151	123.1 Å²	123.1	66%	0.657	61%	0.61	S	S	*	*	H	α-helix	trans	-62	-33.1	174.2	-78.5	176.7	-178.6	179.4	0	113.2	K206 K208 G214	K206-K210 WeakPolarHBondContact O-CB 3.38Å; K206-K210 VanDerWaalsContact O-CG 3.29Å; K206-K210 WeakPolarHBondContact O-CG 3.28Å; K206-K210 PolarHBondContact O-N 3.39Å; K208-K210 PolarHBondContact O-N 2.96Å; K210-G214 PolarHBondContact O-N 3.33Å
211	K	60.4	Low	64.3	Low	175 Å²	175	122.9 Å²	122.9	76%	0.761	62%	0.618	S	S	*	*	H	α-helix	trans	-73.4	-37.3	174	-75.4	-178.2	177.9	-177.7	0	112.3	N207 K208 D209	N207-K211 WeakPolarHBondContact O-CG 3.24Å; N207-K211 PolarHBondContact O-N 3.24Å; N207-K211 VanDerWaalsContact O-N 3.14Å; K208-K211 WeakPolarHBondContact O-CB 3.43Å; K208-K211 PolarHBondContact O-N 3.48Å; K208-K211 VanDerWaalsContact O-N 3.1Å; D209-K211 VanDerWaalsContact C-N 3.28Å; D209-K211 PolarHBondContact O-N 3Å
212	L	59.3	Low	61.7	Low	122 Å²	122	126.9 Å²	126.9	64%	0.639	63%	0.634	S	S	*	*	H	α-helix	trans	-71.6	-34.6	175	-82.1	147.6	0	0	0	112.3	K208 D209 G214 M215	K208-L212 PolarHBondContact O-N 3Å; D209-L212 PolarHBondContact O-N 3.27Å; L212-G214 VanDerWaalsContact C-N 3.26Å; L212-G214 PolarHBondContact O-N 3.31Å; L212-M215 PolarHBondContact O-N 3.23Å
213	L	55.7	Low	59.1	Low	86 Å²	86	128.3 Å²	128.3	45%	0.45	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.6	-9.7	178.9	-70.8	168.9	0	0	0	114	D209 M215 K218	D209-L213 HydrophobicContact CB-CD1 4.39Å; D209-L213 WeakPolarHBondContact O-CB 3.49Å; D209-L213 WeakPolarHBondContact O-CD1 3.13Å; D209-L213 WeakPolarHBondContact O-CG 3.36Å; D209-L213 PolarHBondContact O-N 2.91Å; L213-M215 VanDerWaalsContact C-N 3.26Å; L213-K218 VanDerWaalsContact CD1-CE 3.47Å; L213-K218 HydrophobicContact CD2-CD 3.83Å; L213-K218 HydrophobicContact CD2-CG 3.29Å
214	G	53.2	Low	56.8	Low	66 Å²	66	132.1 Å²	132.1	68%	0.68	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-9.2	168.5	0	0	0	0	0	114	K210 L212	K210-G214 PolarHBondContact O-N 3.33Å; L212-G214 VanDerWaalsContact C-N 3.26Å; L212-G214 PolarHBondContact O-N 3.31Å
215	M	47.4	Very low	54.5	Low	167 Å²	167	137.6 Å²	137.6	82%	0.823	69%	0.69	S	S	*	*	S	Bend	trans	-123.6	84.7	176.6	-69.3	173	77.5	0	0	109.6	L212 L213	L212-M215 PolarHBondContact O-N 3.23Å; L213-M215 VanDerWaalsContact C-N 3.26Å
216	G	38.7	Very low	52.2	Low	69 Å²	69	137.9 Å²	137.9	71%	0.711	70%	0.696	S	S	*	*	S	Bend	trans	66.7	114.3	153.7	0	0	0	0	0	118.9
217	H	41.7	Very low	50	Low	194 Å²	194	138.8 Å²	138.8	90%	0.898	71%	0.705	S	S	*	*			trans	65.1	95.8	159	-82	-46.1	0	0	0	119.7	Q219	H217-Q219 PolarHBondContact O-N 3.09Å
218	K	36.4	Very low	48	Very low	153 Å²	153	140.9 Å²	140.9	67%	0.665	72%	0.715	S	S	*	*			trans	-69.1	108.9	151.8	-77.9	-177.5	170.8	-176.5	0	110.3	L213	L213-K218 VanDerWaalsContact CD1-CE 3.47Å; L213-K218 HydrophobicContact CD2-CD 3.83Å; L213-K218 HydrophobicContact CD2-CG 3.29Å
219	Q	43.8	Very low	46	Very low	177 Å²	177	140.2 Å²	140.2	83%	0.827	73%	0.726	S	S	*	*			trans	-101.5	113.9	149.2	-92	-178.1	-6.5	0	0	108	H217 T221	H217-Q219 PolarHBondContact O-N 3.09Å; Q219-T221 PolarHBondContact O-N 3.34Å
220	E	38.7	Very low	44.5	Very low	173 Å²	173	139 Å²	139	81%	0.808	73%	0.734	S	S	*	*			trans	-74.7	102	170.5	-72.8	-176.8	163.4	0	0	109.4
221	T	39.7	Very low	43.2	Very low	111 Å²	111	140.1 Å²	140.1	68%	0.681	74%	0.741	S	S	*	*			trans	-107.9	101.5	160.4	46.7	0	0	0	0	109.1	Q219 T223	Q219-T221 PolarHBondContact O-N 3.34Å; T221-T223 VanDerWaalsContact C-N 3.33Å; T221-T223 PolarHBondContact O-N 3.21Å
222	K	39.4	Very low	42.6	Very low	197 Å²	197	136.2 Å²	136.2	86%	0.857	73%	0.733	S	S	*	*			trans	-63.2	91.9	163.9	-72.1	178.7	178.2	176	0	108.8
223	T	38.9	Very low	42.3	Very low	117 Å²	117	138.9 Å²	138.9	72%	0.718	74%	0.742	S	S	*	*			trans	-92.9	110.6	162.2	42	0	0	0	0	107.7	T221 K225	T221-T223 VanDerWaalsContact C-N 3.33Å; T221-T223 PolarHBondContact O-N 3.21Å; T223-K225 PolarHBondContact O-N 3.05Å
224	H	41.8	Very low	42.3	Very low	174 Å²	174	138.4 Å²	138.4	81%	0.806	76%	0.757	S	S	*	*			trans	-52.8	105.7	162.2	-88.3	-91.9	0	0	0	107.9	N226	H224-N226 PolarHBondContact O-N 3.46Å
225	K	38.4	Very low	42.7	Very low	198 Å²	198	140.1 Å²	140.1	86%	0.861	75%	0.751	S	S	*	*			trans	-66.6	88.4	158.6	-86.6	-177.7	175.8	176.8	0	106.4	T223 I227	T223-K225 PolarHBondContact O-N 3.05Å; K225-I227 PolarHBondContact O-N 3.46Å; K225-I227 VanDerWaalsContact O-N 3.13Å
226	N	37.8	Very low	43.4	Very low	132 Å²	132	137.1 Å²	137.1	71%	0.706	74%	0.735	S	S	*	*			trans	-55	116.4	153.9	-77.2	-17.9	0	0	0	105.8	H224 I228	H224-N226 PolarHBondContact O-N 3.46Å; N226-I228 VanDerWaalsContact C-N 3.28Å; N226-I228 PolarHBondContact O-N 3.41Å
227	I	38.6	Very low	44.9	Very low	151 Å²	151	140.4 Å²	140.4	77%	0.774	74%	0.735	S	S	*	*			trans	-56.5	99	166.5	-68.3	162.6	0	0	0	105.4	K225 S229	K225-I227 PolarHBondContact O-N 3.46Å; K225-I227 VanDerWaalsContact O-N 3.13Å; I227-S229 PolarHBondContact O-N 3.46Å
228	I	39.3	Very low	46.6	Very low	133 Å²	133	134.3 Å²	134.3	68%	0.682	72%	0.715	S	S	*	*			trans	-73.8	83.2	167.3	-63.4	171.2	0	0	0	105	N226 G230	N226-I228 VanDerWaalsContact C-N 3.28Å; N226-I228 PolarHBondContact O-N 3.41Å; I228-G230 PolarHBondContact O-N 3.22Å
229	S	37.8	Very low	48.6	Very low	111 Å²	111	136.3 Å²	136.3	78%	0.776	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	53.1	168.4	58	0	0	0	0	110.2	I227	I227-S229 PolarHBondContact O-N 3.46Å
230	G	40.1	Very low	50.6	Low	61 Å²	61	134.1 Å²	134.1	63%	0.629	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139	-8.7	-165.2	0	0	0	0	0	118	I228	I228-G230 PolarHBondContact O-N 3.22Å
231	E	39.5	Very low	52.8	Low	175 Å²	175	128.2 Å²	128.2	82%	0.818	69%	0.686	S	S	*	*	S	Bend	trans	-134.3	17.8	-167.9	-73.8	-172.5	157.7	0	0	116.5
232	T	48.6	Very low	55.1	Low	94 Å²	94	129.8 Å²	129.8	58%	0.577	69%	0.686	S	S	*	*			trans	-118.3	13.6	-177	40	0	0	0	0	116.6	G234	T232-G234 VanDerWaalsContact C-N 3.28Å; T232-G234 PolarHBondContact O-N 3.38Å
233	Q	52.6	Low	57.6	Low	178 Å²	178	123.5 Å²	123.5	83%	0.832	67%	0.666	S	S	*	*	H	α-helix	trans	-68.3	-24.5	-179.9	-74.7	-171.7	-9.4	0	0	114
234	G	55.1	Low	60.1	Low	75 Å²	75	123.3 Å²	123.3	77%	0.773	66%	0.659	S	S	*	*	H	α-helix	trans	-76.8	-25.5	-177.9	0	0	0	0	0	115	T232	T232-G234 VanDerWaalsContact C-N 3.28Å; T232-G234 PolarHBondContact O-N 3.38Å
235	D	61.6	Low	62.4	Low	103 Å²	103	118.8 Å²	118.8	55%	0.551	64%	0.637	S	S	*	*	H	α-helix	trans	-106	-1.1	-169.9	-144.4	11.2	0	0	0	113.1	S238	D235-S238 PolarHBondContact O-OG 3.3Å; D235-S238 PolarHBondContact OD1-OG 3.42Å
236	E	62	Low	65	Low	103 Å²	103	114 Å²	114	48%	0.481	62%	0.621	S	S	.	*	H	α-helix	trans	-76.5	-39	174.7	-74.4	-178.4	-177.5	0	0	111.6	S238 R239 F240	E236-S238 VanDerWaalsContact C-N 3.26Å; E236-S238 PolarHBondContact O-N 2.94Å; E236-R239 WeakPolarHBondContact O-CB 3.38Å; E236-R239 PolarHBondContact O-N 3.3Å; E236-F240 VanDerWaalsContact O-CD2 3.27Å; E236-F240 WeakPolarHBondContact O-CD2 3.46Å
237	L	71.4	Confident	67.7	Low	138 Å²	138	111.4 Å²	111.4	72%	0.723	61%	0.609	S	S	*	*	H	α-helix	trans	-63.5	-32.3	177.9	-99	78.6	0	0	0	112.6	R239 F240 A241	L237-R239 PolarHBondContact O-N 3.47Å; L237-F240 PolarHBondContact O-N 2.9Å; L237-F240 VanDerWaalsContact O-N 3.09Å; L237-A241 PolarHBondContact O-N 3.34Å
238	S	76.7	Confident	70.3	Confident	66 Å²	66	107.6 Å²	107.6	46%	0.462	59%	0.588	S	S	.	*	H	α-helix	trans	-61.8	-35.6	178.9	69.5	0	0	0	0	111.2	D235 E236 F240 A241	D235-S238 PolarHBondContact O-OG 3.3Å; D235-S238 PolarHBondContact OD1-OG 3.42Å; E236-S238 VanDerWaalsContact C-N 3.26Å; E236-S238 PolarHBondContact O-N 2.94Å; S238-F240 VanDerWaalsContact C-N 3.31Å; S238-F240 PolarHBondContact O-N 2.91Å; S238-A241 WeakPolarHBondContact O-CB 3.42Å; S238-A241 PolarHBondContact O-N 2.79Å
239	R	78.8	Confident	72.9	Confident	195 Å²	195	104.4 Å²	104.4	74%	0.736	57%	0.567	S	S	*	*	H	α-helix	trans	-66.5	-29.8	175.5	-60.5	-177.9	-176.7	-176.5	0.7	113.1	E236 L237 P243	E236-R239 WeakPolarHBondContact O-CB 3.38Å; E236-R239 PolarHBondContact O-N 3.3Å; L237-R239 PolarHBondContact O-N 3.47Å; R239-P243 WeakPolarHBondContact O-CD 3.45Å
240	F	85.9	Confident	75.7	Confident	132 Å²	132	104.8 Å²	104.8	58%	0.579	56%	0.558	S	S	*	*	H	α-helix	trans	-81.2	-16.2	178	-74.2	-79.1	0	0	0	113.8	E236 L237 S238 Q242 P243 L244	E236-F240 VanDerWaalsContact O-CD2 3.27Å; E236-F240 WeakPolarHBondContact O-CD2 3.46Å; L237-F240 PolarHBondContact O-N 2.9Å; L237-F240 VanDerWaalsContact O-N 3.09Å; S238-F240 VanDerWaalsContact C-N 3.31Å; S238-F240 PolarHBondContact O-N 2.91Å; F240-Q242 VanDerWaalsContact C-N 3.32Å; F240-Q242 PolarHBondContact O-N 3.32Å; F240-P243 WeakPolarHBondContact O-CD 3.34Å; F240-L244 HydrophobicContact CB-CD1 4.19Å; F240-L244 WeakPolarHBondContact O-CB 3.35Å; F240-L244 WeakPolarHBondContact O-CD1 3.44Å; F240-L244 VanDerWaalsContact O-CG 3.23Å; F240-L244 WeakPolarHBondContact O-CG 3.34Å; F240-L244 PolarHBondContact O-N 2.8Å
241	A	85.5	Confident	78.4	Confident	48 Å²	48	106.6 Å²	106.6	40%	0.397	55%	0.552	S	S	.	*	H	α-helix	trans	-59.2	-41.2	-176.6	0	0	0	0	0	112.7	L237 S238 K245	L237-A241 PolarHBondContact O-N 3.34Å; S238-A241 WeakPolarHBondContact O-CB 3.42Å; S238-A241 PolarHBondContact O-N 2.79Å; A241-K245 WeakPolarHBondContact O-CG 3.28Å; A241-K245 PolarHBondContact O-N 2.98Å; A241-K245 VanDerWaalsContact O-N 3.09Å
242	Q	86.4	Confident	81	Confident	145 Å²	145	98.9 Å²	98.9	68%	0.678	52%	0.517	S	S	*	.	H	α-helix	trans	-69.9	-49.3	-179.8	178.8	178.1	9.1	0	0	112.9	F240 L244 K245 I246	F240-Q242 VanDerWaalsContact C-N 3.32Å; F240-Q242 PolarHBondContact O-N 3.32Å; Q242-L244 VanDerWaalsContact C-N 3.31Å; Q242-L244 PolarHBondContact O-N 3.44Å; Q242-K245 PolarHBondContact O-N 3.44Å; Q242-I246 PolarHBondContact O-N 3.04Å
243	P	92.2	Very high	83.1	Confident	65 Å²	65	100.1 Å²	100.1	42%	0.422	52%	0.516	S	S	.	.	H	α-helix	trans	-56.4	-41.3	171.4	-27.7	34.1	0	0	0	113.6	R239 F240 K245 I246 V247	R239-P243 WeakPolarHBondContact O-CD 3.45Å; F240-P243 WeakPolarHBondContact O-CD 3.34Å; P243-K245 PolarHBondContact O-N 3.1Å; P243-I246 WeakPolarHBondContact O-CB 3.49Å; P243-I246 PolarHBondContact O-N 2.89Å; P243-V247 WeakPolarHBondContact O-CG2 3.37Å; P243-V247 PolarHBondContact O-N 3.4Å
244	L	91.5	Very high	85.1	Confident	112 Å²	112	96.9 Å²	96.9	59%	0.586	51%	0.505	S	S	*	.	H	α-helix	trans	-61.2	-42	178.1	-75.5	168.8	0	0	0	112.1	F240 Q242 I246 V247 E248	F240-L244 HydrophobicContact CB-CD1 4.19Å; F240-L244 WeakPolarHBondContact O-CB 3.35Å; F240-L244 WeakPolarHBondContact O-CD1 3.44Å; F240-L244 VanDerWaalsContact O-CG 3.23Å; F240-L244 WeakPolarHBondContact O-CG 3.34Å; F240-L244 PolarHBondContact O-N 2.8Å; Q242-L244 VanDerWaalsContact C-N 3.31Å; Q242-L244 PolarHBondContact O-N 3.44Å; L244-I246 VanDerWaalsContact C-N 3.28Å; L244-I246 PolarHBondContact O-N 2.87Å; L244-V247 PolarHBondContact O-N 2.93Å; L244-E248 WeakPolarHBondContact O-CB 3.36Å; L244-E248 PolarHBondContact O-N 3.19Å
245	K	89.5	Confident	87	Confident	79 Å²	79	97.8 Å²	97.8	34%	0.343	50%	0.495	S	S	.	.	H	α-helix	trans	-59.9	-36.3	172.7	-75.3	-176.3	175.9	-164.5	0	112.7	A241 Q242 P243 R249	A241-K245 WeakPolarHBondContact O-CG 3.28Å; A241-K245 PolarHBondContact O-N 2.98Å; A241-K245 VanDerWaalsContact O-N 3.09Å; Q242-K245 PolarHBondContact O-N 3.44Å; P243-K245 PolarHBondContact O-N 3.1Å; K245-R249 WeakPolarHBondContact O-CG 3.17Å; K245-R249 PolarHBondContact O-N 2.98Å; K245-R249 VanDerWaalsContact O-N 3.12Å
246	I	93	Very high	88.6	Confident	99 Å²	99	95 Å²	95	51%	0.508	48%	0.479	S	S	.	.	H	α-helix	trans	-69.2	-43	176.9	-63.7	169.4	0	0	0	110.4	Q242 P243 L244 E248 R249 M250	Q242-I246 PolarHBondContact O-N 3.04Å; P243-I246 WeakPolarHBondContact O-CB 3.49Å; P243-I246 PolarHBondContact O-N 2.89Å; L244-I246 VanDerWaalsContact C-N 3.28Å; L244-I246 PolarHBondContact O-N 2.87Å; I246-E248 VanDerWaalsContact C-N 3.34Å; I246-E248 PolarHBondContact O-N 3.32Å; I246-R249 WeakPolarHBondContact O-CB 3.31Å; I246-R249 PolarHBondContact O-N 3.38Å; I246-M250 PolarHBondContact O-N 2.95Å
247	V	94.9	Very high	90.1	Very high	76 Å²	76	93.7 Å²	93.7	46%	0.461	48%	0.475	S	S	.	.	H	α-helix	trans	-62.5	-41.4	175.6	174.7	0	0	0	0	111	P243 L244 R249 M250 I251	P243-V247 WeakPolarHBondContact O-CG2 3.37Å; P243-V247 PolarHBondContact O-N 3.4Å; L244-V247 PolarHBondContact O-N 2.93Å; V247-R249 PolarHBondContact O-N 2.84Å; V247-M250 WeakPolarHBondContact O-CB 3.4Å; V247-M250 PolarHBondContact O-N 2.79Å; V247-M250 VanDerWaalsContact O-N 3.16Å; V247-I251 HydrophobicContact CG1-CD1 3.93Å; V247-I251 HydrophobicContact CG1-CG1 4.44Å; V247-I251 WeakPolarHBondContact O-CG1 3.15Å; V247-I251 PolarHBondContact O-N 3.31Å
248	E	93.8	Very high	91.3	Very high	72 Å²	72	94.6 Å²	94.6	34%	0.336	48%	0.476	S	S	.	.	H	α-helix	trans	-59.2	-44.1	175.2	-173.2	-171.9	172.2	0	0	112.1	L244 I246 I251 N252 N333	L244-E248 WeakPolarHBondContact O-CB 3.36Å; L244-E248 PolarHBondContact O-N 3.19Å; I246-E248 VanDerWaalsContact C-N 3.34Å; I246-E248 PolarHBondContact O-N 3.32Å; E248-I251 PolarHBondContact O-N 2.84Å; E248-N252 PolarHBondContact O-N 3.45Å; E248-N252 PolarHBondContact O-ND2 3.36Å; E248-N333 PolarHBondContact OE1-ND2 3.25Å
249	R	94.8	Very high	92.2	Very high	65 Å²	65	93.8 Å²	93.8	25%	0.245	47%	0.465	C	S	.	.	H	α-helix	trans	-61.6	-42.4	173.6	-72.8	169.1	173.2	166.4	-1.6	111.9	K245 I246 V247 I251 N252 Q253 K332 N333 E338	K245-R249 WeakPolarHBondContact O-CG 3.17Å; K245-R249 PolarHBondContact O-N 2.98Å; K245-R249 VanDerWaalsContact O-N 3.12Å; I246-R249 WeakPolarHBondContact O-CB 3.31Å; I246-R249 PolarHBondContact O-N 3.38Å; V247-R249 PolarHBondContact O-N 2.84Å; R249-I251 VanDerWaalsContact C-N 3.34Å; R249-I251 PolarHBondContact O-N 2.84Å; R249-N252 PolarHBondContact O-N 3.18Å; R249-Q253 WeakPolarHBondContact O-CB 3.49Å; R249-Q253 PolarHBondContact O-N 2.87Å; R249-K332 HydrophobicContact CG-CB 4.14Å; R249-N333 HydrophobicContact CG-CB 4.27Å; R249-E338 IonicContact CZ-OE2 3.32Å; R249-E338 IonicContact NH2-OE1 3.84Å; R249-E338 PolarHBondContact NH2-OE1 3.04Å; R249-E338 IonicContact NH2-OE2 3.9Å; R249-E338 PolarHBondContact NH2-OE2 3.02Å
250	M	95.5	Very high	93	Very high	119 Å²	119	85.9 Å²	85.9	59%	0.586	44%	0.442	S	S	*	.	H	α-helix	trans	-62.5	-40.7	177.7	-174.6	179.1	178	0	0	111.8	I246 V247 N254	I246-M250 PolarHBondContact O-N 2.95Å; V247-M250 WeakPolarHBondContact O-CB 3.4Å; V247-M250 PolarHBondContact O-N 2.79Å; V247-M250 VanDerWaalsContact O-N 3.16Å; M250-N254 PolarHBondContact O-N 2.75Å; M250-N254 VanDerWaalsContact O-N 3.15Å; M250-N254 PolarHBondContact O-ND2 2.93Å
251	I	96.2	Very high	93.5	Very high	99 Å²	99	84.2 Å²	84.2	51%	0.508	44%	0.436	S	S	.	.	H	α-helix	trans	-65.2	-45.3	175.4	-66.4	165.7	0	0	0	110.7	V247 E248 R249 Q253 N254 T255	V247-I251 HydrophobicContact CG1-CD1 3.93Å; V247-I251 HydrophobicContact CG1-CG1 4.44Å; V247-I251 WeakPolarHBondContact O-CG1 3.15Å; V247-I251 PolarHBondContact O-N 3.31Å; E248-I251 PolarHBondContact O-N 2.84Å; R249-I251 VanDerWaalsContact C-N 3.34Å; R249-I251 PolarHBondContact O-N 2.84Å; I251-Q253 PolarHBondContact O-N 3.25Å; I251-N254 PolarHBondContact O-N 2.79Å; I251-T255 PolarHBondContact O-N 3.3Å; I251-T255 PolarHBondContact O-OG1 2.92Å
252	N	94.3	Very high	94	Very high	13 Å²	13	84.7 Å²	84.7	7%	0.07	43%	0.432	C	S	.	.	H	α-helix	trans	-63.9	-40.1	178	-84.9	-79.4	0	0	0	112.4	E248 R249 N254 T255 H256 N333 S335	E248-N252 PolarHBondContact O-N 3.45Å; E248-N252 PolarHBondContact O-ND2 3.36Å; R249-N252 PolarHBondContact O-N 3.18Å; N252-N254 VanDerWaalsContact C-N 3.33Å; N252-N254 PolarHBondContact O-N 3.26Å; N252-T255 PolarHBondContact O-N 3.3Å; N252-H256 PolarHBondContact O-CD2 2.98Å; N252-H256 VanDerWaalsContact O-CD2 3.31Å; N252-H256 PolarHBondContact O-N 3.28Å; N252-N333 PolarHBondContact ND2-OD1 2.88Å; N252-N333 PolarHBondContact OD1-OD1 3.13Å; N252-S335 VanDerWaalsContact OD1-CB 3.24Å; N252-S335 WeakPolarHBondContact OD1-CB 3.38Å; N252-S335 PolarHBondContact OD1-OG 3.19Å
253	Q	93.6	Very high	94.4	Very high	121 Å²	121	79.3 Å²	79.3	57%	0.565	41%	0.407	S	S	*	.	H	α-helix	trans	-58.4	-46.1	174.5	-177.7	-179.3	2	0	0	111.1	R249 I251 T255 H256 D257	R249-Q253 WeakPolarHBondContact O-CB 3.49Å; R249-Q253 PolarHBondContact O-N 2.87Å; I251-Q253 PolarHBondContact O-N 3.25Å; Q253-T255 VanDerWaalsContact C-N 3.3Å; Q253-T255 PolarHBondContact O-N 2.99Å; Q253-H256 CarbonylContact O-C 3.59Å; Q253-H256 PolarHBondContact O-N 3.06Å; Q253-D257 WeakPolarHBondContact O-CA 3.3Å; Q253-D257 PolarHBondContact O-N 2.85Å; Q253-D257 VanDerWaalsContact O-N 3.09Å
254	N	95	Very high	94.5	Very high	110 Å²	110	81.6 Å²	81.6	59%	0.588	41%	0.41	S	S	*	.	H	α-helix	trans	-67.8	-30	177.5	-68.8	-16.6	0	0	0	112.8	M250 I251 N252	M250-N254 PolarHBondContact O-N 2.75Å; M250-N254 VanDerWaalsContact O-N 3.15Å; M250-N254 PolarHBondContact O-ND2 2.93Å; I251-N254 PolarHBondContact O-N 2.79Å; N252-N254 VanDerWaalsContact C-N 3.33Å; N252-N254 PolarHBondContact O-N 3.26Å
255	T	95.4	Very high	94.6	Very high	94 Å²	94	85.1 Å²	85.1	58%	0.577	42%	0.416	S	S	*	.	H	α-helix	trans	-73.2	-32.9	177.9	-55.3	0	0	0	0	111.8	I251 N252 Q253	I251-T255 PolarHBondContact O-N 3.3Å; I251-T255 PolarHBondContact O-OG1 2.92Å; N252-T255 PolarHBondContact O-N 3.3Å; Q253-T255 VanDerWaalsContact C-N 3.3Å; Q253-T255 PolarHBondContact O-N 2.99Å
256	H	93.4	Very high	94.9	Very high	45 Å²	45	85.5 Å²	85.5	21%	0.208	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	31.9	-176.9	-58.8	-63.4	0	0	0	112.9	N252 Q253 E258 I259 A260	N252-H256 PolarHBondContact O-CD2 2.98Å; N252-H256 VanDerWaalsContact O-CD2 3.31Å; N252-H256 PolarHBondContact O-N 3.28Å; Q253-H256 CarbonylContact O-C 3.59Å; Q253-H256 PolarHBondContact O-N 3.06Å; H256-E258 PolarHBondContact O-N 3.29Å; H256-I259 PolarHBondContact O-N 3.08Å; H256-A260 WeakPolarHBondContact O-CB 3.31Å; H256-A260 PolarHBondContact O-N 3.48Å
257	D	94.7	Very high	94.9	Very high	75 Å²	75	85.3 Å²	85.3	40%	0.401	41%	0.413	S	S	.	.	H	α-helix	trans	-59	-47.2	-174.5	-179.3	44.2	0	0	0	112.1	Q253 I259 A260 Q261	Q253-D257 WeakPolarHBondContact O-CA 3.3Å; Q253-D257 PolarHBondContact O-N 2.85Å; Q253-D257 VanDerWaalsContact O-N 3.09Å; D257-I259 PolarHBondContact O-N 3.22Å; D257-A260 PolarHBondContact O-N 3.11Å; D257-A260 VanDerWaalsContact O-N 3.14Å; D257-Q261 WeakPolarHBondContact O-CG 3.43Å; D257-Q261 PolarHBondContact O-N 3.43Å; D257-Q261 PolarHBondContact OD1-NE2 3.02Å; D257-Q261 PolarHBondContact OD2-NE2 2.76Å
258	E	96.4	Very high	94.8	Very high	157 Å²	157	82.6 Å²	82.6	73%	0.734	40%	0.396	S	S	*	.	H	α-helix	trans	-56.8	-47.3	177.3	-63.5	-177.3	171.5	0	0	111.9	H256 A260 Q261 D262	H256-E258 PolarHBondContact O-N 3.29Å; E258-A260 VanDerWaalsContact C-N 3.32Å; E258-A260 PolarHBondContact O-N 3.16Å; E258-Q261 PolarHBondContact O-N 2.78Å; E258-D262 WeakPolarHBondContact O-CB 3.07Å; E258-D262 PolarHBondContact O-N 3.41Å
259	I	96.1	Very high	94.7	Very high	48 Å²	48	83 Å²	83	25%	0.246	41%	0.405	C	S	.	.	H	α-helix	trans	-64.7	-38.3	179.2	-56.8	176.2	0	0	0	110.9	H256 D257 D262 F263 L283 W284	H256-I259 PolarHBondContact O-N 3.08Å; D257-I259 PolarHBondContact O-N 3.22Å; I259-D262 PolarHBondContact O-N 3.05Å; I259-F263 VanDerWaalsContact O-CB 3.31Å; I259-F263 WeakPolarHBondContact O-CB 3.46Å; I259-F263 PolarHBondContact O-N 3.48Å; I259-L283 HydrophobicContact CG2-CB 3.77Å; I259-L283 HydrophobicContact CG2-CD2 3.99Å; I259-L283 HydrophobicContact CG2-CG 4.47Å; I259-W284 HydrophobicContact CG2-CD2 3.77Å; I259-W284 VanDerWaalsContact CG2-CE2 3.49Å; I259-W284 HydrophobicContact CG2-CE3 4.41Å; I259-W284 HydrophobicContact CG2-CG 4.01Å; I259-W284 HydrophobicContact CG2-CZ2 3.95Å
260	A	94.6	Very high	94.5	Very high	30 Å²	30	82.1 Å²	82.1	25%	0.248	41%	0.409	C	S	.	.	H	α-helix	trans	-68.4	-38.2	177.8	0	0	0	0	0	112.3	H256 D257 E258 K264 W284	H256-A260 WeakPolarHBondContact O-CB 3.31Å; H256-A260 PolarHBondContact O-N 3.48Å; D257-A260 PolarHBondContact O-N 3.11Å; D257-A260 VanDerWaalsContact O-N 3.14Å; E258-A260 VanDerWaalsContact C-N 3.32Å; E258-A260 PolarHBondContact O-N 3.16Å; A260-K264 PolarHBondContact O-N 2.66Å; A260-W284 HydrophobicContact CB-CZ2 4.12Å
261	Q	95.9	Very high	94.2	Very high	97 Å²	97	76.6 Å²	76.6	45%	0.453	38%	0.382	S	S	.	.	H	α-helix	trans	-64.2	-45.3	172.4	-69.7	178.1	25.3	0	0	110.6	D257 E258 F263 K264 Y265	D257-Q261 WeakPolarHBondContact O-CG 3.43Å; D257-Q261 PolarHBondContact O-N 3.43Å; D257-Q261 PolarHBondContact OD1-NE2 3.02Å; D257-Q261 PolarHBondContact OD2-NE2 2.76Å; E258-Q261 PolarHBondContact O-N 2.78Å; Q261-F263 PolarHBondContact O-N 2.75Å; Q261-K264 PolarHBondContact O-N 3.26Å; Q261-Y265 WeakPolarHBondContact O-CB 3.41Å; Q261-Y265 PolarHBondContact O-N 3.25Å
262	D	96.6	Very high	93.8	Very high	58 Å²	58	79.8 Å²	79.8	31%	0.31	39%	0.394	S	S	.	.	H	α-helix	trans	-64.2	-41.6	178.5	-78.4	-8.2	0	0	0	112.3	E258 I259 K264 Y266 L281 L283 K619	E258-D262 WeakPolarHBondContact O-CB 3.07Å; E258-D262 PolarHBondContact O-N 3.41Å; I259-D262 PolarHBondContact O-N 3.05Å; D262-K264 VanDerWaalsContact C-N 3.28Å; D262-K264 PolarHBondContact O-N 3.4Å; D262-Y266 WeakPolarHBondContact O-CB 3.4Å; D262-Y266 PolarHBondContact O-N 3.29Å; D262-Y266 WeakPolarHBondContact OD1-CB 3.42Å; D262-L281 HydrophobicContact CB-CD2 4.17Å; D262-L283 HydrophobicContact CB-CD2 4.27Å; D262-K619 WeakPolarHBondContact O-CD 3.48Å; D262-K619 PolarHBondContact O-NZ 3.43Å
263	F	95.5	Very high	93.6	Very high	32 Å²	32	87.1 Å²	87.1	14%	0.14	43%	0.426	C	S	.	.	H	α-helix	trans	-52	-46.8	174.6	162.4	-111.3	0	0	0	111.8	I259 Q261 L283 W284 L331 Y603 I605 K619	I259-F263 VanDerWaalsContact O-CB 3.31Å; I259-F263 WeakPolarHBondContact O-CB 3.46Å; I259-F263 PolarHBondContact O-N 3.48Å; Q261-F263 PolarHBondContact O-N 2.75Å; F263-L283 HydrophobicContact CB-CD1 3.97Å; F263-L283 HydrophobicContact CB-CD2 4.45Å; F263-L283 HydrophobicContact CD2-CD1 3.9Å; F263-L283 HydrophobicContact CG-CD1 4.41Å; F263-W284 HydrophobicContact CB-CH2 3.42Å; F263-W284 VanDerWaalsContact CB-CH2 3.42Å; F263-W284 HydrophobicContact CB-CZ2 4.33Å; F263-W284 HydrophobicContact CB-CZ3 3.86Å; F263-W284 AromaticContact CD1-CH2 3.8Å; F263-W284 HydrophobicContact CD1-CH2 3.8Å; F263-W284 HydrophobicContact CD1-CZ3 4.37Å; F263-W284 HydrophobicContact CD2-CH2 4.06Å; F263-W284 AromaticContact CD2-CZ3 3.84Å; F263-W284 HydrophobicContact CD2-CZ3 3.84Å; F263-W284 HydrophobicContact CE2-CZ3 4.48Å; F263-W284 AromaticContact CG-CH2 3.49Å; F263-W284 HydrophobicContact CG-CH2 3.49Å; F263-W284 VanDerWaalsContact CG-CH2 3.49Å; F263-W284 AromaticContact CG-CZ3 3.76Å; F263-W284 HydrophobicContact CG-CZ3 3.76Å; F263-L331 HydrophobicContact CE2-CD1 4.32Å; F263-L331 HydrophobicContact CZ-CD1 4.07Å; F263-Y603 HydrophobicContact CE2-CD1 4.45Å; F263-Y603 HydrophobicContact CE2-CD2 4.24Å; F263-Y603 AromaticContact CE2-CG 3.94Å; F263-Y603 HydrophobicContact CE2-CG 3.94Å; F263-Y603 AromaticContact CZ-CD1 3.85Å; F263-Y603 HydrophobicContact CZ-CD1 3.85Å; F263-Y603 AromaticContact CZ-CD2 3.62Å; F263-Y603 HydrophobicContact CZ-CD2 3.62Å; F263-Y603 HydrophobicContact CZ-CE1 4.21Å; F263-Y603 AromaticContact CZ-CE2 3.97Å; F263-Y603 HydrophobicContact CZ-CE2 3.97Å; F263-Y603 AromaticContact CZ-CG 3.54Å; F263-Y603 HydrophobicContact CZ-CG 3.54Å; F263-I605 HydrophobicContact CD2-CG2 3.71Å; F263-I605 HydrophobicContact CE2-CD1 3.93Å; F263-I605 HydrophobicContact CE2-CG1 4.43Å; F263-I605 HydrophobicContact CE2-CG2 3.72Å; F263-K619 PolarHBondContact O-NZ 3.41Å
264	K	93.2	Very high	93.2	Very high	113 Å²	113	85.6 Å²	85.6	49%	0.491	42%	0.415	S	S	.	.	H	α-helix	trans	-92.8	-37.6	-173	-173	58	179.6	172.7	0	114.6	A260 Q261 D262	A260-K264 PolarHBondContact O-N 2.66Å; Q261-K264 PolarHBondContact O-N 3.26Å; D262-K264 VanDerWaalsContact C-N 3.28Å; D262-K264 PolarHBondContact O-N 3.4Å
265	Y	95	Very high	92.6	Very high	185 Å²	185	87.6 Å²	87.6	73%	0.725	43%	0.426	S	S	*	.	H	α-helix	trans	-118.9	-19.6	-164.2	-57.5	-66.9	0	0	0	114.8	Q261	Q261-Y265 WeakPolarHBondContact O-CB 3.41Å; Q261-Y265 PolarHBondContact O-N 3.25Å
266	Y	94.8	Very high	92.1	Very high	87 Å²	87	86.7 Å²	86.7	34%	0.341	42%	0.417	S	S	.	.			trans	-77.1	133	-179.9	179.4	-95.5	0	0	0	112.3	D262 D268 L281 K619	D262-Y266 WeakPolarHBondContact O-CB 3.4Å; D262-Y266 PolarHBondContact O-N 3.29Å; D262-Y266 WeakPolarHBondContact OD1-CB 3.42Å; Y266-D268 HydrophobicContact CE1-CB 4.17Å; Y266-L281 HydrophobicContact CD1-CD2 3.63Å; Y266-L281 HydrophobicContact CE1-CD2 3.92Å; Y266-L281 HydrophobicContact CG-CD2 4.49Å; Y266-K619 WeakPolarHBondContact O-CE 3.28Å; Y266-K619 PolarHBondContact O-NZ 2.77Å
267	E	93	Very high	92	Very high	95 Å²	95	90.5 Å²	90.5	44%	0.444	44%	0.436	S	S	.	.			trans	-129.1	126.5	172.8	-63.5	-69.9	131.2	0	0	106.6	P269 P622 R625	E267-P269 WeakPolarHBondContact O-CD 3.19Å; E267-P269 VanDerWaalsContact O-N 3.13Å; E267-P622 HydrophobicContact CB-CG 4.3Å; E267-P622 WeakPolarHBondContact OE2-CG 3.48Å; E267-R625 IonicContact OE1-CZ 2.73Å; E267-R625 IonicContact OE1-NH2 3.86Å; E267-R625 PolarHBondContact OE1-NH2 2.87Å; E267-R625 IonicContact OE2-CZ 3.88Å; E267-R625 IonicContact OE2-NE 3.13Å; E267-R625 IonicContact OE2-NH2 2.88Å; E267-R625 PolarHBondContact OE2-NH2 3.36Å
268	D	92.4	Very high	91.9	Very high	19 Å²	19	87.3 Å²	87.3	10%	0.102	42%	0.42	C	S	.	.			trans	-67	109.5	-176.3	-174.3	-6.3	0	0	0	109.9	Y266 S270 D271 R274 T279	Y266-D268 HydrophobicContact CE1-CB 4.17Å; D268-S270 PolarHBondContact O-N 2.87Å; D268-S270 WeakPolarHBondContact OD1-CA 3.44Å; D268-S270 WeakPolarHBondContact OD1-CB 3.35Å; D268-S270 PolarHBondContact OD1-N 2.86Å; D268-S270 PolarHBondContact OD1-OG 2.83Å; D268-D271 WeakPolarHBondContact O-CB 3.42Å; D268-D271 PolarHBondContact O-N 2.99Å; D268-R274 IonicContact OD2-CZ 3.81Å; D268-R274 IonicContact OD2-NH1 3.41Å; D268-R274 PolarHBondContact OD2-NH1 3.09Å; D268-T279 PolarHBondContact OD2-OG1 2.86Å; D268-T279 VanDerWaalsContact OD2-OG1 3.11Å
269	P	92.2	Very high	91.8	Very high	81 Å²	81	81.5 Å²	81.5	53%	0.526	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-69.9	-18.9	179.7	30.7	-35.2	0	0	0	112	E267 D271 E272	E267-P269 WeakPolarHBondContact O-CD 3.19Å; E267-P269 VanDerWaalsContact O-N 3.13Å; P269-D271 PolarHBondContact O-N 2.87Å; P269-E272 PolarHBondContact O-N 3.29Å
270	S	91.8	Very high	91.8	Very high	46 Å²	46	79.3 Å²	79.3	32%	0.322	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-67.7	-22.6	-179.8	-40.2	0	0	0	0	112.1	D268 E272 F273 R274	D268-S270 PolarHBondContact O-N 2.87Å; D268-S270 WeakPolarHBondContact OD1-CA 3.44Å; D268-S270 WeakPolarHBondContact OD1-CB 3.35Å; D268-S270 PolarHBondContact OD1-N 2.86Å; D268-S270 PolarHBondContact OD1-OG 2.83Å; S270-E272 PolarHBondContact O-N 3.23Å; S270-F273 PolarHBondContact O-N 3.37Å; S270-R274 PolarHBondContact O-N 3.17Å
271	D	88.8	Confident	91.9	Very high	3 Å²	3	80.3 Å²	80.3	2%	0.016	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-62.6	-21.4	178.4	-93.6	21.8	0	0	0	113.2	D268 P269 F273 R274 S621 P622 N623	D268-D271 WeakPolarHBondContact O-CB 3.42Å; D268-D271 PolarHBondContact O-N 2.99Å; P269-D271 PolarHBondContact O-N 2.87Å; D271-F273 PolarHBondContact O-N 2.89Å; D271-R274 IonicContact OD1-NH1 2.7Å; D271-R274 PolarHBondContact OD1-NH1 3.44Å; D271-S621 PolarHBondContact OD1-OG 3.35Å; D271-S621 WeakPolarHBondContact OD2-CB 3.01Å; D271-S621 PolarHBondContact OD2-OG 3.26Å; D271-P622 HydrophobicContact CB-CG 4.48Å; D271-P622 VanDerWaalsContact OD2-CD 3.28Å; D271-P622 WeakPolarHBondContact OD2-CD 3.31Å; D271-N623 HydrophobicContact CB-CB 4.45Å; D271-N623 WeakPolarHBondContact CB-ND2 3.47Å; D271-N623 VanDerWaalsContact CG-CG 3.49Å; D271-N623 PolarHBondContact O-ND2 2.56Å; D271-N623 PolarHBondContact O-OD1 2.99Å; D271-N623 WeakPolarHBondContact OD2-CB 3.42Å; D271-N623 PolarHBondContact OD2-N 2.8Å
272	E	87.1	Confident	91.9	Very high	166 Å²	166	79.7 Å²	79.7	78%	0.776	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-67.7	-25.5	172.9	-63.5	-167.7	160.2	0	0	112.6	P269 S270	P269-E272 PolarHBondContact O-N 3.29Å; S270-E272 PolarHBondContact O-N 3.23Å
273	F	90.3	Very high	91.9	Very high	168 Å²	168	77.7 Å²	77.7	74%	0.737	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-11.1	-176.5	-53.7	-79.3	0	0	0	113.5	S270 D271	S270-F273 PolarHBondContact O-N 3.37Å; D271-F273 PolarHBondContact O-N 2.89Å
274	R	84.9	Confident	91.9	Very high	88 Å²	88	76.8 Å²	76.8	33%	0.332	37%	0.374	S	S	.	.	S	Bend	trans	-92.7	115.5	175	-67.2	176.2	-177.3	144.4	1.8	108	D268 S270 D271 N276 Q277 T279 N623	D268-R274 IonicContact OD2-CZ 3.81Å; D268-R274 IonicContact OD2-NH1 3.41Å; D268-R274 PolarHBondContact OD2-NH1 3.09Å; S270-R274 PolarHBondContact O-N 3.17Å; D271-R274 IonicContact OD1-NH1 2.7Å; D271-R274 PolarHBondContact OD1-NH1 3.44Å; R274-N276 PolarHBondContact O-N 3.41Å; R274-Q277 HydrophobicContact CB-CB 4.3Å; R274-Q277 WeakPolarHBondContact CB-O 3.21Å; R274-T279 PolarHBondContact NH1-OG1 2.93Å; R274-N623 PolarHBondContact O-ND2 3.38Å
275	D	82.7	Confident	91.9	Very high	152 Å²	152	74.1 Å²	74.1	81%	0.813	37%	0.37	S	S	*	.	S	Bend	trans	-55.5	70.7	-176	-67.9	-45.3	0	0	0	113.9	Q277	D275-Q277 PolarHBondContact O-N 3.21Å
276	N	84.8	Confident	92	Very high	75 Å²	75	65.3 Å²	65.3	40%	0.401	34%	0.335	S	S	.	.	S	Bend	trans	61.8	3.2	-170.6	-49.9	-55.2	0	0	0	116.9	R274 I575	R274-N276 PolarHBondContact O-N 3.41Å; N276-I575 HydrophobicContact CB-CG2 3.61Å
277	Q	90.7	Very high	91.9	Very high	126 Å²	126	64 Å²	64	59%	0.589	34%	0.339	S	S	*	.			trans	-73.1	138.8	171.3	-65.5	-177.7	-2.9	0	0	110.4	R274 D275 L581 N623	R274-Q277 HydrophobicContact CB-CB 4.3Å; R274-Q277 WeakPolarHBondContact CB-O 3.21Å; D275-Q277 PolarHBondContact O-N 3.21Å; Q277-L581 WeakPolarHBondContact CA-O 3.18Å; Q277-N623 PolarHBondContact O-ND2 3.01Å
278	G	92.4	Very high	91.9	Very high	7 Å²	7	60.4 Å²	60.4	7%	0.072	32%	0.322	C	S	.	.			trans	-117.5	172.6	179.2	0	0	0	0	0	113.1	L581 C582 S621	G278-L581 PolarHBondContact N-O 2.85Å; G278-C582 WeakPolarHBondContact O-CB 3.05Å; G278-C582 PolarHBondContact O-SG 3.46Å; G278-S621 WeakPolarHBondContact CA-OG 3.5Å
279	T	95.3	Very high	92	Very high	35 Å²	35	67.8 Å²	67.8	22%	0.215	36%	0.355	C	S	.	.			trans	-129.9	161.9	-180	51.3	0	0	0	0	111.2	D268 R274 S621 L624	D268-T279 PolarHBondContact OD2-OG1 2.86Å; D268-T279 VanDerWaalsContact OD2-OG1 3.11Å; R274-T279 PolarHBondContact NH1-OG1 2.93Å; T279-S621 PolarHBondContact N-OG 2.95Å; T279-S621 VanDerWaalsContact O-CB 3.24Å; T279-S621 WeakPolarHBondContact O-CB 3.37Å; T279-S621 PolarHBondContact O-N 3.07Å; T279-S621 PolarHBondContact O-OG 3.15Å; T279-S621 WeakPolarHBondContact OG1-CB 3.19Å; T279-L624 WeakPolarHBondContact O-CD1 3.13Å
280	L	96.5	Very high	92.1	Very high	3 Å²	3	69 Å²	69	2%	0.016	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	114.1	172.9	-60.1	175.7	0	0	0	108.2	P282 V568 V570 Q584 I586 I606 L618 K619 L620 L624	L280-P282 WeakPolarHBondContact O-CD 3.48Å; L280-V568 HydrophobicContact CD1-CB 3.69Å; L280-V568 HydrophobicContact CD1-CG1 3.58Å; L280-V568 HydrophobicContact CD1-CG2 4.43Å; L280-V570 HydrophobicContact CD1-CG2 4.41Å; L280-V570 HydrophobicContact CD2-CG2 4.22Å; L280-Q584 HydrophobicContact CD1-CB 4.42Å; L280-Q584 PolarHBondContact O-NE2 2.88Å; L280-Q584 PolarHBondContact O-OE1 2.83Å; L280-I586 HydrophobicContact CB-CD1 4.43Å; L280-I586 HydrophobicContact CD1-CD1 4.24Å; L280-I606 HydrophobicContact CD1-CD1 4.28Å; L280-I606 HydrophobicContact CD2-CD1 4.12Å; L280-L618 HydrophobicContact CB-CB 4.32Å; L280-L618 HydrophobicContact CD1-CD1 4.1Å; L280-K619 WeakPolarHBondContact CA-O 3.23Å; L280-L620 HydrophobicContact CD2-CD2 3.59Å; L280-L624 HydrophobicContact CD2-CD1 3.81Å
281	L	96.3	Very high	92.1	Very high	51 Å²	51	66.8 Å²	66.8	27%	0.267	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	117.4	174.1	174.9	68.3	0	0	0	109.1	D262 Y266 L283 L618 K619	D262-L281 HydrophobicContact CB-CD2 4.17Å; Y266-L281 HydrophobicContact CD1-CD2 3.63Å; Y266-L281 HydrophobicContact CE1-CD2 3.92Å; Y266-L281 HydrophobicContact CG-CD2 4.49Å; L281-L283 HydrophobicContact CD2-CD2 4.19Å; L281-L283 HydrophobicContact CG-CD2 4.42Å; L281-L283 PolarHBondContact O-N 2.8Å; L281-L618 CarbonylContact O-C 3.5Å; L281-L618 WeakPolarHBondContact O-CA 3.11Å; L281-K619 HydrophobicContact CB-CB 4.24Å; L281-K619 PolarHBondContact N-O 2.79Å; L281-K619 PolarHBondContact O-N 3.48Å
282	P	95.9	Very high	92.2	Very high	83 Å²	83	75.7 Å²	75.7	54%	0.539	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	131.4	173.4	-18.3	33.1	0	0	0	111	L280 L618	L280-P282 WeakPolarHBondContact O-CD 3.48Å; P282-L618 HydrophobicContact CB-CD2 4.14Å; P282-L618 HydrophobicContact CG-CD2 4.41Å
283	L	95.8	Very high	92.2	Very high	17 Å²	17	75.3 Å²	75.3	9%	0.089	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-112.7	176.6	-62.9	178.8	0	0	0	109.6	I259 D262 F263 L281 I605 S617 K619	I259-L283 HydrophobicContact CG2-CB 3.77Å; I259-L283 HydrophobicContact CG2-CD2 3.99Å; I259-L283 HydrophobicContact CG2-CG 4.47Å; D262-L283 HydrophobicContact CB-CD2 4.27Å; F263-L283 HydrophobicContact CB-CD1 3.97Å; F263-L283 HydrophobicContact CB-CD2 4.45Å; F263-L283 HydrophobicContact CD2-CD1 3.9Å; F263-L283 HydrophobicContact CG-CD1 4.41Å; L281-L283 HydrophobicContact CD2-CD2 4.19Å; L281-L283 HydrophobicContact CG-CD2 4.42Å; L281-L283 PolarHBondContact O-N 2.8Å; L283-I605 HydrophobicContact CD1-CG2 3.84Å; L283-S617 PolarHBondContact N-O 3.4Å; L283-K619 HydrophobicContact CD1-CB 3.85Å; L283-K619 HydrophobicContact CD2-CB 4.34Å; L283-K619 HydrophobicContact CG-CB 4.05Å
284	W	95.6	Very high	92.4	Very high	13 Å²	13	68.7 Å²	68.7	5%	0.049	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	145.8	-179.9	-59	-76.3	0	0	0	112.8	I259 A260 F263 F286 L331 P334 S617	I259-W284 HydrophobicContact CG2-CD2 3.77Å; I259-W284 VanDerWaalsContact CG2-CE2 3.49Å; I259-W284 HydrophobicContact CG2-CE3 4.41Å; I259-W284 HydrophobicContact CG2-CG 4.01Å; I259-W284 HydrophobicContact CG2-CZ2 3.95Å; A260-W284 HydrophobicContact CB-CZ2 4.12Å; F263-W284 HydrophobicContact CB-CH2 3.42Å; F263-W284 VanDerWaalsContact CB-CH2 3.42Å; F263-W284 HydrophobicContact CB-CZ2 4.33Å; F263-W284 HydrophobicContact CB-CZ3 3.86Å; F263-W284 AromaticContact CD1-CH2 3.8Å; F263-W284 HydrophobicContact CD1-CH2 3.8Å; F263-W284 HydrophobicContact CD1-CZ3 4.37Å; F263-W284 HydrophobicContact CD2-CH2 4.06Å; F263-W284 AromaticContact CD2-CZ3 3.84Å; F263-W284 HydrophobicContact CD2-CZ3 3.84Å; F263-W284 HydrophobicContact CE2-CZ3 4.48Å; F263-W284 AromaticContact CG-CH2 3.49Å; F263-W284 HydrophobicContact CG-CH2 3.49Å; F263-W284 VanDerWaalsContact CG-CH2 3.49Å; F263-W284 AromaticContact CG-CZ3 3.76Å; F263-W284 HydrophobicContact CG-CZ3 3.76Å; W284-F286 HydrophobicContact CB-CD2 4.41Å; W284-F286 HydrophobicContact CB-CE2 3.68Å; W284-F286 HydrophobicContact CB-CZ 3.74Å; W284-F286 HydrophobicContact CG-CZ 4.36Å; W284-L331 HydrophobicContact CE3-CD2 4.07Å; W284-L331 HydrophobicContact CZ3-CD1 4.44Å; W284-L331 HydrophobicContact CZ3-CD2 4.16Å; W284-P334 HydrophobicContact CB-CB 4.1Å; W284-P334 HydrophobicContact CB-CG 4.37Å; W284-P334 HydrophobicContact CD2-CG 4.46Å; W284-P334 HydrophobicContact CG-CB 4.06Å; W284-P334 HydrophobicContact CG-CG 3.8Å; W284-S617 PolarHBondContact O-N 2.98Å
285	S	94.4	Very high	93	Very high	57 Å²	57	65 Å²	65	40%	0.399	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	118.6	165.8	-167.7	0	0	0	0	108.5	N616	S285-N616 WeakPolarHBondContact CB-OD1 3.07Å; S285-N616 PolarHBondContact OG-OD1 2.97Å
286	F	95.9	Very high	93.7	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	123.1	178.6	-56	-94.8	0	0	0	108.2	W284 F309 Y329 L331 P334 V615	W284-F286 HydrophobicContact CB-CD2 4.41Å; W284-F286 HydrophobicContact CB-CE2 3.68Å; W284-F286 HydrophobicContact CB-CZ 3.74Å; W284-F286 HydrophobicContact CG-CZ 4.36Å; F286-F309 HydrophobicContact CD1-CE1 4.48Å; F286-F309 AromaticContact CD1-CZ 3.92Å; F286-F309 HydrophobicContact CD1-CZ 3.92Å; F286-F309 AromaticContact CD2-CZ 3.75Å; F286-F309 HydrophobicContact CD2-CZ 3.75Å; F286-F309 HydrophobicContact CE1-CE1 4.07Å; F286-F309 AromaticContact CE1-CZ 3.95Å; F286-F309 HydrophobicContact CE1-CZ 3.95Å; F286-F309 HydrophobicContact CE2-CE1 4.16Å; F286-F309 AromaticContact CE2-CZ 3.82Å; F286-F309 HydrophobicContact CE2-CZ 3.82Å; F286-F309 AromaticContact CG-CZ 3.83Å; F286-F309 HydrophobicContact CG-CZ 3.83Å; F286-F309 AromaticContact CZ-CE1 3.94Å; F286-F309 HydrophobicContact CZ-CE1 3.94Å; F286-F309 AromaticContact CZ-CZ 3.94Å; F286-F309 HydrophobicContact CZ-CZ 3.94Å; F286-Y329 HydrophobicContact CB-CD1 4.09Å; F286-Y329 HydrophobicContact CB-CE1 4.05Å; F286-Y329 HydrophobicContact CB-CG 4.35Å; F286-Y329 AromaticContact CD1-CD1 3.73Å; F286-Y329 HydrophobicContact CD1-CD1 3.73Å; F286-Y329 HydrophobicContact CD1-CE1 4.45Å; F286-Y329 AromaticContact CD1-CG 3.98Å; F286-Y329 HydrophobicContact CD1-CG 3.98Å; F286-Y329 HydrophobicContact CG-CD1 4.32Å; F286-Y329 HydrophobicContact CG-CG 4.43Å; F286-L331 HydrophobicContact CE2-CD2 4.44Å; F286-L331 HydrophobicContact CZ-CD2 3.7Å; F286-P334 HydrophobicContact CD1-CB 4.13Å; F286-P334 HydrophobicContact CE1-CB 3.8Å; F286-P334 HydrophobicContact CE1-CG 4.42Å; F286-P334 HydrophobicContact CZ-CB 4.35Å; F286-V615 HydrophobicContact CB-CB 4.27Å; F286-V615 WeakPolarHBondContact CD2-O 3.18Å; F286-V615 PolarHBondContact N-O 3.23Å; F286-V615 PolarHBondContact O-N 3.32Å
287	S	92.5	Very high	94.3	Very high	59 Å²	59	54.2 Å²	54.2	41%	0.413	27%	0.269	S	S	.	.			trans	-144.3	144.6	176.1	70.8	0	0	0	0	109.5
288	F	94.5	Very high	94.6	Very high	19 Å²	19	48.6 Å²	48.6	8%	0.083	24%	0.244	C	C	.	.			trans	-132.6	136.9	178	176.3	-129.9	0	0	0	109	K290 A291 R292 L325 Y329 Y336 P337 H340	F288-K290 VanDerWaalsContact C-N 3.27Å; F288-K290 HydrophobicContact CD1-CB 3.97Å; F288-K290 HydrophobicContact CE1-CB 3.59Å; F288-K290 HydrophobicContact CE1-CD 3.86Å; F288-K290 HydrophobicContact CE1-CG 3.85Å; F288-K290 HydrophobicContact CZ-CB 4.12Å; F288-K290 HydrophobicContact CZ-CD 3.81Å; F288-K290 HydrophobicContact CZ-CG 3.86Å; F288-K290 PolarHBondContact O-N 2.71Å; F288-A291 HydrophobicContact CB-CB 4.18Å; F288-A291 HydrophobicContact CD1-CB 4.39Å; F288-A291 WeakPolarHBondContact O-CA 3.47Å; F288-A291 WeakPolarHBondContact O-CB 3.26Å; F288-A291 PolarHBondContact O-N 3.37Å; F288-R292 PolarHBondContact O-N 2.93Å; F288-L325 HydrophobicContact CD1-CD2 3.69Å; F288-L325 HydrophobicContact CE1-CD2 3.87Å; F288-Y329 WeakPolarHBondContact CB-OH 3.35Å; F288-Y336 HydrophobicContact CD2-CD2 4.33Å; F288-Y336 HydrophobicContact CD2-CE2 4.07Å; F288-Y336 HydrophobicContact CE2-CD2 4.22Å; F288-Y336 AromaticContact CE2-CE2 3.52Å; F288-Y336 HydrophobicContact CE2-CE2 3.52Å; F288-Y336 AromaticContact CE2-CZ 3.89Å; F288-P337 HydrophobicContact CB-CG 4.35Å; F288-P337 HydrophobicContact CD1-CG 4.16Å; F288-P337 HydrophobicContact CD2-CG 3.9Å; F288-P337 HydrophobicContact CE1-CG 4.39Å; F288-P337 HydrophobicContact CE2-CG 4.19Å; F288-P337 HydrophobicContact CG-CG 3.9Å; F288-P337 HydrophobicContact CZ-CG 4.41Å; F288-H340 HydrophobicContact CE1-CB 4.27Å
289	E	94	Very high	94.9	Very high	174 Å²	174	49.2 Å²	49.2	81%	0.813	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-57.5	-40.8	-169.9	-172.8	174.2	-170.6	0	0	112.5	A291 R292	E289-A291 VanDerWaalsContact C-N 3.3Å; E289-A291 PolarHBondContact O-N 3.02Å; E289-R292 VanDerWaalsContact O-CB 3.24Å; E289-R292 WeakPolarHBondContact O-CB 3.13Å; E289-R292 PolarHBondContact O-N 2.82Å
290	K	93.1	Very high	94.9	Very high	106 Å²	106	48.3 Å²	48.3	46%	0.461	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-70.3	-24.5	177.3	-59.2	-174	177.8	180	0	113.6	F288 R292 I294 L325 E342	F288-K290 VanDerWaalsContact C-N 3.27Å; F288-K290 HydrophobicContact CD1-CB 3.97Å; F288-K290 HydrophobicContact CE1-CB 3.59Å; F288-K290 HydrophobicContact CE1-CD 3.86Å; F288-K290 HydrophobicContact CE1-CG 3.85Å; F288-K290 HydrophobicContact CZ-CB 4.12Å; F288-K290 HydrophobicContact CZ-CD 3.81Å; F288-K290 HydrophobicContact CZ-CG 3.86Å; F288-K290 PolarHBondContact O-N 2.71Å; K290-R292 VanDerWaalsContact C-N 3.29Å; K290-I294 WeakPolarHBondContact O-CD1 3.34Å; K290-L325 HydrophobicContact CB-CD2 4.2Å; K290-E342 WeakPolarHBondContact CD-OE1 3.23Å; K290-E342 WeakPolarHBondContact CE-OE1 3.48Å; K290-E342 IonicContact NZ-OE1 2.93Å; K290-E342 PolarHBondContact NZ-OE1 2.78Å
291	A	92.8	Very high	95	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-83	-7.3	177.7	0	0	0	0	0	112.8	F288 E289 K293 I294 Y313 L325	F288-A291 HydrophobicContact CB-CB 4.18Å; F288-A291 HydrophobicContact CD1-CB 4.39Å; F288-A291 WeakPolarHBondContact O-CA 3.47Å; F288-A291 WeakPolarHBondContact O-CB 3.26Å; F288-A291 PolarHBondContact O-N 3.37Å; E289-A291 VanDerWaalsContact C-N 3.3Å; E289-A291 PolarHBondContact O-N 3.02Å; A291-K293 PolarHBondContact O-N 3.12Å; A291-I294 WeakPolarHBondContact O-CB 3.34Å; A291-I294 PolarHBondContact O-N 2.92Å; A291-Y313 HydrophobicContact CB-CD1 3.87Å; A291-Y313 HydrophobicContact CB-CD2 4.13Å; A291-Y313 HydrophobicContact CB-CE1 3.61Å; A291-Y313 HydrophobicContact CB-CE2 3.87Å; A291-Y313 HydrophobicContact CB-CG 4.11Å; A291-L325 HydrophobicContact CB-CD2 3.88Å
292	R	90.1	Very high	94.9	Very high	190 Å²	190	46.8 Å²	46.8	72%	0.717	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	128.1	-173.2	-167.2	-175.3	176.1	177.2	0.9	111	F288 E289 K290 I294	F288-R292 PolarHBondContact O-N 2.93Å; E289-R292 VanDerWaalsContact O-CB 3.24Å; E289-R292 WeakPolarHBondContact O-CB 3.13Å; E289-R292 PolarHBondContact O-N 2.82Å; K290-R292 VanDerWaalsContact C-N 3.29Å; R292-I294 PolarHBondContact O-N 2.93Å
293	K	88.8	Confident	94.7	Very high	158 Å²	158	46.3 Å²	46.3	69%	0.687	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.9	14.6	-176.1	-46.3	179.3	-179.6	175.4	0	114.5	A291 H612	A291-K293 PolarHBondContact O-N 3.12Å; K293-H612 PolarHBondContact N-O 2.78Å
294	I	94.4	Very high	94.5	Very high	29 Å²	29	50.8 Å²	50.8	15%	0.149	25%	0.25	C	S	.	.	S	Bend	trans	-104.5	130.9	168.5	-50.1	-179.1	0	0	0	106.3	K290 A291 R292 G314 H612 G613	K290-I294 WeakPolarHBondContact O-CD1 3.34Å; A291-I294 WeakPolarHBondContact O-CB 3.34Å; A291-I294 PolarHBondContact O-N 2.92Å; R292-I294 PolarHBondContact O-N 2.93Å; I294-G314 WeakPolarHBondContact CG2-O 3.39Å; I294-H612 CarbonylContact O-C 3.24Å; I294-G613 WeakPolarHBondContact O-CA 3.39Å; I294-G613 PolarHBondContact O-N 2.75Å
295	A	95.9	Very high	94.4	Very high	10 Å²	10	55.6 Å²	55.6	8%	0.083	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	142.6	-174.7	0	0	0	0	0	110.8	T297 Y313 G314 Y316 D611	A295-T297 PolarHBondContact O-N 3.01Å; A295-Y313 VanDerWaalsContact O-CA 3.31Å; A295-Y313 WeakPolarHBondContact O-CA 3.39Å; A295-G314 PolarHBondContact N-O 3.49Å; A295-G314 PolarHBondContact O-N 3.12Å; A295-Y316 HydrophobicContact CB-CD2 3.94Å; A295-Y316 HydrophobicContact CB-CE2 4.25Å; A295-D611 HydrophobicContact CB-CB 4.27Å
296	V	97.5	Very high	94.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	116.3	166	178.2	0	0	0	0	107.5	L299 V311 Y313 T595 H596 D610 V615	V296-L299 HydrophobicContact CG1-CD2 3.81Å; V296-L299 HydrophobicContact CG1-CG 3.97Å; V296-V311 HydrophobicContact CG1-CG1 3.83Å; V296-V311 HydrophobicContact CG2-CG1 4.2Å; V296-Y313 HydrophobicContact CG2-CD1 4.1Å; V296-Y313 HydrophobicContact CG2-CE1 3.68Å; V296-T595 WeakPolarHBondContact O-CB 3.48Å; V296-T595 PolarHBondContact O-OG1 2.99Å; V296-H596 PolarHBondContact O-CD2 2.87Å; V296-D610 WeakPolarHBondContact CB-O 3.36Å; V296-D610 WeakPolarHBondContact CG2-O 3.31Å; V296-D610 PolarHBondContact N-O 2.88Å; V296-V615 HydrophobicContact CG1-CG2 4.38Å; V296-V615 HydrophobicContact CG2-CG2 3.85Å
297	T	97.4	Very high	94.3	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	-12.4	-175.2	54.6	0	0	0	0	113.3	A295 G312 Y316 V347 L348 H596	A295-T297 PolarHBondContact O-N 3.01Å; T297-G312 PolarHBondContact N-O 2.81Å; T297-G312 PolarHBondContact OG1-O 3.44Å; T297-G312 VanDerWaalsContact OG1-O 3.11Å; T297-Y316 WeakPolarHBondContact CA-OH 3.19Å; T297-Y316 HydrophobicContact CG2-CD2 4.33Å; T297-Y316 HydrophobicContact CG2-CE1 4.44Å; T297-Y316 HydrophobicContact CG2-CE2 3.75Å; T297-Y316 PolarHBondContact O-OH 2.92Å; T297-V347 VanDerWaalsContact CB-O 3.27Å; T297-V347 WeakPolarHBondContact CB-O 3.21Å; T297-V347 WeakPolarHBondContact CG2-O 3.35Å; T297-V347 PolarHBondContact OG1-O 2.99Å; T297-L348 HydrophobicContact CG2-CD2 4.24Å; T297-H596 VanDerWaalsContact C-CD2 3.45Å; T297-H596 PolarHBondContact O-CD2 3.03Å; T297-H596 PolarHBondContact O-CE1 3.5Å; T297-H596 PolarHBondContact O-NE2 3.01Å
298	S	97.6	Very high	94.4	Very high	9 Å²	9	53.2 Å²	53.2	6%	0.063	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	147.3	176.7	54.2	0	0	0	0	111.6	G312 L350	S298-G312 PolarHBondContact O-N 3.22Å; S298-G312 WeakPolarHBondContact OG-CA 3.33Å; S298-G312 PolarHBondContact OG-N 3.28Å; S298-L350 VanDerWaalsContact OG-CD2 3.23Å; S298-L350 WeakPolarHBondContact OG-CD2 3.37Å; S298-L350 VanDerWaalsContact OG-CG 3.27Å; S298-L350 WeakPolarHBondContact OG-CG 3.06Å
299	L	97.7	Very high	94.6	Very high	20 Å²	20	52.3 Å²	52.3	11%	0.105	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	130.2	176.2	-66.7	175.5	0	0	0	109	V296 V311 H596 A598 I607 V615	V296-L299 HydrophobicContact CG1-CD2 3.81Å; V296-L299 HydrophobicContact CG1-CG 3.97Å; L299-V311 HydrophobicContact CD2-CB 4.26Å; L299-V311 HydrophobicContact CD2-CG1 3.95Å; L299-V311 HydrophobicContact CD2-CG2 3.77Å; L299-H596 HydrophobicContact CD1-CB 3.82Å; L299-H596 HydrophobicContact CG-CB 3.99Å; L299-A598 HydrophobicContact CB-CB 4.15Å; L299-I607 HydrophobicContact CB-CD1 4.25Å; L299-I607 HydrophobicContact CD1-CD1 4.24Å; L299-I607 HydrophobicContact CD1-CG1 4.2Å; L299-I607 HydrophobicContact CD2-CD1 4.23Å; L299-I607 HydrophobicContact CG-CD1 4.49Å; L299-V615 HydrophobicContact CD2-CG1 4.26Å; L299-V615 HydrophobicContact CD2-CG2 3.99Å
300	C	97.2	Very high	94.7	Very high	15 Å²	15	44.1 Å²	44.1	10%	0.101	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	125.8	174.3	-172	0	0	0	0	110.8	F309 A310 L350 D351 L352	C300-F309 CarbonylContact O-C 3.53Å; C300-F309 VanDerWaalsContact O-CA 3.28Å; C300-F309 WeakPolarHBondContact O-CA 3.41Å; C300-F309 WeakPolarHBondContact O-CB 3.45Å; C300-A310 PolarHBondContact N-O 3.34Å; C300-A310 PolarHBondContact O-N 2.93Å; C300-L350 HydrophobicContact CB-CD1 3.39Å; C300-D351 PolarHBondContact SG-OD1 3.43Å; C300-L352 HydrophobicContact CB-CD1 4.48Å; C300-L352 WeakPolarHBondContact O-CD1 3.36Å
301	W	97.3	Very high	94.9	Very high	20 Å²	20	39 Å²	39	8%	0.076	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	145.4	171.6	-74.5	100.9	0	0	0	110.8	S303 F309 L331 A598 F599 N600 P601 I605 I607	W301-S303 PolarHBondContact O-N 2.76Å; W301-F309 HydrophobicContact CD2-CB 3.91Å; W301-F309 HydrophobicContact CE3-CB 3.71Å; W301-F309 HydrophobicContact CE3-CD1 4.16Å; W301-F309 HydrophobicContact CE3-CG 4.34Å; W301-F309 HydrophobicContact CG-CB 4.42Å; W301-F309 AromaticContact CH2-CD1 3.73Å; W301-F309 HydrophobicContact CH2-CD1 3.73Å; W301-F309 HydrophobicContact CH2-CE1 4.29Å; W301-F309 HydrophobicContact CH2-CG 4.38Å; W301-F309 HydrophobicContact CZ2-CD1 4.43Å; W301-F309 HydrophobicContact CZ3-CB 4.04Å; W301-F309 AromaticContact CZ3-CD1 3.58Å; W301-F309 HydrophobicContact CZ3-CD1 3.58Å; W301-F309 HydrophobicContact CZ3-CE1 4.46Å; W301-F309 HydrophobicContact CZ3-CG 4.19Å; W301-L331 HydrophobicContact CH2-CD2 4.3Å; W301-A598 PolarHBondContact NE1-O 3.34Å; W301-F599 PolarHBondContact NE1-O 2.93Å; W301-N600 HydrophobicContact CD2-CB 4.45Å; W301-N600 HydrophobicContact CH2-CB 4.46Å; W301-N600 VanDerWaalsContact CH2-ND2 3.31Å; W301-N600 WeakPolarHBondContact CH2-ND2 3.25Å; W301-N600 HydrophobicContact CZ2-CB 3.96Å; W301-N600 WeakPolarHBondContact CZ3-ND2 3.45Å; W301-P601 HydrophobicContact CB-CG 4.17Å; W301-I605 HydrophobicContact CH2-CD1 3.97Å; W301-I605 HydrophobicContact CZ2-CD1 4.17Å; W301-I607 HydrophobicContact CD2-CD1 4.38Å; W301-I607 HydrophobicContact CH2-CG2 4.16Å; W301-I607 HydrophobicContact CZ2-CB 4.25Å; W301-I607 HydrophobicContact CZ2-CD1 3.77Å; W301-I607 HydrophobicContact CZ2-CG1 3.82Å; W301-I607 HydrophobicContact CZ2-CG2 3.53Å
302	S	95.3	Very high	95.2	Very high	2 Å²	2	39 Å²	39	1%	0.014	19%	0.185	C	C	.	.			trans	-68	132.9	167.2	177.4	0	0	0	0	109.9	Q304 Y305 L308	S302-Q304 VanDerWaalsContact C-N 3.34Å; S302-Q304 PolarHBondContact OG-N 3.25Å; S302-Y305 WeakPolarHBondContact CB-O 3.31Å; S302-Y305 PolarHBondContact OG-N 2.97Å; S302-L308 WeakPolarHBondContact CB-O 3.28Å; S302-L308 PolarHBondContact N-O 3.12Å
303	S	91.5	Very high	95.5	Very high	74 Å²	74	30 Å²	30	52%	0.517	15%	0.151	S	C	.	.	S	Bend	trans	-66	-35.4	171.3	52.2	0	0	0	0	112.7	W301 P354	W301-S303 PolarHBondContact O-N 2.76Å; S303-P354 VanDerWaalsContact OG-C 3.29Å; S303-P354 WeakPolarHBondContact OG-CA 3.29Å; S303-P354 PolarHBondContact OG-O 3.17Å
304	Q	91.5	Very high	95.9	Very high	111 Å²	111	22.5 Å²	22.5	52%	0.519	12%	0.118	S	C	.	.	S	Bend	trans	-84.4	-40.5	-177.5	-173.4	171.2	1.9	0	0	113.8	S302 P357	S302-Q304 VanDerWaalsContact C-N 3.34Å; S302-Q304 PolarHBondContact OG-N 3.25Å; Q304-P357 HydrophobicContact CB-CB 4.42Å; Q304-P357 HydrophobicContact CB-CG 4.33Å
305	Y	93.6	Very high	95.9	Very high	113 Å²	113	21.9 Å²	21.9	44%	0.443	12%	0.116	S	C	.	.			trans	-112.7	109.6	-177.4	-59.6	-64.9	0	0	0	110.3	S302 D307 L308 P357	S302-Y305 WeakPolarHBondContact CB-O 3.31Å; S302-Y305 PolarHBondContact OG-N 2.97Å; Y305-D307 PolarHBondContact O-N 3.26Å; Y305-D307 VanDerWaalsContact O-N 3.14Å; Y305-L308 HydrophobicContact CD2-CD2 4.08Å; Y305-L308 PolarHBondContact O-N 2.8Å; Y305-P357 HydrophobicContact CD2-CB 3.97Å; Y305-P357 HydrophobicContact CD2-CG 4.04Å; Y305-P357 HydrophobicContact CE2-CB 4.01Å; Y305-P357 HydrophobicContact CE2-CG 3.56Å
306	S	93.8	Very high	95.7	Very high	22 Å²	22	26.1 Å²	26.1	15%	0.154	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-3.6	-177.5	50	0	0	0	0	114.6	N600 Q602 Y603	S306-N600 PolarHBondContact O-ND2 3.16Å; S306-Q602 PolarHBondContact OG-OE1 2.58Å; S306-Y603 WeakPolarHBondContact OG-CE2 3.33Å
307	D	94.6	Very high	95.4	Very high	25 Å²	25	29.9 Å²	29.9	13%	0.134	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-7.9	174.5	66.2	-44	0	0	0	113.8	Y305 T330 L331 K332	Y305-D307 PolarHBondContact O-N 3.26Å; Y305-D307 VanDerWaalsContact O-N 3.14Å; D307-T330 CarbonylContact O-C 3.59Å; D307-T330 WeakPolarHBondContact O-CA 3.36Å; D307-T330 PolarHBondContact OD2-OG1 2.79Å; D307-L331 HydrophobicContact CB-CB 4.06Å; D307-L331 HydrophobicContact CB-CD1 4.3Å; D307-L331 HydrophobicContact CB-CG 4.14Å; D307-L331 PolarHBondContact O-N 3.14Å; D307-K332 IonicContact OD1-NZ 3.8Å; D307-K332 WeakPolarHBondContact OD2-CD 3.36Å; D307-K332 VanDerWaalsContact OD2-CE 3.25Å; D307-K332 WeakPolarHBondContact OD2-CE 3.27Å; D307-K332 IonicContact OD2-NZ 2.66Å; D307-K332 PolarHBondContact OD2-NZ 3.09Å
308	L	95.1	Very high	94.9	Very high	20 Å²	20	37.6 Å²	37.6	11%	0.105	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.1	-175.9	-177.2	72	0	0	0	111	S302 Y305 A328 Y329	S302-L308 WeakPolarHBondContact CB-O 3.28Å; S302-L308 PolarHBondContact N-O 3.12Å; Y305-L308 HydrophobicContact CD2-CD2 4.08Å; Y305-L308 PolarHBondContact O-N 2.8Å; L308-A328 HydrophobicContact CD1-CB 4.21Å; L308-Y329 WeakPolarHBondContact CA-O 3.44Å
309	F	96.9	Very high	94.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	148.1	171.3	61.7	-82.6	0	0	0	111.5	F286 C300 W301 V311 A328 Y329 L331 I607 V615	F286-F309 HydrophobicContact CD1-CE1 4.48Å; F286-F309 AromaticContact CD1-CZ 3.92Å; F286-F309 HydrophobicContact CD1-CZ 3.92Å; F286-F309 AromaticContact CD2-CZ 3.75Å; F286-F309 HydrophobicContact CD2-CZ 3.75Å; F286-F309 HydrophobicContact CE1-CE1 4.07Å; F286-F309 AromaticContact CE1-CZ 3.95Å; F286-F309 HydrophobicContact CE1-CZ 3.95Å; F286-F309 HydrophobicContact CE2-CE1 4.16Å; F286-F309 AromaticContact CE2-CZ 3.82Å; F286-F309 HydrophobicContact CE2-CZ 3.82Å; F286-F309 AromaticContact CG-CZ 3.83Å; F286-F309 HydrophobicContact CG-CZ 3.83Å; F286-F309 AromaticContact CZ-CE1 3.94Å; F286-F309 HydrophobicContact CZ-CE1 3.94Å; F286-F309 AromaticContact CZ-CZ 3.94Å; F286-F309 HydrophobicContact CZ-CZ 3.94Å; C300-F309 CarbonylContact O-C 3.53Å; C300-F309 VanDerWaalsContact O-CA 3.28Å; C300-F309 WeakPolarHBondContact O-CA 3.41Å; C300-F309 WeakPolarHBondContact O-CB 3.45Å; W301-F309 HydrophobicContact CD2-CB 3.91Å; W301-F309 HydrophobicContact CE3-CB 3.71Å; W301-F309 HydrophobicContact CE3-CD1 4.16Å; W301-F309 HydrophobicContact CE3-CG 4.34Å; W301-F309 HydrophobicContact CG-CB 4.42Å; W301-F309 AromaticContact CH2-CD1 3.73Å; W301-F309 HydrophobicContact CH2-CD1 3.73Å; W301-F309 HydrophobicContact CH2-CE1 4.29Å; W301-F309 HydrophobicContact CH2-CG 4.38Å; W301-F309 HydrophobicContact CZ2-CD1 4.43Å; W301-F309 HydrophobicContact CZ3-CB 4.04Å; W301-F309 AromaticContact CZ3-CD1 3.58Å; W301-F309 HydrophobicContact CZ3-CD1 3.58Å; W301-F309 HydrophobicContact CZ3-CE1 4.46Å; W301-F309 HydrophobicContact CZ3-CG 4.19Å; F309-V311 HydrophobicContact CD2-CG2 3.59Å; F309-V311 HydrophobicContact CE2-CG2 3.54Å; F309-A328 CarbonylContact O-C 3.57Å; F309-A328 WeakPolarHBondContact O-CA 3.32Å; F309-Y329 AromaticContact CE2-CD2 3.89Å; F309-Y329 HydrophobicContact CE2-CD2 3.89Å; F309-Y329 HydrophobicContact CE2-CG 4.18Å; F309-Y329 HydrophobicContact CZ-CD2 4.24Å; F309-Y329 HydrophobicContact CZ-CG 4.06Å; F309-Y329 PolarHBondContact N-O 2.73Å; F309-Y329 PolarHBondContact O-N 2.82Å; F309-L331 HydrophobicContact CE1-CD2 4.34Å; F309-I607 HydrophobicContact CB-CD1 4.18Å; F309-I607 HydrophobicContact CD2-CD1 3.79Å; F309-I607 HydrophobicContact CE2-CD1 4.32Å; F309-I607 HydrophobicContact CG-CD1 3.97Å; F309-V615 HydrophobicContact CE2-CG1 4.14Å
310	A	97.2	Very high	94.2	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.008	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	141.2	174	0	0	0	0	0	110.3	C300 C327 L350 L352	C300-A310 PolarHBondContact N-O 3.34Å; C300-A310 PolarHBondContact O-N 2.93Å; A310-C327 CarbonylContact C-O 3.53Å; A310-C327 WeakPolarHBondContact CA-O 3.3Å; A310-L350 HydrophobicContact CB-CD1 3.61Å; A310-L350 HydrophobicContact CB-CD2 4.24Å; A310-L352 HydrophobicContact CB-CD1 3.92Å; A310-L352 HydrophobicContact CB-CD2 4.23Å; A310-L352 HydrophobicContact CB-CG 4.07Å
311	V	97.7	Very high	93.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.6	179.7	-173.4	0	0	0	0	108.2	V296 L299 F309 Y313 I326 C327 Y329 L350 V615	V296-V311 HydrophobicContact CG1-CG1 3.83Å; V296-V311 HydrophobicContact CG2-CG1 4.2Å; L299-V311 HydrophobicContact CD2-CB 4.26Å; L299-V311 HydrophobicContact CD2-CG1 3.95Å; L299-V311 HydrophobicContact CD2-CG2 3.77Å; F309-V311 HydrophobicContact CD2-CG2 3.59Å; F309-V311 HydrophobicContact CE2-CG2 3.54Å; V311-Y313 HydrophobicContact CB-CE2 3.94Å; V311-Y313 HydrophobicContact CG1-CD1 4.38Å; V311-Y313 HydrophobicContact CG1-CD2 4.16Å; V311-Y313 HydrophobicContact CG1-CE1 3.84Å; V311-Y313 HydrophobicContact CG1-CE2 3.6Å; V311-Y313 VanDerWaalsContact CG1-CZ 3.44Å; V311-I326 WeakPolarHBondContact O-CA 3.18Å; V311-C327 PolarHBondContact N-O 2.77Å; V311-C327 PolarHBondContact O-N 2.9Å; V311-Y329 HydrophobicContact CB-CD2 4.46Å; V311-Y329 HydrophobicContact CB-CE2 4.32Å; V311-Y329 HydrophobicContact CG2-CD2 3.69Å; V311-Y329 HydrophobicContact CG2-CE2 3.91Å; V311-L350 VanDerWaalsContact C-CD2 3.46Å; V311-V615 HydrophobicContact CG1-CG2 3.92Å; V311-V615 HydrophobicContact CG2-CG2 4.05Å
312	G	97.3	Very high	93.6	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	133.5	172.3	0	0	0	0	0	109.3	T297 S298	T297-G312 PolarHBondContact N-O 2.81Å; T297-G312 PolarHBondContact OG1-O 3.44Å; T297-G312 VanDerWaalsContact OG1-O 3.11Å; S298-G312 PolarHBondContact O-N 3.22Å; S298-G312 WeakPolarHBondContact OG-CA 3.33Å; S298-G312 PolarHBondContact OG-N 3.28Å
313	Y	97.8	Very high	93.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.9	176.7	-61.4	-82.7	0	0	0	109.9	A291 A295 V296 V311 G324 L325 C327 Y329 V347 G613	A291-Y313 HydrophobicContact CB-CD1 3.87Å; A291-Y313 HydrophobicContact CB-CD2 4.13Å; A291-Y313 HydrophobicContact CB-CE1 3.61Å; A291-Y313 HydrophobicContact CB-CE2 3.87Å; A291-Y313 HydrophobicContact CB-CG 4.11Å; A295-Y313 VanDerWaalsContact O-CA 3.31Å; A295-Y313 WeakPolarHBondContact O-CA 3.39Å; V296-Y313 HydrophobicContact CG2-CD1 4.1Å; V296-Y313 HydrophobicContact CG2-CE1 3.68Å; V311-Y313 HydrophobicContact CB-CE2 3.94Å; V311-Y313 HydrophobicContact CG1-CD1 4.38Å; V311-Y313 HydrophobicContact CG1-CD2 4.16Å; V311-Y313 HydrophobicContact CG1-CE1 3.84Å; V311-Y313 HydrophobicContact CG1-CE2 3.6Å; V311-Y313 VanDerWaalsContact CG1-CZ 3.44Å; Y313-G324 VanDerWaalsContact O-CA 3.23Å; Y313-G324 WeakPolarHBondContact O-CA 3.47Å; Y313-L325 WeakPolarHBondContact CB-O 3.37Å; Y313-L325 HydrophobicContact CD2-CB 4.1Å; Y313-L325 HydrophobicContact CD2-CD2 4.06Å; Y313-L325 HydrophobicContact CD2-CG 4.17Å; Y313-L325 WeakPolarHBondContact CD2-O 3.24Å; Y313-L325 HydrophobicContact CE2-CD2 4.43Å; Y313-L325 HydrophobicContact CG-CB 4.46Å; Y313-L325 PolarHBondContact N-O 3.39Å; Y313-L325 PolarHBondContact O-N 2.91Å; Y313-L325 VanDerWaalsContact O-N 3.12Å; Y313-C327 HydrophobicContact CE2-CB 3.85Å; Y313-Y329 WeakPolarHBondContact OH-CE2 3.44Å; Y313-Y329 PolarHBondContact OH-OH 3.29Å; Y313-Y329 VanDerWaalsContact OH-OH 3.07Å; Y313-V347 WeakPolarHBondContact O-CB 3.43Å; Y313-V347 PolarHBondContact O-N 2.88Å; Y313-G613 WeakPolarHBondContact CE1-O 2.93Å
314	G	96.2	Very high	93.6	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	-161.7	177.8	0	0	0	0	0	112.1	I294 A295 V347	I294-G314 WeakPolarHBondContact CG2-O 3.39Å; A295-G314 PolarHBondContact N-O 3.49Å; A295-G314 PolarHBondContact O-N 3.12Å; G314-V347 WeakPolarHBondContact CA-O 3.41Å
315	S	95.1	Very high	93.8	Very high	15 Å²	15	50.8 Å²	50.8	11%	0.105	25%	0.248	C	C	.	.			trans	-126.3	128.5	179	-172.8	0	0	0	0	111	D317 K320	S315-D317 VanDerWaalsContact C-N 3.34Å; S315-D317 PolarHBondContact OG-N 3.11Å; S315-K320 WeakPolarHBondContact CB-O 3.41Å; S315-K320 PolarHBondContact OG-O 3.09Å
316	Y	92	Very high	93.9	Very high	99 Å²	99	45.7 Å²	45.7	39%	0.388	23%	0.228	S	C	.	.			trans	-83.9	-12.4	167.8	-69.8	-67.4	0	0	0	112.6	A295 T297 F318 W397 T595 H596	A295-Y316 HydrophobicContact CB-CD2 3.94Å; A295-Y316 HydrophobicContact CB-CE2 4.25Å; T297-Y316 WeakPolarHBondContact CA-OH 3.19Å; T297-Y316 HydrophobicContact CG2-CD2 4.33Å; T297-Y316 HydrophobicContact CG2-CE1 4.44Å; T297-Y316 HydrophobicContact CG2-CE2 3.75Å; T297-Y316 PolarHBondContact O-OH 2.92Å; Y316-F318 PolarHBondContact O-N 3.09Å; Y316-W397 HydrophobicContact CD1-CH2 4.47Å; Y316-W397 AromaticContact CD1-CZ3 3.99Å; Y316-W397 HydrophobicContact CD1-CZ3 3.99Å; Y316-W397 AromaticContact CE1-CZ3 3.87Å; Y316-W397 HydrophobicContact CE1-CZ3 3.87Å; Y316-T595 HydrophobicContact CE2-CG2 4.12Å; Y316-H596 PolarHBondContact OH-NE2 3.16Å
317	D	91.2	Very high	93.9	Very high	79 Å²	79	44.6 Å²	44.6	42%	0.422	22%	0.221	S	C	.	.			trans	-82.9	108.4	-176.6	-175.3	-8	0	0	0	110.4	S315 L319 K320 Q321	S315-D317 VanDerWaalsContact C-N 3.34Å; S315-D317 PolarHBondContact OG-N 3.11Å; D317-L319 PolarHBondContact O-N 3.1Å; D317-L319 VanDerWaalsContact O-N 3.17Å; D317-L319 PolarHBondContact OD1-N 2.73Å; D317-K320 HydrophobicContact CB-CB 4.08Å; D317-K320 CarbonylContact O-C 3.52Å; D317-K320 VanDerWaalsContact O-C 3.24Å; D317-K320 PolarHBondContact O-N 3.44Å; D317-K320 WeakPolarHBondContact OD2-CB 3.27Å; D317-Q321 PolarHBondContact O-NE2 3.48Å
318	F	87.3	Confident	94	Very high	163 Å²	163	43.7 Å²	43.7	72%	0.715	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-38.1	177.3	-179.3	-96.6	0	0	0	113.1	Y316 Y365	Y316-F318 PolarHBondContact O-N 3.09Å; F318-Y365 VanDerWaalsContact CD2-OH 3.3Å; F318-Y365 WeakPolarHBondContact CD2-OH 3.3Å
319	L	90.7	Very high	94	Very high	158 Å²	158	42.7 Å²	42.7	83%	0.827	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-19	-178.2	-64.2	175.2	0	0	0	112.8	D317	D317-L319 PolarHBondContact O-N 3.1Å; D317-L319 VanDerWaalsContact O-N 3.17Å; D317-L319 PolarHBondContact OD1-N 2.73Å
320	K	89.8	Confident	93.9	Very high	139 Å²	139	42.8 Å²	42.8	60%	0.604	21%	0.212	S	C	*	.	S	Bend	trans	-130.4	69.5	-173.7	-164.9	-172.7	175.8	-171.4	0	111	S315 D317	S315-K320 WeakPolarHBondContact CB-O 3.41Å; S315-K320 PolarHBondContact OG-O 3.09Å; D317-K320 HydrophobicContact CB-CB 4.08Å; D317-K320 CarbonylContact O-C 3.52Å; D317-K320 VanDerWaalsContact O-C 3.24Å; D317-K320 PolarHBondContact O-N 3.44Å; D317-K320 WeakPolarHBondContact OD2-CB 3.27Å
321	Q	90.5	Very high	93.8	Very high	66 Å²	66	43.7 Å²	43.7	31%	0.308	22%	0.216	S	C	.	.			trans	-74.3	143.4	171.1	-65.5	-59.9	-37.8	0	0	110.9	D317 Y365	D317-Q321 PolarHBondContact O-NE2 3.48Å; Q321-Y365 VanDerWaalsContact CD-CE1 3.47Å; Q321-Y365 VanDerWaalsContact CD-CE2 3.48Å; Q321-Y365 HydrophobicContact CG-CD1 4Å; Q321-Y365 HydrophobicContact CG-CE1 3.55Å; Q321-Y365 HydrophobicContact CG-CE2 4.37Å; Q321-Y365 VanDerWaalsContact NE2-CE2 3.25Å; Q321-Y365 VanDerWaalsContact OE1-CG 3.26Å
322	S	90.7	Very high	93.6	Very high	45 Å²	45	48.8 Å²	48.8	32%	0.315	24%	0.239	S	C	.	.			trans	-134.8	161.6	178	66.4	0	0	0	0	110.2	G346	S322-G346 PolarHBondContact O-N 3.47Å
323	N	93.4	Very high	93.4	Very high	112 Å²	112	49.2 Å²	49.2	60%	0.599	24%	0.241	S	C	*	.			trans	-54.7	150.1	165.9	-64.8	16.5	0	0	0	109.6	T343 E344	N323-T343 WeakPolarHBondContact CB-O 3.35Å; N323-E344 PolarHBondContact OD1-O 2.92Å
324	G	93.2	Very high	93.1	Very high	4 Å²	4	49.4 Å²	49.4	4%	0.041	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	168.4	178.7	0	0	0	0	0	112.2	Y313 T343 S345	Y313-G324 VanDerWaalsContact O-CA 3.23Å; Y313-G324 WeakPolarHBondContact O-CA 3.47Å; G324-T343 WeakPolarHBondContact CA-OG1 3.41Å; G324-T343 PolarHBondContact N-O 3.11Å; G324-T343 VanDerWaalsContact N-O 3.11Å; G324-T343 PolarHBondContact O-N 3.22Å; G324-T343 PolarHBondContact O-OG1 2.91Å; G324-S345 WeakPolarHBondContact CA-O 3.34Å; G324-S345 PolarHBondContact N-O 3.03Å; G324-S345 VanDerWaalsContact N-O 3.16Å
325	L	95.1	Very high	92.8	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	139	175.2	-179.2	75.4	0	0	0	108.8	F288 K290 A291 Y313 H340 E342	F288-L325 HydrophobicContact CD1-CD2 3.69Å; F288-L325 HydrophobicContact CE1-CD2 3.87Å; K290-L325 HydrophobicContact CB-CD2 4.2Å; A291-L325 HydrophobicContact CB-CD2 3.88Å; Y313-L325 WeakPolarHBondContact CB-O 3.37Å; Y313-L325 HydrophobicContact CD2-CB 4.1Å; Y313-L325 HydrophobicContact CD2-CD2 4.06Å; Y313-L325 HydrophobicContact CD2-CG 4.17Å; Y313-L325 WeakPolarHBondContact CD2-O 3.24Å; Y313-L325 HydrophobicContact CE2-CD2 4.43Å; Y313-L325 HydrophobicContact CG-CB 4.46Å; Y313-L325 PolarHBondContact N-O 3.39Å; Y313-L325 PolarHBondContact O-N 2.91Å; Y313-L325 VanDerWaalsContact O-N 3.12Å; L325-H340 HydrophobicContact CD1-CB 4.42Å; L325-E342 HydrophobicContact CD1-CG 3.78Å
326	I	95.6	Very high	92.8	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	125.1	171.9	-56.4	162.9	0	0	0	106.3	V311 H340 L341 T343 V347 L360 V362 Y372	V311-I326 WeakPolarHBondContact O-CA 3.18Å; I326-H340 CarbonylContact O-C 3.55Å; I326-H340 WeakPolarHBondContact O-CA 3.43Å; I326-L341 HydrophobicContact CB-CB 4.32Å; I326-L341 PolarHBondContact N-O 2.94Å; I326-L341 PolarHBondContact O-N 2.9Å; I326-T343 HydrophobicContact CD1-CG2 3.74Å; I326-T343 HydrophobicContact CG1-CG2 4.13Å; I326-V347 HydrophobicContact CD1-CG2 4.4Å; I326-V347 HydrophobicContact CG1-CG2 3.72Å; I326-L360 HydrophobicContact CD1-CD1 4.41Å; I326-L360 HydrophobicContact CG2-CD1 3.89Å; I326-V362 HydrophobicContact CD1-CG1 4.29Å; I326-V362 HydrophobicContact CD1-CG2 3.74Å; I326-Y372 HydrophobicContact CD1-CD2 4.08Å; I326-Y372 HydrophobicContact CD1-CE2 4.24Å; I326-Y372 HydrophobicContact CD1-CG 4.24Å
327	C	95.1	Very high	92.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.2	172.8	-66	0	0	0	0	110.5	A310 V311 Y313 Y329 P337 Y339	A310-C327 CarbonylContact C-O 3.53Å; A310-C327 WeakPolarHBondContact CA-O 3.3Å; V311-C327 PolarHBondContact N-O 2.77Å; V311-C327 PolarHBondContact O-N 2.9Å; Y313-C327 HydrophobicContact CE2-CB 3.85Å; C327-Y329 HydrophobicContact CB-CD2 4.05Å; C327-Y329 HydrophobicContact CB-CE2 3.51Å; C327-P337 HydrophobicContact CB-CB 3.92Å; C327-Y339 CarbonylContact C-O 3.54Å; C327-Y339 WeakPolarHBondContact CA-O 3.24Å
328	A	95.3	Very high	92.9	Very high	5 Å²	5	50.3 Å²	50.3	4%	0.041	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	116.2	166.8	0	0	0	0	0	108.6	L308 F309 P337 E338 Y339 I374	L308-A328 HydrophobicContact CD1-CB 4.21Å; F309-A328 CarbonylContact O-C 3.57Å; F309-A328 WeakPolarHBondContact O-CA 3.32Å; A328-P337 CarbonylContact O-C 3.48Å; A328-E338 PolarHBondContact O-N 2.84Å; A328-Y339 HydrophobicContact CB-CD2 4.23Å; A328-Y339 PolarHBondContact N-O 2.79Å; A328-Y339 PolarHBondContact O-N 3.37Å; A328-I374 HydrophobicContact CB-CD1 4.39Å; A328-I374 HydrophobicContact CB-CG2 4.22Å
329	Y	95.9	Very high	93.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	150.5	177.7	-69.1	-85.7	0	0	0	110.4	F286 F288 L308 F309 V311 Y313 C327 P337	F286-Y329 HydrophobicContact CB-CD1 4.09Å; F286-Y329 HydrophobicContact CB-CE1 4.05Å; F286-Y329 HydrophobicContact CB-CG 4.35Å; F286-Y329 AromaticContact CD1-CD1 3.73Å; F286-Y329 HydrophobicContact CD1-CD1 3.73Å; F286-Y329 HydrophobicContact CD1-CE1 4.45Å; F286-Y329 AromaticContact CD1-CG 3.98Å; F286-Y329 HydrophobicContact CD1-CG 3.98Å; F286-Y329 HydrophobicContact CG-CD1 4.32Å; F286-Y329 HydrophobicContact CG-CG 4.43Å; F288-Y329 WeakPolarHBondContact CB-OH 3.35Å; L308-Y329 WeakPolarHBondContact CA-O 3.44Å; F309-Y329 AromaticContact CE2-CD2 3.89Å; F309-Y329 HydrophobicContact CE2-CD2 3.89Å; F309-Y329 HydrophobicContact CE2-CG 4.18Å; F309-Y329 HydrophobicContact CZ-CD2 4.24Å; F309-Y329 HydrophobicContact CZ-CG 4.06Å; F309-Y329 PolarHBondContact N-O 2.73Å; F309-Y329 PolarHBondContact O-N 2.82Å; V311-Y329 HydrophobicContact CB-CD2 4.46Å; V311-Y329 HydrophobicContact CB-CE2 4.32Å; V311-Y329 HydrophobicContact CG2-CD2 3.69Å; V311-Y329 HydrophobicContact CG2-CE2 3.91Å; Y313-Y329 WeakPolarHBondContact OH-CE2 3.44Å; Y313-Y329 PolarHBondContact OH-OH 3.29Å; Y313-Y329 VanDerWaalsContact OH-OH 3.07Å; C327-Y329 HydrophobicContact CB-CD2 4.05Å; C327-Y329 HydrophobicContact CB-CE2 3.51Å; Y329-P337 HydrophobicContact CD1-CB 3.91Å; Y329-P337 HydrophobicContact CE1-CB 3.69Å; Y329-P337 HydrophobicContact CE1-CG 4.22Å; Y329-P337 HydrophobicContact CE2-CB 4.46Å; Y329-P337 HydrophobicContact CG-CB 4.4Å
330	T	95	Very high	93.2	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	143.4	171	171.3	0	0	0	0	109.6	D307 K332 N333 E338	D307-T330 CarbonylContact O-C 3.59Å; D307-T330 WeakPolarHBondContact O-CA 3.36Å; D307-T330 PolarHBondContact OD2-OG1 2.79Å; T330-K332 HydrophobicContact CG2-CB 4.06Å; T330-K332 PolarHBondContact O-N 2.97Å; T330-K332 VanDerWaalsContact O-N 3.09Å; T330-K332 WeakPolarHBondContact OG1-CB 3.42Å; T330-K332 PolarHBondContact OG1-N 2.97Å; T330-K332 VanDerWaalsContact OG1-N 3.09Å; T330-N333 HydrophobicContact CG2-CB 4.13Å; T330-N333 CarbonylContact O-C 3.31Å; T330-N333 PolarHBondContact O-N 3.15Å; T330-N333 VanDerWaalsContact O-N 3.08Å; T330-E338 HydrophobicContact CG2-CB 4.29Å; T330-E338 VanDerWaalsContact CG2-OE2 3.29Å; T330-E338 WeakPolarHBondContact CG2-OE2 3.46Å
331	L	94.7	Very high	93.3	Very high	20 Å²	20	35.5 Å²	35.5	11%	0.105	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.2	170	-57.7	-177.3	0	0	0	112.6	F263 W284 F286 W301 D307 F309 N333 I605	F263-L331 HydrophobicContact CE2-CD1 4.32Å; F263-L331 HydrophobicContact CZ-CD1 4.07Å; W284-L331 HydrophobicContact CE3-CD2 4.07Å; W284-L331 HydrophobicContact CZ3-CD1 4.44Å; W284-L331 HydrophobicContact CZ3-CD2 4.16Å; F286-L331 HydrophobicContact CE2-CD2 4.44Å; F286-L331 HydrophobicContact CZ-CD2 3.7Å; W301-L331 HydrophobicContact CH2-CD2 4.3Å; D307-L331 HydrophobicContact CB-CB 4.06Å; D307-L331 HydrophobicContact CB-CD1 4.3Å; D307-L331 HydrophobicContact CB-CG 4.14Å; D307-L331 PolarHBondContact O-N 3.14Å; F309-L331 HydrophobicContact CE1-CD2 4.34Å; L331-N333 VanDerWaalsContact C-N 3.33Å; L331-I605 HydrophobicContact CD1-CD1 4.05Å
332	K	93.8	Very high	93.5	Very high	108 Å²	108	38.2 Å²	38.2	47%	0.47	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-22.1	176.3	-62.6	173	177.4	124.3	0	113.7	R249 D307 T330	R249-K332 HydrophobicContact CG-CB 4.14Å; D307-K332 IonicContact OD1-NZ 3.8Å; D307-K332 WeakPolarHBondContact OD2-CD 3.36Å; D307-K332 VanDerWaalsContact OD2-CE 3.25Å; D307-K332 WeakPolarHBondContact OD2-CE 3.27Å; D307-K332 IonicContact OD2-NZ 2.66Å; D307-K332 PolarHBondContact OD2-NZ 3.09Å; T330-K332 HydrophobicContact CG2-CB 4.06Å; T330-K332 PolarHBondContact O-N 2.97Å; T330-K332 VanDerWaalsContact O-N 3.09Å; T330-K332 WeakPolarHBondContact OG1-CB 3.42Å; T330-K332 PolarHBondContact OG1-N 2.97Å; T330-K332 VanDerWaalsContact OG1-N 3.09Å
333	N	92.4	Very high	93.6	Very high	8 Å²	8	36.3 Å²	36.3	4%	0.043	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-144.2	88.8	177.8	-175.1	1	0	0	0	109.4	E248 R249 N252 T330 L331 S335 Y336	E248-N333 PolarHBondContact OE1-ND2 3.25Å; R249-N333 HydrophobicContact CG-CB 4.27Å; N252-N333 PolarHBondContact ND2-OD1 2.88Å; N252-N333 PolarHBondContact OD1-OD1 3.13Å; T330-N333 HydrophobicContact CG2-CB 4.13Å; T330-N333 CarbonylContact O-C 3.31Å; T330-N333 PolarHBondContact O-N 3.15Å; T330-N333 VanDerWaalsContact O-N 3.08Å; L331-N333 VanDerWaalsContact C-N 3.33Å; N333-S335 VanDerWaalsContact C-N 3.31Å; N333-S335 PolarHBondContact OD1-N 2.75Å; N333-Y336 PolarHBondContact OD1-N 2.98Å
334	P	92.1	Very high	93.6	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.032	19%	0.189	C	C	.	.	S	Bend	trans	-70.8	-26	179	-18.5	32.1	0	0	0	114.3	W284 F286	W284-P334 HydrophobicContact CB-CB 4.1Å; W284-P334 HydrophobicContact CB-CG 4.37Å; W284-P334 HydrophobicContact CD2-CG 4.46Å; W284-P334 HydrophobicContact CG-CB 4.06Å; W284-P334 HydrophobicContact CG-CG 3.8Å; F286-P334 HydrophobicContact CD1-CB 4.13Å; F286-P334 HydrophobicContact CE1-CB 3.8Å; F286-P334 HydrophobicContact CE1-CG 4.42Å; F286-P334 HydrophobicContact CZ-CB 4.35Å
335	S	91	Very high	93.6	Very high	66 Å²	66	40.2 Å²	40.2	46%	0.462	19%	0.194	S	C	.	.	S	Bend	trans	-77.2	-27.7	-170.7	-59	0	0	0	0	113.7	N252 N333	N252-S335 VanDerWaalsContact OD1-CB 3.24Å; N252-S335 WeakPolarHBondContact OD1-CB 3.38Å; N252-S335 PolarHBondContact OD1-OG 3.19Å; N333-S335 VanDerWaalsContact C-N 3.31Å; N333-S335 PolarHBondContact OD1-N 2.75Å
336	Y	93.3	Very high	93.7	Very high	98 Å²	98	40.1 Å²	40.1	38%	0.384	19%	0.194	S	C	.	.	S	Bend	trans	-143.4	136.6	-176.2	-165	-92	0	0	0	111.4	F288 N333 H340	F288-Y336 HydrophobicContact CD2-CD2 4.33Å; F288-Y336 HydrophobicContact CD2-CE2 4.07Å; F288-Y336 HydrophobicContact CE2-CD2 4.22Å; F288-Y336 AromaticContact CE2-CE2 3.52Å; F288-Y336 HydrophobicContact CE2-CE2 3.52Å; F288-Y336 AromaticContact CE2-CZ 3.89Å; N333-Y336 PolarHBondContact OD1-N 2.98Å; Y336-H340 PolarHBondContact OH-CE1 2.72Å
337	P	93.9	Very high	93.8	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	19%	0.192	C	C	.	.			trans	-66	137.2	178.7	27.6	-34.5	0	0	0	111.1	F288 C327 A328 Y329 Y339 H340	F288-P337 HydrophobicContact CB-CG 4.35Å; F288-P337 HydrophobicContact CD1-CG 4.16Å; F288-P337 HydrophobicContact CD2-CG 3.9Å; F288-P337 HydrophobicContact CE1-CG 4.39Å; F288-P337 HydrophobicContact CE2-CG 4.19Å; F288-P337 HydrophobicContact CG-CG 3.9Å; F288-P337 HydrophobicContact CZ-CG 4.41Å; C327-P337 HydrophobicContact CB-CB 3.92Å; A328-P337 CarbonylContact O-C 3.48Å; Y329-P337 HydrophobicContact CD1-CB 3.91Å; Y329-P337 HydrophobicContact CE1-CB 3.69Å; Y329-P337 HydrophobicContact CE1-CG 4.22Å; Y329-P337 HydrophobicContact CE2-CB 4.46Å; Y329-P337 HydrophobicContact CG-CB 4.4Å; P337-Y339 PolarHBondContact O-N 3.5Å; P337-H340 HydrophobicContact CG-CB 4.33Å
338	E	91.6	Very high	93.9	Very high	48 Å²	48	40 Å²	40	22%	0.224	19%	0.193	C	C	.	.	S	Bend	trans	-64.5	-34.6	179.4	-167.2	172.7	158.4	0	0	111.9	R249 A328 T330	R249-E338 IonicContact CZ-OE2 3.32Å; R249-E338 IonicContact NH2-OE1 3.84Å; R249-E338 PolarHBondContact NH2-OE1 3.04Å; R249-E338 IonicContact NH2-OE2 3.9Å; R249-E338 PolarHBondContact NH2-OE2 3.02Å; A328-E338 PolarHBondContact O-N 2.84Å; T330-E338 HydrophobicContact CG2-CB 4.29Å; T330-E338 VanDerWaalsContact CG2-OE2 3.29Å; T330-E338 WeakPolarHBondContact CG2-OE2 3.46Å
339	Y	92.1	Very high	94	Very high	59 Å²	59	40 Å²	40	23%	0.231	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	144.1	174.7	-54.4	-87.9	0	0	0	109.6	C327 A328 P337 I374 L375	C327-Y339 CarbonylContact C-O 3.54Å; C327-Y339 WeakPolarHBondContact CA-O 3.24Å; A328-Y339 HydrophobicContact CB-CD2 4.23Å; A328-Y339 PolarHBondContact N-O 2.79Å; A328-Y339 PolarHBondContact O-N 3.37Å; P337-Y339 PolarHBondContact O-N 3.5Å; Y339-I374 VanDerWaalsContact CB-CG2 3.47Å; Y339-I374 HydrophobicContact CD1-CG2 3.84Å; Y339-I374 WeakPolarHBondContact CD1-O 3.43Å; Y339-I374 HydrophobicContact CD2-CG2 3.16Å; Y339-I374 HydrophobicContact CE1-CG2 4.39Å; Y339-I374 HydrophobicContact CE2-CG2 3.79Å; Y339-I374 HydrophobicContact CG-CG2 3.2Å; Y339-L375 HydrophobicContact CE1-CD2 4.49Å
340	H	92.8	Very high	94.1	Very high	61 Å²	61	40.4 Å²	40.4	28%	0.282	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	143.4	171.8	66.6	-85.1	0	0	0	110.5	F288 L325 I326 Y336 P337	F288-H340 HydrophobicContact CE1-CB 4.27Å; L325-H340 HydrophobicContact CD1-CB 4.42Å; I326-H340 CarbonylContact O-C 3.55Å; I326-H340 WeakPolarHBondContact O-CA 3.43Å; Y336-H340 PolarHBondContact OH-CE1 2.72Å; P337-H340 HydrophobicContact CG-CB 4.33Å
341	L	92.7	Very high	94.2	Very high	29 Å²	29	41.3 Å²	41.3	15%	0.152	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	121.7	-179.6	-57.6	170.1	0	0	0	108.4	I326 Y372	I326-L341 HydrophobicContact CB-CB 4.32Å; I326-L341 PolarHBondContact N-O 2.94Å; I326-L341 PolarHBondContact O-N 2.9Å; L341-Y372 HydrophobicContact CD1-CD1 3.89Å; L341-Y372 HydrophobicContact CD1-CG 4.24Å
342	E	93.1	Very high	94.3	Very high	122 Å²	122	40.8 Å²	40.8	57%	0.57	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	138.1	173.6	-69.1	175.4	-162.8	0	0	109.8	K290 L325	K290-E342 WeakPolarHBondContact CD-OE1 3.23Å; K290-E342 WeakPolarHBondContact CE-OE1 3.48Å; K290-E342 IonicContact NZ-OE1 2.93Å; K290-E342 PolarHBondContact NZ-OE1 2.78Å; L325-E342 HydrophobicContact CD1-CG 3.78Å
343	T	93.7	Very high	94.4	Very high	6 Å²	6	36 Å²	36	4%	0.037	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144.6	-179.2	61.8	0	0	0	0	110.4	N323 G324 I326 S345 V347 F364 Y372	N323-T343 WeakPolarHBondContact CB-O 3.35Å; G324-T343 WeakPolarHBondContact CA-OG1 3.41Å; G324-T343 PolarHBondContact N-O 3.11Å; G324-T343 VanDerWaalsContact N-O 3.11Å; G324-T343 PolarHBondContact O-N 3.22Å; G324-T343 PolarHBondContact O-OG1 2.91Å; I326-T343 HydrophobicContact CD1-CG2 3.74Å; I326-T343 HydrophobicContact CG1-CG2 4.13Å; T343-S345 PolarHBondContact O-N 2.88Å; T343-S345 PolarHBondContact OG1-O 3.4Å; T343-V347 HydrophobicContact CG2-CG2 4.33Å; T343-F364 HydrophobicContact CG2-CE1 3.75Å; T343-F364 HydrophobicContact CG2-CZ 4.04Å; T343-Y372 HydrophobicContact CG2-CE1 4.43Å
344	E	92.7	Very high	94.4	Very high	178 Å²	178	39.4 Å²	39.4	83%	0.832	20%	0.199	S	C	*	.	S	Bend	trans	-64.2	-27.5	-178	-62	-177.9	171.5	0	0	112.6	N323	N323-E344 PolarHBondContact OD1-O 2.92Å
345	S	94.8	Very high	94.5	Very high	20 Å²	20	42.8 Å²	42.8	14%	0.14	22%	0.223	C	C	.	.	S	Bend	trans	-122.6	152.6	-177.7	-174.8	0	0	0	0	109.9	G324 T343 V347 F364 D366	G324-S345 WeakPolarHBondContact CA-O 3.34Å; G324-S345 PolarHBondContact N-O 3.03Å; G324-S345 VanDerWaalsContact N-O 3.16Å; T343-S345 PolarHBondContact O-N 2.88Å; T343-S345 PolarHBondContact OG1-O 3.4Å; S345-V347 PolarHBondContact O-N 2.9Å; S345-F364 WeakPolarHBondContact O-CD1 3.44Å; S345-D366 WeakPolarHBondContact CB-OD1 3.29Å; S345-D366 PolarHBondContact OG-N 3.07Å; S345-D366 PolarHBondContact OG-OD1 3.11Å
346	G	96.2	Very high	94.6	Very high	2 Å²	2	41.9 Å²	41.9	2%	0.021	21%	0.212	C	C	.	.			trans	-60.1	129.7	178.9	0	0	0	0	0	111.5	S322 F364 Y365	S322-G346 PolarHBondContact O-N 3.47Å; G346-F364 WeakPolarHBondContact O-CA 3.45Å; G346-Y365 PolarHBondContact O-N 2.96Å
347	V	97.7	Very high	94.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	132.2	174.2	177.7	0	0	0	0	108.2	T297 Y313 G314 I326 T343 S345 V362 F364	T297-V347 VanDerWaalsContact CB-O 3.27Å; T297-V347 WeakPolarHBondContact CB-O 3.21Å; T297-V347 WeakPolarHBondContact CG2-O 3.35Å; T297-V347 PolarHBondContact OG1-O 2.99Å; Y313-V347 WeakPolarHBondContact O-CB 3.43Å; Y313-V347 PolarHBondContact O-N 2.88Å; G314-V347 WeakPolarHBondContact CA-O 3.41Å; I326-V347 HydrophobicContact CD1-CG2 4.4Å; I326-V347 HydrophobicContact CG1-CG2 3.72Å; T343-V347 HydrophobicContact CG2-CG2 4.33Å; S345-V347 PolarHBondContact O-N 2.9Å; V347-V362 HydrophobicContact CB-CG1 4.37Å; V347-V362 HydrophobicContact CG1-CG1 3.69Å; V347-V362 HydrophobicContact CG2-CG1 4.03Å; V347-F364 HydrophobicContact CG2-CD1 4.33Å; V347-F364 HydrophobicContact CG2-CE1 3.88Å
348	L	97.6	Very high	94.2	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.016	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	-26.3	176.7	-66	-178.4	0	0	0	112.9	T297 G363 Y365 P395 V396 W397	T297-L348 HydrophobicContact CG2-CD2 4.24Å; L348-G363 PolarHBondContact N-O 3.33Å; L348-Y365 HydrophobicContact CD1-CD2 4.1Å; L348-P395 HydrophobicContact CD1-CB 3.54Å; L348-V396 WeakPolarHBondContact CB-O 3.34Å; L348-W397 HydrophobicContact CD1-CE3 4.1Å; L348-W397 HydrophobicContact CD1-CZ3 4.04Å; L348-W397 HydrophobicContact CD2-CZ3 4.17Å
349	S	97.8	Very high	94.4	Very high	5 Å²	5	40.6 Å²	40.6	4%	0.035	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	150.3	178.1	52.2	0	0	0	0	111.1	V362 G363 V396 W397 E398 V399	S349-V362 CarbonylContact O-C 3.48Å; S349-V362 WeakPolarHBondContact O-CA 3.34Å; S349-G363 PolarHBondContact N-O 3.19Å; S349-G363 PolarHBondContact O-N 2.96Å; S349-V396 PolarHBondContact OG-O 2.9Å; S349-V396 VanDerWaalsContact OG-O 3.11Å; S349-W397 WeakPolarHBondContact CB-O 3.4Å; S349-E398 VanDerWaalsContact CB-CA 3.5Å; S349-V399 PolarHBondContact OG-N 3.34Å
350	L	97.4	Very high	94.6	Very high	9 Å²	9	37.8 Å²	37.8	5%	0.047	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	153.5	171.7	70	88.1	0	0	0	110.8	S298 C300 A310 V311 L360 C361 V362	S298-L350 VanDerWaalsContact OG-CD2 3.23Å; S298-L350 WeakPolarHBondContact OG-CD2 3.37Å; S298-L350 VanDerWaalsContact OG-CG 3.27Å; S298-L350 WeakPolarHBondContact OG-CG 3.06Å; C300-L350 HydrophobicContact CB-CD1 3.39Å; A310-L350 HydrophobicContact CB-CD1 3.61Å; A310-L350 HydrophobicContact CB-CD2 4.24Å; V311-L350 VanDerWaalsContact C-CD2 3.46Å; L350-L360 HydrophobicContact CB-CD1 4.17Å; L350-C361 VanDerWaalsContact CA-O 3.24Å; L350-C361 WeakPolarHBondContact CA-O 3.43Å; L350-V362 HydrophobicContact CB-CG2 4.45Å
351	D	97.5	Very high	94.8	Very high	19 Å²	19	34.9 Å²	34.9	10%	0.102	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	131.8	172.5	-164.3	38.6	0	0	0	110.6	C300 L360 C361 V399 R400 W401	C300-D351 PolarHBondContact SG-OD1 3.43Å; D351-L360 VanDerWaalsContact O-CA 3.26Å; D351-L360 WeakPolarHBondContact O-CA 3.29Å; D351-L360 WeakPolarHBondContact O-CB 3.34Å; D351-C361 PolarHBondContact N-O 3.29Å; D351-C361 PolarHBondContact O-N 3.45Å; D351-V399 HydrophobicContact CB-CG2 4.46Å; D351-V399 WeakPolarHBondContact CB-O 3.41Å; D351-R400 IonicContact OD1-NH1 3.03Å; D351-R400 PolarHBondContact OD1-NH1 3.15Å; D351-R400 WeakPolarHBondContact OD2-CA 3.4Å; D351-W401 PolarHBondContact O-NE1 3.19Å; D351-W401 PolarHBondContact OD2-N 3.33Å
352	L	96.6	Very high	95	Very high	9 Å²	9	33.5 Å²	33.5	5%	0.047	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	138.4	177.7	-75.9	165.9	0	0	0	109.9	C300 A310 L360 I374	C300-L352 HydrophobicContact CB-CD1 4.48Å; C300-L352 WeakPolarHBondContact O-CD1 3.36Å; A310-L352 HydrophobicContact CB-CD1 3.92Å; A310-L352 HydrophobicContact CB-CD2 4.23Å; A310-L352 HydrophobicContact CB-CG 4.07Å; L352-L360 HydrophobicContact CD2-CB 3.98Å; L352-I374 HydrophobicContact CD2-CD1 3.81Å
353	H	96.2	Very high	95.3	Very high	8 Å²	8	27.7 Å²	27.7	4%	0.037	15%	0.149	C	C	.	.			trans	-68	131.4	-179.8	-172.9	-92.7	0	0	0	111.1	S355 L356 I359 W401	H353-S355 VanDerWaalsContact C-N 3.27Å; H353-S355 PolarHBondContact CE1-OG 3.31Å; H353-S355 PolarHBondContact ND1-N 2.99Å; H353-S355 PolarHBondContact ND1-OG 3.28Å; H353-S355 PolarHBondContact O-N 2.96Å; H353-S355 VanDerWaalsContact O-N 3.15Å; H353-L356 HydrophobicContact CB-CB 4.1Å; H353-L356 WeakPolarHBondContact CB-O 3.5Å; H353-L356 WeakPolarHBondContact ND1-CB 3.38Å; H353-L356 PolarHBondContact ND1-N 3.07Å; H353-L356 CarbonylContact O-C 3.56Å; H353-L356 PolarHBondContact O-N 3.01Å; H353-I359 HydrophobicContact CB-CB 4.37Å; H353-I359 PolarHBondContact N-O 3.32Å; H353-W401 HydrophobicContact CB-CD2 4.36Å; H353-W401 HydrophobicContact CB-CG 4.39Å; H353-W401 AromaticContact CD2-CD2 3.62Å; H353-W401 AromaticContact CD2-CE3 3.72Å; H353-W401 AromaticContact CD2-CG 3.91Å
354	P	92.9	Very high	95.4	Very high	79 Å²	79	27.6 Å²	27.6	51%	0.513	15%	0.148	S	C	.	.	S	Bend	trans	-65	-23.8	-169.9	23.2	-35	0	0	0	114.8	S303	S303-P354 VanDerWaalsContact OG-C 3.29Å; S303-P354 WeakPolarHBondContact OG-CA 3.29Å; S303-P354 PolarHBondContact OG-O 3.17Å
355	S	92.4	Very high	95.6	Very high	77 Å²	77	21.8 Å²	21.8	54%	0.538	12%	0.119	S	C	.	.	S	Bend	trans	-115.6	-10	176.1	64.6	0	0	0	0	114.5	H353	H353-S355 VanDerWaalsContact C-N 3.27Å; H353-S355 PolarHBondContact CE1-OG 3.31Å; H353-S355 PolarHBondContact ND1-N 2.99Å; H353-S355 PolarHBondContact ND1-OG 3.28Å; H353-S355 PolarHBondContact O-N 2.96Å; H353-S355 VanDerWaalsContact O-N 3.15Å
356	L	92.9	Very high	95.6	Very high	47 Å²	47	23.8 Å²	23.8	25%	0.246	13%	0.128	C	C	.	.			trans	-126.3	77.9	-176.3	-59.4	177.2	0	0	0	108.3	H353 Y358 I359 L410	H353-L356 HydrophobicContact CB-CB 4.1Å; H353-L356 WeakPolarHBondContact CB-O 3.5Å; H353-L356 WeakPolarHBondContact ND1-CB 3.38Å; H353-L356 PolarHBondContact ND1-N 3.07Å; H353-L356 CarbonylContact O-C 3.56Å; H353-L356 PolarHBondContact O-N 3.01Å; L356-Y358 HydrophobicContact CB-CE1 4.05Å; L356-Y358 HydrophobicContact CD2-CE1 3.93Å; L356-Y358 PolarHBondContact O-N 2.67Å; L356-I359 HydrophobicContact CB-CB 4.48Å; L356-I359 HydrophobicContact CB-CD1 4.34Å; L356-I359 HydrophobicContact CB-CG1 4.34Å; L356-I359 HydrophobicContact CD1-CD1 3.9Å; L356-I359 PolarHBondContact O-N 2.9Å; L356-L410 HydrophobicContact CD1-CD1 4.43Å; L356-L410 HydrophobicContact CD1-CD2 4.41Å
357	P	89.3	Confident	95.6	Very high	12 Å²	12	23.7 Å²	23.7	8%	0.078	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.9	-168.6	29.2	-39.4	0	0	0	113.9	Q304 Y305 I374	Q304-P357 HydrophobicContact CB-CB 4.42Å; Q304-P357 HydrophobicContact CB-CG 4.33Å; Y305-P357 HydrophobicContact CD2-CB 3.97Å; Y305-P357 HydrophobicContact CD2-CG 4.04Å; Y305-P357 HydrophobicContact CE2-CB 4.01Å; Y305-P357 HydrophobicContact CE2-CG 3.56Å; P357-I374 WeakPolarHBondContact O-CD1 3.25Å
358	Y	90.9	Very high	95.6	Very high	93 Å²	93	23.9 Å²	23.9	37%	0.365	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-2.6	176.3	62.4	-90.9	0	0	0	113.7	L356 S373 I374 L375	L356-Y358 HydrophobicContact CB-CE1 4.05Å; L356-Y358 HydrophobicContact CD2-CE1 3.93Å; L356-Y358 PolarHBondContact O-N 2.67Å; Y358-S373 CarbonylContact O-C 3.46Å; Y358-S373 WeakPolarHBondContact O-CA 3.47Å; Y358-S373 PolarHBondContact O-OG 2.97Å; Y358-I374 PolarHBondContact O-N 2.95Å; Y358-L375 HydrophobicContact CD1-CD1 4.34Å; Y358-L375 HydrophobicContact CD2-CD1 4.28Å; Y358-L375 HydrophobicContact CG-CD1 3.82Å; Y358-L375 HydrophobicContact CG-CG 4.45Å
359	I	94.7	Very high	95.6	Very high	14 Å²	14	23.7 Å²	23.7	7%	0.072	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.2	177	-57.3	-175.1	0	0	0	109	H353 L356 V371 Y372 W401 L410	H353-I359 HydrophobicContact CB-CB 4.37Å; H353-I359 PolarHBondContact N-O 3.32Å; L356-I359 HydrophobicContact CB-CB 4.48Å; L356-I359 HydrophobicContact CB-CD1 4.34Å; L356-I359 HydrophobicContact CB-CG1 4.34Å; L356-I359 HydrophobicContact CD1-CD1 3.9Å; L356-I359 PolarHBondContact O-N 2.9Å; I359-V371 HydrophobicContact CG2-CG1 3.59Å; I359-Y372 WeakPolarHBondContact CA-O 3.34Å; I359-W401 HydrophobicContact CG2-CH2 4.27Å; I359-W401 HydrophobicContact CG2-CZ2 3.85Å; I359-L410 HydrophobicContact CD1-CD1 4.29Å
360	L	96.3	Very high	95.5	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	149.5	169.7	66.5	139.4	0	0	0	111.6	I326 L350 D351 L352 V362 V371 Y372 I374	I326-L360 HydrophobicContact CD1-CD1 4.41Å; I326-L360 HydrophobicContact CG2-CD1 3.89Å; L350-L360 HydrophobicContact CB-CD1 4.17Å; D351-L360 VanDerWaalsContact O-CA 3.26Å; D351-L360 WeakPolarHBondContact O-CA 3.29Å; D351-L360 WeakPolarHBondContact O-CB 3.34Å; L352-L360 HydrophobicContact CD2-CB 3.98Å; L360-V362 HydrophobicContact CD1-CG2 3.36Å; L360-V362 HydrophobicContact CG-CG2 4.14Å; L360-V371 WeakPolarHBondContact O-CA 3.28Å; L360-Y372 PolarHBondContact N-O 2.98Å; L360-Y372 PolarHBondContact O-N 3.31Å; L360-I374 HydrophobicContact CD2-CD1 3.91Å; L360-I374 HydrophobicContact CD2-CG1 3.44Å; L360-I374 VanDerWaalsContact CD2-CG1 3.44Å
361	C	97.3	Very high	95.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	151.1	165.4	62.5	0	0	0	0	109.2	L350 D351 G370 V371 W401 F412	L350-C361 VanDerWaalsContact CA-O 3.24Å; L350-C361 WeakPolarHBondContact CA-O 3.43Å; D351-C361 PolarHBondContact N-O 3.29Å; D351-C361 PolarHBondContact O-N 3.45Å; C361-G370 CarbonylContact C-O 3.57Å; C361-G370 WeakPolarHBondContact CA-O 3.27Å; C361-V371 HydrophobicContact CB-CG2 4.25Å; C361-W401 HydrophobicContact CB-CH2 4.29Å; C361-W401 HydrophobicContact CB-CZ2 3.6Å; C361-W401 PolarHBondContact SG-NE1 3.41Å; C361-W401 VanDerWaalsContact SG-NE1 3.4Å; C361-F412 HydrophobicContact CB-CB 4.45Å; C361-F412 HydrophobicContact CB-CD1 4.22Å; C361-F412 HydrophobicContact CB-CD2 3.95Å; C361-F412 HydrophobicContact CB-CE1 4.45Å; C361-F412 HydrophobicContact CB-CE2 4.2Å; C361-F412 HydrophobicContact CB-CG 3.95Å; C361-F412 HydrophobicContact CB-CZ 4.43Å
362	V	97.9	Very high	95.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	134.7	-171.3	-174.2	0	0	0	0	109.6	I326 V347 S349 L350 L360 F364 V369 G370 Y372	I326-V362 HydrophobicContact CD1-CG1 4.29Å; I326-V362 HydrophobicContact CD1-CG2 3.74Å; V347-V362 HydrophobicContact CB-CG1 4.37Å; V347-V362 HydrophobicContact CG1-CG1 3.69Å; V347-V362 HydrophobicContact CG2-CG1 4.03Å; S349-V362 CarbonylContact O-C 3.48Å; S349-V362 WeakPolarHBondContact O-CA 3.34Å; L350-V362 HydrophobicContact CB-CG2 4.45Å; L360-V362 HydrophobicContact CD1-CG2 3.36Å; L360-V362 HydrophobicContact CG-CG2 4.14Å; V362-F364 HydrophobicContact CB-CE2 4.27Å; V362-F364 HydrophobicContact CB-CZ 4.03Å; V362-F364 HydrophobicContact CG1-CD1 4.27Å; V362-F364 HydrophobicContact CG1-CE1 3.66Å; V362-F364 HydrophobicContact CG1-CE2 4.08Å; V362-F364 HydrophobicContact CG1-CZ 3.54Å; V362-V369 CarbonylContact O-C 3.54Å; V362-V369 VanDerWaalsContact O-CA 3.28Å; V362-V369 WeakPolarHBondContact O-CA 3.47Å; V362-G370 PolarHBondContact N-O 3.3Å; V362-G370 PolarHBondContact O-N 3.4Å; V362-Y372 HydrophobicContact CB-CD2 4.29Å; V362-Y372 HydrophobicContact CB-CE2 4.26Å; V362-Y372 HydrophobicContact CG2-CD2 3.72Å; V362-Y372 HydrophobicContact CG2-CE2 4.13Å
363	G	97.8	Very high	95.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.9	168.8	0	0	0	0	0	111.5	L348 S349	L348-G363 PolarHBondContact N-O 3.33Å; S349-G363 PolarHBondContact N-O 3.19Å; S349-G363 PolarHBondContact O-N 2.96Å
364	F	97.7	Very high	94.7	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.018	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	160.2	-176.4	-62.7	-71	0	0	0	113	T343 S345 G346 V347 V362 D366 G367 A368 Y372 L384 V396	T343-F364 HydrophobicContact CG2-CE1 3.75Å; T343-F364 HydrophobicContact CG2-CZ 4.04Å; S345-F364 WeakPolarHBondContact O-CD1 3.44Å; G346-F364 WeakPolarHBondContact O-CA 3.45Å; V347-F364 HydrophobicContact CG2-CD1 4.33Å; V347-F364 HydrophobicContact CG2-CE1 3.88Å; V362-F364 HydrophobicContact CB-CE2 4.27Å; V362-F364 HydrophobicContact CB-CZ 4.03Å; V362-F364 HydrophobicContact CG1-CD1 4.27Å; V362-F364 HydrophobicContact CG1-CE1 3.66Å; V362-F364 HydrophobicContact CG1-CE2 4.08Å; V362-F364 HydrophobicContact CG1-CZ 3.54Å; F364-D366 VanDerWaalsContact C-N 3.29Å; F364-D366 WeakPolarHBondContact CB-OD1 3.42Å; F364-D366 PolarHBondContact O-N 2.69Å; F364-G367 PolarHBondContact O-N 2.87Å; F364-A368 HydrophobicContact CB-CB 4.32Å; F364-A368 WeakPolarHBondContact CB-O 3.26Å; F364-A368 HydrophobicContact CD2-CB 3.9Å; F364-A368 VanDerWaalsContact CD2-O 3.26Å; F364-A368 WeakPolarHBondContact CD2-O 3.47Å; F364-A368 PolarHBondContact N-O 3.07Å; F364-Y372 HydrophobicContact CE2-CE2 4.07Å; F364-Y372 AromaticContact CZ-CE2 3.61Å; F364-Y372 HydrophobicContact CZ-CE2 3.61Å; F364-Y372 AromaticContact CZ-CZ 3.85Å; F364-Y372 WeakPolarHBondContact CZ-OH 3.29Å; F364-L384 HydrophobicContact CD2-CD1 4.36Å; F364-L384 HydrophobicContact CE2-CD1 3.93Å; F364-V396 PolarHBondContact O-N 3.47Å
365	Y	96.7	Very high	94.4	Very high	55 Å²	55	24.1 Å²	24.1	22%	0.216	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-31.9	176.6	-178	-93.5	0	0	0	113.6	F318 Q321 G346 L348 G367 P395	F318-Y365 VanDerWaalsContact CD2-OH 3.3Å; F318-Y365 WeakPolarHBondContact CD2-OH 3.3Å; Q321-Y365 VanDerWaalsContact CD-CE1 3.47Å; Q321-Y365 VanDerWaalsContact CD-CE2 3.48Å; Q321-Y365 HydrophobicContact CG-CD1 4Å; Q321-Y365 HydrophobicContact CG-CE1 3.55Å; Q321-Y365 HydrophobicContact CG-CE2 4.37Å; Q321-Y365 VanDerWaalsContact NE2-CE2 3.25Å; Q321-Y365 VanDerWaalsContact OE1-CG 3.26Å; G346-Y365 PolarHBondContact O-N 2.96Å; L348-Y365 HydrophobicContact CD1-CD2 4.1Å; Y365-G367 PolarHBondContact O-N 3.01Å; Y365-P395 HydrophobicContact CD2-CB 4.26Å; Y365-P395 HydrophobicContact CD2-CG 3.75Å; Y365-P395 HydrophobicContact CE2-CG 3.68Å; Y365-P395 HydrophobicContact CG-CG 4.34Å; Y365-P395 WeakPolarHBondContact O-CA 3.26Å; Y365-P395 WeakPolarHBondContact O-CG 3.48Å
366	D	95	Very high	93.4	Very high	62 Å²	62	23.5 Å²	23.5	33%	0.332	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	12.1	-178.5	74.2	-56	0	0	0	113.9	S345 F364 A368 K391	S345-D366 WeakPolarHBondContact CB-OD1 3.29Å; S345-D366 PolarHBondContact OG-N 3.07Å; S345-D366 PolarHBondContact OG-OD1 3.11Å; F364-D366 VanDerWaalsContact C-N 3.29Å; F364-D366 WeakPolarHBondContact CB-OD1 3.42Å; F364-D366 PolarHBondContact O-N 2.69Å; D366-A368 VanDerWaalsContact C-N 3.28Å; D366-A368 PolarHBondContact O-N 3.02Å; D366-K391 PolarHBondContact O-NZ 3.12Å; D366-K391 IonicContact OD2-NZ 3.77Å; D366-K391 PolarHBondContact OD2-NZ 3.13Å
367	G	96	Very high	92.1	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	82.5	-2.9	-179.3	0	0	0	0	0	114.9	F364 Y365 H392 D394	F364-G367 PolarHBondContact O-N 2.87Å; Y365-G367 PolarHBondContact O-N 3.01Å; G367-H392 WeakPolarHBondContact CA-O 3.31Å; G367-H392 WeakPolarHBondContact O-CB 3.24Å; G367-H392 PolarHBondContact O-N 3.32Å; G367-D394 WeakPolarHBondContact CA-O 3.25Å
368	A	97	Very high	91	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.033	17%	0.172	C	C	.	.			trans	-72	141.6	173.1	0	0	0	0	0	110.9	F364 D366 L384 S385 K391	F364-A368 HydrophobicContact CB-CB 4.32Å; F364-A368 WeakPolarHBondContact CB-O 3.26Å; F364-A368 HydrophobicContact CD2-CB 3.9Å; F364-A368 VanDerWaalsContact CD2-O 3.26Å; F364-A368 WeakPolarHBondContact CD2-O 3.47Å; F364-A368 PolarHBondContact N-O 3.07Å; D366-A368 VanDerWaalsContact C-N 3.28Å; D366-A368 PolarHBondContact O-N 3.02Å; A368-L384 HydrophobicContact CB-CD1 4.29Å; A368-S385 WeakPolarHBondContact CA-OG 3.4Å; A368-K391 HydrophobicContact CB-CD 4.42Å
369	V	97.5	Very high	90	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	147.7	156	-61.2	0	0	0	0	110.4	V362 S385 V396 V399 F412 W424 I431	V362-V369 CarbonylContact O-C 3.54Å; V362-V369 VanDerWaalsContact O-CA 3.28Å; V362-V369 WeakPolarHBondContact O-CA 3.47Å; V369-S385 WeakPolarHBondContact CG2-OG 3.35Å; V369-S385 PolarHBondContact N-OG 3.04Å; V369-S385 PolarHBondContact O-N 3.48Å; V369-S385 PolarHBondContact O-OG 2.83Å; V369-V396 HydrophobicContact CG1-CG1 4.06Å; V369-V396 HydrophobicContact CG1-CG2 4.18Å; V369-V399 HydrophobicContact CG1-CG1 4.45Å; V369-F412 HydrophobicContact CB-CE2 3.99Å; V369-F412 HydrophobicContact CB-CZ 4.12Å; V369-F412 HydrophobicContact CG1-CE2 4.3Å; V369-F412 HydrophobicContact CG2-CE2 4.14Å; V369-F412 HydrophobicContact CG2-CZ 3.93Å; V369-W424 HydrophobicContact CG1-CZ2 4.19Å; V369-W424 HydrophobicContact CG2-CD2 3.52Å; V369-W424 VanDerWaalsContact CG2-CE2 3.45Å; V369-W424 HydrophobicContact CG2-CE3 3.75Å; V369-W424 HydrophobicContact CG2-CG 4.09Å; V369-W424 HydrophobicContact CG2-CH2 3.87Å; V369-W424 HydrophobicContact CG2-CZ2 3.65Å; V369-W424 HydrophobicContact CG2-CZ3 3.91Å; V369-I431 HydrophobicContact CG2-CD1 4.22Å
370	G	95.5	Very high	89.5	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	161.3	174.9	0	0	0	0	0	112.8	C361 V362 Y383	C361-G370 CarbonylContact C-O 3.57Å; C361-G370 WeakPolarHBondContact CA-O 3.27Å; V362-G370 PolarHBondContact N-O 3.3Å; V362-G370 PolarHBondContact O-N 3.4Å; G370-Y383 CarbonylContact C-O 3.2Å; G370-Y383 WeakPolarHBondContact CA-O 3.4Å
371	V	96	Very high	89.3	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130	173.5	177.2	0	0	0	0	108	I359 L360 C361 L382 Y383 W401 F412 L426	I359-V371 HydrophobicContact CG2-CG1 3.59Å; L360-V371 WeakPolarHBondContact O-CA 3.28Å; C361-V371 HydrophobicContact CB-CG2 4.25Å; V371-L382 WeakPolarHBondContact O-CA 3.34Å; V371-L382 WeakPolarHBondContact O-CB 3.44Å; V371-L382 PolarHBondContact O-N 3.15Å; V371-Y383 HydrophobicContact CB-CD2 4.16Å; V371-Y383 HydrophobicContact CG1-CD2 4.46Å; V371-Y383 PolarHBondContact N-O 3.13Å; V371-Y383 PolarHBondContact O-N 3.4Å; V371-W401 HydrophobicContact CG1-CH2 4.2Å; V371-W401 HydrophobicContact CG1-CZ2 4.28Å; V371-W401 HydrophobicContact CG2-CH2 4.11Å; V371-W401 HydrophobicContact CG2-CZ2 4.43Å; V371-F412 HydrophobicContact CG2-CD1 4.27Å; V371-F412 HydrophobicContact CG2-CE1 3.59Å; V371-F412 HydrophobicContact CG2-CZ 4.11Å; V371-L426 HydrophobicContact CB-CD1 4.42Å; V371-L426 HydrophobicContact CG1-CD1 4.1Å; V371-L426 HydrophobicContact CG2-CD1 4.08Å; V371-L426 HydrophobicContact CG2-CD2 4.01Å
372	Y	94.7	Very high	89	Confident	12 Å²	12	45 Å²	45	5%	0.047	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	148.5	-176.1	-68.8	-98.7	0	0	0	109.9	I326 L341 T343 I359 L360 V362 F364 P381	I326-Y372 HydrophobicContact CD1-CD2 4.08Å; I326-Y372 HydrophobicContact CD1-CE2 4.24Å; I326-Y372 HydrophobicContact CD1-CG 4.24Å; L341-Y372 HydrophobicContact CD1-CD1 3.89Å; L341-Y372 HydrophobicContact CD1-CG 4.24Å; T343-Y372 HydrophobicContact CG2-CE1 4.43Å; I359-Y372 WeakPolarHBondContact CA-O 3.34Å; L360-Y372 PolarHBondContact N-O 2.98Å; L360-Y372 PolarHBondContact O-N 3.31Å; V362-Y372 HydrophobicContact CB-CD2 4.29Å; V362-Y372 HydrophobicContact CB-CE2 4.26Å; V362-Y372 HydrophobicContact CG2-CD2 3.72Å; V362-Y372 HydrophobicContact CG2-CE2 4.13Å; F364-Y372 HydrophobicContact CE2-CE2 4.07Å; F364-Y372 AromaticContact CZ-CE2 3.61Å; F364-Y372 HydrophobicContact CZ-CE2 3.61Å; F364-Y372 AromaticContact CZ-CZ 3.85Å; F364-Y372 WeakPolarHBondContact CZ-OH 3.29Å; Y372-P381 HydrophobicContact CD1-CB 4.12Å; Y372-P381 HydrophobicContact CD2-CB 4.5Å; Y372-P381 HydrophobicContact CE1-CB 3.65Å; Y372-P381 HydrophobicContact CE1-CG 4.29Å; Y372-P381 HydrophobicContact CE2-CB 4.03Å
373	S	93	Very high	88.8	Confident	15 Å²	15	47.3 Å²	47.3	11%	0.105	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	126.8	164.8	-177.7	0	0	0	0	110.8	Y358 L375 Q376	Y358-S373 CarbonylContact O-C 3.46Å; Y358-S373 WeakPolarHBondContact O-CA 3.47Å; Y358-S373 PolarHBondContact O-OG 2.97Å; S373-L375 PolarHBondContact O-N 2.9Å; S373-L375 PolarHBondContact OG-N 3.3Å; S373-Q376 PolarHBondContact O-N 3.28Å
374	I	88.2	Confident	88.7	Confident	13 Å²	13	50.4 Å²	50.4	7%	0.067	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-30.9	178.2	-56.7	-180	0	0	0	111.3	A328 Y339 L352 P357 Y358 L360 Q376	A328-I374 HydrophobicContact CB-CD1 4.39Å; A328-I374 HydrophobicContact CB-CG2 4.22Å; Y339-I374 VanDerWaalsContact CB-CG2 3.47Å; Y339-I374 HydrophobicContact CD1-CG2 3.84Å; Y339-I374 WeakPolarHBondContact CD1-O 3.43Å; Y339-I374 HydrophobicContact CD2-CG2 3.16Å; Y339-I374 HydrophobicContact CE1-CG2 4.39Å; Y339-I374 HydrophobicContact CE2-CG2 3.79Å; Y339-I374 HydrophobicContact CG-CG2 3.2Å; L352-I374 HydrophobicContact CD2-CD1 3.81Å; P357-I374 WeakPolarHBondContact O-CD1 3.25Å; Y358-I374 PolarHBondContact O-N 2.95Å; L360-I374 HydrophobicContact CD2-CD1 3.91Å; L360-I374 HydrophobicContact CD2-CG1 3.44Å; L360-I374 VanDerWaalsContact CD2-CG1 3.44Å; I374-Q376 VanDerWaalsContact C-N 3.33Å
375	L	84.7	Confident	88.6	Confident	96 Å²	96	50.3 Å²	50.3	50%	0.503	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-13.1	-178	-66.1	173.9	0	0	0	113.5	Y339 Y358 S373 H377	Y339-L375 HydrophobicContact CE1-CD2 4.49Å; Y358-L375 HydrophobicContact CD1-CD1 4.34Å; Y358-L375 HydrophobicContact CD2-CD1 4.28Å; Y358-L375 HydrophobicContact CG-CD1 3.82Å; Y358-L375 HydrophobicContact CG-CG 4.45Å; S373-L375 PolarHBondContact O-N 2.9Å; S373-L375 PolarHBondContact OG-N 3.3Å; L375-H377 PolarHBondContact O-N 3.5Å
376	Q	73.1	Confident	88.4	Confident	64 Å²	64	50.1 Å²	50.1	30%	0.299	27%	0.27	S	S	.	.			trans	-79.1	116.9	-172.3	-171	167.6	2.9	0	0	110.6	S373 I374 K378	S373-Q376 PolarHBondContact O-N 3.28Å; I374-Q376 VanDerWaalsContact C-N 3.33Å; Q376-K378 HydrophobicContact CG-CB 3.91Å; Q376-K378 PolarHBondContact O-N 3.35Å
377	H	65.8	Low	88.2	Confident	184 Å²	184	51.5 Å²	51.5	85%	0.852	29%	0.29	S	S	*	.			trans	-71.7	-15.7	173.8	-68.5	-69.9	0	0	0	113.5	L375 S379	L375-H377 PolarHBondContact O-N 3.5Å; H377-S379 PolarHBondContact O-N 3.47Å
378	K	64.7	Low	87.9	Confident	161 Å²	161	62.3 Å²	62.3	70%	0.7	33%	0.331	S	S	*	.	S	Bend	trans	-74.5	125.3	174.8	-65	-174	177.5	-179.3	0	108.8	Q376 G380	Q376-K378 HydrophobicContact CG-CB 3.91Å; Q376-K378 PolarHBondContact O-N 3.35Å; K378-G380 PolarHBondContact O-N 3.47Å
379	S	70.7	Confident	87.6	Confident	124 Å²	124	63.8 Å²	63.8	87%	0.867	34%	0.339	S	S	*	.	S	Bend	trans	-63.1	115.9	171.6	-177.2	0	0	0	0	109.1	H377	H377-S379 PolarHBondContact O-N 3.47Å
380	G	84.1	Confident	87.2	Confident	30 Å²	30	64.2 Å²	64.2	31%	0.309	34%	0.344	S	S	.	.	S	Bend	trans	141.6	164.3	172.3	0	0	0	0	0	114.7	K378	K378-G380 PolarHBondContact O-N 3.47Å
381	P	91	Very high	87.1	Confident	48 Å²	48	67.5 Å²	67.5	31%	0.312	36%	0.358	S	S	.	.			trans	-70.7	152.4	174.6	25.3	-30.1	0	0	0	112.6	Y372 Y383 L384	Y372-P381 HydrophobicContact CD1-CB 4.12Å; Y372-P381 HydrophobicContact CD2-CB 4.5Å; Y372-P381 HydrophobicContact CE1-CB 3.65Å; Y372-P381 HydrophobicContact CE1-CG 4.29Å; Y372-P381 HydrophobicContact CE2-CB 4.03Å; P381-Y383 WeakPolarHBondContact CB-O 3.07Å; P381-L384 HydrophobicContact CB-CB 4.16Å; P381-L384 HydrophobicContact CG-CB 3.71Å; P381-L384 HydrophobicContact CG-CD1 4.44Å; P381-L384 HydrophobicContact CG-CD2 4.17Å; P381-L384 HydrophobicContact CG-CG 4.33Å
382	L	92.1	Very high	87.2	Confident	73 Å²	73	67.6 Å²	67.6	38%	0.382	36%	0.358	S	S	.	.	S	Bend	trans	-69.9	-43.5	164.6	-72.4	175.4	0	0	0	110.8	V371	V371-L382 WeakPolarHBondContact O-CA 3.34Å; V371-L382 WeakPolarHBondContact O-CB 3.44Å; V371-L382 PolarHBondContact O-N 3.15Å
383	Y	93.7	Very high	87.2	Confident	47 Å²	47	71.9 Å²	71.9	18%	0.184	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	138.9	176.3	-60.1	-97.4	0	0	0	108.5	G370 V371 P381 L426 K428	G370-Y383 CarbonylContact C-O 3.2Å; G370-Y383 WeakPolarHBondContact CA-O 3.4Å; V371-Y383 HydrophobicContact CB-CD2 4.16Å; V371-Y383 HydrophobicContact CG1-CD2 4.46Å; V371-Y383 PolarHBondContact N-O 3.13Å; V371-Y383 PolarHBondContact O-N 3.4Å; P381-Y383 WeakPolarHBondContact CB-O 3.07Å; Y383-L426 HydrophobicContact CD1-CD2 4.16Å; Y383-L426 HydrophobicContact CD2-CD1 4Å; Y383-L426 HydrophobicContact CD2-CD2 4Å; Y383-L426 HydrophobicContact CD2-CG 4.49Å; Y383-L426 HydrophobicContact CE1-CB 4.39Å; Y383-L426 HydrophobicContact CE2-CB 4.34Å; Y383-L426 HydrophobicContact CE2-CD1 3.92Å; Y383-L426 HydrophobicContact CE2-CD2 4.39Å; Y383-L426 HydrophobicContact CE2-CG 4.46Å; Y383-L426 HydrophobicContact CG-CD2 3.88Å; Y383-K428 PolarHBondContact OH-O 2.86Å
384	L	94.5	Very high	87.3	Confident	65 Å²	65	74.6 Å²	74.6	34%	0.34	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	124.2	174.7	-173.5	68.7	0	0	0	108.8	F364 A368 P381	F364-L384 HydrophobicContact CD2-CD1 4.36Å; F364-L384 HydrophobicContact CE2-CD1 3.93Å; A368-L384 HydrophobicContact CB-CD1 4.29Å; P381-L384 HydrophobicContact CB-CB 4.16Å; P381-L384 HydrophobicContact CG-CB 3.71Å; P381-L384 HydrophobicContact CG-CD1 4.44Å; P381-L384 HydrophobicContact CG-CD2 4.17Å; P381-L384 HydrophobicContact CG-CG 4.33Å
385	S	95.7	Very high	87.7	Confident	2 Å²	2	74.8 Å²	74.8	1%	0.014	40%	0.401	C	S	.	.			trans	-70.4	135.5	169.8	64.6	0	0	0	0	109.9	A368 V369 T389 G390	A368-S385 WeakPolarHBondContact CA-OG 3.4Å; V369-S385 WeakPolarHBondContact CG2-OG 3.35Å; V369-S385 PolarHBondContact N-OG 3.04Å; V369-S385 PolarHBondContact O-N 3.48Å; V369-S385 PolarHBondContact O-OG 2.83Å; S385-T389 WeakPolarHBondContact CA-OG1 3.17Å; S385-G390 WeakPolarHBondContact CB-O 3.48Å
386	T	93.2	Very high	88.3	Confident	51 Å²	51	70.2 Å²	70.2	31%	0.313	38%	0.377	S	S	.	.			trans	-126.8	171.5	179.3	59.3	0	0	0	0	108.8	R388 T389 G390 K391	T386-R388 PolarHBondContact O-N 3.49Å; T386-R388 PolarHBondContact OG1-N 3Å; T386-T389 PolarHBondContact N-OG1 3.08Å; T386-T389 PolarHBondContact O-N 2.89Å; T386-T389 PolarHBondContact O-OG1 3.09Å; T386-T389 PolarHBondContact OG1-N 3.05Å; T386-T389 PolarHBondContact OG1-OG1 3.49Å; T386-G390 CarbonylContact O-C 3.53Å; T386-G390 WeakPolarHBondContact O-CA 2.97Å; T386-G390 PolarHBondContact O-N 3.04Å; T386-K391 PolarHBondContact O-N 3.09Å
387	A	91.1	Very high	89.5	Confident	91 Å²	91	70.9 Å²	70.9	75%	0.752	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-26.9	172.5	0	0	0	0	0	113
388	R	89.9	Confident	91	Very high	228 Å²	228	62.6 Å²	62.6	86%	0.86	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-46.8	179.2	-176.7	179.9	63.4	-165.2	-3.1	113.5	T386 G390	T386-R388 PolarHBondContact O-N 3.49Å; T386-R388 PolarHBondContact OG1-N 3Å; R388-G390 PolarHBondContact O-N 3.01Å
389	T	89.2	Confident	92.6	Very high	35 Å²	35	55 Å²	55	22%	0.215	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-15.9	176.1	60.4	0	0	0	0	111.3	S385 T386	S385-T389 WeakPolarHBondContact CA-OG1 3.17Å; T386-T389 PolarHBondContact N-OG1 3.08Å; T386-T389 PolarHBondContact O-N 2.89Å; T386-T389 PolarHBondContact O-OG1 3.09Å; T386-T389 PolarHBondContact OG1-N 3.05Å; T386-T389 PolarHBondContact OG1-OG1 3.49Å
390	G	90.3	Very high	93.8	Very high	9 Å²	9	51.7 Å²	51.7	9%	0.093	28%	0.275	C	S	.	.			trans	93.2	124.8	-172.5	0	0	0	0	0	110.3	S385 T386 R388 W424	S385-G390 WeakPolarHBondContact CB-O 3.48Å; T386-G390 CarbonylContact O-C 3.53Å; T386-G390 WeakPolarHBondContact O-CA 2.97Å; T386-G390 PolarHBondContact O-N 3.04Å; R388-G390 PolarHBondContact O-N 3.01Å; G390-W424 VanDerWaalsContact O-CH2 3.28Å; G390-W424 WeakPolarHBondContact O-CH2 3.4Å; G390-W424 VanDerWaalsContact O-CZ3 3.31Å; G390-W424 WeakPolarHBondContact O-CZ3 3.47Å
391	K	93.8	Very high	94.4	Very high	68 Å²	68	51 Å²	51	30%	0.296	26%	0.262	S	S	.	.			trans	-126.6	169.6	171.1	62.5	166	-175.8	162.6	0	109.5	D366 A368 T386	D366-K391 PolarHBondContact O-NZ 3.12Å; D366-K391 IonicContact OD2-NZ 3.77Å; D366-K391 PolarHBondContact OD2-NZ 3.13Å; A368-K391 HydrophobicContact CB-CD 4.42Å; T386-K391 PolarHBondContact O-N 3.09Å
392	H	96.6	Very high	94.5	Very high	3 Å²	3	49.8 Å²	49.8	1%	0.014	25%	0.253	C	S	.	.			trans	-65.9	157.8	167.4	-71.7	-77.3	0	0	0	110.4	G367 V396 S414 S416 D418 T422 W424	G367-H392 WeakPolarHBondContact CA-O 3.31Å; G367-H392 WeakPolarHBondContact O-CB 3.24Å; G367-H392 PolarHBondContact O-N 3.32Å; H392-V396 HydrophobicContact CB-CG2 4.21Å; H392-S414 PolarHBondContact NE2-OG 2.94Å; H392-S416 VanDerWaalsContact ND1-CB 3.29Å; H392-S416 WeakPolarHBondContact ND1-CB 3.46Å; H392-D418 WeakPolarHBondContact CA-OD2 3.17Å; H392-D418 VanDerWaalsContact CB-OD2 3.31Å; H392-D418 WeakPolarHBondContact CB-OD2 3.24Å; H392-D418 IonicContact CE1-OD1 3.01Å; H392-D418 IonicContact CG-OD2 2.95Å; H392-D418 VanDerWaalsContact ND1-CG 3.34Å; H392-D418 IonicContact ND1-OD1 3.54Å; H392-D418 PolarHBondContact ND1-OD1 3.04Å; H392-D418 VanDerWaalsContact ND1-OD1 3.13Å; H392-D418 IonicContact ND1-OD2 3.22Å; H392-D418 PolarHBondContact ND1-OD2 2.78Å; H392-T422 PolarHBondContact CE1-OG1 2.96Å; H392-W424 AromaticContact CD2-CZ2 3.92Å; H392-W424 AromaticContact NE2-CZ2 3.87Å
393	T	95.1	Very high	94.5	Very high	103 Å²	103	49.9 Å²	49.9	63%	0.632	26%	0.257	S	S	*	.	S	Bend	trans	-86.1	-19.7	176.7	54.9	0	0	0	0	113.2	D418	T393-D418 PolarHBondContact N-OD2 3.31Å; T393-D418 WeakPolarHBondContact OG1-CB 3.33Å
394	D	94.9	Very high	94.4	Very high	71 Å²	71	51.2 Å²	51.2	38%	0.38	27%	0.268	S	S	.	.	S	Bend	trans	-134	170	-172.1	-72.2	-72.5	0	0	0	111.1	G367 V396 S416 A417 D418	G367-D394 WeakPolarHBondContact CA-O 3.25Å; D394-V396 PolarHBondContact O-N 2.78Å; D394-S416 VanDerWaalsContact C-OG 3.26Å; D394-S416 PolarHBondContact O-OG 2.84Å; D394-A417 HydrophobicContact CB-CB 3.84Å; D394-D418 HydrophobicContact CB-CB 4.07Å
395	P	97	Very high	94	Very high	17 Å²	17	50.1 Å²	50.1	11%	0.11	26%	0.262	C	S	.	.			trans	-46.6	135	-177.3	-35	39.4	0	0	0	115.3	L348 Y365 W397 S416 A417	L348-P395 HydrophobicContact CD1-CB 3.54Å; Y365-P395 HydrophobicContact CD2-CB 4.26Å; Y365-P395 HydrophobicContact CD2-CG 3.75Å; Y365-P395 HydrophobicContact CE2-CG 3.68Å; Y365-P395 HydrophobicContact CG-CG 4.34Å; Y365-P395 WeakPolarHBondContact O-CA 3.26Å; Y365-P395 WeakPolarHBondContact O-CG 3.48Å; P395-W397 HydrophobicContact CB-CD2 4.46Å; P395-W397 HydrophobicContact CB-CZ2 3.97Å; P395-W397 HydrophobicContact CG-CZ2 4.48Å; P395-W397 PolarHBondContact O-N 3.33Å; P395-S416 WeakPolarHBondContact O-CA 3.43Å; P395-S416 WeakPolarHBondContact O-CB 3.27Å; P395-S416 PolarHBondContact O-OG 2.79Å; P395-S416 VanDerWaalsContact O-OG 3.1Å; P395-A417 PolarHBondContact O-N 2.81Å; P395-A417 VanDerWaalsContact O-N 3.09Å
396	V	97.9	Very high	93.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	97.6	176.6	-173.6	0	0	0	0	110.5	L348 S349 F364 V369 H392 D394 V399 I415	L348-V396 WeakPolarHBondContact CB-O 3.34Å; S349-V396 PolarHBondContact OG-O 2.9Å; S349-V396 VanDerWaalsContact OG-O 3.11Å; F364-V396 PolarHBondContact O-N 3.47Å; V369-V396 HydrophobicContact CG1-CG1 4.06Å; V369-V396 HydrophobicContact CG1-CG2 4.18Å; H392-V396 HydrophobicContact CB-CG2 4.21Å; D394-V396 PolarHBondContact O-N 2.78Å; V396-V399 HydrophobicContact CG1-CG1 3.85Å; V396-I415 CarbonylContact C-O 3.54Å; V396-I415 WeakPolarHBondContact CA-O 3.14Å; V396-I415 WeakPolarHBondContact CG1-O 3.46Å
397	W	97.6	Very high	93.4	Very high	79 Å²	79	62.5 Å²	62.5	30%	0.299	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	-28.6	-170.7	-66.2	112.6	0	0	0	115.2	Y316 L348 S349 P395 I415 T461	Y316-W397 HydrophobicContact CD1-CH2 4.47Å; Y316-W397 AromaticContact CD1-CZ3 3.99Å; Y316-W397 HydrophobicContact CD1-CZ3 3.99Å; Y316-W397 AromaticContact CE1-CZ3 3.87Å; Y316-W397 HydrophobicContact CE1-CZ3 3.87Å; L348-W397 HydrophobicContact CD1-CE3 4.1Å; L348-W397 HydrophobicContact CD1-CZ3 4.04Å; L348-W397 HydrophobicContact CD2-CZ3 4.17Å; S349-W397 WeakPolarHBondContact CB-O 3.4Å; P395-W397 HydrophobicContact CB-CD2 4.46Å; P395-W397 HydrophobicContact CB-CZ2 3.97Å; P395-W397 HydrophobicContact CG-CZ2 4.48Å; P395-W397 PolarHBondContact O-N 3.33Å; W397-I415 HydrophobicContact CB-CG2 4.42Å; W397-I415 PolarHBondContact N-O 3.01Å; W397-T461 WeakPolarHBondContact CB-O 3.23Å
398	E	97.8	Very high	93.3	Very high	9 Å²	9	61.6 Å²	61.6	4%	0.042	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	146.5	176.2	-167.6	160.4	-163.5	0	0	111	S349 R400 S414 I415 A462 F463 R506	S349-E398 VanDerWaalsContact CB-CA 3.5Å; E398-R400 HydrophobicContact CG-CG 4.34Å; E398-R400 IonicContact OE1-CZ 3.69Å; E398-R400 VanDerWaalsContact OE1-CZ 3.32Å; E398-R400 IonicContact OE1-NE 2.65Å; E398-R400 PolarHBondContact OE1-NE 3.2Å; E398-R400 IonicContact OE1-NH2 3.41Å; E398-R400 PolarHBondContact OE1-NH2 2.7Å; E398-S414 VanDerWaalsContact O-CA 3.27Å; E398-S414 WeakPolarHBondContact O-CA 3.27Å; E398-I415 HydrophobicContact CB-CG2 3.72Å; E398-I415 PolarHBondContact O-N 2.79Å; E398-A462 VanDerWaalsContact OE2-CA 3.25Å; E398-A462 WeakPolarHBondContact OE2-CA 3.18Å; E398-A462 WeakPolarHBondContact OE2-CB 3.31Å; E398-F463 HydrophobicContact CB-CD1 3.92Å; E398-F463 HydrophobicContact CB-CE1 3.85Å; E398-F463 VanDerWaalsContact CD-O 3.29Å; E398-F463 HydrophobicContact CG-CD1 4.14Å; E398-F463 HydrophobicContact CG-CE1 3.95Å; E398-F463 WeakPolarHBondContact O-CE1 3.22Å; E398-F463 PolarHBondContact OE2-N 2.91Å; E398-F463 VanDerWaalsContact OE2-O 3.11Å; E398-R506 IonicContact OE1-NH1 3.99Å
399	V	98	Very high	93.5	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	142.4	171.7	-65.6	0	0	0	0	108.8	S349 D351 V369 V396 F413	S349-V399 PolarHBondContact OG-N 3.34Å; D351-V399 HydrophobicContact CB-CG2 4.46Å; D351-V399 WeakPolarHBondContact CB-O 3.41Å; V369-V399 HydrophobicContact CG1-CG1 4.45Å; V396-V399 HydrophobicContact CG1-CG1 3.85Å; V399-F413 CarbonylContact C-O 3.6Å; V399-F413 VanDerWaalsContact CA-O 3.25Å; V399-F413 WeakPolarHBondContact CA-O 3.47Å
400	R	97	Very high	93.8	Very high	56 Å²	56	52.5 Å²	52.5	21%	0.211	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	132.7	179	-67.3	-63.8	-179.1	173.6	2.1	112.2	D351 E398 F412 F413 F463 F465	D351-R400 IonicContact OD1-NH1 3.03Å; D351-R400 PolarHBondContact OD1-NH1 3.15Å; D351-R400 WeakPolarHBondContact OD2-CA 3.4Å; E398-R400 HydrophobicContact CG-CG 4.34Å; E398-R400 IonicContact OE1-CZ 3.69Å; E398-R400 VanDerWaalsContact OE1-CZ 3.32Å; E398-R400 IonicContact OE1-NE 2.65Å; E398-R400 PolarHBondContact OE1-NE 3.2Å; E398-R400 IonicContact OE1-NH2 3.41Å; E398-R400 PolarHBondContact OE1-NH2 2.7Å; R400-F412 CarbonylContact O-C 3.55Å; R400-F412 VanDerWaalsContact O-CA 3.29Å; R400-F412 WeakPolarHBondContact O-CA 3.36Å; R400-F412 WeakPolarHBondContact O-CB 3.27Å; R400-F413 PolarHBondContact N-O 2.96Å; R400-F413 PolarHBondContact O-N 2.87Å; R400-F463 HydrophobicContact CB-CE2 3.82Å; R400-F463 HydrophobicContact CB-CZ 3.77Å; R400-F463 HydrophobicContact CG-CE2 3.85Å; R400-F463 HydrophobicContact CG-CZ 3.78Å; R400-F465 HydrophobicContact CB-CD2 4.24Å; R400-F465 HydrophobicContact CB-CE2 4.11Å
401	W	96.4	Very high	94	Very high	15 Å²	15	52.9 Å²	52.9	6%	0.057	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	147.1	170.1	-72.7	104.5	0	0	0	111.5	D351 H353 I359 C361 V371 L410 F412 L426	D351-W401 PolarHBondContact O-NE1 3.19Å; D351-W401 PolarHBondContact OD2-N 3.33Å; H353-W401 HydrophobicContact CB-CD2 4.36Å; H353-W401 HydrophobicContact CB-CG 4.39Å; H353-W401 AromaticContact CD2-CD2 3.62Å; H353-W401 AromaticContact CD2-CE3 3.72Å; H353-W401 AromaticContact CD2-CG 3.91Å; I359-W401 HydrophobicContact CG2-CH2 4.27Å; I359-W401 HydrophobicContact CG2-CZ2 3.85Å; C361-W401 HydrophobicContact CB-CH2 4.29Å; C361-W401 HydrophobicContact CB-CZ2 3.6Å; C361-W401 PolarHBondContact SG-NE1 3.41Å; C361-W401 VanDerWaalsContact SG-NE1 3.4Å; V371-W401 HydrophobicContact CG1-CH2 4.2Å; V371-W401 HydrophobicContact CG1-CZ2 4.28Å; V371-W401 HydrophobicContact CG2-CH2 4.11Å; V371-W401 HydrophobicContact CG2-CZ2 4.43Å; W401-L410 HydrophobicContact CZ3-CB 3.93Å; W401-F412 HydrophobicContact CD2-CB 4.07Å; W401-F412 HydrophobicContact CE3-CB 3.7Å; W401-F412 HydrophobicContact CE3-CD1 4.41Å; W401-F412 HydrophobicContact CE3-CG 4.49Å; W401-F412 AromaticContact CH2-CD1 3.98Å; W401-F412 HydrophobicContact CH2-CD1 3.98Å; W401-F412 HydrophobicContact CZ3-CB 3.98Å; W401-F412 AromaticContact CZ3-CD1 3.81Å; W401-F412 HydrophobicContact CZ3-CD1 3.81Å; W401-F412 HydrophobicContact CZ3-CG 4.32Å; W401-L426 HydrophobicContact CH2-CD1 4.11Å
402	Q	93.2	Very high	94.1	Very high	23 Å²	23	49.6 Å²	49.6	11%	0.107	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	162.9	171	-86	-69.9	-56.9	0	0	109.6	N411 F413 F465 K487	Q402-N411 PolarHBondContact N-O 3.31Å; Q402-N411 VanDerWaalsContact O-O 3.1Å; Q402-F413 HydrophobicContact CB-CD2 4.23Å; Q402-F413 HydrophobicContact CB-CE2 4.22Å; Q402-F413 HydrophobicContact CG-CD2 3.84Å; Q402-F413 HydrophobicContact CG-CE2 4.01Å; Q402-F465 HydrophobicContact CG-CD2 3.81Å; Q402-F465 HydrophobicContact CG-CE1 4.27Å; Q402-F465 HydrophobicContact CG-CE2 3.36Å; Q402-F465 HydrophobicContact CG-CG 4.35Å; Q402-F465 HydrophobicContact CG-CZ 3.69Å; Q402-K487 VanDerWaalsContact CD-NZ 3.34Å
403	P	91.4	Very high	94.1	Very high	74 Å²	74	49.8 Å²	49.8	48%	0.481	27%	0.271	S	S	.	.			trans	-51.5	148	170.7	-25.3	35.7	0	0	0	110.8
404	N	91.1	Very high	94.3	Very high	75 Å²	75	44.9 Å²	44.9	40%	0.401	24%	0.241	S	C	.	.			trans	-51.2	151.4	179.5	-63	14.7	0	0	0	111.3	A408 N409	N404-A408 PolarHBondContact ND2-O 3.27Å; N404-A408 VanDerWaalsContact ND2-O 3.08Å; N404-N409 CarbonylContact C-O 3.56Å; N404-N409 WeakPolarHBondContact CA-O 2.98Å; N404-N409 VanDerWaalsContact CB-O 3.24Å; N404-N409 WeakPolarHBondContact CB-O 3.46Å
405	D	86	Confident	94.4	Very high	42 Å²	42	41.5 Å²	41.5	23%	0.225	22%	0.223	C	C	.	.			trans	-67.2	-178.9	174.5	73.5	3.3	0	0	0	111.9	D407 A408 N409 T425	D405-D407 PolarHBondContact O-N 2.62Å; D405-D407 VanDerWaalsContact OD1-C 3.3Å; D405-D407 WeakPolarHBondContact OD1-CA 3.42Å; D405-D407 PolarHBondContact OD1-N 3.49Å; D405-A408 PolarHBondContact O-N 3.36Å; D405-A408 PolarHBondContact OD1-N 3.34Å; D405-N409 PolarHBondContact N-O 3.2Å; D405-N409 WeakPolarHBondContact OD1-CB 3.16Å; D405-N409 PolarHBondContact OD1-N 3.17Å; D405-N409 PolarHBondContact OD1-ND2 2.8Å; D405-N409 WeakPolarHBondContact OD2-CB 3.23Å; D405-N409 PolarHBondContact OD2-ND2 2.72Å; D405-T425 WeakPolarHBondContact OD2-CG2 3.22Å
406	L	86.7	Confident	94.4	Very high	183 Å²	183	40.7 Å²	40.7	96%	0.958	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.9	-179.8	-65.9	171.3	0	0	0	113.2	A408	L406-A408 VanDerWaalsContact C-N 3.3Å
407	D	89.5	Confident	94.3	Very high	131 Å²	131	41.5 Å²	41.5	70%	0.701	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	11	178.7	-66.8	-35.7	0	0	0	112.2	D405 N409	D405-D407 PolarHBondContact O-N 2.62Å; D405-D407 VanDerWaalsContact OD1-C 3.3Å; D405-D407 WeakPolarHBondContact OD1-CA 3.42Å; D405-D407 PolarHBondContact OD1-N 3.49Å; D407-N409 WeakPolarHBondContact CB-ND2 3.44Å; D407-N409 PolarHBondContact O-N 3.19Å
408	A	90.6	Very high	94.1	Very high	71 Å²	71	38.3 Å²	38.3	59%	0.587	21%	0.213	S	C	*	.			trans	62.7	18	-177.5	0	0	0	0	0	115.3	N404 D405 L406	N404-A408 PolarHBondContact ND2-O 3.27Å; N404-A408 VanDerWaalsContact ND2-O 3.08Å; D405-A408 PolarHBondContact O-N 3.36Å; D405-A408 PolarHBondContact OD1-N 3.34Å; L406-A408 VanDerWaalsContact C-N 3.3Å
409	N	93.4	Very high	93.8	Very high	40 Å²	40	37.9 Å²	37.9	21%	0.214	21%	0.211	C	C	.	.			trans	-74.4	147.1	170.8	-55.8	-56.2	0	0	0	110.6	N404 D405 D407 N411 T425 L426	N404-N409 CarbonylContact C-O 3.56Å; N404-N409 WeakPolarHBondContact CA-O 2.98Å; N404-N409 VanDerWaalsContact CB-O 3.24Å; N404-N409 WeakPolarHBondContact CB-O 3.46Å; D405-N409 PolarHBondContact N-O 3.2Å; D405-N409 WeakPolarHBondContact OD1-CB 3.16Å; D405-N409 PolarHBondContact OD1-N 3.17Å; D405-N409 PolarHBondContact OD1-ND2 2.8Å; D405-N409 WeakPolarHBondContact OD2-CB 3.23Å; D405-N409 PolarHBondContact OD2-ND2 2.72Å; D407-N409 WeakPolarHBondContact CB-ND2 3.44Å; D407-N409 PolarHBondContact O-N 3.19Å; N409-N411 PolarHBondContact O-N 2.87Å; N409-T425 HydrophobicContact CB-CG2 3.56Å; N409-L426 WeakPolarHBondContact CB-O 3.03Å
410	L	94.9	Very high	93.6	Very high	33 Å²	33	41.6 Å²	41.6	17%	0.173	23%	0.225	C	C	.	.			trans	-65.7	135.3	173.5	-62.5	177.1	0	0	0	109.7	L356 I359 W401 L426	L356-L410 HydrophobicContact CD1-CD1 4.43Å; L356-L410 HydrophobicContact CD1-CD2 4.41Å; I359-L410 HydrophobicContact CD1-CD1 4.29Å; W401-L410 HydrophobicContact CZ3-CB 3.93Å; L410-L426 HydrophobicContact CB-CB 4.31Å; L410-L426 HydrophobicContact CB-CD1 3.92Å; L410-L426 HydrophobicContact CB-CG 4.17Å; L410-L426 HydrophobicContact CD1-CD1 4.13Å; L410-L426 PolarHBondContact O-N 3.17Å
411	N	94.8	Very high	93.6	Very high	16 Å²	16	38.9 Å²	38.9	9%	0.086	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135.2	-175.9	-178.2	31.9	0	0	0	110.9	Q402 N409 F413 S423 W424	Q402-N411 PolarHBondContact N-O 3.31Å; Q402-N411 VanDerWaalsContact O-O 3.1Å; N409-N411 PolarHBondContact O-N 2.87Å; N411-F413 WeakPolarHBondContact ND2-CE2 3.48Å; N411-S423 PolarHBondContact OD1-OG 3.19Å; N411-W424 WeakPolarHBondContact CA-O 3.4Å; N411-W424 PolarHBondContact OD1-O 2.94Å
412	F	96.6	Very high	93.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	161.2	172.1	69.3	-85.9	0	0	0	110.4	C361 V369 V371 R400 W401 W424 L426 I431	C361-F412 HydrophobicContact CB-CB 4.45Å; C361-F412 HydrophobicContact CB-CD1 4.22Å; C361-F412 HydrophobicContact CB-CD2 3.95Å; C361-F412 HydrophobicContact CB-CE1 4.45Å; C361-F412 HydrophobicContact CB-CE2 4.2Å; C361-F412 HydrophobicContact CB-CG 3.95Å; C361-F412 HydrophobicContact CB-CZ 4.43Å; V369-F412 HydrophobicContact CB-CE2 3.99Å; V369-F412 HydrophobicContact CB-CZ 4.12Å; V369-F412 HydrophobicContact CG1-CE2 4.3Å; V369-F412 HydrophobicContact CG2-CE2 4.14Å; V369-F412 HydrophobicContact CG2-CZ 3.93Å; V371-F412 HydrophobicContact CG2-CD1 4.27Å; V371-F412 HydrophobicContact CG2-CE1 3.59Å; V371-F412 HydrophobicContact CG2-CZ 4.11Å; R400-F412 CarbonylContact O-C 3.55Å; R400-F412 VanDerWaalsContact O-CA 3.29Å; R400-F412 WeakPolarHBondContact O-CA 3.36Å; R400-F412 WeakPolarHBondContact O-CB 3.27Å; W401-F412 HydrophobicContact CD2-CB 4.07Å; W401-F412 HydrophobicContact CE3-CB 3.7Å; W401-F412 HydrophobicContact CE3-CD1 4.41Å; W401-F412 HydrophobicContact CE3-CG 4.49Å; W401-F412 AromaticContact CH2-CD1 3.98Å; W401-F412 HydrophobicContact CH2-CD1 3.98Å; W401-F412 HydrophobicContact CZ3-CB 3.98Å; W401-F412 AromaticContact CZ3-CD1 3.81Å; W401-F412 HydrophobicContact CZ3-CD1 3.81Å; W401-F412 HydrophobicContact CZ3-CG 4.32Å; F412-W424 HydrophobicContact CD1-CB 3.89Å; F412-W424 HydrophobicContact CD2-CB 4.13Å; F412-W424 AromaticContact CD2-CD1 3.86Å; F412-W424 HydrophobicContact CD2-CG 4.28Å; F412-W424 HydrophobicContact CE1-CB 3.46Å; F412-W424 VanDerWaalsContact CE1-CB 3.46Å; F412-W424 HydrophobicContact CE1-CG 4.24Å; F412-W424 HydrophobicContact CE2-CB 3.73Å; F412-W424 AromaticContact CE2-CD1 3.43Å; F412-W424 VanDerWaalsContact CE2-CD1 3.43Å; F412-W424 AromaticContact CE2-CG 3.66Å; F412-W424 HydrophobicContact CE2-CG 3.66Å; F412-W424 HydrophobicContact CG-CB 4.2Å; F412-W424 HydrophobicContact CZ-CB 3.39Å; F412-W424 AromaticContact CZ-CD1 3.92Å; F412-W424 HydrophobicContact CZ-CD2 4.46Å; F412-W424 AromaticContact CZ-CG 3.64Å; F412-W424 HydrophobicContact CZ-CG 3.64Å; F412-W424 PolarHBondContact N-O 3.38Å; F412-W424 PolarHBondContact O-N 2.9Å; F412-L426 HydrophobicContact CE1-CD2 4.05Å; F412-I431 HydrophobicContact CE1-CD1 4.08Å; F412-I431 HydrophobicContact CZ-CD1 3.96Å
413	F	96.9	Very high	93.6	Very high	7 Å²	7	37.8 Å²	37.8	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	153.8	176.3	-74.6	-112.8	0	0	0	109.8	V399 R400 Q402 N411 V421 T422 S423 A436 F463 F465 K487	V399-F413 CarbonylContact C-O 3.6Å; V399-F413 VanDerWaalsContact CA-O 3.25Å; V399-F413 WeakPolarHBondContact CA-O 3.47Å; R400-F413 PolarHBondContact N-O 2.96Å; R400-F413 PolarHBondContact O-N 2.87Å; Q402-F413 HydrophobicContact CB-CD2 4.23Å; Q402-F413 HydrophobicContact CB-CE2 4.22Å; Q402-F413 HydrophobicContact CG-CD2 3.84Å; Q402-F413 HydrophobicContact CG-CE2 4.01Å; N411-F413 WeakPolarHBondContact ND2-CE2 3.48Å; F413-V421 HydrophobicContact CD1-CG1 4.15Å; F413-T422 CarbonylContact C-O 3.46Å; F413-T422 VanDerWaalsContact CA-O 3.28Å; F413-T422 WeakPolarHBondContact CA-O 3.42Å; F413-S423 WeakPolarHBondContact CE2-OG 3.49Å; F413-S423 VanDerWaalsContact CZ-OG 3.27Å; F413-S423 WeakPolarHBondContact CZ-OG 3.43Å; F413-A436 HydrophobicContact CD1-CB 4.39Å; F413-A436 HydrophobicContact CE1-CB 3.81Å; F413-F463 HydrophobicContact CB-CE2 4Å; F413-F463 HydrophobicContact CB-CZ 3.89Å; F413-F465 HydrophobicContact CB-CE2 4.05Å; F413-F465 HydrophobicContact CB-CZ 3.76Å; F413-F465 AromaticContact CD1-CZ 3.99Å; F413-F465 HydrophobicContact CD1-CZ 3.99Å; F413-F465 HydrophobicContact CD2-CE2 4.12Å; F413-F465 AromaticContact CD2-CZ 3.58Å; F413-F465 HydrophobicContact CD2-CZ 3.58Å; F413-F465 HydrophobicContact CE1-CZ 4.47Å; F413-F465 HydrophobicContact CE2-CZ 4.12Å; F413-F465 HydrophobicContact CG-CE2 4.19Å; F413-F465 AromaticContact CG-CZ 3.52Å; F413-F465 HydrophobicContact CG-CZ 3.52Å; F413-K487 HydrophobicContact CZ-CD 3.99Å; F413-K487 HydrophobicContact CZ-CG 4.37Å
414	S	97.8	Very high	93.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	155.8	170.7	63.7	0	0	0	0	111.1	H392 E398 V421 T422 W424	H392-S414 PolarHBondContact NE2-OG 2.94Å; E398-S414 VanDerWaalsContact O-CA 3.27Å; E398-S414 WeakPolarHBondContact O-CA 3.27Å; S414-V421 CarbonylContact O-C 3.56Å; S414-V421 VanDerWaalsContact O-CA 3.27Å; S414-V421 WeakPolarHBondContact O-CA 3.13Å; S414-T422 PolarHBondContact N-O 2.85Å; S414-T422 PolarHBondContact O-N 3.09Å; S414-W424 PolarHBondContact OG-NE1 2.89Å
415	I	97.3	Very high	94	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	142	167.3	-167.2	167.9	0	0	0	109.6	V396 W397 E398 V421 F463 V475	V396-I415 CarbonylContact C-O 3.54Å; V396-I415 WeakPolarHBondContact CA-O 3.14Å; V396-I415 WeakPolarHBondContact CG1-O 3.46Å; W397-I415 HydrophobicContact CB-CG2 4.42Å; W397-I415 PolarHBondContact N-O 3.01Å; E398-I415 HydrophobicContact CB-CG2 3.72Å; E398-I415 PolarHBondContact O-N 2.79Å; I415-V421 HydrophobicContact CB-CG2 4.44Å; I415-V421 HydrophobicContact CD1-CG2 4.1Å; I415-V421 HydrophobicContact CG1-CG2 4.04Å; I415-F463 HydrophobicContact CB-CD1 3.59Å; I415-F463 HydrophobicContact CB-CE1 4.02Å; I415-F463 HydrophobicContact CD1-CB 4.43Å; I415-F463 HydrophobicContact CG2-CD1 3.49Å; I415-F463 VanDerWaalsContact CG2-CD1 3.49Å; I415-F463 HydrophobicContact CG2-CE1 3.94Å; I415-V475 HydrophobicContact CD1-CG1 3.47Å; I415-V475 VanDerWaalsContact CD1-CG1 3.47Å
416	S	97.2	Very high	94.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	157.8	176	168.7	0	0	0	0	111.5	H392 D394 P395 D418 G419 R420 G460	H392-S416 VanDerWaalsContact ND1-CB 3.29Å; H392-S416 WeakPolarHBondContact ND1-CB 3.46Å; D394-S416 VanDerWaalsContact C-OG 3.26Å; D394-S416 PolarHBondContact O-OG 2.84Å; P395-S416 WeakPolarHBondContact O-CA 3.43Å; P395-S416 WeakPolarHBondContact O-CB 3.27Å; P395-S416 PolarHBondContact O-OG 2.79Å; P395-S416 VanDerWaalsContact O-OG 3.1Å; S416-D418 VanDerWaalsContact CB-OD1 3.3Å; S416-D418 WeakPolarHBondContact CB-OD1 3.28Å; S416-D418 PolarHBondContact O-N 3.28Å; S416-D418 VanDerWaalsContact O-N 3.11Å; S416-D418 PolarHBondContact OG-N 3.36Å; S416-D418 VanDerWaalsContact OG-N 3.09Å; S416-D418 PolarHBondContact OG-OD1 2.83Å; S416-G419 PolarHBondContact O-N 2.98Å; S416-G419 VanDerWaalsContact O-N 3.09Å; S416-R420 PolarHBondContact N-O 2.98Å; S416-G460 CarbonylContact C-O 3.55Å; S416-G460 PolarHBondContact O-N 2.94Å
417	A	95.5	Very high	94.7	Very high	17 Å²	17	25.5 Å²	25.5	14%	0.14	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-13	167.2	0	0	0	0	0	113.3	D394 P395 G419 C459 G460	D394-A417 HydrophobicContact CB-CB 3.84Å; P395-A417 PolarHBondContact O-N 2.81Å; P395-A417 VanDerWaalsContact O-N 3.09Å; A417-G419 PolarHBondContact O-N 2.7Å; A417-G419 VanDerWaalsContact O-N 3.13Å; A417-C459 HydrophobicContact CB-CB 4.37Å; A417-C459 WeakPolarHBondContact O-CA 3.42Å; A417-G460 PolarHBondContact N-O 3.42Å
418	D	94.1	Very high	94.5	Very high	11 Å²	11	27.9 Å²	27.9	6%	0.059	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	0.1	172.1	74.5	2.6	0	0	0	113.9	H392 T393 D394 S416 R420 L457	H392-D418 WeakPolarHBondContact CA-OD2 3.17Å; H392-D418 VanDerWaalsContact CB-OD2 3.31Å; H392-D418 WeakPolarHBondContact CB-OD2 3.24Å; H392-D418 IonicContact CE1-OD1 3.01Å; H392-D418 IonicContact CG-OD2 2.95Å; H392-D418 VanDerWaalsContact ND1-CG 3.34Å; H392-D418 IonicContact ND1-OD1 3.54Å; H392-D418 PolarHBondContact ND1-OD1 3.04Å; H392-D418 VanDerWaalsContact ND1-OD1 3.13Å; H392-D418 IonicContact ND1-OD2 3.22Å; H392-D418 PolarHBondContact ND1-OD2 2.78Å; T393-D418 PolarHBondContact N-OD2 3.31Å; T393-D418 WeakPolarHBondContact OG1-CB 3.33Å; D394-D418 HydrophobicContact CB-CB 4.07Å; S416-D418 VanDerWaalsContact CB-OD1 3.3Å; S416-D418 WeakPolarHBondContact CB-OD1 3.28Å; S416-D418 PolarHBondContact O-N 3.28Å; S416-D418 VanDerWaalsContact O-N 3.11Å; S416-D418 PolarHBondContact OG-N 3.36Å; S416-D418 VanDerWaalsContact OG-N 3.09Å; S416-D418 PolarHBondContact OG-OD1 2.83Å; D418-R420 VanDerWaalsContact OD1-CB 3.26Å; D418-R420 WeakPolarHBondContact OD1-CB 3.5Å; D418-R420 WeakPolarHBondContact OD1-CG 3.36Å; D418-R420 PolarHBondContact OD1-N 3.37Å; D418-L457 WeakPolarHBondContact O-CD1 3.39Å
419	G	92.2	Very high	94.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	79.4	18.5	176.8	0	0	0	0	0	114.2	S416 A417 L439 D458	S416-G419 PolarHBondContact O-N 2.98Å; S416-G419 VanDerWaalsContact O-N 3.09Å; A417-G419 PolarHBondContact O-N 2.7Å; A417-G419 VanDerWaalsContact O-N 3.13Å; G419-L439 WeakPolarHBondContact O-CB 3.44Å; G419-L439 WeakPolarHBondContact O-CG 3.25Å; G419-L439 PolarHBondContact O-N 3.31Å; G419-D458 WeakPolarHBondContact CA-O 3.01Å
420	R	93.7	Very high	94	Very high	79 Å²	79	34.8 Å²	34.8	30%	0.298	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	138.5	179.9	-54.9	173.8	-175	-161.7	2.9	111.4	S416 D418 D435 V437	S416-R420 PolarHBondContact N-O 2.98Å; D418-R420 VanDerWaalsContact OD1-CB 3.26Å; D418-R420 WeakPolarHBondContact OD1-CB 3.5Å; D418-R420 WeakPolarHBondContact OD1-CG 3.36Å; D418-R420 PolarHBondContact OD1-N 3.37Å; R420-D435 IonicContact CZ-OD2 2.66Å; R420-D435 IonicContact NE-OD2 2.64Å; R420-D435 IonicContact NH1-OD2 3.7Å; R420-D435 PolarHBondContact NH1-OD2 3.44Å; R420-D435 VanDerWaalsContact NH1-OD2 3.15Å; R420-V437 WeakPolarHBondContact CA-O 3.39Å
421	V	95.3	Very high	93.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	111.8	162.4	-178	0	0	0	0	107.4	F413 S414 I415 A436 V437 F473 V475	F413-V421 HydrophobicContact CD1-CG1 4.15Å; S414-V421 CarbonylContact O-C 3.56Å; S414-V421 VanDerWaalsContact O-CA 3.27Å; S414-V421 WeakPolarHBondContact O-CA 3.13Å; I415-V421 HydrophobicContact CB-CG2 4.44Å; I415-V421 HydrophobicContact CD1-CG2 4.1Å; I415-V421 HydrophobicContact CG1-CG2 4.04Å; V421-A436 PolarHBondContact O-N 3.18Å; V421-V437 HydrophobicContact CB-CB 4.17Å; V421-V437 HydrophobicContact CG2-CB 4.38Å; V421-V437 PolarHBondContact N-O 2.79Å; V421-V437 PolarHBondContact O-N 3.46Å; V421-F473 HydrophobicContact CB-CE2 4.49Å; V421-F473 HydrophobicContact CG1-CE2 3.98Å; V421-F473 HydrophobicContact CG1-CZ 4.37Å; V421-F473 HydrophobicContact CG2-CE2 4.4Å; V421-V475 HydrophobicContact CG2-CG1 4.29Å; V421-V475 HydrophobicContact CG2-CG2 3.96Å
422	T	95.5	Very high	93.7	Very high	2 Å²	2	34 Å²	34	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.4	-172.4	-58.1	0	0	0	0	110.3	H392 F413 S414 W424 K433 D435	H392-T422 PolarHBondContact CE1-OG1 2.96Å; F413-T422 CarbonylContact C-O 3.46Å; F413-T422 VanDerWaalsContact CA-O 3.28Å; F413-T422 WeakPolarHBondContact CA-O 3.42Å; S414-T422 PolarHBondContact N-O 2.85Å; S414-T422 PolarHBondContact O-N 3.09Å; T422-W424 HydrophobicContact CG2-CD2 4.16Å; T422-W424 HydrophobicContact CG2-CH2 4.32Å; T422-W424 HydrophobicContact CG2-CZ2 3.68Å; T422-W424 VanDerWaalsContact O-CD1 3.29Å; T422-W424 PolarHBondContact O-NE1 2.78Å; T422-K433 HydrophobicContact CG2-CB 3.96Å; T422-D435 WeakPolarHBondContact CG2-OD1 3.49Å; T422-D435 PolarHBondContact OG1-OD1 2.93Å
423	S	95.1	Very high	93.5	Very high	13 Å²	13	38.2 Å²	38.2	9%	0.091	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	135.7	169.7	-164.6	0	0	0	0	109.1	N411 F413 K433 F434	N411-S423 PolarHBondContact OD1-OG 3.19Å; F413-S423 WeakPolarHBondContact CE2-OG 3.49Å; F413-S423 VanDerWaalsContact CZ-OG 3.27Å; F413-S423 WeakPolarHBondContact CZ-OG 3.43Å; S423-K433 CarbonylContact O-C 3.47Å; S423-K433 VanDerWaalsContact O-CA 3.3Å; S423-K433 WeakPolarHBondContact O-CA 3.45Å; S423-F434 PolarHBondContact N-O 2.8Å; S423-F434 PolarHBondContact O-N 2.62Å
424	W	96.2	Very high	93.3	Very high	1 Å²	1	43.7 Å²	43.7	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	118.6	-178.9	-57.6	91.4	0	0	0	110.1	V369 G390 H392 N411 F412 S414 T422 I431 G432 K433	V369-W424 HydrophobicContact CG1-CZ2 4.19Å; V369-W424 HydrophobicContact CG2-CD2 3.52Å; V369-W424 VanDerWaalsContact CG2-CE2 3.45Å; V369-W424 HydrophobicContact CG2-CE3 3.75Å; V369-W424 HydrophobicContact CG2-CG 4.09Å; V369-W424 HydrophobicContact CG2-CH2 3.87Å; V369-W424 HydrophobicContact CG2-CZ2 3.65Å; V369-W424 HydrophobicContact CG2-CZ3 3.91Å; G390-W424 VanDerWaalsContact O-CH2 3.28Å; G390-W424 WeakPolarHBondContact O-CH2 3.4Å; G390-W424 VanDerWaalsContact O-CZ3 3.31Å; G390-W424 WeakPolarHBondContact O-CZ3 3.47Å; H392-W424 AromaticContact CD2-CZ2 3.92Å; H392-W424 AromaticContact NE2-CZ2 3.87Å; N411-W424 WeakPolarHBondContact CA-O 3.4Å; N411-W424 PolarHBondContact OD1-O 2.94Å; F412-W424 HydrophobicContact CD1-CB 3.89Å; F412-W424 HydrophobicContact CD2-CB 4.13Å; F412-W424 AromaticContact CD2-CD1 3.86Å; F412-W424 HydrophobicContact CD2-CG 4.28Å; F412-W424 HydrophobicContact CE1-CB 3.46Å; F412-W424 VanDerWaalsContact CE1-CB 3.46Å; F412-W424 HydrophobicContact CE1-CG 4.24Å; F412-W424 HydrophobicContact CE2-CB 3.73Å; F412-W424 AromaticContact CE2-CD1 3.43Å; F412-W424 VanDerWaalsContact CE2-CD1 3.43Å; F412-W424 AromaticContact CE2-CG 3.66Å; F412-W424 HydrophobicContact CE2-CG 3.66Å; F412-W424 HydrophobicContact CG-CB 4.2Å; F412-W424 HydrophobicContact CZ-CB 3.39Å; F412-W424 AromaticContact CZ-CD1 3.92Å; F412-W424 HydrophobicContact CZ-CD2 4.46Å; F412-W424 AromaticContact CZ-CG 3.64Å; F412-W424 HydrophobicContact CZ-CG 3.64Å; F412-W424 PolarHBondContact N-O 3.38Å; F412-W424 PolarHBondContact O-N 2.9Å; S414-W424 PolarHBondContact OG-NE1 2.89Å; T422-W424 HydrophobicContact CG2-CD2 4.16Å; T422-W424 HydrophobicContact CG2-CH2 4.32Å; T422-W424 HydrophobicContact CG2-CZ2 3.68Å; T422-W424 VanDerWaalsContact O-CD1 3.29Å; T422-W424 PolarHBondContact O-NE1 2.78Å; W424-I431 HydrophobicContact CB-CD1 4.06Å; W424-I431 HydrophobicContact CB-CG1 4.23Å; W424-I431 HydrophobicContact CD2-CD1 4.29Å; W424-I431 HydrophobicContact CE3-CD1 3.77Å; W424-I431 HydrophobicContact CE3-CG1 3.92Å; W424-I431 HydrophobicContact CE3-CG2 4.43Å; W424-I431 HydrophobicContact CG-CD1 4.43Å; W424-G432 CarbonylContact C-O 3.48Å; W424-G432 VanDerWaalsContact CA-O 3.31Å; W424-G432 WeakPolarHBondContact CA-O 3.34Å; W424-K433 HydrophobicContact CD2-CB 4.29Å; W424-K433 HydrophobicContact CE3-CB 3.63Å; W424-K433 HydrophobicContact CH2-CB 4.19Å; W424-K433 HydrophobicContact CH2-CD 4.02Å; W424-K433 HydrophobicContact CZ3-CB 3.59Å; W424-K433 HydrophobicContact CZ3-CD 3.95Å; W424-K433 HydrophobicContact CZ3-CG 4.34Å
425	T	95.5	Very high	93	Very high	25 Å²	25	45.6 Å²	45.6	15%	0.153	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126.9	-179.1	-57.6	0	0	0	0	109.6	D405 N409 I427 G432	D405-T425 WeakPolarHBondContact OD2-CG2 3.22Å; N409-T425 HydrophobicContact CB-CG2 3.56Å; T425-I427 HydrophobicContact CG2-CD1 4.21Å; T425-I427 HydrophobicContact CG2-CG1 3.82Å; T425-I427 PolarHBondContact O-N 3.1Å; T425-G432 PolarHBondContact N-O 2.93Å; T425-G432 PolarHBondContact O-N 3.29Å
426	L	94.2	Very high	92.7	Very high	10 Å²	10	45.7 Å²	45.7	5%	0.052	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	108.3	179	-55.7	-170.4	0	0	0	110.6	V371 Y383 W401 N409 L410 F412 I431	V371-L426 HydrophobicContact CB-CD1 4.42Å; V371-L426 HydrophobicContact CG1-CD1 4.1Å; V371-L426 HydrophobicContact CG2-CD1 4.08Å; V371-L426 HydrophobicContact CG2-CD2 4.01Å; Y383-L426 HydrophobicContact CD1-CD2 4.16Å; Y383-L426 HydrophobicContact CD2-CD1 4Å; Y383-L426 HydrophobicContact CD2-CD2 4Å; Y383-L426 HydrophobicContact CD2-CG 4.49Å; Y383-L426 HydrophobicContact CE1-CB 4.39Å; Y383-L426 HydrophobicContact CE2-CB 4.34Å; Y383-L426 HydrophobicContact CE2-CD1 3.92Å; Y383-L426 HydrophobicContact CE2-CD2 4.39Å; Y383-L426 HydrophobicContact CE2-CG 4.46Å; Y383-L426 HydrophobicContact CG-CD2 3.88Å; W401-L426 HydrophobicContact CH2-CD1 4.11Å; N409-L426 WeakPolarHBondContact CB-O 3.03Å; L410-L426 HydrophobicContact CB-CB 4.31Å; L410-L426 HydrophobicContact CB-CD1 3.92Å; L410-L426 HydrophobicContact CB-CG 4.17Å; L410-L426 HydrophobicContact CD1-CD1 4.13Å; L410-L426 PolarHBondContact O-N 3.17Å; F412-L426 HydrophobicContact CE1-CD2 4.05Å; L426-I431 HydrophobicContact CD2-CD1 3.97Å; L426-I431 HydrophobicContact CD2-CG1 3.94Å
427	I	91.6	Very high	92.4	Very high	79 Å²	79	45.8 Å²	45.8	41%	0.405	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	101.7	-175.4	-54.4	172.7	0	0	0	109.4	T425 N429 D430	T425-I427 HydrophobicContact CG2-CD1 4.21Å; T425-I427 HydrophobicContact CG2-CG1 3.82Å; T425-I427 PolarHBondContact O-N 3.1Å; I427-N429 PolarHBondContact O-N 3.01Å; I427-D430 CarbonylContact C-O 3.59Å; I427-D430 PolarHBondContact N-O 2.98Å; I427-D430 PolarHBondContact O-N 3.41Å
428	K	86.3	Confident	92.1	Very high	182 Å²	182	48.1 Å²	48.1	79%	0.791	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	-83.6	179.6	-62.4	178.9	178.9	175.4	0	114.3	Y383	Y383-K428 PolarHBondContact OH-O 2.86Å
429	N	85.2	Confident	91.9	Very high	162 Å²	162	47.6 Å²	47.6	87%	0.866	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-131.8	7.2	-179	-69.1	-15.8	0	0	0	111.8	I427	I427-N429 PolarHBondContact O-N 3.01Å
430	D	87.9	Confident	91.6	Very high	94 Å²	94	52.6 Å²	52.6	50%	0.503	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	163.9	179.6	-156.6	-0	0	0	0	110	I427	I427-D430 CarbonylContact C-O 3.59Å; I427-D430 PolarHBondContact N-O 2.98Å; I427-D430 PolarHBondContact O-N 3.41Å
431	I	92.2	Very high	90.6	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.041	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	109.6	179.2	-161.9	171.5	0	0	0	109.3	V369 F412 W424 L426	V369-I431 HydrophobicContact CG2-CD1 4.22Å; F412-I431 HydrophobicContact CE1-CD1 4.08Å; F412-I431 HydrophobicContact CZ-CD1 3.96Å; W424-I431 HydrophobicContact CB-CD1 4.06Å; W424-I431 HydrophobicContact CB-CG1 4.23Å; W424-I431 HydrophobicContact CD2-CD1 4.29Å; W424-I431 HydrophobicContact CE3-CD1 3.77Å; W424-I431 HydrophobicContact CE3-CG1 3.92Å; W424-I431 HydrophobicContact CE3-CG2 4.43Å; W424-I431 HydrophobicContact CG-CD1 4.43Å; L426-I431 HydrophobicContact CD2-CD1 3.97Å; L426-I431 HydrophobicContact CD2-CG1 3.94Å
432	G	92.1	Very high	89.2	Confident	25 Å²	25	58 Å²	58	26%	0.258	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	142.5	172	0	0	0	0	0	109.8	W424 T425	W424-G432 CarbonylContact C-O 3.48Å; W424-G432 VanDerWaalsContact CA-O 3.31Å; W424-G432 WeakPolarHBondContact CA-O 3.34Å; T425-G432 PolarHBondContact N-O 2.93Å; T425-G432 PolarHBondContact O-N 3.29Å
433	K	92.7	Very high	87.2	Confident	88 Å²	88	60.7 Å²	60.7	38%	0.383	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	145.7	177.1	72.4	171.3	-172.9	158.8	0	112.5	T422 S423 W424	T422-K433 HydrophobicContact CG2-CB 3.96Å; S423-K433 CarbonylContact O-C 3.47Å; S423-K433 VanDerWaalsContact O-CA 3.3Å; S423-K433 WeakPolarHBondContact O-CA 3.45Å; W424-K433 HydrophobicContact CD2-CB 4.29Å; W424-K433 HydrophobicContact CE3-CB 3.63Å; W424-K433 HydrophobicContact CH2-CB 4.19Å; W424-K433 HydrophobicContact CH2-CD 4.02Å; W424-K433 HydrophobicContact CZ3-CB 3.59Å; W424-K433 HydrophobicContact CZ3-CD 3.95Å; W424-K433 HydrophobicContact CZ3-CG 4.34Å
434	F	91.5	Very high	85	Confident	121 Å²	121	67.8 Å²	67.8	53%	0.531	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	120.1	174.9	174.7	-100.1	0	0	0	110	S423 A436 T490	S423-F434 PolarHBondContact N-O 2.8Å; S423-F434 PolarHBondContact O-N 2.62Å; F434-A436 HydrophobicContact CD1-CB 4.49Å; F434-A436 HydrophobicContact CE1-CB 4.5Å; F434-A436 PolarHBondContact O-N 2.82Å; F434-A436 VanDerWaalsContact O-N 3.12Å; F434-T490 HydrophobicContact CE1-CG2 4.32Å; F434-T490 HydrophobicContact CZ-CG2 4.14Å
435	D	91.8	Very high	82.2	Confident	41 Å²	41	71.6 Å²	71.6	22%	0.219	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	103.5	177.9	-67.5	-9.7	0	0	0	108.7	R420 T422 I438	R420-D435 IonicContact CZ-OD2 2.66Å; R420-D435 IonicContact NE-OD2 2.64Å; R420-D435 IonicContact NH1-OD2 3.7Å; R420-D435 PolarHBondContact NH1-OD2 3.44Å; R420-D435 VanDerWaalsContact NH1-OD2 3.15Å; T422-D435 WeakPolarHBondContact CG2-OD1 3.49Å; T422-D435 PolarHBondContact OG1-OD1 2.93Å; D435-I438 HydrophobicContact CB-CG1 4.48Å
436	A	90.2	Very high	79.8	Confident	2 Å²	2	78.6 Å²	78.6	2%	0.017	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-35.9	-176.7	0	0	0	0	0	112.1	F413 V421 F434 T490	F413-A436 HydrophobicContact CD1-CB 4.39Å; F413-A436 HydrophobicContact CE1-CB 3.81Å; V421-A436 PolarHBondContact O-N 3.18Å; F434-A436 HydrophobicContact CD1-CB 4.49Å; F434-A436 HydrophobicContact CE1-CB 4.5Å; F434-A436 PolarHBondContact O-N 2.82Å; F434-A436 VanDerWaalsContact O-N 3.12Å; A436-T490 WeakPolarHBondContact O-CA 3.38Å; A436-T490 VanDerWaalsContact O-CB 3.25Å; A436-T490 WeakPolarHBondContact O-CB 3.48Å; A436-T490 WeakPolarHBondContact O-CG2 3.43Å
437	V	90.7	Very high	77.3	Confident	2 Å²	2	86.5 Å²	86.5	1%	0.012	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	140.4	175.1	177.1	0	0	0	0	109.1	R420 V421 L439 F473 C485 Y493	R420-V437 WeakPolarHBondContact CA-O 3.39Å; V421-V437 HydrophobicContact CB-CB 4.17Å; V421-V437 HydrophobicContact CG2-CB 4.38Å; V421-V437 PolarHBondContact N-O 2.79Å; V421-V437 PolarHBondContact O-N 3.46Å; V437-L439 HydrophobicContact CG1-CD2 3.95Å; V437-F473 HydrophobicContact CG2-CE2 4.19Å; V437-F473 HydrophobicContact CG2-CZ 3.61Å; V437-C485 HydrophobicContact CG2-CB 3.96Å; V437-Y493 HydrophobicContact CG1-CE1 4.28Å
438	I	91.1	Very high	75	Confident	66 Å²	66	86 Å²	86	34%	0.338	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	113.6	169.5	-60.8	174.7	0	0	0	106.8	D435 K440 L457	D435-I438 HydrophobicContact CB-CG1 4.48Å; I438-K440 HydrophobicContact CG2-CG 4.38Å; I438-K440 PolarHBondContact O-N 3.39Å; I438-L457 HydrophobicContact CG2-CD1 4.41Å; I438-L457 HydrophobicContact CG2-CD2 3.48Å; I438-L457 VanDerWaalsContact CG2-CD2 3.48Å
439	L	89.4	Confident	72.8	Confident	0 Å²	0	86.3 Å²	86.3	0%	0	47%	0.473	C	S	.	.			trans	-75	102.7	-177.6	-56.1	170.6	0	0	0	109.1	G419 V437 L457 D458 V475 T477 F483 Y493	G419-L439 WeakPolarHBondContact O-CB 3.44Å; G419-L439 WeakPolarHBondContact O-CG 3.25Å; G419-L439 PolarHBondContact O-N 3.31Å; V437-L439 HydrophobicContact CG1-CD2 3.95Å; L439-L457 CarbonylContact O-C 3.55Å; L439-L457 WeakPolarHBondContact O-CA 3.03Å; L439-L457 WeakPolarHBondContact O-CB 3.25Å; L439-L457 VanDerWaalsContact O-CD2 3.29Å; L439-L457 WeakPolarHBondContact O-CD2 3.13Å; L439-D458 HydrophobicContact CB-CB 4Å; L439-D458 PolarHBondContact O-N 3.4Å; L439-V475 HydrophobicContact CD1-CG1 3.75Å; L439-V475 HydrophobicContact CD2-CB 4.38Å; L439-V475 HydrophobicContact CD2-CG1 3.72Å; L439-V475 HydrophobicContact CG-CG1 4.31Å; L439-T477 HydrophobicContact CD1-CG2 4.2Å; L439-F483 HydrophobicContact CD2-CD2 4.06Å; L439-Y493 WeakPolarHBondContact CA-OH 3.11Å; L439-Y493 HydrophobicContact CD2-CE1 4.27Å
440	K	84.6	Confident	71	Confident	104 Å²	104	81.7 Å²	81.7	45%	0.452	46%	0.464	S	S	.	.	B	Isolated β-bridge	trans	-97.2	125	178.2	-64.1	176.9	-175.4	174.8	0	109.4	I438 I442 I455 L457 Y493	I438-K440 HydrophobicContact CG2-CG 4.38Å; I438-K440 PolarHBondContact O-N 3.39Å; K440-I442 PolarHBondContact O-N 3.14Å; K440-I455 HydrophobicContact CB-CG2 4.28Å; K440-I455 HydrophobicContact CD-CG2 4.29Å; K440-I455 HydrophobicContact CG-CG2 4.02Å; K440-L457 HydrophobicContact CG-CD2 4.17Å; K440-Y493 PolarHBondContact N-OH 3.34Å; K440-Y493 PolarHBondContact O-OH 3.05Å
441	M	73.1	Confident	68.9	Low	62 Å²	62	85.5 Å²	85.5	31%	0.305	48%	0.479	S	S	.	.			trans	-66.8	119.2	172.1	-160.8	179.1	98.4	0	0	108.8	A443 T456 D458	M441-A443 HydrophobicContact CE-CB 4.09Å; M441-A443 PolarHBondContact O-N 2.8Å; M441-T456 VanDerWaalsContact CB-O 3.23Å; M441-T456 WeakPolarHBondContact CB-O 3.33Å; M441-T456 WeakPolarHBondContact CB-OG1 3.45Å; M441-T456 WeakPolarHBondContact CE-OG1 3.46Å; M441-T456 PolarHBondContact N-O 3.16Å; M441-T456 PolarHBondContact SD-OG1 3.4Å; M441-D458 WeakPolarHBondContact CA-OD1 3.14Å; M441-D458 WeakPolarHBondContact CB-OD1 3.35Å; M441-D458 WeakPolarHBondContact CG-OD1 3.41Å
442	I	66	Low	66.6	Low	132 Å²	132	90.8 Å²	90.8	68%	0.677	51%	0.513	S	S	*	.			trans	-86.1	87.5	172.4	-55.7	174.9	0	0	0	106.9	K440 N444	K440-I442 PolarHBondContact O-N 3.14Å; I442-N444 PolarHBondContact O-N 3.31Å; I442-N444 VanDerWaalsContact O-N 3.1Å
443	A	54.9	Low	64.6	Low	58 Å²	58	100.8 Å²	100.8	48%	0.479	54%	0.543	S	S	.	.			trans	-65.3	112.2	171.8	0	0	0	0	0	109.5	M441 S445	M441-A443 HydrophobicContact CE-CB 4.09Å; M441-A443 PolarHBondContact O-N 2.8Å; A443-S445 PolarHBondContact O-N 2.78Å
444	N	46.9	Very low	62.6	Low	161 Å²	161	101.5 Å²	101.5	86%	0.861	56%	0.56	S	S	*	*			trans	-68.7	70.7	167	-78.3	-19.9	0	0	0	109.7	I442 N446	I442-N444 PolarHBondContact O-N 3.31Å; I442-N444 VanDerWaalsContact O-N 3.1Å; N444-N446 PolarHBondContact O-N 3.06Å
445	S	38.9	Very low	61.1	Low	81 Å²	81	101.4 Å²	101.4	57%	0.566	56%	0.563	S	S	*	*			trans	-87.9	93	174	44.8	0	0	0	0	109.2	A443 E447	A443-S445 PolarHBondContact O-N 2.78Å; S445-E447 PolarHBondContact O-N 2.83Å
446	N	45	Very low	60.4	Low	173 Å²	173	102.4 Å²	102.4	93%	0.925	57%	0.571	S	S	*	*			trans	-79.5	20.2	159.6	-96	-10.5	0	0	0	112.3	N444	N444-N446 PolarHBondContact O-N 3.06Å
447	E	41	Very low	60.2	Low	175 Å²	175	105.5 Å²	105.5	82%	0.818	59%	0.587	S	S	*	*	S	Bend	trans	-126.7	118.8	-176.6	-65.1	-167.2	165.7	0	0	112	S445	S445-E447 PolarHBondContact O-N 2.83Å
448	G	43.3	Very low	60	Low	70 Å²	70	105.6 Å²	105.6	72%	0.722	59%	0.587	S	S	*	*			trans	80.9	95.9	151.1	0	0	0	0	0	117.7	G450	G448-G450 PolarHBondContact O-N 2.79Å; G448-G450 VanDerWaalsContact O-N 3.12Å
449	I	39.8	Very low	60.2	Low	187 Å²	187	104.3 Å²	104.3	96%	0.959	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	110.6	159.3	-60.6	163.2	0	0	0	108
450	G	47.6	Very low	60.4	Low	66 Å²	66	104.3 Å²	104.3	68%	0.68	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	160.2	-18.6	168.8	0	0	0	0	0	118	G448	G448-G450 PolarHBondContact O-N 2.79Å; G448-G450 VanDerWaalsContact O-N 3.12Å
451	H	43.8	Very low	61	Low	174 Å²	174	100.1 Å²	100.1	81%	0.806	57%	0.567	S	S	*	*	S	Bend	trans	-106.6	137.9	178.3	-67.4	-50.1	0	0	0	111.6	R453	H451-R453 PolarHBondContact O-N 2.75Å; H451-R453 VanDerWaalsContact O-N 3.15Å
452	P	45.2	Very low	62.2	Low	119 Å²	119	97.2 Å²	97.2	77%	0.773	55%	0.553	S	S	*	*			trans	-55.1	125.3	174	23.7	-31.6	0	0	0	107.8	S454	P452-S454 VanDerWaalsContact C-N 3.32Å; P452-S454 PolarHBondContact O-N 3.48Å
453	R	48.9	Very low	63.7	Low	234 Å²	234	91 Å²	91	88%	0.883	52%	0.521	S	S	*	.			trans	-57.8	95.9	176.8	-73.4	179	175.2	163.9	-2.9	108.4	H451 I455	H451-R453 PolarHBondContact O-N 2.75Å; H451-R453 VanDerWaalsContact O-N 3.15Å; R453-I455 PolarHBondContact O-N 2.83Å; R453-I455 VanDerWaalsContact O-N 3.14Å
454	S	50.5	Low	65.7	Low	104 Å²	104	89.4 Å²	89.4	73%	0.727	50%	0.504	S	S	*	.			trans	-67.2	107.7	168.9	44.4	0	0	0	0	107.1	P452 T456	P452-S454 VanDerWaalsContact C-N 3.32Å; P452-S454 PolarHBondContact O-N 3.48Å; S454-T456 PolarHBondContact O-N 2.89Å; S454-T456 VanDerWaalsContact O-N 3.13Å
455	I	61.3	Low	68	Low	119 Å²	119	82.3 Å²	82.3	61%	0.61	47%	0.466	S	S	*	.			trans	-72.9	102.5	172.9	-58	170.4	0	0	0	106	K440 R453 L457	K440-I455 HydrophobicContact CB-CG2 4.28Å; K440-I455 HydrophobicContact CD-CG2 4.29Å; K440-I455 HydrophobicContact CG-CG2 4.02Å; R453-I455 PolarHBondContact O-N 2.83Å; R453-I455 VanDerWaalsContact O-N 3.14Å; I455-L457 HydrophobicContact CG2-CD2 4.47Å
456	T	76.4	Confident	70.7	Confident	61 Å²	61	78.6 Å²	78.6	37%	0.374	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-78.8	142.2	165.8	44.2	0	0	0	0	108.4	M441 S454	M441-T456 VanDerWaalsContact CB-O 3.23Å; M441-T456 WeakPolarHBondContact CB-O 3.33Å; M441-T456 WeakPolarHBondContact CB-OG1 3.45Å; M441-T456 WeakPolarHBondContact CE-OG1 3.46Å; M441-T456 PolarHBondContact N-O 3.16Å; M441-T456 PolarHBondContact SD-OG1 3.4Å; S454-T456 PolarHBondContact O-N 2.89Å; S454-T456 VanDerWaalsContact O-N 3.13Å
457	L	84.9	Confident	72.9	Confident	67 Å²	67	77.1 Å²	77.1	35%	0.351	42%	0.421	S	S	.	.	B	Isolated β-bridge	trans	-96.3	141.5	175.6	-61.2	177.7	0	0	0	108.3	D418 I438 L439 K440 I455	D418-L457 WeakPolarHBondContact O-CD1 3.39Å; I438-L457 HydrophobicContact CG2-CD1 4.41Å; I438-L457 HydrophobicContact CG2-CD2 3.48Å; I438-L457 VanDerWaalsContact CG2-CD2 3.48Å; L439-L457 CarbonylContact O-C 3.55Å; L439-L457 WeakPolarHBondContact O-CA 3.03Å; L439-L457 WeakPolarHBondContact O-CB 3.25Å; L439-L457 VanDerWaalsContact O-CD2 3.29Å; L439-L457 WeakPolarHBondContact O-CD2 3.13Å; K440-L457 HydrophobicContact CG-CD2 4.17Å; I455-L457 HydrophobicContact CG2-CD2 4.47Å
458	D	88.1	Confident	75.1	Confident	5 Å²	5	73.7 Å²	73.7	3%	0.027	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-76.7	139.6	172.8	-59.4	-25.8	0	0	0	109	G419 L439 M441 G460 T477	G419-D458 WeakPolarHBondContact CA-O 3.01Å; L439-D458 HydrophobicContact CB-CB 4Å; L439-D458 PolarHBondContact O-N 3.4Å; M441-D458 WeakPolarHBondContact CA-OD1 3.14Å; M441-D458 WeakPolarHBondContact CB-OD1 3.35Å; M441-D458 WeakPolarHBondContact CG-OD1 3.41Å; D458-G460 PolarHBondContact O-N 2.77Å; D458-T477 HydrophobicContact CB-CG2 4.01Å
459	C	93.9	Very high	77.4	Confident	38 Å²	38	74 Å²	74	26%	0.257	40%	0.395	S	S	.	.			trans	-73.9	115.6	175.6	-60.1	0	0	0	0	110.2	A417 T477 E478	A417-C459 HydrophobicContact CB-CB 4.37Å; A417-C459 WeakPolarHBondContact O-CA 3.42Å; C459-T477 CarbonylContact O-C 3.54Å; C459-T477 WeakPolarHBondContact O-CA 3.32Å; C459-T477 WeakPolarHBondContact O-CB 3.24Å; C459-E478 HydrophobicContact CB-CB 3.72Å; C459-E478 VanDerWaalsContact CB-OE2 3.27Å; C459-E478 WeakPolarHBondContact CB-OE2 3.18Å; C459-E478 PolarHBondContact O-N 3.35Å; C459-E478 PolarHBondContact SG-OE2 3.09Å; C459-E478 VanDerWaalsContact SG-OE2 3.4Å
460	G	95.3	Very high	79.6	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	135.3	175.3	0	0	0	0	0	111.8	S416 A417 D458	S416-G460 CarbonylContact C-O 3.55Å; S416-G460 PolarHBondContact O-N 2.94Å; A417-G460 PolarHBondContact N-O 3.42Å; D458-G460 PolarHBondContact O-N 2.77Å
461	T	97	Very high	81.6	Confident	17 Å²	17	70 Å²	70	10%	0.104	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	-29.8	-173.4	52.2	0	0	0	0	114.5	W397 A476 T477 E478 V504	W397-T461 WeakPolarHBondContact CB-O 3.23Å; T461-A476 PolarHBondContact N-O 3.27Å; T461-A476 PolarHBondContact OG1-O 3.38Å; T461-T477 PolarHBondContact OG1-N 3.45Å; T461-E478 HydrophobicContact CG2-CB 3.92Å; T461-V504 VanDerWaalsContact CB-O 3.25Å; T461-V504 WeakPolarHBondContact CB-O 3.25Å; T461-V504 PolarHBondContact OG1-O 2.9Å
462	A	97.4	Very high	84	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.008	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	160.3	177.5	0	0	0	0	0	110.4	E398 A476 V507	E398-A462 VanDerWaalsContact OE2-CA 3.25Å; E398-A462 WeakPolarHBondContact OE2-CA 3.18Å; E398-A462 WeakPolarHBondContact OE2-CB 3.31Å; A462-A476 HydrophobicContact CB-CB 4.07Å; A462-A476 PolarHBondContact O-N 2.9Å; A462-V507 HydrophobicContact CB-CG1 4.27Å
463	F	97.3	Very high	86.4	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	151.6	171.5	74.3	-82.4	0	0	0	111.7	E398 R400 F413 I415 F465 L474 V475	E398-F463 HydrophobicContact CB-CD1 3.92Å; E398-F463 HydrophobicContact CB-CE1 3.85Å; E398-F463 VanDerWaalsContact CD-O 3.29Å; E398-F463 HydrophobicContact CG-CD1 4.14Å; E398-F463 HydrophobicContact CG-CE1 3.95Å; E398-F463 WeakPolarHBondContact O-CE1 3.22Å; E398-F463 PolarHBondContact OE2-N 2.91Å; E398-F463 VanDerWaalsContact OE2-O 3.11Å; R400-F463 HydrophobicContact CB-CE2 3.82Å; R400-F463 HydrophobicContact CB-CZ 3.77Å; R400-F463 HydrophobicContact CG-CE2 3.85Å; R400-F463 HydrophobicContact CG-CZ 3.78Å; F413-F463 HydrophobicContact CB-CE2 4Å; F413-F463 HydrophobicContact CB-CZ 3.89Å; I415-F463 HydrophobicContact CB-CD1 3.59Å; I415-F463 HydrophobicContact CB-CE1 4.02Å; I415-F463 HydrophobicContact CD1-CB 4.43Å; I415-F463 HydrophobicContact CG2-CD1 3.49Å; I415-F463 VanDerWaalsContact CG2-CD1 3.49Å; I415-F463 HydrophobicContact CG2-CE1 3.94Å; F463-F465 HydrophobicContact CD2-CD2 4.44Å; F463-F465 HydrophobicContact CD2-CE2 4.15Å; F463-F465 HydrophobicContact CD2-CZ 4.33Å; F463-F465 AromaticContact CE2-CD2 4Å; F463-F465 HydrophobicContact CE2-CD2 4Å; F463-F465 AromaticContact CE2-CE2 3.44Å; F463-F465 HydrophobicContact CE2-CE2 3.44Å; F463-F465 VanDerWaalsContact CE2-CE2 3.44Å; F463-F465 AromaticContact CE2-CZ 3.84Å; F463-F465 HydrophobicContact CE2-CZ 3.84Å; F463-F465 HydrophobicContact CZ-CE2 4.44Å; F463-L474 CarbonylContact C-O 3.57Å; F463-L474 WeakPolarHBondContact CA-O 3.39Å; F463-L474 WeakPolarHBondContact CB-O 3.26Å; F463-V475 HydrophobicContact CB-CG2 4.35Å
464	D	97	Very high	88.7	Confident	25 Å²	25	45.4 Å²	45.4	13%	0.134	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	138.3	174.9	-168.9	23.9	0	0	0	112.3	F473 L474 V507 A508 W509	D464-F473 CarbonylContact O-C 3.58Å; D464-F473 VanDerWaalsContact O-CA 3.24Å; D464-F473 WeakPolarHBondContact O-CA 3.33Å; D464-F473 VanDerWaalsContact O-CB 3.3Å; D464-F473 WeakPolarHBondContact O-CB 3.41Å; D464-L474 PolarHBondContact N-O 2.83Å; D464-L474 PolarHBondContact O-N 2.95Å; D464-V507 HydrophobicContact CB-CG1 4.46Å; D464-V507 WeakPolarHBondContact CB-O 3.11Å; D464-A508 WeakPolarHBondContact OD2-CA 3.45Å; D464-W509 PolarHBondContact O-NE1 3.44Å; D464-W509 VanDerWaalsContact O-NE1 3.16Å; D464-W509 PolarHBondContact OD2-N 3.26Å
465	F	96.1	Very high	90.9	Very high	13 Å²	13	40.4 Å²	40.4	6%	0.057	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	139.7	-179.4	-73.9	-71.1	0	0	0	111.2	R400 Q402 F413 F463 R467 F473 W509	R400-F465 HydrophobicContact CB-CD2 4.24Å; R400-F465 HydrophobicContact CB-CE2 4.11Å; Q402-F465 HydrophobicContact CG-CD2 3.81Å; Q402-F465 HydrophobicContact CG-CE1 4.27Å; Q402-F465 HydrophobicContact CG-CE2 3.36Å; Q402-F465 HydrophobicContact CG-CG 4.35Å; Q402-F465 HydrophobicContact CG-CZ 3.69Å; F413-F465 HydrophobicContact CB-CE2 4.05Å; F413-F465 HydrophobicContact CB-CZ 3.76Å; F413-F465 AromaticContact CD1-CZ 3.99Å; F413-F465 HydrophobicContact CD1-CZ 3.99Å; F413-F465 HydrophobicContact CD2-CE2 4.12Å; F413-F465 AromaticContact CD2-CZ 3.58Å; F413-F465 HydrophobicContact CD2-CZ 3.58Å; F413-F465 HydrophobicContact CE1-CZ 4.47Å; F413-F465 HydrophobicContact CE2-CZ 4.12Å; F413-F465 HydrophobicContact CG-CE2 4.19Å; F413-F465 AromaticContact CG-CZ 3.52Å; F413-F465 HydrophobicContact CG-CZ 3.52Å; F463-F465 HydrophobicContact CD2-CD2 4.44Å; F463-F465 HydrophobicContact CD2-CE2 4.15Å; F463-F465 HydrophobicContact CD2-CZ 4.33Å; F463-F465 AromaticContact CE2-CD2 4Å; F463-F465 HydrophobicContact CE2-CD2 4Å; F463-F465 AromaticContact CE2-CE2 3.44Å; F463-F465 HydrophobicContact CE2-CE2 3.44Å; F463-F465 VanDerWaalsContact CE2-CE2 3.44Å; F463-F465 AromaticContact CE2-CZ 3.84Å; F463-F465 HydrophobicContact CE2-CZ 3.84Å; F463-F465 HydrophobicContact CZ-CE2 4.44Å; F465-R467 PolarHBondContact O-N 3.39Å; F465-F473 HydrophobicContact CD1-CB 3.55Å; F465-F473 HydrophobicContact CD1-CD1 4.22Å; F465-F473 HydrophobicContact CD1-CG 4.11Å; F465-F473 HydrophobicContact CE1-CB 3.85Å; F465-F473 AromaticContact CE1-CD1 3.85Å; F465-F473 HydrophobicContact CE1-CD1 3.85Å; F465-F473 AromaticContact CE1-CG 3.9Å; F465-F473 HydrophobicContact CE1-CG 3.9Å; F465-F473 HydrophobicContact CG-CB 4.27Å; F465-W509 VanDerWaalsContact C-CD1 3.46Å; F465-W509 VanDerWaalsContact O-CD1 3.25Å
466	H	95.3	Very high	92.6	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.014	18%	0.178	C	C	.	.			trans	-67.1	132	175.2	-171.1	-54.5	0	0	0	110.3	T468 Q469 I472 W509 P514	H466-T468 PolarHBondContact CE1-OG1 3.49Å; H466-T468 PolarHBondContact ND1-N 3.49Å; H466-T468 PolarHBondContact ND1-OG1 3.08Å; H466-T468 PolarHBondContact O-N 3.38Å; H466-Q469 HydrophobicContact CB-CB 4.36Å; H466-Q469 PolarHBondContact ND1-N 2.98Å; H466-I472 HydrophobicContact CB-CB 4.02Å; H466-I472 HydrophobicContact CB-CG2 4.24Å; H466-I472 WeakPolarHBondContact CB-O 3.48Å; H466-I472 PolarHBondContact N-O 2.92Å; H466-W509 HydrophobicContact CB-CZ2 4.35Å; H466-W509 AromaticContact CD2-CH2 3.88Å; H466-W509 AromaticContact CD2-CZ2 3.88Å; H466-P514 PolarHBondContact NE2-O 3.27Å; H466-P514 VanDerWaalsContact NE2-O 3.09Å
467	R	89.8	Confident	93.6	Very high	141 Å²	141	31.9 Å²	31.9	53%	0.532	16%	0.16	S	C	.	.	S	Bend	trans	-65.7	-39.2	-170.5	-65.8	-170.3	167.7	-117	-23	115.5	F465	F465-R467 PolarHBondContact O-N 3.39Å
468	T	88.9	Confident	94.1	Very high	104 Å²	104	33.5 Å²	33.5	64%	0.638	17%	0.166	S	C	*	.	S	Bend	trans	-95.5	-29.6	178.3	59.9	0	0	0	0	113.3	H466	H466-T468 PolarHBondContact CE1-OG1 3.49Å; H466-T468 PolarHBondContact ND1-N 3.49Å; H466-T468 PolarHBondContact ND1-OG1 3.08Å; H466-T468 PolarHBondContact O-N 3.38Å
469	Q	91	Very high	94.3	Very high	76 Å²	76	38.2 Å²	38.2	36%	0.355	19%	0.188	S	C	.	.			trans	-110.9	82.4	-175.9	-59.7	-173.4	28.4	0	0	110.6	H466 H471 I472	H466-Q469 HydrophobicContact CB-CB 4.36Å; H466-Q469 PolarHBondContact ND1-N 2.98Å; Q469-H471 PolarHBondContact O-N 2.91Å; Q469-I472 HydrophobicContact CB-CB 4.43Å; Q469-I472 HydrophobicContact CB-CD1 4.38Å; Q469-I472 HydrophobicContact CB-CG1 4.3Å; Q469-I472 PolarHBondContact O-N 2.77Å
470	N	86.6	Confident	94.3	Very high	80 Å²	80	36.4 Å²	36.4	43%	0.428	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-17.1	-173.9	-63.3	-8.5	0	0	0	115.3	K487	N470-K487 WeakPolarHBondContact O-CD 3.48Å; N470-K487 WeakPolarHBondContact O-CE 3.4Å; N470-K487 PolarHBondContact O-NZ 3.14Å
471	H	89.6	Confident	94.3	Very high	90 Å²	90	38.4 Å²	38.4	42%	0.417	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-13.9	178.1	68.7	-78.7	0	0	0	113.1	Q469 S486 K487	Q469-H471 PolarHBondContact O-N 2.91Å; H471-S486 CarbonylContact O-C 3.59Å; H471-S486 WeakPolarHBondContact O-CA 3.44Å; H471-K487 PolarHBondContact O-N 3.4Å
472	I	94	Very high	94.3	Very high	9 Å²	9	37.6 Å²	37.6	5%	0.046	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	141.8	-179.2	-59.2	-170.5	0	0	0	110.1	H466 Q469 K484 C485 L494 W509	H466-I472 HydrophobicContact CB-CB 4.02Å; H466-I472 HydrophobicContact CB-CG2 4.24Å; H466-I472 WeakPolarHBondContact CB-O 3.48Å; H466-I472 PolarHBondContact N-O 2.92Å; Q469-I472 HydrophobicContact CB-CB 4.43Å; Q469-I472 HydrophobicContact CB-CD1 4.38Å; Q469-I472 HydrophobicContact CB-CG1 4.3Å; Q469-I472 PolarHBondContact O-N 2.77Å; I472-K484 HydrophobicContact CG2-CD 4.43Å; I472-K484 HydrophobicContact CG2-CG 4.01Å; I472-C485 WeakPolarHBondContact CA-O 3.37Å; I472-L494 HydrophobicContact CD1-CD1 4.46Å; I472-W509 HydrophobicContact CG2-CZ2 4.5Å
473	F	95.8	Very high	94.2	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	160	172.2	56.7	-78.7	0	0	0	111.2	V421 V437 D464 F465 V475 C485 K487	V421-F473 HydrophobicContact CB-CE2 4.49Å; V421-F473 HydrophobicContact CG1-CE2 3.98Å; V421-F473 HydrophobicContact CG1-CZ 4.37Å; V421-F473 HydrophobicContact CG2-CE2 4.4Å; V437-F473 HydrophobicContact CG2-CE2 4.19Å; V437-F473 HydrophobicContact CG2-CZ 3.61Å; D464-F473 CarbonylContact O-C 3.58Å; D464-F473 VanDerWaalsContact O-CA 3.24Å; D464-F473 WeakPolarHBondContact O-CA 3.33Å; D464-F473 VanDerWaalsContact O-CB 3.3Å; D464-F473 WeakPolarHBondContact O-CB 3.41Å; F465-F473 HydrophobicContact CD1-CB 3.55Å; F465-F473 HydrophobicContact CD1-CD1 4.22Å; F465-F473 HydrophobicContact CD1-CG 4.11Å; F465-F473 HydrophobicContact CE1-CB 3.85Å; F465-F473 AromaticContact CE1-CD1 3.85Å; F465-F473 HydrophobicContact CE1-CD1 3.85Å; F465-F473 AromaticContact CE1-CG 3.9Å; F465-F473 HydrophobicContact CE1-CG 3.9Å; F465-F473 HydrophobicContact CG-CB 4.27Å; F473-V475 HydrophobicContact CD2-CG2 3.53Å; F473-V475 HydrophobicContact CE2-CG2 3.43Å; F473-V475 VanDerWaalsContact CE2-CG2 3.43Å; F473-C485 HydrophobicContact CD1-CB 4.47Å; F473-C485 HydrophobicContact CD2-CB 4.14Å; F473-C485 HydrophobicContact CE1-CB 4.06Å; F473-C485 HydrophobicContact CE2-CB 3.69Å; F473-C485 HydrophobicContact CZ-CB 3.66Å; F473-C485 PolarHBondContact N-O 2.82Å; F473-C485 VanDerWaalsContact N-O 3.09Å; F473-C485 PolarHBondContact O-N 2.9Å; F473-K487 HydrophobicContact CD1-CG 4.14Å; F473-K487 HydrophobicContact CE1-CG 3.82Å
474	L	96.8	Very high	94.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	144.4	172.3	-62.3	171.1	0	0	0	108.9	F463 D464 V482 F483 K484 Y497 V507 W509 F517	F463-L474 CarbonylContact C-O 3.57Å; F463-L474 WeakPolarHBondContact CA-O 3.39Å; F463-L474 WeakPolarHBondContact CB-O 3.26Å; D464-L474 PolarHBondContact N-O 2.83Å; D464-L474 PolarHBondContact O-N 2.95Å; L474-V482 HydrophobicContact CB-CG1 4.25Å; L474-V482 HydrophobicContact CD2-CG1 4.33Å; L474-F483 CarbonylContact C-O 3.53Å; L474-F483 WeakPolarHBondContact CA-O 3.42Å; L474-K484 HydrophobicContact CD2-CB 3.96Å; L474-K484 HydrophobicContact CD2-CG 4.24Å; L474-Y497 HydrophobicContact CD2-CE2 4.34Å; L474-V507 HydrophobicContact CB-CG1 4.35Å; L474-V507 HydrophobicContact CB-CG2 3.79Å; L474-V507 HydrophobicContact CD1-CG2 3.59Å; L474-V507 HydrophobicContact CG-CG2 4.34Å; L474-W509 HydrophobicContact CD1-CD2 3.98Å; L474-W509 VanDerWaalsContact CD1-CE2 3.43Å; L474-W509 HydrophobicContact CD1-CE3 4.46Å; L474-W509 HydrophobicContact CD1-CH2 4Å; L474-W509 HydrophobicContact CD1-CZ2 3.49Å; L474-W509 VanDerWaalsContact CD1-CZ2 3.49Å; L474-W509 HydrophobicContact CD1-CZ3 4.46Å; L474-W509 HydrophobicContact CD2-CH2 4.18Å; L474-W509 HydrophobicContact CD2-CZ2 3.71Å; L474-W509 HydrophobicContact CG-CH2 4.16Å; L474-W509 HydrophobicContact CG-CZ2 3.34Å; L474-F517 HydrophobicContact CD1-CB 3.6Å; L474-F517 HydrophobicContact CD1-CD1 3.75Å; L474-F517 HydrophobicContact CD1-CD2 3.63Å; L474-F517 HydrophobicContact CD1-CE1 4.28Å; L474-F517 HydrophobicContact CD1-CE2 4.17Å; L474-F517 HydrophobicContact CD1-CG 3.38Å; L474-F517 HydrophobicContact CD1-CZ 4.46Å
475	V	96.7	Very high	93.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.8	176.2	178.5	0	0	0	0	108.3	I415 V421 L439 F463 F473 V482 F483 C485	I415-V475 HydrophobicContact CD1-CG1 3.47Å; I415-V475 VanDerWaalsContact CD1-CG1 3.47Å; V421-V475 HydrophobicContact CG2-CG1 4.29Å; V421-V475 HydrophobicContact CG2-CG2 3.96Å; L439-V475 HydrophobicContact CD1-CG1 3.75Å; L439-V475 HydrophobicContact CD2-CB 4.38Å; L439-V475 HydrophobicContact CD2-CG1 3.72Å; L439-V475 HydrophobicContact CG-CG1 4.31Å; F463-V475 HydrophobicContact CB-CG2 4.35Å; F473-V475 HydrophobicContact CD2-CG2 3.53Å; F473-V475 HydrophobicContact CE2-CG2 3.43Å; F473-V475 VanDerWaalsContact CE2-CG2 3.43Å; V475-V482 CarbonylContact O-C 3.59Å; V475-V482 VanDerWaalsContact O-CA 3.26Å; V475-V482 WeakPolarHBondContact O-CA 3.3Å; V475-F483 PolarHBondContact N-O 2.81Å; V475-F483 PolarHBondContact O-N 2.83Å; V475-C485 HydrophobicContact CG2-CB 4.45Å
476	A	97.1	Very high	93.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	152.6	177	0	0	0	0	0	110.7	T461 A462 V482 V504 V507	T461-A476 PolarHBondContact N-O 3.27Å; T461-A476 PolarHBondContact OG1-O 3.38Å; A462-A476 HydrophobicContact CB-CB 4.07Å; A462-A476 PolarHBondContact O-N 2.9Å; A476-V482 HydrophobicContact CB-CG2 4.3Å; A476-V504 HydrophobicContact CB-CB 3.89Å; A476-V504 HydrophobicContact CB-CG1 3.66Å; A476-V507 HydrophobicContact CB-CB 4.34Å; A476-V507 HydrophobicContact CB-CG1 4.07Å
477	T	96.6	Very high	93.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	162.6	-177.1	62.8	0	0	0	0	113.3	L439 D458 C459 T461 E479 G480 M481 F483 V504	L439-T477 HydrophobicContact CD1-CG2 4.2Å; D458-T477 HydrophobicContact CB-CG2 4.01Å; C459-T477 CarbonylContact O-C 3.54Å; C459-T477 WeakPolarHBondContact O-CA 3.32Å; C459-T477 WeakPolarHBondContact O-CB 3.24Å; T461-T477 PolarHBondContact OG1-N 3.45Å; T477-E479 PolarHBondContact O-N 3.16Å; T477-G480 PolarHBondContact O-N 2.84Å; T477-M481 PolarHBondContact N-O 2.96Å; T477-M481 WeakPolarHBondContact OG1-CA 3.47Å; T477-M481 WeakPolarHBondContact OG1-CB 3.38Å; T477-M481 PolarHBondContact OG1-N 2.86Å; T477-M481 PolarHBondContact OG1-O 3.44Å; T477-F483 HydrophobicContact CG2-CD2 4Å; T477-F483 HydrophobicContact CG2-CE2 3.69Å; T477-V504 PolarHBondContact O-N 2.87Å; T477-V504 VanDerWaalsContact O-N 3.16Å
478	E	95.5	Very high	93.1	Very high	102 Å²	102	37 Å²	37	48%	0.477	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-26.6	174.5	-165.3	177.4	173.9	0	0	112.5	C459 T461 G480 M502 A503	C459-E478 HydrophobicContact CB-CB 3.72Å; C459-E478 VanDerWaalsContact CB-OE2 3.27Å; C459-E478 WeakPolarHBondContact CB-OE2 3.18Å; C459-E478 PolarHBondContact O-N 3.35Å; C459-E478 PolarHBondContact SG-OE2 3.09Å; C459-E478 VanDerWaalsContact SG-OE2 3.4Å; T461-E478 HydrophobicContact CG2-CB 3.92Å; E478-G480 PolarHBondContact O-N 3.06Å; E478-M502 CarbonylContact O-C 3.54Å; E478-A503 HydrophobicContact CG-CB 3.96Å; E478-A503 WeakPolarHBondContact O-CA 3.49Å; E478-A503 PolarHBondContact O-N 3.26Å
479	E	93.1	Very high	92.6	Very high	104 Å²	104	39.1 Å²	39.1	49%	0.486	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-1.8	180	-57.6	-165.8	161.6	0	0	113.7	T477	T477-E479 PolarHBondContact O-N 3.16Å
480	G	94.4	Very high	91.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	94.7	2.2	-179.8	0	0	0	0	0	114.8	T477 E478 A499 H500 M502	T477-G480 PolarHBondContact O-N 2.84Å; E478-G480 PolarHBondContact O-N 3.06Å; G480-A499 WeakPolarHBondContact O-CA 3.44Å; G480-A499 WeakPolarHBondContact O-CB 3.45Å; G480-A499 PolarHBondContact O-N 3.04Å; G480-A499 VanDerWaalsContact O-N 3.08Å; G480-H500 WeakPolarHBondContact CA-O 3.32Å; G480-H500 PolarHBondContact O-N 3.03Å; G480-M502 VanDerWaalsContact CA-O 3.31Å; G480-M502 WeakPolarHBondContact CA-O 3.44Å
481	M	95.1	Very high	91.4	Very high	41 Å²	41	39.4 Å²	39.4	20%	0.202	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	145.8	-179.6	-55	-62.8	-70.8	0	0	111.6	T477 F483 T496 E498	T477-M481 PolarHBondContact N-O 2.96Å; T477-M481 WeakPolarHBondContact OG1-CA 3.47Å; T477-M481 WeakPolarHBondContact OG1-CB 3.38Å; T477-M481 PolarHBondContact OG1-N 2.86Å; T477-M481 PolarHBondContact OG1-O 3.44Å; M481-F483 HydrophobicContact CB-CE1 4.39Å; M481-F483 HydrophobicContact CB-CE2 3.93Å; M481-F483 HydrophobicContact CB-CZ 3.78Å; M481-F483 HydrophobicContact CE-CE1 4.5Å; M481-F483 HydrophobicContact CG-CZ 4.35Å; M481-T496 HydrophobicContact CE-CG2 3.35Å; M481-E498 HydrophobicContact CE-CG 3.65Å; M481-E498 HydrophobicContact SD-CB 4.3Å; M481-E498 HydrophobicContact SD-CG 3.81Å
482	V	96.4	Very high	91	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.4	167.7	176.7	0	0	0	0	109.5	L474 V475 A476 Y497 A499 V504 V507 F517 T519	L474-V482 HydrophobicContact CB-CG1 4.25Å; L474-V482 HydrophobicContact CD2-CG1 4.33Å; V475-V482 CarbonylContact O-C 3.59Å; V475-V482 VanDerWaalsContact O-CA 3.26Å; V475-V482 WeakPolarHBondContact O-CA 3.3Å; A476-V482 HydrophobicContact CB-CG2 4.3Å; V482-Y497 HydrophobicContact CB-CD2 4.33Å; V482-Y497 HydrophobicContact CG1-CD2 4.17Å; V482-Y497 PolarHBondContact N-O 2.93Å; V482-Y497 WeakPolarHBondContact O-CD2 3.38Å; V482-Y497 PolarHBondContact O-N 2.86Å; V482-A499 HydrophobicContact CB-CB 4.24Å; V482-A499 HydrophobicContact CG2-CB 3.68Å; V482-V504 HydrophobicContact CG2-CG1 4.4Å; V482-V504 HydrophobicContact CG2-CG2 4.44Å; V482-V507 HydrophobicContact CG1-CG2 4.43Å; V482-F517 HydrophobicContact CG1-CE2 4.32Å; V482-T519 HydrophobicContact CG2-CG2 4.06Å
483	F	95	Very high	90.8	Very high	10 Å²	10	43.8 Å²	43.8	4%	0.044	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.4	-179.9	-58.4	-69.4	0	0	0	110.8	L439 L474 V475 T477 M481 Y493 T496	L439-F483 HydrophobicContact CD2-CD2 4.06Å; L474-F483 CarbonylContact C-O 3.53Å; L474-F483 WeakPolarHBondContact CA-O 3.42Å; V475-F483 PolarHBondContact N-O 2.81Å; V475-F483 PolarHBondContact O-N 2.83Å; T477-F483 HydrophobicContact CG2-CD2 4Å; T477-F483 HydrophobicContact CG2-CE2 3.69Å; M481-F483 HydrophobicContact CB-CE1 4.39Å; M481-F483 HydrophobicContact CB-CE2 3.93Å; M481-F483 HydrophobicContact CB-CZ 3.78Å; M481-F483 HydrophobicContact CE-CE1 4.5Å; M481-F483 HydrophobicContact CG-CZ 4.35Å; F483-Y493 HydrophobicContact CB-CD1 4.13Å; F483-Y493 HydrophobicContact CB-CG 4.23Å; F483-Y493 HydrophobicContact CD1-CD1 4.39Å; F483-Y493 AromaticContact CD1-CD2 3.56Å; F483-Y493 HydrophobicContact CD1-CD2 3.56Å; F483-Y493 AromaticContact CD1-CE2 3.83Å; F483-Y493 HydrophobicContact CD1-CE2 3.83Å; F483-Y493 AromaticContact CD1-CG 3.86Å; F483-Y493 HydrophobicContact CD1-CG 3.86Å; F483-Y493 AromaticContact CE1-CD2 3.81Å; F483-Y493 HydrophobicContact CE1-CD2 3.81Å; F483-Y493 AromaticContact CE1-CE2 3.73Å; F483-Y493 HydrophobicContact CE1-CE2 3.73Å; F483-Y493 HydrophobicContact CG-CD1 4.28Å; F483-Y493 HydrophobicContact CG-CD2 4.23Å; F483-Y493 HydrophobicContact CG-CE1 4.39Å; F483-Y493 HydrophobicContact CG-CE2 4.32Å; F483-Y493 HydrophobicContact CG-CG 4.21Å; F483-Y493 HydrophobicContact CZ-CE2 4.14Å; F483-T496 HydrophobicContact CD1-CG2 3.81Å; F483-T496 HydrophobicContact CE1-CG2 3.51Å
484	K	94.8	Very high	90.6	Very high	31 Å²	31	47.9 Å²	47.9	14%	0.135	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	118.2	167.5	-175.5	-179.9	173.5	174.8	0	108.7	I472 L474 L494 A495 Y497	I472-K484 HydrophobicContact CG2-CD 4.43Å; I472-K484 HydrophobicContact CG2-CG 4.01Å; L474-K484 HydrophobicContact CD2-CB 3.96Å; L474-K484 HydrophobicContact CD2-CG 4.24Å; K484-L494 HydrophobicContact CB-CB 4.34Å; K484-L494 HydrophobicContact CD-CB 4.25Å; K484-L494 HydrophobicContact CG-CB 4.09Å; K484-L494 HydrophobicContact CG-CD1 4.35Å; K484-L494 WeakPolarHBondContact O-CB 3.28Å; K484-L494 PolarHBondContact O-N 2.97Å; K484-A495 HydrophobicContact CB-CB 3.86Å; K484-A495 HydrophobicContact CD-CB 4.28Å; K484-A495 PolarHBondContact N-O 3.3Å; K484-A495 PolarHBondContact O-N 2.94Å; K484-Y497 HydrophobicContact CB-CE2 4.24Å
485	C	93.8	Very high	90.4	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.007	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	163.6	-175.6	-62.4	0	0	0	0	111.4	V437 I472 F473 V475	V437-C485 HydrophobicContact CG2-CB 3.96Å; I472-C485 WeakPolarHBondContact CA-O 3.37Å; F473-C485 HydrophobicContact CD1-CB 4.47Å; F473-C485 HydrophobicContact CD2-CB 4.14Å; F473-C485 HydrophobicContact CE1-CB 4.06Å; F473-C485 HydrophobicContact CE2-CB 3.69Å; F473-C485 HydrophobicContact CZ-CB 3.66Å; F473-C485 PolarHBondContact N-O 2.82Å; F473-C485 VanDerWaalsContact N-O 3.09Å; F473-C485 PolarHBondContact O-N 2.9Å; V475-C485 HydrophobicContact CG2-CB 4.45Å
486	S	92.5	Very high	90.3	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.014	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	140.8	173.1	174.7	0	0	0	0	110.5	H471 A488 Y489	H471-S486 CarbonylContact O-C 3.59Å; H471-S486 WeakPolarHBondContact O-CA 3.44Å; S486-A488 PolarHBondContact O-N 2.85Å; S486-A488 PolarHBondContact OG-N 3.41Å; S486-Y489 PolarHBondContact O-N 2.87Å
487	K	88.7	Confident	90.2	Very high	55 Å²	55	52.8 Å²	52.8	24%	0.239	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.4	173.2	-65.5	-177.5	-178.5	166	0	112.6	Q402 F413 N470 H471 F473	Q402-K487 VanDerWaalsContact CD-NZ 3.34Å; F413-K487 HydrophobicContact CZ-CD 3.99Å; F413-K487 HydrophobicContact CZ-CG 4.37Å; N470-K487 WeakPolarHBondContact O-CD 3.48Å; N470-K487 WeakPolarHBondContact O-CE 3.4Å; N470-K487 PolarHBondContact O-NZ 3.14Å; H471-K487 PolarHBondContact O-N 3.4Å; F473-K487 HydrophobicContact CD1-CG 4.14Å; F473-K487 HydrophobicContact CE1-CG 3.82Å
488	A	83.6	Confident	90.1	Very high	72 Å²	72	60.5 Å²	60.5	60%	0.595	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-22.9	-178.1	0	0	0	0	0	113.6	S486	S486-A488 PolarHBondContact O-N 2.85Å; S486-A488 PolarHBondContact OG-N 3.41Å
489	Y	78.4	Confident	90.1	Very high	148 Å²	148	55.7 Å²	55.7	58%	0.58	29%	0.292	S	S	*	.	B	Isolated β-bridge	trans	-124.3	89.1	-172.8	-58.2	-66	0	0	0	110	S486 S491	S486-Y489 PolarHBondContact O-N 2.87Å; Y489-S491 VanDerWaalsContact C-N 3.28Å; Y489-S491 PolarHBondContact O-N 3.27Å
490	T	75.6	Confident	90.3	Very high	66 Å²	66	51.2 Å²	51.2	41%	0.405	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-21.3	-175	60.6	0	0	0	0	113.8	F434 A436	F434-T490 HydrophobicContact CE1-CG2 4.32Å; F434-T490 HydrophobicContact CZ-CG2 4.14Å; A436-T490 WeakPolarHBondContact O-CA 3.38Å; A436-T490 VanDerWaalsContact O-CB 3.25Å; A436-T490 WeakPolarHBondContact O-CB 3.48Å; A436-T490 WeakPolarHBondContact O-CG2 3.43Å
491	S	75.6	Confident	90.3	Very high	97 Å²	97	59 Å²	59	68%	0.678	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-7.2	-169.9	61.8	0	0	0	0	115.5	Y489	Y489-S491 VanDerWaalsContact C-N 3.28Å; Y489-S491 PolarHBondContact O-N 3.27Å
492	Q	82	Confident	90.4	Very high	139 Å²	139	62 Å²	62	65%	0.65	32%	0.322	S	S	*	.			trans	-139.4	137.6	-173.5	-67.5	-178.5	8.4	0	0	111.3
493	Y	88.9	Confident	90.4	Very high	52 Å²	52	62.8 Å²	62.8	20%	0.204	33%	0.328	C	S	.	.			trans	-80.4	135.9	168.6	-46	-45.8	0	0	0	109.1	V437 L439 K440 F483	V437-Y493 HydrophobicContact CG1-CE1 4.28Å; L439-Y493 WeakPolarHBondContact CA-OH 3.11Å; L439-Y493 HydrophobicContact CD2-CE1 4.27Å; K440-Y493 PolarHBondContact N-OH 3.34Å; K440-Y493 PolarHBondContact O-OH 3.05Å; F483-Y493 HydrophobicContact CB-CD1 4.13Å; F483-Y493 HydrophobicContact CB-CG 4.23Å; F483-Y493 HydrophobicContact CD1-CD1 4.39Å; F483-Y493 AromaticContact CD1-CD2 3.56Å; F483-Y493 HydrophobicContact CD1-CD2 3.56Å; F483-Y493 AromaticContact CD1-CE2 3.83Å; F483-Y493 HydrophobicContact CD1-CE2 3.83Å; F483-Y493 AromaticContact CD1-CG 3.86Å; F483-Y493 HydrophobicContact CD1-CG 3.86Å; F483-Y493 AromaticContact CE1-CD2 3.81Å; F483-Y493 HydrophobicContact CE1-CD2 3.81Å; F483-Y493 AromaticContact CE1-CE2 3.73Å; F483-Y493 HydrophobicContact CE1-CE2 3.73Å; F483-Y493 HydrophobicContact CG-CD1 4.28Å; F483-Y493 HydrophobicContact CG-CD2 4.23Å; F483-Y493 HydrophobicContact CG-CE1 4.39Å; F483-Y493 HydrophobicContact CG-CE2 4.32Å; F483-Y493 HydrophobicContact CG-CG 4.21Å; F483-Y493 HydrophobicContact CZ-CE2 4.14Å
494	L	92.2	Very high	90.5	Very high	86 Å²	86	62.3 Å²	62.3	45%	0.45	33%	0.326	S	S	.	.	S	Bend	trans	-73.3	-33.7	174.7	-63.3	179.3	0	0	0	111.8	I472 K484	I472-L494 HydrophobicContact CD1-CD1 4.46Å; K484-L494 HydrophobicContact CB-CB 4.34Å; K484-L494 HydrophobicContact CD-CB 4.25Å; K484-L494 HydrophobicContact CG-CB 4.09Å; K484-L494 HydrophobicContact CG-CD1 4.35Å; K484-L494 WeakPolarHBondContact O-CB 3.28Å; K484-L494 PolarHBondContact O-N 2.97Å
495	A	93	Very high	90.6	Very high	28 Å²	28	66.1 Å²	66.1	23%	0.231	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	155.8	175	0	0	0	0	0	110	K484 Y497	K484-A495 HydrophobicContact CB-CB 3.86Å; K484-A495 HydrophobicContact CD-CB 4.28Å; K484-A495 PolarHBondContact N-O 3.3Å; K484-A495 PolarHBondContact O-N 2.94Å; A495-Y497 HydrophobicContact CB-CE2 4.06Å
496	T	93.4	Very high	90.8	Very high	71 Å²	71	68.3 Å²	68.3	44%	0.436	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131	177.1	-59.8	0	0	0	0	108.5	M481 F483	M481-T496 HydrophobicContact CE-CG2 3.35Å; F483-T496 HydrophobicContact CD1-CG2 3.81Å; F483-T496 HydrophobicContact CE1-CG2 3.51Å
497	Y	95.4	Very high	91.1	Very high	4 Å²	4	68.2 Å²	68.2	2%	0.016	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120.3	176.8	-48.8	-86.5	0	0	0	108.7	L474 V482 K484 A495 A499 F517 W529 Q531 K533	L474-Y497 HydrophobicContact CD2-CE2 4.34Å; V482-Y497 HydrophobicContact CB-CD2 4.33Å; V482-Y497 HydrophobicContact CG1-CD2 4.17Å; V482-Y497 PolarHBondContact N-O 2.93Å; V482-Y497 WeakPolarHBondContact O-CD2 3.38Å; V482-Y497 PolarHBondContact O-N 2.86Å; K484-Y497 HydrophobicContact CB-CE2 4.24Å; A495-Y497 HydrophobicContact CB-CE2 4.06Å; Y497-A499 PolarHBondContact O-N 3.38Å; Y497-F517 HydrophobicContact CD1-CZ 4.29Å; Y497-F517 AromaticContact CD2-CZ 3.92Å; Y497-F517 HydrophobicContact CD2-CZ 3.92Å; Y497-F517 HydrophobicContact CE1-CE1 4.43Å; Y497-F517 HydrophobicContact CE1-CZ 4.27Å; Y497-F517 HydrophobicContact CE2-CE1 4.19Å; Y497-F517 AromaticContact CE2-CZ 3.9Å; Y497-F517 HydrophobicContact CE2-CZ 3.9Å; Y497-F517 HydrophobicContact CG-CZ 4.13Å; Y497-W529 HydrophobicContact CD1-CE3 4.2Å; Y497-Q531 VanDerWaalsContact OH-CA 3.24Å; Y497-Q531 WeakPolarHBondContact OH-CA 3.26Å; Y497-Q531 PolarHBondContact OH-O 3.08Å; Y497-K533 WeakPolarHBondContact CE1-O 3.37Å
498	E	94.9	Very high	91.5	Very high	162 Å²	162	66.2 Å²	66.2	76%	0.757	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	79.3	168.3	-70.4	177.1	-176	0	0	108	M481	M481-E498 HydrophobicContact CE-CG 3.65Å; M481-E498 HydrophobicContact SD-CB 4.3Å; M481-E498 HydrophobicContact SD-CG 3.81Å
499	A	94.9	Very high	92.2	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.314	C	S	.	.			trans	-79.6	-46.8	-162.6	0	0	0	0	0	112.5	G480 V482 Y497 K527 W529	G480-A499 WeakPolarHBondContact O-CA 3.44Å; G480-A499 WeakPolarHBondContact O-CB 3.45Å; G480-A499 PolarHBondContact O-N 3.04Å; G480-A499 VanDerWaalsContact O-N 3.08Å; V482-A499 HydrophobicContact CB-CB 4.24Å; V482-A499 HydrophobicContact CG2-CB 3.68Å; Y497-A499 PolarHBondContact O-N 3.38Å; A499-K527 WeakPolarHBondContact O-CD 3.31Å; A499-K527 WeakPolarHBondContact O-CE 3.32Å; A499-K527 PolarHBondContact O-NZ 3.11Å; A499-W529 VanDerWaalsContact CA-CZ2 3.41Å; A499-W529 HydrophobicContact CB-CH2 4.29Å; A499-W529 HydrophobicContact CB-CZ2 3.71Å
500	H	97.2	Very high	93.1	Very high	11 Å²	11	56 Å²	56	5%	0.051	29%	0.287	C	S	.	.			trans	-142.1	169.1	-171.8	-71.5	-84.7	0	0	0	111.1	G480 V504 T519 S521 D523 T525	G480-H500 WeakPolarHBondContact CA-O 3.32Å; G480-H500 PolarHBondContact O-N 3.03Å; H500-V504 HydrophobicContact CB-CG2 3.97Å; H500-T519 WeakPolarHBondContact NE2-CB 3.44Å; H500-T519 PolarHBondContact NE2-OG1 3.22Å; H500-S521 VanDerWaalsContact ND1-CB 3.27Å; H500-S521 WeakPolarHBondContact ND1-CB 3.36Å; H500-D523 WeakPolarHBondContact CA-OD2 3.34Å; H500-D523 VanDerWaalsContact CB-OD2 3.29Å; H500-D523 WeakPolarHBondContact CB-OD2 3.35Å; H500-D523 IonicContact CE1-OD1 3.69Å; H500-D523 IonicContact CG-OD2 2.65Å; H500-D523 IonicContact ND1-OD1 3.98Å; H500-D523 PolarHBondContact ND1-OD1 3.17Å; H500-D523 IonicContact ND1-OD2 3.87Å; H500-D523 PolarHBondContact ND1-OD2 3.47Å; H500-T525 PolarHBondContact CE1-O 3.03Å; H500-T525 PolarHBondContact CE1-OG1 3.22Å; H500-T525 PolarHBondContact ND1-OG1 3.11Å
501	H	95.3	Very high	93.9	Very high	164 Å²	164	55.1 Å²	55.1	76%	0.759	28%	0.279	S	S	*	.	S	Bend	trans	-98.4	-3.3	178.2	-54.4	93.7	0	0	0	113.2	D523	H501-D523 PolarHBondContact N-OD2 2.97Å; H501-D523 VanDerWaalsContact N-OD2 3.15Å; H501-D523 IonicContact ND1-OD2 2.92Å
502	M	96.2	Very high	94.8	Very high	104 Å²	104	53 Å²	53	51%	0.512	26%	0.258	S	S	.	.	S	Bend	trans	-142.6	178.4	178.4	-57.8	-171.3	80.8	0	0	109.3	E478 G480 V504 S521 A522 D523	E478-M502 CarbonylContact O-C 3.54Å; G480-M502 VanDerWaalsContact CA-O 3.31Å; G480-M502 WeakPolarHBondContact CA-O 3.44Å; M502-V504 PolarHBondContact O-N 2.95Å; M502-S521 PolarHBondContact O-OG 2.8Å; M502-A522 HydrophobicContact CB-CB 3.92Å; M502-A522 HydrophobicContact SD-CB 4.32Å; M502-D523 HydrophobicContact CB-CB 4.12Å; M502-D523 HydrophobicContact CG-CB 4.03Å; M502-D523 HydrophobicContact SD-CB 4.43Å
503	A	96.7	Very high	95.3	Very high	15 Å²	15	46.8 Å²	46.8	12%	0.124	23%	0.229	C	C	.	.			trans	-47.5	125.6	-178.7	0	0	0	0	0	113.2	E478 Y505 S521 A522	E478-A503 HydrophobicContact CG-CB 3.96Å; E478-A503 WeakPolarHBondContact O-CA 3.49Å; E478-A503 PolarHBondContact O-N 3.26Å; A503-Y505 HydrophobicContact CB-CD1 4.24Å; A503-Y505 HydrophobicContact CB-CE1 3.76Å; A503-S521 VanDerWaalsContact O-CA 3.26Å; A503-S521 WeakPolarHBondContact O-CA 3.41Å; A503-S521 WeakPolarHBondContact O-CB 3.34Å; A503-S521 PolarHBondContact O-OG 2.9Å; A503-A522 PolarHBondContact O-N 3.34Å
504	V	98	Very high	95.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	115.4	172.8	-179.1	0	0	0	0	107.4	T461 A476 T477 V482 H500 M502 R506 C520	T461-V504 VanDerWaalsContact CB-O 3.25Å; T461-V504 WeakPolarHBondContact CB-O 3.25Å; T461-V504 PolarHBondContact OG1-O 2.9Å; A476-V504 HydrophobicContact CB-CB 3.89Å; A476-V504 HydrophobicContact CB-CG1 3.66Å; T477-V504 PolarHBondContact O-N 2.87Å; T477-V504 VanDerWaalsContact O-N 3.16Å; V482-V504 HydrophobicContact CG2-CG1 4.4Å; V482-V504 HydrophobicContact CG2-CG2 4.44Å; H500-V504 HydrophobicContact CB-CG2 3.97Å; M502-V504 PolarHBondContact O-N 2.95Å; V504-R506 WeakPolarHBondContact CG1-O 3.31Å; V504-C520 CarbonylContact C-O 3.58Å; V504-C520 WeakPolarHBondContact CA-O 3.44Å; V504-C520 WeakPolarHBondContact CG1-O 3.34Å
505	Y	97.3	Very high	95.7	Very high	111 Å²	111	45 Å²	45	44%	0.435	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-25.1	-176.8	-64	-37.4	0	0	0	113.2	A503 C520 A522 V546	A503-Y505 HydrophobicContact CB-CD1 4.24Å; A503-Y505 HydrophobicContact CB-CE1 3.76Å; Y505-C520 PolarHBondContact N-O 2.93Å; Y505-A522 HydrophobicContact CE2-CB 3.71Å; Y505-A522 WeakPolarHBondContact OH-CB 3.48Å; Y505-V546 VanDerWaalsContact CD2-O 3.32Å; Y505-V546 WeakPolarHBondContact CD2-O 3.49Å
506	R	97.8	Very high	95.9	Very high	47 Å²	47	43.7 Å²	43.7	18%	0.177	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	141.2	178.6	-168	68.5	157.8	-156.6	-20.3	111.3	E398 V504 T519 C520 D548 V549	E398-R506 IonicContact OE1-NH1 3.99Å; V504-R506 WeakPolarHBondContact CG1-O 3.31Å; R506-T519 VanDerWaalsContact O-CA 3.29Å; R506-T519 WeakPolarHBondContact O-CA 3.44Å; R506-C520 WeakPolarHBondContact CB-SG 3.36Å; R506-C520 PolarHBondContact O-N 3.19Å; R506-C520 VanDerWaalsContact O-N 3.11Å; R506-D548 VanDerWaalsContact CD-OD1 3.24Å; R506-D548 WeakPolarHBondContact CD-OD1 3.44Å; R506-D548 VanDerWaalsContact CG-OD1 3.24Å; R506-D548 WeakPolarHBondContact CG-OD1 3.5Å; R506-D548 IonicContact CZ-OD1 3.15Å; R506-D548 IonicContact NE-OD1 3.54Å; R506-D548 PolarHBondContact NE-OD1 2.91Å; R506-D548 IonicContact NH2-OD1 3.47Å; R506-V549 HydrophobicContact CB-CG1 4.06Å; R506-V549 HydrophobicContact CG-CG1 3.99Å
507	V	97.9	Very high	96.1	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.1	162.5	61.1	0	0	0	0	107.9	A462 D464 L474 A476 V482 F517 I518 T519	A462-V507 HydrophobicContact CB-CG1 4.27Å; D464-V507 HydrophobicContact CB-CG1 4.46Å; D464-V507 WeakPolarHBondContact CB-O 3.11Å; L474-V507 HydrophobicContact CB-CG1 4.35Å; L474-V507 HydrophobicContact CB-CG2 3.79Å; L474-V507 HydrophobicContact CD1-CG2 3.59Å; L474-V507 HydrophobicContact CG-CG2 4.34Å; A476-V507 HydrophobicContact CB-CB 4.34Å; A476-V507 HydrophobicContact CB-CG1 4.07Å; V482-V507 HydrophobicContact CG1-CG2 4.43Å; V507-F517 HydrophobicContact CG2-CD2 4.07Å; V507-I518 WeakPolarHBondContact CA-O 3.33Å; V507-T519 HydrophobicContact CB-CG2 4.38Å; V507-T519 HydrophobicContact CG2-CG2 4.09Å
508	A	97.8	Very high	96.2	Very high	13 Å²	13	40.1 Å²	40.1	11%	0.107	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	127.6	178.3	0	0	0	0	0	112	D464 F517 I518 W551	D464-A508 WeakPolarHBondContact OD2-CA 3.45Å; A508-F517 CarbonylContact O-C 3.54Å; A508-F517 VanDerWaalsContact O-CA 3.28Å; A508-F517 WeakPolarHBondContact O-CA 3.46Å; A508-F517 WeakPolarHBondContact O-CB 3.42Å; A508-I518 HydrophobicContact CB-CG2 3.99Å; A508-I518 PolarHBondContact N-O 2.83Å; A508-I518 PolarHBondContact O-N 2.87Å; A508-W551 PolarHBondContact O-NE1 3.35Å
509	W	97.6	Very high	96.4	Very high	3 Å²	3	32.4 Å²	32.4	1%	0.011	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	144.3	168.9	-70.4	101.3	0	0	0	110.5	D464 F465 H466 I472 L474 P514 F517 Q531	D464-W509 PolarHBondContact O-NE1 3.44Å; D464-W509 VanDerWaalsContact O-NE1 3.16Å; D464-W509 PolarHBondContact OD2-N 3.26Å; F465-W509 VanDerWaalsContact C-CD1 3.46Å; F465-W509 VanDerWaalsContact O-CD1 3.25Å; H466-W509 HydrophobicContact CB-CZ2 4.35Å; H466-W509 AromaticContact CD2-CH2 3.88Å; H466-W509 AromaticContact CD2-CZ2 3.88Å; I472-W509 HydrophobicContact CG2-CZ2 4.5Å; L474-W509 HydrophobicContact CD1-CD2 3.98Å; L474-W509 VanDerWaalsContact CD1-CE2 3.43Å; L474-W509 HydrophobicContact CD1-CE3 4.46Å; L474-W509 HydrophobicContact CD1-CH2 4Å; L474-W509 HydrophobicContact CD1-CZ2 3.49Å; L474-W509 VanDerWaalsContact CD1-CZ2 3.49Å; L474-W509 HydrophobicContact CD1-CZ3 4.46Å; L474-W509 HydrophobicContact CD2-CH2 4.18Å; L474-W509 HydrophobicContact CD2-CZ2 3.71Å; L474-W509 HydrophobicContact CG-CH2 4.16Å; L474-W509 HydrophobicContact CG-CZ2 3.34Å; W509-P514 VanDerWaalsContact CE3-O 3.25Å; W509-P514 WeakPolarHBondContact CZ3-O 3.24Å; W509-F517 HydrophobicContact CD2-CB 4.27Å; W509-F517 HydrophobicContact CE3-CB 3.97Å; W509-F517 HydrophobicContact CH2-CD1 4.33Å; W509-F517 HydrophobicContact CZ3-CB 4.35Å; W509-F517 HydrophobicContact CZ3-CD1 4.04Å; W509-Q531 HydrophobicContact CH2-CB 4.2Å; W509-Q531 HydrophobicContact CZ3-CB 4.36Å
510	N	96.7	Very high	96.5	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	16%	0.157	C	C	.	.			trans	-62.6	144.8	171.9	-171.5	-85.8	0	0	0	110.2	F512 H513 I516 W551 S556	N510-F512 PolarHBondContact O-N 2.65Å; N510-F512 PolarHBondContact OD1-N 3.01Å; N510-H513 HydrophobicContact CB-CB 4.35Å; N510-H513 PolarHBondContact OD1-N 3.35Å; N510-I516 HydrophobicContact CB-CB 4.17Å; N510-I516 HydrophobicContact CB-CG2 4.41Å; N510-I516 WeakPolarHBondContact CB-O 3.24Å; N510-I516 PolarHBondContact N-O 3.38Å; N510-W551 HydrophobicContact CB-CZ2 4.39Å; N510-W551 WeakPolarHBondContact ND2-CZ3 3.38Å; N510-S556 PolarHBondContact ND2-O 3.09Å
511	L	93.7	Very high	96.6	Very high	46 Å²	46	31.9 Å²	31.9	24%	0.241	16%	0.155	C	C	.	.	S	Bend	trans	-72.7	-21.9	-173.7	-46.1	-179.5	0	0	0	113	W551 A552 P553	L511-W551 HydrophobicContact CD1-CB 4.08Å; L511-W551 HydrophobicContact CD2-CB 4.25Å; L511-W551 HydrophobicContact CG-CB 3.81Å; L511-A552 WeakPolarHBondContact CD1-O 3.29Å; L511-P553 VanDerWaalsContact CD1-CA 3.43Å; L511-P553 HydrophobicContact CD1-CB 4.27Å
512	F	93.5	Very high	96.6	Very high	52 Å²	52	24.5 Å²	24.5	23%	0.228	12%	0.122	C	C	.	.	S	Bend	trans	-115.9	-51.3	-174.7	-57.2	-88.8	0	0	0	111.7	N510 P553 S555 P640 E643	N510-F512 PolarHBondContact O-N 2.65Å; N510-F512 PolarHBondContact OD1-N 3.01Å; F512-P553 VanDerWaalsContact CZ-O 3.31Å; F512-P553 WeakPolarHBondContact CZ-O 3.32Å; F512-S555 VanDerWaalsContact CE2-C 3.45Å; F512-P640 HydrophobicContact CD1-CB 4.36Å; F512-E643 HydrophobicContact CB-CB 4.08Å; F512-E643 HydrophobicContact CD1-CB 3.92Å; F512-E643 HydrophobicContact CD1-CG 4.2Å; F512-E643 HydrophobicContact CD2-CB 4.45Å; F512-E643 HydrophobicContact CE1-CB 4.47Å; F512-E643 HydrophobicContact CE1-CG 4.26Å; F512-E643 HydrophobicContact CG-CB 3.9Å; F512-E643 HydrophobicContact CG-CG 4.45Å
513	H	94	Very high	96.7	Very high	10 Å²	10	20.7 Å²	20.7	5%	0.046	10%	0.104	C	C	.	.			trans	-86.1	119.2	-176.4	-163.9	-57.8	0	0	0	111.1	N510 D515 I516 L647 E648	N510-H513 HydrophobicContact CB-CB 4.35Å; N510-H513 PolarHBondContact OD1-N 3.35Å; H513-D515 IonicContact CE1-OD2 3.9Å; H513-D515 PolarHBondContact ND1-N 3.37Å; H513-D515 VanDerWaalsContact ND1-N 3.17Å; H513-D515 PolarHBondContact O-N 3.43Å; H513-I516 HydrophobicContact CB-CB 4.35Å; H513-I516 HydrophobicContact CB-CG1 4.18Å; H513-L647 HydrophobicContact CB-CD2 3.69Å; H513-E648 IonicContact NE2-OE1 2.79Å
514	P	93.7	Very high	96.7	Very high	41 Å²	41	25.7 Å²	25.7	27%	0.266	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-32.3	-173.2	26.4	-34.3	0	0	0	113.6	H466 W509	H466-P514 PolarHBondContact NE2-O 3.27Å; H466-P514 VanDerWaalsContact NE2-O 3.09Å; W509-P514 VanDerWaalsContact CE3-O 3.25Å; W509-P514 WeakPolarHBondContact CZ3-O 3.24Å
515	D	94.4	Very high	96.7	Very high	60 Å²	60	26.6 Å²	26.6	32%	0.321	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-4.6	-173.6	-53.4	-48.9	0	0	0	115.3	H513 Q531	H513-D515 IonicContact CE1-OD2 3.9Å; H513-D515 PolarHBondContact ND1-N 3.37Å; H513-D515 VanDerWaalsContact ND1-N 3.17Å; H513-D515 PolarHBondContact O-N 3.43Å; D515-Q531 HydrophobicContact CB-CG 3.89Å; D515-Q531 WeakPolarHBondContact O-CG 3.27Å; D515-Q531 PolarHBondContact O-N 2.78Å; D515-Q531 PolarHBondContact OD1-NE2 3.47Å
516	I	96.5	Very high	96.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	136.4	-171.8	-57.5	-60.5	0	0	0	111	N510 H513 I528 W529 D530 W551 L647 L651	N510-I516 HydrophobicContact CB-CB 4.17Å; N510-I516 HydrophobicContact CB-CG2 4.41Å; N510-I516 WeakPolarHBondContact CB-O 3.24Å; N510-I516 PolarHBondContact N-O 3.38Å; H513-I516 HydrophobicContact CB-CB 4.35Å; H513-I516 HydrophobicContact CB-CG1 4.18Å; I516-I528 HydrophobicContact CG2-CG2 3.7Å; I516-W529 WeakPolarHBondContact CA-O 3.43Å; I516-D530 HydrophobicContact CD1-CB 3.86Å; I516-W551 HydrophobicContact CG2-CZ2 4.33Å; I516-L647 HydrophobicContact CB-CD2 4.16Å; I516-L647 HydrophobicContact CG1-CD2 3.93Å; I516-L647 HydrophobicContact CG2-CD2 4.16Å; I516-L651 HydrophobicContact CD1-CD1 3.46Å; I516-L651 VanDerWaalsContact CD1-CD1 3.46Å; I516-L651 HydrophobicContact CD1-CD2 4.15Å; I516-L651 HydrophobicContact CD1-CG 4.47Å; I516-L651 HydrophobicContact CG1-CD1 3.76Å
517	F	97.6	Very high	96.7	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	161.1	172.9	65.7	-87.1	0	0	0	111.5	L474 V482 Y497 V507 A508 W509 T519 W529 Q531	L474-F517 HydrophobicContact CD1-CB 3.6Å; L474-F517 HydrophobicContact CD1-CD1 3.75Å; L474-F517 HydrophobicContact CD1-CD2 3.63Å; L474-F517 HydrophobicContact CD1-CE1 4.28Å; L474-F517 HydrophobicContact CD1-CE2 4.17Å; L474-F517 HydrophobicContact CD1-CG 3.38Å; L474-F517 HydrophobicContact CD1-CZ 4.46Å; V482-F517 HydrophobicContact CG1-CE2 4.32Å; Y497-F517 HydrophobicContact CD1-CZ 4.29Å; Y497-F517 AromaticContact CD2-CZ 3.92Å; Y497-F517 HydrophobicContact CD2-CZ 3.92Å; Y497-F517 HydrophobicContact CE1-CE1 4.43Å; Y497-F517 HydrophobicContact CE1-CZ 4.27Å; Y497-F517 HydrophobicContact CE2-CE1 4.19Å; Y497-F517 AromaticContact CE2-CZ 3.9Å; Y497-F517 HydrophobicContact CE2-CZ 3.9Å; Y497-F517 HydrophobicContact CG-CZ 4.13Å; V507-F517 HydrophobicContact CG2-CD2 4.07Å; A508-F517 CarbonylContact O-C 3.54Å; A508-F517 VanDerWaalsContact O-CA 3.28Å; A508-F517 WeakPolarHBondContact O-CA 3.46Å; A508-F517 WeakPolarHBondContact O-CB 3.42Å; W509-F517 HydrophobicContact CD2-CB 4.27Å; W509-F517 HydrophobicContact CE3-CB 3.97Å; W509-F517 HydrophobicContact CH2-CD1 4.33Å; W509-F517 HydrophobicContact CZ3-CB 4.35Å; W509-F517 HydrophobicContact CZ3-CD1 4.04Å; F517-T519 HydrophobicContact CD2-CG2 3.94Å; F517-T519 HydrophobicContact CE2-CG2 3.91Å; F517-W529 HydrophobicContact CD1-CB 3.83Å; F517-W529 HydrophobicContact CD2-CB 3.87Å; F517-W529 AromaticContact CD2-CD1 3.85Å; F517-W529 HydrophobicContact CD2-CG 4.08Å; F517-W529 HydrophobicContact CE1-CB 3.38Å; F517-W529 HydrophobicContact CE1-CG 4.24Å; F517-W529 HydrophobicContact CE2-CB 3.43Å; F517-W529 VanDerWaalsContact CE2-CB 3.43Å; F517-W529 AromaticContact CE2-CD1 3.43Å; F517-W529 VanDerWaalsContact CE2-CD1 3.43Å; F517-W529 HydrophobicContact CE2-CD2 4.25Å; F517-W529 AromaticContact CE2-CG 3.42Å; F517-W529 HydrophobicContact CE2-CG 3.42Å; F517-W529 VanDerWaalsContact CE2-CG 3.42Å; F517-W529 HydrophobicContact CG-CB 4.07Å; F517-W529 HydrophobicContact CZ-CB 3.17Å; F517-W529 HydrophobicContact CZ-CD2 4.2Å; F517-W529 AromaticContact CZ-CG 3.53Å; F517-W529 HydrophobicContact CZ-CG 3.53Å; F517-W529 PolarHBondContact N-O 2.87Å; F517-W529 VanDerWaalsContact N-O 3.12Å; F517-W529 PolarHBondContact O-N 3.07Å; F517-Q531 HydrophobicContact CE1-CB 4.3Å
518	I	98.2	Very high	96.7	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	146.7	178.1	-163	162.2	0	0	0	109.8	V507 A508 V526 K527 I528 V549 W551 F559	V507-I518 WeakPolarHBondContact CA-O 3.33Å; A508-I518 HydrophobicContact CB-CG2 3.99Å; A508-I518 PolarHBondContact N-O 2.83Å; A508-I518 PolarHBondContact O-N 2.87Å; I518-V526 HydrophobicContact CD1-CG1 3.64Å; I518-V526 HydrophobicContact CG1-CG1 3.64Å; I518-K527 CarbonylContact C-O 3.52Å; I518-K527 WeakPolarHBondContact CA-O 3.29Å; I518-K527 WeakPolarHBondContact CG1-O 3.47Å; I518-I528 HydrophobicContact CD1-CD1 4.46Å; I518-I528 HydrophobicContact CD1-CG1 4.01Å; I518-I528 HydrophobicContact CG1-CG1 4.03Å; I518-V549 HydrophobicContact CD1-CG2 3.63Å; I518-V549 HydrophobicContact CG1-CG1 4.37Å; I518-V549 HydrophobicContact CG1-CG2 4.16Å; I518-V549 HydrophobicContact CG2-CG1 3.92Å; I518-V549 HydrophobicContact CG2-CG2 4.41Å; I518-W551 HydrophobicContact CB-CZ2 3.72Å; I518-W551 HydrophobicContact CD1-CH2 4.39Å; I518-W551 HydrophobicContact CD1-CZ2 4.08Å; I518-W551 HydrophobicContact CG1-CZ2 4.43Å; I518-W551 HydrophobicContact CG2-CZ2 4.22Å; I518-F559 HydrophobicContact CD1-CB 4.16Å; I518-F559 HydrophobicContact CD1-CD1 4.12Å; I518-F559 HydrophobicContact CD1-CD2 3.77Å; I518-F559 HydrophobicContact CD1-CE1 4.47Å; I518-F559 HydrophobicContact CD1-CE2 4.15Å; I518-F559 HydrophobicContact CD1-CG 3.75Å; I518-F559 HydrophobicContact CD1-CZ 4.48Å
519	T	98.4	Very high	96.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.4	175.8	59.1	0	0	0	0	110.3	V482 H500 R506 V507 F517 V526 K527 W529	V482-T519 HydrophobicContact CG2-CG2 4.06Å; H500-T519 WeakPolarHBondContact NE2-CB 3.44Å; H500-T519 PolarHBondContact NE2-OG1 3.22Å; R506-T519 VanDerWaalsContact O-CA 3.29Å; R506-T519 WeakPolarHBondContact O-CA 3.44Å; V507-T519 HydrophobicContact CB-CG2 4.38Å; V507-T519 HydrophobicContact CG2-CG2 4.09Å; F517-T519 HydrophobicContact CD2-CG2 3.94Å; F517-T519 HydrophobicContact CE2-CG2 3.91Å; T519-V526 CarbonylContact O-C 3.55Å; T519-V526 VanDerWaalsContact O-CA 3.31Å; T519-V526 WeakPolarHBondContact O-CA 3.44Å; T519-V526 WeakPolarHBondContact O-CG1 3.47Å; T519-K527 PolarHBondContact N-O 3.36Å; T519-K527 PolarHBondContact O-N 3.13Å; T519-K527 PolarHBondContact OG1-O 2.97Å; T519-W529 PolarHBondContact OG1-NE1 3.19Å
520	C	98.1	Very high	96.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	154	168.4	74.9	0	0	0	0	111.1	V504 Y505 R506 V526 V546 V549	V504-C520 CarbonylContact C-O 3.58Å; V504-C520 WeakPolarHBondContact CA-O 3.44Å; V504-C520 WeakPolarHBondContact CG1-O 3.34Å; Y505-C520 PolarHBondContact N-O 2.93Å; R506-C520 WeakPolarHBondContact CB-SG 3.36Å; R506-C520 PolarHBondContact O-N 3.19Å; R506-C520 VanDerWaalsContact O-N 3.11Å; C520-V526 HydrophobicContact CB-CG2 4.08Å; C520-V546 HydrophobicContact CB-CB 3.94Å; C520-V546 HydrophobicContact CB-CG1 3.65Å; C520-V549 HydrophobicContact CB-CB 4.1Å; C520-V549 HydrophobicContact CB-CG1 3.81Å
521	S	98.2	Very high	96.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	163.4	-172.3	174.9	0	0	0	0	113.2	H500 M502 A503 D523 W524 T525 V546	H500-S521 VanDerWaalsContact ND1-CB 3.27Å; H500-S521 WeakPolarHBondContact ND1-CB 3.36Å; M502-S521 PolarHBondContact O-OG 2.8Å; A503-S521 VanDerWaalsContact O-CA 3.26Å; A503-S521 WeakPolarHBondContact O-CA 3.41Å; A503-S521 WeakPolarHBondContact O-CB 3.34Å; A503-S521 PolarHBondContact O-OG 2.9Å; S521-D523 WeakPolarHBondContact CB-OD1 3.28Å; S521-D523 PolarHBondContact O-N 3.26Å; S521-D523 PolarHBondContact OG-N 2.87Å; S521-D523 VanDerWaalsContact OG-N 3.11Å; S521-W524 PolarHBondContact O-N 2.62Å; S521-T525 PolarHBondContact N-O 3.01Å; S521-V546 PolarHBondContact O-N 3.47Å
522	A	97.2	Very high	96.4	Very high	9 Å²	9	23.8 Å²	23.8	7%	0.074	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.3	164.6	0	0	0	0	0	113.6	M502 A503 Y505 W524	M502-A522 HydrophobicContact CB-CB 3.92Å; M502-A522 HydrophobicContact SD-CB 4.32Å; A503-A522 PolarHBondContact O-N 3.34Å; Y505-A522 HydrophobicContact CE2-CB 3.71Å; Y505-A522 WeakPolarHBondContact OH-CB 3.48Å; A522-W524 PolarHBondContact O-N 3.3Å
523	D	97.2	Very high	96.3	Very high	23 Å²	23	25 Å²	25	12%	0.123	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	9.2	177.9	79.2	0.7	0	0	0	114.8	H500 H501 M502 S521 T525	H500-D523 WeakPolarHBondContact CA-OD2 3.34Å; H500-D523 VanDerWaalsContact CB-OD2 3.29Å; H500-D523 WeakPolarHBondContact CB-OD2 3.35Å; H500-D523 IonicContact CE1-OD1 3.69Å; H500-D523 IonicContact CG-OD2 2.65Å; H500-D523 IonicContact ND1-OD1 3.98Å; H500-D523 PolarHBondContact ND1-OD1 3.17Å; H500-D523 IonicContact ND1-OD2 3.87Å; H500-D523 PolarHBondContact ND1-OD2 3.47Å; H501-D523 PolarHBondContact N-OD2 2.97Å; H501-D523 VanDerWaalsContact N-OD2 3.15Å; H501-D523 IonicContact ND1-OD2 2.92Å; M502-D523 HydrophobicContact CB-CB 4.12Å; M502-D523 HydrophobicContact CG-CB 4.03Å; M502-D523 HydrophobicContact SD-CB 4.43Å; S521-D523 WeakPolarHBondContact CB-OD1 3.28Å; S521-D523 PolarHBondContact O-N 3.26Å; S521-D523 PolarHBondContact OG-N 2.87Å; S521-D523 VanDerWaalsContact OG-N 3.11Å; D523-T525 PolarHBondContact O-N 3.08Å; D523-T525 WeakPolarHBondContact OD1-CB 3.38Å; D523-T525 PolarHBondContact OD1-N 3.45Å; D523-T525 PolarHBondContact OD1-OG1 3.15Å; D523-T525 PolarHBondContact OD2-OG1 3.01Å
524	W	97.5	Very high	96.2	Very high	121 Å²	121	29 Å²	29	46%	0.458	17%	0.165	S	C	.	.	S	Bend	trans	76.3	-1.2	177.2	-44.7	-15.1	0	0	0	114.8	S521 A522 L542 S544 P545	S521-W524 PolarHBondContact O-N 2.62Å; A522-W524 PolarHBondContact O-N 3.3Å; W524-L542 PolarHBondContact O-N 2.94Å; W524-S544 WeakPolarHBondContact CA-O 3.38Å; W524-P545 VanDerWaalsContact CD1-CD 3.44Å
525	T	97.9	Very high	96.2	Very high	18 Å²	18	31.3 Å²	31.3	11%	0.11	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	146.5	-175.9	71.5	0	0	0	0	113.3	H500 S521 D523 K527 T539 F540 D541	H500-T525 PolarHBondContact CE1-O 3.03Å; H500-T525 PolarHBondContact CE1-OG1 3.22Å; H500-T525 PolarHBondContact ND1-OG1 3.11Å; S521-T525 PolarHBondContact N-O 3.01Å; D523-T525 PolarHBondContact O-N 3.08Å; D523-T525 WeakPolarHBondContact OD1-CB 3.38Å; D523-T525 PolarHBondContact OD1-N 3.45Å; D523-T525 PolarHBondContact OD1-OG1 3.15Å; D523-T525 PolarHBondContact OD2-OG1 3.01Å; T525-K527 WeakPolarHBondContact OG1-CE 3.21Å; T525-T539 HydrophobicContact CG2-CG2 4.29Å; T525-F540 CarbonylContact C-O 3.52Å; T525-F540 WeakPolarHBondContact CA-O 3.21Å; T525-D541 HydrophobicContact CG2-CB 4.48Å
526	V	98	Very high	96.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.3	162.9	179.8	0	0	0	0	107.6	I518 T519 C520 F540 L542 V546 V549 F559 A561	I518-V526 HydrophobicContact CD1-CG1 3.64Å; I518-V526 HydrophobicContact CG1-CG1 3.64Å; T519-V526 CarbonylContact O-C 3.55Å; T519-V526 VanDerWaalsContact O-CA 3.31Å; T519-V526 WeakPolarHBondContact O-CA 3.44Å; T519-V526 WeakPolarHBondContact O-CG1 3.47Å; C520-V526 HydrophobicContact CB-CG2 4.08Å; V526-F540 HydrophobicContact CB-CB 4.33Å; V526-F540 HydrophobicContact CB-CD2 4.45Å; V526-F540 PolarHBondContact N-O 2.89Å; V526-F540 WeakPolarHBondContact O-CD2 3.46Å; V526-F540 PolarHBondContact O-N 3.31Å; V526-L542 HydrophobicContact CG2-CD1 3.94Å; V526-L542 HydrophobicContact CG2-CG 4.46Å; V526-V546 HydrophobicContact CG2-CB 4.47Å; V526-V546 HydrophobicContact CG2-CG1 3.89Å; V526-V546 HydrophobicContact CG2-CG2 4.12Å; V526-V549 HydrophobicContact CG1-CG2 4.15Å; V526-F559 HydrophobicContact CG1-CE2 4.07Å; V526-A561 HydrophobicContact CG2-CB 4.18Å
527	K	97.5	Very high	96.1	Very high	20 Å²	20	31.4 Å²	31.4	9%	0.087	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	139.2	-179	-67	177.8	-176.5	177.9	0	111.1	A499 I518 T519 T525 W529 P536 F538 T539	A499-K527 WeakPolarHBondContact O-CD 3.31Å; A499-K527 WeakPolarHBondContact O-CE 3.32Å; A499-K527 PolarHBondContact O-NZ 3.11Å; I518-K527 CarbonylContact C-O 3.52Å; I518-K527 WeakPolarHBondContact CA-O 3.29Å; I518-K527 WeakPolarHBondContact CG1-O 3.47Å; T519-K527 PolarHBondContact N-O 3.36Å; T519-K527 PolarHBondContact O-N 3.13Å; T519-K527 PolarHBondContact OG1-O 2.97Å; T525-K527 WeakPolarHBondContact OG1-CE 3.21Å; K527-W529 HydrophobicContact CB-CZ2 4.03Å; K527-W529 VanDerWaalsContact CB-NE1 3.3Å; K527-W529 HydrophobicContact CD-CZ2 3.67Å; K527-W529 HydrophobicContact CG-CZ2 4.5Å; K527-P536 HydrophobicContact CB-CB 4.15Å; K527-P536 HydrophobicContact CD-CB 4.25Å; K527-P536 HydrophobicContact CD-CG 4.27Å; K527-P536 HydrophobicContact CG-CB 4.38Å; K527-F538 VanDerWaalsContact CA-O 3.3Å; K527-F538 WeakPolarHBondContact CA-O 3.38Å; K527-T539 HydrophobicContact CD-CG2 4.49Å; K527-T539 HydrophobicContact CG-CG2 4Å
528	I	97.2	Very high	95.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.9	175.2	-60.6	175.8	0	0	0	107.9	I516 I518 P536 M537 F538 F540 W551 F559 L573	I516-I528 HydrophobicContact CG2-CG2 3.7Å; I518-I528 HydrophobicContact CD1-CD1 4.46Å; I518-I528 HydrophobicContact CD1-CG1 4.01Å; I518-I528 HydrophobicContact CG1-CG1 4.03Å; I528-P536 CarbonylContact O-C 3.59Å; I528-M537 WeakPolarHBondContact O-CB 3.34Å; I528-M537 PolarHBondContact O-N 2.82Å; I528-F538 HydrophobicContact CB-CB 4.24Å; I528-F538 HydrophobicContact CB-CD2 4.34Å; I528-F538 HydrophobicContact CD1-CB 4.41Å; I528-F538 HydrophobicContact CD1-CD2 4.37Å; I528-F538 PolarHBondContact N-O 3.28Å; I528-F538 PolarHBondContact O-N 3.06Å; I528-F540 HydrophobicContact CD1-CE2 3.79Å; I528-F540 HydrophobicContact CD1-CZ 4.44Å; I528-F540 HydrophobicContact CG1-CE2 4.19Å; I528-W551 HydrophobicContact CD1-CH2 4.02Å; I528-W551 HydrophobicContact CG1-CH2 4.43Å; I528-F559 HydrophobicContact CD1-CD1 4.43Å; I528-F559 HydrophobicContact CD1-CE1 3.98Å; I528-L573 HydrophobicContact CD1-CD1 3.53Å; I528-L573 HydrophobicContact CD1-CD2 4.19Å; I528-L573 HydrophobicContact CD1-CG 4.42Å
529	W	96.8	Very high	95.8	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.008	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146.3	-170.9	-59.8	86.3	0	0	0	111	Y497 A499 I516 F517 T519 K527 P536	Y497-W529 HydrophobicContact CD1-CE3 4.2Å; A499-W529 VanDerWaalsContact CA-CZ2 3.41Å; A499-W529 HydrophobicContact CB-CH2 4.29Å; A499-W529 HydrophobicContact CB-CZ2 3.71Å; I516-W529 WeakPolarHBondContact CA-O 3.43Å; F517-W529 HydrophobicContact CD1-CB 3.83Å; F517-W529 HydrophobicContact CD2-CB 3.87Å; F517-W529 AromaticContact CD2-CD1 3.85Å; F517-W529 HydrophobicContact CD2-CG 4.08Å; F517-W529 HydrophobicContact CE1-CB 3.38Å; F517-W529 HydrophobicContact CE1-CG 4.24Å; F517-W529 HydrophobicContact CE2-CB 3.43Å; F517-W529 VanDerWaalsContact CE2-CB 3.43Å; F517-W529 AromaticContact CE2-CD1 3.43Å; F517-W529 VanDerWaalsContact CE2-CD1 3.43Å; F517-W529 HydrophobicContact CE2-CD2 4.25Å; F517-W529 AromaticContact CE2-CG 3.42Å; F517-W529 HydrophobicContact CE2-CG 3.42Å; F517-W529 VanDerWaalsContact CE2-CG 3.42Å; F517-W529 HydrophobicContact CG-CB 4.07Å; F517-W529 HydrophobicContact CZ-CB 3.17Å; F517-W529 HydrophobicContact CZ-CD2 4.2Å; F517-W529 AromaticContact CZ-CG 3.53Å; F517-W529 HydrophobicContact CZ-CG 3.53Å; F517-W529 PolarHBondContact N-O 2.87Å; F517-W529 VanDerWaalsContact N-O 3.12Å; F517-W529 PolarHBondContact O-N 3.07Å; T519-W529 PolarHBondContact OG1-NE1 3.19Å; K527-W529 HydrophobicContact CB-CZ2 4.03Å; K527-W529 VanDerWaalsContact CB-NE1 3.3Å; K527-W529 HydrophobicContact CD-CZ2 3.67Å; K527-W529 HydrophobicContact CG-CZ2 4.5Å; W529-P536 HydrophobicContact CD2-CB 4.01Å; W529-P536 HydrophobicContact CE3-CB 4.04Å; W529-P536 HydrophobicContact CH2-CB 3.85Å; W529-P536 HydrophobicContact CH2-CG 3.94Å; W529-P536 HydrophobicContact CZ2-CB 3.79Å; W529-P536 HydrophobicContact CZ2-CG 4.2Å; W529-P536 HydrophobicContact CZ3-CB 3.99Å; W529-P536 VanDerWaalsContact CZ3-CD 3.49Å; W529-P536 HydrophobicContact CZ3-CG 4.26Å; W529-P536 VanDerWaalsContact CZ3-N 3.29Å
530	D	95.1	Very high	95.7	Very high	30 Å²	30	36.3 Å²	36.3	16%	0.16	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125.6	162.8	175.6	-8.5	0	0	0	107.4	I516 A532 K533 M537	I516-D530 HydrophobicContact CD1-CB 3.86Å; D530-A532 PolarHBondContact O-N 2.87Å; D530-A532 WeakPolarHBondContact OD1-CB 3.42Å; D530-A532 PolarHBondContact OD1-N 3.28Å; D530-K533 HydrophobicContact CB-CB 4.35Å; D530-K533 HydrophobicContact CB-CD 4.19Å; D530-K533 HydrophobicContact CB-CG 4.31Å; D530-K533 PolarHBondContact O-N 2.86Å; D530-K533 VanDerWaalsContact O-O 3.11Å; D530-M537 HydrophobicContact CB-CG 3.95Å; D530-M537 HydrophobicContact CB-SD 4.36Å
531	Q	94.2	Very high	95.7	Very high	27 Å²	27	41.4 Å²	41.4	13%	0.126	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-14.3	-177.7	70.2	170.8	-18.7	0	0	114.3	Y497 W509 D515 F517	Y497-Q531 VanDerWaalsContact OH-CA 3.24Å; Y497-Q531 WeakPolarHBondContact OH-CA 3.26Å; Y497-Q531 PolarHBondContact OH-O 3.08Å; W509-Q531 HydrophobicContact CH2-CB 4.2Å; W509-Q531 HydrophobicContact CZ3-CB 4.36Å; D515-Q531 HydrophobicContact CB-CG 3.89Å; D515-Q531 WeakPolarHBondContact O-CG 3.27Å; D515-Q531 PolarHBondContact O-N 2.78Å; D515-Q531 PolarHBondContact OD1-NE2 3.47Å; F517-Q531 HydrophobicContact CE1-CB 4.3Å
532	A	92.7	Very high	95.6	Very high	87 Å²	87	42.3 Å²	42.3	72%	0.719	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-13.5	173.9	0	0	0	0	0	113.1	D530	D530-A532 PolarHBondContact O-N 2.87Å; D530-A532 WeakPolarHBondContact OD1-CB 3.42Å; D530-A532 PolarHBondContact OD1-N 3.28Å
533	K	92.4	Very high	95.5	Very high	76 Å²	76	44.4 Å²	44.4	33%	0.33	26%	0.262	S	S	.	.			trans	-113.6	141.9	-173.8	-66.1	179	180	-178.2	0	111.2	Y497 D530 M537	Y497-K533 WeakPolarHBondContact CE1-O 3.37Å; D530-K533 HydrophobicContact CB-CB 4.35Å; D530-K533 HydrophobicContact CB-CD 4.19Å; D530-K533 HydrophobicContact CB-CG 4.31Å; D530-K533 PolarHBondContact O-N 2.86Å; D530-K533 VanDerWaalsContact O-O 3.11Å; K533-M537 HydrophobicContact CD-SD 3.44Å; K533-M537 WeakPolarHBondContact CD-SD 3.38Å; K533-M537 PolarHBondContact NZ-SD 2.71Å
534	S	90.9	Very high	95.4	Very high	96 Å²	96	43.9 Å²	43.9	67%	0.671	26%	0.261	S	S	*	.	S	Bend	trans	-81.8	-14.4	176.5	56.6	0	0	0	0	113.8
535	T	93.7	Very high	95.4	Very high	88 Å²	88	40.2 Å²	40.2	54%	0.54	25%	0.253	S	S	.	.	S	Bend	trans	-109.8	147.2	-179.5	57.1	0	0	0	0	110.9
536	P	94.7	Very high	95.4	Very high	44 Å²	44	39.4 Å²	39.4	29%	0.286	25%	0.247	S	C	.	.			trans	-66.7	142.7	178.4	28.4	-33	0	0	0	110.7	K527 I528 W529	K527-P536 HydrophobicContact CB-CB 4.15Å; K527-P536 HydrophobicContact CD-CB 4.25Å; K527-P536 HydrophobicContact CD-CG 4.27Å; K527-P536 HydrophobicContact CG-CB 4.38Å; I528-P536 CarbonylContact O-C 3.59Å; W529-P536 HydrophobicContact CD2-CB 4.01Å; W529-P536 HydrophobicContact CE3-CB 4.04Å; W529-P536 HydrophobicContact CH2-CB 3.85Å; W529-P536 HydrophobicContact CH2-CG 3.94Å; W529-P536 HydrophobicContact CZ2-CB 3.79Å; W529-P536 HydrophobicContact CZ2-CG 4.2Å; W529-P536 HydrophobicContact CZ3-CB 3.99Å; W529-P536 VanDerWaalsContact CZ3-CD 3.49Å; W529-P536 HydrophobicContact CZ3-CG 4.26Å; W529-P536 VanDerWaalsContact CZ3-N 3.29Å
537	M	93.8	Very high	95.3	Very high	19 Å²	19	40.3 Å²	40.3	9%	0.094	26%	0.257	C	S	.	.	S	Bend	trans	-75.2	-37.1	175.6	-67.2	-64.1	-67.2	0	0	111.8	I528 D530 K533 L651 A654	I528-M537 WeakPolarHBondContact O-CB 3.34Å; I528-M537 PolarHBondContact O-N 2.82Å; D530-M537 HydrophobicContact CB-CG 3.95Å; D530-M537 HydrophobicContact CB-SD 4.36Å; K533-M537 HydrophobicContact CD-SD 3.44Å; K533-M537 WeakPolarHBondContact CD-SD 3.38Å; K533-M537 PolarHBondContact NZ-SD 2.71Å; M537-L651 HydrophobicContact CB-CD2 4.09Å; M537-L651 HydrophobicContact CE-CB 3.94Å; M537-L651 HydrophobicContact CE-CD2 3.81Å; M537-L651 HydrophobicContact CE-CG 4.49Å; M537-L651 WeakPolarHBondContact CE-O 3.42Å; M537-L651 HydrophobicContact CG-CD2 4.05Å; M537-A654 HydrophobicContact CE-CB 4.28Å
538	F	94.8	Very high	95.3	Very high	15 Å²	15	39.5 Å²	39.5	7%	0.066	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	145.2	175.2	-64.3	-83.4	0	0	0	109.8	K527 I528 F540 K577 I650 L651 A654	K527-F538 VanDerWaalsContact CA-O 3.3Å; K527-F538 WeakPolarHBondContact CA-O 3.38Å; I528-F538 HydrophobicContact CB-CB 4.24Å; I528-F538 HydrophobicContact CB-CD2 4.34Å; I528-F538 HydrophobicContact CD1-CB 4.41Å; I528-F538 HydrophobicContact CD1-CD2 4.37Å; I528-F538 PolarHBondContact N-O 3.28Å; I528-F538 PolarHBondContact O-N 3.06Å; F538-F540 HydrophobicContact CB-CD2 4.41Å; F538-F540 HydrophobicContact CB-CE2 3.51Å; F538-F540 HydrophobicContact CB-CZ 3.71Å; F538-F540 HydrophobicContact CD1-CZ 4.33Å; F538-F540 HydrophobicContact CG-CE2 4.37Å; F538-F540 HydrophobicContact CG-CZ 4.16Å; F538-K577 HydrophobicContact CE1-CB 4.39Å; F538-I650 HydrophobicContact CE2-CG2 4.1Å; F538-I650 HydrophobicContact CZ-CG2 3.76Å; F538-L651 HydrophobicContact CE2-CD2 4.18Å; F538-A654 HydrophobicContact CE1-CB 3.75Å; F538-A654 HydrophobicContact CE2-CB 3.91Å; F538-A654 HydrophobicContact CZ-CB 3.36Å
539	T	95.7	Very high	95.4	Very high	79 Å²	79	39.5 Å²	39.5	49%	0.485	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	123.8	172.5	-60.2	0	0	0	0	108.2	T525 K527	T525-T539 HydrophobicContact CG2-CG2 4.29Å; K527-T539 HydrophobicContact CD-CG2 4.49Å; K527-T539 HydrophobicContact CG-CG2 4Å
540	F	96.7	Very high	95.4	Very high	8 Å²	8	40 Å²	40	4%	0.035	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119.8	178.5	-55.8	-84.5	0	0	0	108.5	T525 V526 I528 F538 L542 F559 Y571 L573 K577	T525-F540 CarbonylContact C-O 3.52Å; T525-F540 WeakPolarHBondContact CA-O 3.21Å; V526-F540 HydrophobicContact CB-CB 4.33Å; V526-F540 HydrophobicContact CB-CD2 4.45Å; V526-F540 PolarHBondContact N-O 2.89Å; V526-F540 WeakPolarHBondContact O-CD2 3.46Å; V526-F540 PolarHBondContact O-N 3.31Å; I528-F540 HydrophobicContact CD1-CE2 3.79Å; I528-F540 HydrophobicContact CD1-CZ 4.44Å; I528-F540 HydrophobicContact CG1-CE2 4.19Å; F538-F540 HydrophobicContact CB-CD2 4.41Å; F538-F540 HydrophobicContact CB-CE2 3.51Å; F538-F540 HydrophobicContact CB-CZ 3.71Å; F538-F540 HydrophobicContact CD1-CZ 4.33Å; F538-F540 HydrophobicContact CG-CE2 4.37Å; F538-F540 HydrophobicContact CG-CZ 4.16Å; F540-L542 HydrophobicContact CB-CD2 4.48Å; F540-F559 AromaticContact CD2-CZ 3.94Å; F540-F559 HydrophobicContact CD2-CZ 3.94Å; F540-F559 HydrophobicContact CE2-CE1 4.17Å; F540-F559 AromaticContact CE2-CZ 3.85Å; F540-F559 HydrophobicContact CE2-CZ 3.85Å; F540-F559 HydrophobicContact CG-CZ 4.42Å; F540-F559 HydrophobicContact CZ-CE1 4.4Å; F540-F559 HydrophobicContact CZ-CZ 4.26Å; F540-Y571 HydrophobicContact CD1-CD1 4.05Å; F540-Y571 AromaticContact CD1-CE1 3.58Å; F540-Y571 HydrophobicContact CD1-CE1 3.58Å; F540-Y571 AromaticContact CE1-CD1 4Å; F540-Y571 HydrophobicContact CE1-CD1 4Å; F540-Y571 AromaticContact CE1-CE1 3.96Å; F540-Y571 HydrophobicContact CE1-CE1 3.96Å; F540-Y571 HydrophobicContact CG-CE1 4.35Å; F540-L573 HydrophobicContact CE1-CD2 4.28Å; F540-L573 HydrophobicContact CE2-CD2 4.27Å; F540-L573 HydrophobicContact CZ-CD2 3.49Å; F540-L573 VanDerWaalsContact CZ-CD2 3.49Å; F540-K577 WeakPolarHBondContact CE1-O 3.46Å
541	D	96.7	Very high	95.6	Very high	108 Å²	108	39.1 Å²	39.1	58%	0.578	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.2	171.8	-175.8	-4	0	0	0	109.1	T525 G543	T525-D541 HydrophobicContact CG2-CB 4.48Å; D541-G543 PolarHBondContact OD1-N 2.76Å
542	L	96	Very high	95.6	Very high	19 Å²	19	37.8 Å²	37.8	10%	0.099	25%	0.246	C	C	.	.			trans	-96.2	-5.1	-179.1	-54.4	-171.5	0	0	0	112.8	W524 V526 F540 S544 V546 A561 T563 Y571	W524-L542 PolarHBondContact O-N 2.94Å; V526-L542 HydrophobicContact CG2-CD1 3.94Å; V526-L542 HydrophobicContact CG2-CG 4.46Å; F540-L542 HydrophobicContact CB-CD2 4.48Å; L542-S544 PolarHBondContact O-N 2.68Å; L542-V546 HydrophobicContact CB-CG2 4.37Å; L542-V546 HydrophobicContact CD1-CG1 4.22Å; L542-V546 HydrophobicContact CD1-CG2 3.79Å; L542-V546 HydrophobicContact CG-CG2 4.24Å; L542-A561 HydrophobicContact CD1-CB 3.81Å; L542-T563 HydrophobicContact CB-CG2 3.8Å; L542-T563 HydrophobicContact CD1-CG2 3.73Å; L542-T563 HydrophobicContact CG-CG2 4.42Å; L542-Y571 HydrophobicContact CD2-CE2 3.94Å; L542-Y571 WeakPolarHBondContact CD2-OH 3.36Å
543	G	95.3	Very high	95.7	Very high	52 Å²	52	35.7 Å²	35.7	54%	0.536	23%	0.225	S	C	.	.	S	Bend	trans	71.9	9.1	178.6	0	0	0	0	0	115.4	D541	D541-G543 PolarHBondContact OD1-N 2.76Å
544	S	96.4	Very high	95.6	Very high	13 Å²	13	34.6 Å²	34.6	9%	0.091	22%	0.219	C	C	.	.	S	Bend	trans	-156.2	151.2	178.5	-176.3	0	0	0	0	109.9	W524 L542 V546 D565	W524-S544 WeakPolarHBondContact CA-O 3.38Å; L542-S544 PolarHBondContact O-N 2.68Å; S544-V546 PolarHBondContact O-N 2.94Å; S544-D565 PolarHBondContact OG-N 3.37Å
545	P	97.1	Very high	95.7	Very high	44 Å²	44	30.3 Å²	30.3	29%	0.286	19%	0.189	S	C	.	.			trans	-53.3	129.4	178.3	-27.1	35	0	0	0	112.1	W524 T563 A564	W524-P545 VanDerWaalsContact CD1-CD 3.44Å; P545-T563 CarbonylContact O-C 3.5Å; P545-T563 WeakPolarHBondContact O-CA 3.24Å; P545-A564 HydrophobicContact CB-CB 4.16Å; P545-A564 HydrophobicContact CG-CB 4.45Å; P545-A564 PolarHBondContact O-N 2.92Å
546	V	97.9	Very high	95.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	109.8	-174.9	-170	0	0	0	0	108.9	Y505 C520 S521 V526 L542 S544 A561 V562 T563	Y505-V546 VanDerWaalsContact CD2-O 3.32Å; Y505-V546 WeakPolarHBondContact CD2-O 3.49Å; C520-V546 HydrophobicContact CB-CB 3.94Å; C520-V546 HydrophobicContact CB-CG1 3.65Å; S521-V546 PolarHBondContact O-N 3.47Å; V526-V546 HydrophobicContact CG2-CB 4.47Å; V526-V546 HydrophobicContact CG2-CG1 3.89Å; V526-V546 HydrophobicContact CG2-CG2 4.12Å; L542-V546 HydrophobicContact CB-CG2 4.37Å; L542-V546 HydrophobicContact CD1-CG1 4.22Å; L542-V546 HydrophobicContact CD1-CG2 3.79Å; L542-V546 HydrophobicContact CG-CG2 4.24Å; S544-V546 PolarHBondContact O-N 2.94Å; V546-A561 HydrophobicContact CG1-CB 3.98Å; V546-V562 CarbonylContact C-O 3.56Å; V546-V562 WeakPolarHBondContact CA-O 3.49Å; V546-V562 WeakPolarHBondContact CG1-O 3.4Å; V546-T563 HydrophobicContact CG2-CG2 4.43Å
547	G	96.3	Very high	95.6	Very high	20 Å²	20	24 Å²	24	21%	0.206	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	-42.5	-175.3	0	0	0	0	0	113.6	V562 T595	G547-V562 PolarHBondContact N-O 2.98Å; G547-T595 CarbonylContact C-O 3.55Å; G547-T595 VanDerWaalsContact C-O 3.31Å
548	D	98	Very high	95.7	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.016	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	159.7	-177.8	-170.8	18.2	0	0	0	110.5	R506 A561 V562 T595 H596 I597	R506-D548 VanDerWaalsContact CD-OD1 3.24Å; R506-D548 WeakPolarHBondContact CD-OD1 3.44Å; R506-D548 VanDerWaalsContact CG-OD1 3.24Å; R506-D548 WeakPolarHBondContact CG-OD1 3.5Å; R506-D548 IonicContact CZ-OD1 3.15Å; R506-D548 IonicContact NE-OD1 3.54Å; R506-D548 PolarHBondContact NE-OD1 2.91Å; R506-D548 IonicContact NH2-OD1 3.47Å; D548-A561 WeakPolarHBondContact O-CA 3.48Å; D548-V562 HydrophobicContact CB-CG2 3.86Å; D548-V562 PolarHBondContact O-N 2.92Å; D548-T595 WeakPolarHBondContact CB-O 3.24Å; D548-H596 IonicContact OD2-ND1 3.86Å; D548-I597 HydrophobicContact CB-CG2 4.07Å; D548-I597 PolarHBondContact OD2-N 2.75Å
549	V	98.2	Very high	95.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	139.5	177.6	66.8	0	0	0	0	110.3	R506 I518 C520 V526 F559 A560 A561	R506-V549 HydrophobicContact CB-CG1 4.06Å; R506-V549 HydrophobicContact CG-CG1 3.99Å; I518-V549 HydrophobicContact CD1-CG2 3.63Å; I518-V549 HydrophobicContact CG1-CG1 4.37Å; I518-V549 HydrophobicContact CG1-CG2 4.16Å; I518-V549 HydrophobicContact CG2-CG1 3.92Å; I518-V549 HydrophobicContact CG2-CG2 4.41Å; C520-V549 HydrophobicContact CB-CB 4.1Å; C520-V549 HydrophobicContact CB-CG1 3.81Å; V526-V549 HydrophobicContact CG1-CG2 4.15Å; V549-F559 HydrophobicContact CG2-CD2 3.92Å; V549-A560 WeakPolarHBondContact CA-O 3.4Å; V549-A560 WeakPolarHBondContact CG2-O 3.18Å; V549-A561 HydrophobicContact CB-CB 4.47Å; V549-A561 HydrophobicContact CG2-CB 4.25Å
550	A	97.9	Very high	95.9	Very high	11 Å²	11	18.7 Å²	18.7	9%	0.091	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	139.1	179.6	0	0	0	0	0	112	F559 A560 I597 F599	A550-F559 CarbonylContact O-C 3.32Å; A550-F559 VanDerWaalsContact O-CA 3.26Å; A550-F559 WeakPolarHBondContact O-CA 3.31Å; A550-F559 WeakPolarHBondContact O-CB 3.5Å; A550-A560 PolarHBondContact N-O 3.12Å; A550-A560 PolarHBondContact O-N 2.9Å; A550-I597 HydrophobicContact CB-CG2 4.08Å; A550-F599 HydrophobicContact CB-CD2 3.75Å; A550-F599 HydrophobicContact CB-CE2 4.01Å; A550-F599 VanDerWaalsContact O-CE2 3.32Å; A550-F599 WeakPolarHBondContact O-CE2 3.45Å
551	W	97.4	Very high	96	Very high	12 Å²	12	18.3 Å²	18.3	5%	0.045	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	144.6	168.7	-70.3	109	0	0	0	110.9	A508 N510 L511 I516 I518 I528 S556 F559 F599	A508-W551 PolarHBondContact O-NE1 3.35Å; N510-W551 HydrophobicContact CB-CZ2 4.39Å; N510-W551 WeakPolarHBondContact ND2-CZ3 3.38Å; L511-W551 HydrophobicContact CD1-CB 4.08Å; L511-W551 HydrophobicContact CD2-CB 4.25Å; L511-W551 HydrophobicContact CG-CB 3.81Å; I516-W551 HydrophobicContact CG2-CZ2 4.33Å; I518-W551 HydrophobicContact CB-CZ2 3.72Å; I518-W551 HydrophobicContact CD1-CH2 4.39Å; I518-W551 HydrophobicContact CD1-CZ2 4.08Å; I518-W551 HydrophobicContact CG1-CZ2 4.43Å; I518-W551 HydrophobicContact CG2-CZ2 4.22Å; I528-W551 HydrophobicContact CD1-CH2 4.02Å; I528-W551 HydrophobicContact CG1-CH2 4.43Å; W551-S556 VanDerWaalsContact CZ3-O 3.23Å; W551-S556 WeakPolarHBondContact CZ3-O 3.39Å; W551-F559 HydrophobicContact CD2-CB 4.37Å; W551-F559 HydrophobicContact CE3-CB 3.86Å; W551-F559 HydrophobicContact CZ3-CB 4.16Å; W551-F559 HydrophobicContact CZ3-CD1 4.13Å; W551-F599 WeakPolarHBondContact O-CD2 3.47Å
552	A	95.8	Very high	96.1	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	9%	0.091	C	C	.	.			trans	-74.3	135	174.6	0	0	0	0	0	111.4	L511 Y554 S555 V558 F599	L511-A552 WeakPolarHBondContact CD1-O 3.29Å; A552-Y554 HydrophobicContact CB-CD1 4.2Å; A552-Y554 HydrophobicContact CB-CD2 4.35Å; A552-Y554 HydrophobicContact CB-CE1 3.8Å; A552-Y554 HydrophobicContact CB-CE2 3.95Å; A552-Y554 HydrophobicContact CB-CG 4.46Å; A552-Y554 PolarHBondContact O-N 2.82Å; A552-Y554 VanDerWaalsContact O-N 3.12Å; A552-S555 PolarHBondContact O-N 3.05Å; A552-S555 VanDerWaalsContact O-O 3.07Å; A552-V558 HydrophobicContact CB-CB 3.73Å; A552-V558 HydrophobicContact CB-CG1 3.75Å; A552-V558 WeakPolarHBondContact CB-O 3.26Å; A552-V558 PolarHBondContact N-O 2.91Å; A552-F599 HydrophobicContact CB-CD1 4.2Å; A552-F599 HydrophobicContact CB-CE1 3.84Å; A552-F599 HydrophobicContact CB-CZ 4.06Å
553	P	93.4	Very high	96.1	Very high	42 Å²	42	12.3 Å²	12.3	27%	0.273	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-13.1	-178.3	26.5	-33.2	0	0	0	114.4	L511 F512 F599 N600	L511-P553 VanDerWaalsContact CD1-CA 3.43Å; L511-P553 HydrophobicContact CD1-CB 4.27Å; F512-P553 VanDerWaalsContact CZ-O 3.31Å; F512-P553 WeakPolarHBondContact CZ-O 3.32Å; P553-F599 VanDerWaalsContact CD-CB 3.44Å; P553-F599 HydrophobicContact CG-CB 4.06Å; P553-N600 WeakPolarHBondContact CG-O 3.46Å
554	Y	91.1	Very high	96.1	Very high	54 Å²	54	11 Å²	11	21%	0.212	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-9.1	-175.6	55.7	-100.6	0	0	0	113.9	A552 V558 F599 L620 L624 R625	A552-Y554 HydrophobicContact CB-CD1 4.2Å; A552-Y554 HydrophobicContact CB-CD2 4.35Å; A552-Y554 HydrophobicContact CB-CE1 3.8Å; A552-Y554 HydrophobicContact CB-CE2 3.95Å; A552-Y554 HydrophobicContact CB-CG 4.46Å; A552-Y554 PolarHBondContact O-N 2.82Å; A552-Y554 VanDerWaalsContact O-N 3.12Å; Y554-V558 HydrophobicContact CE2-CB 4.4Å; Y554-V558 HydrophobicContact CE2-CG1 4.37Å; Y554-V558 HydrophobicContact CE2-CG2 4.35Å; Y554-F599 HydrophobicContact CE1-CD1 4.38Å; Y554-F599 HydrophobicContact CE1-CE1 4.39Å; Y554-L620 HydrophobicContact CE1-CD1 4.04Å; Y554-L620 WeakPolarHBondContact OH-CD1 3.45Å; Y554-L624 PolarHBondContact OH-O 2.63Å; Y554-R625 HydrophobicContact CE2-CB 4.01Å
555	S	92.5	Very high	96	Very high	5 Å²	5	13 Å²	13	4%	0.035	8%	0.08	C	C	.	.			trans	-153	142.2	175.7	-171	0	0	0	0	113	F512 A552 T557 E643 K646	F512-S555 VanDerWaalsContact CE2-C 3.45Å; A552-S555 PolarHBondContact O-N 3.05Å; A552-S555 VanDerWaalsContact O-O 3.07Å; S555-T557 VanDerWaalsContact C-N 3.25Å; S555-T557 PolarHBondContact O-N 2.83Å; S555-T557 PolarHBondContact OG-N 2.89Å; S555-T557 PolarHBondContact OG-OG1 2.66Å; S555-E643 VanDerWaalsContact CA-OE2 3.31Å; S555-E643 WeakPolarHBondContact CA-OE2 3.38Å; S555-E643 PolarHBondContact OG-OE2 3.25Å; S555-K646 PolarHBondContact OG-NZ 2.81Å
556	S	93.2	Very high	95.8	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-19.5	175.1	56.7	0	0	0	0	114.7	N510 W551 E643	N510-S556 PolarHBondContact ND2-O 3.09Å; W551-S556 VanDerWaalsContact CZ3-O 3.23Å; W551-S556 WeakPolarHBondContact CZ3-O 3.39Å; S556-E643 PolarHBondContact N-OE2 2.87Å; S556-E643 PolarHBondContact OG-O 3.23Å; S556-E643 PolarHBondContact OG-OE2 2.87Å
557	T	94	Very high	95.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-7.1	-172	62.2	0	0	0	0	113.7	S555 D572 L573 K646 L647 I650	S555-T557 VanDerWaalsContact C-N 3.25Å; S555-T557 PolarHBondContact O-N 2.83Å; S555-T557 PolarHBondContact OG-N 2.89Å; S555-T557 PolarHBondContact OG-OG1 2.66Å; T557-D572 WeakPolarHBondContact CB-OD1 3.33Å; T557-D572 WeakPolarHBondContact O-CA 3.11Å; T557-D572 PolarHBondContact OG1-OD1 2.96Å; T557-L573 WeakPolarHBondContact O-CG 3.46Å; T557-L573 PolarHBondContact O-N 2.91Å; T557-K646 HydrophobicContact CG2-CD 3.8Å; T557-K646 HydrophobicContact CG2-CG 3.92Å; T557-K646 WeakPolarHBondContact OG1-CE 3.36Å; T557-K646 PolarHBondContact OG1-NZ 3.04Å; T557-L647 HydrophobicContact CG2-CB 4.49Å; T557-L647 HydrophobicContact CG2-CD1 4.14Å; T557-I650 HydrophobicContact CG2-CD1 3.41Å; T557-I650 VanDerWaalsContact CG2-CD1 3.41Å
558	V	95.5	Very high	95.8	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.012	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.7	-175.7	-179	0	0	0	0	109.5	A552 Y554 V570 Y571 D572	A552-V558 HydrophobicContact CB-CB 3.73Å; A552-V558 HydrophobicContact CB-CG1 3.75Å; A552-V558 WeakPolarHBondContact CB-O 3.26Å; A552-V558 PolarHBondContact N-O 2.91Å; Y554-V558 HydrophobicContact CE2-CB 4.4Å; Y554-V558 HydrophobicContact CE2-CG1 4.37Å; Y554-V558 HydrophobicContact CE2-CG2 4.35Å; V558-V570 HydrophobicContact CG1-CG1 4.28Å; V558-Y571 VanDerWaalsContact CA-O 3.25Å; V558-Y571 WeakPolarHBondContact CA-O 3.41Å; V558-Y571 WeakPolarHBondContact CG1-O 3.49Å; V558-D572 HydrophobicContact CG2-CB 3.86Å
559	F	97.3	Very high	95.8	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	159.1	171.9	69.1	-89.6	0	0	0	110.2	I518 V526 I528 F540 V549 A550 W551 Y571 L573	I518-F559 HydrophobicContact CD1-CB 4.16Å; I518-F559 HydrophobicContact CD1-CD1 4.12Å; I518-F559 HydrophobicContact CD1-CD2 3.77Å; I518-F559 HydrophobicContact CD1-CE1 4.47Å; I518-F559 HydrophobicContact CD1-CE2 4.15Å; I518-F559 HydrophobicContact CD1-CG 3.75Å; I518-F559 HydrophobicContact CD1-CZ 4.48Å; V526-F559 HydrophobicContact CG1-CE2 4.07Å; I528-F559 HydrophobicContact CD1-CD1 4.43Å; I528-F559 HydrophobicContact CD1-CE1 3.98Å; F540-F559 AromaticContact CD2-CZ 3.94Å; F540-F559 HydrophobicContact CD2-CZ 3.94Å; F540-F559 HydrophobicContact CE2-CE1 4.17Å; F540-F559 AromaticContact CE2-CZ 3.85Å; F540-F559 HydrophobicContact CE2-CZ 3.85Å; F540-F559 HydrophobicContact CG-CZ 4.42Å; F540-F559 HydrophobicContact CZ-CE1 4.4Å; F540-F559 HydrophobicContact CZ-CZ 4.26Å; V549-F559 HydrophobicContact CG2-CD2 3.92Å; A550-F559 CarbonylContact O-C 3.32Å; A550-F559 VanDerWaalsContact O-CA 3.26Å; A550-F559 WeakPolarHBondContact O-CA 3.31Å; A550-F559 WeakPolarHBondContact O-CB 3.5Å; W551-F559 HydrophobicContact CD2-CB 4.37Å; W551-F559 HydrophobicContact CE3-CB 3.86Å; W551-F559 HydrophobicContact CZ3-CB 4.16Å; W551-F559 HydrophobicContact CZ3-CD1 4.13Å; F559-Y571 HydrophobicContact CD2-CD2 4.25Å; F559-Y571 HydrophobicContact CE1-CD2 4.37Å; F559-Y571 AromaticContact CE1-CG 3.92Å; F559-Y571 HydrophobicContact CE1-CG 3.92Å; F559-Y571 AromaticContact CE2-CD2 3.44Å; F559-Y571 HydrophobicContact CE2-CD2 3.44Å; F559-Y571 VanDerWaalsContact CE2-CD2 3.44Å; F559-Y571 HydrophobicContact CE2-CE2 4.14Å; F559-Y571 AromaticContact CE2-CG 3.85Å; F559-Y571 HydrophobicContact CE2-CG 3.85Å; F559-Y571 VanDerWaalsContact CZ-CB 3.44Å; F559-Y571 HydrophobicContact CZ-CD1 4.1Å; F559-Y571 AromaticContact CZ-CD2 3.52Å; F559-Y571 HydrophobicContact CZ-CD2 3.52Å; F559-Y571 HydrophobicContact CZ-CE2 4.28Å; F559-Y571 AromaticContact CZ-CG 3.42Å; F559-Y571 HydrophobicContact CZ-CG 3.42Å; F559-Y571 VanDerWaalsContact CZ-CG 3.42Å; F559-Y571 PolarHBondContact N-O 3.31Å; F559-Y571 VanDerWaalsContact N-O 3.16Å; F559-Y571 PolarHBondContact O-N 3.43Å; F559-L573 HydrophobicContact CE1-CD2 4.02Å; F559-L573 HydrophobicContact CE1-CG 4.27Å
560	A	98	Very high	95.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.5	172.1	0	0	0	0	0	110.8	V549 A550 H569 V570 I597 F599	V549-A560 WeakPolarHBondContact CA-O 3.4Å; V549-A560 WeakPolarHBondContact CG2-O 3.18Å; A550-A560 PolarHBondContact N-O 3.12Å; A550-A560 PolarHBondContact O-N 2.9Å; A560-H569 CarbonylContact C-O 3.41Å; A560-H569 WeakPolarHBondContact CA-O 3.16Å; A560-V570 HydrophobicContact CB-CG2 4.08Å; A560-I597 HydrophobicContact CB-CD1 3.52Å; A560-F599 HydrophobicContact CB-CE2 3.66Å; A560-F599 HydrophobicContact CB-CZ 3.57Å
561	A	98.3	Very high	95.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	147.1	179.2	0	0	0	0	0	110.1	V526 L542 V546 D548 V549 H569	V526-A561 HydrophobicContact CG2-CB 4.18Å; L542-A561 HydrophobicContact CD1-CB 3.81Å; V546-A561 HydrophobicContact CG1-CB 3.98Å; D548-A561 WeakPolarHBondContact O-CA 3.48Å; V549-A561 HydrophobicContact CB-CB 4.47Å; V549-A561 HydrophobicContact CG2-CB 4.25Å; A561-H569 PolarHBondContact N-O 2.83Å; A561-H569 PolarHBondContact O-N 2.93Å
562	V	97.8	Very high	95.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	138.7	174.8	-71.9	0	0	0	0	110.4	V546 G547 D548 V568 L594 I597 V608	V546-V562 CarbonylContact C-O 3.56Å; V546-V562 WeakPolarHBondContact CA-O 3.49Å; V546-V562 WeakPolarHBondContact CG1-O 3.4Å; G547-V562 PolarHBondContact N-O 2.98Å; D548-V562 HydrophobicContact CB-CG2 3.86Å; D548-V562 PolarHBondContact O-N 2.92Å; V562-V568 HydrophobicContact CG1-CG2 4.06Å; V562-L594 HydrophobicContact CB-CB 3.87Å; V562-L594 HydrophobicContact CB-CD1 4.45Å; V562-L594 HydrophobicContact CG1-CB 4.28Å; V562-L594 HydrophobicContact CG1-CD1 4.25Å; V562-I597 HydrophobicContact CG1-CB 3.76Å; V562-I597 HydrophobicContact CG1-CD1 3.96Å; V562-I597 HydrophobicContact CG1-CG1 4.34Å; V562-I597 HydrophobicContact CG1-CG2 4.32Å; V562-I597 HydrophobicContact CG2-CB 4.28Å; V562-I597 HydrophobicContact CG2-CG2 4.23Å; V562-V608 HydrophobicContact CG1-CG1 3.87Å; V562-V608 HydrophobicContact CG1-CG2 4.25Å
563	T	97.1	Very high	95.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	153.4	-178.4	50.3	0	0	0	0	111.5	L542 P545 V546 D565 G566 R567	L542-T563 HydrophobicContact CB-CG2 3.8Å; L542-T563 HydrophobicContact CD1-CG2 3.73Å; L542-T563 HydrophobicContact CG-CG2 4.42Å; P545-T563 CarbonylContact O-C 3.5Å; P545-T563 WeakPolarHBondContact O-CA 3.24Å; V546-T563 HydrophobicContact CG2-CG2 4.43Å; T563-D565 WeakPolarHBondContact CB-OD1 3.34Å; T563-D565 PolarHBondContact O-N 3.39Å; T563-D565 VanDerWaalsContact O-N 3.07Å; T563-D565 PolarHBondContact OG1-OD1 3.12Å; T563-G566 PolarHBondContact O-N 2.92Å; T563-G566 VanDerWaalsContact O-N 3.13Å; T563-R567 PolarHBondContact N-O 3.4Å; T563-R567 VanDerWaalsContact N-O 3.08Å; T563-R567 WeakPolarHBondContact OG1-CB 3.37Å; T563-R567 PolarHBondContact OG1-O 3.18Å
564	A	94.9	Very high	95.2	Very high	26 Å²	26	15 Å²	15	22%	0.215	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-11.8	-178	0	0	0	0	0	113.9	P545 G566 K593	P545-A564 HydrophobicContact CB-CB 4.16Å; P545-A564 HydrophobicContact CG-CB 4.45Å; P545-A564 PolarHBondContact O-N 2.92Å; A564-G566 VanDerWaalsContact C-N 3.31Å; A564-K593 HydrophobicContact CB-CB 4.43Å; A564-K593 HydrophobicContact CB-CD 4.3Å; A564-K593 HydrophobicContact CB-CG 4.38Å; A564-K593 WeakPolarHBondContact O-CG 3.42Å
565	D	93.8	Very high	95.2	Very high	55 Å²	55	15.4 Å²	15.4	29%	0.294	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	7.7	176.4	72.5	-32.5	0	0	0	113.6	S544 T563 R567	S544-D565 PolarHBondContact OG-N 3.37Å; T563-D565 WeakPolarHBondContact CB-OD1 3.34Å; T563-D565 PolarHBondContact O-N 3.39Å; T563-D565 VanDerWaalsContact O-N 3.07Å; T563-D565 PolarHBondContact OG1-OD1 3.12Å; D565-R567 VanDerWaalsContact OD2-CD 3.29Å; D565-R567 WeakPolarHBondContact OD2-CD 3.38Å; D565-R567 IonicContact OD2-CZ 3.54Å; D565-R567 IonicContact OD2-NE 2.79Å; D565-R567 IonicContact OD2-NH1 3.48Å; D565-R567 PolarHBondContact OD2-NH1 2.94Å
566	G	94.3	Very high	95	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	94.9	9.3	173.4	0	0	0	0	0	114.8	T563 A564 I586 L594	T563-G566 PolarHBondContact O-N 2.92Å; T563-G566 VanDerWaalsContact O-N 3.13Å; A564-G566 VanDerWaalsContact C-N 3.31Å; G566-I586 PolarHBondContact O-N 3.17Å; G566-L594 VanDerWaalsContact C-CD1 3.44Å; G566-L594 WeakPolarHBondContact O-CD1 3.31Å
567	R	95.8	Very high	94.9	Very high	101 Å²	101	19.9 Å²	19.9	38%	0.381	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	147.6	-174.2	-66	177.9	170.7	124.9	7.3	113	T563 D565 N583 Q584 L585	T563-R567 PolarHBondContact N-O 3.4Å; T563-R567 VanDerWaalsContact N-O 3.08Å; T563-R567 WeakPolarHBondContact OG1-CB 3.37Å; T563-R567 PolarHBondContact OG1-O 3.18Å; D565-R567 VanDerWaalsContact OD2-CD 3.29Å; D565-R567 WeakPolarHBondContact OD2-CD 3.38Å; D565-R567 IonicContact OD2-CZ 3.54Å; D565-R567 IonicContact OD2-NE 2.79Å; D565-R567 IonicContact OD2-NH1 3.48Å; D565-R567 PolarHBondContact OD2-NH1 2.94Å; R567-N583 WeakPolarHBondContact CD-OD1 3.38Å; R567-Q584 WeakPolarHBondContact CA-O 3.46Å; R567-L585 HydrophobicContact CG-CB 4.33Å; R567-L585 HydrophobicContact CG-CD1 3.99Å
568	V	97.6	Very high	94.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.5	167.7	179.5	0	0	0	0	107.8	L280 V562 V570 Q584 I586 L594 I597 I606 V608 L618	L280-V568 HydrophobicContact CD1-CB 3.69Å; L280-V568 HydrophobicContact CD1-CG1 3.58Å; L280-V568 HydrophobicContact CD1-CG2 4.43Å; V562-V568 HydrophobicContact CG1-CG2 4.06Å; V568-V570 HydrophobicContact CG1-CG2 4.24Å; V568-Q584 PolarHBondContact N-O 3.25Å; V568-Q584 PolarHBondContact O-N 2.96Å; V568-Q584 VanDerWaalsContact O-N 3.09Å; V568-I586 HydrophobicContact CB-CG1 4.19Å; V568-I586 HydrophobicContact CG2-CD1 4.46Å; V568-I586 HydrophobicContact CG2-CG1 3.53Å; V568-L594 HydrophobicContact CG2-CD1 3.91Å; V568-I597 HydrophobicContact CG1-CD1 4.16Å; V568-I606 HydrophobicContact CG1-CD1 3.99Å; V568-V608 HydrophobicContact CG2-CG1 4.46Å; V568-V608 HydrophobicContact CG2-CG2 3.94Å; V568-L618 HydrophobicContact CG2-CD1 4.13Å
569	H	97.6	Very high	94.4	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.028	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.9	175.6	-59.2	-102.3	0	0	0	108.9	A560 A561 Y571 C582 N583	A560-H569 CarbonylContact C-O 3.41Å; A560-H569 WeakPolarHBondContact CA-O 3.16Å; A561-H569 PolarHBondContact N-O 2.83Å; A561-H569 PolarHBondContact O-N 2.93Å; H569-Y571 HydrophobicContact CB-CD2 4.36Å; H569-Y571 HydrophobicContact CB-CE2 3.77Å; H569-C582 CarbonylContact C-O 3.55Å; H569-C582 WeakPolarHBondContact CA-O 3.29Å; H569-N583 PolarHBondContact CE1-OD1 2.65Å
570	V	97.4	Very high	94.3	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.4	174.8	-173	0	0	0	0	108.8	L280 V558 A560 V568 P580 L581 C582 L620 L624	L280-V570 HydrophobicContact CD1-CG2 4.41Å; L280-V570 HydrophobicContact CD2-CG2 4.22Å; V558-V570 HydrophobicContact CG1-CG1 4.28Å; A560-V570 HydrophobicContact CB-CG2 4.08Å; V568-V570 HydrophobicContact CG1-CG2 4.24Å; V570-P580 CarbonylContact O-C 3.57Å; V570-L581 PolarHBondContact O-N 2.99Å; V570-C582 HydrophobicContact CB-CB 4.08Å; V570-C582 HydrophobicContact CG2-CB 4.3Å; V570-C582 PolarHBondContact N-O 2.52Å; V570-C582 PolarHBondContact O-N 2.86Å; V570-L620 HydrophobicContact CG2-CD2 4.44Å; V570-L624 HydrophobicContact CB-CD1 4.3Å; V570-L624 HydrophobicContact CB-CD2 4.24Å; V570-L624 HydrophobicContact CG1-CB 4.35Å; V570-L624 HydrophobicContact CG1-CD1 4.29Å; V570-L624 HydrophobicContact CG1-CD2 4.04Å; V570-L624 HydrophobicContact CG1-CG 4.45Å; V570-L624 HydrophobicContact CG2-CD1 4.27Å
571	Y	96	Very high	94.1	Very high	7 Å²	7	34.8 Å²	34.8	3%	0.027	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	146	-179.3	-73.2	-97.4	0	0	0	110.2	F540 L542 V558 F559 H569 P580	F540-Y571 HydrophobicContact CD1-CD1 4.05Å; F540-Y571 AromaticContact CD1-CE1 3.58Å; F540-Y571 HydrophobicContact CD1-CE1 3.58Å; F540-Y571 AromaticContact CE1-CD1 4Å; F540-Y571 HydrophobicContact CE1-CD1 4Å; F540-Y571 AromaticContact CE1-CE1 3.96Å; F540-Y571 HydrophobicContact CE1-CE1 3.96Å; F540-Y571 HydrophobicContact CG-CE1 4.35Å; L542-Y571 HydrophobicContact CD2-CE2 3.94Å; L542-Y571 WeakPolarHBondContact CD2-OH 3.36Å; V558-Y571 VanDerWaalsContact CA-O 3.25Å; V558-Y571 WeakPolarHBondContact CA-O 3.41Å; V558-Y571 WeakPolarHBondContact CG1-O 3.49Å; F559-Y571 HydrophobicContact CD2-CD2 4.25Å; F559-Y571 HydrophobicContact CE1-CD2 4.37Å; F559-Y571 AromaticContact CE1-CG 3.92Å; F559-Y571 HydrophobicContact CE1-CG 3.92Å; F559-Y571 AromaticContact CE2-CD2 3.44Å; F559-Y571 HydrophobicContact CE2-CD2 3.44Å; F559-Y571 VanDerWaalsContact CE2-CD2 3.44Å; F559-Y571 HydrophobicContact CE2-CE2 4.14Å; F559-Y571 AromaticContact CE2-CG 3.85Å; F559-Y571 HydrophobicContact CE2-CG 3.85Å; F559-Y571 VanDerWaalsContact CZ-CB 3.44Å; F559-Y571 HydrophobicContact CZ-CD1 4.1Å; F559-Y571 AromaticContact CZ-CD2 3.52Å; F559-Y571 HydrophobicContact CZ-CD2 3.52Å; F559-Y571 HydrophobicContact CZ-CE2 4.28Å; F559-Y571 AromaticContact CZ-CG 3.42Å; F559-Y571 HydrophobicContact CZ-CG 3.42Å; F559-Y571 VanDerWaalsContact CZ-CG 3.42Å; F559-Y571 PolarHBondContact N-O 3.31Å; F559-Y571 VanDerWaalsContact N-O 3.16Å; F559-Y571 PolarHBondContact O-N 3.43Å; H569-Y571 HydrophobicContact CB-CD2 4.36Å; H569-Y571 HydrophobicContact CB-CE2 3.77Å; Y571-P580 HydrophobicContact CD1-CB 4.34Å; Y571-P580 HydrophobicContact CD2-CB 4.27Å; Y571-P580 HydrophobicContact CE1-CB 3.92Å; Y571-P580 HydrophobicContact CE1-CG 4.44Å; Y571-P580 VanDerWaalsContact CE1-N 3.29Å; Y571-P580 HydrophobicContact CE2-CB 3.84Å; Y571-P580 HydrophobicContact CG-CB 4.5Å
572	D	94.3	Very high	93.9	Very high	4 Å²	4	35 Å²	35	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	105.8	161.5	-174.5	-13.4	0	0	0	108.6	T557 V558 S574 I575 N576 L581	T557-D572 WeakPolarHBondContact CB-OD1 3.33Å; T557-D572 WeakPolarHBondContact O-CA 3.11Å; T557-D572 PolarHBondContact OG1-OD1 2.96Å; V558-D572 HydrophobicContact CG2-CB 3.86Å; D572-S574 VanDerWaalsContact CG-OG 3.22Å; D572-S574 PolarHBondContact O-N 2.89Å; D572-S574 VanDerWaalsContact OD1-CB 3.31Å; D572-S574 WeakPolarHBondContact OD1-CB 3.35Å; D572-S574 PolarHBondContact OD1-N 3.09Å; D572-S574 PolarHBondContact OD1-OG 3.24Å; D572-S574 PolarHBondContact OD2-OG 2.79Å; D572-I575 HydrophobicContact CB-CB 4.43Å; D572-I575 HydrophobicContact CB-CD1 4.34Å; D572-I575 HydrophobicContact CB-CG1 4.4Å; D572-I575 PolarHBondContact O-N 3.37Å; D572-N576 PolarHBondContact O-N 3.49Å; D572-L581 HydrophobicContact CB-CD1 3.45Å; D572-L581 VanDerWaalsContact CB-CD1 3.45Å; D572-L581 HydrophobicContact CB-CG 4.28Å
573	L	92.8	Very high	93.8	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.3	-177	-56	171.2	0	0	0	113.2	I528 F540 T557 F559 K577 L647 I650	I528-L573 HydrophobicContact CD1-CD1 3.53Å; I528-L573 HydrophobicContact CD1-CD2 4.19Å; I528-L573 HydrophobicContact CD1-CG 4.42Å; F540-L573 HydrophobicContact CE1-CD2 4.28Å; F540-L573 HydrophobicContact CE2-CD2 4.27Å; F540-L573 HydrophobicContact CZ-CD2 3.49Å; F540-L573 VanDerWaalsContact CZ-CD2 3.49Å; T557-L573 WeakPolarHBondContact O-CG 3.46Å; T557-L573 PolarHBondContact O-N 2.91Å; F559-L573 HydrophobicContact CE1-CD2 4.02Å; F559-L573 HydrophobicContact CE1-CG 4.27Å; L573-K577 WeakPolarHBondContact O-CG 3.32Å; L573-L647 HydrophobicContact CD1-CD1 4.27Å; L573-I650 HydrophobicContact CB-CD1 4.17Å; L573-I650 HydrophobicContact CB-CG2 4.15Å
574	S	90.3	Very high	93.7	Very high	53 Å²	53	41.5 Å²	41.5	37%	0.371	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-20.3	178.2	73.5	0	0	0	0	113.5	D572 K646	D572-S574 VanDerWaalsContact CG-OG 3.22Å; D572-S574 PolarHBondContact O-N 2.89Å; D572-S574 VanDerWaalsContact OD1-CB 3.31Å; D572-S574 WeakPolarHBondContact OD1-CB 3.35Å; D572-S574 PolarHBondContact OD1-N 3.09Å; D572-S574 PolarHBondContact OD1-OG 3.24Å; D572-S574 PolarHBondContact OD2-OG 2.79Å; S574-K646 VanDerWaalsContact CB-CE 3.41Å; S574-K646 VanDerWaalsContact OG-CE 3.29Å; S574-K646 WeakPolarHBondContact OG-CE 3.44Å; S574-K646 PolarHBondContact OG-NZ 3.36Å
575	I	89.8	Confident	93.8	Very high	63 Å²	63	44.1 Å²	44.1	32%	0.323	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-57.6	-179.2	-61.3	177	0	0	0	109.9	N276 D572 L581	N276-I575 HydrophobicContact CB-CG2 3.61Å; D572-I575 HydrophobicContact CB-CB 4.43Å; D572-I575 HydrophobicContact CB-CD1 4.34Å; D572-I575 HydrophobicContact CB-CG1 4.4Å; D572-I575 PolarHBondContact O-N 3.37Å; I575-L581 HydrophobicContact CB-CD1 4.27Å; I575-L581 HydrophobicContact CB-CD2 4.27Å; I575-L581 HydrophobicContact CD1-CD1 3.95Å; I575-L581 HydrophobicContact CG2-CD1 4.44Å; I575-L581 HydrophobicContact CG2-CD2 3.83Å
576	N	89.9	Confident	93.8	Very high	47 Å²	47	42.9 Å²	42.9	25%	0.251	21%	0.211	S	C	.	.			trans	-131.8	124.4	175.8	-168.5	-22.1	0	0	0	109.6	D572 Y578 D579 L581	D572-N576 PolarHBondContact O-N 3.49Å; N576-Y578 PolarHBondContact OD1-N 3.1Å; N576-D579 WeakPolarHBondContact ND2-CB 3.5Å; N576-D579 PolarHBondContact ND2-OD2 3.31Å; N576-D579 VanDerWaalsContact ND2-OD2 3.15Å; N576-D579 PolarHBondContact OD1-N 3.02Å; N576-D579 VanDerWaalsContact OD1-N 3.13Å; N576-L581 HydrophobicContact CB-CD2 4.03Å
577	K	89.4	Confident	93.4	Very high	51 Å²	51	43.6 Å²	43.6	22%	0.222	22%	0.215	C	C	.	.	S	Bend	trans	-87.2	-13.4	-175.8	-63.8	-180	-177.3	-177.3	0	114	F538 F540 L573 L653	F538-K577 HydrophobicContact CE1-CB 4.39Å; F540-K577 WeakPolarHBondContact CE1-O 3.46Å; L573-K577 WeakPolarHBondContact O-CG 3.32Å; K577-L653 VanDerWaalsContact NZ-CB 3.31Å; K577-L653 VanDerWaalsContact NZ-CD1 3.35Å
578	Y	87.6	Confident	92.6	Very high	172 Å²	172	44.6 Å²	44.6	68%	0.675	23%	0.232	S	C	*	.	S	Bend	trans	-123.8	-40.6	-169.4	-57.2	-64.4	0	0	0	112	N576	N576-Y578 PolarHBondContact OD1-N 3.1Å
579	D	92.2	Very high	91.8	Very high	97 Å²	97	49.8 Å²	49.8	52%	0.519	26%	0.255	S	S	.	.	S	Bend	trans	-102.6	147.1	-179.4	-47.5	-61.9	0	0	0	112.3	N576	N576-D579 WeakPolarHBondContact ND2-CB 3.5Å; N576-D579 PolarHBondContact ND2-OD2 3.31Å; N576-D579 VanDerWaalsContact ND2-OD2 3.15Å; N576-D579 PolarHBondContact OD1-N 3.02Å; N576-D579 VanDerWaalsContact OD1-N 3.13Å
580	P	94.4	Very high	90.9	Very high	35 Å²	35	58.9 Å²	58.9	23%	0.227	29%	0.294	C	S	.	.			trans	-64.6	138.8	172.4	26.7	-32.3	0	0	0	110.4	V570 Y571 C582 N583	V570-P580 CarbonylContact O-C 3.57Å; Y571-P580 HydrophobicContact CD1-CB 4.34Å; Y571-P580 HydrophobicContact CD2-CB 4.27Å; Y571-P580 HydrophobicContact CE1-CB 3.92Å; Y571-P580 HydrophobicContact CE1-CG 4.44Å; Y571-P580 VanDerWaalsContact CE1-N 3.29Å; Y571-P580 HydrophobicContact CE2-CB 3.84Å; Y571-P580 HydrophobicContact CG-CB 4.5Å; P580-C582 VanDerWaalsContact C-N 3.28Å; P580-N583 HydrophobicContact CG-CB 4.1Å
581	L	94	Very high	90.2	Very high	11 Å²	11	66 Å²	66	6%	0.058	33%	0.332	C	S	.	.	S	Bend	trans	-71	-28.4	171.1	-67.8	-169.7	0	0	0	112.4	Q277 G278 V570 D572 I575 N576 L624	Q277-L581 WeakPolarHBondContact CA-O 3.18Å; G278-L581 PolarHBondContact N-O 2.85Å; V570-L581 PolarHBondContact O-N 2.99Å; D572-L581 HydrophobicContact CB-CD1 3.45Å; D572-L581 VanDerWaalsContact CB-CD1 3.45Å; D572-L581 HydrophobicContact CB-CG 4.28Å; I575-L581 HydrophobicContact CB-CD1 4.27Å; I575-L581 HydrophobicContact CB-CD2 4.27Å; I575-L581 HydrophobicContact CD1-CD1 3.95Å; I575-L581 HydrophobicContact CG2-CD1 4.44Å; I575-L581 HydrophobicContact CG2-CD2 3.83Å; N576-L581 HydrophobicContact CB-CD2 4.03Å; L581-L624 HydrophobicContact CB-CD2 3.65Å; L581-L624 HydrophobicContact CD1-CD2 4.35Å
582	C	95.1	Very high	90	Very high	6 Å²	6	65.9 Å²	65.9	4%	0.041	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	130	172.2	-172	0	0	0	0	109.4	G278 H569 V570 P580 L624	G278-C582 WeakPolarHBondContact O-CB 3.05Å; G278-C582 PolarHBondContact O-SG 3.46Å; H569-C582 CarbonylContact C-O 3.55Å; H569-C582 WeakPolarHBondContact CA-O 3.29Å; V570-C582 HydrophobicContact CB-CB 4.08Å; V570-C582 HydrophobicContact CG2-CB 4.3Å; V570-C582 PolarHBondContact N-O 2.52Å; V570-C582 PolarHBondContact O-N 2.86Å; P580-C582 VanDerWaalsContact C-N 3.28Å; C582-L624 HydrophobicContact CB-CD1 3.87Å; C582-L624 HydrophobicContact CB-CD2 3.91Å
583	N	95.5	Very high	90	Very high	87 Å²	87	71 Å²	71	47%	0.465	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	104.3	168.4	176.5	-0.3	0	0	0	107.2	R567 H569 P580	R567-N583 WeakPolarHBondContact CD-OD1 3.38Å; H569-N583 PolarHBondContact CE1-OD1 2.65Å; P580-N583 HydrophobicContact CG-CB 4.1Å
584	Q	95.6	Very high	90.1	Very high	48 Å²	48	71.1 Å²	71.1	22%	0.224	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130	-172.2	-169.3	173.9	-37.9	0	0	111.4	L280 R567 V568 I586	L280-Q584 HydrophobicContact CD1-CB 4.42Å; L280-Q584 PolarHBondContact O-NE2 2.88Å; L280-Q584 PolarHBondContact O-OE1 2.83Å; R567-Q584 WeakPolarHBondContact CA-O 3.46Å; V568-Q584 PolarHBondContact N-O 3.25Å; V568-Q584 PolarHBondContact O-N 2.96Å; V568-Q584 VanDerWaalsContact O-N 3.09Å; Q584-I586 HydrophobicContact CB-CD1 4.31Å; Q584-I586 HydrophobicContact CG-CD1 4.03Å; Q584-I586 PolarHBondContact O-N 2.91Å
585	L	95.6	Very high	90.4	Very high	82 Å²	82	69.3 Å²	69.3	43%	0.429	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	118.6	169.6	-175.7	73	0	0	0	108.9	R567 T588	R567-L585 HydrophobicContact CG-CB 4.33Å; R567-L585 HydrophobicContact CG-CD1 3.99Å; L585-T588 HydrophobicContact CD2-CG2 4.49Å
586	I	93.8	Very high	90.8	Very high	29 Å²	29	67.5 Å²	67.5	15%	0.149	33%	0.332	C	S	.	.			trans	-96.6	-42.4	-178.2	-58.7	-54.9	0	0	0	110.9	L280 G566 V568 Q584 N616 L618	L280-I586 HydrophobicContact CB-CD1 4.43Å; L280-I586 HydrophobicContact CD1-CD1 4.24Å; G566-I586 PolarHBondContact O-N 3.17Å; V568-I586 HydrophobicContact CB-CG1 4.19Å; V568-I586 HydrophobicContact CG2-CD1 4.46Å; V568-I586 HydrophobicContact CG2-CG1 3.53Å; Q584-I586 HydrophobicContact CB-CD1 4.31Å; Q584-I586 HydrophobicContact CG-CD1 4.03Å; Q584-I586 PolarHBondContact O-N 2.91Å; I586-N616 HydrophobicContact CG2-CB 4.4Å; I586-L618 HydrophobicContact CD1-CD1 3.63Å; I586-L618 HydrophobicContact CD1-CD2 4.01Å; I586-L618 HydrophobicContact CD1-CG 4.48Å; I586-L618 HydrophobicContact CG1-CD1 3.77Å; I586-L618 HydrophobicContact CG2-CD1 4.24Å; I586-L618 HydrophobicContact CG2-CD2 4.01Å
587	V	86.7	Confident	91.2	Very high	14 Å²	14	65.4 Å²	65.4	9%	0.085	32%	0.321	C	S	.	.			trans	-104.4	118.5	-179.7	-173.9	0	0	0	0	109.9	K589 T592 L594	V587-K589 HydrophobicContact CG1-CB 3.98Å; V587-T592 HydrophobicContact CB-CG2 4.39Å; V587-T592 HydrophobicContact CG1-CG2 3.65Å; V587-T592 HydrophobicContact CG2-CG2 4.5Å; V587-L594 HydrophobicContact CG2-CD2 3.67Å
588	T	79.2	Confident	91.6	Very high	123 Å²	123	63.7 Å²	63.7	76%	0.755	32%	0.316	S	S	*	.			trans	-90.2	-11.8	179.5	55.6	0	0	0	0	113.2	L585 K590	L585-T588 HydrophobicContact CD2-CG2 4.49Å; T588-K590 PolarHBondContact O-N 3.1Å
589	K	81.2	Confident	92.1	Very high	109 Å²	109	56.3 Å²	56.3	47%	0.474	29%	0.288	S	S	.	.	S	Bend	trans	-66.2	127.5	176.5	-71.6	176.3	-173.5	159.3	0	109.1	V587 N591 T592	V587-K589 HydrophobicContact CG1-CB 3.98Å; K589-N591 PolarHBondContact O-N 2.65Å; K589-T592 WeakPolarHBondContact CB-OG1 3.33Å; K589-T592 PolarHBondContact O-N 2.92Å; K589-T592 PolarHBondContact O-OG1 2.62Å
590	K	78.7	Confident	92.3	Very high	197 Å²	197	51.8 Å²	51.8	86%	0.857	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	136.8	176.6	-66.8	-172.6	177.9	-175.6	0	109.7	T588 T592	T588-K590 PolarHBondContact O-N 3.1Å; K590-T592 VanDerWaalsContact C-N 3.27Å; K590-T592 PolarHBondContact O-N 3.2Å
591	N	82.5	Confident	92.2	Very high	149 Å²	149	53.5 Å²	53.5	80%	0.797	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	16.1	177.1	-55.9	-11.7	0	0	0	115.9	K589	K589-N591 PolarHBondContact O-N 2.65Å
592	T	91.5	Very high	92.2	Very high	6 Å²	6	59.3 Å²	59.3	4%	0.037	30%	0.301	C	S	.	.			trans	-89.7	127.1	170.6	-51.8	0	0	0	0	109.8	V587 K589 K590 D610 D611 H612	V587-T592 HydrophobicContact CB-CG2 4.39Å; V587-T592 HydrophobicContact CG1-CG2 3.65Å; V587-T592 HydrophobicContact CG2-CG2 4.5Å; K589-T592 WeakPolarHBondContact CB-OG1 3.33Å; K589-T592 PolarHBondContact O-N 2.92Å; K589-T592 PolarHBondContact O-OG1 2.62Å; K590-T592 VanDerWaalsContact C-N 3.27Å; K590-T592 PolarHBondContact O-N 3.2Å; T592-D610 HydrophobicContact CG2-CB 3.76Å; T592-D611 WeakPolarHBondContact CA-OD1 3.14Å; T592-D611 WeakPolarHBondContact CG2-OD1 3.48Å; T592-H612 VanDerWaalsContact CG2-CD2 3.49Å; T592-H612 WeakPolarHBondContact CG2-CD2 3.35Å; T592-H612 PolarHBondContact OG1-CD2 3.15Å; T592-H612 PolarHBondContact OG1-NE2 3.01Å; T592-H612 VanDerWaalsContact OG1-NE2 3.08Å
593	K	93.8	Very high	92.1	Very high	111 Å²	111	62.2 Å²	62.2	48%	0.483	31%	0.312	S	S	.	.			trans	-105	138.7	-177.9	-54.2	-179.7	-180	176.1	0	109.7	A564 D610 D611	A564-K593 HydrophobicContact CB-CB 4.43Å; A564-K593 HydrophobicContact CB-CD 4.3Å; A564-K593 HydrophobicContact CB-CG 4.38Å; A564-K593 WeakPolarHBondContact O-CG 3.42Å; K593-D610 CarbonylContact O-C 3.46Å; K593-D610 VanDerWaalsContact O-CA 3.28Å; K593-D610 WeakPolarHBondContact O-CA 3.48Å; K593-D611 HydrophobicContact CB-CB 4.39Å; K593-D611 WeakPolarHBondContact CG-OD2 3.39Å; K593-D611 PolarHBondContact N-OD1 2.89Å; K593-D611 PolarHBondContact N-OD2 3.04Å; K593-D611 PolarHBondContact O-N 2.98Å
594	L	96.3	Very high	92	Very high	3 Å²	3	60 Å²	60	2%	0.016	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	137	168.4	-61.4	178.3	0	0	0	109.3	V562 G566 V568 V587 V608 G609 D610	V562-L594 HydrophobicContact CB-CB 3.87Å; V562-L594 HydrophobicContact CB-CD1 4.45Å; V562-L594 HydrophobicContact CG1-CB 4.28Å; V562-L594 HydrophobicContact CG1-CD1 4.25Å; G566-L594 VanDerWaalsContact C-CD1 3.44Å; G566-L594 WeakPolarHBondContact O-CD1 3.31Å; V568-L594 HydrophobicContact CG2-CD1 3.91Å; V587-L594 HydrophobicContact CG2-CD2 3.67Å; L594-V608 HydrophobicContact CB-CG1 4.14Å; L594-V608 HydrophobicContact CD1-CG1 3.81Å; L594-V608 HydrophobicContact CD2-CG1 3.54Å; L594-V608 HydrophobicContact CG-CG1 3.99Å; L594-G609 WeakPolarHBondContact CA-O 3.23Å; L594-D610 HydrophobicContact CD2-CB 4.17Å
595	T	96.3	Very high	92.1	Very high	15 Å²	15	57.8 Å²	57.8	9%	0.092	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	-46.8	-170.9	54.8	0	0	0	0	112.5	V296 Y316 G547 D548 G609 D611	V296-T595 WeakPolarHBondContact O-CB 3.48Å; V296-T595 PolarHBondContact O-OG1 2.99Å; Y316-T595 HydrophobicContact CE2-CG2 4.12Å; G547-T595 CarbonylContact C-O 3.55Å; G547-T595 VanDerWaalsContact C-O 3.31Å; D548-T595 WeakPolarHBondContact CB-O 3.24Å; T595-G609 PolarHBondContact N-O 3.29Å; T595-G609 PolarHBondContact OG1-O 3.35Å; T595-D611 HydrophobicContact CG2-CB 4.15Å
596	H	97.7	Very high	92.2	Very high	26 Å²	26	53.9 Å²	53.9	12%	0.12	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	150.4	-174	-74.1	-90	0	0	0	112.5	V296 T297 L299 Y316 D548 V608 G609	V296-H596 PolarHBondContact O-CD2 2.87Å; T297-H596 VanDerWaalsContact C-CD2 3.45Å; T297-H596 PolarHBondContact O-CD2 3.03Å; T297-H596 PolarHBondContact O-CE1 3.5Å; T297-H596 PolarHBondContact O-NE2 3.01Å; L299-H596 HydrophobicContact CD1-CB 3.82Å; L299-H596 HydrophobicContact CG-CB 3.99Å; Y316-H596 PolarHBondContact OH-NE2 3.16Å; D548-H596 IonicContact OD2-ND1 3.86Å; H596-V608 WeakPolarHBondContact O-CA 3.49Å; H596-G609 PolarHBondContact O-N 3.16Å
597	I	98.1	Very high	92.4	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	136.3	175.2	-173.1	164	0	0	0	111.3	D548 A550 A560 V562 V568 I606 I607 V608	D548-I597 HydrophobicContact CB-CG2 4.07Å; D548-I597 PolarHBondContact OD2-N 2.75Å; A550-I597 HydrophobicContact CB-CG2 4.08Å; A560-I597 HydrophobicContact CB-CD1 3.52Å; V562-I597 HydrophobicContact CG1-CB 3.76Å; V562-I597 HydrophobicContact CG1-CD1 3.96Å; V562-I597 HydrophobicContact CG1-CG1 4.34Å; V562-I597 HydrophobicContact CG1-CG2 4.32Å; V562-I597 HydrophobicContact CG2-CB 4.28Å; V562-I597 HydrophobicContact CG2-CG2 4.23Å; V568-I597 HydrophobicContact CG1-CD1 4.16Å; I597-I606 HydrophobicContact CD1-CD1 4.12Å; I597-I607 WeakPolarHBondContact CA-O 3.3Å; I597-V608 HydrophobicContact CD1-CG2 4.23Å; I597-V608 HydrophobicContact CG1-CG2 4.13Å
598	A	98	Very high	92.9	Very high	15 Å²	15	51.9 Å²	51.9	12%	0.124	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	126.3	173.9	0	0	0	0	0	111.9	L299 W301 I606 I607	L299-A598 HydrophobicContact CB-CB 4.15Å; W301-A598 PolarHBondContact NE1-O 3.34Å; A598-I606 WeakPolarHBondContact O-CA 3.48Å; A598-I607 HydrophobicContact CB-CD1 4.2Å; A598-I607 HydrophobicContact CB-CG1 3.87Å; A598-I607 PolarHBondContact N-O 2.79Å; A598-I607 WeakPolarHBondContact O-CG1 3.44Å; A598-I607 PolarHBondContact O-N 3.03Å
599	F	97.6	Very high	93.8	Very high	18 Å²	18	46 Å²	46	8%	0.079	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	139.9	169.8	-76.8	-96.4	0	0	0	110.9	W301 A550 W551 A552 P553 Y554 A560 I606 L620	W301-F599 PolarHBondContact NE1-O 2.93Å; A550-F599 HydrophobicContact CB-CD2 3.75Å; A550-F599 HydrophobicContact CB-CE2 4.01Å; A550-F599 VanDerWaalsContact O-CE2 3.32Å; A550-F599 WeakPolarHBondContact O-CE2 3.45Å; W551-F599 WeakPolarHBondContact O-CD2 3.47Å; A552-F599 HydrophobicContact CB-CD1 4.2Å; A552-F599 HydrophobicContact CB-CE1 3.84Å; A552-F599 HydrophobicContact CB-CZ 4.06Å; P553-F599 VanDerWaalsContact CD-CB 3.44Å; P553-F599 HydrophobicContact CG-CB 4.06Å; Y554-F599 HydrophobicContact CE1-CD1 4.38Å; Y554-F599 HydrophobicContact CE1-CE1 4.39Å; A560-F599 HydrophobicContact CB-CE2 3.66Å; A560-F599 HydrophobicContact CB-CZ 3.57Å; F599-I606 HydrophobicContact CB-CG2 4.48Å; F599-I606 HydrophobicContact CD1-CG2 3.34Å; F599-I606 HydrophobicContact CD2-CG2 4.23Å; F599-I606 HydrophobicContact CE1-CG2 3.45Å; F599-I606 VanDerWaalsContact CE1-CG2 3.45Å; F599-I606 HydrophobicContact CE2-CG2 4.3Å; F599-I606 HydrophobicContact CG-CG2 3.76Å; F599-I606 HydrophobicContact CZ-CG2 3.95Å; F599-L620 HydrophobicContact CD1-CD1 4.3Å; F599-L620 HydrophobicContact CE1-CD1 3.92Å
600	N	97	Very high	94.5	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	20%	0.203	C	C	.	.			trans	-72.3	133.2	169.4	-175.9	-75.2	0	0	0	110.1	W301 S306 P553 Q602 Y603 I605	W301-N600 HydrophobicContact CD2-CB 4.45Å; W301-N600 HydrophobicContact CH2-CB 4.46Å; W301-N600 VanDerWaalsContact CH2-ND2 3.31Å; W301-N600 WeakPolarHBondContact CH2-ND2 3.25Å; W301-N600 HydrophobicContact CZ2-CB 3.96Å; W301-N600 WeakPolarHBondContact CZ3-ND2 3.45Å; S306-N600 PolarHBondContact O-ND2 3.16Å; P553-N600 WeakPolarHBondContact CG-O 3.46Å; N600-Q602 PolarHBondContact O-N 3.02Å; N600-Q602 PolarHBondContact OD1-N 3.44Å; N600-Y603 PolarHBondContact OD1-N 3Å; N600-I605 HydrophobicContact CB-CD1 4.14Å; N600-I605 HydrophobicContact CB-CG1 3.43Å; N600-I605 VanDerWaalsContact CB-CG1 3.43Å; N600-I605 WeakPolarHBondContact CB-O 3.48Å; N600-I605 PolarHBondContact N-O 3.47Å
601	P	92.8	Very high	95.2	Very high	72 Å²	72	33.2 Å²	33.2	47%	0.468	17%	0.172	S	C	.	.	S	Bend	trans	-62.6	-24.4	-176.4	-25.2	34.1	0	0	0	115.3	W301	W301-P601 HydrophobicContact CB-CG 4.17Å
602	Q	92.6	Very high	95.7	Very high	133 Å²	133	29.4 Å²	29.4	62%	0.621	15%	0.149	S	C	*	.	S	Bend	trans	-119.3	-45.8	-170.9	-176.5	178.1	-4.6	0	0	113	S306 N600	S306-Q602 PolarHBondContact OG-OE1 2.58Å; N600-Q602 PolarHBondContact O-N 3.02Å; N600-Q602 PolarHBondContact OD1-N 3.44Å
603	Y	94.1	Very high	95.8	Very high	67 Å²	67	29.2 Å²	29.2	26%	0.263	15%	0.148	S	C	.	.	S	Bend	trans	-94.4	151.1	-177.1	-57.6	-65.6	0	0	0	110.9	F263 S306 N600 I605	F263-Y603 HydrophobicContact CE2-CD1 4.45Å; F263-Y603 HydrophobicContact CE2-CD2 4.24Å; F263-Y603 AromaticContact CE2-CG 3.94Å; F263-Y603 HydrophobicContact CE2-CG 3.94Å; F263-Y603 AromaticContact CZ-CD1 3.85Å; F263-Y603 HydrophobicContact CZ-CD1 3.85Å; F263-Y603 AromaticContact CZ-CD2 3.62Å; F263-Y603 HydrophobicContact CZ-CD2 3.62Å; F263-Y603 HydrophobicContact CZ-CE1 4.21Å; F263-Y603 AromaticContact CZ-CE2 3.97Å; F263-Y603 HydrophobicContact CZ-CE2 3.97Å; F263-Y603 AromaticContact CZ-CG 3.54Å; F263-Y603 HydrophobicContact CZ-CG 3.54Å; S306-Y603 WeakPolarHBondContact OG-CE2 3.33Å; N600-Y603 PolarHBondContact OD1-N 3Å; Y603-I605 PolarHBondContact O-N 2.85Å
604	S	93.8	Very high	95.8	Very high	39 Å²	39	26.1 Å²	26.1	27%	0.273	14%	0.135	S	C	.	.	S	Bend	trans	-78.2	51.4	179.5	-51.9	0	0	0	0	112.8	L620	S604-L620 PolarHBondContact O-N 3.1Å
605	I	96.8	Very high	95.8	Very high	3 Å²	3	26 Å²	26	2%	0.015	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	155.1	176.2	67.1	170.4	0	0	0	110.6	F263 L283 W301 L331 N600 Y603 L618 K619	F263-I605 HydrophobicContact CD2-CG2 3.71Å; F263-I605 HydrophobicContact CE2-CD1 3.93Å; F263-I605 HydrophobicContact CE2-CG1 4.43Å; F263-I605 HydrophobicContact CE2-CG2 3.72Å; L283-I605 HydrophobicContact CD1-CG2 3.84Å; W301-I605 HydrophobicContact CH2-CD1 3.97Å; W301-I605 HydrophobicContact CZ2-CD1 4.17Å; L331-I605 HydrophobicContact CD1-CD1 4.05Å; N600-I605 HydrophobicContact CB-CD1 4.14Å; N600-I605 HydrophobicContact CB-CG1 3.43Å; N600-I605 VanDerWaalsContact CB-CG1 3.43Å; N600-I605 WeakPolarHBondContact CB-O 3.48Å; N600-I605 PolarHBondContact N-O 3.47Å; Y603-I605 PolarHBondContact O-N 2.85Å; I605-L618 CarbonylContact C-O 3.59Å; I605-L618 WeakPolarHBondContact CA-O 3.19Å; I605-L618 WeakPolarHBondContact CB-O 3.17Å; I605-K619 HydrophobicContact CG2-CB 4.26Å
606	I	97.6	Very high	95.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	147.1	170	59.7	177.5	0	0	0	108.4	L280 V568 I597 A598 F599 S617 L618 L620	L280-I606 HydrophobicContact CD1-CD1 4.28Å; L280-I606 HydrophobicContact CD2-CD1 4.12Å; V568-I606 HydrophobicContact CG1-CD1 3.99Å; I597-I606 HydrophobicContact CD1-CD1 4.12Å; A598-I606 WeakPolarHBondContact O-CA 3.48Å; F599-I606 HydrophobicContact CB-CG2 4.48Å; F599-I606 HydrophobicContact CD1-CG2 3.34Å; F599-I606 HydrophobicContact CD2-CG2 4.23Å; F599-I606 HydrophobicContact CE1-CG2 3.45Å; F599-I606 VanDerWaalsContact CE1-CG2 3.45Å; F599-I606 HydrophobicContact CE2-CG2 4.3Å; F599-I606 HydrophobicContact CG-CG2 3.76Å; F599-I606 HydrophobicContact CZ-CG2 3.95Å; I606-S617 CarbonylContact O-C 3.57Å; I606-S617 WeakPolarHBondContact O-CA 3.47Å; I606-L618 HydrophobicContact CD1-CB 4.31Å; I606-L618 HydrophobicContact CD1-CD1 4.07Å; I606-L618 HydrophobicContact CG1-CB 3.78Å; I606-L618 HydrophobicContact CG1-CD1 4.22Å; I606-L618 HydrophobicContact CG1-CG 4.4Å; I606-L618 PolarHBondContact N-O 3.11Å; I606-L618 PolarHBondContact O-N 2.83Å; I606-L620 HydrophobicContact CD1-CD2 4.41Å; I606-L620 HydrophobicContact CG2-CD1 4.3Å; I606-L620 HydrophobicContact CG2-CD2 4.35Å; I606-L620 HydrophobicContact CG2-CG 4.44Å
607	I	98	Very high	95.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	142.1	167.9	51.8	171.4	0	0	0	109.3	L299 W301 F309 I597 A598 V615 N616	L299-I607 HydrophobicContact CB-CD1 4.25Å; L299-I607 HydrophobicContact CD1-CD1 4.24Å; L299-I607 HydrophobicContact CD1-CG1 4.2Å; L299-I607 HydrophobicContact CD2-CD1 4.23Å; L299-I607 HydrophobicContact CG-CD1 4.49Å; W301-I607 HydrophobicContact CD2-CD1 4.38Å; W301-I607 HydrophobicContact CH2-CG2 4.16Å; W301-I607 HydrophobicContact CZ2-CB 4.25Å; W301-I607 HydrophobicContact CZ2-CD1 3.77Å; W301-I607 HydrophobicContact CZ2-CG1 3.82Å; W301-I607 HydrophobicContact CZ2-CG2 3.53Å; F309-I607 HydrophobicContact CB-CD1 4.18Å; F309-I607 HydrophobicContact CD2-CD1 3.79Å; F309-I607 HydrophobicContact CE2-CD1 4.32Å; F309-I607 HydrophobicContact CG-CD1 3.97Å; I597-I607 WeakPolarHBondContact CA-O 3.3Å; A598-I607 HydrophobicContact CB-CD1 4.2Å; A598-I607 HydrophobicContact CB-CG1 3.87Å; A598-I607 PolarHBondContact N-O 2.79Å; A598-I607 WeakPolarHBondContact O-CG1 3.44Å; A598-I607 PolarHBondContact O-N 3.03Å; I607-V615 HydrophobicContact CB-CG1 3.94Å; I607-V615 HydrophobicContact CG2-CG1 4.32Å; I607-N616 WeakPolarHBondContact CA-O 3.49Å
608	V	97.9	Very high	95.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126.8	-177.2	176.9	0	0	0	0	108.8	V562 V568 L594 H596 I597 V615 N616 L618	V562-V608 HydrophobicContact CG1-CG1 3.87Å; V562-V608 HydrophobicContact CG1-CG2 4.25Å; V568-V608 HydrophobicContact CG2-CG1 4.46Å; V568-V608 HydrophobicContact CG2-CG2 3.94Å; L594-V608 HydrophobicContact CB-CG1 4.14Å; L594-V608 HydrophobicContact CD1-CG1 3.81Å; L594-V608 HydrophobicContact CD2-CG1 3.54Å; L594-V608 HydrophobicContact CG-CG1 3.99Å; H596-V608 WeakPolarHBondContact O-CA 3.49Å; I597-V608 HydrophobicContact CD1-CG2 4.23Å; I597-V608 HydrophobicContact CG1-CG2 4.13Å; V608-V615 CarbonylContact O-C 3.53Å; V608-V615 WeakPolarHBondContact O-CA 3.42Å; V608-N616 PolarHBondContact N-O 3.19Å; V608-N616 PolarHBondContact O-N 3.35Å; V608-L618 HydrophobicContact CG2-CD1 4Å
609	G	97.2	Very high	95.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	149.5	176.7	0	0	0	0	0	112.1	L594 T595 H596	L594-G609 WeakPolarHBondContact CA-O 3.23Å; T595-G609 PolarHBondContact N-O 3.29Å; T595-G609 PolarHBondContact OG1-O 3.35Å; H596-G609 PolarHBondContact O-N 3.16Å
610	D	95.3	Very high	95.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	171.1	174.7	75.1	16.3	0	0	0	113.7	V296 T592 K593 L594 H612 G613 Q614	V296-D610 WeakPolarHBondContact CB-O 3.36Å; V296-D610 WeakPolarHBondContact CG2-O 3.31Å; V296-D610 PolarHBondContact N-O 2.88Å; T592-D610 HydrophobicContact CG2-CB 3.76Å; K593-D610 CarbonylContact O-C 3.46Å; K593-D610 VanDerWaalsContact O-CA 3.28Å; K593-D610 WeakPolarHBondContact O-CA 3.48Å; L594-D610 HydrophobicContact CD2-CB 4.17Å; D610-H612 PolarHBondContact O-N 3.28Å; D610-H612 VanDerWaalsContact OD1-C 3.29Å; D610-H612 WeakPolarHBondContact OD1-CA 3.41Å; D610-H612 PolarHBondContact OD1-N 2.83Å; D610-G613 PolarHBondContact OD1-N 3.4Å; D610-Q614 PolarHBondContact N-O 2.91Å; D610-Q614 PolarHBondContact OD1-N 3.21Å; D610-Q614 WeakPolarHBondContact OD2-CB 3.4Å
611	D	94.5	Very high	95.6	Very high	38 Å²	38	24.3 Å²	24.3	20%	0.203	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	8.1	175.9	70.1	-15	0	0	0	114.5	A295 T592 K593 T595	A295-D611 HydrophobicContact CB-CB 4.27Å; T592-D611 WeakPolarHBondContact CA-OD1 3.14Å; T592-D611 WeakPolarHBondContact CG2-OD1 3.48Å; K593-D611 HydrophobicContact CB-CB 4.39Å; K593-D611 WeakPolarHBondContact CG-OD2 3.39Å; K593-D611 PolarHBondContact N-OD1 2.89Å; K593-D611 PolarHBondContact N-OD2 3.04Å; K593-D611 PolarHBondContact O-N 2.98Å; T595-D611 HydrophobicContact CG2-CB 4.15Å
612	H	93.2	Very high	95.6	Very high	68 Å²	68	22.3 Å²	22.3	32%	0.315	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	1	176.1	-71.1	-25	0	0	0	114	K293 I294 T592 D610	K293-H612 PolarHBondContact N-O 2.78Å; I294-H612 CarbonylContact O-C 3.24Å; T592-H612 VanDerWaalsContact CG2-CD2 3.49Å; T592-H612 WeakPolarHBondContact CG2-CD2 3.35Å; T592-H612 PolarHBondContact OG1-CD2 3.15Å; T592-H612 PolarHBondContact OG1-NE2 3.01Å; T592-H612 VanDerWaalsContact OG1-NE2 3.08Å; D610-H612 PolarHBondContact O-N 3.28Å; D610-H612 VanDerWaalsContact OD1-C 3.29Å; D610-H612 WeakPolarHBondContact OD1-CA 3.41Å; D610-H612 PolarHBondContact OD1-N 2.83Å
613	G	93	Very high	95.5	Very high	2 Å²	2	16 Å²	16	2%	0.021	8%	0.083	C	C	.	.	S	Bend	trans	90.5	15.5	174.8	0	0	0	0	0	114.1	I294 Y313 D610	I294-G613 WeakPolarHBondContact O-CA 3.39Å; I294-G613 PolarHBondContact O-N 2.75Å; Y313-G613 WeakPolarHBondContact CE1-O 2.93Å; D610-G613 PolarHBondContact OD1-N 3.4Å
614	Q	94.2	Very high	95.4	Very high	46 Å²	46	12.9 Å²	12.9	22%	0.215	7%	0.07	C	C	.	.			trans	-97	141.8	173.5	-42.8	-160.8	-72.2	0	0	110.2	D610	D610-Q614 PolarHBondContact N-O 2.91Å; D610-Q614 PolarHBondContact OD1-N 3.21Å; D610-Q614 WeakPolarHBondContact OD2-CB 3.4Å
615	V	97.1	Very high	95.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.3	169.7	-179.9	0	0	0	0	108	F286 V296 L299 F309 V311 I607 V608	F286-V615 HydrophobicContact CB-CB 4.27Å; F286-V615 WeakPolarHBondContact CD2-O 3.18Å; F286-V615 PolarHBondContact N-O 3.23Å; F286-V615 PolarHBondContact O-N 3.32Å; V296-V615 HydrophobicContact CG1-CG2 4.38Å; V296-V615 HydrophobicContact CG2-CG2 3.85Å; L299-V615 HydrophobicContact CD2-CG1 4.26Å; L299-V615 HydrophobicContact CD2-CG2 3.99Å; F309-V615 HydrophobicContact CE2-CG1 4.14Å; V311-V615 HydrophobicContact CG1-CG2 3.92Å; V311-V615 HydrophobicContact CG2-CG2 4.05Å; I607-V615 HydrophobicContact CB-CG1 3.94Å; I607-V615 HydrophobicContact CG2-CG1 4.32Å; V608-V615 CarbonylContact O-C 3.53Å; V608-V615 WeakPolarHBondContact O-CA 3.42Å
616	N	96.4	Very high	94.2	Very high	23 Å²	23	16.8 Å²	16.8	12%	0.123	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129	179.1	-62.5	-59	0	0	0	109.8	S285 I586 I607 V608	S285-N616 WeakPolarHBondContact CB-OD1 3.07Å; S285-N616 PolarHBondContact OG-OD1 2.97Å; I586-N616 HydrophobicContact CG2-CB 4.4Å; I607-N616 WeakPolarHBondContact CA-O 3.49Å; V608-N616 PolarHBondContact N-O 3.19Å; V608-N616 PolarHBondContact O-N 3.35Å
617	S	97.1	Very high	92.8	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.007	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	132.6	171	175.8	0	0	0	0	109.5	L283 W284 I606	L283-S617 PolarHBondContact N-O 3.4Å; W284-S617 PolarHBondContact O-N 2.98Å; I606-S617 CarbonylContact O-C 3.57Å; I606-S617 WeakPolarHBondContact O-CA 3.47Å
618	L	97.4	Very high	90.9	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	134.1	-178.6	-47.6	169.8	0	0	0	109.1	L280 L281 P282 V568 I586 I605 I606 V608	L280-L618 HydrophobicContact CB-CB 4.32Å; L280-L618 HydrophobicContact CD1-CD1 4.1Å; L281-L618 CarbonylContact O-C 3.5Å; L281-L618 WeakPolarHBondContact O-CA 3.11Å; P282-L618 HydrophobicContact CB-CD2 4.14Å; P282-L618 HydrophobicContact CG-CD2 4.41Å; V568-L618 HydrophobicContact CG2-CD1 4.13Å; I586-L618 HydrophobicContact CD1-CD1 3.63Å; I586-L618 HydrophobicContact CD1-CD2 4.01Å; I586-L618 HydrophobicContact CD1-CG 4.48Å; I586-L618 HydrophobicContact CG1-CD1 3.77Å; I586-L618 HydrophobicContact CG2-CD1 4.24Å; I586-L618 HydrophobicContact CG2-CD2 4.01Å; I605-L618 CarbonylContact C-O 3.59Å; I605-L618 WeakPolarHBondContact CA-O 3.19Å; I605-L618 WeakPolarHBondContact CB-O 3.17Å; I606-L618 HydrophobicContact CD1-CB 4.31Å; I606-L618 HydrophobicContact CD1-CD1 4.07Å; I606-L618 HydrophobicContact CG1-CB 3.78Å; I606-L618 HydrophobicContact CG1-CD1 4.22Å; I606-L618 HydrophobicContact CG1-CG 4.4Å; I606-L618 PolarHBondContact N-O 3.11Å; I606-L618 PolarHBondContact O-N 2.83Å; V608-L618 HydrophobicContact CG2-CD1 4Å
619	K	97.1	Very high	89	Confident	10 Å²	10	34.9 Å²	34.9	4%	0.043	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	130.3	172.7	179.6	165.7	178.2	170.1	0	109.8	D262 F263 Y266 L280 L281 L283 I605	D262-K619 WeakPolarHBondContact O-CD 3.48Å; D262-K619 PolarHBondContact O-NZ 3.43Å; F263-K619 PolarHBondContact O-NZ 3.41Å; Y266-K619 WeakPolarHBondContact O-CE 3.28Å; Y266-K619 PolarHBondContact O-NZ 2.77Å; L280-K619 WeakPolarHBondContact CA-O 3.23Å; L281-K619 HydrophobicContact CB-CB 4.24Å; L281-K619 PolarHBondContact N-O 2.79Å; L281-K619 PolarHBondContact O-N 3.48Å; L283-K619 HydrophobicContact CD1-CB 3.85Å; L283-K619 HydrophobicContact CD2-CB 4.34Å; L283-K619 HydrophobicContact CG-CB 4.05Å; I605-K619 HydrophobicContact CG2-CB 4.26Å
620	L	96.4	Very high	87.1	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	144.1	174.7	-62.2	162	0	0	0	108.5	L280 Y554 V570 F599 S604 I606 L624 R625	L280-L620 HydrophobicContact CD2-CD2 3.59Å; Y554-L620 HydrophobicContact CE1-CD1 4.04Å; Y554-L620 WeakPolarHBondContact OH-CD1 3.45Å; V570-L620 HydrophobicContact CG2-CD2 4.44Å; F599-L620 HydrophobicContact CD1-CD1 4.3Å; F599-L620 HydrophobicContact CE1-CD1 3.92Å; S604-L620 PolarHBondContact O-N 3.1Å; I606-L620 HydrophobicContact CD1-CD2 4.41Å; I606-L620 HydrophobicContact CG2-CD1 4.3Å; I606-L620 HydrophobicContact CG2-CD2 4.35Å; I606-L620 HydrophobicContact CG2-CG 4.44Å; L620-L624 HydrophobicContact CB-CB 4.23Å; L620-L624 HydrophobicContact CD2-CB 4.23Å; L620-L624 HydrophobicContact CD2-CD1 3.92Å; L620-R625 PolarHBondContact O-NH1 3.19Å
621	S	95	Very high	85.2	Confident	5 Å²	5	49.9 Å²	49.9	4%	0.035	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-76.9	163	169.3	78.4	0	0	0	0	111	D271 G278 T279 N623 L624	D271-S621 PolarHBondContact OD1-OG 3.35Å; D271-S621 WeakPolarHBondContact OD2-CB 3.01Å; D271-S621 PolarHBondContact OD2-OG 3.26Å; G278-S621 WeakPolarHBondContact CA-OG 3.5Å; T279-S621 PolarHBondContact N-OG 2.95Å; T279-S621 VanDerWaalsContact O-CB 3.24Å; T279-S621 WeakPolarHBondContact O-CB 3.37Å; T279-S621 PolarHBondContact O-N 3.07Å; T279-S621 PolarHBondContact O-OG 3.15Å; T279-S621 WeakPolarHBondContact OG1-CB 3.19Å; S621-N623 PolarHBondContact O-N 2.87Å; S621-L624 PolarHBondContact O-N 2.81Å; S621-L624 VanDerWaalsContact O-N 3.1Å
622	P	92.4	Very high	82.9	Confident	30 Å²	30	58.7 Å²	58.7	20%	0.195	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-50.5	-40	178.6	-26.5	31.8	0	0	0	114	E267 D271 L624 R625 K626	E267-P622 HydrophobicContact CB-CG 4.3Å; E267-P622 WeakPolarHBondContact OE2-CG 3.48Å; D271-P622 HydrophobicContact CB-CG 4.48Å; D271-P622 VanDerWaalsContact OD2-CD 3.28Å; D271-P622 WeakPolarHBondContact OD2-CD 3.31Å; P622-L624 PolarHBondContact O-N 3.2Å; P622-R625 CarbonylContact O-C 3.49Å; P622-R625 WeakPolarHBondContact O-CG 3.21Å; P622-R625 PolarHBondContact O-N 2.92Å; P622-R625 VanDerWaalsContact O-N 3.1Å; P622-K626 WeakPolarHBondContact O-CG 3.44Å; P622-K626 PolarHBondContact O-N 3.1Å
623	N	91.2	Very high	81.4	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.011	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-59.6	-32.7	-179.4	-74.5	-13.1	0	0	0	113.3	D271 R274 Q277 S621 R625 K626	D271-N623 HydrophobicContact CB-CB 4.45Å; D271-N623 WeakPolarHBondContact CB-ND2 3.47Å; D271-N623 VanDerWaalsContact CG-CG 3.49Å; D271-N623 PolarHBondContact O-ND2 2.56Å; D271-N623 PolarHBondContact O-OD1 2.99Å; D271-N623 WeakPolarHBondContact OD2-CB 3.42Å; D271-N623 PolarHBondContact OD2-N 2.8Å; R274-N623 PolarHBondContact O-ND2 3.38Å; Q277-N623 PolarHBondContact O-ND2 3.01Å; S621-N623 PolarHBondContact O-N 2.87Å; N623-R625 VanDerWaalsContact C-N 3.28Å; N623-R625 PolarHBondContact O-N 2.7Å; N623-K626 WeakPolarHBondContact OD1-CE 3.44Å; N623-K626 PolarHBondContact OD1-NZ 3.03Å
624	L	92.4	Very high	79.6	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.005	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-81.6	-6.6	-179	-55.1	-179.6	0	0	0	113.7	T279 L280 Y554 V570 L581 C582 L620 S621 P622	T279-L624 WeakPolarHBondContact O-CD1 3.13Å; L280-L624 HydrophobicContact CD2-CD1 3.81Å; Y554-L624 PolarHBondContact OH-O 2.63Å; V570-L624 HydrophobicContact CB-CD1 4.3Å; V570-L624 HydrophobicContact CB-CD2 4.24Å; V570-L624 HydrophobicContact CG1-CB 4.35Å; V570-L624 HydrophobicContact CG1-CD1 4.29Å; V570-L624 HydrophobicContact CG1-CD2 4.04Å; V570-L624 HydrophobicContact CG1-CG 4.45Å; V570-L624 HydrophobicContact CG2-CD1 4.27Å; L581-L624 HydrophobicContact CB-CD2 3.65Å; L581-L624 HydrophobicContact CD1-CD2 4.35Å; C582-L624 HydrophobicContact CB-CD1 3.87Å; C582-L624 HydrophobicContact CB-CD2 3.91Å; L620-L624 HydrophobicContact CB-CB 4.23Å; L620-L624 HydrophobicContact CD2-CB 4.23Å; L620-L624 HydrophobicContact CD2-CD1 3.92Å; S621-L624 PolarHBondContact O-N 2.81Å; S621-L624 VanDerWaalsContact O-N 3.1Å; P622-L624 PolarHBondContact O-N 3.2Å
625	R	89.2	Confident	77.7	Confident	40 Å²	40	70 Å²	70	15%	0.151	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-129.6	14.8	178.5	63.1	161	164.7	-81.5	1.8	113.1	E267 Y554 L620 P622 N623 L627	E267-R625 IonicContact OE1-CZ 2.73Å; E267-R625 IonicContact OE1-NH2 3.86Å; E267-R625 PolarHBondContact OE1-NH2 2.87Å; E267-R625 IonicContact OE2-CZ 3.88Å; E267-R625 IonicContact OE2-NE 3.13Å; E267-R625 IonicContact OE2-NH2 2.88Å; E267-R625 PolarHBondContact OE2-NH2 3.36Å; Y554-R625 HydrophobicContact CE2-CB 4.01Å; L620-R625 PolarHBondContact O-NH1 3.19Å; P622-R625 CarbonylContact O-C 3.49Å; P622-R625 WeakPolarHBondContact O-CG 3.21Å; P622-R625 PolarHBondContact O-N 2.92Å; P622-R625 VanDerWaalsContact O-N 3.1Å; N623-R625 VanDerWaalsContact C-N 3.28Å; N623-R625 PolarHBondContact O-N 2.7Å; R625-L627 PolarHBondContact O-N 3.04Å
626	K	75.7	Confident	75.6	Confident	83 Å²	83	74.4 Å²	74.4	36%	0.361	38%	0.384	S	S	.	.			trans	-58.7	112.1	-178.5	-94	175.5	175.2	167.6	0	109.6	P622 N623	P622-K626 WeakPolarHBondContact O-CG 3.44Å; P622-K626 PolarHBondContact O-N 3.1Å; N623-K626 WeakPolarHBondContact OD1-CE 3.44Å; N623-K626 PolarHBondContact OD1-NZ 3.03Å
627	L	68.6	Low	73.7	Confident	120 Å²	120	77.7 Å²	77.7	63%	0.628	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-72.4	148.5	167.1	-68.6	166.8	0	0	0	109.2	R625 K629	R625-L627 PolarHBondContact O-N 3.04Å; L627-K629 PolarHBondContact O-N 2.89Å; L627-K629 VanDerWaalsContact O-N 3.1Å
628	P	58.3	Low	72.2	Confident	70 Å²	70	86.2 Å²	86.2	46%	0.455	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-53.2	119.8	174.3	-23.5	32.7	0	0	0	110.4	E630	P628-E630 PolarHBondContact O-N 3.26Å
629	K	57.4	Low	70.9	Confident	190 Å²	190	88 Å²	88	83%	0.826	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-53	130.9	-178.6	-72.8	-176.1	177.2	-179.7	0	110.5	L627 K631	L627-K629 PolarHBondContact O-N 2.89Å; L627-K629 VanDerWaalsContact O-N 3.1Å; K629-K631 PolarHBondContact O-N 3.34Å; K629-K631 VanDerWaalsContact O-N 3.17Å
630	E	57.2	Low	70.2	Confident	145 Å²	145	91.3 Å²	91.3	68%	0.678	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-57.8	118.1	174.3	-65.3	-177.5	171.7	0	0	109.7	P628 K632	P628-E630 PolarHBondContact O-N 3.26Å; E630-K632 PolarHBondContact O-N 2.9Å
631	K	55.3	Low	69.8	Low	171 Å²	171	96.6 Å²	96.6	74%	0.743	51%	0.507	S	S	*	.			trans	-73	115.7	167.1	-74.1	-174.3	178.2	-178.7	0	107.3	K629 G633 A634	K629-K631 PolarHBondContact O-N 3.34Å; K629-K631 VanDerWaalsContact O-N 3.17Å; K631-G633 PolarHBondContact O-N 3.38Å; K631-A634 PolarHBondContact O-N 2.93Å
632	K	47.2	Very low	69.5	Low	222 Å²	222	99.2 Å²	99.2	97%	0.965	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	116.3	175	-75.2	-175.5	175.2	-179.1	0	109.9	E630	E630-K632 PolarHBondContact O-N 2.9Å
633	G	60.1	Low	69.4	Low	89 Å²	89	98.6 Å²	98.6	92%	0.918	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.2	-1.4	173	0	0	0	0	0	117.1	K631	K631-G633 PolarHBondContact O-N 3.38Å
634	A	56.6	Low	69.4	Low	66 Å²	66	100.4 Å²	100.4	55%	0.545	53%	0.527	S	S	.	.			trans	-107	123.7	170.8	0	0	0	0	0	110.3	K631 Q636	K631-A634 PolarHBondContact O-N 2.93Å; A634-Q636 PolarHBondContact O-N 3.48Å
635	E	53	Low	69.4	Low	198 Å²	198	106.3 Å²	106.3	93%	0.925	55%	0.552	S	S	*	*			trans	-60.5	105.2	163.6	-84.5	-176.2	155.7	0	0	107.8	V637	E635-V637 PolarHBondContact O-N 3.25Å
636	Q	54.7	Low	69.4	Low	93 Å²	93	106 Å²	106	44%	0.435	55%	0.552	S	S	.	*			trans	-72.1	120.9	173.4	-78.3	-172.2	-9.3	0	0	108.3	A634 K638	A634-Q636 PolarHBondContact O-N 3.48Å; Q636-K638 PolarHBondContact O-N 3.05Å
637	V	56.6	Low	70.2	Confident	92 Å²	92	102 Å²	102	56%	0.558	54%	0.535	S	S	*	.			trans	-57.2	104.3	164.2	-179.1	0	0	0	0	106.6	E635 V642	E635-V637 PolarHBondContact O-N 3.25Å; V637-V642 HydrophobicContact CB-CG2 4.2Å; V637-V642 WeakPolarHBondContact O-CG2 3.49Å
638	K	64.2	Low	71.3	Confident	181 Å²	181	100.9 Å²	100.9	79%	0.787	53%	0.526	S	S	*	.			trans	-80.3	128.1	171.8	-69.9	-176.8	179	-179.2	0	107.3	Q636	Q636-K638 PolarHBondContact O-N 3.05Å
639	G	70.8	Confident	72.9	Confident	37 Å²	37	104.6 Å²	104.6	38%	0.381	54%	0.535	S	S	.	.	S	Bend	trans	157.9	169.9	176.8	0	0	0	0	0	113.6	E641 V642	G639-E641 PolarHBondContact O-N 2.86Å; G639-V642 PolarHBondContact O-N 3.3Å
640	P	82.3	Confident	74.5	Confident	80 Å²	80	96 Å²	96	52%	0.519	50%	0.498	S	S	.	.	H	α-helix	trans	-59.1	-27.5	179.1	25.2	-34.4	0	0	0	112.5	F512 V642 E643 I644	F512-P640 HydrophobicContact CD1-CB 4.36Å; P640-V642 VanDerWaalsContact C-N 3.25Å; P640-V642 PolarHBondContact O-N 3.23Å; P640-E643 PolarHBondContact O-N 2.98Å; P640-E643 VanDerWaalsContact O-N 3.15Å; P640-I644 WeakPolarHBondContact O-CG1 3.28Å; P640-I644 PolarHBondContact O-N 3.29Å
641	E	87.2	Confident	76	Confident	114 Å²	114	89.8 Å²	89.8	53%	0.533	47%	0.469	S	S	.	.	H	α-helix	trans	-58.7	-32.2	178.3	-62.7	-177.9	-173.5	0	0	113.9	G639 K645	G639-E641 PolarHBondContact O-N 2.86Å; E641-K645 WeakPolarHBondContact O-CG 3.46Å; E641-K645 PolarHBondContact O-N 2.63Å
642	V	88.5	Confident	77.5	Confident	60 Å²	60	85.4 Å²	85.4	36%	0.364	46%	0.461	S	S	.	.	H	α-helix	trans	-70.7	-40.6	177.8	171.1	0	0	0	0	111.1	V637 G639 P640 K645 K646	V637-V642 HydrophobicContact CB-CG2 4.2Å; V637-V642 WeakPolarHBondContact O-CG2 3.49Å; G639-V642 PolarHBondContact O-N 3.3Å; P640-V642 VanDerWaalsContact C-N 3.25Å; P640-V642 PolarHBondContact O-N 3.23Å; V642-K645 PolarHBondContact O-N 3.44Å; V642-K646 VanDerWaalsContact O-CB 3.3Å; V642-K646 WeakPolarHBondContact O-CB 3.48Å; V642-K646 PolarHBondContact O-N 2.77Å
643	E	90.7	Very high	79.3	Confident	17 Å²	17	80.2 Å²	80.2	8%	0.079	44%	0.443	C	S	.	.	H	α-helix	trans	-67.3	-38.2	175.9	-72.3	-59.7	128	0	0	111.1	F512 S555 S556 P640 K646 L647	F512-E643 HydrophobicContact CB-CB 4.08Å; F512-E643 HydrophobicContact CD1-CB 3.92Å; F512-E643 HydrophobicContact CD1-CG 4.2Å; F512-E643 HydrophobicContact CD2-CB 4.45Å; F512-E643 HydrophobicContact CE1-CB 4.47Å; F512-E643 HydrophobicContact CE1-CG 4.26Å; F512-E643 HydrophobicContact CG-CB 3.9Å; F512-E643 HydrophobicContact CG-CG 4.45Å; S555-E643 VanDerWaalsContact CA-OE2 3.31Å; S555-E643 WeakPolarHBondContact CA-OE2 3.38Å; S555-E643 PolarHBondContact OG-OE2 3.25Å; S556-E643 PolarHBondContact N-OE2 2.87Å; S556-E643 PolarHBondContact OG-O 3.23Å; S556-E643 PolarHBondContact OG-OE2 2.87Å; P640-E643 PolarHBondContact O-N 2.98Å; P640-E643 VanDerWaalsContact O-N 3.15Å; E643-K646 WeakPolarHBondContact O-CB 3.39Å; E643-K646 PolarHBondContact O-N 2.99Å; E643-L647 PolarHBondContact O-N 3.21Å
644	I	91.8	Very high	79.9	Confident	40 Å²	40	78.1 Å²	78.1	21%	0.205	42%	0.416	C	S	.	.	H	α-helix	trans	-57.7	-54	171.8	-66.2	169	0	0	0	110.4	P640 K646 L647 E648	P640-I644 WeakPolarHBondContact O-CG1 3.28Å; P640-I644 PolarHBondContact O-N 3.29Å; I644-K646 VanDerWaalsContact C-N 3.27Å; I644-K646 PolarHBondContact O-N 3.13Å; I644-L647 PolarHBondContact O-N 2.98Å; I644-L647 VanDerWaalsContact O-N 3.16Å; I644-E648 HydrophobicContact CG2-CG 4.26Å; I644-E648 WeakPolarHBondContact O-CG 3.29Å; I644-E648 PolarHBondContact O-N 3.15Å
645	K	91.4	Very high	80	Confident	125 Å²	125	79.3 Å²	79.3	54%	0.543	44%	0.435	S	S	.	.	H	α-helix	trans	-60.6	-35.3	178.4	-72.7	174.1	-175.7	170.5	0	113	E641 V642 K649	E641-K645 WeakPolarHBondContact O-CG 3.46Å; E641-K645 PolarHBondContact O-N 2.63Å; V642-K645 PolarHBondContact O-N 3.44Å; K645-K649 WeakPolarHBondContact O-CB 3.42Å; K645-K649 PolarHBondContact O-N 3.19Å
646	K	90.6	Very high	81.4	Confident	33 Å²	33	73.4 Å²	73.4	14%	0.143	41%	0.411	C	S	.	.	H	α-helix	trans	-60.7	-48	176.8	-173.6	-170	-179	-163.9	0	110	S555 T557 S574 V642 E643 I644 I650	S555-K646 PolarHBondContact OG-NZ 2.81Å; T557-K646 HydrophobicContact CG2-CD 3.8Å; T557-K646 HydrophobicContact CG2-CG 3.92Å; T557-K646 WeakPolarHBondContact OG1-CE 3.36Å; T557-K646 PolarHBondContact OG1-NZ 3.04Å; S574-K646 VanDerWaalsContact CB-CE 3.41Å; S574-K646 VanDerWaalsContact OG-CE 3.29Å; S574-K646 WeakPolarHBondContact OG-CE 3.44Å; S574-K646 PolarHBondContact OG-NZ 3.36Å; V642-K646 VanDerWaalsContact O-CB 3.3Å; V642-K646 WeakPolarHBondContact O-CB 3.48Å; V642-K646 PolarHBondContact O-N 2.77Å; E643-K646 WeakPolarHBondContact O-CB 3.39Å; E643-K646 PolarHBondContact O-N 2.99Å; I644-K646 VanDerWaalsContact C-N 3.27Å; I644-K646 PolarHBondContact O-N 3.13Å; K646-I650 WeakPolarHBondContact O-CD1 3.43Å; K646-I650 WeakPolarHBondContact O-CG1 3.44Å; K646-I650 PolarHBondContact O-N 3.34Å
647	L	91.9	Very high	82.8	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-71.3	-44.4	179	-171.8	62.3	0	0	0	112	H513 I516 T557 L573 E643 I644 K649 I650 L651	H513-L647 HydrophobicContact CB-CD2 3.69Å; I516-L647 HydrophobicContact CB-CD2 4.16Å; I516-L647 HydrophobicContact CG1-CD2 3.93Å; I516-L647 HydrophobicContact CG2-CD2 4.16Å; T557-L647 HydrophobicContact CG2-CB 4.49Å; T557-L647 HydrophobicContact CG2-CD1 4.14Å; L573-L647 HydrophobicContact CD1-CD1 4.27Å; E643-L647 PolarHBondContact O-N 3.21Å; I644-L647 PolarHBondContact O-N 2.98Å; I644-L647 VanDerWaalsContact O-N 3.16Å; L647-K649 VanDerWaalsContact C-N 3.26Å; L647-K649 PolarHBondContact O-N 2.62Å; L647-I650 WeakPolarHBondContact O-CA 3.43Å; L647-I650 WeakPolarHBondContact O-CB 2.91Å; L647-I650 PolarHBondContact O-N 3.43Å; L647-L651 HydrophobicContact CD1-CG 4.43Å; L647-L651 HydrophobicContact CD2-CD1 4.42Å; L647-L651 HydrophobicContact CG-CD1 3.85Å; L647-L651 HydrophobicContact CG-CG 4.2Å; L647-L651 VanDerWaalsContact O-CG 3.28Å; L647-L651 WeakPolarHBondContact O-CG 3.48Å; L647-L651 PolarHBondContact O-N 3.08Å
648	E	92.4	Very high	84.2	Confident	95 Å²	95	71.2 Å²	71.2	44%	0.444	40%	0.401	S	S	.	.	H	α-helix	trans	-54.2	-41.1	175.5	-75.5	176.4	167.8	0	0	112.4	H513 I644 I650 L651 S652	H513-E648 IonicContact NE2-OE1 2.79Å; I644-E648 HydrophobicContact CG2-CG 4.26Å; I644-E648 WeakPolarHBondContact O-CG 3.29Å; I644-E648 PolarHBondContact O-N 3.15Å; E648-I650 VanDerWaalsContact C-N 3.28Å; E648-I650 PolarHBondContact O-N 3.29Å; E648-L651 PolarHBondContact O-N 3.45Å; E648-S652 WeakPolarHBondContact O-CB 3.3Å; E648-S652 PolarHBondContact O-N 3.11Å; E648-S652 PolarHBondContact O-OG 2.9Å
649	K	91.3	Very high	85.4	Confident	148 Å²	148	64.8 Å²	64.8	64%	0.643	38%	0.378	S	S	*	.	H	α-helix	trans	-63.2	-33.1	175.9	-177.1	179.3	176.6	-174.5	0	112.7	K645 L647 S652 L653	K645-K649 WeakPolarHBondContact O-CB 3.42Å; K645-K649 PolarHBondContact O-N 3.19Å; L647-K649 VanDerWaalsContact C-N 3.26Å; L647-K649 PolarHBondContact O-N 2.62Å; K649-S652 PolarHBondContact O-OG 3.17Å; K649-S652 VanDerWaalsContact O-OG 3.11Å; K649-L653 WeakPolarHBondContact O-CD1 3.37Å; K649-L653 WeakPolarHBondContact O-CG 3.34Å
650	I	90.8	Very high	86.3	Confident	11 Å²	11	66.5 Å²	66.5	6%	0.056	38%	0.378	C	S	.	.	H	α-helix	trans	-77.3	-41.6	178	-67.4	160.1	0	0	0	109.9	F538 T557 L573 K646 L647 E648 L653 A654	F538-I650 HydrophobicContact CE2-CG2 4.1Å; F538-I650 HydrophobicContact CZ-CG2 3.76Å; T557-I650 HydrophobicContact CG2-CD1 3.41Å; T557-I650 VanDerWaalsContact CG2-CD1 3.41Å; L573-I650 HydrophobicContact CB-CD1 4.17Å; L573-I650 HydrophobicContact CB-CG2 4.15Å; K646-I650 WeakPolarHBondContact O-CD1 3.43Å; K646-I650 WeakPolarHBondContact O-CG1 3.44Å; K646-I650 PolarHBondContact O-N 3.34Å; L647-I650 WeakPolarHBondContact O-CA 3.43Å; L647-I650 WeakPolarHBondContact O-CB 2.91Å; L647-I650 PolarHBondContact O-N 3.43Å; E648-I650 VanDerWaalsContact C-N 3.28Å; E648-I650 PolarHBondContact O-N 3.29Å; I650-L653 WeakPolarHBondContact O-CB 3.42Å; I650-L653 PolarHBondContact O-N 2.96Å; I650-A654 PolarHBondContact O-N 3.31Å
651	L	88.9	Confident	86.6	Confident	13 Å²	13	65.6 Å²	65.6	7%	0.068	37%	0.369	C	S	.	.	H	α-helix	trans	-64.3	-38.4	178.5	-67.4	168.9	0	0	0	112.1	I516 M537 F538 L647 E648 L653 A654 G655	I516-L651 HydrophobicContact CD1-CD1 3.46Å; I516-L651 VanDerWaalsContact CD1-CD1 3.46Å; I516-L651 HydrophobicContact CD1-CD2 4.15Å; I516-L651 HydrophobicContact CD1-CG 4.47Å; I516-L651 HydrophobicContact CG1-CD1 3.76Å; M537-L651 HydrophobicContact CB-CD2 4.09Å; M537-L651 HydrophobicContact CE-CB 3.94Å; M537-L651 HydrophobicContact CE-CD2 3.81Å; M537-L651 HydrophobicContact CE-CG 4.49Å; M537-L651 WeakPolarHBondContact CE-O 3.42Å; M537-L651 HydrophobicContact CG-CD2 4.05Å; F538-L651 HydrophobicContact CE2-CD2 4.18Å; L647-L651 HydrophobicContact CD1-CG 4.43Å; L647-L651 HydrophobicContact CD2-CD1 4.42Å; L647-L651 HydrophobicContact CG-CD1 3.85Å; L647-L651 HydrophobicContact CG-CG 4.2Å; L647-L651 VanDerWaalsContact O-CG 3.28Å; L647-L651 WeakPolarHBondContact O-CG 3.48Å; L647-L651 PolarHBondContact O-N 3.08Å; E648-L651 PolarHBondContact O-N 3.45Å; L651-L653 PolarHBondContact O-N 3.18Å; L651-A654 PolarHBondContact O-N 3.33Å; L651-A654 VanDerWaalsContact O-N 3.08Å; L651-G655 PolarHBondContact O-N 3.07Å
652	S	87.5	Confident	86.5	Confident	80 Å²	80	62.1 Å²	62.1	56%	0.559	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.6	176	65.3	0	0	0	0	114.3	E648 K649	E648-S652 WeakPolarHBondContact O-CB 3.3Å; E648-S652 PolarHBondContact O-N 3.11Å; E648-S652 PolarHBondContact O-OG 2.9Å; K649-S652 PolarHBondContact O-OG 3.17Å; K649-S652 VanDerWaalsContact O-OG 3.11Å
653	L	83.4	Confident	86.4	Confident	113 Å²	113	62.3 Å²	62.3	59%	0.592	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-11.3	172.4	-66.4	168.7	0	0	0	112.7	K577 K649 I650 L651	K577-L653 VanDerWaalsContact NZ-CB 3.31Å; K577-L653 VanDerWaalsContact NZ-CD1 3.35Å; K649-L653 WeakPolarHBondContact O-CD1 3.37Å; K649-L653 WeakPolarHBondContact O-CG 3.34Å; I650-L653 WeakPolarHBondContact O-CB 3.42Å; I650-L653 PolarHBondContact O-N 2.96Å; L651-L653 PolarHBondContact O-N 3.18Å
654	A	73.4	Confident	86	Confident	44 Å²	44	66.1 Å²	66.1	36%	0.364	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-27.8	-177.6	0	0	0	0	0	113	M537 F538 I650 L651	M537-A654 HydrophobicContact CE-CB 4.28Å; F538-A654 HydrophobicContact CE1-CB 3.75Å; F538-A654 HydrophobicContact CE2-CB 3.91Å; F538-A654 HydrophobicContact CZ-CB 3.36Å; I650-A654 PolarHBondContact O-N 3.31Å; L651-A654 PolarHBondContact O-N 3.33Å; L651-A654 VanDerWaalsContact O-N 3.08Å
655	G	58.9	Low	85.5	Confident	91 Å²	91	68.5 Å²	68.5	94%	0.938	40%	0.396	S	S	*	.			trans	-82.1	0	165.5	0	0	0	0	0	111.2	L651	L651-G655 PolarHBondContact O-N 3.07Å

Retrieved 655 of 655 residues in 1181.7 ms (Link to these results)

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