A0A096N1Q7_PAPAN Loading...

Tumor necrosis factor ligand superfamily member 18

Cytokine that binds to TNFRSF18/AITR/GITR. Regulates T-cell responses. Can function as costimulator and lower the threshold for T-cell activation and T-cell proliferation. Important for interactions between activated T-lymphocytes and endothelial cells. Mediates activation of NF-kappa-B. Triggers increased phosphorylation of STAT1 and up-regulates expression of VCAM1 and ICAM1. Promotes leukocyte adhesion to endothelial cells. Regulates migration of monocytes from the splenic reservoir to sites of inflammation.

AlphaFold DB , UniProt , Accession A0A096N1Q7, Species PAPAN (Papio anubis, Olive baboon), Gene TNFSF18, Length 199 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	36.1	Very low	36.2	Very low	239 Å²	239	148.4 Å²	148.4	100%	1.177	83%	0.831	S	S	*	*				0	122.7	0	-74.2	167.5	167.2	0	0	106.7
2	T	39.3	Very low	35.9	Very low	139 Å²	139	151 Å²	151	85%	0.853	83%	0.828	S	S	*	*			cis	-168.1	135.3	-6.1	9.3	0	0	0	0	102.8
3	L	32.1	Very low	35.7	Very low	165 Å²	165	150.5 Å²	150.5	86%	0.864	82%	0.822	S	S	*	*			trans	-75.5	138.9	-175.4	-83.5	149.4	0	0	0	112
4	H	33.6	Very low	35.4	Very low	169 Å²	169	154.2 Å²	154.2	78%	0.782	83%	0.827	S	S	*	*			trans	32.5	128.4	148.6	-94.2	-68.4	0	0	0	122.2
5	P	40.3	Very low	35.2	Very low	119 Å²	119	151.1 Å²	151.1	77%	0.773	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-101.7	162.8	138.3	3.3	17.5	0	0	0	112.6
6	S	38.7	Very low	35.2	Very low	114 Å²	114	149.6 Å²	149.6	80%	0.797	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-66	160.5	-161.3	-41.9	0	0	0	0	119
7	P	42.8	Very low	35.2	Very low	112 Å²	112	147.1 Å²	147.1	73%	0.727	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-90.8	129.3	169	34.7	-27.7	0	0	0	111.4
8	I	39.2	Very low	35.3	Very low	147 Å²	147	147.6 Å²	147.6	75%	0.754	82%	0.822	S	S	*	*				74.2	94.5	84.6	-60	162.9	0	0	0	113
9	T	33.1	Very low	35.2	Very low	143 Å²	143	148.6 Å²	148.6	88%	0.877	82%	0.824	S	S	*	*			trans	-62.3	134.9	145.5	13.4	0	0	0	0	109.5
10	C	30.8	Very low	35.3	Very low	99 Å²	99	146.4 Å²	146.4	67%	0.669	82%	0.82	S	S	*	*			trans	-129.3	98.9	169.6	-135.7	0	0	0	0	109.2
11	E	32.4	Very low	35.7	Very low	186 Å²	186	144.4 Å²	144.4	87%	0.869	81%	0.813	S	S	*	*			trans	-67	142.6	153	-74.3	-163	150.7	0	0	108.9
12	F	32.3	Very low	35.5	Very low	180 Å²	180	142.2 Å²	142.2	79%	0.789	80%	0.797	S	S	*	*			trans	-120.2	97.2	171.1	-118.6	-88.5	0	0	0	110.3
13	L	33.5	Very low	35.2	Very low	144 Å²	144	144.2 Å²	144.2	75%	0.754	80%	0.799	S	S	*	*			trans	44.1	110.4	130.9	-74.3	159.3	0	0	0	120.4
14	F	30.9	Very low	35.1	Very low	203 Å²	203	141.8 Å²	141.8	89%	0.89	79%	0.794	S	S	*	*			trans	-62.4	148.6	145.8	-98.7	-98.7	0	0	0	112.4
15	S	33.1	Very low	35.5	Very low	107 Å²	107	141.6 Å²	141.6	75%	0.748	80%	0.798	S	S	*	*			trans	-143.5	105.2	156.6	-80.4	0	0	0	0	110.9
16	T	34.8	Very low	35.4	Very low	128 Å²	128	141.2 Å²	141.2	79%	0.785	80%	0.799	S	S	*	*			trans	25.5	127.5	137.1	31.8	0	0	0	0	121.4
17	A	35.5	Very low	35.7	Very low	106 Å²	106	143 Å²	143	88%	0.876	79%	0.794	S	S	*	*				-161.7	132.9	112.4	0	0	0	0	0	111.5
18	L	36.3	Very low	35.6	Very low	156 Å²	156	145.4 Å²	145.4	82%	0.817	80%	0.8	S	S	*	*			trans	-74.6	154.7	176.5	-75.4	142.1	0	0	0	111.9
19	I	33.8	Very low	35.6	Very low	167 Å²	167	144.8 Å²	144.8	86%	0.856	79%	0.794	S	S	*	*				169.7	134.7	115.2	-79.7	153.2	0	0	0	111.4
20	S	38	Very low	35.9	Very low	105 Å²	105	144.5 Å²	144.5	73%	0.734	79%	0.787	S	S	*	*			trans	-61.3	175	173.2	-144.2	0	0	0	0	113.4
21	P	43.1	Very low	36.6	Very low	105 Å²	105	148.4 Å²	148.4	68%	0.682	80%	0.798	S	S	*	*			cis	-152.9	179.5	24.8	40.5	-16.2	0	0	0	119.8
22	K	32.9	Very low	37.8	Very low	193 Å²	193	144.4 Å²	144.4	84%	0.839	79%	0.788	S	S	*	*			trans	63	116.1	144.7	-83.9	175.1	177.1	176.7	0	122.1
23	M	31.5	Very low	38.1	Very low	181 Å²	181	143.4 Å²	143.4	89%	0.892	79%	0.789	S	S	*	*			trans	14.7	123.2	130.5	-86.3	174.2	164.9	0	0	118
24	C	31.3	Very low	38.3	Very low	114 Å²	114	140.8 Å²	140.8	77%	0.77	78%	0.784	S	S	*	*				169.6	137.3	87.4	-117.2	0	0	0	0	111.2
25	L	41.5	Very low	38.9	Very low	164 Å²	164	140.1 Å²	140.1	86%	0.859	78%	0.783	S	S	*	*			trans	14.7	120.1	145.4	-127.2	103.5	0	0	0	118.9
26	S	37.9	Very low	39.1	Very low	112 Å²	112	140.5 Å²	140.5	78%	0.783	79%	0.785	S	S	*	*			trans	-152.1	106.3	134.7	52.4	0	0	0	0	110.7	L28	S26-L28 PolarHBondContact O-N 2.9Å
27	H	45.2	Very low	39.6	Very low	151 Å²	151	145.4 Å²	145.4	70%	0.699	79%	0.79	S	S	*	*			trans	-59.9	122	155.8	178	-83.2	0	0	0	108.2
28	L	40.8	Very low	39.8	Very low	163 Å²	163	147 Å²	147	85%	0.853	79%	0.788	S	S	*	*			trans	-147	126.1	158.5	-129.6	146.7	0	0	0	111.2	S26	S26-L28 PolarHBondContact O-N 2.9Å
29	E	38.4	Very low	40.4	Very low	133 Å²	133	147.8 Å²	147.8	62%	0.621	79%	0.788	S	S	*	*			trans	-66.2	146.4	-170.8	-74.4	162.1	113.5	0	0	114.5
30	N	40.4	Very low	40.8	Very low	137 Å²	137	143 Å²	143	73%	0.733	78%	0.78	S	S	*	*			trans	52.4	106.6	132.7	-56.5	-28.3	0	0	0	120.6
31	M	44.6	Very low	41.6	Very low	182 Å²	182	142.3 Å²	142.3	90%	0.897	78%	0.781	S	S	*	*				44.9	146.7	117.4	-129.5	160.7	170.5	0	0	118.6
32	P	58	Low	42.1	Very low	102 Å²	102	146.5 Å²	146.5	66%	0.662	79%	0.791	S	S	*	*			cis	-142.3	176.6	24	37.7	-16	0	0	0	114.7
33	L	37.8	Very low	43.4	Very low	158 Å²	158	148.1 Å²	148.1	83%	0.827	79%	0.792	S	S	*	*			trans	175.8	109.6	136.1	-92.8	154.8	0	0	0	110.7
34	S	38.6	Very low	44.6	Very low	90 Å²	90	142.6 Å²	142.6	63%	0.629	77%	0.771	S	S	*	*			trans	43.2	115.5	132.9	54.7	0	0	0	0	120.5
35	H	43.8	Very low	46.1	Very low	189 Å²	189	141.7 Å²	141.7	88%	0.875	77%	0.766	S	S	*	*			trans	59.4	113.6	141.2	-68.5	-33.1	0	0	0	119.7
36	S	36.1	Very low	47.1	Very low	115 Å²	115	141.5 Å²	141.5	80%	0.804	75%	0.754	S	S	*	*				-151.4	133.3	100.4	55.2	0	0	0	0	111.9	T38	S36-T38 PolarHBondContact O-N 3.1Å; S36-T38 VanDerWaalsContact O-N 3.16Å
37	R	46.2	Very low	48.8	Very low	231 Å²	231	142.6 Å²	142.6	87%	0.872	75%	0.745	S	S	*	*			trans	-63.4	99	176	-177	-174.1	-156.8	171.7	4.5	109.1	Q39	R37-Q39 VanDerWaalsContact C-N 3.32Å; R37-Q39 PolarHBondContact O-N 3.16Å; R37-Q39 VanDerWaalsContact O-N 3.1Å
38	T	40.3	Very low	50.6	Low	139 Å²	139	141.1 Å²	141.1	85%	0.853	74%	0.741	S	S	*	*			trans	-73.9	99.5	152.8	36.2	0	0	0	0	107	S36 G40	S36-T38 PolarHBondContact O-N 3.1Å; S36-T38 VanDerWaalsContact O-N 3.16Å; T38-G40 VanDerWaalsContact C-N 3.26Å; T38-G40 PolarHBondContact O-N 2.7Å
39	Q	47.3	Very low	52.6	Low	172 Å²	172	140.5 Å²	140.5	80%	0.804	73%	0.728	S	S	*	*			trans	-48.7	93.5	166.2	-163.2	166	6.3	0	0	108	R37 A41	R37-Q39 VanDerWaalsContact C-N 3.32Å; R37-Q39 PolarHBondContact O-N 3.16Å; R37-Q39 VanDerWaalsContact O-N 3.1Å; Q39-A41 VanDerWaalsContact C-N 3.35Å; Q39-A41 PolarHBondContact O-N 3.08Å
40	G	43.5	Very low	54.9	Low	68 Å²	68	137.9 Å²	137.9	70%	0.701	72%	0.717	S	S	*	*			trans	-60	104.3	169.8	0	0	0	0	0	106.2	T38 Q42	T38-G40 VanDerWaalsContact C-N 3.26Å; T38-G40 PolarHBondContact O-N 2.7Å; G40-Q42 PolarHBondContact O-N 2.76Å
41	A	53.3	Low	57.1	Low	89 Å²	89	138.1 Å²	138.1	74%	0.736	71%	0.712	S	S	*	*			trans	-60.2	93.4	163	0	0	0	0	0	105.4	Q39 R43	Q39-A41 VanDerWaalsContact C-N 3.35Å; Q39-A41 PolarHBondContact O-N 3.08Å; A41-R43 PolarHBondContact O-N 2.8Å
42	Q	55.2	Low	59	Low	193 Å²	193	132.4 Å²	132.4	90%	0.902	69%	0.69	S	S	*	*			trans	-65.1	82.3	170.2	-173.6	159.3	-23.3	0	0	105.7	G40 S44	G40-Q42 PolarHBondContact O-N 2.76Å; Q42-S44 PolarHBondContact O-N 3.3Å; Q42-S44 VanDerWaalsContact O-N 3.08Å
43	R	58.8	Low	60.4	Low	228 Å²	228	129.9 Å²	129.9	86%	0.86	67%	0.674	S	S	*	*			trans	-53.5	120.9	175.4	-96.7	-178.3	171.4	166.5	-1.9	105.6	A41 S45	A41-R43 PolarHBondContact O-N 2.8Å; R43-S45 PolarHBondContact O-N 3.06Å
44	S	57.8	Low	62.9	Low	64 Å²	64	126.8 Å²	126.8	45%	0.448	66%	0.658	S	S	.	*			trans	-57.4	83.5	-179.6	177.9	0	0	0	0	109.8	Q42 W46 K47 L48	Q42-S44 PolarHBondContact O-N 3.3Å; Q42-S44 VanDerWaalsContact O-N 3.08Å; S44-W46 PolarHBondContact O-N 3.43Å; S44-K47 PolarHBondContact O-N 3.11Å; S44-K47 VanDerWaalsContact O-N 3.11Å; S44-K47 WeakPolarHBondContact OG-CG 3.34Å; S44-L48 PolarHBondContact O-N 3.38Å
45	S	62.5	Low	65.4	Low	95 Å²	95	125.2 Å²	125.2	66%	0.664	65%	0.65	S	S	*	*	H	α-helix	trans	-59.3	-28.1	179.4	56.9	0	0	0	0	111.1	R43 L48 W49	R43-S45 PolarHBondContact O-N 3.06Å; S45-L48 PolarHBondContact O-N 3.21Å; S45-W49 VanDerWaalsContact O-CB 3.3Å; S45-W49 WeakPolarHBondContact O-CB 3.49Å; S45-W49 PolarHBondContact O-N 2.69Å
46	W	62.7	Low	67.8	Low	161 Å²	161	121.2 Å²	121.2	61%	0.61	63%	0.634	S	S	*	*	H	α-helix	trans	-62.3	-42.8	174.5	-168.8	-93.2	0	0	0	113.3	S44 W49 L50	S44-W46 PolarHBondContact O-N 3.43Å; W46-W49 HydrophobicContact CD2-CE3 4.36Å; W46-W49 HydrophobicContact CE3-CE3 4.05Å; W46-W49 HydrophobicContact CE3-CZ3 4.22Å; W46-W49 HydrophobicContact CH2-CE3 4.27Å; W46-W49 AromaticContact CH2-CZ3 3.66Å; W46-W49 HydrophobicContact CH2-CZ3 3.66Å; W46-W49 HydrophobicContact CZ2-CZ3 4.12Å; W46-W49 HydrophobicContact CZ3-CE3 4.01Å; W46-W49 AromaticContact CZ3-CZ3 3.71Å; W46-W49 HydrophobicContact CZ3-CZ3 3.71Å; W46-W49 PolarHBondContact O-N 3.49Å; W46-L50 VanDerWaalsContact CD1-CD1 3.5Å; W46-L50 WeakPolarHBondContact O-CG 3.32Å; W46-L50 PolarHBondContact O-N 3.38Å
47	K	74.4	Confident	70.5	Confident	135 Å²	135	122 Å²	122	59%	0.587	62%	0.623	S	S	*	*	H	α-helix	trans	-65.9	-43.2	178	-76.3	-179.9	-179.9	-173.6	0	110.9	S44 W49 L50 F51	S44-K47 PolarHBondContact O-N 3.11Å; S44-K47 VanDerWaalsContact O-N 3.11Å; S44-K47 WeakPolarHBondContact OG-CG 3.34Å; K47-W49 VanDerWaalsContact C-N 3.35Å; K47-L50 PolarHBondContact O-N 2.94Å; K47-F51 HydrophobicContact CB-CE2 4.43Å; K47-F51 WeakPolarHBondContact O-CD2 2.95Å; K47-F51 PolarHBondContact O-N 2.88Å
48	L	81.8	Confident	72.8	Confident	119 Å²	119	116.2 Å²	116.2	62%	0.623	61%	0.609	S	S	*	*	H	α-helix	trans	-63.9	-40.8	176.5	-171.9	64.8	0	0	0	111.7	S44 S45 F51 C52	S44-L48 PolarHBondContact O-N 3.38Å; S45-L48 PolarHBondContact O-N 3.21Å; L48-F51 PolarHBondContact O-N 3.26Å; L48-C52 PolarHBondContact O-N 3.48Å; L48-C52 PolarHBondContact O-SG 3.42Å; L48-C52 VanDerWaalsContact O-SG 3.35Å
49	W	82.7	Confident	75.3	Confident	151 Å²	151	116.1 Å²	116.1	57%	0.572	60%	0.597	S	S	*	*	H	α-helix	trans	-64.8	-39.3	176.7	-175.4	59.4	0	0	0	112.9	S45 W46 K47 C52 S53	S45-W49 VanDerWaalsContact O-CB 3.3Å; S45-W49 WeakPolarHBondContact O-CB 3.49Å; S45-W49 PolarHBondContact O-N 2.69Å; W46-W49 HydrophobicContact CD2-CE3 4.36Å; W46-W49 HydrophobicContact CE3-CE3 4.05Å; W46-W49 HydrophobicContact CE3-CZ3 4.22Å; W46-W49 HydrophobicContact CH2-CE3 4.27Å; W46-W49 AromaticContact CH2-CZ3 3.66Å; W46-W49 HydrophobicContact CH2-CZ3 3.66Å; W46-W49 HydrophobicContact CZ2-CZ3 4.12Å; W46-W49 HydrophobicContact CZ3-CE3 4.01Å; W46-W49 AromaticContact CZ3-CZ3 3.71Å; W46-W49 HydrophobicContact CZ3-CZ3 3.71Å; W46-W49 PolarHBondContact O-N 3.49Å; K47-W49 VanDerWaalsContact C-N 3.35Å; W49-C52 PolarHBondContact O-N 3.33Å; W49-S53 WeakPolarHBondContact O-CB 3.5Å; W49-S53 PolarHBondContact O-N 2.91Å; W49-S53 PolarHBondContact O-OG 2.91Å
50	L	86.1	Confident	77.6	Confident	77 Å²	77	112.3 Å²	112.3	40%	0.403	58%	0.582	S	S	.	*	H	α-helix	trans	-61.6	-46.3	172	-75.2	170.1	0	0	0	111.7	W46 K47 C52 S53 I54	W46-L50 VanDerWaalsContact CD1-CD1 3.5Å; W46-L50 WeakPolarHBondContact O-CG 3.32Å; W46-L50 PolarHBondContact O-N 3.38Å; K47-L50 PolarHBondContact O-N 2.94Å; L50-C52 PolarHBondContact O-N 3.44Å; L50-S53 PolarHBondContact O-N 3.48Å; L50-I54 WeakPolarHBondContact O-CD1 3.35Å; L50-I54 VanDerWaalsContact O-CG1 3.24Å; L50-I54 WeakPolarHBondContact O-CG1 3.24Å; L50-I54 PolarHBondContact O-N 2.94Å
51	F	86.8	Confident	79.9	Confident	142 Å²	142	111.9 Å²	111.9	62%	0.623	57%	0.567	S	S	*	*	H	α-helix	trans	-63.1	-42.2	177.7	-72.5	-60.9	0	0	0	112.5	K47 L48 S53 I54 A55	K47-F51 HydrophobicContact CB-CE2 4.43Å; K47-F51 WeakPolarHBondContact O-CD2 2.95Å; K47-F51 PolarHBondContact O-N 2.88Å; L48-F51 PolarHBondContact O-N 3.26Å; F51-S53 VanDerWaalsContact C-N 3.34Å; F51-S53 PolarHBondContact O-N 3.5Å; F51-I54 PolarHBondContact O-N 3.49Å; F51-A55 WeakPolarHBondContact O-CB 3.26Å; F51-A55 PolarHBondContact O-N 2.95Å
52	C	85.1	Confident	81.7	Confident	63 Å²	63	110.8 Å²	110.8	43%	0.426	55%	0.554	S	S	.	*	H	α-helix	trans	-63	-41.3	174.6	-69.5	0	0	0	0	111.8	L48 W49 L50 A55 I56	L48-C52 PolarHBondContact O-N 3.48Å; L48-C52 PolarHBondContact O-SG 3.42Å; L48-C52 VanDerWaalsContact O-SG 3.35Å; W49-C52 PolarHBondContact O-N 3.33Å; L50-C52 PolarHBondContact O-N 3.44Å; C52-A55 PolarHBondContact O-N 3.46Å; C52-I56 VanDerWaalsContact O-CG1 3.26Å; C52-I56 WeakPolarHBondContact O-CG1 3.34Å; C52-I56 PolarHBondContact O-N 2.91Å
53	S	86.7	Confident	83.3	Confident	49 Å²	49	106.9 Å²	106.9	34%	0.343	53%	0.534	S	S	.	.	H	α-helix	trans	-64.7	-42.3	178.7	-58.3	0	0	0	0	111.7	W49 L50 F51 I56 F57	W49-S53 WeakPolarHBondContact O-CB 3.5Å; W49-S53 PolarHBondContact O-N 2.91Å; W49-S53 PolarHBondContact O-OG 2.91Å; L50-S53 PolarHBondContact O-N 3.48Å; F51-S53 VanDerWaalsContact C-N 3.34Å; F51-S53 PolarHBondContact O-N 3.5Å; S53-I56 PolarHBondContact O-N 3.25Å; S53-F57 WeakPolarHBondContact O-CB 3.47Å; S53-F57 PolarHBondContact O-N 2.9Å
54	I	91.7	Very high	84.8	Confident	93 Å²	93	99.5 Å²	99.5	48%	0.477	52%	0.518	S	S	.	.	H	α-helix	trans	-64.6	-43.8	175.2	-67.3	163.8	0	0	0	110.6	L50 F51 I56 F57 L58	L50-I54 WeakPolarHBondContact O-CD1 3.35Å; L50-I54 VanDerWaalsContact O-CG1 3.24Å; L50-I54 WeakPolarHBondContact O-CG1 3.24Å; L50-I54 PolarHBondContact O-N 2.94Å; F51-I54 PolarHBondContact O-N 3.49Å; I54-I56 PolarHBondContact O-N 2.74Å; I54-F57 PolarHBondContact O-N 3.35Å; I54-L58 HydrophobicContact CG2-CD1 4Å; I54-L58 HydrophobicContact CG2-CG 4.33Å; I54-L58 WeakPolarHBondContact O-CB 3.41Å; I54-L58 WeakPolarHBondContact O-CG 3.35Å; I54-L58 PolarHBondContact O-N 3.5Å
55	A	91.3	Very high	86.3	Confident	56 Å²	56	104.7 Å²	104.7	46%	0.463	53%	0.527	S	S	.	.	H	α-helix	trans	-62.1	-43	178.5	0	0	0	0	0	112.1	F51 C52 L58 F59	F51-A55 WeakPolarHBondContact O-CB 3.26Å; F51-A55 PolarHBondContact O-N 2.95Å; C52-A55 PolarHBondContact O-N 3.46Å; A55-L58 PolarHBondContact O-N 3.09Å; A55-F59 WeakPolarHBondContact O-CB 3.31Å; A55-F59 PolarHBondContact O-N 2.84Å
56	I	92.8	Very high	87.5	Confident	105 Å²	105	104 Å²	104	54%	0.538	52%	0.516	S	S	.	.	H	α-helix	trans	-63.4	-44	175.4	-68.5	164.5	0	0	0	110.4	C52 S53 I54 F59 L60	C52-I56 VanDerWaalsContact O-CG1 3.26Å; C52-I56 WeakPolarHBondContact O-CG1 3.34Å; C52-I56 PolarHBondContact O-N 2.91Å; S53-I56 PolarHBondContact O-N 3.25Å; I54-I56 PolarHBondContact O-N 2.74Å; I56-F59 PolarHBondContact O-N 3.3Å; I56-L60 HydrophobicContact CG2-CD1 3.93Å; I56-L60 HydrophobicContact CG2-CG 4.38Å; I56-L60 WeakPolarHBondContact O-CB 3.35Å; I56-L60 VanDerWaalsContact O-CG 3.29Å; I56-L60 WeakPolarHBondContact O-CG 3.3Å; I56-L60 PolarHBondContact O-N 3.28Å
57	F	93.7	Very high	88.6	Confident	133 Å²	133	99.7 Å²	99.7	58%	0.583	50%	0.504	S	S	*	.	H	α-helix	trans	-61.2	-46.5	177.7	-175.4	-99.7	0	0	0	112	S53 I54 F59 L60 C61	S53-F57 WeakPolarHBondContact O-CB 3.47Å; S53-F57 PolarHBondContact O-N 2.9Å; I54-F57 PolarHBondContact O-N 3.35Å; F57-F59 VanDerWaalsContact C-N 3.33Å; F57-F59 PolarHBondContact O-N 2.9Å; F57-L60 PolarHBondContact O-N 3.38Å; F57-C61 VanDerWaalsContact CE1-SG 3.54Å; F57-C61 PolarHBondContact O-N 3.49Å; F57-C61 PolarHBondContact O-SG 3.44Å
58	L	94.2	Very high	88.9	Confident	108 Å²	108	98.5 Å²	98.5	57%	0.565	50%	0.499	S	S	*	.	H	α-helix	trans	-62.6	-39.7	176.2	-71.3	174.8	0	0	0	112.2	I54 A55 C61 S62	I54-L58 HydrophobicContact CG2-CD1 4Å; I54-L58 HydrophobicContact CG2-CG 4.33Å; I54-L58 WeakPolarHBondContact O-CB 3.41Å; I54-L58 WeakPolarHBondContact O-CG 3.35Å; I54-L58 PolarHBondContact O-N 3.5Å; A55-L58 PolarHBondContact O-N 3.09Å; L58-C61 PolarHBondContact O-N 2.88Å; L58-S62 VanDerWaalsContact O-CB 3.31Å; L58-S62 WeakPolarHBondContact O-CB 3.35Å; L58-S62 PolarHBondContact O-N 3.41Å
59	F	93.5	Very high	88.9	Confident	137 Å²	137	96.9 Å²	96.9	60%	0.601	49%	0.49	S	S	*	.	H	α-helix	trans	-62.7	-45.5	175.4	-178.4	-99.6	0	0	0	111.3	A55 I56 F57 S62 F63	A55-F59 WeakPolarHBondContact O-CB 3.31Å; A55-F59 PolarHBondContact O-N 2.84Å; I56-F59 PolarHBondContact O-N 3.3Å; F57-F59 VanDerWaalsContact C-N 3.33Å; F57-F59 PolarHBondContact O-N 2.9Å; F59-S62 PolarHBondContact O-N 2.87Å; F59-F63 VanDerWaalsContact O-CB 3.24Å; F59-F63 WeakPolarHBondContact O-CB 3.24Å; F59-F63 PolarHBondContact O-N 3.29Å
60	L	94.3	Very high	88.4	Confident	93 Å²	93	96.6 Å²	96.6	49%	0.487	49%	0.493	S	S	.	.	H	α-helix	trans	-61.9	-45.1	175.7	-70.4	169.8	0	0	0	111.5	I56 F57 S62 F63 S64	I56-L60 HydrophobicContact CG2-CD1 3.93Å; I56-L60 HydrophobicContact CG2-CG 4.38Å; I56-L60 WeakPolarHBondContact O-CB 3.35Å; I56-L60 VanDerWaalsContact O-CG 3.29Å; I56-L60 WeakPolarHBondContact O-CG 3.3Å; I56-L60 PolarHBondContact O-N 3.28Å; F57-L60 PolarHBondContact O-N 3.38Å; L60-S62 PolarHBondContact O-N 3.26Å; L60-F63 PolarHBondContact O-N 2.91Å; L60-S64 WeakPolarHBondContact O-CB 3.41Å; L60-S64 PolarHBondContact O-N 2.97Å; L60-S64 PolarHBondContact O-OG 3.07Å
61	C	92.1	Very high	87.5	Confident	58 Å²	58	99.3 Å²	99.3	39%	0.392	51%	0.508	S	S	.	.	H	α-helix	trans	-61.3	-45.1	176.5	-70.3	0	0	0	0	112.3	F57 L58 S64 W65	F57-C61 VanDerWaalsContact CE1-SG 3.54Å; F57-C61 PolarHBondContact O-N 3.49Å; F57-C61 PolarHBondContact O-SG 3.44Å; L58-C61 PolarHBondContact O-N 2.88Å; C61-S64 PolarHBondContact O-N 3.3Å; C61-W65 WeakPolarHBondContact O-CB 3.44Å; C61-W65 PolarHBondContact O-N 2.94Å
62	S	91.1	Very high	86.2	Confident	67 Å²	67	98.9 Å²	98.9	47%	0.469	51%	0.507	S	S	.	.	H	α-helix	trans	-62	-44	176.1	-179.9	0	0	0	0	111.3	L58 F59 L60 W65 L66	L58-S62 VanDerWaalsContact O-CB 3.31Å; L58-S62 WeakPolarHBondContact O-CB 3.35Å; L58-S62 PolarHBondContact O-N 3.41Å; F59-S62 PolarHBondContact O-N 2.87Å; L60-S62 PolarHBondContact O-N 3.26Å; S62-W65 PolarHBondContact O-N 2.89Å; S62-L66 WeakPolarHBondContact O-CG 3.43Å; S62-L66 PolarHBondContact O-N 3.44Å
63	F	90.3	Very high	84.8	Confident	110 Å²	110	101.9 Å²	101.9	48%	0.482	52%	0.519	S	S	.	.	H	α-helix	trans	-65.8	-42.1	178.7	-166.8	-107.7	0	0	0	112.1	F59 L60 W65 L66 I67	F59-F63 VanDerWaalsContact O-CB 3.24Å; F59-F63 WeakPolarHBondContact O-CB 3.24Å; F59-F63 PolarHBondContact O-N 3.29Å; L60-F63 PolarHBondContact O-N 2.91Å; F63-W65 VanDerWaalsContact C-N 3.34Å; F63-W65 PolarHBondContact O-N 2.84Å; F63-L66 PolarHBondContact O-N 3.24Å; F63-I67 HydrophobicContact CD1-CD1 3.46Å; F63-I67 VanDerWaalsContact CD1-CD1 3.46Å; F63-I67 HydrophobicContact CD1-CG1 4.35Å; F63-I67 HydrophobicContact CE1-CD1 3.32Å; F63-I67 HydrophobicContact CE1-CG1 4.21Å; F63-I67 HydrophobicContact CG-CD1 4.33Å; F63-I67 HydrophobicContact CZ-CD1 4.07Å; F63-I67 WeakPolarHBondContact O-CB 3.29Å; F63-I67 VanDerWaalsContact O-CG1 3.3Å; F63-I67 WeakPolarHBondContact O-CG1 3.5Å; F63-I67 PolarHBondContact O-N 3.18Å
64	S	88.9	Confident	83	Confident	74 Å²	74	105.5 Å²	105.5	52%	0.517	53%	0.53	S	S	.	.	H	α-helix	trans	-62.9	-39.1	173.5	-63.5	0	0	0	0	112.3	L60 C61 I67 F68	L60-S64 WeakPolarHBondContact O-CB 3.41Å; L60-S64 PolarHBondContact O-N 2.97Å; L60-S64 PolarHBondContact O-OG 3.07Å; C61-S64 PolarHBondContact O-N 3.3Å; S64-I67 PolarHBondContact O-N 2.67Å; S64-F68 WeakPolarHBondContact O-CB 3.34Å; S64-F68 PolarHBondContact O-N 3.49Å
65	W	90.3	Very high	81	Confident	172 Å²	172	105.5 Å²	105.5	65%	0.652	54%	0.544	S	S	*	.	H	α-helix	trans	-65.2	-44.1	175.2	-175.7	-92.3	0	0	0	111.9	C61 S62 F63 F68 I69	C61-W65 WeakPolarHBondContact O-CB 3.44Å; C61-W65 PolarHBondContact O-N 2.94Å; S62-W65 PolarHBondContact O-N 2.89Å; F63-W65 VanDerWaalsContact C-N 3.34Å; F63-W65 PolarHBondContact O-N 2.84Å; W65-F68 WeakPolarHBondContact O-CB 3.11Å; W65-F68 PolarHBondContact O-N 2.93Å; W65-I69 VanDerWaalsContact NE1-CD1 3.3Å; W65-I69 WeakPolarHBondContact O-CG1 3.48Å; W65-I69 PolarHBondContact O-N 3.37Å
66	L	87.9	Confident	79	Confident	81 Å²	81	107.2 Å²	107.2	42%	0.424	56%	0.558	S	S	.	*	H	α-helix	trans	-60.7	-46.8	174.2	-72.8	169.3	0	0	0	111.2	S62 F63 F68 I69 F70	S62-L66 WeakPolarHBondContact O-CG 3.43Å; S62-L66 PolarHBondContact O-N 3.44Å; F63-L66 PolarHBondContact O-N 3.24Å; L66-F68 VanDerWaalsContact C-N 3.28Å; L66-F68 PolarHBondContact O-N 3.48Å; L66-I69 PolarHBondContact O-N 3.22Å; L66-F70 HydrophobicContact CB-CD2 4.47Å; L66-F70 WeakPolarHBondContact O-CD2 3.23Å; L66-F70 PolarHBondContact O-N 2.88Å
67	I	85.7	Confident	77.7	Confident	70 Å²	70	109.2 Å²	109.2	36%	0.359	56%	0.563	S	S	.	*	H	α-helix	trans	-57.7	-43.1	175	-73	165.3	0	0	0	110.7	F63 S64 I69 F70 L71	F63-I67 HydrophobicContact CD1-CD1 3.46Å; F63-I67 VanDerWaalsContact CD1-CD1 3.46Å; F63-I67 HydrophobicContact CD1-CG1 4.35Å; F63-I67 HydrophobicContact CE1-CD1 3.32Å; F63-I67 HydrophobicContact CE1-CG1 4.21Å; F63-I67 HydrophobicContact CG-CD1 4.33Å; F63-I67 HydrophobicContact CZ-CD1 4.07Å; F63-I67 WeakPolarHBondContact O-CB 3.29Å; F63-I67 VanDerWaalsContact O-CG1 3.3Å; F63-I67 WeakPolarHBondContact O-CG1 3.5Å; F63-I67 PolarHBondContact O-N 3.18Å; S64-I67 PolarHBondContact O-N 2.67Å; I67-I69 PolarHBondContact O-N 2.89Å; I67-F70 CarbonylContact O-C 3.27Å; I67-F70 PolarHBondContact O-N 3.35Å; I67-L71 HydrophobicContact CG2-CD1 3.44Å; I67-L71 VanDerWaalsContact CG2-CD1 3.44Å; I67-L71 HydrophobicContact CG2-CG 4.03Å; I67-L71 VanDerWaalsContact O-CB 3.29Å; I67-L71 WeakPolarHBondContact O-CB 3.39Å; I67-L71 VanDerWaalsContact O-CG 3.26Å; I67-L71 WeakPolarHBondContact O-CG 3.36Å; I67-L71 PolarHBondContact O-N 3.49Å
68	F	81	Confident	76.4	Confident	110 Å²	110	109.8 Å²	109.8	48%	0.482	57%	0.567	S	S	.	*	H	α-helix	trans	-62.9	-41.9	177.9	-172.3	-101.4	0	0	0	111.9	S64 W65 L66 L71 Q72	S64-F68 WeakPolarHBondContact O-CB 3.34Å; S64-F68 PolarHBondContact O-N 3.49Å; W65-F68 WeakPolarHBondContact O-CB 3.11Å; W65-F68 PolarHBondContact O-N 2.93Å; L66-F68 VanDerWaalsContact C-N 3.28Å; L66-F68 PolarHBondContact O-N 3.48Å; F68-L71 PolarHBondContact O-N 3.4Å; F68-Q72 HydrophobicContact CD1-CG 4.33Å; F68-Q72 HydrophobicContact CE1-CG 4.09Å; F68-Q72 HydrophobicContact CZ-CG 4.26Å; F68-Q72 WeakPolarHBondContact O-CB 3.3Å; F68-Q72 WeakPolarHBondContact O-CG 3.48Å; F68-Q72 PolarHBondContact O-N 2.82Å
69	I	81.6	Confident	75.9	Confident	85 Å²	85	107.8 Å²	107.8	44%	0.436	56%	0.561	S	S	.	*	H	α-helix	trans	-61.7	-45.6	172.5	-70.7	178.1	0	0	0	110.9	W65 L66 I67 L71 Q72 L73	W65-I69 VanDerWaalsContact NE1-CD1 3.3Å; W65-I69 WeakPolarHBondContact O-CG1 3.48Å; W65-I69 PolarHBondContact O-N 3.37Å; L66-I69 PolarHBondContact O-N 3.22Å; I67-I69 PolarHBondContact O-N 2.89Å; I69-L71 VanDerWaalsContact C-N 3.34Å; I69-L71 PolarHBondContact O-N 3.45Å; I69-Q72 CarbonylContact O-C 3.59Å; I69-Q72 PolarHBondContact O-N 3.02Å; I69-L73 PolarHBondContact O-N 2.76Å
70	F	72.6	Confident	75.8	Confident	146 Å²	146	101.8 Å²	101.8	64%	0.64	54%	0.536	S	S	*	.	H	α-helix	trans	-68.6	-30.3	179.2	-80.6	-68.6	0	0	0	113.2	L66 I67 L73	L66-F70 HydrophobicContact CB-CD2 4.47Å; L66-F70 WeakPolarHBondContact O-CD2 3.23Å; L66-F70 PolarHBondContact O-N 2.88Å; I67-F70 CarbonylContact O-C 3.27Å; I67-F70 PolarHBondContact O-N 3.35Å; F70-L73 WeakPolarHBondContact O-CB 3.4Å
71	L	66.1	Low	75.8	Confident	134 Å²	134	100.3 Å²	100.3	70%	0.702	53%	0.527	S	S	*	.	H	α-helix	trans	-77.9	-32.9	174.4	-75.8	168.6	0	0	0	112.1	I67 F68 I69 L73	I67-L71 HydrophobicContact CG2-CD1 3.44Å; I67-L71 VanDerWaalsContact CG2-CD1 3.44Å; I67-L71 HydrophobicContact CG2-CG 4.03Å; I67-L71 VanDerWaalsContact O-CB 3.29Å; I67-L71 WeakPolarHBondContact O-CB 3.39Å; I67-L71 VanDerWaalsContact O-CG 3.26Å; I67-L71 WeakPolarHBondContact O-CG 3.36Å; I67-L71 PolarHBondContact O-N 3.49Å; F68-L71 PolarHBondContact O-N 3.4Å; I69-L71 VanDerWaalsContact C-N 3.34Å; I69-L71 PolarHBondContact O-N 3.45Å; L71-L73 VanDerWaalsContact C-N 3.27Å
72	Q	59.4	Low	76	Confident	132 Å²	132	97.7 Å²	97.7	62%	0.617	51%	0.509	S	S	*	.	H	α-helix	trans	-77.6	-13.3	171.4	-75	-145.9	6.4	0	0	113.4	F68 I69 E74	F68-Q72 HydrophobicContact CD1-CG 4.33Å; F68-Q72 HydrophobicContact CE1-CG 4.09Å; F68-Q72 HydrophobicContact CZ-CG 4.26Å; F68-Q72 WeakPolarHBondContact O-CB 3.3Å; F68-Q72 WeakPolarHBondContact O-CG 3.48Å; F68-Q72 PolarHBondContact O-N 2.82Å; I69-Q72 CarbonylContact O-C 3.59Å; I69-Q72 PolarHBondContact O-N 3.02Å; Q72-E74 PolarHBondContact O-N 3.09Å
73	L	55.6	Low	76.3	Confident	126 Å²	126	97.1 Å²	97.1	66%	0.66	50%	0.498	S	S	*	.	S	Bend	trans	-66.8	84.5	165.2	-162.1	73.3	0	0	0	106.9	I69 F70 L71 A75	I69-L73 PolarHBondContact O-N 2.76Å; F70-L73 WeakPolarHBondContact O-CB 3.4Å; L71-L73 VanDerWaalsContact C-N 3.27Å; L73-A75 PolarHBondContact O-N 2.81Å
74	E	49.9	Very low	76.6	Confident	126 Å²	126	91.9 Å²	91.9	59%	0.589	48%	0.476	S	S	*	.			trans	-30.3	118.2	-175.7	-151.5	164.7	-162.9	0	0	110.2	Q72 A76 K77	Q72-E74 PolarHBondContact O-N 3.09Å; E74-A76 PolarHBondContact O-N 3.19Å; E74-K77 WeakPolarHBondContact OE1-CE 3.49Å; E74-K77 IonicContact OE1-NZ 2.7Å; E74-K77 PolarHBondContact OE1-NZ 2.93Å; E74-K77 IonicContact OE2-NZ 3.09Å; E74-K77 PolarHBondContact OE2-NZ 2.98Å; E74-K77 VanDerWaalsContact OE2-NZ 3.09Å
75	A	48.8	Very low	77	Confident	92 Å²	92	88.3 Å²	88.3	76%	0.76	45%	0.451	S	S	*	.			trans	-46.4	115.7	168	0	0	0	0	0	106.2	L73 K77	L73-A75 PolarHBondContact O-N 2.81Å; A75-K77 PolarHBondContact O-N 2.85Å
76	A	50.3	Low	77.4	Confident	92 Å²	92	81.9 Å²	81.9	76%	0.76	43%	0.431	S	S	*	.			trans	-45	113.4	-166	0	0	0	0	0	108.9	E74 E78	E74-A76 PolarHBondContact O-N 3.19Å; A76-E78 PolarHBondContact O-N 2.78Å; A76-E78 VanDerWaalsContact O-N 3.17Å
77	K	63.9	Low	77.8	Confident	147 Å²	147	80.7 Å²	80.7	64%	0.639	43%	0.425	S	S	*	.			trans	-47.2	129.8	173.1	-75.1	176	175.5	132.3	0	106	E74 A75 P79	E74-K77 WeakPolarHBondContact OE1-CE 3.49Å; E74-K77 IonicContact OE1-NZ 2.7Å; E74-K77 PolarHBondContact OE1-NZ 2.93Å; E74-K77 IonicContact OE2-NZ 3.09Å; E74-K77 PolarHBondContact OE2-NZ 2.98Å; E74-K77 VanDerWaalsContact OE2-NZ 3.09Å; A75-K77 PolarHBondContact O-N 2.85Å; K77-P79 VanDerWaalsContact O-N 3.08Å
78	E	68.1	Low	78.3	Confident	145 Å²	145	83.2 Å²	83.2	68%	0.678	45%	0.446	S	S	*	.			trans	-45.8	125.6	-175.5	-80.8	-172.7	160.2	0	0	109.3	A76 C80	A76-E78 PolarHBondContact O-N 2.78Å; A76-E78 VanDerWaalsContact O-N 3.17Å; E78-C80 PolarHBondContact O-N 2.86Å; E78-C80 VanDerWaalsContact O-N 3.12Å
79	P	82.1	Confident	79	Confident	66 Å²	66	80.5 Å²	80.5	43%	0.429	44%	0.44	S	S	.	.			trans	-57.3	125.4	-174.4	12.2	-22	0	0	0	109	K77 M81 I190	K77-P79 VanDerWaalsContact O-N 3.08Å; P79-M81 HydrophobicContact CB-CE 3.79Å; P79-M81 HydrophobicContact CG-CE 3.52Å; P79-M81 PolarHBondContact O-N 2.83Å; P79-I190 HydrophobicContact CB-CD1 4.13Å; P79-I190 HydrophobicContact CB-CG1 4.48Å
80	C	91.6	Very high	79.6	Confident	12 Å²	12	81.9 Å²	81.9	8%	0.081	44%	0.443	C	S	.	.			trans	-70	107.9	-179.3	-174.3	0	0	0	0	109.1	E78 C100 I190 L191	E78-C80 PolarHBondContact O-N 2.86Å; E78-C80 VanDerWaalsContact O-N 3.12Å; C80-C100 HydrophobicContact CB-CB 3.72Å; C80-C100 WeakPolarHBondContact CB-SG 3.47Å; C80-C100 WeakPolarHBondContact SG-CB 3.39Å; C80-C100 PolarHBondContact SG-N 3.48Å; C80-C100 CovalentContact SG-SG 1.99Å; C80-C100 PolarHBondContact SG-SG 3.33Å; C80-I190 WeakPolarHBondContact O-CA 3.48Å; C80-L191 HydrophobicContact CB-CB 4.22Å; C80-L191 PolarHBondContact O-N 3.03Å
81	M	94.2	Very high	80.8	Confident	62 Å²	62	76.5 Å²	76.5	31%	0.305	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	147.5	-175.2	65.6	178.4	66.5	0	0	111.8	P79 A94 I189 I190	P79-M81 HydrophobicContact CB-CE 3.79Å; P79-M81 HydrophobicContact CG-CE 3.52Å; P79-M81 PolarHBondContact O-N 2.83Å; M81-A94 HydrophobicContact CG-CB 3.79Å; M81-A94 PolarHBondContact O-N 2.79Å; M81-I189 VanDerWaalsContact CA-O 3.25Å; M81-I189 WeakPolarHBondContact CA-O 3.37Å; M81-I190 HydrophobicContact CB-CB 4.41Å; M81-I190 HydrophobicContact CB-CG1 4.44Å; M81-I190 HydrophobicContact CE-CD1 4.24Å
82	A	96	Very high	82.1	Confident	2 Å²	2	73.9 Å²	73.9	2%	0.017	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	141.3	173.4	0	0	0	0	0	109.9	W91 Q92 M93 V101 G188 I189	A82-W91 HydrophobicContact CB-CE3 3.93Å; A82-W91 HydrophobicContact CB-CZ3 3.89Å; A82-Q92 CarbonylContact C-O 3.5Å; A82-Q92 WeakPolarHBondContact CA-O 3.09Å; A82-M93 HydrophobicContact CB-CG 3.92Å; A82-V101 HydrophobicContact CB-CG2 3.86Å; A82-G188 CarbonylContact O-C 3.6Å; A82-G188 WeakPolarHBondContact O-CA 3.45Å; A82-I189 HydrophobicContact CB-CG2 4.35Å; A82-I189 PolarHBondContact N-O 3.31Å; A82-I189 PolarHBondContact O-N 3.09Å
83	K	97.4	Very high	83.6	Confident	55 Å²	55	70 Å²	70	24%	0.239	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	128.8	177	-179.4	-173.4	177.8	-174.6	0	109.7	G85 W91 Q92 Y186 W187	K83-G85 VanDerWaalsContact CE-O 3.31Å; K83-G85 WeakPolarHBondContact CE-O 3.45Å; K83-W91 CarbonylContact O-C 3.56Å; K83-W91 WeakPolarHBondContact O-CA 3.44Å; K83-Q92 PolarHBondContact N-O 2.84Å; K83-Q92 PolarHBondContact O-N 2.7Å; K83-Y186 HydrophobicContact CD-CD2 4.44Å; K83-Y186 VanDerWaalsContact CE-CD2 3.41Å; K83-Y186 HydrophobicContact CG-CD2 4.5Å; K83-W187 CarbonylContact C-O 3.57Å; K83-W187 WeakPolarHBondContact CA-O 3.15Å
84	F	98.3	Very high	84.9	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133	168.5	-170.9	-86.6	0	0	0	110.1	L87 K90 W91 D106 W107 Y186 W187	F84-L87 HydrophobicContact CE1-CD2 4.26Å; F84-L87 HydrophobicContact CZ-CD2 4.25Å; F84-K90 HydrophobicContact CE2-CB 3.94Å; F84-K90 HydrophobicContact CE2-CG 4.29Å; F84-W91 HydrophobicContact CB-CD2 3.95Å; F84-W91 HydrophobicContact CB-CE3 3.89Å; F84-W91 HydrophobicContact CB-CH2 3.76Å; F84-W91 HydrophobicContact CB-CZ2 3.85Å; F84-W91 HydrophobicContact CB-CZ3 3.81Å; F84-W91 AromaticContact CD2-CD1 3.63Å; F84-W91 AromaticContact CD2-CD2 3.85Å; F84-W91 HydrophobicContact CD2-CD2 3.85Å; F84-W91 AromaticContact CD2-CE2 3.67Å; F84-W91 AromaticContact CD2-CG 3.83Å; F84-W91 HydrophobicContact CD2-CG 3.83Å; F84-W91 HydrophobicContact CD2-CZ2 4.25Å; F84-W91 AromaticContact CD2-NE1 3.55Å; F84-W91 HydrophobicContact CG-CD2 4.41Å; F84-W91 HydrophobicContact CG-CZ2 4.39Å; F84-D106 HydrophobicContact CE2-CB 3.82Å; F84-D106 HydrophobicContact CZ-CB 3.59Å; F84-W107 AromaticContact CD1-CD2 3.45Å; F84-W107 HydrophobicContact CD1-CD2 3.45Å; F84-W107 VanDerWaalsContact CD1-CD2 3.45Å; F84-W107 AromaticContact CD1-CE2 3.61Å; F84-W107 AromaticContact CD1-CE3 3.53Å; F84-W107 HydrophobicContact CD1-CE3 3.53Å; F84-W107 HydrophobicContact CD1-CG 4.05Å; F84-W107 AromaticContact CD1-CH2 3.87Å; F84-W107 HydrophobicContact CD1-CH2 3.87Å; F84-W107 AromaticContact CD1-CZ2 3.83Å; F84-W107 HydrophobicContact CD1-CZ2 3.83Å; F84-W107 AromaticContact CD1-CZ3 3.73Å; F84-W107 HydrophobicContact CD1-CZ3 3.73Å; F84-W107 AromaticContact CE1-CD1 3.88Å; F84-W107 AromaticContact CE1-CD2 3.5Å; F84-W107 HydrophobicContact CE1-CD2 3.5Å; F84-W107 VanDerWaalsContact CE1-CD2 3.5Å; F84-W107 AromaticContact CE1-CE2 3.2Å; F84-W107 HydrophobicContact CE1-CE3 4.05Å; F84-W107 AromaticContact CE1-CG 3.92Å; F84-W107 HydrophobicContact CE1-CG 3.92Å; F84-W107 HydrophobicContact CE1-CH2 4.03Å; F84-W107 AromaticContact CE1-CZ2 3.51Å; F84-W107 HydrophobicContact CE1-CZ2 3.51Å; F84-W107 HydrophobicContact CE1-CZ3 4.29Å; F84-W107 AromaticContact CE1-NE1 3.45Å; F84-W107 HydrophobicContact CG-CD2 4.45Å; F84-W107 HydrophobicContact CG-CE3 4.44Å; F84-W107 HydrophobicContact CZ-CD2 4.5Å; F84-Y186 VanDerWaalsContact O-CA 3.3Å; F84-Y186 WeakPolarHBondContact O-CA 3.46Å; F84-Y186 WeakPolarHBondContact O-CB 3.08Å; F84-W187 PolarHBondContact N-O 3.36Å; F84-W187 PolarHBondContact O-N 2.84Å; F84-W187 VanDerWaalsContact O-N 3.16Å
85	G	97.4	Very high	86.4	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	36%	0.361	C	S	.	.			trans	79.1	-175.8	177.7	0	0	0	0	0	113.8	K83 S89 K90 Q92	K83-G85 VanDerWaalsContact CE-O 3.31Å; K83-G85 WeakPolarHBondContact CE-O 3.45Å; G85-S89 WeakPolarHBondContact CA-O 3.48Å; G85-S89 PolarHBondContact N-O 2.91Å; G85-K90 PolarHBondContact N-O 3.36Å; G85-Q92 PolarHBondContact O-NE2 2.75Å
86	P	97.7	Very high	87.7	Confident	36 Å²	36	63.4 Å²	63.4	23%	0.234	36%	0.361	C	S	.	.	S	Bend	cis	-65.7	153.4	-10.1	26.9	-32.3	0	0	0	112.1	S89 N183 T185	P86-S89 VanDerWaalsContact O-CB 3.26Å; P86-S89 WeakPolarHBondContact O-CB 3.15Å; P86-S89 PolarHBondContact O-N 3.23Å; P86-N183 VanDerWaalsContact CB-C 3.45Å; P86-N183 VanDerWaalsContact CB-O 3.24Å; P86-N183 WeakPolarHBondContact CB-O 3.38Å; P86-T185 VanDerWaalsContact CA-O 3.29Å; P86-T185 WeakPolarHBondContact CA-O 3.42Å
87	L	96.3	Very high	89	Confident	56 Å²	56	67 Å²	67	29%	0.293	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	142.2	178.8	-71.8	-172.4	0	0	0	111	F84 K182 N183	F84-L87 HydrophobicContact CE1-CD2 4.26Å; F84-L87 HydrophobicContact CZ-CD2 4.25Å; L87-K182 HydrophobicContact CB-CB 4.33Å; L87-K182 HydrophobicContact CD1-CB 3.76Å; L87-K182 HydrophobicContact CD1-CD 3.67Å; L87-K182 HydrophobicContact CD1-CG 4.36Å; L87-K182 HydrophobicContact CG-CB 4.1Å; L87-K182 PolarHBondContact N-O 2.6Å; L87-N183 WeakPolarHBondContact O-CA 3.39Å
88	P	96.1	Very high	89.8	Confident	123 Å²	123	60.4 Å²	60.4	80%	0.799	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	cis	-82.1	-5.2	14.8	33.9	-37.4	0	0	0	115.4	K90	P88-K90 PolarHBondContact O-N 2.91Å
89	S	94.9	Very high	90.6	Very high	53 Å²	53	58 Å²	58	37%	0.371	33%	0.332	S	S	.	.			trans	-65.6	124.1	179.2	-52.8	0	0	0	0	110.3	G85 P86 Q92	G85-S89 WeakPolarHBondContact CA-O 3.48Å; G85-S89 PolarHBondContact N-O 2.91Å; P86-S89 VanDerWaalsContact O-CB 3.26Å; P86-S89 WeakPolarHBondContact O-CB 3.15Å; P86-S89 PolarHBondContact O-N 3.23Å; S89-Q92 VanDerWaalsContact CB-NE2 3.29Å
90	K	96	Very high	91.1	Very high	115 Å²	115	54.9 Å²	54.9	50%	0.5	31%	0.311	S	S	.	.			trans	-86.2	-141.1	172.2	-66	-171.2	169.4	-123.4	0	109.5	F84 G85 P88 Q92 D106	F84-K90 HydrophobicContact CE2-CB 3.94Å; F84-K90 HydrophobicContact CE2-CG 4.29Å; G85-K90 PolarHBondContact N-O 3.36Å; P88-K90 PolarHBondContact O-N 2.91Å; K90-Q92 PolarHBondContact O-N 2.87Å; K90-Q92 PolarHBondContact O-NE2 2.76Å; K90-D106 VanDerWaalsContact NZ-CG 3.32Å; K90-D106 IonicContact NZ-OD1 2.88Å; K90-D106 PolarHBondContact NZ-OD1 2.84Å; K90-D106 IonicContact NZ-OD2 2.89Å; K90-D106 PolarHBondContact NZ-OD2 2.87Å
91	W	96	Very high	91.3	Very high	32 Å²	32	54.5 Å²	54.5	12%	0.121	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	116.4	172.2	-74.6	109.8	0	0	0	111.5	A82 K83 F84 K103 S105 L109 W187	A82-W91 HydrophobicContact CB-CE3 3.93Å; A82-W91 HydrophobicContact CB-CZ3 3.89Å; K83-W91 CarbonylContact O-C 3.56Å; K83-W91 WeakPolarHBondContact O-CA 3.44Å; F84-W91 HydrophobicContact CB-CD2 3.95Å; F84-W91 HydrophobicContact CB-CE3 3.89Å; F84-W91 HydrophobicContact CB-CH2 3.76Å; F84-W91 HydrophobicContact CB-CZ2 3.85Å; F84-W91 HydrophobicContact CB-CZ3 3.81Å; F84-W91 AromaticContact CD2-CD1 3.63Å; F84-W91 AromaticContact CD2-CD2 3.85Å; F84-W91 HydrophobicContact CD2-CD2 3.85Å; F84-W91 AromaticContact CD2-CE2 3.67Å; F84-W91 AromaticContact CD2-CG 3.83Å; F84-W91 HydrophobicContact CD2-CG 3.83Å; F84-W91 HydrophobicContact CD2-CZ2 4.25Å; F84-W91 AromaticContact CD2-NE1 3.55Å; F84-W91 HydrophobicContact CG-CD2 4.41Å; F84-W91 HydrophobicContact CG-CZ2 4.39Å; W91-K103 HydrophobicContact CB-CB 4.42Å; W91-K103 HydrophobicContact CB-CD 4.17Å; W91-K103 VanDerWaalsContact CD1-CB 3.48Å; W91-K103 HydrophobicContact CD2-CB 4.3Å; W91-K103 HydrophobicContact CG-CB 3.81Å; W91-K103 HydrophobicContact CG-CD 4.34Å; W91-S105 PolarHBondContact NE1-O 2.87Å; W91-L109 HydrophobicContact CH2-CB 3.99Å; W91-L109 HydrophobicContact CH2-CD2 3.68Å; W91-L109 HydrophobicContact CH2-CG 4.3Å; W91-L109 HydrophobicContact CZ2-CB 4.01Å; W91-L109 HydrophobicContact CZ3-CD2 4.07Å; W91-W187 HydrophobicContact CH2-CH2 4.08Å; W91-W187 AromaticContact CH2-CZ2 3.67Å; W91-W187 HydrophobicContact CH2-CZ2 3.67Å; W91-W187 HydrophobicContact CZ2-CZ2 4.17Å
92	Q	94.4	Very high	91.4	Very high	80 Å²	80	55.2 Å²	55.2	37%	0.374	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.1	167.4	-62.1	135.9	80.1	0	0	106.9	A82 K83 G85 S89 K90	A82-Q92 CarbonylContact C-O 3.5Å; A82-Q92 WeakPolarHBondContact CA-O 3.09Å; K83-Q92 PolarHBondContact N-O 2.84Å; K83-Q92 PolarHBondContact O-N 2.7Å; G85-Q92 PolarHBondContact O-NE2 2.75Å; S89-Q92 VanDerWaalsContact CB-NE2 3.29Å; K90-Q92 PolarHBondContact O-N 2.87Å; K90-Q92 PolarHBondContact O-NE2 2.76Å
93	M	91	Very high	91.3	Very high	49 Å²	49	60.6 Å²	60.6	24%	0.241	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147.8	-178	-63.7	-177.7	-69.8	0	0	108.3	A82 S95 P98 K103	A82-M93 HydrophobicContact CB-CG 3.92Å; M93-S95 VanDerWaalsContact C-N 3.28Å; M93-S95 WeakPolarHBondContact CB-O 3.44Å; M93-S95 PolarHBondContact O-N 3.03Å; M93-P98 HydrophobicContact CB-CG 4.1Å; M93-P98 HydrophobicContact CG-CG 4.13Å; M93-P98 VanDerWaalsContact SD-CD 3.52Å; M93-P98 HydrophobicContact SD-CG 3.54Å; M93-P98 VanDerWaalsContact SD-CG 3.54Å; M93-K103 HydrophobicContact CE-CD 4.24Å
94	A	82.8	Confident	91.3	Very high	48 Å²	48	61.6 Å²	61.6	40%	0.397	35%	0.347	S	S	.	.	S	Bend	trans	-61.6	-39.8	179.1	0	0	0	0	0	111.8	M81	M81-A94 HydrophobicContact CG-CB 3.79Å; M81-A94 PolarHBondContact O-N 2.79Å
95	S	81.3	Confident	91.2	Very high	48 Å²	48	64.5 Å²	64.5	34%	0.336	37%	0.367	S	S	.	.	S	Bend	trans	-113	156.1	170.3	172.5	0	0	0	0	110.3	M93 Q97	M93-S95 VanDerWaalsContact C-N 3.28Å; M93-S95 WeakPolarHBondContact CB-O 3.44Å; M93-S95 PolarHBondContact O-N 3.03Å; S95-Q97 PolarHBondContact O-N 3.25Å; S95-Q97 PolarHBondContact OG-N 2.81Å; S95-Q97 PolarHBondContact OG-O 2.77Å
96	S	76.4	Confident	91.2	Very high	111 Å²	111	67.9 Å²	67.9	78%	0.776	39%	0.385	S	S	*	.	S	Bend	trans	-55.3	-31.7	172.8	62.8	0	0	0	0	112.9
97	Q	76.6	Confident	91.2	Very high	167 Å²	167	67 Å²	67	78%	0.78	38%	0.377	S	S	*	.	S	Bend	trans	-138.4	90.6	173.7	-71.7	-179	-12.3	0	0	108.5	S95	S95-Q97 PolarHBondContact O-N 3.25Å; S95-Q97 PolarHBondContact OG-N 2.81Å; S95-Q97 PolarHBondContact OG-O 2.77Å
98	P	80.9	Confident	91.3	Very high	9 Å²	9	67 Å²	67	6%	0.058	38%	0.375	C	S	.	.			trans	-69.6	139.4	177	28.2	-30.8	0	0	0	109.8	M93 C100 V101	M93-P98 HydrophobicContact CB-CG 4.1Å; M93-P98 HydrophobicContact CG-CG 4.13Å; M93-P98 VanDerWaalsContact SD-CD 3.52Å; M93-P98 HydrophobicContact SD-CG 3.54Å; M93-P98 VanDerWaalsContact SD-CG 3.54Å; P98-C100 PolarHBondContact O-N 2.79Å; P98-V101 HydrophobicContact CB-CG2 4.36Å; P98-V101 HydrophobicContact CG-CG2 3.76Å
99	P	85.4	Confident	91.4	Very high	95 Å²	95	61.2 Å²	61.2	62%	0.617	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-20	-174.5	27.7	-35.3	0	0	0	113.5	L112	P99-L112 WeakPolarHBondContact O-CB 3.49Å
100	C	92.7	Very high	91.6	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-12.7	-170.6	80.6	0	0	0	0	115	C80 P98 L112 Q113 Y117 L191	C80-C100 HydrophobicContact CB-CB 3.72Å; C80-C100 WeakPolarHBondContact CB-SG 3.47Å; C80-C100 WeakPolarHBondContact SG-CB 3.39Å; C80-C100 PolarHBondContact SG-N 3.48Å; C80-C100 CovalentContact SG-SG 1.99Å; C80-C100 PolarHBondContact SG-SG 3.33Å; P98-C100 PolarHBondContact O-N 2.79Å; C100-L112 PolarHBondContact O-N 2.92Å; C100-Q113 HydrophobicContact CB-CB 3.91Å; C100-Y117 HydrophobicContact CB-CE1 4.41Å; C100-Y117 WeakPolarHBondContact CB-OH 3.23Å; C100-Y117 PolarHBondContact O-OH 2.99Å; C100-L191 HydrophobicContact CB-CD2 4.04Å
101	V	95.9	Very high	91.6	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.018	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	151.5	-178.4	-65.1	0	0	0	0	112.2	A82 P98 L109 E110 I111 Y117 I189	A82-V101 HydrophobicContact CB-CG2 3.86Å; P98-V101 HydrophobicContact CB-CG2 4.36Å; P98-V101 HydrophobicContact CG-CG2 3.76Å; V101-L109 HydrophobicContact CB-CD1 4.48Å; V101-L109 HydrophobicContact CG1-CD1 4.08Å; V101-E110 CarbonylContact C-O 3.51Å; V101-E110 VanDerWaalsContact CA-O 3.23Å; V101-E110 WeakPolarHBondContact CA-O 3.26Å; V101-I111 HydrophobicContact CG1-CD1 3.9Å; V101-Y117 HydrophobicContact CG1-CE1 4.36Å; V101-I189 HydrophobicContact CG1-CG2 4.14Å
102	N	95.6	Very high	91.7	Very high	77 Å²	77	58.2 Å²	58.2	41%	0.412	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	142.7	169.6	-171	26.2	0	0	0	110.4	L109 E110 L112	N102-L109 CarbonylContact O-C 3.54Å; N102-L109 WeakPolarHBondContact O-CA 3.36Å; N102-L109 WeakPolarHBondContact O-CB 3.29Å; N102-E110 HydrophobicContact CB-CB 4.46Å; N102-E110 PolarHBondContact N-O 2.97Å; N102-E110 PolarHBondContact O-N 2.86Å; N102-L112 HydrophobicContact CB-CD1 3.99Å; N102-L112 HydrophobicContact CB-CD2 4.09Å; N102-L112 HydrophobicContact CB-CG 4.1Å
103	K	95.1	Very high	91.6	Very high	116 Å²	116	57 Å²	57	50%	0.504	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	131.2	171	61.8	-177.6	-178.5	-177.3	0	109.4	W91 M93	W91-K103 HydrophobicContact CB-CB 4.42Å; W91-K103 HydrophobicContact CB-CD 4.17Å; W91-K103 VanDerWaalsContact CD1-CB 3.48Å; W91-K103 HydrophobicContact CD2-CB 4.3Å; W91-K103 HydrophobicContact CG-CB 3.81Å; W91-K103 HydrophobicContact CG-CD 4.34Å; M93-K103 HydrophobicContact CE-CD 4.24Å
104	V	96.1	Very high	91.8	Very high	75 Å²	75	56.3 Å²	56.3	46%	0.455	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-53.6	177.9	178.5	0	0	0	0	110	K108 E110	V104-K108 HydrophobicContact CB-CB 4.42Å; V104-K108 HydrophobicContact CB-CD 4.26Å; V104-K108 HydrophobicContact CB-CG 4.1Å; V104-K108 HydrophobicContact CG1-CD 4.03Å; V104-K108 HydrophobicContact CG1-CG 4.42Å; V104-K108 PolarHBondContact N-O 2.86Å; V104-E110 HydrophobicContact CG2-CB 3.65Å
105	S	97.1	Very high	92.4	Very high	61 Å²	61	54 Å²	54	43%	0.427	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	-176.9	177.6	61.7	0	0	0	0	110	W91 W107 K108	W91-S105 PolarHBondContact NE1-O 2.87Å; S105-W107 PolarHBondContact O-N 3.18Å; S105-K108 PolarHBondContact N-O 3.32Å; S105-K108 PolarHBondContact O-N 3.48Å; S105-K108 VanDerWaalsContact O-O 3.05Å; S105-K108 WeakPolarHBondContact OG-CB 3.36Å
106	D	97.5	Very high	93.1	Very high	71 Å²	71	54.2 Å²	54.2	38%	0.38	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	135.9	168	-70.6	-7.4	0	0	0	108.7	F84 K90 K108	F84-D106 HydrophobicContact CE2-CB 3.82Å; F84-D106 HydrophobicContact CZ-CB 3.59Å; K90-D106 VanDerWaalsContact NZ-CG 3.32Å; K90-D106 IonicContact NZ-OD1 2.88Å; K90-D106 PolarHBondContact NZ-OD1 2.84Å; K90-D106 IonicContact NZ-OD2 2.89Å; K90-D106 PolarHBondContact NZ-OD2 2.87Å; D106-K108 PolarHBondContact O-N 2.85Å
107	W	98	Very high	94.2	Very high	18 Å²	18	48.9 Å²	48.9	7%	0.068	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	1.2	-177.9	-52	97.2	0	0	0	117.8	F84 S105 L172 F174 K182 T185 W187	F84-W107 AromaticContact CD1-CD2 3.45Å; F84-W107 HydrophobicContact CD1-CD2 3.45Å; F84-W107 VanDerWaalsContact CD1-CD2 3.45Å; F84-W107 AromaticContact CD1-CE2 3.61Å; F84-W107 AromaticContact CD1-CE3 3.53Å; F84-W107 HydrophobicContact CD1-CE3 3.53Å; F84-W107 HydrophobicContact CD1-CG 4.05Å; F84-W107 AromaticContact CD1-CH2 3.87Å; F84-W107 HydrophobicContact CD1-CH2 3.87Å; F84-W107 AromaticContact CD1-CZ2 3.83Å; F84-W107 HydrophobicContact CD1-CZ2 3.83Å; F84-W107 AromaticContact CD1-CZ3 3.73Å; F84-W107 HydrophobicContact CD1-CZ3 3.73Å; F84-W107 AromaticContact CE1-CD1 3.88Å; F84-W107 AromaticContact CE1-CD2 3.5Å; F84-W107 HydrophobicContact CE1-CD2 3.5Å; F84-W107 VanDerWaalsContact CE1-CD2 3.5Å; F84-W107 AromaticContact CE1-CE2 3.2Å; F84-W107 HydrophobicContact CE1-CE3 4.05Å; F84-W107 AromaticContact CE1-CG 3.92Å; F84-W107 HydrophobicContact CE1-CG 3.92Å; F84-W107 HydrophobicContact CE1-CH2 4.03Å; F84-W107 AromaticContact CE1-CZ2 3.51Å; F84-W107 HydrophobicContact CE1-CZ2 3.51Å; F84-W107 HydrophobicContact CE1-CZ3 4.29Å; F84-W107 AromaticContact CE1-NE1 3.45Å; F84-W107 HydrophobicContact CG-CD2 4.45Å; F84-W107 HydrophobicContact CG-CE3 4.44Å; F84-W107 HydrophobicContact CZ-CD2 4.5Å; S105-W107 PolarHBondContact O-N 3.18Å; W107-L172 HydrophobicContact CB-CB 4.47Å; W107-L172 HydrophobicContact CE3-CB 4.41Å; W107-L172 HydrophobicContact CE3-CD2 3.85Å; W107-L172 HydrophobicContact CZ3-CD2 3.99Å; W107-L172 PolarHBondContact O-N 2.96Å; W107-F174 AromaticContact CD2-CE2 3.77Å; W107-F174 HydrophobicContact CD2-CE2 3.77Å; W107-F174 AromaticContact CD2-CZ 3.79Å; W107-F174 HydrophobicContact CD2-CZ 3.79Å; W107-F174 AromaticContact CE2-CE2 3.59Å; W107-F174 AromaticContact CE2-CZ 3.81Å; W107-F174 HydrophobicContact CE3-CE2 4.29Å; W107-F174 AromaticContact CE3-CZ 3.83Å; W107-F174 HydrophobicContact CE3-CZ 3.83Å; W107-F174 HydrophobicContact CG-CE2 4.07Å; W107-F174 HydrophobicContact CG-CZ 4.46Å; W107-F174 HydrophobicContact CH2-CZ 4Å; W107-F174 HydrophobicContact CZ2-CE2 4.02Å; W107-F174 AromaticContact CZ2-CZ 3.93Å; W107-F174 HydrophobicContact CZ2-CZ 3.93Å; W107-F174 AromaticContact CZ3-CZ 3.94Å; W107-F174 HydrophobicContact CZ3-CZ 3.94Å; W107-F174 AromaticContact NE1-CE2 3.77Å; W107-K182 HydrophobicContact CZ2-CG 4.49Å; W107-T185 HydrophobicContact CH2-CG2 3.77Å; W107-T185 WeakPolarHBondContact CH2-O 3.3Å; W107-T185 HydrophobicContact CZ3-CG2 3.99Å; W107-W187 AromaticContact CE3-CD1 3.53Å; W107-W187 AromaticContact CE3-NE1 3.81Å; W107-W187 AromaticContact CZ3-CD1 3.9Å; W107-W187 VanDerWaalsContact O-CZ2 3.25Å; W107-W187 WeakPolarHBondContact O-CZ2 3.27Å; W107-W187 PolarHBondContact O-NE1 1.99Å
108	K	98.4	Very high	95.2	Very high	55 Å²	55	43.9 Å²	43.9	24%	0.239	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	134.3	-177.7	-170.7	178.1	-173.9	157.5	0	113.9	V104 S105 D106 I170 D171	V104-K108 HydrophobicContact CB-CB 4.42Å; V104-K108 HydrophobicContact CB-CD 4.26Å; V104-K108 HydrophobicContact CB-CG 4.1Å; V104-K108 HydrophobicContact CG1-CD 4.03Å; V104-K108 HydrophobicContact CG1-CG 4.42Å; V104-K108 PolarHBondContact N-O 2.86Å; S105-K108 PolarHBondContact N-O 3.32Å; S105-K108 PolarHBondContact O-N 3.48Å; S105-K108 VanDerWaalsContact O-O 3.05Å; S105-K108 WeakPolarHBondContact OG-CB 3.36Å; D106-K108 PolarHBondContact O-N 2.85Å; K108-I170 WeakPolarHBondContact CA-O 3.33Å; K108-D171 HydrophobicContact CB-CB 4.39Å; K108-D171 HydrophobicContact CD-CB 4.37Å; K108-D171 WeakPolarHBondContact CD-OD2 3.49Å; K108-D171 HydrophobicContact CG-CB 4.02Å; K108-D171 IonicContact NZ-OD2 2.6Å
109	L	97.3	Very high	96	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	163.1	173.1	70.7	82.5	0	0	0	112.2	W91 V101 N102 I111 T169 I170 W187 I189	W91-L109 HydrophobicContact CH2-CB 3.99Å; W91-L109 HydrophobicContact CH2-CD2 3.68Å; W91-L109 HydrophobicContact CH2-CG 4.3Å; W91-L109 HydrophobicContact CZ2-CB 4.01Å; W91-L109 HydrophobicContact CZ3-CD2 4.07Å; V101-L109 HydrophobicContact CB-CD1 4.48Å; V101-L109 HydrophobicContact CG1-CD1 4.08Å; N102-L109 CarbonylContact O-C 3.54Å; N102-L109 WeakPolarHBondContact O-CA 3.36Å; N102-L109 WeakPolarHBondContact O-CB 3.29Å; L109-I111 HydrophobicContact CD1-CD1 3.54Å; L109-I111 HydrophobicContact CD1-CG1 4.23Å; L109-T169 CarbonylContact O-C 3.42Å; L109-T169 VanDerWaalsContact O-CA 3.29Å; L109-T169 WeakPolarHBondContact O-CA 3.42Å; L109-I170 HydrophobicContact CD1-CB 4.07Å; L109-I170 HydrophobicContact CD1-CG1 4.12Å; L109-I170 HydrophobicContact CG-CB 4.16Å; L109-I170 PolarHBondContact N-O 2.87Å; L109-I170 PolarHBondContact O-N 3.36Å; L109-W187 HydrophobicContact CD2-CH2 3.31Å; L109-W187 HydrophobicContact CD2-CZ2 4.15Å; L109-W187 HydrophobicContact CD2-CZ3 3.77Å; L109-W187 HydrophobicContact CG-CH2 3.68Å; L109-W187 HydrophobicContact CG-CZ2 4.38Å; L109-I189 HydrophobicContact CD2-CB 4.26Å; L109-I189 HydrophobicContact CD2-CG2 3.55Å
110	E	98.3	Very high	96.6	Very high	64 Å²	64	42.9 Å²	42.9	30%	0.299	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.7	171.8	178	179.6	-159.3	0	0	109.6	V101 N102 V104 D168 T169	V101-E110 CarbonylContact C-O 3.51Å; V101-E110 VanDerWaalsContact CA-O 3.23Å; V101-E110 WeakPolarHBondContact CA-O 3.26Å; N102-E110 HydrophobicContact CB-CB 4.46Å; N102-E110 PolarHBondContact N-O 2.97Å; N102-E110 PolarHBondContact O-N 2.86Å; V104-E110 HydrophobicContact CG2-CB 3.65Å; E110-D168 CarbonylContact C-O 3.55Å; E110-D168 WeakPolarHBondContact CA-O 3.39Å; E110-T169 HydrophobicContact CB-CG2 4.34Å
111	I	97.9	Very high	96.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	128	178.2	-58.1	-61.1	0	0	0	109.4	V101 L109 Q113 Y117 L164 H165 V166 G167 D168 I170 I189	V101-I111 HydrophobicContact CG1-CD1 3.9Å; L109-I111 HydrophobicContact CD1-CD1 3.54Å; L109-I111 HydrophobicContact CD1-CG1 4.23Å; I111-Q113 WeakPolarHBondContact CG2-O 3.36Å; I111-Y117 HydrophobicContact CD1-CE1 4.26Å; I111-Y117 HydrophobicContact CG2-CE2 4Å; I111-L164 HydrophobicContact CD1-CB 4.43Å; I111-L164 HydrophobicContact CD1-CD1 3.61Å; I111-L164 HydrophobicContact CG1-CB 4.03Å; I111-L164 HydrophobicContact CG1-CD1 3.89Å; I111-L164 HydrophobicContact CG2-CB 4.25Å; I111-H165 WeakPolarHBondContact CB-O 3.33Å; I111-H165 WeakPolarHBondContact CG2-O 3.39Å; I111-V166 WeakPolarHBondContact O-CA 3.42Å; I111-G167 PolarHBondContact O-N 3.39Å; I111-D168 HydrophobicContact CB-CB 4.22Å; I111-D168 HydrophobicContact CG1-CB 3.99Å; I111-D168 WeakPolarHBondContact CG1-O 3.18Å; I111-D168 PolarHBondContact N-O 3.24Å; I111-I170 HydrophobicContact CD1-CG1 4.47Å; I111-I189 HydrophobicContact CD1-CD1 3.85Å
112	L	96.3	Very high	97	Very high	74 Å²	74	44.6 Å²	44.6	39%	0.387	23%	0.227	S	C	.	.			trans	-107.3	-8.4	-180	-59.6	-176.2	0	0	0	113.4	P99 C100 N102 V166	P99-L112 WeakPolarHBondContact O-CB 3.49Å; C100-L112 PolarHBondContact O-N 2.92Å; N102-L112 HydrophobicContact CB-CD1 3.99Å; N102-L112 HydrophobicContact CB-CD2 4.09Å; N102-L112 HydrophobicContact CB-CG 4.1Å; L112-V166 WeakPolarHBondContact O-CG2 3.4Å
113	Q	94.1	Very high	97.2	Very high	54 Å²	54	41 Å²	41	25%	0.252	21%	0.207	S	C	.	.	S	Bend	trans	-137.1	135.4	-178.8	-173.8	175.2	-3	0	0	110	C100 I111 Y117 N194	C100-Q113 HydrophobicContact CB-CB 3.91Å; I111-Q113 WeakPolarHBondContact CG2-O 3.36Å; Q113-Y117 WeakPolarHBondContact O-CE2 3.49Å; Q113-Y117 PolarHBondContact O-OH 3.46Å; Q113-N194 PolarHBondContact NE2-ND2 3.2Å
114	N	95	Very high	97.3	Very high	35 Å²	35	35.5 Å²	35.5	19%	0.187	18%	0.184	C	C	.	.			trans	-66.5	140.4	172.3	-64.2	-33.3	0	0	0	110.6	L164 H165 V166 I198 S199	N114-L164 WeakPolarHBondContact CA-O 3.37Å; N114-H165 WeakPolarHBondContact OD1-CA 3.47Å; N114-H165 WeakPolarHBondContact OD1-CB 3.25Å; N114-V166 WeakPolarHBondContact OD1-CG2 2.97Å; N114-V166 PolarHBondContact OD1-N 3.25Å; N114-I198 HydrophobicContact CB-CG2 4.21Å; N114-I198 VanDerWaalsContact CB-O 3.23Å; N114-I198 WeakPolarHBondContact CB-O 3.48Å; N114-S199 WeakPolarHBondContact ND2-CA 3.26Å; N114-S199 PolarHBondContact ND2-OXT 3.08Å
115	G	94.9	Very high	97.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.7	-175.1	172.7	0	0	0	0	0	115.3	Y117 L164 A193	G115-Y117 WeakPolarHBondContact O-CD2 3.4Å; G115-L164 PolarHBondContact N-O 3.49Å; G115-L164 PolarHBondContact O-N 2.9Å; G115-A193 CarbonylContact C-O 3.53Å; G115-A193 VanDerWaalsContact CA-O 3.27Å; G115-A193 WeakPolarHBondContact CA-O 3.4Å
116	L	96.6	Very high	97.4	Very high	51 Å²	51	31.6 Å²	31.6	27%	0.267	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	121	171	-167.8	73.8	0	0	0	108.9	T161 E163 L192 A193 I198	L116-T161 HydrophobicContact CD1-CG2 3.66Å; L116-T161 HydrophobicContact CD2-CG2 3.92Å; L116-T161 HydrophobicContact CG-CG2 3.71Å; L116-E163 HydrophobicContact CD1-CG 3.72Å; L116-L192 HydrophobicContact CD2-CD1 4.2Å; L116-L192 HydrophobicContact CG-CD1 4.41Å; L116-L192 WeakPolarHBondContact O-CB 3.37Å; L116-L192 PolarHBondContact O-N 3.02Å; L116-A193 PolarHBondContact N-O 2.95Å; L116-A193 PolarHBondContact O-N 3.18Å; L116-I198 HydrophobicContact CB-CD1 4.48Å
117	Y	97.6	Very high	97.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	147.2	-178	-72.2	-96.8	0	0	0	111.2	C100 V101 I111 Q113 G115 T161 Y162 L164 I189 I190 L191	C100-Y117 HydrophobicContact CB-CE1 4.41Å; C100-Y117 WeakPolarHBondContact CB-OH 3.23Å; C100-Y117 PolarHBondContact O-OH 2.99Å; V101-Y117 HydrophobicContact CG1-CE1 4.36Å; I111-Y117 HydrophobicContact CD1-CE1 4.26Å; I111-Y117 HydrophobicContact CG2-CE2 4Å; Q113-Y117 WeakPolarHBondContact O-CE2 3.49Å; Q113-Y117 PolarHBondContact O-OH 3.46Å; G115-Y117 WeakPolarHBondContact O-CD2 3.4Å; Y117-T161 CarbonylContact O-C 3.5Å; Y117-T161 VanDerWaalsContact O-CA 3.3Å; Y117-T161 WeakPolarHBondContact O-CA 3.25Å; Y117-Y162 PolarHBondContact N-O 2.86Å; Y117-Y162 PolarHBondContact O-N 2.8Å; Y117-L164 HydrophobicContact CD2-CB 3.69Å; Y117-L164 HydrophobicContact CD2-CD1 3.85Å; Y117-L164 HydrophobicContact CD2-CG 3.94Å; Y117-L164 HydrophobicContact CE2-CB 4.02Å; Y117-L164 HydrophobicContact CG-CD1 3.85Å; Y117-L164 HydrophobicContact CG-CG 4.37Å; Y117-I189 HydrophobicContact CD1-CD1 3.57Å; Y117-I189 HydrophobicContact CD1-CG1 3.76Å; Y117-I189 HydrophobicContact CE1-CD1 4.32Å; Y117-I189 HydrophobicContact CG-CD1 3.92Å; Y117-I189 HydrophobicContact CG-CG1 4.29Å; Y117-I190 WeakPolarHBondContact CA-O 3.42Å; Y117-L191 HydrophobicContact CD1-CB 4.09Å; Y117-L191 HydrophobicContact CD1-CD1 4.3Å; Y117-L191 HydrophobicContact CD2-CD1 4.21Å; Y117-L191 HydrophobicContact CE1-CB 3.76Å; Y117-L191 HydrophobicContact CE1-CD1 3.94Å; Y117-L191 HydrophobicContact CE1-CG 4.4Å; Y117-L191 HydrophobicContact CE2-CD1 3.78Å; Y117-L191 HydrophobicContact CG-CD1 4.47Å
118	L	98.3	Very high	96.9	Very high	61 Å²	61	37.9 Å²	37.9	32%	0.319	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.1	165.2	171.6	66.6	0	0	0	108.9	I189 I190 L192	L118-I189 CarbonylContact O-C 3.59Å; L118-I189 WeakPolarHBondContact O-CA 3.36Å; L118-I190 HydrophobicContact CB-CG2 3.72Å; L118-I190 HydrophobicContact CD2-CG2 4.17Å; L118-I190 HydrophobicContact CG-CG2 4.26Å; L118-I190 PolarHBondContact N-O 2.89Å; L118-I190 PolarHBondContact O-N 3.02Å; L118-L192 HydrophobicContact CB-CD1 3.92Å; L118-L192 HydrophobicContact CB-CD2 4.06Å; L118-L192 HydrophobicContact CB-CG 4.02Å
119	I	98.6	Very high	96.6	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	135.6	167.4	-59.1	172.6	0	0	0	107.5	L139 I146 G159 G160 Y162 I170 W187 G188 I189	I119-L139 HydrophobicContact CD1-CD2 4.18Å; I119-L139 HydrophobicContact CG2-CD1 4.49Å; I119-L139 HydrophobicContact CG2-CD2 4.03Å; I119-I146 HydrophobicContact CD1-CD1 4.34Å; I119-G159 CarbonylContact O-C 3.55Å; I119-G159 VanDerWaalsContact O-CA 3.28Å; I119-G159 WeakPolarHBondContact O-CA 3.49Å; I119-G160 PolarHBondContact N-O 2.77Å; I119-G160 PolarHBondContact O-N 3.47Å; I119-Y162 HydrophobicContact CB-CD2 4.47Å; I119-Y162 HydrophobicContact CB-CE2 4.46Å; I119-Y162 HydrophobicContact CD1-CD2 3.69Å; I119-Y162 HydrophobicContact CD1-CE2 3.99Å; I119-Y162 HydrophobicContact CG1-CD2 4.12Å; I119-I170 HydrophobicContact CD1-CD1 4.23Å; I119-I170 HydrophobicContact CD1-CG1 4.4Å; I119-I170 HydrophobicContact CD1-CG2 3.89Å; I119-W187 HydrophobicContact CG2-CE3 3.84Å; I119-W187 HydrophobicContact CG2-CZ3 4.11Å; I119-G188 WeakPolarHBondContact CA-O 3.41Å; I119-I189 HydrophobicContact CG1-CD1 3.98Å; I119-I189 HydrophobicContact CG1-CG1 3.95Å
120	Y	98.5	Very high	96.1	Very high	81 Å²	81	42.9 Å²	42.9	32%	0.318	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	157.3	177	67.8	-84.9	0	0	0	110.5	V158 Y186 W187 G188	Y120-V158 CarbonylContact C-O 3.55Å; Y120-V158 VanDerWaalsContact C-O 3.27Å; Y120-V158 WeakPolarHBondContact CA-O 3.5Å; Y120-Y186 HydrophobicContact CE2-CE2 4.48Å; Y120-W187 CarbonylContact O-C 3.58Å; Y120-W187 WeakPolarHBondContact O-CA 3.17Å; Y120-W187 WeakPolarHBondContact O-CB 3.2Å; Y120-G188 WeakPolarHBondContact CD1-O 3.21Å; Y120-G188 PolarHBondContact N-O 2.84Å; Y120-G188 PolarHBondContact O-N 3.27Å
121	G	98.2	Very high	95.7	Very high	8 Å²	8	44.4 Å²	44.4	8%	0.082	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.4	174.6	176.4	0	0	0	0	0	112.4	N157 V158 Y186	G121-N157 VanDerWaalsContact O-CA 3.3Å; G121-N157 WeakPolarHBondContact O-CA 3.44Å; G121-V158 PolarHBondContact N-O 3.44Å; G121-V158 PolarHBondContact O-N 3.36Å; G121-Y186 CarbonylContact C-O 3.59Å; G121-Y186 WeakPolarHBondContact CA-O 3.16Å
122	Q	98.3	Very high	95.3	Very high	32 Å²	32	51.6 Å²	51.6	15%	0.15	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	144.1	171.2	95.8	-176.7	35.2	0	0	110.2	I155 Q156 N184 T185 Y186	Q122-I155 HydrophobicContact CB-CG2 3.98Å; Q122-I155 HydrophobicContact CG-CG2 4.04Å; Q122-Q156 CarbonylContact C-O 3.58Å; Q122-Q156 WeakPolarHBondContact CA-O 3.19Å; Q122-N184 WeakPolarHBondContact CG-O 3.37Å; Q122-N184 PolarHBondContact NE2-O 3.3Å; Q122-N184 PolarHBondContact NE2-OD1 3.12Å; Q122-T185 WeakPolarHBondContact O-CA 3.31Å; Q122-Y186 HydrophobicContact CB-CE1 4.28Å; Q122-Y186 HydrophobicContact CG-CD1 3.99Å; Q122-Y186 HydrophobicContact CG-CE1 3.61Å; Q122-Y186 PolarHBondContact N-O 2.91Å; Q122-Y186 PolarHBondContact O-N 2.84Å; Q122-Y186 VanDerWaalsContact O-O 3.05Å; Q122-Y186 PolarHBondContact OE1-OH 3.29Å
123	V	98.5	Very high	95.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	119.3	172.4	176.7	0	0	0	0	108.2	P125 F135 V137 L149 I155 Q156 V158 L172 V180 T185	V123-P125 WeakPolarHBondContact O-CD 3.4Å; V123-F135 HydrophobicContact CG1-CZ 4.25Å; V123-V137 HydrophobicContact CG1-CB 4.31Å; V123-V137 HydrophobicContact CG1-CG1 4.42Å; V123-V137 HydrophobicContact CG1-CG2 3.8Å; V123-V137 HydrophobicContact CG2-CG1 4.08Å; V123-L149 HydrophobicContact CB-CD1 3.96Å; V123-L149 HydrophobicContact CG2-CD1 3.72Å; V123-I155 WeakPolarHBondContact O-CA 3.33Å; V123-Q156 PolarHBondContact N-O 2.94Å; V123-Q156 PolarHBondContact O-N 2.88Å; V123-V158 HydrophobicContact CG2-CG1 4.36Å; V123-L172 HydrophobicContact CG2-CD2 4.37Å; V123-V180 HydrophobicContact CG1-CG1 3.78Å; V123-T185 HydrophobicContact CB-CG2 4.48Å; V123-T185 HydrophobicContact CG2-CG2 4.25Å
124	A	98.3	Very high	95.2	Very high	2 Å²	2	51.3 Å²	51.3	2%	0.017	30%	0.295	C	S	.	.			trans	-100.6	109.3	177	0	0	0	0	0	109.8	I155 V180 L181 N184 T185	A124-I155 HydrophobicContact CB-CG1 4.15Å; A124-V180 CarbonylContact O-C 3.57Å; A124-V180 WeakPolarHBondContact O-CA 3.16Å; A124-L181 HydrophobicContact CB-CB 4.23Å; A124-L181 PolarHBondContact O-N 2.84Å; A124-N184 HydrophobicContact CB-CB 3.96Å; A124-N184 WeakPolarHBondContact CB-O 3.29Å; A124-T185 PolarHBondContact N-OG1 3.35Å
125	P	97.8	Very high	95.3	Very high	15 Å²	15	50.4 Å²	50.4	10%	0.097	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-62.2	144.7	175.6	-20.5	32	0	0	0	112	V123 F135 K152 K154	V123-P125 WeakPolarHBondContact O-CD 3.4Å; P125-F135 HydrophobicContact CB-CD2 4.31Å; P125-F135 HydrophobicContact CB-CE2 3.6Å; P125-F135 HydrophobicContact CB-CZ 3.86Å; P125-F135 HydrophobicContact CG-CE1 4.37Å; P125-F135 HydrophobicContact CG-CE2 3.99Å; P125-F135 HydrophobicContact CG-CZ 3.68Å; P125-K152 WeakPolarHBondContact CB-O 3.37Å; P125-K154 WeakPolarHBondContact CD-O 3.26Å; P125-K154 VanDerWaalsContact CG-O 3.27Å; P125-K154 WeakPolarHBondContact CG-O 3.41Å
126	N	96.7	Very high	95.4	Very high	38 Å²	38	52.6 Å²	52.6	20%	0.203	30%	0.3	C	S	.	.			trans	-84.6	109.7	167.1	179.3	8.1	0	0	0	109.1	N128 Y129 Y178 Q179 L181	N126-N128 PolarHBondContact O-N 2.82Å; N126-N128 PolarHBondContact OD1-N 3.25Å; N126-N128 VanDerWaalsContact OD1-N 3.08Å; N126-Y129 WeakPolarHBondContact O-CB 3.36Å; N126-Y129 PolarHBondContact O-N 3.32Å; N126-Y129 VanDerWaalsContact O-N 3.1Å; N126-Y178 WeakPolarHBondContact CB-O 3.43Å; N126-Y178 PolarHBondContact ND2-O 3.06Å; N126-Q179 WeakPolarHBondContact CB-O 3.35Å; N126-Q179 PolarHBondContact N-O 2.86Å; N126-L181 HydrophobicContact CB-CD2 3.96Å; N126-L181 HydrophobicContact CB-CG 4.15Å
127	A	92.1	Very high	95.5	Very high	86 Å²	86	50.2 Å²	50.2	71%	0.711	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.1	-179.6	0	0	0	0	0	113.5	Y129	A127-Y129 VanDerWaalsContact C-N 3.29Å
128	N	92.8	Very high	95.5	Very high	135 Å²	135	52.9 Å²	52.9	72%	0.722	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	3.1	179.8	-61.1	-17.4	0	0	0	112.7	N126 N130	N126-N128 PolarHBondContact O-N 2.82Å; N126-N128 PolarHBondContact OD1-N 3.25Å; N126-N128 VanDerWaalsContact OD1-N 3.08Å; N128-N130 PolarHBondContact O-N 2.79Å
129	Y	91.9	Very high	95.5	Very high	21 Å²	21	50 Å²	50	8%	0.082	28%	0.283	C	S	.	.			trans	-75	111.5	179	-179.7	-107.5	0	0	0	111.1	N126 A127 D131 A133 S176 Q179	N126-Y129 WeakPolarHBondContact O-CB 3.36Å; N126-Y129 PolarHBondContact O-N 3.32Å; N126-Y129 VanDerWaalsContact O-N 3.1Å; A127-Y129 VanDerWaalsContact C-N 3.29Å; Y129-D131 HydrophobicContact CD2-CB 4.38Å; Y129-D131 HydrophobicContact CE1-CB 4.49Å; Y129-D131 HydrophobicContact CE2-CB 3.59Å; Y129-D131 WeakPolarHBondContact CE2-OD2 3.46Å; Y129-A133 WeakPolarHBondContact CE1-O 2.95Å; Y129-A133 WeakPolarHBondContact OH-CB 2.93Å; Y129-A133 PolarHBondContact OH-O 2.97Å; Y129-S176 WeakPolarHBondContact OH-CB 3.4Å; Y129-Q179 HydrophobicContact CD1-CB 3.61Å; Y129-Q179 HydrophobicContact CD2-CB 3.79Å; Y129-Q179 HydrophobicContact CE1-CB 3.59Å; Y129-Q179 HydrophobicContact CE2-CB 3.77Å; Y129-Q179 HydrophobicContact CG-CB 3.7Å
130	N	88.6	Confident	95.5	Very high	142 Å²	142	52 Å²	52	76%	0.759	29%	0.29	S	S	*	.			trans	-125.4	19.2	-176	-66.2	-31.3	0	0	0	112.8	N128	N128-N130 PolarHBondContact O-N 2.79Å
131	D	87.9	Confident	95.5	Very high	95 Å²	95	50.2 Å²	50.2	51%	0.508	28%	0.284	S	S	.	.	S	Bend	trans	-73.1	170.3	179.3	-63.9	-19.5	0	0	0	111.9	Y129 A133	Y129-D131 HydrophobicContact CD2-CB 4.38Å; Y129-D131 HydrophobicContact CE1-CB 4.49Å; Y129-D131 HydrophobicContact CE2-CB 3.59Å; Y129-D131 WeakPolarHBondContact CE2-OD2 3.46Å; D131-A133 VanDerWaalsContact C-N 3.31Å; D131-A133 PolarHBondContact O-N 2.87Å
132	V	91.1	Very high	95.5	Very high	152 Å²	152	52.8 Å²	52.8	92%	0.921	30%	0.296	S	S	*	.	S	Bend	trans	-65.4	-31.4	-177.6	-178.4	0	0	0	0	112.8
133	A	92.4	Very high	95.5	Very high	35 Å²	35	60.3 Å²	60.3	29%	0.289	33%	0.328	S	S	.	.	S	Bend	trans	-73.6	135.1	-176.1	0	0	0	0	0	110.8	Y129 D131	Y129-A133 WeakPolarHBondContact CE1-O 2.95Å; Y129-A133 WeakPolarHBondContact OH-CB 2.93Å; Y129-A133 PolarHBondContact OH-O 2.97Å; D131-A133 VanDerWaalsContact C-N 3.31Å; D131-A133 PolarHBondContact O-N 2.87Å
134	P	94.8	Very high	95.4	Very high	86 Å²	86	65.4 Å²	65.4	56%	0.558	36%	0.356	S	S	*	.			trans	-64.9	148.3	178.4	27.1	-34.3	0	0	0	110.6	E136 N175 Q179	P134-E136 PolarHBondContact O-N 2.97Å; P134-E136 VanDerWaalsContact O-N 3.08Å; P134-N175 PolarHBondContact O-ND2 3.16Å; P134-Q179 PolarHBondContact O-OE1 2.99Å
135	F	96.8	Very high	95.4	Very high	17 Å²	17	70 Å²	70	8%	0.075	38%	0.378	C	S	.	.			trans	-64.2	112.9	172.6	179.8	-87.6	0	0	0	109.6	V123 P125 V137 N151 K152 Q179 V180	V123-F135 HydrophobicContact CG1-CZ 4.25Å; P125-F135 HydrophobicContact CB-CD2 4.31Å; P125-F135 HydrophobicContact CB-CE2 3.6Å; P125-F135 HydrophobicContact CB-CZ 3.86Å; P125-F135 HydrophobicContact CG-CE1 4.37Å; P125-F135 HydrophobicContact CG-CE2 3.99Å; P125-F135 HydrophobicContact CG-CZ 3.68Å; F135-V137 HydrophobicContact CE1-CG2 4.5Å; F135-V137 HydrophobicContact CZ-CG2 4.1Å; F135-N151 WeakPolarHBondContact CE1-O 3.28Å; F135-K152 HydrophobicContact CB-CB 3.71Å; F135-K152 HydrophobicContact CD1-CB 3.99Å; F135-K152 HydrophobicContact CD2-CB 4.01Å; F135-K152 HydrophobicContact CG-CB 3.61Å; F135-Q179 HydrophobicContact CD2-CB 4.07Å; F135-Q179 HydrophobicContact CD2-CG 3.91Å; F135-Q179 HydrophobicContact CE2-CB 4.5Å; F135-Q179 HydrophobicContact CE2-CG 4.02Å; F135-Q179 WeakPolarHBondContact CE2-O 3.27Å; F135-V180 HydrophobicContact CE2-CG1 4.14Å
136	E	97.6	Very high	95.5	Very high	45 Å²	45	71.7 Å²	71.7	21%	0.21	39%	0.386	C	S	.	.			trans	-152.2	125.8	179.7	-172.8	-179.7	-177.4	0	0	111	P134 R138 T148 L149 N175 Q179	P134-E136 PolarHBondContact O-N 2.97Å; P134-E136 VanDerWaalsContact O-N 3.08Å; E136-R138 HydrophobicContact CG-CG 4.08Å; E136-R138 VanDerWaalsContact OE1-CD 3.31Å; E136-R138 WeakPolarHBondContact OE1-CD 3.03Å; E136-R138 IonicContact OE1-NE 3.89Å; E136-T148 HydrophobicContact CG-CG2 3.69Å; E136-T148 WeakPolarHBondContact OE1-CG2 3.32Å; E136-L149 WeakPolarHBondContact CA-O 3.48Å; E136-N175 HydrophobicContact CB-CB 4Å; E136-N175 VanDerWaalsContact O-CB 3.25Å; E136-N175 WeakPolarHBondContact O-CB 3.19Å; E136-N175 PolarHBondContact O-N 3.21Å; E136-Q179 PolarHBondContact O-NE2 2.73Å
137	V	98.4	Very high	95.5	Very high	1 Å²	1	72.3 Å²	72.3	1%	0.006	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.1	173.2	-176.3	0	0	0	0	108.7	V123 F135 T148 L149 L172 I173 F174 V180	V123-V137 HydrophobicContact CG1-CB 4.31Å; V123-V137 HydrophobicContact CG1-CG1 4.42Å; V123-V137 HydrophobicContact CG1-CG2 3.8Å; V123-V137 HydrophobicContact CG2-CG1 4.08Å; F135-V137 HydrophobicContact CE1-CG2 4.5Å; F135-V137 HydrophobicContact CZ-CG2 4.1Å; V137-T148 CarbonylContact O-C 3.49Å; V137-T148 WeakPolarHBondContact O-CA 3.23Å; V137-L149 HydrophobicContact CB-CB 4.3Å; V137-L149 PolarHBondContact N-O 3.08Å; V137-L149 PolarHBondContact O-N 2.95Å; V137-L172 HydrophobicContact CG1-CD1 3.69Å; V137-L172 HydrophobicContact CG1-CD2 4.45Å; V137-L172 HydrophobicContact CG1-CG 3.97Å; V137-I173 WeakPolarHBondContact CA-O 3.49Å; V137-F174 HydrophobicContact CB-CD1 4.31Å; V137-F174 HydrophobicContact CG1-CD1 3.65Å; V137-F174 HydrophobicContact CG1-CE1 3.78Å; V137-F174 HydrophobicContact CG2-CD1 3.77Å; V137-F174 HydrophobicContact CG2-CE1 4.4Å; V137-V180 HydrophobicContact CG2-CG1 3.88Å
138	R	98.5	Very high	95.8	Very high	57 Å²	57	70.6 Å²	70.6	22%	0.215	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.2	-172	-70.3	171.8	-72.5	-167.2	-6.5	110.7	E136 Y140 M145 Q147 T148 I173	E136-R138 HydrophobicContact CG-CG 4.08Å; E136-R138 VanDerWaalsContact OE1-CD 3.31Å; E136-R138 WeakPolarHBondContact OE1-CD 3.03Å; E136-R138 IonicContact OE1-NE 3.89Å; R138-Y140 HydrophobicContact CB-CD2 3.98Å; R138-Y140 HydrophobicContact CB-CE2 3.4Å; R138-Y140 VanDerWaalsContact CB-CE2 3.4Å; R138-Y140 HydrophobicContact CG-CE2 4.31Å; R138-M145 HydrophobicContact CB-CG 4.33Å; R138-M145 HydrophobicContact CG-CG 4.3Å; R138-M145 HydrophobicContact CG-SD 3.95Å; R138-Q147 CarbonylContact C-O 3.58Å; R138-Q147 WeakPolarHBondContact CA-O 3.29Å; R138-T148 HydrophobicContact CG-CG2 4Å; R138-I173 PolarHBondContact N-O 3.24Å; R138-I173 PolarHBondContact O-N 2.91Å
139	L	98.8	Very high	96.1	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	127.3	168.8	-175.6	70.3	0	0	0	108.4	I119 I146 Q147 V158 I170 D171 L172	I119-L139 HydrophobicContact CD1-CD2 4.18Å; I119-L139 HydrophobicContact CG2-CD1 4.49Å; I119-L139 HydrophobicContact CG2-CD2 4.03Å; L139-I146 HydrophobicContact CB-CG1 4.15Å; L139-I146 HydrophobicContact CD2-CD1 3.58Å; L139-I146 HydrophobicContact CD2-CG1 3.89Å; L139-I146 HydrophobicContact CG-CD1 3.79Å; L139-I146 HydrophobicContact CG-CG1 3.8Å; L139-I146 VanDerWaalsContact O-CG1 3.24Å; L139-I146 WeakPolarHBondContact O-CG1 3.39Å; L139-I146 PolarHBondContact O-N 3.43Å; L139-Q147 HydrophobicContact CB-CB 4.03Å; L139-Q147 PolarHBondContact N-O 3.19Å; L139-Q147 PolarHBondContact O-N 2.99Å; L139-V158 HydrophobicContact CB-CG2 4.01Å; L139-V158 HydrophobicContact CD2-CG2 4.11Å; L139-V158 HydrophobicContact CG-CG2 4.44Å; L139-I170 HydrophobicContact CD1-CG2 3.85Å; L139-D171 WeakPolarHBondContact CA-O 3.25Å; L139-L172 HydrophobicContact CB-CD1 4.33Å; L139-L172 HydrophobicContact CD1-CD1 4.25Å
140	Y	98.7	Very high	96.3	Very high	42 Å²	42	68.2 Å²	68.2	17%	0.165	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	144.4	179.1	-76.6	-94.3	0	0	0	111.4	R138 D144 M145 I170 D171 I173	R138-Y140 HydrophobicContact CB-CD2 3.98Å; R138-Y140 HydrophobicContact CB-CE2 3.4Å; R138-Y140 VanDerWaalsContact CB-CE2 3.4Å; R138-Y140 HydrophobicContact CG-CE2 4.31Å; Y140-D144 CarbonylContact C-O 3.59Å; Y140-D144 WeakPolarHBondContact CA-O 3.34Å; Y140-M145 HydrophobicContact CD1-CB 4.06Å; Y140-M145 HydrophobicContact CE1-CB 3.64Å; Y140-M145 HydrophobicContact CE1-CG 4.32Å; Y140-I170 WeakPolarHBondContact O-CA 3.33Å; Y140-D171 PolarHBondContact N-O 3.33Å; Y140-D171 PolarHBondContact O-N 3.43Å; Y140-D171 VanDerWaalsContact O-N 3.12Å; Y140-I173 HydrophobicContact CD2-CB 4.45Å; Y140-I173 HydrophobicContact CD2-CD1 3.79Å; Y140-I173 HydrophobicContact CD2-CG1 4.1Å; Y140-I173 HydrophobicContact CE2-CB 4.35Å; Y140-I173 HydrophobicContact CE2-CD1 3.88Å; Y140-I173 HydrophobicContact CE2-CG1 4.35Å
141	K	98.4	Very high	96.7	Very high	44 Å²	44	64.9 Å²	64.9	19%	0.191	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115	157.2	172.1	-177.1	165.7	161.9	0	107.2	K143 D144 I146 E163 L164 D168 T169 I170	K141-K143 PolarHBondContact O-N 3.21Å; K141-D144 PolarHBondContact N-O 3.25Å; K141-D144 WeakPolarHBondContact O-CB 3.34Å; K141-D144 PolarHBondContact O-N 3.06Å; K141-I146 HydrophobicContact CB-CD1 4.19Å; K141-I146 HydrophobicContact CB-CG2 3.86Å; K141-E163 PolarHBondContact NZ-O 3.12Å; K141-L164 HydrophobicContact CD-CD2 3.86Å; K141-L164 HydrophobicContact CG-CD2 4.42Å; K141-D168 WeakPolarHBondContact CE-OD2 3.36Å; K141-D168 IonicContact NZ-OD2 3.09Å; K141-D168 PolarHBondContact NZ-OD2 3.17Å; K141-D168 VanDerWaalsContact NZ-OD2 3.09Å; K141-T169 CarbonylContact C-O 3.41Å; K141-T169 WeakPolarHBondContact CA-O 3.31Å; K141-I170 HydrophobicContact CB-CD1 3.95Å; K141-I170 HydrophobicContact CG-CD1 4.15Å
142	N	98.1	Very high	97	Very high	62 Å²	62	66.8 Å²	66.8	33%	0.332	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	-109.3	-172	-57.4	-39.9	0	0	0	111.2	D168 T169	N142-D168 PolarHBondContact ND2-OD1 3.31Å; N142-D168 WeakPolarHBondContact OD1-CA 3.24Å; N142-T169 WeakPolarHBondContact CA-OG1 3.47Å; N142-T169 PolarHBondContact N-O 3.28Å; N142-T169 PolarHBondContact OD1-N 3.06Å; N142-T169 PolarHBondContact OD1-OG1 2.9Å
143	K	97.1	Very high	97.1	Very high	191 Å²	191	64.2 Å²	64.2	83%	0.83	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-8.4	175.9	-62.8	179.6	-178	175.8	0	112.4	K141	K141-K143 PolarHBondContact O-N 3.21Å
144	D	97.8	Very high	97.3	Very high	107 Å²	107	69.7 Å²	69.7	57%	0.572	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	123.1	-174.2	-57.4	-42.9	0	0	0	109.7	Y140 K141 I146	Y140-D144 CarbonylContact C-O 3.59Å; Y140-D144 WeakPolarHBondContact CA-O 3.34Å; K141-D144 PolarHBondContact N-O 3.25Å; K141-D144 WeakPolarHBondContact O-CB 3.34Å; K141-D144 PolarHBondContact O-N 3.06Å; D144-I146 PolarHBondContact O-N 3.38Å
145	M	98.1	Very high	97.4	Very high	98 Å²	98	69.9 Å²	69.9	48%	0.483	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	114.1	174.9	-174.5	-170.1	76	0	0	108.8	R138 Y140 T148	R138-M145 HydrophobicContact CB-CG 4.33Å; R138-M145 HydrophobicContact CG-CG 4.3Å; R138-M145 HydrophobicContact CG-SD 3.95Å; Y140-M145 HydrophobicContact CD1-CB 4.06Å; Y140-M145 HydrophobicContact CE1-CB 3.64Å; Y140-M145 HydrophobicContact CE1-CG 4.32Å; M145-T148 WeakPolarHBondContact CE-OG1 3.45Å; M145-T148 PolarHBondContact SD-OG1 3.2Å
146	I	98.1	Very high	97.5	Very high	51 Å²	51	70.8 Å²	70.8	26%	0.262	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-21	-176.9	56.1	169.5	0	0	0	112.9	I119 L139 K141 D144 Y162	I119-I146 HydrophobicContact CD1-CD1 4.34Å; L139-I146 HydrophobicContact CB-CG1 4.15Å; L139-I146 HydrophobicContact CD2-CD1 3.58Å; L139-I146 HydrophobicContact CD2-CG1 3.89Å; L139-I146 HydrophobicContact CG-CD1 3.79Å; L139-I146 HydrophobicContact CG-CG1 3.8Å; L139-I146 VanDerWaalsContact O-CG1 3.24Å; L139-I146 WeakPolarHBondContact O-CG1 3.39Å; L139-I146 PolarHBondContact O-N 3.43Å; K141-I146 HydrophobicContact CB-CD1 4.19Å; K141-I146 HydrophobicContact CB-CG2 3.86Å; D144-I146 PolarHBondContact O-N 3.38Å; I146-Y162 HydrophobicContact CB-CE1 4.22Å; I146-Y162 HydrophobicContact CD1-CD1 4.36Å; I146-Y162 HydrophobicContact CD1-CE1 3.92Å; I146-Y162 HydrophobicContact CD1-CE2 4.17Å
147	Q	98.5	Very high	97.5	Very high	51 Å²	51	74.8 Å²	74.8	24%	0.238	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	145.5	174.1	-167	-179.6	10.1	0	0	111.7	R138 L139 L149 G159	R138-Q147 CarbonylContact C-O 3.58Å; R138-Q147 WeakPolarHBondContact CA-O 3.29Å; L139-Q147 HydrophobicContact CB-CB 4.03Å; L139-Q147 PolarHBondContact N-O 3.19Å; L139-Q147 PolarHBondContact O-N 2.99Å; Q147-L149 HydrophobicContact CG-CD2 4.48Å; Q147-G159 PolarHBondContact OE1-O 3.29Å
148	T	98.4	Very high	97.5	Very high	49 Å²	49	75.1 Å²	75.1	30%	0.301	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	135	173.9	-49.2	0	0	0	0	110.7	E136 V137 R138 M145 T150	E136-T148 HydrophobicContact CG-CG2 3.69Å; E136-T148 WeakPolarHBondContact OE1-CG2 3.32Å; V137-T148 CarbonylContact O-C 3.49Å; V137-T148 WeakPolarHBondContact O-CA 3.23Å; R138-T148 HydrophobicContact CG-CG2 4Å; M145-T148 WeakPolarHBondContact CE-OG1 3.45Å; M145-T148 PolarHBondContact SD-OG1 3.2Å; T148-T150 HydrophobicContact CG2-CG2 3.92Å
149	L	98.3	Very high	97.4	Very high	11 Å²	11	73.2 Å²	73.2	6%	0.058	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119	176.5	-58.1	-178.6	0	0	0	109.4	V123 E136 V137 Q147 Q156 V158	V123-L149 HydrophobicContact CB-CD1 3.96Å; V123-L149 HydrophobicContact CG2-CD1 3.72Å; E136-L149 WeakPolarHBondContact CA-O 3.48Å; V137-L149 HydrophobicContact CB-CB 4.3Å; V137-L149 PolarHBondContact N-O 3.08Å; V137-L149 PolarHBondContact O-N 2.95Å; Q147-L149 HydrophobicContact CG-CD2 4.48Å; L149-Q156 HydrophobicContact CD1-CB 3.97Å; L149-Q156 HydrophobicContact CD2-CB 4.2Å; L149-V158 HydrophobicContact CD1-CB 4.05Å; L149-V158 HydrophobicContact CD1-CG2 4.41Å
150	T	96.9	Very high	97.4	Very high	96 Å²	96	74.4 Å²	74.4	59%	0.589	39%	0.387	S	S	*	.			trans	-119.8	-6.4	-175	57	0	0	0	0	113.5	T148 K152	T148-T150 HydrophobicContact CG2-CG2 3.92Å; T150-K152 PolarHBondContact O-N 2.84Å
151	N	95.4	Very high	97.4	Very high	71 Å²	71	76.2 Å²	76.2	38%	0.38	40%	0.403	S	S	.	.			trans	-81	107.3	-179.6	-169.5	-26.5	0	0	0	112.2	F135 S153 Q156	F135-N151 WeakPolarHBondContact CE1-O 3.28Å; N151-S153 VanDerWaalsContact C-N 3.33Å; N151-S153 PolarHBondContact O-N 2.74Å; N151-S153 WeakPolarHBondContact OD1-CB 3.36Å; N151-S153 PolarHBondContact OD1-N 2.84Å; N151-Q156 HydrophobicContact CB-CG 4.35Å; N151-Q156 PolarHBondContact O-NE2 2.79Å
152	K	94.4	Very high	97.3	Very high	135 Å²	135	76.9 Å²	76.9	59%	0.587	41%	0.405	S	S	*	.	S	Bend	trans	-80.4	-6.2	178.3	69.5	178.5	-177.6	174.5	0	115.5	P125 F135 T150	P125-K152 WeakPolarHBondContact CB-O 3.37Å; F135-K152 HydrophobicContact CB-CB 3.71Å; F135-K152 HydrophobicContact CD1-CB 3.99Å; F135-K152 HydrophobicContact CD2-CB 4.01Å; F135-K152 HydrophobicContact CG-CB 3.61Å; T150-K152 PolarHBondContact O-N 2.84Å
153	S	93.5	Very high	97.3	Very high	98 Å²	98	79.1 Å²	79.1	69%	0.685	41%	0.413	S	S	*	.	S	Bend	trans	-94.7	-19.5	-169.5	-59	0	0	0	0	114.1	N151	N151-S153 VanDerWaalsContact C-N 3.33Å; N151-S153 PolarHBondContact O-N 2.74Å; N151-S153 WeakPolarHBondContact OD1-CB 3.36Å; N151-S153 PolarHBondContact OD1-N 2.84Å
154	K	95.8	Very high	97.3	Very high	150 Å²	150	70 Å²	70	65%	0.652	37%	0.374	S	S	*	.	S	Bend	trans	-140.6	153.8	-174.1	-60.9	-176	-177.9	-179.1	0	110.7	P125 Q156	P125-K154 WeakPolarHBondContact CD-O 3.26Å; P125-K154 VanDerWaalsContact CG-O 3.27Å; P125-K154 WeakPolarHBondContact CG-O 3.41Å; K154-Q156 PolarHBondContact O-N 3.06Å
155	I	98.1	Very high	97.2	Very high	91 Å²	91	68 Å²	68	47%	0.467	36%	0.361	S	S	.	.			trans	-60.7	136	168.1	-60.9	175.7	0	0	0	108.3	Q122 V123 A124	Q122-I155 HydrophobicContact CB-CG2 3.98Å; Q122-I155 HydrophobicContact CG-CG2 4.04Å; V123-I155 WeakPolarHBondContact O-CA 3.33Å; A124-I155 HydrophobicContact CB-CG1 4.15Å
156	Q	98.2	Very high	97.2	Very high	36 Å²	36	67.5 Å²	67.5	17%	0.168	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.5	-178.9	-70.1	174.6	98.5	0	0	110.3	Q122 V123 L149 N151 K154	Q122-Q156 CarbonylContact C-O 3.58Å; Q122-Q156 WeakPolarHBondContact CA-O 3.19Å; V123-Q156 PolarHBondContact N-O 2.94Å; V123-Q156 PolarHBondContact O-N 2.88Å; L149-Q156 HydrophobicContact CD1-CB 3.97Å; L149-Q156 HydrophobicContact CD2-CB 4.2Å; N151-Q156 HydrophobicContact CB-CG 4.35Å; N151-Q156 PolarHBondContact O-NE2 2.79Å; K154-Q156 PolarHBondContact O-N 3.06Å
157	N	98.4	Very high	97.2	Very high	128 Å²	128	66.8 Å²	66.8	68%	0.684	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	144.4	172	-65.2	-14.8	0	0	0	110.1	G121	G121-N157 VanDerWaalsContact O-CA 3.3Å; G121-N157 WeakPolarHBondContact O-CA 3.44Å
158	V	97.8	Very high	97.1	Very high	8 Å²	8	65.1 Å²	65.1	5%	0.048	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	146.8	175	66	0	0	0	0	109.5	Y120 G121 V123 L139 L149 L172 W187	Y120-V158 CarbonylContact C-O 3.55Å; Y120-V158 VanDerWaalsContact C-O 3.27Å; Y120-V158 WeakPolarHBondContact CA-O 3.5Å; G121-V158 PolarHBondContact N-O 3.44Å; G121-V158 PolarHBondContact O-N 3.36Å; V123-V158 HydrophobicContact CG2-CG1 4.36Å; L139-V158 HydrophobicContact CB-CG2 4.01Å; L139-V158 HydrophobicContact CD2-CG2 4.11Å; L139-V158 HydrophobicContact CG-CG2 4.44Å; L149-V158 HydrophobicContact CD1-CB 4.05Å; L149-V158 HydrophobicContact CD1-CG2 4.41Å; V158-L172 HydrophobicContact CG2-CD1 3.95Å; V158-W187 HydrophobicContact CG1-CB 4.1Å
159	G	97.6	Very high	97.2	Very high	18 Å²	18	64.3 Å²	64.3	19%	0.186	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	115.2	-159.6	177.1	0	0	0	0	0	114.1	I119 Q147	I119-G159 CarbonylContact O-C 3.55Å; I119-G159 VanDerWaalsContact O-CA 3.28Å; I119-G159 WeakPolarHBondContact O-CA 3.49Å; Q147-G159 PolarHBondContact OE1-O 3.29Å
160	G	98	Very high	97.2	Very high	25 Å²	25	63.8 Å²	63.8	26%	0.258	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	149.9	-179.8	-166.1	0	0	0	0	0	110.7	I119 Y162	I119-G160 PolarHBondContact N-O 2.77Å; I119-G160 PolarHBondContact O-N 3.47Å; G160-Y162 VanDerWaalsContact C-CE2 3.42Å; G160-Y162 VanDerWaalsContact O-CD2 3.26Å; G160-Y162 WeakPolarHBondContact O-CD2 3.3Å; G160-Y162 WeakPolarHBondContact O-CE2 3.46Å
161	T	98.1	Very high	97.3	Very high	81 Å²	81	60.6 Å²	60.6	50%	0.497	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	128.7	178.3	-59.8	0	0	0	0	110.2	L116 Y117 L192	L116-T161 HydrophobicContact CD1-CG2 3.66Å; L116-T161 HydrophobicContact CD2-CG2 3.92Å; L116-T161 HydrophobicContact CG-CG2 3.71Å; Y117-T161 CarbonylContact O-C 3.5Å; Y117-T161 VanDerWaalsContact O-CA 3.3Å; Y117-T161 WeakPolarHBondContact O-CA 3.25Å; T161-L192 HydrophobicContact CG2-CD1 4.18Å
162	Y	97.6	Very high	97.4	Very high	57 Å²	57	57.3 Å²	57.3	22%	0.224	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	143.8	-174.4	-60.4	-86.3	0	0	0	111.5	Y117 I119 I146 G160	Y117-Y162 PolarHBondContact N-O 2.86Å; Y117-Y162 PolarHBondContact O-N 2.8Å; I119-Y162 HydrophobicContact CB-CD2 4.47Å; I119-Y162 HydrophobicContact CB-CE2 4.46Å; I119-Y162 HydrophobicContact CD1-CD2 3.69Å; I119-Y162 HydrophobicContact CD1-CE2 3.99Å; I119-Y162 HydrophobicContact CG1-CD2 4.12Å; I146-Y162 HydrophobicContact CB-CE1 4.22Å; I146-Y162 HydrophobicContact CD1-CD1 4.36Å; I146-Y162 HydrophobicContact CD1-CE1 3.92Å; I146-Y162 HydrophobicContact CD1-CE2 4.17Å; G160-Y162 VanDerWaalsContact C-CE2 3.42Å; G160-Y162 VanDerWaalsContact O-CD2 3.26Å; G160-Y162 WeakPolarHBondContact O-CD2 3.3Å; G160-Y162 WeakPolarHBondContact O-CE2 3.46Å
163	E	97	Very high	97.6	Very high	109 Å²	109	53.8 Å²	53.8	51%	0.509	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	118.7	165.3	-63.4	-178.4	175.8	0	0	109	L116 K141 I198	L116-E163 HydrophobicContact CD1-CG 3.72Å; K141-E163 PolarHBondContact NZ-O 3.12Å; E163-I198 HydrophobicContact CB-CD1 4.42Å; E163-I198 HydrophobicContact CG-CD1 3.89Å
164	L	97.2	Very high	97.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	144.2	-176.8	-53.6	180	0	0	0	110.2	I111 N114 G115 Y117 K141 D168 I170 I189	I111-L164 HydrophobicContact CD1-CB 4.43Å; I111-L164 HydrophobicContact CD1-CD1 3.61Å; I111-L164 HydrophobicContact CG1-CB 4.03Å; I111-L164 HydrophobicContact CG1-CD1 3.89Å; I111-L164 HydrophobicContact CG2-CB 4.25Å; N114-L164 WeakPolarHBondContact CA-O 3.37Å; G115-L164 PolarHBondContact N-O 3.49Å; G115-L164 PolarHBondContact O-N 2.9Å; Y117-L164 HydrophobicContact CD2-CB 3.69Å; Y117-L164 HydrophobicContact CD2-CD1 3.85Å; Y117-L164 HydrophobicContact CD2-CG 3.94Å; Y117-L164 HydrophobicContact CE2-CB 4.02Å; Y117-L164 HydrophobicContact CG-CD1 3.85Å; Y117-L164 HydrophobicContact CG-CG 4.37Å; K141-L164 HydrophobicContact CD-CD2 3.86Å; K141-L164 HydrophobicContact CG-CD2 4.42Å; L164-D168 WeakPolarHBondContact CA-OD2 3.43Å; L164-I170 HydrophobicContact CD1-CD1 4.03Å; L164-I170 HydrophobicContact CD1-CG1 4.08Å; L164-I170 HydrophobicContact CD2-CD1 3.95Å; L164-I189 HydrophobicContact CD1-CD1 3.75Å
165	H	96.9	Very high	97.8	Very high	65 Å²	65	45.3 Å²	45.3	30%	0.301	26%	0.255	S	S	.	.			trans	-113.6	159.9	-177.9	-59	80.4	0	0	0	110.8	I111 N114 G167 D168	I111-H165 WeakPolarHBondContact CB-O 3.33Å; I111-H165 WeakPolarHBondContact CG2-O 3.39Å; N114-H165 WeakPolarHBondContact OD1-CA 3.47Å; N114-H165 WeakPolarHBondContact OD1-CB 3.25Å; H165-G167 PolarHBondContact O-N 3.43Å; H165-D168 PolarHBondContact N-OD2 3.39Å; H165-D168 VanDerWaalsContact O-CB 3.23Å; H165-D168 WeakPolarHBondContact O-CB 3.15Å; H165-D168 PolarHBondContact O-N 2.84Å
166	V	96.9	Very high	97.7	Very high	88 Å²	88	42 Å²	42	53%	0.533	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	131.4	173.7	-179	0	0	0	0	110.1	I111 L112 N114 D168	I111-V166 WeakPolarHBondContact O-CA 3.42Å; L112-V166 WeakPolarHBondContact O-CG2 3.4Å; N114-V166 WeakPolarHBondContact OD1-CG2 2.97Å; N114-V166 PolarHBondContact OD1-N 3.25Å; V166-D168 VanDerWaalsContact C-N 3.32Å
167	G	97.3	Very high	97.5	Very high	35 Å²	35	44.9 Å²	44.9	36%	0.361	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	87	-8	-177.3	0	0	0	0	0	114.5	I111 H165 T169	I111-G167 PolarHBondContact O-N 3.39Å; H165-G167 PolarHBondContact O-N 3.43Å; G167-T169 PolarHBondContact O-N 2.98Å
168	D	98.4	Very high	97.3	Very high	17 Å²	17	47 Å²	47	9%	0.091	25%	0.254	C	S	.	.			trans	-61.4	138	169.3	-79.6	-24.1	0	0	0	109.8	E110 I111 K141 N142 L164 H165 V166	E110-D168 CarbonylContact C-O 3.55Å; E110-D168 WeakPolarHBondContact CA-O 3.39Å; I111-D168 HydrophobicContact CB-CB 4.22Å; I111-D168 HydrophobicContact CG1-CB 3.99Å; I111-D168 WeakPolarHBondContact CG1-O 3.18Å; I111-D168 PolarHBondContact N-O 3.24Å; K141-D168 WeakPolarHBondContact CE-OD2 3.36Å; K141-D168 IonicContact NZ-OD2 3.09Å; K141-D168 PolarHBondContact NZ-OD2 3.17Å; K141-D168 VanDerWaalsContact NZ-OD2 3.09Å; N142-D168 PolarHBondContact ND2-OD1 3.31Å; N142-D168 WeakPolarHBondContact OD1-CA 3.24Å; L164-D168 WeakPolarHBondContact CA-OD2 3.43Å; H165-D168 PolarHBondContact N-OD2 3.39Å; H165-D168 VanDerWaalsContact O-CB 3.23Å; H165-D168 WeakPolarHBondContact O-CB 3.15Å; H165-D168 PolarHBondContact O-N 2.84Å; V166-D168 VanDerWaalsContact C-N 3.32Å
169	T	98.5	Very high	97.2	Very high	31 Å²	31	46.7 Å²	46.7	19%	0.19	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.5	174	54.1	0	0	0	0	110.6	L109 E110 K141 N142 G167	L109-T169 CarbonylContact O-C 3.42Å; L109-T169 VanDerWaalsContact O-CA 3.29Å; L109-T169 WeakPolarHBondContact O-CA 3.42Å; E110-T169 HydrophobicContact CB-CG2 4.34Å; K141-T169 CarbonylContact C-O 3.41Å; K141-T169 WeakPolarHBondContact CA-O 3.31Å; N142-T169 WeakPolarHBondContact CA-OG1 3.47Å; N142-T169 PolarHBondContact N-O 3.28Å; N142-T169 PolarHBondContact OD1-N 3.06Å; N142-T169 PolarHBondContact OD1-OG1 2.9Å; G167-T169 PolarHBondContact O-N 2.98Å
170	I	98.8	Very high	97.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.9	175.9	-53.5	-61.9	0	0	0	108.6	K108 L109 I111 I119 L139 Y140 K141 L164 W187	K108-I170 WeakPolarHBondContact CA-O 3.33Å; L109-I170 HydrophobicContact CD1-CB 4.07Å; L109-I170 HydrophobicContact CD1-CG1 4.12Å; L109-I170 HydrophobicContact CG-CB 4.16Å; L109-I170 PolarHBondContact N-O 2.87Å; L109-I170 PolarHBondContact O-N 3.36Å; I111-I170 HydrophobicContact CD1-CG1 4.47Å; I119-I170 HydrophobicContact CD1-CD1 4.23Å; I119-I170 HydrophobicContact CD1-CG1 4.4Å; I119-I170 HydrophobicContact CD1-CG2 3.89Å; L139-I170 HydrophobicContact CD1-CG2 3.85Å; Y140-I170 WeakPolarHBondContact O-CA 3.33Å; K141-I170 HydrophobicContact CB-CD1 3.95Å; K141-I170 HydrophobicContact CG-CD1 4.15Å; L164-I170 HydrophobicContact CD1-CD1 4.03Å; L164-I170 HydrophobicContact CD1-CG1 4.08Å; L164-I170 HydrophobicContact CD2-CD1 3.95Å; I170-W187 HydrophobicContact CB-CH2 3.76Å; I170-W187 HydrophobicContact CB-CZ3 4.36Å; I170-W187 HydrophobicContact CG2-CH2 3.32Å; I170-W187 HydrophobicContact CG2-CZ2 4.18Å; I170-W187 HydrophobicContact CG2-CZ3 3.61Å
171	D	98.5	Very high	97.2	Very high	29 Å²	29	48.2 Å²	48.2	16%	0.155	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	135.2	-172.6	-158.6	-9.9	0	0	0	111.4	K108 L139 Y140 I173	K108-D171 HydrophobicContact CB-CB 4.39Å; K108-D171 HydrophobicContact CD-CB 4.37Å; K108-D171 WeakPolarHBondContact CD-OD2 3.49Å; K108-D171 HydrophobicContact CG-CB 4.02Å; K108-D171 IonicContact NZ-OD2 2.6Å; L139-D171 WeakPolarHBondContact CA-O 3.25Å; Y140-D171 PolarHBondContact N-O 3.33Å; Y140-D171 PolarHBondContact O-N 3.43Å; Y140-D171 VanDerWaalsContact O-N 3.12Å; D171-I173 HydrophobicContact CB-CG1 4.43Å
172	L	98.6	Very high	97.2	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.016	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	106	173.5	-171.9	72.1	0	0	0	109.4	W107 V123 V137 L139 V158 F174 W187	W107-L172 HydrophobicContact CB-CB 4.47Å; W107-L172 HydrophobicContact CE3-CB 4.41Å; W107-L172 HydrophobicContact CE3-CD2 3.85Å; W107-L172 HydrophobicContact CZ3-CD2 3.99Å; W107-L172 PolarHBondContact O-N 2.96Å; V123-L172 HydrophobicContact CG2-CD2 4.37Å; V137-L172 HydrophobicContact CG1-CD1 3.69Å; V137-L172 HydrophobicContact CG1-CD2 4.45Å; V137-L172 HydrophobicContact CG1-CG 3.97Å; L139-L172 HydrophobicContact CB-CD1 4.33Å; L139-L172 HydrophobicContact CD1-CD1 4.25Å; V158-L172 HydrophobicContact CG2-CD1 3.95Å; L172-F174 HydrophobicContact CD2-CE1 3.93Å; L172-F174 HydrophobicContact CD2-CZ 3.99Å; L172-F174 HydrophobicContact CG-CE1 4.16Å; L172-F174 HydrophobicContact CG-CZ 4.35Å; L172-W187 HydrophobicContact CD2-CB 4.46Å; L172-W187 HydrophobicContact CD2-CG 4.25Å
173	I	98.1	Very high	97.1	Very high	61 Å²	61	49.7 Å²	49.7	31%	0.313	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130.4	-173.8	-57.3	-176.6	0	0	0	110.2	V137 R138 Y140 D171	V137-I173 WeakPolarHBondContact CA-O 3.49Å; R138-I173 PolarHBondContact N-O 3.24Å; R138-I173 PolarHBondContact O-N 2.91Å; Y140-I173 HydrophobicContact CD2-CB 4.45Å; Y140-I173 HydrophobicContact CD2-CD1 3.79Å; Y140-I173 HydrophobicContact CD2-CG1 4.1Å; Y140-I173 HydrophobicContact CE2-CB 4.35Å; Y140-I173 HydrophobicContact CE2-CD1 3.88Å; Y140-I173 HydrophobicContact CE2-CG1 4.35Å; D171-I173 HydrophobicContact CB-CG1 4.43Å
174	F	97.8	Very high	97.2	Very high	15 Å²	15	47.7 Å²	47.7	7%	0.066	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	134.3	171.9	-47.4	-63	0	0	0	109.7	W107 V137 L172 S176 V180 T185	W107-F174 AromaticContact CD2-CE2 3.77Å; W107-F174 HydrophobicContact CD2-CE2 3.77Å; W107-F174 AromaticContact CD2-CZ 3.79Å; W107-F174 HydrophobicContact CD2-CZ 3.79Å; W107-F174 AromaticContact CE2-CE2 3.59Å; W107-F174 AromaticContact CE2-CZ 3.81Å; W107-F174 HydrophobicContact CE3-CE2 4.29Å; W107-F174 AromaticContact CE3-CZ 3.83Å; W107-F174 HydrophobicContact CE3-CZ 3.83Å; W107-F174 HydrophobicContact CG-CE2 4.07Å; W107-F174 HydrophobicContact CG-CZ 4.46Å; W107-F174 HydrophobicContact CH2-CZ 4Å; W107-F174 HydrophobicContact CZ2-CE2 4.02Å; W107-F174 AromaticContact CZ2-CZ 3.93Å; W107-F174 HydrophobicContact CZ2-CZ 3.93Å; W107-F174 AromaticContact CZ3-CZ 3.94Å; W107-F174 HydrophobicContact CZ3-CZ 3.94Å; W107-F174 AromaticContact NE1-CE2 3.77Å; V137-F174 HydrophobicContact CB-CD1 4.31Å; V137-F174 HydrophobicContact CG1-CD1 3.65Å; V137-F174 HydrophobicContact CG1-CE1 3.78Å; V137-F174 HydrophobicContact CG2-CD1 3.77Å; V137-F174 HydrophobicContact CG2-CE1 4.4Å; L172-F174 HydrophobicContact CD2-CE1 3.93Å; L172-F174 HydrophobicContact CD2-CZ 3.99Å; L172-F174 HydrophobicContact CG-CE1 4.16Å; L172-F174 HydrophobicContact CG-CZ 4.35Å; F174-S176 WeakPolarHBondContact CB-O 3.21Å; F174-S176 PolarHBondContact O-N 2.78Å; F174-V180 HydrophobicContact CD1-CG1 3.92Å; F174-V180 HydrophobicContact CD1-CG2 3.86Å; F174-V180 HydrophobicContact CD2-CG2 4.37Å; F174-V180 HydrophobicContact CE1-CG1 4.2Å; F174-V180 HydrophobicContact CE1-CG2 3.94Å; F174-V180 HydrophobicContact CE2-CG2 4.43Å; F174-V180 HydrophobicContact CG-CG2 4.09Å; F174-V180 HydrophobicContact CZ-CG2 4.23Å; F174-T185 HydrophobicContact CE1-CG2 4.21Å; F174-T185 HydrophobicContact CZ-CG2 4.21Å
175	N	96.7	Very high	97.2	Very high	54 Å²	54	47.7 Å²	47.7	29%	0.289	25%	0.248	S	C	.	.	S	Bend	trans	-61.3	-32.1	171	-160.4	36.4	0	0	0	112.9	P134 E136	P134-N175 PolarHBondContact O-ND2 3.16Å; E136-N175 HydrophobicContact CB-CB 4Å; E136-N175 VanDerWaalsContact O-CB 3.25Å; E136-N175 WeakPolarHBondContact O-CB 3.19Å; E136-N175 PolarHBondContact O-N 3.21Å
176	S	95.9	Very high	97.3	Very high	23 Å²	23	47.3 Å²	47.3	16%	0.161	24%	0.244	C	C	.	.	S	Bend	trans	-143	141.3	167.2	172.7	0	0	0	0	110.6	Y129 F174 Y178 Q179	Y129-S176 WeakPolarHBondContact OH-CB 3.4Å; F174-S176 WeakPolarHBondContact CB-O 3.21Å; F174-S176 PolarHBondContact O-N 2.78Å; S176-Y178 PolarHBondContact O-N 2.84Å; S176-Q179 WeakPolarHBondContact O-CG 3.3Å; S176-Q179 PolarHBondContact O-N 3.01Å
177	E	92.9	Very high	97.4	Very high	96 Å²	96	43.1 Å²	43.1	45%	0.449	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-27.6	-178.4	-66.7	-61.1	144.1	0	0	113.6	K182	E177-K182 WeakPolarHBondContact OE2-CE 3.4Å; E177-K182 IonicContact OE2-NZ 3.87Å; E177-K182 PolarHBondContact OE2-NZ 2.89Å
178	Y	94.3	Very high	97.4	Very high	173 Å²	173	41.4 Å²	41.4	68%	0.678	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-5.7	-175.4	-56	-69.7	0	0	0	113.7	N126 S176 V180	N126-Y178 WeakPolarHBondContact CB-O 3.43Å; N126-Y178 PolarHBondContact ND2-O 3.06Å; S176-Y178 PolarHBondContact O-N 2.84Å; Y178-V180 PolarHBondContact O-N 3.05Å
179	Q	96.6	Very high	97.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-74.4	-13.5	-179.3	86.1	-170.2	-23.9	0	0	112.9	N126 Y129 P134 F135 E136 S176	N126-Q179 WeakPolarHBondContact CB-O 3.35Å; N126-Q179 PolarHBondContact N-O 2.86Å; Y129-Q179 HydrophobicContact CD1-CB 3.61Å; Y129-Q179 HydrophobicContact CD2-CB 3.79Å; Y129-Q179 HydrophobicContact CE1-CB 3.59Å; Y129-Q179 HydrophobicContact CE2-CB 3.77Å; Y129-Q179 HydrophobicContact CG-CB 3.7Å; P134-Q179 PolarHBondContact O-OE1 2.99Å; F135-Q179 HydrophobicContact CD2-CB 4.07Å; F135-Q179 HydrophobicContact CD2-CG 3.91Å; F135-Q179 HydrophobicContact CE2-CB 4.5Å; F135-Q179 HydrophobicContact CE2-CG 4.02Å; F135-Q179 WeakPolarHBondContact CE2-O 3.27Å; E136-Q179 PolarHBondContact O-NE2 2.73Å; S176-Q179 WeakPolarHBondContact O-CG 3.3Å; S176-Q179 PolarHBondContact O-N 3.01Å
180	V	97.6	Very high	97.3	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.042	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-121.9	147.1	-179.7	-62.8	0	0	0	0	111.5	V123 A124 F135 V137 F174 Y178 K182	V123-V180 HydrophobicContact CG1-CG1 3.78Å; A124-V180 CarbonylContact O-C 3.57Å; A124-V180 WeakPolarHBondContact O-CA 3.16Å; F135-V180 HydrophobicContact CE2-CG1 4.14Å; V137-V180 HydrophobicContact CG2-CG1 3.88Å; F174-V180 HydrophobicContact CD1-CG1 3.92Å; F174-V180 HydrophobicContact CD1-CG2 3.86Å; F174-V180 HydrophobicContact CD2-CG2 4.37Å; F174-V180 HydrophobicContact CE1-CG1 4.2Å; F174-V180 HydrophobicContact CE1-CG2 3.94Å; F174-V180 HydrophobicContact CE2-CG2 4.43Å; F174-V180 HydrophobicContact CG-CG2 4.09Å; F174-V180 HydrophobicContact CZ-CG2 4.23Å; Y178-V180 PolarHBondContact O-N 3.05Å; V180-K182 HydrophobicContact CG2-CG 4.13Å; V180-K182 PolarHBondContact O-N 2.92Å
181	L	97.8	Very high	97.1	Very high	68 Å²	68	42.4 Å²	42.4	36%	0.356	21%	0.205	S	C	.	.			trans	-82.2	94.3	169.8	-61.6	175.9	0	0	0	108.8	A124 N126 N183 N184 T185	A124-L181 HydrophobicContact CB-CB 4.23Å; A124-L181 PolarHBondContact O-N 2.84Å; N126-L181 HydrophobicContact CB-CD2 3.96Å; N126-L181 HydrophobicContact CB-CG 4.15Å; L181-N183 PolarHBondContact O-N 2.84Å; L181-N184 CarbonylContact O-C 3.43Å; L181-N184 PolarHBondContact O-N 2.97Å; L181-T185 WeakPolarHBondContact O-CB 3.43Å; L181-T185 PolarHBondContact O-N 3.25Å; L181-T185 PolarHBondContact O-OG1 2.83Å
182	K	97.3	Very high	96.9	Very high	59 Å²	59	45.3 Å²	45.3	26%	0.257	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-62.9	-22.6	-176.2	-65.8	-173.9	-179.6	177.3	0	114.4	L87 W107 E177 V180 N184	L87-K182 HydrophobicContact CB-CB 4.33Å; L87-K182 HydrophobicContact CD1-CB 3.76Å; L87-K182 HydrophobicContact CD1-CD 3.67Å; L87-K182 HydrophobicContact CD1-CG 4.36Å; L87-K182 HydrophobicContact CG-CB 4.1Å; L87-K182 PolarHBondContact N-O 2.6Å; W107-K182 HydrophobicContact CZ2-CG 4.49Å; E177-K182 WeakPolarHBondContact OE2-CE 3.4Å; E177-K182 IonicContact OE2-NZ 3.87Å; E177-K182 PolarHBondContact OE2-NZ 2.89Å; V180-K182 HydrophobicContact CG2-CG 4.13Å; V180-K182 PolarHBondContact O-N 2.92Å; K182-N184 PolarHBondContact O-N 2.88Å
183	N	97.4	Very high	96.6	Very high	111 Å²	111	47.2 Å²	47.2	59%	0.594	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-76.6	-5.6	173.5	67.5	-17.3	0	0	0	113.6	P86 L87 L181	P86-N183 VanDerWaalsContact CB-C 3.45Å; P86-N183 VanDerWaalsContact CB-O 3.24Å; P86-N183 WeakPolarHBondContact CB-O 3.38Å; L87-N183 WeakPolarHBondContact O-CA 3.39Å; L181-N183 PolarHBondContact O-N 2.84Å
184	N	97.6	Very high	96.2	Very high	67 Å²	67	48.7 Å²	48.7	36%	0.358	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-135.5	16.5	176.4	-164.5	30.6	0	0	0	112.1	Q122 A124 L181 K182	Q122-N184 WeakPolarHBondContact CG-O 3.37Å; Q122-N184 PolarHBondContact NE2-O 3.3Å; Q122-N184 PolarHBondContact NE2-OD1 3.12Å; A124-N184 HydrophobicContact CB-CB 3.96Å; A124-N184 WeakPolarHBondContact CB-O 3.29Å; L181-N184 CarbonylContact O-C 3.43Å; L181-N184 PolarHBondContact O-N 2.97Å; K182-N184 PolarHBondContact O-N 2.88Å
185	T	98.5	Very high	95.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.252	C	S	.	.			trans	-117.7	132.6	177.6	-63.3	0	0	0	0	107.8	P86 W107 Q122 V123 A124 F174 L181	P86-T185 VanDerWaalsContact CA-O 3.29Å; P86-T185 WeakPolarHBondContact CA-O 3.42Å; W107-T185 HydrophobicContact CH2-CG2 3.77Å; W107-T185 WeakPolarHBondContact CH2-O 3.3Å; W107-T185 HydrophobicContact CZ3-CG2 3.99Å; Q122-T185 WeakPolarHBondContact O-CA 3.31Å; V123-T185 HydrophobicContact CB-CG2 4.48Å; V123-T185 HydrophobicContact CG2-CG2 4.25Å; A124-T185 PolarHBondContact N-OG1 3.35Å; F174-T185 HydrophobicContact CE1-CG2 4.21Å; F174-T185 HydrophobicContact CZ-CG2 4.21Å; L181-T185 WeakPolarHBondContact O-CB 3.43Å; L181-T185 PolarHBondContact O-N 3.25Å; L181-T185 PolarHBondContact O-OG1 2.83Å
186	Y	98.6	Very high	95	Very high	56 Å²	56	55.5 Å²	55.5	22%	0.22	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	159.6	179.1	65.2	-93.4	0	0	0	109.9	K83 F84 Y120 G121 Q122	K83-Y186 HydrophobicContact CD-CD2 4.44Å; K83-Y186 VanDerWaalsContact CE-CD2 3.41Å; K83-Y186 HydrophobicContact CG-CD2 4.5Å; F84-Y186 VanDerWaalsContact O-CA 3.3Å; F84-Y186 WeakPolarHBondContact O-CA 3.46Å; F84-Y186 WeakPolarHBondContact O-CB 3.08Å; Y120-Y186 HydrophobicContact CE2-CE2 4.48Å; G121-Y186 CarbonylContact C-O 3.59Å; G121-Y186 WeakPolarHBondContact CA-O 3.16Å; Q122-Y186 HydrophobicContact CB-CE1 4.28Å; Q122-Y186 HydrophobicContact CG-CD1 3.99Å; Q122-Y186 HydrophobicContact CG-CE1 3.61Å; Q122-Y186 PolarHBondContact N-O 2.91Å; Q122-Y186 PolarHBondContact O-N 2.84Å; Q122-Y186 VanDerWaalsContact O-O 3.05Å; Q122-Y186 PolarHBondContact OE1-OH 3.29Å
187	W	98.6	Very high	94.5	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	164.3	165.4	76.4	-83.1	0	0	0	110	K83 F84 W91 W107 L109 I119 Y120 V158 I170 L172 I189	K83-W187 CarbonylContact C-O 3.57Å; K83-W187 WeakPolarHBondContact CA-O 3.15Å; F84-W187 PolarHBondContact N-O 3.36Å; F84-W187 PolarHBondContact O-N 2.84Å; F84-W187 VanDerWaalsContact O-N 3.16Å; W91-W187 HydrophobicContact CH2-CH2 4.08Å; W91-W187 AromaticContact CH2-CZ2 3.67Å; W91-W187 HydrophobicContact CH2-CZ2 3.67Å; W91-W187 HydrophobicContact CZ2-CZ2 4.17Å; W107-W187 AromaticContact CE3-CD1 3.53Å; W107-W187 AromaticContact CE3-NE1 3.81Å; W107-W187 AromaticContact CZ3-CD1 3.9Å; W107-W187 VanDerWaalsContact O-CZ2 3.25Å; W107-W187 WeakPolarHBondContact O-CZ2 3.27Å; W107-W187 PolarHBondContact O-NE1 1.99Å; L109-W187 HydrophobicContact CD2-CH2 3.31Å; L109-W187 HydrophobicContact CD2-CZ2 4.15Å; L109-W187 HydrophobicContact CD2-CZ3 3.77Å; L109-W187 HydrophobicContact CG-CH2 3.68Å; L109-W187 HydrophobicContact CG-CZ2 4.38Å; I119-W187 HydrophobicContact CG2-CE3 3.84Å; I119-W187 HydrophobicContact CG2-CZ3 4.11Å; Y120-W187 CarbonylContact O-C 3.58Å; Y120-W187 WeakPolarHBondContact O-CA 3.17Å; Y120-W187 WeakPolarHBondContact O-CB 3.2Å; V158-W187 HydrophobicContact CG1-CB 4.1Å; I170-W187 HydrophobicContact CB-CH2 3.76Å; I170-W187 HydrophobicContact CB-CZ3 4.36Å; I170-W187 HydrophobicContact CG2-CH2 3.32Å; I170-W187 HydrophobicContact CG2-CZ2 4.18Å; I170-W187 HydrophobicContact CG2-CZ3 3.61Å; L172-W187 HydrophobicContact CD2-CB 4.46Å; L172-W187 HydrophobicContact CD2-CG 4.25Å; W187-I189 HydrophobicContact CZ3-CB 4.38Å
188	G	98	Very high	93.7	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	177.9	178.8	0	0	0	0	0	111.5	A82 I119 Y120	A82-G188 CarbonylContact O-C 3.6Å; A82-G188 WeakPolarHBondContact O-CA 3.45Å; I119-G188 WeakPolarHBondContact CA-O 3.41Å; Y120-G188 WeakPolarHBondContact CD1-O 3.21Å; Y120-G188 PolarHBondContact N-O 2.84Å; Y120-G188 PolarHBondContact O-N 3.27Å
189	I	97.9	Very high	92.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	146.6	-177	-160.8	175.6	0	0	0	109.5	M81 A82 V101 L109 I111 Y117 L118 I119 L164 W187	M81-I189 VanDerWaalsContact CA-O 3.25Å; M81-I189 WeakPolarHBondContact CA-O 3.37Å; A82-I189 HydrophobicContact CB-CG2 4.35Å; A82-I189 PolarHBondContact N-O 3.31Å; A82-I189 PolarHBondContact O-N 3.09Å; V101-I189 HydrophobicContact CG1-CG2 4.14Å; L109-I189 HydrophobicContact CD2-CB 4.26Å; L109-I189 HydrophobicContact CD2-CG2 3.55Å; I111-I189 HydrophobicContact CD1-CD1 3.85Å; Y117-I189 HydrophobicContact CD1-CD1 3.57Å; Y117-I189 HydrophobicContact CD1-CG1 3.76Å; Y117-I189 HydrophobicContact CE1-CD1 4.32Å; Y117-I189 HydrophobicContact CG-CD1 3.92Å; Y117-I189 HydrophobicContact CG-CG1 4.29Å; L118-I189 CarbonylContact O-C 3.59Å; L118-I189 WeakPolarHBondContact O-CA 3.36Å; I119-I189 HydrophobicContact CG1-CD1 3.98Å; I119-I189 HydrophobicContact CG1-CG1 3.95Å; L164-I189 HydrophobicContact CD1-CD1 3.75Å; W187-I189 HydrophobicContact CZ3-CB 4.38Å
190	I	96.2	Very high	92	Very high	41 Å²	41	58.5 Å²	58.5	21%	0.21	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	134.6	172.1	-176.4	172.6	0	0	0	109.6	P79 C80 M81 Y117 L118 L192	P79-I190 HydrophobicContact CB-CD1 4.13Å; P79-I190 HydrophobicContact CB-CG1 4.48Å; C80-I190 WeakPolarHBondContact O-CA 3.48Å; M81-I190 HydrophobicContact CB-CB 4.41Å; M81-I190 HydrophobicContact CB-CG1 4.44Å; M81-I190 HydrophobicContact CE-CD1 4.24Å; Y117-I190 WeakPolarHBondContact CA-O 3.42Å; L118-I190 HydrophobicContact CB-CG2 3.72Å; L118-I190 HydrophobicContact CD2-CG2 4.17Å; L118-I190 HydrophobicContact CG-CG2 4.26Å; L118-I190 PolarHBondContact N-O 2.89Å; L118-I190 PolarHBondContact O-N 3.02Å; I190-L192 HydrophobicContact CG2-CD2 4.13Å; I190-L192 PolarHBondContact O-N 3.1Å
191	L	95.2	Very high	91.7	Very high	28 Å²	28	61.2 Å²	61.2	15%	0.147	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	117.9	169.4	176.4	63.2	0	0	0	109.1	C80 C100 Y117 A193	C80-L191 HydrophobicContact CB-CB 4.22Å; C80-L191 PolarHBondContact O-N 3.03Å; C100-L191 HydrophobicContact CB-CD2 4.04Å; Y117-L191 HydrophobicContact CD1-CB 4.09Å; Y117-L191 HydrophobicContact CD1-CD1 4.3Å; Y117-L191 HydrophobicContact CD2-CD1 4.21Å; Y117-L191 HydrophobicContact CE1-CB 3.76Å; Y117-L191 HydrophobicContact CE1-CD1 3.94Å; Y117-L191 HydrophobicContact CE1-CG 4.4Å; Y117-L191 HydrophobicContact CE2-CD1 3.78Å; Y117-L191 HydrophobicContact CG-CD1 4.47Å; L191-A193 WeakPolarHBondContact CD1-O 3.14Å
192	L	94	Very high	91.3	Very high	89 Å²	89	60.8 Å²	60.8	47%	0.466	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-45.1	178.8	-61.5	178.6	0	0	0	111.9	L116 L118 T161 I190	L116-L192 HydrophobicContact CD2-CD1 4.2Å; L116-L192 HydrophobicContact CG-CD1 4.41Å; L116-L192 WeakPolarHBondContact O-CB 3.37Å; L116-L192 PolarHBondContact O-N 3.02Å; L118-L192 HydrophobicContact CB-CD1 3.92Å; L118-L192 HydrophobicContact CB-CD2 4.06Å; L118-L192 HydrophobicContact CB-CG 4.02Å; T161-L192 HydrophobicContact CG2-CD1 4.18Å; I190-L192 HydrophobicContact CG2-CD2 4.13Å; I190-L192 PolarHBondContact O-N 3.1Å
193	A	91.4	Very high	91	Very high	43 Å²	43	60.9 Å²	60.9	36%	0.355	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	151.1	-178	0	0	0	0	0	110.9	G115 L116 L191 P195	G115-A193 CarbonylContact C-O 3.53Å; G115-A193 VanDerWaalsContact CA-O 3.27Å; G115-A193 WeakPolarHBondContact CA-O 3.4Å; L116-A193 PolarHBondContact N-O 2.95Å; L116-A193 PolarHBondContact O-N 3.18Å; L191-A193 WeakPolarHBondContact CD1-O 3.14Å; A193-P195 VanDerWaalsContact C-CD 3.43Å; A193-P195 WeakPolarHBondContact O-CD 3.24Å
194	N	89.5	Confident	90.6	Very high	92 Å²	92	57.8 Å²	57.8	49%	0.492	31%	0.308	S	S	.	.			trans	-123.8	65.7	176.9	61	-45.1	0	0	0	110.7	Q113	Q113-N194 PolarHBondContact NE2-ND2 3.2Å
195	P	86.1	Confident	90.1	Very high	33 Å²	33	57.2 Å²	57.2	21%	0.214	31%	0.305	C	S	.	.			trans	-70.4	149.1	-178.1	32.1	-36.4	0	0	0	111.7	A193 F197 I198	A193-P195 VanDerWaalsContact C-CD 3.43Å; A193-P195 WeakPolarHBondContact O-CD 3.24Å; P195-F197 HydrophobicContact CB-CD1 3.71Å; P195-F197 HydrophobicContact CB-CE1 3.32Å; P195-F197 HydrophobicContact CB-CE2 4.29Å; P195-F197 HydrophobicContact CB-CG 4.35Å; P195-F197 HydrophobicContact CB-CZ 3.64Å; P195-F197 HydrophobicContact CG-CD1 4.26Å; P195-F197 HydrophobicContact CG-CD2 4.33Å; P195-F197 HydrophobicContact CG-CE1 3.73Å; P195-F197 HydrophobicContact CG-CE2 3.8Å; P195-F197 HydrophobicContact CG-CZ 3.46Å; P195-F197 VanDerWaalsContact CG-CZ 3.46Å; P195-F197 PolarHBondContact O-N 3.43Å; P195-F197 VanDerWaalsContact O-N 3.09Å; P195-I198 HydrophobicContact CG-CB 4.33Å; P195-I198 HydrophobicContact CG-CD1 3.53Å; P195-I198 HydrophobicContact CG-CG1 3.78Å; P195-I198 PolarHBondContact O-N 2.92Å
196	Q	84	Confident	89.5	Confident	180 Å²	180	61.3 Å²	61.3	84%	0.841	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-18.4	-176.2	-63.9	-67.4	-31.2	0	0	114.5	I198	Q196-I198 VanDerWaalsContact C-N 3.34Å
197	F	84.2	Confident	88.8	Confident	161 Å²	161	61.7 Å²	61.7	71%	0.706	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-10.5	178.2	61.4	-102.8	0	0	0	113.5	P195	P195-F197 HydrophobicContact CB-CD1 3.71Å; P195-F197 HydrophobicContact CB-CE1 3.32Å; P195-F197 HydrophobicContact CB-CE2 4.29Å; P195-F197 HydrophobicContact CB-CG 4.35Å; P195-F197 HydrophobicContact CB-CZ 3.64Å; P195-F197 HydrophobicContact CG-CD1 4.26Å; P195-F197 HydrophobicContact CG-CD2 4.33Å; P195-F197 HydrophobicContact CG-CE1 3.73Å; P195-F197 HydrophobicContact CG-CE2 3.8Å; P195-F197 HydrophobicContact CG-CZ 3.46Å; P195-F197 VanDerWaalsContact CG-CZ 3.46Å; P195-F197 PolarHBondContact O-N 3.43Å; P195-F197 VanDerWaalsContact O-N 3.09Å
198	I	76.6	Confident	88	Confident	10 Å²	10	66.8 Å²	66.8	5%	0.051	36%	0.363	C	S	.	.			trans	-98.9	93.6	169.5	-55.5	175.2	0	0	0	105.3	N114 L116 E163 P195 Q196	N114-I198 HydrophobicContact CB-CG2 4.21Å; N114-I198 VanDerWaalsContact CB-O 3.23Å; N114-I198 WeakPolarHBondContact CB-O 3.48Å; L116-I198 HydrophobicContact CB-CD1 4.48Å; E163-I198 HydrophobicContact CB-CD1 4.42Å; E163-I198 HydrophobicContact CG-CD1 3.89Å; P195-I198 HydrophobicContact CG-CB 4.33Å; P195-I198 HydrophobicContact CG-CD1 3.53Å; P195-I198 HydrophobicContact CG-CG1 3.78Å; P195-I198 PolarHBondContact O-N 2.92Å; Q196-I198 VanDerWaalsContact C-N 3.34Å
199	S	62.7	Low	87.1	Confident	125 Å²	125	72.9 Å²	72.9	87%	0.874	40%	0.396	S	S	*	.			trans	-128.4	0	-172.8	68.5	0	0	0	0	112.1	N114	N114-S199 WeakPolarHBondContact ND2-CA 3.26Å; N114-S199 PolarHBondContact ND2-OXT 3.08Å

Retrieved 199 of 199 residues in 1301.7 ms (Link to these results)

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