A0A087X228_HUMAN Loading...

TNF superfamily member 8

AlphaFold DB , UniProt , Accession A0A087X228, Species HUMAN (Homo sapiens, Human), Gene TNFSF8, Length 164 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	36.5	Very low	38.7	Very low	248 Å²	248	144.4 Å²	144.4	100%	1.222	84%	0.837	S	S	*	*				0	110.2	0	-76.1	177.1	168.6	0	0	105.9
2	D	42.4	Very low	38.5	Very low	167 Å²	167	147.8 Å²	147.8	89%	0.893	84%	0.843	S	S	*	*			trans	-95.8	136.3	178.4	-106.6	-65.9	0	0	0	109.9
3	P	46.8	Very low	39.1	Very low	118 Å²	118	142.3 Å²	142.3	77%	0.766	83%	0.827	S	S	*	*			trans	-109	128.5	154.4	26.9	-11.4	0	0	0	110.4
4	G	38.2	Very low	39.6	Very low	73 Å²	73	140.9 Å²	140.9	75%	0.753	83%	0.825	S	S	*	*			trans	-81.2	172	-177.4	0	0	0	0	0	116.1
5	L	40.4	Very low	40.6	Very low	158 Å²	158	140.3 Å²	140.3	83%	0.827	83%	0.827	S	S	*	*			trans	67	135.9	139.8	-147.4	92.3	0	0	0	119.5
6	Q	42.1	Very low	40.8	Very low	159 Å²	159	135.8 Å²	135.8	74%	0.743	82%	0.819	S	S	*	*			trans	104.4	96.1	157.1	-52.7	-86.9	5.4	0	0	115.5
7	Q	38.7	Very low	40.6	Very low	189 Å²	189	137.2 Å²	137.2	88%	0.883	82%	0.821	S	S	*	*				-153.1	109.8	123.2	-156.1	148.5	-0.9	0	0	111.4
8	A	35.5	Very low	41.2	Very low	65 Å²	65	137.1 Å²	137.1	54%	0.537	82%	0.822	S	S	.	*			trans	-63.2	147.3	171.2	0	0	0	0	0	111.7
9	L	34.3	Very low	41.4	Very low	178 Å²	178	134.4 Å²	134.4	93%	0.932	82%	0.816	S	S	*	*			trans	-135.7	95.6	148.6	-127.8	118.6	0	0	0	109.2
10	N	38.3	Very low	41.6	Very low	152 Å²	152	135.9 Å²	135.9	81%	0.813	82%	0.815	S	S	*	*			trans	-64.8	135.2	170	-69.1	-67.8	0	0	0	110.1
11	G	32.4	Very low	41.9	Very low	81 Å²	81	137.8 Å²	137.8	84%	0.835	82%	0.815	S	S	*	*			trans	-148.9	99.3	163	0	0	0	0	0	109.1
12	M	36.7	Very low	42.7	Very low	185 Å²	185	130.9 Å²	130.9	91%	0.911	79%	0.787	S	S	*	*			trans	-89.9	117.5	-175	-177.8	80.9	-177.4	0	0	111.6
13	A	45.8	Very low	43	Very low	77 Å²	77	127.8 Å²	127.8	64%	0.636	78%	0.776	S	S	*	*			trans	46.7	148.4	144.6	0	0	0	0	0	123.5
14	P	46.4	Very low	43.3	Very low	123 Å²	123	127 Å²	127	80%	0.799	78%	0.779	S	S	*	*				-135.2	168.1	102.5	35.7	-21.4	0	0	0	114.6
15	P	54.1	Low	44	Very low	132 Å²	132	125.7 Å²	125.7	86%	0.857	77%	0.766	S	S	*	*			trans	-92.5	143.4	-160.3	35.9	-29.9	0	0	0	112.6
16	G	43.7	Very low	44.3	Very low	68 Å²	68	122.4 Å²	122.4	70%	0.701	76%	0.756	S	S	*	*			trans	-168.3	126.3	174.5	0	0	0	0	0	113.1
17	D	37.1	Very low	44.6	Very low	159 Å²	159	120.6 Å²	120.6	85%	0.85	76%	0.755	S	S	*	*			trans	80.2	73.2	165.2	-55.8	-21.7	0	0	0	117.9	A19	D17-A19 PolarHBondContact O-N 2.85Å
18	T	51.8	Low	45	Very low	136 Å²	136	115 Å²	115	83%	0.834	74%	0.741	S	S	*	*			trans	-60.3	78.8	144.6	-53.2	0	0	0	0	109.6	M20	T18-M20 PolarHBondContact O-N 3.07Å
19	A	45	Very low	46	Very low	85 Å²	85	115.1 Å²	115.1	70%	0.702	74%	0.739	S	S	*	*			trans	-72.4	109.5	156.6	0	0	0	0	0	107.3	D17 H21	D17-A19 PolarHBondContact O-N 2.85Å; A19-H21 VanDerWaalsContact C-N 3.3Å; A19-H21 PolarHBondContact O-N 3.14Å
20	M	45.2	Very low	46.8	Very low	165 Å²	165	112.8 Å²	112.8	81%	0.813	72%	0.723	S	S	*	*			trans	-56.6	88.5	172.1	-72.6	-88.7	-117.6	0	0	110.1	T18 V22	T18-M20 PolarHBondContact O-N 3.07Å; M20-V22 PolarHBondContact O-N 3.47Å
21	H	48.6	Very low	47.3	Very low	175 Å²	175	111.7 Å²	111.7	81%	0.81	72%	0.716	S	S	*	*			trans	-79.6	79.2	167.1	-156.2	-78.1	0	0	0	108.4	A19 P23	A19-H21 VanDerWaalsContact C-N 3.3Å; A19-H21 PolarHBondContact O-N 3.14Å; H21-P23 VanDerWaalsContact O-CD 3.31Å; H21-P23 WeakPolarHBondContact O-CD 3.42Å
22	V	52.1	Low	48.3	Very low	104 Å²	104	109.6 Å²	109.6	63%	0.63	69%	0.694	S	S	*	*			trans	-59.6	120.2	166.8	175	0	0	0	0	107.5	M20 A24	M20-V22 PolarHBondContact O-N 3.47Å; V22-A24 PolarHBondContact O-N 2.78Å
23	P	49.9	Very low	49.2	Very low	102 Å²	102	105 Å²	105	66%	0.662	68%	0.677	S	S	*	*			trans	-73.8	91.6	176.8	-8.4	24.4	0	0	0	109.2	H21 G25	H21-P23 VanDerWaalsContact O-CD 3.31Å; H21-P23 WeakPolarHBondContact O-CD 3.42Å; P23-G25 PolarHBondContact O-N 2.87Å
24	A	53.7	Low	49.6	Very low	101 Å²	101	105.1 Å²	105.1	84%	0.835	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	30	167.3	0	0	0	0	0	112.6	V22	V22-A24 PolarHBondContact O-N 2.78Å
25	G	52.8	Low	50.4	Low	46 Å²	46	102.6 Å²	102.6	47%	0.474	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-125	-8	-167.6	0	0	0	0	0	115.9	P23 S29	P23-G25 PolarHBondContact O-N 2.87Å; G25-S29 PolarHBondContact O-OG 3.41Å; G25-S29 VanDerWaalsContact O-OG 3.14Å
26	S	46.5	Very low	51	Low	88 Å²	88	104 Å²	104	62%	0.615	64%	0.643	S	S	*	*	H	α-helix	trans	-86.3	-32.3	-176.8	-175.1	0	0	0	0	113	S29	S26-S29 PolarHBondContact O-OG 2.81Å; S26-S29 VanDerWaalsContact O-OG 3.08Å
27	V	47	Very low	52.3	Low	121 Å²	121	103.7 Å²	103.7	73%	0.733	63%	0.631	S	S	*	*	H	α-helix	trans	-79.4	-34.2	-179.2	-174.1	0	0	0	0	112	S29 L31	V27-S29 PolarHBondContact O-N 3.1Å; V27-L31 PolarHBondContact O-N 3.17Å
28	A	48.9	Very low	54.1	Low	71 Å²	71	104.4 Å²	104.4	59%	0.587	62%	0.623	S	S	*	*	H	α-helix	trans	-69	-32.1	179.6	0	0	0	0	0	113.1	G32	A28-G32 PolarHBondContact O-N 2.82Å
29	S	55.5	Low	55.5	Low	69 Å²	69	104.5 Å²	104.5	48%	0.483	61%	0.612	S	S	.	*	H	α-helix	trans	-77.6	-33.7	179.9	52.7	0	0	0	0	113	G25 S26 V27 T33	G25-S29 PolarHBondContact O-OG 3.41Å; G25-S29 VanDerWaalsContact O-OG 3.14Å; S26-S29 PolarHBondContact O-OG 2.81Å; S26-S29 VanDerWaalsContact O-OG 3.08Å; V27-S29 PolarHBondContact O-N 3.1Å; S29-T33 WeakPolarHBondContact O-CG2 3.48Å; S29-T33 PolarHBondContact O-N 3.13Å; S29-T33 VanDerWaalsContact O-N 3.07Å; S29-T33 PolarHBondContact O-OG1 3.32Å
30	H	51.7	Low	57.2	Low	128 Å²	128	106.9 Å²	106.9	59%	0.593	60%	0.603	S	S	*	*	H	α-helix	trans	-69.3	-37.3	174.6	-169.8	-90.1	0	0	0	112.3	T33 T34	H30-T33 WeakPolarHBondContact CA-OG1 3.38Å; H30-T33 PolarHBondContact O-OG1 3.34Å; H30-T34 WeakPolarHBondContact O-CB 3.15Å; H30-T34 PolarHBondContact O-N 3.48Å; H30-T34 VanDerWaalsContact O-N 3.13Å; H30-T34 PolarHBondContact O-OG1 3.47Å
31	L	48.2	Very low	59	Low	129 Å²	129	104.1 Å²	104.1	68%	0.675	59%	0.591	S	S	*	*	H	α-helix	trans	-71.2	-35.8	177.1	-146.5	73.7	0	0	0	112	V27 S35	V27-L31 PolarHBondContact O-N 3.17Å; L31-S35 WeakPolarHBondContact O-CB 3.5Å; L31-S35 PolarHBondContact O-N 2.82Å; L31-S35 VanDerWaalsContact O-N 3.13Å; L31-S35 PolarHBondContact O-OG 3.48Å
32	G	53.1	Low	60.9	Low	37 Å²	37	98.1 Å²	98.1	38%	0.381	57%	0.567	S	S	.	*	H	α-helix	trans	-71.4	-33	175.6	0	0	0	0	0	114.4	A28 S35 R36	A28-G32 PolarHBondContact O-N 2.82Å; G32-S35 WeakPolarHBondContact CA-OG 3.3Å; G32-S35 PolarHBondContact O-OG 3.42Å; G32-R36 WeakPolarHBondContact O-CB 3.46Å; G32-R36 PolarHBondContact O-N 3.37Å
33	T	55.2	Low	62.7	Low	90 Å²	90	96.4 Å²	96.4	55%	0.552	56%	0.557	S	S	*	*	H	α-helix	trans	-76.7	-40.4	176.5	43.9	0	0	0	0	112.1	S29 H30 S37	S29-T33 WeakPolarHBondContact O-CG2 3.48Å; S29-T33 PolarHBondContact O-N 3.13Å; S29-T33 VanDerWaalsContact O-N 3.07Å; S29-T33 PolarHBondContact O-OG1 3.32Å; H30-T33 WeakPolarHBondContact CA-OG1 3.38Å; H30-T33 PolarHBondContact O-OG1 3.34Å; T33-S37 WeakPolarHBondContact O-CB 3.34Å; T33-S37 PolarHBondContact O-N 3.13Å
34	T	56.2	Low	64.7	Low	78 Å²	78	94.4 Å²	94.4	48%	0.479	55%	0.549	S	S	.	.	H	α-helix	trans	-65.7	-45.6	176.8	-54.4	0	0	0	0	112.1	H30 S37 Y38	H30-T34 WeakPolarHBondContact O-CB 3.15Å; H30-T34 PolarHBondContact O-N 3.48Å; H30-T34 VanDerWaalsContact O-N 3.13Å; H30-T34 PolarHBondContact O-OG1 3.47Å; T34-S37 PolarHBondContact O-N 2.79Å; T34-Y38 PolarHBondContact O-N 3.1Å
35	S	61.7	Low	66.6	Low	70 Å²	70	93.5 Å²	93.5	49%	0.49	53%	0.534	S	S	.	.	H	α-helix	trans	-66	-38.8	178.6	53.9	0	0	0	0	112.9	L31 G32 Y38 F39	L31-S35 WeakPolarHBondContact O-CB 3.5Å; L31-S35 PolarHBondContact O-N 2.82Å; L31-S35 VanDerWaalsContact O-N 3.13Å; L31-S35 PolarHBondContact O-OG 3.48Å; G32-S35 WeakPolarHBondContact CA-OG 3.3Å; G32-S35 PolarHBondContact O-OG 3.42Å; S35-Y38 PolarHBondContact O-N 3.49Å; S35-F39 WeakPolarHBondContact O-CB 3.43Å; S35-F39 PolarHBondContact O-N 3.04Å
36	R	66.4	Low	68.6	Low	161 Å²	161	96.2 Å²	96.2	61%	0.608	54%	0.537	S	S	*	.	H	α-helix	trans	-68.5	-38	178	-164.8	178.1	-176.9	175.4	1	111.8	G32 F39 Y40	G32-R36 WeakPolarHBondContact O-CB 3.46Å; G32-R36 PolarHBondContact O-N 3.37Å; R36-F39 PolarHBondContact O-N 2.87Å; R36-Y40 HydrophobicContact CG-CD2 4.06Å; R36-Y40 HydrophobicContact CG-CE2 3.56Å; R36-Y40 WeakPolarHBondContact O-CD2 3.26Å; R36-Y40 PolarHBondContact O-N 2.65Å
37	S	71.2	Confident	70.9	Confident	63 Å²	63	94.4 Å²	94.4	44%	0.441	53%	0.527	S	S	.	.	H	α-helix	trans	-65.9	-44.9	173.4	-170	0	0	0	0	111.7	T33 T34 F39 Y40 L41	T33-S37 WeakPolarHBondContact O-CB 3.34Å; T33-S37 PolarHBondContact O-N 3.13Å; T34-S37 PolarHBondContact O-N 2.79Å; S37-F39 VanDerWaalsContact C-N 3.29Å; S37-F39 PolarHBondContact O-N 2.87Å; S37-Y40 PolarHBondContact O-N 3.13Å; S37-L41 WeakPolarHBondContact O-CB 3.16Å; S37-L41 VanDerWaalsContact O-CG 3.28Å; S37-L41 WeakPolarHBondContact O-CG 3.27Å; S37-L41 PolarHBondContact O-N 3.35Å
38	Y	75.4	Confident	73.2	Confident	174 Å²	174	94.7 Å²	94.7	68%	0.682	52%	0.524	S	S	*	.	H	α-helix	trans	-60.3	-39.4	174.6	-174.4	-97.6	0	0	0	112.2	T34 S35 L41 T42	T34-Y38 PolarHBondContact O-N 3.1Å; S35-Y38 PolarHBondContact O-N 3.49Å; Y38-L41 PolarHBondContact O-N 3.11Å; Y38-T42 VanDerWaalsContact O-CB 3.27Å; Y38-T42 WeakPolarHBondContact O-CB 3.07Å; Y38-T42 PolarHBondContact O-N 3.07Å; Y38-T42 PolarHBondContact O-OG1 3.15Å
39	F	80.7	Confident	75.3	Confident	138 Å²	138	94.6 Å²	94.6	61%	0.605	52%	0.518	S	S	*	.	H	α-helix	trans	-61.4	-50.3	174.6	-173.7	-97.9	0	0	0	111.4	S35 R36 S37 L41 T42 T43	S35-F39 WeakPolarHBondContact O-CB 3.43Å; S35-F39 PolarHBondContact O-N 3.04Å; R36-F39 PolarHBondContact O-N 2.87Å; S37-F39 VanDerWaalsContact C-N 3.29Å; S37-F39 PolarHBondContact O-N 2.87Å; F39-L41 PolarHBondContact O-N 2.83Å; F39-T42 PolarHBondContact O-N 3.17Å; F39-T43 WeakPolarHBondContact O-CB 3.42Å; F39-T43 PolarHBondContact O-N 2.93Å; F39-T43 PolarHBondContact O-OG1 3.28Å
40	Y	80.6	Confident	77.2	Confident	134 Å²	134	96.9 Å²	96.9	53%	0.525	52%	0.524	S	S	.	.	H	α-helix	trans	-62.5	-40.9	177.2	-73.4	-59.8	0	0	0	113	R36 S37 T43 A44	R36-Y40 HydrophobicContact CG-CD2 4.06Å; R36-Y40 HydrophobicContact CG-CE2 3.56Å; R36-Y40 WeakPolarHBondContact O-CD2 3.26Å; R36-Y40 PolarHBondContact O-N 2.65Å; S37-Y40 PolarHBondContact O-N 3.13Å; Y40-T43 PolarHBondContact O-N 2.81Å; Y40-A44 VanDerWaalsContact O-CB 3.27Å; Y40-A44 WeakPolarHBondContact O-CB 3.48Å; Y40-A44 PolarHBondContact O-N 2.75Å
41	L	84.4	Confident	79.3	Confident	107 Å²	107	95.6 Å²	95.6	56%	0.56	53%	0.525	S	S	*	.	H	α-helix	trans	-64.3	-41.7	176.2	-72.4	173	0	0	0	111.6	S37 Y38 F39 A44 T45	S37-L41 WeakPolarHBondContact O-CB 3.16Å; S37-L41 VanDerWaalsContact O-CG 3.28Å; S37-L41 WeakPolarHBondContact O-CG 3.27Å; S37-L41 PolarHBondContact O-N 3.35Å; Y38-L41 PolarHBondContact O-N 3.11Å; F39-L41 PolarHBondContact O-N 2.83Å; L41-A44 PolarHBondContact O-N 3.22Å; L41-T45 VanDerWaalsContact O-CB 3.32Å; L41-T45 WeakPolarHBondContact O-CB 3.05Å; L41-T45 PolarHBondContact O-N 3.25Å; L41-T45 PolarHBondContact O-OG1 2.72Å
42	T	87.7	Confident	81.5	Confident	50 Å²	50	96.5 Å²	96.5	31%	0.307	52%	0.524	S	S	.	.	H	α-helix	trans	-64.7	-46.4	175.7	-56.4	0	0	0	0	110.4	Y38 F39 A44 T45 L46	Y38-T42 VanDerWaalsContact O-CB 3.27Å; Y38-T42 WeakPolarHBondContact O-CB 3.07Å; Y38-T42 PolarHBondContact O-N 3.07Å; Y38-T42 PolarHBondContact O-OG1 3.15Å; F39-T42 PolarHBondContact O-N 3.17Å; T42-A44 PolarHBondContact O-N 2.87Å; T42-T45 PolarHBondContact O-N 2.79Å; T42-L46 HydrophobicContact CG2-CD1 3.96Å; T42-L46 HydrophobicContact CG2-CG 4.33Å; T42-L46 WeakPolarHBondContact O-CB 3.29Å; T42-L46 VanDerWaalsContact O-CG 3.26Å; T42-L46 WeakPolarHBondContact O-CG 3.37Å; T42-L46 PolarHBondContact O-N 2.86Å
43	T	90.2	Very high	83.3	Confident	67 Å²	67	98.2 Å²	98.2	41%	0.411	53%	0.527	S	S	.	.	H	α-helix	trans	-61.5	-43.1	176.8	-54.1	0	0	0	0	111.8	F39 Y40 L46 A47	F39-T43 WeakPolarHBondContact O-CB 3.42Å; F39-T43 PolarHBondContact O-N 2.93Å; F39-T43 PolarHBondContact O-OG1 3.28Å; Y40-T43 PolarHBondContact O-N 2.81Å; T43-L46 PolarHBondContact O-N 3.04Å; T43-A47 VanDerWaalsContact O-CB 3.28Å; T43-A47 WeakPolarHBondContact O-CB 2.91Å; T43-A47 PolarHBondContact O-N 2.91Å
44	A	92.1	Very high	85.2	Confident	60 Å²	60	97.7 Å²	97.7	50%	0.496	52%	0.524	S	S	.	.	H	α-helix	trans	-64.8	-42	177.6	0	0	0	0	0	111.7	Y40 L41 T42 A47 L48	Y40-A44 VanDerWaalsContact O-CB 3.27Å; Y40-A44 WeakPolarHBondContact O-CB 3.48Å; Y40-A44 PolarHBondContact O-N 2.75Å; L41-A44 PolarHBondContact O-N 3.22Å; T42-A44 PolarHBondContact O-N 2.87Å; A44-A47 PolarHBondContact O-N 3.38Å; A44-L48 WeakPolarHBondContact O-CB 3.36Å; A44-L48 PolarHBondContact O-N 2.78Å
45	T	93.1	Very high	86.8	Confident	83 Å²	83	96.3 Å²	96.3	51%	0.509	52%	0.52	S	S	.	.	H	α-helix	trans	-65.6	-45.1	177.4	-55.3	0	0	0	0	111	L41 T42 L48 C49	L41-T45 VanDerWaalsContact O-CB 3.32Å; L41-T45 WeakPolarHBondContact O-CB 3.05Å; L41-T45 PolarHBondContact O-N 3.25Å; L41-T45 PolarHBondContact O-OG1 2.72Å; T42-T45 PolarHBondContact O-N 2.79Å; T45-L48 PolarHBondContact O-N 2.81Å; T45-C49 WeakPolarHBondContact O-CB 3.35Å; T45-C49 PolarHBondContact O-N 2.98Å; T45-C49 PolarHBondContact O-SG 3.17Å; T45-C49 VanDerWaalsContact O-SG 3.41Å
46	L	94.6	Very high	88.1	Confident	103 Å²	103	95.6 Å²	95.6	54%	0.539	51%	0.513	S	S	.	.	H	α-helix	trans	-62.4	-43.9	176.1	-72.7	173.8	0	0	0	111.5	T42 T43 L48 C49 L50	T42-L46 HydrophobicContact CG2-CD1 3.96Å; T42-L46 HydrophobicContact CG2-CG 4.33Å; T42-L46 WeakPolarHBondContact O-CB 3.29Å; T42-L46 VanDerWaalsContact O-CG 3.26Å; T42-L46 WeakPolarHBondContact O-CG 3.37Å; T42-L46 PolarHBondContact O-N 2.86Å; T43-L46 PolarHBondContact O-N 3.04Å; L46-L48 VanDerWaalsContact C-N 3.35Å; L46-L48 PolarHBondContact O-N 2.81Å; L46-C49 PolarHBondContact O-N 2.89Å; L46-L50 WeakPolarHBondContact O-CB 3.41Å; L46-L50 VanDerWaalsContact O-CG 3.26Å; L46-L50 WeakPolarHBondContact O-CG 3.37Å; L46-L50 PolarHBondContact O-N 2.8Å
47	A	94.8	Very high	89.2	Confident	50 Å²	50	92.2 Å²	92.2	41%	0.413	51%	0.506	S	S	.	.	H	α-helix	trans	-60.7	-45.1	176.5	0	0	0	0	0	111.3	T43 A44 L50 V51	T43-A47 VanDerWaalsContact O-CB 3.28Å; T43-A47 WeakPolarHBondContact O-CB 2.91Å; T43-A47 PolarHBondContact O-N 2.91Å; A44-A47 PolarHBondContact O-N 3.38Å; A47-L50 PolarHBondContact O-N 2.9Å; A47-V51 WeakPolarHBondContact O-CG2 3.47Å; A47-V51 PolarHBondContact O-N 3.28Å
48	L	95.7	Very high	90	Very high	127 Å²	127	94.7 Å²	94.7	67%	0.665	51%	0.512	S	S	*	.	H	α-helix	trans	-63.4	-45	176.7	-174.7	65.3	0	0	0	111.8	A44 T45 L46 L50 V51 F52	A44-L48 WeakPolarHBondContact O-CB 3.36Å; A44-L48 PolarHBondContact O-N 2.78Å; T45-L48 PolarHBondContact O-N 2.81Å; L46-L48 VanDerWaalsContact C-N 3.35Å; L46-L48 PolarHBondContact O-N 2.81Å; L48-L50 VanDerWaalsContact C-N 3.33Å; L48-L50 PolarHBondContact O-N 3.35Å; L48-V51 PolarHBondContact O-N 3.09Å; L48-F52 WeakPolarHBondContact O-CB 3.16Å; L48-F52 PolarHBondContact O-N 2.78Å
49	C	93.6	Very high	90.1	Very high	69 Å²	69	89.9 Å²	89.9	47%	0.466	50%	0.501	S	S	.	.	H	α-helix	trans	-59.8	-42	175.5	-78.8	0	0	0	0	111.9	T45 L46 F52 T53	T45-C49 WeakPolarHBondContact O-CB 3.35Å; T45-C49 PolarHBondContact O-N 2.98Å; T45-C49 PolarHBondContact O-SG 3.17Å; T45-C49 VanDerWaalsContact O-SG 3.41Å; L46-C49 PolarHBondContact O-N 2.89Å; C49-F52 PolarHBondContact O-N 2.83Å; C49-T53 VanDerWaalsContact O-CB 3.25Å; C49-T53 WeakPolarHBondContact O-CB 3.35Å; C49-T53 PolarHBondContact O-N 2.99Å; C49-T53 PolarHBondContact O-OG1 2.86Å
50	L	95	Very high	89.9	Confident	117 Å²	117	88.1 Å²	88.1	61%	0.613	50%	0.497	S	S	*	.	H	α-helix	trans	-63.7	-46.6	176.7	-74.3	172.1	0	0	0	111.3	L46 A47 L48 F52 T53 V54	L46-L50 WeakPolarHBondContact O-CB 3.41Å; L46-L50 VanDerWaalsContact O-CG 3.26Å; L46-L50 WeakPolarHBondContact O-CG 3.37Å; L46-L50 PolarHBondContact O-N 2.8Å; A47-L50 PolarHBondContact O-N 2.9Å; L48-L50 VanDerWaalsContact C-N 3.33Å; L48-L50 PolarHBondContact O-N 3.35Å; L50-F52 PolarHBondContact O-N 3.17Å; L50-T53 PolarHBondContact O-N 3.42Å; L50-V54 WeakPolarHBondContact O-CB 3.38Å; L50-V54 VanDerWaalsContact O-CG2 3.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.49Å; L50-V54 PolarHBondContact O-N 3.3Å
51	V	96.1	Very high	89.5	Confident	101 Å²	101	85.1 Å²	85.1	61%	0.612	49%	0.492	S	S	*	.	H	α-helix	trans	-60.1	-46.8	176.8	171.9	0	0	0	0	110.8	A47 L48 T53 V54 A55	A47-V51 WeakPolarHBondContact O-CG2 3.47Å; A47-V51 PolarHBondContact O-N 3.28Å; L48-V51 PolarHBondContact O-N 3.09Å; V51-T53 PolarHBondContact O-N 2.97Å; V51-V54 PolarHBondContact O-N 2.83Å; V51-A55 VanDerWaalsContact O-CB 3.26Å; V51-A55 WeakPolarHBondContact O-CB 3.24Å; V51-A55 PolarHBondContact O-N 3.28Å
52	F	93.4	Very high	88.9	Confident	147 Å²	147	83.8 Å²	83.8	65%	0.645	49%	0.488	S	S	*	.	H	α-helix	trans	-64.1	-40.7	178.8	-170.5	-96.9	0	0	0	112.1	L48 C49 L50 A55 T56	L48-F52 WeakPolarHBondContact O-CB 3.16Å; L48-F52 PolarHBondContact O-N 2.78Å; C49-F52 PolarHBondContact O-N 2.83Å; L50-F52 PolarHBondContact O-N 3.17Å; F52-A55 PolarHBondContact O-N 2.97Å; F52-T56 WeakPolarHBondContact O-CB 3.3Å; F52-T56 PolarHBondContact O-N 3.38Å; F52-T56 PolarHBondContact O-OG1 2.78Å
53	T	92	Very high	87.8	Confident	74 Å²	74	86.8 Å²	86.8	45%	0.454	50%	0.499	S	S	.	.	H	α-helix	trans	-64.6	-48	177.3	-58.2	0	0	0	0	110.8	C49 L50 V51 T56 I57	C49-T53 VanDerWaalsContact O-CB 3.25Å; C49-T53 WeakPolarHBondContact O-CB 3.35Å; C49-T53 PolarHBondContact O-N 2.99Å; C49-T53 PolarHBondContact O-OG1 2.86Å; L50-T53 PolarHBondContact O-N 3.42Å; V51-T53 PolarHBondContact O-N 2.97Å; T53-T56 PolarHBondContact O-N 3.47Å; T53-I57 HydrophobicContact CG2-CD1 3.84Å; T53-I57 HydrophobicContact CG2-CG1 4.45Å; T53-I57 WeakPolarHBondContact O-CB 3.42Å; T53-I57 VanDerWaalsContact O-CG1 3.27Å; T53-I57 WeakPolarHBondContact O-CG1 3.48Å; T53-I57 PolarHBondContact O-N 2.92Å
54	V	94.1	Very high	86.4	Confident	79 Å²	79	92.1 Å²	92.1	48%	0.479	51%	0.511	S	S	.	.	H	α-helix	trans	-63	-44	177.5	172.3	0	0	0	0	110.7	L50 V51 T56 I57 M58	L50-V54 WeakPolarHBondContact O-CB 3.38Å; L50-V54 VanDerWaalsContact O-CG2 3.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.49Å; L50-V54 PolarHBondContact O-N 3.3Å; V51-V54 PolarHBondContact O-N 2.83Å; V54-T56 VanDerWaalsContact C-N 3.34Å; V54-T56 PolarHBondContact O-N 2.83Å; V54-I57 PolarHBondContact O-N 3.48Å; V54-M58 HydrophobicContact CG1-CG 4.25Å; V54-M58 WeakPolarHBondContact O-CB 3.3Å; V54-M58 VanDerWaalsContact O-CG 3.24Å; V54-M58 WeakPolarHBondContact O-CG 3.45Å; V54-M58 PolarHBondContact O-N 3.46Å
55	A	91.1	Very high	84.7	Confident	49 Å²	49	93.5 Å²	93.5	41%	0.405	51%	0.514	S	S	.	.	H	α-helix	trans	-60.2	-44.4	175.9	0	0	0	0	0	111.5	V51 F52 M58 V59	V51-A55 VanDerWaalsContact O-CB 3.26Å; V51-A55 WeakPolarHBondContact O-CB 3.24Å; V51-A55 PolarHBondContact O-N 3.28Å; F52-A55 PolarHBondContact O-N 2.97Å; A55-M58 PolarHBondContact O-N 3.43Å; A55-V59 WeakPolarHBondContact O-CB 3.17Å; A55-V59 VanDerWaalsContact O-CG2 3.27Å; A55-V59 WeakPolarHBondContact O-CG2 3.42Å; A55-V59 PolarHBondContact O-N 3.11Å
56	T	88.8	Confident	82.5	Confident	54 Å²	54	95.8 Å²	95.8	33%	0.331	52%	0.523	S	S	.	.	H	α-helix	trans	-64.2	-43.8	176.8	-54.3	0	0	0	0	111.1	F52 T53 V54 M58 V59 L60	F52-T56 WeakPolarHBondContact O-CB 3.3Å; F52-T56 PolarHBondContact O-N 3.38Å; F52-T56 PolarHBondContact O-OG1 2.78Å; T53-T56 PolarHBondContact O-N 3.47Å; V54-T56 VanDerWaalsContact C-N 3.34Å; V54-T56 PolarHBondContact O-N 2.83Å; T56-M58 VanDerWaalsContact C-N 3.35Å; T56-M58 PolarHBondContact O-N 2.69Å; T56-V59 PolarHBondContact O-N 2.53Å; T56-L60 HydrophobicContact CG2-CD1 4.16Å; T56-L60 HydrophobicContact CG2-CG 4.36Å; T56-L60 WeakPolarHBondContact O-CB 3.41Å; T56-L60 VanDerWaalsContact O-CG 3.24Å; T56-L60 WeakPolarHBondContact O-CG 3.29Å; T56-L60 PolarHBondContact O-N 3.43Å
57	I	88.6	Confident	80.2	Confident	90 Å²	90	95.1 Å²	95.1	46%	0.462	53%	0.527	S	S	.	.	H	α-helix	trans	-61.7	-44.2	175	-69.6	168.2	0	0	0	110.3	T53 V54 V59 L60 V61	T53-I57 HydrophobicContact CG2-CD1 3.84Å; T53-I57 HydrophobicContact CG2-CG1 4.45Å; T53-I57 WeakPolarHBondContact O-CB 3.42Å; T53-I57 VanDerWaalsContact O-CG1 3.27Å; T53-I57 WeakPolarHBondContact O-CG1 3.48Å; T53-I57 PolarHBondContact O-N 2.92Å; V54-I57 PolarHBondContact O-N 3.48Å; I57-V59 PolarHBondContact O-N 2.79Å; I57-L60 CarbonylContact O-C 3.54Å; I57-L60 PolarHBondContact O-N 2.91Å; I57-V61 HydrophobicContact CG2-CG2 4.11Å; I57-V61 WeakPolarHBondContact O-CB 3.25Å; I57-V61 WeakPolarHBondContact O-CG2 3.43Å; I57-V61 PolarHBondContact O-N 2.78Å
58	M	87.6	Confident	77.7	Confident	115 Å²	115	95.9 Å²	95.9	57%	0.567	52%	0.523	S	S	*	.	H	α-helix	trans	-62.5	-42.8	177	-72.6	-64	-176.7	0	0	111.3	V54 A55 T56 V61 V62	V54-M58 HydrophobicContact CG1-CG 4.25Å; V54-M58 WeakPolarHBondContact O-CB 3.3Å; V54-M58 VanDerWaalsContact O-CG 3.24Å; V54-M58 WeakPolarHBondContact O-CG 3.45Å; V54-M58 PolarHBondContact O-N 3.46Å; A55-M58 PolarHBondContact O-N 3.43Å; T56-M58 VanDerWaalsContact C-N 3.35Å; T56-M58 PolarHBondContact O-N 2.69Å; M58-V61 PolarHBondContact O-N 2.79Å; M58-V62 WeakPolarHBondContact O-CB 3.33Å; M58-V62 WeakPolarHBondContact O-CG2 3.44Å; M58-V62 PolarHBondContact O-N 2.88Å
59	V	78.6	Confident	75	Confident	74 Å²	74	95.6 Å²	95.6	45%	0.448	53%	0.529	S	S	.	.	H	α-helix	trans	-64	-43	174.6	170.5	0	0	0	0	110.8	A55 T56 I57 V61 V62 Q63	A55-V59 WeakPolarHBondContact O-CB 3.17Å; A55-V59 VanDerWaalsContact O-CG2 3.27Å; A55-V59 WeakPolarHBondContact O-CG2 3.42Å; A55-V59 PolarHBondContact O-N 3.11Å; T56-V59 PolarHBondContact O-N 2.53Å; I57-V59 PolarHBondContact O-N 2.79Å; V59-V61 VanDerWaalsContact C-N 3.33Å; V59-V61 PolarHBondContact O-N 3.03Å; V59-V62 PolarHBondContact O-N 2.92Å; V59-Q63 HydrophobicContact CG1-CG 4.19Å; V59-Q63 WeakPolarHBondContact O-CB 3.15Å; V59-Q63 WeakPolarHBondContact O-CG 3.47Å; V59-Q63 PolarHBondContact O-N 2.99Å
60	L	76.1	Confident	72.3	Confident	101 Å²	101	99.3 Å²	99.3	53%	0.529	55%	0.545	S	S	.	.	H	α-helix	trans	-64.2	-38.1	175.1	-73	175.9	0	0	0	111.5	T56 I57 R64	T56-L60 HydrophobicContact CG2-CD1 4.16Å; T56-L60 HydrophobicContact CG2-CG 4.36Å; T56-L60 WeakPolarHBondContact O-CB 3.41Å; T56-L60 VanDerWaalsContact O-CG 3.24Å; T56-L60 WeakPolarHBondContact O-CG 3.29Å; T56-L60 PolarHBondContact O-N 3.43Å; I57-L60 CarbonylContact O-C 3.54Å; I57-L60 PolarHBondContact O-N 2.91Å; L60-R64 WeakPolarHBondContact O-CB 3.24Å; L60-R64 PolarHBondContact O-N 3.25Å
61	V	71.7	Confident	69.8	Low	71 Å²	71	97.6 Å²	97.6	43%	0.43	54%	0.542	S	S	.	.	H	α-helix	trans	-69.5	-43.9	176.8	167.9	0	0	0	0	110.6	I57 M58 V59 R64 T65	I57-V61 HydrophobicContact CG2-CG2 4.11Å; I57-V61 WeakPolarHBondContact O-CB 3.25Å; I57-V61 WeakPolarHBondContact O-CG2 3.43Å; I57-V61 PolarHBondContact O-N 2.78Å; M58-V61 PolarHBondContact O-N 2.79Å; V59-V61 VanDerWaalsContact C-N 3.33Å; V59-V61 PolarHBondContact O-N 3.03Å; V61-R64 CarbonylContact O-C 3.55Å; V61-R64 PolarHBondContact O-N 3.35Å; V61-T65 VanDerWaalsContact O-CB 3.24Å; V61-T65 WeakPolarHBondContact O-CB 3.19Å; V61-T65 PolarHBondContact O-N 3.43Å; V61-T65 PolarHBondContact O-OG1 2.73Å
62	V	72.7	Confident	67.2	Low	78 Å²	78	96.2 Å²	96.2	47%	0.473	54%	0.535	S	S	.	.	H	α-helix	trans	-66.4	-49	177	169.7	0	0	0	0	110	M58 V59 R64 T65 D66	M58-V62 WeakPolarHBondContact O-CB 3.33Å; M58-V62 WeakPolarHBondContact O-CG2 3.44Å; M58-V62 PolarHBondContact O-N 2.88Å; V59-V62 PolarHBondContact O-N 2.92Å; V62-R64 VanDerWaalsContact C-N 3.3Å; V62-R64 PolarHBondContact O-N 2.64Å; V62-T65 CarbonylContact O-C 3.52Å; V62-T65 WeakPolarHBondContact O-CA 3.45Å; V62-T65 WeakPolarHBondContact O-CB 3.22Å; V62-T65 PolarHBondContact O-N 2.75Å; V62-D66 WeakPolarHBondContact CG1-OD2 3.1Å; V62-D66 WeakPolarHBondContact O-CB 3.2Å; V62-D66 PolarHBondContact O-N 2.76Å
63	Q	63.6	Low	64.6	Low	113 Å²	113	95.3 Å²	95.3	53%	0.528	54%	0.537	S	S	.	.	H	α-helix	trans	-58.3	-43.4	173.3	-73.9	-179.4	18.4	0	0	111	V59 T65 S67	V59-Q63 HydrophobicContact CG1-CG 4.19Å; V59-Q63 WeakPolarHBondContact O-CB 3.15Å; V59-Q63 WeakPolarHBondContact O-CG 3.47Å; V59-Q63 PolarHBondContact O-N 2.99Å; Q63-T65 VanDerWaalsContact C-N 3.3Å; Q63-T65 PolarHBondContact O-N 3.45Å; Q63-S67 WeakPolarHBondContact O-CA 3.22Å; Q63-S67 WeakPolarHBondContact O-CB 3.44Å; Q63-S67 PolarHBondContact O-N 3.37Å; Q63-S67 PolarHBondContact O-OG 3.34Å
64	R	60.5	Low	62.1	Low	179 Å²	179	98.3 Å²	98.3	68%	0.675	55%	0.55	S	S	*	*	H	α-helix	trans	-64.2	-35.7	174.3	-165.2	-165.4	-172.1	167.1	2.8	111.2	L60 V61 V62 I68	L60-R64 WeakPolarHBondContact O-CB 3.24Å; L60-R64 PolarHBondContact O-N 3.25Å; V61-R64 CarbonylContact O-C 3.55Å; V61-R64 PolarHBondContact O-N 3.35Å; V62-R64 VanDerWaalsContact C-N 3.3Å; V62-R64 PolarHBondContact O-N 2.64Å; R64-I68 HydrophobicContact CG-CD1 3.58Å; R64-I68 HydrophobicContact CG-CG1 4.18Å; R64-I68 WeakPolarHBondContact O-CB 3.35Å; R64-I68 WeakPolarHBondContact O-CD1 3.2Å; R64-I68 WeakPolarHBondContact O-CG1 3.01Å; R64-I68 PolarHBondContact O-N 3.23Å
65	T	56.7	Low	59.5	Low	90 Å²	90	98.6 Å²	98.6	55%	0.552	55%	0.552	S	S	*	*	H	α-helix	trans	-71.8	-41.1	179.3	-60.4	0	0	0	0	111.7	V61 V62 Q63	V61-T65 VanDerWaalsContact O-CB 3.24Å; V61-T65 WeakPolarHBondContact O-CB 3.19Å; V61-T65 PolarHBondContact O-N 3.43Å; V61-T65 PolarHBondContact O-OG1 2.73Å; V62-T65 CarbonylContact O-C 3.52Å; V62-T65 WeakPolarHBondContact O-CA 3.45Å; V62-T65 WeakPolarHBondContact O-CB 3.22Å; V62-T65 PolarHBondContact O-N 2.75Å; Q63-T65 VanDerWaalsContact C-N 3.3Å; Q63-T65 PolarHBondContact O-N 3.45Å
66	D	46.6	Very low	56.9	Low	130 Å²	130	101.1 Å²	101.1	70%	0.695	56%	0.564	S	S	*	*	H	α-helix	trans	-83.7	-25.2	-179.2	-68.1	-38.1	0	0	0	112.8	V62	V62-D66 WeakPolarHBondContact CG1-OD2 3.1Å; V62-D66 WeakPolarHBondContact O-CB 3.2Å; V62-D66 PolarHBondContact O-N 2.76Å
67	S	46.9	Very low	54.6	Low	89 Å²	89	105 Å²	105	62%	0.622	58%	0.582	S	S	*	*	H	α-helix	trans	-98.3	-6.9	176.5	71	0	0	0	0	114.2	Q63 P69	Q63-S67 WeakPolarHBondContact O-CA 3.22Å; Q63-S67 WeakPolarHBondContact O-CB 3.44Å; Q63-S67 PolarHBondContact O-N 3.37Å; Q63-S67 PolarHBondContact O-OG 3.34Å; S67-P69 WeakPolarHBondContact O-CD 3.46Å
68	I	41.8	Very low	52.2	Low	66 Å²	66	109 Å²	109	34%	0.338	60%	0.597	S	S	.	*	S	Bend	trans	-79.8	110.3	159.9	-75.1	167	0	0	0	106.6	R64 N70	R64-I68 HydrophobicContact CG-CD1 3.58Å; R64-I68 HydrophobicContact CG-CG1 4.18Å; R64-I68 WeakPolarHBondContact O-CB 3.35Å; R64-I68 WeakPolarHBondContact O-CD1 3.2Å; R64-I68 WeakPolarHBondContact O-CG1 3.01Å; R64-I68 PolarHBondContact O-N 3.23Å; I68-N70 VanDerWaalsContact C-N 3.33Å; I68-N70 PolarHBondContact O-N 3.12Å
69	P	40.2	Very low	49.8	Very low	121 Å²	121	107.7 Å²	107.7	79%	0.786	61%	0.612	S	S	*	*			trans	-59.1	109.4	153.1	25.6	-28.2	0	0	0	105.3	S67 S71	S67-P69 WeakPolarHBondContact O-CD 3.46Å; P69-S71 PolarHBondContact O-N 2.91Å
70	N	36.4	Very low	48	Very low	148 Å²	148	106.3 Å²	106.3	79%	0.791	61%	0.613	S	S	*	*			trans	7.2	104.2	176.3	-68.4	-77.5	0	0	0	113.6	I68 P72	I68-N70 VanDerWaalsContact C-N 3.33Å; I68-N70 PolarHBondContact O-N 3.12Å; N70-P72 WeakPolarHBondContact O-CD 3.45Å
71	S	41.6	Very low	46.6	Very low	81 Å²	81	104.8 Å²	104.8	57%	0.566	61%	0.605	S	S	*	*			trans	-49.4	115.7	163	166	0	0	0	0	106.8	P69 D73	P69-S71 PolarHBondContact O-N 2.91Å; S71-D73 PolarHBondContact O-N 2.73Å
72	P	42.7	Very low	45.6	Very low	72 Å²	72	105.3 Å²	105.3	47%	0.468	61%	0.611	S	S	.	*			trans	-72.6	100.3	164.9	26.5	-18.4	0	0	0	104.2	N70 N74 V75	N70-P72 WeakPolarHBondContact O-CD 3.45Å; P72-N74 PolarHBondContact O-N 3.28Å; P72-N74 VanDerWaalsContact O-N 3.12Å; P72-V75 HydrophobicContact CB-CG2 4.24Å; P72-V75 HydrophobicContact CG-CG2 3.99Å
73	D	38.2	Very low	44.8	Very low	128 Å²	128	103 Å²	103	68%	0.684	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-16.4	113.6	147.2	-81.3	-30	0	0	0	109.8	S71 V75	S71-D73 PolarHBondContact O-N 2.73Å; D73-V75 PolarHBondContact O-N 2.82Å
74	N	40.8	Very low	44.6	Very low	136 Å²	136	103.8 Å²	103.8	73%	0.727	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	43.4	66.8	160.4	35.7	-86.2	0	0	0	113.2	P72 P76	P72-N74 PolarHBondContact O-N 3.28Å; P72-N74 VanDerWaalsContact O-N 3.12Å; N74-P76 WeakPolarHBondContact O-CD 3.34Å; N74-P76 VanDerWaalsContact O-N 3.11Å
75	V	38.5	Very low	44.6	Very low	85 Å²	85	97.8 Å²	97.8	52%	0.515	58%	0.583	S	S	.	*			trans	-61.5	112.6	151.4	-171.2	0	0	0	0	104.7	P72 D73 L77	P72-V75 HydrophobicContact CB-CG2 4.24Å; P72-V75 HydrophobicContact CG-CG2 3.99Å; D73-V75 PolarHBondContact O-N 2.82Å; V75-L77 PolarHBondContact O-N 3.47Å
76	P	36.4	Very low	45	Very low	102 Å²	102	95.7 Å²	95.7	66%	0.662	57%	0.568	S	S	*	*			trans	-59	122.5	171.7	-5	19.6	0	0	0	104.2	N74 K78	N74-P76 WeakPolarHBondContact O-CD 3.34Å; N74-P76 VanDerWaalsContact O-N 3.11Å; P76-K78 PolarHBondContact O-N 2.86Å
77	L	40.8	Very low	45.9	Very low	135 Å²	135	91 Å²	91	71%	0.707	54%	0.543	S	S	*	.			trans	-61.6	79.3	160.1	-72.5	166.5	0	0	0	105.2	V75 G79 D85	V75-L77 PolarHBondContact O-N 3.47Å; L77-G79 PolarHBondContact O-N 3.45Å; L77-D85 HydrophobicContact CD2-CB 4.47Å
78	K	37.7	Very low	46.6	Very low	176 Å²	176	89 Å²	89	77%	0.765	53%	0.529	S	S	*	.			trans	-71.9	93.9	-179.4	-178.4	161.9	-178	172.8	0	103.2	P76 G80	P76-K78 PolarHBondContact O-N 2.86Å; K78-G80 VanDerWaalsContact C-N 3.28Å; K78-G80 WeakPolarHBondContact O-CA 3.24Å; K78-G80 PolarHBondContact O-N 2.84Å
79	G	37.5	Very low	47.8	Very low	86 Å²	86	90.3 Å²	90.3	89%	0.887	54%	0.535	S	S	*	.	S	Bend	trans	-43.1	90.9	-175.4	0	0	0	0	0	111.5	L77	L77-G79 PolarHBondContact O-N 3.45Å
80	G	40.9	Very low	49	Very low	45 Å²	45	84.7 Å²	84.7	46%	0.464	50%	0.499	S	S	.	.	S	Bend	trans	-169	74.7	-156.3	0	0	0	0	0	108.7	K78	K78-G80 VanDerWaalsContact C-N 3.28Å; K78-G80 WeakPolarHBondContact O-CA 3.24Å; K78-G80 PolarHBondContact O-N 2.84Å
81	N	45.4	Very low	50.2	Low	69 Å²	69	84.1 Å²	84.1	37%	0.369	49%	0.489	S	S	.	.			trans	66.1	108.9	-176.1	103.3	78	0	0	0	115.5	S83 E84	N81-S83 PolarHBondContact O-N 3.49Å; N81-S83 VanDerWaalsContact O-N 3.09Å; N81-S83 WeakPolarHBondContact OD1-CB 3.19Å; N81-S83 PolarHBondContact OD1-N 3.49Å; N81-E84 PolarHBondContact ND2-OE1 3.3Å; N81-E84 PolarHBondContact ND2-OE2 2.73Å; N81-E84 WeakPolarHBondContact OD1-CB 2.95Å; N81-E84 VanDerWaalsContact OD1-CG 3.29Å; N81-E84 WeakPolarHBondContact OD1-CG 3.09Å; N81-E84 PolarHBondContact OD1-N 3.31Å
82	C	52.3	Low	51.2	Low	82 Å²	82	87.8 Å²	87.8	55%	0.554	49%	0.491	S	S	*	.	H	α-helix	trans	-65.3	-12.2	178.3	-50.3	0	0	0	0	113.7	L86	C82-L86 VanDerWaalsContact O-CB 3.3Å; C82-L86 WeakPolarHBondContact O-CB 3.18Å; C82-L86 PolarHBondContact O-N 3.28Å
83	S	55.7	Low	52.1	Low	30 Å²	30	85.5 Å²	85.5	21%	0.21	48%	0.478	C	S	.	.	H	α-helix	trans	-77.3	-46.6	-174.3	166.9	0	0	0	0	111.6	N81 L87 Y101	N81-S83 PolarHBondContact O-N 3.49Å; N81-S83 VanDerWaalsContact O-N 3.09Å; N81-S83 WeakPolarHBondContact OD1-CB 3.19Å; N81-S83 PolarHBondContact OD1-N 3.49Å; S83-L87 WeakPolarHBondContact O-CB 3.17Å; S83-L87 PolarHBondContact O-N 3.3Å; S83-L87 VanDerWaalsContact O-N 3.11Å; S83-Y101 WeakPolarHBondContact CB-OH 3.29Å; S83-Y101 PolarHBondContact OG-OH 2.84Å
84	E	58.8	Low	52.8	Low	130 Å²	130	84.6 Å²	84.6	61%	0.607	48%	0.479	S	S	*	.	H	α-helix	trans	-72.1	-37.3	179.3	-72.8	171.4	-170.3	0	0	111.4	N81 L87 C88	N81-E84 PolarHBondContact ND2-OE1 3.3Å; N81-E84 PolarHBondContact ND2-OE2 2.73Å; N81-E84 WeakPolarHBondContact OD1-CB 2.95Å; N81-E84 VanDerWaalsContact OD1-CG 3.29Å; N81-E84 WeakPolarHBondContact OD1-CG 3.09Å; N81-E84 PolarHBondContact OD1-N 3.31Å; E84-L87 PolarHBondContact O-N 2.78Å; E84-C88 WeakPolarHBondContact O-CB 3.41Å; E84-C88 PolarHBondContact O-N 2.65Å
85	D	60.9	Low	53.9	Low	52 Å²	52	80.4 Å²	80.4	28%	0.278	45%	0.454	S	S	.	.	H	α-helix	trans	-61.6	-45.7	175.1	-73.4	-19.7	0	0	0	111.5	L77 C88 I89	L77-D85 HydrophobicContact CD2-CB 4.47Å; D85-C88 WeakPolarHBondContact O-CB 3.34Å; D85-C88 PolarHBondContact O-N 2.71Å; D85-I89 WeakPolarHBondContact O-CD1 3.26Å; D85-I89 VanDerWaalsContact O-CG1 3.22Å; D85-I89 WeakPolarHBondContact O-CG1 3.27Å; D85-I89 PolarHBondContact O-N 3.41Å
86	L	64.9	Low	54.8	Low	46 Å²	46	84.8 Å²	84.8	24%	0.241	47%	0.466	C	S	.	.	H	α-helix	trans	-68.1	-40.2	179.8	-159.8	72.2	0	0	0	111.9	C82 C88 I89 L90 Y101 C158	C82-L86 VanDerWaalsContact O-CB 3.3Å; C82-L86 WeakPolarHBondContact O-CB 3.18Å; C82-L86 PolarHBondContact O-N 3.28Å; L86-C88 VanDerWaalsContact C-N 3.33Å; L86-I89 PolarHBondContact O-N 3.49Å; L86-L90 WeakPolarHBondContact O-CB 3.33Å; L86-L90 WeakPolarHBondContact O-CG 3.19Å; L86-L90 PolarHBondContact O-N 2.79Å; L86-Y101 HydrophobicContact CD2-CE2 4.12Å; L86-C158 WeakPolarHBondContact CD2-SG 3.49Å
87	L	64.6	Low	56.1	Low	32 Å²	32	83.8 Å²	83.8	17%	0.168	45%	0.452	C	S	.	.	H	α-helix	trans	-65.9	-37.3	174.7	-176.9	62.9	0	0	0	111.9	S83 E84 L90 K91 W99 Y101 I120	S83-L87 WeakPolarHBondContact O-CB 3.17Å; S83-L87 PolarHBondContact O-N 3.3Å; S83-L87 VanDerWaalsContact O-N 3.11Å; E84-L87 PolarHBondContact O-N 2.78Å; L87-L90 PolarHBondContact O-N 3.32Å; L87-K91 HydrophobicContact CG-CD 4.44Å; L87-K91 WeakPolarHBondContact O-CB 3.21Å; L87-K91 WeakPolarHBondContact O-CG 3.32Å; L87-K91 PolarHBondContact O-N 3.45Å; L87-W99 HydrophobicContact CD1-CH2 4.18Å; L87-W99 HydrophobicContact CD1-CZ3 3.89Å; L87-Y101 HydrophobicContact CD1-CG 4.36Å; L87-I120 HydrophobicContact CD1-CD1 3.55Å; L87-I120 HydrophobicContact CD2-CD1 3.63Å; L87-I120 HydrophobicContact CG-CD1 4.24Å
88	C	63.5	Low	57.4	Low	46 Å²	46	77.5 Å²	77.5	31%	0.311	42%	0.419	S	S	.	.	H	α-helix	trans	-63.8	-43.9	174.6	-173	0	0	0	0	110.9	E84 D85 L86 K91 R92	E84-C88 WeakPolarHBondContact O-CB 3.41Å; E84-C88 PolarHBondContact O-N 2.65Å; D85-C88 WeakPolarHBondContact O-CB 3.34Å; D85-C88 PolarHBondContact O-N 2.71Å; L86-C88 VanDerWaalsContact C-N 3.33Å; C88-K91 PolarHBondContact O-N 2.89Å; C88-R92 VanDerWaalsContact O-CB 3.3Å; C88-R92 WeakPolarHBondContact O-CB 3.47Å; C88-R92 VanDerWaalsContact O-CG 3.25Å; C88-R92 WeakPolarHBondContact O-CG 3.27Å; C88-R92 PolarHBondContact O-N 3.47Å; C88-R92 PolarHBondContact SG-NE 2.98Å; C88-R92 VanDerWaalsContact SG-NE 3.43Å
89	I	65.5	Low	59.1	Low	94 Å²	94	70.5 Å²	70.5	48%	0.482	39%	0.387	S	S	.	.	H	α-helix	trans	-61.9	-48.2	175	-67.9	162	0	0	0	110.6	D85 L86 K91 R92 A93	D85-I89 WeakPolarHBondContact O-CD1 3.26Å; D85-I89 VanDerWaalsContact O-CG1 3.22Å; D85-I89 WeakPolarHBondContact O-CG1 3.27Å; D85-I89 PolarHBondContact O-N 3.41Å; L86-I89 PolarHBondContact O-N 3.49Å; I89-K91 VanDerWaalsContact C-N 3.33Å; I89-K91 PolarHBondContact O-N 2.85Å; I89-R92 PolarHBondContact O-N 3.31Å; I89-A93 VanDerWaalsContact O-CB 3.24Å; I89-A93 WeakPolarHBondContact O-CB 3.39Å; I89-A93 PolarHBondContact O-N 3.44Å
90	L	64.9	Low	60.9	Low	3 Å²	3	66.4 Å²	66.4	2%	0.016	35%	0.345	C	S	.	.	H	α-helix	trans	-58.6	-42.4	177.8	-80.3	164.2	0	0	0	112.7	L86 L87 F95 W99 Y101 C158 E160	L86-L90 WeakPolarHBondContact O-CB 3.33Å; L86-L90 WeakPolarHBondContact O-CG 3.19Å; L86-L90 PolarHBondContact O-N 2.79Å; L87-L90 PolarHBondContact O-N 3.32Å; L90-F95 HydrophobicContact CD2-CD2 4.41Å; L90-F95 HydrophobicContact CD2-CE2 4.34Å; L90-W99 HydrophobicContact CB-CE3 4.3Å; L90-W99 HydrophobicContact CD1-CE3 4.47Å; L90-W99 HydrophobicContact CD2-CB 4.47Å; L90-Y101 HydrophobicContact CD1-CD2 4.06Å; L90-C158 HydrophobicContact CD1-CB 4.43Å; L90-E160 HydrophobicContact CD2-CG 4.06Å
91	K	63.3	Low	62.4	Low	136 Å²	136	64.6 Å²	64.6	59%	0.591	33%	0.325	S	S	*	.	H	α-helix	trans	-70.2	-31.5	177.7	-76.6	-179.7	177.7	-179.3	0	113.4	L87 C88 I89 W99	L87-K91 HydrophobicContact CG-CD 4.44Å; L87-K91 WeakPolarHBondContact O-CB 3.21Å; L87-K91 WeakPolarHBondContact O-CG 3.32Å; L87-K91 PolarHBondContact O-N 3.45Å; C88-K91 PolarHBondContact O-N 2.89Å; I89-K91 VanDerWaalsContact C-N 3.33Å; I89-K91 PolarHBondContact O-N 2.85Å; K91-W99 HydrophobicContact CG-CH2 4.17Å; K91-W99 HydrophobicContact CG-CZ2 4.42Å
92	R	62	Low	63.8	Low	159 Å²	159	61.4 Å²	61.4	60%	0.6	31%	0.307	S	S	*	.	H	α-helix	trans	-86.6	-26.6	-178.3	-76.3	179.8	177	-172.6	1.5	113.2	C88 I89	C88-R92 VanDerWaalsContact O-CB 3.3Å; C88-R92 WeakPolarHBondContact O-CB 3.47Å; C88-R92 VanDerWaalsContact O-CG 3.25Å; C88-R92 WeakPolarHBondContact O-CG 3.27Å; C88-R92 PolarHBondContact O-N 3.47Å; C88-R92 PolarHBondContact SG-NE 2.98Å; C88-R92 VanDerWaalsContact SG-NE 3.43Å; I89-R92 PolarHBondContact O-N 3.31Å
93	A	61.7	Low	64.8	Low	24 Å²	24	61.5 Å²	61.5	20%	0.198	30%	0.3	C	S	.	.	S	Bend	trans	-65.8	150.5	178.8	0	0	0	0	0	110.5	I89 F95	I89-A93 VanDerWaalsContact O-CB 3.24Å; I89-A93 WeakPolarHBondContact O-CB 3.39Å; I89-A93 PolarHBondContact O-N 3.44Å; A93-F95 HydrophobicContact CB-CD1 4.33Å; A93-F95 HydrophobicContact CB-CD2 3.22Å; A93-F95 HydrophobicContact CB-CE1 4.14Å; A93-F95 HydrophobicContact CB-CE2 3Å; A93-F95 HydrophobicContact CB-CG 3.91Å; A93-F95 HydrophobicContact CB-CZ 3.5Å; A93-F95 PolarHBondContact O-N 3.33Å
94	P	53.6	Low	65.5	Low	108 Å²	108	61.7 Å²	61.7	70%	0.701	30%	0.3	S	S	*	.	S	Bend	trans	-70.4	19.3	-173.1	29.5	-35.8	0	0	0	113.9	K96	P94-K96 PolarHBondContact O-N 2.68Å
95	F	62.6	Low	66	Low	49 Å²	49	56.5 Å²	56.5	22%	0.215	28%	0.279	C	S	.	.			trans	-72.2	93.1	-174.7	-49.5	-46.7	0	0	0	110.7	L90 A93	L90-F95 HydrophobicContact CD2-CD2 4.41Å; L90-F95 HydrophobicContact CD2-CE2 4.34Å; A93-F95 HydrophobicContact CB-CD1 4.33Å; A93-F95 HydrophobicContact CB-CD2 3.22Å; A93-F95 HydrophobicContact CB-CE1 4.14Å; A93-F95 HydrophobicContact CB-CE2 3Å; A93-F95 HydrophobicContact CB-CG 3.91Å; A93-F95 HydrophobicContact CB-CZ 3.5Å; A93-F95 PolarHBondContact O-N 3.33Å
96	K	58.3	Low	66.1	Low	177 Å²	177	60.5 Å²	60.5	77%	0.77	29%	0.294	S	S	*	.			trans	-91.9	-11.6	-176.3	-73.5	-175.3	178.6	-178.4	0	115.1	P94	P94-K96 PolarHBondContact O-N 2.68Å
97	K	64.2	Low	65.8	Low	81 Å²	81	63.6 Å²	63.6	35%	0.352	31%	0.307	S	S	.	.	S	Bend	trans	-102.4	-63.8	-170.6	-69.6	-178.5	175.9	176.3	0	113.6	D137	K97-D137 WeakPolarHBondContact CD-OD2 3.26Å; K97-D137 WeakPolarHBondContact CE-OD2 3.42Å; K97-D137 IonicContact NZ-OD1 3.83Å; K97-D137 IonicContact NZ-OD2 2.65Å; K97-D137 PolarHBondContact NZ-OD2 2.9Å
98	S	67	Low	65.4	Low	2 Å²	2	68.6 Å²	68.6	1%	0.014	33%	0.333	C	S	.	.			trans	-142	131.5	-177.7	-53	0	0	0	0	111.8	H122 G123 T161	S98-H122 CarbonylContact C-O 3.53Å; S98-H122 VanDerWaalsContact CA-O 3.26Å; S98-H122 WeakPolarHBondContact CA-O 3.25Å; S98-G123 PolarHBondContact OG-O 3.48Å; S98-T161 PolarHBondContact O-OG1 2.8Å; S98-T161 VanDerWaalsContact O-OG1 3.13Å
99	W	73.1	Confident	65	Low	29 Å²	29	74.1 Å²	74.1	11%	0.11	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	151.7	169.7	63.6	-88.8	0	0	0	110.5	L87 L90 K91 I120 H122 L159	L87-W99 HydrophobicContact CD1-CH2 4.18Å; L87-W99 HydrophobicContact CD1-CZ3 3.89Å; L90-W99 HydrophobicContact CB-CE3 4.3Å; L90-W99 HydrophobicContact CD1-CE3 4.47Å; L90-W99 HydrophobicContact CD2-CB 4.47Å; K91-W99 HydrophobicContact CG-CH2 4.17Å; K91-W99 HydrophobicContact CG-CZ2 4.42Å; W99-I120 HydrophobicContact CH2-CB 4.29Å; W99-I120 HydrophobicContact CH2-CG2 3.3Å; W99-I120 HydrophobicContact CZ2-CG2 4.15Å; W99-I120 HydrophobicContact CZ3-CB 4.1Å; W99-I120 HydrophobicContact CZ3-CG2 3.55Å; W99-H122 HydrophobicContact CD2-CB 4.18Å; W99-H122 HydrophobicContact CG-CB 4.14Å; W99-H122 HydrophobicContact CZ2-CB 4.39Å; W99-H122 PolarHBondContact N-O 3.34Å; W99-H122 AromaticContact NE1-CG 3.68Å; W99-H122 PolarHBondContact O-N 2.86Å; W99-L159 WeakPolarHBondContact CA-O 3.41Å
100	A	75.1	Confident	64.7	Low	0 Å²	0	76.3 Å²	76.3	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	139.6	177.5	0	0	0	0	0	111.5	L102 I120 L121 V124 C158 L159	A100-L102 HydrophobicContact CB-CD1 3.72Å; A100-I120 CarbonylContact C-O 3.56Å; A100-I120 WeakPolarHBondContact CA-O 3.41Å; A100-L121 HydrophobicContact CB-CD2 3.86Å; A100-V124 HydrophobicContact CB-CB 4.23Å; A100-V124 HydrophobicContact CB-CG1 4.28Å; A100-V124 HydrophobicContact CB-CG2 4.19Å; A100-C158 WeakPolarHBondContact O-CA 3.4Å; A100-L159 HydrophobicContact CB-CB 4.29Å; A100-L159 PolarHBondContact N-O 2.85Å; A100-L159 PolarHBondContact O-N 3.3Å
101	Y	73.2	Confident	64.7	Low	8 Å²	8	83.9 Å²	83.9	3%	0.031	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	111.6	173	-179.7	-94	0	0	0	109.4	S83 L86 L87 L90 Q103 G119 I120 H156	S83-Y101 WeakPolarHBondContact CB-OH 3.29Å; S83-Y101 PolarHBondContact OG-OH 2.84Å; L86-Y101 HydrophobicContact CD2-CE2 4.12Å; L87-Y101 HydrophobicContact CD1-CG 4.36Å; L90-Y101 HydrophobicContact CD1-CD2 4.06Å; Y101-Q103 HydrophobicContact CE1-CG 4.08Å; Y101-G119 WeakPolarHBondContact O-CA 3.28Å; Y101-I120 PolarHBondContact N-O 2.85Å; Y101-I120 PolarHBondContact O-N 3.46Å; Y101-H156 AromaticContact CZ-ND1 3.67Å; Y101-H156 PolarHBondContact OH-CE1 3.43Å; Y101-H156 VanDerWaalsContact OH-CE1 3.25Å; Y101-H156 PolarHBondContact OH-ND1 2.86Å
102	L	74.6	Confident	64.7	Low	1 Å²	1	84.3 Å²	84.3	1%	0.005	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.5	179.8	-67.3	92.5	0	0	0	111.7	A100 W115 L121 Y126 L131 C157	A100-L102 HydrophobicContact CB-CD1 3.72Å; L102-W115 HydrophobicContact CB-CB 4.11Å; L102-W115 HydrophobicContact CB-CD2 4.31Å; L102-W115 HydrophobicContact CB-CE3 3.99Å; L102-W115 HydrophobicContact CB-CG 4.38Å; L102-W115 HydrophobicContact CD2-CB 3.51Å; L102-W115 HydrophobicContact CD2-CG 4.11Å; L102-W115 HydrophobicContact CG-CB 4.45Å; L102-L121 HydrophobicContact CD1-CD2 4.06Å; L102-Y126 HydrophobicContact CD2-CD2 4.07Å; L102-Y126 HydrophobicContact CD2-CE2 4.09Å; L102-L131 HydrophobicContact CD1-CD1 3.75Å; L102-L131 HydrophobicContact CD1-CD2 3.6Å; L102-L131 HydrophobicContact CD1-CG 4.3Å; L102-L131 HydrophobicContact CD2-CD2 3.84Å; L102-L131 HydrophobicContact CG-CD2 4.41Å; L102-C157 PolarHBondContact N-O 3.19Å; L102-C157 VanDerWaalsContact N-O 3.15Å; L102-C157 PolarHBondContact O-N 3.14Å
103	Q	72.9	Confident	64.9	Low	84 Å²	84	80.9 Å²	80.9	39%	0.393	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	147.7	171.2	-62.3	-177	41.5	0	0	109.5	Y101 A105 N116	Y101-Q103 HydrophobicContact CE1-CG 4.08Å; Q103-A105 PolarHBondContact O-N 2.86Å; Q103-N116 PolarHBondContact O-N 3.31Å
104	V	71.4	Confident	65.3	Low	35 Å²	35	81.1 Å²	81.1	21%	0.212	41%	0.407	C	S	.	.	B	Isolated β-bridge	trans	-63.4	127.1	172.2	172.9	0	0	0	0	109.6	K106 L113 W115 G155	V104-K106 PolarHBondContact O-N 3.48Å; V104-L113 HydrophobicContact CB-CD1 4.25Å; V104-L113 HydrophobicContact CG1-CD1 3.57Å; V104-L113 HydrophobicContact CG1-CG 4.34Å; V104-L113 HydrophobicContact CG2-CD1 3.56Å; V104-L113 HydrophobicContact CG2-CD2 3.99Å; V104-L113 HydrophobicContact CG2-CG 3.88Å; V104-W115 HydrophobicContact CG2-CE3 4.17Å; V104-W115 HydrophobicContact CG2-CH2 4.29Å; V104-W115 HydrophobicContact CG2-CZ3 3.6Å; V104-G155 VanDerWaalsContact CG2-O 3.29Å; V104-G155 WeakPolarHBondContact CG2-O 3.45Å; V104-G155 PolarHBondContact N-O 3.3Å; V104-G155 VanDerWaalsContact N-O 3.11Å
105	A	69.4	Low	66.3	Low	20 Å²	20	77.7 Å²	77.7	17%	0.165	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-69.4	129.4	170.4	0	0	0	0	0	108.9	Q103 H107 S114	Q103-A105 PolarHBondContact O-N 2.86Å; A105-H107 VanDerWaalsContact C-N 3.27Å; A105-H107 PolarHBondContact O-N 2.7Å; A105-S114 PolarHBondContact N-O 2.84Å
106	K	62.9	Low	66.8	Low	136 Å²	136	78.3 Å²	78.3	59%	0.591	39%	0.386	S	S	*	.			trans	-71.3	80	-176.8	-160.6	177.7	-174.1	-179.9	0	110.2	V104 S152	V104-K106 PolarHBondContact O-N 3.48Å; K106-S152 WeakPolarHBondContact CE-OG 3.24Å
107	H	58.6	Low	67.3	Low	111 Å²	111	76.9 Å²	76.9	51%	0.514	38%	0.379	S	S	.	.			trans	-112.4	99.1	171.5	-76.6	-62.1	0	0	0	109.6	A105 N109 S114	A105-H107 VanDerWaalsContact C-N 3.27Å; A105-H107 PolarHBondContact O-N 2.7Å; H107-N109 PolarHBondContact O-N 2.85Å; H107-N109 VanDerWaalsContact O-N 3.14Å; H107-S114 PolarHBondContact CD2-OG 3.4Å
108	L	55.4	Low	67.7	Low	138 Å²	138	79.6 Å²	79.6	72%	0.723	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-14.2	-173.7	-74	158.2	0	0	0	114.6
109	N	55.2	Low	67.9	Low	161 Å²	161	80.5 Å²	80.5	86%	0.861	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.5	21.7	-169.5	-68.4	-12.8	0	0	0	114.6	H107	H107-N109 PolarHBondContact O-N 2.85Å; H107-N109 VanDerWaalsContact O-N 3.14Å
110	K	60.6	Low	67.9	Low	141 Å²	141	82.3 Å²	82.3	61%	0.613	42%	0.419	S	S	*	.			trans	-122	132	177.8	-67.8	-175.1	178.9	178	0	110.7	K112	K110-K112 PolarHBondContact O-N 3.28Å
111	T	63	Low	68	Low	162 Å²	162	85.1 Å²	85.1	99%	0.994	43%	0.434	S	S	*	.	S	Bend	trans	-72.1	-20.7	173.6	51.7	0	0	0	0	112.7
112	K	63.5	Low	68.1	Low	144 Å²	144	89.4 Å²	89.4	63%	0.626	45%	0.454	S	S	*	.	S	Bend	trans	-91.8	122.8	176.7	-171.5	177.1	-179.6	-178.3	0	110.1	K110 S114	K110-K112 PolarHBondContact O-N 3.28Å; K112-S114 PolarHBondContact O-N 3.46Å
113	L	66.8	Low	67.9	Low	88 Å²	88	90 Å²	90	46%	0.461	46%	0.461	S	S	.	.			trans	-60.3	125.7	172.1	-158.8	69.8	0	0	0	109.5	V104 W115	V104-L113 HydrophobicContact CB-CD1 4.25Å; V104-L113 HydrophobicContact CG1-CD1 3.57Å; V104-L113 HydrophobicContact CG1-CG 4.34Å; V104-L113 HydrophobicContact CG2-CD1 3.56Å; V104-L113 HydrophobicContact CG2-CD2 3.99Å; V104-L113 HydrophobicContact CG2-CG 3.88Å; L113-W115 HydrophobicContact CD2-CH2 3.22Å; L113-W115 HydrophobicContact CD2-CZ2 3.53Å; L113-W115 HydrophobicContact CD2-CZ3 3.97Å; L113-W115 HydrophobicContact CG-CH2 4.13Å; L113-W115 HydrophobicContact CG-CZ2 4.27Å
114	S	70	Confident	68	Low	29 Å²	29	86.4 Å²	86.4	20%	0.203	44%	0.444	C	S	.	.			trans	-116.3	144	175	54.8	0	0	0	0	109.6	A105 H107 K112	A105-S114 PolarHBondContact N-O 2.84Å; H107-S114 PolarHBondContact CD2-OG 3.4Å; K112-S114 PolarHBondContact O-N 3.46Å
115	W	74.9	Confident	68.4	Low	36 Å²	36	90.8 Å²	90.8	14%	0.136	46%	0.457	C	S	.	.	B	Isolated β-bridge	trans	-98.3	149.7	-178.4	-52.2	106.2	0	0	0	111.4	L102 V104 L113 K117 Y126 L143 C157	L102-W115 HydrophobicContact CB-CB 4.11Å; L102-W115 HydrophobicContact CB-CD2 4.31Å; L102-W115 HydrophobicContact CB-CE3 3.99Å; L102-W115 HydrophobicContact CB-CG 4.38Å; L102-W115 HydrophobicContact CD2-CB 3.51Å; L102-W115 HydrophobicContact CD2-CG 4.11Å; L102-W115 HydrophobicContact CG-CB 4.45Å; V104-W115 HydrophobicContact CG2-CE3 4.17Å; V104-W115 HydrophobicContact CG2-CH2 4.29Å; V104-W115 HydrophobicContact CG2-CZ3 3.6Å; L113-W115 HydrophobicContact CD2-CH2 3.22Å; L113-W115 HydrophobicContact CD2-CZ2 3.53Å; L113-W115 HydrophobicContact CD2-CZ3 3.97Å; L113-W115 HydrophobicContact CG-CH2 4.13Å; L113-W115 HydrophobicContact CG-CZ2 4.27Å; W115-K117 PolarHBondContact O-N 3.44Å; W115-Y126 HydrophobicContact CB-CE2 3.96Å; W115-Y126 PolarHBondContact O-OH 3.13Å; W115-L143 HydrophobicContact CH2-CD1 4.11Å; W115-C157 HydrophobicContact CE3-CB 4.14Å; W115-C157 HydrophobicContact CH2-CB 3.36Å; W115-C157 WeakPolarHBondContact CH2-SG 3.46Å; W115-C157 HydrophobicContact CZ2-CB 3.93Å; W115-C157 WeakPolarHBondContact CZ2-SG 3.39Å; W115-C157 HydrophobicContact CZ3-CB 3.46Å; W115-C157 VanDerWaalsContact CZ3-CB 3.46Å
116	N	72.9	Confident	68.8	Low	61 Å²	61	91.9 Å²	91.9	33%	0.326	46%	0.457	S	S	.	.			trans	-68.8	129	168.6	-171.2	1.6	0	0	0	109.5	Q103 D118 G119	Q103-N116 PolarHBondContact O-N 3.31Å; N116-D118 PolarHBondContact O-N 2.9Å; N116-D118 PolarHBondContact OD1-N 3.46Å; N116-D118 VanDerWaalsContact OD1-N 3.13Å; N116-D118 PolarHBondContact OD1-OD2 3.45Å; N116-G119 PolarHBondContact O-N 2.93Å
117	K	68.4	Low	69.6	Low	147 Å²	147	89.9 Å²	89.9	64%	0.639	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.8	177.5	-67.1	-176.8	179.6	-179	0	112.4	W115 G119 Y126	W115-K117 PolarHBondContact O-N 3.44Å; K117-G119 PolarHBondContact O-N 2.88Å; K117-G119 VanDerWaalsContact O-N 3.13Å; K117-Y126 HydrophobicContact CD-CE1 4.23Å; K117-Y126 HydrophobicContact CG-CD1 4.02Å; K117-Y126 HydrophobicContact CG-CE1 3.6Å
118	D	73.4	Confident	70.4	Confident	138 Å²	138	92 Å²	92	74%	0.738	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	15.9	-179.5	-49.9	-39.2	0	0	0	113.1	N116	N116-D118 PolarHBondContact O-N 2.9Å; N116-D118 PolarHBondContact OD1-N 3.46Å; N116-D118 VanDerWaalsContact OD1-N 3.13Å; N116-D118 PolarHBondContact OD1-OD2 3.45Å
119	G	70.8	Confident	71.2	Confident	22 Å²	22	86.5 Å²	86.5	23%	0.227	44%	0.441	C	S	.	.	S	Bend	trans	-68.6	168	175.3	0	0	0	0	0	113	Y101 N116 K117	Y101-G119 WeakPolarHBondContact O-CA 3.28Å; N116-G119 PolarHBondContact O-N 2.93Å; K117-G119 PolarHBondContact O-N 2.88Å; K117-G119 VanDerWaalsContact O-N 3.13Å
120	I	73.8	Confident	72.1	Confident	66 Å²	66	83 Å²	83	34%	0.338	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.9	179.5	-56	167.8	0	0	0	108.3	L87 W99 A100 Y101	L87-I120 HydrophobicContact CD1-CD1 3.55Å; L87-I120 HydrophobicContact CD2-CD1 3.63Å; L87-I120 HydrophobicContact CG-CD1 4.24Å; W99-I120 HydrophobicContact CH2-CB 4.29Å; W99-I120 HydrophobicContact CH2-CG2 3.3Å; W99-I120 HydrophobicContact CZ2-CG2 4.15Å; W99-I120 HydrophobicContact CZ3-CB 4.1Å; W99-I120 HydrophobicContact CZ3-CG2 3.55Å; A100-I120 CarbonylContact C-O 3.56Å; A100-I120 WeakPolarHBondContact CA-O 3.41Å; Y101-I120 PolarHBondContact N-O 2.85Å; Y101-I120 PolarHBondContact O-N 3.46Å
121	L	76.9	Confident	72.8	Confident	60 Å²	60	78.4 Å²	78.4	31%	0.314	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	126.2	-174.1	-68.5	156	0	0	0	109.3	A100 L102 V124 L131	A100-L121 HydrophobicContact CB-CD2 3.86Å; L102-L121 HydrophobicContact CD1-CD2 4.06Å; L121-V124 HydrophobicContact CD2-CB 4.06Å; L121-V124 HydrophobicContact CD2-CG1 3.96Å; L121-L131 HydrophobicContact CD2-CD2 3.7Å
122	H	75	Confident	73.4	Confident	98 Å²	98	73.9 Å²	73.9	45%	0.454	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	121.9	172.9	-168.9	-73.7	0	0	0	109.1	S98 W99 V124	S98-H122 CarbonylContact C-O 3.53Å; S98-H122 VanDerWaalsContact CA-O 3.26Å; S98-H122 WeakPolarHBondContact CA-O 3.25Å; W99-H122 HydrophobicContact CD2-CB 4.18Å; W99-H122 HydrophobicContact CG-CB 4.14Å; W99-H122 HydrophobicContact CZ2-CB 4.39Å; W99-H122 PolarHBondContact N-O 3.34Å; W99-H122 AromaticContact NE1-CG 3.68Å; W99-H122 PolarHBondContact O-N 2.86Å; H122-V124 PolarHBondContact O-N 2.79Å
123	G	71.5	Confident	73.9	Confident	14 Å²	14	69.7 Å²	69.7	14%	0.144	36%	0.36	C	S	.	.	S	Bend	trans	65.3	5.6	-176	0	0	0	0	0	115	S98 Q134	S98-G123 PolarHBondContact OG-O 3.48Å; G123-Q134 VanDerWaalsContact O-CB 3.3Å; G123-Q134 WeakPolarHBondContact O-CB 3.28Å; G123-Q134 WeakPolarHBondContact O-CG 3.26Å; G123-Q134 PolarHBondContact O-N 3.38Å; G123-Q134 VanDerWaalsContact O-N 3.1Å
124	V	74.3	Confident	74.1	Confident	8 Å²	8	69.8 Å²	69.8	5%	0.048	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.1	179.1	-177.7	0	0	0	0	108.9	A100 L121 H122 L131 L159	A100-V124 HydrophobicContact CB-CB 4.23Å; A100-V124 HydrophobicContact CB-CG1 4.28Å; A100-V124 HydrophobicContact CB-CG2 4.19Å; L121-V124 HydrophobicContact CD2-CB 4.06Å; L121-V124 HydrophobicContact CD2-CG1 3.96Å; H122-V124 PolarHBondContact O-N 2.79Å; V124-L131 HydrophobicContact CG1-CB 3.92Å; V124-L131 HydrophobicContact CG1-CD2 4.01Å; V124-L159 HydrophobicContact CG1-CD2 4.45Å; V124-L159 HydrophobicContact CG2-CD2 4.45Å
125	R	80.4	Confident	73.9	Confident	126 Å²	126	73.5 Å²	73.5	48%	0.475	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.8	178.2	-168.2	-177.7	-58.7	-169.8	3.1	110.5	Q127 V132 Q134	R125-Q127 HydrophobicContact CG-CG 4.04Å; R125-V132 HydrophobicContact CB-CB 4.43Å; R125-V132 PolarHBondContact N-O 3.03Å; R125-V132 PolarHBondContact O-N 3.24Å; R125-Q134 HydrophobicContact CB-CG 4.29Å
126	Y	76.9	Confident	73.1	Confident	44 Å²	44	78 Å²	78	17%	0.173	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	120.7	169.8	-166.1	-97.1	0	0	0	110.2	L102 W115 K117 G129 N130 L131	L102-Y126 HydrophobicContact CD2-CD2 4.07Å; L102-Y126 HydrophobicContact CD2-CE2 4.09Å; W115-Y126 HydrophobicContact CB-CE2 3.96Å; W115-Y126 PolarHBondContact O-OH 3.13Å; K117-Y126 HydrophobicContact CD-CE1 4.23Å; K117-Y126 HydrophobicContact CG-CD1 4.02Å; K117-Y126 HydrophobicContact CG-CE1 3.6Å; Y126-G129 WeakPolarHBondContact OH-CA 3.27Å; Y126-N130 WeakPolarHBondContact CA-O 3.4Å; Y126-L131 HydrophobicContact CD2-CD2 3.93Å
127	Q	80	Confident	72.4	Confident	93 Å²	93	77.7 Å²	77.7	44%	0.435	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	112.8	179.3	-67.2	-77.1	51.2	0	0	109.7	R125 G129 N130 V132	R125-Q127 HydrophobicContact CG-CG 4.04Å; Q127-G129 PolarHBondContact O-N 3.13Å; Q127-G129 VanDerWaalsContact O-N 3.07Å; Q127-N130 PolarHBondContact N-O 3.41Å; Q127-N130 WeakPolarHBondContact O-CB 3.27Å; Q127-N130 PolarHBondContact O-N 3Å; Q127-N130 PolarHBondContact O-ND2 3.07Å; Q127-V132 HydrophobicContact CB-CG2 4.01Å; Q127-V132 HydrophobicContact CG-CG2 4Å
128	D	74.9	Confident	72	Confident	157 Å²	157	78.4 Å²	78.4	84%	0.84	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	36.1	174.2	-61.6	-31.7	0	0	0	116
129	G	72.4	Confident	71.2	Confident	21 Å²	21	74.9 Å²	74.9	22%	0.216	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.3	-4.8	-178.2	0	0	0	0	0	114.9	Y126 Q127	Y126-G129 WeakPolarHBondContact OH-CA 3.27Å; Q127-G129 PolarHBondContact O-N 3.13Å; Q127-G129 VanDerWaalsContact O-N 3.07Å
130	N	74.6	Confident	70.5	Confident	87 Å²	87	74.6 Å²	74.6	47%	0.465	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	148.4	-178.2	-51.1	-60.1	0	0	0	111.2	Y126 Q127	Y126-N130 WeakPolarHBondContact CA-O 3.4Å; Q127-N130 PolarHBondContact N-O 3.41Å; Q127-N130 WeakPolarHBondContact O-CB 3.27Å; Q127-N130 PolarHBondContact O-N 3Å; Q127-N130 PolarHBondContact O-ND2 3.07Å
131	L	75.5	Confident	69.9	Low	46 Å²	46	78.1 Å²	78.1	24%	0.241	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	119.2	172.2	-63.6	169	0	0	0	108.7	L102 L121 V124 Y126 L159	L102-L131 HydrophobicContact CD1-CD1 3.75Å; L102-L131 HydrophobicContact CD1-CD2 3.6Å; L102-L131 HydrophobicContact CD1-CG 4.3Å; L102-L131 HydrophobicContact CD2-CD2 3.84Å; L102-L131 HydrophobicContact CG-CD2 4.41Å; L121-L131 HydrophobicContact CD2-CD2 3.7Å; V124-L131 HydrophobicContact CG1-CB 3.92Å; V124-L131 HydrophobicContact CG1-CD2 4.01Å; Y126-L131 HydrophobicContact CD2-CD2 3.93Å; L131-L159 HydrophobicContact CB-CD2 4.37Å
132	V	75.4	Confident	69.1	Low	67 Å²	67	79.2 Å²	79.2	41%	0.406	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	114.5	-179.6	-176.4	0	0	0	0	108.3	R125 Q127	R125-V132 HydrophobicContact CB-CB 4.43Å; R125-V132 PolarHBondContact N-O 3.03Å; R125-V132 PolarHBondContact O-N 3.24Å; Q127-V132 HydrophobicContact CB-CG2 4.01Å; Q127-V132 HydrophobicContact CG-CG2 4Å
133	I	72.7	Confident	68.3	Low	56 Å²	56	79.7 Å²	79.7	29%	0.287	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	128.5	175.9	-56.1	171.7	0	0	0	108.1	F135 C139 L159 T161	I133-F135 WeakPolarHBondContact CG2-O 3.38Å; I133-C139 HydrophobicContact CD1-CB 3.74Å; I133-L159 HydrophobicContact CD1-CD2 4.14Å; I133-L159 HydrophobicContact CG1-CD2 3.86Å; I133-T161 HydrophobicContact CG2-CG2 4.41Å
134	Q	70.6	Confident	67.6	Low	89 Å²	89	83 Å²	83	42%	0.416	42%	0.424	S	S	.	.	S	Bend	trans	-89.9	-19.2	-176.5	-61.6	-173.9	93.9	0	0	113.3	G123 R125	G123-Q134 VanDerWaalsContact O-CB 3.3Å; G123-Q134 WeakPolarHBondContact O-CB 3.28Å; G123-Q134 WeakPolarHBondContact O-CG 3.26Å; G123-Q134 PolarHBondContact O-N 3.38Å; G123-Q134 VanDerWaalsContact O-N 3.1Å; R125-Q134 HydrophobicContact CB-CG 4.29Å
135	F	67	Low	66.6	Low	107 Å²	107	88.4 Å²	88.4	47%	0.469	45%	0.449	S	S	.	.	S	Bend	trans	-118.4	123.7	-179	-58.5	-76.2	0	0	0	110	I133 D137	I133-F135 WeakPolarHBondContact CG2-O 3.38Å; F135-D137 PolarHBondContact O-N 3.42Å; F135-D137 VanDerWaalsContact O-N 3.1Å
136	P	58.3	Low	64.8	Low	131 Å²	131	83.9 Å²	83.9	85%	0.851	44%	0.436	S	S	*	.			trans	-68.8	109.1	175.6	27.4	-31.5	0	0	0	109.4
137	D	58.3	Low	62.9	Low	54 Å²	54	89.2 Å²	89.2	29%	0.289	46%	0.462	S	S	.	.	S	Bend	trans	-153.2	165.5	172.3	-102.7	-40.3	0	0	0	108.8	K97 F135 C139	K97-D137 WeakPolarHBondContact CD-OD2 3.26Å; K97-D137 WeakPolarHBondContact CE-OD2 3.42Å; K97-D137 IonicContact NZ-OD1 3.83Å; K97-D137 IonicContact NZ-OD2 2.65Å; K97-D137 PolarHBondContact NZ-OD2 2.9Å; F135-D137 PolarHBondContact O-N 3.42Å; F135-D137 VanDerWaalsContact O-N 3.1Å; D137-C139 PolarHBondContact O-N 2.86Å
138	Y	58.5	Low	60.8	Low	163 Å²	163	87.6 Å²	87.6	64%	0.639	46%	0.462	S	S	*	.			trans	-61.2	125.3	176.9	-179.2	-83.6	0	0	0	110.1	T161 L162	Y138-T161 CarbonylContact O-C 3.25Å; Y138-T161 VanDerWaalsContact O-C 3.25Å; Y138-T161 WeakPolarHBondContact O-CA 3.39Å; Y138-T161 WeakPolarHBondContact O-CB 3.31Å; Y138-L162 HydrophobicContact CD1-CB 3.78Å; Y138-L162 HydrophobicContact CD1-CD1 3.94Å; Y138-L162 HydrophobicContact CD1-CG 4.45Å; Y138-L162 HydrophobicContact CE1-CB 4.28Å; Y138-L162 HydrophobicContact CE1-CD1 3.72Å; Y138-L162 PolarHBondContact O-N 3.42Å
139	C	57.5	Low	58.9	Low	64 Å²	64	85.8 Å²	85.8	43%	0.432	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.7	179.8	64.4	0	0	0	0	113	I133 D137 E160 T161	I133-C139 HydrophobicContact CD1-CB 3.74Å; D137-C139 PolarHBondContact O-N 2.86Å; C139-E160 CarbonylContact C-O 3.6Å; C139-E160 WeakPolarHBondContact CA-O 3.34Å; C139-E160 WeakPolarHBondContact CB-O 3.4Å; C139-T161 HydrophobicContact CB-CG2 4.05Å
140	G	56.9	Low	57	Low	15 Å²	15	92.2 Å²	92.2	16%	0.155	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	137.4	163.3	0	0	0	0	0	110.2	E160	G140-E160 CarbonylContact C-O 3.56Å; G140-E160 PolarHBondContact N-O 2.92Å; G140-E160 CarbonylContact O-C 3.37Å; G140-E160 WeakPolarHBondContact O-CA 3.18Å; G140-E160 WeakPolarHBondContact O-CB 3.5Å; G140-E160 PolarHBondContact O-N 2.99Å
141	M	61.3	Low	55.1	Low	141 Å²	141	94.9 Å²	94.9	70%	0.695	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	124.8	175.4	179.3	173.8	41.7	0	0	108.8	L159	M141-L159 HydrophobicContact CB-CD1 3.82Å; M141-L159 HydrophobicContact CG-CD1 4.07Å; M141-L159 HydrophobicContact SD-CD1 4.42Å
142	I	59.4	Low	53.3	Low	82 Å²	82	94.2 Å²	94.2	42%	0.421	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	112.4	177.2	-55.6	176.5	0	0	0	108	C158 E160	I142-C158 HydrophobicContact CB-CB 4.3Å; I142-C158 PolarHBondContact N-O 2.85Å; I142-C158 PolarHBondContact O-N 2.9Å; I142-E160 WeakPolarHBondContact CD1-OE2 3.35Å
143	L	57.5	Low	51.5	Low	108 Å²	108	93.7 Å²	93.7	57%	0.565	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	113.8	170.6	177.8	69.8	0	0	0	108.3	W115 C157	W115-L143 HydrophobicContact CH2-CD1 4.11Å; L143-C157 WeakPolarHBondContact CD1-SG 3Å
144	H	56.9	Low	50.2	Low	83 Å²	83	96.5 Å²	96.5	38%	0.384	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	115.2	173.6	-171.2	-93.9	0	0	0	110	H156	H144-H156 PolarHBondContact N-O 3.45Å; H144-H156 PolarHBondContact O-N 2.92Å; H144-H156 VanDerWaalsContact O-O 3.14Å
145	H	52.8	Low	49.1	Very low	123 Å²	123	92.6 Å²	92.6	57%	0.569	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	96.9	174.9	-175	-89.4	0	0	0	110	H147	H145-H147 AromaticContact CE1-CD2 3.97Å; H145-H147 PolarHBondContact O-N 3.08Å
146	S	44.3	Very low	48.5	Very low	30 Å²	30	88.1 Å²	88.1	21%	0.21	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	113.6	171.3	32.4	0	0	0	0	110.4	S148 K154	S146-S148 PolarHBondContact O-N 3.31Å; S146-K154 PolarHBondContact OG-O 3.2Å
147	H	36.3	Very low	48.1	Very low	156 Å²	156	82.5 Å²	82.5	72%	0.722	44%	0.444	S	S	*	.			trans	-79.2	71.9	173.2	-155	-83.5	0	0	0	109.7	H145 T149	H145-H147 AromaticContact CE1-CD2 3.97Å; H145-H147 PolarHBondContact O-N 3.08Å; H147-T149 PolarHBondContact O-N 3.47Å
148	S	35.7	Very low	47.9	Very low	60 Å²	60	80 Å²	80	42%	0.42	43%	0.431	S	S	.	.			trans	-73.3	105.8	169.9	52.6	0	0	0	0	108.7	S146 L150 S152	S146-S148 PolarHBondContact O-N 3.31Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.04Å; S148-S152 PolarHBondContact OG-O 3.07Å
149	T	34.3	Very low	47.7	Very low	118 Å²	118	73.2 Å²	73.2	72%	0.724	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	89	169.7	46.6	0	0	0	0	109.5	H147	H147-T149 PolarHBondContact O-N 3.47Å
150	L	32.8	Very low	47.4	Very low	156 Å²	156	71.6 Å²	71.6	82%	0.817	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	172	87.3	157.7	-94.7	159.9	0	0	0	106.7	S148 S152	S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.04Å; L150-S152 PolarHBondContact O-N 2.81Å
151	D	35.1	Very low	46.7	Very low	143 Å²	143	71.1 Å²	71.1	77%	0.765	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	23.2	155.6	-154.9	38.1	0	0	0	119.4
152	S	37	Very low	45.7	Very low	33 Å²	33	68.2 Å²	68.2	23%	0.231	37%	0.372	C	S	.	.			trans	-160.7	89.3	176.2	-167.4	0	0	0	0	109.4	K106 S148 L150 K154	K106-S152 WeakPolarHBondContact CE-OG 3.24Å; S148-S152 PolarHBondContact OG-O 3.07Å; L150-S152 PolarHBondContact O-N 2.81Å; S152-K154 PolarHBondContact O-N 3.28Å
153	G	37.8	Very low	44.8	Very low	55 Å²	55	69.1 Å²	69.1	57%	0.567	38%	0.375	S	S	*	.			trans	-59	98.5	170.7	0	0	0	0	0	110.3	G155	G153-G155 PolarHBondContact O-N 2.78Å
154	K	46	Very low	43.9	Very low	116 Å²	116	73 Å²	73	50%	0.504	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	91	171.5	-70.9	-176.7	178.7	179.2	0	107.3	S146 S152	S146-K154 PolarHBondContact OG-O 3.2Å; S152-K154 PolarHBondContact O-N 3.28Å
155	G	48	Very low	43.3	Very low	6 Å²	6	72.6 Å²	72.6	6%	0.062	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	140.3	165.7	0	0	0	0	0	109.9	V104 G153	V104-G155 VanDerWaalsContact CG2-O 3.29Å; V104-G155 WeakPolarHBondContact CG2-O 3.45Å; V104-G155 PolarHBondContact N-O 3.3Å; V104-G155 VanDerWaalsContact N-O 3.11Å; G153-G155 PolarHBondContact O-N 2.78Å
156	H	53.1	Low	42.8	Very low	14 Å²	14	69.9 Å²	69.9	7%	0.065	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	132.3	177.7	-64.1	-83.6	0	0	0	109.1	Y101 H144	Y101-H156 AromaticContact CZ-ND1 3.67Å; Y101-H156 PolarHBondContact OH-CE1 3.43Å; Y101-H156 VanDerWaalsContact OH-CE1 3.25Å; Y101-H156 PolarHBondContact OH-ND1 2.86Å; H144-H156 PolarHBondContact N-O 3.45Å; H144-H156 PolarHBondContact O-N 2.92Å; H144-H156 VanDerWaalsContact O-O 3.14Å
157	C	51.1	Low	42.7	Very low	12 Å²	12	72.1 Å²	72.1	8%	0.081	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.1	173.5	-110.2	0	0	0	0	110.9	L102 W115 L143	L102-C157 PolarHBondContact N-O 3.19Å; L102-C157 VanDerWaalsContact N-O 3.15Å; L102-C157 PolarHBondContact O-N 3.14Å; W115-C157 HydrophobicContact CE3-CB 4.14Å; W115-C157 HydrophobicContact CH2-CB 3.36Å; W115-C157 WeakPolarHBondContact CH2-SG 3.46Å; W115-C157 HydrophobicContact CZ2-CB 3.93Å; W115-C157 WeakPolarHBondContact CZ2-SG 3.39Å; W115-C157 HydrophobicContact CZ3-CB 3.46Å; W115-C157 VanDerWaalsContact CZ3-CB 3.46Å; L143-C157 WeakPolarHBondContact CD1-SG 3Å
158	C	53.4	Low	43	Very low	2 Å²	2	67.2 Å²	67.2	1%	0.014	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.4	169.7	-67.4	0	0	0	0	108.7	L86 L90 A100 I142	L86-C158 WeakPolarHBondContact CD2-SG 3.49Å; L90-C158 HydrophobicContact CD1-CB 4.43Å; A100-C158 WeakPolarHBondContact O-CA 3.4Å; I142-C158 HydrophobicContact CB-CB 4.3Å; I142-C158 PolarHBondContact N-O 2.85Å; I142-C158 PolarHBondContact O-N 2.9Å
159	L	53.7	Low	43.5	Very low	21 Å²	21	67.6 Å²	67.6	11%	0.11	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.3	170.6	-170.4	71.3	0	0	0	107.6	W99 A100 V124 L131 I133 M141	W99-L159 WeakPolarHBondContact CA-O 3.41Å; A100-L159 HydrophobicContact CB-CB 4.29Å; A100-L159 PolarHBondContact N-O 2.85Å; A100-L159 PolarHBondContact O-N 3.3Å; V124-L159 HydrophobicContact CG1-CD2 4.45Å; V124-L159 HydrophobicContact CG2-CD2 4.45Å; L131-L159 HydrophobicContact CB-CD2 4.37Å; I133-L159 HydrophobicContact CD1-CD2 4.14Å; I133-L159 HydrophobicContact CG1-CD2 3.86Å; M141-L159 HydrophobicContact CB-CD1 3.82Å; M141-L159 HydrophobicContact CG-CD1 4.07Å; M141-L159 HydrophobicContact SD-CD1 4.42Å
160	E	51.3	Low	44.1	Very low	29 Å²	29	64.3 Å²	64.3	14%	0.136	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.9	-174.1	-59.1	179	152.8	0	0	108.6	L90 C139 G140 I142	L90-E160 HydrophobicContact CD2-CG 4.06Å; C139-E160 CarbonylContact C-O 3.6Å; C139-E160 WeakPolarHBondContact CA-O 3.34Å; C139-E160 WeakPolarHBondContact CB-O 3.4Å; G140-E160 CarbonylContact C-O 3.56Å; G140-E160 PolarHBondContact N-O 2.92Å; G140-E160 CarbonylContact O-C 3.37Å; G140-E160 WeakPolarHBondContact O-CA 3.18Å; G140-E160 WeakPolarHBondContact O-CB 3.5Å; G140-E160 PolarHBondContact O-N 2.99Å; I142-E160 WeakPolarHBondContact CD1-OE2 3.35Å
161	T	43.1	Very low	44.9	Very low	5 Å²	5	57.7 Å²	57.7	3%	0.031	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	114.5	164.2	54	0	0	0	0	109.2	S98 I133 Y138 C139	S98-T161 PolarHBondContact O-OG1 2.8Å; S98-T161 VanDerWaalsContact O-OG1 3.13Å; I133-T161 HydrophobicContact CG2-CG2 4.41Å; Y138-T161 CarbonylContact O-C 3.25Å; Y138-T161 VanDerWaalsContact O-C 3.25Å; Y138-T161 WeakPolarHBondContact O-CA 3.39Å; Y138-T161 WeakPolarHBondContact O-CB 3.31Å; C139-T161 HydrophobicContact CB-CG2 4.05Å
162	L	40.5	Very low	45.7	Very low	80 Å²	80	51.2 Å²	51.2	42%	0.419	30%	0.302	S	S	.	.			trans	-77.4	133.4	173.2	-71	100.6	0	0	0	109.4	Y138	Y138-L162 HydrophobicContact CD1-CB 3.78Å; Y138-L162 HydrophobicContact CD1-CD1 3.94Å; Y138-L162 HydrophobicContact CD1-CG 4.45Å; Y138-L162 HydrophobicContact CE1-CB 4.28Å; Y138-L162 HydrophobicContact CE1-CD1 3.72Å; Y138-L162 PolarHBondContact O-N 3.42Å
163	Q	39.7	Very low	46.4	Very low	102 Å²	102	52.7 Å²	52.7	48%	0.477	31%	0.308	S	S	.	.			trans	-87.8	145	162.4	-72.2	-178.2	-98.5	0	0	109
164	P	39.3	Very low	47.2	Very low	190 Å²	190	52.5 Å²	52.5	100%	1.234	29%	0.285	S	S	*	.			trans	-65.8	0	169.6	29.1	-33.8	0	0	0	112.3

Retrieved 164 of 164 residues in 30 ms (Link to these results)

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