A0A087XY48_POEFO Loading...

NADH dehydrogenase [ubiquinone] iron-sulfur protein 3, mitochondrial

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Essential for the catalytic activity and assembly of complex I.

AlphaFold DB , UniProt , Accession A0A087XY48, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 262 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35	Very low	29.4	Very low	241 Å²	241	149 Å²	149	100%	1.187	82%	0.82	S	S	*	*				0	121.5	0	-76.1	-156.6	-162	0	0	108.6
2	A	31.5	Very low	29.3	Very low	94 Å²	94	142.5 Å²	142.5	78%	0.777	81%	0.813	S	S	*	*			trans	49.5	114.4	149	0	0	0	0	0	118.9
3	A	29.4	Very low	29.1	Very low	100 Å²	100	149 Å²	149	83%	0.826	83%	0.827	S	S	*	*				63.7	136.2	74.7	0	0	0	0	0	110.9
4	S	27.4	Very low	29.1	Very low	96 Å²	96	143.3 Å²	143.3	67%	0.671	82%	0.819	S	S	*	*			cis	179.3	154.7	33.6	-169.1	0	0	0	0	108.4
5	L	30.3	Very low	29.2	Very low	132 Å²	132	149.8 Å²	149.8	69%	0.691	83%	0.825	S	S	*	*			trans	15.8	134.3	145.3	-75.4	96.6	0	0	0	121.1
6	V	33.3	Very low	29.1	Very low	152 Å²	152	145.7 Å²	145.7	92%	0.921	81%	0.81	S	S	*	*				-129.4	121.2	129.5	179	0	0	0	0	109.6
7	R	27.5	Very low	28.9	Very low	213 Å²	213	148.2 Å²	148.2	80%	0.804	81%	0.811	S	S	*	*			trans	-117.3	139.7	167.9	-117.3	-177	-179.7	172.1	0.6	105.8
8	F	25.9	Very low	28.7	Very low	195 Å²	195	147 Å²	147	86%	0.855	80%	0.803	S	S	*	*			trans	159.3	146.6	144	-110.1	-112.8	0	0	0	108.5
9	V	29.5	Very low	28.7	Very low	92 Å²	92	147.4 Å²	147.4	56%	0.558	80%	0.804	S	S	*	*			cis	171.3	142.2	-19.4	128.9	0	0	0	0	105.8
10	R	27.8	Very low	28.8	Very low	246 Å²	246	144.8 Å²	144.8	93%	0.928	80%	0.803	S	S	*	*			trans	54.5	144.7	155.3	-73.9	170.6	169.6	172.8	-6.2	119.2
11	G	26.3	Very low	28.8	Very low	78 Å²	78	149 Å²	149	80%	0.804	81%	0.807	S	S	*	*			cis	161	165.9	7.7	0	0	0	0	0	109.7
12	G	27.3	Very low	28.5	Very low	71 Å²	71	143.6 Å²	143.6	73%	0.732	79%	0.787	S	S	*	*			trans	124.4	89.3	166	0	0	0	0	0	114.1
13	F	27.2	Very low	28.4	Very low	227 Å²	227	144.2 Å²	144.2	100%	0.996	79%	0.786	S	S	*	*				80.4	113.4	94.9	-110	-88	0	0	0	115.6
14	G	29.2	Very low	28.3	Very low	69 Å²	69	144.7 Å²	144.7	71%	0.711	78%	0.782	S	S	*	*			trans	176.3	89.3	166.1	0	0	0	0	0	114.3
15	R	31.2	Very low	28.5	Very low	241 Å²	241	148.4 Å²	148.4	91%	0.909	79%	0.793	S	S	*	*			trans	32.8	146	141.9	-59.4	178.1	175.3	-166.3	-2.2	119.9
16	S	26.7	Very low	28.4	Very low	84 Å²	84	149.2 Å²	149.2	59%	0.587	80%	0.797	S	S	*	*			cis	-179.7	158.4	-12.6	-80.7	0	0	0	0	105.8
17	F	26	Very low	28.4	Very low	188 Å²	188	147.1 Å²	147.1	83%	0.825	79%	0.787	S	S	*	*			trans	68.5	139.3	159.1	-62.6	-66.1	0	0	0	116.5
18	N	26	Very low	28.9	Very low	127 Å²	127	145.7 Å²	145.7	68%	0.679	79%	0.789	S	S	*	*			cis	-172.7	165.5	2.5	-130.9	-22	0	0	0	108.1
19	L	27.9	Very low	29.2	Very low	154 Å²	154	145.1 Å²	145.1	81%	0.806	79%	0.789	S	S	*	*			trans	85.9	129.9	154.9	-89.5	91.6	0	0	0	122.5
20	A	30.2	Very low	29.4	Very low	95 Å²	95	147.7 Å²	147.7	79%	0.785	80%	0.798	S	S	*	*			trans	97	94.4	146.8	0	0	0	0	0	119.4
21	R	29.9	Very low	29.5	Very low	235 Å²	235	140.8 Å²	140.8	89%	0.887	79%	0.788	S	S	*	*			trans	-37.6	142.1	135.8	-77.1	173.3	164	-172.6	-5.4	109.2
22	T	27.6	Very low	29.8	Very low	127 Å²	127	140.8 Å²	140.8	78%	0.779	78%	0.78	S	S	*	*				175.9	140	66	-15.3	0	0	0	0	104
23	S	29.8	Very low	30	Very low	107 Å²	107	146 Å²	146	75%	0.748	79%	0.786	S	S	*	*				168.9	137.2	74.1	44.4	0	0	0	0	109.8
24	C	28.3	Very low	30.3	Very low	109 Å²	109	139.2 Å²	139.2	74%	0.736	77%	0.766	S	S	*	*			trans	37.7	97.7	143.8	-153.1	0	0	0	0	119.4	L26	C24-L26 PolarHBondContact O-N 3.41Å
25	L	30.3	Very low	30.7	Very low	175 Å²	175	141.6 Å²	141.6	92%	0.916	77%	0.772	S	S	*	*			trans	-74.6	105.4	151.8	-70.9	168.2	0	0	0	107.9	P27	L25-P27 WeakPolarHBondContact O-CD 3.48Å
26	L	29.2	Very low	31.3	Very low	148 Å²	148	134.8 Å²	134.8	78%	0.775	76%	0.758	S	S	*	*			trans	-65.5	121	165	-83.5	155.4	0	0	0	108.2	C24 Q28	C24-L26 PolarHBondContact O-N 3.41Å; L26-Q28 PolarHBondContact O-N 3.46Å
27	P	33.6	Very low	32.8	Very low	108 Å²	108	136.1 Å²	136.1	70%	0.701	76%	0.762	S	S	*	*			trans	-67.6	115.7	160.4	-0	16.2	0	0	0	106.2	L25 Q29	L25-P27 WeakPolarHBondContact O-CD 3.48Å; P27-Q29 VanDerWaalsContact C-N 3.27Å; P27-Q29 PolarHBondContact O-N 2.94Å
28	Q	37.1	Very low	34.3	Very low	183 Å²	183	134.3 Å²	134.3	86%	0.855	76%	0.756	S	S	*	*			trans	-57	100.2	159.3	-87.5	177.6	-32.9	0	0	106.6	L26 I30	L26-Q28 PolarHBondContact O-N 3.46Å; Q28-I30 PolarHBondContact O-N 3.13Å
29	Q	32.3	Very low	36.3	Very low	183 Å²	183	134.7 Å²	134.7	86%	0.855	76%	0.763	S	S	*	*			trans	-66.8	91.2	162	-74.1	-173.1	-38	0	0	106.1	P27 S31	P27-Q29 VanDerWaalsContact C-N 3.27Å; P27-Q29 PolarHBondContact O-N 2.94Å; Q29-S31 PolarHBondContact O-N 3.25Å
30	I	32.7	Very low	38.6	Very low	146 Å²	146	129.5 Å²	129.5	75%	0.749	74%	0.74	S	S	*	*			trans	-56.8	99.9	153.7	-62.1	169.8	0	0	0	103.8	Q28 A32	Q28-I30 PolarHBondContact O-N 3.13Å; I30-A32 PolarHBondContact O-N 2.96Å
31	S	31.5	Very low	41.3	Very low	102 Å²	102	131.6 Å²	131.6	71%	0.713	75%	0.745	S	S	*	*			trans	-62.5	89	162.3	173	0	0	0	0	105.4	Q29 Q33	Q29-S31 PolarHBondContact O-N 3.25Å; S31-Q33 VanDerWaalsContact C-N 3.29Å; S31-Q33 PolarHBondContact O-N 2.86Å
32	A	31.3	Very low	44.3	Very low	77 Å²	77	126.6 Å²	126.6	64%	0.636	74%	0.741	S	S	*	*			trans	-61.3	102.4	161.2	0	0	0	0	0	104.9	I30 S34	I30-A32 PolarHBondContact O-N 2.96Å; A32-S34 PolarHBondContact O-N 2.72Å
33	Q	32.5	Very low	47.3	Very low	181 Å²	181	123.9 Å²	123.9	85%	0.846	72%	0.724	S	S	*	*			trans	-64	85	160.8	-71.9	-177.3	-6.4	0	0	106.1	S31 S35	S31-Q33 VanDerWaalsContact C-N 3.29Å; S31-Q33 PolarHBondContact O-N 2.86Å; Q33-S35 PolarHBondContact O-N 3.3Å
34	S	32.7	Very low	50.1	Low	85 Å²	85	126 Å²	126	59%	0.594	72%	0.716	S	S	*	*			trans	-66.4	105.5	170.1	54.9	0	0	0	0	106.3	A32 T36	A32-S34 PolarHBondContact O-N 2.72Å; S34-T36 PolarHBondContact O-N 3.44Å
35	S	38.9	Very low	53	Low	119 Å²	119	125.6 Å²	125.6	83%	0.832	71%	0.712	S	S	*	*			trans	-70.1	64.5	166.9	61.2	0	0	0	0	108.9	Q33 T37	Q33-S35 PolarHBondContact O-N 3.3Å; S35-T37 PolarHBondContact O-N 2.98Å
36	T	43	Very low	55.8	Low	98 Å²	98	125.2 Å²	125.2	60%	0.601	70%	0.703	S	S	*	*			trans	-70.5	108.2	166.3	46.3	0	0	0	0	105.8	S34 E38	S34-T36 PolarHBondContact O-N 3.44Å; T36-E38 VanDerWaalsContact C-N 3.31Å; T36-E38 PolarHBondContact O-N 3.23Å
37	T	57.5	Low	58.7	Low	112 Å²	112	122 Å²	122	69%	0.687	69%	0.687	S	S	*	*			trans	-58.7	99.5	167.2	42.7	0	0	0	0	107.4	S35 T39	S35-T37 PolarHBondContact O-N 2.98Å; T37-T39 PolarHBondContact O-N 2.96Å
38	E	58.8	Low	61.5	Low	150 Å²	150	119.8 Å²	119.8	70%	0.701	68%	0.678	S	S	*	*			trans	-64.7	102.8	176.1	-69.6	-175.9	171.1	0	0	108.5	T36 S40	T36-E38 VanDerWaalsContact C-N 3.31Å; T36-E38 PolarHBondContact O-N 3.23Å; E38-S40 VanDerWaalsContact C-N 3.29Å; E38-S40 PolarHBondContact O-N 3.16Å
39	T	67.4	Low	64.2	Low	134 Å²	134	115.9 Å²	115.9	82%	0.822	67%	0.666	S	S	*	*			trans	-91.9	59.8	178.3	53.7	0	0	0	0	109.9	T37	T37-T39 PolarHBondContact O-N 2.96Å
40	S	76.4	Confident	67.1	Low	45 Å²	45	109.7 Å²	109.7	32%	0.315	64%	0.641	S	S	.	*			trans	-85.7	149.2	170.9	65	0	0	0	0	109.9	E38 T42 V43	E38-S40 VanDerWaalsContact C-N 3.29Å; E38-S40 PolarHBondContact O-N 3.16Å; S40-T42 PolarHBondContact O-N 3.01Å; S40-T42 VanDerWaalsContact O-N 3.16Å; S40-V43 PolarHBondContact O-N 3.47Å; S40-V43 VanDerWaalsContact O-N 3.16Å; S40-V43 WeakPolarHBondContact OG-CB 3.3Å; S40-V43 WeakPolarHBondContact OG-CG2 3.39Å
41	P	87.3	Confident	70	Confident	139 Å²	139	105.8 Å²	105.8	90%	0.903	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-18.5	-175.7	26.2	-35.2	0	0	0	113.7
42	T	91.9	Very high	73	Confident	130 Å²	130	105.8 Å²	105.8	80%	0.798	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-17.9	178.8	49.9	0	0	0	0	113.1	S40	S40-T42 PolarHBondContact O-N 3.01Å; S40-T42 VanDerWaalsContact O-N 3.16Å
43	V	90.6	Very high	76.1	Confident	70 Å²	70	108.1 Å²	108.1	42%	0.424	61%	0.609	S	S	.	*	S	Bend	trans	-89.3	131.8	-178.1	170.9	0	0	0	0	109.7	S40	S40-V43 PolarHBondContact O-N 3.47Å; S40-V43 VanDerWaalsContact O-N 3.16Å; S40-V43 WeakPolarHBondContact OG-CB 3.3Å; S40-V43 WeakPolarHBondContact OG-CG2 3.39Å
44	R	89.2	Confident	79.1	Confident	151 Å²	151	100.8 Å²	100.8	57%	0.57	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-59.7	129.6	176.1	-178.5	179.5	174	179.6	-2.2	109.9
45	P	89.9	Confident	82.1	Confident	101 Å²	101	98 Å²	98	66%	0.656	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-64.1	141.9	175.1	27.3	-34.3	0	0	0	110.6
46	K	87.9	Confident	84.8	Confident	167 Å²	167	94.9 Å²	94.9	73%	0.726	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-94.3	118.6	178.4	-66.8	-176	179	-179.5	0	110.3	A48	K46-A48 PolarHBondContact O-N 2.98Å; K46-A48 VanDerWaalsContact O-N 3.13Å
47	D	91.1	Very high	87.3	Confident	81 Å²	81	92.3 Å²	92.3	43%	0.433	52%	0.52	S	S	.	.			trans	-85.9	81.8	179.2	-57.1	-42.6	0	0	0	111.5	V49 T50 H51	D47-V49 PolarHBondContact O-N 2.77Å; D47-T50 HydrophobicContact CB-CG2 4.45Å; D47-T50 WeakPolarHBondContact CB-OG1 3.47Å; D47-T50 PolarHBondContact O-N 2.78Å; D47-T50 PolarHBondContact O-OG1 3.2Å; D47-H51 PolarHBondContact O-N 2.91Å
48	A	91.7	Very high	89.1	Confident	62 Å²	62	87 Å²	87	51%	0.512	49%	0.487	S	S	.	.	H	α-helix	trans	-58.7	-30.3	-176.7	0	0	0	0	0	113.9	K46 H51 N52	K46-A48 PolarHBondContact O-N 2.98Å; K46-A48 VanDerWaalsContact O-N 3.13Å; A48-H51 PolarHBondContact O-N 3.15Å; A48-N52 PolarHBondContact O-N 3.41Å; A48-N52 PolarHBondContact O-ND2 2.69Å
49	V	93.6	Very high	90.9	Very high	101 Å²	101	85.9 Å²	85.9	61%	0.612	48%	0.482	S	S	*	.	H	α-helix	trans	-63.5	-50.5	179.1	178.9	0	0	0	0	110.8	D47 H51 N52 Q53	D47-V49 PolarHBondContact O-N 2.77Å; V49-H51 VanDerWaalsContact C-N 3.32Å; V49-H51 PolarHBondContact O-N 3.43Å; V49-N52 PolarHBondContact O-N 2.8Å; V49-Q53 WeakPolarHBondContact O-CG 3.49Å; V49-Q53 PolarHBondContact O-N 2.97Å
50	T	92.9	Very high	92.3	Very high	53 Å²	53	82.5 Å²	82.5	33%	0.325	45%	0.454	S	S	.	.	H	α-helix	trans	-65.2	-38.8	179.4	59.2	0	0	0	0	111.4	D47 N52 Q53 L54 N78	D47-T50 HydrophobicContact CB-CG2 4.45Å; D47-T50 WeakPolarHBondContact CB-OG1 3.47Å; D47-T50 PolarHBondContact O-N 2.78Å; D47-T50 PolarHBondContact O-OG1 3.2Å; T50-N52 VanDerWaalsContact C-N 3.35Å; T50-N52 PolarHBondContact O-N 3.15Å; T50-Q53 PolarHBondContact O-N 3.47Å; T50-L54 WeakPolarHBondContact O-CB 3.27Å; T50-L54 VanDerWaalsContact O-CG 3.28Å; T50-L54 WeakPolarHBondContact O-CG 3.33Å; T50-L54 PolarHBondContact O-N 3.44Å; T50-N78 VanDerWaalsContact OG1-CG 3.23Å; T50-N78 PolarHBondContact OG1-ND2 2.81Å
51	H	94.3	Very high	93.2	Very high	63 Å²	63	80.4 Å²	80.4	29%	0.292	44%	0.44	S	S	.	.	H	α-helix	trans	-56.4	-48.4	174.7	-172	-83.7	0	0	0	111.9	D47 A48 V49 Q53 L54 A55 N78	D47-H51 PolarHBondContact O-N 2.91Å; A48-H51 PolarHBondContact O-N 3.15Å; V49-H51 VanDerWaalsContact C-N 3.32Å; V49-H51 PolarHBondContact O-N 3.43Å; H51-Q53 PolarHBondContact O-N 3.03Å; H51-L54 PolarHBondContact O-N 3.41Å; H51-A55 WeakPolarHBondContact O-CB 3.08Å; H51-A55 PolarHBondContact O-N 3.15Å; H51-N78 WeakPolarHBondContact CB-OD1 3.32Å
52	N	95.1	Very high	93.5	Very high	103 Å²	103	75.3 Å²	75.3	55%	0.551	41%	0.409	S	S	*	.	H	α-helix	trans	-67.4	-37	-179.6	-66.6	-15.2	0	0	0	112.3	A48 V49 T50 A55 A56	A48-N52 PolarHBondContact O-N 3.41Å; A48-N52 PolarHBondContact O-ND2 2.69Å; V49-N52 PolarHBondContact O-N 2.8Å; T50-N52 VanDerWaalsContact C-N 3.35Å; T50-N52 PolarHBondContact O-N 3.15Å; N52-A55 PolarHBondContact O-N 3.36Å; N52-A56 WeakPolarHBondContact O-CB 3.49Å; N52-A56 PolarHBondContact O-N 3.35Å
53	Q	94.9	Very high	93.7	Very high	125 Å²	125	75.9 Å²	75.9	58%	0.584	40%	0.403	S	S	*	.	H	α-helix	trans	-63.7	-42.9	174.6	-72.6	172.4	-12.7	0	0	111.8	V49 T50 H51 F57	V49-Q53 WeakPolarHBondContact O-CG 3.49Å; V49-Q53 PolarHBondContact O-N 2.97Å; T50-Q53 PolarHBondContact O-N 3.47Å; H51-Q53 PolarHBondContact O-N 3.03Å; Q53-F57 WeakPolarHBondContact O-CB 3.37Å; Q53-F57 PolarHBondContact O-N 3.07Å
54	L	95.6	Very high	93.9	Very high	27 Å²	27	76.9 Å²	76.9	14%	0.141	40%	0.404	C	S	.	.	H	α-helix	trans	-68	-39.3	177.4	-68.9	173.6	0	0	0	111.8	T50 H51 F57 G58 V74 N78 L80	T50-L54 WeakPolarHBondContact O-CB 3.27Å; T50-L54 VanDerWaalsContact O-CG 3.28Å; T50-L54 WeakPolarHBondContact O-CG 3.33Å; T50-L54 PolarHBondContact O-N 3.44Å; H51-L54 PolarHBondContact O-N 3.41Å; L54-F57 PolarHBondContact O-N 3.4Å; L54-G58 PolarHBondContact O-N 3.16Å; L54-V74 HydrophobicContact CB-CG1 4.29Å; L54-V74 HydrophobicContact CB-CG2 4.28Å; L54-N78 HydrophobicContact CD1-CB 3.95Å; L54-N78 WeakPolarHBondContact CD1-O 3.08Å; L54-L80 HydrophobicContact CB-CB 4.45Å; L54-L80 HydrophobicContact CD2-CB 4.21Å
55	A	95.4	Very high	94.1	Very high	28 Å²	28	70.9 Å²	70.9	23%	0.231	38%	0.383	C	S	.	.	H	α-helix	trans	-61.7	-49.7	175.1	0	0	0	0	0	111.1	H51 N52 F57 G58 E59 V74	H51-A55 WeakPolarHBondContact O-CB 3.08Å; H51-A55 PolarHBondContact O-N 3.15Å; N52-A55 PolarHBondContact O-N 3.36Å; A55-F57 VanDerWaalsContact C-N 3.33Å; A55-F57 PolarHBondContact O-N 2.91Å; A55-G58 WeakPolarHBondContact O-CA 3.43Å; A55-G58 PolarHBondContact O-N 3.37Å; A55-G58 VanDerWaalsContact O-N 3.11Å; A55-E59 WeakPolarHBondContact O-CG 3.34Å; A55-E59 PolarHBondContact O-N 3.43Å; A55-V74 HydrophobicContact CB-CG2 4.26Å
56	A	96.1	Very high	94.3	Very high	53 Å²	53	70.7 Å²	70.7	44%	0.438	38%	0.382	S	S	.	.	H	α-helix	trans	-62	-39.4	177.3	0	0	0	0	0	112.5	N52 G58 Y60	N52-A56 WeakPolarHBondContact O-CB 3.49Å; N52-A56 PolarHBondContact O-N 3.35Å; A56-G58 VanDerWaalsContact C-N 3.34Å; A56-Y60 WeakPolarHBondContact O-CB 3.19Å; A56-Y60 PolarHBondContact O-N 2.95Å
57	F	96.1	Very high	94.7	Very high	43 Å²	43	70.4 Å²	70.4	19%	0.189	38%	0.381	C	S	.	.	H	α-helix	trans	-67.3	-37	174.6	-177.9	-104.8	0	0	0	112	Q53 L54 A55 Y60 V61 L80 A102 F104 I137	Q53-F57 WeakPolarHBondContact O-CB 3.37Å; Q53-F57 PolarHBondContact O-N 3.07Å; L54-F57 PolarHBondContact O-N 3.4Å; A55-F57 VanDerWaalsContact C-N 3.33Å; A55-F57 PolarHBondContact O-N 2.91Å; F57-Y60 HydrophobicContact CD2-CD1 4.31Å; F57-Y60 HydrophobicContact CE2-CD1 4.3Å; F57-Y60 WeakPolarHBondContact O-CB 3.38Å; F57-Y60 PolarHBondContact O-N 2.98Å; F57-V61 HydrophobicContact CD1-CG2 4.22Å; F57-V61 HydrophobicContact CE1-CG2 3.74Å; F57-V61 HydrophobicContact CE2-CG2 4.13Å; F57-V61 HydrophobicContact CZ-CG2 3.69Å; F57-V61 VanDerWaalsContact O-CG2 3.29Å; F57-V61 WeakPolarHBondContact O-CG2 3.47Å; F57-V61 PolarHBondContact O-N 3.44Å; F57-L80 HydrophobicContact CD1-CD2 3.6Å; F57-L80 HydrophobicContact CE1-CD2 4.16Å; F57-A102 HydrophobicContact CE2-CB 4.27Å; F57-A102 HydrophobicContact CZ-CB 3.72Å; F57-F104 AromaticContact CE1-CE2 3.81Å; F57-F104 HydrophobicContact CE1-CE2 3.81Å; F57-F104 AromaticContact CE1-CZ 3.99Å; F57-F104 HydrophobicContact CE1-CZ 3.99Å; F57-F104 AromaticContact CZ-CE2 3.8Å; F57-F104 HydrophobicContact CZ-CE2 3.8Å; F57-F104 HydrophobicContact CZ-CZ 4.29Å; F57-I137 HydrophobicContact CE1-CD1 4.23Å
58	G	95.3	Very high	94.9	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-61.2	-48.3	174.2	0	0	0	0	0	112.9	L54 A55 A56 Y60 V61 A62	L54-G58 PolarHBondContact O-N 3.16Å; A55-G58 WeakPolarHBondContact O-CA 3.43Å; A55-G58 PolarHBondContact O-N 3.37Å; A55-G58 VanDerWaalsContact O-N 3.11Å; A56-G58 VanDerWaalsContact C-N 3.34Å; G58-Y60 VanDerWaalsContact C-N 3.34Å; G58-Y60 PolarHBondContact O-N 3.19Å; G58-V61 PolarHBondContact O-N 3.38Å; G58-A62 PolarHBondContact O-N 2.91Å
59	E	95.9	Very high	95.1	Very high	127 Å²	127	66.9 Å²	66.9	59%	0.593	35%	0.349	S	S	*	.	H	α-helix	trans	-58.8	-45.6	173.6	-71	173.2	-178	0	0	111.2	A55 V61 A62 E63	A55-E59 WeakPolarHBondContact O-CG 3.34Å; A55-E59 PolarHBondContact O-N 3.43Å; E59-V61 VanDerWaalsContact C-N 3.34Å; E59-V61 PolarHBondContact O-N 2.89Å; E59-A62 WeakPolarHBondContact O-CB 3.37Å; E59-A62 PolarHBondContact O-N 3.27Å; E59-A62 VanDerWaalsContact O-N 3.16Å; E59-E63 WeakPolarHBondContact O-CG 3.15Å; E59-E63 PolarHBondContact O-N 2.96Å
60	Y	96.6	Very high	95.2	Very high	63 Å²	63	67 Å²	67	25%	0.247	34%	0.344	C	S	.	.	H	α-helix	trans	-57	-45	175.9	174.4	-106	0	0	0	112.7	A56 F57 G58 E63 M64 H99 N101	A56-Y60 WeakPolarHBondContact O-CB 3.19Å; A56-Y60 PolarHBondContact O-N 2.95Å; F57-Y60 HydrophobicContact CD2-CD1 4.31Å; F57-Y60 HydrophobicContact CE2-CD1 4.3Å; F57-Y60 WeakPolarHBondContact O-CB 3.38Å; F57-Y60 PolarHBondContact O-N 2.98Å; G58-Y60 VanDerWaalsContact C-N 3.34Å; G58-Y60 PolarHBondContact O-N 3.19Å; Y60-E63 PolarHBondContact O-N 3.49Å; Y60-M64 HydrophobicContact CD2-CG 4.36Å; Y60-M64 HydrophobicContact CE1-CG 4.13Å; Y60-M64 HydrophobicContact CE2-CE 4.06Å; Y60-M64 HydrophobicContact CE2-CG 3.91Å; Y60-M64 HydrophobicContact CE2-SD 4.08Å; Y60-M64 VanDerWaalsContact O-CG 3.27Å; Y60-M64 WeakPolarHBondContact O-CG 3.26Å; Y60-M64 PolarHBondContact O-N 3.37Å; Y60-M64 VanDerWaalsContact O-N 3.07Å; Y60-H99 AromaticContact CE1-CD2 3.96Å; Y60-H99 AromaticContact CE1-NE2 3.49Å; Y60-H99 WeakPolarHBondContact CE1-NE2 3.29Å; Y60-H99 AromaticContact CZ-NE2 3.55Å; Y60-H99 PolarHBondContact OH-CE1 3.1Å; Y60-H99 PolarHBondContact OH-NE2 2.84Å; Y60-N101 HydrophobicContact CE1-CB 4.29Å; Y60-N101 PolarHBondContact OH-ND2 3.19Å
61	V	95.1	Very high	95.3	Very high	1 Å²	1	69.3 Å²	69.3	1%	0.006	35%	0.35	C	S	.	.	H	α-helix	trans	-66.1	-40.1	178.2	173.3	0	0	0	0	110.8	F57 G58 E59 M64 M65 I69 F95	F57-V61 HydrophobicContact CD1-CG2 4.22Å; F57-V61 HydrophobicContact CE1-CG2 3.74Å; F57-V61 HydrophobicContact CE2-CG2 4.13Å; F57-V61 HydrophobicContact CZ-CG2 3.69Å; F57-V61 VanDerWaalsContact O-CG2 3.29Å; F57-V61 WeakPolarHBondContact O-CG2 3.47Å; F57-V61 PolarHBondContact O-N 3.44Å; G58-V61 PolarHBondContact O-N 3.38Å; E59-V61 VanDerWaalsContact C-N 3.34Å; E59-V61 PolarHBondContact O-N 2.89Å; V61-M64 PolarHBondContact O-N 2.99Å; V61-M65 PolarHBondContact O-N 2.92Å; V61-M65 VanDerWaalsContact O-N 3.15Å; V61-I69 HydrophobicContact CG1-CD1 3.59Å; V61-I69 WeakPolarHBondContact O-CD1 3.46Å; V61-F95 HydrophobicContact CG1-CE1 4.4Å; V61-F95 HydrophobicContact CG2-CE1 4.33Å
62	A	95.4	Very high	95.4	Very high	32 Å²	32	68.3 Å²	68.3	26%	0.264	35%	0.349	S	S	.	.	H	α-helix	trans	-61.5	-41.6	175.6	0	0	0	0	0	112.6	G58 E59 M65 P66 I69 V72	G58-A62 PolarHBondContact O-N 2.91Å; E59-A62 WeakPolarHBondContact O-CB 3.37Å; E59-A62 PolarHBondContact O-N 3.27Å; E59-A62 VanDerWaalsContact O-N 3.16Å; A62-M65 CarbonylContact O-C 3.44Å; A62-P66 WeakPolarHBondContact O-CA 3.5Å; A62-I69 HydrophobicContact CB-CG2 4.27Å; A62-V72 HydrophobicContact CB-CG2 4.06Å
63	E	95.4	Very high	95.4	Very high	142 Å²	142	66.5 Å²	66.5	66%	0.664	34%	0.337	S	S	*	.	H	α-helix	trans	-68.5	-35.8	177.1	-72.4	-179.3	176.4	0	0	113	E59 Y60 P66	E59-E63 WeakPolarHBondContact O-CG 3.15Å; E59-E63 PolarHBondContact O-N 2.96Å; Y60-E63 PolarHBondContact O-N 3.49Å; E63-P66 WeakPolarHBondContact O-CD 3.49Å
64	M	93.9	Very high	95.4	Very high	92 Å²	92	62.2 Å²	62.2	45%	0.453	32%	0.319	S	S	.	.	H	α-helix	trans	-71.6	-34.5	179	-69.5	-64.5	103.7	0	0	112.6	Y60 V61 F95	Y60-M64 HydrophobicContact CD2-CG 4.36Å; Y60-M64 HydrophobicContact CE1-CG 4.13Å; Y60-M64 HydrophobicContact CE2-CE 4.06Å; Y60-M64 HydrophobicContact CE2-CG 3.91Å; Y60-M64 HydrophobicContact CE2-SD 4.08Å; Y60-M64 VanDerWaalsContact O-CG 3.27Å; Y60-M64 WeakPolarHBondContact O-CG 3.26Å; Y60-M64 PolarHBondContact O-N 3.37Å; Y60-M64 VanDerWaalsContact O-N 3.07Å; V61-M64 PolarHBondContact O-N 2.99Å; M64-F95 HydrophobicContact CB-CE2 4.25Å; M64-F95 HydrophobicContact CB-CZ 3.92Å; M64-F95 HydrophobicContact CG-CZ 4.11Å
65	M	93.3	Very high	95.3	Very high	24 Å²	24	62.6 Å²	62.6	12%	0.118	32%	0.323	C	S	.	.			trans	-132.8	64.3	-177.8	-65.9	-171.5	-62.1	0	0	113	V61 A62 K67 Y68 I69 V92 F95	V61-M65 PolarHBondContact O-N 2.92Å; V61-M65 VanDerWaalsContact O-N 3.15Å; A62-M65 CarbonylContact O-C 3.44Å; M65-K67 PolarHBondContact O-N 3.1Å; M65-K67 VanDerWaalsContact O-N 3.15Å; M65-Y68 PolarHBondContact O-N 3.41Å; M65-I69 HydrophobicContact CB-CD1 3.92Å; M65-I69 HydrophobicContact CE-CD1 4.4Å; M65-I69 WeakPolarHBondContact O-CD1 3.42Å; M65-I69 WeakPolarHBondContact O-CG1 3.34Å; M65-I69 PolarHBondContact O-N 3.39Å; M65-V92 HydrophobicContact CE-CB 4.1Å; M65-V92 HydrophobicContact CE-CG1 3.96Å; M65-V92 HydrophobicContact CE-CG2 3.87Å; M65-V92 HydrophobicContact SD-CG2 4.21Å; M65-F95 HydrophobicContact CE-CB 3.71Å; M65-F95 HydrophobicContact CE-CD1 3.25Å; M65-F95 HydrophobicContact CE-CD2 4.47Å; M65-F95 HydrophobicContact CE-CE1 3.95Å; M65-F95 HydrophobicContact CE-CG 3.56Å; M65-F95 HydrophobicContact SD-CB 3.64Å; M65-F95 HydrophobicContact SD-CD1 4.1Å; M65-F95 HydrophobicContact SD-CD2 4.32Å; M65-F95 HydrophobicContact SD-CG 3.76Å
66	P	94.4	Very high	95	Very high	98 Å²	98	64.1 Å²	64.1	64%	0.636	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-17	-176.8	29.4	-36.5	0	0	0	113	A62 E63	A62-P66 WeakPolarHBondContact O-CA 3.5Å; E63-P66 WeakPolarHBondContact O-CD 3.49Å
67	K	96.1	Very high	94.8	Very high	161 Å²	161	68.3 Å²	68.3	70%	0.7	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-37.4	-179.4	-176.3	-178.3	174.1	-161.8	0	112.8	M65	M65-K67 PolarHBondContact O-N 3.1Å; M65-K67 VanDerWaalsContact O-N 3.15Å
68	Y	95.6	Very high	94.5	Very high	49 Å²	49	67.9 Å²	67.9	19%	0.192	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-26.4	-170	-58.6	-62	0	0	0	113.1	M65 I84 H85 P91 V92	M65-Y68 PolarHBondContact O-N 3.41Å; Y68-I84 CarbonylContact O-C 3.31Å; Y68-I84 VanDerWaalsContact O-CA 3.28Å; Y68-I84 WeakPolarHBondContact O-CA 3.48Å; Y68-H85 PolarHBondContact O-N 2.97Å; Y68-P91 HydrophobicContact CD2-CB 4.3Å; Y68-P91 HydrophobicContact CE2-CB 3.84Å; Y68-P91 HydrophobicContact CE2-CG 4.11Å; Y68-V92 HydrophobicContact CD2-CG2 4.32Å; Y68-V92 HydrophobicContact CG-CG2 4.36Å
69	I	95.8	Very high	94.5	Very high	19 Å²	19	72 Å²	72	10%	0.097	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	123.4	-177.1	-62.6	164.3	0	0	0	108.9	V61 A62 M65 V72 V82 I84	V61-I69 HydrophobicContact CG1-CD1 3.59Å; V61-I69 WeakPolarHBondContact O-CD1 3.46Å; A62-I69 HydrophobicContact CB-CG2 4.27Å; M65-I69 HydrophobicContact CB-CD1 3.92Å; M65-I69 HydrophobicContact CE-CD1 4.4Å; M65-I69 WeakPolarHBondContact O-CD1 3.42Å; M65-I69 WeakPolarHBondContact O-CG1 3.34Å; M65-I69 PolarHBondContact O-N 3.39Å; I69-V72 HydrophobicContact CG2-CG2 3.72Å; I69-V82 HydrophobicContact CD1-CG1 4.36Å; I69-V82 HydrophobicContact CG1-CG1 4Å; I69-V82 HydrophobicContact CG2-CG1 3.97Å; I69-I84 HydrophobicContact CG1-CG2 4.08Å
70	Q	95.4	Very high	94.6	Very high	105 Å²	105	66.1 Å²	66.1	49%	0.491	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-46.2	179.6	-64.1	178.7	-7.3	0	0	110.9	M83 Y142	Q70-M83 PolarHBondContact N-O 3.34Å; Q70-Y142 PolarHBondContact NE2-OH 3.47Å
71	Q	95.3	Very high	94.6	Very high	100 Å²	100	63.5 Å²	63.5	47%	0.467	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	144.9	-177.5	-175.8	175.6	-4.7	0	0	110.1	M83	Q71-M83 HydrophobicContact CB-CB 4.26Å; Q71-M83 HydrophobicContact CB-CG 4.4Å; Q71-M83 HydrophobicContact CB-SD 4.02Å; Q71-M83 HydrophobicContact CG-CE 4.46Å; Q71-M83 HydrophobicContact CG-SD 4.44Å; Q71-M83 PolarHBondContact N-O 2.93Å; Q71-M83 PolarHBondContact O-N 2.94Å
72	V	96.5	Very high	94.7	Very high	42 Å²	42	63.5 Å²	63.5	26%	0.255	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.9	169.3	-176.7	0	0	0	0	108.2	A62 I69 L80 V82	A62-V72 HydrophobicContact CB-CG2 4.06Å; I69-V72 HydrophobicContact CG2-CG2 3.72Å; V72-L80 HydrophobicContact CG1-CD1 3.5Å; V72-L80 VanDerWaalsContact CG1-CD1 3.5Å; V72-V82 HydrophobicContact CG1-CG2 4.41Å; V72-V82 HydrophobicContact CG2-CG1 4.33Å; V72-V82 HydrophobicContact CG2-CG2 4.46Å
73	Q	95.5	Very high	94.7	Very high	65 Å²	65	64 Å²	64	30%	0.304	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.9	177.3	65.1	-177.3	9.9	0	0	111	E81 M83	Q73-E81 HydrophobicContact CG-CB 3.79Å; Q73-E81 HydrophobicContact CG-CG 4.42Å; Q73-E81 PolarHBondContact N-O 3.46Å; Q73-E81 PolarHBondContact NE2-OE2 3.2Å; Q73-E81 PolarHBondContact O-N 2.97Å; Q73-M83 HydrophobicContact CG-CE 4.02Å; Q73-M83 VanDerWaalsContact OE1-CE 3.28Å
74	V	95.9	Very high	94.8	Very high	35 Å²	35	57.2 Å²	57.2	21%	0.212	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125	172.2	-175.7	0	0	0	0	107.3	L54 A55 E79 L80	L54-V74 HydrophobicContact CB-CG1 4.29Å; L54-V74 HydrophobicContact CB-CG2 4.28Å; A55-V74 HydrophobicContact CB-CG2 4.26Å; V74-E79 WeakPolarHBondContact CA-O 3.37Å; V74-L80 HydrophobicContact CG2-CD1 3.83Å
75	T	93.3	Very high	94.9	Very high	35 Å²	35	55.9 Å²	55.9	22%	0.215	28%	0.276	C	S	.	.			trans	-73.2	159.5	177.4	67.7	0	0	0	0	110.5	Y77 N78 E79 E81	T75-Y77 PolarHBondContact O-N 3.45Å; T75-N78 PolarHBondContact O-N 3.38Å; T75-N78 VanDerWaalsContact O-N 3.08Å; T75-E79 HydrophobicContact CG2-CB 4.3Å; T75-E79 PolarHBondContact N-O 2.93Å; T75-E79 WeakPolarHBondContact OG1-CB 3.43Å; T75-E79 PolarHBondContact OG1-N 3.11Å; T75-E79 VanDerWaalsContact OG1-N 3.1Å; T75-E79 PolarHBondContact OG1-O 3.4Å; T75-E81 HydrophobicContact CG2-CG 4.34Å
76	C	88.8	Confident	94.9	Very high	61 Å²	61	55.5 Å²	55.5	41%	0.412	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-12.9	177.4	57	0	0	0	0	114.2
77	Y	90.6	Very high	94.9	Very high	140 Å²	140	56.1 Å²	56.1	55%	0.549	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	23.3	178.5	-57.8	-65.3	0	0	0	113.7	T75	T75-Y77 PolarHBondContact O-N 3.45Å
78	N	91.5	Very high	94.8	Very high	34 Å²	34	48.5 Å²	48.5	18%	0.182	24%	0.24	C	C	.	.	S	Bend	trans	64.4	43.3	174.8	-51.5	-37	0	0	0	113.6	T50 H51 L54 T75	T50-N78 VanDerWaalsContact OG1-CG 3.23Å; T50-N78 PolarHBondContact OG1-ND2 2.81Å; H51-N78 WeakPolarHBondContact CB-OD1 3.32Å; L54-N78 HydrophobicContact CD1-CB 3.95Å; L54-N78 WeakPolarHBondContact CD1-O 3.08Å; T75-N78 PolarHBondContact O-N 3.38Å; T75-N78 VanDerWaalsContact O-N 3.08Å
79	E	94.9	Very high	94.8	Very high	88 Å²	88	46.1 Å²	46.1	41%	0.411	23%	0.231	S	C	.	.			trans	-109.7	127.4	167.5	-53.2	-170.8	160.1	0	0	109.3	V74 T75 R138	V74-E79 WeakPolarHBondContact CA-O 3.37Å; T75-E79 HydrophobicContact CG2-CB 4.3Å; T75-E79 PolarHBondContact N-O 2.93Å; T75-E79 WeakPolarHBondContact OG1-CB 3.43Å; T75-E79 PolarHBondContact OG1-N 3.11Å; T75-E79 VanDerWaalsContact OG1-N 3.1Å; T75-E79 PolarHBondContact OG1-O 3.4Å; E79-R138 IonicContact OE2-CZ 3.25Å; E79-R138 IonicContact OE2-NH1 3.06Å; E79-R138 PolarHBondContact OE2-NH1 3.42Å; E79-R138 IonicContact OE2-NH2 3.54Å; E79-R138 PolarHBondContact OE2-NH2 2.84Å
80	L	96.6	Very high	94.7	Very high	2 Å²	2	47 Å²	47	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	124.6	175.1	178.3	66.3	0	0	0	109.7	L54 F57 V72 V74 V82 I137 R138	L54-L80 HydrophobicContact CB-CB 4.45Å; L54-L80 HydrophobicContact CD2-CB 4.21Å; F57-L80 HydrophobicContact CD1-CD2 3.6Å; F57-L80 HydrophobicContact CE1-CD2 4.16Å; V72-L80 HydrophobicContact CG1-CD1 3.5Å; V72-L80 VanDerWaalsContact CG1-CD1 3.5Å; V74-L80 HydrophobicContact CG2-CD1 3.83Å; L80-V82 HydrophobicContact CG-CG2 4.35Å; L80-I137 HydrophobicContact CB-CG1 4.43Å; L80-I137 HydrophobicContact CD2-CD1 3.76Å; L80-I137 HydrophobicContact CD2-CG1 3.99Å; L80-I137 HydrophobicContact CG-CD1 4.33Å; L80-I137 HydrophobicContact CG-CG1 4.14Å; L80-R138 PolarHBondContact O-N 2.77Å
81	E	97.1	Very high	94.8	Very high	8 Å²	8	44.4 Å²	44.4	4%	0.037	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.1	173.3	-47.6	-167.1	144.5	0	0	110.7	Q73 T75 R138 K140	Q73-E81 HydrophobicContact CG-CB 3.79Å; Q73-E81 HydrophobicContact CG-CG 4.42Å; Q73-E81 PolarHBondContact N-O 3.46Å; Q73-E81 PolarHBondContact NE2-OE2 3.2Å; Q73-E81 PolarHBondContact O-N 2.97Å; T75-E81 HydrophobicContact CG2-CG 4.34Å; E81-R138 CarbonylContact C-O 3.45Å; E81-R138 VanDerWaalsContact CA-O 3.27Å; E81-R138 WeakPolarHBondContact CA-O 3.48Å; E81-R138 HydrophobicContact CG-CB 4.17Å; E81-R138 WeakPolarHBondContact OE1-CD 3.23Å; E81-R138 IonicContact OE1-CZ 2.95Å; E81-R138 IonicContact OE1-NE 3.79Å; E81-R138 IonicContact OE1-NH1 3.53Å; E81-R138 PolarHBondContact OE1-NH1 2.82Å; E81-K140 VanDerWaalsContact OE1-CE 3.26Å; E81-K140 WeakPolarHBondContact OE1-CE 3.43Å; E81-K140 IonicContact OE1-NZ 3.65Å; E81-K140 PolarHBondContact OE1-NZ 3.05Å; E81-K140 VanDerWaalsContact OE2-CE 3.25Å; E81-K140 WeakPolarHBondContact OE2-CE 3.49Å; E81-K140 IonicContact OE2-NZ 3.45Å; E81-K140 PolarHBondContact OE2-NZ 3.34Å
82	V	96.8	Very high	94.8	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	114.9	177.7	-176.1	0	0	0	0	108.1	I69 V72 L80 I84 I137 R138 V139 K140	I69-V82 HydrophobicContact CD1-CG1 4.36Å; I69-V82 HydrophobicContact CG1-CG1 4Å; I69-V82 HydrophobicContact CG2-CG1 3.97Å; V72-V82 HydrophobicContact CG1-CG2 4.41Å; V72-V82 HydrophobicContact CG2-CG1 4.33Å; V72-V82 HydrophobicContact CG2-CG2 4.46Å; L80-V82 HydrophobicContact CG-CG2 4.35Å; V82-I84 HydrophobicContact CG1-CG2 3.87Å; V82-I137 HydrophobicContact CG2-CD1 3.81Å; V82-I137 HydrophobicContact CG2-CG1 4.27Å; V82-R138 PolarHBondContact N-O 2.86Å; V82-V139 CarbonylContact O-C 3.45Å; V82-V139 WeakPolarHBondContact O-CA 3.14Å; V82-K140 PolarHBondContact O-N 3.3Å
83	M	96.6	Very high	94.8	Very high	42 Å²	42	37.6 Å²	37.6	21%	0.207	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	125.5	175.7	-56.5	-177.5	-159	0	0	109.4	Q70 Q71 Q73	Q70-M83 PolarHBondContact N-O 3.34Å; Q71-M83 HydrophobicContact CB-CB 4.26Å; Q71-M83 HydrophobicContact CB-CG 4.4Å; Q71-M83 HydrophobicContact CB-SD 4.02Å; Q71-M83 HydrophobicContact CG-CE 4.46Å; Q71-M83 HydrophobicContact CG-SD 4.44Å; Q71-M83 PolarHBondContact N-O 2.93Å; Q71-M83 PolarHBondContact O-N 2.94Å; Q73-M83 HydrophobicContact CG-CE 4.02Å; Q73-M83 VanDerWaalsContact OE1-CE 3.28Å
84	I	97	Very high	94.8	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	156.4	-175.2	57.5	155	0	0	0	111.5	Y68 I69 V82 V89 V92 V139 K140 T141	Y68-I84 CarbonylContact O-C 3.31Å; Y68-I84 VanDerWaalsContact O-CA 3.28Å; Y68-I84 WeakPolarHBondContact O-CA 3.48Å; I69-I84 HydrophobicContact CG1-CG2 4.08Å; V82-I84 HydrophobicContact CG1-CG2 3.87Å; I84-V89 HydrophobicContact CD1-CG2 4.28Å; I84-V92 HydrophobicContact CD1-CB 4.34Å; I84-V92 HydrophobicContact CG2-CG1 4.18Å; I84-V92 HydrophobicContact CG2-CG2 4.15Å; I84-V139 HydrophobicContact CD1-CG1 3.47Å; I84-V139 VanDerWaalsContact CD1-CG1 3.47Å; I84-V139 HydrophobicContact CG1-CG1 3.58Å; I84-V139 HydrophobicContact CG2-CG1 4.14Å; I84-K140 VanDerWaalsContact CG1-O 3.25Å; I84-K140 WeakPolarHBondContact CG1-O 3.45Å; I84-K140 PolarHBondContact N-O 3.05Å; I84-T141 HydrophobicContact CD1-CG2 3.35Å; I84-T141 HydrophobicContact CG1-CG2 3.29Å
85	H	96.2	Very high	94.8	Very high	63 Å²	63	37.1 Å²	37.1	29%	0.292	19%	0.193	S	C	.	.			trans	-69.6	143.1	168.9	-167.7	-86.7	0	0	0	110.9	Y68 D87 G88 Y142	Y68-H85 PolarHBondContact O-N 2.97Å; H85-D87 IonicContact CE1-OD1 3.68Å; H85-D87 PolarHBondContact CE1-OD1 3.25Å; H85-D87 IonicContact CE1-OD2 2.84Å; H85-D87 PolarHBondContact CE1-OD2 3.41Å; H85-D87 VanDerWaalsContact CE1-OD2 3.25Å; H85-D87 PolarHBondContact ND1-N 3.47Å; H85-D87 IonicContact ND1-OD1 2.71Å; H85-D87 IonicContact ND1-OD2 3.65Å; H85-D87 PolarHBondContact O-N 3.3Å; H85-G88 WeakPolarHBondContact O-CA 3.33Å; H85-G88 PolarHBondContact O-N 2.95Å; H85-Y142 PolarHBondContact CD2-OH 3.5Å; H85-Y142 VanDerWaalsContact CD2-OH 3.25Å
86	P	93.8	Very high	94.9	Very high	16 Å²	16	35.5 Å²	35.5	10%	0.104	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-56.4	-40.3	-179.1	19.2	-32.9	0	0	0	114.2	G88 V89 Y142	P86-G88 PolarHBondContact O-N 3.03Å; P86-V89 WeakPolarHBondContact O-CG2 3.49Å; P86-V89 PolarHBondContact O-N 3.28Å; P86-Y142 HydrophobicContact CG-CD2 4.43Å; P86-Y142 HydrophobicContact CG-CE2 4.02Å
87	D	94.3	Very high	95.3	Very high	112 Å²	112	35.5 Å²	35.5	60%	0.599	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-60.6	-17.6	175.6	-53.6	-2	0	0	0	113.8	H85	H85-D87 IonicContact CE1-OD1 3.68Å; H85-D87 PolarHBondContact CE1-OD1 3.25Å; H85-D87 IonicContact CE1-OD2 2.84Å; H85-D87 PolarHBondContact CE1-OD2 3.41Å; H85-D87 VanDerWaalsContact CE1-OD2 3.25Å; H85-D87 PolarHBondContact ND1-N 3.47Å; H85-D87 IonicContact ND1-OD1 2.71Å; H85-D87 IonicContact ND1-OD2 3.65Å; H85-D87 PolarHBondContact O-N 3.3Å
88	G	94.2	Very high	95.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-92.9	2.3	-176.9	0	0	0	0	0	114.8	H85 P86 P91 V92	H85-G88 WeakPolarHBondContact O-CA 3.33Å; H85-G88 PolarHBondContact O-N 2.95Å; P86-G88 PolarHBondContact O-N 3.03Å; G88-P91 WeakPolarHBondContact O-CD 3.22Å; G88-V92 VanDerWaalsContact O-CB 3.29Å; G88-V92 WeakPolarHBondContact O-CB 3.46Å; G88-V92 WeakPolarHBondContact O-CG2 3.45Å; G88-V92 PolarHBondContact O-N 2.52Å
89	V	94.3	Very high	95.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-54.8	-59	-175.4	169.5	0	0	0	0	111.7	I84 P86 V92 L93 Y126 T141 V149	I84-V89 HydrophobicContact CD1-CG2 4.28Å; P86-V89 WeakPolarHBondContact O-CG2 3.49Å; P86-V89 PolarHBondContact O-N 3.28Å; V89-V92 PolarHBondContact O-N 3.34Å; V89-L93 HydrophobicContact CG1-CD1 3.71Å; V89-L93 HydrophobicContact CG1-CG 4.49Å; V89-L93 WeakPolarHBondContact O-CB 3.48Å; V89-L93 VanDerWaalsContact O-CG 3.24Å; V89-L93 WeakPolarHBondContact O-CG 3.29Å; V89-L93 PolarHBondContact O-N 2.92Å; V89-Y126 HydrophobicContact CG1-CE1 4.45Å; V89-T141 HydrophobicContact CG2-CG2 3.6Å; V89-V149 HydrophobicContact CG2-CG1 3.96Å
90	V	95.4	Very high	95.7	Very high	38 Å²	38	34.9 Å²	34.9	23%	0.23	19%	0.187	C	C	.	.	H	α-helix	trans	-64.8	-47.7	-174.2	179.3	0	0	0	0	111.9	V92 T94 D150 V155	V90-V92 PolarHBondContact O-N 3.47Å; V90-T94 VanDerWaalsContact O-CB 3.32Å; V90-T94 WeakPolarHBondContact O-CB 3.32Å; V90-T94 PolarHBondContact O-N 3.28Å; V90-T94 PolarHBondContact O-OG1 3.1Å; V90-D150 HydrophobicContact CG2-CB 3.89Å; V90-V155 HydrophobicContact CG1-CG2 4.05Å
91	P	96	Very high	95.5	Very high	49 Å²	49	38.6 Å²	38.6	32%	0.318	21%	0.207	S	C	.	.	H	α-helix	trans	-59.3	-45.4	176.9	-25.2	34.4	0	0	0	113.5	Y68 G88 T94 F95	Y68-P91 HydrophobicContact CD2-CB 4.3Å; Y68-P91 HydrophobicContact CE2-CB 3.84Å; Y68-P91 HydrophobicContact CE2-CG 4.11Å; G88-P91 WeakPolarHBondContact O-CD 3.22Å; P91-T94 PolarHBondContact O-N 2.89Å; P91-F95 WeakPolarHBondContact O-CB 3.36Å; P91-F95 PolarHBondContact O-N 3.43Å
92	V	96.1	Very high	95.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-67.7	-45.5	-177	172.9	0	0	0	0	110.9	M65 Y68 I84 G88 V89 V90 T94 F95 L96 V139	M65-V92 HydrophobicContact CE-CB 4.1Å; M65-V92 HydrophobicContact CE-CG1 3.96Å; M65-V92 HydrophobicContact CE-CG2 3.87Å; M65-V92 HydrophobicContact SD-CG2 4.21Å; Y68-V92 HydrophobicContact CD2-CG2 4.32Å; Y68-V92 HydrophobicContact CG-CG2 4.36Å; I84-V92 HydrophobicContact CD1-CB 4.34Å; I84-V92 HydrophobicContact CG2-CG1 4.18Å; I84-V92 HydrophobicContact CG2-CG2 4.15Å; G88-V92 VanDerWaalsContact O-CB 3.29Å; G88-V92 WeakPolarHBondContact O-CB 3.46Å; G88-V92 WeakPolarHBondContact O-CG2 3.45Å; G88-V92 PolarHBondContact O-N 2.52Å; V89-V92 PolarHBondContact O-N 3.34Å; V90-V92 PolarHBondContact O-N 3.47Å; V92-T94 VanDerWaalsContact C-N 3.31Å; V92-T94 PolarHBondContact O-N 3.26Å; V92-F95 PolarHBondContact O-N 2.86Å; V92-L96 HydrophobicContact CG1-CD1 3.94Å; V92-L96 HydrophobicContact CG1-CG 4.33Å; V92-L96 WeakPolarHBondContact O-CB 3.28Å; V92-L96 WeakPolarHBondContact O-CG 3.22Å; V92-L96 PolarHBondContact O-N 3.14Å; V92-V139 HydrophobicContact CG1-CG1 4.47Å
93	L	95.7	Very high	95	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.3	-37.8	177.8	-67.4	177	0	0	0	111.7	V89 L96 K97 Y126 L128 V155	V89-L93 HydrophobicContact CG1-CD1 3.71Å; V89-L93 HydrophobicContact CG1-CG 4.49Å; V89-L93 WeakPolarHBondContact O-CB 3.48Å; V89-L93 VanDerWaalsContact O-CG 3.24Å; V89-L93 WeakPolarHBondContact O-CG 3.29Å; V89-L93 PolarHBondContact O-N 2.92Å; L93-L96 PolarHBondContact O-N 2.98Å; L93-K97 WeakPolarHBondContact O-CB 3.24Å; L93-K97 PolarHBondContact O-N 2.91Å; L93-Y126 HydrophobicContact CD1-CD1 3.78Å; L93-Y126 HydrophobicContact CD1-CE1 3.78Å; L93-Y126 HydrophobicContact CD2-CD1 4.2Å; L93-Y126 HydrophobicContact CD2-CG 4.35Å; L93-L128 HydrophobicContact CD2-CD1 3.81Å; L93-V155 HydrophobicContact CB-CG1 4.09Å; L93-V155 HydrophobicContact CB-CG2 4.44Å
94	T	96.1	Very high	95	Very high	49 Å²	49	38.6 Å²	38.6	30%	0.301	21%	0.206	S	C	.	.	H	α-helix	trans	-63.1	-46.3	175.5	-55.7	0	0	0	0	110.9	V90 P91 V92 L96 K97 D98 V155	V90-T94 VanDerWaalsContact O-CB 3.32Å; V90-T94 WeakPolarHBondContact O-CB 3.32Å; V90-T94 PolarHBondContact O-N 3.28Å; V90-T94 PolarHBondContact O-OG1 3.1Å; P91-T94 PolarHBondContact O-N 2.89Å; V92-T94 VanDerWaalsContact C-N 3.31Å; V92-T94 PolarHBondContact O-N 3.26Å; T94-L96 PolarHBondContact O-N 3.27Å; T94-K97 PolarHBondContact O-N 3.1Å; T94-K97 VanDerWaalsContact O-N 3.16Å; T94-D98 WeakPolarHBondContact CG2-OD2 3.39Å; T94-D98 WeakPolarHBondContact O-CB 3.38Å; T94-D98 PolarHBondContact O-N 2.7Å; T94-V155 WeakPolarHBondContact OG1-CG2 3.5Å
95	F	96.3	Very high	94.8	Very high	40 Å²	40	46.8 Å²	46.8	18%	0.175	24%	0.237	C	C	.	.	H	α-helix	trans	-59	-47.3	175.1	172.1	-94.8	0	0	0	111.9	V61 M64 M65 P91 V92 K97 D98 H99	V61-F95 HydrophobicContact CG1-CE1 4.4Å; V61-F95 HydrophobicContact CG2-CE1 4.33Å; M64-F95 HydrophobicContact CB-CE2 4.25Å; M64-F95 HydrophobicContact CB-CZ 3.92Å; M64-F95 HydrophobicContact CG-CZ 4.11Å; M65-F95 HydrophobicContact CE-CB 3.71Å; M65-F95 HydrophobicContact CE-CD1 3.25Å; M65-F95 HydrophobicContact CE-CD2 4.47Å; M65-F95 HydrophobicContact CE-CE1 3.95Å; M65-F95 HydrophobicContact CE-CG 3.56Å; M65-F95 HydrophobicContact SD-CB 3.64Å; M65-F95 HydrophobicContact SD-CD1 4.1Å; M65-F95 HydrophobicContact SD-CD2 4.32Å; M65-F95 HydrophobicContact SD-CG 3.76Å; P91-F95 WeakPolarHBondContact O-CB 3.36Å; P91-F95 PolarHBondContact O-N 3.43Å; V92-F95 PolarHBondContact O-N 2.86Å; F95-K97 PolarHBondContact O-N 3.46Å; F95-D98 PolarHBondContact O-N 2.74Å; F95-H99 HydrophobicContact CD2-CB 4.08Å; F95-H99 HydrophobicContact CE2-CB 3.9Å; F95-H99 AromaticContact CE2-CD2 3.66Å; F95-H99 AromaticContact CE2-CG 3.7Å; F95-H99 HydrophobicContact CG-CB 4.48Å; F95-H99 HydrophobicContact CZ-CB 4.16Å; F95-H99 AromaticContact CZ-CD2 3.37Å; F95-H99 WeakPolarHBondContact CZ-CD2 3.17Å; F95-H99 AromaticContact CZ-CG 3.86Å; F95-H99 AromaticContact CZ-NE2 3.97Å; F95-H99 WeakPolarHBondContact O-CB 3.47Å; F95-H99 PolarHBondContact O-N 3.17Å
96	L	95.8	Very high	94.7	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-66.4	-18.4	179.1	-71	176.6	0	0	0	113.5	V92 L93 T94 A102 F104 L128 I137 V139	V92-L96 HydrophobicContact CG1-CD1 3.94Å; V92-L96 HydrophobicContact CG1-CG 4.33Å; V92-L96 WeakPolarHBondContact O-CB 3.28Å; V92-L96 WeakPolarHBondContact O-CG 3.22Å; V92-L96 PolarHBondContact O-N 3.14Å; L93-L96 PolarHBondContact O-N 2.98Å; T94-L96 PolarHBondContact O-N 3.27Å; L96-A102 CarbonylContact C-O 3.56Å; L96-A102 VanDerWaalsContact C-O 3.22Å; L96-A102 HydrophobicContact CD2-CB 4.07Å; L96-A102 CarbonylContact O-C 3.53Å; L96-A102 VanDerWaalsContact O-C 3.31Å; L96-F104 HydrophobicContact CB-CD2 4.13Å; L96-F104 HydrophobicContact CD2-CD2 4.02Å; L96-F104 HydrophobicContact CD2-CE2 4.13Å; L96-F104 WeakPolarHBondContact O-CA 3.41Å; L96-F104 WeakPolarHBondContact O-CB 3.06Å; L96-F104 WeakPolarHBondContact O-CD2 3.27Å; L96-F104 PolarHBondContact O-N 2.85Å; L96-L128 HydrophobicContact CB-CD1 4.32Å; L96-L128 HydrophobicContact CD1-CD1 4.03Å; L96-I137 HydrophobicContact CD1-CD1 4.4Å; L96-I137 HydrophobicContact CD2-CD1 4.1Å; L96-V139 HydrophobicContact CD1-CG2 3.44Å; L96-V139 VanDerWaalsContact CD1-CG2 3.44Å
97	K	95.4	Very high	94.6	Very high	62 Å²	62	46.8 Å²	46.8	27%	0.27	24%	0.238	S	C	.	.	H	α-helix	trans	-89.3	-44.1	176.9	-179.7	-176.4	166	-165.1	0	112.1	L93 T94 F95 V155	L93-K97 WeakPolarHBondContact O-CB 3.24Å; L93-K97 PolarHBondContact O-N 2.91Å; T94-K97 PolarHBondContact O-N 3.1Å; T94-K97 VanDerWaalsContact O-N 3.16Å; F95-K97 PolarHBondContact O-N 3.46Å; K97-V155 HydrophobicContact CB-CG1 4.29Å; K97-V155 HydrophobicContact CD-CG1 3.69Å; K97-V155 PolarHBondContact NZ-O 3.2Å
98	D	95.6	Very high	94.6	Very high	110 Å²	110	44 Å²	44	59%	0.588	22%	0.223	S	C	*	.	H	α-helix	trans	-97.8	-23.1	-166.5	-66.3	-23.3	0	0	0	113.7	T94 F95	T94-D98 WeakPolarHBondContact CG2-OD2 3.39Å; T94-D98 WeakPolarHBondContact O-CB 3.38Å; T94-D98 PolarHBondContact O-N 2.7Å; F95-D98 PolarHBondContact O-N 2.74Å
99	H	96.1	Very high	94.6	Very high	44 Å²	44	45.4 Å²	45.4	20%	0.204	23%	0.231	C	C	.	.	S	Bend	trans	-65.6	142.5	-176.5	-174.4	39.7	0	0	0	111.9	Y60 F95 N101 A102 Q103	Y60-H99 AromaticContact CE1-CD2 3.96Å; Y60-H99 AromaticContact CE1-NE2 3.49Å; Y60-H99 WeakPolarHBondContact CE1-NE2 3.29Å; Y60-H99 AromaticContact CZ-NE2 3.55Å; Y60-H99 PolarHBondContact OH-CE1 3.1Å; Y60-H99 PolarHBondContact OH-NE2 2.84Å; F95-H99 HydrophobicContact CD2-CB 4.08Å; F95-H99 HydrophobicContact CE2-CB 3.9Å; F95-H99 AromaticContact CE2-CD2 3.66Å; F95-H99 AromaticContact CE2-CG 3.7Å; F95-H99 HydrophobicContact CG-CB 4.48Å; F95-H99 HydrophobicContact CZ-CB 4.16Å; F95-H99 AromaticContact CZ-CD2 3.37Å; F95-H99 WeakPolarHBondContact CZ-CD2 3.17Å; F95-H99 AromaticContact CZ-CG 3.86Å; F95-H99 AromaticContact CZ-NE2 3.97Å; F95-H99 WeakPolarHBondContact O-CB 3.47Å; F95-H99 PolarHBondContact O-N 3.17Å; H99-N101 VanDerWaalsContact C-N 3.26Å; H99-N101 PolarHBondContact O-N 3.39Å; H99-A102 HydrophobicContact CB-CB 4.08Å; H99-A102 CarbonylContact O-C 3.1Å; H99-A102 PolarHBondContact O-N 3.16Å; H99-A102 VanDerWaalsContact O-N 3.13Å; H99-Q103 VanDerWaalsContact O-CG 3.3Å; H99-Q103 WeakPolarHBondContact O-CG 3.42Å
100	T	95	Very high	94.4	Very high	94 Å²	94	45.4 Å²	45.4	58%	0.577	23%	0.231	S	C	*	.	S	Bend	trans	-63	-36.6	-174.3	-59.3	0	0	0	0	111.6	Q103 Y133	T100-Q103 WeakPolarHBondContact O-CG 3.5Å; T100-Q103 PolarHBondContact O-NE2 2.92Å; T100-Y133 PolarHBondContact O-OH 3.19Å
101	N	92.9	Very high	94.2	Very high	81 Å²	81	45.6 Å²	45.6	43%	0.433	23%	0.232	S	C	.	.	S	Bend	trans	-85.3	-20.6	178.7	-62	-20.1	0	0	0	113	Y60 H99 Y133	Y60-N101 HydrophobicContact CE1-CB 4.29Å; Y60-N101 PolarHBondContact OH-ND2 3.19Å; H99-N101 VanDerWaalsContact C-N 3.26Å; H99-N101 PolarHBondContact O-N 3.39Å; N101-Y133 WeakPolarHBondContact O-CE2 3.46Å
102	A	88	Confident	94	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.219	C	C	.	.			trans	-120.8	80.6	-179.8	0	0	0	0	0	107.6	F57 L96 H99 F104	F57-A102 HydrophobicContact CE2-CB 4.27Å; F57-A102 HydrophobicContact CZ-CB 3.72Å; L96-A102 CarbonylContact C-O 3.56Å; L96-A102 VanDerWaalsContact C-O 3.22Å; L96-A102 HydrophobicContact CD2-CB 4.07Å; L96-A102 CarbonylContact O-C 3.53Å; L96-A102 VanDerWaalsContact O-C 3.31Å; H99-A102 HydrophobicContact CB-CB 4.08Å; H99-A102 CarbonylContact O-C 3.1Å; H99-A102 PolarHBondContact O-N 3.16Å; H99-A102 VanDerWaalsContact O-N 3.13Å; A102-F104 VanDerWaalsContact C-N 3.35Å; A102-F104 HydrophobicContact CB-CD2 3.95Å; A102-F104 HydrophobicContact CB-CE2 3.92Å; A102-F104 PolarHBondContact O-N 2.91Å
103	Q	94.6	Very high	93.9	Very high	42 Å²	42	46.7 Å²	46.7	20%	0.196	24%	0.238	C	C	.	.			trans	-98.4	56	179.8	-65.3	-179.5	16.2	0	0	110.1	H99 T100 R105 S130 R132 Y133	H99-Q103 VanDerWaalsContact O-CG 3.3Å; H99-Q103 WeakPolarHBondContact O-CG 3.42Å; T100-Q103 WeakPolarHBondContact O-CG 3.5Å; T100-Q103 PolarHBondContact O-NE2 2.92Å; Q103-R105 PolarHBondContact O-N 2.9Å; Q103-S130 WeakPolarHBondContact O-CA 3.31Å; Q103-S130 VanDerWaalsContact O-CB 3.26Å; Q103-S130 WeakPolarHBondContact O-CB 3.39Å; Q103-S130 PolarHBondContact O-OG 3.08Å; Q103-R132 HydrophobicContact CB-CB 4.42Å; Q103-Y133 HydrophobicContact CB-CE2 4.26Å; Q103-Y133 HydrophobicContact CG-CE2 4.21Å
104	F	95.6	Very high	93.8	Very high	9 Å²	9	46.9 Å²	46.9	4%	0.039	24%	0.239	C	C	.	.			trans	-80.8	70.2	178.3	-60.7	-82.3	0	0	0	110.3	F57 L96 A102 L128 S130 S135 I137 H156	F57-F104 AromaticContact CE1-CE2 3.81Å; F57-F104 HydrophobicContact CE1-CE2 3.81Å; F57-F104 AromaticContact CE1-CZ 3.99Å; F57-F104 HydrophobicContact CE1-CZ 3.99Å; F57-F104 AromaticContact CZ-CE2 3.8Å; F57-F104 HydrophobicContact CZ-CE2 3.8Å; F57-F104 HydrophobicContact CZ-CZ 4.29Å; L96-F104 HydrophobicContact CB-CD2 4.13Å; L96-F104 HydrophobicContact CD2-CD2 4.02Å; L96-F104 HydrophobicContact CD2-CE2 4.13Å; L96-F104 WeakPolarHBondContact O-CA 3.41Å; L96-F104 WeakPolarHBondContact O-CB 3.06Å; L96-F104 WeakPolarHBondContact O-CD2 3.27Å; L96-F104 PolarHBondContact O-N 2.85Å; A102-F104 VanDerWaalsContact C-N 3.35Å; A102-F104 HydrophobicContact CB-CD2 3.95Å; A102-F104 HydrophobicContact CB-CE2 3.92Å; A102-F104 PolarHBondContact O-N 2.91Å; F104-L128 HydrophobicContact CB-CB 3.89Å; F104-L128 HydrophobicContact CB-CD1 4.23Å; F104-L128 HydrophobicContact CD1-CB 4.33Å; F104-L128 HydrophobicContact CG-CB 4.37Å; F104-S130 VanDerWaalsContact CD1-N 3.35Å; F104-S135 WeakPolarHBondContact CE1-O 3.19Å; F104-I137 HydrophobicContact CD1-CB 4.36Å; F104-I137 HydrophobicContact CD1-CG2 3.52Å; F104-I137 HydrophobicContact CD2-CG2 3.92Å; F104-I137 HydrophobicContact CE1-CB 3.83Å; F104-I137 HydrophobicContact CE1-CG2 3.49Å; F104-I137 VanDerWaalsContact CE1-CG2 3.49Å; F104-I137 HydrophobicContact CE2-CB 4.35Å; F104-I137 HydrophobicContact CE2-CD1 4.34Å; F104-I137 HydrophobicContact CE2-CG2 3.87Å; F104-I137 HydrophobicContact CG-CG2 3.76Å; F104-I137 HydrophobicContact CZ-CB 3.83Å; F104-I137 HydrophobicContact CZ-CD1 4.44Å; F104-I137 HydrophobicContact CZ-CG2 3.68Å; F104-H156 PolarHBondContact O-CE1 2.93Å
105	R	93.3	Very high	93.7	Very high	173 Å²	173	46 Å²	46	65%	0.653	23%	0.234	S	C	*	.			trans	-72.9	-31.4	-175.6	-67.7	-174.2	176.1	-179.1	-0.6	113.5	Q103 H156	Q103-R105 PolarHBondContact O-N 2.9Å; R105-H156 PolarHBondContact O-CE1 2.81Å; R105-H156 PolarHBondContact O-ND1 2.98Å
106	N	94.3	Very high	93.5	Very high	72 Å²	72	47.8 Å²	47.8	39%	0.385	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	124.9	-174.7	-165.3	15.8	0	0	0	110.3	L128 L129	N106-L128 WeakPolarHBondContact O-CA 3.48Å; N106-L129 HydrophobicContact CB-CB 4.29Å; N106-L129 PolarHBondContact N-O 3.02Å; N106-L129 PolarHBondContact O-N 3.37Å
107	M	92.8	Very high	93.4	Very high	6 Å²	6	53 Å²	53	3%	0.03	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	117.3	168.9	177.1	177.5	-82.2	0	0	106.8	L110 Y126 L128 H156 A159	M107-L110 HydrophobicContact CE-CD1 3.7Å; M107-L110 HydrophobicContact CG-CD1 4.26Å; M107-L110 HydrophobicContact SD-CD1 3.63Å; M107-Y126 HydrophobicContact CE-CD1 4.08Å; M107-L128 HydrophobicContact CB-CD2 4.01Å; M107-L128 HydrophobicContact CE-CD2 4.12Å; M107-L128 HydrophobicContact CG-CD2 4.12Å; M107-H156 HydrophobicContact CB-CB 4.09Å; M107-H156 HydrophobicContact CE-CB 3.61Å; M107-H156 VanDerWaalsContact CE-CD2 3.46Å; M107-H156 WeakPolarHBondContact CE-CD2 3.32Å; M107-H156 HydrophobicContact SD-CB 3.81Å; M107-A159 HydrophobicContact CE-CB 4.3Å; M107-A159 HydrophobicContact SD-CB 3.74Å
108	I	94	Very high	93.2	Very high	54 Å²	54	56.2 Å²	56.2	28%	0.277	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-48.2	-179.9	-63.2	167.8	0	0	0	109.3	N127 L129 R136 Y162	I108-N127 HydrophobicContact CB-CB 4.4Å; I108-N127 PolarHBondContact N-O 2.79Å; I108-L129 HydrophobicContact CD1-CB 3.59Å; I108-L129 HydrophobicContact CD1-CD2 4.38Å; I108-L129 HydrophobicContact CD1-CG 4.45Å; I108-L129 HydrophobicContact CG1-CB 3.81Å; I108-R136 HydrophobicContact CD1-CG 4.45Å; I108-Y162 PolarHBondContact O-OH 3.27Å
109	D	92.6	Very high	93.1	Very high	30 Å²	30	59.9 Å²	59.9	16%	0.16	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	149.8	-166	170.7	44.3	0	0	0	110.8	T111 N127	D109-T111 WeakPolarHBondContact OD2-CG2 3.49Å; D109-T111 PolarHBondContact OD2-OG1 3.08Å; D109-N127 HydrophobicContact CB-CB 4.09Å; D109-N127 PolarHBondContact N-O 2.87Å; D109-N127 PolarHBondContact O-N 2.95Å; D109-N127 PolarHBondContact OD2-ND2 2.9Å
110	L	91.8	Very high	92.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	105.2	173.3	-125	60.4	0	0	0	105.3	M107 V125 Y126 A159 Y162 E163 Q167	M107-L110 HydrophobicContact CE-CD1 3.7Å; M107-L110 HydrophobicContact CG-CD1 4.26Å; M107-L110 HydrophobicContact SD-CD1 3.63Å; L110-V125 WeakPolarHBondContact CA-O 3.45Å; L110-Y126 HydrophobicContact CD1-CD1 3.06Å; L110-Y126 HydrophobicContact CD1-CE1 3.46Å; L110-Y126 VanDerWaalsContact CD1-CE1 3.46Å; L110-Y126 HydrophobicContact CD1-CG 3.8Å; L110-Y126 HydrophobicContact CD2-CE1 4.19Å; L110-Y126 HydrophobicContact CG-CD1 4.02Å; L110-Y126 HydrophobicContact CG-CE1 3.97Å; L110-A159 HydrophobicContact CD2-CB 4.19Å; L110-Y162 VanDerWaalsContact CB-CB 3.41Å; L110-Y162 HydrophobicContact CB-CD1 4.2Å; L110-Y162 HydrophobicContact CB-CD2 4.48Å; L110-Y162 HydrophobicContact CB-CG 3.81Å; L110-E163 HydrophobicContact CD2-CG 3.65Å; L110-Q167 VanDerWaalsContact C-CG 3.44Å; L110-Q167 HydrophobicContact CB-CB 4.34Å; L110-Q167 HydrophobicContact CB-CG 4.13Å; L110-Q167 VanDerWaalsContact CB-NE2 3.28Å; L110-Q167 WeakPolarHBondContact O-CB 3.22Å; L110-Q167 WeakPolarHBondContact O-CG 3.17Å; L110-Q167 PolarHBondContact O-NE2 2.86Å
111	T	90.9	Very high	92.8	Very high	41 Å²	41	57.3 Å²	57.3	25%	0.252	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	147.4	174.2	35.1	0	0	0	0	113	D109 V125 Q167	D109-T111 WeakPolarHBondContact OD2-CG2 3.49Å; D109-T111 PolarHBondContact OD2-OG1 3.08Å; T111-V125 PolarHBondContact N-O 3.23Å; T111-V125 WeakPolarHBondContact O-CA 3.19Å; T111-V125 PolarHBondContact O-N 3.25Å; T111-Q167 PolarHBondContact O-NE2 2.99Å
112	A	91.7	Very high	92.9	Very high	7 Å²	7	53.4 Å²	53.4	6%	0.058	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	152.1	168.5	0	0	0	0	0	110.2	E123 Q167 Y172	A112-E123 CarbonylContact C-O 3.57Å; A112-E123 VanDerWaalsContact CA-O 3.26Å; A112-E123 WeakPolarHBondContact CA-O 3.41Å; A112-Q167 HydrophobicContact CB-CG 3.95Å; A112-Q167 WeakPolarHBondContact CB-O 3.24Å; A112-Y172 HydrophobicContact CB-CD2 3.67Å; A112-Y172 HydrophobicContact CB-CE2 3.81Å; A112-Y172 HydrophobicContact CB-CG 4.12Å; A112-Y172 WeakPolarHBondContact O-CE2 3.49Å; A112-Y172 VanDerWaalsContact O-CZ 3.28Å; A112-Y172 PolarHBondContact O-OH 3Å; A112-Y172 VanDerWaalsContact O-OH 3.05Å
113	V	93.3	Very high	93.2	Very high	65 Å²	65	55 Å²	55	39%	0.394	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	121.7	178.6	-174.9	0	0	0	0	108.3	V115 F122 E123	V113-V115 HydrophobicContact CG1-CG2 3.99Å; V113-F122 WeakPolarHBondContact O-CA 3.35Å; V113-E123 HydrophobicContact CB-CB 4.44Å; V113-E123 PolarHBondContact N-O 2.9Å; V113-E123 PolarHBondContact O-N 3.25Å
114	D	93.7	Very high	93.1	Very high	4 Å²	4	53 Å²	53	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	118.9	171.9	177.4	9.1	0	0	0	110.1	P116 R121 F122 Y172 R197 K198	D114-P116 WeakPolarHBondContact OD1-CD 3.33Å; D114-R121 WeakPolarHBondContact OD1-CD 3.49Å; D114-R121 WeakPolarHBondContact OD1-CG 3.28Å; D114-R121 IonicContact OD1-CZ 3.43Å; D114-R121 IonicContact OD1-NE 2.75Å; D114-R121 PolarHBondContact OD1-NE 2.86Å; D114-R121 IonicContact OD2-CZ 2.88Å; D114-R121 IonicContact OD2-NE 3Å; D114-R121 IonicContact OD2-NH2 3.47Å; D114-F122 HydrophobicContact CB-CD1 4.01Å; D114-F122 HydrophobicContact CB-CE1 3.95Å; D114-Y172 HydrophobicContact CB-CD1 4.03Å; D114-Y172 HydrophobicContact CB-CE1 3.77Å; D114-R197 WeakPolarHBondContact OD2-CA 3.3Å; D114-K198 HydrophobicContact CB-CG 4.12Å; D114-K198 PolarHBondContact OD2-N 3.42Å
115	V	94.4	Very high	93.1	Very high	32 Å²	32	53 Å²	53	19%	0.194	27%	0.269	C	S	.	.			trans	-122.8	92.3	174.3	-173.5	0	0	0	0	108.8	V113 S117 R118 R121	V113-V115 HydrophobicContact CG1-CG2 3.99Å; V115-S117 WeakPolarHBondContact CG1-OG 3.42Å; V115-S117 PolarHBondContact O-N 3.04Å; V115-R118 HydrophobicContact CB-CG 4.41Å; V115-R118 HydrophobicContact CG1-CG 3.94Å; V115-R118 PolarHBondContact O-N 3.22Å; V115-R121 PolarHBondContact N-O 2.95Å
116	P	92.6	Very high	93.2	Very high	76 Å²	76	44.8 Å²	44.8	49%	0.494	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.2	-174.2	-22.7	32	0	0	0	115.4	D114 R118 K198	D114-P116 WeakPolarHBondContact OD1-CD 3.33Å; P116-R118 VanDerWaalsContact C-N 3.28Å; P116-R118 PolarHBondContact O-N 3.46Å; P116-K198 HydrophobicContact CG-CB 3.82Å; P116-K198 HydrophobicContact CG-CG 4.05Å
117	S	93.1	Very high	93.3	Very high	111 Å²	111	42.8 Å²	42.8	78%	0.776	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-14.3	-179.6	55.7	0	0	0	0	113.6	V115	V115-S117 WeakPolarHBondContact CG1-OG 3.42Å; V115-S117 PolarHBondContact O-N 3.04Å
118	R	92.1	Very high	93.5	Very high	129 Å²	129	42.5 Å²	42.5	49%	0.487	23%	0.226	S	C	.	.	S	Bend	trans	-92.9	152.9	180	-65.1	-179.9	-178.7	169.3	2.2	110.4	V115 P116 N120 E123	V115-R118 HydrophobicContact CB-CG 4.41Å; V115-R118 HydrophobicContact CG1-CG 3.94Å; V115-R118 PolarHBondContact O-N 3.22Å; P116-R118 VanDerWaalsContact C-N 3.28Å; P116-R118 PolarHBondContact O-N 3.46Å; R118-N120 VanDerWaalsContact C-N 3.31Å; R118-N120 WeakPolarHBondContact CB-O 3.34Å; R118-E123 IonicContact CZ-OE2 2.75Å; R118-E123 IonicContact NH1-OE2 2.89Å; R118-E123 PolarHBondContact NH1-OE2 3.45Å; R118-E123 IonicContact NH2-OE2 2.99Å
119	Q	91.8	Very high	93.6	Very high	187 Å²	187	41 Å²	41	87%	0.874	22%	0.218	S	C	*	.	S	Bend	trans	-58.7	-48.3	170.2	-178	177	3.4	0	0	110.4	R121	Q119-R121 PolarHBondContact O-N 3.36Å
120	N	93.4	Very high	93.8	Very high	43 Å²	43	39.5 Å²	39.5	23%	0.23	21%	0.21	C	C	.	.	S	Bend	trans	-92.6	98.2	174.6	-51.7	-10.4	0	0	0	107.9	R118 F122 Y142 T143 D144	R118-N120 VanDerWaalsContact C-N 3.31Å; R118-N120 WeakPolarHBondContact CB-O 3.34Å; N120-F122 PolarHBondContact O-N 3.13Å; N120-Y142 HydrophobicContact CB-CD2 3.93Å; N120-Y142 HydrophobicContact CB-CG 4.32Å; N120-Y142 WeakPolarHBondContact ND2-CD2 3.12Å; N120-Y142 WeakPolarHBondContact ND2-CE2 3.42Å; N120-T143 CarbonylContact C-O 3.45Å; N120-D144 WeakPolarHBondContact CA-OD1 3.34Å; N120-D144 WeakPolarHBondContact CB-OD1 3.17Å; N120-D144 PolarHBondContact OD1-OD1 2.78Å
121	R	92.7	Very high	93.9	Very high	41 Å²	41	45.4 Å²	45.4	16%	0.155	24%	0.241	C	C	.	.			trans	-64	-39.2	-167.6	-178.2	172.6	-155.7	175.8	6	113.1	D114 V115 Q119 T143 E145 D199	D114-R121 WeakPolarHBondContact OD1-CD 3.49Å; D114-R121 WeakPolarHBondContact OD1-CG 3.28Å; D114-R121 IonicContact OD1-CZ 3.43Å; D114-R121 IonicContact OD1-NE 2.75Å; D114-R121 PolarHBondContact OD1-NE 2.86Å; D114-R121 IonicContact OD2-CZ 2.88Å; D114-R121 IonicContact OD2-NE 3Å; D114-R121 IonicContact OD2-NH2 3.47Å; V115-R121 PolarHBondContact N-O 2.95Å; Q119-R121 PolarHBondContact O-N 3.36Å; R121-T143 PolarHBondContact N-O 3.49Å; R121-E145 WeakPolarHBondContact CD-OE1 3.33Å; R121-E145 IonicContact CZ-OE1 3.11Å; R121-E145 IonicContact NE-OE1 3.6Å; R121-E145 IonicContact NH1-OE1 2.67Å; R121-E145 PolarHBondContact NH1-OE1 2.85Å; R121-D199 IonicContact CZ-OD2 3.5Å; R121-D199 IonicContact NH1-OD2 2.7Å; R121-D199 PolarHBondContact NH1-OD2 3.18Å; R121-D199 IonicContact NH2-OD2 3.49Å; R121-D199 PolarHBondContact NH2-OD2 3.24Å
122	F	94.3	Very high	94.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	130.3	-172.8	-58.4	-61.9	0	0	0	111	V113 D114 N120 Y142 T143 E145 Y172 V174 R197	V113-F122 WeakPolarHBondContact O-CA 3.35Å; D114-F122 HydrophobicContact CB-CD1 4.01Å; D114-F122 HydrophobicContact CB-CE1 3.95Å; N120-F122 PolarHBondContact O-N 3.13Å; F122-Y142 CarbonylContact O-C 3.38Å; F122-Y142 VanDerWaalsContact O-CA 3.24Å; F122-Y142 WeakPolarHBondContact O-CA 3.27Å; F122-T143 HydrophobicContact CB-CG2 3.82Å; F122-T143 HydrophobicContact CD2-CG2 4.42Å; F122-T143 PolarHBondContact N-O 3.14Å; F122-T143 PolarHBondContact O-N 2.76Å; F122-E145 HydrophobicContact CE2-CB 4.12Å; F122-E145 HydrophobicContact CE2-CG 3.75Å; F122-E145 HydrophobicContact CZ-CG 4.34Å; F122-Y172 AromaticContact CD1-CD1 3.99Å; F122-Y172 HydrophobicContact CD1-CD1 3.99Å; F122-Y172 HydrophobicContact CD1-CG 4.5Å; F122-Y172 AromaticContact CE1-CD1 3.85Å; F122-Y172 HydrophobicContact CE1-CD1 3.85Å; F122-Y172 HydrophobicContact CE1-CG 4.44Å; F122-Y172 WeakPolarHBondContact CZ-O 3.47Å; F122-V174 HydrophobicContact CB-CG2 3.78Å; F122-V174 HydrophobicContact CD1-CG2 4.3Å; F122-V174 HydrophobicContact CD2-CG2 3.16Å; F122-V174 HydrophobicContact CE2-CG2 3.71Å; F122-V174 HydrophobicContact CG-CG2 3.49Å; F122-V174 VanDerWaalsContact CG-CG2 3.49Å; F122-V174 HydrophobicContact CZ-CG2 4.5Å; F122-R197 HydrophobicContact CE1-CG 4.35Å; F122-R197 HydrophobicContact CZ-CG 4.35Å
123	E	93.9	Very high	94.2	Very high	32 Å²	32	56.4 Å²	56.4	15%	0.15	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	115.8	170.9	-171.1	174	179.7	0	0	108.9	A112 V113 R118 V125 K140 T141	A112-E123 CarbonylContact C-O 3.57Å; A112-E123 VanDerWaalsContact CA-O 3.26Å; A112-E123 WeakPolarHBondContact CA-O 3.41Å; V113-E123 HydrophobicContact CB-CB 4.44Å; V113-E123 PolarHBondContact N-O 2.9Å; V113-E123 PolarHBondContact O-N 3.25Å; R118-E123 IonicContact CZ-OE2 2.75Å; R118-E123 IonicContact NH1-OE2 2.89Å; R118-E123 PolarHBondContact NH1-OE2 3.45Å; R118-E123 IonicContact NH2-OE2 2.99Å; E123-V125 HydrophobicContact CG-CG2 4.49Å; E123-K140 WeakPolarHBondContact OE1-CD 3.16Å; E123-T141 CarbonylContact C-O 3.51Å; E123-T141 VanDerWaalsContact CA-O 3.31Å; E123-T141 WeakPolarHBondContact CA-O 3.39Å
124	I	93.9	Very high	94.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.2	-179.5	-52.7	169.9	0	0	0	108.3	Y126 K140 T141 T143 V149 V168 V174 F176	I124-Y126 HydrophobicContact CB-CE2 4.33Å; I124-Y126 HydrophobicContact CG2-CD2 4.31Å; I124-Y126 HydrophobicContact CG2-CE2 3.57Å; I124-K140 CarbonylContact O-C 3.47Å; I124-K140 WeakPolarHBondContact O-CA 3.47Å; I124-T141 WeakPolarHBondContact CB-OG1 3.49Å; I124-T141 PolarHBondContact N-O 3.32Å; I124-T141 PolarHBondContact O-N 3.32Å; I124-T141 PolarHBondContact O-OG1 2.96Å; I124-T143 HydrophobicContact CD1-CG2 3.89Å; I124-T143 HydrophobicContact CG1-CG2 4.33Å; I124-V149 HydrophobicContact CD1-CB 4.31Å; I124-V149 HydrophobicContact CD1-CG1 4.32Å; I124-V149 HydrophobicContact CD1-CG2 3.83Å; I124-V168 HydrophobicContact CD1-CG2 4.16Å; I124-V168 HydrophobicContact CG1-CG2 4.34Å; I124-V174 HydrophobicContact CD1-CG1 4.17Å; I124-F176 HydrophobicContact CD1-CE1 4.38Å; I124-F176 HydrophobicContact CD1-CZ 4.32Å
125	V	95.2	Very high	94.3	Very high	10 Å²	10	61.9 Å²	61.9	6%	0.061	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.5	-172.2	-177.4	0	0	0	0	109.8	L110 T111 E123 R138 K140 Q167	L110-V125 WeakPolarHBondContact CA-O 3.45Å; T111-V125 PolarHBondContact N-O 3.23Å; T111-V125 WeakPolarHBondContact O-CA 3.19Å; T111-V125 PolarHBondContact O-N 3.25Å; E123-V125 HydrophobicContact CG-CG2 4.49Å; V125-R138 VanDerWaalsContact CG1-CD 3.41Å; V125-R138 HydrophobicContact CG1-CG 3.37Å; V125-K140 HydrophobicContact CG1-CG 4.37Å; V125-K140 HydrophobicContact CG2-CD 4.27Å; V125-K140 HydrophobicContact CG2-CG 4.17Å; V125-Q167 PolarHBondContact O-NE2 3.35Å; V125-Q167 VanDerWaalsContact O-NE2 3.14Å
126	Y	95.3	Very high	94.4	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	115.8	176.9	-59.2	-104.5	0	0	0	108.8	V89 L93 M107 L110 I124 R138 V139	V89-Y126 HydrophobicContact CG1-CE1 4.45Å; L93-Y126 HydrophobicContact CD1-CD1 3.78Å; L93-Y126 HydrophobicContact CD1-CE1 3.78Å; L93-Y126 HydrophobicContact CD2-CD1 4.2Å; L93-Y126 HydrophobicContact CD2-CG 4.35Å; M107-Y126 HydrophobicContact CE-CD1 4.08Å; L110-Y126 HydrophobicContact CD1-CD1 3.06Å; L110-Y126 HydrophobicContact CD1-CE1 3.46Å; L110-Y126 VanDerWaalsContact CD1-CE1 3.46Å; L110-Y126 HydrophobicContact CD1-CG 3.8Å; L110-Y126 HydrophobicContact CD2-CE1 4.19Å; L110-Y126 HydrophobicContact CG-CD1 4.02Å; L110-Y126 HydrophobicContact CG-CE1 3.97Å; I124-Y126 HydrophobicContact CB-CE2 4.33Å; I124-Y126 HydrophobicContact CG2-CD2 4.31Å; I124-Y126 HydrophobicContact CG2-CE2 3.57Å; Y126-R138 CarbonylContact O-C 3.48Å; Y126-R138 WeakPolarHBondContact O-CA 3.25Å; Y126-V139 PolarHBondContact N-O 2.91Å; Y126-V139 PolarHBondContact O-N 3.25Å
127	N	95.8	Very high	94.6	Very high	30 Å²	30	65.2 Å²	65.2	16%	0.16	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	114.9	175.5	-69.4	-50.8	0	0	0	109.4	I108 D109 R138	I108-N127 HydrophobicContact CB-CB 4.4Å; I108-N127 PolarHBondContact N-O 2.79Å; D109-N127 HydrophobicContact CB-CB 4.09Å; D109-N127 PolarHBondContact N-O 2.87Å; D109-N127 PolarHBondContact O-N 2.95Å; D109-N127 PolarHBondContact OD2-ND2 2.9Å; N127-R138 WeakPolarHBondContact OD1-CG 3.23Å; N127-R138 PolarHBondContact OD1-NE 2.82Å
128	L	96.1	Very high	94.8	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	152.4	-177.3	-49.4	173.9	0	0	0	111.9	L93 L96 F104 N106 M107 R136 I137 V139	L93-L128 HydrophobicContact CD2-CD1 3.81Å; L96-L128 HydrophobicContact CB-CD1 4.32Å; L96-L128 HydrophobicContact CD1-CD1 4.03Å; F104-L128 HydrophobicContact CB-CB 3.89Å; F104-L128 HydrophobicContact CB-CD1 4.23Å; F104-L128 HydrophobicContact CD1-CB 4.33Å; F104-L128 HydrophobicContact CG-CB 4.37Å; N106-L128 WeakPolarHBondContact O-CA 3.48Å; M107-L128 HydrophobicContact CB-CD2 4.01Å; M107-L128 HydrophobicContact CE-CD2 4.12Å; M107-L128 HydrophobicContact CG-CD2 4.12Å; L128-R136 WeakPolarHBondContact O-CA 3.24Å; L128-I137 HydrophobicContact CB-CG2 3.83Å; L128-I137 HydrophobicContact CD1-CG2 4.2Å; L128-I137 HydrophobicContact CG-CG2 4.43Å; L128-I137 PolarHBondContact N-O 2.85Å; L128-I137 PolarHBondContact O-N 3.47Å; L128-I137 VanDerWaalsContact O-N 3.08Å; L128-V139 HydrophobicContact CD1-CG2 4.46Å
129	L	96.6	Very high	95	Very high	21 Å²	21	56.7 Å²	56.7	11%	0.11	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	128.5	179.4	175.6	69	0	0	0	111.2	N106 I108 L131 R136	N106-L129 HydrophobicContact CB-CB 4.29Å; N106-L129 PolarHBondContact N-O 3.02Å; N106-L129 PolarHBondContact O-N 3.37Å; I108-L129 HydrophobicContact CD1-CB 3.59Å; I108-L129 HydrophobicContact CD1-CD2 4.38Å; I108-L129 HydrophobicContact CD1-CG 4.45Å; I108-L129 HydrophobicContact CG1-CB 3.81Å; L129-L131 HydrophobicContact CD2-CD2 3.82Å; L129-L131 HydrophobicContact CG-CD2 4.28Å; L129-R136 HydrophobicContact CD1-CG 3.7Å
130	S	96.4	Very high	95.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	114.4	166.1	-174.3	0	0	0	0	109.8	Q103 F104 R132 Y133 N134 S135	Q103-S130 WeakPolarHBondContact O-CA 3.31Å; Q103-S130 VanDerWaalsContact O-CB 3.26Å; Q103-S130 WeakPolarHBondContact O-CB 3.39Å; Q103-S130 PolarHBondContact O-OG 3.08Å; F104-S130 VanDerWaalsContact CD1-N 3.35Å; S130-R132 VanDerWaalsContact C-N 3.32Å; S130-Y133 WeakPolarHBondContact OG-CD2 3.35Å; S130-N134 WeakPolarHBondContact O-CA 3.39Å; S130-N134 PolarHBondContact O-N 3.22Å; S130-S135 PolarHBondContact N-O 2.71Å; S130-S135 PolarHBondContact O-N 3.27Å
131	L	94.7	Very high	95.3	Very high	123 Å²	123	47.4 Å²	47.4	64%	0.644	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-28.4	174.5	-63.6	173.3	0	0	0	112.1	L129	L129-L131 HydrophobicContact CD2-CD2 3.82Å; L129-L131 HydrophobicContact CG-CD2 4.28Å
132	R	95	Very high	95.4	Very high	176 Å²	176	48.5 Å²	48.5	66%	0.664	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-43.2	-178.7	178.8	70.3	-72.4	174.5	4.9	111.6	Q103 S130	Q103-R132 HydrophobicContact CB-CB 4.42Å; S130-R132 VanDerWaalsContact C-N 3.32Å
133	Y	93.9	Very high	95.4	Very high	103 Å²	103	48.7 Å²	48.7	40%	0.404	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	1.2	-176.7	-58.5	-68.1	0	0	0	113.2	T100 N101 Q103 S130 S135	T100-Y133 PolarHBondContact O-OH 3.19Å; N101-Y133 WeakPolarHBondContact O-CE2 3.46Å; Q103-Y133 HydrophobicContact CB-CE2 4.26Å; Q103-Y133 HydrophobicContact CG-CE2 4.21Å; S130-Y133 WeakPolarHBondContact OG-CD2 3.35Å; Y133-S135 PolarHBondContact O-N 3.19Å; Y133-S135 VanDerWaalsContact O-N 3.15Å; Y133-S135 PolarHBondContact O-OG 2.82Å
134	N	94.9	Very high	95.4	Very high	139 Å²	139	49.7 Å²	49.7	74%	0.743	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	43.9	45.9	-174.2	-167.4	24.7	0	0	0	112.9	S130	S130-N134 WeakPolarHBondContact O-CA 3.39Å; S130-N134 PolarHBondContact O-N 3.22Å
135	S	94.5	Very high	95.1	Very high	45 Å²	45	53.2 Å²	53.2	32%	0.315	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	147.2	-173	-66.2	0	0	0	0	110.1	F104 S130 Y133	F104-S135 WeakPolarHBondContact CE1-O 3.19Å; S130-S135 PolarHBondContact N-O 2.71Å; S130-S135 PolarHBondContact O-N 3.27Å; Y133-S135 PolarHBondContact O-N 3.19Å; Y133-S135 VanDerWaalsContact O-N 3.15Å; Y133-S135 PolarHBondContact O-OG 2.82Å
136	R	96.2	Very high	94.9	Very high	173 Å²	173	60.5 Å²	60.5	65%	0.653	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	147.4	178.8	-65.8	-178	-176.4	-159.1	-0.7	110.4	I108 L128 L129	I108-R136 HydrophobicContact CD1-CG 4.45Å; L128-R136 WeakPolarHBondContact O-CA 3.24Å; L129-R136 HydrophobicContact CD1-CG 3.7Å
137	I	96.4	Very high	94.7	Very high	5 Å²	5	63.5 Å²	63.5	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	144.7	174.2	-168.7	170.9	0	0	0	108.9	F57 L80 V82 L96 F104 L128	F57-I137 HydrophobicContact CE1-CD1 4.23Å; L80-I137 HydrophobicContact CB-CG1 4.43Å; L80-I137 HydrophobicContact CD2-CD1 3.76Å; L80-I137 HydrophobicContact CD2-CG1 3.99Å; L80-I137 HydrophobicContact CG-CD1 4.33Å; L80-I137 HydrophobicContact CG-CG1 4.14Å; V82-I137 HydrophobicContact CG2-CD1 3.81Å; V82-I137 HydrophobicContact CG2-CG1 4.27Å; L96-I137 HydrophobicContact CD1-CD1 4.4Å; L96-I137 HydrophobicContact CD2-CD1 4.1Å; F104-I137 HydrophobicContact CD1-CB 4.36Å; F104-I137 HydrophobicContact CD1-CG2 3.52Å; F104-I137 HydrophobicContact CD2-CG2 3.92Å; F104-I137 HydrophobicContact CE1-CB 3.83Å; F104-I137 HydrophobicContact CE1-CG2 3.49Å; F104-I137 VanDerWaalsContact CE1-CG2 3.49Å; F104-I137 HydrophobicContact CE2-CB 4.35Å; F104-I137 HydrophobicContact CE2-CD1 4.34Å; F104-I137 HydrophobicContact CE2-CG2 3.87Å; F104-I137 HydrophobicContact CG-CG2 3.76Å; F104-I137 HydrophobicContact CZ-CB 3.83Å; F104-I137 HydrophobicContact CZ-CD1 4.44Å; F104-I137 HydrophobicContact CZ-CG2 3.68Å; L128-I137 HydrophobicContact CB-CG2 3.83Å; L128-I137 HydrophobicContact CD1-CG2 4.2Å; L128-I137 HydrophobicContact CG-CG2 4.43Å; L128-I137 PolarHBondContact N-O 2.85Å; L128-I137 PolarHBondContact O-N 3.47Å; L128-I137 VanDerWaalsContact O-N 3.08Å
138	R	97.3	Very high	94.5	Very high	62 Å²	62	65.5 Å²	65.5	23%	0.234	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	126.4	172.7	-171	175.1	-66.6	150.5	10.4	109	E79 L80 E81 V82 V125 Y126 N127 K140	E79-R138 IonicContact OE2-CZ 3.25Å; E79-R138 IonicContact OE2-NH1 3.06Å; E79-R138 PolarHBondContact OE2-NH1 3.42Å; E79-R138 IonicContact OE2-NH2 3.54Å; E79-R138 PolarHBondContact OE2-NH2 2.84Å; L80-R138 PolarHBondContact O-N 2.77Å; E81-R138 CarbonylContact C-O 3.45Å; E81-R138 VanDerWaalsContact CA-O 3.27Å; E81-R138 WeakPolarHBondContact CA-O 3.48Å; E81-R138 HydrophobicContact CG-CB 4.17Å; E81-R138 WeakPolarHBondContact OE1-CD 3.23Å; E81-R138 IonicContact OE1-CZ 2.95Å; E81-R138 IonicContact OE1-NE 3.79Å; E81-R138 IonicContact OE1-NH1 3.53Å; E81-R138 PolarHBondContact OE1-NH1 2.82Å; V82-R138 PolarHBondContact N-O 2.86Å; V125-R138 VanDerWaalsContact CG1-CD 3.41Å; V125-R138 HydrophobicContact CG1-CG 3.37Å; Y126-R138 CarbonylContact O-C 3.48Å; Y126-R138 WeakPolarHBondContact O-CA 3.25Å; N127-R138 WeakPolarHBondContact OD1-CG 3.23Å; N127-R138 PolarHBondContact OD1-NE 2.82Å; R138-K140 HydrophobicContact CG-CG 4.16Å
139	V	96.8	Very high	94.3	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.5	173.7	-177.6	0	0	0	0	107.8	V82 I84 V92 L96 Y126 L128	V82-V139 CarbonylContact O-C 3.45Å; V82-V139 WeakPolarHBondContact O-CA 3.14Å; I84-V139 HydrophobicContact CD1-CG1 3.47Å; I84-V139 VanDerWaalsContact CD1-CG1 3.47Å; I84-V139 HydrophobicContact CG1-CG1 3.58Å; I84-V139 HydrophobicContact CG2-CG1 4.14Å; V92-V139 HydrophobicContact CG1-CG1 4.47Å; L96-V139 HydrophobicContact CD1-CG2 3.44Å; L96-V139 VanDerWaalsContact CD1-CG2 3.44Å; Y126-V139 PolarHBondContact N-O 2.91Å; Y126-V139 PolarHBondContact O-N 3.25Å; L128-V139 HydrophobicContact CD1-CG2 4.46Å
140	K	96.2	Very high	94.2	Very high	33 Å²	33	67.4 Å²	67.4	14%	0.143	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.8	-177.3	-57.3	-166.4	-179.6	167.9	0	110.6	E81 V82 I84 E123 I124 V125 R138	E81-K140 VanDerWaalsContact OE1-CE 3.26Å; E81-K140 WeakPolarHBondContact OE1-CE 3.43Å; E81-K140 IonicContact OE1-NZ 3.65Å; E81-K140 PolarHBondContact OE1-NZ 3.05Å; E81-K140 VanDerWaalsContact OE2-CE 3.25Å; E81-K140 WeakPolarHBondContact OE2-CE 3.49Å; E81-K140 IonicContact OE2-NZ 3.45Å; E81-K140 PolarHBondContact OE2-NZ 3.34Å; V82-K140 PolarHBondContact O-N 3.3Å; I84-K140 VanDerWaalsContact CG1-O 3.25Å; I84-K140 WeakPolarHBondContact CG1-O 3.45Å; I84-K140 PolarHBondContact N-O 3.05Å; E123-K140 WeakPolarHBondContact OE1-CD 3.16Å; I124-K140 CarbonylContact O-C 3.47Å; I124-K140 WeakPolarHBondContact O-CA 3.47Å; V125-K140 HydrophobicContact CG1-CG 4.37Å; V125-K140 HydrophobicContact CG2-CD 4.27Å; V125-K140 HydrophobicContact CG2-CG 4.17Å; R138-K140 HydrophobicContact CG-CG 4.16Å
141	T	95.4	Very high	94	Very high	2 Å²	2	67.8 Å²	67.8	1%	0.012	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	165.4	174	43.2	0	0	0	0	109	I84 V89 E123 I124	I84-T141 HydrophobicContact CD1-CG2 3.35Å; I84-T141 HydrophobicContact CG1-CG2 3.29Å; V89-T141 HydrophobicContact CG2-CG2 3.6Å; E123-T141 CarbonylContact C-O 3.51Å; E123-T141 VanDerWaalsContact CA-O 3.31Å; E123-T141 WeakPolarHBondContact CA-O 3.39Å; I124-T141 WeakPolarHBondContact CB-OG1 3.49Å; I124-T141 PolarHBondContact N-O 3.32Å; I124-T141 PolarHBondContact O-N 3.32Å; I124-T141 PolarHBondContact O-OG1 2.96Å
142	Y	95.1	Very high	93.9	Very high	64 Å²	64	61.9 Å²	61.9	25%	0.251	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	155	174.8	54.3	-99.4	0	0	0	110.1	Q70 H85 P86 N120 F122	Q70-Y142 PolarHBondContact NE2-OH 3.47Å; H85-Y142 PolarHBondContact CD2-OH 3.5Å; H85-Y142 VanDerWaalsContact CD2-OH 3.25Å; P86-Y142 HydrophobicContact CG-CD2 4.43Å; P86-Y142 HydrophobicContact CG-CE2 4.02Å; N120-Y142 HydrophobicContact CB-CD2 3.93Å; N120-Y142 HydrophobicContact CB-CG 4.32Å; N120-Y142 WeakPolarHBondContact ND2-CD2 3.12Å; N120-Y142 WeakPolarHBondContact ND2-CE2 3.42Å; F122-Y142 CarbonylContact O-C 3.38Å; F122-Y142 VanDerWaalsContact O-CA 3.24Å; F122-Y142 WeakPolarHBondContact O-CA 3.27Å
143	T	94.3	Very high	93.8	Very high	4 Å²	4	54.7 Å²	54.7	3%	0.025	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	167.3	172.5	-164.2	0	0	0	0	112	N120 R121 F122 I124 T147 V149 V174	N120-T143 CarbonylContact C-O 3.45Å; R121-T143 PolarHBondContact N-O 3.49Å; F122-T143 HydrophobicContact CB-CG2 3.82Å; F122-T143 HydrophobicContact CD2-CG2 4.42Å; F122-T143 PolarHBondContact N-O 3.14Å; F122-T143 PolarHBondContact O-N 2.76Å; I124-T143 HydrophobicContact CD1-CG2 3.89Å; I124-T143 HydrophobicContact CG1-CG2 4.33Å; T143-T147 PolarHBondContact OG1-O 2.95Å; T143-V149 HydrophobicContact CG2-CG2 4Å; T143-V174 HydrophobicContact CG2-CB 4.3Å; T143-V174 HydrophobicContact CG2-CG1 3.59Å; T143-V174 HydrophobicContact CG2-CG2 3.66Å
144	D	92.7	Very high	93.7	Very high	52 Å²	52	54.3 Å²	54.3	28%	0.278	28%	0.283	S	S	.	.			trans	-97.3	-179.5	173.6	-54.5	-31.6	0	0	0	110.3	N120 L146 T147	N120-D144 WeakPolarHBondContact CA-OD1 3.34Å; N120-D144 WeakPolarHBondContact CB-OD1 3.17Å; N120-D144 PolarHBondContact OD1-OD1 2.78Å; D144-L146 VanDerWaalsContact C-N 3.32Å; D144-T147 PolarHBondContact OD2-OG1 2.83Å
145	E	88.5	Confident	93.6	Very high	75 Å²	75	48.1 Å²	48.1	35%	0.35	25%	0.25	S	C	.	.	S	Bend	trans	-72.2	-27.7	176	-39.6	-161.8	170.2	0	0	113.3	R121 F122 R197	R121-E145 WeakPolarHBondContact CD-OE1 3.33Å; R121-E145 IonicContact CZ-OE1 3.11Å; R121-E145 IonicContact NE-OE1 3.6Å; R121-E145 IonicContact NH1-OE1 2.67Å; R121-E145 PolarHBondContact NH1-OE1 2.85Å; F122-E145 HydrophobicContact CE2-CB 4.12Å; F122-E145 HydrophobicContact CE2-CG 3.75Å; F122-E145 HydrophobicContact CZ-CG 4.34Å; E145-R197 IonicContact OE1-NH1 2.71Å; E145-R197 IonicContact OE2-CZ 3.91Å; E145-R197 IonicContact OE2-NH1 3.79Å; E145-R197 PolarHBondContact OE2-NH1 2.86Å; E145-R197 IonicContact OE2-NH2 4Å
146	L	90.6	Very high	93.5	Very high	163 Å²	163	46.5 Å²	46.5	85%	0.853	24%	0.237	S	C	*	.	S	Bend	trans	-102.6	-28	-174.2	-59.7	176.3	0	0	0	112.5	D144 P148	D144-L146 VanDerWaalsContact C-N 3.32Å; L146-P148 WeakPolarHBondContact O-CD 3.28Å
147	T	92.3	Very high	93.3	Very high	63 Å²	63	47.2 Å²	47.2	39%	0.387	25%	0.245	S	C	.	.	S	Bend	trans	-76.8	119.6	-174.1	-55.8	0	0	0	0	109.1	T143 D144	T143-T147 PolarHBondContact OG1-O 2.95Å; D144-T147 PolarHBondContact OD2-OG1 2.83Å
148	P	91.4	Very high	92.9	Very high	71 Å²	71	49.2 Å²	49.2	46%	0.461	26%	0.263	S	S	.	.			trans	-76.8	145.2	179.2	34	-36.9	0	0	0	110.9	L146 F175 A177	L146-P148 WeakPolarHBondContact O-CD 3.28Å; P148-F175 CarbonylContact C-O 3.47Å; P148-F175 VanDerWaalsContact CA-O 3.28Å; P148-F175 WeakPolarHBondContact CA-O 3.38Å; P148-F175 HydrophobicContact CB-CB 4.42Å; P148-F175 HydrophobicContact CB-CD1 3.67Å; P148-A177 HydrophobicContact CB-CB 4.46Å
149	V	92.1	Very high	92.5	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	147.1	172.5	-180	0	0	0	0	109.1	V89 I124 T143 F175 F176 A177	V89-V149 HydrophobicContact CG2-CG1 3.96Å; I124-V149 HydrophobicContact CD1-CB 4.31Å; I124-V149 HydrophobicContact CD1-CG1 4.32Å; I124-V149 HydrophobicContact CD1-CG2 3.83Å; T143-V149 HydrophobicContact CG2-CG2 4Å; V149-F175 PolarHBondContact N-O 2.99Å; V149-F176 HydrophobicContact CB-CD1 3.9Å; V149-F176 HydrophobicContact CB-CE1 3.88Å; V149-F176 HydrophobicContact CG1-CD1 4.16Å; V149-F176 HydrophobicContact CG1-CE1 3.83Å; V149-F176 CarbonylContact O-C 3.37Å; V149-F176 WeakPolarHBondContact O-CA 3.31Å; V149-F176 WeakPolarHBondContact O-CD1 3.03Å; V149-A177 PolarHBondContact O-N 2.78Å
150	D	93.1	Very high	92.3	Very high	61 Å²	61	48.1 Å²	48.1	33%	0.326	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	132.9	176.4	-78.7	-35.8	0	0	0	112	V90 N178	V90-D150 HydrophobicContact CG2-CB 3.89Å; D150-N178 PolarHBondContact OD1-ND2 2.84Å
151	S	92.6	Very high	91.9	Very high	7 Å²	7	53.8 Å²	53.8	5%	0.049	28%	0.282	C	S	.	.			trans	-63.7	136.1	175.7	175.7	0	0	0	0	112	V153 E163 A177	S151-V153 VanDerWaalsContact OG-CG2 3.27Å; S151-V153 WeakPolarHBondContact OG-CG2 3.49Å; S151-V153 PolarHBondContact OG-N 2.88Å; S151-E163 VanDerWaalsContact CB-OE2 3.22Å; S151-E163 WeakPolarHBondContact CB-OE2 3.17Å; S151-E163 PolarHBondContact OG-OE2 3.01Å; S151-A177 WeakPolarHBondContact CB-O 3.37Å; S151-A177 PolarHBondContact N-O 2.84Å
152	S	92.1	Very high	91.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.293	C	S	.	.			trans	-92.8	3.9	178.1	71.3	0	0	0	0	113.7	S154 V155 H156 A159 E163	S152-S154 PolarHBondContact O-N 3.42Å; S152-V155 PolarHBondContact O-N 2.89Å; S152-H156 PolarHBondContact O-N 3.1Å; S152-A159 WeakPolarHBondContact OG-CB 2.95Å; S152-E163 WeakPolarHBondContact CA-OE1 3.39Å; S152-E163 WeakPolarHBondContact CB-OE1 3.47Å; S152-E163 PolarHBondContact N-OE1 2.99Å; S152-E163 PolarHBondContact OG-OE1 3.16Å
153	V	93	Very high	91.1	Very high	25 Å²	25	53.6 Å²	53.6	15%	0.152	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-33.9	-179.1	173.7	0	0	0	0	113.1	S151 V155 H156 A159 N160 P180	S151-V153 VanDerWaalsContact OG-CG2 3.27Å; S151-V153 WeakPolarHBondContact OG-CG2 3.49Å; S151-V153 PolarHBondContact OG-N 2.88Å; V153-V155 VanDerWaalsContact C-N 3.28Å; V153-V155 PolarHBondContact O-N 3.43Å; V153-H156 WeakPolarHBondContact CA-O 3.24Å; V153-H156 CarbonylContact O-C 3.22Å; V153-A159 HydrophobicContact CG2-CB 4.26Å; V153-N160 HydrophobicContact CG1-CB 4.25Å; V153-N160 HydrophobicContact CG2-CB 3.97Å; V153-P180 HydrophobicContact CG1-CG 4.33Å
154	S	92.6	Very high	90.5	Very high	95 Å²	95	54.8 Å²	54.8	66%	0.664	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-34	176.7	61.2	0	0	0	0	112.3	S152	S152-S154 PolarHBondContact O-N 3.42Å
155	V	93.3	Very high	89.1	Confident	9 Å²	9	55.2 Å²	55.2	6%	0.055	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-52.9	179.1	-171	0	0	0	0	110.1	V90 L93 T94 K97 S152 V153	V90-V155 HydrophobicContact CG1-CG2 4.05Å; L93-V155 HydrophobicContact CB-CG1 4.09Å; L93-V155 HydrophobicContact CB-CG2 4.44Å; T94-V155 WeakPolarHBondContact OG1-CG2 3.5Å; K97-V155 HydrophobicContact CB-CG1 4.29Å; K97-V155 HydrophobicContact CD-CG1 3.69Å; K97-V155 PolarHBondContact NZ-O 3.2Å; S152-V155 PolarHBondContact O-N 2.89Å; V153-V155 VanDerWaalsContact C-N 3.28Å; V153-V155 PolarHBondContact O-N 3.43Å
156	H	92.1	Very high	87.4	Confident	10 Å²	10	55.6 Å²	55.6	5%	0.046	29%	0.287	C	S	.	.			trans	-122.7	110.9	-179.5	-65	-81.6	0	0	0	110.3	F104 R105 M107 S152 V153 A158 A159	F104-H156 PolarHBondContact O-CE1 2.93Å; R105-H156 PolarHBondContact O-CE1 2.81Å; R105-H156 PolarHBondContact O-ND1 2.98Å; M107-H156 HydrophobicContact CB-CB 4.09Å; M107-H156 HydrophobicContact CE-CB 3.61Å; M107-H156 VanDerWaalsContact CE-CD2 3.46Å; M107-H156 WeakPolarHBondContact CE-CD2 3.32Å; M107-H156 HydrophobicContact SD-CB 3.81Å; S152-H156 PolarHBondContact O-N 3.1Å; V153-H156 WeakPolarHBondContact CA-O 3.24Å; V153-H156 CarbonylContact O-C 3.22Å; H156-A158 PolarHBondContact O-N 2.74Å; H156-A158 VanDerWaalsContact O-N 3.1Å; H156-A159 WeakPolarHBondContact O-CB 3.27Å; H156-A159 PolarHBondContact O-N 3.08Å
157	K	91.3	Very high	85.6	Confident	188 Å²	188	47.8 Å²	47.8	82%	0.817	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-24.8	177.1	-64.7	-171.6	177.7	-173.3	0	113.5	A159 N160	K157-A159 PolarHBondContact O-N 2.67Å; K157-N160 PolarHBondContact O-N 3.49Å
158	A	89	Confident	84.1	Confident	48 Å²	48	44.8 Å²	44.8	40%	0.397	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-30.6	175.1	0	0	0	0	0	112.3	H156 N160 W161 Y162	H156-A158 PolarHBondContact O-N 2.74Å; H156-A158 VanDerWaalsContact O-N 3.1Å; A158-N160 PolarHBondContact O-N 3.06Å; A158-N160 VanDerWaalsContact O-N 3.1Å; A158-W161 PolarHBondContact O-N 2.67Å; A158-Y162 HydrophobicContact CB-CE2 4.5Å; A158-Y162 VanDerWaalsContact O-CD2 3.3Å; A158-Y162 WeakPolarHBondContact O-CD2 3.02Å
159	A	89.3	Confident	83.4	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.3	-21.6	-178.9	0	0	0	0	0	113.5	M107 L110 S152 V153 H156 K157 W161 Y162 E163	M107-A159 HydrophobicContact CE-CB 4.3Å; M107-A159 HydrophobicContact SD-CB 3.74Å; L110-A159 HydrophobicContact CD2-CB 4.19Å; S152-A159 WeakPolarHBondContact OG-CB 2.95Å; V153-A159 HydrophobicContact CG2-CB 4.26Å; H156-A159 WeakPolarHBondContact O-CB 3.27Å; H156-A159 PolarHBondContact O-N 3.08Å; K157-A159 PolarHBondContact O-N 2.67Å; A159-W161 PolarHBondContact O-N 2.75Å; A159-Y162 PolarHBondContact O-N 2.79Å; A159-E163 HydrophobicContact CB-CG 4.27Å; A159-E163 WeakPolarHBondContact CB-OE1 3.2Å; A159-E163 VanDerWaalsContact O-CB 3.31Å; A159-E163 WeakPolarHBondContact O-CB 3.25Å; A159-E163 VanDerWaalsContact O-CG 3.24Å; A159-E163 WeakPolarHBondContact O-CG 3.26Å; A159-E163 PolarHBondContact O-N 2.8Å
160	N	90.8	Very high	83.1	Confident	38 Å²	38	45.2 Å²	45.2	20%	0.203	22%	0.22	C	C	.	.	H	α-helix	trans	-59.1	-33.3	-177.7	-177.9	20.7	0	0	0	112.7	V153 K157 A158 R164 H179	V153-N160 HydrophobicContact CG1-CB 4.25Å; V153-N160 HydrophobicContact CG2-CB 3.97Å; K157-N160 PolarHBondContact O-N 3.49Å; A158-N160 PolarHBondContact O-N 3.06Å; A158-N160 VanDerWaalsContact O-N 3.1Å; N160-R164 VanDerWaalsContact O-CD 3.22Å; N160-R164 WeakPolarHBondContact O-CD 3.31Å; N160-R164 WeakPolarHBondContact O-CG 3.26Å; N160-R164 PolarHBondContact O-NE 3.31Å; N160-R164 VanDerWaalsContact O-NE 3.16Å; N160-R164 VanDerWaalsContact OD1-CZ 3.29Å; N160-R164 PolarHBondContact OD1-NE 2.7Å; N160-R164 PolarHBondContact OD1-NH2 2.95Å; N160-H179 PolarHBondContact O-NE2 2.95Å; N160-H179 PolarHBondContact OD1-CE1 3.26Å; N160-H179 VanDerWaalsContact OD1-CE1 3.27Å; N160-H179 PolarHBondContact OD1-NE2 3Å; N160-H179 VanDerWaalsContact OD1-NE2 3.1Å
161	W	88.5	Confident	83	Confident	152 Å²	152	42.7 Å²	42.7	58%	0.576	21%	0.207	S	C	*	.	H	α-helix	trans	-82.5	-45.9	175.4	-76.2	71.3	0	0	0	111	A158 A159 E163 R164 E165 I185	A158-W161 PolarHBondContact O-N 2.67Å; A159-W161 PolarHBondContact O-N 2.75Å; W161-E163 VanDerWaalsContact C-N 3.34Å; W161-E163 PolarHBondContact O-N 2.86Å; W161-R164 WeakPolarHBondContact O-CB 2.94Å; W161-R164 PolarHBondContact O-N 3.16Å; W161-E165 VanDerWaalsContact O-CB 3.23Å; W161-E165 WeakPolarHBondContact O-CB 3.14Å; W161-E165 PolarHBondContact O-N 3.05Å; W161-I185 HydrophobicContact CE3-CD1 3.55Å; W161-I185 HydrophobicContact CH2-CD1 4.29Å; W161-I185 HydrophobicContact CZ3-CD1 3.41Å; W161-I185 VanDerWaalsContact CZ3-CD1 3.41Å
162	Y	88.1	Confident	82.8	Confident	63 Å²	63	43.5 Å²	43.5	25%	0.247	21%	0.209	C	C	.	.	H	α-helix	trans	-60.5	-40.7	-179.4	-66.4	-72.4	0	0	0	113.9	I108 L110 A158 A159 R164 E166 Q167	I108-Y162 PolarHBondContact O-OH 3.27Å; L110-Y162 VanDerWaalsContact CB-CB 3.41Å; L110-Y162 HydrophobicContact CB-CD1 4.2Å; L110-Y162 HydrophobicContact CB-CD2 4.48Å; L110-Y162 HydrophobicContact CB-CG 3.81Å; A158-Y162 HydrophobicContact CB-CE2 4.5Å; A158-Y162 VanDerWaalsContact O-CD2 3.3Å; A158-Y162 WeakPolarHBondContact O-CD2 3.02Å; A159-Y162 PolarHBondContact O-N 2.79Å; Y162-R164 PolarHBondContact O-N 3.24Å; Y162-E166 PolarHBondContact O-N 3.19Å; Y162-Q167 VanDerWaalsContact O-CB 3.23Å; Y162-Q167 WeakPolarHBondContact O-CB 3.32Å; Y162-Q167 PolarHBondContact O-N 2.78Å
163	E	84.9	Confident	82.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-24.2	178.1	-67.4	-178.4	-167	0	0	112.3	L110 S151 S152 A159 W161 F176 H179	L110-E163 HydrophobicContact CD2-CG 3.65Å; S151-E163 VanDerWaalsContact CB-OE2 3.22Å; S151-E163 WeakPolarHBondContact CB-OE2 3.17Å; S151-E163 PolarHBondContact OG-OE2 3.01Å; S152-E163 WeakPolarHBondContact CA-OE1 3.39Å; S152-E163 WeakPolarHBondContact CB-OE1 3.47Å; S152-E163 PolarHBondContact N-OE1 2.99Å; S152-E163 PolarHBondContact OG-OE1 3.16Å; A159-E163 HydrophobicContact CB-CG 4.27Å; A159-E163 WeakPolarHBondContact CB-OE1 3.2Å; A159-E163 VanDerWaalsContact O-CB 3.31Å; A159-E163 WeakPolarHBondContact O-CB 3.25Å; A159-E163 VanDerWaalsContact O-CG 3.24Å; A159-E163 WeakPolarHBondContact O-CG 3.26Å; A159-E163 PolarHBondContact O-N 2.8Å; W161-E163 VanDerWaalsContact C-N 3.34Å; W161-E163 PolarHBondContact O-N 2.86Å; E163-F176 HydrophobicContact CB-CD2 3.58Å; E163-F176 HydrophobicContact CB-CE2 3.64Å; E163-F176 HydrophobicContact CB-CG 4.44Å; E163-F176 HydrophobicContact CG-CD2 3.74Å; E163-F176 HydrophobicContact CG-CE2 3.47Å; E163-F176 VanDerWaalsContact CG-CE2 3.47Å; E163-F176 HydrophobicContact CG-CG 4.36Å; E163-F176 HydrophobicContact CG-CZ 3.97Å; E163-H179 IonicContact OE2-CD2 3.2Å; E163-H179 PolarHBondContact OE2-CD2 3.2Å
164	R	82.4	Confident	82.5	Confident	28 Å²	28	42.6 Å²	42.6	11%	0.106	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-51.1	173.6	-64.1	172.7	-163.7	-130.7	-5.4	113.3	N160 W161 Y162 H179 D181 I185	N160-R164 VanDerWaalsContact O-CD 3.22Å; N160-R164 WeakPolarHBondContact O-CD 3.31Å; N160-R164 WeakPolarHBondContact O-CG 3.26Å; N160-R164 PolarHBondContact O-NE 3.31Å; N160-R164 VanDerWaalsContact O-NE 3.16Å; N160-R164 VanDerWaalsContact OD1-CZ 3.29Å; N160-R164 PolarHBondContact OD1-NE 2.7Å; N160-R164 PolarHBondContact OD1-NH2 2.95Å; W161-R164 WeakPolarHBondContact O-CB 2.94Å; W161-R164 PolarHBondContact O-N 3.16Å; Y162-R164 PolarHBondContact O-N 3.24Å; R164-H179 PolarHBondContact NE-CE1 2.58Å; R164-D181 IonicContact CZ-OD2 3.48Å; R164-D181 PolarHBondContact NE-O 3.05Å; R164-D181 VanDerWaalsContact NE-O 3.08Å; R164-D181 PolarHBondContact NH1-O 2.97Å; R164-D181 IonicContact NH1-OD2 3.97Å; R164-D181 PolarHBondContact NH1-OD2 2.79Å; R164-D181 PolarHBondContact NH2-O 2.75Å; R164-D181 VanDerWaalsContact NH2-O 3.14Å; R164-D181 IonicContact NH2-OD2 3.51Å; R164-I185 HydrophobicContact CB-CG2 4.2Å
165	E	62.7	Low	82.5	Confident	62 Å²	62	42.6 Å²	42.6	29%	0.29	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-58.8	-159.2	-162.6	174.4	-157.1	0	0	112.7	W161 I185 L186	W161-E165 VanDerWaalsContact O-CB 3.23Å; W161-E165 WeakPolarHBondContact O-CB 3.14Å; W161-E165 PolarHBondContact O-N 3.05Å; E165-I185 HydrophobicContact CB-CD1 4.26Å; E165-I185 HydrophobicContact CB-CG2 3.48Å; E165-I185 VanDerWaalsContact CB-CG2 3.48Å; E165-I185 HydrophobicContact CG-CB 4.5Å; E165-I185 HydrophobicContact CG-CD1 4.07Å; E165-I185 HydrophobicContact CG-CG1 4.17Å; E165-I185 HydrophobicContact CG-CG2 3.58Å; E165-L186 HydrophobicContact CG-CD1 3.92Å; E165-L186 HydrophobicContact CG-CD2 3.49Å; E165-L186 VanDerWaalsContact CG-CD2 3.49Å; E165-L186 HydrophobicContact CG-CG 3.48Å; E165-L186 VanDerWaalsContact CG-CG 3.48Å; E165-L186 VanDerWaalsContact O-CD1 3.32Å; E165-L186 WeakPolarHBondContact O-CD1 3.4Å; E165-L186 WeakPolarHBondContact OE1-CD2 3.45Å
166	E	52.8	Low	82.3	Confident	82 Å²	82	42.3 Å²	42.3	38%	0.383	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-35.7	-166.8	-158.2	174.4	-172.7	0	0	111.7	Y162	Y162-E166 PolarHBondContact O-N 3.19Å
167	Q	52.9	Low	82.3	Confident	0 Å²	0	43 Å²	43	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-100.2	-33.1	-152.8	-148.3	-171.8	27.5	0	0	115.4	L110 T111 A112 V125 Y162 Y172	L110-Q167 VanDerWaalsContact C-CG 3.44Å; L110-Q167 HydrophobicContact CB-CB 4.34Å; L110-Q167 HydrophobicContact CB-CG 4.13Å; L110-Q167 VanDerWaalsContact CB-NE2 3.28Å; L110-Q167 WeakPolarHBondContact O-CB 3.22Å; L110-Q167 WeakPolarHBondContact O-CG 3.17Å; L110-Q167 PolarHBondContact O-NE2 2.86Å; T111-Q167 PolarHBondContact O-NE2 2.99Å; A112-Q167 HydrophobicContact CB-CG 3.95Å; A112-Q167 WeakPolarHBondContact CB-O 3.24Å; V125-Q167 PolarHBondContact O-NE2 3.35Å; V125-Q167 VanDerWaalsContact O-NE2 3.14Å; Y162-Q167 VanDerWaalsContact O-CB 3.23Å; Y162-Q167 WeakPolarHBondContact O-CB 3.32Å; Y162-Q167 PolarHBondContact O-N 2.78Å; Q167-Y172 WeakPolarHBondContact O-CD2 3.29Å
168	V	61.3	Low	82.2	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-148	-60	-156.6	150.6	0	0	0	0	112.7	I124 Y172 G173 V174 F176	I124-V168 HydrophobicContact CD1-CG2 4.16Å; I124-V168 HydrophobicContact CG1-CG2 4.34Å; V168-Y172 CarbonylContact O-C 3.56Å; V168-Y172 PolarHBondContact O-N 3.48Å; V168-G173 CarbonylContact O-C 3.28Å; V168-G173 VanDerWaalsContact O-CA 3.27Å; V168-G173 WeakPolarHBondContact O-CA 3.32Å; V168-G173 PolarHBondContact O-N 3.35Å; V168-V174 CarbonylContact C-O 3.58Å; V168-V174 HydrophobicContact CB-CB 3.89Å; V168-V174 HydrophobicContact CB-CG1 4.15Å; V168-V174 HydrophobicContact CG1-CB 3.35Å; V168-V174 HydrophobicContact CG1-CG1 3.39Å; V168-V174 WeakPolarHBondContact CG1-O 3.42Å; V168-V174 HydrophobicContact CG2-CB 3.8Å; V168-V174 HydrophobicContact CG2-CG1 3.8Å; V168-V174 PolarHBondContact O-N 3.19Å; V168-F176 HydrophobicContact CB-CD2 3.7Å; V168-F176 HydrophobicContact CB-CE2 3.17Å; V168-F176 HydrophobicContact CB-CZ 3.92Å; V168-F176 HydrophobicContact CG1-CD2 3.16Å; V168-F176 HydrophobicContact CG1-CE2 3.16Å; V168-F176 HydrophobicContact CG1-CG 4.01Å; V168-F176 HydrophobicContact CG1-CZ 3.95Å; V168-F176 HydrophobicContact CG2-CD2 4.18Å; V168-F176 HydrophobicContact CG2-CE2 3.26Å; V168-F176 HydrophobicContact CG2-CZ 3.44Å; V168-F176 VanDerWaalsContact CG2-CZ 3.44Å
169	W	75.9	Confident	82.3	Confident	80 Å²	80	39.6 Å²	39.6	30%	0.303	18%	0.181	S	C	.	.	H	α-helix	trans	-76.7	-56.1	-174.6	-173.8	-109.6	0	0	0	113.1	G173 V174 F175 L182 H194	W169-G173 WeakPolarHBondContact O-CA 3.2Å; W169-G173 PolarHBondContact O-N 2.89Å; W169-V174 WeakPolarHBondContact CA-O 3.49Å; W169-F175 HydrophobicContact CE3-CD2 4Å; W169-F175 HydrophobicContact CH2-CD2 4.33Å; W169-F175 HydrophobicContact CZ3-CB 4.33Å; W169-F175 AromaticContact CZ3-CD2 3.65Å; W169-F175 HydrophobicContact CZ3-CD2 3.65Å; W169-F175 HydrophobicContact CZ3-CG 4.49Å; W169-L182 HydrophobicContact CB-CD1 4.5Å; W169-L182 HydrophobicContact CB-CD2 3.72Å; W169-L182 HydrophobicContact CB-CG 4.07Å; W169-L182 HydrophobicContact CD2-CD2 3.48Å; W169-L182 VanDerWaalsContact CD2-CD2 3.48Å; W169-L182 HydrophobicContact CE3-CD2 3.78Å; W169-L182 HydrophobicContact CG-CD2 3.45Å; W169-L182 VanDerWaalsContact CG-CD2 3.45Å; W169-L182 HydrophobicContact CG-CG 4.19Å; W169-H194 PolarHBondContact O-CE1 3.44Å; W169-H194 PolarHBondContact O-ND1 3.22Å
170	D	86.9	Confident	82.4	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-73.7	-48.4	-170.8	-156.2	8.6	0	0	0	112.1	R184 I185 L186 T187 H194	D170-R184 WeakPolarHBondContact OD1-CG 3.43Å; D170-I185 PolarHBondContact OD2-N 2.71Å; D170-L186 PolarHBondContact OD2-N 2.82Å; D170-T187 VanDerWaalsContact CG-OG1 3.29Å; D170-T187 WeakPolarHBondContact OD1-CB 2.93Å; D170-T187 WeakPolarHBondContact OD1-CG2 3.46Å; D170-T187 PolarHBondContact OD1-OG1 3.06Å; D170-T187 PolarHBondContact OD2-N 2.62Å; D170-T187 PolarHBondContact OD2-OG1 3.5Å; D170-H194 PolarHBondContact O-ND1 3.32Å
171	M	89.8	Confident	82.3	Confident	9 Å²	9	45.2 Å²	45.2	4%	0.044	22%	0.216	C	C	.	.	H	α-helix	trans	-81.6	-37.1	-174.1	-66.6	-59.3	99.5	0	0	115.1	L186 T187 H194 P195 F196	M171-L186 HydrophobicContact CE-CB 3.87Å; M171-L186 HydrophobicContact CE-CD1 4.18Å; M171-L186 HydrophobicContact CG-CD1 4.31Å; M171-L186 HydrophobicContact SD-CD1 4.18Å; M171-T187 HydrophobicContact CE-CG2 3.51Å; M171-H194 CarbonylContact O-C 3.57Å; M171-H194 VanDerWaalsContact O-C 3.28Å; M171-H194 WeakPolarHBondContact O-CB 3.49Å; M171-P195 HydrophobicContact CE-CG 4.01Å; M171-P195 HydrophobicContact SD-CB 4.38Å; M171-P195 HydrophobicContact SD-CG 4.29Å; M171-F196 HydrophobicContact CB-CB 4.21Å; M171-F196 HydrophobicContact CB-CD2 3.74Å; M171-F196 HydrophobicContact CB-CE2 4.47Å; M171-F196 HydrophobicContact CB-CG 4.19Å; M171-F196 HydrophobicContact CG-CD2 3.77Å; M171-F196 HydrophobicContact CG-CE2 4.01Å; M171-F196 HydrophobicContact CG-CG 4.46Å; M171-F196 PolarHBondContact O-N 2.91Å; M171-F196 HydrophobicContact SD-CD1 4.49Å; M171-F196 HydrophobicContact SD-CD2 3.87Å; M171-F196 HydrophobicContact SD-CE1 4.49Å; M171-F196 HydrophobicContact SD-CE2 3.86Å; M171-F196 HydrophobicContact SD-CG 4.19Å; M171-F196 HydrophobicContact SD-CZ 4.18Å
172	Y	89.8	Confident	82.2	Confident	24 Å²	24	39.9 Å²	39.9	9%	0.094	20%	0.199	C	C	.	.	H	α-helix	trans	-118.2	-17.2	-172.6	-72.2	-79	0	0	0	114.1	A112 D114 F122 Q167 V168 V174 F196 R197	A112-Y172 HydrophobicContact CB-CD2 3.67Å; A112-Y172 HydrophobicContact CB-CE2 3.81Å; A112-Y172 HydrophobicContact CB-CG 4.12Å; A112-Y172 WeakPolarHBondContact O-CE2 3.49Å; A112-Y172 VanDerWaalsContact O-CZ 3.28Å; A112-Y172 PolarHBondContact O-OH 3Å; A112-Y172 VanDerWaalsContact O-OH 3.05Å; D114-Y172 HydrophobicContact CB-CD1 4.03Å; D114-Y172 HydrophobicContact CB-CE1 3.77Å; F122-Y172 AromaticContact CD1-CD1 3.99Å; F122-Y172 HydrophobicContact CD1-CD1 3.99Å; F122-Y172 HydrophobicContact CD1-CG 4.5Å; F122-Y172 AromaticContact CE1-CD1 3.85Å; F122-Y172 HydrophobicContact CE1-CD1 3.85Å; F122-Y172 HydrophobicContact CE1-CG 4.44Å; F122-Y172 WeakPolarHBondContact CZ-O 3.47Å; Q167-Y172 WeakPolarHBondContact O-CD2 3.29Å; V168-Y172 CarbonylContact O-C 3.56Å; V168-Y172 PolarHBondContact O-N 3.48Å; Y172-V174 VanDerWaalsContact C-N 3.34Å; Y172-F196 HydrophobicContact CD1-CB 4.34Å; Y172-F196 HydrophobicContact CD2-CB 4.47Å; Y172-F196 HydrophobicContact CE1-CB 3.79Å; Y172-F196 VanDerWaalsContact CE1-O 3.31Å; Y172-F196 WeakPolarHBondContact CE1-O 3.2Å; Y172-F196 HydrophobicContact CE2-CB 3.94Å; Y172-F196 HydrophobicContact CE2-CD2 4.14Å; Y172-R197 VanDerWaalsContact O-CZ 3.31Å; Y172-R197 PolarHBondContact O-NE 3.35Å; Y172-R197 PolarHBondContact O-NH2 2.85Å
173	G	88.4	Confident	82.2	Confident	6 Å²	6	44.1 Å²	44.1	6%	0.062	21%	0.214	C	C	.	.			trans	70	19.3	-175.7	0	0	0	0	0	116.4	V168 W169 H194	V168-G173 CarbonylContact O-C 3.28Å; V168-G173 VanDerWaalsContact O-CA 3.27Å; V168-G173 WeakPolarHBondContact O-CA 3.32Å; V168-G173 PolarHBondContact O-N 3.35Å; W169-G173 WeakPolarHBondContact O-CA 3.2Å; W169-G173 PolarHBondContact O-N 2.89Å; G173-H194 VanDerWaalsContact CA-CD2 3.47Å; G173-H194 WeakPolarHBondContact CA-CD2 3.17Å; G173-H194 WeakPolarHBondContact CA-CE1 3.32Å; G173-H194 WeakPolarHBondContact CA-NE2 3.4Å; G173-H194 PolarHBondContact N-ND1 3.11Å
174	V	90.8	Very high	82.4	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.23	C	C	.	.			trans	-71.6	151.8	168.9	168.9	0	0	0	0	108.7	F122 I124 T143 V168 W169 Y172	F122-V174 HydrophobicContact CB-CG2 3.78Å; F122-V174 HydrophobicContact CD1-CG2 4.3Å; F122-V174 HydrophobicContact CD2-CG2 3.16Å; F122-V174 HydrophobicContact CE2-CG2 3.71Å; F122-V174 HydrophobicContact CG-CG2 3.49Å; F122-V174 VanDerWaalsContact CG-CG2 3.49Å; F122-V174 HydrophobicContact CZ-CG2 4.5Å; I124-V174 HydrophobicContact CD1-CG1 4.17Å; T143-V174 HydrophobicContact CG2-CB 4.3Å; T143-V174 HydrophobicContact CG2-CG1 3.59Å; T143-V174 HydrophobicContact CG2-CG2 3.66Å; V168-V174 CarbonylContact C-O 3.58Å; V168-V174 HydrophobicContact CB-CB 3.89Å; V168-V174 HydrophobicContact CB-CG1 4.15Å; V168-V174 HydrophobicContact CG1-CB 3.35Å; V168-V174 HydrophobicContact CG1-CG1 3.39Å; V168-V174 WeakPolarHBondContact CG1-O 3.42Å; V168-V174 HydrophobicContact CG2-CB 3.8Å; V168-V174 HydrophobicContact CG2-CG1 3.8Å; V168-V174 PolarHBondContact O-N 3.19Å; W169-V174 WeakPolarHBondContact CA-O 3.49Å; Y172-V174 VanDerWaalsContact C-N 3.34Å
175	F	90.7	Very high	82.7	Confident	94 Å²	94	49.8 Å²	49.8	41%	0.412	24%	0.24	S	C	.	.			trans	-109.6	134.1	178.1	-171.6	-92.8	0	0	0	111.6	P148 V149 W169 L182	P148-F175 CarbonylContact C-O 3.47Å; P148-F175 VanDerWaalsContact CA-O 3.28Å; P148-F175 WeakPolarHBondContact CA-O 3.38Å; P148-F175 HydrophobicContact CB-CB 4.42Å; P148-F175 HydrophobicContact CB-CD1 3.67Å; V149-F175 PolarHBondContact N-O 2.99Å; W169-F175 HydrophobicContact CE3-CD2 4Å; W169-F175 HydrophobicContact CH2-CD2 4.33Å; W169-F175 HydrophobicContact CZ3-CB 4.33Å; W169-F175 AromaticContact CZ3-CD2 3.65Å; W169-F175 HydrophobicContact CZ3-CD2 3.65Å; W169-F175 HydrophobicContact CZ3-CG 4.49Å; F175-L182 HydrophobicContact CD2-CD2 4.14Å; F175-L182 HydrophobicContact CE2-CD2 4.18Å
176	F	90.6	Very high	83.9	Confident	3 Å²	3	51.3 Å²	51.3	1%	0.013	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120.2	172.1	-76	-67.3	0	0	0	112	I124 V149 E163 V168 H179 L182	I124-F176 HydrophobicContact CD1-CE1 4.38Å; I124-F176 HydrophobicContact CD1-CZ 4.32Å; V149-F176 HydrophobicContact CB-CD1 3.9Å; V149-F176 HydrophobicContact CB-CE1 3.88Å; V149-F176 HydrophobicContact CG1-CD1 4.16Å; V149-F176 HydrophobicContact CG1-CE1 3.83Å; V149-F176 CarbonylContact O-C 3.37Å; V149-F176 WeakPolarHBondContact O-CA 3.31Å; V149-F176 WeakPolarHBondContact O-CD1 3.03Å; E163-F176 HydrophobicContact CB-CD2 3.58Å; E163-F176 HydrophobicContact CB-CE2 3.64Å; E163-F176 HydrophobicContact CB-CG 4.44Å; E163-F176 HydrophobicContact CG-CD2 3.74Å; E163-F176 HydrophobicContact CG-CE2 3.47Å; E163-F176 VanDerWaalsContact CG-CE2 3.47Å; E163-F176 HydrophobicContact CG-CG 4.36Å; E163-F176 HydrophobicContact CG-CZ 3.97Å; V168-F176 HydrophobicContact CB-CD2 3.7Å; V168-F176 HydrophobicContact CB-CE2 3.17Å; V168-F176 HydrophobicContact CB-CZ 3.92Å; V168-F176 HydrophobicContact CG1-CD2 3.16Å; V168-F176 HydrophobicContact CG1-CE2 3.16Å; V168-F176 HydrophobicContact CG1-CG 4.01Å; V168-F176 HydrophobicContact CG1-CZ 3.95Å; V168-F176 HydrophobicContact CG2-CD2 4.18Å; V168-F176 HydrophobicContact CG2-CE2 3.26Å; V168-F176 HydrophobicContact CG2-CZ 3.44Å; V168-F176 VanDerWaalsContact CG2-CZ 3.44Å; F176-H179 HydrophobicContact CB-CB 4.43Å; F176-L182 HydrophobicContact CB-CD1 3.89Å; F176-L182 HydrophobicContact CD2-CD1 4.48Å
177	A	91.1	Very high	85.7	Confident	24 Å²	24	48.6 Å²	48.6	20%	0.198	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	147.6	172.4	0	0	0	0	0	111	P148 V149 S151 H179	P148-A177 HydrophobicContact CB-CB 4.46Å; V149-A177 PolarHBondContact O-N 2.78Å; S151-A177 WeakPolarHBondContact CB-O 3.37Å; S151-A177 PolarHBondContact N-O 2.84Å; A177-H179 PolarHBondContact O-N 2.7Å
178	N	90.4	Very high	87.6	Confident	141 Å²	141	53.6 Å²	53.6	75%	0.754	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	15.3	177	-51.3	-57.7	0	0	0	116	D150	D150-N178 PolarHBondContact OD1-ND2 2.84Å
179	H	89.7	Confident	89.1	Confident	24 Å²	24	64.2 Å²	64.2	11%	0.111	31%	0.307	C	S	.	.			trans	-76	137.3	174.4	-171.5	-92.5	0	0	0	111.6	N160 E163 R164 F176 A177 D181 L182	N160-H179 PolarHBondContact O-NE2 2.95Å; N160-H179 PolarHBondContact OD1-CE1 3.26Å; N160-H179 VanDerWaalsContact OD1-CE1 3.27Å; N160-H179 PolarHBondContact OD1-NE2 3Å; N160-H179 VanDerWaalsContact OD1-NE2 3.1Å; E163-H179 IonicContact OE2-CD2 3.2Å; E163-H179 PolarHBondContact OE2-CD2 3.2Å; R164-H179 PolarHBondContact NE-CE1 2.58Å; F176-H179 HydrophobicContact CB-CB 4.43Å; A177-H179 PolarHBondContact O-N 2.7Å; H179-D181 VanDerWaalsContact CE1-C 3.49Å; H179-D181 PolarHBondContact CE1-O 2.99Å; H179-D181 PolarHBondContact ND1-N 3.05Å; H179-D181 PolarHBondContact ND1-O 2.78Å; H179-D181 PolarHBondContact O-N 3.04Å; H179-L182 HydrophobicContact CB-CB 4.35Å; H179-L182 HydrophobicContact CB-CD1 3.95Å; H179-L182 PolarHBondContact ND1-N 3.39Å
180	P	91.1	Very high	89.7	Confident	91 Å²	91	63.3 Å²	63.3	59%	0.591	32%	0.323	S	S	*	.	S	Bend	trans	-67.9	-34	-173.7	24.1	-34.8	0	0	0	115.1	V153	V153-P180 HydrophobicContact CG1-CG 4.33Å
181	D	88.6	Confident	90	Very high	66 Å²	66	66 Å²	66	35%	0.353	33%	0.334	S	S	.	.			trans	-157.6	88.7	177.4	163.1	36.9	0	0	0	109.8	R164 H179 R183	R164-D181 IonicContact CZ-OD2 3.48Å; R164-D181 PolarHBondContact NE-O 3.05Å; R164-D181 VanDerWaalsContact NE-O 3.08Å; R164-D181 PolarHBondContact NH1-O 2.97Å; R164-D181 IonicContact NH1-OD2 3.97Å; R164-D181 PolarHBondContact NH1-OD2 2.79Å; R164-D181 PolarHBondContact NH2-O 2.75Å; R164-D181 VanDerWaalsContact NH2-O 3.14Å; R164-D181 IonicContact NH2-OD2 3.51Å; H179-D181 VanDerWaalsContact CE1-C 3.49Å; H179-D181 PolarHBondContact CE1-O 2.99Å; H179-D181 PolarHBondContact ND1-N 3.05Å; H179-D181 PolarHBondContact ND1-O 2.78Å; H179-D181 PolarHBondContact O-N 3.04Å; D181-R183 IonicContact OD2-CZ 3.94Å; D181-R183 IonicContact OD2-NE 3.91Å; D181-R183 IonicContact OD2-NH1 3.43Å
182	L	86.8	Confident	89.9	Confident	40 Å²	40	73.5 Å²	73.5	21%	0.209	37%	0.369	C	S	.	.			trans	-89.2	110.7	-178.9	-163.4	117.1	0	0	0	109.1	W169 F175 F176 H179	W169-L182 HydrophobicContact CB-CD1 4.5Å; W169-L182 HydrophobicContact CB-CD2 3.72Å; W169-L182 HydrophobicContact CB-CG 4.07Å; W169-L182 HydrophobicContact CD2-CD2 3.48Å; W169-L182 VanDerWaalsContact CD2-CD2 3.48Å; W169-L182 HydrophobicContact CE3-CD2 3.78Å; W169-L182 HydrophobicContact CG-CD2 3.45Å; W169-L182 VanDerWaalsContact CG-CD2 3.45Å; W169-L182 HydrophobicContact CG-CG 4.19Å; F175-L182 HydrophobicContact CD2-CD2 4.14Å; F175-L182 HydrophobicContact CE2-CD2 4.18Å; F176-L182 HydrophobicContact CB-CD1 3.89Å; F176-L182 HydrophobicContact CD2-CD1 4.48Å; H179-L182 HydrophobicContact CB-CB 4.35Å; H179-L182 HydrophobicContact CB-CD1 3.95Å; H179-L182 PolarHBondContact ND1-N 3.39Å
183	R	88.4	Confident	90	Very high	151 Å²	151	73.9 Å²	73.9	57%	0.57	38%	0.381	S	S	*	.			trans	-150.7	165.3	-179	67.6	179.7	-167	-171.3	0	110.6	D181	D181-R183 IonicContact OD2-CZ 3.94Å; D181-R183 IonicContact OD2-NE 3.91Å; D181-R183 IonicContact OD2-NH1 3.43Å
184	R	88.3	Confident	90.1	Very high	88 Å²	88	75.4 Å²	75.4	33%	0.332	39%	0.386	S	S	.	.			trans	-66.8	155.4	173.9	-59.6	177	-179.6	177.3	-10.1	111.7	D170 Y189 F191	D170-R184 WeakPolarHBondContact OD1-CG 3.43Å; R184-Y189 PolarHBondContact NH1-O 2.78Å; R184-F191 PolarHBondContact NH1-O 2.99Å; R184-F191 PolarHBondContact NH2-O 2.84Å
185	I	88.9	Confident	90.2	Very high	60 Å²	60	77 Å²	77	31%	0.308	40%	0.397	S	S	.	.	S	Bend	trans	-152.4	-33.7	-175.8	176.8	169.6	0	0	0	113.2	W161 R164 E165 D170	W161-I185 HydrophobicContact CE3-CD1 3.55Å; W161-I185 HydrophobicContact CH2-CD1 4.29Å; W161-I185 HydrophobicContact CZ3-CD1 3.41Å; W161-I185 VanDerWaalsContact CZ3-CD1 3.41Å; R164-I185 HydrophobicContact CB-CG2 4.2Å; E165-I185 HydrophobicContact CB-CD1 4.26Å; E165-I185 HydrophobicContact CB-CG2 3.48Å; E165-I185 VanDerWaalsContact CB-CG2 3.48Å; E165-I185 HydrophobicContact CG-CB 4.5Å; E165-I185 HydrophobicContact CG-CD1 4.07Å; E165-I185 HydrophobicContact CG-CG1 4.17Å; E165-I185 HydrophobicContact CG-CG2 3.58Å; D170-I185 PolarHBondContact OD2-N 2.71Å
186	L	89.6	Confident	90.3	Very high	94 Å²	94	77.8 Å²	77.8	49%	0.492	40%	0.4	S	S	.	.	S	Bend	trans	-93.1	-38.6	177.4	-65.9	-176.6	0	0	0	111.8	E165 D170 M171	E165-L186 HydrophobicContact CG-CD1 3.92Å; E165-L186 HydrophobicContact CG-CD2 3.49Å; E165-L186 VanDerWaalsContact CG-CD2 3.49Å; E165-L186 HydrophobicContact CG-CG 3.48Å; E165-L186 VanDerWaalsContact CG-CG 3.48Å; E165-L186 VanDerWaalsContact O-CD1 3.32Å; E165-L186 WeakPolarHBondContact O-CD1 3.4Å; E165-L186 WeakPolarHBondContact OE1-CD2 3.45Å; D170-L186 PolarHBondContact OD2-N 2.82Å; M171-L186 HydrophobicContact CE-CB 3.87Å; M171-L186 HydrophobicContact CE-CD1 4.18Å; M171-L186 HydrophobicContact CG-CD1 4.31Å; M171-L186 HydrophobicContact SD-CD1 4.18Å
187	T	90.4	Very high	90.4	Very high	24 Å²	24	79.4 Å²	79.4	15%	0.147	41%	0.406	C	S	.	.	S	Bend	trans	-78.6	160.7	-179	63.4	0	0	0	0	112.1	D170 M171 F191 P195	D170-T187 VanDerWaalsContact CG-OG1 3.29Å; D170-T187 WeakPolarHBondContact OD1-CB 2.93Å; D170-T187 WeakPolarHBondContact OD1-CG2 3.46Å; D170-T187 PolarHBondContact OD1-OG1 3.06Å; D170-T187 PolarHBondContact OD2-N 2.62Å; D170-T187 PolarHBondContact OD2-OG1 3.5Å; M171-T187 HydrophobicContact CE-CG2 3.51Å; T187-F191 HydrophobicContact CG2-CD1 3.73Å; T187-F191 HydrophobicContact CG2-CE1 4.09Å; T187-F191 HydrophobicContact CG2-CG 4.19Å; T187-P195 HydrophobicContact CG2-CG 3.91Å
188	D	92.8	Very high	90.5	Very high	106 Å²	106	85 Å²	85	57%	0.567	43%	0.426	S	S	*	.			trans	-62.9	154.4	172.3	-169.2	18.1	0	0	0	111.2	G190 F191	D188-G190 VanDerWaalsContact C-N 3.27Å; D188-G190 PolarHBondContact O-N 3.21Å; D188-F191 HydrophobicContact CB-CB 4.42Å; D188-F191 WeakPolarHBondContact O-CB 3.49Å; D188-F191 PolarHBondContact O-N 2.95Å
189	Y	91.4	Very high	90.6	Very high	222 Å²	222	82.5 Å²	82.5	87%	0.871	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-39.7	-173.5	-64	-76.8	0	0	0	112.8	R184	R184-Y189 PolarHBondContact NH1-O 2.78Å
190	G	89.9	Confident	90.8	Very high	62 Å²	62	83 Å²	83	64%	0.639	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	11.9	179.7	0	0	0	0	0	114.7	D188	D188-G190 VanDerWaalsContact C-N 3.27Å; D188-G190 PolarHBondContact O-N 3.21Å
191	F	91.3	Very high	91	Very high	58 Å²	58	80.9 Å²	80.9	25%	0.254	40%	0.401	S	S	.	.			trans	-65.5	139.5	-174.1	-168.4	-99.8	0	0	0	112	R184 T187 D188 G193 P195 F200	R184-F191 PolarHBondContact NH1-O 2.99Å; R184-F191 PolarHBondContact NH2-O 2.84Å; T187-F191 HydrophobicContact CG2-CD1 3.73Å; T187-F191 HydrophobicContact CG2-CE1 4.09Å; T187-F191 HydrophobicContact CG2-CG 4.19Å; D188-F191 HydrophobicContact CB-CB 4.42Å; D188-F191 WeakPolarHBondContact O-CB 3.49Å; D188-F191 PolarHBondContact O-N 2.95Å; F191-G193 WeakPolarHBondContact CD1-O 3.36Å; F191-G193 WeakPolarHBondContact CE1-O 2.96Å; F191-P195 HydrophobicContact CE1-CG 3.62Å; F191-P195 HydrophobicContact CZ-CG 3.88Å; F191-F200 HydrophobicContact CE1-CE2 4.43Å; F191-F200 HydrophobicContact CE1-CZ 4.25Å; F191-F200 HydrophobicContact CE2-CZ 4.44Å; F191-F200 HydrophobicContact CZ-CE1 4.28Å; F191-F200 HydrophobicContact CZ-CE2 4.14Å; F191-F200 AromaticContact CZ-CZ 3.55Å; F191-F200 HydrophobicContact CZ-CZ 3.55Å
192	E	89.2	Confident	91.2	Very high	165 Å²	165	84.4 Å²	84.4	77%	0.771	42%	0.418	S	S	*	.			trans	-116.5	125.4	176.8	-67.5	-173.8	175.3	0	0	109.8
193	G	90.4	Very high	91.4	Very high	33 Å²	33	85.1 Å²	85.1	34%	0.34	43%	0.427	S	S	.	.	S	Bend	trans	103.8	-179.5	-177.3	0	0	0	0	0	114.2	F191	F191-G193 WeakPolarHBondContact CD1-O 3.36Å; F191-G193 WeakPolarHBondContact CE1-O 2.96Å
194	H	92.6	Very high	91.6	Very high	38 Å²	38	78.5 Å²	78.5	18%	0.176	41%	0.406	C	S	.	.			trans	-126.2	105.4	-172.7	-68.6	-57.4	0	0	0	109.2	W169 D170 M171 G173 F196 R197	W169-H194 PolarHBondContact O-CE1 3.44Å; W169-H194 PolarHBondContact O-ND1 3.22Å; D170-H194 PolarHBondContact O-ND1 3.32Å; M171-H194 CarbonylContact O-C 3.57Å; M171-H194 VanDerWaalsContact O-C 3.28Å; M171-H194 WeakPolarHBondContact O-CB 3.49Å; G173-H194 VanDerWaalsContact CA-CD2 3.47Å; G173-H194 WeakPolarHBondContact CA-CD2 3.17Å; G173-H194 WeakPolarHBondContact CA-CE1 3.32Å; G173-H194 WeakPolarHBondContact CA-NE2 3.4Å; G173-H194 PolarHBondContact N-ND1 3.11Å; H194-F196 VanDerWaalsContact C-N 3.33Å; H194-F196 PolarHBondContact O-N 3.2Å; H194-R197 HydrophobicContact CB-CG 3.83Å; H194-R197 PolarHBondContact O-N 3.07Å
195	P	92.1	Very high	91.9	Very high	34 Å²	34	80.9 Å²	80.9	22%	0.221	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-31.6	-165.1	-28.1	34.5	0	0	0	116.4	M171 T187 F191 F200	M171-P195 HydrophobicContact CE-CG 4.01Å; M171-P195 HydrophobicContact SD-CB 4.38Å; M171-P195 HydrophobicContact SD-CG 4.29Å; T187-P195 HydrophobicContact CG2-CG 3.91Å; F191-P195 HydrophobicContact CE1-CG 3.62Å; F191-P195 HydrophobicContact CZ-CG 3.88Å; P195-F200 HydrophobicContact CB-CD1 4.46Å
196	F	92.6	Very high	92.2	Very high	110 Å²	110	82 Å²	82	48%	0.482	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	2.6	-173.6	-70.8	-14.7	0	0	0	114.3	M171 Y172 H194	M171-F196 HydrophobicContact CB-CB 4.21Å; M171-F196 HydrophobicContact CB-CD2 3.74Å; M171-F196 HydrophobicContact CB-CE2 4.47Å; M171-F196 HydrophobicContact CB-CG 4.19Å; M171-F196 HydrophobicContact CG-CD2 3.77Å; M171-F196 HydrophobicContact CG-CE2 4.01Å; M171-F196 HydrophobicContact CG-CG 4.46Å; M171-F196 PolarHBondContact O-N 2.91Å; M171-F196 HydrophobicContact SD-CD1 4.49Å; M171-F196 HydrophobicContact SD-CD2 3.87Å; M171-F196 HydrophobicContact SD-CE1 4.49Å; M171-F196 HydrophobicContact SD-CE2 3.86Å; M171-F196 HydrophobicContact SD-CG 4.19Å; M171-F196 HydrophobicContact SD-CZ 4.18Å; Y172-F196 HydrophobicContact CD1-CB 4.34Å; Y172-F196 HydrophobicContact CD2-CB 4.47Å; Y172-F196 HydrophobicContact CE1-CB 3.79Å; Y172-F196 VanDerWaalsContact CE1-O 3.31Å; Y172-F196 WeakPolarHBondContact CE1-O 3.2Å; Y172-F196 HydrophobicContact CE2-CB 3.94Å; Y172-F196 HydrophobicContact CE2-CD2 4.14Å; H194-F196 VanDerWaalsContact C-N 3.33Å; H194-F196 PolarHBondContact O-N 3.2Å
197	R	92.5	Very high	92.4	Very high	37 Å²	37	80.6 Å²	80.6	14%	0.14	42%	0.416	C	S	.	.	S	Bend	trans	-65.6	141.7	165.3	-61.5	-173.2	176.5	-159	-5.1	110	D114 F122 E145 Y172 H194 D199 F200	D114-R197 WeakPolarHBondContact OD2-CA 3.3Å; F122-R197 HydrophobicContact CE1-CG 4.35Å; F122-R197 HydrophobicContact CZ-CG 4.35Å; E145-R197 IonicContact OE1-NH1 2.71Å; E145-R197 IonicContact OE2-CZ 3.91Å; E145-R197 IonicContact OE2-NH1 3.79Å; E145-R197 PolarHBondContact OE2-NH1 2.86Å; E145-R197 IonicContact OE2-NH2 4Å; Y172-R197 VanDerWaalsContact O-CZ 3.31Å; Y172-R197 PolarHBondContact O-NE 3.35Å; Y172-R197 PolarHBondContact O-NH2 2.85Å; H194-R197 HydrophobicContact CB-CG 3.83Å; H194-R197 PolarHBondContact O-N 3.07Å; R197-D199 WeakPolarHBondContact CB-OD1 3.43Å; R197-D199 PolarHBondContact O-N 3.19Å; R197-F200 WeakPolarHBondContact O-CB 3.43Å; R197-F200 PolarHBondContact O-N 2.89Å; R197-F200 VanDerWaalsContact O-N 3.11Å
198	K	92.8	Very high	92.7	Very high	141 Å²	141	84 Å²	84	61%	0.613	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-13.9	-174.9	-61.6	-55.1	-176.7	-169.5	0	114	D114 P116	D114-K198 HydrophobicContact CB-CG 4.12Å; D114-K198 PolarHBondContact OD2-N 3.42Å; P116-K198 HydrophobicContact CG-CB 3.82Å; P116-K198 HydrophobicContact CG-CG 4.05Å
199	D	93.3	Very high	92.8	Very high	89 Å²	89	83.2 Å²	83.2	48%	0.476	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-16.4	174.1	46.2	16.3	0	0	0	113.2	R121 R197	R121-D199 IonicContact CZ-OD2 3.5Å; R121-D199 IonicContact NH1-OD2 2.7Å; R121-D199 PolarHBondContact NH1-OD2 3.18Å; R121-D199 IonicContact NH2-OD2 3.49Å; R121-D199 PolarHBondContact NH2-OD2 3.24Å; R197-D199 WeakPolarHBondContact CB-OD1 3.43Å; R197-D199 PolarHBondContact O-N 3.19Å
200	F	93.7	Very high	93.1	Very high	35 Å²	35	79 Å²	79	15%	0.154	41%	0.409	C	S	.	.	S	Bend	trans	-74.8	131.9	-178.9	-165.7	-93	0	0	0	111.6	F191 P195 R197 Y205	F191-F200 HydrophobicContact CE1-CE2 4.43Å; F191-F200 HydrophobicContact CE1-CZ 4.25Å; F191-F200 HydrophobicContact CE2-CZ 4.44Å; F191-F200 HydrophobicContact CZ-CE1 4.28Å; F191-F200 HydrophobicContact CZ-CE2 4.14Å; F191-F200 AromaticContact CZ-CZ 3.55Å; F191-F200 HydrophobicContact CZ-CZ 3.55Å; P195-F200 HydrophobicContact CB-CD1 4.46Å; R197-F200 WeakPolarHBondContact O-CB 3.43Å; R197-F200 PolarHBondContact O-N 2.89Å; R197-F200 VanDerWaalsContact O-N 3.11Å; F200-Y205 AromaticContact CD2-CE2 3.84Å; F200-Y205 HydrophobicContact CD2-CE2 3.84Å; F200-Y205 AromaticContact CE2-CD2 3.77Å; F200-Y205 HydrophobicContact CE2-CD2 3.77Å; F200-Y205 AromaticContact CE2-CE2 3.44Å; F200-Y205 HydrophobicContact CE2-CE2 3.44Å; F200-Y205 VanDerWaalsContact CE2-CE2 3.44Å; F200-Y205 HydrophobicContact CZ-CD2 4.16Å; F200-Y205 HydrophobicContact CZ-CE2 4.18Å
201	P	94.6	Very high	93.4	Very high	46 Å²	46	77 Å²	77	30%	0.299	38%	0.384	S	S	.	.			trans	-71.1	142.8	179.1	29.4	-34.5	0	0	0	111.3	S203 G204 Y205	P201-S203 PolarHBondContact O-N 3.38Å; P201-G204 PolarHBondContact O-N 3.11Å; P201-Y205 WeakPolarHBondContact CD-OH 3.35Å; P201-Y205 HydrophobicContact CG-CD1 4.15Å; P201-Y205 HydrophobicContact CG-CE1 3.7Å; P201-Y205 HydrophobicContact CG-CE2 4.3Å
202	L	92.9	Very high	93.7	Very high	139 Å²	139	79.8 Å²	79.8	73%	0.728	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-38.8	-178.9	179.7	62.9	0	0	0	113.3	G204 F228	L202-G204 VanDerWaalsContact C-N 3.28Å; L202-G204 PolarHBondContact O-N 3.25Å; L202-F228 HydrophobicContact CD2-CD2 3.98Å; L202-F228 HydrophobicContact CD2-CE2 3.86Å; L202-F228 HydrophobicContact CD2-CG 4.38Å; L202-F228 HydrophobicContact CD2-CZ 4.14Å
203	S	92.3	Very high	94.1	Very high	55 Å²	55	80.6 Å²	80.6	39%	0.385	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-10.9	-178.7	-47	0	0	0	0	113.7	P201 L224	P201-S203 PolarHBondContact O-N 3.38Å; S203-L224 WeakPolarHBondContact OG-CD1 3.45Å
204	G	93	Very high	94.3	Very high	12 Å²	12	83.3 Å²	83.3	12%	0.124	41%	0.411	C	S	.	.			trans	68.6	-170.4	-166	0	0	0	0	0	113.1	P201 L202	P201-G204 PolarHBondContact O-N 3.11Å; L202-G204 VanDerWaalsContact C-N 3.28Å; L202-G204 PolarHBondContact O-N 3.25Å
205	Y	93.6	Very high	94.5	Very high	139 Å²	139	89 Å²	89	55%	0.545	44%	0.436	S	S	.	.	S	Bend	trans	-102.3	-19.3	-178.4	-60.6	-68.6	0	0	0	113.4	F200 P201 P221 V222	F200-Y205 AromaticContact CD2-CE2 3.84Å; F200-Y205 HydrophobicContact CD2-CE2 3.84Å; F200-Y205 AromaticContact CE2-CD2 3.77Å; F200-Y205 HydrophobicContact CE2-CD2 3.77Å; F200-Y205 AromaticContact CE2-CE2 3.44Å; F200-Y205 HydrophobicContact CE2-CE2 3.44Å; F200-Y205 VanDerWaalsContact CE2-CE2 3.44Å; F200-Y205 HydrophobicContact CZ-CD2 4.16Å; F200-Y205 HydrophobicContact CZ-CE2 4.18Å; P201-Y205 WeakPolarHBondContact CD-OH 3.35Å; P201-Y205 HydrophobicContact CG-CD1 4.15Å; P201-Y205 HydrophobicContact CG-CE1 3.7Å; P201-Y205 HydrophobicContact CG-CE2 4.3Å; Y205-P221 WeakPolarHBondContact O-CA 3.41Å; Y205-V222 PolarHBondContact O-N 3.28Å
206	V	95.3	Very high	94.7	Very high	83 Å²	83	94.6 Å²	94.6	50%	0.503	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	136.8	-167.2	176.7	0	0	0	0	109.5	A219 E220	V206-A219 HydrophobicContact CG1-CB 3.54Å; V206-E220 CarbonylContact C-O 3.49Å; V206-E220 VanDerWaalsContact CA-O 3.23Å; V206-E220 WeakPolarHBondContact CA-O 3.39Å; V206-E220 WeakPolarHBondContact CG1-O 3.39Å
207	E	94.3	Very high	94.9	Very high	64 Å²	64	93.8 Å²	93.8	30%	0.299	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	165.3	165.3	63.3	-177.7	-134.2	0	0	111.2	A219 E220 V222 E223	E207-A219 WeakPolarHBondContact O-CA 3.38Å; E207-E220 PolarHBondContact N-O 2.67Å; E207-E220 PolarHBondContact O-N 2.89Å; E207-V222 HydrophobicContact CB-CG2 3.86Å; E207-V222 HydrophobicContact CG-CG2 4.36Å; E207-E223 PolarHBondContact OE2-N 2.89Å
208	V	95.6	Very high	95	Very high	96 Å²	96	93.7 Å²	93.7	58%	0.582	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.2	-173.3	178.9	0	0	0	0	109.2	V217 V218	V208-V217 HydrophobicContact CB-CG1 4.47Å; V208-V217 HydrophobicContact CG1-CB 4.48Å; V208-V217 HydrophobicContact CG1-CG1 2.98Å; V208-V218 WeakPolarHBondContact CA-O 3.42Å
209	R	95.3	Very high	95.1	Very high	89 Å²	89	90.3 Å²	90.3	34%	0.336	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	154	174.4	68.3	172	-174.1	76.6	5.6	111.6	D211 V218 E220	R209-D211 IonicContact CZ-OD2 3.36Å; R209-D211 IonicContact NH1-OD2 2.67Å; R209-D211 PolarHBondContact NH1-OD2 2.99Å; R209-D211 IonicContact NH2-OD2 2.71Å; R209-D211 PolarHBondContact NH2-OD2 3.21Å; R209-V218 PolarHBondContact N-O 3.18Å; R209-V218 PolarHBondContact O-N 2.98Å; R209-E220 IonicContact CZ-OE1 2.7Å; R209-E220 IonicContact CZ-OE2 3.69Å; R209-E220 IonicContact NE-OE1 3.83Å; R209-E220 PolarHBondContact NE-OE1 3.21Å; R209-E220 IonicContact NE-OE2 3.67Å; R209-E220 PolarHBondContact NE-OE2 3.37Å; R209-E220 IonicContact NH2-OE1 3.54Å; R209-E220 PolarHBondContact NH2-OE1 3.47Å; R209-E220 IonicContact NH2-OE2 3.79Å
210	Y	97.3	Very high	95.1	Very high	133 Å²	133	89.2 Å²	89.2	52%	0.522	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	130.6	169.5	-178.7	-98.1	0	0	0	109.7	D212 K215 V217	Y210-D212 HydrophobicContact CE1-CB 4.18Å; Y210-K215 WeakPolarHBondContact OH-CA 3.29Å; Y210-V217 HydrophobicContact CD2-CG2 4.3Å
211	D	96.9	Very high	95.2	Very high	21 Å²	21	92.4 Å²	92.4	11%	0.112	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	117.6	174.1	-161.8	-49.5	0	0	0	109.7	R209 E213 L214 K215 R216 V218	R209-D211 IonicContact CZ-OD2 3.36Å; R209-D211 IonicContact NH1-OD2 2.67Å; R209-D211 PolarHBondContact NH1-OD2 2.99Å; R209-D211 IonicContact NH2-OD2 2.71Å; R209-D211 PolarHBondContact NH2-OD2 3.21Å; D211-E213 WeakPolarHBondContact OD1-CB 3.46Å; D211-E213 PolarHBondContact OD1-N 2.75Å; D211-L214 HydrophobicContact CB-CB 4.34Å; D211-L214 PolarHBondContact OD1-N 3.25Å; D211-K215 VanDerWaalsContact O-CA 3.26Å; D211-K215 WeakPolarHBondContact O-CA 3.43Å; D211-K215 PolarHBondContact O-N 2.88Å; D211-R216 PolarHBondContact N-O 3.48Å; D211-R216 PolarHBondContact O-N 3.05Å; D211-V218 HydrophobicContact CB-CG2 3.87Å
212	D	97.3	Very high	95.2	Very high	117 Å²	117	92.4 Å²	92.4	63%	0.626	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-29.1	-178.2	-166.6	56.4	0	0	0	112.5	Y210 K215	Y210-D212 HydrophobicContact CE1-CB 4.18Å; D212-K215 VanDerWaalsContact O-CG 3.29Å; D212-K215 WeakPolarHBondContact O-CG 3.26Å; D212-K215 PolarHBondContact O-N 2.93Å
213	E	97.3	Very high	95.2	Very high	181 Å²	181	93.4 Å²	93.4	85%	0.846	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-43.8	178.3	-59.6	-171	169	0	0	110.5	D211	D211-E213 WeakPolarHBondContact OD1-CB 3.46Å; D211-E213 PolarHBondContact OD1-N 2.75Å
214	L	96	Very high	95.3	Very high	90 Å²	90	95.1 Å²	95.1	47%	0.471	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-9.5	179.6	-61.1	179.3	0	0	0	113.4	D211 R216 V218	D211-L214 HydrophobicContact CB-CB 4.34Å; D211-L214 PolarHBondContact OD1-N 3.25Å; L214-R216 HydrophobicContact CB-CG 3.93Å; L214-R216 PolarHBondContact O-N 2.92Å; L214-V218 HydrophobicContact CD1-CG2 4.18Å
215	K	96.7	Very high	95.4	Very high	159 Å²	159	100.2 Å²	100.2	69%	0.691	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	38.9	-173.7	-59.7	-175.1	179.1	-177.4	0	113.5	Y210 D211 D212	Y210-K215 WeakPolarHBondContact OH-CA 3.29Å; D211-K215 VanDerWaalsContact O-CA 3.26Å; D211-K215 WeakPolarHBondContact O-CA 3.43Å; D211-K215 PolarHBondContact O-N 2.88Å; D212-K215 VanDerWaalsContact O-CG 3.29Å; D212-K215 WeakPolarHBondContact O-CG 3.26Å; D212-K215 PolarHBondContact O-N 2.93Å
216	R	95.9	Very high	95.5	Very high	151 Å²	151	99.6 Å²	99.6	57%	0.57	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.9	161.9	-178.4	79.8	177.9	99.9	171.9	12.2	110.9	D211 L214 V218	D211-R216 PolarHBondContact N-O 3.48Å; D211-R216 PolarHBondContact O-N 3.05Å; L214-R216 HydrophobicContact CB-CG 3.93Å; L214-R216 PolarHBondContact O-N 2.92Å; R216-V218 HydrophobicContact CG-CG2 3.9Å
217	V	95.9	Very high	95.4	Very high	93 Å²	93	102.9 Å²	102.9	56%	0.564	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	128.1	170.4	177.4	0	0	0	0	108.8	V208 Y210	V208-V217 HydrophobicContact CB-CG1 4.47Å; V208-V217 HydrophobicContact CG1-CB 4.48Å; V208-V217 HydrophobicContact CG1-CG1 2.98Å; Y210-V217 HydrophobicContact CD2-CG2 4.3Å
218	V	95.3	Very high	95.4	Very high	34 Å²	34	106.3 Å²	106.3	21%	0.206	55%	0.546	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.5	-178.4	-175.9	0	0	0	0	109.3	V208 R209 D211 L214 R216 E220	V208-V218 WeakPolarHBondContact CA-O 3.42Å; R209-V218 PolarHBondContact N-O 3.18Å; R209-V218 PolarHBondContact O-N 2.98Å; D211-V218 HydrophobicContact CB-CG2 3.87Å; L214-V218 HydrophobicContact CD1-CG2 4.18Å; R216-V218 HydrophobicContact CG-CG2 3.9Å; V218-E220 HydrophobicContact CG1-CG 4.07Å
219	A	95.4	Very high	95.5	Very high	70 Å²	70	109 Å²	109	58%	0.579	55%	0.545	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	119.8	174.6	0	0	0	0	0	109.3	V206 E207	V206-A219 HydrophobicContact CG1-CB 3.54Å; E207-A219 WeakPolarHBondContact O-CA 3.38Å
220	E	93.8	Very high	95.4	Very high	67 Å²	67	113.5 Å²	113.5	31%	0.313	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.6	158.9	-178.9	-67.2	-171.7	160.3	0	0	111	V206 E207 R209 V218	V206-E220 CarbonylContact C-O 3.49Å; V206-E220 VanDerWaalsContact CA-O 3.23Å; V206-E220 WeakPolarHBondContact CA-O 3.39Å; V206-E220 WeakPolarHBondContact CG1-O 3.39Å; E207-E220 PolarHBondContact N-O 2.67Å; E207-E220 PolarHBondContact O-N 2.89Å; R209-E220 IonicContact CZ-OE1 2.7Å; R209-E220 IonicContact CZ-OE2 3.69Å; R209-E220 IonicContact NE-OE1 3.83Å; R209-E220 PolarHBondContact NE-OE1 3.21Å; R209-E220 IonicContact NE-OE2 3.67Å; R209-E220 PolarHBondContact NE-OE2 3.37Å; R209-E220 IonicContact NH2-OE1 3.54Å; R209-E220 PolarHBondContact NH2-OE1 3.47Å; R209-E220 IonicContact NH2-OE2 3.79Å; V218-E220 HydrophobicContact CG1-CG 4.07Å
221	P	95.2	Very high	95.4	Very high	101 Å²	101	114 Å²	114	66%	0.656	57%	0.573	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-55	141	173.3	-24.5	35.2	0	0	0	111.9	Y205 E223	Y205-P221 WeakPolarHBondContact O-CA 3.41Å; P221-E223 PolarHBondContact O-N 3.42Å
222	V	94.2	Very high	95.3	Very high	47 Å²	47	119.1 Å²	119.1	29%	0.285	60%	0.6	S	S	.	*			trans	-62.9	129.5	-175.1	107.9	0	0	0	0	111.7	Y205 E207	Y205-V222 PolarHBondContact O-N 3.28Å; E207-V222 HydrophobicContact CB-CG2 3.86Å; E207-V222 HydrophobicContact CG-CG2 4.36Å
223	E	93.2	Very high	95.2	Very high	160 Å²	160	120.7 Å²	120.7	75%	0.748	61%	0.607	S	S	*	*			trans	-130.5	91.4	174.3	-72.1	-166.1	173.6	0	0	109.9	E207 P221 A225	E207-E223 PolarHBondContact OE2-N 2.89Å; P221-E223 PolarHBondContact O-N 3.42Å; E223-A225 PolarHBondContact O-N 3.46Å
224	L	93.8	Very high	95.1	Very high	91 Å²	91	118.5 Å²	118.5	48%	0.476	60%	0.602	S	S	.	*			trans	-80.1	124.9	-179.2	-63	179.8	0	0	0	111.5	S203 Q226	S203-L224 WeakPolarHBondContact OG-CD1 3.45Å; L224-Q226 WeakPolarHBondContact CB-O 3.23Å; L224-Q226 PolarHBondContact O-N 3.18Å
225	A	95.3	Very high	95.1	Very high	119 Å²	119	118.6 Å²	118.6	98%	0.983	61%	0.606	S	S	*	*	S	Bend	trans	-58.6	-29.2	172	0	0	0	0	0	112.9	E223	E223-A225 PolarHBondContact O-N 3.46Å
226	Q	95.3	Very high	95	Very high	125 Å²	125	117.2 Å²	117.2	58%	0.584	61%	0.613	S	S	*	*	S	Bend	trans	-130.9	125.4	171.4	179.2	174.8	7.7	0	0	109.6	L224	L224-Q226 WeakPolarHBondContact CB-O 3.23Å; L224-Q226 PolarHBondContact O-N 3.18Å
227	E	94.3	Very high	94.9	Very high	153 Å²	153	120.3 Å²	120.3	72%	0.715	63%	0.625	S	S	*	*			trans	-66.2	151.9	174.7	66.6	174.5	-169.8	0	0	112.6	R229	E227-R229 PolarHBondContact O-N 2.98Å
228	F	94.7	Very high	94.7	Very high	136 Å²	136	120.2 Å²	120.2	60%	0.596	62%	0.619	S	S	*	*			trans	-69.6	114	172	179.3	-100.4	0	0	0	110.3	L202 K230	L202-F228 HydrophobicContact CD2-CD2 3.98Å; L202-F228 HydrophobicContact CD2-CE2 3.86Å; L202-F228 HydrophobicContact CD2-CG 4.38Å; L202-F228 HydrophobicContact CD2-CZ 4.14Å; F228-K230 HydrophobicContact CE1-CB 4.34Å; F228-K230 PolarHBondContact O-N 3.08Å
229	R	95.6	Very high	94.7	Very high	151 Å²	151	123 Å²	123	57%	0.57	64%	0.636	S	S	*	*			trans	-80.7	103	178.1	-67.1	179.5	-68.4	176.2	-0.4	110.3	E227 F231	E227-R229 PolarHBondContact O-N 2.98Å; R229-F231 HydrophobicContact CB-CE1 4.48Å; R229-F231 HydrophobicContact CB-CE2 4.43Å; R229-F231 HydrophobicContact CB-CZ 4.08Å; R229-F231 PolarHBondContact O-N 2.91Å
230	K	95.1	Very high	94.6	Very high	185 Å²	185	126.4 Å²	126.4	80%	0.804	64%	0.638	S	S	*	*			trans	-75.4	114.8	174	-176.1	-178.5	176.4	-176.9	0	110.2	F228	F228-K230 HydrophobicContact CE1-CB 4.34Å; F228-K230 PolarHBondContact O-N 3.08Å
231	F	96	Very high	94.6	Very high	144 Å²	144	127.5 Å²	127.5	63%	0.632	65%	0.65	S	S	*	*			trans	-93.2	127.9	170.9	-59.2	-63	0	0	0	110.2	R229 L233	R229-F231 HydrophobicContact CB-CE1 4.48Å; R229-F231 HydrophobicContact CB-CE2 4.43Å; R229-F231 HydrophobicContact CB-CZ 4.08Å; R229-F231 PolarHBondContact O-N 2.91Å; F231-L233 HydrophobicContact CB-CD2 4.1Å; F231-L233 HydrophobicContact CB-CG 4.25Å; F231-L233 PolarHBondContact O-N 3.06Å
232	D	95.3	Very high	94.5	Very high	127 Å²	127	127.1 Å²	127.1	68%	0.679	66%	0.656	S	S	*	*			trans	-87.4	102.1	168.4	-168.5	5.2	0	0	0	109	N234	D232-N234 WeakPolarHBondContact OD1-CB 3.42Å; D232-N234 PolarHBondContact OD1-N 3.14Å; D232-N234 PolarHBondContact OD1-ND2 3.34Å
233	L	96.1	Very high	94.3	Very high	150 Å²	150	133.1 Å²	133.1	79%	0.785	68%	0.675	S	S	*	*			trans	-94	1.5	-178	-59.5	177	0	0	0	112.2	F231 T235	F231-L233 HydrophobicContact CB-CD2 4.1Å; F231-L233 HydrophobicContact CB-CG 4.25Å; F231-L233 PolarHBondContact O-N 3.06Å; L233-T235 PolarHBondContact O-N 3.45Å
234	N	94.7	Very high	94.3	Very high	136 Å²	136	133.1 Å²	133.1	73%	0.727	67%	0.668	S	S	*	*			trans	-70	133	-175.5	-65.4	-47.9	0	0	0	111	D232	D232-N234 WeakPolarHBondContact OD1-CB 3.42Å; D232-N234 PolarHBondContact OD1-N 3.14Å; D232-N234 PolarHBondContact OD1-ND2 3.34Å
235	T	95.1	Very high	94	Very high	92 Å²	92	136.9 Å²	136.9	56%	0.564	68%	0.683	S	S	*	*			trans	-83.9	138.7	176.8	55.5	0	0	0	0	110.6	L233 W237	L233-T235 PolarHBondContact O-N 3.45Å; T235-W237 PolarHBondContact O-N 2.99Å; T235-W237 PolarHBondContact OG1-O 3.07Å
236	P	95.6	Very high	93.7	Very high	130 Å²	130	136.9 Å²	136.9	84%	0.844	67%	0.673	S	S	*	*	S	Bend	trans	-65.8	-19.2	176.1	-22.9	33.6	0	0	0	114.4
237	W	94.3	Very high	93	Very high	215 Å²	215	140.4 Å²	140.4	81%	0.814	69%	0.686	S	S	*	*	S	Bend	trans	-92.4	138.7	-178.2	-55.4	101.5	0	0	0	110.9	T235 V239	T235-W237 PolarHBondContact O-N 2.99Å; T235-W237 PolarHBondContact OG1-O 3.07Å; W237-V239 PolarHBondContact O-N 2.71Å
238	E	91.7	Very high	92.1	Very high	92 Å²	92	142 Å²	142	43%	0.43	69%	0.694	S	S	.	*			trans	-72.8	124.7	175.4	-174.3	-174.6	160.3	0	0	111	P241 R244	E238-P241 WeakPolarHBondContact OE1-CA 3.39Å; E238-R244 VanDerWaalsContact CD-NE 3.28Å; E238-R244 VanDerWaalsContact CD-NH2 3.34Å; E238-R244 WeakPolarHBondContact OE1-CB 3.46Å; E238-R244 IonicContact OE1-CZ 3.36Å; E238-R244 IonicContact OE1-NE 3.92Å; E238-R244 PolarHBondContact OE1-NE 3.31Å; E238-R244 IonicContact OE1-NH2 3.52Å; E238-R244 PolarHBondContact OE1-NH2 2.95Å; E238-R244 IonicContact OE2-CZ 3.07Å; E238-R244 IonicContact OE2-NE 3.65Å; E238-R244 PolarHBondContact OE2-NE 3.21Å; E238-R244 IonicContact OE2-NH2 2.95Å; E238-R244 PolarHBondContact OE2-NH2 3.36Å
239	V	94.2	Very high	90.2	Very high	93 Å²	93	139.7 Å²	139.7	56%	0.564	70%	0.7	S	S	*	*	S	Bend	trans	-90.1	-31	-176.6	-176.3	0	0	0	0	112.3	W237 P241	W237-V239 PolarHBondContact O-N 2.71Å; V239-P241 WeakPolarHBondContact O-CD 3.37Å
240	F	94.1	Very high	88.4	Confident	141 Å²	141	137.8 Å²	137.8	62%	0.618	71%	0.707	S	S	*	*			trans	-124.5	87.1	-171.8	-56.7	-69.6	0	0	0	113.2	A242 Y243	F240-A242 PolarHBondContact O-N 2.8Å; F240-A242 VanDerWaalsContact O-N 3.11Å; F240-Y243 HydrophobicContact CB-CD2 4.02Å; F240-Y243 PolarHBondContact O-N 3.25Å
241	P	93.4	Very high	86.6	Confident	89 Å²	89	134.8 Å²	134.8	58%	0.578	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-60.2	-24.4	-178.5	-25.3	34.4	0	0	0	115.4	E238 V239 Y243 R244	E238-P241 WeakPolarHBondContact OE1-CA 3.39Å; V239-P241 WeakPolarHBondContact O-CD 3.37Å; P241-Y243 VanDerWaalsContact C-N 3.26Å; P241-Y243 PolarHBondContact O-N 2.9Å; P241-R244 PolarHBondContact O-N 3.48Å
242	A	92	Very high	84.6	Confident	94 Å²	94	137.5 Å²	137.5	78%	0.777	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-68.6	-23	-178	0	0	0	0	0	113.6	F240	F240-A242 PolarHBondContact O-N 2.8Å; F240-A242 VanDerWaalsContact O-N 3.11Å
243	Y	91.4	Very high	82.8	Confident	173 Å²	173	139.6 Å²	139.6	68%	0.678	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-108.7	17.6	-178.4	-58.5	-75.2	0	0	0	112.4	F240 P241 E245	F240-Y243 HydrophobicContact CB-CD2 4.02Å; F240-Y243 PolarHBondContact O-N 3.25Å; P241-Y243 VanDerWaalsContact C-N 3.26Å; P241-Y243 PolarHBondContact O-N 2.9Å; Y243-E245 PolarHBondContact O-N 3.44Å
244	R	91.9	Very high	80.9	Confident	159 Å²	159	141.4 Å²	141.4	60%	0.6	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-64.5	118.8	177.6	-172	179.6	-71.5	161.7	-4.9	109.9	E238 P241	E238-R244 VanDerWaalsContact CD-NE 3.28Å; E238-R244 VanDerWaalsContact CD-NH2 3.34Å; E238-R244 WeakPolarHBondContact OE1-CB 3.46Å; E238-R244 IonicContact OE1-CZ 3.36Å; E238-R244 IonicContact OE1-NE 3.92Å; E238-R244 PolarHBondContact OE1-NE 3.31Å; E238-R244 IonicContact OE1-NH2 3.52Å; E238-R244 PolarHBondContact OE1-NH2 2.95Å; E238-R244 IonicContact OE2-CZ 3.07Å; E238-R244 IonicContact OE2-NE 3.65Å; E238-R244 PolarHBondContact OE2-NE 3.21Å; E238-R244 IonicContact OE2-NH2 2.95Å; E238-R244 PolarHBondContact OE2-NH2 3.36Å; P241-R244 PolarHBondContact O-N 3.48Å
245	E	88.8	Confident	79.1	Confident	171 Å²	171	139 Å²	139	80%	0.799	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-63.8	138.8	171.4	-65.3	-177.5	174.6	0	0	110.2	Y243 K247	Y243-E245 PolarHBondContact O-N 3.44Å; E245-K247 PolarHBondContact O-N 3.11Å
246	P	87.9	Confident	77.1	Confident	119 Å²	119	140.6 Å²	140.6	77%	0.773	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-62.6	133	174.7	27	-32.4	0	0	0	108.8	E248	P246-E248 PolarHBondContact O-N 3.01Å
247	K	81.3	Confident	75.2	Confident	199 Å²	199	138.5 Å²	138.5	87%	0.865	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-58.9	128.7	174.6	-69.1	-175.6	178.5	-177.7	0	108.9	E245 A249	E245-K247 PolarHBondContact O-N 3.11Å; K247-A249 PolarHBondContact O-N 3.08Å
248	E	74.4	Confident	73.1	Confident	187 Å²	187	134 Å²	134	87%	0.874	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-51.5	129.5	173.4	-68.2	-177.5	164.7	0	0	109.4	P246	P246-E248 PolarHBondContact O-N 3.01Å
249	A	54.6	Low	71.3	Confident	87 Å²	87	138.4 Å²	138.4	72%	0.719	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-61.6	136.9	175.7	0	0	0	0	0	108.3	K247	K247-A249 PolarHBondContact O-N 3.08Å
250	P	59.4	Low	69.1	Low	111 Å²	111	142.9 Å²	142.9	72%	0.721	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-53.7	142.8	173.6	23.1	-32.1	0	0	0	109	K252	P250-K252 PolarHBondContact O-N 2.67Å; P250-K252 VanDerWaalsContact O-N 3.14Å
251	P	57.6	Low	66.9	Low	121 Å²	121	145.9 Å²	145.9	79%	0.786	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-51.6	126.8	-179.3	19.8	-30.8	0	0	0	108.8	L253	P251-L253 PolarHBondContact O-N 3.41Å
252	K	52.6	Low	64.5	Low	201 Å²	201	155.1 Å²	155.1	87%	0.874	82%	0.815	S	S	*	*			trans	-56.9	108.8	177.2	-71.6	176.2	-178.4	172.9	0	106.9	P250 E254	P250-K252 PolarHBondContact O-N 2.67Å; P250-K252 VanDerWaalsContact O-N 3.14Å; K252-E254 PolarHBondContact O-N 3.49Å
253	L	58.5	Low	63.1	Low	171 Å²	171	158.2 Å²	158.2	90%	0.895	82%	0.817	S	S	*	*			trans	-57.7	108	166.7	-76.5	156.8	0	0	0	106.2	P251 A255	P251-L253 PolarHBondContact O-N 3.41Å; L253-A255 PolarHBondContact O-N 2.99Å; L253-A255 VanDerWaalsContact O-N 3.08Å
254	E	55.2	Low	61.6	Low	189 Å²	189	157.4 Å²	157.4	88%	0.883	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-56.7	117	168.8	-68.8	-176.5	166.3	0	0	106.7	K252	K252-E254 PolarHBondContact O-N 3.49Å
255	A	57.4	Low	59.9	Low	86 Å²	86	157.3 Å²	157.3	71%	0.711	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-56.8	132.5	173.7	0	0	0	0	0	107.5	L253 A257	L253-A255 PolarHBondContact O-N 2.99Å; L253-A255 VanDerWaalsContact O-N 3.08Å; A255-A257 PolarHBondContact O-N 3.19Å
256	P	53.4	Low	58.2	Low	125 Å²	125	156.5 Å²	156.5	81%	0.812	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-55.5	128.3	179.3	22.5	-31.8	0	0	0	108.6
257	A	55.8	Low	56.4	Low	85 Å²	85	158.8 Å²	158.8	70%	0.702	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-49.9	137.6	177.7	0	0	0	0	0	109.5	A255 E259	A255-A257 PolarHBondContact O-N 3.19Å; A257-E259 PolarHBondContact O-N 3.2Å; A257-E259 VanDerWaalsContact O-N 3.08Å
258	P	49.5	Very low	54.7	Low	122 Å²	122	156.1 Å²	156.1	79%	0.792	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-59.1	120.1	-179.8	23.2	-31.1	0	0	0	109	E260	P258-E260 PolarHBondContact O-N 3.25Å; P258-E260 VanDerWaalsContact O-N 3.11Å
259	E	53.1	Low	53.3	Low	183 Å²	183	153.9 Å²	153.9	86%	0.855	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-55.5	116.3	174.1	-70.6	-178.2	159.1	0	0	109.3	A257 K261	A257-E259 PolarHBondContact O-N 3.2Å; A257-E259 VanDerWaalsContact O-N 3.08Å; E259-K261 PolarHBondContact O-N 3.39Å
260	E	48.1	Very low	53.2	Low	187 Å²	187	159.1 Å²	159.1	87%	0.874	85%	0.848	S	S	*	*			trans	-62.6	105.4	167.8	-74.6	-175.8	161.2	0	0	108.4	P258 K262	P258-E260 PolarHBondContact O-N 3.25Å; P258-E260 VanDerWaalsContact O-N 3.11Å; E260-K262 PolarHBondContact O-N 3.14Å; E260-K262 VanDerWaalsContact O-N 3.14Å
261	K	49.1	Very low	52.7	Low	205 Å²	205	163.1 Å²	163.1	89%	0.891	86%	0.858	S	S	*	*			trans	-64.6	111.5	168.7	-69.9	-176.6	178.4	-179.2	0	108.4	E259	E259-K261 PolarHBondContact O-N 3.39Å
262	K	42.3	Very low	52.3	Low	282 Å²	282	166.9 Å²	166.9	100%	1.226	87%	0.865	S	S	*	*			trans	-62.7	0	164.7	-80.2	-176.3	175.7	178	0	111.9	E260	E260-K262 PolarHBondContact O-N 3.14Å; E260-K262 VanDerWaalsContact O-N 3.14Å

Retrieved 262 of 262 residues in 230.5 ms (Link to these results)

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