A0A096MXZ1_PAPAN Loading...

Serine/threonine-protein phosphatase PGAM5, mitochondrial

Mitochondrial serine/threonine phosphatase that dephosphorylates various substrates and thus plays a role in different biological processes including cellular senescence or mitophagy. Modulates cellular senescence by regulating mitochondrial dynamics. Mechanistically, participates in mitochondrial fission through dephosphorylating DNM1L/DRP1. Additionally, dephosphorylates MFN2 in a stress-sensitive manner and consequently protects it from ubiquitination and degradation to promote mitochondrial network formation. Regulates mitophagy independent of PARKIN by interacting with and dephosphorylating FUNDC1, which interacts with LC3. Regulates anti-oxidative response by forming a tertiary complex with KEAP1 and NRF2. Regulates necroptosis by acting as a RIPK3 target and recruiting the RIPK1-RIPK3-MLKL necrosis 'attack' complex to mitochondria.

AlphaFold DB , UniProt , Accession A0A096MXZ1, Species PAPAN (Papio anubis, Olive baboon), Gene PGAM5, Length 289 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.1	Very low	34.2	Very low	234 Å²	234	140 Å²	140	100%	1.153	77%	0.771	S	S	*	*				0	111.5	0	-57.3	-176.4	-74.6	0	0	105.7
2	A	32.5	Very low	33.7	Very low	91 Å²	91	139.6 Å²	139.6	75%	0.752	78%	0.782	S	S	*	*			cis	70.6	133.3	37.1	0	0	0	0	0	112.5
3	F	29	Very low	33.2	Very low	166 Å²	166	134.2 Å²	134.2	73%	0.728	78%	0.777	S	S	*	*			cis	-158.8	146.7	1.2	-140.5	-134.4	0	0	0	111.2
4	R	32.3	Very low	33.1	Very low	182 Å²	182	137.3 Å²	137.3	69%	0.687	79%	0.788	S	S	*	*			trans	36.4	135.2	144	-66.4	-173.7	-177.7	-170.6	1.9	123.8
5	Q	35.4	Very low	32.8	Very low	158 Å²	158	134.4 Å²	134.4	74%	0.738	79%	0.787	S	S	*	*				56.9	122.9	123.4	-61.3	175.5	-49.7	0	0	119.4
6	A	35.2	Very low	32.4	Very low	88 Å²	88	131.3 Å²	131.3	73%	0.727	79%	0.792	S	S	*	*				80.5	138.3	67.2	0	0	0	0	0	115.5
7	L	35	Very low	32	Very low	142 Å²	142	128.4 Å²	128.4	74%	0.743	80%	0.795	S	S	*	*				-173.5	132.6	127.5	-115.1	68.8	0	0	0	108
8	Q	34.2	Very low	32.1	Very low	158 Å²	158	128.6 Å²	128.6	74%	0.738	80%	0.803	S	S	*	*				62.7	147.3	98.2	-70	-173.8	-10.6	0	0	115.3
9	L	33.7	Very low	32	Very low	146 Å²	146	127.2 Å²	127.2	76%	0.764	81%	0.805	S	S	*	*			cis	-155.5	-173	-3.1	-112.4	166.6	0	0	0	106
10	A	33.7	Very low	31.9	Very low	87 Å²	87	125.4 Å²	125.4	72%	0.719	80%	0.802	S	S	*	*			cis	-164.4	169.1	3	0	0	0	0	0	106.7
11	A	32.7	Very low	31.9	Very low	88 Å²	88	126.4 Å²	126.4	73%	0.727	81%	0.806	S	S	*	*			cis	-165.7	-170.5	-23	0	0	0	0	0	108.8
12	C	28.2	Very low	31.2	Very low	135 Å²	135	121.4 Å²	121.4	91%	0.912	78%	0.784	S	S	*	*			trans	-45	160	178.5	-48.3	0	0	0	0	116.7
13	G	27.9	Very low	31	Very low	69 Å²	69	125.8 Å²	125.8	71%	0.711	79%	0.786	S	S	*	*			cis	146.7	163	-4.4	0	0	0	0	0	114.2
14	L	31.4	Very low	31	Very low	178 Å²	178	123.5 Å²	123.5	93%	0.932	79%	0.79	S	S	*	*			trans	61.4	130.4	161.2	-75.9	168.3	0	0	0	122.8
15	A	29.1	Very low	30.9	Very low	94 Å²	94	119.2 Å²	119.2	78%	0.777	79%	0.794	S	S	*	*			trans	72.1	103.4	134.3	0	0	0	0	0	122.5
16	G	25.9	Very low	30.6	Very low	84 Å²	84	118.5 Å²	118.5	87%	0.866	80%	0.8	S	S	*	*				83.9	163	114.4	0	0	0	0	0	120
17	G	25.1	Very low	30.6	Very low	82 Å²	82	118.9 Å²	118.9	85%	0.845	80%	0.803	S	S	*	*			trans	110.4	121.1	169.3	0	0	0	0	0	115
18	S	34.7	Very low	30.4	Very low	133 Å²	133	118.8 Å²	118.8	93%	0.93	81%	0.808	S	S	*	*			trans	-79.6	144.7	172.2	-50.2	0	0	0	0	111.5
19	A	30.3	Very low	30.2	Very low	101 Å²	101	115 Å²	115	84%	0.835	81%	0.811	S	S	*	*			trans	-137.7	134.5	161.2	0	0	0	0	0	109.6
20	A	29.5	Very low	30.2	Very low	91 Å²	91	117.7 Å²	117.7	75%	0.752	82%	0.817	S	S	*	*			trans	-89.6	150.7	179.5	0	0	0	0	0	111.4
21	V	31.4	Very low	30.6	Very low	147 Å²	147	118.8 Å²	118.8	89%	0.891	82%	0.817	S	S	*	*			trans	-109.8	132.8	162.4	-178.7	0	0	0	0	107.6
22	L	28.1	Very low	30.4	Very low	130 Å²	130	126.6 Å²	126.6	68%	0.681	83%	0.827	S	S	*	*			trans	-128.7	156.7	-173.2	-100.1	170.4	0	0	0	110.8
23	F	27.4	Very low	30.9	Very low	183 Å²	183	125.3 Å²	125.3	80%	0.803	83%	0.827	S	S	*	*			trans	69.4	150	177.5	-52.7	-72.3	0	0	0	115.4
24	S	29.4	Very low	31.1	Very low	117 Å²	117	125.8 Å²	125.8	82%	0.818	83%	0.832	S	S	*	*			cis	-123.2	153.9	7.4	-71.5	0	0	0	0	113
25	A	31.1	Very low	31.2	Very low	93 Å²	93	120.9 Å²	120.9	77%	0.769	82%	0.823	S	S	*	*			trans	-95	154.2	172.2	0	0	0	0	0	111.8
26	V	27.9	Very low	31.6	Very low	143 Å²	143	125 Å²	125	87%	0.867	83%	0.833	S	S	*	*			trans	-123.6	124.3	156.8	177.5	0	0	0	0	107
27	A	35.1	Very low	32.5	Very low	95 Å²	95	125.3 Å²	125.3	79%	0.785	83%	0.827	S	S	*	*			trans	-121.8	125.8	-177.7	0	0	0	0	0	110.4
28	V	32.2	Very low	33.4	Very low	141 Å²	141	130.1 Å²	130.1	86%	0.855	83%	0.827	S	S	*	*			trans	-142.8	130.3	173.1	-178.2	0	0	0	0	109.1
29	G	29.4	Very low	33.7	Very low	77 Å²	77	129.6 Å²	129.6	79%	0.794	82%	0.821	S	S	*	*			trans	93.4	113.1	162.3	0	0	0	0	0	116.9
30	K	33	Very low	34.4	Very low	204 Å²	204	136 Å²	136	89%	0.887	82%	0.823	S	S	*	*			trans	-149.9	159.3	166.1	-141.1	-172.1	-173.9	-174	0	107.3
31	P	42	Very low	35.2	Very low	110 Å²	110	137.5 Å²	137.5	71%	0.714	83%	0.825	S	S	*	*				-118.1	-178.3	-63.4	36.4	-24.9	0	0	0	111.6
32	R	30.3	Very low	35.9	Very low	251 Å²	251	135 Å²	135	95%	0.947	82%	0.821	S	S	*	*			trans	-131.4	140.7	151.2	-84	-172	168.6	171.6	-3.2	109.8
33	A	38.8	Very low	36.7	Very low	109 Å²	109	136.1 Å²	136.1	90%	0.901	82%	0.822	S	S	*	*			trans	-91.6	154.2	-177.5	0	0	0	0	0	111.6
34	G	31.5	Very low	37.6	Very low	79 Å²	79	131.9 Å²	131.9	81%	0.814	81%	0.813	S	S	*	*			trans	179	80.8	177.9	0	0	0	0	0	114.7
35	G	32.9	Very low	38.3	Very low	74 Å²	74	129.8 Å²	129.8	76%	0.763	80%	0.797	S	S	*	*			trans	65.7	101.7	155.7	0	0	0	0	0	118.1	A37	G35-A37 PolarHBondContact O-N 3.32Å; G35-A37 VanDerWaalsContact O-N 3.11Å
36	D	37.8	Very low	38.9	Very low	181 Å²	181	129.5 Å²	129.5	97%	0.968	80%	0.795	S	S	*	*			trans	-66.4	106.5	160.6	-64.3	-62.3	0	0	0	109.9
37	A	44	Very low	39.9	Very low	90 Å²	90	133.1 Å²	133.1	74%	0.744	79%	0.793	S	S	*	*			trans	-109.3	114.4	165.9	0	0	0	0	0	108	G35	G35-A37 PolarHBondContact O-N 3.32Å; G35-A37 VanDerWaalsContact O-N 3.11Å
38	E	44.1	Very low	40.4	Very low	183 Å²	183	130.6 Å²	130.6	86%	0.855	77%	0.772	S	S	*	*			trans	-56.6	136.6	174.6	-73.1	-166.6	134.4	0	0	110.4	R40	E38-R40 PolarHBondContact O-N 2.84Å
39	P	42.1	Very low	41.2	Very low	123 Å²	123	126.5 Å²	126.5	80%	0.799	76%	0.758	S	S	*	*			trans	-66	106.6	173.6	27.8	-32.8	0	0	0	108.6
40	R	45.3	Very low	42.5	Very low	234 Å²	234	126.3 Å²	126.3	88%	0.883	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-48.9	130.6	173.6	-77.6	-176.7	172.9	178.5	-2.3	109.2	E38 A42	E38-R40 PolarHBondContact O-N 2.84Å; R40-A42 PolarHBondContact O-N 2.72Å
41	P	45.7	Very low	43.7	Very low	123 Å²	123	121.5 Å²	121.5	80%	0.799	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-58.4	130.8	176.4	24.9	-33.5	0	0	0	108.9	E43	P41-E43 PolarHBondContact O-N 3.17Å
42	A	45.4	Very low	44.7	Very low	96 Å²	96	125.8 Å²	125.8	79%	0.793	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-61.3	124.8	-179.9	0	0	0	0	0	109.7	R40	R40-A42 PolarHBondContact O-N 2.72Å
43	E	44.9	Very low	46.7	Very low	152 Å²	152	116 Å²	116	71%	0.71	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-56.4	130.8	172.4	-74.7	-167.5	172.6	0	0	109.3	P41 R74	P41-E43 PolarHBondContact O-N 3.17Å; E43-R74 IonicContact OE2-NH2 2.98Å; E43-R74 PolarHBondContact OE2-NH2 3.16Å
44	P	46.1	Very low	48.5	Very low	95 Å²	95	112.8 Å²	112.8	62%	0.617	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-61.9	136.1	176.4	26.1	-33.5	0	0	0	109.5	A48	P44-A48 HydrophobicContact CB-CB 4.1Å
45	P	43.8	Very low	50.7	Low	73 Å²	73	115.9 Å²	115.9	47%	0.474	71%	0.709	S	S	.	*	P	Polyproline II helix	trans	-62.4	144.6	-176.4	26.9	-36	0	0	0	110.5	W47 A48	P45-W47 HydrophobicContact CG-CZ2 4.07Å; P45-W47 VanDerWaalsContact CG-NE1 3.33Å; P45-W47 PolarHBondContact O-N 2.86Å; P45-A48 WeakPolarHBondContact O-CB 3.29Å; P45-A48 PolarHBondContact O-N 3.48Å
46	A	43.8	Very low	53.3	Low	87 Å²	87	116.8 Å²	116.8	72%	0.719	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	1.3	-165.9	0	0	0	0	0	117.4
47	W	49.4	Very low	56	Low	219 Å²	219	112.8 Å²	112.8	83%	0.83	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-18.6	167.3	63.1	-99.5	0	0	0	113	P45 G49	P45-W47 HydrophobicContact CG-CZ2 4.07Å; P45-W47 VanDerWaalsContact CG-NE1 3.33Å; P45-W47 PolarHBondContact O-N 2.86Å; W47-G49 PolarHBondContact O-N 3.46Å; W47-G49 VanDerWaalsContact O-N 3.08Å
48	A	46.8	Very low	58.5	Low	41 Å²	41	112.8 Å²	112.8	34%	0.339	68%	0.681	S	S	.	*	S	Bend	trans	-72.8	94.1	165.3	0	0	0	0	0	108.2	P44 P45	P44-A48 HydrophobicContact CB-CB 4.1Å; P45-A48 WeakPolarHBondContact O-CB 3.29Å; P45-A48 PolarHBondContact O-N 3.48Å
49	G	48	Very low	61	Low	55 Å²	55	105.9 Å²	105.9	57%	0.567	65%	0.65	S	S	*	*			trans	-54.1	157.4	168.7	0	0	0	0	0	111.4	W47	W47-G49 PolarHBondContact O-N 3.46Å; W47-G49 VanDerWaalsContact O-N 3.08Å
50	G	56.3	Low	63.5	Low	73 Å²	73	103.5 Å²	103.5	75%	0.753	63%	0.634	S	S	*	*	S	Bend	trans	-44.9	144	-171.6	0	0	0	0	0	114	R52	G50-R52 PolarHBondContact O-N 3.03Å; G50-R52 VanDerWaalsContact O-N 3.12Å
51	A	57.9	Low	65.9	Low	104 Å²	104	93.9 Å²	93.9	86%	0.86	60%	0.6	S	S	*	*			trans	-42	116.9	-168.9	0	0	0	0	0	112.2
52	R	62.7	Low	68.3	Low	199 Å²	199	89 Å²	89	75%	0.751	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-57.8	145.8	178.9	-65.5	-170.7	-167.3	171.5	8.2	109.5	G50	G50-R52 PolarHBondContact O-N 3.03Å; G50-R52 VanDerWaalsContact O-N 3.12Å
53	P	74.2	Confident	70.8	Confident	46 Å²	46	85.3 Å²	85.3	30%	0.299	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-56.6	154.8	174.2	-13	21.2	0	0	0	111.8	V57 W58 D59	P53-V57 HydrophobicContact CB-CB 3.66Å; P53-V57 HydrophobicContact CB-CG1 3.76Å; P53-W58 WeakPolarHBondContact CG-O 3.33Å; P53-D59 HydrophobicContact CG-CB 3.94Å
54	G	75.7	Confident	73.1	Confident	42 Å²	42	85.8 Å²	85.8	43%	0.433	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-62.2	160	171.5	0	0	0	0	0	112.2	G56 V57	G54-G56 PolarHBondContact O-N 3.13Å; G54-V57 WeakPolarHBondContact O-CB 3.42Å; G54-V57 PolarHBondContact O-N 3.29Å
55	P	78.3	Confident	75.3	Confident	144 Å²	144	85 Å²	85	94%	0.935	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	131.8	178.5	-27.3	35.3	0	0	0	112.6	V57	P55-V57 VanDerWaalsContact C-N 3.33Å
56	G	87.3	Confident	77.6	Confident	92 Å²	92	83.7 Å²	83.7	95%	0.948	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	-4.4	-178.1	0	0	0	0	0	115.7	G54	G54-G56 PolarHBondContact O-N 3.13Å
57	V	95.3	Very high	79.7	Confident	98 Å²	98	80.5 Å²	80.5	59%	0.594	47%	0.472	S	S	*	.	S	Bend	trans	-96.7	137.1	173.4	-175.7	0	0	0	0	110.2	P53 G54 P55 D59	P53-V57 HydrophobicContact CB-CB 3.66Å; P53-V57 HydrophobicContact CB-CG1 3.76Å; G54-V57 WeakPolarHBondContact O-CB 3.42Å; G54-V57 PolarHBondContact O-N 3.29Å; P55-V57 VanDerWaalsContact C-N 3.33Å; V57-D59 PolarHBondContact O-N 3.4Å
58	W	96.3	Very high	81.5	Confident	89 Å²	89	74.2 Å²	74.2	34%	0.337	45%	0.454	S	S	.	.			trans	-64.4	128.5	-179.9	174.9	-83.9	0	0	0	112.6	P53 P60 W62 A241 Q243 V270	P53-W58 WeakPolarHBondContact CG-O 3.33Å; W58-P60 WeakPolarHBondContact O-CD 3.36Å; W58-W62 AromaticContact CZ2-CD1 3.79Å; W58-W62 AromaticContact CZ2-NE1 3.76Å; W58-A241 WeakPolarHBondContact CH2-O 3.46Å; W58-Q243 HydrophobicContact CD2-CG 4.48Å; W58-Q243 VanDerWaalsContact CE2-NE2 3.31Å; W58-Q243 HydrophobicContact CE3-CB 4.07Å; W58-Q243 VanDerWaalsContact CE3-CD 3.43Å; W58-Q243 HydrophobicContact CE3-CG 3.81Å; W58-Q243 HydrophobicContact CH2-CG 4.06Å; W58-Q243 HydrophobicContact CZ3-CB 4.05Å; W58-Q243 HydrophobicContact CZ3-CG 3.58Å; W58-V270 HydrophobicContact CH2-CB 4.02Å; W58-V270 HydrophobicContact CH2-CG2 4.02Å; W58-V270 HydrophobicContact CZ2-CG2 4.49Å
59	D	96.6	Very high	83.4	Confident	39 Å²	39	74.9 Å²	74.9	21%	0.209	46%	0.457	C	S	.	.			trans	-82.4	111.1	171.9	-176.4	-4	0	0	0	110.9	P53 V57 N61 W62 Q243	P53-D59 HydrophobicContact CG-CB 3.94Å; V57-D59 PolarHBondContact O-N 3.4Å; D59-N61 PolarHBondContact O-N 3.03Å; D59-N61 WeakPolarHBondContact OD1-CA 3.33Å; D59-N61 PolarHBondContact OD1-N 3.29Å; D59-W62 HydrophobicContact CB-CB 4.29Å; D59-W62 VanDerWaalsContact O-CD1 3.29Å; D59-W62 PolarHBondContact OD1-N 3.34Å; D59-Q243 PolarHBondContact O-NE2 3.39Å
60	P	94.8	Very high	85.2	Confident	72 Å²	72	75.8 Å²	75.8	47%	0.468	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-8.5	177.2	32.5	-36.1	0	0	0	113.5	W58 R214	W58-P60 WeakPolarHBondContact O-CD 3.36Å; P60-R214 PolarHBondContact O-NH2 3.44Å
61	N	95.8	Very high	86.5	Confident	32 Å²	32	73.4 Å²	73.4	17%	0.171	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	27.8	-179.5	-161.4	19.4	0	0	0	113.1	D59 D63 R64 R65 E66 S69	D59-N61 PolarHBondContact O-N 3.03Å; D59-N61 WeakPolarHBondContact OD1-CA 3.33Å; D59-N61 PolarHBondContact OD1-N 3.29Å; N61-D63 PolarHBondContact O-N 3.45Å; N61-R64 PolarHBondContact O-N 3.46Å; N61-R64 VanDerWaalsContact OD1-C 3.3Å; N61-R64 WeakPolarHBondContact OD1-CA 3.49Å; N61-R64 PolarHBondContact OD1-N 2.91Å; N61-R65 PolarHBondContact OD1-N 3.3Å; N61-E66 HydrophobicContact CB-CB 3.78Å; N61-E66 WeakPolarHBondContact OD1-CB 3.2Å; N61-E66 PolarHBondContact OD1-N 2.89Å; N61-S69 WeakPolarHBondContact ND2-CB 3.32Å; N61-S69 PolarHBondContact ND2-OG 2.64Å
62	W	96.1	Very high	87.5	Confident	21 Å²	21	73.6 Å²	73.6	8%	0.08	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-29.7	-180	63.9	-91.4	0	0	0	114.6	W58 D59 F208 I212 I264 G268 V270	W58-W62 AromaticContact CZ2-CD1 3.79Å; W58-W62 AromaticContact CZ2-NE1 3.76Å; D59-W62 HydrophobicContact CB-CB 4.29Å; D59-W62 VanDerWaalsContact O-CD1 3.29Å; D59-W62 PolarHBondContact OD1-N 3.34Å; W62-F208 HydrophobicContact CE3-CE1 4.08Å; W62-F208 AromaticContact CE3-CZ 3.65Å; W62-F208 HydrophobicContact CE3-CZ 3.65Å; W62-F208 HydrophobicContact CH2-CZ 4.41Å; W62-F208 AromaticContact CZ3-CE1 3.98Å; W62-F208 HydrophobicContact CZ3-CE1 3.98Å; W62-F208 HydrophobicContact CZ3-CE2 4.04Å; W62-F208 AromaticContact CZ3-CZ 3.36Å; W62-F208 HydrophobicContact CZ3-CZ 3.36Å; W62-I212 HydrophobicContact CH2-CG2 4.11Å; W62-I212 WeakPolarHBondContact CH2-O 3.3Å; W62-I212 HydrophobicContact CZ3-CG2 4.42Å; W62-I212 VanDerWaalsContact CZ3-O 3.23Å; W62-I212 WeakPolarHBondContact CZ3-O 3.48Å; W62-I264 HydrophobicContact CZ2-CG2 4.28Å; W62-G268 PolarHBondContact NE1-O 2.8Å; W62-V270 HydrophobicContact CH2-CG2 4.4Å; W62-V270 HydrophobicContact CZ2-CG2 3.62Å
63	D	95.9	Very high	87.8	Confident	18 Å²	18	68.7 Å²	68.7	10%	0.096	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-1.5	178.8	64.5	-13.3	0	0	0	114.2	N61 R65 H213 R214	N61-D63 PolarHBondContact O-N 3.45Å; D63-R65 VanDerWaalsContact C-N 3.3Å; D63-R65 PolarHBondContact O-N 2.85Å; D63-R65 PolarHBondContact OD1-N 3.27Å; D63-H213 HydrophobicContact CB-CB 3.74Å; D63-R214 IonicContact OD1-CZ 3.33Å; D63-R214 IonicContact OD1-NE 3.15Å; D63-R214 PolarHBondContact OD1-NE 3.47Å; D63-R214 VanDerWaalsContact OD1-NE 3.15Å; D63-R214 IonicContact OD1-NH2 2.7Å; D63-R214 PolarHBondContact OD1-NH2 2.87Å; D63-R214 WeakPolarHBondContact OD2-CB 3.4Å; D63-R214 VanDerWaalsContact OD2-CG 3.29Å; D63-R214 WeakPolarHBondContact OD2-CG 3.48Å; D63-R214 IonicContact OD2-CZ 3.76Å; D63-R214 PolarHBondContact OD2-N 3.1Å; D63-R214 IonicContact OD2-NE 2.89Å; D63-R214 PolarHBondContact OD2-NE 2.93Å; D63-R214 IonicContact OD2-NH2 3.75Å
64	R	93.6	Very high	87.4	Confident	162 Å²	162	75.3 Å²	75.3	61%	0.611	41%	0.412	S	S	*	.	S	Bend	trans	57.8	35.1	-175.3	-54.5	-175.1	-175.9	176.4	2.7	114.1	N61	N61-R64 PolarHBondContact O-N 3.46Å; N61-R64 VanDerWaalsContact OD1-C 3.3Å; N61-R64 WeakPolarHBondContact OD1-CA 3.49Å; N61-R64 PolarHBondContact OD1-N 2.91Å
65	R	92.8	Very high	86.7	Confident	80 Å²	80	81.2 Å²	81.2	30%	0.302	43%	0.426	S	S	.	.			trans	-125	16.3	179.7	-63.6	178.3	-176	-112.3	6.7	113.8	N61 D63 H213 R214 D216	N61-R65 PolarHBondContact OD1-N 3.3Å; D63-R65 VanDerWaalsContact C-N 3.3Å; D63-R65 PolarHBondContact O-N 2.85Å; D63-R65 PolarHBondContact OD1-N 3.27Å; R65-H213 PolarHBondContact NE-ND1 3.03Å; R65-H213 PolarHBondContact NH2-CE1 2.92Å; R65-H213 PolarHBondContact NH2-NE2 2.85Å; R65-R214 HydrophobicContact CB-CG 3.84Å; R65-R214 WeakPolarHBondContact O-CD 3.39Å; R65-D216 IonicContact NH1-OD2 3.71Å
66	E	91.6	Very high	85.7	Confident	45 Å²	45	80.1 Å²	80.1	21%	0.21	40%	0.403	C	S	.	.			trans	-68	129.8	170.6	-174	-71.4	127.4	0	0	109.9	N61 L68 S69 L70	N61-E66 HydrophobicContact CB-CB 3.78Å; N61-E66 WeakPolarHBondContact OD1-CB 3.2Å; N61-E66 PolarHBondContact OD1-N 2.89Å; E66-L68 VanDerWaalsContact CD-N 3.3Å; E66-L68 PolarHBondContact O-N 3.35Å; E66-L68 WeakPolarHBondContact OE1-CB 3.39Å; E66-L68 PolarHBondContact OE1-N 3Å; E66-L68 WeakPolarHBondContact OE2-CB 3.38Å; E66-L68 PolarHBondContact OE2-N 3.31Å; E66-L68 VanDerWaalsContact OE2-N 3.16Å; E66-S69 PolarHBondContact O-N 3.06Å; E66-S69 VanDerWaalsContact O-N 3.14Å; E66-S69 PolarHBondContact O-OG 3.34Å; E66-S69 PolarHBondContact OE2-N 3.19Å; E66-L70 PolarHBondContact O-N 3.45Å
67	P	88.8	Confident	84.2	Confident	20 Å²	20	80.9 Å²	80.9	13%	0.13	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-40.7	-170.5	-30.5	37.7	0	0	0	116.9	S69 L70 I71 L89 K93	P67-S69 VanDerWaalsContact C-N 3.29Å; P67-S69 PolarHBondContact O-N 3.23Å; P67-L70 PolarHBondContact O-N 3.3Å; P67-I71 WeakPolarHBondContact O-CG1 3.43Å; P67-L89 HydrophobicContact CB-CD2 3.74Å; P67-K93 HydrophobicContact CG-CB 4.33Å
68	L	86.9	Confident	82.4	Confident	86 Å²	86	83.3 Å²	83.3	45%	0.45	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-62.1	-39.6	177.4	-70.8	158.6	0	0	0	110.9	E66 L70 I71 L89	E66-L68 VanDerWaalsContact CD-N 3.3Å; E66-L68 PolarHBondContact O-N 3.35Å; E66-L68 WeakPolarHBondContact OE1-CB 3.39Å; E66-L68 PolarHBondContact OE1-N 3Å; E66-L68 WeakPolarHBondContact OE2-CB 3.38Å; E66-L68 PolarHBondContact OE2-N 3.31Å; E66-L68 VanDerWaalsContact OE2-N 3.16Å; L68-L70 PolarHBondContact O-N 2.9Å; L68-I71 PolarHBondContact O-N 3.13Å; L68-I71 VanDerWaalsContact O-N 3.15Å; L68-L89 HydrophobicContact CD2-CD1 4.26Å; L68-L89 HydrophobicContact CD2-CD2 3.75Å; L68-L89 HydrophobicContact CG-CD2 3.77Å
69	S	86.5	Confident	80.6	Confident	55 Å²	55	88.6 Å²	88.6	39%	0.385	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-67.1	-13.4	178.2	78.6	0	0	0	0	114.9	N61 E66 P67	N61-S69 WeakPolarHBondContact ND2-CB 3.32Å; N61-S69 PolarHBondContact ND2-OG 2.64Å; E66-S69 PolarHBondContact O-N 3.06Å; E66-S69 VanDerWaalsContact O-N 3.14Å; E66-S69 PolarHBondContact O-OG 3.34Å; E66-S69 PolarHBondContact OE2-N 3.19Å; P67-S69 VanDerWaalsContact C-N 3.29Å; P67-S69 PolarHBondContact O-N 3.23Å
70	L	85.8	Confident	78.8	Confident	75 Å²	75	89.5 Å²	89.5	39%	0.393	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-94.5	-9.8	175.8	-62.1	176	0	0	0	113.1	E66 P67 L68 Y92	E66-L70 PolarHBondContact O-N 3.45Å; P67-L70 PolarHBondContact O-N 3.3Å; L68-L70 PolarHBondContact O-N 2.9Å; L70-Y92 HydrophobicContact CB-CD1 4.15Å; L70-Y92 HydrophobicContact CB-CD2 4.23Å; L70-Y92 HydrophobicContact CB-CE1 4.42Å; L70-Y92 HydrophobicContact CB-CE2 4.49Å; L70-Y92 HydrophobicContact CB-CG 4.06Å; L70-Y92 HydrophobicContact CD1-CD1 3.77Å; L70-Y92 HydrophobicContact CD1-CE1 4.49Å; L70-Y92 HydrophobicContact CD1-CG 4.07Å
71	I	84.3	Confident	77.3	Confident	22 Å²	22	86.4 Å²	86.4	11%	0.113	42%	0.419	C	S	.	.	S	Bend	trans	-102	123.1	-174.9	-63.8	168.7	0	0	0	110.7	P67 L68 L73 L85 K88 L89 Y92	P67-I71 WeakPolarHBondContact O-CG1 3.43Å; L68-I71 PolarHBondContact O-N 3.13Å; L68-I71 VanDerWaalsContact O-N 3.15Å; I71-L73 HydrophobicContact CG2-CD2 4.1Å; I71-L73 PolarHBondContact O-N 3.48Å; I71-L85 HydrophobicContact CD1-CD1 3.96Å; I71-L85 HydrophobicContact CG2-CD1 3.97Å; I71-K88 HydrophobicContact CD1-CB 3.8Å; I71-K88 HydrophobicContact CG1-CB 4.29Å; I71-L89 HydrophobicContact CD1-CB 4.42Å; I71-L89 HydrophobicContact CD1-CD2 3.57Å; I71-L89 HydrophobicContact CD1-CG 3.71Å; I71-Y92 HydrophobicContact CD1-CD2 4.36Å; I71-Y92 HydrophobicContact CG1-CD2 3.85Å; I71-Y92 HydrophobicContact CG1-CE2 4.11Å
72	N	78	Confident	75.9	Confident	108 Å²	108	92.4 Å²	92.4	58%	0.578	45%	0.446	S	S	*	.			trans	-76	91.1	174.4	-172	-16.8	0	0	0	111.3	R74 K75	N72-R74 PolarHBondContact O-N 3.19Å; N72-R74 VanDerWaalsContact O-N 3.12Å; N72-R74 WeakPolarHBondContact OD1-CB 3.4Å; N72-R74 PolarHBondContact OD1-N 2.89Å; N72-R74 VanDerWaalsContact OD1-N 3.14Å; N72-K75 PolarHBondContact O-N 3.04Å
73	L	69.7	Low	74.4	Confident	97 Å²	97	99.5 Å²	99.5	51%	0.508	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-62.1	-15.2	-179.1	-61.8	175.4	0	0	0	114.5	I71 K75 L85	I71-L73 HydrophobicContact CG2-CD2 4.1Å; I71-L73 PolarHBondContact O-N 3.48Å; L73-K75 PolarHBondContact O-N 3.16Å; L73-L85 HydrophobicContact CD2-CD1 4.07Å
74	R	66.3	Low	73.5	Confident	185 Å²	185	101.8 Å²	101.8	70%	0.698	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-74.9	-1.6	179	-64.3	-175.5	170.8	-170.6	-6.6	114.1	E43 N72	E43-R74 IonicContact OE2-NH2 2.98Å; E43-R74 PolarHBondContact OE2-NH2 3.16Å; N72-R74 PolarHBondContact O-N 3.19Å; N72-R74 VanDerWaalsContact O-N 3.12Å; N72-R74 WeakPolarHBondContact OD1-CB 3.4Å; N72-R74 PolarHBondContact OD1-N 2.89Å; N72-R74 VanDerWaalsContact OD1-N 3.14Å
75	K	59.5	Low	72.8	Confident	166 Å²	166	95.5 Å²	95.5	72%	0.722	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-111.6	30.4	176.7	-70	-167.8	171.9	-170.3	0	113.6	N72 L73	N72-K75 PolarHBondContact O-N 3.04Å; L73-K75 PolarHBondContact O-N 3.16Å
76	R	58.1	Low	72.2	Confident	121 Å²	121	94.5 Å²	94.5	46%	0.457	48%	0.477	S	S	.	.			trans	-86.5	114.7	-175.5	-157.5	171.9	-170.3	-163.1	-6.1	110.7	G81	R76-G81 VanDerWaalsContact CZ-O 3.24Å; R76-G81 PolarHBondContact NE-O 3.35Å; R76-G81 PolarHBondContact NH2-O 3.39Å
77	N	54.7	Low	71.8	Confident	108 Å²	108	96.4 Å²	96.4	58%	0.578	50%	0.495	S	S	*	.			trans	-67.7	142.3	168.5	-84.3	-9.1	0	0	0	109.9	G81	N77-G81 WeakPolarHBondContact O-CA 3.38Å; N77-G81 PolarHBondContact O-N 3.1Å
78	V	58.4	Low	71.5	Confident	148 Å²	148	99.1 Å²	99.1	90%	0.897	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-30	-171.4	-175	0	0	0	0	112.2
79	E	59.1	Low	71.5	Confident	201 Å²	201	97.2 Å²	97.2	94%	0.939	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-25.3	-172.2	-60.9	175.7	147.6	0	0	114
80	S	59.2	Low	71.4	Confident	58 Å²	58	98.4 Å²	98.4	41%	0.406	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-1.1	-177.9	61.4	0	0	0	0	114.3	E82 E84	S80-E82 VanDerWaalsContact C-N 3.26Å; S80-E82 PolarHBondContact O-N 2.97Å; S80-E84 WeakPolarHBondContact O-CB 3.32Å; S80-E84 PolarHBondContact O-N 3.42Å; S80-E84 PolarHBondContact OG-OE2 3.01Å
81	G	61.6	Low	71.4	Confident	7 Å²	7	101.3 Å²	101.3	7%	0.072	51%	0.509	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-1.4	-155.3	0	0	0	0	0	117.7	R76 N77 L85	R76-G81 VanDerWaalsContact CZ-O 3.24Å; R76-G81 PolarHBondContact NE-O 3.35Å; R76-G81 PolarHBondContact NH2-O 3.39Å; N77-G81 WeakPolarHBondContact O-CA 3.38Å; N77-G81 PolarHBondContact O-N 3.1Å; G81-L85 WeakPolarHBondContact O-CB 3.41Å
82	E	66.7	Low	71.5	Confident	157 Å²	157	105 Å²	105	73%	0.734	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-58.3	-178.7	-59.4	-149.7	134.9	0	0	112.8	S80 E84 L85 A86	S80-E82 VanDerWaalsContact C-N 3.26Å; S80-E82 PolarHBondContact O-N 2.97Å; E82-E84 PolarHBondContact O-N 3.47Å; E82-L85 PolarHBondContact O-N 2.79Å; E82-A86 PolarHBondContact O-N 2.98Å
83	E	65.4	Low	72.1	Confident	170 Å²	170	105.2 Å²	105.2	79%	0.794	52%	0.517	S	S	*	.	H	α-helix	trans	-59	-38.9	172.4	-69.5	-169.4	129.6	0	0	111.6	L85 A86 S87	E83-L85 VanDerWaalsContact C-N 3.27Å; E83-L85 PolarHBondContact O-N 2.77Å; E83-A86 PolarHBondContact O-N 3.4Å; E83-S87 WeakPolarHBondContact O-CB 3.16Å; E83-S87 PolarHBondContact O-N 2.81Å
84	E	77.1	Confident	73.3	Confident	67 Å²	67	101 Å²	101	31%	0.313	50%	0.497	S	S	.	.	H	α-helix	trans	-63.5	-32.1	176.6	-161.9	-167.1	157.4	0	0	112.2	S80 E82 K88	S80-E84 WeakPolarHBondContact O-CB 3.32Å; S80-E84 PolarHBondContact O-N 3.42Å; S80-E84 PolarHBondContact OG-OE2 3.01Å; E82-E84 PolarHBondContact O-N 3.47Å; E84-K88 WeakPolarHBondContact O-CB 3.35Å; E84-K88 VanDerWaalsContact O-CD 3.3Å; E84-K88 WeakPolarHBondContact O-CD 3.36Å; E84-K88 WeakPolarHBondContact O-CG 3.44Å; E84-K88 PolarHBondContact O-N 3.11Å; E84-K88 WeakPolarHBondContact OE1-CE 3.4Å; E84-K88 IonicContact OE1-NZ 2.59Å; E84-K88 PolarHBondContact OE1-NZ 3.27Å
85	L	79.1	Confident	74.7	Confident	29 Å²	29	97.5 Å²	97.5	15%	0.152	49%	0.487	C	S	.	.	H	α-helix	trans	-77.7	-42.7	173.8	-179.7	62.7	0	0	0	111.4	I71 L73 G81 E82 E83 S87 K88 L89	I71-L85 HydrophobicContact CD1-CD1 3.96Å; I71-L85 HydrophobicContact CG2-CD1 3.97Å; L73-L85 HydrophobicContact CD2-CD1 4.07Å; G81-L85 WeakPolarHBondContact O-CB 3.41Å; E82-L85 PolarHBondContact O-N 2.79Å; E83-L85 VanDerWaalsContact C-N 3.27Å; E83-L85 PolarHBondContact O-N 2.77Å; L85-S87 VanDerWaalsContact C-N 3.34Å; L85-S87 PolarHBondContact O-N 2.82Å; L85-K88 PolarHBondContact O-N 2.9Å; L85-L89 HydrophobicContact CD1-CD1 4.28Å; L85-L89 HydrophobicContact CD1-CG 4.21Å; L85-L89 HydrophobicContact CD2-CD1 4.49Å; L85-L89 HydrophobicContact CG-CD1 3.92Å; L85-L89 HydrophobicContact CG-CG 4.32Å; L85-L89 WeakPolarHBondContact O-CB 3.43Å; L85-L89 WeakPolarHBondContact O-CG 3.09Å; L85-L89 PolarHBondContact O-N 3.46Å
86	A	79.8	Confident	76.5	Confident	60 Å²	60	89.7 Å²	89.7	50%	0.496	45%	0.453	S	S	.	.	H	α-helix	trans	-59.9	-44.4	178.7	0	0	0	0	0	111.8	E82 E83 L89 D90	E82-A86 PolarHBondContact O-N 2.98Å; E83-A86 PolarHBondContact O-N 3.4Å; A86-L89 PolarHBondContact O-N 3.37Å; A86-D90 PolarHBondContact O-N 3.49Å
87	S	82.9	Confident	78.5	Confident	84 Å²	84	84.2 Å²	84.2	59%	0.587	43%	0.433	S	S	*	.	H	α-helix	trans	-61.9	-45.5	175.2	-179.5	0	0	0	0	112.3	E83 L85 L89 D90 H91	E83-S87 WeakPolarHBondContact O-CB 3.16Å; E83-S87 PolarHBondContact O-N 2.81Å; L85-S87 VanDerWaalsContact C-N 3.34Å; L85-S87 PolarHBondContact O-N 2.82Å; S87-L89 VanDerWaalsContact C-N 3.34Å; S87-L89 PolarHBondContact O-N 3.38Å; S87-D90 PolarHBondContact O-N 3.12Å; S87-H91 PolarHBondContact O-N 3.16Å
88	K	83.4	Confident	80.6	Confident	78 Å²	78	79.4 Å²	79.4	34%	0.339	41%	0.407	S	S	.	.	H	α-helix	trans	-64	-37.1	175	-73.2	169.8	-171	168.6	0	112.7	I71 E84 L85 H91 Y92	I71-K88 HydrophobicContact CD1-CB 3.8Å; I71-K88 HydrophobicContact CG1-CB 4.29Å; E84-K88 WeakPolarHBondContact O-CB 3.35Å; E84-K88 VanDerWaalsContact O-CD 3.3Å; E84-K88 WeakPolarHBondContact O-CD 3.36Å; E84-K88 WeakPolarHBondContact O-CG 3.44Å; E84-K88 PolarHBondContact O-N 3.11Å; E84-K88 WeakPolarHBondContact OE1-CE 3.4Å; E84-K88 IonicContact OE1-NZ 2.59Å; E84-K88 PolarHBondContact OE1-NZ 3.27Å; L85-K88 PolarHBondContact O-N 2.9Å; K88-H91 PolarHBondContact O-N 3.1Å; K88-Y92 VanDerWaalsContact O-CD2 3.28Å; K88-Y92 WeakPolarHBondContact O-CD2 3.27Å; K88-Y92 PolarHBondContact O-N 3.29Å
89	L	85.5	Confident	82.5	Confident	46 Å²	46	73.7 Å²	73.7	24%	0.241	37%	0.37	C	S	.	.	H	α-helix	trans	-64.5	-46.2	176.8	-79.2	169.2	0	0	0	111.5	P67 L68 I71 L85 A86 S87 H91 Y92 K93	P67-L89 HydrophobicContact CB-CD2 3.74Å; L68-L89 HydrophobicContact CD2-CD1 4.26Å; L68-L89 HydrophobicContact CD2-CD2 3.75Å; L68-L89 HydrophobicContact CG-CD2 3.77Å; I71-L89 HydrophobicContact CD1-CB 4.42Å; I71-L89 HydrophobicContact CD1-CD2 3.57Å; I71-L89 HydrophobicContact CD1-CG 3.71Å; L85-L89 HydrophobicContact CD1-CD1 4.28Å; L85-L89 HydrophobicContact CD1-CG 4.21Å; L85-L89 HydrophobicContact CD2-CD1 4.49Å; L85-L89 HydrophobicContact CG-CD1 3.92Å; L85-L89 HydrophobicContact CG-CG 4.32Å; L85-L89 WeakPolarHBondContact O-CB 3.43Å; L85-L89 WeakPolarHBondContact O-CG 3.09Å; L85-L89 PolarHBondContact O-N 3.46Å; A86-L89 PolarHBondContact O-N 3.37Å; S87-L89 VanDerWaalsContact C-N 3.34Å; S87-L89 PolarHBondContact O-N 3.38Å; L89-H91 VanDerWaalsContact C-N 3.33Å; L89-H91 PolarHBondContact O-N 3.28Å; L89-Y92 PolarHBondContact O-N 3.36Å; L89-K93 WeakPolarHBondContact O-CB 3.3Å; L89-K93 PolarHBondContact O-N 3.34Å; L89-K93 VanDerWaalsContact O-N 3.1Å
90	D	84.3	Confident	84.4	Confident	79 Å²	79	64.1 Å²	64.1	42%	0.422	33%	0.325	S	S	.	.	H	α-helix	trans	-67.2	-34.6	178.1	-153.8	73.1	0	0	0	111.9	A86 S87 Y92 K93	A86-D90 PolarHBondContact O-N 3.49Å; S87-D90 PolarHBondContact O-N 3.12Å; D90-Y92 VanDerWaalsContact C-N 3.28Å; D90-Y92 PolarHBondContact O-N 2.71Å; D90-K93 WeakPolarHBondContact O-CB 3.35Å; D90-K93 PolarHBondContact O-N 2.95Å; D90-K93 VanDerWaalsContact O-N 3.13Å; D90-K93 WeakPolarHBondContact OD1-CD 3.4Å; D90-K93 IonicContact OD1-NZ 3.16Å; D90-K93 PolarHBondContact OD1-NZ 3.03Å; D90-K93 VanDerWaalsContact OD1-NZ 3.16Å
91	H	86.1	Confident	86.3	Confident	137 Å²	137	61.7 Å²	61.7	63%	0.634	31%	0.307	S	S	*	.	H	α-helix	trans	-60.7	-31.4	173.9	-170.9	83.5	0	0	0	114	S87 K88 L89 A217	S87-H91 PolarHBondContact O-N 3.16Å; K88-H91 PolarHBondContact O-N 3.1Å; L89-H91 VanDerWaalsContact C-N 3.33Å; L89-H91 PolarHBondContact O-N 3.28Å; H91-A217 VanDerWaalsContact O-CB 3.25Å; H91-A217 WeakPolarHBondContact O-CB 3.23Å
92	Y	87.9	Confident	88.1	Confident	99 Å²	99	61.4 Å²	61.4	39%	0.388	30%	0.304	S	S	.	.	H	α-helix	trans	-95.8	-3.9	176	-73.7	-62.4	0	0	0	114.1	L70 I71 K88 L89 D90 A94	L70-Y92 HydrophobicContact CB-CD1 4.15Å; L70-Y92 HydrophobicContact CB-CD2 4.23Å; L70-Y92 HydrophobicContact CB-CE1 4.42Å; L70-Y92 HydrophobicContact CB-CE2 4.49Å; L70-Y92 HydrophobicContact CB-CG 4.06Å; L70-Y92 HydrophobicContact CD1-CD1 3.77Å; L70-Y92 HydrophobicContact CD1-CE1 4.49Å; L70-Y92 HydrophobicContact CD1-CG 4.07Å; I71-Y92 HydrophobicContact CD1-CD2 4.36Å; I71-Y92 HydrophobicContact CG1-CD2 3.85Å; I71-Y92 HydrophobicContact CG1-CE2 4.11Å; K88-Y92 VanDerWaalsContact O-CD2 3.28Å; K88-Y92 WeakPolarHBondContact O-CD2 3.27Å; K88-Y92 PolarHBondContact O-N 3.29Å; L89-Y92 PolarHBondContact O-N 3.36Å; D90-Y92 VanDerWaalsContact C-N 3.28Å; D90-Y92 PolarHBondContact O-N 2.71Å; Y92-A94 PolarHBondContact O-N 2.59Å
93	K	90.3	Very high	89.6	Confident	112 Å²	112	53.9 Å²	53.9	49%	0.487	27%	0.269	S	S	.	.			trans	-79.8	115.2	-175.5	-172.3	-179.6	173.5	-168.6	0	110.5	P67 L89 D90 K95	P67-K93 HydrophobicContact CG-CB 4.33Å; L89-K93 WeakPolarHBondContact O-CB 3.3Å; L89-K93 PolarHBondContact O-N 3.34Å; L89-K93 VanDerWaalsContact O-N 3.1Å; D90-K93 WeakPolarHBondContact O-CB 3.35Å; D90-K93 PolarHBondContact O-N 2.95Å; D90-K93 VanDerWaalsContact O-N 3.13Å; D90-K93 WeakPolarHBondContact OD1-CD 3.4Å; D90-K93 IonicContact OD1-NZ 3.16Å; D90-K93 PolarHBondContact OD1-NZ 3.03Å; D90-K93 VanDerWaalsContact OD1-NZ 3.16Å; K93-K95 PolarHBondContact O-N 3.12Å
94	A	94.3	Very high	91.2	Very high	9 Å²	9	46.9 Å²	46.9	7%	0.074	24%	0.236	C	C	.	.			trans	-54.9	133.1	167.9	0	0	0	0	0	110.4	Y92 R214 A215 P266	Y92-A94 PolarHBondContact O-N 2.59Å; A94-R214 HydrophobicContact CB-CB 4.44Å; A94-R214 HydrophobicContact CB-CG 4.02Å; A94-A215 HydrophobicContact CB-CB 4.22Å; A94-A215 VanDerWaalsContact CB-O 3.3Å; A94-A215 WeakPolarHBondContact CB-O 3.33Å; A94-P266 HydrophobicContact CB-CB 3.99Å; A94-P266 WeakPolarHBondContact O-CB 3.41Å
95	K	95.6	Very high	92.2	Very high	112 Å²	112	43.9 Å²	43.9	49%	0.487	22%	0.222	S	C	.	.			trans	-101.9	-37	-176.6	-61	172.5	-176.2	173.5	0	112.3	K93 P266	K93-K95 PolarHBondContact O-N 3.12Å; K95-P266 WeakPolarHBondContact O-CG 3.41Å
96	A	97.9	Very high	93.2	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.008	21%	0.214	C	C	.	.	S	Bend	trans	-95.2	157.9	-174.5	0	0	0	0	0	115.1	A215 Q219 E221 P266	A96-A215 HydrophobicContact CB-CB 3.95Å; A96-A215 VanDerWaalsContact O-CB 3.27Å; A96-A215 WeakPolarHBondContact O-CB 3.29Å; A96-Q219 HydrophobicContact CB-CB 4.49Å; A96-Q219 HydrophobicContact CB-CG 3.84Å; A96-E221 WeakPolarHBondContact CB-O 3.36Å; A96-P266 WeakPolarHBondContact O-CB 3.34Å; A96-P266 WeakPolarHBondContact O-CD 3.33Å; A96-P266 WeakPolarHBondContact O-CG 3.31Å
97	T	98.8	Very high	94.1	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.043	20%	0.2	C	C	.	.			trans	-85.6	144.6	162.9	-50.9	0	0	0	0	110.3	D222 S223 V263 I264 R265	T97-D222 VanDerWaalsContact CB-CG 3.47Å; T97-D222 WeakPolarHBondContact CB-OD1 3.3Å; T97-D222 VanDerWaalsContact CB-OD2 3.32Å; T97-D222 WeakPolarHBondContact CB-OD2 3.28Å; T97-D222 PolarHBondContact N-OD1 2.93Å; T97-D222 CarbonylContact O-C 3.57Å; T97-D222 VanDerWaalsContact O-CA 3.29Å; T97-D222 WeakPolarHBondContact O-CA 3.23Å; T97-D222 PolarHBondContact OG1-OD1 2.84Å; T97-D222 PolarHBondContact OG1-OD2 2.82Å; T97-S223 PolarHBondContact O-N 3.22Å; T97-V263 HydrophobicContact CG2-CG1 3.47Å; T97-V263 VanDerWaalsContact CG2-CG1 3.47Å; T97-I264 WeakPolarHBondContact CA-O 3.49Å; T97-I264 WeakPolarHBondContact CG2-O 3.26Å; T97-R265 PolarHBondContact OG1-NH1 3.29Å
98	R	98.8	Very high	94.8	Very high	6 Å²	6	39.6 Å²	39.6	2%	0.023	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123	167.2	-55.6	179.3	62.4	-153.4	-1.3	110.6	I100 Y211 H213 A215 S223 E225 I264	R98-I100 HydrophobicContact CB-CD1 3.97Å; R98-I100 HydrophobicContact CB-CG1 4.47Å; R98-Y211 VanDerWaalsContact CZ-O 3.3Å; R98-Y211 PolarHBondContact NH1-O 2.84Å; R98-Y211 PolarHBondContact NH2-O 3.37Å; R98-H213 WeakPolarHBondContact CD-O 3.34Å; R98-H213 PolarHBondContact NH1-ND1 2.96Å; R98-H213 PolarHBondContact NH1-O 2.9Å; R98-A215 HydrophobicContact CG-CB 4.1Å; R98-S223 WeakPolarHBondContact CG-OG 3.24Å; R98-E225 IonicContact CZ-OE1 3.87Å; R98-E225 IonicContact CZ-OE2 2.67Å; R98-E225 IonicContact NE-OE1 3.89Å; R98-E225 PolarHBondContact NE-OE1 3.19Å; R98-E225 IonicContact NE-OE2 2.65Å; R98-E225 VanDerWaalsContact NH2-CD 3.3Å; R98-E225 IonicContact NH2-OE1 3.94Å; R98-E225 PolarHBondContact NH2-OE1 2.73Å; R98-E225 IonicContact NH2-OE2 3.92Å; R98-E225 PolarHBondContact NH2-OE2 2.81Å; R98-I264 HydrophobicContact CB-CB 4.38Å; R98-I264 PolarHBondContact N-O 2.99Å; R98-I264 PolarHBondContact O-N 3.45Å
99	H	98.9	Very high	95.6	Very high	28 Å²	28	39.3 Å²	39.3	13%	0.13	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	113.3	170.5	-72.1	-114.9	0	0	0	108.7	F101 S223 Y224 E225 H261	H99-F101 HydrophobicContact CB-CE2 3.84Å; H99-F101 HydrophobicContact CB-CZ 4.46Å; H99-S223 WeakPolarHBondContact CB-O 3.36Å; H99-S223 PolarHBondContact N-O 2.75Å; H99-Y224 HydrophobicContact CB-CD1 3.56Å; H99-Y224 HydrophobicContact CB-CE1 4.01Å; H99-Y224 HydrophobicContact CB-CG 4.42Å; H99-Y224 AromaticContact CD2-CE1 3.9Å; H99-Y224 AromaticContact CG-CD1 3.8Å; H99-Y224 AromaticContact CG-CE1 3.69Å; H99-Y224 AromaticContact ND1-CE1 3.96Å; H99-E225 PolarHBondContact O-N 2.87Å; H99-H261 AromaticContact CG-NE2 3.75Å; H99-H261 AromaticContact ND1-CE1 3.48Å; H99-H261 PolarHBondContact ND1-CE1 3.2Å; H99-H261 AromaticContact ND1-NE2 3.16Å; H99-H261 PolarHBondContact ND1-NE2 3.34Å; H99-H261 VanDerWaalsContact ND1-NE2 3.16Å
100	I	98.9	Very high	96.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.9	-173.1	-52	-59.5	0	0	0	109.2	R98 L102 I212 E225 F227 H261 L262 I264	R98-I100 HydrophobicContact CB-CD1 3.97Å; R98-I100 HydrophobicContact CB-CG1 4.47Å; I100-L102 HydrophobicContact CG2-CD2 3.62Å; I100-L102 HydrophobicContact CG2-CG 4.06Å; I100-I212 HydrophobicContact CG2-CD1 3.93Å; I100-E225 HydrophobicContact CD1-CB 4.19Å; I100-F227 HydrophobicContact CD1-CE2 4.11Å; I100-F227 HydrophobicContact CG2-CD2 3.73Å; I100-F227 HydrophobicContact CG2-CE2 3.81Å; I100-H261 WeakPolarHBondContact O-CA 3.48Å; I100-L262 HydrophobicContact CB-CB 4.24Å; I100-L262 PolarHBondContact N-O 3.43Å; I100-L262 PolarHBondContact O-N 3.16Å; I100-I264 HydrophobicContact CG1-CD1 3.98Å; I100-I264 HydrophobicContact CG1-CG1 4.32Å
101	F	98.9	Very high	96.5	Very high	7 Å²	7	43.9 Å²	43.9	3%	0.031	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	95.5	178.8	-63.2	-94.4	0	0	0	109.2	H99 L138 L140 F142 Y224 E225 I226 F227 I259 H261	H99-F101 HydrophobicContact CB-CE2 3.84Å; H99-F101 HydrophobicContact CB-CZ 4.46Å; F101-L138 HydrophobicContact CE1-CD1 3.97Å; F101-L138 HydrophobicContact CZ-CD1 4.39Å; F101-L140 HydrophobicContact CE2-CD1 4.23Å; F101-L140 HydrophobicContact CZ-CD1 3.71Å; F101-F142 HydrophobicContact CD2-CD1 4.43Å; F101-F142 AromaticContact CD2-CE1 3.77Å; F101-F142 HydrophobicContact CD2-CE1 3.77Å; F101-F142 AromaticContact CE2-CE1 3.79Å; F101-F142 HydrophobicContact CE2-CE1 3.79Å; F101-F142 HydrophobicContact CG-CE1 4.27Å; F101-F142 HydrophobicContact CZ-CE1 4.31Å; F101-Y224 HydrophobicContact CE2-CD1 4.13Å; F101-E225 PolarHBondContact N-O 3.41Å; F101-I226 HydrophobicContact CB-CG1 4.15Å; F101-I226 WeakPolarHBondContact O-CA 3.25Å; F101-F227 PolarHBondContact O-N 2.94Å; F101-I259 HydrophobicContact CD1-CG2 4.05Å; F101-H261 HydrophobicContact CD1-CB 4.44Å; F101-H261 HydrophobicContact CE1-CB 4.47Å; F101-H261 AromaticContact CE1-CD2 3.85Å; F101-H261 AromaticContact CE1-CG 3.93Å; F101-H261 AromaticContact CZ-CD2 3.9Å; F101-H261 AromaticContact CZ-CE1 3.99Å; F101-H261 AromaticContact CZ-NE2 3.67Å
102	L	98.9	Very high	96.7	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	121.7	174.7	-54.1	179.1	0	0	0	108.6	I100 I212 F227 I234 I237 V238 T260 L262	I100-L102 HydrophobicContact CG2-CD2 3.62Å; I100-L102 HydrophobicContact CG2-CG 4.06Å; L102-I212 HydrophobicContact CD2-CD1 4.48Å; L102-F227 HydrophobicContact CD2-CB 3.84Å; L102-F227 HydrophobicContact CD2-CD2 4.2Å; L102-F227 HydrophobicContact CD2-CG 4.18Å; L102-I234 HydrophobicContact CB-CD1 4.39Å; L102-I234 HydrophobicContact CB-CG1 4.13Å; L102-I234 HydrophobicContact CB-CG2 3.85Å; L102-I234 HydrophobicContact CD1-CG2 3.94Å; L102-I237 HydrophobicContact CD1-CB 4.25Å; L102-I237 HydrophobicContact CD1-CG2 3.62Å; L102-I237 HydrophobicContact CD2-CG2 4.48Å; L102-V238 HydrophobicContact CD1-CG2 4.28Å; L102-T260 PolarHBondContact N-O 3.12Å; L102-T260 PolarHBondContact O-N 2.86Å; L102-L262 HydrophobicContact CD1-CD1 3.93Å
103	I	98.9	Very high	96.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.2	-174.2	-55.9	-176.5	0	0	0	109.1	T131 L135 I160 I226 F227 I228 C229 I234 S258 I259	I103-T131 HydrophobicContact CD1-CG2 4.33Å; I103-T131 HydrophobicContact CG2-CG2 4.05Å; I103-L135 HydrophobicContact CD1-CD1 3.61Å; I103-L135 HydrophobicContact CD1-CD2 4.12Å; I103-L135 HydrophobicContact CD1-CG 4.39Å; I103-I160 HydrophobicContact CD1-CD1 4.44Å; I103-I160 HydrophobicContact CG2-CD1 4.3Å; I103-I226 HydrophobicContact CD1-CG2 3.75Å; I103-I226 HydrophobicContact CG1-CG2 4.44Å; I103-F227 PolarHBondContact N-O 3.46Å; I103-I228 HydrophobicContact CB-CG1 4.16Å; I103-I228 HydrophobicContact CD1-CG1 4.42Å; I103-I228 WeakPolarHBondContact O-CA 3.28Å; I103-C229 PolarHBondContact O-N 2.83Å; I103-I234 VanDerWaalsContact C-CD1 3.46Å; I103-S258 WeakPolarHBondContact CA-O 3.29Å; I103-I259 HydrophobicContact CG1-CG1 4.46Å
104	R	98.9	Very high	97.1	Very high	23 Å²	23	37.4 Å²	37.4	9%	0.087	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	138.5	171.6	-171.3	-175	167.6	-165.4	-6.4	109.5	I234 L254 N255 G257 S258 R288	R104-I234 HydrophobicContact CB-CD1 4.04Å; R104-L254 PolarHBondContact NH1-O 3.15Å; R104-N255 WeakPolarHBondContact CD-O 3.47Å; R104-G257 WeakPolarHBondContact O-CA 3.44Å; R104-G257 PolarHBondContact O-N 3.12Å; R104-G257 VanDerWaalsContact O-N 3.09Å; R104-S258 PolarHBondContact N-O 3.07Å; R104-R288 VanDerWaalsContact CZ-O 3.29Å; R104-R288 PolarHBondContact NH1-O 3.28Å; R104-R288 PolarHBondContact NH2-O 2.95Å
105	H	98.9	Very high	97.1	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.019	20%	0.204	C	C	.	.			trans	-47.6	152.7	168.3	71.5	82	0	0	0	112.6	Y108 R152 A153 C229 H230 N256 G257	H105-Y108 AromaticContact CE1-CD1 3.48Å; H105-Y108 VanDerWaalsContact CE1-CD1 3.48Å; H105-Y108 WeakPolarHBondContact CE1-CD1 3.42Å; H105-Y108 AromaticContact CE1-CE1 3.57Å; H105-Y108 AromaticContact ND1-CD1 3.82Å; H105-R152 HydrophobicContact CB-CB 4.41Å; H105-R152 HydrophobicContact CB-CG 4.07Å; H105-A153 HydrophobicContact CB-CB 4.42Å; H105-C229 PolarHBondContact CD2-O 3.07Å; H105-C229 PolarHBondContact N-O 2.93Å; H105-H230 AromaticContact CD2-CG 3.94Å; H105-H230 AromaticContact CD2-ND1 3.17Å; H105-H230 PolarHBondContact CD2-ND1 2.99Å; H105-H230 AromaticContact NE2-ND1 3.84Å; H105-N256 WeakPolarHBondContact O-CA 2.96Å; H105-G257 PolarHBondContact O-N 2.97Å; H105-G257 VanDerWaalsContact O-N 3.14Å
106	S	98.9	Very high	97.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.209	C	C	.	.			trans	-77.6	175.7	177.3	-58.9	0	0	0	0	112.3	G124 A128 T156 N256	S106-G124 WeakPolarHBondContact CB-O 3.46Å; S106-G124 PolarHBondContact OG-O 3.16Å; S106-A128 WeakPolarHBondContact OG-CA 3.44Å; S106-A128 PolarHBondContact OG-N 3.07Å; S106-T156 PolarHBondContact N-OG1 3.06Å; S106-N256 PolarHBondContact O-ND2 2.86Å
107	Q	98.9	Very high	97	Very high	40 Å²	40	42.8 Å²	42.8	19%	0.187	22%	0.223	C	C	.	.			trans	-58.4	139.9	-178.7	176.5	175.1	80.6	0	0	112.1	L120 T121 G124 N256 S289	Q107-L120 VanDerWaalsContact O-CA 3.29Å; Q107-L120 WeakPolarHBondContact O-CA 3.49Å; Q107-L120 WeakPolarHBondContact O-CD2 3.41Å; Q107-T121 HydrophobicContact CG-CG2 3.72Å; Q107-T121 WeakPolarHBondContact CG-OG1 3.41Å; Q107-T121 PolarHBondContact O-N 3.48Å; Q107-T121 PolarHBondContact OE1-OG1 2.87Å; Q107-G124 WeakPolarHBondContact O-CA 3.43Å; Q107-N256 WeakPolarHBondContact CA-ND2 3.47Å; Q107-N256 PolarHBondContact N-ND2 3.07Å; Q107-S289 VanDerWaalsContact CG-O 3.3Å; Q107-S289 WeakPolarHBondContact CG-O 3.48Å; Q107-S289 PolarHBondContact NE2-O 2.86Å
108	Y	98.8	Very high	97	Very high	42 Å²	42	46.1 Å²	46.1	17%	0.165	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-142.1	162.2	-173.6	80.5	-74.2	0	0	0	112.9	H105 V110 R118 T119 R152	H105-Y108 AromaticContact CE1-CD1 3.48Å; H105-Y108 VanDerWaalsContact CE1-CD1 3.48Å; H105-Y108 WeakPolarHBondContact CE1-CD1 3.42Å; H105-Y108 AromaticContact CE1-CE1 3.57Å; H105-Y108 AromaticContact ND1-CD1 3.82Å; Y108-V110 HydrophobicContact CD1-CG2 4.39Å; Y108-V110 HydrophobicContact CE1-CG2 3.93Å; Y108-V110 HydrophobicContact CE2-CB 4.39Å; Y108-V110 HydrophobicContact CE2-CG2 4.21Å; Y108-V110 PolarHBondContact O-N 3.19Å; Y108-V110 VanDerWaalsContact O-N 3.07Å; Y108-R118 HydrophobicContact CD2-CB 3.9Å; Y108-R118 HydrophobicContact CE2-CB 4.08Å; Y108-R118 HydrophobicContact CE2-CG 4.43Å; Y108-T119 CarbonylContact C-O 3.53Å; Y108-T119 VanDerWaalsContact CA-O 3.24Å; Y108-T119 WeakPolarHBondContact CA-O 3.48Å; Y108-T119 VanDerWaalsContact CB-O 3.3Å; Y108-T119 WeakPolarHBondContact CB-O 3.38Å; Y108-R152 VanDerWaalsContact CD1-CD 3.46Å; Y108-R152 HydrophobicContact CD2-CB 4.28Å; Y108-R152 HydrophobicContact CD2-CG 4.48Å; Y108-R152 HydrophobicContact CG-CB 3.93Å; Y108-R152 VanDerWaalsContact CG-CD 3.4Å; Y108-R152 HydrophobicContact CG-CG 4.3Å
109	H	98.3	Very high	97	Very high	72 Å²	72	47.8 Å²	47.8	33%	0.333	25%	0.246	S	C	.	.			trans	-71.7	95.6	174.1	-71.9	-80.1	0	0	0	110.3	D111 G112 R118 T119	H109-D111 VanDerWaalsContact C-N 3.25Å; H109-D111 IonicContact ND1-OD1 3.51Å; H109-D111 PolarHBondContact O-N 2.85Å; H109-G112 PolarHBondContact O-N 2.88Å; H109-R118 WeakPolarHBondContact O-CA 3.46Å; H109-R118 WeakPolarHBondContact O-CG 3.34Å; H109-T119 PolarHBondContact N-O 3.26Å
110	V	96.1	Very high	97	Very high	84 Å²	84	46.5 Å²	46.5	51%	0.509	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-30.1	-178.9	-169.8	0	0	0	0	111.6	Y108 G112	Y108-V110 HydrophobicContact CD1-CG2 4.39Å; Y108-V110 HydrophobicContact CE1-CG2 3.93Å; Y108-V110 HydrophobicContact CE2-CB 4.39Å; Y108-V110 HydrophobicContact CE2-CG2 4.21Å; Y108-V110 PolarHBondContact O-N 3.19Å; Y108-V110 VanDerWaalsContact O-N 3.07Å; V110-G112 VanDerWaalsContact C-N 3.27Å; V110-G112 PolarHBondContact O-N 2.79Å
111	D	94.3	Very high	96.9	Very high	137 Å²	137	47.2 Å²	47.2	73%	0.733	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-6.2	178.6	57	-38.1	0	0	0	114.3	H109 S113	H109-D111 VanDerWaalsContact C-N 3.25Å; H109-D111 IonicContact ND1-OD1 3.51Å; H109-D111 PolarHBondContact O-N 2.85Å; D111-S113 PolarHBondContact O-N 2.7Å
112	G	89.9	Confident	96.9	Very high	11 Å²	11	50.7 Å²	50.7	11%	0.113	27%	0.268	C	S	.	.			trans	-55.9	124.2	173.6	0	0	0	0	0	112	H109 V110 R118	H109-G112 PolarHBondContact O-N 2.88Å; V110-G112 VanDerWaalsContact C-N 3.27Å; V110-G112 PolarHBondContact O-N 2.79Å; G112-R118 WeakPolarHBondContact O-CG 3.46Å; G112-R118 PolarHBondContact O-NE 2.85Å; G112-R118 PolarHBondContact O-NH2 2.88Å
113	S	90.8	Very high	96.9	Very high	98 Å²	98	52.3 Å²	52.3	69%	0.685	28%	0.277	S	S	*	.	S	Bend	trans	-71.5	-39.6	-170.4	56.4	0	0	0	0	113.2	D111	D111-S113 PolarHBondContact O-N 2.7Å
114	L	95.4	Very high	96.9	Very high	103 Å²	103	52.3 Å²	52.3	54%	0.539	28%	0.277	S	S	.	.	S	Bend	trans	-110.5	157.8	170.4	-52	169	0	0	0	109.8	K116 D117	L114-K116 HydrophobicContact CB-CG 3.96Å; L114-K116 PolarHBondContact O-N 2.91Å; L114-K116 VanDerWaalsContact O-N 3.11Å; L114-D117 VanDerWaalsContact CB-OD2 3.27Å; L114-D117 WeakPolarHBondContact CB-OD2 3.38Å; L114-D117 PolarHBondContact N-OD2 3Å; L114-D117 PolarHBondContact O-N 3.13Å
115	E	95	Very high	96.9	Very high	39 Å²	39	56.5 Å²	56.5	18%	0.182	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-58.7	-31.3	-176.6	-172.8	63.6	-165.9	0	0	112.5	D117 R118 M150 T151 R152	E115-D117 VanDerWaalsContact C-N 3.25Å; E115-D117 PolarHBondContact O-N 3.21Å; E115-R118 WeakPolarHBondContact O-CB 3.48Å; E115-R118 PolarHBondContact O-N 2.9Å; E115-R118 WeakPolarHBondContact OE2-CD 3.43Å; E115-R118 IonicContact OE2-CZ 3.36Å; E115-R118 IonicContact OE2-NH1 2.67Å; E115-R118 PolarHBondContact OE2-NH1 3.27Å; E115-M150 VanDerWaalsContact OE1-CB 3.25Å; E115-M150 WeakPolarHBondContact OE1-CB 3.35Å; E115-M150 WeakPolarHBondContact OE1-CE 3.32Å; E115-M150 VanDerWaalsContact OE1-CG 3.26Å; E115-M150 WeakPolarHBondContact OE1-CG 3.28Å; E115-T151 VanDerWaalsContact O-CB 3.3Å; E115-T151 WeakPolarHBondContact O-CB 3.5Å; E115-T151 PolarHBondContact O-OG1 3Å; E115-R152 IonicContact OE1-CZ 3.35Å; E115-R152 IonicContact OE1-NH1 3.74Å; E115-R152 PolarHBondContact OE1-NH1 3.22Å; E115-R152 IonicContact OE2-NH1 3.36Å
116	K	95.2	Very high	96.9	Very high	139 Å²	139	60.2 Å²	60.2	60%	0.604	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-64.6	-23.9	174.5	56.6	148.2	-168.4	160.1	0	114.3	L114	L114-K116 HydrophobicContact CB-CG 3.96Å; L114-K116 PolarHBondContact O-N 2.91Å; L114-K116 VanDerWaalsContact O-N 3.11Å
117	D	95.7	Very high	96.9	Very high	57 Å²	57	60.2 Å²	60.2	31%	0.305	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-92.3	-7.3	-177.6	-47.7	-51.2	0	0	0	110.9	L114 E115 T119	L114-D117 VanDerWaalsContact CB-OD2 3.27Å; L114-D117 WeakPolarHBondContact CB-OD2 3.38Å; L114-D117 PolarHBondContact N-OD2 3Å; L114-D117 PolarHBondContact O-N 3.13Å; E115-D117 VanDerWaalsContact C-N 3.25Å; E115-D117 PolarHBondContact O-N 3.21Å; D117-T119 PolarHBondContact O-N 2.91Å
118	R	97.9	Very high	96.9	Very high	77 Å²	77	58.3 Å²	58.3	29%	0.291	30%	0.301	S	S	.	.			trans	-84.9	54.3	176.7	-64	179.5	-176.6	160.8	-5	111.8	Y108 H109 G112 E115 R152	Y108-R118 HydrophobicContact CD2-CB 3.9Å; Y108-R118 HydrophobicContact CE2-CB 4.08Å; Y108-R118 HydrophobicContact CE2-CG 4.43Å; H109-R118 WeakPolarHBondContact O-CA 3.46Å; H109-R118 WeakPolarHBondContact O-CG 3.34Å; G112-R118 WeakPolarHBondContact O-CG 3.46Å; G112-R118 PolarHBondContact O-NE 2.85Å; G112-R118 PolarHBondContact O-NH2 2.88Å; E115-R118 WeakPolarHBondContact O-CB 3.48Å; E115-R118 PolarHBondContact O-N 2.9Å; E115-R118 WeakPolarHBondContact OE2-CD 3.43Å; E115-R118 IonicContact OE2-CZ 3.36Å; E115-R118 IonicContact OE2-NH1 2.67Å; E115-R118 PolarHBondContact OE2-NH1 3.27Å; R118-R152 PolarHBondContact O-N 3.36Å
119	T	98.6	Very high	97	Very high	42 Å²	42	59.8 Å²	59.8	26%	0.258	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-78.8	166.5	179.3	59.9	0	0	0	0	111.6	Y108 H109 D117 T151 E155	Y108-T119 CarbonylContact C-O 3.53Å; Y108-T119 VanDerWaalsContact CA-O 3.24Å; Y108-T119 WeakPolarHBondContact CA-O 3.48Å; Y108-T119 VanDerWaalsContact CB-O 3.3Å; Y108-T119 WeakPolarHBondContact CB-O 3.38Å; H109-T119 PolarHBondContact N-O 3.26Å; D117-T119 PolarHBondContact O-N 2.91Å; T119-T151 HydrophobicContact CG2-CG2 4.01Å; T119-E155 VanDerWaalsContact CB-OE1 3.31Å; T119-E155 WeakPolarHBondContact CB-OE1 3.29Å; T119-E155 WeakPolarHBondContact CG2-OE1 3.14Å
120	L	98.8	Very high	97	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-65.4	144.7	176.1	-64.6	-178.7	0	0	0	111.6	Q107 R125 A128 R152 E155 I159	Q107-L120 VanDerWaalsContact O-CA 3.29Å; Q107-L120 WeakPolarHBondContact O-CA 3.49Å; Q107-L120 WeakPolarHBondContact O-CD2 3.41Å; L120-R125 HydrophobicContact CB-CG 4.04Å; L120-R125 HydrophobicContact CD1-CG 4.3Å; L120-R125 PolarHBondContact O-NH1 3.49Å; L120-A128 HydrophobicContact CD1-CB 4.46Å; L120-R152 HydrophobicContact CD2-CB 4.13Å; L120-E155 WeakPolarHBondContact CB-OE2 3.45Å; L120-E155 HydrophobicContact CD1-CB 3.76Å; L120-E155 HydrophobicContact CG-CB 3.83Å; L120-E155 WeakPolarHBondContact CG-OE2 3.39Å; L120-E155 PolarHBondContact N-OE2 3.03Å; L120-I159 HydrophobicContact CD1-CD1 4.1Å
121	T	98.8	Very high	97.1	Very high	15 Å²	15	54.5 Å²	54.5	9%	0.092	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-71	169	167.5	68	0	0	0	0	110	Q107 L123 G124 R125	Q107-T121 HydrophobicContact CG-CG2 3.72Å; Q107-T121 WeakPolarHBondContact CG-OG1 3.41Å; Q107-T121 PolarHBondContact O-N 3.48Å; Q107-T121 PolarHBondContact OE1-OG1 2.87Å; T121-L123 VanDerWaalsContact C-N 3.27Å; T121-L123 PolarHBondContact O-N 3.15Å; T121-G124 WeakPolarHBondContact O-CA 3.29Å; T121-G124 PolarHBondContact O-N 2.89Å; T121-G124 VanDerWaalsContact O-N 3.09Å; T121-G124 PolarHBondContact OG1-N 2.86Å; T121-R125 PolarHBondContact O-N 2.85Å
122	P	98.8	Very high	97.3	Very high	81 Å²	81	48 Å²	48	53%	0.526	25%	0.245	S	C	.	.	H	α-helix	trans	-52.3	-46.9	170	-26.5	35.6	0	0	0	112.3	G124 R125 E126	P122-G124 VanDerWaalsContact C-N 3.34Å; P122-G124 PolarHBondContact O-N 2.79Å; P122-R125 WeakPolarHBondContact O-CB 3.33Å; P122-R125 PolarHBondContact O-N 2.84Å; P122-R125 VanDerWaalsContact O-N 3.12Å; P122-E126 PolarHBondContact O-N 3.14Å
123	L	98.9	Very high	97.8	Very high	35 Å²	35	51.8 Å²	51.8	18%	0.183	26%	0.263	C	S	.	.	H	α-helix	trans	-63.2	-37.1	175.1	176.2	58	0	0	0	112.5	T121 R125 E126 Q127 K285 T287	T121-L123 VanDerWaalsContact C-N 3.27Å; T121-L123 PolarHBondContact O-N 3.15Å; L123-R125 VanDerWaalsContact C-N 3.25Å; L123-R125 PolarHBondContact O-N 2.67Å; L123-E126 WeakPolarHBondContact O-CB 3.39Å; L123-E126 PolarHBondContact O-N 3.35Å; L123-E126 VanDerWaalsContact O-N 3.16Å; L123-Q127 HydrophobicContact CD1-CG 4.4Å; L123-Q127 WeakPolarHBondContact O-CG 3.37Å; L123-Q127 PolarHBondContact O-N 3.42Å; L123-K285 HydrophobicContact CD1-CB 4Å; L123-K285 HydrophobicContact CD1-CD 3.45Å; L123-K285 VanDerWaalsContact CD1-CD 3.45Å; L123-K285 HydrophobicContact CD1-CG 4.33Å; L123-T287 HydrophobicContact CD2-CG2 3.72Å
124	G	98.9	Very high	98.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.3	-33.6	173.5	0	0	0	0	0	113.3	S106 Q107 T121 P122 A128	S106-G124 WeakPolarHBondContact CB-O 3.46Å; S106-G124 PolarHBondContact OG-O 3.16Å; Q107-G124 WeakPolarHBondContact O-CA 3.43Å; T121-G124 WeakPolarHBondContact O-CA 3.29Å; T121-G124 PolarHBondContact O-N 2.89Å; T121-G124 VanDerWaalsContact O-N 3.09Å; T121-G124 PolarHBondContact OG1-N 2.86Å; P122-G124 VanDerWaalsContact C-N 3.34Å; P122-G124 PolarHBondContact O-N 2.79Å; G124-A128 PolarHBondContact O-N 3.11Å; G124-A128 VanDerWaalsContact O-N 3.08Å
125	R	98.9	Very high	98.3	Very high	110 Å²	110	46.7 Å²	46.7	42%	0.415	22%	0.221	S	C	.	.	H	α-helix	trans	-70.5	-40	173.4	-65.6	-174.2	-83.1	-79.3	-1.8	111.8	L120 T121 P122 L123 A128 E129 I159	L120-R125 HydrophobicContact CB-CG 4.04Å; L120-R125 HydrophobicContact CD1-CG 4.3Å; L120-R125 PolarHBondContact O-NH1 3.49Å; T121-R125 PolarHBondContact O-N 2.85Å; P122-R125 WeakPolarHBondContact O-CB 3.33Å; P122-R125 PolarHBondContact O-N 2.84Å; P122-R125 VanDerWaalsContact O-N 3.12Å; L123-R125 VanDerWaalsContact C-N 3.25Å; L123-R125 PolarHBondContact O-N 2.67Å; R125-A128 PolarHBondContact O-N 2.82Å; R125-E129 WeakPolarHBondContact O-CB 3.17Å; R125-E129 PolarHBondContact O-N 3.17Å; R125-I159 HydrophobicContact CB-CD1 3.84Å; R125-I159 HydrophobicContact CG-CD1 3.75Å
126	E	98.9	Very high	98.5	Very high	83 Å²	83	46.9 Å²	46.9	39%	0.388	23%	0.23	S	C	.	.	H	α-helix	trans	-62	-42.4	173.3	-61.3	177.4	-111.8	0	0	112.3	P122 L123 E129 L130 K285	P122-E126 PolarHBondContact O-N 3.14Å; L123-E126 WeakPolarHBondContact O-CB 3.39Å; L123-E126 PolarHBondContact O-N 3.35Å; L123-E126 VanDerWaalsContact O-N 3.16Å; E126-E129 PolarHBondContact O-N 2.87Å; E126-L130 WeakPolarHBondContact O-CB 2.96Å; E126-L130 WeakPolarHBondContact O-CG 3.19Å; E126-L130 PolarHBondContact O-N 2.78Å; E126-K285 IonicContact OE1-NZ 2.67Å; E126-K285 VanDerWaalsContact OE2-CE 3.28Å; E126-K285 WeakPolarHBondContact OE2-CE 3.02Å; E126-K285 IonicContact OE2-NZ 2.8Å; E126-K285 PolarHBondContact OE2-NZ 2.9Å
127	Q	98.9	Very high	98.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-43.9	175.1	-73.3	170.4	-8.4	0	0	112	L123 E129 L130 T131 M281 K285 T287	L123-Q127 HydrophobicContact CD1-CG 4.4Å; L123-Q127 WeakPolarHBondContact O-CG 3.37Å; L123-Q127 PolarHBondContact O-N 3.42Å; Q127-E129 VanDerWaalsContact C-N 3.33Å; Q127-E129 PolarHBondContact O-N 3.19Å; Q127-L130 PolarHBondContact O-N 2.79Å; Q127-T131 WeakPolarHBondContact O-CB 3.36Å; Q127-T131 PolarHBondContact O-N 3.15Å; Q127-T131 PolarHBondContact O-OG1 3.36Å; Q127-M281 HydrophobicContact CB-CE 3.96Å; Q127-M281 HydrophobicContact CG-CE 4.24Å; Q127-M281 HydrophobicContact CG-SD 4.14Å; Q127-K285 PolarHBondContact NE2-O 3.26Å; Q127-T287 PolarHBondContact NE2-OG1 3.2Å
128	A	98.9	Very high	98.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.1	-37.6	177.2	0	0	0	0	0	111.9	S106 L120 G124 R125 T131 G132 T156 I159 I160	S106-A128 WeakPolarHBondContact OG-CA 3.44Å; S106-A128 PolarHBondContact OG-N 3.07Å; L120-A128 HydrophobicContact CD1-CB 4.46Å; G124-A128 PolarHBondContact O-N 3.11Å; G124-A128 VanDerWaalsContact O-N 3.08Å; R125-A128 PolarHBondContact O-N 2.82Å; A128-T131 PolarHBondContact O-N 2.98Å; A128-G132 PolarHBondContact O-N 3.12Å; A128-T156 HydrophobicContact CB-CG2 4.18Å; A128-I159 HydrophobicContact CB-CB 3.81Å; A128-I159 HydrophobicContact CB-CD1 3.89Å; A128-I159 HydrophobicContact CB-CG1 4.45Å; A128-I159 HydrophobicContact CB-CG2 3.73Å; A128-I160 WeakPolarHBondContact O-CG1 3.23Å
129	E	98.9	Very high	98.8	Very high	73 Å²	73	43.8 Å²	43.8	34%	0.341	25%	0.249	S	C	.	.	H	α-helix	trans	-65	-49.7	176.1	-173.2	68.2	-176.8	0	0	111.4	R125 E126 Q127 T131 G132 L133 I159 H163	R125-E129 WeakPolarHBondContact O-CB 3.17Å; R125-E129 PolarHBondContact O-N 3.17Å; E126-E129 PolarHBondContact O-N 2.87Å; Q127-E129 VanDerWaalsContact C-N 3.33Å; Q127-E129 PolarHBondContact O-N 3.19Å; E129-T131 PolarHBondContact O-N 3.17Å; E129-G132 PolarHBondContact O-N 3.08Å; E129-G132 VanDerWaalsContact O-N 3.13Å; E129-L133 HydrophobicContact CG-CD1 4.34Å; E129-L133 WeakPolarHBondContact O-CG 3.27Å; E129-L133 PolarHBondContact O-N 2.67Å; E129-I159 HydrophobicContact CB-CG2 4.18Å; E129-I159 WeakPolarHBondContact OE2-CG2 3.38Å; E129-H163 IonicContact OE1-CE1 2.83Å; E129-H163 PolarHBondContact OE1-CE1 2.73Å; E129-H163 IonicContact OE1-NE2 3.86Å; E129-H163 PolarHBondContact OE1-NE2 3.2Å; E129-H163 VanDerWaalsContact OE1-NE2 3.07Å; E129-H163 IonicContact OE2-CD2 2.82Å; E129-H163 IonicContact OE2-CE1 3.11Å; E129-H163 IonicContact OE2-NE2 3.07Å; E129-H163 PolarHBondContact OE2-NE2 3.16Å
130	L	98.9	Very high	98.8	Very high	44 Å²	44	44.2 Å²	44.2	23%	0.23	25%	0.249	C	C	.	.	H	α-helix	trans	-56.7	-37.6	173.8	-72.3	165.6	0	0	0	112	E126 Q127 R134 F280 M281 K285	E126-L130 WeakPolarHBondContact O-CB 2.96Å; E126-L130 WeakPolarHBondContact O-CG 3.19Å; E126-L130 PolarHBondContact O-N 2.78Å; Q127-L130 PolarHBondContact O-N 2.79Å; L130-R134 WeakPolarHBondContact O-CB 3.44Å; L130-R134 PolarHBondContact O-N 3.18Å; L130-F280 HydrophobicContact CB-CD2 4.21Å; L130-F280 HydrophobicContact CB-CE2 4.21Å; L130-F280 WeakPolarHBondContact O-CD2 3.37Å; L130-M281 HydrophobicContact CB-CG 4.32Å; L130-M281 HydrophobicContact CD1-CB 4.29Å; L130-M281 HydrophobicContact CD1-CG 4.12Å; L130-K285 HydrophobicContact CD1-CB 4.47Å
131	T	98.9	Very high	98.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-70.7	-40.4	177.6	-51.6	0	0	0	0	111.6	I103 Q127 A128 E129 R134 L135 I160 G257 I259 F280 M281	I103-T131 HydrophobicContact CD1-CG2 4.33Å; I103-T131 HydrophobicContact CG2-CG2 4.05Å; Q127-T131 WeakPolarHBondContact O-CB 3.36Å; Q127-T131 PolarHBondContact O-N 3.15Å; Q127-T131 PolarHBondContact O-OG1 3.36Å; A128-T131 PolarHBondContact O-N 2.98Å; E129-T131 PolarHBondContact O-N 3.17Å; T131-R134 PolarHBondContact O-N 3.14Å; T131-L135 HydrophobicContact CG2-CD1 4.28Å; T131-L135 WeakPolarHBondContact O-CD1 3.42Å; T131-L135 VanDerWaalsContact O-CG 3.29Å; T131-L135 WeakPolarHBondContact O-CG 3.4Å; T131-L135 PolarHBondContact O-N 2.9Å; T131-I160 HydrophobicContact CG2-CD1 3.65Å; T131-I160 HydrophobicContact CG2-CG1 4.43Å; T131-G257 WeakPolarHBondContact CG2-O 2.97Å; T131-G257 PolarHBondContact OG1-O 3.11Å; T131-I259 HydrophobicContact CG2-CD1 4.18Å; T131-I259 HydrophobicContact CG2-CG1 4.04Å; T131-F280 HydrophobicContact CG2-CZ 4.28Å; T131-M281 WeakPolarHBondContact OG1-CE 3.49Å
132	G	98.9	Very high	98.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-50.2	174.8	0	0	0	0	0	112.1	A128 E129 R134 L135 A136 H163	A128-G132 PolarHBondContact O-N 3.12Å; E129-G132 PolarHBondContact O-N 3.08Å; E129-G132 VanDerWaalsContact O-N 3.13Å; G132-R134 VanDerWaalsContact C-N 3.29Å; G132-R134 PolarHBondContact O-N 3.25Å; G132-L135 PolarHBondContact O-N 2.94Å; G132-A136 PolarHBondContact O-N 2.94Å; G132-H163 WeakPolarHBondContact O-CB 3.28Å
133	L	98.9	Very high	98.7	Very high	91 Å²	91	52.1 Å²	52.1	48%	0.476	28%	0.278	S	S	.	.	H	α-helix	trans	-54.7	-44.5	172.9	-71.4	168.4	0	0	0	111.5	E129 A136 S137	E129-L133 HydrophobicContact CG-CD1 4.34Å; E129-L133 WeakPolarHBondContact O-CG 3.27Å; E129-L133 PolarHBondContact O-N 2.67Å; L133-A136 PolarHBondContact O-N 3.17Å; L133-S137 WeakPolarHBondContact O-CB 3.35Å; L133-S137 PolarHBondContact O-N 2.9Å
134	R	98.9	Very high	98.7	Very high	94 Å²	94	53.4 Å²	53.4	36%	0.355	28%	0.282	S	S	.	.	H	α-helix	trans	-62.1	-45.6	178.1	-179.2	57.5	176.1	146.5	-5.8	112.1	L130 T131 G132 S137 I259 F280	L130-R134 WeakPolarHBondContact O-CB 3.44Å; L130-R134 PolarHBondContact O-N 3.18Å; T131-R134 PolarHBondContact O-N 3.14Å; G132-R134 VanDerWaalsContact C-N 3.29Å; G132-R134 PolarHBondContact O-N 3.25Å; R134-S137 PolarHBondContact NH1-OG 3.43Å; R134-S137 PolarHBondContact O-N 2.81Å; R134-S137 PolarHBondContact O-OG 3.36Å; R134-I259 HydrophobicContact CB-CD1 4.37Å; R134-I259 HydrophobicContact CG-CD1 3.87Å; R134-F280 HydrophobicContact CB-CB 4.18Å; R134-F280 HydrophobicContact CB-CD1 4.13Å; R134-F280 HydrophobicContact CB-CD2 3.74Å; R134-F280 HydrophobicContact CB-CE1 4.44Å; R134-F280 HydrophobicContact CB-CE2 4.11Å; R134-F280 HydrophobicContact CB-CG 3.75Å; R134-F280 HydrophobicContact CB-CZ 4.44Å; R134-F280 HydrophobicContact CG-CB 3.98Å; R134-F280 HydrophobicContact CG-CD1 3.62Å; R134-F280 HydrophobicContact CG-CD2 4.16Å; R134-F280 HydrophobicContact CG-CE1 4.08Å; R134-F280 HydrophobicContact CG-CG 3.65Å
135	L	98.9	Very high	98.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.8	-44.8	179.5	-68.9	160.2	0	0	0	111.8	I103 T131 G132 S137 L138 F142 I160 L164 I226 I259	I103-L135 HydrophobicContact CD1-CD1 3.61Å; I103-L135 HydrophobicContact CD1-CD2 4.12Å; I103-L135 HydrophobicContact CD1-CG 4.39Å; T131-L135 HydrophobicContact CG2-CD1 4.28Å; T131-L135 WeakPolarHBondContact O-CD1 3.42Å; T131-L135 VanDerWaalsContact O-CG 3.29Å; T131-L135 WeakPolarHBondContact O-CG 3.4Å; T131-L135 PolarHBondContact O-N 2.9Å; G132-L135 PolarHBondContact O-N 2.94Å; L135-S137 VanDerWaalsContact C-N 3.3Å; L135-S137 PolarHBondContact O-N 2.87Å; L135-L138 WeakPolarHBondContact O-CB 3.45Å; L135-L138 PolarHBondContact O-N 3.05Å; L135-F142 HydrophobicContact CB-CE2 4.2Å; L135-F142 HydrophobicContact CB-CZ 4.21Å; L135-F142 HydrophobicContact CD2-CE1 4.37Å; L135-F142 HydrophobicContact CD2-CZ 3.91Å; L135-I160 HydrophobicContact CD1-CD1 4.4Å; L135-I160 HydrophobicContact CD1-CG2 3.58Å; L135-L164 HydrophobicContact CB-CD1 4.21Å; L135-L164 HydrophobicContact CB-CD2 4.34Å; L135-L164 HydrophobicContact CD1-CD1 4.26Å; L135-I226 HydrophobicContact CD1-CD1 4.17Å; L135-I226 HydrophobicContact CD2-CD1 4.31Å; L135-I259 HydrophobicContact CD2-CD1 4.1Å; L135-I259 HydrophobicContact CG-CD1 4.26Å
136	A	98.8	Very high	98.7	Very high	44 Å²	44	48.4 Å²	48.4	36%	0.364	26%	0.264	S	S	.	.	H	α-helix	trans	-61	-38.9	175.8	0	0	0	0	0	111.9	G132 L133 L138 G139 H163 L164	G132-A136 PolarHBondContact O-N 2.94Å; L133-A136 PolarHBondContact O-N 3.17Å; A136-L138 PolarHBondContact O-N 2.89Å; A136-G139 PolarHBondContact O-N 2.67Å; A136-G139 VanDerWaalsContact O-N 3.17Å; A136-H163 HydrophobicContact CB-CB 4.16Å; A136-L164 HydrophobicContact CB-CD2 4.3Å
137	S	98.7	Very high	98.7	Very high	75 Å²	75	45.2 Å²	45.2	52%	0.524	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-13.2	177.5	80.1	0	0	0	0	114.9	L133 R134 L135 G139	L133-S137 WeakPolarHBondContact O-CB 3.35Å; L133-S137 PolarHBondContact O-N 2.9Å; R134-S137 PolarHBondContact NH1-OG 3.43Å; R134-S137 PolarHBondContact O-N 2.81Å; R134-S137 PolarHBondContact O-OG 3.36Å; L135-S137 VanDerWaalsContact C-N 3.3Å; L135-S137 PolarHBondContact O-N 2.87Å; S137-G139 VanDerWaalsContact C-N 3.3Å
138	L	98.4	Very high	98.7	Very high	58 Å²	58	45.2 Å²	45.2	30%	0.304	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-14.1	178	-55.3	-178.2	0	0	0	113.2	F101 L135 A136 L140 F142	F101-L138 HydrophobicContact CE1-CD1 3.97Å; F101-L138 HydrophobicContact CZ-CD1 4.39Å; L135-L138 WeakPolarHBondContact O-CB 3.45Å; L135-L138 PolarHBondContact O-N 3.05Å; A136-L138 PolarHBondContact O-N 2.89Å; L138-L140 HydrophobicContact CB-CB 4.49Å; L138-L140 HydrophobicContact CB-CD1 3.81Å; L138-L140 HydrophobicContact CB-CG 3.76Å; L138-L140 HydrophobicContact CD1-CD1 3.95Å; L138-L140 PolarHBondContact O-N 2.9Å; L138-F142 HydrophobicContact CD1-CZ 4.39Å
139	G	97.8	Very high	98.7	Very high	75 Å²	75	46.3 Å²	46.3	77%	0.773	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	18.9	-177.4	0	0	0	0	0	114.4	A136 S137	A136-G139 PolarHBondContact O-N 2.67Å; A136-G139 VanDerWaalsContact O-N 3.17Å; S137-G139 VanDerWaalsContact C-N 3.3Å
140	L	98.2	Very high	98.7	Very high	51 Å²	51	44 Å²	44	27%	0.267	25%	0.246	S	C	.	.			trans	-93.6	133.9	-174.3	-59	175.9	0	0	0	112.1	F101 L138 F142 Y224	F101-L140 HydrophobicContact CE2-CD1 4.23Å; F101-L140 HydrophobicContact CZ-CD1 3.71Å; L138-L140 HydrophobicContact CB-CB 4.49Å; L138-L140 HydrophobicContact CB-CD1 3.81Å; L138-L140 HydrophobicContact CB-CG 3.76Å; L138-L140 HydrophobicContact CD1-CD1 3.95Å; L138-L140 PolarHBondContact O-N 2.9Å; L140-F142 HydrophobicContact CB-CD2 4.44Å; L140-F142 HydrophobicContact CB-CE1 4.45Å; L140-F142 HydrophobicContact CB-CE2 4.04Å; L140-F142 HydrophobicContact CB-CZ 4.06Å; L140-F142 HydrophobicContact CD1-CE1 4.44Å; L140-F142 HydrophobicContact CD1-CZ 4.24Å; L140-F142 VanDerWaalsContact O-CD2 3.29Å; L140-F142 WeakPolarHBondContact O-CD2 3.36Å; L140-F142 PolarHBondContact O-N 3.18Å; L140-F142 VanDerWaalsContact O-N 3.11Å; L140-Y224 HydrophobicContact CB-CD1 4.39Å; L140-Y224 HydrophobicContact CB-CG 4.25Å; L140-Y224 HydrophobicContact CD1-CD1 3.74Å; L140-Y224 HydrophobicContact CD1-CE1 4.13Å; L140-Y224 HydrophobicContact CD1-CG 4.36Å; L140-Y224 HydrophobicContact CD2-CD1 4.03Å; L140-Y224 HydrophobicContact CD2-CE1 3.72Å; L140-Y224 HydrophobicContact CD2-CE2 4.44Å; L140-Y224 HydrophobicContact CG-CD1 4.26Å; L140-Y224 HydrophobicContact CG-CE1 4.44Å
141	K	98.2	Very high	98.7	Very high	169 Å²	169	43.1 Å²	43.1	74%	0.735	24%	0.243	S	C	*	.			trans	-80.1	85.7	171.1	-175.3	-173.6	174	-168.8	0	109.8	N143	K141-N143 PolarHBondContact O-N 2.67Å
142	F	98.8	Very high	98.7	Very high	11 Å²	11	43.5 Å²	43.5	5%	0.048	24%	0.244	C	C	.	.			trans	-63.7	132.6	177.2	-62.9	-82	0	0	0	111.8	F101 L135 L138 L140 L164 V167 Y224 I226	F101-F142 HydrophobicContact CD2-CD1 4.43Å; F101-F142 AromaticContact CD2-CE1 3.77Å; F101-F142 HydrophobicContact CD2-CE1 3.77Å; F101-F142 AromaticContact CE2-CE1 3.79Å; F101-F142 HydrophobicContact CE2-CE1 3.79Å; F101-F142 HydrophobicContact CG-CE1 4.27Å; F101-F142 HydrophobicContact CZ-CE1 4.31Å; L135-F142 HydrophobicContact CB-CE2 4.2Å; L135-F142 HydrophobicContact CB-CZ 4.21Å; L135-F142 HydrophobicContact CD2-CE1 4.37Å; L135-F142 HydrophobicContact CD2-CZ 3.91Å; L138-F142 HydrophobicContact CD1-CZ 4.39Å; L140-F142 HydrophobicContact CB-CD2 4.44Å; L140-F142 HydrophobicContact CB-CE1 4.45Å; L140-F142 HydrophobicContact CB-CE2 4.04Å; L140-F142 HydrophobicContact CB-CZ 4.06Å; L140-F142 HydrophobicContact CD1-CE1 4.44Å; L140-F142 HydrophobicContact CD1-CZ 4.24Å; L140-F142 VanDerWaalsContact O-CD2 3.29Å; L140-F142 WeakPolarHBondContact O-CD2 3.36Å; L140-F142 PolarHBondContact O-N 3.18Å; L140-F142 VanDerWaalsContact O-N 3.11Å; F142-L164 HydrophobicContact CD2-CD1 4.14Å; F142-L164 HydrophobicContact CD2-CD2 3.79Å; F142-L164 HydrophobicContact CE2-CD1 4.39Å; F142-L164 HydrophobicContact CE2-CD2 3.88Å; F142-V167 HydrophobicContact CB-CG1 4.15Å; F142-V167 HydrophobicContact CB-CG2 4.19Å; F142-Y224 CarbonylContact C-O 3.6Å; F142-Y224 VanDerWaalsContact CA-O 3.3Å; F142-Y224 WeakPolarHBondContact CA-O 3.1Å; F142-I226 HydrophobicContact CB-CD1 4.21Å; F142-I226 HydrophobicContact CD1-CD1 3.47Å; F142-I226 VanDerWaalsContact CD1-CD1 3.47Å; F142-I226 HydrophobicContact CD1-CG1 3.58Å; F142-I226 HydrophobicContact CD2-CD1 4.05Å; F142-I226 HydrophobicContact CE1-CD1 3.71Å; F142-I226 HydrophobicContact CE1-CG1 3.75Å; F142-I226 HydrophobicContact CE2-CD1 4.26Å; F142-I226 HydrophobicContact CG-CD1 3.64Å; F142-I226 HydrophobicContact CG-CG1 4.24Å; F142-I226 HydrophobicContact CZ-CD1 4.1Å
143	N	98.6	Very high	98.7	Very high	81 Å²	81	43.5 Å²	43.5	43%	0.433	24%	0.244	S	C	.	.			trans	-78.5	-34.6	-177.1	-53.4	89.3	0	0	0	112.3	K141 S223 Y224	K141-N143 PolarHBondContact O-N 2.67Å; N143-S223 VanDerWaalsContact OD1-CA 3.24Å; N143-S223 WeakPolarHBondContact OD1-CA 2.98Å; N143-S223 VanDerWaalsContact OD1-CB 3.28Å; N143-S223 WeakPolarHBondContact OD1-CB 3.47Å; N143-Y224 PolarHBondContact N-O 2.76Å; N143-Y224 PolarHBondContact OD1-N 2.87Å; N143-Y224 PolarHBondContact OD1-O 2.84Å
144	K	98.6	Very high	98.7	Very high	63 Å²	63	41.9 Å²	41.9	27%	0.274	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	157.3	-177.1	67.2	-167.8	-178.7	-152.1	0	112	V146 C168 E225 I226	K144-V146 HydrophobicContact CD-CG2 3.93Å; K144-V146 HydrophobicContact CG-CG2 4.11Å; K144-C168 CarbonylContact C-O 3.52Å; K144-C168 WeakPolarHBondContact CA-O 3.42Å; K144-E225 WeakPolarHBondContact CE-OE2 3.47Å; K144-E225 HydrophobicContact CG-CG 4.5Å; K144-E225 IonicContact NZ-OE2 3.09Å; K144-E225 PolarHBondContact NZ-OE2 2.83Å; K144-I226 PolarHBondContact O-N 3.34Å; K144-I226 VanDerWaalsContact O-N 3.08Å
145	I	98.9	Very high	98.7	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	107.1	164.9	-61.5	159.1	0	0	0	107.5	T157 L164 V167 C168 K169 V170 I226 I228	I145-T157 HydrophobicContact CG2-CG2 3.79Å; I145-L164 HydrophobicContact CD1-CD1 4.14Å; I145-V167 HydrophobicContact CD1-CB 4.33Å; I145-V167 HydrophobicContact CD1-CG1 4.06Å; I145-V167 HydrophobicContact CG1-CG1 3.86Å; I145-C168 PolarHBondContact N-O 3.03Å; I145-K169 HydrophobicContact CB-CG 4.48Å; I145-K169 CarbonylContact O-C 3.52Å; I145-K169 WeakPolarHBondContact O-CA 3.27Å; I145-V170 PolarHBondContact O-N 3.44Å; I145-I226 HydrophobicContact CB-CB 4.46Å; I145-I226 HydrophobicContact CB-CG2 4.48Å; I145-I226 HydrophobicContact CG1-CB 4.02Å; I145-I226 HydrophobicContact CG1-CD1 4.02Å; I145-I226 HydrophobicContact CG1-CG2 4.19Å; I145-I226 HydrophobicContact CG2-CG2 4.02Å; I145-I228 HydrophobicContact CG2-CD1 3.73Å; I145-I228 HydrophobicContact CG2-CG1 4.26Å
146	V	98.9	Very high	98.7	Very high	4 Å²	4	40 Å²	40	2%	0.024	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	137.8	168.5	-172.8	0	0	0	0	107.7	K144 V170 T172 L175 Y211 I226 F227 I228	K144-V146 HydrophobicContact CD-CG2 3.93Å; K144-V146 HydrophobicContact CG-CG2 4.11Å; V146-V170 CarbonylContact C-O 3.58Å; V146-V170 WeakPolarHBondContact CA-O 3.37Å; V146-T172 HydrophobicContact CG1-CG2 3.62Å; V146-L175 HydrophobicContact CG1-CD1 3.8Å; V146-Y211 HydrophobicContact CG1-CE1 4.25Å; V146-I226 PolarHBondContact N-O 2.8Å; V146-F227 HydrophobicContact CB-CD1 3.67Å; V146-F227 HydrophobicContact CB-CE1 3.76Å; V146-F227 HydrophobicContact CG1-CD1 4.15Å; V146-F227 HydrophobicContact CG1-CE1 4.21Å; V146-F227 HydrophobicContact CG2-CD1 4.18Å; V146-F227 HydrophobicContact CG2-CE1 3.75Å; V146-F227 HydrophobicContact CG2-CZ 4.34Å; V146-F227 CarbonylContact O-C 3.52Å; V146-F227 VanDerWaalsContact O-CA 3.23Å; V146-F227 WeakPolarHBondContact O-CA 3.34Å; V146-I228 PolarHBondContact O-N 3.2Å
147	H	98.9	Very high	98.7	Very high	16 Å²	16	37.9 Å²	37.9	7%	0.074	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	156.9	-178.4	68.2	92.2	0	0	0	113.5	T157 V170 S171 T172 I228	H147-T157 HydrophobicContact CB-CG2 4.24Å; H147-T157 WeakPolarHBondContact CB-OG1 3.36Å; H147-V170 PolarHBondContact CD2-O 2.8Å; H147-V170 PolarHBondContact N-O 2.82Å; H147-S171 VanDerWaalsContact CE1-CB 3.48Å; H147-S171 WeakPolarHBondContact CE1-CB 3.48Å; H147-S171 CarbonylContact O-C 3.51Å; H147-S171 WeakPolarHBondContact O-CA 3.38Å; H147-T172 WeakPolarHBondContact O-CG2 3.34Å; H147-T172 PolarHBondContact O-N 3.03Å; H147-I228 CarbonylContact C-O 3.59Å; H147-I228 VanDerWaalsContact CA-O 3.28Å; H147-I228 WeakPolarHBondContact CA-O 3.41Å; H147-I228 HydrophobicContact CB-CB 4.04Å
148	S	98.9	Very high	98.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	147.9	171.8	-175.2	0	0	0	0	112.1	M150 L175 R176 I228 H230	S148-M150 PolarHBondContact O-N 2.94Å; S148-M150 PolarHBondContact OG-N 3.35Å; S148-L175 WeakPolarHBondContact CB-O 3.36Å; S148-L175 PolarHBondContact OG-O 3.39Å; S148-R176 VanDerWaalsContact OG-CA 3.31Å; S148-R176 WeakPolarHBondContact OG-CA 3.23Å; S148-R176 PolarHBondContact OG-N 3.43Å; S148-I228 PolarHBondContact N-O 3.42Å; S148-H230 VanDerWaalsContact CB-NE2 3.25Å; S148-H230 WeakPolarHBondContact CB-NE2 3.46Å; S148-H230 PolarHBondContact OG-NE2 3.14Å
149	S	98.8	Very high	98.7	Very high	24 Å²	24	35.2 Å²	35.2	17%	0.168	19%	0.193	C	C	.	.	S	Bend	trans	-77.5	9.6	171.5	60.9	0	0	0	0	115	T172 D173 R176	S149-T172 PolarHBondContact N-O 2.94Å; S149-D173 VanDerWaalsContact CB-OD1 3.28Å; S149-D173 WeakPolarHBondContact CB-OD1 3.36Å; S149-D173 PolarHBondContact OG-OD1 2.8Å; S149-R176 PolarHBondContact O-NH1 3.29Å; S149-R176 VanDerWaalsContact O-NH1 3.09Å; S149-R176 WeakPolarHBondContact OG-CD 3.47Å; S149-R176 WeakPolarHBondContact OG-CG 3.32Å; S149-R176 PolarHBondContact OG-NH1 3.5Å
150	M	98.8	Very high	98.8	Very high	23 Å²	23	31.6 Å²	31.6	11%	0.113	16%	0.156	C	C	.	.	S	Bend	trans	-88.4	137.6	174.9	-75.9	177.6	123.7	0	0	111	E115 S148 R152 A153 I154 R176 E177	E115-M150 VanDerWaalsContact OE1-CB 3.25Å; E115-M150 WeakPolarHBondContact OE1-CB 3.35Å; E115-M150 WeakPolarHBondContact OE1-CE 3.32Å; E115-M150 VanDerWaalsContact OE1-CG 3.26Å; E115-M150 WeakPolarHBondContact OE1-CG 3.28Å; S148-M150 PolarHBondContact O-N 2.94Å; S148-M150 PolarHBondContact OG-N 3.35Å; M150-R152 PolarHBondContact O-N 3.08Å; M150-R152 PolarHBondContact SD-NH2 2.99Å; M150-A153 WeakPolarHBondContact O-CA 3.41Å; M150-A153 WeakPolarHBondContact O-CB 3.44Å; M150-A153 PolarHBondContact O-N 2.82Å; M150-I154 PolarHBondContact O-N 2.8Å; M150-R176 HydrophobicContact CG-CB 4.25Å; M150-R176 HydrophobicContact CG-CG 4.04Å; M150-R176 VanDerWaalsContact CG-CZ 3.49Å; M150-R176 HydrophobicContact SD-CB 3.87Å; M150-R176 HydrophobicContact SD-CG 4.33Å; M150-E177 HydrophobicContact SD-CB 4.05Å; M150-E177 PolarHBondContact SD-N 3.49Å
151	T	98.8	Very high	98.8	Very high	27 Å²	27	30.1 Å²	30.1	17%	0.166	15%	0.15	C	C	.	.	H	α-helix	trans	-48	-56	-168	-49.1	0	0	0	0	114	E115 T119 A153 I154 E155	E115-T151 VanDerWaalsContact O-CB 3.3Å; E115-T151 WeakPolarHBondContact O-CB 3.5Å; E115-T151 PolarHBondContact O-OG1 3Å; T119-T151 HydrophobicContact CG2-CG2 4.01Å; T151-A153 PolarHBondContact O-N 2.85Å; T151-A153 VanDerWaalsContact O-N 3.12Å; T151-I154 WeakPolarHBondContact O-CB 3.44Å; T151-I154 PolarHBondContact O-N 3.31Å; T151-E155 PolarHBondContact O-N 3.31Å
152	R	98.8	Very high	98.8	Very high	8 Å²	8	30.3 Å²	30.3	3%	0.03	15%	0.146	C	C	.	.	H	α-helix	trans	-52.6	-31.4	175.1	64.1	-166.9	178.3	-80.3	-3.8	115	H105 Y108 E115 R118 L120 M150 T156 H230	H105-R152 HydrophobicContact CB-CB 4.41Å; H105-R152 HydrophobicContact CB-CG 4.07Å; Y108-R152 VanDerWaalsContact CD1-CD 3.46Å; Y108-R152 HydrophobicContact CD2-CB 4.28Å; Y108-R152 HydrophobicContact CD2-CG 4.48Å; Y108-R152 HydrophobicContact CG-CB 3.93Å; Y108-R152 VanDerWaalsContact CG-CD 3.4Å; Y108-R152 HydrophobicContact CG-CG 4.3Å; E115-R152 IonicContact OE1-CZ 3.35Å; E115-R152 IonicContact OE1-NH1 3.74Å; E115-R152 PolarHBondContact OE1-NH1 3.22Å; E115-R152 IonicContact OE2-NH1 3.36Å; R118-R152 PolarHBondContact O-N 3.36Å; L120-R152 HydrophobicContact CD2-CB 4.13Å; M150-R152 PolarHBondContact O-N 3.08Å; M150-R152 PolarHBondContact SD-NH2 2.99Å; R152-T156 WeakPolarHBondContact O-CB 3.46Å; R152-T156 PolarHBondContact O-N 2.88Å; R152-T156 VanDerWaalsContact O-N 3.14Å; R152-T156 PolarHBondContact O-OG1 2.89Å; R152-H230 VanDerWaalsContact CZ-CE1 3.49Å; R152-H230 PolarHBondContact NE-ND1 3.05Å; R152-H230 PolarHBondContact NH2-CE1 3.35Å; R152-H230 PolarHBondContact NH2-ND1 3.47Å; R152-H230 VanDerWaalsContact NH2-ND1 3.11Å
153	A	98.9	Very high	98.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-83.7	-35.3	177.1	0	0	0	0	0	112.1	H105 M150 T151 T157 I228	H105-A153 HydrophobicContact CB-CB 4.42Å; M150-A153 WeakPolarHBondContact O-CA 3.41Å; M150-A153 WeakPolarHBondContact O-CB 3.44Å; M150-A153 PolarHBondContact O-N 2.82Å; T151-A153 PolarHBondContact O-N 2.85Å; T151-A153 VanDerWaalsContact O-N 3.12Å; A153-T157 WeakPolarHBondContact O-CB 3.49Å; A153-T157 PolarHBondContact O-N 3.04Å; A153-T157 PolarHBondContact O-OG1 3.14Å; A153-I228 HydrophobicContact CB-CG2 4.41Å
154	I	98.9	Very high	98.8	Very high	57 Å²	57	28.4 Å²	28.4	29%	0.292	14%	0.135	S	C	.	.	H	α-helix	trans	-60.7	-52.5	170.3	-61.8	170.5	0	0	0	109.5	M150 T151 T156 T157 D158	M150-I154 PolarHBondContact O-N 2.8Å; T151-I154 WeakPolarHBondContact O-CB 3.44Å; T151-I154 PolarHBondContact O-N 3.31Å; I154-T156 PolarHBondContact O-N 3.44Å; I154-T157 CarbonylContact O-C 3.57Å; I154-T157 WeakPolarHBondContact O-CA 3.45Å; I154-T157 VanDerWaalsContact O-CB 3.25Å; I154-T157 WeakPolarHBondContact O-CB 3.41Å; I154-T157 PolarHBondContact O-N 3.44Å; I154-D158 PolarHBondContact O-N 2.66Å
155	E	98.9	Very high	98.8	Very high	54 Å²	54	30.6 Å²	30.6	25%	0.252	16%	0.156	S	C	.	.	H	α-helix	trans	-63.5	-38.4	179.2	-70.5	-173.5	-179.5	0	0	113.1	T119 L120 T151 T157 D158 I159	T119-E155 VanDerWaalsContact CB-OE1 3.31Å; T119-E155 WeakPolarHBondContact CB-OE1 3.29Å; T119-E155 WeakPolarHBondContact CG2-OE1 3.14Å; L120-E155 WeakPolarHBondContact CB-OE2 3.45Å; L120-E155 HydrophobicContact CD1-CB 3.76Å; L120-E155 HydrophobicContact CG-CB 3.83Å; L120-E155 WeakPolarHBondContact CG-OE2 3.39Å; L120-E155 PolarHBondContact N-OE2 3.03Å; T151-E155 PolarHBondContact O-N 3.31Å; E155-T157 VanDerWaalsContact C-N 3.26Å; E155-T157 PolarHBondContact O-N 3.02Å; E155-D158 PolarHBondContact O-N 3.44Å; E155-I159 PolarHBondContact O-N 2.86Å; E155-I159 VanDerWaalsContact O-N 3.14Å
156	T	98.9	Very high	98.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-40.1	172.2	-60.7	0	0	0	0	110.5	S106 A128 R152 I154 I160 I228	S106-T156 PolarHBondContact N-OG1 3.06Å; A128-T156 HydrophobicContact CB-CG2 4.18Å; R152-T156 WeakPolarHBondContact O-CB 3.46Å; R152-T156 PolarHBondContact O-N 2.88Å; R152-T156 VanDerWaalsContact O-N 3.14Å; R152-T156 PolarHBondContact O-OG1 2.89Å; I154-T156 PolarHBondContact O-N 3.44Å; T156-I160 HydrophobicContact CG2-CD1 3.74Å; T156-I160 HydrophobicContact CG2-CG1 4.45Å; T156-I160 WeakPolarHBondContact O-CB 3.36Å; T156-I160 WeakPolarHBondContact O-CG1 3.15Å; T156-I160 PolarHBondContact O-N 3.37Å; T156-I228 HydrophobicContact CG2-CG2 3.9Å
157	T	98.9	Very high	98.7	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.8	-41.6	176.6	-57.3	0	0	0	0	112.1	I145 H147 A153 I154 E155 I159 I160 S161 K169 I228	I145-T157 HydrophobicContact CG2-CG2 3.79Å; H147-T157 HydrophobicContact CB-CG2 4.24Å; H147-T157 WeakPolarHBondContact CB-OG1 3.36Å; A153-T157 WeakPolarHBondContact O-CB 3.49Å; A153-T157 PolarHBondContact O-N 3.04Å; A153-T157 PolarHBondContact O-OG1 3.14Å; I154-T157 CarbonylContact O-C 3.57Å; I154-T157 WeakPolarHBondContact O-CA 3.45Å; I154-T157 VanDerWaalsContact O-CB 3.25Å; I154-T157 WeakPolarHBondContact O-CB 3.41Å; I154-T157 PolarHBondContact O-N 3.44Å; E155-T157 VanDerWaalsContact C-N 3.26Å; E155-T157 PolarHBondContact O-N 3.02Å; T157-I159 PolarHBondContact O-N 2.88Å; T157-I160 PolarHBondContact O-N 3.41Å; T157-S161 VanDerWaalsContact O-CB 3.27Å; T157-S161 WeakPolarHBondContact O-CB 3.37Å; T157-S161 PolarHBondContact O-N 2.76Å; T157-S161 PolarHBondContact O-OG 3.34Å; T157-K169 HydrophobicContact CG2-CD 3.6Å; T157-K169 HydrophobicContact CG2-CG 4.34Å; T157-I228 HydrophobicContact CG2-CD1 4.16Å; T157-I228 WeakPolarHBondContact OG1-CD1 3.48Å
158	D	98.9	Very high	98.6	Very high	64 Å²	64	38.9 Å²	38.9	34%	0.342	23%	0.227	S	C	.	.	H	α-helix	trans	-74.2	-12.2	-178.4	-73.3	-28.1	0	0	0	114	I154 E155 R162 K169	I154-D158 PolarHBondContact O-N 2.66Å; E155-D158 PolarHBondContact O-N 3.44Å; D158-R162 PolarHBondContact O-NE 2.64Å; D158-R162 PolarHBondContact O-NH2 2.82Å; D158-K169 IonicContact OD1-NZ 3.84Å; D158-K169 PolarHBondContact OD1-NZ 3.34Å
159	I	98.9	Very high	98.6	Very high	12 Å²	12	43.2 Å²	43.2	6%	0.062	25%	0.246	C	C	.	.	H	α-helix	trans	-89.6	-55.7	165.8	-65.6	169.1	0	0	0	109.8	L120 R125 A128 E129 E155 T157 S161 R162	L120-I159 HydrophobicContact CD1-CD1 4.1Å; R125-I159 HydrophobicContact CB-CD1 3.84Å; R125-I159 HydrophobicContact CG-CD1 3.75Å; A128-I159 HydrophobicContact CB-CB 3.81Å; A128-I159 HydrophobicContact CB-CD1 3.89Å; A128-I159 HydrophobicContact CB-CG1 4.45Å; A128-I159 HydrophobicContact CB-CG2 3.73Å; E129-I159 HydrophobicContact CB-CG2 4.18Å; E129-I159 WeakPolarHBondContact OE2-CG2 3.38Å; E155-I159 PolarHBondContact O-N 2.86Å; E155-I159 VanDerWaalsContact O-N 3.14Å; T157-I159 PolarHBondContact O-N 2.88Å; I159-S161 VanDerWaalsContact C-N 3.27Å; I159-S161 PolarHBondContact O-N 3.03Å; I159-R162 WeakPolarHBondContact O-CB 3.49Å; I159-R162 WeakPolarHBondContact O-CG 3.24Å; I159-R162 PolarHBondContact O-N 3.34Å
160	I	98.9	Very high	98.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-55.2	-40.1	-178.5	-73	176.4	0	0	0	112.4	I103 A128 T131 L135 T156 T157 R162 H163 L164 I228	I103-I160 HydrophobicContact CD1-CD1 4.44Å; I103-I160 HydrophobicContact CG2-CD1 4.3Å; A128-I160 WeakPolarHBondContact O-CG1 3.23Å; T131-I160 HydrophobicContact CG2-CD1 3.65Å; T131-I160 HydrophobicContact CG2-CG1 4.43Å; L135-I160 HydrophobicContact CD1-CD1 4.4Å; L135-I160 HydrophobicContact CD1-CG2 3.58Å; T156-I160 HydrophobicContact CG2-CD1 3.74Å; T156-I160 HydrophobicContact CG2-CG1 4.45Å; T156-I160 WeakPolarHBondContact O-CB 3.36Å; T156-I160 WeakPolarHBondContact O-CG1 3.15Å; T156-I160 PolarHBondContact O-N 3.37Å; T157-I160 PolarHBondContact O-N 3.41Å; I160-R162 PolarHBondContact O-N 3.29Å; I160-H163 PolarHBondContact O-N 2.89Å; I160-H163 VanDerWaalsContact O-N 3.17Å; I160-L164 HydrophobicContact CG2-CD1 4.01Å; I160-I228 HydrophobicContact CB-CD1 4.3Å; I160-I228 HydrophobicContact CD1-CD1 3.95Å; I160-I228 HydrophobicContact CG2-CD1 4.28Å
161	S	98.7	Very high	98.6	Very high	19 Å²	19	47.1 Å²	47.1	13%	0.133	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-11.9	-178.5	52.9	0	0	0	0	115	T157 I159 H163 L164 K169	T157-S161 VanDerWaalsContact O-CB 3.27Å; T157-S161 WeakPolarHBondContact O-CB 3.37Å; T157-S161 PolarHBondContact O-N 2.76Å; T157-S161 PolarHBondContact O-OG 3.34Å; I159-S161 VanDerWaalsContact C-N 3.27Å; I159-S161 PolarHBondContact O-N 3.03Å; S161-H163 VanDerWaalsContact C-N 3.32Å; S161-L164 CarbonylContact O-C 3.57Å; S161-L164 PolarHBondContact O-N 3.41Å; S161-K169 PolarHBondContact OG-NZ 2.79Å
162	R	98.8	Very high	98.6	Very high	173 Å²	173	46.7 Å²	46.7	65%	0.653	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-33.2	172.6	-58.4	171.9	-164.1	-179.9	3.8	111.9	D158 I159 I160 L164	D158-R162 PolarHBondContact O-NE 2.64Å; D158-R162 PolarHBondContact O-NH2 2.82Å; I159-R162 WeakPolarHBondContact O-CB 3.49Å; I159-R162 WeakPolarHBondContact O-CG 3.24Å; I159-R162 PolarHBondContact O-N 3.34Å; I160-R162 PolarHBondContact O-N 3.29Å; R162-L164 VanDerWaalsContact C-N 3.3Å
163	H	98.8	Very high	98.6	Very high	40 Å²	40	51.2 Å²	51.2	19%	0.185	30%	0.295	C	S	.	.	S	Bend	trans	-81.7	-11.3	177.8	-60.4	-85.1	0	0	0	112.8	E129 G132 A136 I160 S161 P165	E129-H163 IonicContact OE1-CE1 2.83Å; E129-H163 PolarHBondContact OE1-CE1 2.73Å; E129-H163 IonicContact OE1-NE2 3.86Å; E129-H163 PolarHBondContact OE1-NE2 3.2Å; E129-H163 VanDerWaalsContact OE1-NE2 3.07Å; E129-H163 IonicContact OE2-CD2 2.82Å; E129-H163 IonicContact OE2-CE1 3.11Å; E129-H163 IonicContact OE2-NE2 3.07Å; E129-H163 PolarHBondContact OE2-NE2 3.16Å; G132-H163 WeakPolarHBondContact O-CB 3.28Å; A136-H163 HydrophobicContact CB-CB 4.16Å; I160-H163 PolarHBondContact O-N 2.89Å; I160-H163 VanDerWaalsContact O-N 3.17Å; S161-H163 VanDerWaalsContact C-N 3.32Å; H163-P165 WeakPolarHBondContact O-CD 3.19Å
164	L	98.5	Very high	98.6	Very high	12 Å²	12	53.3 Å²	53.3	6%	0.063	31%	0.306	C	S	.	.	S	Bend	trans	-124.4	61.6	-174.7	-58.6	179.2	0	0	0	110.7	L135 A136 F142 I145 I160 S161 R162 V167 I226	L135-L164 HydrophobicContact CB-CD1 4.21Å; L135-L164 HydrophobicContact CB-CD2 4.34Å; L135-L164 HydrophobicContact CD1-CD1 4.26Å; A136-L164 HydrophobicContact CB-CD2 4.3Å; F142-L164 HydrophobicContact CD2-CD1 4.14Å; F142-L164 HydrophobicContact CD2-CD2 3.79Å; F142-L164 HydrophobicContact CE2-CD1 4.39Å; F142-L164 HydrophobicContact CE2-CD2 3.88Å; I145-L164 HydrophobicContact CD1-CD1 4.14Å; I160-L164 HydrophobicContact CG2-CD1 4.01Å; S161-L164 CarbonylContact O-C 3.57Å; S161-L164 PolarHBondContact O-N 3.41Å; R162-L164 VanDerWaalsContact C-N 3.3Å; L164-V167 HydrophobicContact CB-CB 4.42Å; L164-V167 HydrophobicContact CB-CG2 4Å; L164-V167 WeakPolarHBondContact O-CB 3.41Å; L164-V167 WeakPolarHBondContact O-CG2 3.34Å; L164-V167 PolarHBondContact O-N 3.31Å; L164-I226 HydrophobicContact CD1-CD1 3.44Å; L164-I226 VanDerWaalsContact CD1-CD1 3.44Å
165	P	97.6	Very high	98.6	Very high	110 Å²	110	50.7 Å²	50.7	71%	0.714	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	140.1	-174.5	26.5	-35.6	0	0	0	112.1	H163 V167	H163-P165 WeakPolarHBondContact O-CD 3.19Å; P165-V167 VanDerWaalsContact C-N 3.26Å; P165-V167 PolarHBondContact O-N 3.46Å
166	G	96.9	Very high	98.6	Very high	88 Å²	88	51.5 Å²	51.5	91%	0.907	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	-5.8	-179.9	0	0	0	0	0	115.5
167	V	98.6	Very high	98.6	Very high	28 Å²	28	53.4 Å²	53.4	17%	0.17	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-77.1	126.6	177.4	-176.3	0	0	0	0	110.6	F142 I145 L164 P165	F142-V167 HydrophobicContact CB-CG1 4.15Å; F142-V167 HydrophobicContact CB-CG2 4.19Å; I145-V167 HydrophobicContact CD1-CB 4.33Å; I145-V167 HydrophobicContact CD1-CG1 4.06Å; I145-V167 HydrophobicContact CG1-CG1 3.86Å; L164-V167 HydrophobicContact CB-CB 4.42Å; L164-V167 HydrophobicContact CB-CG2 4Å; L164-V167 WeakPolarHBondContact O-CB 3.41Å; L164-V167 WeakPolarHBondContact O-CG2 3.34Å; L164-V167 PolarHBondContact O-N 3.31Å; P165-V167 VanDerWaalsContact C-N 3.26Å; P165-V167 PolarHBondContact O-N 3.46Å
168	C	98.3	Very high	98.5	Very high	77 Å²	77	53.8 Å²	53.8	52%	0.52	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	134	-177.6	-176.7	0	0	0	0	112.2	K144 I145	K144-C168 CarbonylContact C-O 3.52Å; K144-C168 WeakPolarHBondContact CA-O 3.42Å; I145-C168 PolarHBondContact N-O 3.03Å
169	K	98.8	Very high	98.3	Very high	91 Å²	91	50.9 Å²	50.9	40%	0.396	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	135	176.1	-68	-164.4	-77.6	-164	0	111.7	I145 T157 D158 S161	I145-K169 HydrophobicContact CB-CG 4.48Å; I145-K169 CarbonylContact O-C 3.52Å; I145-K169 WeakPolarHBondContact O-CA 3.27Å; T157-K169 HydrophobicContact CG2-CD 3.6Å; T157-K169 HydrophobicContact CG2-CG 4.34Å; D158-K169 IonicContact OD1-NZ 3.84Å; D158-K169 PolarHBondContact OD1-NZ 3.34Å; S161-K169 PolarHBondContact OG-NZ 2.79Å
170	V	98.8	Very high	98	Very high	64 Å²	64	50.3 Å²	50.3	39%	0.388	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	111.9	178.2	-176.3	0	0	0	0	110.6	I145 V146 H147	I145-V170 PolarHBondContact O-N 3.44Å; V146-V170 CarbonylContact C-O 3.58Å; V146-V170 WeakPolarHBondContact CA-O 3.37Å; H147-V170 PolarHBondContact CD2-O 2.8Å; H147-V170 PolarHBondContact N-O 2.82Å
171	S	98.8	Very high	97.8	Very high	66 Å²	66	52.5 Å²	52.5	46%	0.462	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	146.2	172.7	-169.3	0	0	0	0	111.2	H147	H147-S171 VanDerWaalsContact CE1-CB 3.48Å; H147-S171 WeakPolarHBondContact CE1-CB 3.48Å; H147-S171 CarbonylContact O-C 3.51Å; H147-S171 WeakPolarHBondContact O-CA 3.38Å
172	T	98.8	Very high	97.6	Very high	18 Å²	18	58 Å²	58	11%	0.11	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	137.8	177.6	177.9	0	0	0	0	113.1	V146 H147 S149 L174 L175 Y211	V146-T172 HydrophobicContact CG1-CG2 3.62Å; H147-T172 WeakPolarHBondContact O-CG2 3.34Å; H147-T172 PolarHBondContact O-N 3.03Å; S149-T172 PolarHBondContact N-O 2.94Å; T172-L174 VanDerWaalsContact C-N 3.34Å; T172-L174 PolarHBondContact OG1-N 2.97Å; T172-L175 HydrophobicContact CG2-CB 4.01Å; T172-L175 HydrophobicContact CG2-CD1 3.59Å; T172-L175 HydrophobicContact CG2-CG 3.71Å; T172-Y211 WeakPolarHBondContact CB-OH 3.25Å; T172-Y211 HydrophobicContact CG2-CE2 4.17Å; T172-Y211 WeakPolarHBondContact CG2-OH 3.28Å; T172-Y211 PolarHBondContact OG1-OH 2.69Å
173	D	98.6	Very high	97.5	Very high	103 Å²	103	50.1 Å²	50.1	55%	0.551	29%	0.294	S	S	*	.	S	Bend	trans	-76.2	-20.9	175	-66.6	-54.6	0	0	0	113.2	S149 L175 R176	S149-D173 VanDerWaalsContact CB-OD1 3.28Å; S149-D173 WeakPolarHBondContact CB-OD1 3.36Å; S149-D173 PolarHBondContact OG-OD1 2.8Å; D173-L175 PolarHBondContact O-N 3.11Å; D173-R176 VanDerWaalsContact O-CG 3.31Å; D173-R176 WeakPolarHBondContact O-CG 3.44Å; D173-R176 PolarHBondContact O-N 3.26Å; D173-R176 VanDerWaalsContact O-N 3.13Å
174	L	98.6	Very high	97.3	Very high	43 Å²	43	52.3 Å²	52.3	23%	0.225	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-33.4	176.9	-65	178.9	0	0	0	111.5	T172 R203 A206 A207 N210 Y211	T172-L174 VanDerWaalsContact C-N 3.34Å; T172-L174 PolarHBondContact OG1-N 2.97Å; L174-R203 HydrophobicContact CD2-CG 4.32Å; L174-R203 PolarHBondContact O-NH1 3.24Å; L174-R203 VanDerWaalsContact O-NH1 3.13Å; L174-A206 HydrophobicContact CD2-CB 4.37Å; L174-A207 HydrophobicContact CB-CB 3.85Å; L174-N210 HydrophobicContact CD1-CB 4.45Å; L174-N210 WeakPolarHBondContact CD1-ND2 3.34Å; L174-Y211 HydrophobicContact CB-CE2 4.28Å; L174-Y211 HydrophobicContact CD1-CE2 4.14Å
175	L	98.8	Very high	97.2	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	13.9	-179	-62.4	176.7	0	0	0	114.4	V146 S148 T172 D173 A207 Y211 F227 C229 H230 V233	V146-L175 HydrophobicContact CG1-CD1 3.8Å; S148-L175 WeakPolarHBondContact CB-O 3.36Å; S148-L175 PolarHBondContact OG-O 3.39Å; T172-L175 HydrophobicContact CG2-CB 4.01Å; T172-L175 HydrophobicContact CG2-CD1 3.59Å; T172-L175 HydrophobicContact CG2-CG 3.71Å; D173-L175 PolarHBondContact O-N 3.11Å; L175-A207 HydrophobicContact CD2-CB 3.97Å; L175-Y211 HydrophobicContact CD1-CD2 4.5Å; L175-Y211 HydrophobicContact CD1-CE2 4.28Å; L175-Y211 HydrophobicContact CD2-CD2 4.24Å; L175-Y211 HydrophobicContact CD2-CE2 4.39Å; L175-Y211 HydrophobicContact CG-CD2 4.4Å; L175-Y211 HydrophobicContact CG-CE2 4.1Å; L175-F227 HydrophobicContact CD1-CD1 4.09Å; L175-C229 HydrophobicContact CB-CB 3.94Å; L175-H230 PolarHBondContact O-CD2 3.46Å; L175-V233 HydrophobicContact CD2-CG1 3.86Å
176	R	98.8	Very high	96.9	Very high	71 Å²	71	54.2 Å²	54.2	27%	0.268	32%	0.32	S	S	.	.	S	Bend	trans	-61.4	150.1	168	-63.6	178.3	74.7	80.4	-1.6	110.3	S148 S149 M150 D173 R203 V233	S148-R176 VanDerWaalsContact OG-CA 3.31Å; S148-R176 WeakPolarHBondContact OG-CA 3.23Å; S148-R176 PolarHBondContact OG-N 3.43Å; S149-R176 PolarHBondContact O-NH1 3.29Å; S149-R176 VanDerWaalsContact O-NH1 3.09Å; S149-R176 WeakPolarHBondContact OG-CD 3.47Å; S149-R176 WeakPolarHBondContact OG-CG 3.32Å; S149-R176 PolarHBondContact OG-NH1 3.5Å; M150-R176 HydrophobicContact CG-CB 4.25Å; M150-R176 HydrophobicContact CG-CG 4.04Å; M150-R176 VanDerWaalsContact CG-CZ 3.49Å; M150-R176 HydrophobicContact SD-CB 3.87Å; M150-R176 HydrophobicContact SD-CG 4.33Å; D173-R176 VanDerWaalsContact O-CG 3.31Å; D173-R176 WeakPolarHBondContact O-CG 3.44Å; D173-R176 PolarHBondContact O-N 3.26Å; D173-R176 VanDerWaalsContact O-N 3.13Å; R176-R203 PolarHBondContact O-NH1 3.42Å; R176-R203 PolarHBondContact O-NH2 2.85Å; R176-V233 VanDerWaalsContact O-CG2 3.26Å; R176-V233 WeakPolarHBondContact O-CG2 3.29Å
177	E	98.3	Very high	96.5	Very high	40 Å²	40	51.7 Å²	51.7	19%	0.187	29%	0.287	C	S	.	.			trans	-61.1	153.7	174.2	-170	62.1	-58.1	0	0	110	M150 R203 H230 A231 N232 V233	M150-E177 HydrophobicContact SD-CB 4.05Å; M150-E177 PolarHBondContact SD-N 3.49Å; E177-R203 PolarHBondContact O-NH2 3.14Å; E177-H230 HydrophobicContact CB-CB 3.63Å; E177-H230 HydrophobicContact CG-CB 3.86Å; E177-H230 PolarHBondContact N-CD2 3.29Å; E177-H230 WeakPolarHBondContact OE1-CB 3.3Å; E177-H230 WeakPolarHBondContact OE2-CB 3.35Å; E177-A231 PolarHBondContact OE2-N 2.86Å; E177-N232 WeakPolarHBondContact OE1-CA 3.4Å; E177-N232 WeakPolarHBondContact OE1-CB 3.29Å; E177-N232 PolarHBondContact OE1-N 2.94Å; E177-N232 PolarHBondContact OE2-N 3.35Å; E177-V233 PolarHBondContact OE1-N 2.78Å
178	G	96.6	Very high	95.7	Very high	8 Å²	8	55.6 Å²	55.6	8%	0.082	32%	0.316	C	S	.	.			trans	-171.7	179.9	178.5	0	0	0	0	0	113.5	P180 D200 N232	G178-P180 VanDerWaalsContact O-CD 3.3Å; G178-P180 WeakPolarHBondContact O-CD 3.32Å; G178-D200 VanDerWaalsContact CA-CG 3.43Å; G178-D200 WeakPolarHBondContact CA-OD2 3.44Å; G178-N232 VanDerWaalsContact O-CB 3.23Å; G178-N232 WeakPolarHBondContact O-CB 3.19Å; G178-N232 PolarHBondContact O-ND2 3.05Å
179	A	95.1	Very high	95	Very high	3 Å²	3	59.7 Å²	59.7	3%	0.025	33%	0.327	C	S	.	.			trans	-95	99.5	174.9	0	0	0	0	0	110.4	W190 P192 Y197 D200	A179-W190 HydrophobicContact CB-CH2 3.87Å; A179-W190 HydrophobicContact CB-CZ2 4.13Å; A179-P192 HydrophobicContact CB-CB 3.93Å; A179-P192 HydrophobicContact CB-CG 3.71Å; A179-Y197 HydrophobicContact CB-CD1 3.6Å; A179-Y197 HydrophobicContact CB-CE1 3.75Å; A179-Y197 HydrophobicContact CB-CG 4.29Å; A179-Y197 WeakPolarHBondContact O-CA 3.35Å; A179-D200 PolarHBondContact N-OD2 2.89Å; A179-D200 WeakPolarHBondContact O-CB 3.17Å
180	P	92.4	Very high	94.2	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.323	C	S	.	.			trans	-72.7	-46.2	-166.4	27	-35	0	0	0	114.1	G178 G201 I204 N232 Y236 W249	G178-P180 VanDerWaalsContact O-CD 3.3Å; G178-P180 WeakPolarHBondContact O-CD 3.32Å; P180-G201 WeakPolarHBondContact O-CA 3.43Å; P180-I204 HydrophobicContact CB-CD1 4.05Å; P180-I204 HydrophobicContact CB-CG2 4.37Å; P180-N232 HydrophobicContact CG-CB 4.34Å; P180-Y236 HydrophobicContact CB-CD2 3.55Å; P180-Y236 HydrophobicContact CB-CE2 4.1Å; P180-Y236 HydrophobicContact CB-CG 3.77Å; P180-Y236 HydrophobicContact CG-CD2 4.17Å; P180-Y236 HydrophobicContact CG-CG 4.43Å; P180-W249 HydrophobicContact CG-CD2 3.82Å; P180-W249 HydrophobicContact CG-CE3 4.26Å; P180-W249 HydrophobicContact CG-CG 4.21Å; P180-W249 HydrophobicContact CG-CH2 4.4Å; P180-W249 HydrophobicContact CG-CZ2 3.96Å
181	I	95.1	Very high	93.4	Very high	46 Å²	46	63.5 Å²	63.5	24%	0.236	34%	0.336	C	S	.	.	S	Bend	trans	-159	167	168.6	55.3	171.6	0	0	0	108.2	Y197 Y236 P246 E247 W249	I181-Y197 WeakPolarHBondContact O-CE1 3.14Å; I181-Y236 HydrophobicContact CD1-CE2 4.37Å; I181-Y236 HydrophobicContact CG1-CE2 4.24Å; I181-Y236 HydrophobicContact CG2-CE2 4.43Å; I181-P246 HydrophobicContact CD1-CB 3.68Å; I181-P246 HydrophobicContact CD1-CG 3.66Å; I181-E247 HydrophobicContact CD1-CG 4Å; I181-W249 PolarHBondContact O-NE1 2.86Å
182	E	95.2	Very high	92.7	Very high	134 Å²	134	61.3 Å²	61.3	63%	0.626	32%	0.321	S	S	*	.			trans	-57.7	130.9	174.4	-167.9	167.8	-161.6	0	0	111.2
183	P	96.1	Very high	92.1	Very high	8 Å²	8	67.1 Å²	67.1	5%	0.052	35%	0.346	C	S	.	.			trans	-86.6	145.5	-177.1	32.2	-33.8	0	0	0	113	P185 P186 W190 Y197 E247 W249 L250	P183-P185 CarbonylContact O-C 3.36Å; P183-P186 WeakPolarHBondContact O-CA 3.33Å; P183-W190 HydrophobicContact CG-CZ3 4.47Å; P183-Y197 WeakPolarHBondContact CD-OH 3.14Å; P183-E247 WeakPolarHBondContact CA-O 3.29Å; P183-W249 HydrophobicContact CB-CZ2 4.27Å; P183-W249 HydrophobicContact CG-CZ2 4.38Å; P183-L250 HydrophobicContact CB-CB 3.93Å; P183-L250 HydrophobicContact CB-CD1 3.61Å; P183-L250 HydrophobicContact CB-CG 3.74Å; P183-L250 HydrophobicContact CG-CD1 3.52Å; P183-L250 HydrophobicContact CG-CG 4.15Å
184	D	94.9	Very high	91.5	Very high	86 Å²	86	65.2 Å²	65.2	46%	0.46	35%	0.345	S	S	.	.	S	Bend	trans	-116.2	123.7	168.6	176.9	49.6	0	0	0	110.2	E247 R251	D184-E247 HydrophobicContact CB-CB 3.92Å; D184-E247 PolarHBondContact N-O 3.09Å; D184-R251 VanDerWaalsContact O-CZ 3.26Å; D184-R251 PolarHBondContact O-NE 2.81Å; D184-R251 PolarHBondContact O-NH2 3.13Å; D184-R251 IonicContact OD2-CZ 2.67Å; D184-R251 IonicContact OD2-NH2 2.64Å; D184-R251 PolarHBondContact OD2-NH2 3.41Å
185	P	96	Very high	91	Very high	78 Å²	78	66.7 Å²	66.7	51%	0.506	36%	0.356	S	S	.	.	S	Bend	cis	-70.8	152	-3.8	30.6	-36.2	0	0	0	112.8	P183	P183-P185 CarbonylContact O-C 3.36Å
186	P	91.4	Very high	90.5	Very high	84 Å²	84	70.9 Å²	70.9	55%	0.545	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-68.7	142.3	176.7	28.8	-35.4	0	0	0	111.2	P183	P183-P186 WeakPolarHBondContact O-CA 3.33Å
187	V	88.9	Confident	90.1	Very high	35 Å²	35	69.1 Å²	69.1	21%	0.212	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-103	149.2	178.2	-64.2	0	0	0	0	111.9	W190 K191 L250	V187-W190 HydrophobicContact CG2-CB 3.99Å; V187-W190 HydrophobicContact CG2-CE3 4.37Å; V187-W190 WeakPolarHBondContact CG2-O 3.42Å; V187-K191 WeakPolarHBondContact O-CE 3.38Å; V187-K191 WeakPolarHBondContact O-CG 3.24Å; V187-L250 HydrophobicContact CB-CD1 4.45Å; V187-L250 HydrophobicContact CG1-CD1 3.85Å; V187-L250 HydrophobicContact CG2-CD1 3.69Å
188	S	82.5	Confident	89.8	Confident	110 Å²	110	75.9 Å²	75.9	77%	0.769	39%	0.394	S	S	*	.	S	Bend	trans	-80.7	-34.9	-176.6	51.7	0	0	0	0	113.9
189	H	82.4	Confident	89.7	Confident	164 Å²	164	82 Å²	82	76%	0.759	42%	0.42	S	S	*	.	S	Bend	trans	-92	-4.1	-170.1	59.1	-95.1	0	0	0	114.4
190	W	82.3	Confident	89.8	Confident	80 Å²	80	83.4 Å²	83.4	30%	0.303	43%	0.428	S	S	.	.			trans	-144.8	104.3	-179.3	-175.8	84.6	0	0	0	109.3	A179 P183 V187 P192 Y197 W249 L250	A179-W190 HydrophobicContact CB-CH2 3.87Å; A179-W190 HydrophobicContact CB-CZ2 4.13Å; P183-W190 HydrophobicContact CG-CZ3 4.47Å; V187-W190 HydrophobicContact CG2-CB 3.99Å; V187-W190 HydrophobicContact CG2-CE3 4.37Å; V187-W190 WeakPolarHBondContact CG2-O 3.42Å; W190-P192 HydrophobicContact CD2-CG 4.11Å; W190-P192 HydrophobicContact CE3-CG 4.16Å; W190-P192 HydrophobicContact CH2-CG 3.39Å; W190-P192 HydrophobicContact CZ2-CG 3.33Å; W190-P192 HydrophobicContact CZ3-CG 3.82Å; W190-Y197 HydrophobicContact CH2-CE1 4.28Å; W190-Y197 HydrophobicContact CZ3-CE1 4.36Å; W190-W249 HydrophobicContact CE3-CH2 4.43Å; W190-W249 AromaticContact CH2-CH2 3.41Å; W190-W249 HydrophobicContact CH2-CH2 3.41Å; W190-W249 VanDerWaalsContact CH2-CH2 3.41Å; W190-W249 AromaticContact CH2-CZ2 3.61Å; W190-W249 HydrophobicContact CH2-CZ2 3.61Å; W190-W249 HydrophobicContact CZ2-CH2 4.22Å; W190-W249 AromaticContact CZ3-CH2 3.55Å; W190-W249 HydrophobicContact CZ3-CH2 3.55Å; W190-W249 AromaticContact CZ3-CZ2 3.55Å; W190-W249 HydrophobicContact CZ3-CZ2 3.55Å; W190-L250 HydrophobicContact CE3-CD1 4.38Å
191	K	82.2	Confident	90	Very high	155 Å²	155	83.9 Å²	83.9	67%	0.674	43%	0.432	S	S	*	.			trans	-138.2	88.2	178.9	-67.8	-168.2	175.6	-166.9	0	110	V187	V187-K191 WeakPolarHBondContact O-CE 3.38Å; V187-K191 WeakPolarHBondContact O-CG 3.24Å
192	P	84.8	Confident	90.1	Very high	20 Å²	20	84.8 Å²	84.8	13%	0.13	45%	0.447	C	S	.	.			trans	-54.4	154.1	166.4	-23.5	32.5	0	0	0	112	A179 W190 Q196 Y197	A179-P192 HydrophobicContact CB-CB 3.93Å; A179-P192 HydrophobicContact CB-CG 3.71Å; W190-P192 HydrophobicContact CD2-CG 4.11Å; W190-P192 HydrophobicContact CE3-CG 4.16Å; W190-P192 HydrophobicContact CH2-CG 3.39Å; W190-P192 HydrophobicContact CZ2-CG 3.33Å; W190-P192 HydrophobicContact CZ3-CG 3.82Å; P192-Q196 VanDerWaalsContact CA-OE1 3.27Å; P192-Q196 HydrophobicContact CB-CB 4.09Å; P192-Y197 HydrophobicContact CB-CD2 4.29Å; P192-Y197 HydrophobicContact CB-CE2 3.91Å; P192-Y197 HydrophobicContact CG-CE1 4.36Å; P192-Y197 HydrophobicContact CG-CE2 4.29Å; P192-Y197 WeakPolarHBondContact O-CE2 3.46Å
193	E	84.6	Confident	90.3	Very high	139 Å²	139	80.9 Å²	80.9	65%	0.65	43%	0.426	S	S	*	.			trans	-72	154.9	170.9	-65.8	-174	179.6	0	0	111.3	V195 Q196 Y197	E193-V195 HydrophobicContact CB-CG1 4.14Å; E193-V195 PolarHBondContact O-N 3.02Å; E193-V195 VanDerWaalsContact O-N 3.14Å; E193-Q196 HydrophobicContact CB-CG 4.41Å; E193-Q196 WeakPolarHBondContact O-CB 3.37Å; E193-Q196 PolarHBondContact O-N 2.92Å; E193-Y197 PolarHBondContact O-N 2.89Å
194	A	85.6	Confident	90.4	Very high	64 Å²	64	80.5 Å²	80.5	53%	0.529	42%	0.424	S	S	.	.	H	α-helix	trans	-54.1	-37.2	-178.3	0	0	0	0	0	113.2	Q196 Y197 Y198	A194-Q196 VanDerWaalsContact C-N 3.3Å; A194-Q196 PolarHBondContact O-N 3.32Å; A194-Y197 PolarHBondContact O-N 3.12Å; A194-Y198 HydrophobicContact CB-CE2 4.3Å; A194-Y198 WeakPolarHBondContact O-CD2 3.5Å; A194-Y198 PolarHBondContact O-N 3.16Å
195	V	88.2	Confident	90.6	Very high	73 Å²	73	77.9 Å²	77.9	44%	0.442	41%	0.409	S	S	.	.	H	α-helix	trans	-58.9	-38.9	176.4	65	0	0	0	0	112.6	E193 Y197 Y198 E199	E193-V195 HydrophobicContact CB-CG1 4.14Å; E193-V195 PolarHBondContact O-N 3.02Å; E193-V195 VanDerWaalsContact O-N 3.14Å; V195-Y197 PolarHBondContact O-N 3.24Å; V195-Y198 PolarHBondContact O-N 3.37Å; V195-E199 PolarHBondContact O-N 3.19Å; V195-E199 VanDerWaalsContact O-N 3.08Å
196	Q	89.3	Confident	90.7	Very high	90 Å²	90	75.8 Å²	75.8	42%	0.421	40%	0.398	S	S	.	.	H	α-helix	trans	-66.6	-40.8	-179.7	-55	-174.4	-78.7	0	0	110.8	P192 E193 A194 Y198 E199 D200	P192-Q196 VanDerWaalsContact CA-OE1 3.27Å; P192-Q196 HydrophobicContact CB-CB 4.09Å; E193-Q196 HydrophobicContact CB-CG 4.41Å; E193-Q196 WeakPolarHBondContact O-CB 3.37Å; E193-Q196 PolarHBondContact O-N 2.92Å; A194-Q196 VanDerWaalsContact C-N 3.3Å; A194-Q196 PolarHBondContact O-N 3.32Å; Q196-Y198 VanDerWaalsContact C-N 3.32Å; Q196-Y198 PolarHBondContact O-N 3.31Å; Q196-E199 PolarHBondContact O-N 2.86Å; Q196-D200 VanDerWaalsContact O-CB 3.28Å; Q196-D200 WeakPolarHBondContact O-CB 3.47Å; Q196-D200 PolarHBondContact O-N 3.49Å
197	Y	90.9	Very high	91	Very high	34 Å²	34	71.8 Å²	71.8	13%	0.133	37%	0.372	C	S	.	.	H	α-helix	trans	-63.4	-34.2	174.5	-71.1	-67.6	0	0	0	113.1	A179 I181 P183 W190 P192 E193 A194 V195 G201	A179-Y197 HydrophobicContact CB-CD1 3.6Å; A179-Y197 HydrophobicContact CB-CE1 3.75Å; A179-Y197 HydrophobicContact CB-CG 4.29Å; A179-Y197 WeakPolarHBondContact O-CA 3.35Å; I181-Y197 WeakPolarHBondContact O-CE1 3.14Å; P183-Y197 WeakPolarHBondContact CD-OH 3.14Å; W190-Y197 HydrophobicContact CH2-CE1 4.28Å; W190-Y197 HydrophobicContact CZ3-CE1 4.36Å; P192-Y197 HydrophobicContact CB-CD2 4.29Å; P192-Y197 HydrophobicContact CB-CE2 3.91Å; P192-Y197 HydrophobicContact CG-CE1 4.36Å; P192-Y197 HydrophobicContact CG-CE2 4.29Å; P192-Y197 WeakPolarHBondContact O-CE2 3.46Å; E193-Y197 PolarHBondContact O-N 2.89Å; A194-Y197 PolarHBondContact O-N 3.12Å; V195-Y197 PolarHBondContact O-N 3.24Å; Y197-G201 VanDerWaalsContact O-CA 3.29Å; Y197-G201 WeakPolarHBondContact O-CA 3.49Å; Y197-G201 PolarHBondContact O-N 3.34Å
198	Y	90.8	Very high	91.5	Very high	183 Å²	183	70.2 Å²	70.2	72%	0.718	36%	0.362	S	S	*	.	H	α-helix	trans	-70.2	-47.6	176.1	-69.3	-59.7	0	0	0	112.3	A194 V195 Q196 A202	A194-Y198 HydrophobicContact CB-CE2 4.3Å; A194-Y198 WeakPolarHBondContact O-CD2 3.5Å; A194-Y198 PolarHBondContact O-N 3.16Å; V195-Y198 PolarHBondContact O-N 3.37Å; Q196-Y198 VanDerWaalsContact C-N 3.32Å; Q196-Y198 PolarHBondContact O-N 3.31Å; Y198-A202 VanDerWaalsContact O-CB 3.29Å; Y198-A202 WeakPolarHBondContact O-CB 3.2Å; Y198-A202 PolarHBondContact O-N 2.95Å; Y198-A202 VanDerWaalsContact O-N 3.16Å
199	E	94.8	Very high	92.3	Very high	135 Å²	135	69.8 Å²	69.8	63%	0.631	34%	0.344	S	S	*	.	H	α-helix	trans	-69.5	-50.9	-178.2	-67.1	-175.1	166.8	0	0	112.2	V195 Q196 R203	V195-E199 PolarHBondContact O-N 3.19Å; V195-E199 VanDerWaalsContact O-N 3.08Å; Q196-E199 PolarHBondContact O-N 2.86Å; E199-R203 WeakPolarHBondContact O-CB 3.46Å; E199-R203 PolarHBondContact O-N 3.09Å; E199-R203 VanDerWaalsContact O-N 3.14Å
200	D	97.1	Very high	93	Very high	34 Å²	34	66.6 Å²	66.6	18%	0.182	33%	0.332	C	S	.	.	H	α-helix	trans	-71.3	-37.1	-179.9	-74	-27.2	0	0	0	112	G178 A179 Q196 R203 I204	G178-D200 VanDerWaalsContact CA-CG 3.43Å; G178-D200 WeakPolarHBondContact CA-OD2 3.44Å; A179-D200 PolarHBondContact N-OD2 2.89Å; A179-D200 WeakPolarHBondContact O-CB 3.17Å; Q196-D200 VanDerWaalsContact O-CB 3.28Å; Q196-D200 WeakPolarHBondContact O-CB 3.47Å; Q196-D200 PolarHBondContact O-N 3.49Å; D200-R203 PolarHBondContact O-N 3.12Å; D200-R203 IonicContact OD1-CZ 3.05Å; D200-R203 IonicContact OD1-NE 2.81Å; D200-R203 PolarHBondContact OD1-NE 3.02Å; D200-R203 IonicContact OD1-NH2 2.78Å; D200-R203 PolarHBondContact OD1-NH2 2.68Å; D200-I204 HydrophobicContact CB-CD1 4.38Å; D200-I204 VanDerWaalsContact O-CB 3.31Å; D200-I204 WeakPolarHBondContact O-CB 3.36Å; D200-I204 WeakPolarHBondContact O-CG1 2.95Å; D200-I204 PolarHBondContact O-N 3.44Å
201	G	97.1	Very high	93.8	Very high	9 Å²	9	64.8 Å²	64.8	9%	0.093	33%	0.325	C	S	.	.	H	α-helix	trans	-62.3	-46.4	176.8	0	0	0	0	0	112.9	P180 Y197 R203 I204 E205	P180-G201 WeakPolarHBondContact O-CA 3.43Å; Y197-G201 VanDerWaalsContact O-CA 3.29Å; Y197-G201 WeakPolarHBondContact O-CA 3.49Å; Y197-G201 PolarHBondContact O-N 3.34Å; G201-R203 VanDerWaalsContact C-N 3.33Å; G201-R203 PolarHBondContact O-N 3.07Å; G201-I204 PolarHBondContact O-N 3.38Å; G201-E205 WeakPolarHBondContact O-CB 3.36Å; G201-E205 PolarHBondContact O-N 2.9Å
202	A	97.9	Very high	94.6	Very high	66 Å²	66	57.5 Å²	57.5	55%	0.545	29%	0.294	S	S	.	.	H	α-helix	trans	-60.7	-43	174.2	0	0	0	0	0	111.7	Y198 A206	Y198-A202 VanDerWaalsContact O-CB 3.29Å; Y198-A202 WeakPolarHBondContact O-CB 3.2Å; Y198-A202 PolarHBondContact O-N 2.95Å; Y198-A202 VanDerWaalsContact O-N 3.16Å; A202-A206 VanDerWaalsContact O-CB 3.29Å; A202-A206 WeakPolarHBondContact O-CB 3.5Å; A202-A206 PolarHBondContact O-N 3.36Å
203	R	98.6	Very high	95.2	Very high	51 Å²	51	57.7 Å²	57.7	19%	0.192	29%	0.293	C	S	.	.	H	α-helix	trans	-65.9	-40.9	178.9	-177.1	176.3	58.9	76.7	-11.6	113.1	L174 R176 E177 E199 D200 G201 A206 A207	L174-R203 HydrophobicContact CD2-CG 4.32Å; L174-R203 PolarHBondContact O-NH1 3.24Å; L174-R203 VanDerWaalsContact O-NH1 3.13Å; R176-R203 PolarHBondContact O-NH1 3.42Å; R176-R203 PolarHBondContact O-NH2 2.85Å; E177-R203 PolarHBondContact O-NH2 3.14Å; E199-R203 WeakPolarHBondContact O-CB 3.46Å; E199-R203 PolarHBondContact O-N 3.09Å; E199-R203 VanDerWaalsContact O-N 3.14Å; D200-R203 PolarHBondContact O-N 3.12Å; D200-R203 IonicContact OD1-CZ 3.05Å; D200-R203 IonicContact OD1-NE 2.81Å; D200-R203 PolarHBondContact OD1-NE 3.02Å; D200-R203 IonicContact OD1-NH2 2.78Å; D200-R203 PolarHBondContact OD1-NH2 2.68Å; G201-R203 VanDerWaalsContact C-N 3.33Å; G201-R203 PolarHBondContact O-N 3.07Å; R203-A206 PolarHBondContact O-N 2.88Å; R203-A207 PolarHBondContact O-N 3.43Å
204	I	98.6	Very high	95.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-77.9	-36	-178.2	-66.2	168.9	0	0	0	111.1	P180 D200 G201 A206 A207 F208 V233 Y236	P180-I204 HydrophobicContact CB-CD1 4.05Å; P180-I204 HydrophobicContact CB-CG2 4.37Å; D200-I204 HydrophobicContact CB-CD1 4.38Å; D200-I204 VanDerWaalsContact O-CB 3.31Å; D200-I204 WeakPolarHBondContact O-CB 3.36Å; D200-I204 WeakPolarHBondContact O-CG1 2.95Å; D200-I204 PolarHBondContact O-N 3.44Å; G201-I204 PolarHBondContact O-N 3.38Å; I204-A206 VanDerWaalsContact C-N 3.34Å; I204-A207 WeakPolarHBondContact O-CB 3.47Å; I204-A207 PolarHBondContact O-N 2.85Å; I204-F208 PolarHBondContact O-N 2.94Å; I204-V233 HydrophobicContact CD1-CG2 4.09Å; I204-V233 HydrophobicContact CG1-CG2 4.23Å; I204-Y236 HydrophobicContact CG2-CD1 3.51Å; I204-Y236 HydrophobicContact CG2-CE1 4.11Å; I204-Y236 HydrophobicContact CG2-CG 4.06Å
205	E	98.6	Very high	96.4	Very high	32 Å²	32	48.6 Å²	48.6	15%	0.15	24%	0.24	C	C	.	.	H	α-helix	trans	-67.3	-33.7	169.6	175	67.3	178.1	0	0	111.7	G201 F208 R209 Y236 R240	G201-E205 WeakPolarHBondContact O-CB 3.36Å; G201-E205 PolarHBondContact O-N 2.9Å; E205-F208 PolarHBondContact O-N 3.37Å; E205-F208 WeakPolarHBondContact OE2-CD1 3.46Å; E205-R209 VanDerWaalsContact O-CG 3.32Å; E205-R209 WeakPolarHBondContact O-CG 3.32Å; E205-R209 PolarHBondContact O-N 3.41Å; E205-R209 IonicContact OE1-CZ 3.89Å; E205-R209 IonicContact OE1-NE 3.81Å; E205-R209 PolarHBondContact OE1-NE 2.96Å; E205-R209 IonicContact OE1-NH2 3.41Å; E205-R209 PolarHBondContact OE1-NH2 3.39Å; E205-Y236 HydrophobicContact CB-CE1 4.26Å; E205-Y236 PolarHBondContact OE2-OH 3.21Å; E205-R240 VanDerWaalsContact CD-NH2 3.33Å; E205-R240 IonicContact OE1-CZ 2.73Å; E205-R240 IonicContact OE1-NE 2.78Å; E205-R240 IonicContact OE1-NH2 3.41Å; E205-R240 PolarHBondContact OE1-NH2 3.27Å; E205-R240 IonicContact OE2-CZ 3.68Å; E205-R240 IonicContact OE2-NE 3.2Å; E205-R240 PolarHBondContact OE2-NE 3.46Å; E205-R240 IonicContact OE2-NH2 3.82Å; E205-R240 PolarHBondContact OE2-NH2 2.87Å
206	A	98.4	Very high	96.8	Very high	33 Å²	33	48.4 Å²	48.4	27%	0.273	24%	0.236	S	C	.	.	H	α-helix	trans	-65.6	-40.3	169.3	0	0	0	0	0	111.9	L174 A202 R203 I204 R209 N210	L174-A206 HydrophobicContact CD2-CB 4.37Å; A202-A206 VanDerWaalsContact O-CB 3.29Å; A202-A206 WeakPolarHBondContact O-CB 3.5Å; A202-A206 PolarHBondContact O-N 3.36Å; R203-A206 PolarHBondContact O-N 2.88Å; I204-A206 VanDerWaalsContact C-N 3.34Å; A206-R209 PolarHBondContact O-N 3Å; A206-N210 VanDerWaalsContact O-CB 3.28Å; A206-N210 WeakPolarHBondContact O-CB 3.47Å; A206-N210 PolarHBondContact O-N 3.14Å
207	A	98.6	Very high	96.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-45.3	172.6	0	0	0	0	0	111.8	L174 L175 R203 I204 N210 Y211	L174-A207 HydrophobicContact CB-CB 3.85Å; L175-A207 HydrophobicContact CD2-CB 3.97Å; R203-A207 PolarHBondContact O-N 3.43Å; I204-A207 WeakPolarHBondContact O-CB 3.47Å; I204-A207 PolarHBondContact O-N 2.85Å; A207-N210 PolarHBondContact O-N 3.39Å; A207-Y211 HydrophobicContact CB-CD2 4.43Å; A207-Y211 WeakPolarHBondContact O-CB 3.21Å; A207-Y211 WeakPolarHBondContact O-CD2 3.34Å; A207-Y211 PolarHBondContact O-N 3.29Å; A207-Y211 VanDerWaalsContact O-N 3.1Å
208	F	98.8	Very high	97	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.009	26%	0.259	C	S	.	.	H	α-helix	trans	-56.6	-53.7	173.8	173.3	-103.8	0	0	0	110.9	W62 I204 E205 N210 Y211 I212 I237 R240 A241	W62-F208 HydrophobicContact CE3-CE1 4.08Å; W62-F208 AromaticContact CE3-CZ 3.65Å; W62-F208 HydrophobicContact CE3-CZ 3.65Å; W62-F208 HydrophobicContact CH2-CZ 4.41Å; W62-F208 AromaticContact CZ3-CE1 3.98Å; W62-F208 HydrophobicContact CZ3-CE1 3.98Å; W62-F208 HydrophobicContact CZ3-CE2 4.04Å; W62-F208 AromaticContact CZ3-CZ 3.36Å; W62-F208 HydrophobicContact CZ3-CZ 3.36Å; I204-F208 PolarHBondContact O-N 2.94Å; E205-F208 PolarHBondContact O-N 3.37Å; E205-F208 WeakPolarHBondContact OE2-CD1 3.46Å; F208-N210 PolarHBondContact O-N 3.08Å; F208-Y211 PolarHBondContact O-N 3.35Å; F208-I212 HydrophobicContact CD2-CB 3.73Å; F208-I212 HydrophobicContact CD2-CG1 4.03Å; F208-I212 HydrophobicContact CD2-CG2 3.94Å; F208-I212 HydrophobicContact CE2-CB 3.92Å; F208-I212 HydrophobicContact CE2-CG2 3.65Å; F208-I212 HydrophobicContact CG-CB 4.47Å; F208-I212 WeakPolarHBondContact O-CA 3.21Å; F208-I212 VanDerWaalsContact O-CB 3.24Å; F208-I212 WeakPolarHBondContact O-CB 3.28Å; F208-I212 PolarHBondContact O-N 3.04Å; F208-I237 HydrophobicContact CB-CG1 4.41Å; F208-I237 HydrophobicContact CD2-CG1 4.34Å; F208-I237 HydrophobicContact CD2-CG2 4.38Å; F208-R240 HydrophobicContact CD1-CB 4.3Å; F208-R240 HydrophobicContact CD2-CB 3.8Å; F208-R240 HydrophobicContact CE1-CB 4.07Å; F208-R240 HydrophobicContact CE2-CB 3.52Å; F208-R240 HydrophobicContact CG-CB 4.19Å; F208-R240 HydrophobicContact CZ-CB 3.67Å; F208-A241 HydrophobicContact CE2-CB 4.02Å
209	R	98.3	Very high	97.3	Very high	102 Å²	102	47.5 Å²	47.5	39%	0.385	24%	0.235	S	C	.	.	H	α-helix	trans	-63.4	-35.7	-178.5	-71.1	176.4	-179.4	-71.5	-10.5	114.1	E205 A206	E205-R209 VanDerWaalsContact O-CG 3.32Å; E205-R209 WeakPolarHBondContact O-CG 3.32Å; E205-R209 PolarHBondContact O-N 3.41Å; E205-R209 IonicContact OE1-CZ 3.89Å; E205-R209 IonicContact OE1-NE 3.81Å; E205-R209 PolarHBondContact OE1-NE 2.96Å; E205-R209 IonicContact OE1-NH2 3.41Å; E205-R209 PolarHBondContact OE1-NH2 3.39Å; A206-R209 PolarHBondContact O-N 3Å
210	N	98.1	Very high	97.4	Very high	96 Å²	96	48.4 Å²	48.4	51%	0.513	24%	0.239	S	C	.	.	H	α-helix	trans	-79	-26.2	-177.8	-72	-7.3	0	0	0	113.5	L174 A206 A207 F208	L174-N210 HydrophobicContact CD1-CB 4.45Å; L174-N210 WeakPolarHBondContact CD1-ND2 3.34Å; A206-N210 VanDerWaalsContact O-CB 3.28Å; A206-N210 WeakPolarHBondContact O-CB 3.47Å; A206-N210 PolarHBondContact O-N 3.14Å; A207-N210 PolarHBondContact O-N 3.39Å; F208-N210 PolarHBondContact O-N 3.08Å
211	Y	98.7	Very high	97.4	Very high	42 Å²	42	53.8 Å²	53.8	17%	0.165	26%	0.263	C	S	.	.	H	α-helix	trans	-116.5	-25.3	-173.8	-60	-52	0	0	0	114.4	R98 V146 T172 L174 L175 A207 F208 F227	R98-Y211 VanDerWaalsContact CZ-O 3.3Å; R98-Y211 PolarHBondContact NH1-O 2.84Å; R98-Y211 PolarHBondContact NH2-O 3.37Å; V146-Y211 HydrophobicContact CG1-CE1 4.25Å; T172-Y211 WeakPolarHBondContact CB-OH 3.25Å; T172-Y211 HydrophobicContact CG2-CE2 4.17Å; T172-Y211 WeakPolarHBondContact CG2-OH 3.28Å; T172-Y211 PolarHBondContact OG1-OH 2.69Å; L174-Y211 HydrophobicContact CB-CE2 4.28Å; L174-Y211 HydrophobicContact CD1-CE2 4.14Å; L175-Y211 HydrophobicContact CD1-CD2 4.5Å; L175-Y211 HydrophobicContact CD1-CE2 4.28Å; L175-Y211 HydrophobicContact CD2-CD2 4.24Å; L175-Y211 HydrophobicContact CD2-CE2 4.39Å; L175-Y211 HydrophobicContact CG-CD2 4.4Å; L175-Y211 HydrophobicContact CG-CE2 4.1Å; A207-Y211 HydrophobicContact CB-CD2 4.43Å; A207-Y211 WeakPolarHBondContact O-CB 3.21Å; A207-Y211 WeakPolarHBondContact O-CD2 3.34Å; A207-Y211 PolarHBondContact O-N 3.29Å; A207-Y211 VanDerWaalsContact O-N 3.1Å; F208-Y211 PolarHBondContact O-N 3.35Å; Y211-F227 AromaticContact CD1-CE1 3.94Å; Y211-F227 HydrophobicContact CD1-CE1 3.94Å; Y211-F227 HydrophobicContact CD2-CE1 4.33Å; Y211-F227 HydrophobicContact CG-CD1 4.48Å; Y211-F227 AromaticContact CG-CE1 3.71Å; Y211-F227 HydrophobicContact CG-CE1 3.71Å; Y211-F227 HydrophobicContact CG-CZ 4.48Å
212	I	98.7	Very high	97.5	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	27%	0.274	C	S	.	.	S	Bend	trans	-117.4	100.1	-169.4	-46.2	-64.2	0	0	0	109	W62 I100 L102 F208 I237 A241 I264	W62-I212 HydrophobicContact CH2-CG2 4.11Å; W62-I212 WeakPolarHBondContact CH2-O 3.3Å; W62-I212 HydrophobicContact CZ3-CG2 4.42Å; W62-I212 VanDerWaalsContact CZ3-O 3.23Å; W62-I212 WeakPolarHBondContact CZ3-O 3.48Å; I100-I212 HydrophobicContact CG2-CD1 3.93Å; L102-I212 HydrophobicContact CD2-CD1 4.48Å; F208-I212 HydrophobicContact CD2-CB 3.73Å; F208-I212 HydrophobicContact CD2-CG1 4.03Å; F208-I212 HydrophobicContact CD2-CG2 3.94Å; F208-I212 HydrophobicContact CE2-CB 3.92Å; F208-I212 HydrophobicContact CE2-CG2 3.65Å; F208-I212 HydrophobicContact CG-CB 4.47Å; F208-I212 WeakPolarHBondContact O-CA 3.21Å; F208-I212 VanDerWaalsContact O-CB 3.24Å; F208-I212 WeakPolarHBondContact O-CB 3.28Å; F208-I212 PolarHBondContact O-N 3.04Å; I212-I237 HydrophobicContact CD1-CG2 3.99Å; I212-I237 HydrophobicContact CG1-CD1 4.43Å; I212-I237 HydrophobicContact CG1-CG2 3.82Å; I212-I237 HydrophobicContact CG2-CG2 4.46Å; I212-A241 HydrophobicContact CG2-CB 4.17Å; I212-I264 HydrophobicContact CG2-CD1 3.99Å
213	H	98.4	Very high	97.5	Very high	25 Å²	25	53.5 Å²	53.5	12%	0.116	25%	0.25	C	S	.	.	S	Bend	trans	-166.2	170.1	-177.2	54.6	77.6	0	0	0	109.1	D63 R65 R98 I264	D63-H213 HydrophobicContact CB-CB 3.74Å; R65-H213 PolarHBondContact NE-ND1 3.03Å; R65-H213 PolarHBondContact NH2-CE1 2.92Å; R65-H213 PolarHBondContact NH2-NE2 2.85Å; R98-H213 WeakPolarHBondContact CD-O 3.34Å; R98-H213 PolarHBondContact NH1-ND1 2.96Å; R98-H213 PolarHBondContact NH1-O 2.9Å; H213-I264 WeakPolarHBondContact O-CD1 3.44Å
214	R	98	Very high	97.5	Very high	8 Å²	8	53.8 Å²	53.8	3%	0.03	25%	0.252	C	S	.	.	S	Bend	trans	-62.4	163.6	173	75.9	-166.7	71.1	-158.5	0.5	112.3	P60 D63 R65 A94 I264	P60-R214 PolarHBondContact O-NH2 3.44Å; D63-R214 IonicContact OD1-CZ 3.33Å; D63-R214 IonicContact OD1-NE 3.15Å; D63-R214 PolarHBondContact OD1-NE 3.47Å; D63-R214 VanDerWaalsContact OD1-NE 3.15Å; D63-R214 IonicContact OD1-NH2 2.7Å; D63-R214 PolarHBondContact OD1-NH2 2.87Å; D63-R214 WeakPolarHBondContact OD2-CB 3.4Å; D63-R214 VanDerWaalsContact OD2-CG 3.29Å; D63-R214 WeakPolarHBondContact OD2-CG 3.48Å; D63-R214 IonicContact OD2-CZ 3.76Å; D63-R214 PolarHBondContact OD2-N 3.1Å; D63-R214 IonicContact OD2-NE 2.89Å; D63-R214 PolarHBondContact OD2-NE 2.93Å; D63-R214 IonicContact OD2-NH2 3.75Å; R65-R214 HydrophobicContact CB-CG 3.84Å; R65-R214 WeakPolarHBondContact O-CD 3.39Å; A94-R214 HydrophobicContact CB-CB 4.44Å; A94-R214 HydrophobicContact CB-CG 4.02Å; R214-I264 HydrophobicContact CB-CG2 4.36Å
215	A	97.4	Very high	97.6	Very high	3 Å²	3	54.1 Å²	54.1	3%	0.025	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-53.2	151.8	177	0	0	0	0	0	112.4	A94 A96 R98 Q219	A94-A215 HydrophobicContact CB-CB 4.22Å; A94-A215 VanDerWaalsContact CB-O 3.3Å; A94-A215 WeakPolarHBondContact CB-O 3.33Å; A96-A215 HydrophobicContact CB-CB 3.95Å; A96-A215 VanDerWaalsContact O-CB 3.27Å; A96-A215 WeakPolarHBondContact O-CB 3.29Å; R98-A215 HydrophobicContact CG-CB 4.1Å; A215-Q219 HydrophobicContact CB-CB 4.25Å; A215-Q219 HydrophobicContact CB-CG 4.44Å
216	D	94.9	Very high	97.6	Very high	70 Å²	70	52.6 Å²	52.6	37%	0.374	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-66.4	149.4	169.1	-162.5	-83.8	0	0	0	109.5	R65 R218 Q219	R65-D216 IonicContact NH1-OD2 3.71Å; D216-R218 PolarHBondContact O-N 2.99Å; D216-R218 VanDerWaalsContact O-N 3.16Å; D216-R218 WeakPolarHBondContact OD1-CB 3.36Å; D216-R218 WeakPolarHBondContact OD1-CG 3.39Å; D216-R218 PolarHBondContact OD1-N 3.36Å; D216-Q219 HydrophobicContact CB-CB 4.45Å; D216-Q219 WeakPolarHBondContact O-CB 3.19Å; D216-Q219 PolarHBondContact O-N 3.3Å
217	A	92.3	Very high	97.6	Very high	24 Å²	24	51.1 Å²	51.1	20%	0.198	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.5	178.9	0	0	0	0	0	112.6	H91	H91-A217 VanDerWaalsContact O-CB 3.25Å; H91-A217 WeakPolarHBondContact O-CB 3.23Å
218	R	94.1	Very high	97.6	Very high	222 Å²	222	51.1 Å²	51.1	84%	0.838	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-5.7	172.6	-56.1	173.8	-173.7	171.1	3.1	114	D216	D216-R218 PolarHBondContact O-N 2.99Å; D216-R218 VanDerWaalsContact O-N 3.16Å; D216-R218 WeakPolarHBondContact OD1-CB 3.36Å; D216-R218 WeakPolarHBondContact OD1-CG 3.39Å; D216-R218 PolarHBondContact OD1-N 3.36Å
219	Q	96.5	Very high	97.6	Very high	42 Å²	42	51 Å²	51	20%	0.196	23%	0.233	C	C	.	.			trans	-87.8	112.2	178.8	-177.4	-174.6	-23.5	0	0	109.9	A96 A215 D216 E221 S223	A96-Q219 HydrophobicContact CB-CB 4.49Å; A96-Q219 HydrophobicContact CB-CG 3.84Å; A215-Q219 HydrophobicContact CB-CB 4.25Å; A215-Q219 HydrophobicContact CB-CG 4.44Å; D216-Q219 HydrophobicContact CB-CB 4.45Å; D216-Q219 WeakPolarHBondContact O-CB 3.19Å; D216-Q219 PolarHBondContact O-N 3.3Å; Q219-E221 WeakPolarHBondContact CG-O 3.38Å; Q219-E221 PolarHBondContact NE2-O 3.4Å; Q219-S223 VanDerWaalsContact NE2-CB 3.25Å; Q219-S223 PolarHBondContact NE2-OG 3.12Å; Q219-S223 VanDerWaalsContact NE2-OG 3.12Å
220	E	95.6	Very high	97.6	Very high	153 Å²	153	46.1 Å²	46.1	72%	0.715	22%	0.215	S	C	*	.			trans	-93.8	-28.4	-174.6	-53	-166	135.6	0	0	113.5
221	E	98	Very high	97.7	Very high	147 Å²	147	42 Å²	42	69%	0.687	19%	0.193	S	C	*	.	S	Bend	trans	-107	149	178.8	-62.6	-174.3	157.1	0	0	112.7	A96 Q219 S223	A96-E221 WeakPolarHBondContact CB-O 3.36Å; Q219-E221 WeakPolarHBondContact CG-O 3.38Å; Q219-E221 PolarHBondContact NE2-O 3.4Å; E221-S223 PolarHBondContact O-N 2.91Å
222	D	98.6	Very high	97.7	Very high	64 Å²	64	40.8 Å²	40.8	34%	0.342	19%	0.19	S	C	.	.			trans	-58.4	130.9	171.2	-83.6	11.6	0	0	0	111.1	T97	T97-D222 VanDerWaalsContact CB-CG 3.47Å; T97-D222 WeakPolarHBondContact CB-OD1 3.3Å; T97-D222 VanDerWaalsContact CB-OD2 3.32Å; T97-D222 WeakPolarHBondContact CB-OD2 3.28Å; T97-D222 PolarHBondContact N-OD1 2.93Å; T97-D222 CarbonylContact O-C 3.57Å; T97-D222 VanDerWaalsContact O-CA 3.29Å; T97-D222 WeakPolarHBondContact O-CA 3.23Å; T97-D222 PolarHBondContact OG1-OD1 2.84Å; T97-D222 PolarHBondContact OG1-OD2 2.82Å
223	S	98.8	Very high	97.7	Very high	5 Å²	5	40.7 Å²	40.7	4%	0.035	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	148.3	-178.9	60.1	0	0	0	0	113.3	T97 R98 H99 N143 Q219 E221 E225	T97-S223 PolarHBondContact O-N 3.22Å; R98-S223 WeakPolarHBondContact CG-OG 3.24Å; H99-S223 WeakPolarHBondContact CB-O 3.36Å; H99-S223 PolarHBondContact N-O 2.75Å; N143-S223 VanDerWaalsContact OD1-CA 3.24Å; N143-S223 WeakPolarHBondContact OD1-CA 2.98Å; N143-S223 VanDerWaalsContact OD1-CB 3.28Å; N143-S223 WeakPolarHBondContact OD1-CB 3.47Å; Q219-S223 VanDerWaalsContact NE2-CB 3.25Å; Q219-S223 PolarHBondContact NE2-OG 3.12Å; Q219-S223 VanDerWaalsContact NE2-OG 3.12Å; E221-S223 PolarHBondContact O-N 2.91Å; S223-E225 PolarHBondContact OG-OE1 3.12Å
224	Y	98.9	Very high	97.7	Very high	58 Å²	58	39.5 Å²	39.5	23%	0.227	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	107.6	172.8	-53.4	-84.3	0	0	0	108.2	H99 F101 L140 F142 N143	H99-Y224 HydrophobicContact CB-CD1 3.56Å; H99-Y224 HydrophobicContact CB-CE1 4.01Å; H99-Y224 HydrophobicContact CB-CG 4.42Å; H99-Y224 AromaticContact CD2-CE1 3.9Å; H99-Y224 AromaticContact CG-CD1 3.8Å; H99-Y224 AromaticContact CG-CE1 3.69Å; H99-Y224 AromaticContact ND1-CE1 3.96Å; F101-Y224 HydrophobicContact CE2-CD1 4.13Å; L140-Y224 HydrophobicContact CB-CD1 4.39Å; L140-Y224 HydrophobicContact CB-CG 4.25Å; L140-Y224 HydrophobicContact CD1-CD1 3.74Å; L140-Y224 HydrophobicContact CD1-CE1 4.13Å; L140-Y224 HydrophobicContact CD1-CG 4.36Å; L140-Y224 HydrophobicContact CD2-CD1 4.03Å; L140-Y224 HydrophobicContact CD2-CE1 3.72Å; L140-Y224 HydrophobicContact CD2-CE2 4.44Å; L140-Y224 HydrophobicContact CG-CD1 4.26Å; L140-Y224 HydrophobicContact CG-CE1 4.44Å; F142-Y224 CarbonylContact C-O 3.6Å; F142-Y224 VanDerWaalsContact CA-O 3.3Å; F142-Y224 WeakPolarHBondContact CA-O 3.1Å; N143-Y224 PolarHBondContact N-O 2.76Å; N143-Y224 PolarHBondContact OD1-N 2.87Å; N143-Y224 PolarHBondContact OD1-O 2.84Å
225	E	98.9	Very high	97.7	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.028	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.9	-167.1	-62.5	172.8	-118.3	0	0	110.6	R98 H99 I100 F101 K144 S223 F227	R98-E225 IonicContact CZ-OE1 3.87Å; R98-E225 IonicContact CZ-OE2 2.67Å; R98-E225 IonicContact NE-OE1 3.89Å; R98-E225 PolarHBondContact NE-OE1 3.19Å; R98-E225 IonicContact NE-OE2 2.65Å; R98-E225 VanDerWaalsContact NH2-CD 3.3Å; R98-E225 IonicContact NH2-OE1 3.94Å; R98-E225 PolarHBondContact NH2-OE1 2.73Å; R98-E225 IonicContact NH2-OE2 3.92Å; R98-E225 PolarHBondContact NH2-OE2 2.81Å; H99-E225 PolarHBondContact O-N 2.87Å; I100-E225 HydrophobicContact CD1-CB 4.19Å; F101-E225 PolarHBondContact N-O 3.41Å; K144-E225 WeakPolarHBondContact CE-OE2 3.47Å; K144-E225 HydrophobicContact CG-CG 4.5Å; K144-E225 IonicContact NZ-OE2 3.09Å; K144-E225 PolarHBondContact NZ-OE2 2.83Å; S223-E225 PolarHBondContact OG-OE1 3.12Å; E225-F227 HydrophobicContact CB-CE2 3.67Å; E225-F227 HydrophobicContact CB-CZ 4.32Å
226	I	98.9	Very high	97.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	138.6	180	-68.1	162.7	0	0	0	110.1	F101 I103 L135 F142 K144 I145 V146 L164 I228	F101-I226 HydrophobicContact CB-CG1 4.15Å; F101-I226 WeakPolarHBondContact O-CA 3.25Å; I103-I226 HydrophobicContact CD1-CG2 3.75Å; I103-I226 HydrophobicContact CG1-CG2 4.44Å; L135-I226 HydrophobicContact CD1-CD1 4.17Å; L135-I226 HydrophobicContact CD2-CD1 4.31Å; F142-I226 HydrophobicContact CB-CD1 4.21Å; F142-I226 HydrophobicContact CD1-CD1 3.47Å; F142-I226 VanDerWaalsContact CD1-CD1 3.47Å; F142-I226 HydrophobicContact CD1-CG1 3.58Å; F142-I226 HydrophobicContact CD2-CD1 4.05Å; F142-I226 HydrophobicContact CE1-CD1 3.71Å; F142-I226 HydrophobicContact CE1-CG1 3.75Å; F142-I226 HydrophobicContact CE2-CD1 4.26Å; F142-I226 HydrophobicContact CG-CD1 3.64Å; F142-I226 HydrophobicContact CG-CG1 4.24Å; F142-I226 HydrophobicContact CZ-CD1 4.1Å; K144-I226 PolarHBondContact O-N 3.34Å; K144-I226 VanDerWaalsContact O-N 3.08Å; I145-I226 HydrophobicContact CB-CB 4.46Å; I145-I226 HydrophobicContact CB-CG2 4.48Å; I145-I226 HydrophobicContact CG1-CB 4.02Å; I145-I226 HydrophobicContact CG1-CD1 4.02Å; I145-I226 HydrophobicContact CG1-CG2 4.19Å; I145-I226 HydrophobicContact CG2-CG2 4.02Å; V146-I226 PolarHBondContact N-O 2.8Å; L164-I226 HydrophobicContact CD1-CD1 3.44Å; L164-I226 VanDerWaalsContact CD1-CD1 3.44Å; I226-I228 HydrophobicContact CG2-CD1 4.16Å; I226-I228 HydrophobicContact CG2-CG1 3.8Å
227	F	98.9	Very high	98	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.009	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	105.8	175.9	-65.1	-92.9	0	0	0	110.2	I100 F101 L102 I103 V146 L175 Y211 E225	I100-F227 HydrophobicContact CD1-CE2 4.11Å; I100-F227 HydrophobicContact CG2-CD2 3.73Å; I100-F227 HydrophobicContact CG2-CE2 3.81Å; F101-F227 PolarHBondContact O-N 2.94Å; L102-F227 HydrophobicContact CD2-CB 3.84Å; L102-F227 HydrophobicContact CD2-CD2 4.2Å; L102-F227 HydrophobicContact CD2-CG 4.18Å; I103-F227 PolarHBondContact N-O 3.46Å; V146-F227 HydrophobicContact CB-CD1 3.67Å; V146-F227 HydrophobicContact CB-CE1 3.76Å; V146-F227 HydrophobicContact CG1-CD1 4.15Å; V146-F227 HydrophobicContact CG1-CE1 4.21Å; V146-F227 HydrophobicContact CG2-CD1 4.18Å; V146-F227 HydrophobicContact CG2-CE1 3.75Å; V146-F227 HydrophobicContact CG2-CZ 4.34Å; V146-F227 CarbonylContact O-C 3.52Å; V146-F227 VanDerWaalsContact O-CA 3.23Å; V146-F227 WeakPolarHBondContact O-CA 3.34Å; L175-F227 HydrophobicContact CD1-CD1 4.09Å; Y211-F227 AromaticContact CD1-CE1 3.94Å; Y211-F227 HydrophobicContact CD1-CE1 3.94Å; Y211-F227 HydrophobicContact CD2-CE1 4.33Å; Y211-F227 HydrophobicContact CG-CD1 4.48Å; Y211-F227 AromaticContact CG-CE1 3.71Å; Y211-F227 HydrophobicContact CG-CE1 3.71Å; Y211-F227 HydrophobicContact CG-CZ 4.48Å; E225-F227 HydrophobicContact CB-CE2 3.67Å; E225-F227 HydrophobicContact CB-CZ 4.32Å
228	I	98.9	Very high	98.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	106.9	-178.8	-59.9	171.1	0	0	0	109.6	I103 I145 V146 H147 S148 A153 T156 T157 I160 I226	I103-I228 HydrophobicContact CB-CG1 4.16Å; I103-I228 HydrophobicContact CD1-CG1 4.42Å; I103-I228 WeakPolarHBondContact O-CA 3.28Å; I145-I228 HydrophobicContact CG2-CD1 3.73Å; I145-I228 HydrophobicContact CG2-CG1 4.26Å; V146-I228 PolarHBondContact O-N 3.2Å; H147-I228 CarbonylContact C-O 3.59Å; H147-I228 VanDerWaalsContact CA-O 3.28Å; H147-I228 WeakPolarHBondContact CA-O 3.41Å; H147-I228 HydrophobicContact CB-CB 4.04Å; S148-I228 PolarHBondContact N-O 3.42Å; A153-I228 HydrophobicContact CB-CG2 4.41Å; T156-I228 HydrophobicContact CG2-CG2 3.9Å; T157-I228 HydrophobicContact CG2-CD1 4.16Å; T157-I228 WeakPolarHBondContact OG1-CD1 3.48Å; I160-I228 HydrophobicContact CB-CD1 4.3Å; I160-I228 HydrophobicContact CD1-CD1 3.95Å; I160-I228 HydrophobicContact CG2-CD1 4.28Å; I226-I228 HydrophobicContact CG2-CD1 4.16Å; I226-I228 HydrophobicContact CG2-CG1 3.8Å
229	C	98.9	Very high	98.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	-136.2	-176.9	61.6	0	0	0	0	112.2	I103 H105 L175 I234	I103-C229 PolarHBondContact O-N 2.83Å; H105-C229 PolarHBondContact CD2-O 3.07Å; H105-C229 PolarHBondContact N-O 2.93Å; L175-C229 HydrophobicContact CB-CB 3.94Å; C229-I234 VanDerWaalsContact SG-CG1 3.52Å
230	H	98.9	Very high	98.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.125	C	C	.	.			trans	-135.1	169.5	-160.8	-46.2	-90.6	0	0	0	112.9	H105 S148 R152 L175 E177 N232 I234	H105-H230 AromaticContact CD2-CG 3.94Å; H105-H230 AromaticContact CD2-ND1 3.17Å; H105-H230 PolarHBondContact CD2-ND1 2.99Å; H105-H230 AromaticContact NE2-ND1 3.84Å; S148-H230 VanDerWaalsContact CB-NE2 3.25Å; S148-H230 WeakPolarHBondContact CB-NE2 3.46Å; S148-H230 PolarHBondContact OG-NE2 3.14Å; R152-H230 VanDerWaalsContact CZ-CE1 3.49Å; R152-H230 PolarHBondContact NE-ND1 3.05Å; R152-H230 PolarHBondContact NH2-CE1 3.35Å; R152-H230 PolarHBondContact NH2-ND1 3.47Å; R152-H230 VanDerWaalsContact NH2-ND1 3.11Å; L175-H230 PolarHBondContact O-CD2 3.46Å; E177-H230 HydrophobicContact CB-CB 3.63Å; E177-H230 HydrophobicContact CG-CB 3.86Å; E177-H230 PolarHBondContact N-CD2 3.29Å; E177-H230 WeakPolarHBondContact OE1-CB 3.3Å; E177-H230 WeakPolarHBondContact OE2-CB 3.35Å; H230-N232 PolarHBondContact O-N 3.46Å; H230-I234 WeakPolarHBondContact O-CD1 3.3Å; H230-I234 WeakPolarHBondContact O-CG1 3.21Å; H230-I234 PolarHBondContact O-N 2.81Å
231	A	98.6	Very high	98.8	Very high	8 Å²	8	19.5 Å²	19.5	7%	0.066	9%	0.091	C	C	.	.	H	α-helix	trans	-65.9	-42.8	-166	0	0	0	0	0	112.7	E177 R235	E177-A231 PolarHBondContact OE2-N 2.86Å; A231-R235 WeakPolarHBondContact O-CB 3.48Å; A231-R235 WeakPolarHBondContact O-CD 3.18Å; A231-R235 WeakPolarHBondContact O-CG 3.26Å; A231-R235 PolarHBondContact O-N 3Å; A231-R235 VanDerWaalsContact O-N 3.14Å; A231-R235 PolarHBondContact O-NE 3.11Å
232	N	98.6	Very high	98.8	Very high	17 Å²	17	13.6 Å²	13.6	9%	0.091	6%	0.063	C	C	.	.	H	α-helix	trans	-74.3	-42.5	-175.1	-47.9	-11.6	0	0	0	110.1	E177 G178 P180 H230 I234 R235 Y236 W249	E177-N232 WeakPolarHBondContact OE1-CA 3.4Å; E177-N232 WeakPolarHBondContact OE1-CB 3.29Å; E177-N232 PolarHBondContact OE1-N 2.94Å; E177-N232 PolarHBondContact OE2-N 3.35Å; G178-N232 VanDerWaalsContact O-CB 3.23Å; G178-N232 WeakPolarHBondContact O-CB 3.19Å; G178-N232 PolarHBondContact O-ND2 3.05Å; P180-N232 HydrophobicContact CG-CB 4.34Å; H230-N232 PolarHBondContact O-N 3.46Å; N232-I234 PolarHBondContact O-N 3.27Å; N232-R235 PolarHBondContact O-N 3.02Å; N232-R235 PolarHBondContact OD1-NH2 3.28Å; N232-Y236 WeakPolarHBondContact O-CB 3.31Å; N232-Y236 PolarHBondContact O-N 3.5Å; N232-W249 HydrophobicContact CB-CE3 4.13Å; N232-W249 HydrophobicContact CB-CH2 4.11Å; N232-W249 HydrophobicContact CB-CZ3 3.58Å; N232-W249 VanDerWaalsContact OD1-CZ3 3.32Å; N232-W249 WeakPolarHBondContact OD1-CZ3 3.3Å
233	V	98.8	Very high	98.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-53.7	-51.7	173.8	-176.4	0	0	0	0	111.7	L175 R176 E177 I204 I237	L175-V233 HydrophobicContact CD2-CG1 3.86Å; R176-V233 VanDerWaalsContact O-CG2 3.26Å; R176-V233 WeakPolarHBondContact O-CG2 3.29Å; E177-V233 PolarHBondContact OE1-N 2.78Å; I204-V233 HydrophobicContact CD1-CG2 4.09Å; I204-V233 HydrophobicContact CG1-CG2 4.23Å; V233-I237 HydrophobicContact CG1-CD1 3.89Å; V233-I237 WeakPolarHBondContact O-CB 3.37Å; V233-I237 VanDerWaalsContact O-CG1 3.29Å; V233-I237 WeakPolarHBondContact O-CG1 3.24Å; V233-I237 PolarHBondContact O-N 3.17Å
234	I	98.9	Very high	98.7	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-65.2	-44	-178.1	-64.5	169.6	0	0	0	110.9	L102 I103 R104 C229 H230 N232 I237 V238 L254 T260	L102-I234 HydrophobicContact CB-CD1 4.39Å; L102-I234 HydrophobicContact CB-CG1 4.13Å; L102-I234 HydrophobicContact CB-CG2 3.85Å; L102-I234 HydrophobicContact CD1-CG2 3.94Å; I103-I234 VanDerWaalsContact C-CD1 3.46Å; R104-I234 HydrophobicContact CB-CD1 4.04Å; C229-I234 VanDerWaalsContact SG-CG1 3.52Å; H230-I234 WeakPolarHBondContact O-CD1 3.3Å; H230-I234 WeakPolarHBondContact O-CG1 3.21Å; H230-I234 PolarHBondContact O-N 2.81Å; N232-I234 PolarHBondContact O-N 3.27Å; I234-I237 PolarHBondContact O-N 3.25Å; I234-V238 HydrophobicContact CG2-CG2 4.47Å; I234-V238 WeakPolarHBondContact O-CG2 3.34Å; I234-V238 PolarHBondContact O-N 2.94Å; I234-L254 HydrophobicContact CB-CD1 3.74Å; I234-L254 HydrophobicContact CD1-CD1 4.4Å; I234-L254 HydrophobicContact CG2-CD1 3.51Å; I234-T260 HydrophobicContact CG2-CG2 4.42Å
235	R	98.9	Very high	98.7	Very high	28 Å²	28	20.1 Å²	20.1	11%	0.106	10%	0.1	C	C	.	.	H	α-helix	trans	-66.1	-41	-177.7	-69	178.6	-67	170.7	-2	112	A231 N232 V238 C239 W249 L252 L254	A231-R235 WeakPolarHBondContact O-CB 3.48Å; A231-R235 WeakPolarHBondContact O-CD 3.18Å; A231-R235 WeakPolarHBondContact O-CG 3.26Å; A231-R235 PolarHBondContact O-N 3Å; A231-R235 VanDerWaalsContact O-N 3.14Å; A231-R235 PolarHBondContact O-NE 3.11Å; N232-R235 PolarHBondContact O-N 3.02Å; N232-R235 PolarHBondContact OD1-NH2 3.28Å; R235-V238 PolarHBondContact O-N 3.17Å; R235-C239 PolarHBondContact O-N 2.81Å; R235-C239 VanDerWaalsContact O-N 3.11Å; R235-W249 HydrophobicContact CB-CB 4.21Å; R235-W249 WeakPolarHBondContact CB-O 3.28Å; R235-W249 WeakPolarHBondContact CD-O 3.41Å; R235-L252 HydrophobicContact CB-CB 4.29Å; R235-L252 HydrophobicContact CB-CD1 4.18Å; R235-L252 WeakPolarHBondContact CD-O 3.32Å; R235-L252 HydrophobicContact CG-CB 3.71Å; R235-L252 HydrophobicContact CG-CD1 4.29Å; R235-L252 PolarHBondContact NH1-O 3.24Å; R235-L254 HydrophobicContact CG-CD1 3.71Å; R235-L254 HydrophobicContact CG-CG 4.16Å
236	Y	98.8	Very high	98.6	Very high	16 Å²	16	21.3 Å²	21.3	6%	0.063	11%	0.108	C	C	.	.	H	α-helix	trans	-62.7	-47.9	172.1	-174.6	-98	0	0	0	111.8	P180 I181 I204 E205 N232 V238 C239 R240 P246	P180-Y236 HydrophobicContact CB-CD2 3.55Å; P180-Y236 HydrophobicContact CB-CE2 4.1Å; P180-Y236 HydrophobicContact CB-CG 3.77Å; P180-Y236 HydrophobicContact CG-CD2 4.17Å; P180-Y236 HydrophobicContact CG-CG 4.43Å; I181-Y236 HydrophobicContact CD1-CE2 4.37Å; I181-Y236 HydrophobicContact CG1-CE2 4.24Å; I181-Y236 HydrophobicContact CG2-CE2 4.43Å; I204-Y236 HydrophobicContact CG2-CD1 3.51Å; I204-Y236 HydrophobicContact CG2-CE1 4.11Å; I204-Y236 HydrophobicContact CG2-CG 4.06Å; E205-Y236 HydrophobicContact CB-CE1 4.26Å; E205-Y236 PolarHBondContact OE2-OH 3.21Å; N232-Y236 WeakPolarHBondContact O-CB 3.31Å; N232-Y236 PolarHBondContact O-N 3.5Å; Y236-V238 VanDerWaalsContact C-N 3.29Å; Y236-V238 PolarHBondContact O-N 3.24Å; Y236-C239 PolarHBondContact O-N 2.78Å; Y236-R240 HydrophobicContact CD1-CG 3.66Å; Y236-R240 HydrophobicContact CD2-CG 4.28Å; Y236-R240 HydrophobicContact CE1-CG 3.43Å; Y236-R240 VanDerWaalsContact CE1-CG 3.43Å; Y236-R240 HydrophobicContact CE2-CG 4.09Å; Y236-R240 HydrophobicContact CG-CG 4.12Å; Y236-R240 WeakPolarHBondContact O-CB 3.42Å; Y236-R240 WeakPolarHBondContact O-CG 3.41Å; Y236-R240 PolarHBondContact O-N 3.12Å; Y236-P246 HydrophobicContact CD2-CB 4.2Å; Y236-P246 HydrophobicContact CE2-CB 3.89Å
237	I	98.9	Very high	98.5	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.015	13%	0.125	C	C	.	.	H	α-helix	trans	-56.7	-42.5	176.8	-73.9	170.9	0	0	0	111.4	L102 F208 I212 V233 I234 R240 A241 L262	L102-I237 HydrophobicContact CD1-CB 4.25Å; L102-I237 HydrophobicContact CD1-CG2 3.62Å; L102-I237 HydrophobicContact CD2-CG2 4.48Å; F208-I237 HydrophobicContact CB-CG1 4.41Å; F208-I237 HydrophobicContact CD2-CG1 4.34Å; F208-I237 HydrophobicContact CD2-CG2 4.38Å; I212-I237 HydrophobicContact CD1-CG2 3.99Å; I212-I237 HydrophobicContact CG1-CD1 4.43Å; I212-I237 HydrophobicContact CG1-CG2 3.82Å; I212-I237 HydrophobicContact CG2-CG2 4.46Å; V233-I237 HydrophobicContact CG1-CD1 3.89Å; V233-I237 WeakPolarHBondContact O-CB 3.37Å; V233-I237 VanDerWaalsContact O-CG1 3.29Å; V233-I237 WeakPolarHBondContact O-CG1 3.24Å; V233-I237 PolarHBondContact O-N 3.17Å; I234-I237 PolarHBondContact O-N 3.25Å; I237-R240 PolarHBondContact O-N 2.84Å; I237-A241 WeakPolarHBondContact O-CB 3.31Å; I237-A241 PolarHBondContact O-N 2.88Å; I237-L262 HydrophobicContact CG2-CD1 4.27Å
238	V	98.9	Very high	98.5	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.018	13%	0.129	C	C	.	.	H	α-helix	trans	-61.4	-51.7	176.9	168.2	0	0	0	0	111.3	L102 I234 R235 Y236 R240 A241 L242 L252 T260 L275	L102-V238 HydrophobicContact CD1-CG2 4.28Å; I234-V238 HydrophobicContact CG2-CG2 4.47Å; I234-V238 WeakPolarHBondContact O-CG2 3.34Å; I234-V238 PolarHBondContact O-N 2.94Å; R235-V238 PolarHBondContact O-N 3.17Å; Y236-V238 VanDerWaalsContact C-N 3.29Å; Y236-V238 PolarHBondContact O-N 3.24Å; V238-R240 VanDerWaalsContact C-N 3.35Å; V238-R240 PolarHBondContact O-N 2.83Å; V238-A241 PolarHBondContact O-N 2.67Å; V238-L242 HydrophobicContact CG1-CD1 3.77Å; V238-L242 WeakPolarHBondContact O-CB 3.36Å; V238-L242 WeakPolarHBondContact O-CG 3.41Å; V238-L242 PolarHBondContact O-N 3.44Å; V238-L252 HydrophobicContact CB-CD1 4.28Å; V238-L252 HydrophobicContact CG1-CD1 4.01Å; V238-T260 HydrophobicContact CG2-CG2 3.81Å; V238-L275 HydrophobicContact CG1-CD1 3.86Å; V238-L275 HydrophobicContact CG2-CD1 4.26Å
239	C	98.8	Very high	98.4	Very high	5 Å²	5	25.2 Å²	25.2	3%	0.034	13%	0.129	C	C	.	.	H	α-helix	trans	-59.8	-45.6	178.8	-69.1	0	0	0	0	111.6	R235 Y236 L242 Q243 F244	R235-C239 PolarHBondContact O-N 2.81Å; R235-C239 VanDerWaalsContact O-N 3.11Å; Y236-C239 PolarHBondContact O-N 2.78Å; C239-L242 PolarHBondContact O-N 3.13Å; C239-Q243 WeakPolarHBondContact O-CA 3.32Å; C239-Q243 PolarHBondContact O-N 2.72Å; C239-F244 HydrophobicContact CB-CB 4.37Å; C239-F244 PolarHBondContact O-N 2.75Å
240	R	98.5	Very high	98.3	Very high	47 Å²	47	27.4 Å²	27.4	18%	0.177	14%	0.14	C	C	.	.	H	α-helix	trans	-64	-41.1	179.5	-67.5	-71.6	-66	101	3.4	113.1	E205 F208 Y236 I237 V238 Q243	E205-R240 VanDerWaalsContact CD-NH2 3.33Å; E205-R240 IonicContact OE1-CZ 2.73Å; E205-R240 IonicContact OE1-NE 2.78Å; E205-R240 IonicContact OE1-NH2 3.41Å; E205-R240 PolarHBondContact OE1-NH2 3.27Å; E205-R240 IonicContact OE2-CZ 3.68Å; E205-R240 IonicContact OE2-NE 3.2Å; E205-R240 PolarHBondContact OE2-NE 3.46Å; E205-R240 IonicContact OE2-NH2 3.82Å; E205-R240 PolarHBondContact OE2-NH2 2.87Å; F208-R240 HydrophobicContact CD1-CB 4.3Å; F208-R240 HydrophobicContact CD2-CB 3.8Å; F208-R240 HydrophobicContact CE1-CB 4.07Å; F208-R240 HydrophobicContact CE2-CB 3.52Å; F208-R240 HydrophobicContact CG-CB 4.19Å; F208-R240 HydrophobicContact CZ-CB 3.67Å; Y236-R240 HydrophobicContact CD1-CG 3.66Å; Y236-R240 HydrophobicContact CD2-CG 4.28Å; Y236-R240 HydrophobicContact CE1-CG 3.43Å; Y236-R240 VanDerWaalsContact CE1-CG 3.43Å; Y236-R240 HydrophobicContact CE2-CG 4.09Å; Y236-R240 HydrophobicContact CG-CG 4.12Å; Y236-R240 WeakPolarHBondContact O-CB 3.42Å; Y236-R240 WeakPolarHBondContact O-CG 3.41Å; Y236-R240 PolarHBondContact O-N 3.12Å; I237-R240 PolarHBondContact O-N 2.84Å; V238-R240 VanDerWaalsContact C-N 3.35Å; V238-R240 PolarHBondContact O-N 2.83Å; R240-Q243 PolarHBondContact O-N 3Å
241	A	98.6	Very high	98.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-72.7	-31.5	-179.7	0	0	0	0	0	112.9	W58 F208 I212 I237 V238 L262 V270	W58-A241 WeakPolarHBondContact CH2-O 3.46Å; F208-A241 HydrophobicContact CE2-CB 4.02Å; I212-A241 HydrophobicContact CG2-CB 4.17Å; I237-A241 WeakPolarHBondContact O-CB 3.31Å; I237-A241 PolarHBondContact O-N 2.88Å; V238-A241 PolarHBondContact O-N 2.67Å; A241-L262 HydrophobicContact CB-CD1 3.95Å; A241-V270 HydrophobicContact CB-CG1 4.15Å; A241-V270 WeakPolarHBondContact O-CB 3.3Å; A241-V270 WeakPolarHBondContact O-CG2 3.25Å
242	L	98.5	Very high	98.3	Very high	22 Å²	22	36.6 Å²	36.6	12%	0.115	18%	0.176	C	C	.	.	H	α-helix	trans	-90.2	-1.7	175.8	-60.5	175.8	0	0	0	113.3	V238 C239 F244 L262 V270 L272	V238-L242 HydrophobicContact CG1-CD1 3.77Å; V238-L242 WeakPolarHBondContact O-CB 3.36Å; V238-L242 WeakPolarHBondContact O-CG 3.41Å; V238-L242 PolarHBondContact O-N 3.44Å; C239-L242 PolarHBondContact O-N 3.13Å; L242-F244 HydrophobicContact CB-CD1 4.25Å; L242-F244 HydrophobicContact CB-CD2 3.94Å; L242-F244 HydrophobicContact CB-CE1 4.24Å; L242-F244 HydrophobicContact CB-CE2 3.94Å; L242-F244 HydrophobicContact CB-CG 4.1Å; L242-F244 HydrophobicContact CB-CZ 4.09Å; L242-F244 HydrophobicContact CD1-CD2 4.06Å; L242-F244 HydrophobicContact CD1-CE2 3.54Å; L242-F244 HydrophobicContact CD1-CZ 4.09Å; L242-F244 HydrophobicContact CG-CE2 4.4Å; L242-F244 PolarHBondContact O-N 3.19Å; L242-L262 HydrophobicContact CD2-CD2 4.24Å; L242-L262 HydrophobicContact CG-CD2 4.43Å; L242-V270 HydrophobicContact CD2-CG1 4.04Å; L242-L272 HydrophobicContact CD1-CB 4Å; L242-L272 HydrophobicContact CD1-CD2 4.01Å; L242-L272 HydrophobicContact CD2-CB 4.17Å
243	Q	98.3	Very high	98.3	Very high	56 Å²	56	39.4 Å²	39.4	26%	0.262	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	29.5	-175.8	-52.7	-176.3	19.1	0	0	113.7	W58 D59 C239 R240	W58-Q243 HydrophobicContact CD2-CG 4.48Å; W58-Q243 VanDerWaalsContact CE2-NE2 3.31Å; W58-Q243 HydrophobicContact CE3-CB 4.07Å; W58-Q243 VanDerWaalsContact CE3-CD 3.43Å; W58-Q243 HydrophobicContact CE3-CG 3.81Å; W58-Q243 HydrophobicContact CH2-CG 4.06Å; W58-Q243 HydrophobicContact CZ3-CB 4.05Å; W58-Q243 HydrophobicContact CZ3-CG 3.58Å; D59-Q243 PolarHBondContact O-NE2 3.39Å; C239-Q243 WeakPolarHBondContact O-CA 3.32Å; C239-Q243 PolarHBondContact O-N 2.72Å; R240-Q243 PolarHBondContact O-N 3Å
244	F	98.2	Very high	98.3	Very high	118 Å²	118	39.7 Å²	39.7	52%	0.518	20%	0.199	S	C	.	.			trans	-76.1	156.3	166.7	-61.8	-22.2	0	0	0	110.3	C239 L242 P246	C239-F244 HydrophobicContact CB-CB 4.37Å; C239-F244 PolarHBondContact O-N 2.75Å; L242-F244 HydrophobicContact CB-CD1 4.25Å; L242-F244 HydrophobicContact CB-CD2 3.94Å; L242-F244 HydrophobicContact CB-CE1 4.24Å; L242-F244 HydrophobicContact CB-CE2 3.94Å; L242-F244 HydrophobicContact CB-CG 4.1Å; L242-F244 HydrophobicContact CB-CZ 4.09Å; L242-F244 HydrophobicContact CD1-CD2 4.06Å; L242-F244 HydrophobicContact CD1-CE2 3.54Å; L242-F244 HydrophobicContact CD1-CZ 4.09Å; L242-F244 HydrophobicContact CG-CE2 4.4Å; L242-F244 PolarHBondContact O-N 3.19Å; F244-P246 WeakPolarHBondContact O-CD 3.17Å; F244-P246 VanDerWaalsContact O-N 3.08Å
245	P	97.9	Very high	98.3	Very high	91 Å²	91	41.1 Å²	41.1	59%	0.591	21%	0.206	S	C	*	.			trans	-50.9	116.3	171.7	-26.3	35.2	0	0	0	110.2	E247 G248	P245-E247 WeakPolarHBondContact CA-OE2 3.25Å; P245-E247 WeakPolarHBondContact CB-OE2 3.31Å; P245-E247 PolarHBondContact O-N 3.13Å; P245-G248 PolarHBondContact O-N 2.93Å; P245-G248 VanDerWaalsContact O-N 3.15Å
246	P	97	Very high	98.3	Very high	30 Å²	30	39.8 Å²	39.8	20%	0.195	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-64.5	-22.4	-173.7	25.9	-33.8	0	0	0	112.3	I181 Y236 F244 G248 W249	I181-P246 HydrophobicContact CD1-CB 3.68Å; I181-P246 HydrophobicContact CD1-CG 3.66Å; Y236-P246 HydrophobicContact CD2-CB 4.2Å; Y236-P246 HydrophobicContact CE2-CB 3.89Å; F244-P246 WeakPolarHBondContact O-CD 3.17Å; F244-P246 VanDerWaalsContact O-N 3.08Å; P246-G248 PolarHBondContact O-N 3.47Å; P246-W249 VanDerWaalsContact O-CB 3.3Å; P246-W249 WeakPolarHBondContact O-CB 3.39Å; P246-W249 PolarHBondContact O-N 3.09Å; P246-W249 VanDerWaalsContact O-N 3.12Å
247	E	97.5	Very high	98.3	Very high	76 Å²	76	39 Å²	39	36%	0.355	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-61.9	-27.1	178.1	-52.4	71.5	-155	0	0	111.2	I181 P183 D184 P245 W249	I181-E247 HydrophobicContact CD1-CG 4Å; P183-E247 WeakPolarHBondContact CA-O 3.29Å; D184-E247 HydrophobicContact CB-CB 3.92Å; D184-E247 PolarHBondContact N-O 3.09Å; P245-E247 WeakPolarHBondContact CA-OE2 3.25Å; P245-E247 WeakPolarHBondContact CB-OE2 3.31Å; P245-E247 PolarHBondContact O-N 3.13Å; E247-W249 PolarHBondContact O-N 3.33Å; E247-W249 VanDerWaalsContact O-N 3.07Å
248	G	97.8	Very high	98.3	Very high	9 Å²	9	38.9 Å²	38.9	9%	0.093	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-68.8	2.7	175.1	0	0	0	0	0	114.8	P245 P246 L250 R251	P245-G248 PolarHBondContact O-N 2.93Å; P245-G248 VanDerWaalsContact O-N 3.15Å; P246-G248 PolarHBondContact O-N 3.47Å; G248-L250 VanDerWaalsContact C-N 3.29Å; G248-L250 PolarHBondContact O-N 2.96Å; G248-R251 VanDerWaalsContact O-CB 3.23Å; G248-R251 WeakPolarHBondContact O-CB 3.37Å; G248-R251 WeakPolarHBondContact O-CG 3.22Å; G248-R251 PolarHBondContact O-N 3.33Å
249	W	97.9	Very high	98.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-57.5	-34.3	-174.9	70.6	-90	0	0	0	114	P180 I181 P183 W190 N232 R235 P246 E247 R251 L252	P180-W249 HydrophobicContact CG-CD2 3.82Å; P180-W249 HydrophobicContact CG-CE3 4.26Å; P180-W249 HydrophobicContact CG-CG 4.21Å; P180-W249 HydrophobicContact CG-CH2 4.4Å; P180-W249 HydrophobicContact CG-CZ2 3.96Å; I181-W249 PolarHBondContact O-NE1 2.86Å; P183-W249 HydrophobicContact CB-CZ2 4.27Å; P183-W249 HydrophobicContact CG-CZ2 4.38Å; W190-W249 HydrophobicContact CE3-CH2 4.43Å; W190-W249 AromaticContact CH2-CH2 3.41Å; W190-W249 HydrophobicContact CH2-CH2 3.41Å; W190-W249 VanDerWaalsContact CH2-CH2 3.41Å; W190-W249 AromaticContact CH2-CZ2 3.61Å; W190-W249 HydrophobicContact CH2-CZ2 3.61Å; W190-W249 HydrophobicContact CZ2-CH2 4.22Å; W190-W249 AromaticContact CZ3-CH2 3.55Å; W190-W249 HydrophobicContact CZ3-CH2 3.55Å; W190-W249 AromaticContact CZ3-CZ2 3.55Å; W190-W249 HydrophobicContact CZ3-CZ2 3.55Å; N232-W249 HydrophobicContact CB-CE3 4.13Å; N232-W249 HydrophobicContact CB-CH2 4.11Å; N232-W249 HydrophobicContact CB-CZ3 3.58Å; N232-W249 VanDerWaalsContact OD1-CZ3 3.32Å; N232-W249 WeakPolarHBondContact OD1-CZ3 3.3Å; R235-W249 HydrophobicContact CB-CB 4.21Å; R235-W249 WeakPolarHBondContact CB-O 3.28Å; R235-W249 WeakPolarHBondContact CD-O 3.41Å; P246-W249 VanDerWaalsContact O-CB 3.3Å; P246-W249 WeakPolarHBondContact O-CB 3.39Å; P246-W249 PolarHBondContact O-N 3.09Å; P246-W249 VanDerWaalsContact O-N 3.12Å; E247-W249 PolarHBondContact O-N 3.33Å; E247-W249 VanDerWaalsContact O-N 3.07Å; W249-R251 VanDerWaalsContact C-N 3.29Å; W249-R251 PolarHBondContact O-N 2.51Å; W249-L252 PolarHBondContact O-N 2.8Å
250	L	97.3	Very high	98.3	Very high	45 Å²	45	38.9 Å²	38.9	24%	0.236	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-72.6	-15.6	175	-86.7	-169	0	0	0	114.4	P183 V187 W190 G248 L252	P183-L250 HydrophobicContact CB-CB 3.93Å; P183-L250 HydrophobicContact CB-CD1 3.61Å; P183-L250 HydrophobicContact CB-CG 3.74Å; P183-L250 HydrophobicContact CG-CD1 3.52Å; P183-L250 HydrophobicContact CG-CG 4.15Å; V187-L250 HydrophobicContact CB-CD1 4.45Å; V187-L250 HydrophobicContact CG1-CD1 3.85Å; V187-L250 HydrophobicContact CG2-CD1 3.69Å; W190-L250 HydrophobicContact CE3-CD1 4.38Å; G248-L250 VanDerWaalsContact C-N 3.29Å; G248-L250 PolarHBondContact O-N 2.96Å; L250-L252 PolarHBondContact O-N 2.65Å
251	R	98.2	Very high	98.3	Very high	157 Å²	157	38.1 Å²	38.1	59%	0.592	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-70.5	-19.2	175.7	-52.4	176.8	-167.8	-172.9	3.4	112.1	D184 G248 W249	D184-R251 VanDerWaalsContact O-CZ 3.26Å; D184-R251 PolarHBondContact O-NE 2.81Å; D184-R251 PolarHBondContact O-NH2 3.13Å; D184-R251 IonicContact OD2-CZ 2.67Å; D184-R251 IonicContact OD2-NH2 2.64Å; D184-R251 PolarHBondContact OD2-NH2 3.41Å; G248-R251 VanDerWaalsContact O-CB 3.23Å; G248-R251 WeakPolarHBondContact O-CB 3.37Å; G248-R251 WeakPolarHBondContact O-CG 3.22Å; G248-R251 PolarHBondContact O-N 3.33Å; W249-R251 VanDerWaalsContact C-N 3.29Å; W249-R251 PolarHBondContact O-N 2.51Å
252	L	98.5	Very high	98.4	Very high	44 Å²	44	38.1 Å²	38.1	23%	0.23	20%	0.196	C	C	.	.			trans	-86.7	139.4	174.5	-59	175.1	0	0	0	110.1	R235 V238 W249 L250 L275	R235-L252 HydrophobicContact CB-CB 4.29Å; R235-L252 HydrophobicContact CB-CD1 4.18Å; R235-L252 WeakPolarHBondContact CD-O 3.32Å; R235-L252 HydrophobicContact CG-CB 3.71Å; R235-L252 HydrophobicContact CG-CD1 4.29Å; R235-L252 PolarHBondContact NH1-O 3.24Å; V238-L252 HydrophobicContact CB-CD1 4.28Å; V238-L252 HydrophobicContact CG1-CD1 4.01Å; W249-L252 PolarHBondContact O-N 2.8Å; L250-L252 PolarHBondContact O-N 2.65Å; L252-L275 HydrophobicContact CD1-CD1 4.25Å; L252-L275 HydrophobicContact CD2-CD1 4.06Å; L252-L275 HydrophobicContact CD2-CD2 4.5Å
253	S	98.5	Very high	98.4	Very high	77 Å²	77	37.4 Å²	37.4	54%	0.538	19%	0.192	S	C	.	.			trans	-124.1	140.9	173.9	-157.1	0	0	0	0	110
254	L	98.8	Very high	98.4	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.026	18%	0.179	C	C	.	.			trans	-135	125.5	-174.4	-63.9	175.6	0	0	0	109.1	R104 I234 R235 L275	R104-L254 PolarHBondContact NH1-O 3.15Å; I234-L254 HydrophobicContact CB-CD1 3.74Å; I234-L254 HydrophobicContact CD1-CD1 4.4Å; I234-L254 HydrophobicContact CG2-CD1 3.51Å; R235-L254 HydrophobicContact CG-CD1 3.71Å; R235-L254 HydrophobicContact CG-CG 4.16Å; L254-L275 HydrophobicContact CD2-CD2 3.72Å; L254-L275 HydrophobicContact CD2-CG 4Å
255	N	98.9	Very high	98.4	Very high	31 Å²	31	34.4 Å²	34.4	17%	0.166	18%	0.175	C	C	.	.			trans	-71.7	160.1	175.7	-64.2	-30.7	0	0	0	111	R104 S258 T278 I286 T287 R288	R104-N255 WeakPolarHBondContact CD-O 3.47Å; N255-S258 WeakPolarHBondContact O-CB 3.19Å; N255-S258 PolarHBondContact O-N 2.8Å; N255-S258 PolarHBondContact O-OG 3.47Å; N255-T278 HydrophobicContact CB-CG2 3.69Å; N255-T278 PolarHBondContact ND2-OG1 2.86Å; N255-I286 HydrophobicContact CB-CG2 4.04Å; N255-I286 VanDerWaalsContact ND2-CG2 3.32Å; N255-I286 WeakPolarHBondContact ND2-CG2 3.49Å; N255-T287 CarbonylContact C-O 3.57Å; N255-T287 VanDerWaalsContact CA-O 3.24Å; N255-T287 WeakPolarHBondContact CA-O 3.16Å; N255-T287 WeakPolarHBondContact CB-O 3.23Å; N255-R288 WeakPolarHBondContact OD1-CG 3.3Å
256	N	98.9	Very high	98.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	139.9	170.9	-66.1	94.5	0	0	0	110.2	H105 S106 Q107 S258 T287 R288 S289	H105-N256 WeakPolarHBondContact O-CA 2.96Å; S106-N256 PolarHBondContact O-ND2 2.86Å; Q107-N256 WeakPolarHBondContact CA-ND2 3.47Å; Q107-N256 PolarHBondContact N-ND2 3.07Å; N256-S258 PolarHBondContact O-N 2.75Å; N256-S258 VanDerWaalsContact O-N 3.13Å; N256-T287 WeakPolarHBondContact CB-OG1 3.4Å; N256-T287 VanDerWaalsContact CG-OG1 3.29Å; N256-T287 PolarHBondContact N-O 3.45Å; N256-T287 PolarHBondContact OD1-O 3.27Å; N256-T287 VanDerWaalsContact OD1-O 3.12Å; N256-T287 PolarHBondContact OD1-OG1 3.39Å; N256-R288 VanDerWaalsContact OD1-CA 3.23Å; N256-R288 WeakPolarHBondContact OD1-CA 3.06Å; N256-R288 PolarHBondContact OD1-N 2.83Å; N256-R288 VanDerWaalsContact OD1-N 3.12Å; N256-S289 PolarHBondContact ND2-OXT 3.14Å; N256-S289 VanDerWaalsContact OD1-C 3.3Å; N256-S289 PolarHBondContact OD1-N 3.37Å; N256-S289 PolarHBondContact OD1-OXT 3.08Å
257	G	98.8	Very high	98.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	0.3	-174.6	0	0	0	0	0	115.4	R104 H105 T131	R104-G257 WeakPolarHBondContact O-CA 3.44Å; R104-G257 PolarHBondContact O-N 3.12Å; R104-G257 VanDerWaalsContact O-N 3.09Å; H105-G257 PolarHBondContact O-N 2.97Å; H105-G257 VanDerWaalsContact O-N 3.14Å; T131-G257 WeakPolarHBondContact CG2-O 2.97Å; T131-G257 PolarHBondContact OG1-O 3.11Å
258	S	98.9	Very high	98.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.153	C	C	.	.			trans	-67.3	140.5	-171	76.4	0	0	0	0	113.6	I103 R104 N255 N256 D277	I103-S258 WeakPolarHBondContact CA-O 3.29Å; R104-S258 PolarHBondContact N-O 3.07Å; N255-S258 WeakPolarHBondContact O-CB 3.19Å; N255-S258 PolarHBondContact O-N 2.8Å; N255-S258 PolarHBondContact O-OG 3.47Å; N256-S258 PolarHBondContact O-N 2.75Å; N256-S258 VanDerWaalsContact O-N 3.13Å; S258-D277 CarbonylContact C-O 3.51Å; S258-D277 VanDerWaalsContact CA-O 3.28Å; S258-D277 WeakPolarHBondContact CA-O 3.28Å
259	I	98.9	Very high	98.3	Very high	9 Å²	9	37.5 Å²	37.5	5%	0.046	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	132.8	177.6	-55.7	175.1	0	0	0	110.1	F101 I103 T131 R134 L135 G276 D277 F280	F101-I259 HydrophobicContact CD1-CG2 4.05Å; I103-I259 HydrophobicContact CG1-CG1 4.46Å; T131-I259 HydrophobicContact CG2-CD1 4.18Å; T131-I259 HydrophobicContact CG2-CG1 4.04Å; R134-I259 HydrophobicContact CB-CD1 4.37Å; R134-I259 HydrophobicContact CG-CD1 3.87Å; L135-I259 HydrophobicContact CD2-CD1 4.1Å; L135-I259 HydrophobicContact CG-CD1 4.26Å; I259-G276 PolarHBondContact O-N 3.37Å; I259-D277 HydrophobicContact CB-CB 4.41Å; I259-D277 PolarHBondContact N-O 3.11Å; I259-D277 WeakPolarHBondContact O-CB 3.18Å; I259-D277 PolarHBondContact O-N 3.35Å; I259-F280 HydrophobicContact CD1-CE1 3.75Å; I259-F280 HydrophobicContact CD1-CZ 4.03Å; I259-F280 HydrophobicContact CG1-CE1 3.99Å; I259-F280 HydrophobicContact CG1-CZ 4.15Å
260	T	98.9	Very high	98.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124	173.2	-64.6	0	0	0	0	108.7	L102 I234 V238 L272 T274 L275 G276	L102-T260 PolarHBondContact N-O 3.12Å; L102-T260 PolarHBondContact O-N 2.86Å; I234-T260 HydrophobicContact CG2-CG2 4.42Å; V238-T260 HydrophobicContact CG2-CG2 3.81Å; T260-L272 HydrophobicContact CG2-CD1 4.04Å; T260-T274 WeakPolarHBondContact CA-O 3.36Å; T260-L275 HydrophobicContact CG2-CB 4.27Å; T260-L275 HydrophobicContact CG2-CD1 4.45Å; T260-L275 HydrophobicContact CG2-CG 4.16Å; T260-G276 PolarHBondContact OG1-N 2.9Å
261	H	98.9	Very high	98.4	Very high	31 Å²	31	38.5 Å²	38.5	14%	0.144	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	111.4	-169.2	-177.3	-157.2	0	0	0	111.2	H99 I100 F101 R273 T274	H99-H261 AromaticContact CG-NE2 3.75Å; H99-H261 AromaticContact ND1-CE1 3.48Å; H99-H261 PolarHBondContact ND1-CE1 3.2Å; H99-H261 AromaticContact ND1-NE2 3.16Å; H99-H261 PolarHBondContact ND1-NE2 3.34Å; H99-H261 VanDerWaalsContact ND1-NE2 3.16Å; I100-H261 WeakPolarHBondContact O-CA 3.48Å; F101-H261 HydrophobicContact CD1-CB 4.44Å; F101-H261 HydrophobicContact CE1-CB 4.47Å; F101-H261 AromaticContact CE1-CD2 3.85Å; F101-H261 AromaticContact CE1-CG 3.93Å; F101-H261 AromaticContact CZ-CD2 3.9Å; F101-H261 AromaticContact CZ-CE1 3.99Å; F101-H261 AromaticContact CZ-NE2 3.67Å; H261-R273 HydrophobicContact CB-CB 4.16Å; H261-R273 PolarHBondContact O-N 3.36Å; H261-T274 HydrophobicContact CB-CG2 3.99Å; H261-T274 PolarHBondContact N-O 3.14Å
262	L	98.9	Very high	98.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	146.4	169.6	-67.1	168.3	0	0	0	110	I100 L102 I237 A241 L242 V270 A271 L272	I100-L262 HydrophobicContact CB-CB 4.24Å; I100-L262 PolarHBondContact N-O 3.43Å; I100-L262 PolarHBondContact O-N 3.16Å; L102-L262 HydrophobicContact CD1-CD1 3.93Å; I237-L262 HydrophobicContact CG2-CD1 4.27Å; A241-L262 HydrophobicContact CB-CD1 3.95Å; L242-L262 HydrophobicContact CD2-CD2 4.24Å; L242-L262 HydrophobicContact CG-CD2 4.43Å; L262-V270 HydrophobicContact CD2-CG1 4.04Å; L262-A271 CarbonylContact C-O 3.55Å; L262-A271 WeakPolarHBondContact CA-O 3.48Å; L262-L272 HydrophobicContact CD2-CB 4.16Å; L262-L272 HydrophobicContact CD2-CD1 3.69Å; L262-L272 HydrophobicContact CG-CD1 4.34Å
263	V	98.9	Very high	98.5	Very high	6 Å²	6	40.2 Å²	40.2	4%	0.036	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	116.1	175	177.4	0	0	0	0	108.4	T97 V270 A271 R273	T97-V263 HydrophobicContact CG2-CG1 3.47Å; T97-V263 VanDerWaalsContact CG2-CG1 3.47Å; V263-V270 CarbonylContact O-C 3.51Å; V263-V270 WeakPolarHBondContact O-CA 3.29Å; V263-A271 PolarHBondContact N-O 2.67Å; V263-A271 PolarHBondContact O-N 2.75Å; V263-R273 HydrophobicContact CB-CG 4.46Å; V263-R273 HydrophobicContact CG2-CG 3.57Å
264	I	98.8	Very high	98.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	110.1	178.4	-47.8	176.1	0	0	0	107.9	W62 T97 R98 I100 I212 H213 R214 V270	W62-I264 HydrophobicContact CZ2-CG2 4.28Å; T97-I264 WeakPolarHBondContact CA-O 3.49Å; T97-I264 WeakPolarHBondContact CG2-O 3.26Å; R98-I264 HydrophobicContact CB-CB 4.38Å; R98-I264 PolarHBondContact N-O 2.99Å; R98-I264 PolarHBondContact O-N 3.45Å; I100-I264 HydrophobicContact CG1-CD1 3.98Å; I100-I264 HydrophobicContact CG1-CG1 4.32Å; I212-I264 HydrophobicContact CG2-CD1 3.99Å; H213-I264 WeakPolarHBondContact O-CD1 3.44Å; R214-I264 HydrophobicContact CB-CG2 4.36Å; I264-V270 HydrophobicContact CG1-CG2 4.27Å; I264-V270 HydrophobicContact CG2-CG2 4.31Å
265	R	98.5	Very high	98.5	Very high	112 Å²	112	41.1 Å²	41.1	42%	0.423	20%	0.196	S	C	.	.			trans	-76.9	155.7	178.1	-67.6	-62.8	-176	-171.4	3.5	110.9	T97 N267 G268 R269	T97-R265 PolarHBondContact OG1-NH1 3.29Å; R265-N267 PolarHBondContact O-N 3.05Å; R265-N267 VanDerWaalsContact O-N 3.1Å; R265-G268 PolarHBondContact O-N 2.81Å; R265-R269 PolarHBondContact N-O 2.98Å
266	P	97.5	Very high	98.5	Very high	34 Å²	34	40.3 Å²	40.3	22%	0.221	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-29.2	-176.6	0.3	-5	0	0	0	113.6	A94 K95 A96 G268	A94-P266 HydrophobicContact CB-CB 3.99Å; A94-P266 WeakPolarHBondContact O-CB 3.41Å; K95-P266 WeakPolarHBondContact O-CG 3.41Å; A96-P266 WeakPolarHBondContact O-CB 3.34Å; A96-P266 WeakPolarHBondContact O-CD 3.33Å; A96-P266 WeakPolarHBondContact O-CG 3.31Å; P266-G268 PolarHBondContact O-N 3.28Å
267	N	95.2	Very high	98.5	Very high	85 Å²	85	42.3 Å²	42.3	46%	0.455	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	17.5	174.1	83.9	-38.3	0	0	0	114.9	R265 R269	R265-N267 PolarHBondContact O-N 3.05Å; R265-N267 VanDerWaalsContact O-N 3.1Å; N267-R269 VanDerWaalsContact C-N 3.28Å; N267-R269 PolarHBondContact ND2-NE 2.83Å; N267-R269 VanDerWaalsContact ND2-NE 3.13Å; N267-R269 PolarHBondContact O-N 3.29Å; N267-R269 PolarHBondContact OD1-NE 3.42Å
268	G	96.8	Very high	98.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	80.1	-7.7	174.8	0	0	0	0	0	115.8	W62 R265 P266	W62-G268 PolarHBondContact NE1-O 2.8Å; R265-G268 PolarHBondContact O-N 2.81Å; P266-G268 PolarHBondContact O-N 3.28Å
269	R	98.3	Very high	98.5	Very high	151 Å²	151	46.4 Å²	46.4	57%	0.57	25%	0.246	S	C	*	.			trans	-66.1	134.3	174.4	-69.4	-178.6	-65.1	173.8	-1.9	110.9	R265 N267	R265-R269 PolarHBondContact N-O 2.98Å; N267-R269 VanDerWaalsContact C-N 3.28Å; N267-R269 PolarHBondContact ND2-NE 2.83Å; N267-R269 VanDerWaalsContact ND2-NE 3.13Å; N267-R269 PolarHBondContact O-N 3.29Å; N267-R269 PolarHBondContact OD1-NE 3.42Å
270	V	98.8	Very high	98.5	Very high	20 Å²	20	47.9 Å²	47.9	12%	0.121	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	142.2	175.4	-174	0	0	0	0	110	W58 W62 A241 L242 L262 V263 I264	W58-V270 HydrophobicContact CH2-CB 4.02Å; W58-V270 HydrophobicContact CH2-CG2 4.02Å; W58-V270 HydrophobicContact CZ2-CG2 4.49Å; W62-V270 HydrophobicContact CH2-CG2 4.4Å; W62-V270 HydrophobicContact CZ2-CG2 3.62Å; A241-V270 HydrophobicContact CB-CG1 4.15Å; A241-V270 WeakPolarHBondContact O-CB 3.3Å; A241-V270 WeakPolarHBondContact O-CG2 3.25Å; L242-V270 HydrophobicContact CD2-CG1 4.04Å; L262-V270 HydrophobicContact CD2-CG1 4.04Å; V263-V270 CarbonylContact O-C 3.51Å; V263-V270 WeakPolarHBondContact O-CA 3.29Å; I264-V270 HydrophobicContact CG1-CG2 4.27Å; I264-V270 HydrophobicContact CG2-CG2 4.31Å
271	A	98.9	Very high	98.5	Very high	46 Å²	46	48.3 Å²	48.3	38%	0.38	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	134.9	170	0	0	0	0	0	111.1	L262 V263	L262-A271 CarbonylContact C-O 3.55Å; L262-A271 WeakPolarHBondContact CA-O 3.48Å; V263-A271 PolarHBondContact N-O 2.67Å; V263-A271 PolarHBondContact O-N 2.75Å
272	L	98.9	Very high	98.5	Very high	63 Å²	63	49.6 Å²	49.6	33%	0.33	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	129.6	168.5	-175	65.8	0	0	0	109.2	L242 T260 L262 T274 L275	L242-L272 HydrophobicContact CD1-CB 4Å; L242-L272 HydrophobicContact CD1-CD2 4.01Å; L242-L272 HydrophobicContact CD2-CB 4.17Å; T260-L272 HydrophobicContact CG2-CD1 4.04Å; L262-L272 HydrophobicContact CD2-CB 4.16Å; L262-L272 HydrophobicContact CD2-CD1 3.69Å; L262-L272 HydrophobicContact CG-CD1 4.34Å; L272-T274 WeakPolarHBondContact CD1-O 3.38Å; L272-L275 HydrophobicContact CD1-CB 4.26Å; L272-L275 HydrophobicContact CD1-CD1 4.48Å; L272-L275 HydrophobicContact CD2-CB 4.08Å; L272-L275 HydrophobicContact CD2-CD1 3.96Å; L272-L275 HydrophobicContact CG-CB 4.5Å
273	R	98.8	Very high	98.4	Very high	174 Å²	174	55 Å²	55	66%	0.657	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	-35	-178.5	-64.5	-56.9	-57.9	158	0.5	113.1	H261 V263	H261-R273 HydrophobicContact CB-CB 4.16Å; H261-R273 PolarHBondContact O-N 3.36Å; V263-R273 HydrophobicContact CB-CG 4.46Å; V263-R273 HydrophobicContact CG2-CG 3.57Å
274	T	98.8	Very high	98.4	Very high	50 Å²	50	60.2 Å²	60.2	31%	0.307	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	157.7	165.9	-166.8	0	0	0	0	109.6	T260 H261 L272 D277	T260-T274 WeakPolarHBondContact CA-O 3.36Å; H261-T274 HydrophobicContact CB-CG2 3.99Å; H261-T274 PolarHBondContact N-O 3.14Å; L272-T274 WeakPolarHBondContact CD1-O 3.38Å; T274-D277 HydrophobicContact CG2-CB 3.83Å
275	L	98.9	Very high	98.4	Very high	52 Å²	52	62.6 Å²	62.6	27%	0.272	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	130.3	178.2	-176.8	147.5	0	0	0	109.5	V238 L252 L254 T260 L272 D277	V238-L275 HydrophobicContact CG1-CD1 3.86Å; V238-L275 HydrophobicContact CG2-CD1 4.26Å; L252-L275 HydrophobicContact CD1-CD1 4.25Å; L252-L275 HydrophobicContact CD2-CD1 4.06Å; L252-L275 HydrophobicContact CD2-CD2 4.5Å; L254-L275 HydrophobicContact CD2-CD2 3.72Å; L254-L275 HydrophobicContact CD2-CG 4Å; T260-L275 HydrophobicContact CG2-CB 4.27Å; T260-L275 HydrophobicContact CG2-CD1 4.45Å; T260-L275 HydrophobicContact CG2-CG 4.16Å; L272-L275 HydrophobicContact CD1-CB 4.26Å; L272-L275 HydrophobicContact CD1-CD1 4.48Å; L272-L275 HydrophobicContact CD2-CB 4.08Å; L272-L275 HydrophobicContact CD2-CD1 3.96Å; L272-L275 HydrophobicContact CG-CB 4.5Å; L275-D277 PolarHBondContact O-N 2.6Å
276	G	98.7	Very high	98.4	Very high	13 Å²	13	59.9 Å²	59.9	13%	0.134	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	65.8	23.9	179.9	0	0	0	0	0	114.4	I259 T260 T278	I259-G276 PolarHBondContact O-N 3.37Å; T260-G276 PolarHBondContact OG1-N 2.9Å; G276-T278 PolarHBondContact O-N 3.43Å
277	D	98.9	Very high	98.5	Very high	42 Å²	42	59.4 Å²	59.4	23%	0.225	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	118.7	-178.2	-175.2	7	0	0	0	110.9	S258 I259 T274 L275 G279 F280	S258-D277 CarbonylContact C-O 3.51Å; S258-D277 VanDerWaalsContact CA-O 3.28Å; S258-D277 WeakPolarHBondContact CA-O 3.28Å; I259-D277 HydrophobicContact CB-CB 4.41Å; I259-D277 PolarHBondContact N-O 3.11Å; I259-D277 WeakPolarHBondContact O-CB 3.18Å; I259-D277 PolarHBondContact O-N 3.35Å; T274-D277 HydrophobicContact CG2-CB 3.83Å; L275-D277 PolarHBondContact O-N 2.6Å; D277-G279 PolarHBondContact OD1-N 2.96Å; D277-F280 VanDerWaalsContact O-CE1 3.27Å; D277-F280 WeakPolarHBondContact O-CE1 3.36Å
278	T	98.8	Very high	98.7	Very high	10 Å²	10	62.9 Å²	62.9	6%	0.061	34%	0.335	C	S	.	.			trans	-134.2	22.7	166.4	49.2	0	0	0	0	110.7	N255 G276 F280 M281	N255-T278 HydrophobicContact CB-CG2 3.69Å; N255-T278 PolarHBondContact ND2-OG1 2.86Å; G276-T278 PolarHBondContact O-N 3.43Å; T278-F280 PolarHBondContact O-N 2.92Å; T278-F280 VanDerWaalsContact O-N 3.12Å; T278-M281 HydrophobicContact CG2-CE 4.01Å; T278-M281 HydrophobicContact CG2-CG 4.46Å; T278-M281 HydrophobicContact CG2-SD 3.75Å; T278-M281 WeakPolarHBondContact O-CB 3.47Å; T278-M281 PolarHBondContact O-N 3.47Å
279	G	98.8	Very high	98.6	Very high	76 Å²	76	66.5 Å²	66.5	78%	0.784	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-7.2	179.4	0	0	0	0	0	114.2	D277	D277-G279 PolarHBondContact OD1-N 2.96Å
280	F	98.8	Very high	98.6	Very high	41 Å²	41	62.3 Å²	62.3	18%	0.18	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-6.3	170.2	61.4	-91.9	0	0	0	113.5	L130 T131 R134 I259 D277 T278	L130-F280 HydrophobicContact CB-CD2 4.21Å; L130-F280 HydrophobicContact CB-CE2 4.21Å; L130-F280 WeakPolarHBondContact O-CD2 3.37Å; T131-F280 HydrophobicContact CG2-CZ 4.28Å; R134-F280 HydrophobicContact CB-CB 4.18Å; R134-F280 HydrophobicContact CB-CD1 4.13Å; R134-F280 HydrophobicContact CB-CD2 3.74Å; R134-F280 HydrophobicContact CB-CE1 4.44Å; R134-F280 HydrophobicContact CB-CE2 4.11Å; R134-F280 HydrophobicContact CB-CG 3.75Å; R134-F280 HydrophobicContact CB-CZ 4.44Å; R134-F280 HydrophobicContact CG-CB 3.98Å; R134-F280 HydrophobicContact CG-CD1 3.62Å; R134-F280 HydrophobicContact CG-CD2 4.16Å; R134-F280 HydrophobicContact CG-CE1 4.08Å; R134-F280 HydrophobicContact CG-CG 3.65Å; I259-F280 HydrophobicContact CD1-CE1 3.75Å; I259-F280 HydrophobicContact CD1-CZ 4.03Å; I259-F280 HydrophobicContact CG1-CE1 3.99Å; I259-F280 HydrophobicContact CG1-CZ 4.15Å; D277-F280 VanDerWaalsContact O-CE1 3.27Å; D277-F280 WeakPolarHBondContact O-CE1 3.36Å; T278-F280 PolarHBondContact O-N 2.92Å; T278-F280 VanDerWaalsContact O-N 3.12Å
281	M	98.8	Very high	98.6	Very high	9 Å²	9	64.5 Å²	64.5	4%	0.044	36%	0.362	C	S	.	.	S	Bend	trans	-96.2	139.8	176.1	-60.2	-173	176.8	0	0	110.4	Q127 L130 T131 T278 I286	Q127-M281 HydrophobicContact CB-CE 3.96Å; Q127-M281 HydrophobicContact CG-CE 4.24Å; Q127-M281 HydrophobicContact CG-SD 4.14Å; L130-M281 HydrophobicContact CB-CG 4.32Å; L130-M281 HydrophobicContact CD1-CB 4.29Å; L130-M281 HydrophobicContact CD1-CG 4.12Å; T131-M281 WeakPolarHBondContact OG1-CE 3.49Å; T278-M281 HydrophobicContact CG2-CE 4.01Å; T278-M281 HydrophobicContact CG2-CG 4.46Å; T278-M281 HydrophobicContact CG2-SD 3.75Å; T278-M281 WeakPolarHBondContact O-CB 3.47Å; T278-M281 PolarHBondContact O-N 3.47Å; M281-I286 HydrophobicContact CB-CD1 4.35Å; M281-I286 HydrophobicContact CB-CG1 3.86Å; M281-I286 HydrophobicContact SD-CG1 4.48Å
282	P	98.8	Very high	98.6	Very high	57 Å²	57	65.6 Å²	65.6	37%	0.37	36%	0.361	S	S	.	.			trans	-56.5	141.1	165.9	-24.8	35.7	0	0	0	111.2	D284 K285	P282-D284 VanDerWaalsContact C-N 3.25Å; P282-D284 WeakPolarHBondContact CB-OD1 3.48Å; P282-D284 PolarHBondContact O-N 3.48Å; P282-D284 VanDerWaalsContact O-N 3.16Å; P282-K285 HydrophobicContact CB-CG 4.04Å; P282-K285 HydrophobicContact CG-CG 4.26Å; P282-K285 WeakPolarHBondContact O-CB 3.27Å; P282-K285 PolarHBondContact O-N 3.43Å
283	P	98.8	Very high	98.6	Very high	114 Å²	114	65.7 Å²	65.7	74%	0.74	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-58.9	-31.2	-172.6	-27.9	36.1	0	0	0	115.2	K285 I286	P283-K285 PolarHBondContact O-N 3.2Å; P283-I286 PolarHBondContact O-N 3.19Å
284	D	98.6	Very high	98.6	Very high	116 Å²	116	58.9 Å²	58.9	62%	0.62	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-68.7	-14.1	175.6	63.8	-62.2	0	0	0	113.5	P282	P282-D284 VanDerWaalsContact C-N 3.25Å; P282-D284 WeakPolarHBondContact CB-OD1 3.48Å; P282-D284 PolarHBondContact O-N 3.48Å; P282-D284 VanDerWaalsContact O-N 3.16Å
285	K	98.7	Very high	98.5	Very high	49 Å²	49	59.5 Å²	59.5	21%	0.213	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-97.8	-4.3	179.7	-54.7	-64.7	177.3	173.9	0	113.7	L123 E126 Q127 L130 P282 P283	L123-K285 HydrophobicContact CD1-CB 4Å; L123-K285 HydrophobicContact CD1-CD 3.45Å; L123-K285 VanDerWaalsContact CD1-CD 3.45Å; L123-K285 HydrophobicContact CD1-CG 4.33Å; E126-K285 IonicContact OE1-NZ 2.67Å; E126-K285 VanDerWaalsContact OE2-CE 3.28Å; E126-K285 WeakPolarHBondContact OE2-CE 3.02Å; E126-K285 IonicContact OE2-NZ 2.8Å; E126-K285 PolarHBondContact OE2-NZ 2.9Å; Q127-K285 PolarHBondContact NE2-O 3.26Å; L130-K285 HydrophobicContact CD1-CB 4.47Å; P282-K285 HydrophobicContact CB-CG 4.04Å; P282-K285 HydrophobicContact CG-CG 4.26Å; P282-K285 WeakPolarHBondContact O-CB 3.27Å; P282-K285 PolarHBondContact O-N 3.43Å; P283-K285 PolarHBondContact O-N 3.2Å
286	I	98.9	Very high	98.5	Very high	56 Å²	56	60.1 Å²	60.1	29%	0.287	35%	0.353	S	S	.	.			trans	-89.2	119.9	-172.8	-60.7	177.7	0	0	0	111.4	N255 M281 P283	N255-I286 HydrophobicContact CB-CG2 4.04Å; N255-I286 VanDerWaalsContact ND2-CG2 3.32Å; N255-I286 WeakPolarHBondContact ND2-CG2 3.49Å; M281-I286 HydrophobicContact CB-CD1 4.35Å; M281-I286 HydrophobicContact CB-CG1 3.86Å; M281-I286 HydrophobicContact SD-CG1 4.48Å; P283-I286 PolarHBondContact O-N 3.19Å
287	T	98.8	Very high	98.5	Very high	24 Å²	24	63.7 Å²	63.7	15%	0.147	37%	0.369	C	S	.	.			trans	-128.2	169	178.4	65.5	0	0	0	0	112.5	L123 Q127 N255 N256	L123-T287 HydrophobicContact CD2-CG2 3.72Å; Q127-T287 PolarHBondContact NE2-OG1 3.2Å; N255-T287 CarbonylContact C-O 3.57Å; N255-T287 VanDerWaalsContact CA-O 3.24Å; N255-T287 WeakPolarHBondContact CA-O 3.16Å; N255-T287 WeakPolarHBondContact CB-O 3.23Å; N256-T287 WeakPolarHBondContact CB-OG1 3.4Å; N256-T287 VanDerWaalsContact CG-OG1 3.29Å; N256-T287 PolarHBondContact N-O 3.45Å; N256-T287 PolarHBondContact OD1-O 3.27Å; N256-T287 VanDerWaalsContact OD1-O 3.12Å; N256-T287 PolarHBondContact OD1-OG1 3.39Å
288	R	98.5	Very high	98.5	Very high	157 Å²	157	65.5 Å²	65.5	59%	0.592	38%	0.382	S	S	*	.			trans	-122.8	-3.4	174	-72.1	-176.3	-61.9	-76.9	-0.5	114.9	R104 N255 N256	R104-R288 VanDerWaalsContact CZ-O 3.29Å; R104-R288 PolarHBondContact NH1-O 3.28Å; R104-R288 PolarHBondContact NH2-O 2.95Å; N255-R288 WeakPolarHBondContact OD1-CG 3.3Å; N256-R288 VanDerWaalsContact OD1-CA 3.23Å; N256-R288 WeakPolarHBondContact OD1-CA 3.06Å; N256-R288 PolarHBondContact OD1-N 2.83Å; N256-R288 VanDerWaalsContact OD1-N 3.12Å
289	S	95.5	Very high	98.4	Very high	77 Å²	77	70.5 Å²	70.5	54%	0.538	41%	0.411	S	S	.	.			trans	-131.2	0	172.2	54.6	0	0	0	0	107.4	Q107 N256	Q107-S289 VanDerWaalsContact CG-O 3.3Å; Q107-S289 WeakPolarHBondContact CG-O 3.48Å; Q107-S289 PolarHBondContact NE2-O 2.86Å; N256-S289 PolarHBondContact ND2-OXT 3.14Å; N256-S289 VanDerWaalsContact OD1-C 3.3Å; N256-S289 PolarHBondContact OD1-N 3.37Å; N256-S289 PolarHBondContact OD1-OXT 3.08Å

Retrieved 289 of 289 residues in 235 ms (Link to these results)

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