G4VNY2_SCHMA Loading...

Ubiquitin carboxyl-terminal hydrolase 39

AlphaFold DB , UniProt , Accession G4VNY2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 577 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	28.1	Very low	31	Very low	242 Å²	242	148.8 Å²	148.8	100%	1.192	84%	0.842	S	S	*	*				0	108.4	0	-79.9	178.3	160.3	0	0	108
2	S	31.6	Very low	31	Very low	119 Å²	119	145 Å²	145	83%	0.832	83%	0.832	S	S	*	*			trans	58.5	79.2	159.7	-37.4	0	0	0	0	119.5
3	S	27.5	Very low	30.8	Very low	116 Å²	116	143.5 Å²	143.5	81%	0.811	84%	0.835	S	S	*	*			trans	-79	123	154.6	54.2	0	0	0	0	110.4
4	L	33.3	Very low	31.2	Very low	162 Å²	162	142.9 Å²	142.9	85%	0.848	83%	0.834	S	S	*	*			trans	-113.5	100.6	164	-87.5	162	0	0	0	108
5	S	30.1	Very low	31.1	Very low	104 Å²	104	141.1 Å²	141.1	73%	0.727	83%	0.833	S	S	*	*			trans	-80.8	122.3	168.1	41.3	0	0	0	0	109.4
6	F	32.8	Very low	31.4	Very low	198 Å²	198	137.1 Å²	137.1	87%	0.868	83%	0.83	S	S	*	*			trans	-89	109.7	164.5	-90.8	-88.1	0	0	0	109.1
7	L	27.1	Very low	31.7	Very low	144 Å²	144	140.6 Å²	140.6	75%	0.754	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-77.3	135.1	165.4	-76.8	157.8	0	0	0	109.3
8	P	36.6	Very low	31.8	Very low	102 Å²	102	144.1 Å²	144.1	66%	0.662	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-84	133.6	160.8	28.4	-20.9	0	0	0	109.8
9	H	31.3	Very low	32	Very low	190 Å²	190	149.7 Å²	149.7	88%	0.88	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-55.8	130.3	179.3	-83.1	-74.3	0	0	0	113
10	S	29.5	Very low	32	Very low	116 Å²	116	152.3 Å²	152.3	81%	0.811	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-77.5	129.6	162.2	46.1	0	0	0	0	110
11	V	33.6	Very low	32.3	Very low	144 Å²	144	154.3 Å²	154.3	87%	0.873	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-86.8	116.8	165.1	-179.4	0	0	0	0	107.2
12	S	30.5	Very low	32.5	Very low	103 Å²	103	149.5 Å²	149.5	72%	0.72	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-70.6	130.2	176	41.9	0	0	0	0	111
13	S	28.4	Very low	32.7	Very low	125 Å²	125	152 Å²	152	87%	0.874	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-82.1	122.7	167	44.1	0	0	0	0	109.3
14	V	36.1	Very low	33	Very low	135 Å²	135	150.6 Å²	150.6	82%	0.818	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-89.7	125.3	171.7	177.2	0	0	0	0	108.4
15	S	30.5	Very low	32.9	Very low	117 Å²	117	151.5 Å²	151.5	82%	0.818	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-68.6	133.9	171.5	46	0	0	0	0	110.9
16	G	35.4	Very low	33.1	Very low	76 Å²	76	156.2 Å²	156.2	78%	0.784	82%	0.82	S	S	*	*			trans	-152.1	135.8	177.8	0	0	0	0	0	111.2
17	H	36.7	Very low	33	Very low	198 Å²	198	156.9 Å²	156.9	92%	0.917	82%	0.823	S	S	*	*			trans	-57.3	150	-156.9	-79.5	-51.5	0	0	0	120.3
18	K	33.6	Very low	33.3	Very low	203 Å²	203	155.6 Å²	155.6	88%	0.883	83%	0.826	S	S	*	*			trans	-46.6	135.5	160.1	-69.7	173	173.7	173.5	0	113.1
19	R	34.9	Very low	32.9	Very low	251 Å²	251	156.3 Å²	156.3	95%	0.947	83%	0.833	S	S	*	*			trans	-158.8	125.4	136.9	-107	171.1	-173.4	-169	1.4	110.8
20	K	31.9	Very low	33	Very low	200 Å²	200	157 Å²	157	87%	0.87	83%	0.834	S	S	*	*			trans	-71	141	173.2	-71.6	174.9	170.4	-179.4	0	109.9
21	H	38	Very low	33	Very low	196 Å²	196	162.7 Å²	162.7	91%	0.907	84%	0.837	S	S	*	*			trans	-162.5	141.3	133.2	-112.5	-78.6	0	0	0	112.1
22	E	33.1	Very low	33	Very low	140 Å²	140	163.7 Å²	163.7	65%	0.654	84%	0.836	S	S	*	*			trans	-74.6	158.9	-172.9	-98.8	173	110.7	0	0	116.1
23	K	35.1	Very low	32.9	Very low	172 Å²	172	167.6 Å²	167.6	75%	0.748	84%	0.84	S	S	*	*			trans	84.6	116.7	136.4	-80.2	166.2	174.8	152.2	0	121.5
24	A	33.9	Very low	33.1	Very low	86 Å²	86	173.3 Å²	173.3	71%	0.711	84%	0.842	S	S	*	*				96.4	115.7	118.8	0	0	0	0	0	121
25	H	32.4	Very low	32.9	Very low	181 Å²	181	172.1 Å²	172.1	84%	0.838	84%	0.84	S	S	*	*			trans	50.1	117.6	133	-81.5	-79.5	0	0	0	120.9
26	K	34.5	Very low	32.8	Very low	203 Å²	203	176.2 Å²	176.2	88%	0.883	85%	0.846	S	S	*	*				173.8	140.1	102.5	-102.8	171.8	177.7	174.6	0	112.5
27	K	29.9	Very low	32.7	Very low	212 Å²	212	181.6 Å²	181.6	92%	0.922	85%	0.851	S	S	*	*			trans	-64.5	145	170.1	-71.9	173.7	171.4	177.5	0	111.8
28	S	32.9	Very low	32.4	Very low	117 Å²	117	177.4 Å²	177.4	82%	0.818	84%	0.844	S	S	*	*			trans	-162.8	116.8	148.1	176	0	0	0	0	110.9
29	S	28.8	Very low	32.4	Very low	117 Å²	117	175.2 Å²	175.2	82%	0.818	84%	0.842	S	S	*	*			trans	-58.8	143.5	169.6	-63.3	0	0	0	0	112.7
30	K	33.9	Very low	32.3	Very low	206 Å²	206	171.6 Å²	171.6	90%	0.896	84%	0.836	S	S	*	*			trans	-148.1	122.7	148.7	-110.5	176.6	-175.1	178.2	0	110.5
31	R	27.9	Very low	32.3	Very low	235 Å²	235	171 Å²	171	89%	0.887	84%	0.836	S	S	*	*			trans	-82.8	127.9	-178.8	-167.8	-179.8	-169.9	-178.1	3	108.3
32	I	34.8	Very low	32	Very low	165 Å²	165	168 Å²	168	85%	0.846	82%	0.822	S	S	*	*			trans	-131.3	124.3	166.8	-63.8	-179.6	0	0	0	108.6
33	K	28.3	Very low	31.8	Very low	184 Å²	184	166.8 Å²	166.8	80%	0.8	82%	0.824	S	S	*	*			trans	-78.8	146.2	178.1	-70.6	173.5	168	-177.2	0	111.4
34	R	31.6	Very low	31.6	Very low	246 Å²	246	168 Å²	168	93%	0.928	83%	0.826	S	S	*	*			trans	160.5	131.7	152	-95.9	167.7	175.4	-160.8	-2.5	106.4
35	S	31.7	Very low	31.5	Very low	109 Å²	109	169.2 Å²	169.2	76%	0.762	82%	0.824	S	S	*	*			cis	-162.5	138.2	-1.9	29.3	0	0	0	0	104.1	E37	S35-E37 PolarHBondContact O-N 2.81Å
36	E	28.5	Very low	31.2	Very low	203 Å²	203	164.2 Å²	164.2	95%	0.949	82%	0.821	S	S	*	*			trans	-75.7	114.1	177.4	-70.4	164.3	168	0	0	109
37	E	33.9	Very low	31.1	Very low	189 Å²	189	161.9 Å²	161.9	88%	0.883	82%	0.819	S	S	*	*			trans	-118	117.6	155.4	-90.3	178.3	169.4	0	0	106.7	S35	S35-E37 PolarHBondContact O-N 2.81Å
38	S	29.9	Very low	31	Very low	111 Å²	111	155.5 Å²	155.5	78%	0.776	81%	0.813	S	S	*	*			trans	-82.3	106.2	-178.2	48.8	0	0	0	0	109.8
39	D	33.9	Very low	30.9	Very low	157 Å²	157	154.2 Å²	154.2	84%	0.84	81%	0.81	S	S	*	*			trans	-102.1	114.2	161	-78.4	-24.5	0	0	0	108.3	E41	D39-E41 PolarHBondContact O-N 2.93Å
40	E	33.5	Very low	31	Very low	175 Å²	175	155 Å²	155	82%	0.818	81%	0.809	S	S	*	*			trans	-63.4	108.9	-177.2	-63.9	-180	159.5	0	0	111.1	Q42	E40-Q42 PolarHBondContact O-N 3.29Å
41	E	32.2	Very low	31.1	Very low	186 Å²	186	153.1 Å²	153.1	87%	0.869	80%	0.798	S	S	*	*			trans	-69.1	95.1	164.3	-78.4	-175.3	156.1	0	0	109.7	D39 V43	D39-E41 PolarHBondContact O-N 2.93Å; E41-V43 PolarHBondContact O-N 3.29Å; E41-V43 VanDerWaalsContact O-N 3.16Å
42	Q	31.5	Very low	31.5	Very low	134 Å²	134	147.9 Å²	147.9	63%	0.626	79%	0.787	S	S	*	*			trans	-76	99.1	163.3	-79.4	-172.8	2.2	0	0	110.2	E40 Y44	E40-Q42 PolarHBondContact O-N 3.29Å; Q42-Y44 HydrophobicContact CB-CD2 4.37Å; Q42-Y44 HydrophobicContact CB-CE2 4.19Å; Q42-Y44 PolarHBondContact O-N 3.16Å; Q42-Y44 VanDerWaalsContact O-N 3.09Å
43	V	28.5	Very low	32.1	Very low	114 Å²	114	146.1 Å²	146.1	69%	0.691	78%	0.78	S	S	*	*			trans	-63.1	99.5	164.5	-179.3	0	0	0	0	108.8	E41 T45	E41-V43 PolarHBondContact O-N 3.29Å; E41-V43 VanDerWaalsContact O-N 3.16Å; V43-T45 VanDerWaalsContact C-N 3.35Å; V43-T45 HydrophobicContact CG1-CG2 4.03Å; V43-T45 PolarHBondContact O-N 3.18Å; V43-T45 VanDerWaalsContact O-N 3.09Å
44	Y	30.9	Very low	33.1	Very low	199 Å²	199	145.3 Å²	145.3	78%	0.78	78%	0.779	S	S	*	*			trans	-80	88.9	165.9	-86.6	-84.8	0	0	0	109.6	Q42 G46	Q42-Y44 HydrophobicContact CB-CD2 4.37Å; Q42-Y44 HydrophobicContact CB-CE2 4.19Å; Q42-Y44 PolarHBondContact O-N 3.16Å; Q42-Y44 VanDerWaalsContact O-N 3.09Å; Y44-G46 PolarHBondContact O-N 2.95Å
45	T	32.1	Very low	34.4	Very low	110 Å²	110	141.2 Å²	141.2	68%	0.675	78%	0.775	S	S	*	*			trans	-57.7	128.6	161.1	49.9	0	0	0	0	109.6	V43 N47	V43-T45 VanDerWaalsContact C-N 3.35Å; V43-T45 HydrophobicContact CG1-CG2 4.03Å; V43-T45 PolarHBondContact O-N 3.18Å; V43-T45 VanDerWaalsContact O-N 3.09Å; T45-N47 PolarHBondContact O-N 3.29Å
46	G	26.9	Very low	35.9	Very low	76 Å²	76	140.1 Å²	140.1	78%	0.784	76%	0.758	S	S	*	*			trans	-55.2	117.5	178.3	0	0	0	0	0	112.4	Y44	Y44-G46 PolarHBondContact O-N 2.95Å
47	N	30.6	Very low	38.2	Very low	155 Å²	155	132.8 Å²	132.8	83%	0.829	73%	0.725	S	S	*	*			trans	-143.8	129.3	156.3	-94.5	-20.7	0	0	0	106.5	T45 A49	T45-N47 PolarHBondContact O-N 3.29Å; N47-A49 PolarHBondContact O-N 3.36Å; N47-A49 VanDerWaalsContact O-N 3.09Å
48	G	28.5	Very low	40.4	Very low	78 Å²	78	129.7 Å²	129.7	80%	0.804	72%	0.719	S	S	*	*			trans	-49	113.1	-169.3	0	0	0	0	0	113.2	V50	G48-V50 PolarHBondContact O-N 2.98Å
49	A	30.9	Very low	43.1	Very low	90 Å²	90	129.1 Å²	129.1	74%	0.744	70%	0.7	S	S	*	*			trans	-72.5	108.3	167	0	0	0	0	0	108	N47 Y51	N47-A49 PolarHBondContact O-N 3.36Å; N47-A49 VanDerWaalsContact O-N 3.09Å; A49-Y51 PolarHBondContact O-N 3.29Å; A49-Y51 VanDerWaalsContact O-N 3.16Å
50	V	31.3	Very low	45.8	Very low	134 Å²	134	122 Å²	122	81%	0.812	66%	0.663	S	S	*	*			trans	-55.9	113.9	163.6	177.3	0	0	0	0	107.1	G48 N52	G48-V50 PolarHBondContact O-N 2.98Å; V50-N52 PolarHBondContact O-N 2.75Å; V50-N52 VanDerWaalsContact O-N 3.1Å
51	Y	35	Very low	48.4	Very low	165 Å²	165	121.7 Å²	121.7	65%	0.647	65%	0.654	S	S	*	*			trans	-61.5	110.9	173.2	-103.9	-99.5	0	0	0	108.5	A49 D53 R129	A49-Y51 PolarHBondContact O-N 3.29Å; A49-Y51 VanDerWaalsContact O-N 3.16Å; Y51-D53 PolarHBondContact O-N 3.5Å; Y51-R129 PolarHBondContact OH-NH1 3.38Å; Y51-R129 PolarHBondContact OH-NH2 3.12Å
52	N	36.3	Very low	51.2	Low	126 Å²	126	116.6 Å²	116.6	67%	0.674	64%	0.639	S	S	*	*			trans	-86	106.1	171.7	-133.2	8.2	0	0	0	106.9	V50 Q54	V50-N52 PolarHBondContact O-N 2.75Å; V50-N52 VanDerWaalsContact O-N 3.1Å; N52-Q54 PolarHBondContact O-N 3.23Å
53	D	48	Very low	54.1	Low	128 Å²	128	110.8 Å²	110.8	68%	0.684	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	14.4	-176.1	-160.5	23.2	0	0	0	114.5	Y51	Y51-D53 PolarHBondContact O-N 3.5Å
54	Q	50	Low	57.1	Low	166 Å²	166	109.4 Å²	109.4	78%	0.776	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	0.2	-170.4	-66.1	-172.9	-9.4	0	0	114.4	N52	N52-Q54 PolarHBondContact O-N 3.23Å
55	N	58.4	Low	60.2	Low	160 Å²	160	103.2 Å²	103.2	86%	0.856	58%	0.582	S	S	*	*			trans	-126.8	30.3	180	-93.9	-3.9	0	0	0	112.8	D57	N55-D57 PolarHBondContact O-N 2.93Å
56	E	62.5	Low	63.1	Low	86 Å²	86	99.6 Å²	99.6	40%	0.402	56%	0.559	S	S	.	*			trans	-67.5	122.5	169.7	-71.4	-163.7	161.1	0	0	109.6	T58 R61	E56-T58 PolarHBondContact O-N 3.3Å; E56-R61 IonicContact OE1-NH2 3.51Å; E56-R61 IonicContact OE2-CZ 3.63Å; E56-R61 IonicContact OE2-NE 3.17Å; E56-R61 PolarHBondContact OE2-NE 3.43Å; E56-R61 VanDerWaalsContact OE2-NE 3.17Å; E56-R61 IonicContact OE2-NH2 3.15Å; E56-R61 PolarHBondContact OE2-NH2 3.36Å; E56-R61 VanDerWaalsContact OE2-NH2 3.15Å
57	D	77.1	Confident	66.3	Low	49 Å²	49	102.4 Å²	102.4	26%	0.262	56%	0.556	S	S	.	*			trans	-59.9	127.8	169.2	-171.4	-37.7	0	0	0	108.1	N55 R59 S60	N55-D57 PolarHBondContact O-N 2.93Å; D57-R59 PolarHBondContact O-N 2.94Å; D57-R59 VanDerWaalsContact OD1-CB 3.26Å; D57-R59 WeakPolarHBondContact OD1-CB 3.17Å; D57-R59 WeakPolarHBondContact OD1-CG 3.45Å; D57-R59 IonicContact OD1-CZ 4Å; D57-R59 PolarHBondContact OD1-N 3.41Å; D57-R59 IonicContact OD1-NE 2.71Å; D57-R59 PolarHBondContact OD1-NE 3.05Å; D57-R59 IonicContact OD1-NH2 3.82Å; D57-R59 IonicContact OD2-CZ 3.98Å; D57-R59 VanDerWaalsContact OD2-CZ 3.3Å; D57-R59 IonicContact OD2-NE 3.25Å; D57-R59 PolarHBondContact OD2-NE 2.68Å; D57-R59 VanDerWaalsContact OD2-NE 3.14Å; D57-R59 IonicContact OD2-NH2 3.17Å; D57-R59 PolarHBondContact OD2-NH2 2.92Å; D57-S60 WeakPolarHBondContact O-CB 3.43Å; D57-S60 PolarHBondContact O-N 2.95Å; D57-S60 PolarHBondContact O-OG 2.72Å
58	T	81	Confident	69.4	Low	124 Å²	124	97.4 Å²	97.4	76%	0.761	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-58.1	-24.7	-178.1	54.9	0	0	0	0	112.4	E56 S60 S62	E56-T58 PolarHBondContact O-N 3.3Å; T58-S60 VanDerWaalsContact C-N 3.28Å; T58-S60 PolarHBondContact O-N 2.86Å; T58-S62 PolarHBondContact O-OG 3.38Å; T58-S62 VanDerWaalsContact O-OG 3.04Å
59	R	86.7	Confident	72.6	Confident	100 Å²	100	94.3 Å²	94.3	38%	0.377	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-73	-18	176.4	-60	174.9	-70.8	173.6	2.6	113.3	D57 R61 S62 C63 Y137	D57-R59 PolarHBondContact O-N 2.94Å; D57-R59 VanDerWaalsContact OD1-CB 3.26Å; D57-R59 WeakPolarHBondContact OD1-CB 3.17Å; D57-R59 WeakPolarHBondContact OD1-CG 3.45Å; D57-R59 IonicContact OD1-CZ 4Å; D57-R59 PolarHBondContact OD1-N 3.41Å; D57-R59 IonicContact OD1-NE 2.71Å; D57-R59 PolarHBondContact OD1-NE 3.05Å; D57-R59 IonicContact OD1-NH2 3.82Å; D57-R59 IonicContact OD2-CZ 3.98Å; D57-R59 VanDerWaalsContact OD2-CZ 3.3Å; D57-R59 IonicContact OD2-NE 3.25Å; D57-R59 PolarHBondContact OD2-NE 2.68Å; D57-R59 VanDerWaalsContact OD2-NE 3.14Å; D57-R59 IonicContact OD2-NH2 3.17Å; D57-R59 PolarHBondContact OD2-NH2 2.92Å; R59-R61 PolarHBondContact O-N 3.02Å; R59-S62 CarbonylContact O-C 3.59Å; R59-S62 PolarHBondContact O-N 3.32Å; R59-C63 PolarHBondContact O-N 2.99Å; R59-Y137 HydrophobicContact CB-CD1 4.27Å; R59-Y137 HydrophobicContact CB-CD2 3.93Å; R59-Y137 HydrophobicContact CB-CE1 4.09Å; R59-Y137 HydrophobicContact CB-CE2 3.74Å; R59-Y137 HydrophobicContact CB-CG 4.19Å; R59-Y137 WeakPolarHBondContact O-CE2 3.24Å
60	S	89.1	Confident	75.6	Confident	8 Å²	8	95.6 Å²	95.6	6%	0.056	48%	0.482	C	S	.	.	G	3₁₀ helix	trans	-56.7	-38.3	-175.6	-51.6	0	0	0	0	112.6	D57 T58 E138 I139 L140	D57-S60 WeakPolarHBondContact O-CB 3.43Å; D57-S60 PolarHBondContact O-N 2.95Å; D57-S60 PolarHBondContact O-OG 2.72Å; T58-S60 VanDerWaalsContact C-N 3.28Å; T58-S60 PolarHBondContact O-N 2.86Å; S60-E138 WeakPolarHBondContact CA-O 3.48Å; S60-E138 WeakPolarHBondContact CB-O 3.42Å; S60-E138 PolarHBondContact OG-O 2.75Å; S60-I139 WeakPolarHBondContact O-CA 3.41Å; S60-L140 PolarHBondContact O-N 3.31Å
61	R	89.7	Confident	78.7	Confident	167 Å²	167	91 Å²	91	63%	0.63	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-97.4	1	179.8	-61.3	176.4	-175.2	-110.4	0.3	113.5	E56 R59 L140	E56-R61 IonicContact OE1-NH2 3.51Å; E56-R61 IonicContact OE2-CZ 3.63Å; E56-R61 IonicContact OE2-NE 3.17Å; E56-R61 PolarHBondContact OE2-NE 3.43Å; E56-R61 VanDerWaalsContact OE2-NE 3.17Å; E56-R61 IonicContact OE2-NH2 3.15Å; E56-R61 PolarHBondContact OE2-NH2 3.36Å; E56-R61 VanDerWaalsContact OE2-NH2 3.15Å; R59-R61 PolarHBondContact O-N 3.02Å; R61-L140 HydrophobicContact CG-CB 4.31Å
62	S	90.4	Very high	81.4	Confident	80 Å²	80	88.9 Å²	88.9	56%	0.559	45%	0.45	S	S	*	.			trans	-140	42.5	-172.2	59.5	0	0	0	0	112.1	T58 R59	T58-S62 PolarHBondContact O-OG 3.38Å; T58-S62 VanDerWaalsContact O-OG 3.04Å; R59-S62 CarbonylContact O-C 3.59Å; R59-S62 PolarHBondContact O-N 3.32Å
63	C	91.3	Very high	84.1	Confident	11 Å²	11	87.1 Å²	87.1	7%	0.074	44%	0.438	C	S	.	.			trans	-65.5	123.5	178.8	177.8	0	0	0	0	110.6	R59 Y65 L66 Y137 I139	R59-C63 PolarHBondContact O-N 2.99Å; C63-Y65 PolarHBondContact O-N 3.38Å; C63-L66 HydrophobicContact CB-CD1 4.34Å; C63-L66 HydrophobicContact CB-CD2 4.05Å; C63-L66 HydrophobicContact CB-CG 3.92Å; C63-Y137 HydrophobicContact CB-CE2 4.1Å; C63-Y137 PolarHBondContact SG-OH 2.83Å; C63-I139 HydrophobicContact CB-CD1 4.25Å; C63-I139 HydrophobicContact CB-CG1 4.1Å; C63-I139 HydrophobicContact CB-CG2 4.21Å
64	P	93.3	Very high	86.3	Confident	86 Å²	86	81.5 Å²	81.5	56%	0.558	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-10.6	-177.1	30.6	-35.2	0	0	0	113.4	Y137	P64-Y137 WeakPolarHBondContact CD-OH 3.3Å
65	Y	94.3	Very high	88.4	Confident	68 Å²	68	75.5 Å²	75.5	27%	0.267	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	6.4	-171.3	-52.2	-67.6	0	0	0	114.1	C63 D67 T68 H120 V121 C132	C63-Y65 PolarHBondContact O-N 3.38Å; Y65-D67 PolarHBondContact O-N 3.39Å; Y65-T68 WeakPolarHBondContact O-CB 3.46Å; Y65-T68 PolarHBondContact O-N 3.13Å; Y65-T68 VanDerWaalsContact O-N 3.12Å; Y65-T68 PolarHBondContact O-OG1 2.81Å; Y65-H120 HydrophobicContact CD1-CB 4.26Å; Y65-H120 AromaticContact CD1-ND1 3.38Å; Y65-H120 WeakPolarHBondContact CD1-ND1 3.48Å; Y65-H120 HydrophobicContact CD2-CB 3.71Å; Y65-H120 AromaticContact CE1-CE1 3.91Å; Y65-H120 AromaticContact CE1-ND1 3.37Å; Y65-H120 WeakPolarHBondContact CE1-ND1 3.4Å; Y65-H120 HydrophobicContact CE2-CB 4.09Å; Y65-H120 HydrophobicContact CG-CB 3.79Å; Y65-H120 AromaticContact CG-ND1 3.85Å; Y65-H120 AromaticContact CZ-ND1 3.82Å; Y65-V121 WeakPolarHBondContact O-CG2 3.28Å; Y65-C132 VanDerWaalsContact CD2-SG 3.52Å
66	L	93.7	Very high	90.1	Very high	34 Å²	34	68.1 Å²	68.1	18%	0.178	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-65.2	-26.7	-176	-62.8	-178.1	0	0	0	113.5	C63 T68 I69 I139 D141 L144	C63-L66 HydrophobicContact CB-CD1 4.34Å; C63-L66 HydrophobicContact CB-CD2 4.05Å; C63-L66 HydrophobicContact CB-CG 3.92Å; L66-T68 VanDerWaalsContact C-N 3.27Å; L66-T68 PolarHBondContact O-N 3.1Å; L66-I69 HydrophobicContact CD2-CD1 4.1Å; L66-I69 WeakPolarHBondContact O-CB 3.16Å; L66-I69 WeakPolarHBondContact O-CD1 3.48Å; L66-I69 WeakPolarHBondContact O-CG1 3.36Å; L66-I69 PolarHBondContact O-N 2.81Å; L66-I139 HydrophobicContact CD2-CD1 4.41Å; L66-I139 HydrophobicContact CD2-CG2 3.82Å; L66-D141 HydrophobicContact CD1-CB 4.07Å; L66-D141 WeakPolarHBondContact CD1-OD2 3.31Å; L66-L144 HydrophobicContact CD2-CD1 4.16Å; L66-L144 HydrophobicContact CD2-CD2 4.48Å
67	D	93.5	Very high	91.5	Very high	135 Å²	135	64.5 Å²	64.5	72%	0.722	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-68.9	-23	175.3	66.9	-31.3	0	0	0	113.1	Y65 I69	Y65-D67 PolarHBondContact O-N 3.39Å; D67-I69 PolarHBondContact O-N 2.84Å
68	T	95.6	Very high	92.1	Very high	51 Å²	51	66.3 Å²	66.3	31%	0.313	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-74	-12.2	178	71.6	0	0	0	0	113.8	Y65 L66 R70	Y65-T68 WeakPolarHBondContact O-CB 3.46Å; Y65-T68 PolarHBondContact O-N 3.13Å; Y65-T68 VanDerWaalsContact O-N 3.12Å; Y65-T68 PolarHBondContact O-OG1 2.81Å; L66-T68 VanDerWaalsContact C-N 3.27Å; L66-T68 PolarHBondContact O-N 3.1Å; T68-R70 PolarHBondContact O-N 3.18Å
69	I	96.3	Very high	92.6	Very high	12 Å²	12	63.3 Å²	63.3	6%	0.062	31%	0.308	C	S	.	.			trans	-67.6	122	-175.2	-63.8	172.3	0	0	0	110.8	L66 D67 R71 L95 V121 L144 I147	L66-I69 HydrophobicContact CD2-CD1 4.1Å; L66-I69 WeakPolarHBondContact O-CB 3.16Å; L66-I69 WeakPolarHBondContact O-CD1 3.48Å; L66-I69 WeakPolarHBondContact O-CG1 3.36Å; L66-I69 PolarHBondContact O-N 2.81Å; D67-I69 PolarHBondContact O-N 2.84Å; I69-R71 HydrophobicContact CG2-CG 4.27Å; I69-L95 HydrophobicContact CD1-CD1 4.07Å; I69-L95 HydrophobicContact CG1-CB 4.1Å; I69-L95 HydrophobicContact CG1-CD1 4.38Å; I69-L95 HydrophobicContact CG2-CB 4.08Å; I69-V121 HydrophobicContact CD1-CG1 4.03Å; I69-V121 HydrophobicContact CG1-CB 4.29Å; I69-V121 HydrophobicContact CG1-CG1 4.24Å; I69-V121 HydrophobicContact CG1-CG2 4.38Å; I69-L144 HydrophobicContact CD1-CD2 3.45Å; I69-L144 VanDerWaalsContact CD1-CD2 3.45Å; I69-I147 HydrophobicContact CG2-CD1 3.9Å
70	R	95.2	Very high	92.9	Very high	118 Å²	118	60.3 Å²	60.3	45%	0.445	30%	0.298	S	S	.	.			trans	-106.4	87	179.1	-71.4	-166.9	-70.7	-174	-10.8	111	T68 N72 M73 L95 I96	T68-R70 PolarHBondContact O-N 3.18Å; R70-N72 WeakPolarHBondContact CB-OD1 3.47Å; R70-N72 PolarHBondContact O-N 3.31Å; R70-M73 HydrophobicContact CB-CB 4.39Å; R70-M73 HydrophobicContact CB-CG 3.93Å; R70-M73 WeakPolarHBondContact O-CB 3.36Å; R70-M73 PolarHBondContact O-N 3.43Å; R70-L95 PolarHBondContact N-O 3.49Å; R70-I96 PolarHBondContact NE-O 2.98Å; R70-I96 PolarHBondContact NH2-O 2.88Å
71	R	94.4	Very high	93.1	Very high	38 Å²	38	61.7 Å²	61.7	14%	0.143	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-56	-33.2	-179.2	-74	168.4	170.7	77.1	0.3	113.7	I69 M73 L74 S143 D146 I147 Y173 F248	I69-R71 HydrophobicContact CG2-CG 4.27Å; R71-M73 PolarHBondContact O-N 2.83Å; R71-L74 PolarHBondContact O-N 3Å; R71-L74 VanDerWaalsContact O-N 3.14Å; R71-S143 PolarHBondContact NH2-O 2.8Å; R71-D146 IonicContact CZ-OD2 3.98Å; R71-D146 IonicContact NE-OD1 2.67Å; R71-D146 IonicContact NE-OD2 3.3Å; R71-D146 PolarHBondContact NE-OD2 3.43Å; R71-D146 IonicContact NH2-OD1 3.95Å; R71-D146 PolarHBondContact NH2-OD1 2.68Å; R71-D146 IonicContact NH2-OD2 3.91Å; R71-I147 HydrophobicContact CG-CD1 4.49Å; R71-Y173 HydrophobicContact CB-CD1 3.96Å; R71-Y173 HydrophobicContact CB-CD2 4.27Å; R71-Y173 HydrophobicContact CB-CE1 3.67Å; R71-Y173 HydrophobicContact CB-CE2 4Å; R71-Y173 HydrophobicContact CB-CG 4.26Å; R71-Y173 HydrophobicContact CG-CE2 4.33Å; R71-F248 HydrophobicContact CB-CD2 3.93Å; R71-F248 HydrophobicContact CB-CE2 3.7Å; R71-F248 HydrophobicContact CB-CZ 4.24Å; R71-F248 HydrophobicContact CG-CD2 4.49Å; R71-F248 HydrophobicContact CG-CE2 3.77Å; R71-F248 HydrophobicContact CG-CZ 3.96Å; R71-F248 VanDerWaalsContact O-CD2 3.24Å; R71-F248 WeakPolarHBondContact O-CD2 3.39Å
72	N	92.6	Very high	93.5	Very high	120 Å²	120	53.8 Å²	53.8	64%	0.642	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-64.3	-18.8	176	63	-26.1	0	0	0	114.5	R70 Y173	R70-N72 WeakPolarHBondContact CB-OD1 3.47Å; R70-N72 PolarHBondContact O-N 3.31Å; N72-Y173 HydrophobicContact CB-CE1 4.49Å
73	M	93.2	Very high	93.7	Very high	89 Å²	89	53.3 Å²	53.3	44%	0.438	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-90.5	-9	176.8	-60.8	-60.6	-63.1	0	0	112.9	R70 R71 D75	R70-M73 HydrophobicContact CB-CB 4.39Å; R70-M73 HydrophobicContact CB-CG 3.93Å; R70-M73 WeakPolarHBondContact O-CB 3.36Å; R70-M73 PolarHBondContact O-N 3.43Å; R71-M73 PolarHBondContact O-N 2.83Å; M73-D75 PolarHBondContact O-N 3.03Å
74	L	94.9	Very high	93.9	Very high	9 Å²	9	56.9 Å²	56.9	5%	0.047	29%	0.293	C	S	.	.			trans	-85.4	112.3	-173.8	-53.7	-174.5	0	0	0	110.4	R71 F76 L95 I147 F248	R71-L74 PolarHBondContact O-N 3Å; R71-L74 VanDerWaalsContact O-N 3.14Å; L74-F76 HydrophobicContact CB-CE2 4.32Å; L74-F76 HydrophobicContact CB-CZ 4.23Å; L74-F76 HydrophobicContact CD1-CZ 4.43Å; L74-L95 HydrophobicContact CD1-CD2 4.01Å; L74-L95 HydrophobicContact CD2-CD2 4.1Å; L74-I147 HydrophobicContact CD1-CD1 3.92Å; L74-I147 HydrophobicContact CD1-CG1 4.08Å; L74-I147 HydrophobicContact CD1-CG2 3.9Å; L74-F248 HydrophobicContact CB-CD2 4.39Å; L74-F248 HydrophobicContact CB-CE2 4.41Å; L74-F248 HydrophobicContact CD1-CE2 4.15Å
75	D	92.9	Very high	94	Very high	41 Å²	41	55 Å²	55	22%	0.219	28%	0.282	C	S	.	.			trans	-123.9	112.9	173.1	-162.1	-23.7	0	0	0	109.6	M73 D77 F78 Y100 K249	M73-D75 PolarHBondContact O-N 3.03Å; D75-D77 VanDerWaalsContact OD1-CB 3.24Å; D75-D77 WeakPolarHBondContact OD1-CB 3.28Å; D75-D77 PolarHBondContact OD1-N 3.06Å; D75-F78 HydrophobicContact CB-CD2 4.26Å; D75-F78 HydrophobicContact CB-CE2 4.04Å; D75-F78 VanDerWaalsContact CG-CE2 3.46Å; D75-F78 WeakPolarHBondContact OD2-CE2 3.38Å; D75-Y100 PolarHBondContact O-OH 2.79Å; D75-K249 IonicContact OD1-NZ 3.58Å; D75-K249 PolarHBondContact OD1-NZ 3.43Å; D75-K249 IonicContact OD2-NZ 3.59Å; D75-K249 PolarHBondContact OD2-NZ 3.24Å
76	F	94.7	Very high	94.1	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.018	30%	0.299	C	S	.	.			trans	-100.4	19.3	179.3	-58.2	-54.6	0	0	0	112.9	L74 K80 A93 Y100 L123 L125 I147 L150 L151 K241	L74-F76 HydrophobicContact CB-CE2 4.32Å; L74-F76 HydrophobicContact CB-CZ 4.23Å; L74-F76 HydrophobicContact CD1-CZ 4.43Å; F76-K80 PolarHBondContact O-NZ 2.76Å; F76-A93 HydrophobicContact CE1-CB 3.92Å; F76-Y100 WeakPolarHBondContact CA-OH 3.23Å; F76-Y100 HydrophobicContact CD1-CE1 4.36Å; F76-L123 HydrophobicContact CE1-CD2 4.39Å; F76-L123 HydrophobicContact CZ-CD2 3.94Å; F76-L125 HydrophobicContact CD1-CD2 4.11Å; F76-L125 HydrophobicContact CE1-CD2 4.05Å; F76-I147 HydrophobicContact CE2-CG2 3.8Å; F76-I147 HydrophobicContact CZ-CG2 3.79Å; F76-L150 HydrophobicContact CD2-CB 4.16Å; F76-L150 HydrophobicContact CD2-CD2 3.74Å; F76-L150 HydrophobicContact CD2-CG 3.85Å; F76-L150 HydrophobicContact CE2-CB 4.33Å; F76-L150 HydrophobicContact CE2-CD2 3.9Å; F76-L150 HydrophobicContact CE2-CG 4.32Å; F76-L151 HydrophobicContact CB-CD1 3.87Å; F76-L151 HydrophobicContact CD1-CD1 3.89Å; F76-L151 HydrophobicContact CD2-CB 3.79Å; F76-L151 HydrophobicContact CD2-CD1 4.37Å; F76-L151 HydrophobicContact CE2-CB 4.06Å; F76-L151 HydrophobicContact CG-CB 4.1Å; F76-L151 HydrophobicContact CG-CD1 3.8Å; F76-K241 PolarHBondContact O-NZ 3.16Å
77	D	92.4	Very high	94.1	Very high	10 Å²	10	57.1 Å²	57.1	5%	0.053	30%	0.299	C	S	.	.	S	Bend	trans	-90.2	-7.3	-178.8	-62.7	-24.5	0	0	0	115.4	D75 K241 K249 S253	D75-D77 VanDerWaalsContact OD1-CB 3.24Å; D75-D77 WeakPolarHBondContact OD1-CB 3.28Å; D75-D77 PolarHBondContact OD1-N 3.06Å; D77-K241 WeakPolarHBondContact OD1-CD 3.47Å; D77-K241 IonicContact OD1-NZ 3.34Å; D77-K241 PolarHBondContact OD1-NZ 2.85Å; D77-K249 WeakPolarHBondContact OD2-CE 3.03Å; D77-K249 IonicContact OD2-NZ 3.68Å; D77-K249 PolarHBondContact OD2-NZ 3.08Å; D77-S253 WeakPolarHBondContact CB-O 3.46Å; D77-S253 PolarHBondContact OD2-N 3.26Å
78	F	90	Very high	94.1	Very high	88 Å²	88	55.8 Å²	55.8	39%	0.386	29%	0.288	S	S	.	.	S	Bend	trans	-100.7	165.9	-179	-57	-75.2	0	0	0	112.7	D75 K80 H255	D75-F78 HydrophobicContact CB-CD2 4.26Å; D75-F78 HydrophobicContact CB-CE2 4.04Å; D75-F78 VanDerWaalsContact CG-CE2 3.46Å; D75-F78 WeakPolarHBondContact OD2-CE2 3.38Å; F78-K80 PolarHBondContact O-N 2.84Å; F78-K80 PolarHBondContact O-NZ 2.73Å; F78-H255 HydrophobicContact CD1-CB 4.21Å; F78-H255 AromaticContact CD1-CD2 3.86Å; F78-H255 HydrophobicContact CE1-CB 4.42Å
79	E	89.8	Confident	94	Very high	60 Å²	60	59 Å²	59	28%	0.28	30%	0.303	S	S	.	.			trans	-55.3	132.5	179.4	-166	166.7	-165.9	0	0	112.5	L81 H88 Y100 E256 Q259	E79-L81 HydrophobicContact CB-CD2 4.23Å; E79-L81 HydrophobicContact CB-CG 4.38Å; E79-L81 HydrophobicContact CG-CD2 3.83Å; E79-L81 HydrophobicContact CG-CG 4.21Å; E79-L81 PolarHBondContact O-N 3.46Å; E79-H88 IonicContact OE1-CE1 3.75Å; E79-H88 PolarHBondContact OE1-CE1 2.76Å; E79-H88 VanDerWaalsContact OE1-CE1 3.25Å; E79-H88 IonicContact OE1-NE2 2.7Å; E79-Y100 WeakPolarHBondContact O-CD2 3.4Å; E79-Y100 WeakPolarHBondContact O-CE2 3.48Å; E79-E256 WeakPolarHBondContact CA-OE1 3.44Å; E79-Q259 PolarHBondContact OE2-NE2 3.35Å
80	K	93.2	Very high	94	Very high	38 Å²	38	62.7 Å²	62.7	17%	0.165	32%	0.323	C	S	.	.			trans	-81	68.5	-176.6	-52.1	-66.2	169.3	-118.2	0	110.5	F76 F78 H88 Y100 L125	F76-K80 PolarHBondContact O-NZ 2.76Å; F78-K80 PolarHBondContact O-N 2.84Å; F78-K80 PolarHBondContact O-NZ 2.73Å; K80-H88 PolarHBondContact O-ND1 3.46Å; K80-Y100 HydrophobicContact CD-CE2 4Å; K80-Y100 PolarHBondContact NZ-OH 2.86Å; K80-Y100 VanDerWaalsContact NZ-OH 3.12Å; K80-L125 HydrophobicContact CB-CD1 4.3Å; K80-L125 HydrophobicContact CD-CB 4.32Å; K80-L125 HydrophobicContact CD-CD1 3.79Å; K80-L125 HydrophobicContact CD-CD2 4.14Å; K80-L125 HydrophobicContact CD-CG 4.3Å
81	L	94.3	Very high	94.1	Very high	37 Å²	37	57.3 Å²	57.3	19%	0.194	30%	0.303	C	S	.	.			trans	-125.7	155.2	177.5	59.9	77.3	0	0	0	111.8	E79 S83 L86 S87 Y100	E79-L81 HydrophobicContact CB-CD2 4.23Å; E79-L81 HydrophobicContact CB-CG 4.38Å; E79-L81 HydrophobicContact CG-CD2 3.83Å; E79-L81 HydrophobicContact CG-CG 4.21Å; E79-L81 PolarHBondContact O-N 3.46Å; L81-S83 PolarHBondContact O-N 3.31Å; L81-L86 HydrophobicContact CD1-CD2 3.92Å; L81-S87 CarbonylContact C-O 3.56Å; L81-S87 WeakPolarHBondContact CA-O 3.43Å; L81-Y100 WeakPolarHBondContact O-CB 2.97Å
82	C	97	Very high	94.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.298	C	S	.	.			trans	-69	129.9	174.4	176.7	0	0	0	0	111.1	V84 S85 L86 S87 Y100 Q102	C82-V84 PolarHBondContact O-N 2.92Å; C82-V84 VanDerWaalsContact O-N 3.08Å; C82-V84 PolarHBondContact SG-N 2.94Å; C82-S85 VanDerWaalsContact CB-OG 3.3Å; C82-S85 WeakPolarHBondContact CB-OG 3.3Å; C82-S85 PolarHBondContact SG-N 2.79Å; C82-S85 PolarHBondContact SG-OG 3.34Å; C82-L86 WeakPolarHBondContact O-CA 2.99Å; C82-L86 PolarHBondContact O-N 2.83Å; C82-S87 PolarHBondContact N-O 2.88Å; C82-Y100 WeakPolarHBondContact CA-O 3.44Å; C82-Q102 HydrophobicContact CB-CB 3.73Å; C82-Q102 PolarHBondContact SG-N 2.92Å
83	S	95.2	Very high	94.5	Very high	70 Å²	70	50.1 Å²	50.1	49%	0.49	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-6	177.7	-51.4	0	0	0	0	114.6	L81 Y100	L81-S83 PolarHBondContact O-N 3.31Å; S83-Y100 PolarHBondContact N-O 3Å; S83-Y100 PolarHBondContact OG-O 3.26Å
84	V	95.9	Very high	94.7	Very high	87 Å²	87	45.9 Å²	45.9	53%	0.527	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-58	179.4	-176.2	0	0	0	0	110.7	C82 F101	C82-V84 PolarHBondContact O-N 2.92Å; C82-V84 VanDerWaalsContact O-N 3.08Å; C82-V84 PolarHBondContact SG-N 2.94Å; V84-F101 HydrophobicContact CG2-CD1 4.18Å; V84-F101 HydrophobicContact CG2-CE1 4.16Å
85	S	95.8	Very high	94.8	Very high	47 Å²	47	45.5 Å²	45.5	33%	0.329	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-11.1	-176.7	61.3	0	0	0	0	114.7	C82 S87 Q102	C82-S85 VanDerWaalsContact CB-OG 3.3Å; C82-S85 WeakPolarHBondContact CB-OG 3.3Å; C82-S85 PolarHBondContact SG-N 2.79Å; C82-S85 PolarHBondContact SG-OG 3.34Å; S85-S87 PolarHBondContact O-N 3.26Å; S85-S87 VanDerWaalsContact O-N 3.11Å; S85-S87 WeakPolarHBondContact OG-CB 3.09Å; S85-S87 PolarHBondContact OG-N 2.89Å; S85-Q102 PolarHBondContact OG-OE1 2.9Å
86	L	94.9	Very high	95	Very high	120 Å²	120	44 Å²	44	63%	0.628	24%	0.236	S	C	*	.			trans	58.6	14.6	-170.9	-52.9	176.6	0	0	0	114.3	L81 C82	L81-L86 HydrophobicContact CD1-CD2 3.92Å; C82-L86 WeakPolarHBondContact O-CA 2.99Å; C82-L86 PolarHBondContact O-N 2.83Å
87	S	95	Very high	95.1	Very high	25 Å²	25	44.9 Å²	44.9	18%	0.175	24%	0.242	C	C	.	.			trans	-77	142.7	177.6	179.7	0	0	0	0	111.9	L81 C82 S85 L89 V91 Q102	L81-S87 CarbonylContact C-O 3.56Å; L81-S87 WeakPolarHBondContact CA-O 3.43Å; C82-S87 PolarHBondContact N-O 2.88Å; S85-S87 PolarHBondContact O-N 3.26Å; S85-S87 VanDerWaalsContact O-N 3.11Å; S85-S87 WeakPolarHBondContact OG-CB 3.09Å; S85-S87 PolarHBondContact OG-N 2.89Å; S87-L89 PolarHBondContact OG-N 2.91Å; S87-L89 VanDerWaalsContact OG-N 3.17Å; S87-V91 WeakPolarHBondContact O-CG2 3.38Å; S87-Q102 VanDerWaalsContact CB-OE1 3.28Å; S87-Q102 PolarHBondContact OG-NE2 2.87Å; S87-Q102 VanDerWaalsContact OG-NE2 3.14Å
88	H	92.4	Very high	95.3	Very high	108 Å²	108	45.1 Å²	45.1	50%	0.5	25%	0.247	S	C	.	.			trans	-90	-6.7	171.7	-63.6	-80.3	0	0	0	113.6	E79 K80 V91	E79-H88 IonicContact OE1-CE1 3.75Å; E79-H88 PolarHBondContact OE1-CE1 2.76Å; E79-H88 VanDerWaalsContact OE1-CE1 3.25Å; E79-H88 IonicContact OE1-NE2 2.7Å; K80-H88 PolarHBondContact O-ND1 3.46Å; H88-V91 WeakPolarHBondContact O-CG2 3.32Å
89	L	94.3	Very high	95.6	Very high	119 Å²	119	46.8 Å²	46.8	62%	0.623	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	129.7	-174.3	-58.4	176.5	0	0	0	110.4	S87 V91 Q102	S87-L89 PolarHBondContact OG-N 2.91Å; S87-L89 VanDerWaalsContact OG-N 3.17Å; L89-V91 PolarHBondContact O-N 2.85Å; L89-Q102 WeakPolarHBondContact O-CG 3.46Å
90	N	95.2	Very high	96	Very high	88 Å²	88	44.5 Å²	44.5	47%	0.471	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	56.7	174.7	-70.2	-48.5	0	0	0	112.8	Y92 G103	N90-Y92 HydrophobicContact CB-CE2 4.39Å; N90-Y92 VanDerWaalsContact O-CD2 3.22Å; N90-Y92 WeakPolarHBondContact O-CD2 3.3Å; N90-Y92 WeakPolarHBondContact O-CE2 3.39Å; N90-G103 PolarHBondContact O-N 3.39Å
91	V	97.5	Very high	96.2	Very high	6 Å²	6	43.3 Å²	43.3	4%	0.036	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133.6	-176.9	-169.4	0	0	0	0	110.8	S87 H88 L89 Y100 L125	S87-V91 WeakPolarHBondContact O-CG2 3.38Å; H88-V91 WeakPolarHBondContact O-CG2 3.32Å; L89-V91 PolarHBondContact O-N 2.85Å; V91-Y100 HydrophobicContact CG1-CG 4.4Å; V91-L125 HydrophobicContact CB-CD1 4.06Å; V91-L125 HydrophobicContact CG1-CD1 3.7Å; V91-L125 WeakPolarHBondContact O-CB 3.34Å; V91-L125 PolarHBondContact O-N 3.28Å
92	Y	97.9	Very high	96.4	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.027	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.6	-178.9	-70.5	-103.7	0	0	0	110.4	N90 Y100 F101 R104 F122 L123 N124 Y131	N90-Y92 HydrophobicContact CB-CE2 4.39Å; N90-Y92 VanDerWaalsContact O-CD2 3.22Å; N90-Y92 WeakPolarHBondContact O-CD2 3.3Å; N90-Y92 WeakPolarHBondContact O-CE2 3.39Å; Y92-Y100 CarbonylContact O-C 3.55Å; Y92-Y100 WeakPolarHBondContact O-CA 3.39Å; Y92-F101 PolarHBondContact N-O 3.41Å; Y92-F101 PolarHBondContact O-N 2.65Å; Y92-R104 HydrophobicContact CE1-CB 4.29Å; Y92-R104 HydrophobicContact CE2-CB 4.26Å; Y92-R104 WeakPolarHBondContact OH-CD 3.39Å; Y92-F122 HydrophobicContact CD1-CB 4.1Å; Y92-L123 CarbonylContact C-O 3.48Å; Y92-L123 VanDerWaalsContact CA-O 3.22Å; Y92-L123 WeakPolarHBondContact CA-O 3.39Å; Y92-N124 HydrophobicContact CD1-CB 3.98Å; Y92-N124 HydrophobicContact CE1-CB 3.64Å; Y92-N124 PolarHBondContact OH-ND2 2.88Å; Y92-Y131 HydrophobicContact CD1-CD2 4.36Å; Y92-Y131 AromaticContact CE1-CD2 3.57Å; Y92-Y131 HydrophobicContact CE1-CD2 3.57Å; Y92-Y131 HydrophobicContact CE1-CE2 4.06Å; Y92-Y131 HydrophobicContact CE1-CG 4.28Å
93	A	97.9	Very high	96.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	124.6	170.3	0	0	0	0	0	110.6	F76 L95 Y100 F122 L123 L125	F76-A93 HydrophobicContact CE1-CB 3.92Å; A93-L95 PolarHBondContact O-N 2.83Å; A93-Y100 HydrophobicContact CB-CD1 3.74Å; A93-Y100 HydrophobicContact CB-CE1 3.83Å; A93-F122 CarbonylContact O-C 3.54Å; A93-F122 VanDerWaalsContact O-CA 3.28Å; A93-F122 WeakPolarHBondContact O-CA 3.39Å; A93-L123 PolarHBondContact N-O 2.72Å; A93-L123 PolarHBondContact O-N 2.69Å; A93-L125 HydrophobicContact CB-CD1 4.4Å; A93-L125 HydrophobicContact CB-CD2 3.84Å; A93-L125 HydrophobicContact CB-CG 4.24Å
94	C	98.1	Very high	96.3	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	119.3	169.7	174	0	0	0	0	109.5	I96 G98 K99 F101 H119 F122	C94-I96 PolarHBondContact O-N 3.01Å; C94-G98 VanDerWaalsContact O-CA 3.29Å; C94-G98 WeakPolarHBondContact O-CA 3.49Å; C94-G98 PolarHBondContact O-N 3.39Å; C94-K99 PolarHBondContact N-O 3.31Å; C94-F101 HydrophobicContact CB-CD2 4.25Å; C94-F101 HydrophobicContact CB-CE2 4.04Å; C94-H119 VanDerWaalsContact SG-CB 3.6Å; C94-F122 HydrophobicContact CB-CD1 4.1Å; C94-F122 HydrophobicContact CB-CE1 3.79Å
95	L	97.4	Very high	96.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-4.2	-175.7	-59.6	-166.3	0	0	0	114.3	I69 R70 L74 A93 V121 L123 F130 I147	I69-L95 HydrophobicContact CD1-CD1 4.07Å; I69-L95 HydrophobicContact CG1-CB 4.1Å; I69-L95 HydrophobicContact CG1-CD1 4.38Å; I69-L95 HydrophobicContact CG2-CB 4.08Å; R70-L95 PolarHBondContact N-O 3.49Å; L74-L95 HydrophobicContact CD1-CD2 4.01Å; L74-L95 HydrophobicContact CD2-CD2 4.1Å; A93-L95 PolarHBondContact O-N 2.83Å; L95-V121 HydrophobicContact CB-CB 4.33Å; L95-V121 HydrophobicContact CB-CG1 4.31Å; L95-V121 HydrophobicContact CD1-CG1 3.69Å; L95-V121 HydrophobicContact CG-CG1 4.19Å; L95-V121 PolarHBondContact N-O 2.93Å; L95-L123 HydrophobicContact CD2-CB 3.85Å; L95-L123 HydrophobicContact CG-CB 4.44Å; L95-F130 HydrophobicContact CD1-CD1 3.76Å; L95-F130 HydrophobicContact CD1-CE1 3.74Å; L95-I147 HydrophobicContact CD1-CD1 3.97Å; L95-I147 HydrophobicContact CD2-CG2 4.2Å
96	I	97.2	Very high	96	Very high	10 Å²	10	47 Å²	47	5%	0.051	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-36.9	179.6	-58.3	82.7	0	0	0	111.4	R70 C94 H119 V121	R70-I96 PolarHBondContact NE-O 2.98Å; R70-I96 PolarHBondContact NH2-O 2.88Å; C94-I96 PolarHBondContact O-N 3.01Å; I96-H119 HydrophobicContact CB-CB 4.28Å; I96-H119 HydrophobicContact CD1-CB 4.05Å; I96-H119 HydrophobicContact CG1-CB 4.4Å; I96-H119 WeakPolarHBondContact CG2-CD2 3.31Å; I96-H119 WeakPolarHBondContact CG2-NE2 3.34Å; I96-V121 HydrophobicContact CD1-CB 4.01Å; I96-V121 HydrophobicContact CD1-CG2 4.47Å
97	C	96.5	Very high	95.8	Very high	22 Å²	22	46.8 Å²	46.8	15%	0.149	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-8.8	-177.9	73	0	0	0	0	115.3	K99 H113	C97-K99 PolarHBondContact O-N 2.7Å; C97-H113 PolarHBondContact SG-NE2 3.44Å; C97-H113 VanDerWaalsContact SG-NE2 3.43Å
98	G	95.8	Very high	95.9	Very high	15 Å²	15	46.9 Å²	46.9	16%	0.155	25%	0.254	C	S	.	.			trans	78.5	-5.5	178.9	0	0	0	0	0	115.6	C94 Y100	C94-G98 VanDerWaalsContact O-CA 3.29Å; C94-G98 WeakPolarHBondContact O-CA 3.49Å; C94-G98 PolarHBondContact O-N 3.39Å; G98-Y100 WeakPolarHBondContact O-CE1 3.31Å
99	K	96.9	Very high	96.1	Very high	123 Å²	123	44.5 Å²	44.5	54%	0.535	24%	0.243	S	C	.	.			trans	-74.4	155.7	178.7	-63.3	178.9	-177	175.7	0	112.1	C94 C97 F101	C94-K99 PolarHBondContact N-O 3.31Å; C97-K99 PolarHBondContact O-N 2.7Å; K99-F101 HydrophobicContact CB-CD2 4.49Å; K99-F101 HydrophobicContact CB-CE2 3.57Å; K99-F101 HydrophobicContact CB-CZ 3.73Å; K99-F101 HydrophobicContact CD-CZ 4.15Å
100	Y	97.7	Very high	96.3	Very high	12 Å²	12	38.9 Å²	38.9	5%	0.047	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	133	-176.5	-62.3	-9.7	0	0	0	111.4	D75 F76 E79 K80 L81 C82 S83 V91 Y92 A93 G98 L125	D75-Y100 PolarHBondContact O-OH 2.79Å; F76-Y100 WeakPolarHBondContact CA-OH 3.23Å; F76-Y100 HydrophobicContact CD1-CE1 4.36Å; E79-Y100 WeakPolarHBondContact O-CD2 3.4Å; E79-Y100 WeakPolarHBondContact O-CE2 3.48Å; K80-Y100 HydrophobicContact CD-CE2 4Å; K80-Y100 PolarHBondContact NZ-OH 2.86Å; K80-Y100 VanDerWaalsContact NZ-OH 3.12Å; L81-Y100 WeakPolarHBondContact O-CB 2.97Å; C82-Y100 WeakPolarHBondContact CA-O 3.44Å; S83-Y100 PolarHBondContact N-O 3Å; S83-Y100 PolarHBondContact OG-O 3.26Å; V91-Y100 HydrophobicContact CG1-CG 4.4Å; Y92-Y100 CarbonylContact O-C 3.55Å; Y92-Y100 WeakPolarHBondContact O-CA 3.39Å; A93-Y100 HydrophobicContact CB-CD1 3.74Å; A93-Y100 HydrophobicContact CB-CE1 3.83Å; G98-Y100 WeakPolarHBondContact O-CE1 3.31Å; Y100-L125 HydrophobicContact CD1-CD1 4.05Å; Y100-L125 HydrophobicContact CD2-CD1 4.03Å; Y100-L125 HydrophobicContact CE1-CD1 4.26Å; Y100-L125 HydrophobicContact CE2-CD1 4.19Å; Y100-L125 HydrophobicContact CG-CD1 3.96Å
101	F	98	Very high	96.4	Very high	14 Å²	14	37.3 Å²	37.3	6%	0.061	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	144.5	-176.6	-60	-79.8	0	0	0	111.7	V84 Y92 C94 K99 H109 A110 H113 F122	V84-F101 HydrophobicContact CG2-CD1 4.18Å; V84-F101 HydrophobicContact CG2-CE1 4.16Å; Y92-F101 PolarHBondContact N-O 3.41Å; Y92-F101 PolarHBondContact O-N 2.65Å; C94-F101 HydrophobicContact CB-CD2 4.25Å; C94-F101 HydrophobicContact CB-CE2 4.04Å; K99-F101 HydrophobicContact CB-CD2 4.49Å; K99-F101 HydrophobicContact CB-CE2 3.57Å; K99-F101 HydrophobicContact CB-CZ 3.73Å; K99-F101 HydrophobicContact CD-CZ 4.15Å; F101-H109 HydrophobicContact CB-CB 4.16Å; F101-H109 HydrophobicContact CD1-CB 4.17Å; F101-A110 HydrophobicContact CB-CB 3.7Å; F101-H113 HydrophobicContact CD1-CB 4.2Å; F101-H113 HydrophobicContact CD2-CB 4.23Å; F101-H113 AromaticContact CD2-CD2 3.72Å; F101-H113 AromaticContact CD2-CG 3.95Å; F101-H113 HydrophobicContact CE1-CB 4.09Å; F101-H113 AromaticContact CE1-CG 3.94Å; F101-H113 AromaticContact CE1-ND1 3.95Å; F101-H113 HydrophobicContact CE2-CB 4.12Å; F101-H113 AromaticContact CE2-CD2 3.18Å; F101-H113 WeakPolarHBondContact CE2-CD2 3.37Å; F101-H113 AromaticContact CE2-CE1 3.64Å; F101-H113 AromaticContact CE2-CG 3.41Å; F101-H113 VanDerWaalsContact CE2-CG 3.41Å; F101-H113 AromaticContact CE2-ND1 3.71Å; F101-H113 AromaticContact CE2-NE2 3.33Å; F101-H113 VanDerWaalsContact CE2-NE2 3.33Å; F101-H113 WeakPolarHBondContact CE2-NE2 3.38Å; F101-H113 HydrophobicContact CG-CB 4.26Å; F101-H113 HydrophobicContact CZ-CB 4.05Å; F101-H113 AromaticContact CZ-CD2 3.66Å; F101-H113 AromaticContact CZ-CE1 3.46Å; F101-H113 VanDerWaalsContact CZ-CE1 3.46Å; F101-H113 WeakPolarHBondContact CZ-CE1 3.08Å; F101-H113 AromaticContact CZ-CG 3.41Å; F101-H113 VanDerWaalsContact CZ-CG 3.41Å; F101-H113 AromaticContact CZ-ND1 3.3Å; F101-H113 VanDerWaalsContact CZ-ND1 3.3Å; F101-H113 WeakPolarHBondContact CZ-ND1 3.5Å; F101-H113 AromaticContact CZ-NE2 3.68Å; F101-F122 HydrophobicContact CD2-CE1 4.22Å
102	Q	97.5	Very high	96.4	Very high	53 Å²	53	40.5 Å²	40.5	25%	0.248	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	138	178.9	178.7	174	17.1	0	0	111.2	C82 S85 S87 L89 T108 H109 A110	C82-Q102 HydrophobicContact CB-CB 3.73Å; C82-Q102 PolarHBondContact SG-N 2.92Å; S85-Q102 PolarHBondContact OG-OE1 2.9Å; S87-Q102 VanDerWaalsContact CB-OE1 3.28Å; S87-Q102 PolarHBondContact OG-NE2 2.87Å; S87-Q102 VanDerWaalsContact OG-NE2 3.14Å; L89-Q102 WeakPolarHBondContact O-CG 3.46Å; Q102-T108 VanDerWaalsContact O-CB 3.23Å; Q102-T108 WeakPolarHBondContact O-CB 3.42Å; Q102-T108 PolarHBondContact O-OG1 3.06Å; Q102-H109 PolarHBondContact O-N 2.99Å; Q102-H109 VanDerWaalsContact O-N 3.07Å; Q102-A110 PolarHBondContact O-N 2.86Å
103	G	95.4	Very high	96.4	Very high	9 Å²	9	40.9 Å²	40.9	9%	0.093	22%	0.223	C	C	.	.			trans	66.5	166.6	165.9	0	0	0	0	0	114.9	N90 T108 A110	N90-G103 PolarHBondContact O-N 3.39Å; G103-T108 PolarHBondContact O-OG1 3.04Å; G103-A110 WeakPolarHBondContact O-CB 3.35Å
104	R	94.3	Very high	96.3	Very high	101 Å²	101	40.9 Å²	40.9	38%	0.381	22%	0.223	S	C	.	.	S	Bend	trans	-117.8	-10.9	178.1	58.7	169.8	173.2	171.6	2.3	115.8	Y92 T108 L133 D136	Y92-R104 HydrophobicContact CE1-CB 4.29Å; Y92-R104 HydrophobicContact CE2-CB 4.26Å; Y92-R104 WeakPolarHBondContact OH-CD 3.39Å; R104-T108 PolarHBondContact N-OG1 2.75Å; R104-L133 HydrophobicContact CB-CD1 4.26Å; R104-L133 HydrophobicContact CB-CD2 4.06Å; R104-D136 WeakPolarHBondContact CD-OD1 3.27Å; R104-D136 IonicContact NH1-OD1 3.14Å
105	G	93.7	Very high	96.2	Very high	30 Å²	30	44.9 Å²	44.9	31%	0.309	25%	0.247	S	C	.	.	S	Bend	trans	-74	168.4	-177.8	0	0	0	0	0	113.3	S107 T108 Y111	G105-S107 PolarHBondContact O-N 2.88Å; G105-T108 PolarHBondContact N-OG1 2.59Å; G105-T108 WeakPolarHBondContact O-CB 3.33Å; G105-T108 WeakPolarHBondContact O-CG2 3.49Å; G105-T108 PolarHBondContact O-N 2.65Å; G105-T108 PolarHBondContact O-OG1 3.4Å; G105-Y111 WeakPolarHBondContact O-CB 3.36Å
106	N	91.7	Very high	96.2	Very high	124 Å²	124	48.8 Å²	48.8	66%	0.663	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-25	-170.5	-61.2	2.5	0	0	0	115.3	Y111	N106-Y111 HydrophobicContact CB-CE1 4.37Å; N106-Y111 VanDerWaalsContact O-CD1 3.31Å; N106-Y111 WeakPolarHBondContact O-CD1 3.49Å; N106-Y111 WeakPolarHBondContact OD1-CE2 3.47Å
107	S	92.1	Very high	96.1	Very high	116 Å²	116	53.7 Å²	53.7	81%	0.811	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	4.4	179.3	57.4	0	0	0	0	114	G105	G105-S107 PolarHBondContact O-N 2.88Å
108	T	96.2	Very high	96.1	Very high	28 Å²	28	56.6 Å²	56.6	17%	0.172	32%	0.317	C	S	.	.	S	Bend	trans	-94.4	160.9	-172.9	76.9	0	0	0	0	112.4	Q102 G103 R104 G105 A110 Y111 T112	Q102-T108 VanDerWaalsContact O-CB 3.23Å; Q102-T108 WeakPolarHBondContact O-CB 3.42Å; Q102-T108 PolarHBondContact O-OG1 3.06Å; G103-T108 PolarHBondContact O-OG1 3.04Å; R104-T108 PolarHBondContact N-OG1 2.75Å; G105-T108 PolarHBondContact N-OG1 2.59Å; G105-T108 WeakPolarHBondContact O-CB 3.33Å; G105-T108 WeakPolarHBondContact O-CG2 3.49Å; G105-T108 PolarHBondContact O-N 2.65Å; G105-T108 PolarHBondContact O-OG1 3.4Å; T108-A110 VanDerWaalsContact C-N 3.33Å; T108-A110 PolarHBondContact O-N 2.91Å; T108-Y111 PolarHBondContact O-N 2.74Å; T108-T112 WeakPolarHBondContact O-CG2 3.4Å; T108-T112 PolarHBondContact O-N 3.39Å; T108-T112 PolarHBondContact O-OG1 2.88Å
109	H	97.4	Very high	96.1	Very high	58 Å²	58	57 Å²	57	27%	0.269	32%	0.315	S	S	.	.	H	α-helix	trans	-64.6	-35.9	-176.7	-64.3	-48.4	0	0	0	112.8	F101 Q102 T112 H113	F101-H109 HydrophobicContact CB-CB 4.16Å; F101-H109 HydrophobicContact CD1-CB 4.17Å; Q102-H109 PolarHBondContact O-N 2.99Å; Q102-H109 VanDerWaalsContact O-N 3.07Å; H109-T112 WeakPolarHBondContact CA-OG1 3.29Å; H109-T112 PolarHBondContact O-N 2.77Å; H109-T112 PolarHBondContact O-OG1 2.75Å; H109-H113 VanDerWaalsContact O-CB 3.27Å; H109-H113 WeakPolarHBondContact O-CB 3.43Å; H109-H113 PolarHBondContact O-N 3.26Å
110	A	97.5	Very high	96.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-68.2	-39.4	179	0	0	0	0	0	111.8	F101 Q102 G103 T108 H113 S114 F122 L133	F101-A110 HydrophobicContact CB-CB 3.7Å; Q102-A110 PolarHBondContact O-N 2.86Å; G103-A110 WeakPolarHBondContact O-CB 3.35Å; T108-A110 VanDerWaalsContact C-N 3.33Å; T108-A110 PolarHBondContact O-N 2.91Å; A110-H113 PolarHBondContact O-N 2.86Å; A110-S114 PolarHBondContact O-N 2.82Å; A110-F122 HydrophobicContact CB-CD1 4.08Å; A110-F122 HydrophobicContact CB-CE1 3.9Å; A110-F122 HydrophobicContact CB-CZ 4.46Å; A110-F122 WeakPolarHBondContact O-CZ 3.4Å; A110-L133 HydrophobicContact CB-CD1 3.79Å
111	Y	97.6	Very high	96.1	Very high	56 Å²	56	52.2 Å²	52.2	22%	0.22	30%	0.295	C	S	.	.	H	α-helix	trans	-63.7	-47.4	174.9	-172.4	-81.8	0	0	0	111.4	G105 N106 T108 H113 S114 V115 P134	G105-Y111 WeakPolarHBondContact O-CB 3.36Å; N106-Y111 HydrophobicContact CB-CE1 4.37Å; N106-Y111 VanDerWaalsContact O-CD1 3.31Å; N106-Y111 WeakPolarHBondContact O-CD1 3.49Å; N106-Y111 WeakPolarHBondContact OD1-CE2 3.47Å; T108-Y111 PolarHBondContact O-N 2.74Å; Y111-H113 VanDerWaalsContact C-N 3.28Å; Y111-H113 PolarHBondContact O-N 3.4Å; Y111-S114 PolarHBondContact O-N 2.78Å; Y111-S114 PolarHBondContact O-OG 2.76Å; Y111-V115 HydrophobicContact CD1-CG2 4.36Å; Y111-V115 HydrophobicContact CE1-CG2 4.04Å; Y111-V115 PolarHBondContact O-N 2.92Å; Y111-P134 HydrophobicContact CD2-CB 4.15Å; Y111-P134 HydrophobicContact CE1-CB 4.42Å; Y111-P134 HydrophobicContact CE2-CB 3.52Å
112	T	97.3	Very high	96.1	Very high	73 Å²	73	51.5 Å²	51.5	45%	0.448	29%	0.292	S	S	.	.	H	α-helix	trans	-61.1	-39.2	176.8	58.4	0	0	0	0	112	T108 H109 V115 S116	T108-T112 WeakPolarHBondContact O-CG2 3.4Å; T108-T112 PolarHBondContact O-N 3.39Å; T108-T112 PolarHBondContact O-OG1 2.88Å; H109-T112 WeakPolarHBondContact CA-OG1 3.29Å; H109-T112 PolarHBondContact O-N 2.77Å; H109-T112 PolarHBondContact O-OG1 2.75Å; T112-V115 PolarHBondContact O-N 2.97Å; T112-S116 VanDerWaalsContact O-CB 3.27Å; T112-S116 WeakPolarHBondContact O-CB 3.42Å; T112-S116 PolarHBondContact O-N 3.29Å; T112-S116 PolarHBondContact O-OG 2.89Å; T112-S116 VanDerWaalsContact O-OG 3.11Å
113	H	97.5	Very high	96.2	Very high	15 Å²	15	49 Å²	49	7%	0.069	28%	0.28	C	S	.	.	H	α-helix	trans	-66.4	-38.4	177.2	-178.6	67.2	0	0	0	112.5	C97 F101 H109 A110 Y111 V115 S116 E117 H119 F122	C97-H113 PolarHBondContact SG-NE2 3.44Å; C97-H113 VanDerWaalsContact SG-NE2 3.43Å; F101-H113 HydrophobicContact CD1-CB 4.2Å; F101-H113 HydrophobicContact CD2-CB 4.23Å; F101-H113 AromaticContact CD2-CD2 3.72Å; F101-H113 AromaticContact CD2-CG 3.95Å; F101-H113 HydrophobicContact CE1-CB 4.09Å; F101-H113 AromaticContact CE1-CG 3.94Å; F101-H113 AromaticContact CE1-ND1 3.95Å; F101-H113 HydrophobicContact CE2-CB 4.12Å; F101-H113 AromaticContact CE2-CD2 3.18Å; F101-H113 WeakPolarHBondContact CE2-CD2 3.37Å; F101-H113 AromaticContact CE2-CE1 3.64Å; F101-H113 AromaticContact CE2-CG 3.41Å; F101-H113 VanDerWaalsContact CE2-CG 3.41Å; F101-H113 AromaticContact CE2-ND1 3.71Å; F101-H113 AromaticContact CE2-NE2 3.33Å; F101-H113 VanDerWaalsContact CE2-NE2 3.33Å; F101-H113 WeakPolarHBondContact CE2-NE2 3.38Å; F101-H113 HydrophobicContact CG-CB 4.26Å; F101-H113 HydrophobicContact CZ-CB 4.05Å; F101-H113 AromaticContact CZ-CD2 3.66Å; F101-H113 AromaticContact CZ-CE1 3.46Å; F101-H113 VanDerWaalsContact CZ-CE1 3.46Å; F101-H113 WeakPolarHBondContact CZ-CE1 3.08Å; F101-H113 AromaticContact CZ-CG 3.41Å; F101-H113 VanDerWaalsContact CZ-CG 3.41Å; F101-H113 AromaticContact CZ-ND1 3.3Å; F101-H113 VanDerWaalsContact CZ-ND1 3.3Å; F101-H113 WeakPolarHBondContact CZ-ND1 3.5Å; F101-H113 AromaticContact CZ-NE2 3.68Å; H109-H113 VanDerWaalsContact O-CB 3.27Å; H109-H113 WeakPolarHBondContact O-CB 3.43Å; H109-H113 PolarHBondContact O-N 3.26Å; A110-H113 PolarHBondContact O-N 2.86Å; Y111-H113 VanDerWaalsContact C-N 3.28Å; Y111-H113 PolarHBondContact O-N 3.4Å; H113-V115 VanDerWaalsContact C-N 3.32Å; H113-V115 PolarHBondContact O-N 3.14Å; H113-S116 PolarHBondContact O-N 2.99Å; H113-S116 PolarHBondContact O-OG 3.2Å; H113-E117 VanDerWaalsContact CE1-CG 3.46Å; H113-E117 WeakPolarHBondContact CE1-CG 3.26Å; H113-E117 WeakPolarHBondContact ND1-CG 3.37Å; H113-E117 WeakPolarHBondContact O-CB 3.47Å; H113-E117 PolarHBondContact O-N 3.42Å; H113-H119 AromaticContact CD2-ND1 3.99Å; H113-H119 AromaticContact CE1-ND1 3.46Å; H113-H119 PolarHBondContact CE1-ND1 3.41Å; H113-H119 AromaticContact NE2-CE1 3.98Å; H113-H119 AromaticContact NE2-CG 3.84Å; H113-H119 AromaticContact NE2-ND1 2.98Å; H113-H119 PolarHBondContact NE2-ND1 3.4Å; H113-F122 AromaticContact CD2-CE1 3.95Å; H113-F122 AromaticContact CD2-CZ 3.89Å
114	S	97.3	Very high	96.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64	-41	179.9	73.3	0	0	0	0	111.6	A110 Y111 S118 H119 L133	A110-S114 PolarHBondContact O-N 2.82Å; Y111-S114 PolarHBondContact O-N 2.78Å; Y111-S114 PolarHBondContact O-OG 2.76Å; S114-S118 WeakPolarHBondContact O-CA 3.29Å; S114-S118 PolarHBondContact O-N 2.96Å; S114-S118 VanDerWaalsContact O-N 3.16Å; S114-H119 WeakPolarHBondContact CA-O 3.42Å; S114-H119 VanDerWaalsContact CB-O 3.24Å; S114-H119 WeakPolarHBondContact CB-O 3.37Å; S114-H119 PolarHBondContact O-N 2.84Å; S114-L133 WeakPolarHBondContact CB-O 3.4Å; S114-L133 WeakPolarHBondContact OG-CB 3.2Å
115	V	96.1	Very high	96.3	Very high	84 Å²	84	45 Å²	45	51%	0.509	26%	0.264	S	S	.	.	H	α-helix	trans	-75	-42.8	177.8	-178.8	0	0	0	0	111.6	Y111 T112 H113 P134	Y111-V115 HydrophobicContact CD1-CG2 4.36Å; Y111-V115 HydrophobicContact CE1-CG2 4.04Å; Y111-V115 PolarHBondContact O-N 2.92Å; T112-V115 PolarHBondContact O-N 2.97Å; H113-V115 VanDerWaalsContact C-N 3.32Å; H113-V115 PolarHBondContact O-N 3.14Å; V115-P134 HydrophobicContact CG2-CB 3.87Å; V115-P134 HydrophobicContact CG2-CG 4.07Å
116	S	96.1	Very high	96.3	Very high	81 Å²	81	50.3 Å²	50.3	57%	0.566	28%	0.281	S	S	*	.	H	α-helix	trans	-73.1	-40.3	-173.7	71.3	0	0	0	0	113.5	T112 H113	T112-S116 VanDerWaalsContact O-CB 3.27Å; T112-S116 WeakPolarHBondContact O-CB 3.42Å; T112-S116 PolarHBondContact O-N 3.29Å; T112-S116 PolarHBondContact O-OG 2.89Å; T112-S116 VanDerWaalsContact O-OG 3.11Å; H113-S116 PolarHBondContact O-N 2.99Å; H113-S116 PolarHBondContact O-OG 3.2Å
117	E	95.8	Very high	96.4	Very high	114 Å²	114	47.5 Å²	47.5	53%	0.533	27%	0.268	S	S	.	.	H	α-helix	trans	-102.4	0.1	-176.8	-57.8	-65.9	144.3	0	0	112.7	H113 H119	H113-E117 VanDerWaalsContact CE1-CG 3.46Å; H113-E117 WeakPolarHBondContact CE1-CG 3.26Å; H113-E117 WeakPolarHBondContact ND1-CG 3.37Å; H113-E117 WeakPolarHBondContact O-CB 3.47Å; H113-E117 PolarHBondContact O-N 3.42Å; E117-H119 HydrophobicContact CB-CB 4.47Å; E117-H119 PolarHBondContact O-CD2 3.38Å; E117-H119 VanDerWaalsContact O-CD2 3.3Å; E117-H119 PolarHBondContact O-N 2.85Å
118	S	95.8	Very high	96.6	Very high	82 Å²	82	47.6 Å²	47.6	57%	0.573	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	39.3	-173.5	-55.6	0	0	0	0	112.8	S114 H120	S114-S118 WeakPolarHBondContact O-CA 3.29Å; S114-S118 PolarHBondContact O-N 2.96Å; S114-S118 VanDerWaalsContact O-N 3.16Å; S118-H120 PolarHBondContact O-CE1 3.05Å
119	H	97.5	Very high	96.6	Very high	25 Å²	25	50.6 Å²	50.6	12%	0.116	26%	0.259	C	S	.	.			trans	-105.6	100	179.7	-75	172.7	0	0	0	109.8	C94 I96 H113 S114 E117 F122	C94-H119 VanDerWaalsContact SG-CB 3.6Å; I96-H119 HydrophobicContact CB-CB 4.28Å; I96-H119 HydrophobicContact CD1-CB 4.05Å; I96-H119 HydrophobicContact CG1-CB 4.4Å; I96-H119 WeakPolarHBondContact CG2-CD2 3.31Å; I96-H119 WeakPolarHBondContact CG2-NE2 3.34Å; H113-H119 AromaticContact CD2-ND1 3.99Å; H113-H119 AromaticContact CE1-ND1 3.46Å; H113-H119 PolarHBondContact CE1-ND1 3.41Å; H113-H119 AromaticContact NE2-CE1 3.98Å; H113-H119 AromaticContact NE2-CG 3.84Å; H113-H119 AromaticContact NE2-ND1 2.98Å; H113-H119 PolarHBondContact NE2-ND1 3.4Å; S114-H119 WeakPolarHBondContact CA-O 3.42Å; S114-H119 VanDerWaalsContact CB-O 3.24Å; S114-H119 WeakPolarHBondContact CB-O 3.37Å; S114-H119 PolarHBondContact O-N 2.84Å; E117-H119 HydrophobicContact CB-CB 4.47Å; E117-H119 PolarHBondContact O-CD2 3.38Å; E117-H119 VanDerWaalsContact O-CD2 3.3Å; E117-H119 PolarHBondContact O-N 2.85Å; H119-F122 WeakPolarHBondContact O-CE2 2.98Å; H119-F122 VanDerWaalsContact O-CZ 3.28Å; H119-F122 WeakPolarHBondContact O-CZ 3.47Å
120	H	97.2	Very high	96.6	Very high	33 Å²	33	48.5 Å²	48.5	15%	0.153	25%	0.249	C	C	.	.			trans	-94.7	-17.7	-164.8	-53.4	117.3	0	0	0	115.6	Y65 S118 C132 L133	Y65-H120 HydrophobicContact CD1-CB 4.26Å; Y65-H120 AromaticContact CD1-ND1 3.38Å; Y65-H120 WeakPolarHBondContact CD1-ND1 3.48Å; Y65-H120 HydrophobicContact CD2-CB 3.71Å; Y65-H120 AromaticContact CE1-CE1 3.91Å; Y65-H120 AromaticContact CE1-ND1 3.37Å; Y65-H120 WeakPolarHBondContact CE1-ND1 3.4Å; Y65-H120 HydrophobicContact CE2-CB 4.09Å; Y65-H120 HydrophobicContact CG-CB 3.79Å; Y65-H120 AromaticContact CG-ND1 3.85Å; Y65-H120 AromaticContact CZ-ND1 3.82Å; S118-H120 PolarHBondContact O-CE1 3.05Å; H120-C132 CarbonylContact O-C 3.34Å; H120-C132 VanDerWaalsContact O-CA 3.26Å; H120-C132 WeakPolarHBondContact O-CA 3.35Å; H120-L133 WeakPolarHBondContact CA-O 3.42Å; H120-L133 VanDerWaalsContact CB-O 3.28Å; H120-L133 WeakPolarHBondContact CB-O 3.47Å; H120-L133 PolarHBondContact CD2-O 3.08Å; H120-L133 VanDerWaalsContact CD2-O 3.27Å; H120-L133 PolarHBondContact O-N 2.78Å
121	V	97.4	Very high	96.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	125.3	-172	-168.5	0	0	0	0	111.5	Y65 I69 L95 I96 I139	Y65-V121 WeakPolarHBondContact O-CG2 3.28Å; I69-V121 HydrophobicContact CD1-CG1 4.03Å; I69-V121 HydrophobicContact CG1-CB 4.29Å; I69-V121 HydrophobicContact CG1-CG1 4.24Å; I69-V121 HydrophobicContact CG1-CG2 4.38Å; L95-V121 HydrophobicContact CB-CB 4.33Å; L95-V121 HydrophobicContact CB-CG1 4.31Å; L95-V121 HydrophobicContact CD1-CG1 3.69Å; L95-V121 HydrophobicContact CG-CG1 4.19Å; L95-V121 PolarHBondContact N-O 2.93Å; I96-V121 HydrophobicContact CD1-CB 4.01Å; I96-V121 HydrophobicContact CD1-CG2 4.47Å; V121-I139 HydrophobicContact CG1-CD1 3.77Å
122	F	98.1	Very high	96.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	151.4	-178	-64.9	-97.3	0	0	0	112.2	Y92 A93 C94 F101 A110 H113 H119 F130 Y131 L133	Y92-F122 HydrophobicContact CD1-CB 4.1Å; A93-F122 CarbonylContact O-C 3.54Å; A93-F122 VanDerWaalsContact O-CA 3.28Å; A93-F122 WeakPolarHBondContact O-CA 3.39Å; C94-F122 HydrophobicContact CB-CD1 4.1Å; C94-F122 HydrophobicContact CB-CE1 3.79Å; F101-F122 HydrophobicContact CD2-CE1 4.22Å; A110-F122 HydrophobicContact CB-CD1 4.08Å; A110-F122 HydrophobicContact CB-CE1 3.9Å; A110-F122 HydrophobicContact CB-CZ 4.46Å; A110-F122 WeakPolarHBondContact O-CZ 3.4Å; H113-F122 AromaticContact CD2-CE1 3.95Å; H113-F122 AromaticContact CD2-CZ 3.89Å; H119-F122 WeakPolarHBondContact O-CE2 2.98Å; H119-F122 VanDerWaalsContact O-CZ 3.28Å; H119-F122 WeakPolarHBondContact O-CZ 3.47Å; F122-F130 CarbonylContact O-C 3.53Å; F122-F130 VanDerWaalsContact O-CA 3.28Å; F122-F130 WeakPolarHBondContact O-CA 3.47Å; F122-Y131 PolarHBondContact N-O 3.31Å; F122-Y131 PolarHBondContact O-N 3.34Å; F122-L133 HydrophobicContact CD2-CB 3.89Å; F122-L133 HydrophobicContact CD2-CD1 3.73Å; F122-L133 HydrophobicContact CD2-CG 3.85Å; F122-L133 HydrophobicContact CE2-CB 3.78Å; F122-L133 HydrophobicContact CE2-CD1 3.95Å; F122-L133 HydrophobicContact CE2-CG 4.18Å; F122-L133 HydrophobicContact CG-CD1 4.08Å; F122-L133 HydrophobicContact CZ-CD1 4.46Å
123	L	97.8	Very high	96.6	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	122.9	172.3	168.3	62.3	0	0	0	109.4	F76 Y92 A93 L95 L125 F130 I147 L151	F76-L123 HydrophobicContact CE1-CD2 4.39Å; F76-L123 HydrophobicContact CZ-CD2 3.94Å; Y92-L123 CarbonylContact C-O 3.48Å; Y92-L123 VanDerWaalsContact CA-O 3.22Å; Y92-L123 WeakPolarHBondContact CA-O 3.39Å; A93-L123 PolarHBondContact N-O 2.72Å; A93-L123 PolarHBondContact O-N 2.69Å; L95-L123 HydrophobicContact CD2-CB 3.85Å; L95-L123 HydrophobicContact CG-CB 4.44Å; L123-L125 PolarHBondContact O-N 2.71Å; L123-F130 HydrophobicContact CB-CD1 3.95Å; L123-F130 HydrophobicContact CB-CE1 3.95Å; L123-F130 HydrophobicContact CD1-CD1 3.92Å; L123-F130 HydrophobicContact CD1-CE1 3.71Å; L123-F130 HydrophobicContact CD1-CE2 4.42Å; L123-F130 HydrophobicContact CD1-CG 4.39Å; L123-F130 HydrophobicContact CD1-CZ 3.97Å; L123-F130 HydrophobicContact CD2-CE1 4.15Å; L123-F130 HydrophobicContact CG-CD1 4.45Å; L123-F130 HydrophobicContact CG-CE1 4.15Å; L123-I147 HydrophobicContact CD2-CG2 3.85Å; L123-L151 HydrophobicContact CD2-CD2 3.89Å; L123-L151 HydrophobicContact CG-CD2 4.42Å
124	N	97.3	Very high	96.4	Very high	4 Å²	4	44 Å²	44	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	122	168.5	-175.9	-50.6	0	0	0	109.3	Y92 E126 T127 R128 R129 Y131	Y92-N124 HydrophobicContact CD1-CB 3.98Å; Y92-N124 HydrophobicContact CE1-CB 3.64Å; Y92-N124 PolarHBondContact OH-ND2 2.88Å; N124-E126 VanDerWaalsContact C-N 3.28Å; N124-E126 PolarHBondContact O-N 3.37Å; N124-E126 PolarHBondContact OD1-N 2.87Å; N124-T127 VanDerWaalsContact CB-OG1 3.27Å; N124-T127 WeakPolarHBondContact CB-OG1 3.49Å; N124-T127 PolarHBondContact OD1-N 3.3Å; N124-T127 PolarHBondContact OD1-OG1 3.29Å; N124-R128 WeakPolarHBondContact O-CA 3.4Å; N124-R128 PolarHBondContact O-N 3.46Å; N124-R129 PolarHBondContact N-O 3.13Å; N124-Y131 HydrophobicContact CB-CD2 4.49Å; N124-Y131 HydrophobicContact CB-CE2 4.21Å
125	L	95.5	Very high	96.2	Very high	21 Å²	21	47.3 Å²	47.3	11%	0.11	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-16.6	-172.5	-67.6	169	0	0	0	113.7	F76 K80 V91 A93 Y100 L123 L151	F76-L125 HydrophobicContact CD1-CD2 4.11Å; F76-L125 HydrophobicContact CE1-CD2 4.05Å; K80-L125 HydrophobicContact CB-CD1 4.3Å; K80-L125 HydrophobicContact CD-CB 4.32Å; K80-L125 HydrophobicContact CD-CD1 3.79Å; K80-L125 HydrophobicContact CD-CD2 4.14Å; K80-L125 HydrophobicContact CD-CG 4.3Å; V91-L125 HydrophobicContact CB-CD1 4.06Å; V91-L125 HydrophobicContact CG1-CD1 3.7Å; V91-L125 WeakPolarHBondContact O-CB 3.34Å; V91-L125 PolarHBondContact O-N 3.28Å; A93-L125 HydrophobicContact CB-CD1 4.4Å; A93-L125 HydrophobicContact CB-CD2 3.84Å; A93-L125 HydrophobicContact CB-CG 4.24Å; Y100-L125 HydrophobicContact CD1-CD1 4.05Å; Y100-L125 HydrophobicContact CD2-CD1 4.03Å; Y100-L125 HydrophobicContact CE1-CD1 4.26Å; Y100-L125 HydrophobicContact CE2-CD1 4.19Å; Y100-L125 HydrophobicContact CG-CD1 3.96Å; L123-L125 PolarHBondContact O-N 2.71Å; L125-L151 HydrophobicContact CD2-CD1 3.8Å; L125-L151 HydrophobicContact CD2-CD2 3.94Å
126	E	93.2	Very high	96.1	Very high	143 Å²	143	46.8 Å²	46.8	67%	0.668	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	-54.5	178.8	-176.9	175	-172.4	0	0	111.1	N124 R128	N124-E126 VanDerWaalsContact C-N 3.28Å; N124-E126 PolarHBondContact O-N 3.37Å; N124-E126 PolarHBondContact OD1-N 2.87Å; E126-R128 VanDerWaalsContact C-N 3.3Å; E126-R128 PolarHBondContact O-N 2.99Å
127	T	94.5	Very high	96.1	Very high	64 Å²	64	43.3 Å²	43.3	39%	0.393	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-16.3	-177.8	66.8	0	0	0	0	113	N124 R129	N124-T127 VanDerWaalsContact CB-OG1 3.27Å; N124-T127 WeakPolarHBondContact CB-OG1 3.49Å; N124-T127 PolarHBondContact OD1-N 3.3Å; N124-T127 PolarHBondContact OD1-OG1 3.29Å; T127-R129 PolarHBondContact O-N 2.79Å
128	R	95.5	Very high	96.1	Very high	118 Å²	118	40.3 Å²	40.3	45%	0.445	20%	0.2	S	C	.	.			trans	60.6	26.1	-176.3	-58.1	166.9	-74.9	174.2	-4.3	113.6	N124 E126 L151	N124-R128 WeakPolarHBondContact O-CA 3.4Å; N124-R128 PolarHBondContact O-N 3.46Å; E126-R128 VanDerWaalsContact C-N 3.3Å; E126-R128 PolarHBondContact O-N 2.99Å; R128-L151 HydrophobicContact CG-CD2 4.08Å
129	R	96.9	Very high	96.1	Very high	92 Å²	92	36.6 Å²	36.6	35%	0.347	17%	0.174	S	C	.	.			trans	-99	144.4	177.8	-64.6	176.3	-176.8	-164.3	-4.1	111.2	Y51 N124 T127 Y131 E138	Y51-R129 PolarHBondContact OH-NH1 3.38Å; Y51-R129 PolarHBondContact OH-NH2 3.12Å; N124-R129 PolarHBondContact N-O 3.13Å; T127-R129 PolarHBondContact O-N 2.79Å; R129-Y131 HydrophobicContact CB-CD2 4.48Å; R129-Y131 HydrophobicContact CB-CE2 3.63Å; R129-Y131 WeakPolarHBondContact CD-OH 2.97Å; R129-E138 WeakPolarHBondContact CD-OE1 3.23Å; R129-E138 WeakPolarHBondContact CG-OE1 3.41Å; R129-E138 IonicContact NE-OE1 2.99Å; R129-E138 IonicContact NH1-OE2 2.6Å
130	F	97.6	Very high	96	Very high	14 Å²	14	38.5 Å²	38.5	6%	0.061	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	143.9	-179.7	-61.9	-81.7	0	0	0	110.8	L95 F122 L123 E138 I139 L144 I147 T148	L95-F130 HydrophobicContact CD1-CD1 3.76Å; L95-F130 HydrophobicContact CD1-CE1 3.74Å; F122-F130 CarbonylContact O-C 3.53Å; F122-F130 VanDerWaalsContact O-CA 3.28Å; F122-F130 WeakPolarHBondContact O-CA 3.47Å; L123-F130 HydrophobicContact CB-CD1 3.95Å; L123-F130 HydrophobicContact CB-CE1 3.95Å; L123-F130 HydrophobicContact CD1-CD1 3.92Å; L123-F130 HydrophobicContact CD1-CE1 3.71Å; L123-F130 HydrophobicContact CD1-CE2 4.42Å; L123-F130 HydrophobicContact CD1-CG 4.39Å; L123-F130 HydrophobicContact CD1-CZ 3.97Å; L123-F130 HydrophobicContact CD2-CE1 4.15Å; L123-F130 HydrophobicContact CG-CD1 4.45Å; L123-F130 HydrophobicContact CG-CE1 4.15Å; F130-E138 CarbonylContact O-C 3.48Å; F130-E138 VanDerWaalsContact O-CA 3.32Å; F130-E138 WeakPolarHBondContact O-CA 3.13Å; F130-E138 WeakPolarHBondContact O-CG 3.43Å; F130-I139 HydrophobicContact CB-CB 3.8Å; F130-I139 HydrophobicContact CB-CG2 4.46Å; F130-I139 PolarHBondContact O-N 3.18Å; F130-L144 HydrophobicContact CB-CD1 4.15Å; F130-L144 HydrophobicContact CD1-CD1 3.9Å; F130-L144 HydrophobicContact CD2-CB 4.03Å; F130-L144 HydrophobicContact CD2-CD1 3.78Å; F130-L144 HydrophobicContact CE1-CB 4.02Å; F130-L144 HydrophobicContact CE1-CD1 4.2Å; F130-L144 HydrophobicContact CE2-CB 3.48Å; F130-L144 VanDerWaalsContact CE2-CB 3.48Å; F130-L144 HydrophobicContact CE2-CD1 4.1Å; F130-L144 HydrophobicContact CE2-CG 4.44Å; F130-L144 HydrophobicContact CG-CD1 3.67Å; F130-L144 HydrophobicContact CZ-CB 3.47Å; F130-L144 VanDerWaalsContact CZ-CB 3.47Å; F130-L144 HydrophobicContact CZ-CD1 4.3Å; F130-L144 HydrophobicContact CZ-CG 4.46Å; F130-L144 WeakPolarHBondContact CZ-O 3.46Å; F130-I147 HydrophobicContact CE1-CB 4.34Å; F130-I147 HydrophobicContact CE1-CG2 4.19Å; F130-I147 HydrophobicContact CZ-CB 4.2Å; F130-I147 HydrophobicContact CZ-CG2 4.41Å; F130-T148 HydrophobicContact CE2-CG2 3.33Å; F130-T148 HydrophobicContact CZ-CG2 3.36Å
131	Y	97.5	Very high	95.8	Very high	13 Å²	13	39.6 Å²	39.6	5%	0.051	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	142.8	-179.2	-67.7	-82.9	0	0	0	110.8	Y92 F122 N124 R129 Y137 E138	Y92-Y131 HydrophobicContact CD1-CD2 4.36Å; Y92-Y131 AromaticContact CE1-CD2 3.57Å; Y92-Y131 HydrophobicContact CE1-CD2 3.57Å; Y92-Y131 HydrophobicContact CE1-CE2 4.06Å; Y92-Y131 HydrophobicContact CE1-CG 4.28Å; F122-Y131 PolarHBondContact N-O 3.31Å; F122-Y131 PolarHBondContact O-N 3.34Å; N124-Y131 HydrophobicContact CB-CD2 4.49Å; N124-Y131 HydrophobicContact CB-CE2 4.21Å; R129-Y131 HydrophobicContact CB-CD2 4.48Å; R129-Y131 HydrophobicContact CB-CE2 3.63Å; R129-Y131 WeakPolarHBondContact CD-OH 2.97Å; Y131-Y137 WeakPolarHBondContact CA-O 3.1Å; Y131-E138 HydrophobicContact CD1-CB 4.18Å; Y131-E138 HydrophobicContact CE1-CB 3.8Å; Y131-E138 HydrophobicContact CE1-CG 4.16Å
132	C	97	Very high	95.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	122.5	167.4	-172.9	0	0	0	0	109.2	Y65 H120 D136 Y137 I139	Y65-C132 VanDerWaalsContact CD2-SG 3.52Å; H120-C132 CarbonylContact O-C 3.34Å; H120-C132 VanDerWaalsContact O-CA 3.26Å; H120-C132 WeakPolarHBondContact O-CA 3.35Å; C132-D136 WeakPolarHBondContact O-CA 3.42Å; C132-D136 PolarHBondContact O-N 2.91Å; C132-Y137 HydrophobicContact CB-CD1 3.85Å; C132-Y137 HydrophobicContact CB-CD2 4.11Å; C132-Y137 HydrophobicContact CB-CE1 3.38Å; C132-Y137 HydrophobicContact CB-CE2 3.68Å; C132-Y137 HydrophobicContact CB-CG 4.19Å; C132-Y137 PolarHBondContact N-O 2.9Å; C132-Y137 PolarHBondContact O-N 3.41Å; C132-Y137 VanDerWaalsContact SG-CE1 3.59Å; C132-Y137 PolarHBondContact SG-OH 2.99Å; C132-Y137 VanDerWaalsContact SG-OH 3.4Å; C132-I139 HydrophobicContact CB-CD1 4Å; C132-I139 HydrophobicContact CB-CG1 4.19Å
133	L	96.6	Very high	95.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	144.1	172.4	-58.8	178.3	0	0	0	108.8	R104 A110 S114 H120 F122 D136	R104-L133 HydrophobicContact CB-CD1 4.26Å; R104-L133 HydrophobicContact CB-CD2 4.06Å; A110-L133 HydrophobicContact CB-CD1 3.79Å; S114-L133 WeakPolarHBondContact CB-O 3.4Å; S114-L133 WeakPolarHBondContact OG-CB 3.2Å; H120-L133 WeakPolarHBondContact CA-O 3.42Å; H120-L133 VanDerWaalsContact CB-O 3.28Å; H120-L133 WeakPolarHBondContact CB-O 3.47Å; H120-L133 PolarHBondContact CD2-O 3.08Å; H120-L133 VanDerWaalsContact CD2-O 3.27Å; H120-L133 PolarHBondContact O-N 2.78Å; F122-L133 HydrophobicContact CD2-CB 3.89Å; F122-L133 HydrophobicContact CD2-CD1 3.73Å; F122-L133 HydrophobicContact CD2-CG 3.85Å; F122-L133 HydrophobicContact CE2-CB 3.78Å; F122-L133 HydrophobicContact CE2-CD1 3.95Å; F122-L133 HydrophobicContact CE2-CG 4.18Å; F122-L133 HydrophobicContact CG-CD1 4.08Å; F122-L133 HydrophobicContact CZ-CD1 4.46Å; L133-D136 HydrophobicContact CD2-CB 4.2Å
134	P	94.8	Very high	95.1	Very high	37 Å²	37	45 Å²	45	24%	0.24	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	cis	-83.2	-4	9.2	34.2	-37.2	0	0	0	115.3	Y111 V115 D136	Y111-P134 HydrophobicContact CD2-CB 4.15Å; Y111-P134 HydrophobicContact CE1-CB 4.42Å; Y111-P134 HydrophobicContact CE2-CB 3.52Å; V115-P134 HydrophobicContact CG2-CB 3.87Å; V115-P134 HydrophobicContact CG2-CG 4.07Å; P134-D136 PolarHBondContact O-N 3.27Å
135	D	92.7	Very high	95	Very high	69 Å²	69	50.6 Å²	50.6	37%	0.369	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-14.8	-173.2	-64.9	-24.1	0	0	0	115.2	Y137	D135-Y137 HydrophobicContact CB-CD1 3.65Å; D135-Y137 HydrophobicContact CB-CE1 3.6Å
136	D	93.9	Very high	94.9	Very high	73 Å²	73	51.5 Å²	51.5	39%	0.39	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	56.5	177.9	-161.9	29	0	0	0	115.8	R104 C132 L133 P134	R104-D136 WeakPolarHBondContact CD-OD1 3.27Å; R104-D136 IonicContact NH1-OD1 3.14Å; C132-D136 WeakPolarHBondContact O-CA 3.42Å; C132-D136 PolarHBondContact O-N 2.91Å; L133-D136 HydrophobicContact CD2-CB 4.2Å; P134-D136 PolarHBondContact O-N 3.27Å
137	Y	95	Very high	95.1	Very high	8 Å²	8	44.7 Å²	44.7	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	149.8	167.7	64.2	-90.4	0	0	0	111.8	R59 C63 P64 Y131 C132 D135 I139	R59-Y137 HydrophobicContact CB-CD1 4.27Å; R59-Y137 HydrophobicContact CB-CD2 3.93Å; R59-Y137 HydrophobicContact CB-CE1 4.09Å; R59-Y137 HydrophobicContact CB-CE2 3.74Å; R59-Y137 HydrophobicContact CB-CG 4.19Å; R59-Y137 WeakPolarHBondContact O-CE2 3.24Å; C63-Y137 HydrophobicContact CB-CE2 4.1Å; C63-Y137 PolarHBondContact SG-OH 2.83Å; P64-Y137 WeakPolarHBondContact CD-OH 3.3Å; Y131-Y137 WeakPolarHBondContact CA-O 3.1Å; C132-Y137 HydrophobicContact CB-CD1 3.85Å; C132-Y137 HydrophobicContact CB-CD2 4.11Å; C132-Y137 HydrophobicContact CB-CE1 3.38Å; C132-Y137 HydrophobicContact CB-CE2 3.68Å; C132-Y137 HydrophobicContact CB-CG 4.19Å; C132-Y137 PolarHBondContact N-O 2.9Å; C132-Y137 PolarHBondContact O-N 3.41Å; C132-Y137 VanDerWaalsContact SG-CE1 3.59Å; C132-Y137 PolarHBondContact SG-OH 2.99Å; C132-Y137 VanDerWaalsContact SG-OH 3.4Å; D135-Y137 HydrophobicContact CB-CD1 3.65Å; D135-Y137 HydrophobicContact CB-CE1 3.6Å; Y137-I139 HydrophobicContact CD2-CG1 4.4Å; Y137-I139 HydrophobicContact CE2-CG1 4.06Å
138	E	96.8	Very high	95.1	Very high	50 Å²	50	43.3 Å²	43.3	23%	0.234	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	136.5	175.7	-174.1	166.4	170.7	0	0	110	S60 R129 F130 Y131 L140	S60-E138 WeakPolarHBondContact CA-O 3.48Å; S60-E138 WeakPolarHBondContact CB-O 3.42Å; S60-E138 PolarHBondContact OG-O 2.75Å; R129-E138 WeakPolarHBondContact CD-OE1 3.23Å; R129-E138 WeakPolarHBondContact CG-OE1 3.41Å; R129-E138 IonicContact NE-OE1 2.99Å; R129-E138 IonicContact NH1-OE2 2.6Å; F130-E138 CarbonylContact O-C 3.48Å; F130-E138 VanDerWaalsContact O-CA 3.32Å; F130-E138 WeakPolarHBondContact O-CA 3.13Å; F130-E138 WeakPolarHBondContact O-CG 3.43Å; Y131-E138 HydrophobicContact CD1-CB 4.18Å; Y131-E138 HydrophobicContact CE1-CB 3.8Å; Y131-E138 HydrophobicContact CE1-CG 4.16Å; E138-L140 HydrophobicContact CG-CD2 4.09Å
139	I	95.8	Very high	95.1	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.6	178.8	-60.2	167.6	0	0	0	108.6	S60 C63 L66 V121 F130 C132 Y137 D141 L144	S60-I139 WeakPolarHBondContact O-CA 3.41Å; C63-I139 HydrophobicContact CB-CD1 4.25Å; C63-I139 HydrophobicContact CB-CG1 4.1Å; C63-I139 HydrophobicContact CB-CG2 4.21Å; L66-I139 HydrophobicContact CD2-CD1 4.41Å; L66-I139 HydrophobicContact CD2-CG2 3.82Å; V121-I139 HydrophobicContact CG1-CD1 3.77Å; F130-I139 HydrophobicContact CB-CB 3.8Å; F130-I139 HydrophobicContact CB-CG2 4.46Å; F130-I139 PolarHBondContact O-N 3.18Å; C132-I139 HydrophobicContact CB-CD1 4Å; C132-I139 HydrophobicContact CB-CG1 4.19Å; Y137-I139 HydrophobicContact CD2-CG1 4.4Å; Y137-I139 HydrophobicContact CE2-CG1 4.06Å; I139-D141 HydrophobicContact CG2-CB 4.32Å; I139-L144 HydrophobicContact CG2-CD1 3.82Å
140	L	94.8	Very high	95.1	Very high	66 Å²	66	35.1 Å²	35.1	35%	0.346	20%	0.198	S	C	.	.			trans	-114.6	88.9	179.9	-58.8	178.7	0	0	0	109.2	S60 R61 E138	S60-L140 PolarHBondContact O-N 3.31Å; R61-L140 HydrophobicContact CG-CB 4.31Å; E138-L140 HydrophobicContact CG-CD2 4.09Å
141	D	92.6	Very high	94.9	Very high	55 Å²	55	35.3 Å²	35.3	29%	0.294	20%	0.2	S	C	.	.			trans	-139.6	125.4	-178.8	-165.4	-58.3	0	0	0	111.5	L66 I139 S143 L144	L66-D141 HydrophobicContact CD1-CB 4.07Å; L66-D141 WeakPolarHBondContact CD1-OD2 3.31Å; I139-D141 HydrophobicContact CG2-CB 4.32Å; D141-S143 PolarHBondContact O-N 3.36Å; D141-S143 WeakPolarHBondContact OD1-CA 3.49Å; D141-S143 WeakPolarHBondContact OD1-CB 3.32Å; D141-S143 PolarHBondContact OD1-N 2.8Å; D141-S143 PolarHBondContact OD1-OG 2.9Å; D141-L144 HydrophobicContact CB-CD1 4.22Å; D141-L144 HydrophobicContact CB-CG 4.25Å; D141-L144 PolarHBondContact O-N 3.12Å
142	G	92.3	Very high	94.8	Very high	50 Å²	50	36.6 Å²	36.6	52%	0.515	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-67	-18.9	-178.8	0	0	0	0	0	114.1	L144 E145	G142-L144 PolarHBondContact O-N 2.71Å; G142-E145 WeakPolarHBondContact O-CB 3.46Å; G142-E145 WeakPolarHBondContact O-CG 3.48Å; G142-E145 PolarHBondContact O-N 3.27Å
143	S	92.9	Very high	94.7	Very high	63 Å²	63	36.7 Å²	36.7	44%	0.441	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-68.3	-13.1	175.1	71.4	0	0	0	0	113.6	R71 D141	R71-S143 PolarHBondContact NH2-O 2.8Å; D141-S143 PolarHBondContact O-N 3.36Å; D141-S143 WeakPolarHBondContact OD1-CA 3.49Å; D141-S143 WeakPolarHBondContact OD1-CB 3.32Å; D141-S143 PolarHBondContact OD1-N 2.8Å; D141-S143 PolarHBondContact OD1-OG 2.9Å
144	L	94.8	Very high	94.6	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-94.5	-2.8	179.7	-53	179	0	0	0	113.3	L66 I69 F130 I139 D141 G142 D146 I147 T148	L66-L144 HydrophobicContact CD2-CD1 4.16Å; L66-L144 HydrophobicContact CD2-CD2 4.48Å; I69-L144 HydrophobicContact CD1-CD2 3.45Å; I69-L144 VanDerWaalsContact CD1-CD2 3.45Å; F130-L144 HydrophobicContact CB-CD1 4.15Å; F130-L144 HydrophobicContact CD1-CD1 3.9Å; F130-L144 HydrophobicContact CD2-CB 4.03Å; F130-L144 HydrophobicContact CD2-CD1 3.78Å; F130-L144 HydrophobicContact CE1-CB 4.02Å; F130-L144 HydrophobicContact CE1-CD1 4.2Å; F130-L144 HydrophobicContact CE2-CB 3.48Å; F130-L144 VanDerWaalsContact CE2-CB 3.48Å; F130-L144 HydrophobicContact CE2-CD1 4.1Å; F130-L144 HydrophobicContact CE2-CG 4.44Å; F130-L144 HydrophobicContact CG-CD1 3.67Å; F130-L144 HydrophobicContact CZ-CB 3.47Å; F130-L144 VanDerWaalsContact CZ-CB 3.47Å; F130-L144 HydrophobicContact CZ-CD1 4.3Å; F130-L144 HydrophobicContact CZ-CG 4.46Å; F130-L144 WeakPolarHBondContact CZ-O 3.46Å; I139-L144 HydrophobicContact CG2-CD1 3.82Å; D141-L144 HydrophobicContact CB-CD1 4.22Å; D141-L144 HydrophobicContact CB-CG 4.25Å; D141-L144 PolarHBondContact O-N 3.12Å; G142-L144 PolarHBondContact O-N 2.71Å; L144-D146 PolarHBondContact O-N 3.01Å; L144-I147 HydrophobicContact CD2-CD1 4.12Å; L144-I147 WeakPolarHBondContact O-CB 3.34Å; L144-I147 PolarHBondContact O-N 3.29Å; L144-I147 VanDerWaalsContact O-N 3.07Å; L144-T148 PolarHBondContact O-N 3.44Å
145	E	94.1	Very high	94.7	Very high	121 Å²	121	39 Å²	39	57%	0.565	22%	0.22	S	C	*	.	H	α-helix	trans	-58	-34.4	179	-75	-179.2	-168.9	0	0	112.2	G142 I147 T148 Y149	G142-E145 WeakPolarHBondContact O-CB 3.46Å; G142-E145 WeakPolarHBondContact O-CG 3.48Å; G142-E145 PolarHBondContact O-N 3.27Å; E145-I147 VanDerWaalsContact C-N 3.3Å; E145-I147 PolarHBondContact O-N 2.93Å; E145-T148 PolarHBondContact O-N 3.42Å; E145-T148 PolarHBondContact O-OG1 3.2Å; E145-Y149 VanDerWaalsContact O-CB 3.28Å; E145-Y149 WeakPolarHBondContact O-CB 3.26Å; E145-Y149 PolarHBondContact O-N 2.97Å
146	D	94.1	Very high	94.8	Very high	40 Å²	40	38 Å²	38	21%	0.214	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-37.5	176.5	67	-28.7	0	0	0	112.5	R71 L144 L150 F248	R71-D146 IonicContact CZ-OD2 3.98Å; R71-D146 IonicContact NE-OD1 2.67Å; R71-D146 IonicContact NE-OD2 3.3Å; R71-D146 PolarHBondContact NE-OD2 3.43Å; R71-D146 IonicContact NH2-OD1 3.95Å; R71-D146 PolarHBondContact NH2-OD1 2.68Å; R71-D146 IonicContact NH2-OD2 3.91Å; L144-D146 PolarHBondContact O-N 3.01Å; D146-L150 WeakPolarHBondContact O-CB 3.4Å; D146-L150 PolarHBondContact O-N 3.29Å; D146-F248 HydrophobicContact CB-CE1 4.13Å; D146-F248 HydrophobicContact CB-CZ 4.35Å; D146-F248 WeakPolarHBondContact OD2-CZ 3.29Å
147	I	96.4	Very high	94.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-69.5	-44.2	177	-57.9	175.4	0	0	0	110.6	I69 R71 L74 F76 L95 L123 F130 L144 E145 Y149 L150 L151 F248	I69-I147 HydrophobicContact CG2-CD1 3.9Å; R71-I147 HydrophobicContact CG-CD1 4.49Å; L74-I147 HydrophobicContact CD1-CD1 3.92Å; L74-I147 HydrophobicContact CD1-CG1 4.08Å; L74-I147 HydrophobicContact CD1-CG2 3.9Å; F76-I147 HydrophobicContact CE2-CG2 3.8Å; F76-I147 HydrophobicContact CZ-CG2 3.79Å; L95-I147 HydrophobicContact CD1-CD1 3.97Å; L95-I147 HydrophobicContact CD2-CG2 4.2Å; L123-I147 HydrophobicContact CD2-CG2 3.85Å; F130-I147 HydrophobicContact CE1-CB 4.34Å; F130-I147 HydrophobicContact CE1-CG2 4.19Å; F130-I147 HydrophobicContact CZ-CB 4.2Å; F130-I147 HydrophobicContact CZ-CG2 4.41Å; L144-I147 HydrophobicContact CD2-CD1 4.12Å; L144-I147 WeakPolarHBondContact O-CB 3.34Å; L144-I147 PolarHBondContact O-N 3.29Å; L144-I147 VanDerWaalsContact O-N 3.07Å; E145-I147 VanDerWaalsContact C-N 3.3Å; E145-I147 PolarHBondContact O-N 2.93Å; I147-Y149 VanDerWaalsContact C-N 3.31Å; I147-Y149 PolarHBondContact O-N 3.42Å; I147-L150 PolarHBondContact O-N 3.39Å; I147-L151 PolarHBondContact O-N 3.37Å; I147-F248 HydrophobicContact CG1-CE2 4.17Å; I147-F248 HydrophobicContact CG1-CZ 3.9Å
148	T	95.6	Very high	94.9	Very high	36 Å²	36	42.3 Å²	42.3	22%	0.221	25%	0.252	C	S	.	.	H	α-helix	trans	-64.6	-39.1	176.1	64.3	0	0	0	0	111.8	F130 L144 E145 L150 L151 N152	F130-T148 HydrophobicContact CE2-CG2 3.33Å; F130-T148 HydrophobicContact CZ-CG2 3.36Å; L144-T148 PolarHBondContact O-N 3.44Å; E145-T148 PolarHBondContact O-N 3.42Å; E145-T148 PolarHBondContact O-OG1 3.2Å; T148-L150 VanDerWaalsContact C-N 3.35Å; T148-L151 PolarHBondContact O-N 2.93Å; T148-N152 PolarHBondContact O-N 3.44Å; T148-N152 VanDerWaalsContact O-N 3.07Å
149	Y	95.6	Very high	94.8	Very high	24 Å²	24	43.3 Å²	43.3	9%	0.094	26%	0.257	C	S	.	.	H	α-helix	trans	-66.5	-37.2	176.5	-165	-94.2	0	0	0	111.5	E145 I147 N152 P153 T154 N244 R246	E145-Y149 VanDerWaalsContact O-CB 3.28Å; E145-Y149 WeakPolarHBondContact O-CB 3.26Å; E145-Y149 PolarHBondContact O-N 2.97Å; I147-Y149 VanDerWaalsContact C-N 3.31Å; I147-Y149 PolarHBondContact O-N 3.42Å; Y149-N152 CarbonylContact O-C 3.5Å; Y149-P153 HydrophobicContact CE1-CB 4.23Å; Y149-P153 WeakPolarHBondContact O-CA 3.5Å; Y149-P153 WeakPolarHBondContact O-CD 3.32Å; Y149-P153 VanDerWaalsContact O-CG 3.24Å; Y149-P153 WeakPolarHBondContact O-CG 3.34Å; Y149-T154 WeakPolarHBondContact CE2-O 3.33Å; Y149-T154 PolarHBondContact OH-O 3.32Å; Y149-N244 WeakPolarHBondContact CD1-OD1 3.47Å; Y149-N244 WeakPolarHBondContact CE1-OD1 3.48Å; Y149-R246 HydrophobicContact CD1-CB 3.95Å; Y149-R246 HydrophobicContact CD1-CG 4.22Å; Y149-R246 HydrophobicContact CE1-CB 4.21Å; Y149-R246 HydrophobicContact CE1-CG 4.18Å
150	L	95.5	Very high	94.7	Very high	14 Å²	14	43.7 Å²	43.7	7%	0.073	26%	0.258	C	S	.	.	H	α-helix	trans	-64	-41.8	173.3	-174.9	73.3	0	0	0	112.3	F76 D146 I147 T148 F248	F76-L150 HydrophobicContact CD2-CB 4.16Å; F76-L150 HydrophobicContact CD2-CD2 3.74Å; F76-L150 HydrophobicContact CD2-CG 3.85Å; F76-L150 HydrophobicContact CE2-CB 4.33Å; F76-L150 HydrophobicContact CE2-CD2 3.9Å; F76-L150 HydrophobicContact CE2-CG 4.32Å; D146-L150 WeakPolarHBondContact O-CB 3.4Å; D146-L150 PolarHBondContact O-N 3.29Å; I147-L150 PolarHBondContact O-N 3.39Å; T148-L150 VanDerWaalsContact C-N 3.35Å; L150-F248 HydrophobicContact CD1-CG 4.37Å; L150-F248 HydrophobicContact CD2-CB 4.17Å; L150-F248 HydrophobicContact CD2-CD1 4.21Å; L150-F248 HydrophobicContact CD2-CD2 3.26Å; L150-F248 HydrophobicContact CD2-CE1 4.44Å; L150-F248 HydrophobicContact CD2-CE2 3.52Å; L150-F248 HydrophobicContact CD2-CG 3.63Å; L150-F248 HydrophobicContact CD2-CZ 4.13Å
151	L	95.1	Very high	94.7	Very high	17 Å²	17	46.7 Å²	46.7	9%	0.089	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-45.7	179.2	172.9	60.9	0	0	0	111.5	F76 L123 L125 R128 I147 T148	F76-L151 HydrophobicContact CB-CD1 3.87Å; F76-L151 HydrophobicContact CD1-CD1 3.89Å; F76-L151 HydrophobicContact CD2-CB 3.79Å; F76-L151 HydrophobicContact CD2-CD1 4.37Å; F76-L151 HydrophobicContact CE2-CB 4.06Å; F76-L151 HydrophobicContact CG-CB 4.1Å; F76-L151 HydrophobicContact CG-CD1 3.8Å; L123-L151 HydrophobicContact CD2-CD2 3.89Å; L123-L151 HydrophobicContact CG-CD2 4.42Å; L125-L151 HydrophobicContact CD2-CD1 3.8Å; L125-L151 HydrophobicContact CD2-CD2 3.94Å; R128-L151 HydrophobicContact CG-CD2 4.08Å; I147-L151 PolarHBondContact O-N 3.37Å; T148-L151 PolarHBondContact O-N 2.93Å
152	N	93.8	Very high	94.8	Very high	41 Å²	41	47.5 Å²	47.5	22%	0.219	28%	0.281	C	S	.	.	S	Bend	trans	-141.2	80.2	-176.9	-169.5	27.3	0	0	0	111.1	T148 Y149 T154 R240	T148-N152 PolarHBondContact O-N 3.44Å; T148-N152 VanDerWaalsContact O-N 3.07Å; Y149-N152 CarbonylContact O-C 3.5Å; N152-T154 PolarHBondContact O-N 2.83Å; N152-R240 VanDerWaalsContact OD1-CZ 3.24Å; N152-R240 PolarHBondContact OD1-NH1 2.87Å; N152-R240 PolarHBondContact OD1-NH2 3.23Å
153	P	96	Very high	94.9	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.013	26%	0.262	C	S	.	.			trans	-62.2	126.1	-175.2	-19.6	29	0	0	0	111.5	Y149 F155 R240 K241 N244	Y149-P153 HydrophobicContact CE1-CB 4.23Å; Y149-P153 WeakPolarHBondContact O-CA 3.5Å; Y149-P153 WeakPolarHBondContact O-CD 3.32Å; Y149-P153 VanDerWaalsContact O-CG 3.24Å; Y149-P153 WeakPolarHBondContact O-CG 3.34Å; P153-F155 HydrophobicContact CB-CE2 4.04Å; P153-R240 HydrophobicContact CB-CB 4.3Å; P153-R240 WeakPolarHBondContact O-CD 3.31Å; P153-R240 PolarHBondContact O-NH1 3.43Å; P153-K241 HydrophobicContact CG-CG 4.2Å; P153-N244 HydrophobicContact CB-CB 4.11Å; P153-N244 HydrophobicContact CG-CB 3.99Å
154	T	94.9	Very high	94.9	Very high	65 Å²	65	45.4 Å²	45.4	40%	0.399	25%	0.253	S	S	.	.			trans	-112.2	144.9	178.4	55.1	0	0	0	0	110.8	Y149 N152	Y149-T154 WeakPolarHBondContact CE2-O 3.33Å; Y149-T154 PolarHBondContact OH-O 3.32Å; N152-T154 PolarHBondContact O-N 2.83Å
155	F	96	Very high	94.8	Very high	19 Å²	19	49.3 Å²	49.3	8%	0.083	28%	0.281	C	S	.	.			trans	-126.2	130.3	-179.9	-62.5	-98.1	0	0	0	110	P153 I160 L212 R240 W243	P153-F155 HydrophobicContact CB-CE2 4.04Å; F155-I160 HydrophobicContact CB-CD1 3.97Å; F155-I160 HydrophobicContact CB-CG1 3.69Å; F155-L212 HydrophobicContact CB-CB 4.46Å; F155-L212 HydrophobicContact CD2-CB 4.19Å; F155-L212 HydrophobicContact CD2-CD2 3.85Å; F155-L212 HydrophobicContact CD2-CG 4.47Å; F155-L212 HydrophobicContact CE2-CD2 3.67Å; F155-L212 HydrophobicContact CG-CB 4.36Å; F155-L212 HydrophobicContact CG-CD2 4.42Å; F155-L212 HydrophobicContact CZ-CD2 4.05Å; F155-R240 HydrophobicContact CD2-CG 4.2Å; F155-R240 HydrophobicContact CE2-CB 3.97Å; F155-R240 HydrophobicContact CE2-CG 4.03Å; F155-W243 HydrophobicContact CE1-CB 4.47Å; F155-W243 WeakPolarHBondContact CE1-O 3.36Å; F155-W243 HydrophobicContact CZ-CB 4.14Å; F155-W243 VanDerWaalsContact CZ-O 3.31Å; F155-W243 WeakPolarHBondContact CZ-O 3.33Å
156	S	95.5	Very high	94.6	Very high	48 Å²	48	48.1 Å²	48.1	34%	0.336	27%	0.271	S	S	.	.			trans	-74.2	156	168.7	64.4	0	0	0	0	110.9	S158 E159 I160	S156-S158 PolarHBondContact O-N 3.32Å; S156-S158 PolarHBondContact OG-OG 2.83Å; S156-S158 VanDerWaalsContact OG-OG 3.09Å; S156-E159 WeakPolarHBondContact CB-OE2 3.44Å; S156-E159 PolarHBondContact N-OE2 3.39Å; S156-E159 PolarHBondContact O-N 3.48Å; S156-E159 VanDerWaalsContact O-N 3.11Å; S156-E159 WeakPolarHBondContact OG-CB 3.25Å; S156-E159 WeakPolarHBondContact OG-CG 3.17Å; S156-E159 PolarHBondContact OG-N 3.18Å; S156-E159 PolarHBondContact OG-OE2 3.34Å; S156-I160 WeakPolarHBondContact O-CG1 3.41Å; S156-I160 PolarHBondContact O-N 3.31Å
157	T	94.4	Very high	94.5	Very high	92 Å²	92	49.2 Å²	49.2	56%	0.564	28%	0.282	S	S	*	.	H	α-helix	trans	-57.2	-38.3	177.1	-49.3	0	0	0	0	112	I160 L161	T157-I160 PolarHBondContact O-N 2.85Å; T157-L161 VanDerWaalsContact O-CG 3.32Å; T157-L161 WeakPolarHBondContact O-CG 3.48Å; T157-L161 PolarHBondContact O-N 2.89Å
158	S	95	Very high	94.4	Very high	80 Å²	80	56.1 Å²	56.1	56%	0.559	31%	0.312	S	S	*	.	H	α-helix	trans	-64.2	-42.9	175.7	43.2	0	0	0	0	112.8	S156 L161 T162	S156-S158 PolarHBondContact O-N 3.32Å; S156-S158 PolarHBondContact OG-OG 2.83Å; S156-S158 VanDerWaalsContact OG-OG 3.09Å; S158-L161 PolarHBondContact O-N 2.79Å; S158-T162 WeakPolarHBondContact O-CG2 3.49Å; S158-T162 PolarHBondContact O-N 2.86Å; S158-T162 PolarHBondContact O-OG1 2.79Å
159	E	94.8	Very high	94.3	Very high	72 Å²	72	59.2 Å²	59.2	34%	0.336	33%	0.326	S	S	.	.	H	α-helix	trans	-61.4	-48.6	176.6	-75.1	163.3	144.8	0	0	110.3	S156 L161 T162 L163	S156-E159 WeakPolarHBondContact CB-OE2 3.44Å; S156-E159 PolarHBondContact N-OE2 3.39Å; S156-E159 PolarHBondContact O-N 3.48Å; S156-E159 VanDerWaalsContact O-N 3.11Å; S156-E159 WeakPolarHBondContact OG-CB 3.25Å; S156-E159 WeakPolarHBondContact OG-CG 3.17Å; S156-E159 PolarHBondContact OG-N 3.18Å; S156-E159 PolarHBondContact OG-OE2 3.34Å; E159-L161 VanDerWaalsContact C-N 3.28Å; E159-L161 PolarHBondContact O-N 3.03Å; E159-T162 PolarHBondContact O-N 3.22Å; E159-T162 PolarHBondContact O-OG1 2.82Å; E159-L163 WeakPolarHBondContact O-CG 3.32Å; E159-L163 PolarHBondContact O-N 3.28Å
160	I	95.6	Very high	94.3	Very high	11 Å²	11	59.5 Å²	59.5	6%	0.056	33%	0.33	C	S	.	.	H	α-helix	trans	-55.7	-41.6	-179.9	-65.8	172.3	0	0	0	112	F155 S156 T157 T162 L163 N209 L212 D213	F155-I160 HydrophobicContact CB-CD1 3.97Å; F155-I160 HydrophobicContact CB-CG1 3.69Å; S156-I160 WeakPolarHBondContact O-CG1 3.41Å; S156-I160 PolarHBondContact O-N 3.31Å; T157-I160 PolarHBondContact O-N 2.85Å; I160-T162 VanDerWaalsContact C-N 3.28Å; I160-T162 PolarHBondContact O-N 2.86Å; I160-L163 PolarHBondContact O-N 3.4Å; I160-N209 HydrophobicContact CG2-CB 3.53Å; I160-N209 WeakPolarHBondContact CG2-OD1 3.37Å; I160-L212 HydrophobicContact CD1-CB 3.93Å; I160-L212 HydrophobicContact CG1-CB 4.17Å; I160-L212 HydrophobicContact CG1-CD1 4.31Å; I160-D213 HydrophobicContact CD1-CB 3.83Å
161	L	93.8	Very high	94.3	Very high	129 Å²	129	67.8 Å²	67.8	68%	0.675	36%	0.36	S	S	*	.	H	α-helix	trans	-66.2	-29.5	179.4	-71.2	172.1	0	0	0	113	T157 S158 E159	T157-L161 VanDerWaalsContact O-CG 3.32Å; T157-L161 WeakPolarHBondContact O-CG 3.48Å; T157-L161 PolarHBondContact O-N 2.89Å; S158-L161 PolarHBondContact O-N 2.79Å; E159-L161 VanDerWaalsContact C-N 3.28Å; E159-L161 PolarHBondContact O-N 3.03Å
162	T	94.8	Very high	94.2	Very high	72 Å²	72	67.2 Å²	67.2	44%	0.442	36%	0.357	S	S	.	.	H	α-helix	trans	-89.3	-13.5	-177.5	61.9	0	0	0	0	114.1	S158 E159 I160 D164 S165 Y166	S158-T162 WeakPolarHBondContact O-CG2 3.49Å; S158-T162 PolarHBondContact O-N 2.86Å; S158-T162 PolarHBondContact O-OG1 2.79Å; E159-T162 PolarHBondContact O-N 3.22Å; E159-T162 PolarHBondContact O-OG1 2.82Å; I160-T162 VanDerWaalsContact C-N 3.28Å; I160-T162 PolarHBondContact O-N 2.86Å; T162-D164 VanDerWaalsContact C-N 3.3Å; T162-D164 PolarHBondContact O-N 3.48Å; T162-S165 PolarHBondContact O-N 2.68Å; T162-S165 PolarHBondContact O-OG 3.2Å; T162-Y166 PolarHBondContact O-N 3.22Å
163	L	93.7	Very high	94.1	Very high	22 Å²	22	71.2 Å²	71.2	12%	0.115	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-54.1	-41.1	-175.2	-73.6	176.3	0	0	0	113.7	E159 I160 S165 Y166 L212 W243	E159-L163 WeakPolarHBondContact O-CG 3.32Å; E159-L163 PolarHBondContact O-N 3.28Å; I160-L163 PolarHBondContact O-N 3.4Å; L163-S165 VanDerWaalsContact C-N 3.26Å; L163-S165 PolarHBondContact O-N 2.6Å; L163-Y166 PolarHBondContact O-N 2.7Å; L163-L212 HydrophobicContact CD1-CD1 3.3Å; L163-W243 HydrophobicContact CB-CZ3 4.28Å; L163-W243 HydrophobicContact CD1-CE3 4.16Å; L163-W243 HydrophobicContact CD2-CE3 4.13Å
164	D	92.5	Very high	93.8	Very high	48 Å²	48	74.9 Å²	74.9	26%	0.257	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-74	-17.3	-179.5	-74.3	-18.7	0	0	0	113.6	T162 S205 R208 R490 G491	T162-D164 VanDerWaalsContact C-N 3.3Å; T162-D164 PolarHBondContact O-N 3.48Å; D164-S205 PolarHBondContact OD1-OG 3.37Å; D164-S205 WeakPolarHBondContact OD2-CB 3.16Å; D164-S205 PolarHBondContact OD2-OG 3.31Å; D164-R208 IonicContact OD1-CZ 3.85Å; D164-R208 IonicContact OD1-NH1 3.68Å; D164-R208 PolarHBondContact OD1-NH1 2.86Å; D164-R208 IonicContact OD1-NH2 2.77Å; D164-R208 PolarHBondContact OD1-NH2 2.88Å; D164-R208 IonicContact OD2-NH2 3.77Å; D164-R208 PolarHBondContact OD2-NH2 3.32Å; D164-R490 HydrophobicContact CB-CB 4.28Å; D164-R490 VanDerWaalsContact CG-CD 3.48Å; D164-R490 CarbonylContact O-C 3.46Å; D164-R490 WeakPolarHBondContact O-CB 3.47Å; D164-R490 WeakPolarHBondContact OD1-CD 3.28Å; D164-G491 WeakPolarHBondContact O-CA 3.45Å; D164-G491 PolarHBondContact O-N 3.36Å
165	S	92.6	Very high	93.7	Very high	83 Å²	83	74 Å²	74	58%	0.58	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-98.7	-10.8	177.5	64.3	0	0	0	0	113.3	T162 L163 S167	T162-S165 PolarHBondContact O-N 2.68Å; T162-S165 PolarHBondContact O-OG 3.2Å; L163-S165 VanDerWaalsContact C-N 3.26Å; L163-S165 PolarHBondContact O-N 2.6Å; S165-S167 PolarHBondContact O-N 3.29Å
166	Y	90.9	Very high	93.6	Very high	95 Å²	95	77.6 Å²	77.6	37%	0.373	41%	0.413	S	S	.	.			trans	-73.7	118.9	-175.8	-168.4	-99.2	0	0	0	110.8	T162 L163 K168 V170 H489	T162-Y166 PolarHBondContact O-N 3.22Å; L163-Y166 PolarHBondContact O-N 2.7Å; Y166-K168 WeakPolarHBondContact CD1-O 3.25Å; Y166-K168 HydrophobicContact CE1-CB 3.93Å; Y166-K168 WeakPolarHBondContact CE1-O 3.44Å; Y166-K168 HydrophobicContact CE2-CB 4.49Å; Y166-V170 HydrophobicContact CE1-CG2 3.99Å; Y166-H489 PolarHBondContact O-CE1 3.09Å
167	S	92.2	Very high	93.6	Very high	63 Å²	63	79.3 Å²	79.3	44%	0.441	42%	0.422	S	S	.	.			trans	-111.3	-3	-172.1	62.5	0	0	0	0	114.6	S165 Y179 G491 T492	S165-S167 PolarHBondContact O-N 3.29Å; S167-Y179 WeakPolarHBondContact O-CE1 3.3Å; S167-G491 WeakPolarHBondContact CB-O 3.43Å; S167-T492 WeakPolarHBondContact O-CG2 3.43Å
168	K	93.4	Very high	93.7	Very high	145 Å²	145	75.5 Å²	75.5	63%	0.63	40%	0.397	S	S	*	.			trans	-90	146	-176.9	-64.8	-176.6	-180	-179.9	0	110.9	Y166	Y166-K168 WeakPolarHBondContact CD1-O 3.25Å; Y166-K168 HydrophobicContact CE1-CB 3.93Å; Y166-K168 WeakPolarHBondContact CE1-O 3.44Å; Y166-K168 HydrophobicContact CE2-CB 4.49Å
169	M	94.2	Very high	93.7	Very high	102 Å²	102	72.8 Å²	72.8	50%	0.502	38%	0.375	S	S	.	.			trans	-76.4	147.9	166.3	-70.4	-177.5	-83.4	0	0	109.7	Y178 Y179	M169-Y178 WeakPolarHBondContact CA-O 3.49Å; M169-Y179 HydrophobicContact CB-CE1 4.42Å; M169-Y179 HydrophobicContact CG-CD1 4.01Å; M169-Y179 HydrophobicContact CG-CD2 3.92Å; M169-Y179 HydrophobicContact CG-CE1 3.53Å; M169-Y179 HydrophobicContact CG-CE2 3.41Å; M169-Y179 VanDerWaalsContact CG-CE2 3.41Å; M169-Y179 HydrophobicContact CG-CG 4.2Å; M169-Y179 HydrophobicContact SD-CE2 3.89Å
170	V	94.6	Very high	93.8	Very high	30 Å²	30	69.7 Å²	69.7	18%	0.182	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	151.9	171.3	-161.9	0	0	0	0	109.4	Y166 T177 Y178 P180 P245	Y166-V170 HydrophobicContact CE1-CG2 3.99Å; V170-T177 CarbonylContact O-C 3.39Å; V170-T177 VanDerWaalsContact O-CA 3.26Å; V170-T177 WeakPolarHBondContact O-CA 3.28Å; V170-Y178 HydrophobicContact CB-CE1 4.48Å; V170-Y178 PolarHBondContact N-O 2.93Å; V170-Y178 WeakPolarHBondContact O-CD1 3.26Å; V170-Y178 PolarHBondContact O-N 3.38Å; V170-P180 HydrophobicContact CG2-CG 4.05Å; V170-P245 WeakPolarHBondContact CG1-O 3.25Å; V170-P245 HydrophobicContact CG2-CB 4.28Å
171	R	95.7	Very high	93.8	Very high	188 Å²	188	69.1 Å²	69.1	71%	0.709	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	123.8	-178.6	-175.7	173.4	60.5	-178.3	-1.7	109.6	T177	R171-T177 HydrophobicContact CB-CG2 4.42Å
172	A	94.1	Very high	93.9	Very high	4 Å²	4	63.2 Å²	63.2	3%	0.033	33%	0.327	C	S	.	.			trans	-72.9	164.4	171.7	0	0	0	0	0	111.1	N174 G175 L176 Y178 N247 T250	A172-N174 WeakPolarHBondContact CB-OD1 3.35Å; A172-N174 PolarHBondContact O-N 3.45Å; A172-G175 PolarHBondContact O-N 2.65Å; A172-L176 PolarHBondContact N-O 3.4Å; A172-Y178 HydrophobicContact CB-CD1 4.12Å; A172-Y178 HydrophobicContact CB-CE1 3.78Å; A172-N247 WeakPolarHBondContact CA-O 3.46Å; A172-N247 WeakPolarHBondContact CB-O 3.47Å; A172-T250 HydrophobicContact CB-CG2 3.97Å
173	Y	91.1	Very high	94	Very high	126 Å²	126	59.9 Å²	59.9	49%	0.494	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-35.9	178.8	-176.5	-97.5	0	0	0	112.9	R71 N72 G175 N247 F248	R71-Y173 HydrophobicContact CB-CD1 3.96Å; R71-Y173 HydrophobicContact CB-CD2 4.27Å; R71-Y173 HydrophobicContact CB-CE1 3.67Å; R71-Y173 HydrophobicContact CB-CE2 4Å; R71-Y173 HydrophobicContact CB-CG 4.26Å; R71-Y173 HydrophobicContact CG-CE2 4.33Å; N72-Y173 HydrophobicContact CB-CE1 4.49Å; Y173-G175 PolarHBondContact O-N 3.21Å; Y173-G175 VanDerWaalsContact O-N 3.11Å; Y173-N247 PolarHBondContact N-O 3.42Å; Y173-F248 HydrophobicContact CG-CD1 4.49Å; Y173-F248 PolarHBondContact N-O 3.07Å
174	N	89.6	Confident	94.1	Very high	78 Å²	78	58.8 Å²	58.8	42%	0.417	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	2.6	176	71.1	-0.2	0	0	0	115	A172 L176 F248	A172-N174 WeakPolarHBondContact CB-OD1 3.35Å; A172-N174 PolarHBondContact O-N 3.45Å; N174-L176 VanDerWaalsContact C-N 3.33Å; N174-L176 PolarHBondContact O-N 3.43Å; N174-L176 WeakPolarHBondContact OD1-CB 3.46Å; N174-L176 PolarHBondContact OD1-N 2.96Å; N174-F248 PolarHBondContact N-O 3.22Å
175	G	92.4	Very high	94.3	Very high	46 Å²	46	56.6 Å²	56.6	47%	0.474	29%	0.29	S	S	.	.	S	Bend	trans	87.4	-10.6	178	0	0	0	0	0	115.1	A172 Y173	A172-G175 PolarHBondContact O-N 2.65Å; Y173-G175 PolarHBondContact O-N 3.21Å; Y173-G175 VanDerWaalsContact O-N 3.11Å
176	L	94.5	Very high	94.4	Very high	96 Å²	96	54.4 Å²	54.4	50%	0.503	27%	0.271	S	S	.	.			trans	-75.7	143.1	177	-61.6	178.7	0	0	0	111	A172 N174 T250	A172-L176 PolarHBondContact N-O 3.4Å; N174-L176 VanDerWaalsContact C-N 3.33Å; N174-L176 PolarHBondContact O-N 3.43Å; N174-L176 WeakPolarHBondContact OD1-CB 3.46Å; N174-L176 PolarHBondContact OD1-N 2.96Å; L176-T250 HydrophobicContact CB-CG2 3.55Å; L176-T250 HydrophobicContact CD1-CG2 4.42Å
177	T	95.9	Very high	94.4	Very high	84 Å²	84	52.8 Å²	52.8	52%	0.515	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	145.7	177.3	53.6	0	0	0	0	111.5	V170 R171	V170-T177 CarbonylContact O-C 3.39Å; V170-T177 VanDerWaalsContact O-CA 3.26Å; V170-T177 WeakPolarHBondContact O-CA 3.28Å; R171-T177 HydrophobicContact CB-CG2 4.42Å
178	Y	96	Very high	94.1	Very high	11 Å²	11	52.5 Å²	52.5	4%	0.043	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	165.9	179	67.1	-74.3	0	0	0	110.9	M169 V170 A172 V183 N244 P245 R246 N247 T250	M169-Y178 WeakPolarHBondContact CA-O 3.49Å; V170-Y178 HydrophobicContact CB-CE1 4.48Å; V170-Y178 PolarHBondContact N-O 2.93Å; V170-Y178 WeakPolarHBondContact O-CD1 3.26Å; V170-Y178 PolarHBondContact O-N 3.38Å; A172-Y178 HydrophobicContact CB-CD1 4.12Å; A172-Y178 HydrophobicContact CB-CE1 3.78Å; Y178-V183 HydrophobicContact CD2-CG1 3.34Å; Y178-V183 HydrophobicContact CE2-CG1 3.88Å; Y178-V183 HydrophobicContact CG-CG1 4.17Å; Y178-N244 PolarHBondContact OH-O 2.93Å; Y178-P245 PolarHBondContact OH-O 3.29Å; Y178-R246 PolarHBondContact OH-N 2.91Å; Y178-N247 WeakPolarHBondContact OH-CB 3.27Å; Y178-N247 PolarHBondContact OH-N 3.37Å; Y178-T250 HydrophobicContact CD1-CG2 3.77Å; Y178-T250 HydrophobicContact CG-CG2 4.12Å
179	Y	96.1	Very high	93.9	Very high	23 Å²	23	51.7 Å²	51.7	9%	0.09	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-99.1	132.6	166.8	-68	-80.1	0	0	0	109.1	S167 M169 G181 V182 H489 T492 F496	S167-Y179 WeakPolarHBondContact O-CE1 3.3Å; M169-Y179 HydrophobicContact CB-CE1 4.42Å; M169-Y179 HydrophobicContact CG-CD1 4.01Å; M169-Y179 HydrophobicContact CG-CD2 3.92Å; M169-Y179 HydrophobicContact CG-CE1 3.53Å; M169-Y179 HydrophobicContact CG-CE2 3.41Å; M169-Y179 VanDerWaalsContact CG-CE2 3.41Å; M169-Y179 HydrophobicContact CG-CG 4.2Å; M169-Y179 HydrophobicContact SD-CE2 3.89Å; Y179-G181 PolarHBondContact O-N 2.92Å; Y179-V182 CarbonylContact O-C 3.54Å; Y179-V182 WeakPolarHBondContact O-CA 3.12Å; Y179-V182 PolarHBondContact O-N 2.89Å; Y179-H489 AromaticContact CD1-CE1 3.39Å; Y179-H489 WeakPolarHBondContact CD1-CE1 3.22Å; Y179-H489 AromaticContact CD1-ND1 3.88Å; Y179-H489 AromaticContact CD1-NE2 3.67Å; Y179-H489 AromaticContact CE1-CE1 3.83Å; Y179-T492 HydrophobicContact CE1-CG2 3.76Å; Y179-F496 HydrophobicContact CD2-CE1 4.25Å; Y179-F496 HydrophobicContact CD2-CE2 4.15Å; Y179-F496 AromaticContact CD2-CZ 3.62Å; Y179-F496 HydrophobicContact CD2-CZ 3.62Å; Y179-F496 HydrophobicContact CE2-CE1 4.29Å; Y179-F496 HydrophobicContact CE2-CE2 4.31Å; Y179-F496 AromaticContact CE2-CZ 3.54Å; Y179-F496 HydrophobicContact CE2-CZ 3.54Å
180	P	95.7	Very high	93.7	Very high	7 Å²	7	47.8 Å²	47.8	5%	0.045	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	133.5	172.2	-26.5	35.5	0	0	0	111.2	V170 V182 W243 P245	V170-P180 HydrophobicContact CG2-CG 4.05Å; P180-V182 PolarHBondContact O-N 3.23Å; P180-W243 HydrophobicContact CB-CE3 4.19Å; P180-W243 WeakPolarHBondContact O-CZ3 3.17Å; P180-P245 HydrophobicContact CG-CB 4.16Å
181	G	95.2	Very high	93.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	-19	-173.2	0	0	0	0	0	114.8	Y179 Q199 H203 L242	Y179-G181 PolarHBondContact O-N 2.92Å; G181-Q199 PolarHBondContact O-OE1 2.76Å; G181-H203 PolarHBondContact O-NE2 3.37Å; G181-L242 WeakPolarHBondContact CA-O 3.23Å; G181-L242 PolarHBondContact N-O 3.45Å
182	V	96.7	Very high	93.6	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.03	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-106.3	70.5	174	-168.1	0	0	0	0	108.6	Y179 P180 H489 F496 L498 V503	Y179-V182 CarbonylContact O-C 3.54Å; Y179-V182 WeakPolarHBondContact O-CA 3.12Å; Y179-V182 PolarHBondContact O-N 2.89Å; P180-V182 PolarHBondContact O-N 3.23Å; V182-H489 HydrophobicContact CG2-CB 4.27Å; V182-F496 HydrophobicContact CG1-CB 3.69Å; V182-F496 HydrophobicContact CG1-CD1 3.98Å; V182-F496 HydrophobicContact CG1-CD2 3.96Å; V182-F496 HydrophobicContact CG1-CG 3.59Å; V182-F496 HydrophobicContact CG2-CD2 4.28Å; V182-L498 HydrophobicContact CG1-CD1 4.11Å; V182-L498 HydrophobicContact CG1-CD2 4.45Å; V182-V503 HydrophobicContact CG1-CG1 3.79Å
183	V	96	Very high	93.6	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	20%	0.2	C	C	.	.			trans	-129.2	151.3	-178	-64	0	0	0	0	110	Y178 Q199 L242 V252	Y178-V183 HydrophobicContact CD2-CG1 3.34Å; Y178-V183 HydrophobicContact CE2-CG1 3.88Å; Y178-V183 HydrophobicContact CG-CG1 4.17Å; V183-Q199 PolarHBondContact O-NE2 3.1Å; V183-L242 HydrophobicContact CG2-CB 4.36Å; V183-L242 HydrophobicContact CG2-CD2 3.36Å; V183-L242 HydrophobicContact CG2-CG 4.47Å; V183-V252 HydrophobicContact CG2-CG2 4.33Å
184	G	96	Very high	93.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	148.7	178.2	0	0	0	0	0	112.6	T250 H251 V252 D500	G184-T250 PolarHBondContact N-O 3.5Å; G184-H251 CarbonylContact O-C 3.37Å; G184-H251 WeakPolarHBondContact O-CA 3.07Å; G184-H251 WeakPolarHBondContact O-CB 3.38Å; G184-V252 PolarHBondContact O-N 2.73Å; G184-D500 CarbonylContact C-O 3.53Å; G184-D500 WeakPolarHBondContact CA-O 3.49Å
185	L	96.8	Very high	94.2	Very high	2 Å²	2	28 Å²	28	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.8	168.2	-79	176.3	0	0	0	110.1	N187 N195 L198 Q199 L238 L242 V252 P254 D500 L501	L185-N187 PolarHBondContact O-N 3.22Å; L185-N195 HydrophobicContact CB-CB 4.03Å; L185-N195 HydrophobicContact CD1-CB 3.95Å; L185-L198 HydrophobicContact CD1-CB 4.19Å; L185-Q199 HydrophobicContact CD1-CG 3.94Å; L185-L238 HydrophobicContact CD2-CD1 4.17Å; L185-L242 HydrophobicContact CD2-CD2 3.72Å; L185-L242 HydrophobicContact CG-CD2 4.1Å; L185-V252 WeakPolarHBondContact CA-O 3.2Å; L185-V252 HydrophobicContact CD2-CB 4.23Å; L185-V252 WeakPolarHBondContact CD2-O 3.33Å; L185-P254 HydrophobicContact CD2-CB 4.23Å; L185-P254 HydrophobicContact CD2-CG 4.31Å; L185-D500 PolarHBondContact N-O 3.39Å; L185-D500 CarbonylContact O-C 3.53Å; L185-D500 VanDerWaalsContact O-CA 3.25Å; L185-D500 WeakPolarHBondContact O-CA 3.31Å; L185-L501 PolarHBondContact O-N 3.44Å
186	N	95	Very high	94.5	Very high	37 Å²	37	26 Å²	26	20%	0.198	14%	0.136	C	C	.	.			trans	-66	131.7	178.5	-68.4	36.9	0	0	0	111.2	N191 N195 H251 V252 L501	N186-N191 PolarHBondContact O-ND2 3.37Å; N186-N191 VanDerWaalsContact O-ND2 3.09Å; N186-N195 PolarHBondContact O-ND2 2.89Å; N186-H251 PolarHBondContact OD1-CD2 2.83Å; N186-H251 VanDerWaalsContact OD1-CD2 3.24Å; N186-V252 PolarHBondContact N-O 3.47Å; N186-V252 VanDerWaalsContact N-O 3.08Å; N186-V252 PolarHBondContact OD1-O 2.77Å; N186-L501 WeakPolarHBondContact OD1-CD2 3.39Å
187	N	91.2	Very high	94.6	Very high	60 Å²	60	21.4 Å²	21.4	32%	0.321	11%	0.112	S	C	.	.			trans	-91	106.8	163.8	-167.1	-7.4	0	0	0	109	L185 K189 A190 N191 D500	L185-N187 PolarHBondContact O-N 3.22Å; N187-K189 VanDerWaalsContact OD1-C 3.23Å; N187-K189 PolarHBondContact OD1-N 3.39Å; N187-K189 PolarHBondContact OD1-O 3.09Å; N187-A190 PolarHBondContact OD1-N 2.68Å; N187-N191 WeakPolarHBondContact CA-OD1 3.26Å; N187-N191 PolarHBondContact OD1-N 3.3Å; N187-N191 PolarHBondContact OD1-OD1 3.35Å; N187-N191 VanDerWaalsContact OD1-OD1 3.1Å; N187-D500 HydrophobicContact CB-CB 3.99Å; N187-D500 VanDerWaalsContact CB-CG 3.48Å; N187-D500 VanDerWaalsContact CB-OD2 3.29Å; N187-D500 WeakPolarHBondContact CB-OD2 3.28Å; N187-D500 PolarHBondContact ND2-OD2 2.91Å
188	I	86.2	Confident	94.7	Very high	57 Å²	57	17.4 Å²	17.4	29%	0.292	9%	0.087	S	C	.	.	S	Bend	trans	-74.4	-43.8	-175.6	-54.3	-178	0	0	0	109.5	N191 H255 L258 I271	I188-N191 PolarHBondContact N-OD1 3.5Å; I188-H255 HydrophobicContact CD1-CB 3.79Å; I188-H255 VanDerWaalsContact CD1-ND1 3.31Å; I188-H255 WeakPolarHBondContact CD1-ND1 3.41Å; I188-L258 HydrophobicContact CD1-CD1 3.81Å; I188-I271 HydrophobicContact CB-CG2 3.86Å; I188-I271 HydrophobicContact CD1-CG2 4.22Å; I188-I271 HydrophobicContact CG2-CG2 3.92Å
189	K	88.9	Confident	94.8	Very high	128 Å²	128	17 Å²	17	56%	0.557	9%	0.086	S	C	*	.	S	Bend	trans	-148.8	-66.1	175.2	-70.4	-62.4	176.8	-178.2	0	110.8	N187 I271	N187-K189 VanDerWaalsContact OD1-C 3.23Å; N187-K189 PolarHBondContact OD1-N 3.39Å; N187-K189 PolarHBondContact OD1-O 3.09Å; K189-I271 WeakPolarHBondContact CB-O 3.47Å
190	A	90.3	Very high	94.9	Very high	20 Å²	20	16 Å²	16	17%	0.165	8%	0.082	C	C	.	.	S	Bend	trans	-146.7	41.7	-173.1	0	0	0	0	0	111.7	N187 Y193 I271 Q274	N187-A190 PolarHBondContact OD1-N 2.68Å; A190-Y193 WeakPolarHBondContact O-CD1 3.38Å; A190-Y193 VanDerWaalsContact O-CE1 3.26Å; A190-Y193 WeakPolarHBondContact O-CE1 3.38Å; A190-I271 PolarHBondContact N-O 2.46Å; A190-Q274 HydrophobicContact CB-CB 4.09Å; A190-Q274 WeakPolarHBondContact O-CA 3.32Å
191	N	92.8	Very high	95	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.081	C	C	.	.			trans	-107.7	18.1	-174.3	64.1	-78	0	0	0	114.1	N186 N187 I188 Y193 C194 N195 L258	N186-N191 PolarHBondContact O-ND2 3.37Å; N186-N191 VanDerWaalsContact O-ND2 3.09Å; N187-N191 WeakPolarHBondContact CA-OD1 3.26Å; N187-N191 PolarHBondContact OD1-N 3.3Å; N187-N191 PolarHBondContact OD1-OD1 3.35Å; N187-N191 VanDerWaalsContact OD1-OD1 3.1Å; I188-N191 PolarHBondContact N-OD1 3.5Å; N191-Y193 VanDerWaalsContact C-N 3.29Å; N191-Y193 PolarHBondContact O-N 3.5Å; N191-C194 WeakPolarHBondContact O-CB 3.33Å; N191-C194 PolarHBondContact O-N 3.48Å; N191-C194 VanDerWaalsContact O-N 3.09Å; N191-N195 PolarHBondContact ND2-ND2 2.85Å; N191-N195 PolarHBondContact ND2-OD1 3.37Å; N191-N195 VanDerWaalsContact O-CG 3.3Å; N191-N195 PolarHBondContact O-N 3.03Å; N191-N195 PolarHBondContact O-OD1 2.9Å; N191-L258 HydrophobicContact CB-CD1 3.86Å; N191-L258 HydrophobicContact CB-CD2 4.29Å
192	D	94.5	Very high	95.1	Very high	5 Å²	5	15.9 Å²	15.9	3%	0.027	8%	0.081	C	C	.	.	H	α-helix	trans	-58	-38.2	176.8	64.5	-27.7	0	0	0	112.6	C194 N195 V196 Q274 T482 H483	D192-C194 VanDerWaalsContact C-N 3.29Å; D192-C194 PolarHBondContact O-N 3.21Å; D192-N195 WeakPolarHBondContact O-CB 3.5Å; D192-N195 PolarHBondContact O-N 3.05Å; D192-N195 VanDerWaalsContact O-N 3.1Å; D192-V196 PolarHBondContact O-N 3.41Å; D192-Q274 WeakPolarHBondContact OD1-CG 3.38Å; D192-Q274 PolarHBondContact OD1-NE2 3.08Å; D192-Q274 PolarHBondContact OD2-NE2 3.17Å; D192-T482 WeakPolarHBondContact OD2-CA 3.27Å; D192-H483 HydrophobicContact CB-CB 4.38Å; D192-H483 IonicContact OD1-ND1 3.31Å; D192-H483 IonicContact OD2-CG 2.77Å; D192-H483 PolarHBondContact OD2-N 3.47Å; D192-H483 IonicContact OD2-ND1 2.75Å; D192-H483 PolarHBondContact OD2-ND1 3.16Å
193	Y	95.1	Very high	95.2	Very high	2 Å²	2	16 Å²	16	1%	0.008	8%	0.081	C	C	.	.	H	α-helix	trans	-58.9	-38.2	173.4	75.8	-81	0	0	0	112.2	A190 N191 V196 I197 F269 Q270 Q274 F280	A190-Y193 WeakPolarHBondContact O-CD1 3.38Å; A190-Y193 VanDerWaalsContact O-CE1 3.26Å; A190-Y193 WeakPolarHBondContact O-CE1 3.38Å; N191-Y193 VanDerWaalsContact C-N 3.29Å; N191-Y193 PolarHBondContact O-N 3.5Å; Y193-V196 VanDerWaalsContact O-CG2 3.28Å; Y193-V196 WeakPolarHBondContact O-CG2 3.47Å; Y193-I197 WeakPolarHBondContact O-CG1 3.39Å; Y193-F269 HydrophobicContact CE2-CD1 4.09Å; Y193-Q270 PolarHBondContact OH-O 3.01Å; Y193-Q274 HydrophobicContact CD1-CG 3.87Å; Y193-F280 HydrophobicContact CD2-CB 3.91Å; Y193-F280 HydrophobicContact CD2-CG 4.21Å; Y193-F280 HydrophobicContact CE2-CB 3.85Å; Y193-F280 HydrophobicContact CE2-CD2 4.25Å; Y193-F280 AromaticContact CE2-CG 3.98Å; Y193-F280 HydrophobicContact CE2-CG 3.98Å
194	C	96.5	Very high	95.3	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-70.2	-45.2	172.5	-69.7	0	0	0	0	110.7	N191 D192 V196 I197 L198 L258 F280	N191-C194 WeakPolarHBondContact O-CB 3.33Å; N191-C194 PolarHBondContact O-N 3.48Å; N191-C194 VanDerWaalsContact O-N 3.09Å; D192-C194 VanDerWaalsContact C-N 3.29Å; D192-C194 PolarHBondContact O-N 3.21Å; C194-V196 VanDerWaalsContact C-N 3.34Å; C194-V196 PolarHBondContact O-N 2.91Å; C194-I197 PolarHBondContact O-N 2.99Å; C194-I197 VanDerWaalsContact O-N 3.1Å; C194-L198 HydrophobicContact CB-CD1 4.38Å; C194-L198 WeakPolarHBondContact O-CG 3.48Å; C194-L198 PolarHBondContact O-N 2.91Å; C194-L258 HydrophobicContact CB-CD2 3.96Å; C194-F280 HydrophobicContact CB-CD1 4.3Å; C194-F280 HydrophobicContact CB-CE1 3.84Å; C194-F280 HydrophobicContact CB-CZ 4.06Å; C194-F280 VanDerWaalsContact SG-CZ 3.59Å
195	N	97.1	Very high	95.3	Very high	4 Å²	4	16.2 Å²	16.2	2%	0.021	8%	0.083	C	C	.	.	H	α-helix	trans	-55.7	-47.8	-175.9	-69.2	-10.2	0	0	0	111.7	L185 N186 N191 D192 I197 L198 Q199 D500	L185-N195 HydrophobicContact CB-CB 4.03Å; L185-N195 HydrophobicContact CD1-CB 3.95Å; N186-N195 PolarHBondContact O-ND2 2.89Å; N191-N195 PolarHBondContact ND2-ND2 2.85Å; N191-N195 PolarHBondContact ND2-OD1 3.37Å; N191-N195 VanDerWaalsContact O-CG 3.3Å; N191-N195 PolarHBondContact O-N 3.03Å; N191-N195 PolarHBondContact O-OD1 2.9Å; D192-N195 WeakPolarHBondContact O-CB 3.5Å; D192-N195 PolarHBondContact O-N 3.05Å; D192-N195 VanDerWaalsContact O-N 3.1Å; N195-I197 VanDerWaalsContact C-N 3.34Å; N195-I197 PolarHBondContact O-N 3.4Å; N195-L198 PolarHBondContact O-N 3.05Å; N195-Q199 WeakPolarHBondContact O-CB 3.28Å; N195-Q199 VanDerWaalsContact O-CG 3.27Å; N195-Q199 WeakPolarHBondContact O-CG 3.21Å; N195-Q199 PolarHBondContact O-N 3.15Å; N195-D500 PolarHBondContact ND2-OD1 3.17Å
196	V	97.5	Very high	95.3	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.018	10%	0.095	C	C	.	.	H	α-helix	trans	-63.5	-38.2	178.4	-63.4	0	0	0	0	112.3	D192 Y193 C194 M200 V470 H483 I485	D192-V196 PolarHBondContact O-N 3.41Å; Y193-V196 VanDerWaalsContact O-CG2 3.28Å; Y193-V196 WeakPolarHBondContact O-CG2 3.47Å; C194-V196 VanDerWaalsContact C-N 3.34Å; C194-V196 PolarHBondContact O-N 2.91Å; V196-M200 WeakPolarHBondContact O-CB 3.23Å; V196-M200 PolarHBondContact O-N 2.89Å; V196-V470 HydrophobicContact CB-CG1 3.98Å; V196-V470 HydrophobicContact CB-CG2 4.29Å; V196-V470 HydrophobicContact CG2-CG1 3.62Å; V196-V470 HydrophobicContact CG2-CG2 4.46Å; V196-H483 HydrophobicContact CB-CB 4.49Å; V196-H483 HydrophobicContact CG1-CB 3.75Å; V196-H483 HydrophobicContact CG2-CB 3.9Å; V196-I485 HydrophobicContact CB-CB 4.14Å; V196-I485 HydrophobicContact CB-CG2 4.44Å; V196-I485 HydrophobicContact CG1-CB 4.05Å; V196-I485 HydrophobicContact CG1-CG2 4.19Å; V196-I485 WeakPolarHBondContact O-CD1 3.42Å
197	I	98.1	Very high	95.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-68.7	-40.1	177.1	-65.7	-54.2	0	0	0	111.4	Y193 C194 N195 M200 L201 A277 F280 L281 L284 I518	Y193-I197 WeakPolarHBondContact O-CG1 3.39Å; C194-I197 PolarHBondContact O-N 2.99Å; C194-I197 VanDerWaalsContact O-N 3.1Å; N195-I197 VanDerWaalsContact C-N 3.34Å; N195-I197 PolarHBondContact O-N 3.4Å; I197-M200 HydrophobicContact CD1-CE 4.01Å; I197-M200 HydrophobicContact CD1-SD 4.42Å; I197-M200 WeakPolarHBondContact O-CB 3.49Å; I197-M200 PolarHBondContact O-N 2.94Å; I197-L201 HydrophobicContact CG2-CD1 4.01Å; I197-L201 HydrophobicContact CG2-CG 4.36Å; I197-L201 WeakPolarHBondContact O-CB 3.21Å; I197-L201 WeakPolarHBondContact O-CG 3.38Å; I197-L201 PolarHBondContact O-N 3.06Å; I197-A277 HydrophobicContact CD1-CB 4.37Å; I197-A277 HydrophobicContact CG1-CB 4.3Å; I197-F280 HydrophobicContact CB-CD1 3.83Å; I197-F280 HydrophobicContact CB-CE1 3.98Å; I197-F280 HydrophobicContact CG1-CD1 4Å; I197-F280 HydrophobicContact CG2-CD1 3.84Å; I197-F280 HydrophobicContact CG2-CE1 3.88Å; I197-L281 HydrophobicContact CD1-CB 3.94Å; I197-L281 HydrophobicContact CD1-CD2 4.4Å; I197-L281 HydrophobicContact CG1-CB 4.33Å; I197-L281 HydrophobicContact CG2-CB 4.22Å; I197-L281 HydrophobicContact CG2-CD1 3.91Å; I197-L284 HydrophobicContact CG2-CD2 4.32Å; I197-I518 HydrophobicContact CD1-CD1 3.65Å
198	L	97.9	Very high	95.7	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-65.6	-42.7	177.9	-64.3	168.3	0	0	0	111.2	L185 C194 N195 S202 F235 L238 P254 F257 L284	L185-L198 HydrophobicContact CD1-CB 4.19Å; C194-L198 HydrophobicContact CB-CD1 4.38Å; C194-L198 WeakPolarHBondContact O-CG 3.48Å; C194-L198 PolarHBondContact O-N 2.91Å; N195-L198 PolarHBondContact O-N 3.05Å; L198-S202 VanDerWaalsContact O-CB 3.3Å; L198-S202 WeakPolarHBondContact O-CB 3.35Å; L198-S202 PolarHBondContact O-N 3.41Å; L198-F235 HydrophobicContact CD2-CD2 4.01Å; L198-F235 HydrophobicContact CD2-CE2 3.72Å; L198-L238 HydrophobicContact CB-CD2 4.42Å; L198-L238 HydrophobicContact CD1-CD2 3.74Å; L198-L238 HydrophobicContact CD2-CD2 4.27Å; L198-L238 HydrophobicContact CG-CD2 4.34Å; L198-P254 HydrophobicContact CD1-CB 4.42Å; L198-F257 HydrophobicContact CD1-CD1 3.72Å; L198-F257 HydrophobicContact CD1-CE1 3.69Å; L198-F257 HydrophobicContact CD2-CD1 4.02Å; L198-F257 HydrophobicContact CD2-CE1 3.36Å; L198-F257 HydrophobicContact CD2-CZ 3.64Å; L198-F257 HydrophobicContact CG-CE1 4.08Å; L198-L284 HydrophobicContact CD2-CD2 4.1Å
199	Q	97.7	Very high	96.2	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.019	7%	0.069	C	C	.	.	H	α-helix	trans	-61.9	-47	171.7	-70.8	-67.9	10.9	0	0	111.5	G181 V183 L185 N195 L201 S202 H203 I485 L487 L498	G181-Q199 PolarHBondContact O-OE1 2.76Å; V183-Q199 PolarHBondContact O-NE2 3.1Å; L185-Q199 HydrophobicContact CD1-CG 3.94Å; N195-Q199 WeakPolarHBondContact O-CB 3.28Å; N195-Q199 VanDerWaalsContact O-CG 3.27Å; N195-Q199 WeakPolarHBondContact O-CG 3.21Å; N195-Q199 PolarHBondContact O-N 3.15Å; Q199-L201 PolarHBondContact O-N 2.95Å; Q199-S202 PolarHBondContact O-N 3.41Å; Q199-S202 PolarHBondContact O-OG 3.31Å; Q199-H203 PolarHBondContact O-CD2 3.5Å; Q199-H203 VanDerWaalsContact O-CD2 3.26Å; Q199-H203 PolarHBondContact O-N 2.98Å; Q199-I485 HydrophobicContact CB-CD1 4.16Å; Q199-I485 HydrophobicContact CB-CG2 4.11Å; Q199-L487 HydrophobicContact CB-CD1 4.01Å; Q199-L498 HydrophobicContact CG-CD2 4.39Å
200	M	98.2	Very high	96.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-56.6	-48.7	178.3	-174.3	-171.2	73.4	0	0	111.9	V196 I197 H203 L281 A468 V470 I485 I518 V520	V196-M200 WeakPolarHBondContact O-CB 3.23Å; V196-M200 PolarHBondContact O-N 2.89Å; I197-M200 HydrophobicContact CD1-CE 4.01Å; I197-M200 HydrophobicContact CD1-SD 4.42Å; I197-M200 WeakPolarHBondContact O-CB 3.49Å; I197-M200 PolarHBondContact O-N 2.94Å; M200-H203 PolarHBondContact O-N 3.09Å; M200-L281 HydrophobicContact CE-CD1 3.52Å; M200-L281 HydrophobicContact CE-CD2 3.84Å; M200-L281 HydrophobicContact CE-CG 4.31Å; M200-A468 HydrophobicContact CG-CB 3.85Å; M200-V470 HydrophobicContact CB-CG2 4.43Å; M200-V470 HydrophobicContact SD-CG2 4Å; M200-I485 HydrophobicContact CB-CD1 3.64Å; M200-I485 HydrophobicContact CG-CD1 4.39Å; M200-I518 HydrophobicContact CE-CG2 4.38Å; M200-I518 HydrophobicContact SD-CB 4.43Å; M200-I518 HydrophobicContact SD-CG2 3.61Å; M200-V520 HydrophobicContact CE-CG2 4.2Å; M200-V520 HydrophobicContact CG-CB 4.5Å; M200-V520 HydrophobicContact CG-CG2 3.33Å; M200-V520 HydrophobicContact SD-CG2 3.38Å; M200-V520 WeakPolarHBondContact SD-CG2 3.33Å
201	L	98.1	Very high	96.8	Very high	6 Å²	6	7.6 Å²	7.6	3%	0.031	4%	0.041	C	C	.	.	H	α-helix	trans	-69.7	-31.6	179.9	-66.8	176.6	0	0	0	112.6	I197 Q199 H203 I204 L207 F235 L281 L284 V285	I197-L201 HydrophobicContact CG2-CD1 4.01Å; I197-L201 HydrophobicContact CG2-CG 4.36Å; I197-L201 WeakPolarHBondContact O-CB 3.21Å; I197-L201 WeakPolarHBondContact O-CG 3.38Å; I197-L201 PolarHBondContact O-N 3.06Å; Q199-L201 PolarHBondContact O-N 2.95Å; L201-H203 PolarHBondContact O-N 3.1Å; L201-I204 HydrophobicContact CD2-CD1 4.01Å; L201-I204 PolarHBondContact O-N 2.88Å; L201-L207 HydrophobicContact CD2-CD1 4.28Å; L201-F235 HydrophobicContact CB-CZ 4.12Å; L201-F235 HydrophobicContact CD1-CZ 4.32Å; L201-L281 HydrophobicContact CD1-CD1 4.41Å; L201-L281 HydrophobicContact CD2-CD1 4.17Å; L201-L281 HydrophobicContact CG-CD1 4.48Å; L201-L284 HydrophobicContact CD1-CD2 3.74Å; L201-L284 HydrophobicContact CD1-CG 4.47Å; L201-V285 HydrophobicContact CD2-CG2 4.39Å
202	S	97.4	Very high	97	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-68.2	-21.2	178.3	85.1	0	0	0	0	113.5	L198 Q199 R208 W243	L198-S202 VanDerWaalsContact O-CB 3.3Å; L198-S202 WeakPolarHBondContact O-CB 3.35Å; L198-S202 PolarHBondContact O-N 3.41Å; Q199-S202 PolarHBondContact O-N 3.41Å; Q199-S202 PolarHBondContact O-OG 3.31Å; S202-R208 WeakPolarHBondContact O-CB 3.27Å; S202-R208 WeakPolarHBondContact O-CG 3.41Å; S202-W243 PolarHBondContact O-NE1 3.2Å; S202-W243 VanDerWaalsContact O-NE1 3.16Å
203	H	97.4	Very high	97	Very high	7 Å²	7	8.9 Å²	8.9	3%	0.032	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	3.9	177.3	-78.1	-91	0	0	0	113.9	G181 Q199 M200 L201 S205 W243 V467 L487	G181-H203 PolarHBondContact O-NE2 3.37Å; Q199-H203 PolarHBondContact O-CD2 3.5Å; Q199-H203 VanDerWaalsContact O-CD2 3.26Å; Q199-H203 PolarHBondContact O-N 2.98Å; M200-H203 PolarHBondContact O-N 3.09Å; L201-H203 PolarHBondContact O-N 3.1Å; H203-S205 PolarHBondContact O-N 3.1Å; H203-W243 AromaticContact CE1-CZ2 3.82Å; H203-W243 AromaticContact ND1-CZ2 3.89Å; H203-V467 HydrophobicContact CB-CG1 4.39Å; H203-L487 HydrophobicContact CB-CD2 4.06Å; H203-L487 VanDerWaalsContact CD2-CD1 3.42Å; H203-L487 WeakPolarHBondContact CD2-CD1 3.28Å; H203-L487 WeakPolarHBondContact NE2-CD1 3.19Å
204	I	97.8	Very high	96.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.057	C	C	.	.			trans	-85.8	97.9	169.9	-60.4	-178.3	0	0	0	108.3	L201 P206 L207 R208 T315 L316 Y416 V520	L201-I204 HydrophobicContact CD2-CD1 4.01Å; L201-I204 PolarHBondContact O-N 2.88Å; I204-P206 VanDerWaalsContact O-N 3.16Å; I204-L207 HydrophobicContact CB-CB 4.24Å; I204-L207 HydrophobicContact CB-CD1 4Å; I204-L207 HydrophobicContact CB-CG 4.26Å; I204-L207 HydrophobicContact CD1-CD1 4.1Å; I204-L207 HydrophobicContact CG2-CB 4.13Å; I204-L207 HydrophobicContact CG2-CD1 3.75Å; I204-L207 HydrophobicContact CG2-CG 3.75Å; I204-L207 WeakPolarHBondContact O-CB 3.45Å; I204-L207 PolarHBondContact O-N 3.43Å; I204-R208 PolarHBondContact O-N 3.35Å; I204-T315 HydrophobicContact CG2-CG2 3.66Å; I204-L316 HydrophobicContact CD1-CD2 3.86Å; I204-Y416 HydrophobicContact CB-CD1 4.26Å; I204-Y416 HydrophobicContact CB-CE1 4.22Å; I204-Y416 HydrophobicContact CG1-CD1 4.04Å; I204-Y416 HydrophobicContact CG1-CE1 4.3Å; I204-Y416 HydrophobicContact CG2-CD1 3.72Å; I204-Y416 HydrophobicContact CG2-CD2 3.96Å; I204-Y416 HydrophobicContact CG2-CE1 3.87Å; I204-Y416 HydrophobicContact CG2-CE2 4.15Å; I204-Y416 HydrophobicContact CG2-CG 3.75Å; I204-V520 HydrophobicContact CD1-CG1 3.94Å; I204-V520 HydrophobicContact CD1-CG2 4.5Å; I204-V520 HydrophobicContact CG1-CG1 4.07Å
205	S	96.8	Very high	96.5	Very high	6 Å²	6	17.9 Å²	17.9	4%	0.042	9%	0.088	C	C	.	.	H	α-helix	trans	-50.7	-45.2	-167	-48.5	0	0	0	0	114.8	D164 H203 L207 R208 N209 Y416 R490	D164-S205 PolarHBondContact OD1-OG 3.37Å; D164-S205 WeakPolarHBondContact OD2-CB 3.16Å; D164-S205 PolarHBondContact OD2-OG 3.31Å; H203-S205 PolarHBondContact O-N 3.1Å; S205-L207 PolarHBondContact O-N 2.84Å; S205-R208 PolarHBondContact O-N 2.89Å; S205-N209 VanDerWaalsContact O-CB 3.24Å; S205-N209 WeakPolarHBondContact O-CB 3.29Å; S205-N209 PolarHBondContact O-N 2.95Å; S205-N209 PolarHBondContact O-OD1 3.09Å; S205-N209 VanDerWaalsContact O-OD1 3.06Å; S205-Y416 PolarHBondContact N-OH 3.11Å; S205-Y416 PolarHBondContact OG-OH 3.5Å; S205-R490 PolarHBondContact OG-NE 3Å
206	P	96.3	Very high	96	Very high	42 Å²	42	20.5 Å²	20.5	27%	0.273	10%	0.102	S	C	.	.	H	α-helix	trans	-64.4	-37.1	178.3	-22.8	35	0	0	0	113.7	I204 Y210 I311 T315 Y416	I204-P206 VanDerWaalsContact O-N 3.16Å; P206-Y210 WeakPolarHBondContact O-CB 3.49Å; P206-Y210 PolarHBondContact O-N 3.48Å; P206-I311 HydrophobicContact CB-CD1 4.28Å; P206-T315 HydrophobicContact CB-CG2 4Å; P206-T315 HydrophobicContact CG-CG2 4.01Å; P206-Y416 HydrophobicContact CG-CD2 4.36Å; P206-Y416 HydrophobicContact CG-CE2 3.71Å
207	L	96.9	Very high	95.4	Very high	7 Å²	7	20.7 Å²	20.7	4%	0.037	10%	0.103	C	C	.	.	H	α-helix	trans	-69	-51.7	175.7	-65.4	179.3	0	0	0	110.1	L201 I204 S205 N209 Y210 F211 I311 V312 T315 L316	L201-L207 HydrophobicContact CD2-CD1 4.28Å; I204-L207 HydrophobicContact CB-CB 4.24Å; I204-L207 HydrophobicContact CB-CD1 4Å; I204-L207 HydrophobicContact CB-CG 4.26Å; I204-L207 HydrophobicContact CD1-CD1 4.1Å; I204-L207 HydrophobicContact CG2-CB 4.13Å; I204-L207 HydrophobicContact CG2-CD1 3.75Å; I204-L207 HydrophobicContact CG2-CG 3.75Å; I204-L207 WeakPolarHBondContact O-CB 3.45Å; I204-L207 PolarHBondContact O-N 3.43Å; S205-L207 PolarHBondContact O-N 2.84Å; L207-N209 VanDerWaalsContact C-N 3.33Å; L207-N209 PolarHBondContact O-N 2.89Å; L207-Y210 WeakPolarHBondContact O-CB 3.44Å; L207-Y210 PolarHBondContact O-N 2.66Å; L207-Y210 VanDerWaalsContact O-N 3.12Å; L207-F211 WeakPolarHBondContact O-CD2 3.1Å; L207-F211 PolarHBondContact O-N 3.39Å; L207-I311 HydrophobicContact CD2-CG1 4.04Å; L207-I311 HydrophobicContact CD2-CG2 4.14Å; L207-V312 HydrophobicContact CD2-CG2 4.1Å; L207-T315 HydrophobicContact CG-CG2 4.28Å; L207-L316 HydrophobicContact CD1-CD1 3.96Å; L207-L316 HydrophobicContact CD1-CG 4.29Å
208	R	97.5	Very high	94.6	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-49.1	-56.2	175.6	-177.8	-162.3	62.6	-152.9	-7.2	110.9	D164 S202 I204 S205 Y210 F211 L212 I239 W243	D164-R208 IonicContact OD1-CZ 3.85Å; D164-R208 IonicContact OD1-NH1 3.68Å; D164-R208 PolarHBondContact OD1-NH1 2.86Å; D164-R208 IonicContact OD1-NH2 2.77Å; D164-R208 PolarHBondContact OD1-NH2 2.88Å; D164-R208 IonicContact OD2-NH2 3.77Å; D164-R208 PolarHBondContact OD2-NH2 3.32Å; S202-R208 WeakPolarHBondContact O-CB 3.27Å; S202-R208 WeakPolarHBondContact O-CG 3.41Å; I204-R208 PolarHBondContact O-N 3.35Å; S205-R208 PolarHBondContact O-N 2.89Å; R208-Y210 PolarHBondContact O-N 2.74Å; R208-F211 CarbonylContact O-C 3.53Å; R208-F211 PolarHBondContact O-N 2.84Å; R208-L212 HydrophobicContact CG-CD1 3.75Å; R208-L212 HydrophobicContact CG-CG 4.05Å; R208-L212 VanDerWaalsContact O-CG 3.3Å; R208-L212 WeakPolarHBondContact O-CG 3.49Å; R208-L212 PolarHBondContact O-N 3.38Å; R208-I239 HydrophobicContact CG-CG2 4.14Å; R208-W243 VanDerWaalsContact CD-CD2 3.48Å; R208-W243 VanDerWaalsContact CD-CZ2 3.4Å; R208-W243 HydrophobicContact CG-CD2 4.32Å; R208-W243 HydrophobicContact CG-CG 4.37Å; R208-W243 HydrophobicContact CG-CZ2 4.49Å
209	N	97.2	Very high	93.5	Very high	41 Å²	41	33.3 Å²	33.3	22%	0.219	17%	0.166	C	C	.	.	H	α-helix	trans	-58.6	-38.1	-176.4	-67.3	4.5	0	0	0	111.9	I160 S205 L207 D213	I160-N209 HydrophobicContact CG2-CB 3.53Å; I160-N209 WeakPolarHBondContact CG2-OD1 3.37Å; S205-N209 VanDerWaalsContact O-CB 3.24Å; S205-N209 WeakPolarHBondContact O-CB 3.29Å; S205-N209 PolarHBondContact O-N 2.95Å; S205-N209 PolarHBondContact O-OD1 3.09Å; S205-N209 VanDerWaalsContact O-OD1 3.06Å; L207-N209 VanDerWaalsContact C-N 3.33Å; L207-N209 PolarHBondContact O-N 2.89Å; N209-D213 PolarHBondContact O-N 3.05Å
210	Y	95.7	Very high	92.5	Very high	27 Å²	27	34 Å²	34	11%	0.106	17%	0.17	C	C	.	.	H	α-helix	trans	-64.3	-42.8	175.5	-176.3	-90.4	0	0	0	112.4	P206 L207 R208 N216 F217 L292 I311	P206-Y210 WeakPolarHBondContact O-CB 3.49Å; P206-Y210 PolarHBondContact O-N 3.48Å; L207-Y210 WeakPolarHBondContact O-CB 3.44Å; L207-Y210 PolarHBondContact O-N 2.66Å; L207-Y210 VanDerWaalsContact O-N 3.12Å; R208-Y210 PolarHBondContact O-N 2.74Å; Y210-N216 WeakPolarHBondContact CA-ND2 3.47Å; Y210-N216 HydrophobicContact CD1-CB 4.48Å; Y210-N216 HydrophobicContact CD2-CB 3.86Å; Y210-N216 HydrophobicContact CE1-CB 4.26Å; Y210-N216 HydrophobicContact CE2-CB 3.58Å; Y210-N216 HydrophobicContact CG-CB 4.3Å; Y210-N216 PolarHBondContact O-ND2 2.88Å; Y210-N216 PolarHBondContact OH-O 2.79Å; Y210-F217 HydrophobicContact CD1-CD1 4.46Å; Y210-F217 HydrophobicContact CE1-CB 4.42Å; Y210-F217 AromaticContact CE1-CD1 3.99Å; Y210-F217 HydrophobicContact CE1-CD1 3.99Å; Y210-L292 HydrophobicContact CE1-CD1 3.93Å; Y210-L292 HydrophobicContact CE1-CD2 4.13Å; Y210-I311 HydrophobicContact CD1-CB 4.43Å; Y210-I311 HydrophobicContact CD1-CG2 3.64Å; Y210-I311 HydrophobicContact CD2-CB 3.94Å; Y210-I311 HydrophobicContact CD2-CG1 4.17Å; Y210-I311 HydrophobicContact CD2-CG2 4.04Å; Y210-I311 HydrophobicContact CE1-CG2 3.94Å; Y210-I311 HydrophobicContact CE2-CB 4.35Å; Y210-I311 HydrophobicContact CE2-CG2 4.33Å; Y210-I311 HydrophobicContact CG-CB 3.99Å; Y210-I311 HydrophobicContact CG-CG1 4.03Å; Y210-I311 HydrophobicContact CG-CG2 3.69Å
211	F	96.5	Very high	91.1	Very high	3 Å²	3	37.8 Å²	37.8	1%	0.013	19%	0.194	C	C	.	.	H	α-helix	trans	-81.6	-16.2	-178.4	-72.4	-66.2	0	0	0	114.4	L207 R208 F217 V232 F235 S236 I239 I288 L292	L207-F211 WeakPolarHBondContact O-CD2 3.1Å; L207-F211 PolarHBondContact O-N 3.39Å; R208-F211 CarbonylContact O-C 3.53Å; R208-F211 PolarHBondContact O-N 2.84Å; F211-F217 HydrophobicContact CD1-CE1 4.36Å; F211-V232 HydrophobicContact CE1-CG1 4.1Å; F211-F235 AromaticContact CD1-CD1 3.78Å; F211-F235 HydrophobicContact CD1-CD1 3.78Å; F211-F235 HydrophobicContact CD1-CE1 4.32Å; F211-F235 AromaticContact CD2-CD1 3.76Å; F211-F235 HydrophobicContact CD2-CD1 3.76Å; F211-F235 AromaticContact CD2-CE1 3.43Å; F211-F235 HydrophobicContact CD2-CE1 3.43Å; F211-F235 VanDerWaalsContact CD2-CE1 3.43Å; F211-F235 AromaticContact CE1-CD1 3.76Å; F211-F235 HydrophobicContact CE1-CD1 3.76Å; F211-F235 HydrophobicContact CE1-CE1 4.34Å; F211-F235 AromaticContact CE2-CD1 3.76Å; F211-F235 HydrophobicContact CE2-CD1 3.76Å; F211-F235 AromaticContact CE2-CE1 3.48Å; F211-F235 HydrophobicContact CE2-CE1 3.48Å; F211-F235 VanDerWaalsContact CE2-CE1 3.48Å; F211-F235 AromaticContact CG-CD1 3.8Å; F211-F235 HydrophobicContact CG-CD1 3.8Å; F211-F235 AromaticContact CG-CE1 3.9Å; F211-F235 HydrophobicContact CG-CE1 3.9Å; F211-F235 AromaticContact CZ-CD1 3.76Å; F211-F235 HydrophobicContact CZ-CD1 3.76Å; F211-F235 AromaticContact CZ-CE1 3.96Å; F211-F235 HydrophobicContact CZ-CE1 3.96Å; F211-S236 WeakPolarHBondContact O-CB 3.32Å; F211-S236 PolarHBondContact O-OG 2.9Å; F211-I239 HydrophobicContact CB-CB 4.24Å; F211-I239 HydrophobicContact CB-CG1 4.28Å; F211-I239 HydrophobicContact CB-CG2 4.2Å; F211-I288 HydrophobicContact CZ-CG2 3.69Å; F211-L292 HydrophobicContact CZ-CD1 4.2Å
212	L	96.9	Very high	89.4	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-76.2	-33	172.4	-70.3	179.3	0	0	0	112.9	F155 I160 L163 R208 I239 R240 W243	F155-L212 HydrophobicContact CB-CB 4.46Å; F155-L212 HydrophobicContact CD2-CB 4.19Å; F155-L212 HydrophobicContact CD2-CD2 3.85Å; F155-L212 HydrophobicContact CD2-CG 4.47Å; F155-L212 HydrophobicContact CE2-CD2 3.67Å; F155-L212 HydrophobicContact CG-CB 4.36Å; F155-L212 HydrophobicContact CG-CD2 4.42Å; F155-L212 HydrophobicContact CZ-CD2 4.05Å; I160-L212 HydrophobicContact CD1-CB 3.93Å; I160-L212 HydrophobicContact CG1-CB 4.17Å; I160-L212 HydrophobicContact CG1-CD1 4.31Å; L163-L212 HydrophobicContact CD1-CD1 3.3Å; R208-L212 HydrophobicContact CG-CD1 3.75Å; R208-L212 HydrophobicContact CG-CG 4.05Å; R208-L212 VanDerWaalsContact O-CG 3.3Å; R208-L212 WeakPolarHBondContact O-CG 3.49Å; R208-L212 PolarHBondContact O-N 3.38Å; L212-I239 HydrophobicContact CD2-CG2 3.84Å; L212-I239 HydrophobicContact CG-CG2 4.19Å; L212-R240 HydrophobicContact CD2-CB 4.34Å; L212-R240 HydrophobicContact CD2-CG 3.76Å; L212-R240 WeakPolarHBondContact O-CD 3.5Å; L212-W243 HydrophobicContact CD2-CB 3.96Å; L212-W243 HydrophobicContact CD2-CG 4.47Å
213	D	94.7	Very high	87.9	Confident	30 Å²	30	46 Å²	46	16%	0.16	25%	0.248	C	C	.	.			trans	-96	101.8	177.1	-177.6	3.7	0	0	0	110.7	I160 N209 K215 N216	I160-D213 HydrophobicContact CD1-CB 3.83Å; N209-D213 PolarHBondContact O-N 3.05Å; D213-K215 PolarHBondContact O-N 2.86Å; D213-K215 VanDerWaalsContact O-N 3.16Å; D213-K215 VanDerWaalsContact OD1-CB 3.31Å; D213-K215 WeakPolarHBondContact OD1-CB 3.28Å; D213-K215 WeakPolarHBondContact OD1-CG 3.47Å; D213-K215 PolarHBondContact OD1-N 2.99Å; D213-N216 WeakPolarHBondContact CB-ND2 3.39Å; D213-N216 VanDerWaalsContact O-CB 3.25Å; D213-N216 WeakPolarHBondContact O-CB 3.35Å; D213-N216 PolarHBondContact O-N 3.42Å; D213-N216 VanDerWaalsContact O-N 3.12Å; D213-N216 PolarHBondContact O-ND2 2.77Å
214	I	91	Very high	86.2	Confident	39 Å²	39	51.5 Å²	51.5	20%	0.2	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-33.5	-176.8	-56.5	168.6	0	0	0	111.8	N216 F217 E218 R240	I214-N216 PolarHBondContact O-N 2.84Å; I214-F217 HydrophobicContact CB-CZ 4.47Å; I214-F217 HydrophobicContact CG2-CE2 4.49Å; I214-F217 HydrophobicContact CG2-CZ 4.38Å; I214-F217 PolarHBondContact O-N 3.01Å; I214-F217 VanDerWaalsContact O-N 3.11Å; I214-E218 HydrophobicContact CG2-CB 3.99Å; I214-E218 HydrophobicContact CG2-CG 4.36Å; I214-E218 VanDerWaalsContact O-CB 3.32Å; I214-E218 WeakPolarHBondContact O-CB 3.35Å; I214-E218 PolarHBondContact O-N 2.9Å; I214-R240 VanDerWaalsContact CD1-CZ 3.42Å
215	K	89.4	Confident	84.8	Confident	152 Å²	152	55 Å²	55	66%	0.661	32%	0.323	S	S	*	.	H	α-helix	trans	-59	-22.8	-177.9	-59.4	173.7	-177.3	176	0	112.6	D213 F217	D213-K215 PolarHBondContact O-N 2.86Å; D213-K215 VanDerWaalsContact O-N 3.16Å; D213-K215 VanDerWaalsContact OD1-CB 3.31Å; D213-K215 WeakPolarHBondContact OD1-CB 3.28Å; D213-K215 WeakPolarHBondContact OD1-CG 3.47Å; D213-K215 PolarHBondContact OD1-N 2.99Å; K215-F217 PolarHBondContact O-N 2.9Å
216	N	87.9	Confident	83.9	Confident	59 Å²	59	57 Å²	57	32%	0.316	33%	0.333	S	S	.	.	H	α-helix	trans	-66	-23.2	-179.8	-73.4	-35.4	0	0	0	114.4	Y210 D213 I214	Y210-N216 WeakPolarHBondContact CA-ND2 3.47Å; Y210-N216 HydrophobicContact CD1-CB 4.48Å; Y210-N216 HydrophobicContact CD2-CB 3.86Å; Y210-N216 HydrophobicContact CE1-CB 4.26Å; Y210-N216 HydrophobicContact CE2-CB 3.58Å; Y210-N216 HydrophobicContact CG-CB 4.3Å; Y210-N216 PolarHBondContact O-ND2 2.88Å; Y210-N216 PolarHBondContact OH-O 2.79Å; D213-N216 WeakPolarHBondContact CB-ND2 3.39Å; D213-N216 VanDerWaalsContact O-CB 3.25Å; D213-N216 WeakPolarHBondContact O-CB 3.35Å; D213-N216 PolarHBondContact O-N 3.42Å; D213-N216 VanDerWaalsContact O-N 3.12Å; D213-N216 PolarHBondContact O-ND2 2.77Å; I214-N216 PolarHBondContact O-N 2.84Å
217	F	84.8	Confident	83.4	Confident	7 Å²	7	59.1 Å²	59.1	3%	0.031	34%	0.34	C	S	.	.	H	α-helix	trans	-141	-5.6	-175.9	59.1	-92.8	0	0	0	114.1	Y210 F211 I214 K215 L220 M229 V232 S236 L292	Y210-F217 HydrophobicContact CD1-CD1 4.46Å; Y210-F217 HydrophobicContact CE1-CB 4.42Å; Y210-F217 AromaticContact CE1-CD1 3.99Å; Y210-F217 HydrophobicContact CE1-CD1 3.99Å; F211-F217 HydrophobicContact CD1-CE1 4.36Å; I214-F217 HydrophobicContact CB-CZ 4.47Å; I214-F217 HydrophobicContact CG2-CE2 4.49Å; I214-F217 HydrophobicContact CG2-CZ 4.38Å; I214-F217 PolarHBondContact O-N 3.01Å; I214-F217 VanDerWaalsContact O-N 3.11Å; K215-F217 PolarHBondContact O-N 2.9Å; F217-L220 HydrophobicContact CB-CD1 3.73Å; F217-L220 HydrophobicContact CB-CG 4.43Å; F217-L220 WeakPolarHBondContact O-CB 3.29Å; F217-L220 PolarHBondContact O-N 3.2Å; F217-M229 HydrophobicContact CB-CE 4.19Å; F217-M229 HydrophobicContact CD2-CE 3.81Å; F217-M229 HydrophobicContact CG-CE 4.45Å; F217-M229 WeakPolarHBondContact O-CE 3.43Å; F217-V232 HydrophobicContact CD2-CG1 4.16Å; F217-V232 HydrophobicContact CG-CG1 4.27Å; F217-S236 WeakPolarHBondContact CZ-OG 3.25Å; F217-L292 HydrophobicContact CB-CD2 4.39Å
218	E	80.8	Confident	83	Confident	123 Å²	123	61.2 Å²	61.2	58%	0.575	35%	0.35	S	S	*	.	H	α-helix	trans	-60.7	-42.9	176	-174.8	172.2	-157	0	0	113	I214 L220	I214-E218 HydrophobicContact CG2-CB 3.99Å; I214-E218 HydrophobicContact CG2-CG 4.36Å; I214-E218 VanDerWaalsContact O-CB 3.32Å; I214-E218 WeakPolarHBondContact O-CB 3.35Å; I214-E218 PolarHBondContact O-N 2.9Å; E218-L220 PolarHBondContact O-N 2.82Å
219	N	74.8	Confident	82.6	Confident	142 Å²	142	61.3 Å²	61.3	76%	0.759	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	8.8	-178.7	-65.1	-38.8	0	0	0	113.6
220	L	77	Confident	82.2	Confident	20 Å²	20	62 Å²	62	11%	0.105	35%	0.354	C	S	.	.	S	Bend	trans	-72.8	131.7	176.5	-69.8	173.9	0	0	0	109.2	F217 E218 S222 L292 K295 K296	F217-L220 HydrophobicContact CB-CD1 3.73Å; F217-L220 HydrophobicContact CB-CG 4.43Å; F217-L220 WeakPolarHBondContact O-CB 3.29Å; F217-L220 PolarHBondContact O-N 3.2Å; E218-L220 PolarHBondContact O-N 2.82Å; L220-S222 PolarHBondContact O-N 3.34Å; L220-L292 HydrophobicContact CD1-CD2 3.99Å; L220-K295 HydrophobicContact CB-CB 4.24Å; L220-K295 HydrophobicContact CD2-CB 4.22Å; L220-K296 HydrophobicContact CD2-CG 3.94Å
221	P	67.6	Low	82.1	Confident	78 Å²	78	60.7 Å²	60.7	51%	0.506	35%	0.349	S	S	.	.			trans	-54.2	112.5	176.6	21.7	-32.8	0	0	0	109.6	K295	P221-K295 WeakPolarHBondContact CD-O 3.28Å; P221-K295 HydrophobicContact CG-CB 4.1Å; P221-K295 WeakPolarHBondContact CG-O 3.44Å; P221-K295 WeakPolarHBondContact O-CD 3.45Å; P221-K295 WeakPolarHBondContact O-CE 3.5Å; P221-K295 PolarHBondContact O-NZ 2.88Å
222	S	63.6	Low	82	Confident	72 Å²	72	60.6 Å²	60.6	50%	0.503	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-96.6	118.3	172.5	-159.6	0	0	0	0	108.4	L220	L220-S222 PolarHBondContact O-N 3.34Å
223	V	64.7	Low	81.8	Confident	106 Å²	106	64.3 Å²	64.3	64%	0.642	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-73.7	132.2	166	-177.4	0	0	0	0	106.7	G225 D226	V223-G225 PolarHBondContact O-N 3.46Å; V223-G225 VanDerWaalsContact O-N 3.16Å; V223-D226 WeakPolarHBondContact O-CB 3.27Å; V223-D226 PolarHBondContact O-N 3.07Å
224	S	62	Low	81.8	Confident	123 Å²	123	65.3 Å²	65.3	86%	0.86	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	123	173.9	-53.6	0	0	0	0	109.8
225	G	68	Low	82.1	Confident	74 Å²	74	63.7 Å²	63.7	76%	0.763	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.2	4.6	-177.4	0	0	0	0	0	115.8	V223 Q227	V223-G225 PolarHBondContact O-N 3.46Å; V223-G225 VanDerWaalsContact O-N 3.16Å; G225-Q227 PolarHBondContact O-N 3.38Å
226	D	79.2	Confident	82.4	Confident	47 Å²	47	56.5 Å²	56.5	25%	0.251	33%	0.327	S	S	.	.			trans	-73.7	89.9	173.9	-171.7	2.3	0	0	0	112.2	V223 M228 M229 K295	V223-D226 WeakPolarHBondContact O-CB 3.27Å; V223-D226 PolarHBondContact O-N 3.07Å; D226-M228 PolarHBondContact O-N 3.5Å; D226-M228 WeakPolarHBondContact OD1-CB 3.35Å; D226-M228 PolarHBondContact OD1-N 3.05Å; D226-M229 PolarHBondContact O-N 3.09Å; D226-M229 VanDerWaalsContact O-N 3.11Å; D226-K295 WeakPolarHBondContact OD2-CE 3.24Å; D226-K295 IonicContact OD2-NZ 2.87Å; D226-K295 PolarHBondContact OD2-NZ 2.88Å
227	Q	84.6	Confident	82.8	Confident	87 Å²	87	56.1 Å²	56.1	41%	0.407	32%	0.324	S	S	.	.	H	α-helix	trans	-54.7	-31.7	176.3	-63.7	177.2	-14.7	0	0	112.2	G225 M229 L230 L231 L263 C264	G225-Q227 PolarHBondContact O-N 3.38Å; Q227-M229 VanDerWaalsContact C-N 3.29Å; Q227-M229 PolarHBondContact O-N 3.34Å; Q227-L230 WeakPolarHBondContact O-CB 3.42Å; Q227-L230 PolarHBondContact O-N 3.41Å; Q227-L231 PolarHBondContact O-N 2.96Å; Q227-L263 HydrophobicContact CG-CD2 4.35Å; Q227-C264 PolarHBondContact O-SG 3.19Å
228	M	88.4	Confident	83.4	Confident	52 Å²	52	56 Å²	56	26%	0.256	32%	0.324	S	S	.	.	H	α-helix	trans	-69.3	-29.2	-178.1	-60.5	-66.1	127.6	0	0	112.2	D226 L231 V232 C264 A287 A291	D226-M228 PolarHBondContact O-N 3.5Å; D226-M228 WeakPolarHBondContact OD1-CB 3.35Å; D226-M228 PolarHBondContact OD1-N 3.05Å; M228-L231 WeakPolarHBondContact O-CB 3.19Å; M228-L231 PolarHBondContact O-N 2.97Å; M228-V232 PolarHBondContact O-N 3.47Å; M228-C264 HydrophobicContact CE-CB 3.64Å; M228-C264 WeakPolarHBondContact CE-O 3.45Å; M228-C264 HydrophobicContact SD-CB 4.36Å; M228-A287 HydrophobicContact SD-CB 4.47Å; M228-A291 HydrophobicContact CB-CB 3.98Å
229	M	89.2	Confident	84.2	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.02	30%	0.297	C	S	.	.	H	α-helix	trans	-71.3	-35.3	174.7	-166.4	62.2	-152.9	0	0	111.9	F217 D226 Q227 L231 V232 Q233	F217-M229 HydrophobicContact CB-CE 4.19Å; F217-M229 HydrophobicContact CD2-CE 3.81Å; F217-M229 HydrophobicContact CG-CE 4.45Å; F217-M229 WeakPolarHBondContact O-CE 3.43Å; D226-M229 PolarHBondContact O-N 3.09Å; D226-M229 VanDerWaalsContact O-N 3.11Å; Q227-M229 VanDerWaalsContact C-N 3.29Å; Q227-M229 PolarHBondContact O-N 3.34Å; M229-L231 VanDerWaalsContact C-N 3.26Å; M229-L231 PolarHBondContact O-N 2.81Å; M229-V232 HydrophobicContact CE-CB 4.29Å; M229-V232 HydrophobicContact CE-CG1 3.92Å; M229-V232 WeakPolarHBondContact O-CB 3.47Å; M229-V232 PolarHBondContact O-N 2.89Å; M229-V232 VanDerWaalsContact O-N 3.14Å; M229-V232 HydrophobicContact SD-CB 4.3Å; M229-V232 HydrophobicContact SD-CG1 4.39Å; M229-Q233 HydrophobicContact CE-CG 4.14Å; M229-Q233 WeakPolarHBondContact O-CG 3.48Å; M229-Q233 PolarHBondContact O-N 3.41Å
230	L	90	Very high	85.3	Confident	55 Å²	55	44 Å²	44	29%	0.288	26%	0.262	S	S	.	.	H	α-helix	trans	-58.6	-42	172.7	179	65.7	0	0	0	110.4	Q227 V232 Q233 R234 A260 L263	Q227-L230 WeakPolarHBondContact O-CB 3.42Å; Q227-L230 PolarHBondContact O-N 3.41Å; L230-V232 VanDerWaalsContact C-N 3.33Å; L230-V232 PolarHBondContact O-N 2.63Å; L230-Q233 PolarHBondContact O-N 2.92Å; L230-R234 HydrophobicContact CD1-CG 4.06Å; L230-R234 HydrophobicContact CG-CG 4.32Å; L230-R234 WeakPolarHBondContact O-CB 3.47Å; L230-R234 WeakPolarHBondContact O-CG 3.35Å; L230-R234 PolarHBondContact O-N 3.12Å; L230-A260 HydrophobicContact CG-CB 4.34Å; L230-L263 HydrophobicContact CD2-CD2 4.13Å
231	L	93.9	Very high	86.2	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57.7	-44.8	174.5	-176.3	67.9	0	0	0	112	Q227 M228 M229 F235 F257 A260 V261 C264 W283 L284 A287	Q227-L231 PolarHBondContact O-N 2.96Å; M228-L231 WeakPolarHBondContact O-CB 3.19Å; M228-L231 PolarHBondContact O-N 2.97Å; M229-L231 VanDerWaalsContact C-N 3.26Å; M229-L231 PolarHBondContact O-N 2.81Å; L231-F235 VanDerWaalsContact O-CB 3.23Å; L231-F235 WeakPolarHBondContact O-CB 3.33Å; L231-F235 PolarHBondContact O-N 2.71Å; L231-F257 HydrophobicContact CD1-CD2 4.44Å; L231-F257 HydrophobicContact CD1-CE2 3.68Å; L231-F257 HydrophobicContact CD1-CZ 4.11Å; L231-A260 HydrophobicContact CD1-CB 4.48Å; L231-V261 HydrophobicContact CD1-CG2 3.81Å; L231-C264 HydrophobicContact CD2-CB 4.48Å; L231-W283 HydrophobicContact CD1-CH2 4.1Å; L231-W283 HydrophobicContact CD2-CH2 3.81Å; L231-W283 HydrophobicContact CD2-CZ2 4.19Å; L231-L284 HydrophobicContact CD1-CD1 4.38Å; L231-L284 HydrophobicContact CD2-CD1 4.18Å; L231-L284 HydrophobicContact CG-CD1 4.48Å; L231-A287 HydrophobicContact CD2-CB 3.86Å
232	V	94.3	Very high	87.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.8	-44.4	177.7	172.4	0	0	0	0	111.4	F211 F217 M228 M229 L230 F235 S236 A291 L292	F211-V232 HydrophobicContact CE1-CG1 4.1Å; F217-V232 HydrophobicContact CD2-CG1 4.16Å; F217-V232 HydrophobicContact CG-CG1 4.27Å; M228-V232 PolarHBondContact O-N 3.47Å; M229-V232 HydrophobicContact CE-CB 4.29Å; M229-V232 HydrophobicContact CE-CG1 3.92Å; M229-V232 WeakPolarHBondContact O-CB 3.47Å; M229-V232 PolarHBondContact O-N 2.89Å; M229-V232 VanDerWaalsContact O-N 3.14Å; M229-V232 HydrophobicContact SD-CB 4.3Å; M229-V232 HydrophobicContact SD-CG1 4.39Å; L230-V232 VanDerWaalsContact C-N 3.33Å; L230-V232 PolarHBondContact O-N 2.63Å; V232-F235 PolarHBondContact O-N 2.77Å; V232-S236 PolarHBondContact O-N 3.38Å; V232-A291 HydrophobicContact CG2-CB 3.65Å; V232-L292 HydrophobicContact CG1-CD2 3.96Å; V232-L292 HydrophobicContact CG2-CD2 4.48Å
233	Q	93.1	Very high	89.2	Confident	80 Å²	80	37 Å²	37	37%	0.374	21%	0.214	S	C	.	.	H	α-helix	trans	-64.1	-49.2	178.6	-71.7	172.1	-18.3	0	0	111.5	M229 L230 F235 S236 E237	M229-Q233 HydrophobicContact CE-CG 4.14Å; M229-Q233 WeakPolarHBondContact O-CG 3.48Å; M229-Q233 PolarHBondContact O-N 3.41Å; L230-Q233 PolarHBondContact O-N 2.92Å; Q233-F235 VanDerWaalsContact C-N 3.3Å; Q233-F235 PolarHBondContact O-N 3.44Å; Q233-S236 WeakPolarHBondContact O-CB 3.24Å; Q233-S236 PolarHBondContact O-N 3.16Å; Q233-E237 WeakPolarHBondContact O-CG 3.43Å; Q233-E237 PolarHBondContact O-N 3.03Å
234	R	94.5	Very high	90.7	Very high	52 Å²	52	32 Å²	32	20%	0.196	18%	0.183	C	C	.	.	H	α-helix	trans	-65	-34.5	177.4	-63.8	-47.4	-170.3	173.6	6.2	112.4	L230 E237 L238 E256 F257 A260	L230-R234 HydrophobicContact CD1-CG 4.06Å; L230-R234 HydrophobicContact CG-CG 4.32Å; L230-R234 WeakPolarHBondContact O-CB 3.47Å; L230-R234 WeakPolarHBondContact O-CG 3.35Å; L230-R234 PolarHBondContact O-N 3.12Å; R234-E237 WeakPolarHBondContact CD-OE2 3.49Å; R234-E237 IonicContact CZ-OE2 3.39Å; R234-E237 IonicContact NE-OE2 3.72Å; R234-E237 IonicContact NH1-OE1 3.77Å; R234-E237 IonicContact NH1-OE2 3.86Å; R234-E237 PolarHBondContact NH1-OE2 3.18Å; R234-L238 WeakPolarHBondContact O-CB 3.15Å; R234-L238 PolarHBondContact O-N 3.43Å; R234-E256 VanDerWaalsContact CZ-CD 3.48Å; R234-E256 IonicContact CZ-OE1 3.99Å; R234-E256 IonicContact CZ-OE2 3.09Å; R234-E256 IonicContact NE-OE1 2.74Å; R234-E256 VanDerWaalsContact NH1-CD 3.33Å; R234-E256 IonicContact NH1-OE1 3.4Å; R234-E256 PolarHBondContact NH1-OE1 2.89Å; R234-E256 IonicContact NH1-OE2 3.69Å; R234-E256 PolarHBondContact NH1-OE2 3.29Å; R234-E256 IonicContact NH2-OE1 2.92Å; R234-E256 PolarHBondContact NH2-OE1 3.02Å; R234-E256 IonicContact NH2-OE2 2.65Å; R234-F257 HydrophobicContact CB-CB 4.38Å; R234-F257 HydrophobicContact CB-CD2 4.11Å; R234-A260 HydrophobicContact CB-CB 4.13Å; R234-A260 HydrophobicContact CG-CB 3.85Å
235	F	96.8	Very high	92.3	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.018	15%	0.153	C	C	.	.	H	α-helix	trans	-62.6	-47.9	172.6	-173	-110.9	0	0	0	110.6	L198 L201 F211 L231 V232 Q233 E237 L238 I239 F257 I288	L198-F235 HydrophobicContact CD2-CD2 4.01Å; L198-F235 HydrophobicContact CD2-CE2 3.72Å; L201-F235 HydrophobicContact CB-CZ 4.12Å; L201-F235 HydrophobicContact CD1-CZ 4.32Å; F211-F235 AromaticContact CD1-CD1 3.78Å; F211-F235 HydrophobicContact CD1-CD1 3.78Å; F211-F235 HydrophobicContact CD1-CE1 4.32Å; F211-F235 AromaticContact CD2-CD1 3.76Å; F211-F235 HydrophobicContact CD2-CD1 3.76Å; F211-F235 AromaticContact CD2-CE1 3.43Å; F211-F235 HydrophobicContact CD2-CE1 3.43Å; F211-F235 VanDerWaalsContact CD2-CE1 3.43Å; F211-F235 AromaticContact CE1-CD1 3.76Å; F211-F235 HydrophobicContact CE1-CD1 3.76Å; F211-F235 HydrophobicContact CE1-CE1 4.34Å; F211-F235 AromaticContact CE2-CD1 3.76Å; F211-F235 HydrophobicContact CE2-CD1 3.76Å; F211-F235 AromaticContact CE2-CE1 3.48Å; F211-F235 HydrophobicContact CE2-CE1 3.48Å; F211-F235 VanDerWaalsContact CE2-CE1 3.48Å; F211-F235 AromaticContact CG-CD1 3.8Å; F211-F235 HydrophobicContact CG-CD1 3.8Å; F211-F235 AromaticContact CG-CE1 3.9Å; F211-F235 HydrophobicContact CG-CE1 3.9Å; F211-F235 AromaticContact CZ-CD1 3.76Å; F211-F235 HydrophobicContact CZ-CD1 3.76Å; F211-F235 AromaticContact CZ-CE1 3.96Å; F211-F235 HydrophobicContact CZ-CE1 3.96Å; L231-F235 VanDerWaalsContact O-CB 3.23Å; L231-F235 WeakPolarHBondContact O-CB 3.33Å; L231-F235 PolarHBondContact O-N 2.71Å; V232-F235 PolarHBondContact O-N 2.77Å; Q233-F235 VanDerWaalsContact C-N 3.3Å; Q233-F235 PolarHBondContact O-N 3.44Å; F235-E237 PolarHBondContact O-N 3.24Å; F235-L238 PolarHBondContact O-N 2.88Å; F235-I239 HydrophobicContact CD1-CG1 4.23Å; F235-I239 HydrophobicContact CE1-CD1 4.3Å; F235-I239 HydrophobicContact CE1-CG1 3.94Å; F235-I239 HydrophobicContact CE2-CD1 4.16Å; F235-I239 HydrophobicContact CE2-CG1 4.31Å; F235-I239 HydrophobicContact CZ-CD1 3.87Å; F235-I239 HydrophobicContact CZ-CG1 3.99Å; F235-I239 VanDerWaalsContact O-CG1 3.27Å; F235-I239 WeakPolarHBondContact O-CG1 3.37Å; F235-I239 PolarHBondContact O-N 3.16Å; F235-F257 HydrophobicContact CB-CD2 4.14Å; F235-F257 HydrophobicContact CB-CE2 3.78Å; F235-F257 HydrophobicContact CD2-CD2 4.41Å; F235-F257 AromaticContact CD2-CE2 3.75Å; F235-F257 HydrophobicContact CD2-CE2 3.75Å; F235-F257 HydrophobicContact CD2-CZ 4.06Å; F235-F257 HydrophobicContact CG-CE2 4.25Å; F235-I288 HydrophobicContact CD1-CD1 3.89Å; F235-I288 HydrophobicContact CD2-CD1 4.35Å; F235-I288 HydrophobicContact CE1-CD1 4.16Å; F235-I288 HydrophobicContact CG-CD1 3.99Å
236	S	96.3	Very high	93.5	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.007	14%	0.139	C	C	.	.	H	α-helix	trans	-58.5	-48	175.2	169.2	0	0	0	0	112.9	F211 F217 V232 Q233 L238 I239 R240	F211-S236 WeakPolarHBondContact O-CB 3.32Å; F211-S236 PolarHBondContact O-OG 2.9Å; F217-S236 WeakPolarHBondContact CZ-OG 3.25Å; V232-S236 PolarHBondContact O-N 3.38Å; Q233-S236 WeakPolarHBondContact O-CB 3.24Å; Q233-S236 PolarHBondContact O-N 3.16Å; S236-L238 VanDerWaalsContact C-N 3.28Å; S236-L238 PolarHBondContact O-N 3.48Å; S236-I239 PolarHBondContact O-N 3.49Å; S236-R240 WeakPolarHBondContact O-CB 3.43Å; S236-R240 WeakPolarHBondContact O-CG 3.32Å; S236-R240 PolarHBondContact O-N 3.32Å; S236-R240 PolarHBondContact OG-NE 3.11Å
237	E	95.5	Very high	94.2	Very high	51 Å²	51	28.3 Å²	28.3	24%	0.238	13%	0.13	C	C	.	.	H	α-helix	trans	-55.6	-45.3	177.7	-74.6	170	-173.6	0	0	111.6	Q233 R234 F235 R240 K241	Q233-E237 WeakPolarHBondContact O-CG 3.43Å; Q233-E237 PolarHBondContact O-N 3.03Å; R234-E237 WeakPolarHBondContact CD-OE2 3.49Å; R234-E237 IonicContact CZ-OE2 3.39Å; R234-E237 IonicContact NE-OE2 3.72Å; R234-E237 IonicContact NH1-OE1 3.77Å; R234-E237 IonicContact NH1-OE2 3.86Å; R234-E237 PolarHBondContact NH1-OE2 3.18Å; F235-E237 PolarHBondContact O-N 3.24Å; E237-R240 PolarHBondContact O-N 2.95Å; E237-K241 VanDerWaalsContact O-CG 3.31Å; E237-K241 WeakPolarHBondContact O-CG 3.48Å; E237-K241 PolarHBondContact O-N 2.89Å
238	L	97.3	Very high	94.7	Very high	6 Å²	6	24.9 Å²	24.9	3%	0.031	11%	0.113	C	C	.	.	H	α-helix	trans	-62.5	-46.8	176.8	-177.5	62.9	0	0	0	111.9	L185 L198 R234 F235 S236 R240 K241 L242 V252 P254 F257	L185-L238 HydrophobicContact CD2-CD1 4.17Å; L198-L238 HydrophobicContact CB-CD2 4.42Å; L198-L238 HydrophobicContact CD1-CD2 3.74Å; L198-L238 HydrophobicContact CD2-CD2 4.27Å; L198-L238 HydrophobicContact CG-CD2 4.34Å; R234-L238 WeakPolarHBondContact O-CB 3.15Å; R234-L238 PolarHBondContact O-N 3.43Å; F235-L238 PolarHBondContact O-N 2.88Å; S236-L238 VanDerWaalsContact C-N 3.28Å; S236-L238 PolarHBondContact O-N 3.48Å; L238-R240 VanDerWaalsContact C-N 3.3Å; L238-R240 PolarHBondContact O-N 3.16Å; L238-K241 PolarHBondContact O-N 3.1Å; L238-L242 HydrophobicContact CD1-CG 4.45Å; L238-L242 HydrophobicContact CG-CD1 4.26Å; L238-L242 HydrophobicContact CG-CG 4.46Å; L238-L242 WeakPolarHBondContact O-CG 3.49Å; L238-L242 PolarHBondContact O-N 3.34Å; L238-V252 HydrophobicContact CD1-CG1 3.85Å; L238-P254 HydrophobicContact CD1-CB 4.21Å; L238-P254 HydrophobicContact CD2-CB 4.12Å; L238-F257 HydrophobicContact CB-CB 4.48Å; L238-F257 HydrophobicContact CD2-CB 4.09Å; L238-F257 HydrophobicContact CD2-CD1 4.11Å; L238-F257 HydrophobicContact CD2-CG 4.05Å
239	I	97.8	Very high	94.9	Very high	1 Å²	1	24 Å²	24	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-60	-41.7	177.9	-63.6	-63.2	0	0	0	110.9	R208 F211 L212 F235 S236 K241 L242 W243	R208-I239 HydrophobicContact CG-CG2 4.14Å; F211-I239 HydrophobicContact CB-CB 4.24Å; F211-I239 HydrophobicContact CB-CG1 4.28Å; F211-I239 HydrophobicContact CB-CG2 4.2Å; L212-I239 HydrophobicContact CD2-CG2 3.84Å; L212-I239 HydrophobicContact CG-CG2 4.19Å; F235-I239 HydrophobicContact CD1-CG1 4.23Å; F235-I239 HydrophobicContact CE1-CD1 4.3Å; F235-I239 HydrophobicContact CE1-CG1 3.94Å; F235-I239 HydrophobicContact CE2-CD1 4.16Å; F235-I239 HydrophobicContact CE2-CG1 4.31Å; F235-I239 HydrophobicContact CZ-CD1 3.87Å; F235-I239 HydrophobicContact CZ-CG1 3.99Å; F235-I239 VanDerWaalsContact O-CG1 3.27Å; F235-I239 WeakPolarHBondContact O-CG1 3.37Å; F235-I239 PolarHBondContact O-N 3.16Å; S236-I239 PolarHBondContact O-N 3.49Å; I239-K241 VanDerWaalsContact C-N 3.35Å; I239-K241 PolarHBondContact O-N 3.14Å; I239-L242 HydrophobicContact CD1-CD1 4.43Å; I239-L242 PolarHBondContact O-N 2.78Å; I239-W243 PolarHBondContact O-N 3.35Å; I239-W243 VanDerWaalsContact O-N 3.07Å
240	R	97.5	Very high	95.2	Very high	10 Å²	10	25.2 Å²	25.2	4%	0.038	12%	0.116	C	C	.	.	H	α-helix	trans	-64.4	-37.2	177.4	-72.2	-176.9	-56.3	127.2	-6.7	112.5	N152 P153 F155 L212 I214 S236 E237 L238 N244	N152-R240 VanDerWaalsContact OD1-CZ 3.24Å; N152-R240 PolarHBondContact OD1-NH1 2.87Å; N152-R240 PolarHBondContact OD1-NH2 3.23Å; P153-R240 HydrophobicContact CB-CB 4.3Å; P153-R240 WeakPolarHBondContact O-CD 3.31Å; P153-R240 PolarHBondContact O-NH1 3.43Å; F155-R240 HydrophobicContact CD2-CG 4.2Å; F155-R240 HydrophobicContact CE2-CB 3.97Å; F155-R240 HydrophobicContact CE2-CG 4.03Å; L212-R240 HydrophobicContact CD2-CB 4.34Å; L212-R240 HydrophobicContact CD2-CG 3.76Å; L212-R240 WeakPolarHBondContact O-CD 3.5Å; I214-R240 VanDerWaalsContact CD1-CZ 3.42Å; S236-R240 WeakPolarHBondContact O-CB 3.43Å; S236-R240 WeakPolarHBondContact O-CG 3.32Å; S236-R240 PolarHBondContact O-N 3.32Å; S236-R240 PolarHBondContact OG-NE 3.11Å; E237-R240 PolarHBondContact O-N 2.95Å; L238-R240 VanDerWaalsContact C-N 3.3Å; L238-R240 PolarHBondContact O-N 3.16Å; R240-N244 WeakPolarHBondContact O-CB 3.25Å; R240-N244 PolarHBondContact O-N 3.43Å
241	K	97	Very high	95.4	Very high	18 Å²	18	25.3 Å²	25.3	8%	0.078	12%	0.115	C	C	.	.	H	α-helix	trans	-70.9	-40.8	174.4	-71.2	171.8	171.6	-164.7	0	113.3	F76 D77 P153 E237 L238 I239 W243 N244 N247 V252	F76-K241 PolarHBondContact O-NZ 3.16Å; D77-K241 WeakPolarHBondContact OD1-CD 3.47Å; D77-K241 IonicContact OD1-NZ 3.34Å; D77-K241 PolarHBondContact OD1-NZ 2.85Å; P153-K241 HydrophobicContact CG-CG 4.2Å; E237-K241 VanDerWaalsContact O-CG 3.31Å; E237-K241 WeakPolarHBondContact O-CG 3.48Å; E237-K241 PolarHBondContact O-N 2.89Å; L238-K241 PolarHBondContact O-N 3.1Å; I239-K241 VanDerWaalsContact C-N 3.35Å; I239-K241 PolarHBondContact O-N 3.14Å; K241-W243 VanDerWaalsContact C-N 3.28Å; K241-W243 PolarHBondContact O-N 2.88Å; K241-N244 VanDerWaalsContact O-CB 3.31Å; K241-N244 WeakPolarHBondContact O-CB 3.3Å; K241-N244 PolarHBondContact O-N 3.2Å; K241-N247 PolarHBondContact O-ND2 3.1Å; K241-N247 VanDerWaalsContact O-ND2 3.09Å; K241-V252 HydrophobicContact CB-CG1 3.88Å; K241-V252 HydrophobicContact CB-CG2 4.23Å; K241-V252 HydrophobicContact CD-CG1 4.25Å
242	L	97	Very high	95.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.8	-40.6	175.6	-75.6	175.6	0	0	0	111.7	G181 V183 L185 L238 I239 V252	G181-L242 WeakPolarHBondContact CA-O 3.23Å; G181-L242 PolarHBondContact N-O 3.45Å; V183-L242 HydrophobicContact CG2-CB 4.36Å; V183-L242 HydrophobicContact CG2-CD2 3.36Å; V183-L242 HydrophobicContact CG2-CG 4.47Å; L185-L242 HydrophobicContact CD2-CD2 3.72Å; L185-L242 HydrophobicContact CG-CD2 4.1Å; L238-L242 HydrophobicContact CD1-CG 4.45Å; L238-L242 HydrophobicContact CG-CD1 4.26Å; L238-L242 HydrophobicContact CG-CG 4.46Å; L238-L242 WeakPolarHBondContact O-CG 3.49Å; L238-L242 PolarHBondContact O-N 3.34Å; I239-L242 HydrophobicContact CD1-CD1 4.43Å; I239-L242 PolarHBondContact O-N 2.78Å; L242-V252 HydrophobicContact CD2-CB 4.38Å; L242-V252 HydrophobicContact CD2-CG2 4.46Å
243	W	97.1	Very high	95.6	Very high	6 Å²	6	25.7 Å²	25.7	2%	0.023	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	7.5	-179.3	-73.7	85.6	0	0	0	114	F155 L163 P180 S202 H203 R208 L212 I239 K241 P245	F155-W243 HydrophobicContact CE1-CB 4.47Å; F155-W243 WeakPolarHBondContact CE1-O 3.36Å; F155-W243 HydrophobicContact CZ-CB 4.14Å; F155-W243 VanDerWaalsContact CZ-O 3.31Å; F155-W243 WeakPolarHBondContact CZ-O 3.33Å; L163-W243 HydrophobicContact CB-CZ3 4.28Å; L163-W243 HydrophobicContact CD1-CE3 4.16Å; L163-W243 HydrophobicContact CD2-CE3 4.13Å; P180-W243 HydrophobicContact CB-CE3 4.19Å; P180-W243 WeakPolarHBondContact O-CZ3 3.17Å; S202-W243 PolarHBondContact O-NE1 3.2Å; S202-W243 VanDerWaalsContact O-NE1 3.16Å; H203-W243 AromaticContact CE1-CZ2 3.82Å; H203-W243 AromaticContact ND1-CZ2 3.89Å; R208-W243 VanDerWaalsContact CD-CD2 3.48Å; R208-W243 VanDerWaalsContact CD-CZ2 3.4Å; R208-W243 HydrophobicContact CG-CD2 4.32Å; R208-W243 HydrophobicContact CG-CG 4.37Å; R208-W243 HydrophobicContact CG-CZ2 4.49Å; L212-W243 HydrophobicContact CD2-CB 3.96Å; L212-W243 HydrophobicContact CD2-CG 4.47Å; I239-W243 PolarHBondContact O-N 3.35Å; I239-W243 VanDerWaalsContact O-N 3.07Å; K241-W243 VanDerWaalsContact C-N 3.28Å; K241-W243 PolarHBondContact O-N 2.88Å; W243-P245 VanDerWaalsContact O-CD 3.25Å; W243-P245 WeakPolarHBondContact O-CD 3.34Å
244	N	96	Very high	95.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.099	C	C	.	.			trans	-66.4	118.5	178.4	176.6	4.5	0	0	0	110.1	Y149 P153 Y178 R240 K241 R246 N247	Y149-N244 WeakPolarHBondContact CD1-OD1 3.47Å; Y149-N244 WeakPolarHBondContact CE1-OD1 3.48Å; P153-N244 HydrophobicContact CB-CB 4.11Å; P153-N244 HydrophobicContact CG-CB 3.99Å; Y178-N244 PolarHBondContact OH-O 2.93Å; R240-N244 WeakPolarHBondContact O-CB 3.25Å; R240-N244 PolarHBondContact O-N 3.43Å; K241-N244 VanDerWaalsContact O-CB 3.31Å; K241-N244 WeakPolarHBondContact O-CB 3.3Å; K241-N244 PolarHBondContact O-N 3.2Å; N244-R246 VanDerWaalsContact C-N 3.27Å; N244-R246 PolarHBondContact O-N 3.31Å; N244-R246 WeakPolarHBondContact OD1-CA 3.33Å; N244-R246 PolarHBondContact OD1-N 2.95Å; N244-N247 WeakPolarHBondContact CB-OD1 3.42Å; N244-N247 PolarHBondContact ND2-OD1 2.81Å; N244-N247 PolarHBondContact O-ND2 2.83Å
245	P	94.5	Very high	95.7	Very high	35 Å²	35	21.5 Å²	21.5	23%	0.227	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-11.1	176.8	30.2	-33.9	0	0	0	113.6	V170 Y178 P180 W243	V170-P245 WeakPolarHBondContact CG1-O 3.25Å; V170-P245 HydrophobicContact CG2-CB 4.28Å; Y178-P245 PolarHBondContact OH-O 3.29Å; P180-P245 HydrophobicContact CG-CB 4.16Å; W243-P245 VanDerWaalsContact O-CD 3.25Å; W243-P245 WeakPolarHBondContact O-CD 3.34Å
246	R	94.1	Very high	95.5	Very high	125 Å²	125	22 Å²	22	47%	0.472	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	32.3	-174.9	-53.4	178.4	-169.1	-179.6	3.6	112.4	Y149 Y178 N244	Y149-R246 HydrophobicContact CD1-CB 3.95Å; Y149-R246 HydrophobicContact CD1-CG 4.22Å; Y149-R246 HydrophobicContact CE1-CB 4.21Å; Y149-R246 HydrophobicContact CE1-CG 4.18Å; Y178-R246 PolarHBondContact OH-N 2.91Å; N244-R246 VanDerWaalsContact C-N 3.27Å; N244-R246 PolarHBondContact O-N 3.31Å; N244-R246 WeakPolarHBondContact OD1-CA 3.33Å; N244-R246 PolarHBondContact OD1-N 2.95Å
247	N	94.2	Very high	95.5	Very high	8 Å²	8	22 Å²	22	4%	0.043	10%	0.102	C	C	.	.			trans	-63.3	146.8	177.6	-80.3	-40.1	0	0	0	112.6	A172 Y173 Y178 K241 N244 K249	A172-N247 WeakPolarHBondContact CA-O 3.46Å; A172-N247 WeakPolarHBondContact CB-O 3.47Å; Y173-N247 PolarHBondContact N-O 3.42Å; Y178-N247 WeakPolarHBondContact OH-CB 3.27Å; Y178-N247 PolarHBondContact OH-N 3.37Å; K241-N247 PolarHBondContact O-ND2 3.1Å; K241-N247 VanDerWaalsContact O-ND2 3.09Å; N244-N247 WeakPolarHBondContact CB-OD1 3.42Å; N244-N247 PolarHBondContact ND2-OD1 2.81Å; N244-N247 PolarHBondContact O-ND2 2.83Å; N247-K249 VanDerWaalsContact C-N 3.35Å; N247-K249 VanDerWaalsContact CB-O 3.23Å; N247-K249 WeakPolarHBondContact CB-O 3.5Å
248	F	94.6	Very high	95.5	Very high	14 Å²	14	19.8 Å²	19.8	6%	0.061	9%	0.092	C	C	.	.	S	Bend	trans	-79.2	-21.1	173.8	-69.9	-1.2	0	0	0	113.3	R71 L74 D146 I147 L150 Y173 N174	R71-F248 HydrophobicContact CB-CD2 3.93Å; R71-F248 HydrophobicContact CB-CE2 3.7Å; R71-F248 HydrophobicContact CB-CZ 4.24Å; R71-F248 HydrophobicContact CG-CD2 4.49Å; R71-F248 HydrophobicContact CG-CE2 3.77Å; R71-F248 HydrophobicContact CG-CZ 3.96Å; R71-F248 VanDerWaalsContact O-CD2 3.24Å; R71-F248 WeakPolarHBondContact O-CD2 3.39Å; L74-F248 HydrophobicContact CB-CD2 4.39Å; L74-F248 HydrophobicContact CB-CE2 4.41Å; L74-F248 HydrophobicContact CD1-CE2 4.15Å; D146-F248 HydrophobicContact CB-CE1 4.13Å; D146-F248 HydrophobicContact CB-CZ 4.35Å; D146-F248 WeakPolarHBondContact OD2-CZ 3.29Å; I147-F248 HydrophobicContact CG1-CE2 4.17Å; I147-F248 HydrophobicContact CG1-CZ 3.9Å; L150-F248 HydrophobicContact CD1-CG 4.37Å; L150-F248 HydrophobicContact CD2-CB 4.17Å; L150-F248 HydrophobicContact CD2-CD1 4.21Å; L150-F248 HydrophobicContact CD2-CD2 3.26Å; L150-F248 HydrophobicContact CD2-CE1 4.44Å; L150-F248 HydrophobicContact CD2-CE2 3.52Å; L150-F248 HydrophobicContact CD2-CG 3.63Å; L150-F248 HydrophobicContact CD2-CZ 4.13Å; Y173-F248 HydrophobicContact CG-CD1 4.49Å; Y173-F248 PolarHBondContact N-O 3.07Å; N174-F248 PolarHBondContact N-O 3.22Å
249	K	93.4	Very high	95.3	Very high	33 Å²	33	22.3 Å²	22.3	14%	0.143	10%	0.103	C	C	.	.	S	Bend	trans	-135.9	155.9	-179.4	48.5	173.3	-177.5	171.6	0	110.1	D75 D77 N247 H251	D75-K249 IonicContact OD1-NZ 3.58Å; D75-K249 PolarHBondContact OD1-NZ 3.43Å; D75-K249 IonicContact OD2-NZ 3.59Å; D75-K249 PolarHBondContact OD2-NZ 3.24Å; D77-K249 WeakPolarHBondContact OD2-CE 3.03Å; D77-K249 IonicContact OD2-NZ 3.68Å; D77-K249 PolarHBondContact OD2-NZ 3.08Å; N247-K249 VanDerWaalsContact C-N 3.35Å; N247-K249 VanDerWaalsContact CB-O 3.23Å; N247-K249 WeakPolarHBondContact CB-O 3.5Å; K249-H251 WeakPolarHBondContact CD-O 3.36Å; K249-H251 VanDerWaalsContact CE-O 3.32Å; K249-H251 WeakPolarHBondContact CE-O 3.21Å; K249-H251 WeakPolarHBondContact CG-O 3.34Å; K249-H251 PolarHBondContact O-N 2.84Å
250	T	93.8	Very high	95.1	Very high	30 Å²	30	22.4 Å²	22.4	18%	0.184	10%	0.104	C	C	.	.	S	Bend	trans	-87.1	19.5	-178.6	52	0	0	0	0	113.9	A172 L176 Y178 G184	A172-T250 HydrophobicContact CB-CG2 3.97Å; L176-T250 HydrophobicContact CB-CG2 3.55Å; L176-T250 HydrophobicContact CD1-CG2 4.42Å; Y178-T250 HydrophobicContact CD1-CG2 3.77Å; Y178-T250 HydrophobicContact CG-CG2 4.12Å; G184-T250 PolarHBondContact N-O 3.5Å
251	H	94.8	Very high	95	Very high	58 Å²	58	22 Å²	22	27%	0.269	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	154.1	178.7	57.5	-90.8	0	0	0	110.9	G184 N186 K249 L501	G184-H251 CarbonylContact O-C 3.37Å; G184-H251 WeakPolarHBondContact O-CA 3.07Å; G184-H251 WeakPolarHBondContact O-CB 3.38Å; N186-H251 PolarHBondContact OD1-CD2 2.83Å; N186-H251 VanDerWaalsContact OD1-CD2 3.24Å; K249-H251 WeakPolarHBondContact CD-O 3.36Å; K249-H251 VanDerWaalsContact CE-O 3.32Å; K249-H251 WeakPolarHBondContact CE-O 3.21Å; K249-H251 WeakPolarHBondContact CG-O 3.34Å; K249-H251 PolarHBondContact O-N 2.84Å; H251-L501 HydrophobicContact CB-CD2 3.53Å
252	V	96.3	Very high	94.9	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.012	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	137.2	-179.1	178.8	0	0	0	0	108.8	V183 G184 L185 N186 L238 K241 L242	V183-V252 HydrophobicContact CG2-CG2 4.33Å; G184-V252 PolarHBondContact O-N 2.73Å; L185-V252 WeakPolarHBondContact CA-O 3.2Å; L185-V252 HydrophobicContact CD2-CB 4.23Å; L185-V252 WeakPolarHBondContact CD2-O 3.33Å; N186-V252 PolarHBondContact N-O 3.47Å; N186-V252 VanDerWaalsContact N-O 3.08Å; N186-V252 PolarHBondContact OD1-O 2.77Å; L238-V252 HydrophobicContact CD1-CG1 3.85Å; K241-V252 HydrophobicContact CB-CG1 3.88Å; K241-V252 HydrophobicContact CB-CG2 4.23Å; K241-V252 HydrophobicContact CD-CG1 4.25Å; L242-V252 HydrophobicContact CD2-CB 4.38Å; L242-V252 HydrophobicContact CD2-CG2 4.46Å
253	S	95.6	Very high	94.8	Very high	5 Å²	5	26.8 Å²	26.8	4%	0.035	13%	0.13	C	C	.	.			trans	-86.3	124.8	171.8	176.3	0	0	0	0	110.4	D77 H255	D77-S253 WeakPolarHBondContact CB-O 3.46Å; D77-S253 PolarHBondContact OD2-N 3.26Å; S253-H255 PolarHBondContact O-N 2.95Å; S253-H255 WeakPolarHBondContact OG-CB 3.33Å
254	P	95.6	Very high	94.6	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	13%	0.132	C	C	.	.			trans	-81.9	17.2	177.5	33.6	-34	0	0	0	112.9	L185 L198 L238 E256 F257 L258	L185-P254 HydrophobicContact CD2-CB 4.23Å; L185-P254 HydrophobicContact CD2-CG 4.31Å; L198-P254 HydrophobicContact CD1-CB 4.42Å; L238-P254 HydrophobicContact CD1-CB 4.21Å; L238-P254 HydrophobicContact CD2-CB 4.12Å; P254-E256 PolarHBondContact O-N 2.91Å; P254-F257 PolarHBondContact O-N 3.26Å; P254-F257 VanDerWaalsContact O-N 3.15Å; P254-L258 HydrophobicContact CB-CD1 4.39Å; P254-L258 HydrophobicContact CB-CG 4.35Å; P254-L258 HydrophobicContact CG-CD1 3.95Å; P254-L258 HydrophobicContact CG-CG 4.43Å; P254-L258 WeakPolarHBondContact O-CG 3.21Å; P254-L258 PolarHBondContact O-N 2.78Å
255	H	94	Very high	94.5	Very high	44 Å²	44	27.4 Å²	27.4	20%	0.204	14%	0.135	C	C	.	.	H	α-helix	trans	-56.8	-51.4	-167.7	-173.2	65.3	0	0	0	114.2	F78 I188 S253 F257 L258 Q259	F78-H255 HydrophobicContact CD1-CB 4.21Å; F78-H255 AromaticContact CD1-CD2 3.86Å; F78-H255 HydrophobicContact CE1-CB 4.42Å; I188-H255 HydrophobicContact CD1-CB 3.79Å; I188-H255 VanDerWaalsContact CD1-ND1 3.31Å; I188-H255 WeakPolarHBondContact CD1-ND1 3.41Å; S253-H255 PolarHBondContact O-N 2.95Å; S253-H255 WeakPolarHBondContact OG-CB 3.33Å; H255-F257 VanDerWaalsContact C-N 3.28Å; H255-F257 PolarHBondContact O-N 3.36Å; H255-L258 PolarHBondContact O-N 2.82Å; H255-L258 VanDerWaalsContact O-N 3.16Å; H255-Q259 PolarHBondContact O-N 3Å
256	E	92.8	Very high	94.5	Very high	13 Å²	13	34.5 Å²	34.5	6%	0.061	16%	0.163	C	C	.	.	H	α-helix	trans	-60.5	-38.7	178.3	-75.2	-139.5	96.9	0	0	112.3	E79 R234 P254 Q259 A260	E79-E256 WeakPolarHBondContact CA-OE1 3.44Å; R234-E256 VanDerWaalsContact CZ-CD 3.48Å; R234-E256 IonicContact CZ-OE1 3.99Å; R234-E256 IonicContact CZ-OE2 3.09Å; R234-E256 IonicContact NE-OE1 2.74Å; R234-E256 VanDerWaalsContact NH1-CD 3.33Å; R234-E256 IonicContact NH1-OE1 3.4Å; R234-E256 PolarHBondContact NH1-OE1 2.89Å; R234-E256 IonicContact NH1-OE2 3.69Å; R234-E256 PolarHBondContact NH1-OE2 3.29Å; R234-E256 IonicContact NH2-OE1 2.92Å; R234-E256 PolarHBondContact NH2-OE1 3.02Å; R234-E256 IonicContact NH2-OE2 2.65Å; P254-E256 PolarHBondContact O-N 2.91Å; E256-Q259 PolarHBondContact O-N 2.81Å; E256-A260 PolarHBondContact O-N 2.79Å; E256-A260 VanDerWaalsContact O-N 3.16Å
257	F	95.7	Very high	94.4	Very high	3 Å²	3	35.8 Å²	35.8	1%	0.013	17%	0.172	C	C	.	.	H	α-helix	trans	-65.8	-43.2	176.2	173.5	-97.3	0	0	0	111.4	L198 L231 R234 F235 L238 P254 H255 Q259 A260 V261 F280 L284	L198-F257 HydrophobicContact CD1-CD1 3.72Å; L198-F257 HydrophobicContact CD1-CE1 3.69Å; L198-F257 HydrophobicContact CD2-CD1 4.02Å; L198-F257 HydrophobicContact CD2-CE1 3.36Å; L198-F257 HydrophobicContact CD2-CZ 3.64Å; L198-F257 HydrophobicContact CG-CE1 4.08Å; L231-F257 HydrophobicContact CD1-CD2 4.44Å; L231-F257 HydrophobicContact CD1-CE2 3.68Å; L231-F257 HydrophobicContact CD1-CZ 4.11Å; R234-F257 HydrophobicContact CB-CB 4.38Å; R234-F257 HydrophobicContact CB-CD2 4.11Å; F235-F257 HydrophobicContact CB-CD2 4.14Å; F235-F257 HydrophobicContact CB-CE2 3.78Å; F235-F257 HydrophobicContact CD2-CD2 4.41Å; F235-F257 AromaticContact CD2-CE2 3.75Å; F235-F257 HydrophobicContact CD2-CE2 3.75Å; F235-F257 HydrophobicContact CD2-CZ 4.06Å; F235-F257 HydrophobicContact CG-CE2 4.25Å; L238-F257 HydrophobicContact CB-CB 4.48Å; L238-F257 HydrophobicContact CD2-CB 4.09Å; L238-F257 HydrophobicContact CD2-CD1 4.11Å; L238-F257 HydrophobicContact CD2-CG 4.05Å; P254-F257 PolarHBondContact O-N 3.26Å; P254-F257 VanDerWaalsContact O-N 3.15Å; H255-F257 VanDerWaalsContact C-N 3.28Å; H255-F257 PolarHBondContact O-N 3.36Å; F257-Q259 VanDerWaalsContact C-N 3.33Å; F257-Q259 PolarHBondContact O-N 2.86Å; F257-A260 WeakPolarHBondContact O-CB 3.43Å; F257-A260 PolarHBondContact O-N 2.79Å; F257-A260 VanDerWaalsContact O-N 3.16Å; F257-V261 HydrophobicContact CD1-CG2 3.98Å; F257-V261 HydrophobicContact CE1-CG2 3.36Å; F257-V261 HydrophobicContact CE2-CG2 4.1Å; F257-V261 HydrophobicContact CZ-CG2 3.45Å; F257-V261 VanDerWaalsContact CZ-CG2 3.45Å; F257-V261 WeakPolarHBondContact O-CG2 3.39Å; F257-V261 PolarHBondContact O-N 2.94Å; F257-F280 HydrophobicContact CE1-CZ 4.17Å; F257-L284 HydrophobicContact CE2-CD1 4.47Å; F257-L284 HydrophobicContact CZ-CD1 3.89Å; F257-L284 HydrophobicContact CZ-CD2 4.33Å
258	L	95.6	Very high	94.4	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-63.9	-36.4	177.4	-69.7	173	0	0	0	112.5	I188 N191 C194 P254 H255 A260 V261 V262 I271	I188-L258 HydrophobicContact CD1-CD1 3.81Å; N191-L258 HydrophobicContact CB-CD1 3.86Å; N191-L258 HydrophobicContact CB-CD2 4.29Å; C194-L258 HydrophobicContact CB-CD2 3.96Å; P254-L258 HydrophobicContact CB-CD1 4.39Å; P254-L258 HydrophobicContact CB-CG 4.35Å; P254-L258 HydrophobicContact CG-CD1 3.95Å; P254-L258 HydrophobicContact CG-CG 4.43Å; P254-L258 WeakPolarHBondContact O-CG 3.21Å; P254-L258 PolarHBondContact O-N 2.78Å; H255-L258 PolarHBondContact O-N 2.82Å; H255-L258 VanDerWaalsContact O-N 3.16Å; L258-A260 VanDerWaalsContact C-N 3.35Å; L258-V261 WeakPolarHBondContact O-CB 2.89Å; L258-V261 PolarHBondContact O-N 2.9Å; L258-V262 VanDerWaalsContact O-CG2 3.3Å; L258-V262 WeakPolarHBondContact O-CG2 3.46Å; L258-V262 PolarHBondContact O-N 2.97Å; L258-I271 HydrophobicContact CB-CD1 3.73Å; L258-I271 HydrophobicContact CB-CG1 3.87Å; L258-I271 HydrophobicContact CD1-CG1 4.4Å; L258-I271 HydrophobicContact CD1-CG2 4.44Å
259	Q	93.3	Very high	94.4	Very high	58 Å²	58	41.1 Å²	41.1	27%	0.271	19%	0.191	S	C	.	.	H	α-helix	trans	-60.8	-44.6	172.1	-71.7	176.9	-45.7	0	0	111.3	E79 H255 E256 F257 V261 V262 L263	E79-Q259 PolarHBondContact OE2-NE2 3.35Å; H255-Q259 PolarHBondContact O-N 3Å; E256-Q259 PolarHBondContact O-N 2.81Å; F257-Q259 VanDerWaalsContact C-N 3.33Å; F257-Q259 PolarHBondContact O-N 2.86Å; Q259-V261 VanDerWaalsContact C-N 3.32Å; Q259-V261 PolarHBondContact O-N 2.95Å; Q259-V262 PolarHBondContact O-N 2.6Å; Q259-L263 PolarHBondContact O-N 2.99Å
260	A	94.1	Very high	94.3	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.033	20%	0.202	C	C	.	.	H	α-helix	trans	-62.6	-38.4	174.7	0	0	0	0	0	112	L230 L231 R234 E256 F257 L258 L263 C264	L230-A260 HydrophobicContact CG-CB 4.34Å; L231-A260 HydrophobicContact CD1-CB 4.48Å; R234-A260 HydrophobicContact CB-CB 4.13Å; R234-A260 HydrophobicContact CG-CB 3.85Å; E256-A260 PolarHBondContact O-N 2.79Å; E256-A260 VanDerWaalsContact O-N 3.16Å; F257-A260 WeakPolarHBondContact O-CB 3.43Å; F257-A260 PolarHBondContact O-N 2.79Å; F257-A260 VanDerWaalsContact O-N 3.16Å; L258-A260 VanDerWaalsContact C-N 3.35Å; A260-L263 PolarHBondContact O-N 3.11Å; A260-C264 VanDerWaalsContact O-CB 3.27Å; A260-C264 WeakPolarHBondContact O-CB 3.42Å; A260-C264 PolarHBondContact O-N 3.2Å; A260-C264 PolarHBondContact O-SG 3.06Å
261	V	96.1	Very high	94.1	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-49.6	173.3	165.5	0	0	0	0	111.4	L231 F257 L258 Q259 L263 C264 S265 F269 F280 W283	L231-V261 HydrophobicContact CD1-CG2 3.81Å; F257-V261 HydrophobicContact CD1-CG2 3.98Å; F257-V261 HydrophobicContact CE1-CG2 3.36Å; F257-V261 HydrophobicContact CE2-CG2 4.1Å; F257-V261 HydrophobicContact CZ-CG2 3.45Å; F257-V261 VanDerWaalsContact CZ-CG2 3.45Å; F257-V261 WeakPolarHBondContact O-CG2 3.39Å; F257-V261 PolarHBondContact O-N 2.94Å; L258-V261 WeakPolarHBondContact O-CB 2.89Å; L258-V261 PolarHBondContact O-N 2.9Å; Q259-V261 VanDerWaalsContact C-N 3.32Å; Q259-V261 PolarHBondContact O-N 2.95Å; V261-L263 VanDerWaalsContact C-N 3.29Å; V261-L263 PolarHBondContact O-N 2.92Å; V261-C264 PolarHBondContact O-N 3.21Å; V261-S265 WeakPolarHBondContact O-CB 3.36Å; V261-S265 PolarHBondContact O-N 3.31Å; V261-S265 PolarHBondContact O-OG 2.89Å; V261-F269 HydrophobicContact CG1-CB 3.74Å; V261-F280 HydrophobicContact CG1-CE2 3.79Å; V261-F280 HydrophobicContact CG2-CE2 4.12Å; V261-F280 HydrophobicContact CG2-CZ 4.34Å; V261-W283 HydrophobicContact CB-CH2 4.2Å; V261-W283 HydrophobicContact CB-CZ3 4.33Å; V261-W283 HydrophobicContact CG1-CH2 3.96Å; V261-W283 HydrophobicContact CG1-CZ3 3.81Å; V261-W283 HydrophobicContact CG2-CH2 4.09Å; V261-W283 HydrophobicContact CG2-CZ3 3.98Å
262	V	94.9	Very high	93.8	Very high	36 Å²	36	45.3 Å²	45.3	22%	0.218	22%	0.217	C	C	.	.	H	α-helix	trans	-58.4	-44	179.3	172.4	0	0	0	0	110.6	L258 Q259 K266 K267 F269 I271	L258-V262 VanDerWaalsContact O-CG2 3.3Å; L258-V262 WeakPolarHBondContact O-CG2 3.46Å; L258-V262 PolarHBondContact O-N 2.97Å; Q259-V262 PolarHBondContact O-N 2.6Å; V262-K266 PolarHBondContact O-N 3.26Å; V262-K267 HydrophobicContact CG1-CG 4.19Å; V262-K267 PolarHBondContact O-N 3.29Å; V262-F269 VanDerWaalsContact CG2-O 3.26Å; V262-F269 WeakPolarHBondContact CG2-O 3.34Å; V262-I271 HydrophobicContact CG2-CD1 4.4Å; V262-I271 HydrophobicContact CG2-CG1 3.98Å
263	L	93.4	Very high	93.6	Very high	83 Å²	83	50.8 Å²	50.8	44%	0.435	24%	0.242	S	C	.	.	H	α-helix	trans	-64	-53.5	178.3	-177.6	65.8	0	0	0	111.6	Q227 L230 Q259 A260 V261 S265 K266	Q227-L263 HydrophobicContact CG-CD2 4.35Å; L230-L263 HydrophobicContact CD2-CD2 4.13Å; Q259-L263 PolarHBondContact O-N 2.99Å; A260-L263 PolarHBondContact O-N 3.11Å; V261-L263 VanDerWaalsContact C-N 3.29Å; V261-L263 PolarHBondContact O-N 2.92Å; L263-S265 PolarHBondContact O-N 3.17Å; L263-K266 PolarHBondContact O-N 3.2Å
264	C	94.1	Very high	93.3	Very high	8 Å²	8	51.6 Å²	51.6	5%	0.054	25%	0.245	C	C	.	.	H	α-helix	trans	-71.1	-31.8	-174.2	-64	0	0	0	0	113	Q227 M228 L231 A260 V261 K266 W283	Q227-C264 PolarHBondContact O-SG 3.19Å; M228-C264 HydrophobicContact CE-CB 3.64Å; M228-C264 WeakPolarHBondContact CE-O 3.45Å; M228-C264 HydrophobicContact SD-CB 4.36Å; L231-C264 HydrophobicContact CD2-CB 4.48Å; A260-C264 VanDerWaalsContact O-CB 3.27Å; A260-C264 WeakPolarHBondContact O-CB 3.42Å; A260-C264 PolarHBondContact O-N 3.2Å; A260-C264 PolarHBondContact O-SG 3.06Å; V261-C264 PolarHBondContact O-N 3.21Å; C264-K266 PolarHBondContact O-N 3.37Å; C264-W283 HydrophobicContact CB-CH2 4.34Å; C264-W283 HydrophobicContact CB-CZ2 3.96Å
265	S	94	Very high	93	Very high	10 Å²	10	52.8 Å²	52.8	7%	0.07	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	2	177.3	71.3	0	0	0	0	113.2	V261 L263 K267 R268 F269	V261-S265 WeakPolarHBondContact O-CB 3.36Å; V261-S265 PolarHBondContact O-N 3.31Å; V261-S265 PolarHBondContact O-OG 2.89Å; L263-S265 PolarHBondContact O-N 3.17Å; S265-K267 VanDerWaalsContact C-N 3.28Å; S265-K267 PolarHBondContact O-N 3.37Å; S265-R268 VanDerWaalsContact O-CB 3.27Å; S265-R268 WeakPolarHBondContact O-CB 3.2Å; S265-R268 PolarHBondContact O-N 3.24Å; S265-R268 VanDerWaalsContact O-N 3.12Å; S265-F269 PolarHBondContact OG-N 3.46Å
266	K	93.7	Very high	92.9	Very high	185 Å²	185	53.1 Å²	53.1	80%	0.804	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	45.5	-174.9	-57	179.4	-179.1	178.2	0	112.1	V262 L263 C264 R268	V262-K266 PolarHBondContact O-N 3.26Å; L263-K266 PolarHBondContact O-N 3.2Å; C264-K266 PolarHBondContact O-N 3.37Å; K266-R268 VanDerWaalsContact C-N 3.27Å; K266-R268 PolarHBondContact O-N 3.33Å
267	K	92.7	Very high	93	Very high	152 Å²	152	52.5 Å²	52.5	66%	0.661	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	16.2	-178.1	-51.1	179.6	178.6	-179.9	0	115.8	V262 S265 Q270	V262-K267 HydrophobicContact CG1-CG 4.19Å; V262-K267 PolarHBondContact O-N 3.29Å; S265-K267 VanDerWaalsContact C-N 3.28Å; S265-K267 PolarHBondContact O-N 3.37Å; K267-Q270 WeakPolarHBondContact O-CG 3.4Å
268	R	93.8	Very high	93	Very high	129 Å²	129	52.9 Å²	52.9	49%	0.487	26%	0.26	S	S	.	.	S	Bend	trans	-63.9	-41.3	171	-179.4	179.9	176.2	166.5	2.3	111.9	S265 K266 E279	S265-R268 VanDerWaalsContact O-CB 3.27Å; S265-R268 WeakPolarHBondContact O-CB 3.2Å; S265-R268 PolarHBondContact O-N 3.24Å; S265-R268 VanDerWaalsContact O-N 3.12Å; K266-R268 VanDerWaalsContact C-N 3.27Å; K266-R268 PolarHBondContact O-N 3.33Å; R268-E279 IonicContact CZ-OE2 2.75Å; R268-E279 IonicContact NE-OE2 2.83Å; R268-E279 IonicContact NH2-OE2 2.83Å; R268-E279 PolarHBondContact NH2-OE2 3.34Å
269	F	94.1	Very high	93	Very high	5 Å²	5	57 Å²	57	2%	0.022	28%	0.279	C	S	.	.	S	Bend	trans	-110.7	102.1	177.7	-57.4	-69.7	0	0	0	109.2	Y193 V261 V262 S265 E279 F280 W283	Y193-F269 HydrophobicContact CE2-CD1 4.09Å; V261-F269 HydrophobicContact CG1-CB 3.74Å; V262-F269 VanDerWaalsContact CG2-O 3.26Å; V262-F269 WeakPolarHBondContact CG2-O 3.34Å; S265-F269 PolarHBondContact OG-N 3.46Å; F269-E279 HydrophobicContact CE1-CB 4.16Å; F269-E279 HydrophobicContact CZ-CB 4.29Å; F269-F280 HydrophobicContact CB-CD2 4.35Å; F269-F280 HydrophobicContact CD1-CB 4.16Å; F269-F280 HydrophobicContact CD1-CD2 4Å; F269-F280 HydrophobicContact CD2-CD2 4.04Å; F269-F280 HydrophobicContact CE1-CB 3.9Å; F269-F280 HydrophobicContact CE1-CD2 4.34Å; F269-F280 HydrophobicContact CE2-CD2 4.4Å; F269-F280 AromaticContact CG-CD2 3.85Å; F269-F280 HydrophobicContact CG-CD2 3.85Å; F269-F280 HydrophobicContact CZ-CB 4.36Å; F269-W283 AromaticContact CD2-CD2 3.89Å; F269-W283 HydrophobicContact CD2-CD2 3.89Å; F269-W283 AromaticContact CD2-CE3 3.76Å; F269-W283 HydrophobicContact CD2-CE3 3.76Å; F269-W283 HydrophobicContact CD2-CG 4.3Å; F269-W283 HydrophobicContact CD2-CZ3 4.27Å; F269-W283 HydrophobicContact CE2-CB 3.56Å; F269-W283 AromaticContact CE2-CD2 3.51Å; F269-W283 HydrophobicContact CE2-CD2 3.51Å; F269-W283 AromaticContact CE2-CE3 3.7Å; F269-W283 HydrophobicContact CE2-CE3 3.7Å; F269-W283 AromaticContact CE2-CG 3.45Å; F269-W283 HydrophobicContact CE2-CG 3.45Å; F269-W283 VanDerWaalsContact CE2-CG 3.45Å; F269-W283 HydrophobicContact CZ-CB 3.88Å; F269-W283 HydrophobicContact CZ-CG 4.27Å
270	Q	91.3	Very high	93.2	Very high	79 Å²	79	54.3 Å²	54.3	37%	0.369	27%	0.266	S	S	.	.			trans	-92.4	160.9	-179.6	-61.1	-177.7	44.1	0	0	111.1	Y193 K267	Y193-Q270 PolarHBondContact OH-O 3.01Å; K267-Q270 WeakPolarHBondContact O-CG 3.4Å
271	I	89.8	Confident	93.4	Very high	30 Å²	30	54.2 Å²	54.2	15%	0.154	27%	0.265	C	S	.	.	S	Bend	trans	-81.4	-32	176	-57.6	177.8	0	0	0	110.8	I188 K189 A190 L258 V262	I188-I271 HydrophobicContact CB-CG2 3.86Å; I188-I271 HydrophobicContact CD1-CG2 4.22Å; I188-I271 HydrophobicContact CG2-CG2 3.92Å; K189-I271 WeakPolarHBondContact CB-O 3.47Å; A190-I271 PolarHBondContact N-O 2.46Å; L258-I271 HydrophobicContact CB-CD1 3.73Å; L258-I271 HydrophobicContact CB-CG1 3.87Å; L258-I271 HydrophobicContact CD1-CG1 4.4Å; L258-I271 HydrophobicContact CD1-CG2 4.44Å; V262-I271 HydrophobicContact CG2-CD1 4.4Å; V262-I271 HydrophobicContact CG2-CG1 3.98Å
272	T	89.7	Confident	93.4	Very high	100 Å²	100	55.7 Å²	55.7	61%	0.613	28%	0.276	S	S	*	.	S	Bend	trans	-83.1	-19.7	-173.6	45.8	0	0	0	0	113.9
273	E	90.4	Very high	93.5	Very high	117 Å²	117	55.8 Å²	55.8	55%	0.547	27%	0.272	S	S	.	.	S	Bend	trans	-123.8	134.9	-176.9	-175.4	176.9	-175.5	0	0	109.4	G275	E273-G275 PolarHBondContact O-N 3Å
274	Q	90.6	Very high	93.8	Very high	22 Å²	22	51.9 Å²	51.9	10%	0.103	25%	0.252	C	S	.	.			trans	-73.2	122.5	178.2	-161.3	-177.6	37.1	0	0	109.6	A190 D192 Y193 G481 H483	A190-Q274 HydrophobicContact CB-CB 4.09Å; A190-Q274 WeakPolarHBondContact O-CA 3.32Å; D192-Q274 WeakPolarHBondContact OD1-CG 3.38Å; D192-Q274 PolarHBondContact OD1-NE2 3.08Å; D192-Q274 PolarHBondContact OD2-NE2 3.17Å; Y193-Q274 HydrophobicContact CD1-CG 3.87Å; Q274-G481 PolarHBondContact NE2-O 3.17Å; Q274-G481 PolarHBondContact OE1-O 3.49Å; Q274-H483 PolarHBondContact NE2-ND1 3.23Å
275	G	89.8	Confident	93.9	Very high	25 Å²	25	51.8 Å²	51.8	26%	0.258	25%	0.251	S	S	.	.			trans	-91.9	177.4	172.7	0	0	0	0	0	112.4	E273	E273-G275 PolarHBondContact O-N 3Å
276	D	91.8	Very high	93.9	Very high	52 Å²	52	55 Å²	55	28%	0.278	27%	0.267	S	S	.	.			trans	-82	126.7	171.3	-172.1	-42.7	0	0	0	110.5	I278 E279 F280	D276-I278 VanDerWaalsContact C-N 3.32Å; D276-I278 PolarHBondContact O-N 3.41Å; D276-I278 WeakPolarHBondContact OD1-CG2 3.37Å; D276-I278 PolarHBondContact OD1-N 2.89Å; D276-E279 HydrophobicContact CB-CB 4.13Å; D276-E279 HydrophobicContact CB-CG 3.97Å; D276-E279 PolarHBondContact O-N 2.89Å; D276-F280 WeakPolarHBondContact O-CB 3.46Å; D276-F280 PolarHBondContact O-N 3.33Å
277	A	94.9	Very high	94	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.9	-36.6	179	0	0	0	0	0	113.6	I197 L281 L517 I518	I197-A277 HydrophobicContact CD1-CB 4.37Å; I197-A277 HydrophobicContact CG1-CB 4.3Å; A277-L281 WeakPolarHBondContact O-CB 3.19Å; A277-L281 PolarHBondContact O-N 3.25Å; A277-L517 HydrophobicContact CB-CD2 4.2Å; A277-I518 HydrophobicContact CB-CD1 4.36Å
278	I	95.3	Very high	94.1	Very high	11 Å²	11	39.6 Å²	39.6	6%	0.056	20%	0.203	C	C	.	.	H	α-helix	trans	-74.3	-36.9	179	-171.6	58.3	0	0	0	111.6	D276 F280 L281 S282 Y357 Y420 I518	D276-I278 VanDerWaalsContact C-N 3.32Å; D276-I278 PolarHBondContact O-N 3.41Å; D276-I278 WeakPolarHBondContact OD1-CG2 3.37Å; D276-I278 PolarHBondContact OD1-N 2.89Å; I278-F280 VanDerWaalsContact C-N 3.35Å; I278-L281 HydrophobicContact CD1-CD2 4Å; I278-L281 PolarHBondContact O-N 2.88Å; I278-S282 VanDerWaalsContact O-CB 3.31Å; I278-S282 WeakPolarHBondContact O-CB 3.44Å; I278-S282 PolarHBondContact O-N 3.06Å; I278-Y357 HydrophobicContact CD1-CD1 4.36Å; I278-Y357 HydrophobicContact CD1-CD2 4.01Å; I278-Y357 HydrophobicContact CD1-CE1 4.17Å; I278-Y357 HydrophobicContact CD1-CE2 3.79Å; I278-Y357 HydrophobicContact CD1-CG 4.29Å; I278-Y357 HydrophobicContact CG1-CE2 4.13Å; I278-Y420 HydrophobicContact CB-CD2 3.93Å; I278-Y420 HydrophobicContact CB-CE1 4.46Å; I278-Y420 HydrophobicContact CB-CE2 3.68Å; I278-Y420 HydrophobicContact CB-CG 4.41Å; I278-Y420 HydrophobicContact CD1-CD1 4.3Å; I278-Y420 HydrophobicContact CD1-CD2 3.94Å; I278-Y420 HydrophobicContact CD1-CG 3.8Å; I278-Y420 HydrophobicContact CG1-CD1 3.89Å; I278-Y420 HydrophobicContact CG1-CD2 3.82Å; I278-Y420 HydrophobicContact CG1-CE1 4.04Å; I278-Y420 HydrophobicContact CG1-CE2 3.95Å; I278-Y420 HydrophobicContact CG1-CG 3.79Å; I278-Y420 HydrophobicContact CG2-CD2 4.43Å; I278-Y420 HydrophobicContact CG2-CE1 4.12Å; I278-Y420 HydrophobicContact CG2-CE2 3.71Å; I278-I518 HydrophobicContact CB-CD1 4.48Å; I278-I518 HydrophobicContact CD1-CD1 4.3Å
279	E	95.2	Very high	94	Very high	91 Å²	91	34 Å²	34	43%	0.425	18%	0.182	S	C	.	.	H	α-helix	trans	-65.1	-43.1	174.7	-69.4	-161.9	178.5	0	0	111.1	R268 F269 D276 S282 W283	R268-E279 IonicContact CZ-OE2 2.75Å; R268-E279 IonicContact NE-OE2 2.83Å; R268-E279 IonicContact NH2-OE2 2.83Å; R268-E279 PolarHBondContact NH2-OE2 3.34Å; F269-E279 HydrophobicContact CE1-CB 4.16Å; F269-E279 HydrophobicContact CZ-CB 4.29Å; D276-E279 HydrophobicContact CB-CB 4.13Å; D276-E279 HydrophobicContact CB-CG 3.97Å; D276-E279 PolarHBondContact O-N 2.89Å; E279-S282 PolarHBondContact O-N 3.28Å; E279-W283 WeakPolarHBondContact O-CB 3.45Å; E279-W283 PolarHBondContact O-N 3.26Å
280	F	97.3	Very high	93.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-46.6	175.8	179.7	-110.6	0	0	0	111.8	Y193 C194 I197 F257 V261 F269 D276 I278 S282 W283 L284	Y193-F280 HydrophobicContact CD2-CB 3.91Å; Y193-F280 HydrophobicContact CD2-CG 4.21Å; Y193-F280 HydrophobicContact CE2-CB 3.85Å; Y193-F280 HydrophobicContact CE2-CD2 4.25Å; Y193-F280 AromaticContact CE2-CG 3.98Å; Y193-F280 HydrophobicContact CE2-CG 3.98Å; C194-F280 HydrophobicContact CB-CD1 4.3Å; C194-F280 HydrophobicContact CB-CE1 3.84Å; C194-F280 HydrophobicContact CB-CZ 4.06Å; C194-F280 VanDerWaalsContact SG-CZ 3.59Å; I197-F280 HydrophobicContact CB-CD1 3.83Å; I197-F280 HydrophobicContact CB-CE1 3.98Å; I197-F280 HydrophobicContact CG1-CD1 4Å; I197-F280 HydrophobicContact CG2-CD1 3.84Å; I197-F280 HydrophobicContact CG2-CE1 3.88Å; F257-F280 HydrophobicContact CE1-CZ 4.17Å; V261-F280 HydrophobicContact CG1-CE2 3.79Å; V261-F280 HydrophobicContact CG2-CE2 4.12Å; V261-F280 HydrophobicContact CG2-CZ 4.34Å; F269-F280 HydrophobicContact CB-CD2 4.35Å; F269-F280 HydrophobicContact CD1-CB 4.16Å; F269-F280 HydrophobicContact CD1-CD2 4Å; F269-F280 HydrophobicContact CD2-CD2 4.04Å; F269-F280 HydrophobicContact CE1-CB 3.9Å; F269-F280 HydrophobicContact CE1-CD2 4.34Å; F269-F280 HydrophobicContact CE2-CD2 4.4Å; F269-F280 AromaticContact CG-CD2 3.85Å; F269-F280 HydrophobicContact CG-CD2 3.85Å; F269-F280 HydrophobicContact CZ-CB 4.36Å; D276-F280 WeakPolarHBondContact O-CB 3.46Å; D276-F280 PolarHBondContact O-N 3.33Å; I278-F280 VanDerWaalsContact C-N 3.35Å; F280-S282 PolarHBondContact O-N 2.71Å; F280-W283 HydrophobicContact CD2-CE3 4.04Å; F280-W283 HydrophobicContact CD2-CZ3 4.28Å; F280-W283 AromaticContact CE2-CE3 3.98Å; F280-W283 HydrophobicContact CE2-CE3 3.98Å; F280-W283 AromaticContact CE2-CZ3 3.77Å; F280-W283 HydrophobicContact CE2-CZ3 3.77Å; F280-W283 PolarHBondContact O-N 3.32Å; F280-L284 HydrophobicContact CE1-CD2 3.91Å; F280-L284 HydrophobicContact CZ-CD2 3.89Å; F280-L284 WeakPolarHBondContact O-CB 3.35Å; F280-L284 PolarHBondContact O-N 3.29Å
281	L	97.7	Very high	93.7	Very high	2 Å²	2	37 Å²	37	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-57.4	-49.8	175.4	174.8	62.4	0	0	0	111.6	I197 M200 L201 A277 I278 W283 L284 V285 I418 I518	I197-L281 HydrophobicContact CD1-CB 3.94Å; I197-L281 HydrophobicContact CD1-CD2 4.4Å; I197-L281 HydrophobicContact CG1-CB 4.33Å; I197-L281 HydrophobicContact CG2-CB 4.22Å; I197-L281 HydrophobicContact CG2-CD1 3.91Å; M200-L281 HydrophobicContact CE-CD1 3.52Å; M200-L281 HydrophobicContact CE-CD2 3.84Å; M200-L281 HydrophobicContact CE-CG 4.31Å; L201-L281 HydrophobicContact CD1-CD1 4.41Å; L201-L281 HydrophobicContact CD2-CD1 4.17Å; L201-L281 HydrophobicContact CG-CD1 4.48Å; A277-L281 WeakPolarHBondContact O-CB 3.19Å; A277-L281 PolarHBondContact O-N 3.25Å; I278-L281 HydrophobicContact CD1-CD2 4Å; I278-L281 PolarHBondContact O-N 2.88Å; L281-W283 PolarHBondContact O-N 2.85Å; L281-L284 PolarHBondContact O-N 3.48Å; L281-V285 HydrophobicContact CD1-CG2 3.66Å; L281-V285 HydrophobicContact CG-CG2 4.43Å; L281-V285 WeakPolarHBondContact O-CB 3.5Å; L281-V285 VanDerWaalsContact O-CG2 3.31Å; L281-V285 WeakPolarHBondContact O-CG2 3.23Å; L281-V285 PolarHBondContact O-N 3.01Å; L281-I418 HydrophobicContact CD2-CD1 4.46Å; L281-I418 HydrophobicContact CD2-CG2 4.17Å; L281-I518 HydrophobicContact CD2-CD1 4.16Å; L281-I518 HydrophobicContact CD2-CG2 4.2Å
282	S	97.2	Very high	93.6	Very high	33 Å²	33	35.8 Å²	35.8	23%	0.231	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-47.6	-179.1	-174.4	0	0	0	0	111.1	I278 E279 F280 N286	I278-S282 VanDerWaalsContact O-CB 3.31Å; I278-S282 WeakPolarHBondContact O-CB 3.44Å; I278-S282 PolarHBondContact O-N 3.06Å; E279-S282 PolarHBondContact O-N 3.28Å; F280-S282 PolarHBondContact O-N 2.71Å; S282-N286 WeakPolarHBondContact O-CB 3.27Å; S282-N286 PolarHBondContact O-N 3.48Å; S282-N286 PolarHBondContact O-ND2 3.41Å
283	W	97.7	Very high	93.3	Very high	38 Å²	38	34.1 Å²	34.1	14%	0.144	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-48.4	176.6	169.4	81.1	0	0	0	112.2	L231 V261 C264 F269 E279 F280 L281 V285 N286 A287	L231-W283 HydrophobicContact CD1-CH2 4.1Å; L231-W283 HydrophobicContact CD2-CH2 3.81Å; L231-W283 HydrophobicContact CD2-CZ2 4.19Å; V261-W283 HydrophobicContact CB-CH2 4.2Å; V261-W283 HydrophobicContact CB-CZ3 4.33Å; V261-W283 HydrophobicContact CG1-CH2 3.96Å; V261-W283 HydrophobicContact CG1-CZ3 3.81Å; V261-W283 HydrophobicContact CG2-CH2 4.09Å; V261-W283 HydrophobicContact CG2-CZ3 3.98Å; C264-W283 HydrophobicContact CB-CH2 4.34Å; C264-W283 HydrophobicContact CB-CZ2 3.96Å; F269-W283 AromaticContact CD2-CD2 3.89Å; F269-W283 HydrophobicContact CD2-CD2 3.89Å; F269-W283 AromaticContact CD2-CE3 3.76Å; F269-W283 HydrophobicContact CD2-CE3 3.76Å; F269-W283 HydrophobicContact CD2-CG 4.3Å; F269-W283 HydrophobicContact CD2-CZ3 4.27Å; F269-W283 HydrophobicContact CE2-CB 3.56Å; F269-W283 AromaticContact CE2-CD2 3.51Å; F269-W283 HydrophobicContact CE2-CD2 3.51Å; F269-W283 AromaticContact CE2-CE3 3.7Å; F269-W283 HydrophobicContact CE2-CE3 3.7Å; F269-W283 AromaticContact CE2-CG 3.45Å; F269-W283 HydrophobicContact CE2-CG 3.45Å; F269-W283 VanDerWaalsContact CE2-CG 3.45Å; F269-W283 HydrophobicContact CZ-CB 3.88Å; F269-W283 HydrophobicContact CZ-CG 4.27Å; E279-W283 WeakPolarHBondContact O-CB 3.45Å; E279-W283 PolarHBondContact O-N 3.26Å; F280-W283 HydrophobicContact CD2-CE3 4.04Å; F280-W283 HydrophobicContact CD2-CZ3 4.28Å; F280-W283 AromaticContact CE2-CE3 3.98Å; F280-W283 HydrophobicContact CE2-CE3 3.98Å; F280-W283 AromaticContact CE2-CZ3 3.77Å; F280-W283 HydrophobicContact CE2-CZ3 3.77Å; F280-W283 PolarHBondContact O-N 3.32Å; L281-W283 PolarHBondContact O-N 2.85Å; W283-V285 PolarHBondContact O-N 3.42Å; W283-N286 PolarHBondContact O-N 3.15Å; W283-A287 HydrophobicContact CZ2-CB 4.43Å; W283-A287 VanDerWaalsContact O-CB 3.24Å; W283-A287 WeakPolarHBondContact O-CB 3.49Å; W283-A287 PolarHBondContact O-N 3.02Å
284	L	97.6	Very high	92.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.5	-47	-174.2	-178.9	62.3	0	0	0	111.7	I197 L198 L201 L231 F257 F280 L281 N286 A287 I288	I197-L284 HydrophobicContact CG2-CD2 4.32Å; L198-L284 HydrophobicContact CD2-CD2 4.1Å; L201-L284 HydrophobicContact CD1-CD2 3.74Å; L201-L284 HydrophobicContact CD1-CG 4.47Å; L231-L284 HydrophobicContact CD1-CD1 4.38Å; L231-L284 HydrophobicContact CD2-CD1 4.18Å; L231-L284 HydrophobicContact CG-CD1 4.48Å; F257-L284 HydrophobicContact CE2-CD1 4.47Å; F257-L284 HydrophobicContact CZ-CD1 3.89Å; F257-L284 HydrophobicContact CZ-CD2 4.33Å; F280-L284 HydrophobicContact CE1-CD2 3.91Å; F280-L284 HydrophobicContact CZ-CD2 3.89Å; F280-L284 WeakPolarHBondContact O-CB 3.35Å; F280-L284 PolarHBondContact O-N 3.29Å; L281-L284 PolarHBondContact O-N 3.48Å; L284-N286 PolarHBondContact O-N 2.97Å; L284-A287 PolarHBondContact O-N 2.85Å; L284-I288 HydrophobicContact CD1-CD1 3.72Å; L284-I288 HydrophobicContact CD1-CG1 4.12Å; L284-I288 HydrophobicContact CG-CD1 3.94Å; L284-I288 WeakPolarHBondContact O-CB 3.2Å; L284-I288 WeakPolarHBondContact O-CG1 3.37Å; L284-I288 PolarHBondContact O-N 3.18Å
285	V	96.9	Very high	90.8	Very high	6 Å²	6	32.8 Å²	32.8	4%	0.036	17%	0.171	C	C	.	.	H	α-helix	trans	-62.4	-43.9	179.1	170.8	0	0	0	0	110.7	L201 L281 W283 D289 V312 L316 F356	L201-V285 HydrophobicContact CD2-CG2 4.39Å; L281-V285 HydrophobicContact CD1-CG2 3.66Å; L281-V285 HydrophobicContact CG-CG2 4.43Å; L281-V285 WeakPolarHBondContact O-CB 3.5Å; L281-V285 VanDerWaalsContact O-CG2 3.31Å; L281-V285 WeakPolarHBondContact O-CG2 3.23Å; L281-V285 PolarHBondContact O-N 3.01Å; W283-V285 PolarHBondContact O-N 3.42Å; V285-D289 WeakPolarHBondContact O-CB 3.35Å; V285-D289 PolarHBondContact O-N 3.26Å; V285-V312 HydrophobicContact CG1-CG1 3.53Å; V285-L316 HydrophobicContact CG1-CD1 4.25Å; V285-L316 HydrophobicContact CG2-CD1 4.36Å; V285-F356 HydrophobicContact CG1-CB 4.16Å; V285-F356 HydrophobicContact CG1-CD1 3.59Å; V285-F356 HydrophobicContact CG1-CD2 3.75Å; V285-F356 HydrophobicContact CG1-CE1 3.79Å; V285-F356 HydrophobicContact CG1-CE2 3.96Å; V285-F356 HydrophobicContact CG1-CG 3.56Å; V285-F356 HydrophobicContact CG1-CZ 3.97Å
286	N	95.3	Very high	89.3	Confident	77 Å²	77	36.1 Å²	36.1	41%	0.412	18%	0.178	S	C	.	.	H	α-helix	trans	-66	-42.6	176.5	-77.8	-52.5	0	0	0	112.5	S282 W283 L284 D289 K290 F356	S282-N286 WeakPolarHBondContact O-CB 3.27Å; S282-N286 PolarHBondContact O-N 3.48Å; S282-N286 PolarHBondContact O-ND2 3.41Å; W283-N286 PolarHBondContact O-N 3.15Å; L284-N286 PolarHBondContact O-N 2.97Å; N286-D289 PolarHBondContact O-N 3.35Å; N286-K290 VanDerWaalsContact O-CB 3.28Å; N286-K290 WeakPolarHBondContact O-CB 3.41Å; N286-K290 PolarHBondContact O-N 3.21Å; N286-F356 VanDerWaalsContact OD1-CE2 3.28Å; N286-F356 WeakPolarHBondContact OD1-CE2 3.45Å
287	A	94.5	Very high	87.4	Confident	10 Å²	10	40.6 Å²	40.6	8%	0.083	20%	0.201	C	C	.	.	H	α-helix	trans	-63.3	-47	-179.9	0	0	0	0	0	111.5	M228 L231 W283 L284 K290 A291	M228-A287 HydrophobicContact SD-CB 4.47Å; L231-A287 HydrophobicContact CD2-CB 3.86Å; W283-A287 HydrophobicContact CZ2-CB 4.43Å; W283-A287 VanDerWaalsContact O-CB 3.24Å; W283-A287 WeakPolarHBondContact O-CB 3.49Å; W283-A287 PolarHBondContact O-N 3.02Å; L284-A287 PolarHBondContact O-N 2.85Å; A287-K290 PolarHBondContact O-N 3.34Å; A287-A291 WeakPolarHBondContact O-CB 3.35Å; A287-A291 PolarHBondContact O-N 2.95Å
288	I	94.3	Very high	85.2	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-65.7	-44.4	176.1	-65.9	175.2	0	0	0	110.7	F211 F235 L284 K290 A291 L292 V312	F211-I288 HydrophobicContact CZ-CG2 3.69Å; F235-I288 HydrophobicContact CD1-CD1 3.89Å; F235-I288 HydrophobicContact CD2-CD1 4.35Å; F235-I288 HydrophobicContact CE1-CD1 4.16Å; F235-I288 HydrophobicContact CG-CD1 3.99Å; L284-I288 HydrophobicContact CD1-CD1 3.72Å; L284-I288 HydrophobicContact CD1-CG1 4.12Å; L284-I288 HydrophobicContact CG-CD1 3.94Å; L284-I288 WeakPolarHBondContact O-CB 3.2Å; L284-I288 WeakPolarHBondContact O-CG1 3.37Å; L284-I288 PolarHBondContact O-N 3.18Å; I288-K290 VanDerWaalsContact C-N 3.32Å; I288-K290 PolarHBondContact O-N 3.31Å; I288-A291 PolarHBondContact O-N 2.96Å; I288-L292 HydrophobicContact CG2-CD1 3.82Å; I288-L292 HydrophobicContact CG2-CG 4.3Å; I288-L292 WeakPolarHBondContact O-CB 3.44Å; I288-L292 VanDerWaalsContact O-CG 3.32Å; I288-L292 WeakPolarHBondContact O-CG 3.25Å; I288-L292 PolarHBondContact O-N 3.35Å; I288-V312 HydrophobicContact CB-CG2 4.44Å; I288-V312 HydrophobicContact CG2-CG2 3.69Å
289	D	92.6	Very high	82.9	Confident	10 Å²	10	49.5 Å²	49.5	5%	0.053	26%	0.26	C	S	.	.	H	α-helix	trans	-58.2	-45.5	177.8	-172.3	60	0	0	0	111.4	V285 N286 L292 R293 S310 V312 S313 F356	V285-D289 WeakPolarHBondContact O-CB 3.35Å; V285-D289 PolarHBondContact O-N 3.26Å; N286-D289 PolarHBondContact O-N 3.35Å; D289-L292 PolarHBondContact O-N 2.9Å; D289-R293 VanDerWaalsContact CG-NE 3.29Å; D289-R293 WeakPolarHBondContact O-CB 3.24Å; D289-R293 WeakPolarHBondContact O-CG 3.48Å; D289-R293 PolarHBondContact O-N 2.92Å; D289-R293 IonicContact OD1-CZ 3.22Å; D289-R293 IonicContact OD1-NE 3.87Å; D289-R293 PolarHBondContact OD1-NE 2.93Å; D289-R293 IonicContact OD1-NH2 3.76Å; D289-R293 WeakPolarHBondContact OD2-CD 3.45Å; D289-R293 IonicContact OD2-CZ 3.22Å; D289-R293 IonicContact OD2-NE 3.24Å; D289-R293 PolarHBondContact OD2-NE 3.16Å; D289-R293 IonicContact OD2-NH2 2.69Å; D289-S310 WeakPolarHBondContact OD1-CB 3.35Å; D289-S310 PolarHBondContact OD1-OG 2.85Å; D289-V312 HydrophobicContact CB-CB 4.13Å; D289-V312 HydrophobicContact CB-CG1 4.1Å; D289-S313 WeakPolarHBondContact OD1-CB 3.4Å; D289-S313 PolarHBondContact OD1-N 3.3Å; D289-S313 PolarHBondContact OD1-OG 2.64Å; D289-S313 PolarHBondContact OD2-OG 3.16Å; D289-S313 VanDerWaalsContact OD2-OG 3.12Å; D289-F356 HydrophobicContact CB-CZ 4.2Å
290	K	89.7	Confident	80.7	Confident	147 Å²	147	50.3 Å²	50.3	64%	0.639	27%	0.273	S	S	*	.	H	α-helix	trans	-62.1	-49.8	177.1	-174.9	174.3	-178.8	173.1	0	111.4	N286 A287 I288 L292 R293 T294	N286-K290 VanDerWaalsContact O-CB 3.28Å; N286-K290 WeakPolarHBondContact O-CB 3.41Å; N286-K290 PolarHBondContact O-N 3.21Å; A287-K290 PolarHBondContact O-N 3.34Å; I288-K290 VanDerWaalsContact C-N 3.32Å; I288-K290 PolarHBondContact O-N 3.31Å; K290-L292 VanDerWaalsContact C-N 3.27Å; K290-L292 PolarHBondContact O-N 3.37Å; K290-R293 PolarHBondContact O-N 3.44Å; K290-T294 HydrophobicContact CG-CG2 4.44Å; K290-T294 WeakPolarHBondContact O-CG2 3.34Å; K290-T294 PolarHBondContact O-N 2.71Å; K290-T294 PolarHBondContact O-OG1 3.06Å
291	A	89.6	Confident	78.1	Confident	2 Å²	2	60.9 Å²	60.9	2%	0.017	32%	0.319	C	S	.	.	H	α-helix	trans	-58.7	-37.6	-179.8	0	0	0	0	0	112.9	M228 V232 A287 I288	M228-A291 HydrophobicContact CB-CB 3.98Å; V232-A291 HydrophobicContact CG2-CB 3.65Å; A287-A291 WeakPolarHBondContact O-CB 3.35Å; A287-A291 PolarHBondContact O-N 2.95Å; I288-A291 PolarHBondContact O-N 2.96Å
292	L	88.4	Confident	75.9	Confident	3 Å²	3	64.9 Å²	64.9	2%	0.016	36%	0.36	C	S	.	.	H	α-helix	trans	-81.6	-22.5	180	-66.1	179.1	0	0	0	113.8	Y210 F211 F217 L220 V232 I288 D289 K290 I311 V312	Y210-L292 HydrophobicContact CE1-CD1 3.93Å; Y210-L292 HydrophobicContact CE1-CD2 4.13Å; F211-L292 HydrophobicContact CZ-CD1 4.2Å; F217-L292 HydrophobicContact CB-CD2 4.39Å; L220-L292 HydrophobicContact CD1-CD2 3.99Å; V232-L292 HydrophobicContact CG1-CD2 3.96Å; V232-L292 HydrophobicContact CG2-CD2 4.48Å; I288-L292 HydrophobicContact CG2-CD1 3.82Å; I288-L292 HydrophobicContact CG2-CG 4.3Å; I288-L292 WeakPolarHBondContact O-CB 3.44Å; I288-L292 VanDerWaalsContact O-CG 3.32Å; I288-L292 WeakPolarHBondContact O-CG 3.25Å; I288-L292 PolarHBondContact O-N 3.35Å; D289-L292 PolarHBondContact O-N 2.9Å; K290-L292 VanDerWaalsContact C-N 3.27Å; K290-L292 PolarHBondContact O-N 3.37Å; L292-I311 HydrophobicContact CD1-CG2 3.87Å; L292-V312 HydrophobicContact CD1-CG2 4.36Å
293	R	82.8	Confident	73.8	Confident	66 Å²	66	66 Å²	66	25%	0.249	37%	0.372	C	S	.	.	H	α-helix	trans	-80.6	-40.9	178.9	-79.1	171.7	177.7	-88.7	9.2	113.1	D289 K290 K295 Y308 S313 R317	D289-R293 VanDerWaalsContact CG-NE 3.29Å; D289-R293 WeakPolarHBondContact O-CB 3.24Å; D289-R293 WeakPolarHBondContact O-CG 3.48Å; D289-R293 PolarHBondContact O-N 2.92Å; D289-R293 IonicContact OD1-CZ 3.22Å; D289-R293 IonicContact OD1-NE 3.87Å; D289-R293 PolarHBondContact OD1-NE 2.93Å; D289-R293 IonicContact OD1-NH2 3.76Å; D289-R293 WeakPolarHBondContact OD2-CD 3.45Å; D289-R293 IonicContact OD2-CZ 3.22Å; D289-R293 IonicContact OD2-NE 3.24Å; D289-R293 PolarHBondContact OD2-NE 3.16Å; D289-R293 IonicContact OD2-NH2 2.69Å; K290-R293 PolarHBondContact O-N 3.44Å; R293-K295 PolarHBondContact O-N 2.88Å; R293-K295 VanDerWaalsContact O-N 3.1Å; R293-Y308 PolarHBondContact NH1-O 3.33Å; R293-S313 PolarHBondContact NH2-OG 3.38Å; R293-R317 VanDerWaalsContact NH2-NH1 3.11Å
294	T	67.2	Low	71.5	Confident	97 Å²	97	70.7 Å²	70.7	60%	0.595	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-7.2	-169.6	48.8	0	0	0	0	114.5	K290	K290-T294 HydrophobicContact CG-CG2 4.44Å; K290-T294 WeakPolarHBondContact O-CG2 3.34Å; K290-T294 PolarHBondContact O-N 2.71Å; K290-T294 PolarHBondContact O-OG1 3.06Å
295	K	61.4	Low	68.9	Low	13 Å²	13	77.9 Å²	77.9	6%	0.057	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123	7.6	-161.6	-70.3	-178.4	167.5	-167.8	0	116.2	L220 P221 D226 R293	L220-K295 HydrophobicContact CB-CB 4.24Å; L220-K295 HydrophobicContact CD2-CB 4.22Å; P221-K295 WeakPolarHBondContact CD-O 3.28Å; P221-K295 HydrophobicContact CG-CB 4.1Å; P221-K295 WeakPolarHBondContact CG-O 3.44Å; P221-K295 WeakPolarHBondContact O-CD 3.45Å; P221-K295 WeakPolarHBondContact O-CE 3.5Å; P221-K295 PolarHBondContact O-NZ 2.88Å; D226-K295 WeakPolarHBondContact OD2-CE 3.24Å; D226-K295 IonicContact OD2-NZ 2.87Å; D226-K295 PolarHBondContact OD2-NZ 2.88Å; R293-K295 PolarHBondContact O-N 2.88Å; R293-K295 VanDerWaalsContact O-N 3.1Å
296	K	57.1	Low	66.6	Low	95 Å²	95	86.9 Å²	86.9	41%	0.413	48%	0.481	S	S	.	.	S	Bend	trans	-87.2	141.4	174.2	-70.5	-149.6	177	-169.6	0	112.3	L220 Y308	L220-K296 HydrophobicContact CD2-CG 3.94Å; K296-Y308 HydrophobicContact CD-CD1 4.11Å; K296-Y308 HydrophobicContact CD-CD2 4.15Å; K296-Y308 HydrophobicContact CD-CE1 3.65Å; K296-Y308 HydrophobicContact CD-CE2 3.69Å; K296-Y308 HydrophobicContact CD-CG 4.37Å; K296-Y308 VanDerWaalsContact CD-CZ 3.45Å; K296-Y308 VanDerWaalsContact CE-CZ 3.46Å; K296-Y308 VanDerWaalsContact CE-OH 3.28Å; K296-Y308 WeakPolarHBondContact CE-OH 3.32Å; K296-Y308 HydrophobicContact CG-CD1 4.41Å; K296-Y308 HydrophobicContact CG-CE1 4.25Å; K296-Y308 PolarHBondContact NZ-OH 2.88Å
297	I	52	Low	64.8	Low	147 Å²	147	88.5 Å²	88.5	75%	0.754	49%	0.494	S	S	*	.			trans	-40.3	135.8	-173.7	-59.3	162.5	0	0	0	111.4	C299	I297-C299 PolarHBondContact O-N 2.88Å
298	P	49.2	Very low	63.4	Low	119 Å²	119	92.9 Å²	92.9	77%	0.773	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-50.9	125.2	174.2	-21.7	29.9	0	0	0	110
299	C	47.2	Very low	62.6	Low	78 Å²	78	97.5 Å²	97.5	53%	0.527	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-57.6	145.4	169.5	-48	0	0	0	0	108.6	I297 K301 A303	I297-C299 PolarHBondContact O-N 2.88Å; C299-K301 PolarHBondContact O-N 3.39Å; C299-A303 HydrophobicContact CB-CB 4.42Å
300	P	48.6	Very low	62.5	Low	108 Å²	108	97 Å²	97	70%	0.701	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-51.3	134.1	170.9	-22.1	31.2	0	0	0	109.9	G302 A303	P300-G302 PolarHBondContact O-N 2.81Å; P300-A303 PolarHBondContact O-N 3.32Å
301	K	42.6	Very low	62.7	Low	223 Å²	223	91.7 Å²	91.7	97%	0.97	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	115.3	176.9	-66.2	-178.2	178.6	-179.9	0	108.8	C299	C299-K301 PolarHBondContact O-N 3.39Å
302	G	52.9	Low	62.9	Low	85 Å²	85	91.8 Å²	91.8	88%	0.876	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	121.1	-10.5	-179.8	0	0	0	0	0	115.8	P300	P300-G302 PolarHBondContact O-N 2.81Å
303	A	52.9	Low	63.2	Low	56 Å²	56	91.9 Å²	91.9	46%	0.463	51%	0.507	S	S	.	.	S	Bend	trans	-84.8	123.4	169.2	0	0	0	0	0	110.2	C299 P300 N305	C299-A303 HydrophobicContact CB-CB 4.42Å; P300-A303 PolarHBondContact O-N 3.32Å; A303-N305 PolarHBondContact O-N 2.98Å
304	V	48.2	Very low	63.7	Low	137 Å²	137	91 Å²	91	83%	0.83	51%	0.51	S	S	*	.			trans	-43.1	129.5	171.3	179.3	0	0	0	0	109.4	K306	V304-K306 PolarHBondContact O-N 2.79Å
305	N	44	Very low	65.1	Low	152 Å²	152	86.5 Å²	86.5	81%	0.813	48%	0.483	S	S	*	.			trans	-53	78.6	-179.8	-89.7	-18.5	0	0	0	111.8	A303 T307	A303-N305 PolarHBondContact O-N 2.98Å; N305-T307 VanDerWaalsContact C-N 3.34Å; N305-T307 PolarHBondContact O-N 3.43Å
306	K	49.1	Very low	66.8	Low	194 Å²	194	85.9 Å²	85.9	84%	0.843	48%	0.48	S	S	*	.			trans	-78	93.1	176.9	-150.9	171.4	-169	171.1	0	105.6	V304 Y308	V304-K306 PolarHBondContact O-N 2.79Å; K306-Y308 PolarHBondContact O-N 3.2Å
307	T	57.3	Low	68.6	Low	112 Å²	112	84.9 Å²	84.9	69%	0.687	47%	0.474	S	S	*	.			trans	-44.4	108.5	178.8	45.4	0	0	0	0	109.9	N305 K309	N305-T307 VanDerWaalsContact C-N 3.34Å; N305-T307 PolarHBondContact O-N 3.43Å; T307-K309 PolarHBondContact O-N 3.3Å
308	Y	63.4	Low	70.6	Confident	101 Å²	101	77.9 Å²	77.9	40%	0.396	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-63.6	125.3	-177.6	-179.4	-94.7	0	0	0	108.9	R293 K296 K306	R293-Y308 PolarHBondContact NH1-O 3.33Å; K296-Y308 HydrophobicContact CD-CD1 4.11Å; K296-Y308 HydrophobicContact CD-CD2 4.15Å; K296-Y308 HydrophobicContact CD-CE1 3.65Å; K296-Y308 HydrophobicContact CD-CE2 3.69Å; K296-Y308 HydrophobicContact CD-CG 4.37Å; K296-Y308 VanDerWaalsContact CD-CZ 3.45Å; K296-Y308 VanDerWaalsContact CE-CZ 3.46Å; K296-Y308 VanDerWaalsContact CE-OH 3.28Å; K296-Y308 WeakPolarHBondContact CE-OH 3.32Å; K296-Y308 HydrophobicContact CG-CD1 4.41Å; K296-Y308 HydrophobicContact CG-CE1 4.25Å; K296-Y308 PolarHBondContact NZ-OH 2.88Å; K306-Y308 PolarHBondContact O-N 3.2Å
309	K	78.5	Confident	72.9	Confident	102 Å²	102	77.3 Å²	77.3	44%	0.443	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-88	118.7	175.7	-65	-179.1	-176.7	176.3	0	107.9	T307	T307-K309 PolarHBondContact O-N 3.3Å
310	S	90.4	Very high	75.1	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.007	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-60.7	166.3	168.4	83	0	0	0	0	110.4	D289 V312 S313 S314	D289-S310 WeakPolarHBondContact OD1-CB 3.35Å; D289-S310 PolarHBondContact OD1-OG 2.85Å; S310-V312 PolarHBondContact O-N 2.83Å; S310-V312 WeakPolarHBondContact OG-CB 3.46Å; S310-V312 PolarHBondContact OG-N 3.26Å; S310-V312 VanDerWaalsContact OG-N 3.08Å; S310-S313 PolarHBondContact O-N 3.3Å; S310-S313 PolarHBondContact OG-N 3.25Å; S310-S314 PolarHBondContact O-N 3.3Å; S310-S314 PolarHBondContact O-OG 2.86Å
311	I	93.5	Very high	77.4	Confident	34 Å²	34	72.8 Å²	72.8	17%	0.174	38%	0.382	C	S	.	.	H	α-helix	trans	-58.6	-35.1	170.9	-171.9	64.5	0	0	0	112.2	P206 L207 Y210 L292 S314 T315	P206-I311 HydrophobicContact CB-CD1 4.28Å; L207-I311 HydrophobicContact CD2-CG1 4.04Å; L207-I311 HydrophobicContact CD2-CG2 4.14Å; Y210-I311 HydrophobicContact CD1-CB 4.43Å; Y210-I311 HydrophobicContact CD1-CG2 3.64Å; Y210-I311 HydrophobicContact CD2-CB 3.94Å; Y210-I311 HydrophobicContact CD2-CG1 4.17Å; Y210-I311 HydrophobicContact CD2-CG2 4.04Å; Y210-I311 HydrophobicContact CE1-CG2 3.94Å; Y210-I311 HydrophobicContact CE2-CB 4.35Å; Y210-I311 HydrophobicContact CE2-CG2 4.33Å; Y210-I311 HydrophobicContact CG-CB 3.99Å; Y210-I311 HydrophobicContact CG-CG1 4.03Å; Y210-I311 HydrophobicContact CG-CG2 3.69Å; L292-I311 HydrophobicContact CD1-CG2 3.87Å; I311-S314 WeakPolarHBondContact CA-OG 3.41Å; I311-S314 PolarHBondContact O-N 2.81Å; I311-S314 PolarHBondContact O-OG 3.11Å; I311-T315 WeakPolarHBondContact O-CB 3.35Å; I311-T315 PolarHBondContact O-N 2.86Å; I311-T315 PolarHBondContact O-OG1 3.05Å
312	V	94.9	Very high	79.9	Confident	5 Å²	5	63.2 Å²	63.2	3%	0.03	34%	0.341	C	S	.	.	H	α-helix	trans	-63.4	-49.2	178.1	-177.6	0	0	0	0	109.7	L207 V285 I288 D289 L292 S310 T315 L316 F356	L207-V312 HydrophobicContact CD2-CG2 4.1Å; V285-V312 HydrophobicContact CG1-CG1 3.53Å; I288-V312 HydrophobicContact CB-CG2 4.44Å; I288-V312 HydrophobicContact CG2-CG2 3.69Å; D289-V312 HydrophobicContact CB-CB 4.13Å; D289-V312 HydrophobicContact CB-CG1 4.1Å; L292-V312 HydrophobicContact CD1-CG2 4.36Å; S310-V312 PolarHBondContact O-N 2.83Å; S310-V312 WeakPolarHBondContact OG-CB 3.46Å; S310-V312 PolarHBondContact OG-N 3.26Å; S310-V312 VanDerWaalsContact OG-N 3.08Å; V312-T315 PolarHBondContact O-N 2.83Å; V312-L316 HydrophobicContact CG1-CD1 4.26Å; V312-L316 WeakPolarHBondContact O-CB 3.35Å; V312-L316 PolarHBondContact O-N 3.1Å; V312-F356 HydrophobicContact CG1-CE1 3.91Å; V312-F356 HydrophobicContact CG1-CZ 4.35Å
313	S	93.8	Very high	81.9	Confident	5 Å²	5	60.9 Å²	60.9	4%	0.035	31%	0.306	C	S	.	.	H	α-helix	trans	-73.7	-27.8	179.7	-78.3	0	0	0	0	114.6	D289 R293 S310 T315 R317	D289-S313 WeakPolarHBondContact OD1-CB 3.4Å; D289-S313 PolarHBondContact OD1-N 3.3Å; D289-S313 PolarHBondContact OD1-OG 2.64Å; D289-S313 PolarHBondContact OD2-OG 3.16Å; D289-S313 VanDerWaalsContact OD2-OG 3.12Å; R293-S313 PolarHBondContact NH2-OG 3.38Å; S310-S313 PolarHBondContact O-N 3.3Å; S310-S313 PolarHBondContact OG-N 3.25Å; S313-T315 VanDerWaalsContact C-N 3.32Å; S313-R317 WeakPolarHBondContact O-CB 3.44Å
314	S	93.5	Very high	83.8	Confident	46 Å²	46	59 Å²	59	32%	0.322	29%	0.29	S	S	.	.	H	α-helix	trans	-73.2	-29.1	173.3	66.6	0	0	0	0	112.2	S310 I311	S310-S314 PolarHBondContact O-N 3.3Å; S310-S314 PolarHBondContact O-OG 2.86Å; I311-S314 WeakPolarHBondContact CA-OG 3.41Å; I311-S314 PolarHBondContact O-N 2.81Å; I311-S314 PolarHBondContact O-OG 3.11Å
315	T	96.5	Very high	85.9	Confident	4 Å²	4	57.3 Å²	57.3	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-92	-42.3	-174.1	-53.9	0	0	0	0	113.2	I204 P206 L207 I311 V312 S313 P415 Y416	I204-T315 HydrophobicContact CG2-CG2 3.66Å; P206-T315 HydrophobicContact CB-CG2 4Å; P206-T315 HydrophobicContact CG-CG2 4.01Å; L207-T315 HydrophobicContact CG-CG2 4.28Å; I311-T315 WeakPolarHBondContact O-CB 3.35Å; I311-T315 PolarHBondContact O-N 2.86Å; I311-T315 PolarHBondContact O-OG1 3.05Å; V312-T315 PolarHBondContact O-N 2.83Å; S313-T315 VanDerWaalsContact C-N 3.32Å; T315-P415 WeakPolarHBondContact O-CD 3.5Å; T315-Y416 HydrophobicContact CG2-CD2 3.65Å; T315-Y416 HydrophobicContact CG2-CE2 4.35Å; T315-Y416 HydrophobicContact CG2-CG 4.2Å; T315-Y416 PolarHBondContact O-N 2.87Å; T315-Y416 VanDerWaalsContact O-N 3.1Å
316	L	97.1	Very high	88.1	Confident	0 Å²	0	52 Å²	52	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-111.3	-19.6	-169	-59	-178.3	0	0	0	114.8	I204 L207 V285 V312 G318 F356 P414 I418	I204-L316 HydrophobicContact CD1-CD2 3.86Å; L207-L316 HydrophobicContact CD1-CD1 3.96Å; L207-L316 HydrophobicContact CD1-CG 4.29Å; V285-L316 HydrophobicContact CG1-CD1 4.25Å; V285-L316 HydrophobicContact CG2-CD1 4.36Å; V312-L316 HydrophobicContact CG1-CD1 4.26Å; V312-L316 WeakPolarHBondContact O-CB 3.35Å; V312-L316 PolarHBondContact O-N 3.1Å; L316-G318 PolarHBondContact O-N 2.89Å; L316-F356 HydrophobicContact CB-CD1 3.82Å; L316-F356 HydrophobicContact CB-CE1 4.41Å; L316-P414 VanDerWaalsContact C-CB 3.47Å; L316-P414 WeakPolarHBondContact O-CB 3.15Å; L316-I418 HydrophobicContact CD1-CD1 4.14Å; L316-I418 HydrophobicContact CD2-CD1 4.14Å; L316-I418 HydrophobicContact CD2-CG1 4.36Å
317	R	95	Very high	89.9	Confident	74 Å²	74	45.3 Å²	45.3	28%	0.279	21%	0.211	S	C	.	.			trans	-81.5	114	-170.3	-165.7	171	172.3	152.5	0.6	111.8	R293 S313 N354 F355 F356	R293-R317 VanDerWaalsContact NH2-NH1 3.11Å; S313-R317 WeakPolarHBondContact O-CB 3.44Å; R317-N354 HydrophobicContact CG-CB 4.04Å; R317-N354 VanDerWaalsContact NE-CG 3.3Å; R317-N354 PolarHBondContact NE-OD1 3.01Å; R317-N354 PolarHBondContact NH2-ND2 3.2Å; R317-F355 WeakPolarHBondContact CA-O 3.37Å; R317-F356 HydrophobicContact CB-CD1 4.38Å; R317-F356 HydrophobicContact CB-CE1 4.08Å
318	G	95	Very high	91.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	175	167.8	0	0	0	0	0	112.6	L316 N354 F355 R412	L316-G318 PolarHBondContact O-N 2.89Å; G318-N354 WeakPolarHBondContact O-CA 3.43Å; G318-F355 PolarHBondContact N-O 3.39Å; G318-F355 PolarHBondContact O-N 3.47Å; G318-R412 WeakPolarHBondContact CA-O 3.13Å
319	K	95.6	Very high	92.2	Very high	106 Å²	106	40.2 Å²	40.2	46%	0.461	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138	171.4	-62.8	-168.5	170.4	-166.3	0	110.7	I353 N354 R411 R412	K319-I353 WeakPolarHBondContact CA-O 3.45Å; K319-N354 WeakPolarHBondContact CG-OD1 3.31Å; K319-R411 HydrophobicContact CB-CB 4.43Å; K319-R411 PolarHBondContact O-N 3.17Å; K319-R412 HydrophobicContact CB-CB 3.95Å; K319-R412 HydrophobicContact CG-CB 4.3Å; K319-R412 PolarHBondContact N-O 2.76Å; K319-R412 PolarHBondContact O-N 3.14Å
320	M	95.2	Very high	92.3	Very high	25 Å²	25	41.5 Å²	41.5	12%	0.123	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	152.7	172.7	66.7	-173.6	164.4	0	0	110.4	I353 F355 L358 F408 E409 L410	M320-I353 HydrophobicContact CE-CB 4.23Å; M320-I353 HydrophobicContact CE-CG2 3.96Å; M320-I353 HydrophobicContact CG-CB 4.23Å; M320-I353 PolarHBondContact N-O 2.87Å; M320-I353 PolarHBondContact O-N 2.73Å; M320-I353 VanDerWaalsContact O-O 3.09Å; M320-F355 HydrophobicContact CB-CD1 4.13Å; M320-F355 HydrophobicContact CB-CE1 3.98Å; M320-F355 HydrophobicContact CE-CB 4.16Å; M320-F355 HydrophobicContact CE-CD1 4.18Å; M320-F355 HydrophobicContact CG-CD1 3.89Å; M320-F355 HydrophobicContact CG-CE1 4.26Å; M320-F355 HydrophobicContact SD-CD1 3.96Å; M320-F355 HydrophobicContact SD-CE1 4.45Å; M320-L358 HydrophobicContact SD-CD2 4.38Å; M320-F408 HydrophobicContact SD-CD1 3.97Å; M320-E409 CarbonylContact C-O 3.4Å; M320-E409 VanDerWaalsContact CA-O 3.24Å; M320-E409 WeakPolarHBondContact CA-O 3.48Å; M320-E409 WeakPolarHBondContact CB-O 3.36Å; M320-L410 HydrophobicContact CB-CD2 3.98Å
321	R	95.9	Very high	92	Very high	66 Å²	66	49.1 Å²	49.1	25%	0.249	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.7	169.4	-177.8	164.1	-72.3	-177.5	-4.5	108.7	Y323 V350 D352 F408 E409 R411	R321-Y323 HydrophobicContact CB-CE2 4.44Å; R321-Y323 VanDerWaalsContact CD-OH 3.3Å; R321-Y323 WeakPolarHBondContact CD-OH 3.19Å; R321-Y323 HydrophobicContact CG-CD2 4.5Å; R321-Y323 HydrophobicContact CG-CE1 4.45Å; R321-Y323 HydrophobicContact CG-CE2 3.91Å; R321-V350 VanDerWaalsContact CD-CG1 3.48Å; R321-V350 HydrophobicContact CG-CG1 3.63Å; R321-D352 WeakPolarHBondContact CB-OD1 3.35Å; R321-D352 WeakPolarHBondContact CG-OD1 3.45Å; R321-D352 IonicContact CZ-OD1 3.39Å; R321-D352 IonicContact CZ-OD2 2.59Å; R321-D352 IonicContact NE-OD1 3.18Å; R321-D352 PolarHBondContact NE-OD1 3.12Å; R321-D352 IonicContact NE-OD2 3.94Å; R321-D352 IonicContact NH2-OD1 3.81Å; R321-D352 PolarHBondContact NH2-OD1 2.73Å; R321-D352 IonicContact NH2-OD2 3.54Å; R321-D352 PolarHBondContact NH2-OD2 2.99Å; R321-F408 WeakPolarHBondContact O-CA 3.37Å; R321-E409 HydrophobicContact CB-CB 4.47Å; R321-E409 PolarHBondContact N-O 2.92Å; R321-E409 PolarHBondContact O-N 3.14Å; R321-R411 HydrophobicContact CB-CG 4.11Å
322	M	95	Very high	91.5	Very high	22 Å²	22	49.9 Å²	49.9	11%	0.108	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.1	175.8	-176.3	177.6	76.3	0	0	108.9	S351 I353 R407 F408	M322-S351 PolarHBondContact N-O 2.68Å; M322-S351 PolarHBondContact O-N 3.4Å; M322-I353 HydrophobicContact CB-CD1 3.65Å; M322-I353 HydrophobicContact CB-CG1 4.42Å; M322-I353 HydrophobicContact CE-CD1 3.7Å; M322-I353 HydrophobicContact CG-CD1 4.31Å; M322-I353 HydrophobicContact SD-CD1 3.73Å; M322-R407 WeakPolarHBondContact CA-O 3.15Å; M322-F408 HydrophobicContact CB-CD1 4.14Å; M322-F408 HydrophobicContact CB-CE1 4.17Å; M322-F408 HydrophobicContact CG-CD1 3.97Å; M322-F408 HydrophobicContact CG-CE1 3.6Å; M322-F408 HydrophobicContact CG-CZ 4.24Å; M322-F408 HydrophobicContact SD-CD1 4.4Å; M322-F408 HydrophobicContact SD-CE1 3.51Å; M322-F408 VanDerWaalsContact SD-CE1 3.51Å; M322-F408 HydrophobicContact SD-CZ 4.01Å
323	Y	95.3	Very high	91.1	Very high	37 Å²	37	53.1 Å²	53.1	15%	0.145	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.4	167.8	-53.4	-95.4	0	0	0	107.1	R321 T348 T349 V350 R406 R407 E409 R411	R321-Y323 HydrophobicContact CB-CE2 4.44Å; R321-Y323 VanDerWaalsContact CD-OH 3.3Å; R321-Y323 WeakPolarHBondContact CD-OH 3.19Å; R321-Y323 HydrophobicContact CG-CD2 4.5Å; R321-Y323 HydrophobicContact CG-CE1 4.45Å; R321-Y323 HydrophobicContact CG-CE2 3.91Å; Y323-T348 HydrophobicContact CD1-CG2 4.23Å; Y323-T349 CarbonylContact C-O 3.53Å; Y323-T349 WeakPolarHBondContact CA-O 3.46Å; Y323-V350 HydrophobicContact CD1-CG1 4.41Å; Y323-V350 HydrophobicContact CD1-CG2 3.71Å; Y323-V350 HydrophobicContact CE1-CG1 4.19Å; Y323-V350 HydrophobicContact CE1-CG2 3.93Å; Y323-R406 CarbonylContact O-C 3.58Å; Y323-R406 VanDerWaalsContact O-CA 3.23Å; Y323-R406 WeakPolarHBondContact O-CA 3.32Å; Y323-R407 HydrophobicContact CD2-CB 4.32Å; Y323-R407 HydrophobicContact CD2-CG 4.47Å; Y323-R407 PolarHBondContact N-O 3.25Å; Y323-R407 PolarHBondContact O-N 2.88Å; Y323-E409 HydrophobicContact CE2-CB 4.09Å; Y323-E409 WeakPolarHBondContact CE2-OE2 3.43Å; Y323-E409 PolarHBondContact OH-OE2 3.07Å; Y323-R411 PolarHBondContact OH-NH2 2.94Å
324	S	92.9	Very high	90.7	Very high	17 Å²	17	58.8 Å²	58.8	12%	0.119	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	125.9	-179.3	-176.4	0	0	0	0	110.2	T349	S324-T349 PolarHBondContact N-O 2.77Å; S324-T349 PolarHBondContact O-N 3.05Å; S324-T349 PolarHBondContact O-OG1 2.95Å
325	R	91.9	Very high	90.3	Very high	100 Å²	100	64.4 Å²	64.4	38%	0.377	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.6	179.7	176	170.9	62.1	161.6	-2.9	109.9	Y346 E394 T404 L405	R325-Y346 WeakPolarHBondContact CG-O 3.44Å; R325-E394 IonicContact NH2-OE1 3.96Å; R325-E394 IonicContact NH2-OE2 3.83Å; R325-E394 PolarHBondContact NH2-OE2 3.46Å; R325-T404 CarbonylContact O-C 3.48Å; R325-T404 VanDerWaalsContact O-CA 3.32Å; R325-T404 WeakPolarHBondContact O-CA 3.4Å; R325-L405 PolarHBondContact N-O 2.91Å; R325-L405 PolarHBondContact O-N 2.66Å
326	K	90.3	Very high	89.7	Confident	41 Å²	41	68.5 Å²	68.5	18%	0.178	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	136.7	173.5	-171.4	169.4	170.7	168.4	0	110.1	E345 Y346 D402	K326-E345 HydrophobicContact CD-CG 3.97Å; K326-E345 WeakPolarHBondContact CE-OE1 3.44Å; K326-E345 IonicContact NZ-OE1 2.86Å; K326-E345 PolarHBondContact NZ-OE1 3.42Å; K326-Y346 HydrophobicContact CB-CD1 4.02Å; K326-Y346 HydrophobicContact CB-CE1 4.37Å; K326-Y346 HydrophobicContact CD-CE1 4.19Å; K326-Y346 HydrophobicContact CG-CD1 4.19Å; K326-Y346 HydrophobicContact CG-CE1 4.03Å; K326-D402 HydrophobicContact CD-CB 4.47Å; K326-D402 WeakPolarHBondContact CE-OD1 3.28Å; K326-D402 WeakPolarHBondContact CE-OD2 3.3Å; K326-D402 IonicContact NZ-OD1 2.92Å; K326-D402 PolarHBondContact NZ-OD1 3.11Å; K326-D402 IonicContact NZ-OD2 2.98Å; K326-D402 PolarHBondContact NZ-OD2 3.46Å
327	I	87.6	Confident	89.1	Confident	54 Å²	54	71.5 Å²	71.5	28%	0.277	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-80.4	131	175	-55.4	-174.6	0	0	0	108.2	E396 S403 L405	I327-E396 HydrophobicContact CD1-CG 3.91Å; I327-S403 PolarHBondContact N-O 2.88Å; I327-L405 HydrophobicContact CD1-CD1 4.03Å; I327-L405 HydrophobicContact CD1-CD2 3.97Å; I327-L405 HydrophobicContact CD1-CG 3.6Å; I327-L405 HydrophobicContact CG1-CD1 3.93Å; I327-L405 HydrophobicContact CG1-CG 3.66Å
328	M	85.5	Confident	88.5	Confident	44 Å²	44	71.2 Å²	71.2	22%	0.217	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-67.6	141	173.8	-67.8	173.5	-178.9	0	0	110.9	V330 K337 L340 A341 Y346	M328-V330 PolarHBondContact O-N 3.41Å; M328-K337 WeakPolarHBondContact CE-O 3.41Å; M328-K337 HydrophobicContact SD-CB 3.79Å; M328-K337 HydrophobicContact SD-CG 3.93Å; M328-L340 HydrophobicContact CE-CB 4.27Å; M328-A341 VanDerWaalsContact CE-CA 3.41Å; M328-A341 HydrophobicContact CE-CB 4.05Å; M328-Y346 HydrophobicContact CB-CD1 4.46Å; M328-Y346 HydrophobicContact CB-CE1 4.24Å; M328-Y346 HydrophobicContact CE-CD1 4.45Å; M328-Y346 HydrophobicContact CE-CD2 4Å; M328-Y346 HydrophobicContact CE-CG 3.81Å; M328-Y346 HydrophobicContact CG-CD1 3.51Å; M328-Y346 HydrophobicContact CG-CD2 4.18Å; M328-Y346 HydrophobicContact CG-CE1 3.67Å; M328-Y346 HydrophobicContact CG-CE2 4.32Å; M328-Y346 HydrophobicContact CG-CG 3.8Å
329	P	83.2	Confident	88	Confident	62 Å²	62	75.3 Å²	75.3	40%	0.403	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-53.5	135.1	173.8	-25.4	33.4	0	0	0	112.2	N331 M332	P329-N331 PolarHBondContact O-N 2.74Å; P329-M332 HydrophobicContact CB-CG 4.46Å; P329-M332 HydrophobicContact CB-SD 4.5Å; P329-M332 HydrophobicContact CG-CE 4.47Å; P329-M332 HydrophobicContact CG-SD 4.25Å; P329-M332 PolarHBondContact O-N 2.96Å
330	V	81.3	Confident	87.5	Confident	129 Å²	129	72.7 Å²	72.7	78%	0.782	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-25.7	-179.3	-175.7	0	0	0	0	112.1	M328 M332	M328-V330 PolarHBondContact O-N 3.41Å; V330-M332 VanDerWaalsContact C-N 3.28Å; V330-M332 PolarHBondContact O-N 3.43Å
331	N	83.5	Confident	86.7	Confident	161 Å²	161	73.7 Å²	73.7	86%	0.861	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-6.5	-176.2	-60	-11.2	0	0	0	114.4	P329	P329-N331 PolarHBondContact O-N 2.74Å
332	M	82.6	Confident	86	Confident	49 Å²	49	77.3 Å²	77.3	24%	0.241	42%	0.421	C	S	.	.	S	Bend	trans	-75.6	142.1	176.9	-78.1	174.5	160.9	0	0	111.2	P329 V330 E336 K337 L340	P329-M332 HydrophobicContact CB-CG 4.46Å; P329-M332 HydrophobicContact CB-SD 4.5Å; P329-M332 HydrophobicContact CG-CE 4.47Å; P329-M332 HydrophobicContact CG-SD 4.25Å; P329-M332 PolarHBondContact O-N 2.96Å; V330-M332 VanDerWaalsContact C-N 3.28Å; V330-M332 PolarHBondContact O-N 3.43Å; M332-E336 WeakPolarHBondContact CA-OE2 3.38Å; M332-E336 HydrophobicContact CB-CB 4.14Å; M332-E336 HydrophobicContact CG-CB 4.38Å; M332-K337 HydrophobicContact CB-CG 3.98Å; M332-K337 WeakPolarHBondContact O-CE 3.38Å; M332-K337 PolarHBondContact O-NZ 3.19Å; M332-L340 HydrophobicContact CE-CD1 3.35Å; M332-L340 HydrophobicContact SD-CD1 3.66Å
333	T	86.8	Confident	85.5	Confident	73 Å²	73	77.4 Å²	77.4	45%	0.448	43%	0.425	S	S	.	.			trans	-63.7	156.5	169.3	60.3	0	0	0	0	110.4	E335 E336 K337	T333-E335 PolarHBondContact O-N 3.24Å; T333-E336 PolarHBondContact N-OE2 2.93Å; T333-E336 PolarHBondContact O-N 2.83Å; T333-E336 VanDerWaalsContact O-N 3.16Å; T333-E336 WeakPolarHBondContact OG1-CB 3.42Å; T333-E336 VanDerWaalsContact OG1-CD 3.23Å; T333-E336 WeakPolarHBondContact OG1-CG 3.15Å; T333-E336 PolarHBondContact OG1-N 3.25Å; T333-E336 PolarHBondContact OG1-OE2 3.45Å; T333-K337 WeakPolarHBondContact O-CG 3.37Å; T333-K337 PolarHBondContact O-N 3.34Å
334	D	85.4	Confident	85	Confident	125 Å²	125	81 Å²	81	67%	0.668	45%	0.453	S	S	*	.	H	α-helix	trans	-66.1	-26.5	-179.2	-65.5	-27.4	0	0	0	112.3	K337 A338	D334-K337 IonicContact OD1-NZ 3.06Å; D334-K337 PolarHBondContact OD1-NZ 3.08Å; D334-A338 WeakPolarHBondContact O-CB 3.12Å; D334-A338 PolarHBondContact O-N 2.77Å
335	E	84.3	Confident	84.7	Confident	164 Å²	164	85.3 Å²	85.3	77%	0.766	47%	0.471	S	S	*	.	H	α-helix	trans	-65.5	-46	171.2	-67.3	168.6	-172.6	0	0	111.6	T333 A338 S339	T333-E335 PolarHBondContact O-N 3.24Å; E335-A338 PolarHBondContact O-N 3.38Å; E335-S339 WeakPolarHBondContact O-CB 3.49Å; E335-S339 PolarHBondContact O-N 2.74Å; E335-S339 PolarHBondContact O-OG 2.91Å
336	E	84	Confident	84.3	Confident	90 Å²	90	81.5 Å²	81.5	42%	0.421	46%	0.456	S	S	.	.	H	α-helix	trans	-62.7	-44.6	174.8	-73.6	165.9	150.4	0	0	111.2	M332 T333 A338 S339 L340	M332-E336 WeakPolarHBondContact CA-OE2 3.38Å; M332-E336 HydrophobicContact CB-CB 4.14Å; M332-E336 HydrophobicContact CG-CB 4.38Å; T333-E336 PolarHBondContact N-OE2 2.93Å; T333-E336 PolarHBondContact O-N 2.83Å; T333-E336 VanDerWaalsContact O-N 3.16Å; T333-E336 WeakPolarHBondContact OG1-CB 3.42Å; T333-E336 VanDerWaalsContact OG1-CD 3.23Å; T333-E336 WeakPolarHBondContact OG1-CG 3.15Å; T333-E336 PolarHBondContact OG1-N 3.25Å; T333-E336 PolarHBondContact OG1-OE2 3.45Å; E336-A338 VanDerWaalsContact C-N 3.34Å; E336-A338 PolarHBondContact O-N 2.73Å; E336-S339 WeakPolarHBondContact CA-OG 3.43Å; E336-S339 PolarHBondContact O-N 3.37Å; E336-S339 PolarHBondContact O-OG 2.88Å; E336-L340 WeakPolarHBondContact O-CB 3.5Å; E336-L340 WeakPolarHBondContact O-CG 3.35Å; E336-L340 PolarHBondContact O-N 3.47Å
337	K	84.4	Confident	84.1	Confident	63 Å²	63	84.6 Å²	84.6	27%	0.274	47%	0.473	S	S	.	.	H	α-helix	trans	-59.7	-43.6	176.3	-69.7	176.6	-164.5	145.5	0	111.8	M328 M332 T333 D334 L340 A341	M328-K337 WeakPolarHBondContact CE-O 3.41Å; M328-K337 HydrophobicContact SD-CB 3.79Å; M328-K337 HydrophobicContact SD-CG 3.93Å; M332-K337 HydrophobicContact CB-CG 3.98Å; M332-K337 WeakPolarHBondContact O-CE 3.38Å; M332-K337 PolarHBondContact O-NZ 3.19Å; T333-K337 WeakPolarHBondContact O-CG 3.37Å; T333-K337 PolarHBondContact O-N 3.34Å; D334-K337 IonicContact OD1-NZ 3.06Å; D334-K337 PolarHBondContact OD1-NZ 3.08Å; K337-L340 PolarHBondContact O-N 3.2Å; K337-A341 WeakPolarHBondContact O-CB 3.48Å; K337-A341 PolarHBondContact O-N 3.26Å
338	A	83.6	Confident	84.2	Confident	67 Å²	67	85.4 Å²	85.4	55%	0.554	48%	0.48	S	S	*	.	H	α-helix	trans	-64.1	-43	177	0	0	0	0	0	111.5	D334 E335 E336 L340 A341	D334-A338 WeakPolarHBondContact O-CB 3.12Å; D334-A338 PolarHBondContact O-N 2.77Å; E335-A338 PolarHBondContact O-N 3.38Å; E336-A338 VanDerWaalsContact C-N 3.34Å; E336-A338 PolarHBondContact O-N 2.73Å; A338-L340 VanDerWaalsContact C-N 3.29Å; A338-L340 PolarHBondContact O-N 3.18Å; A338-A341 PolarHBondContact O-N 3.03Å
339	S	83.7	Confident	84.5	Confident	87 Å²	87	87.2 Å²	87.2	61%	0.608	49%	0.494	S	S	*	.	H	α-helix	trans	-65.5	-30.5	178.3	74.8	0	0	0	0	113.6	E335 E336	E335-S339 WeakPolarHBondContact O-CB 3.49Å; E335-S339 PolarHBondContact O-N 2.74Å; E335-S339 PolarHBondContact O-OG 2.91Å; E336-S339 WeakPolarHBondContact CA-OG 3.43Å; E336-S339 PolarHBondContact O-N 3.37Å; E336-S339 PolarHBondContact O-OG 2.88Å
340	L	84.4	Confident	85.1	Confident	51 Å²	51	88.1 Å²	88.1	27%	0.267	50%	0.498	S	S	.	.	H	α-helix	trans	-93.8	-9.1	-178.6	-69	171	0	0	0	113.3	M328 M332 E336 K337 A338 D342 S343 Y346	M328-L340 HydrophobicContact CE-CB 4.27Å; M332-L340 HydrophobicContact CE-CD1 3.35Å; M332-L340 HydrophobicContact SD-CD1 3.66Å; E336-L340 WeakPolarHBondContact O-CB 3.5Å; E336-L340 WeakPolarHBondContact O-CG 3.35Å; E336-L340 PolarHBondContact O-N 3.47Å; K337-L340 PolarHBondContact O-N 3.2Å; A338-L340 VanDerWaalsContact C-N 3.29Å; A338-L340 PolarHBondContact O-N 3.18Å; L340-D342 VanDerWaalsContact C-N 3.27Å; L340-D342 PolarHBondContact O-N 2.64Å; L340-S343 VanDerWaalsContact O-CB 3.3Å; L340-S343 WeakPolarHBondContact O-CB 3.45Å; L340-S343 PolarHBondContact O-N 3.03Å; L340-S343 PolarHBondContact O-OG 3.12Å; L340-Y346 HydrophobicContact CB-CD2 3.88Å; L340-Y346 HydrophobicContact CB-CE2 3.94Å; L340-Y346 HydrophobicContact CD1-CE2 4.16Å; L340-Y346 HydrophobicContact CG-CE2 4.45Å; L340-Y346 WeakPolarHBondContact O-CD2 3.47Å
341	A	78.9	Confident	85.7	Confident	46 Å²	46	84.1 Å²	84.1	38%	0.38	48%	0.476	S	S	.	.	H	α-helix	trans	-59.4	-37.4	-178.7	0	0	0	0	0	113.1	M328 K337 A338 S343	M328-A341 VanDerWaalsContact CE-CA 3.41Å; M328-A341 HydrophobicContact CE-CB 4.05Å; K337-A341 WeakPolarHBondContact O-CB 3.48Å; K337-A341 PolarHBondContact O-N 3.26Å; A338-A341 PolarHBondContact O-N 3.03Å; A341-S343 VanDerWaalsContact C-N 3.33Å
342	D	81.5	Confident	86.2	Confident	141 Å²	141	81.4 Å²	81.4	75%	0.754	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-0.2	178.7	-63.1	-30.9	0	0	0	112.9	L340	L340-D342 VanDerWaalsContact C-N 3.27Å; L340-D342 PolarHBondContact O-N 2.64Å
343	S	84.4	Confident	86.8	Confident	25 Å²	25	81.6 Å²	81.6	18%	0.175	46%	0.463	C	S	.	.	S	Bend	trans	-70.7	141.2	176.1	75.9	0	0	0	0	110.3	L340 A341 E345 Y346 M347	L340-S343 VanDerWaalsContact O-CB 3.3Å; L340-S343 WeakPolarHBondContact O-CB 3.45Å; L340-S343 PolarHBondContact O-N 3.03Å; L340-S343 PolarHBondContact O-OG 3.12Å; A341-S343 VanDerWaalsContact C-N 3.33Å; S343-E345 PolarHBondContact O-N 3.24Å; S343-Y346 PolarHBondContact O-N 3.2Å; S343-Y346 VanDerWaalsContact OG-CD2 3.28Å; S343-Y346 WeakPolarHBondContact OG-CD2 3.11Å; S343-M347 WeakPolarHBondContact O-CG 3.45Å; S343-M347 PolarHBondContact O-N 3.35Å; S343-M347 VanDerWaalsContact O-N 3.16Å
344	P	85.7	Confident	87.2	Confident	113 Å²	113	81.4 Å²	81.4	73%	0.734	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.3	-177.7	24.6	-34.9	0	0	0	113.2
345	E	84.9	Confident	87.7	Confident	107 Å²	107	76 Å²	76	50%	0.5	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-37.8	176.8	-179	172.2	-175.6	0	0	113	K326 S343	K326-E345 HydrophobicContact CD-CG 3.97Å; K326-E345 WeakPolarHBondContact CE-OE1 3.44Å; K326-E345 IonicContact NZ-OE1 2.86Å; K326-E345 PolarHBondContact NZ-OE1 3.42Å; S343-E345 PolarHBondContact O-N 3.24Å
346	Y	84.5	Confident	88.3	Confident	20 Å²	20	69.4 Å²	69.4	8%	0.078	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-2.3	-178.6	-60.9	-69.4	0	0	0	113.3	R325 K326 M328 L340 S343	R325-Y346 WeakPolarHBondContact CG-O 3.44Å; K326-Y346 HydrophobicContact CB-CD1 4.02Å; K326-Y346 HydrophobicContact CB-CE1 4.37Å; K326-Y346 HydrophobicContact CD-CE1 4.19Å; K326-Y346 HydrophobicContact CG-CD1 4.19Å; K326-Y346 HydrophobicContact CG-CE1 4.03Å; M328-Y346 HydrophobicContact CB-CD1 4.46Å; M328-Y346 HydrophobicContact CB-CE1 4.24Å; M328-Y346 HydrophobicContact CE-CD1 4.45Å; M328-Y346 HydrophobicContact CE-CD2 4Å; M328-Y346 HydrophobicContact CE-CG 3.81Å; M328-Y346 HydrophobicContact CG-CD1 3.51Å; M328-Y346 HydrophobicContact CG-CD2 4.18Å; M328-Y346 HydrophobicContact CG-CE1 3.67Å; M328-Y346 HydrophobicContact CG-CE2 4.32Å; M328-Y346 HydrophobicContact CG-CG 3.8Å; L340-Y346 HydrophobicContact CB-CD2 3.88Å; L340-Y346 HydrophobicContact CB-CE2 3.94Å; L340-Y346 HydrophobicContact CD1-CE2 4.16Å; L340-Y346 HydrophobicContact CG-CE2 4.45Å; L340-Y346 WeakPolarHBondContact O-CD2 3.47Å; S343-Y346 PolarHBondContact O-N 3.2Å; S343-Y346 VanDerWaalsContact OG-CD2 3.28Å; S343-Y346 WeakPolarHBondContact OG-CD2 3.11Å
347	M	86.7	Confident	88.9	Confident	106 Å²	106	68 Å²	68	52%	0.522	39%	0.39	S	S	.	.	S	Bend	trans	-66.9	152.7	171.3	-76.5	-176.2	74.4	0	0	112.1	S343 T349	S343-M347 WeakPolarHBondContact O-CG 3.45Å; S343-M347 PolarHBondContact O-N 3.35Å; S343-M347 VanDerWaalsContact O-N 3.16Å; M347-T349 PolarHBondContact O-N 3.44Å
348	T	89	Confident	89.5	Confident	71 Å²	71	65 Å²	65	44%	0.436	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-76.7	117.6	176.7	-59.4	0	0	0	0	109.9	Y323	Y323-T348 HydrophobicContact CD1-CG2 4.23Å
349	T	92.4	Very high	90.1	Very high	81 Å²	81	63.8 Å²	63.8	50%	0.497	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	140.7	171.3	56.6	0	0	0	0	110.2	Y323 S324 M347	Y323-T349 CarbonylContact C-O 3.53Å; Y323-T349 WeakPolarHBondContact CA-O 3.46Å; S324-T349 PolarHBondContact N-O 2.77Å; S324-T349 PolarHBondContact O-N 3.05Å; S324-T349 PolarHBondContact O-OG1 2.95Å; M347-T349 PolarHBondContact O-N 3.44Å
350	V	94.4	Very high	90.7	Very high	81 Å²	81	59.6 Å²	59.6	49%	0.491	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.3	179.9	-175.1	0	0	0	0	108.7	R321 Y323	R321-V350 VanDerWaalsContact CD-CG1 3.48Å; R321-V350 HydrophobicContact CG-CG1 3.63Å; Y323-V350 HydrophobicContact CD1-CG1 4.41Å; Y323-V350 HydrophobicContact CD1-CG2 3.71Å; Y323-V350 HydrophobicContact CE1-CG1 4.19Å; Y323-V350 HydrophobicContact CE1-CG2 3.93Å
351	S	94.4	Very high	91.1	Very high	45 Å²	45	59.1 Å²	59.1	32%	0.315	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138.5	177.5	55.9	0	0	0	0	110.9	M322	M322-S351 PolarHBondContact N-O 2.68Å; M322-S351 PolarHBondContact O-N 3.4Å
352	D	94.1	Very high	91.9	Very high	105 Å²	105	57.8 Å²	57.8	56%	0.561	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	117	175.7	-77.6	-21.4	0	0	0	109.8	R321	R321-D352 WeakPolarHBondContact CB-OD1 3.35Å; R321-D352 WeakPolarHBondContact CG-OD1 3.45Å; R321-D352 IonicContact CZ-OD1 3.39Å; R321-D352 IonicContact CZ-OD2 2.59Å; R321-D352 IonicContact NE-OD1 3.18Å; R321-D352 PolarHBondContact NE-OD1 3.12Å; R321-D352 IonicContact NE-OD2 3.94Å; R321-D352 IonicContact NH2-OD1 3.81Å; R321-D352 PolarHBondContact NH2-OD1 2.73Å; R321-D352 IonicContact NH2-OD2 3.54Å; R321-D352 PolarHBondContact NH2-OD2 2.99Å
353	I	95	Very high	92.3	Very high	53 Å²	53	53.8 Å²	53.8	27%	0.272	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	142.2	-173	-54.6	175.5	0	0	0	109.6	K319 M320 M322	K319-I353 WeakPolarHBondContact CA-O 3.45Å; M320-I353 HydrophobicContact CE-CB 4.23Å; M320-I353 HydrophobicContact CE-CG2 3.96Å; M320-I353 HydrophobicContact CG-CB 4.23Å; M320-I353 PolarHBondContact N-O 2.87Å; M320-I353 PolarHBondContact O-N 2.73Å; M320-I353 VanDerWaalsContact O-O 3.09Å; M322-I353 HydrophobicContact CB-CD1 3.65Å; M322-I353 HydrophobicContact CB-CG1 4.42Å; M322-I353 HydrophobicContact CE-CD1 3.7Å; M322-I353 HydrophobicContact CG-CD1 4.31Å; M322-I353 HydrophobicContact SD-CD1 3.73Å
354	N	94.9	Very high	92.5	Very high	69 Å²	69	57.9 Å²	57.9	37%	0.369	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	143.5	168.7	-57.6	-84.5	0	0	0	109.9	R317 G318 K319	R317-N354 HydrophobicContact CG-CB 4.04Å; R317-N354 VanDerWaalsContact NE-CG 3.3Å; R317-N354 PolarHBondContact NE-OD1 3.01Å; R317-N354 PolarHBondContact NH2-ND2 3.2Å; G318-N354 WeakPolarHBondContact O-CA 3.43Å; K319-N354 WeakPolarHBondContact CG-OD1 3.31Å
355	F	95.8	Very high	92.4	Very high	12 Å²	12	55.1 Å²	55.1	5%	0.053	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	149.2	178.7	63.5	-95	0	0	0	111.2	R317 G318 M320 L358 L410 L417	R317-F355 WeakPolarHBondContact CA-O 3.37Å; G318-F355 PolarHBondContact N-O 3.39Å; G318-F355 PolarHBondContact O-N 3.47Å; M320-F355 HydrophobicContact CB-CD1 4.13Å; M320-F355 HydrophobicContact CB-CE1 3.98Å; M320-F355 HydrophobicContact CE-CB 4.16Å; M320-F355 HydrophobicContact CE-CD1 4.18Å; M320-F355 HydrophobicContact CG-CD1 3.89Å; M320-F355 HydrophobicContact CG-CE1 4.26Å; M320-F355 HydrophobicContact SD-CD1 3.96Å; M320-F355 HydrophobicContact SD-CE1 4.45Å; F355-L358 HydrophobicContact CD1-CD2 4.03Å; F355-L358 HydrophobicContact CD2-CD2 3.68Å; F355-L358 HydrophobicContact CD2-CG 4.04Å; F355-L358 HydrophobicContact CE1-CD2 3.91Å; F355-L358 HydrophobicContact CE2-CD1 4.35Å; F355-L358 HydrophobicContact CE2-CD2 3.58Å; F355-L358 HydrophobicContact CE2-CG 3.72Å; F355-L358 HydrophobicContact CG-CD2 3.91Å; F355-L358 HydrophobicContact CZ-CD1 4.44Å; F355-L358 HydrophobicContact CZ-CD2 3.69Å; F355-L358 HydrophobicContact CZ-CG 4.14Å; F355-L410 HydrophobicContact CE1-CD2 3.82Å; F355-L410 HydrophobicContact CZ-CD2 3.93Å; F355-L417 HydrophobicContact CE2-CD1 3.89Å
356	F	96.8	Very high	92.2	Very high	25 Å²	25	54.3 Å²	54.3	11%	0.11	31%	0.311	C	S	.	.	S	Bend	trans	-95.1	-25.7	166.8	-74.3	-62.5	0	0	0	112.4	V285 N286 D289 V312 L316 R317	V285-F356 HydrophobicContact CG1-CB 4.16Å; V285-F356 HydrophobicContact CG1-CD1 3.59Å; V285-F356 HydrophobicContact CG1-CD2 3.75Å; V285-F356 HydrophobicContact CG1-CE1 3.79Å; V285-F356 HydrophobicContact CG1-CE2 3.96Å; V285-F356 HydrophobicContact CG1-CG 3.56Å; V285-F356 HydrophobicContact CG1-CZ 3.97Å; N286-F356 VanDerWaalsContact OD1-CE2 3.28Å; N286-F356 WeakPolarHBondContact OD1-CE2 3.45Å; D289-F356 HydrophobicContact CB-CZ 4.2Å; V312-F356 HydrophobicContact CG1-CE1 3.91Å; V312-F356 HydrophobicContact CG1-CZ 4.35Å; L316-F356 HydrophobicContact CB-CD1 3.82Å; L316-F356 HydrophobicContact CB-CE1 4.41Å; R317-F356 HydrophobicContact CB-CD1 4.38Å; R317-F356 HydrophobicContact CB-CE1 4.08Å
357	Y	97.5	Very high	91.8	Very high	59 Å²	59	61.2 Å²	61.2	23%	0.231	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	153.3	177.7	59	-89.5	0	0	0	110.6	I278 I418	I278-Y357 HydrophobicContact CD1-CD1 4.36Å; I278-Y357 HydrophobicContact CD1-CD2 4.01Å; I278-Y357 HydrophobicContact CD1-CE1 4.17Å; I278-Y357 HydrophobicContact CD1-CE2 3.79Å; I278-Y357 HydrophobicContact CD1-CG 4.29Å; I278-Y357 HydrophobicContact CG1-CE2 4.13Å; Y357-I418 CarbonylContact C-O 3.48Å; Y357-I418 VanDerWaalsContact CA-O 3.23Å; Y357-I418 WeakPolarHBondContact CA-O 3.3Å
358	L	96.9	Very high	91.2	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.01	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	128	173.5	-65.4	179.6	0	0	0	109.7	M320 F355 F389 L410 L417 I418 L419 Y420	M320-L358 HydrophobicContact SD-CD2 4.38Å; F355-L358 HydrophobicContact CD1-CD2 4.03Å; F355-L358 HydrophobicContact CD2-CD2 3.68Å; F355-L358 HydrophobicContact CD2-CG 4.04Å; F355-L358 HydrophobicContact CE1-CD2 3.91Å; F355-L358 HydrophobicContact CE2-CD1 4.35Å; F355-L358 HydrophobicContact CE2-CD2 3.58Å; F355-L358 HydrophobicContact CE2-CG 3.72Å; F355-L358 HydrophobicContact CG-CD2 3.91Å; F355-L358 HydrophobicContact CZ-CD1 4.44Å; F355-L358 HydrophobicContact CZ-CD2 3.69Å; F355-L358 HydrophobicContact CZ-CG 4.14Å; L358-F389 HydrophobicContact CB-CE1 4.34Å; L358-F389 HydrophobicContact CB-CE2 3.95Å; L358-F389 HydrophobicContact CB-CZ 3.73Å; L358-F389 HydrophobicContact CD1-CD2 4.16Å; L358-F389 HydrophobicContact CD1-CE2 4.2Å; L358-F389 HydrophobicContact CD1-CG 4.43Å; L358-F389 HydrophobicContact CD1-CZ 4.5Å; L358-F389 HydrophobicContact CD2-CD1 4.19Å; L358-F389 HydrophobicContact CD2-CE1 3.93Å; L358-F389 HydrophobicContact CD2-CZ 4.19Å; L358-F389 HydrophobicContact CG-CZ 4.36Å; L358-L410 HydrophobicContact CD1-CD1 4.16Å; L358-L410 HydrophobicContact CD1-CD2 4.18Å; L358-L410 HydrophobicContact CD2-CD2 4.03Å; L358-L417 HydrophobicContact CD1-CD1 3.91Å; L358-L417 HydrophobicContact CD1-CD2 4.47Å; L358-L417 HydrophobicContact CG-CD1 4.11Å; L358-I418 PolarHBondContact N-O 3.36Å; L358-L419 HydrophobicContact CB-CD2 3.88Å; L358-L419 HydrophobicContact CD1-CD2 4.11Å; L358-L419 HydrophobicContact CG-CD2 4.43Å; L358-Y420 PolarHBondContact O-N 2.89Å
359	T	96.8	Very high	90.2	Very high	40 Å²	40	68.2 Å²	68.2	25%	0.245	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	109.6	176.4	-59	0	0	0	0	110.4	K388 F389 Y420 K422	T359-K388 PolarHBondContact O-NZ 3.23Å; T359-F389 WeakPolarHBondContact O-CZ 3.23Å; T359-Y420 CarbonylContact C-O 3.54Å; T359-Y420 WeakPolarHBondContact CA-O 3.24Å; T359-Y420 HydrophobicContact CG2-CD1 3.8Å; T359-Y420 HydrophobicContact CG2-CE1 4.17Å; T359-K422 HydrophobicContact CG2-CB 4.06Å; T359-K422 HydrophobicContact CG2-CD 4.47Å
360	C	96	Very high	88.9	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	119.7	174.7	-64.3	0	0	0	0	109.5	L385 Y420 K422	C360-L385 HydrophobicContact CB-CB 4.15Å; C360-L385 HydrophobicContact CB-CD1 4.3Å; C360-Y420 PolarHBondContact N-O 3.07Å; C360-K422 PolarHBondContact O-N 2.88Å
361	D	93.5	Very high	87.5	Confident	41 Å²	41	73.6 Å²	73.6	22%	0.219	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	118.5	178.9	-58.5	-80.2	0	0	0	109.7	L385 K388 K395	D361-L385 VanDerWaalsContact O-CD2 3.29Å; D361-L385 WeakPolarHBondContact O-CD2 3.46Å; D361-K388 WeakPolarHBondContact OD2-CD 3.19Å; D361-K388 WeakPolarHBondContact OD2-CE 3.13Å; D361-K388 IonicContact OD2-NZ 2.88Å; D361-K388 PolarHBondContact OD2-NZ 3.37Å; D361-K395 IonicContact OD1-NZ 2.72Å; D361-K395 PolarHBondContact OD1-NZ 3.05Å; D361-K395 WeakPolarHBondContact OD2-CE 3.45Å; D361-K395 IonicContact OD2-NZ 3.46Å; D361-K395 PolarHBondContact OD2-NZ 2.75Å
362	L	93.8	Very high	86.2	Confident	18 Å²	18	78.3 Å²	78.3	9%	0.094	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-73	141.7	175.1	-66.4	169.4	0	0	0	110	V380 L385 M421 R423 N434 V438	L362-V380 HydrophobicContact CD2-CG1 4Å; L362-L385 HydrophobicContact CD2-CD1 3.82Å; L362-L385 HydrophobicContact CD2-CD2 4.19Å; L362-M421 HydrophobicContact CD1-CB 4.47Å; L362-R423 HydrophobicContact CD1-CG 3.57Å; L362-N434 WeakPolarHBondContact CB-ND2 3.32Å; L362-N434 HydrophobicContact CD1-CB 4.19Å; L362-V438 HydrophobicContact CD2-CG2 3.58Å
363	P	91.7	Very high	84.6	Confident	56 Å²	56	81 Å²	81	36%	0.364	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-60.3	146.1	170	27.7	-33.9	0	0	0	109.6	V380 N434	P363-V380 HydrophobicContact CG-CB 4.23Å; P363-V380 HydrophobicContact CG-CG2 4.14Å; P363-N434 PolarHBondContact O-ND2 3.22Å
364	P	87.2	Confident	82.9	Confident	111 Å²	111	86.2 Å²	86.2	72%	0.721	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-58.5	142	175.4	26	-33.4	0	0	0	109.8
365	P	84.5	Confident	81.2	Confident	55 Å²	55	88.1 Å²	88.1	36%	0.357	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-60.1	140.5	175.8	26.8	-33.4	0	0	0	109.2	L367 P378	P365-L367 PolarHBondContact O-N 2.86Å; P365-P378 HydrophobicContact CB-CG 4.36Å
366	P	81.1	Confident	80.1	Confident	91 Å²	91	93.8 Å²	93.8	59%	0.591	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-59.6	131.2	178.3	25.6	-33	0	0	0	109.6	Y368 P378	P366-Y368 PolarHBondContact O-N 3.45Å; P366-P378 HydrophobicContact CG-CB 4.44Å
367	L	76.4	Confident	79.3	Confident	164 Å²	164	96.8 Å²	96.8	86%	0.859	49%	0.489	S	S	*	.	S	Bend	trans	-66	-24.1	-178.7	-68.3	174.6	0	0	0	112.7	P365	P365-L367 PolarHBondContact O-N 2.86Å
368	Y	72.6	Confident	78.9	Confident	196 Å²	196	95.3 Å²	95.3	77%	0.769	49%	0.487	S	S	*	.	S	Bend	trans	-117.5	137.1	178.7	-59.1	-75.6	0	0	0	109.6	P366	P366-Y368 PolarHBondContact O-N 3.45Å
369	L	67.6	Low	78.6	Confident	129 Å²	129	100.6 Å²	100.6	68%	0.675	51%	0.512	S	S	*	.			trans	-68.6	139.2	169.5	-66.6	161.4	0	0	0	108.4
370	D	66.3	Low	78.5	Confident	95 Å²	95	99.4 Å²	99.4	51%	0.508	51%	0.505	S	S	.	.			trans	-57.4	143	172.9	-166	-3.7	0	0	0	110.3	F372 K373	D370-F372 PolarHBondContact O-N 3.06Å; D370-K373 PolarHBondContact O-N 3.3Å
371	E	65.6	Low	78.5	Confident	180 Å²	180	101.7 Å²	101.7	84%	0.841	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.4	-174.6	-70	-173.5	165	0	0	112
372	F	65.5	Low	78.5	Confident	143 Å²	143	99.9 Å²	99.9	63%	0.627	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-11.1	-177.4	-60	-76.2	0	0	0	114.2	D370 E374	D370-F372 PolarHBondContact O-N 3.06Å; F372-E374 HydrophobicContact CB-CG 4.14Å; F372-E374 WeakPolarHBondContact O-CG 3.44Å; F372-E374 PolarHBondContact O-N 2.83Å
373	K	61.6	Low	78.5	Confident	161 Å²	161	102.5 Å²	102.5	70%	0.7	54%	0.535	S	S	*	.			trans	51.3	6.5	-174.4	-68.9	-175	178.8	177.7	0	115.9	D370 N375	D370-K373 PolarHBondContact O-N 3.3Å; K373-N375 VanDerWaalsContact C-N 3.32Å; K373-N375 PolarHBondContact O-N 3.41Å
374	E	58.9	Low	78.7	Confident	164 Å²	164	103.8 Å²	103.8	77%	0.766	54%	0.542	S	S	*	.	S	Bend	trans	-71.7	-29.6	-173.8	-65.9	-171.7	167.9	0	0	111.9	F372	F372-E374 HydrophobicContact CB-CG 4.14Å; F372-E374 WeakPolarHBondContact O-CG 3.44Å; F372-E374 PolarHBondContact O-N 2.83Å
375	N	59.6	Low	79	Confident	109 Å²	109	99 Å²	99	58%	0.583	51%	0.51	S	S	*	.			trans	-117.5	80.3	177.7	-69.2	-40.4	0	0	0	111.2	K373 I377	K373-N375 VanDerWaalsContact C-N 3.32Å; K373-N375 PolarHBondContact O-N 3.41Å; N375-I377 PolarHBondContact O-N 3.26Å
376	I	71.4	Confident	79.5	Confident	130 Å²	130	96.8 Å²	96.8	67%	0.667	50%	0.495	S	S	*	.	S	Bend	trans	-61.2	-28.6	175.3	-59.4	174	0	0	0	111
377	I	80.8	Confident	80.1	Confident	88 Å²	88	94.4 Å²	94.4	45%	0.451	48%	0.481	S	S	.	.	S	Bend	trans	-110.9	121.5	-174.4	-52.3	175.5	0	0	0	109.5	N375 I437	N375-I377 PolarHBondContact O-N 3.26Å; I377-I437 HydrophobicContact CG2-CD1 4.48Å; I377-I437 HydrophobicContact CG2-CG1 3.66Å
378	P	89	Confident	80.9	Confident	28 Å²	28	87.6 Å²	87.6	18%	0.182	44%	0.444	C	S	.	.			trans	-64.4	146.8	178.6	23.2	-29.1	0	0	0	111.1	P365 P366 T436 I437	P365-P378 HydrophobicContact CB-CG 4.36Å; P366-P378 HydrophobicContact CG-CB 4.44Å; P378-T436 HydrophobicContact CB-CG2 4.24Å; P378-T436 WeakPolarHBondContact CG-OG1 3.33Å; P378-T436 CarbonylContact O-C 3.47Å; P378-T436 VanDerWaalsContact O-CA 3.29Å; P378-T436 WeakPolarHBondContact O-CA 3.18Å; P378-I437 PolarHBondContact O-N 3Å
379	Q	91	Very high	82	Confident	114 Å²	114	78.5 Å²	78.5	53%	0.533	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147	179.4	-57.4	-170.8	2.4	0	0	111.4	I437 N439	Q379-I437 CarbonylContact C-O 3.58Å; Q379-I437 VanDerWaalsContact CA-O 3.31Å; Q379-I437 WeakPolarHBondContact CA-O 3.32Å; Q379-I437 HydrophobicContact CG-CB 4.36Å; Q379-N439 PolarHBondContact OE1-ND2 3.02Å
380	V	94.3	Very high	83.2	Confident	15 Å²	15	74.9 Å²	74.9	9%	0.091	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	142	176.5	68.5	0	0	0	0	110.5	L362 P363 T384 L385 T436 I437 V438 N439	L362-V380 HydrophobicContact CD2-CG1 4Å; P363-V380 HydrophobicContact CG-CB 4.23Å; P363-V380 HydrophobicContact CG-CG2 4.14Å; V380-T384 HydrophobicContact CG2-CG2 4.24Å; V380-L385 HydrophobicContact CG1-CD1 4.05Å; V380-L385 HydrophobicContact CG1-CD2 3.99Å; V380-L385 HydrophobicContact CG1-CG 4.13Å; V380-L385 HydrophobicContact CG2-CD2 3.95Å; V380-L385 HydrophobicContact CG2-CG 4.28Å; V380-T436 HydrophobicContact CB-CG2 4.03Å; V380-T436 HydrophobicContact CG1-CG2 3.71Å; V380-I437 PolarHBondContact N-O 3.2Å; V380-V438 HydrophobicContact CG1-CG2 4.11Å; V380-V438 CarbonylContact O-C 3.55Å; V380-V438 WeakPolarHBondContact O-CA 3.24Å; V380-N439 PolarHBondContact O-N 3.33Å
381	S	95.3	Very high	84.3	Confident	48 Å²	48	71 Å²	71	34%	0.336	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	144.3	174.1	88.2	0	0	0	0	111.2	A383 T384 L385	S381-A383 PolarHBondContact O-N 3.41Å; S381-T384 WeakPolarHBondContact O-CB 3.31Å; S381-T384 PolarHBondContact O-N 2.86Å; S381-T384 PolarHBondContact OG-N 2.69Å; S381-T384 VanDerWaalsContact OG-N 3.12Å; S381-T384 PolarHBondContact OG-OG1 2.87Å; S381-L385 PolarHBondContact O-N 2.68Å
382	L	94.9	Very high	85.5	Confident	3 Å²	3	67.5 Å²	67.5	2%	0.016	36%	0.363	C	S	.	.	H	α-helix	trans	-60.2	-35.6	174.6	179.1	62.8	0	0	0	112.1	T384 L385 L386 L419 M421 V438 N439 F440 I445 W521	L382-T384 VanDerWaalsContact C-N 3.29Å; L382-T384 PolarHBondContact O-N 3.24Å; L382-L385 PolarHBondContact O-N 3.37Å; L382-L385 VanDerWaalsContact O-N 3.13Å; L382-L386 HydrophobicContact CD1-CD1 4.2Å; L382-L386 HydrophobicContact CD1-CG 4.11Å; L382-L386 HydrophobicContact CD2-CD1 4.24Å; L382-L386 HydrophobicContact CG-CD1 3.76Å; L382-L386 HydrophobicContact CG-CG 4.15Å; L382-L386 WeakPolarHBondContact O-CG 3.44Å; L382-L386 PolarHBondContact O-N 2.98Å; L382-L419 HydrophobicContact CD1-CD1 3.96Å; L382-L419 HydrophobicContact CD2-CD1 4.33Å; L382-M421 HydrophobicContact CD1-CE 4.09Å; L382-V438 HydrophobicContact CB-CG1 4.03Å; L382-V438 HydrophobicContact CD1-CG1 4.24Å; L382-N439 PolarHBondContact N-O 3.09Å; L382-F440 HydrophobicContact CB-CB 3.86Å; L382-F440 HydrophobicContact CD2-CB 3.67Å; L382-F440 HydrophobicContact CG-CB 4.37Å; L382-I445 HydrophobicContact CD2-CD1 3.86Å; L382-W521 HydrophobicContact CD2-CH2 4.45Å; L382-W521 HydrophobicContact CD2-CZ2 3.86Å
383	A	93.7	Very high	86.8	Confident	72 Å²	72	63.3 Å²	63.3	60%	0.595	35%	0.35	S	S	*	.	H	α-helix	trans	-58.9	-41	176.6	0	0	0	0	0	111.9	S381 L385 L386 S387	S381-A383 PolarHBondContact O-N 3.41Å; A383-L385 VanDerWaalsContact C-N 3.35Å; A383-L385 PolarHBondContact O-N 3.24Å; A383-L386 PolarHBondContact O-N 3.21Å; A383-S387 PolarHBondContact O-N 3.34Å
384	T	94.4	Very high	88.3	Confident	84 Å²	84	59.9 Å²	59.9	52%	0.515	34%	0.336	S	S	.	.	H	α-helix	trans	-60.9	-43.1	175	-52.3	0	0	0	0	111.5	V380 S381 L382 S387	V380-T384 HydrophobicContact CG2-CG2 4.24Å; S381-T384 WeakPolarHBondContact O-CB 3.31Å; S381-T384 PolarHBondContact O-N 2.86Å; S381-T384 PolarHBondContact OG-N 2.69Å; S381-T384 VanDerWaalsContact OG-N 3.12Å; S381-T384 PolarHBondContact OG-OG1 2.87Å; L382-T384 VanDerWaalsContact C-N 3.29Å; L382-T384 PolarHBondContact O-N 3.24Å; T384-S387 WeakPolarHBondContact O-CB 3.42Å; T384-S387 PolarHBondContact O-N 3.04Å; T384-S387 PolarHBondContact O-OG 3.3Å
385	L	94.7	Very high	89.9	Confident	10 Å²	10	54.9 Å²	54.9	5%	0.052	31%	0.312	C	S	.	.	H	α-helix	trans	-66.8	-39.5	178	-57.9	-178.8	0	0	0	112.3	C360 D361 L362 V380 S381 L382 A383 S387 V438	C360-L385 HydrophobicContact CB-CB 4.15Å; C360-L385 HydrophobicContact CB-CD1 4.3Å; D361-L385 VanDerWaalsContact O-CD2 3.29Å; D361-L385 WeakPolarHBondContact O-CD2 3.46Å; L362-L385 HydrophobicContact CD2-CD1 3.82Å; L362-L385 HydrophobicContact CD2-CD2 4.19Å; V380-L385 HydrophobicContact CG1-CD1 4.05Å; V380-L385 HydrophobicContact CG1-CD2 3.99Å; V380-L385 HydrophobicContact CG1-CG 4.13Å; V380-L385 HydrophobicContact CG2-CD2 3.95Å; V380-L385 HydrophobicContact CG2-CG 4.28Å; S381-L385 PolarHBondContact O-N 2.68Å; L382-L385 PolarHBondContact O-N 3.37Å; L382-L385 VanDerWaalsContact O-N 3.13Å; A383-L385 VanDerWaalsContact C-N 3.35Å; A383-L385 PolarHBondContact O-N 3.24Å; L385-S387 VanDerWaalsContact C-N 3.26Å; L385-S387 PolarHBondContact O-N 3.18Å; L385-V438 HydrophobicContact CD1-CB 4.48Å; L385-V438 HydrophobicContact CD1-CG1 3.7Å; L385-V438 HydrophobicContact CD1-CG2 3.88Å
386	L	94.6	Very high	91.4	Very high	8 Å²	8	53.6 Å²	53.6	4%	0.042	30%	0.302	C	S	.	.	H	α-helix	trans	-72.2	-19	-179.7	-69.2	173.2	0	0	0	113.2	L382 A383 K388 F389 L419 F447 L450	L382-L386 HydrophobicContact CD1-CD1 4.2Å; L382-L386 HydrophobicContact CD1-CG 4.11Å; L382-L386 HydrophobicContact CD2-CD1 4.24Å; L382-L386 HydrophobicContact CG-CD1 3.76Å; L382-L386 HydrophobicContact CG-CG 4.15Å; L382-L386 WeakPolarHBondContact O-CG 3.44Å; L382-L386 PolarHBondContact O-N 2.98Å; A383-L386 PolarHBondContact O-N 3.21Å; L386-K388 PolarHBondContact O-N 3.49Å; L386-F389 HydrophobicContact CD2-CD2 4.2Å; L386-F389 HydrophobicContact CD2-CE2 4.34Å; L386-F389 PolarHBondContact O-N 3.43Å; L386-L419 HydrophobicContact CD2-CD1 4.2Å; L386-L419 HydrophobicContact CD2-CD2 4.14Å; L386-F447 HydrophobicContact CD1-CD1 4.09Å; L386-F447 HydrophobicContact CD1-CE1 3.51Å; L386-F447 HydrophobicContact CD1-CZ 4.24Å; L386-F447 HydrophobicContact CD2-CE1 4.05Å; L386-F447 HydrophobicContact CG-CE1 4.45Å; L386-L450 HydrophobicContact CB-CD1 3.94Å; L386-L450 HydrophobicContact CB-CD2 3.97Å; L386-L450 HydrophobicContact CD1-CD1 4.24Å; L386-L450 HydrophobicContact CD2-CD1 4.16Å; L386-L450 HydrophobicContact CG-CD1 4.34Å; L386-L450 WeakPolarHBondContact O-CD2 3.4Å
387	S	93.8	Very high	92.2	Very high	41 Å²	41	50.2 Å²	50.2	29%	0.287	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-54.3	-22.7	174.7	75.9	0	0	0	0	113.2	A383 T384 L385 F389 N390 T393	A383-S387 PolarHBondContact O-N 3.34Å; T384-S387 WeakPolarHBondContact O-CB 3.42Å; T384-S387 PolarHBondContact O-N 3.04Å; T384-S387 PolarHBondContact O-OG 3.3Å; L385-S387 VanDerWaalsContact C-N 3.26Å; L385-S387 PolarHBondContact O-N 3.18Å; S387-F389 PolarHBondContact O-N 3.06Å; S387-F389 VanDerWaalsContact O-N 3.14Å; S387-N390 PolarHBondContact O-N 2.88Å; S387-N390 PolarHBondContact O-ND2 2.84Å; S387-N390 PolarHBondContact O-OD1 2.84Å; S387-T393 WeakPolarHBondContact O-CB 3.22Å; S387-T393 PolarHBondContact O-OG1 3.22Å
388	K	93.9	Very high	92.4	Very high	21 Å²	21	53.3 Å²	53.3	9%	0.091	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-54.3	-27.7	171.3	178	-180	171.2	-175.6	0	113.9	T359 D361 L386 Y397 F408	T359-K388 PolarHBondContact O-NZ 3.23Å; D361-K388 WeakPolarHBondContact OD2-CD 3.19Å; D361-K388 WeakPolarHBondContact OD2-CE 3.13Å; D361-K388 IonicContact OD2-NZ 2.88Å; D361-K388 PolarHBondContact OD2-NZ 3.37Å; L386-K388 PolarHBondContact O-N 3.49Å; K388-Y397 PolarHBondContact NZ-OH 3.28Å; K388-F408 HydrophobicContact CG-CD2 4.19Å
389	F	94.9	Very high	92.1	Very high	5 Å²	5	56.2 Å²	56.2	2%	0.022	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-108.1	8.6	-170.7	-49.9	-71.3	0	0	0	114.5	L358 T359 L386 S387 G391 F408 L410	L358-F389 HydrophobicContact CB-CE1 4.34Å; L358-F389 HydrophobicContact CB-CE2 3.95Å; L358-F389 HydrophobicContact CB-CZ 3.73Å; L358-F389 HydrophobicContact CD1-CD2 4.16Å; L358-F389 HydrophobicContact CD1-CE2 4.2Å; L358-F389 HydrophobicContact CD1-CG 4.43Å; L358-F389 HydrophobicContact CD1-CZ 4.5Å; L358-F389 HydrophobicContact CD2-CD1 4.19Å; L358-F389 HydrophobicContact CD2-CE1 3.93Å; L358-F389 HydrophobicContact CD2-CZ 4.19Å; L358-F389 HydrophobicContact CG-CZ 4.36Å; T359-F389 WeakPolarHBondContact O-CZ 3.23Å; L386-F389 HydrophobicContact CD2-CD2 4.2Å; L386-F389 HydrophobicContact CD2-CE2 4.34Å; L386-F389 PolarHBondContact O-N 3.43Å; S387-F389 PolarHBondContact O-N 3.06Å; S387-F389 VanDerWaalsContact O-N 3.14Å; F389-G391 VanDerWaalsContact C-N 3.28Å; F389-G391 PolarHBondContact O-N 3.46Å; F389-F408 CarbonylContact C-O 3.56Å; F389-F408 WeakPolarHBondContact CA-O 3.42Å; F389-F408 HydrophobicContact CD1-CB 3.97Å; F389-F408 HydrophobicContact CD1-CG 4.48Å; F389-L410 HydrophobicContact CB-CD1 4.08Å; F389-L410 HydrophobicContact CB-CD2 4.21Å; F389-L410 HydrophobicContact CB-CG 3.87Å; F389-L410 PolarHBondContact O-N 2.76Å
390	N	92.1	Very high	91.4	Very high	53 Å²	53	59.6 Å²	59.6	28%	0.283	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-1.2	-176.2	67.6	2	0	0	0	114.5	S387 V392 T393	S387-N390 PolarHBondContact O-N 2.88Å; S387-N390 PolarHBondContact O-ND2 2.84Å; S387-N390 PolarHBondContact O-OD1 2.84Å; N390-V392 VanDerWaalsContact C-N 3.3Å; N390-V392 PolarHBondContact O-N 3.45Å; N390-V392 WeakPolarHBondContact OD1-CA 3.46Å; N390-V392 PolarHBondContact OD1-N 3.04Å; N390-T393 PolarHBondContact ND2-OG1 3.19Å; N390-T393 PolarHBondContact OD1-N 3.32Å
391	G	90.1	Very high	90.6	Very high	14 Å²	14	69.4 Å²	69.4	14%	0.144	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77.6	6.2	-176.3	0	0	0	0	0	115.6	F389 R407 F408	F389-G391 VanDerWaalsContact C-N 3.28Å; F389-G391 PolarHBondContact O-N 3.46Å; G391-R407 WeakPolarHBondContact O-CD 3.41Å; G391-R407 PolarHBondContact O-NE 3.38Å; G391-F408 VanDerWaalsContact CA-O 3.28Å; G391-F408 WeakPolarHBondContact CA-O 3.37Å; G391-F408 PolarHBondContact N-O 3.47Å
392	V	92	Very high	90	Very high	107 Å²	107	70.2 Å²	70.2	65%	0.648	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	-49.4	-179.9	-178	0	0	0	0	111.1	N390 E394	N390-V392 VanDerWaalsContact C-N 3.3Å; N390-V392 PolarHBondContact O-N 3.45Å; N390-V392 WeakPolarHBondContact OD1-CA 3.46Å; N390-V392 PolarHBondContact OD1-N 3.04Å; V392-E394 PolarHBondContact O-N 2.96Å
393	T	92.6	Very high	89.6	Confident	55 Å²	55	71.6 Å²	71.6	34%	0.337	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	120.2	-174.5	-55.5	0	0	0	0	111	S387 N390	S387-T393 WeakPolarHBondContact O-CB 3.22Å; S387-T393 PolarHBondContact O-OG1 3.22Å; N390-T393 PolarHBondContact ND2-OG1 3.19Å; N390-T393 PolarHBondContact OD1-N 3.32Å
394	E	92.5	Very high	89.5	Confident	89 Å²	89	69.2 Å²	69.2	42%	0.416	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	138.3	172.2	-57.7	-166.5	160.7	0	0	110.2	R325 V392 L405 R407	R325-E394 IonicContact NH2-OE1 3.96Å; R325-E394 IonicContact NH2-OE2 3.83Å; R325-E394 PolarHBondContact NH2-OE2 3.46Å; V392-E394 PolarHBondContact O-N 2.96Å; E394-L405 HydrophobicContact CB-CD2 4.44Å; E394-R407 HydrophobicContact CG-CB 4.36Å
395	K	91.6	Very high	89.4	Confident	58 Å²	58	67.1 Å²	67.1	25%	0.252	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	131.6	175.3	-176.5	-178.9	177.9	-152.8	0	110.2	D361 Y397 R406	D361-K395 IonicContact OD1-NZ 2.72Å; D361-K395 PolarHBondContact OD1-NZ 3.05Å; D361-K395 WeakPolarHBondContact OD2-CE 3.45Å; D361-K395 IonicContact OD2-NZ 3.46Å; D361-K395 PolarHBondContact OD2-NZ 2.75Å; K395-Y397 HydrophobicContact CB-CE2 3.95Å; K395-Y397 HydrophobicContact CD-CE2 3.82Å; K395-Y397 HydrophobicContact CG-CD2 4.37Å; K395-Y397 HydrophobicContact CG-CE2 3.89Å; K395-Y397 WeakPolarHBondContact O-CD2 3.4Å; K395-R406 PolarHBondContact N-O 3.35Å; K395-R406 PolarHBondContact O-N 3.12Å
396	E	91.4	Very high	89.4	Confident	83 Å²	83	70.5 Å²	70.5	39%	0.388	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	131.2	172.3	-172.1	179.6	-168	0	0	111.2	I327 K398 S403 T404 L405	I327-E396 HydrophobicContact CD1-CG 3.91Å; E396-K398 HydrophobicContact CG-CG 4.08Å; E396-K398 WeakPolarHBondContact OE1-CE 3.4Å; E396-K398 IonicContact OE1-NZ 3.66Å; E396-K398 WeakPolarHBondContact OE2-CE 3.37Å; E396-K398 IonicContact OE2-NZ 2.72Å; E396-S403 VanDerWaalsContact OE1-CB 3.3Å; E396-S403 WeakPolarHBondContact OE1-CB 3.43Å; E396-S403 PolarHBondContact OE1-OG 3.43Å; E396-T404 CarbonylContact C-O 3.58Å; E396-T404 WeakPolarHBondContact CA-O 3.39Å; E396-L405 HydrophobicContact CB-CD2 4.05Å
397	Y	88.5	Confident	89.4	Confident	59 Å²	59	73.8 Å²	73.8	23%	0.231	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	112.2	170.9	-71.8	-98.6	0	0	0	108.2	K388 K395 T404 R406 F408	K388-Y397 PolarHBondContact NZ-OH 3.28Å; K395-Y397 HydrophobicContact CB-CE2 3.95Å; K395-Y397 HydrophobicContact CD-CE2 3.82Å; K395-Y397 HydrophobicContact CG-CD2 4.37Å; K395-Y397 HydrophobicContact CG-CE2 3.89Å; K395-Y397 WeakPolarHBondContact O-CD2 3.4Å; Y397-T404 PolarHBondContact N-O 3.32Å; Y397-T404 PolarHBondContact O-N 3.11Å; Y397-T404 PolarHBondContact O-OG1 3Å; Y397-R406 HydrophobicContact CD2-CB 3.88Å; Y397-R406 HydrophobicContact CD2-CG 3.78Å; Y397-R406 HydrophobicContact CE2-CB 3.75Å; Y397-R406 HydrophobicContact CE2-CG 4.08Å; Y397-F408 HydrophobicContact CE2-CE2 4.05Å; Y397-F408 HydrophobicContact CE2-CZ 4.23Å
398	K	85.3	Confident	89.5	Confident	153 Å²	153	72.5 Å²	72.5	67%	0.665	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	124	177.9	-58.8	-172.8	175.6	177.3	0	109.5	E396	E396-K398 HydrophobicContact CG-CG 4.08Å; E396-K398 WeakPolarHBondContact OE1-CE 3.4Å; E396-K398 IonicContact OE1-NZ 3.66Å; E396-K398 WeakPolarHBondContact OE2-CE 3.37Å; E396-K398 IonicContact OE2-NZ 2.72Å
399	T	82.4	Confident	89.5	Confident	88 Å²	88	72.3 Å²	72.3	54%	0.54	35%	0.346	S	S	.	.			trans	-103.9	173.5	163.7	67.5	0	0	0	0	108.7	R401 D402	T399-R401 PolarHBondContact O-N 2.95Å; T399-R401 VanDerWaalsContact O-N 3.13Å; T399-D402 PolarHBondContact N-O 3.07Å; T399-D402 PolarHBondContact OG1-N 2.88Å; T399-D402 VanDerWaalsContact OG1-N 3.1Å; T399-D402 PolarHBondContact OG1-O 3.31Å
400	H	76.4	Confident	89.6	Confident	186 Å²	186	72.1 Å²	72.1	86%	0.861	35%	0.345	S	S	*	.	S	Bend	trans	-57.3	-28.8	-179.9	-177.7	-70.6	0	0	0	113.4
401	R	78.1	Confident	89.7	Confident	221 Å²	221	71.3 Å²	71.3	83%	0.834	34%	0.338	S	S	*	.	S	Bend	trans	-110.6	-36.5	-174.3	-63.7	-176.2	-179	-176.4	0.2	112.7	T399	T399-R401 PolarHBondContact O-N 2.95Å; T399-R401 VanDerWaalsContact O-N 3.13Å
402	D	81.3	Confident	89.9	Confident	64 Å²	64	75 Å²	75	34%	0.342	35%	0.348	S	S	.	.			trans	-133.2	141.7	-167.9	-62.5	-36.2	0	0	0	111.9	K326 T399	K326-D402 HydrophobicContact CD-CB 4.47Å; K326-D402 WeakPolarHBondContact CE-OD1 3.28Å; K326-D402 WeakPolarHBondContact CE-OD2 3.3Å; K326-D402 IonicContact NZ-OD1 2.92Å; K326-D402 PolarHBondContact NZ-OD1 3.11Å; K326-D402 IonicContact NZ-OD2 2.98Å; K326-D402 PolarHBondContact NZ-OD2 3.46Å; T399-D402 PolarHBondContact N-O 3.07Å; T399-D402 PolarHBondContact OG1-N 2.88Å; T399-D402 VanDerWaalsContact OG1-N 3.1Å; T399-D402 PolarHBondContact OG1-O 3.31Å
403	S	88.2	Confident	90	Very high	32 Å²	32	70.2 Å²	70.2	22%	0.224	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	134.9	163.1	-75.2	0	0	0	0	109.7	I327 E396	I327-S403 PolarHBondContact N-O 2.88Å; E396-S403 VanDerWaalsContact OE1-CB 3.3Å; E396-S403 WeakPolarHBondContact OE1-CB 3.43Å; E396-S403 PolarHBondContact OE1-OG 3.43Å
404	T	91.2	Very high	90.2	Very high	23 Å²	23	67.6 Å²	67.6	14%	0.141	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134	175.1	56.7	0	0	0	0	110.1	R325 E396 Y397	R325-T404 CarbonylContact O-C 3.48Å; R325-T404 VanDerWaalsContact O-CA 3.32Å; R325-T404 WeakPolarHBondContact O-CA 3.4Å; E396-T404 CarbonylContact C-O 3.58Å; E396-T404 WeakPolarHBondContact CA-O 3.39Å; Y397-T404 PolarHBondContact N-O 3.32Å; Y397-T404 PolarHBondContact O-N 3.11Å; Y397-T404 PolarHBondContact O-OG1 3Å
405	L	92.4	Very high	90.4	Very high	39 Å²	39	65.7 Å²	65.7	20%	0.204	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	125.2	168.2	-71.5	167.5	0	0	0	108.5	R325 I327 E394 E396	R325-L405 PolarHBondContact N-O 2.91Å; R325-L405 PolarHBondContact O-N 2.66Å; I327-L405 HydrophobicContact CD1-CD1 4.03Å; I327-L405 HydrophobicContact CD1-CD2 3.97Å; I327-L405 HydrophobicContact CD1-CG 3.6Å; I327-L405 HydrophobicContact CG1-CD1 3.93Å; I327-L405 HydrophobicContact CG1-CG 3.66Å; E394-L405 HydrophobicContact CB-CD2 4.44Å; E396-L405 HydrophobicContact CB-CD2 4.05Å
406	R	94.3	Very high	90.7	Very high	82 Å²	82	63.8 Å²	63.8	31%	0.309	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.9	176.3	-59.7	-177.1	-180	-170.3	0.7	111.1	Y323 K395 Y397 F408	Y323-R406 CarbonylContact O-C 3.58Å; Y323-R406 VanDerWaalsContact O-CA 3.23Å; Y323-R406 WeakPolarHBondContact O-CA 3.32Å; K395-R406 PolarHBondContact N-O 3.35Å; K395-R406 PolarHBondContact O-N 3.12Å; Y397-R406 HydrophobicContact CD2-CB 3.88Å; Y397-R406 HydrophobicContact CD2-CG 3.78Å; Y397-R406 HydrophobicContact CE2-CB 3.75Å; Y397-R406 HydrophobicContact CE2-CG 4.08Å; R406-F408 HydrophobicContact CB-CE2 3.87Å; R406-F408 HydrophobicContact CB-CZ 3.89Å
407	R	94.6	Very high	91	Very high	76 Å²	76	59.8 Å²	59.8	29%	0.287	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.4	175.2	-174	179.4	75.7	176.9	-4	108.8	M322 Y323 G391 E394	M322-R407 WeakPolarHBondContact CA-O 3.15Å; Y323-R407 HydrophobicContact CD2-CB 4.32Å; Y323-R407 HydrophobicContact CD2-CG 4.47Å; Y323-R407 PolarHBondContact N-O 3.25Å; Y323-R407 PolarHBondContact O-N 2.88Å; G391-R407 WeakPolarHBondContact O-CD 3.41Å; G391-R407 PolarHBondContact O-NE 3.38Å; E394-R407 HydrophobicContact CG-CB 4.36Å
408	F	95.6	Very high	91.5	Very high	14 Å²	14	57 Å²	57	6%	0.061	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.9	-176	-57.2	-89.6	0	0	0	110.1	M320 R321 M322 K388 F389 G391 Y397 R406	M320-F408 HydrophobicContact SD-CD1 3.97Å; R321-F408 WeakPolarHBondContact O-CA 3.37Å; M322-F408 HydrophobicContact CB-CD1 4.14Å; M322-F408 HydrophobicContact CB-CE1 4.17Å; M322-F408 HydrophobicContact CG-CD1 3.97Å; M322-F408 HydrophobicContact CG-CE1 3.6Å; M322-F408 HydrophobicContact CG-CZ 4.24Å; M322-F408 HydrophobicContact SD-CD1 4.4Å; M322-F408 HydrophobicContact SD-CE1 3.51Å; M322-F408 VanDerWaalsContact SD-CE1 3.51Å; M322-F408 HydrophobicContact SD-CZ 4.01Å; K388-F408 HydrophobicContact CG-CD2 4.19Å; F389-F408 CarbonylContact C-O 3.56Å; F389-F408 WeakPolarHBondContact CA-O 3.42Å; F389-F408 HydrophobicContact CD1-CB 3.97Å; F389-F408 HydrophobicContact CD1-CG 4.48Å; G391-F408 VanDerWaalsContact CA-O 3.28Å; G391-F408 WeakPolarHBondContact CA-O 3.37Å; G391-F408 PolarHBondContact N-O 3.47Å; Y397-F408 HydrophobicContact CE2-CE2 4.05Å; Y397-F408 HydrophobicContact CE2-CZ 4.23Å; R406-F408 HydrophobicContact CB-CE2 3.87Å; R406-F408 HydrophobicContact CB-CZ 3.89Å
409	E	94.8	Very high	92.1	Very high	18 Å²	18	49.8 Å²	49.8	8%	0.084	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	118.2	179.5	-175.5	-167.1	169.2	0	0	109.1	M320 R321 Y323 R411	M320-E409 CarbonylContact C-O 3.4Å; M320-E409 VanDerWaalsContact CA-O 3.24Å; M320-E409 WeakPolarHBondContact CA-O 3.48Å; M320-E409 WeakPolarHBondContact CB-O 3.36Å; R321-E409 HydrophobicContact CB-CB 4.47Å; R321-E409 PolarHBondContact N-O 2.92Å; R321-E409 PolarHBondContact O-N 3.14Å; Y323-E409 HydrophobicContact CE2-CB 4.09Å; Y323-E409 WeakPolarHBondContact CE2-OE2 3.43Å; Y323-E409 PolarHBondContact OH-OE2 3.07Å; E409-R411 PolarHBondContact O-N 2.93Å; E409-R411 IonicContact OE1-CZ 3.69Å; E409-R411 VanDerWaalsContact OE1-CZ 3.24Å; E409-R411 IonicContact OE1-NE 3.41Å; E409-R411 PolarHBondContact OE1-NE 2.8Å; E409-R411 IonicContact OE1-NH1 3.96Å; E409-R411 IonicContact OE1-NH2 3.47Å; E409-R411 PolarHBondContact OE1-NH2 2.92Å; E409-R411 IonicContact OE2-CZ 3.69Å; E409-R411 IonicContact OE2-NE 3.97Å; E409-R411 PolarHBondContact OE2-NE 3.44Å; E409-R411 IonicContact OE2-NH2 2.91Å; E409-R411 PolarHBondContact OE2-NH2 2.67Å
410	L	95.6	Very high	92.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	131.3	176.7	-62	-178.4	0	0	0	110.1	M320 F355 L358 F389 L413 L450 L451	M320-L410 HydrophobicContact CB-CD2 3.98Å; F355-L410 HydrophobicContact CE1-CD2 3.82Å; F355-L410 HydrophobicContact CZ-CD2 3.93Å; L358-L410 HydrophobicContact CD1-CD1 4.16Å; L358-L410 HydrophobicContact CD1-CD2 4.18Å; L358-L410 HydrophobicContact CD2-CD2 4.03Å; F389-L410 HydrophobicContact CB-CD1 4.08Å; F389-L410 HydrophobicContact CB-CD2 4.21Å; F389-L410 HydrophobicContact CB-CG 3.87Å; F389-L410 PolarHBondContact O-N 2.76Å; L410-L413 HydrophobicContact CD1-CD2 3.84Å; L410-L450 HydrophobicContact CD1-CB 3.83Å; L410-L450 HydrophobicContact CD1-CD1 3.98Å; L410-L451 HydrophobicContact CB-CD2 3.66Å; L410-L451 VanDerWaalsContact O-CD2 3.26Å; L410-L451 WeakPolarHBondContact O-CD2 3.03Å
411	R	93.9	Very high	93.8	Very high	36 Å²	36	37.5 Å²	37.5	14%	0.136	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-29.5	177.9	-63.9	-72.3	179.5	159.1	-14.6	111.5	K319 R321 Y323 E409 E454 F455	K319-R411 HydrophobicContact CB-CB 4.43Å; K319-R411 PolarHBondContact O-N 3.17Å; R321-R411 HydrophobicContact CB-CG 4.11Å; Y323-R411 PolarHBondContact OH-NH2 2.94Å; E409-R411 PolarHBondContact O-N 2.93Å; E409-R411 IonicContact OE1-CZ 3.69Å; E409-R411 VanDerWaalsContact OE1-CZ 3.24Å; E409-R411 IonicContact OE1-NE 3.41Å; E409-R411 PolarHBondContact OE1-NE 2.8Å; E409-R411 IonicContact OE1-NH1 3.96Å; E409-R411 IonicContact OE1-NH2 3.47Å; E409-R411 PolarHBondContact OE1-NH2 2.92Å; E409-R411 IonicContact OE2-CZ 3.69Å; E409-R411 IonicContact OE2-NE 3.97Å; E409-R411 PolarHBondContact OE2-NE 3.44Å; E409-R411 IonicContact OE2-NH2 2.91Å; E409-R411 PolarHBondContact OE2-NH2 2.67Å; R411-E454 IonicContact CZ-OE1 3.55Å; R411-E454 IonicContact NH1-OE1 2.87Å; R411-E454 PolarHBondContact NH1-OE1 2.98Å; R411-E454 VanDerWaalsContact NH1-OE1 3.09Å; R411-F455 HydrophobicContact CB-CD1 4.45Å; R411-F455 HydrophobicContact CG-CE2 4.48Å; R411-F455 VanDerWaalsContact CZ-CE2 3.42Å; R411-F455 WeakPolarHBondContact O-CD1 3.31Å; R411-F455 WeakPolarHBondContact O-CG 3.25Å
412	R	94.3	Very high	94.6	Very high	91 Å²	91	31.4 Å²	31.4	34%	0.343	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	127.8	178.6	179	-177.6	166.2	139.1	4.1	111.7	G318 K319	G318-R412 WeakPolarHBondContact CA-O 3.13Å; K319-R412 HydrophobicContact CB-CB 3.95Å; K319-R412 HydrophobicContact CG-CB 4.3Å; K319-R412 PolarHBondContact N-O 2.76Å; K319-R412 PolarHBondContact O-N 3.14Å
413	L	95.8	Very high	95.2	Very high	7 Å²	7	28.3 Å²	28.3	4%	0.037	13%	0.128	C	C	.	.			trans	-88.3	137.1	171.3	-62.4	173.9	0	0	0	111.1	L410 F447 L451 H459 Y464	L410-L413 HydrophobicContact CD1-CD2 3.84Å; L413-F447 HydrophobicContact CD1-CB 3.83Å; L413-F447 HydrophobicContact CD2-CB 4.49Å; L413-L451 HydrophobicContact CD1-CD1 3.79Å; L413-L451 HydrophobicContact CD1-CG 4.28Å; L413-L451 HydrophobicContact CG-CD1 4.05Å; L413-L451 HydrophobicContact CG-CD2 4.23Å; L413-L451 HydrophobicContact CG-CG 4.32Å; L413-H459 PolarHBondContact N-NE2 3.18Å; L413-H459 VanDerWaalsContact N-NE2 3.11Å; L413-Y464 WeakPolarHBondContact CB-OH 2.94Å; L413-Y464 HydrophobicContact CD1-CE2 4.1Å
414	P	96.1	Very high	95.4	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	12%	0.123	C	C	.	.			trans	-78.5	153.1	172.5	32.5	-34.2	0	0	0	111.6	L316 Y416 L417 Y464	L316-P414 VanDerWaalsContact C-CB 3.47Å; L316-P414 WeakPolarHBondContact O-CB 3.15Å; P414-Y416 WeakPolarHBondContact CB-O 3.15Å; P414-Y416 VanDerWaalsContact CG-O 3.24Å; P414-Y416 WeakPolarHBondContact CG-O 3.32Å; P414-Y416 PolarHBondContact O-N 2.91Å; P414-Y416 VanDerWaalsContact O-N 3.14Å; P414-L417 HydrophobicContact CG-CB 4.15Å; P414-L417 HydrophobicContact CG-CD1 3.96Å; P414-Y464 WeakPolarHBondContact O-CE1 3.44Å; P414-Y464 PolarHBondContact O-OH 2.85Å
415	P	96.3	Very high	95.2	Very high	49 Å²	49	30.7 Å²	30.7	32%	0.318	14%	0.139	S	C	.	.	S	Bend	trans	-53.9	-31.9	173.5	-27.2	34.2	0	0	0	114.5	T315 V523	T315-P415 WeakPolarHBondContact O-CD 3.5Å; P415-V523 HydrophobicContact CB-CG1 4.31Å; P415-V523 WeakPolarHBondContact O-CG1 3.46Å; P415-V523 PolarHBondContact O-N 3.49Å
416	Y	97.9	Very high	94.8	Very high	17 Å²	17	36.2 Å²	36.2	7%	0.067	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	118.4	170	-76.7	-105.8	0	0	0	109.1	I204 S205 P206 T315 P414 V467 R490 V520 W521 A522	I204-Y416 HydrophobicContact CB-CD1 4.26Å; I204-Y416 HydrophobicContact CB-CE1 4.22Å; I204-Y416 HydrophobicContact CG1-CD1 4.04Å; I204-Y416 HydrophobicContact CG1-CE1 4.3Å; I204-Y416 HydrophobicContact CG2-CD1 3.72Å; I204-Y416 HydrophobicContact CG2-CD2 3.96Å; I204-Y416 HydrophobicContact CG2-CE1 3.87Å; I204-Y416 HydrophobicContact CG2-CE2 4.15Å; I204-Y416 HydrophobicContact CG2-CG 3.75Å; S205-Y416 PolarHBondContact N-OH 3.11Å; S205-Y416 PolarHBondContact OG-OH 3.5Å; P206-Y416 HydrophobicContact CG-CD2 4.36Å; P206-Y416 HydrophobicContact CG-CE2 3.71Å; T315-Y416 HydrophobicContact CG2-CD2 3.65Å; T315-Y416 HydrophobicContact CG2-CE2 4.35Å; T315-Y416 HydrophobicContact CG2-CG 4.2Å; T315-Y416 PolarHBondContact O-N 2.87Å; T315-Y416 VanDerWaalsContact O-N 3.1Å; P414-Y416 WeakPolarHBondContact CB-O 3.15Å; P414-Y416 VanDerWaalsContact CG-O 3.24Å; P414-Y416 WeakPolarHBondContact CG-O 3.32Å; P414-Y416 PolarHBondContact O-N 2.91Å; P414-Y416 VanDerWaalsContact O-N 3.14Å; Y416-V467 HydrophobicContact CE1-CG2 4.44Å; Y416-R490 PolarHBondContact OH-NH2 3.34Å; Y416-V520 HydrophobicContact CD1-CG1 3.86Å; Y416-W521 CarbonylContact C-O 3.59Å; Y416-W521 VanDerWaalsContact CA-O 3.23Å; Y416-W521 WeakPolarHBondContact CA-O 3.49Å; Y416-A522 HydrophobicContact CD1-CB 3.84Å; Y416-A522 HydrophobicContact CE1-CB 3.54Å; Y416-A522 HydrophobicContact CE2-CB 4.48Å; Y416-A522 HydrophobicContact CG-CB 4.47Å
417	L	97.6	Very high	94.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	123.4	-178.7	178.5	63.9	0	0	0	110.1	F355 L358 P414 L419 F447 Y464 W521	F355-L417 HydrophobicContact CE2-CD1 3.89Å; L358-L417 HydrophobicContact CD1-CD1 3.91Å; L358-L417 HydrophobicContact CD1-CD2 4.47Å; L358-L417 HydrophobicContact CG-CD1 4.11Å; P414-L417 HydrophobicContact CG-CB 4.15Å; P414-L417 HydrophobicContact CG-CD1 3.96Å; L417-L419 HydrophobicContact CD1-CD2 4.46Å; L417-L419 HydrophobicContact CD2-CD2 4Å; L417-L419 HydrophobicContact CG-CD2 3.98Å; L417-F447 HydrophobicContact CD2-CD1 3.57Å; L417-F447 HydrophobicContact CD2-CD2 4.49Å; L417-F447 HydrophobicContact CD2-CE1 3.52Å; L417-F447 HydrophobicContact CD2-CE2 4.44Å; L417-F447 HydrophobicContact CD2-CG 4.08Å; L417-F447 HydrophobicContact CD2-CZ 3.98Å; L417-Y464 HydrophobicContact CB-CD1 4.36Å; L417-Y464 HydrophobicContact CB-CE1 4.1Å; L417-W521 HydrophobicContact CB-CB 4.35Å; L417-W521 PolarHBondContact N-O 3.27Å; L417-W521 PolarHBondContact O-N 3.36Å
418	I	98.3	Very high	93.7	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.8	174.6	-54	-178.6	0	0	0	109	L281 L316 Y357 L358 I518 Q519 V520	L281-I418 HydrophobicContact CD2-CD1 4.46Å; L281-I418 HydrophobicContact CD2-CG2 4.17Å; L316-I418 HydrophobicContact CD1-CD1 4.14Å; L316-I418 HydrophobicContact CD2-CD1 4.14Å; L316-I418 HydrophobicContact CD2-CG1 4.36Å; Y357-I418 CarbonylContact C-O 3.48Å; Y357-I418 VanDerWaalsContact CA-O 3.23Å; Y357-I418 WeakPolarHBondContact CA-O 3.3Å; L358-I418 PolarHBondContact N-O 3.36Å; I418-I518 HydrophobicContact CG2-CG2 3.66Å; I418-Q519 CarbonylContact C-O 3.56Å; I418-Q519 VanDerWaalsContact CA-O 3.27Å; I418-Q519 WeakPolarHBondContact CA-O 3.45Å; I418-V520 HydrophobicContact CG1-CG2 4.24Å
419	L	98	Very high	92.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.4	170.5	-54	-176.5	0	0	0	108.9	L358 L382 L386 L417 M421 F447 I518 Q519	L358-L419 HydrophobicContact CB-CD2 3.88Å; L358-L419 HydrophobicContact CD1-CD2 4.11Å; L358-L419 HydrophobicContact CG-CD2 4.43Å; L382-L419 HydrophobicContact CD1-CD1 3.96Å; L382-L419 HydrophobicContact CD2-CD1 4.33Å; L386-L419 HydrophobicContact CD2-CD1 4.2Å; L386-L419 HydrophobicContact CD2-CD2 4.14Å; L417-L419 HydrophobicContact CD1-CD2 4.46Å; L417-L419 HydrophobicContact CD2-CD2 4Å; L417-L419 HydrophobicContact CG-CD2 3.98Å; L419-M421 HydrophobicContact CB-CE 3.98Å; L419-M421 HydrophobicContact CB-SD 4.39Å; L419-M421 HydrophobicContact CD1-CE 4.38Å; L419-F447 HydrophobicContact CD1-CE1 4.2Å; L419-F447 HydrophobicContact CD1-CZ 4.14Å; L419-I518 CarbonylContact O-C 3.57Å; L419-I518 WeakPolarHBondContact O-CA 3.47Å; L419-Q519 HydrophobicContact CB-CB 4.34Å; L419-Q519 PolarHBondContact N-O 2.85Å; L419-Q519 PolarHBondContact O-N 2.91Å
420	Y	98	Very high	92.4	Very high	17 Å²	17	50.2 Å²	50.2	7%	0.067	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.1	174.3	167.1	-119.1	0	0	0	109.2	I278 L358 T359 C360 K422 L517 I518	I278-Y420 HydrophobicContact CB-CD2 3.93Å; I278-Y420 HydrophobicContact CB-CE1 4.46Å; I278-Y420 HydrophobicContact CB-CE2 3.68Å; I278-Y420 HydrophobicContact CB-CG 4.41Å; I278-Y420 HydrophobicContact CD1-CD1 4.3Å; I278-Y420 HydrophobicContact CD1-CD2 3.94Å; I278-Y420 HydrophobicContact CD1-CG 3.8Å; I278-Y420 HydrophobicContact CG1-CD1 3.89Å; I278-Y420 HydrophobicContact CG1-CD2 3.82Å; I278-Y420 HydrophobicContact CG1-CE1 4.04Å; I278-Y420 HydrophobicContact CG1-CE2 3.95Å; I278-Y420 HydrophobicContact CG1-CG 3.79Å; I278-Y420 HydrophobicContact CG2-CD2 4.43Å; I278-Y420 HydrophobicContact CG2-CE1 4.12Å; I278-Y420 HydrophobicContact CG2-CE2 3.71Å; L358-Y420 PolarHBondContact O-N 2.89Å; T359-Y420 CarbonylContact C-O 3.54Å; T359-Y420 WeakPolarHBondContact CA-O 3.24Å; T359-Y420 HydrophobicContact CG2-CD1 3.8Å; T359-Y420 HydrophobicContact CG2-CE1 4.17Å; C360-Y420 PolarHBondContact N-O 3.07Å; Y420-K422 HydrophobicContact CE1-CB 4Å; Y420-K422 HydrophobicContact CE1-CG 4.26Å; Y420-L517 WeakPolarHBondContact CD2-O 3.25Å; Y420-L517 HydrophobicContact CE2-CD1 3.84Å; Y420-L517 HydrophobicContact CE2-CG 4.23Å; Y420-I518 HydrophobicContact CD2-CG1 3.93Å
421	M	97.2	Very high	92.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	109.2	177.4	-68.3	71	-177	0	0	107.7	L362 L382 L419 R423 V438 T516 L517 Q519	L362-M421 HydrophobicContact CD1-CB 4.47Å; L382-M421 HydrophobicContact CD1-CE 4.09Å; L419-M421 HydrophobicContact CB-CE 3.98Å; L419-M421 HydrophobicContact CB-SD 4.39Å; L419-M421 HydrophobicContact CD1-CE 4.38Å; M421-R423 PolarHBondContact O-N 2.8Å; M421-V438 HydrophobicContact CG-CG2 4.23Å; M421-T516 WeakPolarHBondContact CB-O 3.39Å; M421-T516 HydrophobicContact CE-CG2 4.22Å; M421-T516 HydrophobicContact CG-CG2 4.05Å; M421-T516 HydrophobicContact SD-CG2 4.16Å; M421-L517 PolarHBondContact N-O 3.49Å; M421-Q519 HydrophobicContact CE-CB 4.5Å; M421-Q519 HydrophobicContact CE-CG 3.84Å; M421-Q519 HydrophobicContact SD-CG 4.23Å
422	K	94.8	Very high	91.8	Very high	92 Å²	92	56.1 Å²	56.1	40%	0.4	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	91	-177.6	-171.5	178.5	-179.9	179.7	0	110.2	T359 C360 Y420	T359-K422 HydrophobicContact CG2-CB 4.06Å; T359-K422 HydrophobicContact CG2-CD 4.47Å; C360-K422 PolarHBondContact O-N 2.88Å; Y420-K422 HydrophobicContact CE1-CB 4Å; Y420-K422 HydrophobicContact CE1-CG 4.26Å
423	R	93.7	Very high	91.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.264	C	S	.	.			trans	-89.2	-34.1	-179.8	-71.6	-173.6	-179.9	-74.3	-8.5	113.7	L362 M421 K433 N434 T436 E515 T516 L517	L362-R423 HydrophobicContact CD1-CG 3.57Å; M421-R423 PolarHBondContact O-N 2.8Å; R423-K433 HydrophobicContact CB-CG 4.45Å; R423-K433 CarbonylContact O-C 3.56Å; R423-K433 WeakPolarHBondContact O-CA 3.46Å; R423-N434 PolarHBondContact NH1-O 3.21Å; R423-N434 WeakPolarHBondContact O-CB 3.27Å; R423-N434 PolarHBondContact O-N 3.07Å; R423-T436 PolarHBondContact NH1-O 3.3Å; R423-T436 PolarHBondContact NH2-O 3.17Å; R423-E515 PolarHBondContact NE-O 3.45Å; R423-T516 VanDerWaalsContact CZ-O 3.27Å; R423-T516 PolarHBondContact NE-O 3.31Å; R423-T516 PolarHBondContact NH2-O 2.6Å; R423-L517 HydrophobicContact CB-CD1 4.38Å; R423-L517 HydrophobicContact CG-CD1 4.48Å
424	F	92	Very high	91.6	Very high	27 Å²	27	53.7 Å²	53.7	12%	0.118	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	121.4	-175.2	-56	-73.9	0	0	0	110.3	L431 E432 K433 H472 P476 L517	F424-L431 HydrophobicContact CB-CD1 4.11Å; F424-L431 HydrophobicContact CB-CG 4.45Å; F424-L431 HydrophobicContact CD1-CD2 4.47Å; F424-E432 WeakPolarHBondContact CA-O 3.47Å; F424-K433 HydrophobicContact CD1-CB 4.14Å; F424-K433 HydrophobicContact CD1-CG 4.22Å; F424-K433 HydrophobicContact CE1-CB 3.98Å; F424-K433 HydrophobicContact CE1-CD 4.05Å; F424-K433 HydrophobicContact CE1-CG 3.74Å; F424-K433 HydrophobicContact CZ-CD 4.49Å; F424-K433 HydrophobicContact CZ-CG 4.37Å; F424-H472 HydrophobicContact CZ-CB 4.3Å; F424-H472 AromaticContact CZ-CD2 3.58Å; F424-H472 AromaticContact CZ-CE1 3.76Å; F424-H472 AromaticContact CZ-CG 3.64Å; F424-H472 AromaticContact CZ-ND1 3.74Å; F424-H472 AromaticContact CZ-NE2 3.65Å; F424-P476 HydrophobicContact CD1-CB 3.97Å; F424-P476 HydrophobicContact CE1-CB 4.13Å; F424-L517 HydrophobicContact CD2-CD1 4.3Å; F424-L517 HydrophobicContact CE2-CD1 3.76Å
425	V	87.1	Confident	91.3	Very high	78 Å²	78	55.8 Å²	55.8	47%	0.473	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	120	176.2	-177.5	0	0	0	0	107.8	N427 E432	V425-N427 PolarHBondContact O-N 3.05Å; V425-E432 PolarHBondContact N-O 3.43Å; V425-E432 PolarHBondContact O-N 3.04Å
426	K	85.4	Confident	91.2	Very high	154 Å²	154	53.6 Å²	53.6	67%	0.67	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	110.6	174.5	-172.1	177.8	177.6	-173.7	0	108.1	L431	K426-L431 HydrophobicContact CB-CD1 4.04Å
427	N	82.6	Confident	91	Very high	73 Å²	73	53.4 Å²	53.4	39%	0.39	27%	0.265	S	S	.	.			trans	-81.9	175.7	167.2	-162.7	-6.1	0	0	0	109.2	V425 F429 T430 E432	V425-N427 PolarHBondContact O-N 3.05Å; N427-F429 PolarHBondContact O-N 2.98Å; N427-T430 WeakPolarHBondContact CB-O 3.45Å; N427-T430 PolarHBondContact N-O 3.46Å; N427-E432 PolarHBondContact ND2-OE1 3.01Å
428	I	82.5	Confident	91	Very high	148 Å²	148	53.4 Å²	53.4	76%	0.759	27%	0.265	S	S	*	.	S	Bend	trans	-55.9	-34	179.5	-60.6	172.9	0	0	0	111.4
429	F	79.3	Confident	90.8	Very high	181 Å²	181	56.4 Å²	56.4	79%	0.794	28%	0.281	S	S	*	.	S	Bend	trans	-106	-40.7	-173	-58	-74.1	0	0	0	113.9	N427	N427-F429 PolarHBondContact O-N 2.98Å
430	T	84.5	Confident	90.7	Very high	83 Å²	83	57 Å²	57	51%	0.509	28%	0.283	S	S	.	.			trans	-144.5	155.5	-167.3	49.2	0	0	0	0	111.3	N427	N427-T430 WeakPolarHBondContact CB-O 3.45Å; N427-T430 PolarHBondContact N-O 3.46Å
431	L	88.2	Confident	90.6	Very high	66 Å²	66	59.9 Å²	59.9	35%	0.346	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	123.9	166.2	-170.4	63.2	0	0	0	108.2	F424 K426 P476	F424-L431 HydrophobicContact CB-CD1 4.11Å; F424-L431 HydrophobicContact CB-CG 4.45Å; F424-L431 HydrophobicContact CD1-CD2 4.47Å; K426-L431 HydrophobicContact CB-CD1 4.04Å; L431-P476 HydrophobicContact CB-CB 4.18Å; L431-P476 HydrophobicContact CD2-CB 4.15Å; L431-P476 WeakPolarHBondContact CD2-O 3.39Å; L431-P476 HydrophobicContact CG-CB 3.9Å; L431-P476 WeakPolarHBondContact O-CB 3.39Å; L431-P476 WeakPolarHBondContact O-CG 3.33Å
432	E	88.8	Confident	90.5	Very high	93 Å²	93	61.7 Å²	61.7	44%	0.435	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137.7	178.5	-68.7	172.2	-156.6	0	0	109.4	F424 V425 N427	F424-E432 WeakPolarHBondContact CA-O 3.47Å; V425-E432 PolarHBondContact N-O 3.43Å; V425-E432 PolarHBondContact O-N 3.04Å; N427-E432 PolarHBondContact ND2-OE1 3.01Å
433	K	92	Very high	90.4	Very high	34 Å²	34	63.1 Å²	63.1	15%	0.148	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.5	174.5	-175.9	-172.8	-178.8	-165.2	0	108.9	R423 F424 P435 H472 G474 P476 E515	R423-K433 HydrophobicContact CB-CG 4.45Å; R423-K433 CarbonylContact O-C 3.56Å; R423-K433 WeakPolarHBondContact O-CA 3.46Å; F424-K433 HydrophobicContact CD1-CB 4.14Å; F424-K433 HydrophobicContact CD1-CG 4.22Å; F424-K433 HydrophobicContact CE1-CB 3.98Å; F424-K433 HydrophobicContact CE1-CD 4.05Å; F424-K433 HydrophobicContact CE1-CG 3.74Å; F424-K433 HydrophobicContact CZ-CD 4.49Å; F424-K433 HydrophobicContact CZ-CG 4.37Å; K433-P435 VanDerWaalsContact O-CD 3.31Å; K433-P435 WeakPolarHBondContact O-CD 3.44Å; K433-H472 WeakPolarHBondContact CE-O 3.27Å; K433-H472 PolarHBondContact NZ-ND1 3.25Å; K433-H472 PolarHBondContact NZ-O 2.85Å; K433-G474 WeakPolarHBondContact CD-O 3.22Å; K433-G474 PolarHBondContact NZ-O 2.91Å; K433-P476 HydrophobicContact CB-CB 3.97Å; K433-P476 HydrophobicContact CB-CG 4.12Å; K433-E515 WeakPolarHBondContact CE-OE2 3.3Å; K433-E515 IonicContact NZ-OE1 2.69Å; K433-E515 IonicContact NZ-OE2 2.83Å; K433-E515 PolarHBondContact NZ-OE2 2.76Å
434	N	92.3	Very high	90.4	Very high	14 Å²	14	66.5 Å²	66.5	8%	0.075	34%	0.344	C	S	.	.			trans	-77.9	115.5	173.3	-169.8	-31.2	0	0	0	110.3	L362 P363 R423 T436	L362-N434 WeakPolarHBondContact CB-ND2 3.32Å; L362-N434 HydrophobicContact CD1-CB 4.19Å; P363-N434 PolarHBondContact O-ND2 3.22Å; R423-N434 PolarHBondContact NH1-O 3.21Å; R423-N434 WeakPolarHBondContact O-CB 3.27Å; R423-N434 PolarHBondContact O-N 3.07Å; N434-T436 VanDerWaalsContact C-N 3.27Å; N434-T436 PolarHBondContact O-N 3.49Å; N434-T436 WeakPolarHBondContact OD1-CB 3.46Å; N434-T436 PolarHBondContact OD1-N 3.4Å; N434-T436 PolarHBondContact OD1-OG1 2.87Å
435	P	91.7	Very high	90.5	Very high	45 Å²	45	66.3 Å²	66.3	29%	0.292	34%	0.344	S	S	.	.			trans	-84.4	4.8	-176.7	36.1	-36.5	0	0	0	113.8	K433 I437 E515	K433-P435 VanDerWaalsContact O-CD 3.31Å; K433-P435 WeakPolarHBondContact O-CD 3.44Å; P435-I437 PolarHBondContact O-N 3.14Å; P435-E515 VanDerWaalsContact CA-OE1 3.26Å; P435-E515 WeakPolarHBondContact CA-OE1 3.37Å; P435-E515 WeakPolarHBondContact CB-OE1 3.37Å
436	T	93.4	Very high	90.8	Very high	2 Å²	2	64.7 Å²	64.7	1%	0.012	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-59.9	124.9	-174.9	-57.3	0	0	0	0	112	P378 V380 R423 N434	P378-T436 HydrophobicContact CB-CG2 4.24Å; P378-T436 WeakPolarHBondContact CG-OG1 3.33Å; P378-T436 CarbonylContact O-C 3.47Å; P378-T436 VanDerWaalsContact O-CA 3.29Å; P378-T436 WeakPolarHBondContact O-CA 3.18Å; V380-T436 HydrophobicContact CB-CG2 4.03Å; V380-T436 HydrophobicContact CG1-CG2 3.71Å; R423-T436 PolarHBondContact NH1-O 3.3Å; R423-T436 PolarHBondContact NH2-O 3.17Å; N434-T436 VanDerWaalsContact C-N 3.27Å; N434-T436 PolarHBondContact O-N 3.49Å; N434-T436 WeakPolarHBondContact OD1-CB 3.46Å; N434-T436 PolarHBondContact OD1-N 3.4Å; N434-T436 PolarHBondContact OD1-OG1 2.87Å
437	I	94.7	Very high	91.2	Very high	14 Å²	14	57.4 Å²	57.4	7%	0.072	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	134.2	175.6	-60.9	-58.8	0	0	0	109.4	I377 P378 Q379 V380 P435 P512 L513 E515	I377-I437 HydrophobicContact CG2-CD1 4.48Å; I377-I437 HydrophobicContact CG2-CG1 3.66Å; P378-I437 PolarHBondContact O-N 3Å; Q379-I437 CarbonylContact C-O 3.58Å; Q379-I437 VanDerWaalsContact CA-O 3.31Å; Q379-I437 WeakPolarHBondContact CA-O 3.32Å; Q379-I437 HydrophobicContact CG-CB 4.36Å; V380-I437 PolarHBondContact N-O 3.2Å; P435-I437 PolarHBondContact O-N 3.14Å; I437-P512 WeakPolarHBondContact CG2-O 3.32Å; I437-L513 WeakPolarHBondContact CD1-O 3.46Å; I437-E515 HydrophobicContact CD1-CG 3.81Å
438	V	96	Very high	91.6	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	119.1	178.1	-173.2	0	0	0	0	108.2	L362 V380 L382 L385 M421 F440 T516	L362-V438 HydrophobicContact CD2-CG2 3.58Å; V380-V438 HydrophobicContact CG1-CG2 4.11Å; V380-V438 CarbonylContact O-C 3.55Å; V380-V438 WeakPolarHBondContact O-CA 3.24Å; L382-V438 HydrophobicContact CB-CG1 4.03Å; L382-V438 HydrophobicContact CD1-CG1 4.24Å; L385-V438 HydrophobicContact CD1-CB 4.48Å; L385-V438 HydrophobicContact CD1-CG1 3.7Å; L385-V438 HydrophobicContact CD1-CG2 3.88Å; M421-V438 HydrophobicContact CG-CG2 4.23Å; V438-F440 HydrophobicContact CB-CD1 4.12Å; V438-F440 HydrophobicContact CB-CE1 4.37Å; V438-F440 HydrophobicContact CG1-CD1 4.02Å; V438-F440 WeakPolarHBondContact O-CD1 3.14Å; V438-F440 WeakPolarHBondContact O-CE1 3.45Å; V438-T516 HydrophobicContact CB-CG2 3.85Å; V438-T516 HydrophobicContact CG2-CG2 3.92Å
439	N	95.4	Very high	91.9	Very high	63 Å²	63	53.8 Å²	53.8	34%	0.337	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	115.4	176.4	-66.6	-25.4	0	0	0	109.3	Q379 V380 L382	Q379-N439 PolarHBondContact OE1-ND2 3.02Å; V380-N439 PolarHBondContact O-N 3.33Å; L382-N439 PolarHBondContact N-O 3.09Å
440	F	95.9	Very high	92.5	Very high	12 Å²	12	46 Å²	46	5%	0.053	25%	0.245	C	C	.	.			trans	-139.4	140.8	179.4	50.2	-90.9	0	0	0	112.1	L382 V438 L466 I511 P512 T516 Q519 W521	L382-F440 HydrophobicContact CB-CB 3.86Å; L382-F440 HydrophobicContact CD2-CB 3.67Å; L382-F440 HydrophobicContact CG-CB 4.37Å; V438-F440 HydrophobicContact CB-CD1 4.12Å; V438-F440 HydrophobicContact CB-CE1 4.37Å; V438-F440 HydrophobicContact CG1-CD1 4.02Å; V438-F440 WeakPolarHBondContact O-CD1 3.14Å; V438-F440 WeakPolarHBondContact O-CE1 3.45Å; F440-L466 HydrophobicContact CD2-CD2 4.33Å; F440-L466 HydrophobicContact CE2-CD2 3.77Å; F440-I511 HydrophobicContact CE2-CG2 4.07Å; F440-I511 HydrophobicContact CZ-CG2 4.22Å; F440-P512 HydrophobicContact CD2-CB 4.46Å; F440-P512 HydrophobicContact CD2-CG 4.23Å; F440-P512 HydrophobicContact CE1-CB 4.26Å; F440-P512 HydrophobicContact CE2-CB 4.19Å; F440-P512 HydrophobicContact CE2-CG 3.96Å; F440-P512 HydrophobicContact CZ-CB 4.09Å; F440-P512 HydrophobicContact CZ-CG 4.31Å; F440-P512 WeakPolarHBondContact O-CG 3.39Å; F440-T516 HydrophobicContact CE1-CG2 3.81Å; F440-Q519 VanDerWaalsContact CD1-NE2 3.31Å; F440-W521 HydrophobicContact CB-CH2 4.45Å; F440-W521 HydrophobicContact CB-CZ2 4.47Å; F440-W521 HydrophobicContact CD2-CH2 4.17Å; F440-W521 HydrophobicContact CD2-CZ2 4.26Å
441	P	94.8	Very high	92.9	Very high	79 Å²	79	42.6 Å²	42.6	51%	0.513	22%	0.223	S	C	.	.			trans	-66.5	138	166.4	-9.5	19.8	0	0	0	111	K443 I445 W521	P441-K443 VanDerWaalsContact C-N 3.34Å; P441-K443 PolarHBondContact O-N 3.44Å; P441-I445 HydrophobicContact CB-CD1 4.31Å; P441-I445 HydrophobicContact CB-CG1 3.98Å; P441-I445 HydrophobicContact CG-CD1 4.03Å; P441-I445 HydrophobicContact CG-CG1 3.88Å; P441-I445 WeakPolarHBondContact O-CD1 3.5Å; P441-W521 WeakPolarHBondContact O-CH2 3.2Å; P441-W521 WeakPolarHBondContact O-CZ3 3.16Å
442	I	94.5	Very high	93	Very high	37 Å²	37	40.5 Å²	40.5	19%	0.19	22%	0.216	C	C	.	.	S	Bend	trans	-76	-18.8	177.8	56.3	170.3	0	0	0	114.4	L466 P508 P512	I442-L466 HydrophobicContact CG2-CD2 4.29Å; I442-L466 VanDerWaalsContact O-CB 3.29Å; I442-L466 WeakPolarHBondContact O-CB 3.26Å; I442-L466 PolarHBondContact O-N 3.49Å; I442-P508 HydrophobicContact CD1-CB 3.31Å; I442-P508 HydrophobicContact CD1-CG 4.44Å; I442-P512 HydrophobicContact CG2-CG 4.31Å
443	K	94.4	Very high	93.1	Very high	123 Å²	123	41.4 Å²	41.4	54%	0.535	23%	0.23	S	C	.	.	S	Bend	trans	-137.9	154.1	-175	-72.1	-175.7	179.4	-176.9	0	110.5	P441 I445 D465	P441-K443 VanDerWaalsContact C-N 3.34Å; P441-K443 PolarHBondContact O-N 3.44Å; K443-I445 PolarHBondContact O-N 3.49Å; K443-D465 WeakPolarHBondContact CA-OD1 3.46Å
444	S	92.3	Very high	93	Very high	71 Å²	71	44.7 Å²	44.7	50%	0.497	25%	0.245	S	C	.	.			trans	59	39.5	169.6	-53.3	0	0	0	0	115.4	T463 Y464 D465	S444-T463 VanDerWaalsContact CA-CG2 3.48Å; S444-Y464 PolarHBondContact N-O 3.38Å; S444-D465 PolarHBondContact N-OD1 3.44Å
445	I	94.6	Very high	92.9	Very high	23 Å²	23	45.3 Å²	45.3	12%	0.118	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	125.4	171.4	-59.6	-169.7	0	0	0	109.6	L382 P441 K443 F447 T463 Y464 W521	L382-I445 HydrophobicContact CD2-CD1 3.86Å; P441-I445 HydrophobicContact CB-CD1 4.31Å; P441-I445 HydrophobicContact CB-CG1 3.98Å; P441-I445 HydrophobicContact CG-CD1 4.03Å; P441-I445 HydrophobicContact CG-CG1 3.88Å; P441-I445 WeakPolarHBondContact O-CD1 3.5Å; K443-I445 PolarHBondContact O-N 3.49Å; I445-F447 HydrophobicContact CB-CD2 4.39Å; I445-F447 HydrophobicContact CB-CE2 4.02Å; I445-F447 HydrophobicContact CG2-CD2 3.93Å; I445-F447 HydrophobicContact CG2-CE2 3.7Å; I445-F447 HydrophobicContact CG2-CZ 4.19Å; I445-F447 PolarHBondContact O-N 3.41Å; I445-T463 CarbonylContact O-C 3.13Å; I445-T463 VanDerWaalsContact O-CA 3.28Å; I445-T463 WeakPolarHBondContact O-CA 3.46Å; I445-Y464 PolarHBondContact N-O 2.97Å; I445-Y464 PolarHBondContact O-N 2.95Å; I445-W521 HydrophobicContact CB-CZ3 4.41Å; I445-W521 HydrophobicContact CD1-CE3 4.24Å; I445-W521 HydrophobicContact CD1-CH2 3.23Å; I445-W521 HydrophobicContact CD1-CZ2 3.94Å; I445-W521 HydrophobicContact CD1-CZ3 3.38Å; I445-W521 HydrophobicContact CG1-CH2 4.15Å; I445-W521 HydrophobicContact CG1-CZ3 3.81Å
446	D	94	Very high	92.9	Very high	44 Å²	44	45.5 Å²	45.5	24%	0.235	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	107.3	171.7	-169.8	15.4	0	0	0	111.3	G448 R456 T462	D446-G448 WeakPolarHBondContact OD1-CA 3.38Å; D446-G448 PolarHBondContact OD1-N 2.73Å; D446-R456 IonicContact OD2-CZ 3.24Å; D446-R456 IonicContact OD2-NH2 2.71Å; D446-R456 PolarHBondContact OD2-NH2 2.82Å; D446-T462 WeakPolarHBondContact OD1-CB 3.29Å; D446-T462 PolarHBondContact OD1-OG1 3.13Å
447	F	94	Very high	92.9	Very high	1 Å²	1	46.4 Å²	46.4	0%	0.004	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-82.3	-4	171.8	-75.3	-92.6	0	0	0	112.2	L386 L413 L417 L419 I445 E449 L450 T462 Y464 W521	L386-F447 HydrophobicContact CD1-CD1 4.09Å; L386-F447 HydrophobicContact CD1-CE1 3.51Å; L386-F447 HydrophobicContact CD1-CZ 4.24Å; L386-F447 HydrophobicContact CD2-CE1 4.05Å; L386-F447 HydrophobicContact CG-CE1 4.45Å; L413-F447 HydrophobicContact CD1-CB 3.83Å; L413-F447 HydrophobicContact CD2-CB 4.49Å; L417-F447 HydrophobicContact CD2-CD1 3.57Å; L417-F447 HydrophobicContact CD2-CD2 4.49Å; L417-F447 HydrophobicContact CD2-CE1 3.52Å; L417-F447 HydrophobicContact CD2-CE2 4.44Å; L417-F447 HydrophobicContact CD2-CG 4.08Å; L417-F447 HydrophobicContact CD2-CZ 3.98Å; L419-F447 HydrophobicContact CD1-CE1 4.2Å; L419-F447 HydrophobicContact CD1-CZ 4.14Å; I445-F447 HydrophobicContact CB-CD2 4.39Å; I445-F447 HydrophobicContact CB-CE2 4.02Å; I445-F447 HydrophobicContact CG2-CD2 3.93Å; I445-F447 HydrophobicContact CG2-CE2 3.7Å; I445-F447 HydrophobicContact CG2-CZ 4.19Å; I445-F447 PolarHBondContact O-N 3.41Å; F447-E449 PolarHBondContact O-N 3.05Å; F447-L450 HydrophobicContact CD1-CD1 3.8Å; F447-L450 WeakPolarHBondContact O-CB 3.1Å; F447-L450 PolarHBondContact O-N 2.95Å; F447-T462 PolarHBondContact N-O 3.38Å; F447-Y464 HydrophobicContact CB-CD2 4.14Å; F447-Y464 HydrophobicContact CB-CE2 4.19Å; F447-Y464 AromaticContact CD2-CD2 3.47Å; F447-Y464 HydrophobicContact CD2-CD2 3.47Å; F447-Y464 VanDerWaalsContact CD2-CD2 3.47Å; F447-Y464 HydrophobicContact CD2-CE2 4.27Å; F447-Y464 AromaticContact CD2-CG 3.76Å; F447-Y464 HydrophobicContact CD2-CG 3.76Å; F447-Y464 HydrophobicContact CE2-CD2 4.28Å; F447-Y464 HydrophobicContact CE2-CG 4.11Å; F447-Y464 HydrophobicContact CG-CD2 4.16Å; F447-W521 HydrophobicContact CE2-CB 4.44Å; F447-W521 HydrophobicContact CE2-CD2 4.17Å; F447-W521 HydrophobicContact CE2-CE3 4.3Å; F447-W521 HydrophobicContact CE2-CG 4.23Å; F447-W521 HydrophobicContact CZ-CD2 4.2Å; F447-W521 HydrophobicContact CZ-CG 4.17Å
448	G	90.3	Very high	92.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-63.7	-26.1	180	0	0	0	0	0	113.7	D446 L450 L451 R456	D446-G448 WeakPolarHBondContact OD1-CA 3.38Å; D446-G448 PolarHBondContact OD1-N 2.73Å; G448-L450 PolarHBondContact O-N 3.34Å; G448-L451 WeakPolarHBondContact O-CB 3.45Å; G448-L451 PolarHBondContact O-N 3.24Å; G448-L451 VanDerWaalsContact O-N 3.15Å; G448-R456 WeakPolarHBondContact O-CD 3.38Å
449	E	89.7	Confident	92.5	Very high	145 Å²	145	53.8 Å²	53.8	68%	0.678	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-66.7	-20.1	176.2	-62	-174.3	170	0	0	113.4	F447 L451	F447-E449 PolarHBondContact O-N 3.05Å; E449-L451 VanDerWaalsContact C-N 3.32Å
450	L	91.6	Very high	92.3	Very high	18 Å²	18	58 Å²	58	9%	0.094	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-82.6	-11.2	176	-54.5	177.9	0	0	0	112.9	L386 L410 F447 G448	L386-L450 HydrophobicContact CB-CD1 3.94Å; L386-L450 HydrophobicContact CB-CD2 3.97Å; L386-L450 HydrophobicContact CD1-CD1 4.24Å; L386-L450 HydrophobicContact CD2-CD1 4.16Å; L386-L450 HydrophobicContact CG-CD1 4.34Å; L386-L450 WeakPolarHBondContact O-CD2 3.4Å; L410-L450 HydrophobicContact CD1-CB 3.83Å; L410-L450 HydrophobicContact CD1-CD1 3.98Å; F447-L450 HydrophobicContact CD1-CD1 3.8Å; F447-L450 WeakPolarHBondContact O-CB 3.1Å; F447-L450 PolarHBondContact O-N 2.95Å; G448-L450 PolarHBondContact O-N 3.34Å
451	L	93.4	Very high	92.3	Very high	10 Å²	10	60.1 Å²	60.1	5%	0.052	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-93.1	140.2	178.5	-65.2	171.5	0	0	0	109.7	L410 L413 G448 E449 F455 R456 T462	L410-L451 HydrophobicContact CB-CD2 3.66Å; L410-L451 VanDerWaalsContact O-CD2 3.26Å; L410-L451 WeakPolarHBondContact O-CD2 3.03Å; L413-L451 HydrophobicContact CD1-CD1 3.79Å; L413-L451 HydrophobicContact CD1-CG 4.28Å; L413-L451 HydrophobicContact CG-CD1 4.05Å; L413-L451 HydrophobicContact CG-CD2 4.23Å; L413-L451 HydrophobicContact CG-CG 4.32Å; G448-L451 WeakPolarHBondContact O-CB 3.45Å; G448-L451 PolarHBondContact O-N 3.24Å; G448-L451 VanDerWaalsContact O-N 3.15Å; E449-L451 VanDerWaalsContact C-N 3.32Å; L451-F455 HydrophobicContact CB-CB 4.32Å; L451-F455 HydrophobicContact CD2-CB 4.25Å; L451-R456 HydrophobicContact CB-CB 4.12Å; L451-T462 HydrophobicContact CD1-CG2 4.44Å
452	A	90	Very high	92.3	Very high	23 Å²	23	56.4 Å²	56.4	19%	0.19	28%	0.277	C	S	.	.			trans	-58.8	150.3	166.7	0	0	0	0	0	110.3	E454 F455 R456	A452-E454 HydrophobicContact CB-CG 4.12Å; A452-E454 PolarHBondContact O-N 3.11Å; A452-F455 HydrophobicContact CB-CD2 4.06Å; A452-F455 HydrophobicContact CB-CE2 4.46Å; A452-F455 PolarHBondContact O-N 3.25Å; A452-R456 PolarHBondContact O-N 2.97Å
453	P	89.4	Confident	92.4	Very high	112 Å²	112	55.2 Å²	55.2	73%	0.727	27%	0.271	S	S	*	.	H	α-helix	trans	-51.4	-38	-175.3	-29.1	35.2	0	0	0	113.8	F455 R456 A457	P453-F455 VanDerWaalsContact C-N 3.35Å; P453-F455 PolarHBondContact O-N 2.78Å; P453-R456 PolarHBondContact O-N 3.43Å; P453-A457 WeakPolarHBondContact O-CB 3.42Å; P453-A457 PolarHBondContact O-N 2.91Å
454	E	91.2	Very high	92.5	Very high	103 Å²	103	49.5 Å²	49.5	48%	0.481	25%	0.247	S	C	.	.	H	α-helix	trans	-62.8	-32.4	177.3	54.3	166.8	-175.7	0	0	114.4	R411 A452 K458	R411-E454 IonicContact CZ-OE1 3.55Å; R411-E454 IonicContact NH1-OE1 2.87Å; R411-E454 PolarHBondContact NH1-OE1 2.98Å; R411-E454 VanDerWaalsContact NH1-OE1 3.09Å; A452-E454 HydrophobicContact CB-CG 4.12Å; A452-E454 PolarHBondContact O-N 3.11Å; E454-K458 WeakPolarHBondContact O-CE 3.38Å
455	F	90.7	Very high	92.8	Very high	26 Å²	26	47.9 Å²	47.9	11%	0.114	23%	0.232	C	C	.	.	H	α-helix	trans	-89.6	-34.9	175.5	-61.6	-67.7	0	0	0	112	R411 L451 A452 P453 A457 K458 H459	R411-F455 HydrophobicContact CB-CD1 4.45Å; R411-F455 HydrophobicContact CG-CE2 4.48Å; R411-F455 VanDerWaalsContact CZ-CE2 3.42Å; R411-F455 WeakPolarHBondContact O-CD1 3.31Å; R411-F455 WeakPolarHBondContact O-CG 3.25Å; L451-F455 HydrophobicContact CB-CB 4.32Å; L451-F455 HydrophobicContact CD2-CB 4.25Å; A452-F455 HydrophobicContact CB-CD2 4.06Å; A452-F455 HydrophobicContact CB-CE2 4.46Å; A452-F455 PolarHBondContact O-N 3.25Å; P453-F455 VanDerWaalsContact C-N 3.35Å; P453-F455 PolarHBondContact O-N 2.78Å; F455-A457 PolarHBondContact O-N 3.19Å; F455-K458 HydrophobicContact CD1-CD 4.32Å; F455-K458 WeakPolarHBondContact O-CB 3.41Å; F455-K458 PolarHBondContact O-N 3.37Å; F455-H459 PolarHBondContact O-N 3.16Å; F455-H459 PolarHBondContact O-ND1 3.02Å
456	R	91.5	Very high	92.9	Very high	49 Å²	49	47 Å²	47	19%	0.185	23%	0.228	C	C	.	.	H	α-helix	trans	-56.4	-42.7	175	-168.5	179.5	-178.2	166.5	2	109.9	D446 G448 L451 A452 P453 K458 H459 N529	D446-R456 IonicContact OD2-CZ 3.24Å; D446-R456 IonicContact OD2-NH2 2.71Å; D446-R456 PolarHBondContact OD2-NH2 2.82Å; G448-R456 WeakPolarHBondContact O-CD 3.38Å; L451-R456 HydrophobicContact CB-CB 4.12Å; A452-R456 PolarHBondContact O-N 2.97Å; P453-R456 PolarHBondContact O-N 3.43Å; R456-K458 PolarHBondContact O-N 2.96Å; R456-H459 PolarHBondContact O-N 3.32Å; R456-H459 VanDerWaalsContact O-N 3.1Å; R456-N529 PolarHBondContact O-ND2 2.9Å
457	A	91.9	Very high	93.1	Very high	21 Å²	21	45.1 Å²	45.1	17%	0.174	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.2	177.2	0	0	0	0	0	114.8	P453 F455 S531 F532 V533	P453-A457 WeakPolarHBondContact O-CB 3.42Å; P453-A457 PolarHBondContact O-N 2.91Å; F455-A457 PolarHBondContact O-N 3.19Å; A457-S531 VanDerWaalsContact CA-O 3.25Å; A457-S531 WeakPolarHBondContact CA-O 3.2Å; A457-S531 WeakPolarHBondContact CB-O 3.34Å; A457-F532 WeakPolarHBondContact O-CA 3.49Å; A457-F532 VanDerWaalsContact O-CD2 3.25Å; A457-F532 WeakPolarHBondContact O-CD2 3.18Å; A457-V533 HydrophobicContact CB-CB 4.43Å; A457-V533 HydrophobicContact CB-CG2 4.1Å; A457-V533 PolarHBondContact O-N 3.36Å
458	K	91.5	Very high	93.3	Very high	140 Å²	140	45.1 Å²	45.1	61%	0.609	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-16.3	178.4	-64.6	172.3	-175.5	169.8	0	113.4	E454 F455 R456	E454-K458 WeakPolarHBondContact O-CE 3.38Å; F455-K458 HydrophobicContact CD1-CD 4.32Å; F455-K458 WeakPolarHBondContact O-CB 3.41Å; F455-K458 PolarHBondContact O-N 3.37Å; R456-K458 PolarHBondContact O-N 2.96Å
459	H	90.8	Very high	93.7	Very high	29 Å²	29	45.1 Å²	45.1	13%	0.134	22%	0.218	C	C	.	.			trans	-96.8	116.6	-177.7	-68.8	79	0	0	0	110.5	L413 F455 R456 Y461 T462 N529	L413-H459 PolarHBondContact N-NE2 3.18Å; L413-H459 VanDerWaalsContact N-NE2 3.11Å; F455-H459 PolarHBondContact O-N 3.16Å; F455-H459 PolarHBondContact O-ND1 3.02Å; R456-H459 PolarHBondContact O-N 3.32Å; R456-H459 VanDerWaalsContact O-N 3.1Å; H459-Y461 PolarHBondContact O-N 2.92Å; H459-T462 HydrophobicContact CB-CG2 3.76Å; H459-N529 WeakPolarHBondContact O-CB 3.49Å; H459-N529 PolarHBondContact O-ND2 3.19Å
460	R	92.2	Very high	94.1	Very high	153 Å²	153	38.2 Å²	38.2	58%	0.577	19%	0.185	S	C	*	.	S	Bend	trans	-64.1	-28.8	176.5	-171.9	174.9	177.6	-176.2	-0.5	113.3	N529 F532	R460-N529 WeakPolarHBondContact O-CB 3.5Å; R460-N529 PolarHBondContact O-N 2.99Å; R460-F532 VanDerWaalsContact CA-CD2 3.47Å; R460-F532 HydrophobicContact CB-CD2 4.05Å; R460-F532 HydrophobicContact CB-CE2 3.97Å; R460-F532 HydrophobicContact CB-CG 4.38Å; R460-F532 HydrophobicContact CB-CZ 4.23Å; R460-F532 HydrophobicContact CG-CD1 4.43Å; R460-F532 HydrophobicContact CG-CE1 4.4Å
461	Y	95	Very high	94.3	Very high	56 Å²	56	37.3 Å²	37.3	22%	0.22	18%	0.181	C	C	.	.			trans	-138.7	132.1	-178.1	-50.9	-74.2	0	0	0	109.3	H459 V523 K525 I527	H459-Y461 PolarHBondContact O-N 2.92Å; Y461-V523 VanDerWaalsContact CB-CG2 3.49Å; Y461-K525 HydrophobicContact CD2-CG 4.3Å; Y461-K525 HydrophobicContact CE1-CB 4.34Å; Y461-K525 WeakPolarHBondContact CE1-O 3.48Å; Y461-K525 HydrophobicContact CE2-CB 4.44Å; Y461-K525 HydrophobicContact CE2-CG 4.3Å; Y461-I527 WeakPolarHBondContact CD1-O 3.24Å
462	T	95	Very high	94.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.181	C	C	.	.			trans	-131.4	-5	179.9	56.1	0	0	0	0	113.3	D446 F447 L451 H459 Y464 N529	D446-T462 WeakPolarHBondContact OD1-CB 3.29Å; D446-T462 PolarHBondContact OD1-OG1 3.13Å; F447-T462 PolarHBondContact N-O 3.38Å; L451-T462 HydrophobicContact CD1-CG2 4.44Å; H459-T462 HydrophobicContact CB-CG2 3.76Å; T462-Y464 WeakPolarHBondContact O-CD2 3.19Å; T462-Y464 WeakPolarHBondContact O-CE2 3.34Å; T462-N529 HydrophobicContact CG2-CB 4.17Å
463	T	96.6	Very high	94.6	Very high	12 Å²	12	38 Å²	38	7%	0.074	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	138.9	175.8	-50.4	0	0	0	0	110.9	S444 I445 N524 I527	S444-T463 VanDerWaalsContact CA-CG2 3.48Å; I445-T463 CarbonylContact O-C 3.13Å; I445-T463 VanDerWaalsContact O-CA 3.28Å; I445-T463 WeakPolarHBondContact O-CA 3.46Å; T463-N524 PolarHBondContact O-N 2.95Å; T463-I527 HydrophobicContact CG2-CB 4.41Å; T463-I527 HydrophobicContact CG2-CD1 3.78Å; T463-I527 HydrophobicContact CG2-CG2 4.42Å
464	Y	97.4	Very high	94.7	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.016	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	150.9	-177.5	-68.9	-113.1	0	0	0	112.1	L413 P414 L417 S444 I445 F447 T462 W521 A522 V523	L413-Y464 WeakPolarHBondContact CB-OH 2.94Å; L413-Y464 HydrophobicContact CD1-CE2 4.1Å; P414-Y464 WeakPolarHBondContact O-CE1 3.44Å; P414-Y464 PolarHBondContact O-OH 2.85Å; L417-Y464 HydrophobicContact CB-CD1 4.36Å; L417-Y464 HydrophobicContact CB-CE1 4.1Å; S444-Y464 PolarHBondContact N-O 3.38Å; I445-Y464 PolarHBondContact N-O 2.97Å; I445-Y464 PolarHBondContact O-N 2.95Å; F447-Y464 HydrophobicContact CB-CD2 4.14Å; F447-Y464 HydrophobicContact CB-CE2 4.19Å; F447-Y464 AromaticContact CD2-CD2 3.47Å; F447-Y464 HydrophobicContact CD2-CD2 3.47Å; F447-Y464 VanDerWaalsContact CD2-CD2 3.47Å; F447-Y464 HydrophobicContact CD2-CE2 4.27Å; F447-Y464 AromaticContact CD2-CG 3.76Å; F447-Y464 HydrophobicContact CD2-CG 3.76Å; F447-Y464 HydrophobicContact CE2-CD2 4.28Å; F447-Y464 HydrophobicContact CE2-CG 4.11Å; F447-Y464 HydrophobicContact CG-CD2 4.16Å; T462-Y464 WeakPolarHBondContact O-CD2 3.19Å; T462-Y464 WeakPolarHBondContact O-CE2 3.34Å; Y464-W521 HydrophobicContact CD1-CB 3.95Å; Y464-W521 HydrophobicContact CG-CB 4.34Å; Y464-A522 CarbonylContact C-O 3.5Å; Y464-A522 WeakPolarHBondContact CA-O 3.09Å; Y464-V523 HydrophobicContact CD1-CB 4.22Å; Y464-V523 VanDerWaalsContact CD1-N 3.31Å; Y464-V523 HydrophobicContact CE1-CB 3.81Å; Y464-V523 HydrophobicContact CE2-CB 4.43Å; Y464-V523 HydrophobicContact CE2-CG2 4.29Å
465	D	97.4	Very high	94.6	Very high	37 Å²	37	32.8 Å²	32.8	20%	0.198	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	143	172.8	-62.6	-35	0	0	0	110.4	K443 S444 W521 A522 N524	K443-D465 WeakPolarHBondContact CA-OD1 3.46Å; S444-D465 PolarHBondContact N-OD1 3.44Å; D465-W521 CarbonylContact O-C 3.57Å; D465-W521 WeakPolarHBondContact O-CA 3.16Å; D465-A522 PolarHBondContact N-O 3.29Å; D465-A522 PolarHBondContact O-N 3.22Å; D465-N524 PolarHBondContact OD2-ND2 3.16Å
466	L	97.9	Very high	94.3	Very high	5 Å²	5	33 Å²	33	3%	0.026	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	133.8	176	-170.8	69.8	0	0	0	109.5	F440 I442 A468 N469 W495 I511 Q519 W521	F440-L466 HydrophobicContact CD2-CD2 4.33Å; F440-L466 HydrophobicContact CE2-CD2 3.77Å; I442-L466 HydrophobicContact CG2-CD2 4.29Å; I442-L466 VanDerWaalsContact O-CB 3.29Å; I442-L466 WeakPolarHBondContact O-CB 3.26Å; I442-L466 PolarHBondContact O-N 3.49Å; L466-A468 WeakPolarHBondContact CD1-O 3.23Å; L466-N469 HydrophobicContact CD2-CB 4.25Å; L466-W495 HydrophobicContact CB-CH2 3.95Å; L466-W495 HydrophobicContact CB-CZ2 4.27Å; L466-W495 HydrophobicContact CD2-CH2 3.74Å; L466-W495 HydrophobicContact CD2-CZ2 4.37Å; L466-W495 HydrophobicContact CD2-CZ3 4.38Å; L466-W495 HydrophobicContact CG-CH2 3.69Å; L466-W495 HydrophobicContact CG-CZ2 4.44Å; L466-W495 WeakPolarHBondContact O-CH2 3.39Å; L466-W495 WeakPolarHBondContact O-CZ2 3.46Å; L466-I511 HydrophobicContact CD2-CG2 3.97Å; L466-Q519 HydrophobicContact CD1-CB 3.86Å; L466-Q519 HydrophobicContact CD1-CG 4.13Å; L466-W521 HydrophobicContact CB-CD2 4.41Å; L466-W521 HydrophobicContact CB-CE3 3.96Å; L466-W521 HydrophobicContact CB-CH2 3.87Å; L466-W521 HydrophobicContact CB-CZ2 4.38Å; L466-W521 HydrophobicContact CB-CZ3 3.67Å; L466-W521 HydrophobicContact CD1-CD2 3.97Å; L466-W521 HydrophobicContact CD1-CE3 4.37Å; L466-W521 HydrophobicContact CD1-CH2 4Å; L466-W521 HydrophobicContact CD1-CZ2 3.63Å; L466-W521 HydrophobicContact CD1-CZ3 4.38Å; L466-W521 HydrophobicContact CG-CH2 4.38Å; L466-W521 HydrophobicContact CG-CZ2 4.47Å
467	V	97.4	Very high	93.9	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.024	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-40.3	178.9	-179.8	0	0	0	0	111.6	H203 Y416 V488 V520 A522	H203-V467 HydrophobicContact CB-CG1 4.39Å; Y416-V467 HydrophobicContact CE1-CG2 4.44Å; V467-V488 HydrophobicContact CB-CG1 4.28Å; V467-V488 HydrophobicContact CG1-CG1 4.03Å; V467-V488 WeakPolarHBondContact O-CG1 3.01Å; V467-V488 PolarHBondContact O-N 3.22Å; V467-V520 PolarHBondContact N-O 3.2Å; V467-A522 HydrophobicContact CG2-CB 3.44Å; V467-A522 VanDerWaalsContact CG2-CB 3.44Å
468	A	98.1	Very high	93.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	143.5	-177.2	0	0	0	0	0	110.7	M200 L466 I485 H486 L487 Q519 V520	M200-A468 HydrophobicContact CG-CB 3.85Å; L466-A468 WeakPolarHBondContact CD1-O 3.23Å; A468-I485 HydrophobicContact CB-CD1 4.27Å; A468-H486 CarbonylContact C-O 3.45Å; A468-H486 VanDerWaalsContact CA-O 3.29Å; A468-H486 WeakPolarHBondContact CA-O 3.39Å; A468-L487 HydrophobicContact CB-CD2 3.61Å; A468-Q519 CarbonylContact O-C 3.46Å; A468-Q519 WeakPolarHBondContact O-CA 3.35Å; A468-V520 HydrophobicContact CB-CB 4.09Å; A468-V520 HydrophobicContact CB-CG2 4.21Å; A468-V520 PolarHBondContact N-O 2.81Å; A468-V520 PolarHBondContact O-N 3.32Å
469	N	98.3	Very high	92.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	102.2	177	175.8	82.3	0	0	0	109.7	L466 V471 I485 H486 I511 S514 T516 I518 Q519	L466-N469 HydrophobicContact CD2-CB 4.25Å; N469-V471 VanDerWaalsContact ND2-CG2 3.25Å; N469-V471 WeakPolarHBondContact ND2-CG2 3.42Å; N469-I485 WeakPolarHBondContact O-CA 3.42Å; N469-H486 HydrophobicContact CB-CB 4.24Å; N469-H486 PolarHBondContact N-O 3.47Å; N469-H486 PolarHBondContact ND2-ND1 3.22Å; N469-H486 PolarHBondContact O-N 2.85Å; N469-I511 HydrophobicContact CB-CG2 4.02Å; N469-S514 PolarHBondContact ND2-OG 3.4Å; N469-T516 WeakPolarHBondContact OD1-CB 3.38Å; N469-T516 PolarHBondContact OD1-OG1 2.85Å; N469-I518 CarbonylContact C-O 3.5Å; N469-I518 WeakPolarHBondContact CA-O 3.41Å; N469-Q519 PolarHBondContact OD1-NE2 2.97Å
470	V	98.3	Very high	92.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	134.2	173.2	-178.6	0	0	0	0	108.9	V196 M200 I485 L517 I518	V196-V470 HydrophobicContact CB-CG1 3.98Å; V196-V470 HydrophobicContact CB-CG2 4.29Å; V196-V470 HydrophobicContact CG2-CG1 3.62Å; V196-V470 HydrophobicContact CG2-CG2 4.46Å; M200-V470 HydrophobicContact CB-CG2 4.43Å; M200-V470 HydrophobicContact SD-CG2 4Å; V470-I485 HydrophobicContact CG2-CD1 3.92Å; V470-I485 HydrophobicContact CG2-CG1 4.07Å; V470-L517 PolarHBondContact O-N 3.09Å; V470-I518 HydrophobicContact CB-CB 4.01Å; V470-I518 HydrophobicContact CG2-CB 4.18Å; V470-I518 PolarHBondContact N-O 2.9Å; V470-I518 PolarHBondContact O-N 3.17Å
471	V	97.4	Very high	92.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.4	179.3	-177.1	0	0	0	0	108.1	N469 H483 R484 S514	N469-V471 VanDerWaalsContact ND2-CG2 3.25Å; N469-V471 WeakPolarHBondContact ND2-CG2 3.42Å; V471-H483 WeakPolarHBondContact O-CA 3.48Å; V471-R484 HydrophobicContact CB-CG 3.95Å; V471-R484 PolarHBondContact N-O 2.86Å; V471-R484 PolarHBondContact O-N 2.9Å; V471-S514 WeakPolarHBondContact CG2-OG 3.43Å
472	H	95.2	Very high	92.3	Very high	10 Å²	10	28.4 Å²	28.4	5%	0.046	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	119.3	168.1	172.9	-64.9	0	0	0	108.4	F424 K433 P475 H483 L517	F424-H472 HydrophobicContact CZ-CB 4.3Å; F424-H472 AromaticContact CZ-CD2 3.58Å; F424-H472 AromaticContact CZ-CE1 3.76Å; F424-H472 AromaticContact CZ-CG 3.64Å; F424-H472 AromaticContact CZ-ND1 3.74Å; F424-H472 AromaticContact CZ-NE2 3.65Å; K433-H472 WeakPolarHBondContact CE-O 3.27Å; K433-H472 PolarHBondContact NZ-ND1 3.25Å; K433-H472 PolarHBondContact NZ-O 2.85Å; H472-P475 PolarHBondContact CE1-O 3.29Å; H472-H483 AromaticContact CD2-CE1 3.57Å; H472-H483 AromaticContact CD2-NE2 3.48Å; H472-H483 PolarHBondContact CD2-NE2 3.35Å; H472-L517 HydrophobicContact CB-CD2 4.14Å
473	D	93.2	Very high	92.4	Very high	37 Å²	37	28.8 Å²	28.8	20%	0.198	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	152.9	174.2	-54.1	-79.7	0	0	0	110.1	G481 T482 R484	D473-G481 CarbonylContact O-C 3.07Å; D473-G481 VanDerWaalsContact O-CA 3.23Å; D473-G481 WeakPolarHBondContact O-CA 3.19Å; D473-T482 PolarHBondContact N-O 3.25Å; D473-T482 PolarHBondContact O-N 3.4Å; D473-R484 IonicContact OD1-CZ 2.74Å; D473-R484 IonicContact OD1-NE 3.64Å; D473-R484 IonicContact OD1-NH2 3.65Å; D473-R484 PolarHBondContact OD1-NH2 3.39Å; D473-R484 WeakPolarHBondContact OD2-CD 3.28Å; D473-R484 WeakPolarHBondContact OD2-CG 3.42Å; D473-R484 IonicContact OD2-CZ 3.38Å; D473-R484 IonicContact OD2-NE 3.82Å; D473-R484 PolarHBondContact OD2-NE 3.27Å; D473-R484 IonicContact OD2-NH2 2.74Å
474	G	91.1	Very high	92.4	Very high	40 Å²	40	30.3 Å²	30.3	41%	0.412	20%	0.201	S	C	.	.	S	Bend	trans	89.7	-175.2	178.5	0	0	0	0	0	115.2	K433	K433-G474 WeakPolarHBondContact CD-O 3.22Å; K433-G474 PolarHBondContact NZ-O 2.91Å
475	P	89	Confident	92.5	Very high	65 Å²	65	30.1 Å²	30.1	42%	0.422	20%	0.201	S	C	.	.			trans	-69.8	159.5	-171.5	-5	18.8	0	0	0	112.3	H472 T477 S480	H472-P475 PolarHBondContact CE1-O 3.29Å; P475-T477 PolarHBondContact O-N 2.76Å; P475-S480 WeakPolarHBondContact CB-OG 2.98Å; P475-S480 WeakPolarHBondContact CG-OG 3.22Å
476	P	85.4	Confident	92.5	Very high	31 Å²	31	28.5 Å²	28.5	20%	0.201	19%	0.192	C	C	.	.	S	Bend	trans	-66.6	-14.8	172.7	25.5	-32	0	0	0	113.8	F424 L431 K433 P478	F424-P476 HydrophobicContact CD1-CB 3.97Å; F424-P476 HydrophobicContact CE1-CB 4.13Å; L431-P476 HydrophobicContact CB-CB 4.18Å; L431-P476 HydrophobicContact CD2-CB 4.15Å; L431-P476 WeakPolarHBondContact CD2-O 3.39Å; L431-P476 HydrophobicContact CG-CB 3.9Å; L431-P476 WeakPolarHBondContact O-CB 3.39Å; L431-P476 WeakPolarHBondContact O-CG 3.33Å; K433-P476 HydrophobicContact CB-CB 3.97Å; K433-P476 HydrophobicContact CB-CG 4.12Å; P476-P478 WeakPolarHBondContact O-CD 3.12Å
477	T	83.6	Confident	92.5	Very high	88 Å²	88	28.2 Å²	28.2	54%	0.54	19%	0.19	S	C	.	.	S	Bend	trans	-60.3	125.3	-176.3	-49.6	0	0	0	0	110	P475 G479 S480	P475-T477 PolarHBondContact O-N 2.76Å; T477-G479 PolarHBondContact O-N 2.89Å; T477-S480 WeakPolarHBondContact CB-OG 3.31Å; T477-S480 WeakPolarHBondContact O-CB 3.31Å; T477-S480 PolarHBondContact O-N 3.26Å; T477-S480 PolarHBondContact O-OG 3.04Å
478	P	77.9	Confident	92.5	Very high	97 Å²	97	28.9 Å²	28.9	63%	0.63	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	130.4	179.7	-28	34.7	0	0	0	111.8	P476 S480	P476-P478 WeakPolarHBondContact O-CD 3.12Å; P478-S480 VanDerWaalsContact C-N 3.29Å; P478-S480 PolarHBondContact O-N 3.11Å
479	G	78.8	Confident	92.4	Very high	55 Å²	55	29.1 Å²	29.1	57%	0.567	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.4	-5.4	-179.7	0	0	0	0	0	115.9	T477	T477-G479 PolarHBondContact O-N 2.89Å
480	S	85.8	Confident	92.1	Very high	53 Å²	53	33.5 Å²	33.5	37%	0.371	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-22.8	178.4	74.1	0	0	0	0	114.1	P475 T477 P478	P475-S480 WeakPolarHBondContact CB-OG 2.98Å; P475-S480 WeakPolarHBondContact CG-OG 3.22Å; T477-S480 WeakPolarHBondContact CB-OG 3.31Å; T477-S480 WeakPolarHBondContact O-CB 3.31Å; T477-S480 PolarHBondContact O-N 3.26Å; T477-S480 PolarHBondContact O-OG 3.04Å; P478-S480 VanDerWaalsContact C-N 3.29Å; P478-S480 PolarHBondContact O-N 3.11Å
481	G	90.7	Very high	91.8	Very high	3 Å²	3	34.5 Å²	34.5	3%	0.031	22%	0.222	C	C	.	.			trans	-83.8	158.6	176.6	0	0	0	0	0	112	Q274 D473	Q274-G481 PolarHBondContact NE2-O 3.17Å; Q274-G481 PolarHBondContact OE1-O 3.49Å; D473-G481 CarbonylContact O-C 3.07Å; D473-G481 VanDerWaalsContact O-CA 3.23Å; D473-G481 WeakPolarHBondContact O-CA 3.19Å
482	T	94.3	Very high	91.6	Very high	56 Å²	56	36.5 Å²	36.5	34%	0.344	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	141	175.6	57.7	0	0	0	0	110.5	D192 D473	D192-T482 WeakPolarHBondContact OD2-CA 3.27Å; D473-T482 PolarHBondContact N-O 3.25Å; D473-T482 PolarHBondContact O-N 3.4Å
483	H	96.1	Very high	91.6	Very high	7 Å²	7	37.8 Å²	37.8	3%	0.032	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	136.2	175.6	-62.6	78.7	0	0	0	111.3	D192 V196 Q274 V471 H472	D192-H483 HydrophobicContact CB-CB 4.38Å; D192-H483 IonicContact OD1-ND1 3.31Å; D192-H483 IonicContact OD2-CG 2.77Å; D192-H483 PolarHBondContact OD2-N 3.47Å; D192-H483 IonicContact OD2-ND1 2.75Å; D192-H483 PolarHBondContact OD2-ND1 3.16Å; V196-H483 HydrophobicContact CB-CB 4.49Å; V196-H483 HydrophobicContact CG1-CB 3.75Å; V196-H483 HydrophobicContact CG2-CB 3.9Å; Q274-H483 PolarHBondContact NE2-ND1 3.23Å; V471-H483 WeakPolarHBondContact O-CA 3.48Å; H472-H483 AromaticContact CD2-CE1 3.57Å; H472-H483 AromaticContact CD2-NE2 3.48Å; H472-H483 PolarHBondContact CD2-NE2 3.35Å
484	R	97.2	Very high	91.7	Very high	44 Å²	44	39.8 Å²	39.8	17%	0.166	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	164.1	168.1	63.6	178.3	164.9	123.4	0.6	110.2	V471 D473 H486 E497 L498 Q499	V471-R484 HydrophobicContact CB-CG 3.95Å; V471-R484 PolarHBondContact N-O 2.86Å; V471-R484 PolarHBondContact O-N 2.9Å; D473-R484 IonicContact OD1-CZ 2.74Å; D473-R484 IonicContact OD1-NE 3.64Å; D473-R484 IonicContact OD1-NH2 3.65Å; D473-R484 PolarHBondContact OD1-NH2 3.39Å; D473-R484 WeakPolarHBondContact OD2-CD 3.28Å; D473-R484 WeakPolarHBondContact OD2-CG 3.42Å; D473-R484 IonicContact OD2-CZ 3.38Å; D473-R484 IonicContact OD2-NE 3.82Å; D473-R484 PolarHBondContact OD2-NE 3.27Å; D473-R484 IonicContact OD2-NH2 2.74Å; R484-H486 PolarHBondContact NH1-NE2 3.3Å; R484-E497 IonicContact CZ-OE2 3.84Å; R484-E497 IonicContact NH1-OE2 3.65Å; R484-E497 PolarHBondContact NH1-OE2 3.3Å; R484-L498 CarbonylContact C-O 3.57Å; R484-L498 WeakPolarHBondContact CA-O 3.49Å; R484-L498 WeakPolarHBondContact CB-O 3.2Å; R484-Q499 HydrophobicContact CB-CB 3.91Å; R484-Q499 HydrophobicContact CB-CG 4.18Å
485	I	98.5	Very high	92.1	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	134.3	-178.7	-173	173.7	0	0	0	111.1	V196 Q199 M200 A468 N469 V470 L487 E497 L498	V196-I485 HydrophobicContact CB-CB 4.14Å; V196-I485 HydrophobicContact CB-CG2 4.44Å; V196-I485 HydrophobicContact CG1-CB 4.05Å; V196-I485 HydrophobicContact CG1-CG2 4.19Å; V196-I485 WeakPolarHBondContact O-CD1 3.42Å; Q199-I485 HydrophobicContact CB-CD1 4.16Å; Q199-I485 HydrophobicContact CB-CG2 4.11Å; M200-I485 HydrophobicContact CB-CD1 3.64Å; M200-I485 HydrophobicContact CG-CD1 4.39Å; A468-I485 HydrophobicContact CB-CD1 4.27Å; N469-I485 WeakPolarHBondContact O-CA 3.42Å; V470-I485 HydrophobicContact CG2-CD1 3.92Å; V470-I485 HydrophobicContact CG2-CG1 4.07Å; I485-L487 HydrophobicContact CD1-CD1 4.46Å; I485-L487 HydrophobicContact CD1-CD2 3.58Å; I485-L487 HydrophobicContact CD1-CG 3.97Å; I485-L487 HydrophobicContact CG1-CD2 4Å; I485-L487 HydrophobicContact CG1-CG 4Å; I485-L487 HydrophobicContact CG2-CD1 4.36Å; I485-L487 HydrophobicContact CG2-CG 4.34Å; I485-E497 CarbonylContact O-C 3.53Å; I485-E497 WeakPolarHBondContact O-CA 2.98Å; I485-L498 HydrophobicContact CG2-CB 3.84Å; I485-L498 PolarHBondContact N-O 3.09Å; I485-L498 PolarHBondContact O-N 3.16Å
486	H	98.4	Very high	92.5	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.009	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.8	164.9	-47.7	135	0	0	0	109.3	A468 N469 R484 W495 F496 E497 I511 S514	A468-H486 CarbonylContact C-O 3.45Å; A468-H486 VanDerWaalsContact CA-O 3.29Å; A468-H486 WeakPolarHBondContact CA-O 3.39Å; N469-H486 HydrophobicContact CB-CB 4.24Å; N469-H486 PolarHBondContact N-O 3.47Å; N469-H486 PolarHBondContact ND2-ND1 3.22Å; N469-H486 PolarHBondContact O-N 2.85Å; R484-H486 PolarHBondContact NH1-NE2 3.3Å; H486-W495 HydrophobicContact CB-CE3 4.09Å; H486-W495 HydrophobicContact CB-CZ3 4.31Å; H486-F496 CarbonylContact C-O 3.54Å; H486-F496 VanDerWaalsContact CA-O 3.25Å; H486-F496 WeakPolarHBondContact CA-O 3.48Å; H486-E497 IonicContact CD2-OE2 3.43Å; H486-E497 IonicContact NE2-OE2 3.01Å; H486-E497 PolarHBondContact NE2-OE2 3.48Å; H486-I511 HydrophobicContact CB-CD1 4.47Å; H486-I511 HydrophobicContact CB-CG1 4.27Å; H486-I511 HydrophobicContact CB-CG2 4.47Å; H486-S514 PolarHBondContact CE1-OG 3.31Å
487	L	97.5	Very high	93.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	137.6	-179.6	-71.4	174	0	0	0	110.9	Q199 H203 A468 I485 W495 F496 L498	Q199-L487 HydrophobicContact CB-CD1 4.01Å; H203-L487 HydrophobicContact CB-CD2 4.06Å; H203-L487 VanDerWaalsContact CD2-CD1 3.42Å; H203-L487 WeakPolarHBondContact CD2-CD1 3.28Å; H203-L487 WeakPolarHBondContact NE2-CD1 3.19Å; A468-L487 HydrophobicContact CB-CD2 3.61Å; I485-L487 HydrophobicContact CD1-CD1 4.46Å; I485-L487 HydrophobicContact CD1-CD2 3.58Å; I485-L487 HydrophobicContact CD1-CG 3.97Å; I485-L487 HydrophobicContact CG1-CD2 4Å; I485-L487 HydrophobicContact CG1-CG 4Å; I485-L487 HydrophobicContact CG2-CD1 4.36Å; I485-L487 HydrophobicContact CG2-CG 4.34Å; L487-W495 VanDerWaalsContact C-CE3 3.41Å; L487-W495 CarbonylContact O-C 3.55Å; L487-W495 WeakPolarHBondContact O-CA 3.24Å; L487-F496 PolarHBondContact N-O 3.06Å; L487-F496 PolarHBondContact O-N 3.07Å; L487-L498 HydrophobicContact CB-CD1 4.3Å; L487-L498 HydrophobicContact CD1-CD1 3.85Å; L487-L498 HydrophobicContact CD1-CD2 4.17Å; L487-L498 HydrophobicContact CG-CD1 4.3Å
488	V	96.9	Very high	93.8	Very high	17 Å²	17	32 Å²	32	10%	0.103	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	124.1	169.9	73.3	0	0	0	0	110.4	V467 R490 W495	V467-V488 HydrophobicContact CB-CG1 4.28Å; V467-V488 HydrophobicContact CG1-CG1 4.03Å; V467-V488 WeakPolarHBondContact O-CG1 3.01Å; V467-V488 PolarHBondContact O-N 3.22Å; V488-R490 PolarHBondContact O-N 3.25Å; V488-W495 HydrophobicContact CB-CD2 3.92Å; V488-W495 HydrophobicContact CB-CE3 4.1Å; V488-W495 HydrophobicContact CB-CH2 3.94Å; V488-W495 HydrophobicContact CB-CZ2 3.77Å; V488-W495 HydrophobicContact CB-CZ3 4.11Å; V488-W495 HydrophobicContact CG2-CD2 4.29Å; V488-W495 HydrophobicContact CG2-CZ2 4.2Å
489	H	96.2	Very high	94.6	Very high	6 Å²	6	30.4 Å²	30.4	3%	0.028	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	99.9	168.8	-179.6	-105.2	0	0	0	109.4	Y166 Y179 V182 G491 T492 G493 K494 F496	Y166-H489 PolarHBondContact O-CE1 3.09Å; Y179-H489 AromaticContact CD1-CE1 3.39Å; Y179-H489 WeakPolarHBondContact CD1-CE1 3.22Å; Y179-H489 AromaticContact CD1-ND1 3.88Å; Y179-H489 AromaticContact CD1-NE2 3.67Å; Y179-H489 AromaticContact CE1-CE1 3.83Å; V182-H489 HydrophobicContact CG2-CB 4.27Å; H489-G491 VanDerWaalsContact C-N 3.3Å; H489-G491 PolarHBondContact O-N 3.32Å; H489-T492 VanDerWaalsContact ND1-CG2 3.32Å; H489-T492 WeakPolarHBondContact ND1-CG2 3.32Å; H489-T492 PolarHBondContact ND1-N 2.87Å; H489-T492 PolarHBondContact ND1-OG1 3.44Å; H489-T492 PolarHBondContact O-N 2.88Å; H489-T492 PolarHBondContact O-OG1 3.36Å; H489-T492 VanDerWaalsContact O-OG1 3.11Å; H489-G493 PolarHBondContact O-N 2.63Å; H489-K494 PolarHBondContact N-O 3.39Å; H489-F496 HydrophobicContact CB-CD2 3.96Å; H489-F496 HydrophobicContact CB-CE2 3.65Å
490	R	93.4	Very high	95.4	Very high	91 Å²	91	29.2 Å²	29.2	34%	0.343	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-42.4	-171.2	-70.6	-179.1	178.6	-86.1	-1.8	114.2	D164 S205 Y416 V488 T492 G493	D164-R490 HydrophobicContact CB-CB 4.28Å; D164-R490 VanDerWaalsContact CG-CD 3.48Å; D164-R490 CarbonylContact O-C 3.46Å; D164-R490 WeakPolarHBondContact O-CB 3.47Å; D164-R490 WeakPolarHBondContact OD1-CD 3.28Å; S205-R490 PolarHBondContact OG-NE 3Å; Y416-R490 PolarHBondContact OH-NH2 3.34Å; V488-R490 PolarHBondContact O-N 3.25Å; R490-T492 VanDerWaalsContact C-N 3.26Å; R490-T492 PolarHBondContact O-N 2.85Å; R490-G493 PolarHBondContact O-N 3.48Å
491	G	90.8	Very high	95.8	Very high	21 Å²	21	31.1 Å²	31.1	22%	0.216	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-26.7	-177	0	0	0	0	0	113.9	D164 S167 H489	D164-G491 WeakPolarHBondContact O-CA 3.45Å; D164-G491 PolarHBondContact O-N 3.36Å; S167-G491 WeakPolarHBondContact CB-O 3.43Å; H489-G491 VanDerWaalsContact C-N 3.3Å; H489-G491 PolarHBondContact O-N 3.32Å
492	T	94.7	Very high	96.1	Very high	43 Å²	43	36.2 Å²	36.2	26%	0.264	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-21.4	178.1	58.2	0	0	0	0	113.9	S167 Y179 H489 R490 K494	S167-T492 WeakPolarHBondContact O-CG2 3.43Å; Y179-T492 HydrophobicContact CE1-CG2 3.76Å; H489-T492 VanDerWaalsContact ND1-CG2 3.32Å; H489-T492 WeakPolarHBondContact ND1-CG2 3.32Å; H489-T492 PolarHBondContact ND1-N 2.87Å; H489-T492 PolarHBondContact ND1-OG1 3.44Å; H489-T492 PolarHBondContact O-N 2.88Å; H489-T492 PolarHBondContact O-OG1 3.36Å; H489-T492 VanDerWaalsContact O-OG1 3.11Å; R490-T492 VanDerWaalsContact C-N 3.26Å; R490-T492 PolarHBondContact O-N 2.85Å; T492-K494 PolarHBondContact O-N 2.85Å; T492-K494 WeakPolarHBondContact OG1-CB 3.36Å; T492-K494 PolarHBondContact OG1-N 3.4Å
493	G	94	Very high	96.2	Very high	36 Å²	36	36.1 Å²	36.1	37%	0.371	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	1.7	-168.1	0	0	0	0	0	115.2	H489 R490	H489-G493 PolarHBondContact O-N 2.63Å; R490-G493 PolarHBondContact O-N 3.48Å
494	K	96.2	Very high	96.2	Very high	79 Å²	79	37.5 Å²	37.5	34%	0.343	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	154.1	175.8	-66.8	178.1	163.6	-132.2	0	111.6	H489 T492 F496 E505	H489-K494 PolarHBondContact N-O 3.39Å; T492-K494 PolarHBondContact O-N 2.85Å; T492-K494 WeakPolarHBondContact OG1-CB 3.36Å; T492-K494 PolarHBondContact OG1-N 3.4Å; K494-F496 HydrophobicContact CB-CE2 3.89Å; K494-F496 HydrophobicContact CB-CZ 4.25Å; K494-E505 WeakPolarHBondContact CD-OE1 3.34Å; K494-E505 WeakPolarHBondContact CE-OE1 3.28Å; K494-E505 IonicContact NZ-OE1 3.75Å; K494-E505 PolarHBondContact NZ-OE1 3.44Å; K494-E505 IonicContact NZ-OE2 2.85Å; K494-E505 PolarHBondContact NZ-OE2 2.81Å
495	W	97.9	Very high	96.2	Very high	5 Å²	5	40.7 Å²	40.7	2%	0.019	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	141.8	176.2	-74.7	81.2	0	0	0	110.7	L466 H486 L487 V488 V506 I511	L466-W495 HydrophobicContact CB-CH2 3.95Å; L466-W495 HydrophobicContact CB-CZ2 4.27Å; L466-W495 HydrophobicContact CD2-CH2 3.74Å; L466-W495 HydrophobicContact CD2-CZ2 4.37Å; L466-W495 HydrophobicContact CD2-CZ3 4.38Å; L466-W495 HydrophobicContact CG-CH2 3.69Å; L466-W495 HydrophobicContact CG-CZ2 4.44Å; L466-W495 WeakPolarHBondContact O-CH2 3.39Å; L466-W495 WeakPolarHBondContact O-CZ2 3.46Å; H486-W495 HydrophobicContact CB-CE3 4.09Å; H486-W495 HydrophobicContact CB-CZ3 4.31Å; L487-W495 VanDerWaalsContact C-CE3 3.41Å; L487-W495 CarbonylContact O-C 3.55Å; L487-W495 WeakPolarHBondContact O-CA 3.24Å; V488-W495 HydrophobicContact CB-CD2 3.92Å; V488-W495 HydrophobicContact CB-CE3 4.1Å; V488-W495 HydrophobicContact CB-CH2 3.94Å; V488-W495 HydrophobicContact CB-CZ2 3.77Å; V488-W495 HydrophobicContact CB-CZ3 4.11Å; V488-W495 HydrophobicContact CG2-CD2 4.29Å; V488-W495 HydrophobicContact CG2-CZ2 4.2Å; W495-V506 HydrophobicContact CB-CG1 3.75Å; W495-V506 WeakPolarHBondContact CB-O 3.47Å; W495-V506 PolarHBondContact O-N 3.19Å; W495-I511 HydrophobicContact CB-CD1 4.09Å; W495-I511 HydrophobicContact CD2-CD1 3.18Å; W495-I511 HydrophobicContact CE3-CD1 3.29Å; W495-I511 HydrophobicContact CE3-CG1 4.47Å; W495-I511 HydrophobicContact CG-CD1 3.58Å; W495-I511 HydrophobicContact CH2-CD1 4.2Å; W495-I511 HydrophobicContact CZ2-CD1 4.11Å; W495-I511 HydrophobicContact CZ3-CD1 3.82Å
496	F	98	Very high	96.1	Very high	16 Å²	16	41.7 Å²	41.7	7%	0.07	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	137	179	-65.5	-88.9	0	0	0	109.8	Y179 V182 H486 L487 H489 K494 L498 V503 S504 E505	Y179-F496 HydrophobicContact CD2-CE1 4.25Å; Y179-F496 HydrophobicContact CD2-CE2 4.15Å; Y179-F496 AromaticContact CD2-CZ 3.62Å; Y179-F496 HydrophobicContact CD2-CZ 3.62Å; Y179-F496 HydrophobicContact CE2-CE1 4.29Å; Y179-F496 HydrophobicContact CE2-CE2 4.31Å; Y179-F496 AromaticContact CE2-CZ 3.54Å; Y179-F496 HydrophobicContact CE2-CZ 3.54Å; V182-F496 HydrophobicContact CG1-CB 3.69Å; V182-F496 HydrophobicContact CG1-CD1 3.98Å; V182-F496 HydrophobicContact CG1-CD2 3.96Å; V182-F496 HydrophobicContact CG1-CG 3.59Å; V182-F496 HydrophobicContact CG2-CD2 4.28Å; H486-F496 CarbonylContact C-O 3.54Å; H486-F496 VanDerWaalsContact CA-O 3.25Å; H486-F496 WeakPolarHBondContact CA-O 3.48Å; L487-F496 PolarHBondContact N-O 3.06Å; L487-F496 PolarHBondContact O-N 3.07Å; H489-F496 HydrophobicContact CB-CD2 3.96Å; H489-F496 HydrophobicContact CB-CE2 3.65Å; K494-F496 HydrophobicContact CB-CE2 3.89Å; K494-F496 HydrophobicContact CB-CZ 4.25Å; F496-L498 HydrophobicContact CB-CD1 3.8Å; F496-V503 HydrophobicContact CD1-CG1 4.37Å; F496-S504 CarbonylContact C-O 3.6Å; F496-S504 WeakPolarHBondContact CA-O 3.26Å; F496-E505 HydrophobicContact CD1-CB 4.35Å; F496-E505 HydrophobicContact CE1-CB 4.21Å
497	E	98	Very high	96.1	Very high	34 Å²	34	46.9 Å²	46.9	16%	0.159	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127	166.2	-179.8	-179.2	100	0	0	108.8	R484 I485 H486 V503 S504 V506	R484-E497 IonicContact CZ-OE2 3.84Å; R484-E497 IonicContact NH1-OE2 3.65Å; R484-E497 PolarHBondContact NH1-OE2 3.3Å; I485-E497 CarbonylContact O-C 3.53Å; I485-E497 WeakPolarHBondContact O-CA 2.98Å; H486-E497 IonicContact CD2-OE2 3.43Å; H486-E497 IonicContact NE2-OE2 3.01Å; H486-E497 PolarHBondContact NE2-OE2 3.48Å; E497-V503 WeakPolarHBondContact O-CA 3.13Å; E497-S504 PolarHBondContact N-O 2.8Å; E497-S504 PolarHBondContact O-N 3.27Å; E497-V506 HydrophobicContact CB-CB 4.36Å; E497-V506 HydrophobicContact CB-CG1 4.36Å
498	L	97.7	Very high	96	Very high	5 Å²	5	49 Å²	49	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.2	175	-65.3	76.8	0	0	0	108.9	V182 Q199 R484 I485 L487 F496 H502 V503	V182-L498 HydrophobicContact CG1-CD1 4.11Å; V182-L498 HydrophobicContact CG1-CD2 4.45Å; Q199-L498 HydrophobicContact CG-CD2 4.39Å; R484-L498 CarbonylContact C-O 3.57Å; R484-L498 WeakPolarHBondContact CA-O 3.49Å; R484-L498 WeakPolarHBondContact CB-O 3.2Å; I485-L498 HydrophobicContact CG2-CB 3.84Å; I485-L498 PolarHBondContact N-O 3.09Å; I485-L498 PolarHBondContact O-N 3.16Å; L487-L498 HydrophobicContact CB-CD1 4.3Å; L487-L498 HydrophobicContact CD1-CD1 3.85Å; L487-L498 HydrophobicContact CD1-CD2 4.17Å; L487-L498 HydrophobicContact CG-CD1 4.3Å; F496-L498 HydrophobicContact CB-CD1 3.8Å; L498-H502 WeakPolarHBondContact CA-O 3.41Å; L498-V503 HydrophobicContact CD2-CG2 4.37Å; L498-V503 HydrophobicContact CG-CG1 4.28Å; L498-V503 HydrophobicContact CG-CG2 4.13Å
499	Q	96.2	Very high	95.9	Very high	64 Å²	64	55.5 Å²	55.5	30%	0.299	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	96.7	170.3	-174.2	177.8	2.5	0	0	107.8	R484 L501 H502	R484-Q499 HydrophobicContact CB-CB 3.91Å; R484-Q499 HydrophobicContact CB-CG 4.18Å; Q499-L501 PolarHBondContact O-N 3.34Å; Q499-H502 PolarHBondContact N-O 3.48Å; Q499-H502 WeakPolarHBondContact O-CB 3.35Å; Q499-H502 PolarHBondContact O-N 3.35Å
500	D	94.9	Very high	95.8	Very high	30 Å²	30	60.1 Å²	60.1	16%	0.16	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	-107.5	-173.1	-60.4	-39.6	0	0	0	112.3	G184 L185 N187 N195	G184-D500 CarbonylContact C-O 3.53Å; G184-D500 WeakPolarHBondContact CA-O 3.49Å; L185-D500 PolarHBondContact N-O 3.39Å; L185-D500 CarbonylContact O-C 3.53Å; L185-D500 VanDerWaalsContact O-CA 3.25Å; L185-D500 WeakPolarHBondContact O-CA 3.31Å; N187-D500 HydrophobicContact CB-CB 3.99Å; N187-D500 VanDerWaalsContact CB-CG 3.48Å; N187-D500 VanDerWaalsContact CB-OD2 3.29Å; N187-D500 WeakPolarHBondContact CB-OD2 3.28Å; N187-D500 PolarHBondContact ND2-OD2 2.91Å; N195-D500 PolarHBondContact ND2-OD1 3.17Å
501	L	95.3	Very high	96	Very high	93 Å²	93	55.8 Å²	55.8	49%	0.487	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-18.5	179.4	-65.6	-179.6	0	0	0	113.6	L185 N186 H251 Q499	L185-L501 PolarHBondContact O-N 3.44Å; N186-L501 WeakPolarHBondContact OD1-CD2 3.39Å; H251-L501 HydrophobicContact CB-CD2 3.53Å; Q499-L501 PolarHBondContact O-N 3.34Å
502	H	95.2	Very high	96.2	Very high	111 Å²	111	55.8 Å²	55.8	51%	0.514	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	126.3	-179.2	-168.6	68.8	0	0	0	110.1	L498 Q499	L498-H502 WeakPolarHBondContact CA-O 3.41Å; Q499-H502 PolarHBondContact N-O 3.48Å; Q499-H502 WeakPolarHBondContact O-CB 3.35Å; Q499-H502 PolarHBondContact O-N 3.35Å
503	V	96.6	Very high	96.2	Very high	54 Å²	54	58.8 Å²	58.8	33%	0.327	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	121.6	177.7	-177.6	0	0	0	0	107.8	V182 F496 E497 L498	V182-V503 HydrophobicContact CG1-CG1 3.79Å; F496-V503 HydrophobicContact CD1-CG1 4.37Å; E497-V503 WeakPolarHBondContact O-CA 3.13Å; L498-V503 HydrophobicContact CD2-CG2 4.37Å; L498-V503 HydrophobicContact CG-CG1 4.28Å; L498-V503 HydrophobicContact CG-CG2 4.13Å
504	S	96.8	Very high	96.2	Very high	35 Å²	35	57.4 Å²	57.4	25%	0.245	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	150.5	-180	63.2	0	0	0	0	110.8	F496 E497	F496-S504 CarbonylContact C-O 3.6Å; F496-S504 WeakPolarHBondContact CA-O 3.26Å; E497-S504 PolarHBondContact N-O 2.8Å; E497-S504 PolarHBondContact O-N 3.27Å
505	E	97.2	Very high	96.1	Very high	112 Å²	112	55.6 Å²	55.6	52%	0.523	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	133.9	172.2	-175.3	172.1	169	0	0	108.9	K494 F496	K494-E505 WeakPolarHBondContact CD-OE1 3.34Å; K494-E505 WeakPolarHBondContact CE-OE1 3.28Å; K494-E505 IonicContact NZ-OE1 3.75Å; K494-E505 PolarHBondContact NZ-OE1 3.44Å; K494-E505 IonicContact NZ-OE2 2.85Å; K494-E505 PolarHBondContact NZ-OE2 2.81Å; F496-E505 HydrophobicContact CD1-CB 4.35Å; F496-E505 HydrophobicContact CE1-CB 4.21Å
506	V	97.1	Very high	96.1	Very high	22 Å²	22	55.3 Å²	55.3	13%	0.133	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	141.5	-179.5	66	0	0	0	0	110.6	W495 E497 M510	W495-V506 HydrophobicContact CB-CG1 3.75Å; W495-V506 WeakPolarHBondContact CB-O 3.47Å; W495-V506 PolarHBondContact O-N 3.19Å; E497-V506 HydrophobicContact CB-CB 4.36Å; E497-V506 HydrophobicContact CB-CG1 4.36Å; V506-M510 HydrophobicContact CG2-CB 3.98Å
507	L	96.8	Very high	96	Very high	110 Å²	110	54.6 Å²	54.6	58%	0.576	28%	0.281	S	S	*	.			trans	-71	137.8	176.2	-68	174.7	0	0	0	110.3	Q509 M510	L507-Q509 PolarHBondContact O-N 2.89Å; L507-M510 HydrophobicContact CB-CG 4.06Å; L507-M510 WeakPolarHBondContact O-CB 3.46Å; L507-M510 PolarHBondContact O-N 2.8Å
508	P	96	Very high	96	Very high	44 Å²	44	53 Å²	53	29%	0.286	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-58.9	-28.1	-177	-18.8	26	0	0	0	114.2	I442 M510 I511	I442-P508 HydrophobicContact CD1-CB 3.31Å; I442-P508 HydrophobicContact CD1-CG 4.44Å; P508-M510 VanDerWaalsContact C-N 3.27Å; P508-M510 PolarHBondContact O-N 2.84Å; P508-I511 PolarHBondContact O-N 2.85Å
509	Q	94.5	Very high	96	Very high	155 Å²	155	52.7 Å²	52.7	72%	0.724	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-70.4	-20.5	178.7	-65.1	145.5	-6	0	0	113.2	L507	L507-Q509 PolarHBondContact O-N 2.89Å
510	M	95.3	Very high	96.2	Very high	102 Å²	102	49.7 Å²	49.7	50%	0.502	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-82.9	-18.7	179.8	-61	-59.8	-66	0	0	112.5	V506 L507 P508 L513	V506-M510 HydrophobicContact CG2-CB 3.98Å; L507-M510 HydrophobicContact CB-CG 4.06Å; L507-M510 WeakPolarHBondContact O-CB 3.46Å; L507-M510 PolarHBondContact O-N 2.8Å; P508-M510 VanDerWaalsContact C-N 3.27Å; P508-M510 PolarHBondContact O-N 2.84Å; M510-L513 HydrophobicContact CE-CD1 3.87Å; M510-L513 WeakPolarHBondContact O-CB 3.16Å; M510-L513 PolarHBondContact O-N 3.48Å; M510-L513 HydrophobicContact SD-CD1 3.82Å
511	I	96.5	Very high	96.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-62.9	-47.5	-175.2	-60.1	167.3	0	0	0	111.7	F440 L466 N469 H486 W495 P508 L513 S514	F440-I511 HydrophobicContact CE2-CG2 4.07Å; F440-I511 HydrophobicContact CZ-CG2 4.22Å; L466-I511 HydrophobicContact CD2-CG2 3.97Å; N469-I511 HydrophobicContact CB-CG2 4.02Å; H486-I511 HydrophobicContact CB-CD1 4.47Å; H486-I511 HydrophobicContact CB-CG1 4.27Å; H486-I511 HydrophobicContact CB-CG2 4.47Å; W495-I511 HydrophobicContact CB-CD1 4.09Å; W495-I511 HydrophobicContact CD2-CD1 3.18Å; W495-I511 HydrophobicContact CE3-CD1 3.29Å; W495-I511 HydrophobicContact CE3-CG1 4.47Å; W495-I511 HydrophobicContact CG-CD1 3.58Å; W495-I511 HydrophobicContact CH2-CD1 4.2Å; W495-I511 HydrophobicContact CZ2-CD1 4.11Å; W495-I511 HydrophobicContact CZ3-CD1 3.82Å; P508-I511 PolarHBondContact O-N 2.85Å; I511-L513 PolarHBondContact O-N 3.09Å; I511-S514 PolarHBondContact O-N 3.24Å; I511-S514 PolarHBondContact O-OG 3.12Å
512	P	95.5	Very high	96.4	Very high	21 Å²	21	44.1 Å²	44.1	14%	0.136	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-66.6	-15.2	178.5	-20.8	35.5	0	0	0	114.6	I437 F440 I442 S514	I437-P512 WeakPolarHBondContact CG2-O 3.32Å; F440-P512 HydrophobicContact CD2-CB 4.46Å; F440-P512 HydrophobicContact CD2-CG 4.23Å; F440-P512 HydrophobicContact CE1-CB 4.26Å; F440-P512 HydrophobicContact CE2-CB 4.19Å; F440-P512 HydrophobicContact CE2-CG 3.96Å; F440-P512 HydrophobicContact CZ-CB 4.09Å; F440-P512 HydrophobicContact CZ-CG 4.31Å; F440-P512 WeakPolarHBondContact O-CG 3.39Å; I442-P512 HydrophobicContact CG2-CG 4.31Å; P512-S514 PolarHBondContact O-N 2.72Å
513	L	93.8	Very high	96.5	Very high	106 Å²	106	40.2 Å²	40.2	56%	0.555	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-77.8	-8.4	177.7	-55.2	178.7	0	0	0	113.1	I437 M510 I511	I437-L513 WeakPolarHBondContact CD1-O 3.46Å; M510-L513 HydrophobicContact CE-CD1 3.87Å; M510-L513 WeakPolarHBondContact O-CB 3.16Å; M510-L513 PolarHBondContact O-N 3.48Å; M510-L513 HydrophobicContact SD-CD1 3.82Å; I511-L513 PolarHBondContact O-N 3.09Å
514	S	94.6	Very high	96.4	Very high	8 Å²	8	39 Å²	39	6%	0.056	21%	0.205	C	C	.	.	S	Bend	trans	-88.4	154.8	-178.3	65.6	0	0	0	0	112.9	N469 V471 H486 I511 P512 T516	N469-S514 PolarHBondContact ND2-OG 3.4Å; V471-S514 WeakPolarHBondContact CG2-OG 3.43Å; H486-S514 PolarHBondContact CE1-OG 3.31Å; I511-S514 PolarHBondContact O-N 3.24Å; I511-S514 PolarHBondContact O-OG 3.12Å; P512-S514 PolarHBondContact O-N 2.72Å; S514-T516 PolarHBondContact O-N 3.23Å
515	E	94.7	Very high	96.2	Very high	40 Å²	40	44.3 Å²	44.3	19%	0.187	22%	0.224	C	C	.	.			trans	-73.3	69.4	173.5	-65.5	179.7	132	0	0	110.8	R423 K433 P435 I437 L517	R423-E515 PolarHBondContact NE-O 3.45Å; K433-E515 WeakPolarHBondContact CE-OE2 3.3Å; K433-E515 IonicContact NZ-OE1 2.69Å; K433-E515 IonicContact NZ-OE2 2.83Å; K433-E515 PolarHBondContact NZ-OE2 2.76Å; P435-E515 VanDerWaalsContact CA-OE1 3.26Å; P435-E515 WeakPolarHBondContact CA-OE1 3.37Å; P435-E515 WeakPolarHBondContact CB-OE1 3.37Å; I437-E515 HydrophobicContact CD1-CG 3.81Å; E515-L517 PolarHBondContact O-N 3.3Å
516	T	96.6	Very high	95.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	126.6	-178.2	-177.8	0	0	0	0	112	M421 R423 V438 F440 N469 S514 Q519	M421-T516 WeakPolarHBondContact CB-O 3.39Å; M421-T516 HydrophobicContact CE-CG2 4.22Å; M421-T516 HydrophobicContact CG-CG2 4.05Å; M421-T516 HydrophobicContact SD-CG2 4.16Å; R423-T516 VanDerWaalsContact CZ-O 3.27Å; R423-T516 PolarHBondContact NE-O 3.31Å; R423-T516 PolarHBondContact NH2-O 2.6Å; V438-T516 HydrophobicContact CB-CG2 3.85Å; V438-T516 HydrophobicContact CG2-CG2 3.92Å; F440-T516 HydrophobicContact CE1-CG2 3.81Å; N469-T516 WeakPolarHBondContact OD1-CB 3.38Å; N469-T516 PolarHBondContact OD1-OG1 2.85Å; S514-T516 PolarHBondContact O-N 3.23Å; T516-Q519 VanDerWaalsContact OG1-CG 3.25Å; T516-Q519 WeakPolarHBondContact OG1-CG 3.47Å; T516-Q519 PolarHBondContact OG1-NE2 3.2Å
517	L	97	Very high	95.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-50.5	179	-175.3	70	0	0	0	110.8	A277 Y420 M421 R423 F424 V470 H472 E515	A277-L517 HydrophobicContact CB-CD2 4.2Å; Y420-L517 WeakPolarHBondContact CD2-O 3.25Å; Y420-L517 HydrophobicContact CE2-CD1 3.84Å; Y420-L517 HydrophobicContact CE2-CG 4.23Å; M421-L517 PolarHBondContact N-O 3.49Å; R423-L517 HydrophobicContact CB-CD1 4.38Å; R423-L517 HydrophobicContact CG-CD1 4.48Å; F424-L517 HydrophobicContact CD2-CD1 4.3Å; F424-L517 HydrophobicContact CE2-CD1 3.76Å; V470-L517 PolarHBondContact O-N 3.09Å; H472-L517 HydrophobicContact CB-CD2 4.14Å; E515-L517 PolarHBondContact O-N 3.3Å
518	I	98.3	Very high	95.3	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	133.7	179.8	-57.5	164.4	0	0	0	108.8	I197 M200 A277 I278 L281 I418 L419 Y420 N469 V470	I197-I518 HydrophobicContact CD1-CD1 3.65Å; M200-I518 HydrophobicContact CE-CG2 4.38Å; M200-I518 HydrophobicContact SD-CB 4.43Å; M200-I518 HydrophobicContact SD-CG2 3.61Å; A277-I518 HydrophobicContact CB-CD1 4.36Å; I278-I518 HydrophobicContact CB-CD1 4.48Å; I278-I518 HydrophobicContact CD1-CD1 4.3Å; L281-I518 HydrophobicContact CD2-CD1 4.16Å; L281-I518 HydrophobicContact CD2-CG2 4.2Å; I418-I518 HydrophobicContact CG2-CG2 3.66Å; L419-I518 CarbonylContact O-C 3.57Å; L419-I518 WeakPolarHBondContact O-CA 3.47Å; Y420-I518 HydrophobicContact CD2-CG1 3.93Å; N469-I518 CarbonylContact C-O 3.5Å; N469-I518 WeakPolarHBondContact CA-O 3.41Å; V470-I518 HydrophobicContact CB-CB 4.01Å; V470-I518 HydrophobicContact CG2-CB 4.18Å; V470-I518 PolarHBondContact N-O 2.9Å; V470-I518 PolarHBondContact O-N 3.17Å
519	Q	98.2	Very high	95	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	145.7	175.2	-62.9	-177.1	-24.6	0	0	110.9	I418 L419 M421 F440 L466 A468 N469 T516 W521	I418-Q519 CarbonylContact C-O 3.56Å; I418-Q519 VanDerWaalsContact CA-O 3.27Å; I418-Q519 WeakPolarHBondContact CA-O 3.45Å; L419-Q519 HydrophobicContact CB-CB 4.34Å; L419-Q519 PolarHBondContact N-O 2.85Å; L419-Q519 PolarHBondContact O-N 2.91Å; M421-Q519 HydrophobicContact CE-CB 4.5Å; M421-Q519 HydrophobicContact CE-CG 3.84Å; M421-Q519 HydrophobicContact SD-CG 4.23Å; F440-Q519 VanDerWaalsContact CD1-NE2 3.31Å; L466-Q519 HydrophobicContact CD1-CB 3.86Å; L466-Q519 HydrophobicContact CD1-CG 4.13Å; A468-Q519 CarbonylContact O-C 3.46Å; A468-Q519 WeakPolarHBondContact O-CA 3.35Å; N469-Q519 PolarHBondContact OD1-NE2 2.97Å; T516-Q519 VanDerWaalsContact OG1-CG 3.25Å; T516-Q519 WeakPolarHBondContact OG1-CG 3.47Å; T516-Q519 PolarHBondContact OG1-NE2 3.2Å; Q519-W521 VanDerWaalsContact OE1-CZ2 3.25Å
520	V	98.4	Very high	94.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	124.3	168.9	-175.5	0	0	0	0	109.3	M200 I204 Y416 I418 V467 A468	M200-V520 HydrophobicContact CE-CG2 4.2Å; M200-V520 HydrophobicContact CG-CB 4.5Å; M200-V520 HydrophobicContact CG-CG2 3.33Å; M200-V520 HydrophobicContact SD-CG2 3.38Å; M200-V520 WeakPolarHBondContact SD-CG2 3.33Å; I204-V520 HydrophobicContact CD1-CG1 3.94Å; I204-V520 HydrophobicContact CD1-CG2 4.5Å; I204-V520 HydrophobicContact CG1-CG1 4.07Å; Y416-V520 HydrophobicContact CD1-CG1 3.86Å; I418-V520 HydrophobicContact CG1-CG2 4.24Å; V467-V520 PolarHBondContact N-O 3.2Å; A468-V520 HydrophobicContact CB-CB 4.09Å; A468-V520 HydrophobicContact CB-CG2 4.21Å; A468-V520 PolarHBondContact N-O 2.81Å; A468-V520 PolarHBondContact O-N 3.32Å
521	W	98.2	Very high	94.4	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.4	179.4	-63.5	86.6	0	0	0	109.1	L382 Y416 L417 F440 P441 I445 F447 Y464 D465 L466 Q519	L382-W521 HydrophobicContact CD2-CH2 4.45Å; L382-W521 HydrophobicContact CD2-CZ2 3.86Å; Y416-W521 CarbonylContact C-O 3.59Å; Y416-W521 VanDerWaalsContact CA-O 3.23Å; Y416-W521 WeakPolarHBondContact CA-O 3.49Å; L417-W521 HydrophobicContact CB-CB 4.35Å; L417-W521 PolarHBondContact N-O 3.27Å; L417-W521 PolarHBondContact O-N 3.36Å; F440-W521 HydrophobicContact CB-CH2 4.45Å; F440-W521 HydrophobicContact CB-CZ2 4.47Å; F440-W521 HydrophobicContact CD2-CH2 4.17Å; F440-W521 HydrophobicContact CD2-CZ2 4.26Å; P441-W521 WeakPolarHBondContact O-CH2 3.2Å; P441-W521 WeakPolarHBondContact O-CZ3 3.16Å; I445-W521 HydrophobicContact CB-CZ3 4.41Å; I445-W521 HydrophobicContact CD1-CE3 4.24Å; I445-W521 HydrophobicContact CD1-CH2 3.23Å; I445-W521 HydrophobicContact CD1-CZ2 3.94Å; I445-W521 HydrophobicContact CD1-CZ3 3.38Å; I445-W521 HydrophobicContact CG1-CH2 4.15Å; I445-W521 HydrophobicContact CG1-CZ3 3.81Å; F447-W521 HydrophobicContact CE2-CB 4.44Å; F447-W521 HydrophobicContact CE2-CD2 4.17Å; F447-W521 HydrophobicContact CE2-CE3 4.3Å; F447-W521 HydrophobicContact CE2-CG 4.23Å; F447-W521 HydrophobicContact CZ-CD2 4.2Å; F447-W521 HydrophobicContact CZ-CG 4.17Å; Y464-W521 HydrophobicContact CD1-CB 3.95Å; Y464-W521 HydrophobicContact CG-CB 4.34Å; D465-W521 CarbonylContact O-C 3.57Å; D465-W521 WeakPolarHBondContact O-CA 3.16Å; L466-W521 HydrophobicContact CB-CD2 4.41Å; L466-W521 HydrophobicContact CB-CE3 3.96Å; L466-W521 HydrophobicContact CB-CH2 3.87Å; L466-W521 HydrophobicContact CB-CZ2 4.38Å; L466-W521 HydrophobicContact CB-CZ3 3.67Å; L466-W521 HydrophobicContact CD1-CD2 3.97Å; L466-W521 HydrophobicContact CD1-CE3 4.37Å; L466-W521 HydrophobicContact CD1-CH2 4Å; L466-W521 HydrophobicContact CD1-CZ2 3.63Å; L466-W521 HydrophobicContact CD1-CZ3 4.38Å; L466-W521 HydrophobicContact CG-CH2 4.38Å; L466-W521 HydrophobicContact CG-CZ2 4.47Å; Q519-W521 VanDerWaalsContact OE1-CZ2 3.25Å
522	A	97.5	Very high	93.9	Very high	6 Å²	6	41.3 Å²	41.3	5%	0.05	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	138.2	175.2	0	0	0	0	0	110.9	Y416 Y464 D465 V467 N524	Y416-A522 HydrophobicContact CD1-CB 3.84Å; Y416-A522 HydrophobicContact CE1-CB 3.54Å; Y416-A522 HydrophobicContact CE2-CB 4.48Å; Y416-A522 HydrophobicContact CG-CB 4.47Å; Y464-A522 CarbonylContact C-O 3.5Å; Y464-A522 WeakPolarHBondContact CA-O 3.09Å; D465-A522 PolarHBondContact N-O 3.29Å; D465-A522 PolarHBondContact O-N 3.22Å; V467-A522 HydrophobicContact CG2-CB 3.44Å; V467-A522 VanDerWaalsContact CG2-CB 3.44Å; A522-N524 PolarHBondContact O-N 2.79Å
523	V	96.8	Very high	93.4	Very high	29 Å²	29	45 Å²	45	18%	0.176	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	126.5	175.6	68.6	0	0	0	0	110.5	P415 Y461 Y464 K525	P415-V523 HydrophobicContact CB-CG1 4.31Å; P415-V523 WeakPolarHBondContact O-CG1 3.46Å; P415-V523 PolarHBondContact O-N 3.49Å; Y461-V523 VanDerWaalsContact CB-CG2 3.49Å; Y464-V523 HydrophobicContact CD1-CB 4.22Å; Y464-V523 VanDerWaalsContact CD1-N 3.31Å; Y464-V523 HydrophobicContact CE1-CB 3.81Å; Y464-V523 HydrophobicContact CE2-CB 4.43Å; Y464-V523 HydrophobicContact CE2-CG2 4.29Å; V523-K525 HydrophobicContact CG1-CG 4.43Å; V523-K525 PolarHBondContact O-N 3.09Å
524	N	94.5	Very high	92.8	Very high	29 Å²	29	46.8 Å²	46.8	16%	0.155	26%	0.262	C	S	.	.			trans	-86.9	106.9	175.8	-170.7	-16.5	0	0	0	109.5	T463 D465 A522 S526	T463-N524 PolarHBondContact O-N 2.95Å; D465-N524 PolarHBondContact OD2-ND2 3.16Å; A522-N524 PolarHBondContact O-N 2.79Å; N524-S526 VanDerWaalsContact C-N 3.28Å; N524-S526 PolarHBondContact O-N 3.2Å; N524-S526 PolarHBondContact OD1-N 2.67Å; N524-S526 PolarHBondContact OD1-OG 3.14Å
525	K	92.3	Very high	91.8	Very high	147 Å²	147	51.2 Å²	51.2	64%	0.639	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-7.7	-178.2	-62.2	-178.7	-178.2	176.9	0	113.9	Y461 V523 I527	Y461-K525 HydrophobicContact CD2-CG 4.3Å; Y461-K525 HydrophobicContact CE1-CB 4.34Å; Y461-K525 WeakPolarHBondContact CE1-O 3.48Å; Y461-K525 HydrophobicContact CE2-CB 4.44Å; Y461-K525 HydrophobicContact CE2-CG 4.3Å; V523-K525 HydrophobicContact CG1-CG 4.43Å; V523-K525 PolarHBondContact O-N 3.09Å; K525-I527 VanDerWaalsContact C-N 3.33Å
526	S	91.4	Very high	90.4	Very high	93 Å²	93	55.6 Å²	55.6	65%	0.65	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-18.1	175.8	71.1	0	0	0	0	112.7	N524 P528	N524-S526 VanDerWaalsContact C-N 3.28Å; N524-S526 PolarHBondContact O-N 3.2Å; N524-S526 PolarHBondContact OD1-N 2.67Å; N524-S526 PolarHBondContact OD1-OG 3.14Å; S526-P528 WeakPolarHBondContact O-CD 3.47Å
527	I	91.5	Very high	88.3	Confident	57 Å²	57	64.1 Å²	64.1	29%	0.292	36%	0.357	S	S	.	.	S	Bend	trans	-110	99.9	-178.1	-56.5	171.1	0	0	0	108.5	Y461 T463 K525	Y461-I527 WeakPolarHBondContact CD1-O 3.24Å; T463-I527 HydrophobicContact CG2-CB 4.41Å; T463-I527 HydrophobicContact CG2-CD1 3.78Å; T463-I527 HydrophobicContact CG2-CG2 4.42Å; K525-I527 VanDerWaalsContact C-N 3.33Å
528	P	90.4	Very high	85.8	Confident	88 Å²	88	69.2 Å²	69.2	57%	0.571	39%	0.387	S	S	*	.			trans	-69.5	147.3	177.1	29.4	-33.7	0	0	0	111.2	S526 P530	S526-P528 WeakPolarHBondContact O-CD 3.47Å; P528-P530 WeakPolarHBondContact O-CD 3.38Å
529	N	90.2	Very high	83	Confident	6 Å²	6	73.7 Å²	73.7	3%	0.032	42%	0.415	C	S	.	.			trans	-73.8	120.4	173.4	173	16.8	0	0	0	109.9	R456 H459 R460 T462 S531 F532	R456-N529 PolarHBondContact O-ND2 2.9Å; H459-N529 WeakPolarHBondContact O-CB 3.49Å; H459-N529 PolarHBondContact O-ND2 3.19Å; R460-N529 WeakPolarHBondContact O-CB 3.5Å; R460-N529 PolarHBondContact O-N 2.99Å; T462-N529 HydrophobicContact CG2-CB 4.17Å; N529-S531 PolarHBondContact O-N 2.68Å; N529-S531 PolarHBondContact OD1-N 2.94Å; N529-S531 VanDerWaalsContact OD1-N 3.07Å; N529-F532 HydrophobicContact CB-CB 4.44Å; N529-F532 WeakPolarHBondContact O-CB 3.26Å; N529-F532 PolarHBondContact O-N 3.05Å
530	P	88.3	Confident	80.5	Confident	117 Å²	117	81.4 Å²	81.4	76%	0.76	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.6	-178.6	26.4	-35.4	0	0	0	113.6	P528 F532	P528-P530 WeakPolarHBondContact O-CD 3.38Å; P530-F532 VanDerWaalsContact C-N 3.33Å
531	S	86.9	Confident	78	Confident	52 Å²	52	89.8 Å²	89.8	36%	0.364	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	1.3	179.4	-51.3	0	0	0	0	113.9	A457 N529 V533	A457-S531 VanDerWaalsContact CA-O 3.25Å; A457-S531 WeakPolarHBondContact CA-O 3.2Å; A457-S531 WeakPolarHBondContact CB-O 3.34Å; N529-S531 PolarHBondContact O-N 2.68Å; N529-S531 PolarHBondContact OD1-N 2.94Å; N529-S531 VanDerWaalsContact OD1-N 3.07Å; S531-V533 PolarHBondContact O-N 2.87Å
532	F	87.4	Confident	75.2	Confident	68 Å²	68	98.3 Å²	98.3	30%	0.298	54%	0.535	S	S	.	.			trans	-66.3	129.9	-175.8	177.1	-107.9	0	0	0	111.9	A457 R460 N529 P530 E534	A457-F532 WeakPolarHBondContact O-CA 3.49Å; A457-F532 VanDerWaalsContact O-CD2 3.25Å; A457-F532 WeakPolarHBondContact O-CD2 3.18Å; R460-F532 VanDerWaalsContact CA-CD2 3.47Å; R460-F532 HydrophobicContact CB-CD2 4.05Å; R460-F532 HydrophobicContact CB-CE2 3.97Å; R460-F532 HydrophobicContact CB-CG 4.38Å; R460-F532 HydrophobicContact CB-CZ 4.23Å; R460-F532 HydrophobicContact CG-CD1 4.43Å; R460-F532 HydrophobicContact CG-CE1 4.4Å; N529-F532 HydrophobicContact CB-CB 4.44Å; N529-F532 WeakPolarHBondContact O-CB 3.26Å; N529-F532 PolarHBondContact O-N 3.05Å; P530-F532 VanDerWaalsContact C-N 3.33Å; F532-E534 HydrophobicContact CE1-CB 4.09Å; F532-E534 HydrophobicContact CE1-CG 4.48Å
533	V	85.3	Confident	72.6	Confident	99 Å²	99	105.1 Å²	105.1	60%	0.6	57%	0.569	S	S	*	*			trans	-113.4	119.5	173.3	-178.6	0	0	0	0	107.8	A457 S531	A457-V533 HydrophobicContact CB-CB 4.43Å; A457-V533 HydrophobicContact CB-CG2 4.1Å; A457-V533 PolarHBondContact O-N 3.36Å; S531-V533 PolarHBondContact O-N 2.87Å
534	E	79.5	Confident	69.7	Low	144 Å²	144	112.1 Å²	112.1	67%	0.673	61%	0.606	S	S	*	*			trans	-66.7	129.1	178	-165.5	165.8	-165.1	0	0	109.4	F532 V536	F532-E534 HydrophobicContact CE1-CB 4.09Å; F532-E534 HydrophobicContact CE1-CG 4.48Å; E534-V536 PolarHBondContact O-N 3.04Å
535	P	75.5	Confident	66.9	Low	101 Å²	101	113.8 Å²	113.8	66%	0.656	63%	0.63	S	S	*	*			trans	-62.6	123.7	177.2	23.7	-31.4	0	0	0	109.2	K537	P535-K537 PolarHBondContact O-N 3.46Å
536	V	65.2	Low	64.4	Low	131 Å²	131	115.7 Å²	115.7	79%	0.794	64%	0.641	S	S	*	*			trans	-56.8	115.6	172.6	-178.4	0	0	0	0	107.5	E534 V538	E534-V536 PolarHBondContact O-N 3.04Å; V536-V538 PolarHBondContact O-N 2.98Å
537	K	51.6	Low	61.7	Low	179 Å²	179	117.7 Å²	117.7	78%	0.778	65%	0.65	S	S	*	*			trans	-69.7	101.2	170	-67.8	179.5	-176.6	173.9	0	106.4	P535 T539	P535-K537 PolarHBondContact O-N 3.46Å; K537-T539 PolarHBondContact O-N 3.18Å
538	V	45	Very low	58.8	Low	107 Å²	107	125 Å²	125	65%	0.648	68%	0.679	S	S	*	*			trans	-66.7	104.8	165	-176.7	0	0	0	0	105.7	V536	V536-V538 PolarHBondContact O-N 2.98Å
539	T	39.8	Very low	56.1	Low	94 Å²	94	126.7 Å²	126.7	58%	0.577	69%	0.69	S	S	*	*			trans	-68.8	134.4	162.1	40.6	0	0	0	0	107.1	K537 E541	K537-T539 PolarHBondContact O-N 3.18Å; T539-E541 PolarHBondContact O-N 3.1Å
540	D	45.6	Very low	53.3	Low	163 Å²	163	134.8 Å²	134.8	87%	0.872	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	29.2	-175.7	-66.6	-45.9	0	0	0	114.3
541	E	44.9	Very low	50.6	Low	175 Å²	175	139.5 Å²	139.5	82%	0.818	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	3.8	-171	-67.3	-170.8	163	0	0	115	T539	T539-E541 PolarHBondContact O-N 3.1Å
542	E	40	Very low	47.9	Very low	180 Å²	180	145.2 Å²	145.2	84%	0.841	76%	0.755	S	S	*	*			trans	-132.4	27.4	-175.5	-70.2	-172	159.3	0	0	116.1
543	I	41.9	Very low	45.1	Very low	148 Å²	148	147.8 Å²	147.8	76%	0.759	78%	0.776	S	S	*	*			trans	-115.1	68.6	172.1	-47.6	177.8	0	0	0	109.8
544	D	36.7	Very low	42.5	Very low	177 Å²	177	150.2 Å²	150.2	95%	0.947	79%	0.786	S	S	*	*			trans	-126.5	86.9	165.2	-128.1	7.5	0	0	0	107
545	G	36	Very low	40.3	Very low	64 Å²	64	152.6 Å²	152.6	66%	0.66	80%	0.797	S	S	*	*			trans	160.1	115.3	-179.1	0	0	0	0	0	113.1
546	E	38.7	Very low	38.4	Very low	187 Å²	187	155.3 Å²	155.3	87%	0.874	81%	0.806	S	S	*	*			trans	90.4	89.4	159.8	-56.8	-173.1	162.3	0	0	118.4
547	T	34.4	Very low	37	Very low	135 Å²	135	156.3 Å²	156.3	83%	0.828	81%	0.807	S	S	*	*			trans	52.1	100.7	130.8	36.4	0	0	0	0	120
548	K	30.7	Very low	36.2	Very low	211 Å²	211	156 Å²	156	92%	0.917	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-82.7	134.5	157.6	-75.9	-179.9	175.6	176.5	0	111.5
549	P	34.8	Very low	35.8	Very low	122 Å²	122	156.7 Å²	156.7	79%	0.792	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-97.2	138.5	151	28.9	-16.7	0	0	0	110.9
550	E	30.3	Very low	35.5	Very low	177 Å²	177	160 Å²	160	83%	0.827	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-70.6	137.4	178.3	-62	177.7	144.3	0	0	112.1
551	F	33	Very low	35	Very low	216 Å²	216	155.3 Å²	155.3	95%	0.947	81%	0.809	S	S	*	*			trans	-138.2	122.2	153.3	-113.7	-90.6	0	0	0	109.6
552	K	28.9	Very low	34.8	Very low	172 Å²	172	153 Å²	153	75%	0.748	80%	0.801	S	S	*	*			trans	-85.6	169	174.6	-74.3	176	173.7	172.3	0	110.6
553	T	30.1	Very low	34.6	Very low	122 Å²	122	154.5 Å²	154.5	75%	0.748	80%	0.799	S	S	*	*			trans	89.6	134.2	164.7	70.5	0	0	0	0	115.4
554	D	30.4	Very low	34.4	Very low	149 Å²	149	155 Å²	155	80%	0.797	80%	0.796	S	S	*	*			cis	-153.7	119.7	-6.3	-89.5	-31	0	0	0	107.1	N556	D554-N556 PolarHBondContact O-N 2.83Å
555	E	32.6	Very low	34.4	Very low	194 Å²	194	153.9 Å²	153.9	91%	0.907	79%	0.785	S	S	*	*			trans	-92.8	92	174.8	-73.7	-178.7	163.3	0	0	109
556	N	35.3	Very low	34.4	Very low	158 Å²	158	159 Å²	159	85%	0.845	79%	0.792	S	S	*	*			trans	-150.9	3.7	167.9	-95.4	-30.4	0	0	0	116.8	D554	D554-N556 PolarHBondContact O-N 2.83Å
557	D	36.2	Very low	34.2	Very low	153 Å²	153	154.4 Å²	154.4	82%	0.818	78%	0.776	S	S	*	*	S	Bend	trans	-115.4	1.7	-175.6	-80.8	-27.6	0	0	0	116.4
558	E	35.6	Very low	34.2	Very low	172 Å²	172	154.9 Å²	154.9	80%	0.804	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-2.7	-175.5	-75.7	-168.1	151.5	0	0	115.6
559	C	35.1	Very low	34.3	Very low	121 Å²	121	152.3 Å²	152.3	82%	0.818	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-7.6	-177	-86.8	0	0	0	0	115.6
560	E	34.9	Very low	34.2	Very low	164 Å²	164	151.5 Å²	151.5	77%	0.766	76%	0.76	S	S	*	*	S	Bend	trans	-100.3	-13.6	176.5	-88	-169.1	151.2	0	0	114.9
561	A	35.7	Very low	34	Very low	65 Å²	65	148.9 Å²	148.9	54%	0.537	75%	0.752	S	S	.	*	S	Bend	trans	-75.9	-27.7	179.1	0	0	0	0	0	113.4	R563 K564	A561-R563 VanDerWaalsContact C-N 3.3Å; A561-R563 PolarHBondContact O-N 3.48Å; A561-K564 PolarHBondContact O-N 3.35Å
562	I	39.5	Very low	34.1	Very low	126 Å²	126	145.8 Å²	145.8	65%	0.646	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-16.2	-175.3	-59.8	173.8	0	0	0	112.3
563	R	36.1	Very low	34.3	Very low	212 Å²	212	144.4 Å²	144.4	80%	0.8	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-8.8	175.7	-85.5	-178.6	176.7	160.9	0.4	114.7	A561	A561-R563 VanDerWaalsContact C-N 3.3Å; A561-R563 PolarHBondContact O-N 3.48Å
564	K	37.2	Very low	34.1	Very low	158 Å²	158	147.5 Å²	147.5	69%	0.687	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-16.6	-179.3	-71.1	-177.6	179.1	173.1	0	114	A561 T567	A561-K564 PolarHBondContact O-N 3.35Å; K564-T567 PolarHBondContact O-OG1 3.17Å; K564-T567 VanDerWaalsContact O-OG1 3.08Å
565	E	37.4	Very low	34	Very low	153 Å²	153	145.4 Å²	145.4	72%	0.715	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-77.4	-23	175.7	-75.3	-172.1	152	0	0	113.5	T567	E565-T567 PolarHBondContact O-N 3.3Å
566	E	36.1	Very low	33.9	Very low	173 Å²	173	144 Å²	144	81%	0.808	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-75.1	-6.3	177.3	-70.4	-170.7	149.6	0	0	114.2
567	T	34.6	Very low	33.5	Very low	89 Å²	89	148 Å²	148	55%	0.546	76%	0.762	S	S	.	*	G	3₁₀ helix	trans	-110	-0.8	-179.1	44.6	0	0	0	0	114.9	K564 E565	K564-T567 PolarHBondContact O-OG1 3.17Å; K564-T567 VanDerWaalsContact O-OG1 3.08Å; E565-T567 PolarHBondContact O-N 3.3Å
568	M	33	Very low	33.4	Very low	145 Å²	145	147.8 Å²	147.8	71%	0.714	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	-12.1	-180	-81.2	-176.5	62.7	0	0	114.9	T570	M568-T570 VanDerWaalsContact C-N 3.27Å; M568-T570 PolarHBondContact O-N 3.15Å
569	D	33.4	Very low	33.3	Very low	158 Å²	158	146.5 Å²	146.5	85%	0.845	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	8.1	178.6	-87.9	-17.5	0	0	0	114
570	T	32.1	Very low	33.2	Very low	104 Å²	104	147.9 Å²	147.9	64%	0.638	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	-6.4	176.6	41.2	0	0	0	0	115.6	M568	M568-T570 VanDerWaalsContact C-N 3.27Å; M568-T570 PolarHBondContact O-N 3.15Å
571	D	27.7	Very low	33	Very low	123 Å²	123	146.9 Å²	146.9	66%	0.658	75%	0.753	S	S	*	*	S	Bend	trans	-108.8	17	-166.7	-70.2	-3.5	0	0	0	115.4
572	I	35.3	Very low	32.9	Very low	150 Å²	150	152.1 Å²	152.1	77%	0.769	77%	0.767	S	S	*	*	S	Bend	trans	-102.4	3.9	177.5	-60.1	178	0	0	0	113.4
573	N	31.7	Very low	32.4	Very low	143 Å²	143	153.8 Å²	153.8	77%	0.765	78%	0.775	S	S	*	*	S	Bend	trans	-114.1	11.3	178.7	-91.2	-13.2	0	0	0	115.9
574	E	26.7	Very low	32.2	Very low	187 Å²	187	149.6 Å²	149.6	87%	0.874	77%	0.773	S	S	*	*			trans	-121.2	66.5	174.9	-72.5	-170.3	165	0	0	111.5
575	S	27.7	Very low	31.8	Very low	106 Å²	106	149 Å²	149	74%	0.741	78%	0.78	S	S	*	*	S	Bend	trans	-157	47.6	163.8	74.6	0	0	0	0	113.9
576	Q	30.6	Very low	31.3	Very low	164 Å²	164	148.7 Å²	148.7	77%	0.766	79%	0.785	S	S	*	*			trans	-154	103.3	151.1	-71.5	-156.9	-16	0	0	108.7
577	N	27.1	Very low	30.9	Very low	242 Å²	242	146.5 Å²	146.5	100%	1.294	78%	0.783	S	S	*	*			trans	-63.1	0	146.7	-95.1	-18.6	0	0	0	109.5

Retrieved 577 of 577 residues in 329 ms (Link to these results)

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