A0A087XWY1_POEFO Loading...

SIVA1, apoptosis-inducing factor

AlphaFold DB , UniProt , Accession A0A087XWY1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 168 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	53.3	Low	69.5	Low	230 Å²	230	153.6 Å²	153.6	100%	1.133	79%	0.786	S	S	*	*				0	124.9	0	-68.7	-179.1	85.4	0	0	108.7	K3	M1-K3 PolarHBondContact O-N 3.39Å
2	P	64.3	Low	69	Low	132 Å²	132	154.7 Å²	154.7	86%	0.857	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-64.2	128.1	174	-13.1	27.3	0	0	0	109.2	R4	P2-R4 PolarHBondContact O-N 3.24Å
3	K	74.8	Confident	68.6	Low	206 Å²	206	151.2 Å²	151.2	90%	0.896	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-64.9	133.4	173	-72.7	-169.1	178	-177.1	0	108.3	M1	M1-K3 PolarHBondContact O-N 3.39Å
4	R	78.8	Confident	68.5	Low	243 Å²	243	145.7 Å²	145.7	92%	0.917	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-59.7	138.4	178.4	-64.5	-178.9	-178.2	171.8	0.1	109.7	P2	P2-R4 PolarHBondContact O-N 3.24Å
5	T	73.8	Confident	68.6	Low	134 Å²	134	148.9 Å²	148.9	82%	0.822	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-59.9	135.5	174.9	-37.7	0	0	0	0	109.6
6	Y	70.4	Confident	68.9	Low	127 Å²	127	151.3 Å²	151.3	50%	0.498	77%	0.769	S	S	.	*	P	Polyproline II helix	trans	-55.7	124.3	-177.3	178.3	-105.9	0	0	0	110.7	F8 F12	Y6-F8 VanDerWaalsContact C-N 3.33Å; Y6-F8 HydrophobicContact CD1-CB 4.33Å; Y6-F8 VanDerWaalsContact CD1-O 3.27Å; Y6-F8 WeakPolarHBondContact CD1-O 3.5Å; Y6-F8 HydrophobicContact CE1-CB 3.63Å; Y6-F8 HydrophobicContact CE1-CD2 4.16Å; Y6-F8 HydrophobicContact CE1-CG 4.41Å; Y6-F8 VanDerWaalsContact CE1-O 3.25Å; Y6-F8 WeakPolarHBondContact CE1-O 3.49Å; Y6-F8 AromaticContact CE2-CD2 3.84Å; Y6-F8 HydrophobicContact CE2-CD2 3.84Å; Y6-F8 AromaticContact CZ-CD2 3.62Å; Y6-F8 PolarHBondContact O-N 3.42Å; Y6-F12 WeakPolarHBondContact OH-CD2 3.33Å; Y6-F12 WeakPolarHBondContact OH-CE2 3.43Å
7	P	74.3	Confident	69.7	Low	103 Å²	103	154.9 Å²	154.9	67%	0.669	78%	0.778	S	S	*	*	S	Bend	trans	-83.1	-0.4	-164.7	31.9	-36.1	0	0	0	115.1
8	F	74.1	Confident	70.5	Confident	125 Å²	125	153.6 Å²	153.6	55%	0.548	77%	0.772	S	S	.	*			trans	-106.8	122.4	-179	-54.2	-76.7	0	0	0	110.2	Y6	Y6-F8 VanDerWaalsContact C-N 3.33Å; Y6-F8 HydrophobicContact CD1-CB 4.33Å; Y6-F8 VanDerWaalsContact CD1-O 3.27Å; Y6-F8 WeakPolarHBondContact CD1-O 3.5Å; Y6-F8 HydrophobicContact CE1-CB 3.63Å; Y6-F8 HydrophobicContact CE1-CD2 4.16Å; Y6-F8 HydrophobicContact CE1-CG 4.41Å; Y6-F8 VanDerWaalsContact CE1-O 3.25Å; Y6-F8 WeakPolarHBondContact CE1-O 3.49Å; Y6-F8 AromaticContact CE2-CD2 3.84Å; Y6-F8 HydrophobicContact CE2-CD2 3.84Å; Y6-F8 AromaticContact CZ-CD2 3.62Å; Y6-F8 PolarHBondContact O-N 3.42Å
9	P	67.4	Low	71.5	Confident	122 Å²	122	154.5 Å²	154.5	79%	0.792	77%	0.773	S	S	*	*	S	Bend	trans	-77.5	-26.8	-178.6	30.1	-33.7	0	0	0	112.9
10	E	66.8	Low	72.5	Confident	153 Å²	153	152.1 Å²	152.1	72%	0.715	76%	0.762	S	S	*	*	S	Bend	trans	-90	122.5	171.4	-75.3	104.7	-164.3	0	0	111	F12	E10-F12 PolarHBondContact O-N 3.21Å; E10-F12 VanDerWaalsContact O-N 3.12Å
11	S	66.9	Low	73.4	Confident	115 Å²	115	145.5 Å²	145.5	80%	0.804	73%	0.733	S	S	*	*			trans	-52.2	116.1	155.6	36.6	0	0	0	0	108.4
12	F	63.1	Low	75.2	Confident	166 Å²	166	140.3 Å²	140.3	73%	0.728	71%	0.706	S	S	*	*			trans	-22.7	131.1	178.2	-77.4	-89.2	0	0	0	113.6	Y6 E10 S14	Y6-F12 WeakPolarHBondContact OH-CD2 3.33Å; Y6-F12 WeakPolarHBondContact OH-CE2 3.43Å; E10-F12 PolarHBondContact O-N 3.21Å; E10-F12 VanDerWaalsContact O-N 3.12Å; F12-S14 PolarHBondContact O-N 2.98Å
13	S	63.8	Low	76.5	Confident	110 Å²	110	143.5 Å²	143.5	77%	0.769	70%	0.7	S	S	*	*			trans	-55.1	121.1	169.6	99.6	0	0	0	0	107.7	Q15	S13-Q15 PolarHBondContact O-N 2.95Å
14	S	66.8	Low	77.3	Confident	74 Å²	74	138 Å²	138	52%	0.517	68%	0.678	S	S	.	*			trans	-54.6	103.5	177.1	-50.9	0	0	0	0	107.9	F12 Y16	F12-S14 PolarHBondContact O-N 2.98Å; S14-Y16 VanDerWaalsContact C-N 3.28Å; S14-Y16 WeakPolarHBondContact O-CD2 3.25Å; S14-Y16 WeakPolarHBondContact O-CE2 3.25Å; S14-Y16 PolarHBondContact O-N 3.24Å
15	Q	70.3	Confident	78	Confident	193 Å²	193	129.3 Å²	129.3	90%	0.902	65%	0.649	S	S	*	*			trans	-73.8	93.2	177.4	-154.6	174.7	52.3	0	0	106.3	S13 K17	S13-Q15 PolarHBondContact O-N 2.95Å; Q15-K17 PolarHBondContact O-N 2.76Å
16	Y	74.2	Confident	78.8	Confident	187 Å²	187	124 Å²	124	73%	0.733	62%	0.615	S	S	*	*			trans	-69.7	116.7	-176.9	-65.7	-78.3	0	0	0	109.4	S14 I18	S14-Y16 VanDerWaalsContact C-N 3.28Å; S14-Y16 WeakPolarHBondContact O-CD2 3.25Å; S14-Y16 WeakPolarHBondContact O-CE2 3.25Å; S14-Y16 PolarHBondContact O-N 3.24Å; Y16-I18 PolarHBondContact O-N 3.37Å
17	K	81.6	Confident	79.8	Confident	213 Å²	213	120.5 Å²	120.5	93%	0.926	61%	0.61	S	S	*	*			trans	-76.6	108.2	167.6	-173.9	178	179.4	-179.3	0	108.2	Q15	Q15-K17 PolarHBondContact O-N 2.76Å
18	I	83.6	Confident	80.5	Confident	131 Å²	131	125.2 Å²	125.2	67%	0.672	62%	0.616	S	S	*	*			trans	-100.5	134	176.1	-56.5	170.9	0	0	0	108.2	Y16 I20	Y16-I18 PolarHBondContact O-N 3.37Å; I18-I20 PolarHBondContact O-N 2.89Å
19	H	89.9	Confident	81.3	Confident	171 Å²	171	120.7 Å²	120.7	79%	0.792	60%	0.604	S	S	*	*			trans	-74.4	121.2	171.7	174.8	-90.5	0	0	0	109.6
20	I	91.1	Very high	82.5	Confident	107 Å²	107	121.8 Å²	121.8	55%	0.549	61%	0.608	S	S	.	*			trans	-103.5	115.5	174.8	-54.1	-179.9	0	0	0	107.4	I18 E24 I25	I18-I20 PolarHBondContact O-N 2.89Å; I20-E24 HydrophobicContact CG2-CB 3.64Å; I20-I25 HydrophobicContact CG2-CG1 3.82Å
21	G	92.1	Very high	83.7	Confident	14 Å²	14	120 Å²	120	14%	0.144	60%	0.598	C	S	.	*			trans	-78.7	169.5	178.1	0	0	0	0	0	112.7	R23 E24 I25	G21-R23 PolarHBondContact O-N 3.47Å; G21-E24 WeakPolarHBondContact CA-OE2 3.42Å; G21-E24 PolarHBondContact N-OE2 3.02Å; G21-E24 PolarHBondContact O-N 2.91Å; G21-I25 WeakPolarHBondContact O-CG1 3.35Å; G21-I25 PolarHBondContact O-N 3.4Å; G21-I25 VanDerWaalsContact O-N 3.11Å
22	Q	91.1	Very high	84.9	Confident	121 Å²	121	114.7 Å²	114.7	57%	0.565	56%	0.562	S	S	*	*	H	α-helix	trans	-61.8	-32.5	-179.7	-168.4	61.7	48.7	0	0	112.2	I25 N26	Q22-I25 PolarHBondContact O-N 3.39Å; Q22-N26 PolarHBondContact NE2-OD1 3.38Å; Q22-N26 WeakPolarHBondContact O-CB 3.4Å; Q22-N26 PolarHBondContact O-N 3.37Å; Q22-N26 PolarHBondContact O-ND2 3.47Å; Q22-N26 PolarHBondContact O-OD1 3.37Å
23	R	91.3	Very high	86.4	Confident	199 Å²	199	111.8 Å²	111.8	75%	0.751	55%	0.554	S	S	*	*	H	α-helix	trans	-64.8	-43.4	178.8	-174	-178.9	-179.8	-173.5	0.2	111.1	G21 N26 S27	G21-R23 PolarHBondContact O-N 3.47Å; R23-N26 PolarHBondContact O-N 2.95Å; R23-S27 VanDerWaalsContact O-CB 3.3Å; R23-S27 WeakPolarHBondContact O-CB 3.5Å; R23-S27 PolarHBondContact O-N 3.32Å; R23-S27 PolarHBondContact O-OG 3.22Å
24	E	93	Very high	87.9	Confident	90 Å²	90	112.7 Å²	112.7	42%	0.421	54%	0.544	S	S	.	.	H	α-helix	trans	-65.5	-42.7	178	-64.7	75.3	-165.7	0	0	110.4	I20 G21 N26 S27 Y28 G29	I20-E24 HydrophobicContact CG2-CB 3.64Å; G21-E24 WeakPolarHBondContact CA-OE2 3.42Å; G21-E24 PolarHBondContact N-OE2 3.02Å; G21-E24 PolarHBondContact O-N 2.91Å; E24-N26 VanDerWaalsContact C-N 3.34Å; E24-N26 PolarHBondContact O-N 2.88Å; E24-S27 PolarHBondContact O-N 3.44Å; E24-Y28 PolarHBondContact O-N 2.9Å; E24-G29 PolarHBondContact O-N 3.2Å
25	I	92	Very high	89.3	Confident	60 Å²	60	113.2 Å²	113.2	31%	0.308	54%	0.535	S	S	.	.	H	α-helix	trans	-60	-44.6	175.1	-64.6	167.1	0	0	0	110.9	I20 G21 Q22 S27 G29 Y35	I20-I25 HydrophobicContact CG2-CG1 3.82Å; G21-I25 WeakPolarHBondContact O-CG1 3.35Å; G21-I25 PolarHBondContact O-N 3.4Å; G21-I25 VanDerWaalsContact O-N 3.11Å; Q22-I25 PolarHBondContact O-N 3.39Å; I25-S27 VanDerWaalsContact C-N 3.34Å; I25-S27 PolarHBondContact O-N 2.9Å; I25-G29 WeakPolarHBondContact O-CA 3.4Å; I25-G29 PolarHBondContact O-N 2.88Å; I25-Y35 HydrophobicContact CG2-CD2 4.37Å; I25-Y35 HydrophobicContact CG2-CE2 4.12Å
26	N	91.9	Very high	90.4	Very high	22 Å²	22	110 Å²	110	12%	0.118	52%	0.515	C	S	.	.	H	α-helix	trans	-71.2	-30	-179.1	-63.9	-14.4	0	0	0	112.7	Q22 R23 E24 G32 R36 I39	Q22-N26 PolarHBondContact NE2-OD1 3.38Å; Q22-N26 WeakPolarHBondContact O-CB 3.4Å; Q22-N26 PolarHBondContact O-N 3.37Å; Q22-N26 PolarHBondContact O-ND2 3.47Å; Q22-N26 PolarHBondContact O-OD1 3.37Å; R23-N26 PolarHBondContact O-N 2.95Å; E24-N26 VanDerWaalsContact C-N 3.34Å; E24-N26 PolarHBondContact O-N 2.88Å; N26-G32 CarbonylContact O-C 3.46Å; N26-G32 WeakPolarHBondContact O-CA 3.05Å; N26-G32 VanDerWaalsContact O-O 3.13Å; N26-R36 WeakPolarHBondContact O-CG 3.37Å; N26-I39 VanDerWaalsContact ND2-CD1 3.28Å; N26-I39 WeakPolarHBondContact ND2-CD1 3.41Å
27	S	89.9	Confident	91.5	Very high	55 Å²	55	106.8 Å²	106.8	39%	0.385	51%	0.506	S	S	.	.	H	α-helix	trans	-90.4	-42.5	-174.4	-52.9	0	0	0	0	112.5	R23 E24 I25	R23-S27 VanDerWaalsContact O-CB 3.3Å; R23-S27 WeakPolarHBondContact O-CB 3.5Å; R23-S27 PolarHBondContact O-N 3.32Å; R23-S27 PolarHBondContact O-OG 3.22Å; E24-S27 PolarHBondContact O-N 3.44Å; I25-S27 VanDerWaalsContact C-N 3.34Å; I25-S27 PolarHBondContact O-N 2.9Å
28	Y	90.2	Very high	92.1	Very high	202 Å²	202	102.3 Å²	102.3	79%	0.792	49%	0.489	S	S	*	.	H	α-helix	trans	-121.7	-6.7	-170.2	-52.5	-69.4	0	0	0	113.6	E24	E24-Y28 PolarHBondContact O-N 2.9Å
29	G	90.5	Very high	92.7	Very high	30 Å²	30	100 Å²	100	31%	0.309	48%	0.477	S	S	.	.	S	Bend	trans	-67.9	155.7	175.3	0	0	0	0	0	112.2	E24 I25 F31 G32	E24-G29 PolarHBondContact O-N 3.2Å; I25-G29 WeakPolarHBondContact O-CA 3.4Å; I25-G29 PolarHBondContact O-N 2.88Å; G29-F31 PolarHBondContact O-N 3.17Å; G29-F31 VanDerWaalsContact O-N 3.15Å; G29-G32 WeakPolarHBondContact O-CA 3.49Å; G29-G32 PolarHBondContact O-N 3.18Å
30	V	92.9	Very high	93	Very high	144 Å²	144	98.6 Å²	98.6	87%	0.873	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-36.4	-179.8	-179.4	0	0	0	0	112.2
31	F	91.9	Very high	93.4	Very high	116 Å²	116	97 Å²	97	51%	0.509	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	13.6	176.4	-66.5	-69.6	0	0	0	114.1	G29 N33 K34 Y35	G29-F31 PolarHBondContact O-N 3.17Å; G29-F31 VanDerWaalsContact O-N 3.15Å; F31-N33 PolarHBondContact O-N 2.99Å; F31-N33 VanDerWaalsContact O-N 3.11Å; F31-K34 HydrophobicContact CD1-CD 4.16Å; F31-K34 PolarHBondContact O-N 2.96Å; F31-Y35 HydrophobicContact CB-CD2 4.19Å; F31-Y35 HydrophobicContact CB-CE2 3.67Å; F31-Y35 WeakPolarHBondContact O-CD2 3.37Å; F31-Y35 PolarHBondContact O-N 3.18Å
32	G	92.9	Very high	93.6	Very high	3 Å²	3	104 Å²	104	3%	0.031	48%	0.482	C	S	.	.	H	α-helix	trans	-54.9	-36.1	-173.8	0	0	0	0	0	113.6	N26 G29 K34 Y35 R36	N26-G32 CarbonylContact O-C 3.46Å; N26-G32 WeakPolarHBondContact O-CA 3.05Å; N26-G32 VanDerWaalsContact O-O 3.13Å; G29-G32 WeakPolarHBondContact O-CA 3.49Å; G29-G32 PolarHBondContact O-N 3.18Å; G32-K34 PolarHBondContact O-N 3.47Å; G32-Y35 PolarHBondContact O-N 3.14Å; G32-R36 WeakPolarHBondContact O-CB 3.46Å; G32-R36 VanDerWaalsContact O-CG 3.3Å; G32-R36 WeakPolarHBondContact O-CG 3.49Å; G32-R36 PolarHBondContact O-N 3.35Å
33	N	94.1	Very high	93.9	Very high	106 Å²	106	101.5 Å²	101.5	57%	0.567	48%	0.475	S	S	*	.	H	α-helix	trans	-62.1	-43.7	176.6	-162.9	16.3	0	0	0	113	F31 R36 Q37	F31-N33 PolarHBondContact O-N 2.99Å; F31-N33 VanDerWaalsContact O-N 3.11Å; N33-R36 PolarHBondContact O-N 3.11Å; N33-R36 PolarHBondContact OD1-NH2 3.14Å; N33-Q37 PolarHBondContact O-N 3.41Å
34	K	95.4	Very high	94.2	Very high	129 Å²	129	95.6 Å²	95.6	56%	0.561	46%	0.455	S	S	*	.	H	α-helix	trans	-63	-47.5	177.1	-68.8	-171.2	178.2	-177.8	0	111	F31 G32 R36 Q37 E38	F31-K34 HydrophobicContact CD1-CD 4.16Å; F31-K34 PolarHBondContact O-N 2.96Å; G32-K34 PolarHBondContact O-N 3.47Å; K34-R36 PolarHBondContact O-N 2.99Å; K34-Q37 WeakPolarHBondContact O-CB 3.48Å; K34-Q37 PolarHBondContact O-N 3.46Å; K34-Q37 VanDerWaalsContact O-N 3.14Å; K34-E38 WeakPolarHBondContact O-CG 3.46Å; K34-E38 PolarHBondContact O-N 3.07Å
35	Y	94.7	Very high	94.4	Very high	85 Å²	85	95.3 Å²	95.3	33%	0.333	46%	0.456	S	S	.	.	H	α-helix	trans	-63.1	-40.1	179.8	-61.9	-44.6	0	0	0	112.9	I25 F31 G32 Q37 E38 I39	I25-Y35 HydrophobicContact CG2-CD2 4.37Å; I25-Y35 HydrophobicContact CG2-CE2 4.12Å; F31-Y35 HydrophobicContact CB-CD2 4.19Å; F31-Y35 HydrophobicContact CB-CE2 3.67Å; F31-Y35 WeakPolarHBondContact O-CD2 3.37Å; F31-Y35 PolarHBondContact O-N 3.18Å; G32-Y35 PolarHBondContact O-N 3.14Å; Y35-Q37 VanDerWaalsContact C-N 3.31Å; Y35-Q37 PolarHBondContact O-N 3.45Å; Y35-E38 PolarHBondContact O-N 3.44Å; Y35-I39 WeakPolarHBondContact O-CB 3.37Å; Y35-I39 WeakPolarHBondContact O-CD1 3.3Å; Y35-I39 VanDerWaalsContact O-CG1 3.23Å; Y35-I39 WeakPolarHBondContact O-CG1 3.33Å; Y35-I39 PolarHBondContact O-N 3.5Å
36	R	94.1	Very high	94.7	Very high	125 Å²	125	98.5 Å²	98.5	47%	0.472	47%	0.474	S	S	.	.	H	α-helix	trans	-63.1	-39.3	174.8	-72.5	-175.2	-58.9	98	0.5	111.8	N26 G32 N33 K34 I39 Y40	N26-R36 WeakPolarHBondContact O-CG 3.37Å; G32-R36 WeakPolarHBondContact O-CB 3.46Å; G32-R36 VanDerWaalsContact O-CG 3.3Å; G32-R36 WeakPolarHBondContact O-CG 3.49Å; G32-R36 PolarHBondContact O-N 3.35Å; N33-R36 PolarHBondContact O-N 3.11Å; N33-R36 PolarHBondContact OD1-NH2 3.14Å; K34-R36 PolarHBondContact O-N 2.99Å; R36-I39 PolarHBondContact O-N 3.46Å; R36-Y40 WeakPolarHBondContact O-CB 3.24Å; R36-Y40 PolarHBondContact O-N 2.92Å
37	Q	96.5	Very high	94.9	Very high	119 Å²	119	103.2 Å²	103.2	56%	0.556	50%	0.498	S	S	*	.	H	α-helix	trans	-65.6	-43.4	176.9	-169.2	172.7	3.6	0	0	111.7	N33 K34 Y35 I39 Y40 E41	N33-Q37 PolarHBondContact O-N 3.41Å; K34-Q37 WeakPolarHBondContact O-CB 3.48Å; K34-Q37 PolarHBondContact O-N 3.46Å; K34-Q37 VanDerWaalsContact O-N 3.14Å; Y35-Q37 VanDerWaalsContact C-N 3.31Å; Y35-Q37 PolarHBondContact O-N 3.45Å; Q37-I39 PolarHBondContact O-N 3.27Å; Q37-Y40 WeakPolarHBondContact O-CB 3.47Å; Q37-Y40 PolarHBondContact O-N 3.48Å; Q37-E41 WeakPolarHBondContact O-CG 3.39Å; Q37-E41 PolarHBondContact O-N 3.38Å
38	E	95.9	Very high	95.2	Very high	120 Å²	120	107.1 Å²	107.1	56%	0.561	51%	0.508	S	S	*	.	H	α-helix	trans	-61.2	-43.4	174.9	-71.7	171.9	-168.6	0	0	112.3	K34 Y35 Y40 E41 K42	K34-E38 WeakPolarHBondContact O-CG 3.46Å; K34-E38 PolarHBondContact O-N 3.07Å; Y35-E38 PolarHBondContact O-N 3.44Å; E38-Y40 VanDerWaalsContact C-N 3.33Å; E38-Y40 PolarHBondContact O-N 2.97Å; E38-E41 PolarHBondContact O-N 3.04Å; E38-K42 VanDerWaalsContact O-CB 3.29Å; E38-K42 WeakPolarHBondContact O-CB 3.29Å; E38-K42 PolarHBondContact O-N 2.93Å
39	I	95.3	Very high	95.4	Very high	81 Å²	81	102.5 Å²	102.5	42%	0.415	50%	0.497	S	S	.	.	H	α-helix	trans	-62.5	-43.7	176.5	-69.9	165.3	0	0	0	110.5	N26 Y35 R36 Q37 K42 T43	N26-I39 VanDerWaalsContact ND2-CD1 3.28Å; N26-I39 WeakPolarHBondContact ND2-CD1 3.41Å; Y35-I39 WeakPolarHBondContact O-CB 3.37Å; Y35-I39 WeakPolarHBondContact O-CD1 3.3Å; Y35-I39 VanDerWaalsContact O-CG1 3.23Å; Y35-I39 WeakPolarHBondContact O-CG1 3.33Å; Y35-I39 PolarHBondContact O-N 3.5Å; R36-I39 PolarHBondContact O-N 3.46Å; Q37-I39 PolarHBondContact O-N 3.27Å; I39-K42 PolarHBondContact O-N 2.91Å; I39-T43 WeakPolarHBondContact O-CB 3.5Å; I39-T43 PolarHBondContact O-N 2.72Å; I39-T43 PolarHBondContact O-OG1 2.83Å
40	Y	96.8	Very high	95.6	Very high	143 Å²	143	102.9 Å²	102.9	56%	0.561	50%	0.501	S	S	*	.	H	α-helix	trans	-59.6	-52.4	177.2	175.3	-95.2	0	0	0	111.2	R36 Q37 E38 K42 T43 K44	R36-Y40 WeakPolarHBondContact O-CB 3.24Å; R36-Y40 PolarHBondContact O-N 2.92Å; Q37-Y40 WeakPolarHBondContact O-CB 3.47Å; Q37-Y40 PolarHBondContact O-N 3.48Å; E38-Y40 VanDerWaalsContact C-N 3.33Å; E38-Y40 PolarHBondContact O-N 2.97Å; Y40-K42 VanDerWaalsContact C-N 3.34Å; Y40-K42 PolarHBondContact O-N 3.47Å; Y40-T43 PolarHBondContact O-N 3.21Å; Y40-K44 HydrophobicContact CE1-CD 3.98Å; Y40-K44 VanDerWaalsContact O-CB 3.25Å; Y40-K44 WeakPolarHBondContact O-CB 3.48Å; Y40-K44 PolarHBondContact O-N 2.91Å
41	E	98.1	Very high	95.5	Very high	72 Å²	72	98.5 Å²	98.5	34%	0.336	48%	0.48	S	S	.	.	H	α-helix	trans	-62.2	-40.9	179.8	-70.6	-56.8	146.6	0	0	111.9	Q37 E38 T43 K44 N45	Q37-E41 WeakPolarHBondContact O-CG 3.39Å; Q37-E41 PolarHBondContact O-N 3.38Å; E38-E41 PolarHBondContact O-N 3.04Å; E41-T43 PolarHBondContact O-N 3.4Å; E41-K44 PolarHBondContact O-N 3.45Å; E41-K44 IonicContact OE2-NZ 3.67Å; E41-N45 WeakPolarHBondContact O-CB 3.31Å; E41-N45 VanDerWaalsContact O-CG 3.25Å; E41-N45 PolarHBondContact O-N 3.48Å; E41-N45 PolarHBondContact O-ND2 2.86Å
42	K	97.3	Very high	95.4	Very high	162 Å²	162	100.7 Å²	100.7	70%	0.704	49%	0.489	S	S	*	.	H	α-helix	trans	-61.3	-45.4	175.6	-173.9	176.9	-178.7	178	0	111.7	E38 I39 Y40 N45 L46	E38-K42 VanDerWaalsContact O-CB 3.29Å; E38-K42 WeakPolarHBondContact O-CB 3.29Å; E38-K42 PolarHBondContact O-N 2.93Å; I39-K42 PolarHBondContact O-N 2.91Å; Y40-K42 VanDerWaalsContact C-N 3.34Å; Y40-K42 PolarHBondContact O-N 3.47Å; K42-N45 PolarHBondContact O-N 3.13Å; K42-L46 WeakPolarHBondContact O-CB 3.3Å; K42-L46 PolarHBondContact O-N 3.12Å
43	T	97.3	Very high	95.2	Very high	68 Å²	68	103.2 Å²	103.2	42%	0.417	51%	0.51	S	S	.	.	H	α-helix	trans	-66.6	-45.7	-179.2	-55.5	0	0	0	0	110.6	I39 Y40 E41 N45 L46 L47	I39-T43 WeakPolarHBondContact O-CB 3.5Å; I39-T43 PolarHBondContact O-N 2.72Å; I39-T43 PolarHBondContact O-OG1 2.83Å; Y40-T43 PolarHBondContact O-N 3.21Å; E41-T43 PolarHBondContact O-N 3.4Å; T43-N45 PolarHBondContact O-N 2.89Å; T43-L46 PolarHBondContact O-N 3.32Å; T43-L47 HydrophobicContact CG2-CD1 4.09Å; T43-L47 HydrophobicContact CG2-CG 4.45Å; T43-L47 VanDerWaalsContact O-CG 3.3Å; T43-L47 WeakPolarHBondContact O-CG 3.47Å; T43-L47 PolarHBondContact O-N 2.91Å
44	K	97.6	Very high	94.6	Very high	76 Å²	76	102.3 Å²	102.3	33%	0.33	51%	0.508	S	S	.	.	H	α-helix	trans	-54.2	-53.4	174.2	177.3	-178.6	166.4	-166.6	0	110.8	Y40 E41 L46 L47 F48	Y40-K44 HydrophobicContact CE1-CD 3.98Å; Y40-K44 VanDerWaalsContact O-CB 3.25Å; Y40-K44 WeakPolarHBondContact O-CB 3.48Å; Y40-K44 PolarHBondContact O-N 2.91Å; E41-K44 PolarHBondContact O-N 3.45Å; E41-K44 IonicContact OE2-NZ 3.67Å; K44-L46 VanDerWaalsContact C-N 3.32Å; K44-L46 PolarHBondContact O-N 3.23Å; K44-L47 PolarHBondContact O-N 2.97Å; K44-F48 HydrophobicContact CD-CE2 4.46Å; K44-F48 HydrophobicContact CG-CD2 3.64Å; K44-F48 HydrophobicContact CG-CE2 3.69Å; K44-F48 VanDerWaalsContact O-CD2 3.25Å; K44-F48 WeakPolarHBondContact O-CD2 3.09Å; K44-F48 PolarHBondContact O-N 2.94Å
45	N	97.8	Very high	93.9	Very high	83 Å²	83	100.4 Å²	100.4	44%	0.444	51%	0.507	S	S	.	.	H	α-helix	trans	-60.1	-41.4	179.1	-73	-35.4	0	0	0	112.4	E41 K42 T43 L47 F48 N49	E41-N45 WeakPolarHBondContact O-CB 3.31Å; E41-N45 VanDerWaalsContact O-CG 3.25Å; E41-N45 PolarHBondContact O-N 3.48Å; E41-N45 PolarHBondContact O-ND2 2.86Å; K42-N45 PolarHBondContact O-N 3.13Å; T43-N45 PolarHBondContact O-N 2.89Å; N45-L47 PolarHBondContact O-N 3.5Å; N45-F48 PolarHBondContact O-N 3.46Å; N45-N49 VanDerWaalsContact O-CB 3.24Å; N45-N49 WeakPolarHBondContact O-CB 3.44Å; N45-N49 PolarHBondContact O-N 2.94Å; N45-N49 PolarHBondContact O-ND2 2.84Å; N45-N49 VanDerWaalsContact O-ND2 3.13Å
46	L	97.3	Very high	92.6	Very high	128 Å²	128	98 Å²	98	67%	0.67	51%	0.508	S	S	*	.	H	α-helix	trans	-60.8	-45.8	177.1	-173.8	67.4	0	0	0	111.6	K42 T43 K44 G50	K42-L46 WeakPolarHBondContact O-CB 3.3Å; K42-L46 PolarHBondContact O-N 3.12Å; T43-L46 PolarHBondContact O-N 3.32Å; K44-L46 VanDerWaalsContact C-N 3.32Å; K44-L46 PolarHBondContact O-N 3.23Å; L46-G50 PolarHBondContact O-N 3.17Å
47	L	96.8	Very high	91.3	Very high	120 Å²	120	100.1 Å²	100.1	63%	0.628	52%	0.521	S	S	*	.	H	α-helix	trans	-65.2	-46	178.6	-68.2	173.6	0	0	0	111.8	T43 K44 N45 G50 A51	T43-L47 HydrophobicContact CG2-CD1 4.09Å; T43-L47 HydrophobicContact CG2-CG 4.45Å; T43-L47 VanDerWaalsContact O-CG 3.3Å; T43-L47 WeakPolarHBondContact O-CG 3.47Å; T43-L47 PolarHBondContact O-N 2.91Å; K44-L47 PolarHBondContact O-N 2.97Å; N45-L47 PolarHBondContact O-N 3.5Å; L47-G50 PolarHBondContact O-N 2.81Å; L47-A51 WeakPolarHBondContact O-CB 3.45Å; L47-A51 PolarHBondContact O-N 2.83Å
48	F	96.3	Very high	89.7	Confident	138 Å²	138	100.6 Å²	100.6	61%	0.605	53%	0.526	S	S	*	.	H	α-helix	trans	-63.9	-42.9	177.9	-87.3	-74.1	0	0	0	112.3	K44 N45 A51 K52	K44-F48 HydrophobicContact CD-CE2 4.46Å; K44-F48 HydrophobicContact CG-CD2 3.64Å; K44-F48 HydrophobicContact CG-CE2 3.69Å; K44-F48 VanDerWaalsContact O-CD2 3.25Å; K44-F48 WeakPolarHBondContact O-CD2 3.09Å; K44-F48 PolarHBondContact O-N 2.94Å; N45-F48 PolarHBondContact O-N 3.46Å; F48-A51 PolarHBondContact O-N 2.94Å; F48-K52 WeakPolarHBondContact O-CB 3.46Å; F48-K52 PolarHBondContact O-N 3.4Å
49	N	94.7	Very high	87.9	Confident	105 Å²	105	105.7 Å²	105.7	56%	0.561	54%	0.54	S	S	*	.	H	α-helix	trans	-65.1	-41.5	177	-72.2	-26.2	0	0	0	111.6	N45 K52 A53	N45-N49 VanDerWaalsContact O-CB 3.24Å; N45-N49 WeakPolarHBondContact O-CB 3.44Å; N45-N49 PolarHBondContact O-N 2.94Å; N45-N49 PolarHBondContact O-ND2 2.84Å; N45-N49 VanDerWaalsContact O-ND2 3.13Å; N49-K52 PolarHBondContact O-N 3.2Å; N49-A53 WeakPolarHBondContact O-CB 3.3Å; N49-A53 PolarHBondContact O-N 3.28Å
50	G	93.1	Very high	85.9	Confident	38 Å²	38	106.5 Å²	106.5	39%	0.392	55%	0.549	S	S	.	.	H	α-helix	trans	-60.2	-47.3	174.3	0	0	0	0	0	112.1	L46 L47 A53 V54	L46-G50 PolarHBondContact O-N 3.17Å; L47-G50 PolarHBondContact O-N 2.81Å; G50-A53 PolarHBondContact O-N 3.05Å; G50-V54 WeakPolarHBondContact O-CG2 3.38Å; G50-V54 PolarHBondContact O-N 3.15Å
51	A	92.3	Very high	83.9	Confident	52 Å²	52	102.6 Å²	102.6	43%	0.43	55%	0.552	S	S	.	*	H	α-helix	trans	-61.4	-46.1	176.4	0	0	0	0	0	111.8	L47 F48 A53 V54 V55	L47-A51 WeakPolarHBondContact O-CB 3.45Å; L47-A51 PolarHBondContact O-N 2.83Å; F48-A51 PolarHBondContact O-N 2.94Å; A51-A53 VanDerWaalsContact C-N 3.31Å; A51-A53 PolarHBondContact O-N 2.84Å; A51-V54 PolarHBondContact O-N 3.09Å; A51-V55 WeakPolarHBondContact O-CB 3.2Å; A51-V55 WeakPolarHBondContact O-CG2 3.37Å; A51-V55 PolarHBondContact O-N 3.35Å
52	K	89.2	Confident	81.8	Confident	161 Å²	161	107.9 Å²	107.9	70%	0.7	58%	0.577	S	S	*	*	H	α-helix	trans	-59.5	-41	177.2	-174.8	178.9	179.3	-179.1	0	112.1	F48 N49 V54 G56	F48-K52 WeakPolarHBondContact O-CB 3.46Å; F48-K52 PolarHBondContact O-N 3.4Å; N49-K52 PolarHBondContact O-N 3.2Å; K52-V54 VanDerWaalsContact C-N 3.31Å; K52-V54 PolarHBondContact O-N 2.83Å; K52-G56 PolarHBondContact O-N 2.95Å
53	A	87.8	Confident	79.8	Confident	57 Å²	57	108.6 Å²	108.6	47%	0.471	58%	0.583	S	S	.	*	H	α-helix	trans	-65.3	-33	178.5	0	0	0	0	0	112.9	N49 G50 A51 K57	N49-A53 WeakPolarHBondContact O-CB 3.3Å; N49-A53 PolarHBondContact O-N 3.28Å; G50-A53 PolarHBondContact O-N 3.05Å; A51-A53 VanDerWaalsContact C-N 3.31Å; A51-A53 PolarHBondContact O-N 2.84Å; A53-K57 WeakPolarHBondContact O-CG 3.28Å
54	V	83.3	Confident	77	Confident	87 Å²	87	114.8 Å²	114.8	53%	0.527	60%	0.604	S	S	.	*	H	α-helix	trans	-78.9	-48.4	176.4	174.9	0	0	0	0	111.2	G50 A51 K52 G56 K57 I58	G50-V54 WeakPolarHBondContact O-CG2 3.38Å; G50-V54 PolarHBondContact O-N 3.15Å; A51-V54 PolarHBondContact O-N 3.09Å; K52-V54 VanDerWaalsContact C-N 3.31Å; K52-V54 PolarHBondContact O-N 2.83Å; V54-G56 VanDerWaalsContact C-N 3.3Å; V54-G56 PolarHBondContact O-N 3.44Å; V54-K57 WeakPolarHBondContact O-CB 3.23Å; V54-K57 PolarHBondContact O-N 2.66Å; V54-I58 HydrophobicContact CG1-CD1 3.81Å; V54-I58 WeakPolarHBondContact O-CG1 3.5Å; V54-I58 PolarHBondContact O-N 3.5Å
55	V	80.4	Confident	74.5	Confident	89 Å²	89	116.3 Å²	116.3	54%	0.539	62%	0.623	S	S	.	*	H	α-helix	trans	-62.6	-38.6	179.9	173.7	0	0	0	0	111.4	A51 K57 I58 W59	A51-V55 WeakPolarHBondContact O-CB 3.2Å; A51-V55 WeakPolarHBondContact O-CG2 3.37Å; A51-V55 PolarHBondContact O-N 3.35Å; V55-K57 VanDerWaalsContact C-N 3.33Å; V55-K57 PolarHBondContact O-N 3.46Å; V55-I58 PolarHBondContact O-N 2.98Å; V55-W59 WeakPolarHBondContact O-CB 3.34Å; V55-W59 PolarHBondContact O-N 3.49Å
56	G	65.9	Low	71.6	Confident	34 Å²	34	117.1 Å²	117.1	35%	0.351	63%	0.633	S	S	.	*	H	α-helix	trans	-54.4	-49.5	173.8	0	0	0	0	0	111.6	K52 V54 I58 W59 T60	K52-G56 PolarHBondContact O-N 2.95Å; V54-G56 VanDerWaalsContact C-N 3.3Å; V54-G56 PolarHBondContact O-N 3.44Å; G56-I58 VanDerWaalsContact C-N 3.32Å; G56-I58 PolarHBondContact O-N 3.36Å; G56-W59 PolarHBondContact O-N 3.41Å; G56-T60 PolarHBondContact O-N 3.23Å; G56-T60 PolarHBondContact O-OG1 2.93Å
57	K	66.8	Low	69	Low	169 Å²	169	118.7 Å²	118.7	74%	0.735	64%	0.642	S	S	*	*	H	α-helix	trans	-61.6	-36.9	178.4	-69	176.1	-179.7	-170.3	0	113.5	A53 V54 V55	A53-K57 WeakPolarHBondContact O-CG 3.28Å; V54-K57 WeakPolarHBondContact O-CB 3.23Å; V54-K57 PolarHBondContact O-N 2.66Å; V55-K57 VanDerWaalsContact C-N 3.33Å; V55-K57 PolarHBondContact O-N 3.46Å
58	I	63.1	Low	66.4	Low	130 Å²	130	117.3 Å²	117.3	67%	0.667	64%	0.642	S	S	*	*	H	α-helix	trans	-73	-35	179.7	-61.6	165.1	0	0	0	110.9	V54 V55 G56	V54-I58 HydrophobicContact CG1-CD1 3.81Å; V54-I58 WeakPolarHBondContact O-CG1 3.5Å; V54-I58 PolarHBondContact O-N 3.5Å; V55-I58 PolarHBondContact O-N 2.98Å; G56-I58 VanDerWaalsContact C-N 3.32Å; G56-I58 PolarHBondContact O-N 3.36Å
59	W	58.6	Low	63.7	Low	227 Å²	227	119.1 Å²	119.1	86%	0.86	65%	0.652	S	S	*	*	H	α-helix	trans	-89.9	-26.2	-174.3	-164.8	-87.6	0	0	0	114.5	V55 G56 G61	V55-W59 WeakPolarHBondContact O-CB 3.34Å; V55-W59 PolarHBondContact O-N 3.49Å; G56-W59 PolarHBondContact O-N 3.41Å; W59-G61 PolarHBondContact O-N 3.11Å
60	T	54.4	Low	60.7	Low	98 Å²	98	123.1 Å²	123.1	60%	0.601	67%	0.665	S	S	*	*	S	Bend	trans	-73.6	-2	179.3	32.9	0	0	0	0	115.1	G56 E62	G56-T60 PolarHBondContact O-N 3.23Å; G56-T60 PolarHBondContact O-OG1 2.93Å; T60-E62 PolarHBondContact O-N 2.71Å
61	G	54.5	Low	57.8	Low	61 Å²	61	129.7 Å²	129.7	63%	0.629	68%	0.683	S	S	*	*			trans	54.6	24.4	165.5	0	0	0	0	0	115.5	W59 E63	W59-G61 PolarHBondContact O-N 3.11Å; G61-E63 PolarHBondContact O-N 3.21Å
62	E	53.8	Low	55	Low	183 Å²	183	133.8 Å²	133.8	86%	0.855	69%	0.693	S	S	*	*			trans	-83.8	56	170.2	-68.9	-174.2	152.4	0	0	109.2	T60 K64	T60-E62 PolarHBondContact O-N 2.71Å; E62-K64 VanDerWaalsContact C-N 3.26Å; E62-K64 PolarHBondContact O-N 3.28Å; E62-K64 VanDerWaalsContact O-N 3.14Å
63	E	54.1	Low	52.4	Low	177 Å²	177	134.2 Å²	134.2	83%	0.827	70%	0.698	S	S	*	*			trans	-78.8	82.6	160.8	-66.9	-150.7	146.8	0	0	108	G61	G61-E63 PolarHBondContact O-N 3.21Å
64	K	39.2	Very low	50	Low	197 Å²	197	138 Å²	138	86%	0.857	71%	0.705	S	S	*	*			trans	-91.5	92	149.3	-126.6	178.3	-176.4	178.4	0	106.2	E62 P66	E62-K64 VanDerWaalsContact C-N 3.26Å; E62-K64 PolarHBondContact O-N 3.28Å; E62-K64 VanDerWaalsContact O-N 3.14Å; K64-P66 WeakPolarHBondContact O-CD 2.97Å
65	C	45.5	Very low	47.7	Very low	109 Å²	109	140.3 Å²	140.3	74%	0.736	72%	0.72	S	S	*	*			trans	-61.9	118	155.9	-87.7	0	0	0	0	108.3
66	P	37.3	Very low	45.5	Very low	100 Å²	100	139.1 Å²	139.1	65%	0.649	72%	0.72	S	S	*	*			trans	-84.3	114.7	135	32.3	-23.7	0	0	0	106.5	K64 S68	K64-P66 WeakPolarHBondContact O-CD 2.97Å; P66-S68 PolarHBondContact O-N 2.9Å
67	D	42.3	Very low	43.9	Very low	161 Å²	161	142 Å²	142	86%	0.861	73%	0.733	S	S	*	*			trans	-55.7	93.9	155.6	-165.1	8.2	0	0	0	107.4
68	S	42.1	Very low	42.8	Very low	90 Å²	90	138 Å²	138	63%	0.629	73%	0.726	S	S	*	*			trans	-164.9	92.7	174.4	-83.3	0	0	0	0	107.4	P66 F70	P66-S68 PolarHBondContact O-N 2.9Å; S68-F70 PolarHBondContact O-N 2.82Å
69	Q	39.2	Very low	42	Very low	176 Å²	176	138.3 Å²	138.3	82%	0.822	73%	0.725	S	S	*	*			trans	43.2	85.3	149.7	-62.8	177.1	2.2	0	0	113.1	K71	Q69-K71 PolarHBondContact O-N 2.66Å
70	F	31.4	Very low	41.7	Very low	189 Å²	189	131.4 Å²	131.4	83%	0.829	71%	0.708	S	S	*	*			trans	-55.9	79.2	160.3	-86.5	-99.5	0	0	0	109.5	S68 E72	S68-F70 PolarHBondContact O-N 2.82Å; F70-E72 HydrophobicContact CD1-CG 4.38Å; F70-E72 PolarHBondContact O-N 2.99Å; F70-E72 VanDerWaalsContact O-N 3.09Å
71	K	32.3	Very low	41.6	Very low	177 Å²	177	129.9 Å²	129.9	77%	0.77	70%	0.696	S	S	*	*			trans	-68.5	91	140.4	-80.2	-175.6	177.8	178.9	0	104	Q69 Q73	Q69-K71 PolarHBondContact O-N 2.66Å; K71-Q73 PolarHBondContact O-N 2.94Å
72	E	34.5	Very low	41.6	Very low	137 Å²	137	129.7 Å²	129.7	64%	0.64	68%	0.68	S	S	*	*			trans	-51.7	89.3	165.1	-81.2	179.2	176	0	0	108.6	F70 H74	F70-E72 HydrophobicContact CD1-CG 4.38Å; F70-E72 PolarHBondContact O-N 2.99Å; F70-E72 VanDerWaalsContact O-N 3.09Å; E72-H74 PolarHBondContact O-N 2.73Å
73	Q	34.2	Very low	41.7	Very low	171 Å²	171	126.1 Å²	126.1	80%	0.799	66%	0.659	S	S	*	*			trans	-72.3	52.5	151.1	-127.5	97.2	1.6	0	0	107.4	K71 T75	K71-Q73 PolarHBondContact O-N 2.94Å; Q73-T75 VanDerWaalsContact C-N 3.29Å; Q73-T75 PolarHBondContact O-N 3.35Å
74	H	36.3	Very low	42.1	Very low	136 Å²	136	120.3 Å²	120.3	63%	0.63	65%	0.646	S	S	*	*			trans	-53.7	114.6	143.3	-87.3	-96.1	0	0	0	103	E72 A76	E72-H74 PolarHBondContact O-N 2.73Å; H74-A76 PolarHBondContact O-N 2.93Å
75	T	36	Very low	43.4	Very low	136 Å²	136	114.8 Å²	114.8	83%	0.834	62%	0.624	S	S	*	*			trans	-63.3	80.1	152	-49	0	0	0	0	103	Q73 C77	Q73-T75 VanDerWaalsContact C-N 3.29Å; Q73-T75 PolarHBondContact O-N 3.35Å; T75-C77 PolarHBondContact O-N 3.33Å
76	A	33.3	Very low	45	Very low	64 Å²	64	113 Å²	113	53%	0.529	61%	0.61	S	S	.	*			trans	-50.9	107.1	162.3	0	0	0	0	0	100.9	H74 S78	H74-A76 PolarHBondContact O-N 2.93Å; A76-S78 PolarHBondContact O-N 3.43Å; A76-S78 PolarHBondContact O-OG 3.27Å
77	C	33.8	Very low	47.1	Very low	93 Å²	93	112.3 Å²	112.3	63%	0.628	60%	0.6	S	S	*	*			trans	-57.4	97.2	154.8	-164	0	0	0	0	101.4	T75 Q79	T75-C77 PolarHBondContact O-N 3.33Å; C77-Q79 HydrophobicContact CB-CG 4.21Å; C77-Q79 PolarHBondContact O-N 3.03Å; C77-Q79 WeakPolarHBondContact SG-CG 3.47Å; C77-Q79 PolarHBondContact SG-NE2 3.19Å; C77-Q79 VanDerWaalsContact SG-NE2 3.38Å
78	S	43.1	Very low	49.2	Very low	85 Å²	85	110.3 Å²	110.3	59%	0.594	59%	0.588	S	S	*	*			trans	-68.3	58.3	175.2	-50.8	0	0	0	0	106.5	A76 T80	A76-S78 PolarHBondContact O-N 3.43Å; A76-S78 PolarHBondContact O-OG 3.27Å; S78-T80 PolarHBondContact O-N 2.88Å
79	Q	47.3	Very low	51.1	Low	138 Å²	138	106.9 Å²	106.9	65%	0.645	57%	0.566	S	S	*	*			trans	-69.4	85.9	156.8	-56.2	-169.4	8.2	0	0	102.2	C77 L81	C77-Q79 HydrophobicContact CB-CG 4.21Å; C77-Q79 PolarHBondContact O-N 3.03Å; C77-Q79 WeakPolarHBondContact SG-CG 3.47Å; C77-Q79 PolarHBondContact SG-NE2 3.19Å; C77-Q79 VanDerWaalsContact SG-NE2 3.38Å; Q79-L81 PolarHBondContact O-N 3.38Å
80	T	50.8	Low	53.1	Low	82 Å²	82	108.7 Å²	108.7	50%	0.503	58%	0.575	S	S	.	*			trans	-49.9	97.8	158.6	36.4	0	0	0	0	105.2	S78 L82 P104	S78-T80 PolarHBondContact O-N 2.88Å; T80-L82 PolarHBondContact O-N 2.75Å; T80-P104 HydrophobicContact CG2-CG 3.66Å
81	L	52.3	Low	55.6	Low	65 Å²	65	104.5 Å²	104.5	34%	0.34	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-57.3	129.3	-177.2	-69.7	177.3	0	0	0	106.4	Q79 R83 Q85 L87	Q79-L81 PolarHBondContact O-N 3.38Å; L81-R83 PolarHBondContact O-N 2.68Å; L81-Q85 HydrophobicContact CB-CB 4.15Å; L81-L87 HydrophobicContact CD1-CD1 4.03Å
82	L	55.9	Low	58	Low	58 Å²	58	98.7 Å²	98.7	30%	0.304	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-57.2	140	178.9	-83.7	165.9	0	0	0	108.9	T80 G84 Q85 C126	T80-L82 PolarHBondContact O-N 2.75Å; L82-G84 PolarHBondContact O-N 2.71Å; L82-Q85 HydrophobicContact CB-CG 4.05Å; L82-Q85 WeakPolarHBondContact O-CB 3.47Å; L82-Q85 PolarHBondContact O-N 2.85Å; L82-C126 HydrophobicContact CD2-CB 4.29Å
83	R	55.8	Low	60.4	Low	107 Å²	107	98.9 Å²	98.9	40%	0.404	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-53.4	120	169.4	179.4	166.9	180	-98.9	18	108.7	L81 S124 Q125 D127	L81-R83 PolarHBondContact O-N 2.68Å; R83-S124 PolarHBondContact NH1-O 3.28Å; R83-Q125 WeakPolarHBondContact CD-O 3.17Å; R83-Q125 WeakPolarHBondContact CG-O 3.47Å; R83-Q125 PolarHBondContact NH1-O 2.82Å; R83-D127 WeakPolarHBondContact CD-OD2 3.37Å; R83-D127 IonicContact NE-OD2 3.65Å
84	G	60.7	Low	62.5	Low	55 Å²	55	96.3 Å²	96.3	57%	0.567	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.7	-15.2	-173.5	0	0	0	0	0	114.8	L82	L82-G84 PolarHBondContact O-N 2.71Å
85	Q	68.1	Low	64.1	Low	82 Å²	82	92.8 Å²	92.8	38%	0.383	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-71.9	130.6	166.9	-74.1	177.7	-19.5	0	0	109.7	L81 L82 T97	L81-Q85 HydrophobicContact CB-CB 4.15Å; L82-Q85 HydrophobicContact CB-CG 4.05Å; L82-Q85 WeakPolarHBondContact O-CB 3.47Å; L82-Q85 PolarHBondContact O-N 2.85Å; Q85-T97 PolarHBondContact O-OG1 3.03Å
86	T	78.2	Confident	65.6	Low	72 Å²	72	94.1 Å²	94.1	44%	0.442	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	139.7	176.9	50.7	0	0	0	0	109.9	L94 T95	T86-L94 HydrophobicContact CG2-CB 4.31Å; T86-T95 WeakPolarHBondContact CA-O 3.4Å
87	L	82	Confident	66.9	Low	84 Å²	84	93.3 Å²	93.3	44%	0.44	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	137.3	174.3	-161.3	140.4	0	0	0	109.1	L81 G89 T95 T97	L81-L87 HydrophobicContact CD1-CD1 4.03Å; L87-G89 PolarHBondContact O-N 3.15Å; L87-T95 PolarHBondContact N-O 3.05Å; L87-T95 PolarHBondContact O-N 3.48Å; L87-T95 PolarHBondContact O-OG1 3.11Å; L87-T95 VanDerWaalsContact O-OG1 3.05Å; L87-T97 HydrophobicContact CB-CG2 3.77Å; L87-T97 HydrophobicContact CD1-CG2 4.28Å
88	I	85.3	Confident	67.8	Low	120 Å²	120	95.6 Å²	95.6	62%	0.615	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	111.1	174.5	-60.9	169.9	0	0	0	107.4	L94	I88-L94 HydrophobicContact CG1-CD2 3.7Å
89	G	82.3	Confident	68.2	Low	17 Å²	17	95.6 Å²	95.6	18%	0.175	52%	0.519	C	S	.	.			trans	-64.9	165	176.4	0	0	0	0	0	112	L87 D91 G92 K93	L87-G89 PolarHBondContact O-N 3.15Å; G89-D91 WeakPolarHBondContact CA-OD1 3.36Å; G89-D91 PolarHBondContact O-N 3.44Å; G89-D91 VanDerWaalsContact O-N 3.12Å; G89-G92 WeakPolarHBondContact O-CA 3.02Å; G89-G92 PolarHBondContact O-N 3.33Å; G89-K93 PolarHBondContact N-O 3.29Å
90	Q	81.3	Confident	68.2	Low	214 Å²	214	95.3 Å²	95.3	100%	1	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.9	175.2	-65	177.8	4.5	0	0	112.5	G92	Q90-G92 VanDerWaalsContact C-N 3.29Å
91	D	84.8	Confident	68	Low	101 Å²	101	101 Å²	101	54%	0.54	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	3.4	172.6	67.9	-23.1	0	0	0	113.6	G89 K93	G89-D91 WeakPolarHBondContact CA-OD1 3.36Å; G89-D91 PolarHBondContact O-N 3.44Å; G89-D91 VanDerWaalsContact O-N 3.12Å; D91-K93 PolarHBondContact O-N 3.03Å; D91-K93 PolarHBondContact OD1-N 3.33Å; D91-K93 WeakPolarHBondContact OD2-CB 2.94Å; D91-K93 VanDerWaalsContact OD2-CD 3.31Å; D91-K93 WeakPolarHBondContact OD2-CD 3.06Å; D91-K93 WeakPolarHBondContact OD2-CG 3.37Å
92	G	82.3	Confident	67.6	Low	56 Å²	56	100.2 Å²	100.2	58%	0.577	56%	0.555	S	S	*	*	S	Bend	trans	75.5	4.4	-178	0	0	0	0	0	114.5	G89 Q90	G89-G92 WeakPolarHBondContact O-CA 3.02Å; G89-G92 PolarHBondContact O-N 3.33Å; Q90-G92 VanDerWaalsContact C-N 3.29Å
93	K	84.3	Confident	67.3	Low	140 Å²	140	104.4 Å²	104.4	61%	0.609	58%	0.582	S	S	*	*			trans	-90.9	147.9	-179.4	-64.1	-173.3	-173.7	169.3	0	111.7	G89 D91 T95	G89-K93 PolarHBondContact N-O 3.29Å; D91-K93 PolarHBondContact O-N 3.03Å; D91-K93 PolarHBondContact OD1-N 3.33Å; D91-K93 WeakPolarHBondContact OD2-CB 2.94Å; D91-K93 VanDerWaalsContact OD2-CD 3.31Å; D91-K93 WeakPolarHBondContact OD2-CD 3.06Å; D91-K93 WeakPolarHBondContact OD2-CG 3.37Å; K93-T95 PolarHBondContact O-N 3.43Å
94	L	79.6	Confident	66.9	Low	118 Å²	118	102.4 Å²	102.4	62%	0.618	58%	0.583	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-75.1	116.6	172.1	-63.7	-179.9	0	0	0	109.4	T86 I88	T86-L94 HydrophobicContact CG2-CB 4.31Å; I88-L94 HydrophobicContact CG1-CD2 3.7Å
95	T	69.4	Low	66.6	Low	61 Å²	61	104.3 Å²	104.3	37%	0.374	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.5	134.4	175.5	57.2	0	0	0	0	109.7	T86 L87 K93 T97	T86-T95 WeakPolarHBondContact CA-O 3.4Å; L87-T95 PolarHBondContact N-O 3.05Å; L87-T95 PolarHBondContact O-N 3.48Å; L87-T95 PolarHBondContact O-OG1 3.11Å; L87-T95 VanDerWaalsContact O-OG1 3.05Å; K93-T95 PolarHBondContact O-N 3.43Å; T95-T97 PolarHBondContact O-N 3.17Å
96	R	66.5	Low	66.1	Low	165 Å²	165	103.9 Å²	103.9	62%	0.623	60%	0.604	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77.6	112	174.3	-172	179.3	-176	175.2	3.3	108	N98	R96-N98 PolarHBondContact O-N 2.96Å
97	T	60.4	Low	65.3	Low	46 Å²	46	104.9 Å²	104.9	28%	0.282	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-76.3	120.5	175.2	46.3	0	0	0	0	109.7	Q85 L87 T95	Q85-T97 PolarHBondContact O-OG1 3.03Å; L87-T97 HydrophobicContact CB-CG2 3.77Å; L87-T97 HydrophobicContact CD1-CG2 4.28Å; T95-T97 PolarHBondContact O-N 3.17Å
98	N	53.8	Low	64.8	Low	142 Å²	142	105.8 Å²	105.8	76%	0.759	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-69.1	135.1	160.8	-69	-37.9	0	0	0	107.6	R96 V100	R96-N98 PolarHBondContact O-N 2.96Å; N98-V100 PolarHBondContact O-N 3.03Å; N98-V100 VanDerWaalsContact O-N 3.15Å
99	A	51.4	Low	65	Low	84 Å²	84	100.6 Å²	100.6	69%	0.694	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-52.9	122.6	-177.8	0	0	0	0	0	110.5	Q101	A99-Q101 PolarHBondContact O-N 2.85Å
100	V	46.5	Very low	65.4	Low	132 Å²	132	99.8 Å²	99.8	80%	0.8	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-65.5	122.3	174.8	174.7	0	0	0	0	108.3	N98 G102	N98-V100 PolarHBondContact O-N 3.03Å; N98-V100 VanDerWaalsContact O-N 3.15Å; V100-G102 PolarHBondContact O-N 3.49Å
101	Q	46.6	Very low	65.8	Low	203 Å²	203	91.1 Å²	91.1	95%	0.949	55%	0.551	S	S	*	*			trans	-70.5	81.3	168.7	-72.3	175.5	-20.8	0	0	109.2	A99	A99-Q101 PolarHBondContact O-N 2.85Å
102	G	44.8	Very low	66.2	Low	48 Å²	48	88.3 Å²	88.3	50%	0.495	54%	0.538	S	S	.	.			trans	-145	95.2	174.1	0	0	0	0	0	108.5	V100 P104	V100-G102 PolarHBondContact O-N 3.49Å; G102-P104 WeakPolarHBondContact O-CD 3.46Å
103	V	49.6	Very low	66.8	Low	146 Å²	146	87.9 Å²	87.9	89%	0.885	53%	0.525	S	S	*	.			trans	-45.2	109.5	-171.8	-179.5	0	0	0	0	112.8
104	P	48	Very low	67.1	Low	64 Å²	64	88.3 Å²	88.3	42%	0.416	53%	0.529	S	S	.	.			trans	-88.8	147.5	138.6	14.3	8.7	0	0	0	106.8	T80 G102 A106	T80-P104 HydrophobicContact CG2-CG 3.66Å; G102-P104 WeakPolarHBondContact O-CD 3.46Å; P104-A106 PolarHBondContact O-N 2.94Å
105	A	53.8	Low	67.6	Low	95 Å²	95	89.6 Å²	89.6	79%	0.785	53%	0.53	S	S	*	.			trans	-44.1	116.9	175.7	0	0	0	0	0	110
106	A	58.3	Low	68.4	Low	74 Å²	74	91.7 Å²	91.7	61%	0.612	54%	0.538	S	S	*	.			trans	-52.1	132.4	-173.9	0	0	0	0	0	108.3	P104 T108	P104-A106 PolarHBondContact O-N 2.94Å; A106-T108 PolarHBondContact O-N 2.71Å; A106-T108 PolarHBondContact O-OG1 2.93Å
107	P	60.3	Low	69.1	Low	93 Å²	93	91.8 Å²	91.8	60%	0.604	55%	0.546	S	S	*	.			trans	-56.5	106	178.9	19.9	-29.7	0	0	0	108.3	G109	P107-G109 PolarHBondContact O-N 2.8Å
108	T	72	Confident	70.2	Confident	103 Å²	103	92.8 Å²	92.8	63%	0.632	57%	0.566	S	S	*	*			trans	-75.8	16.3	-171.5	-25.5	0	0	0	0	112.1	A106 N116 R120	A106-T108 PolarHBondContact O-N 2.71Å; A106-T108 PolarHBondContact O-OG1 2.93Å; T108-N116 VanDerWaalsContact O-CG 3.31Å; T108-N116 PolarHBondContact O-OD1 2.79Å; T108-R120 PolarHBondContact O-NH1 2.79Å; T108-R120 PolarHBondContact O-NH2 3.48Å
109	G	88.2	Confident	71.7	Confident	10 Å²	10	90.5 Å²	90.5	10%	0.103	56%	0.561	C	S	.	*	S	Bend	trans	-137.2	167.2	-173.6	0	0	0	0	0	113.6	P107 C111 N116	P107-G109 PolarHBondContact O-N 2.8Å; G109-C111 PolarHBondContact O-N 3.03Å; G109-N116 WeakPolarHBondContact CA-OD1 3.22Å; G109-N116 PolarHBondContact N-OD1 2.82Å
110	C	92.6	Very high	73.7	Confident	1 Å²	1	89.7 Å²	89.7	1%	0.007	54%	0.54	C	S	.	.			trans	-61.3	129.5	172.8	174.2	0	0	0	0	110.8	V112 C113 H114 K115 L129 C131 C134	C110-V112 PolarHBondContact O-N 3.23Å; C110-V112 VanDerWaalsContact O-N 3.12Å; C110-V112 PolarHBondContact SG-N 3.27Å; C110-V112 VanDerWaalsContact SG-N 3.41Å; C110-C113 VanDerWaalsContact CB-SG 3.55Å; C110-H114 WeakPolarHBondContact O-CA 3.5Å; C110-H114 PolarHBondContact O-N 2.75Å; C110-K115 PolarHBondContact N-O 2.91Å; C110-L129 CarbonylContact C-O 3.38Å; C110-L129 WeakPolarHBondContact CA-O 3.31Å; C110-C131 HydrophobicContact CB-CB 4.05Å; C110-C131 PolarHBondContact SG-N 2.88Å; C110-C131 VanDerWaalsContact SG-N 3.38Å; C110-C134 VanDerWaalsContact SG-CB 3.53Å; C110-C134 VanDerWaalsContact SG-SG 3.7Å
111	C	89.4	Confident	75.9	Confident	32 Å²	32	86.6 Å²	86.6	22%	0.216	52%	0.521	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-9.8	179.3	62.1	0	0	0	0	115.6	G109 R128 L129	G109-C111 PolarHBondContact O-N 3.03Å; C111-R128 HydrophobicContact CB-CB 3.52Å; C111-R128 HydrophobicContact CB-CG 4.32Å; C111-L129 PolarHBondContact N-O 2.94Å; C111-L129 PolarHBondContact SG-O 3.43Å
112	V	92.9	Very high	78.1	Confident	42 Å²	42	82.1 Å²	82.1	26%	0.255	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-55.7	-179.7	-178.3	0	0	0	0	110.7	C110 C134 C146 S147 V148	C110-V112 PolarHBondContact O-N 3.23Å; C110-V112 VanDerWaalsContact O-N 3.12Å; C110-V112 PolarHBondContact SG-N 3.27Å; C110-V112 VanDerWaalsContact SG-N 3.41Å; V112-C134 HydrophobicContact CB-CB 3.75Å; V112-C134 HydrophobicContact CG1-CB 4.19Å; V112-C134 HydrophobicContact CG2-CB 3.9Å; V112-C146 HydrophobicContact CG2-CB 3.81Å; V112-S147 WeakPolarHBondContact CG1-OG 3.29Å; V112-V148 HydrophobicContact CG1-CG2 4.48Å; V112-V148 HydrophobicContact CG2-CG2 4.09Å
113	C	93.9	Very high	80.5	Confident	46 Å²	46	79.9 Å²	79.9	31%	0.311	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-2.7	-174.8	68.2	0	0	0	0	114.3	C110 K115 C131 C134	C110-C113 VanDerWaalsContact CB-SG 3.55Å; C113-K115 HydrophobicContact CB-CG 4.37Å; C113-K115 PolarHBondContact O-N 3.26Å; C113-C131 VanDerWaalsContact SG-SG 3.65Å; C113-C134 VanDerWaalsContact SG-SG 3.65Å
114	H	90.8	Very high	82.5	Confident	150 Å²	150	74.7 Å²	74.7	69%	0.694	45%	0.45	S	S	*	.			trans	58.7	5.8	-178.5	-57.2	-82	0	0	0	115.8	C110 N116	C110-H114 WeakPolarHBondContact O-CA 3.5Å; C110-H114 PolarHBondContact O-N 2.75Å; H114-N116 PolarHBondContact O-OD1 3.11Å
115	K	90.3	Very high	84.6	Confident	145 Å²	145	73.1 Å²	73.1	63%	0.63	44%	0.437	S	S	*	.			trans	-71	140.7	175.8	-62.1	-177.9	-178.7	-177.6	0	110.7	C110 C113	C110-K115 PolarHBondContact N-O 2.91Å; C113-K115 HydrophobicContact CB-CG 4.37Å; C113-K115 PolarHBondContact O-N 3.26Å
116	N	86.4	Confident	86.3	Confident	104 Å²	104	69.4 Å²	69.4	56%	0.556	41%	0.405	S	S	*	.			trans	-98.2	12	-179.8	-69.4	-6.1	0	0	0	113.9	T108 G109 H114 R120	T108-N116 VanDerWaalsContact O-CG 3.31Å; T108-N116 PolarHBondContact O-OD1 2.79Å; G109-N116 WeakPolarHBondContact CA-OD1 3.22Å; G109-N116 PolarHBondContact N-OD1 2.82Å; H114-N116 PolarHBondContact O-OD1 3.11Å; N116-R120 PolarHBondContact O-NH2 2.91Å
117	Q	81.9	Confident	87.8	Confident	168 Å²	168	69.9 Å²	69.9	79%	0.785	40%	0.397	S	S	*	.			trans	-105.6	150.2	-175.7	-62.6	177.2	17.7	0	0	112.2
118	G	82.3	Confident	89.2	Confident	67 Å²	67	70.2 Å²	70.2	69%	0.691	39%	0.387	S	S	*	.	S	Bend	trans	86.6	173.8	173.2	0	0	0	0	0	115.4
119	S	86.8	Confident	90.2	Very high	94 Å²	94	67.8 Å²	67.8	66%	0.657	37%	0.37	S	S	*	.			trans	-66.7	147.4	173.7	60.8	0	0	0	0	110.9
120	R	91.4	Very high	90.5	Very high	66 Å²	66	67.4 Å²	67.4	25%	0.249	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.2	-176.6	-54.7	-174	-155.2	144.2	1.5	111.1	T108 N116 L129 A130	T108-R120 PolarHBondContact O-NH1 2.79Å; T108-R120 PolarHBondContact O-NH2 3.48Å; N116-R120 PolarHBondContact O-NH2 2.91Å; R120-L129 HydrophobicContact CB-CB 4.33Å; R120-L129 HydrophobicContact CB-CD2 4.21Å; R120-A130 WeakPolarHBondContact CA-O 3.47Å; R120-A130 WeakPolarHBondContact CB-O 3.48Å
121	T	93.1	Very high	90.6	Very high	68 Å²	68	67.9 Å²	67.9	42%	0.417	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	149	178.4	54.1	0	0	0	0	109.4	L129 A130	T121-L129 CarbonylContact O-C 3.48Å; T121-L129 WeakPolarHBondContact O-CA 3.17Å; T121-A130 PolarHBondContact N-O 3.46Å; T121-A130 PolarHBondContact O-N 3.29Å
122	L	94	Very high	90.8	Very high	109 Å²	109	69.8 Å²	69.8	57%	0.571	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	131.8	173.4	-71.2	164	0	0	0	109.1	S124 D127 L129	L122-S124 PolarHBondContact O-N 2.87Å; L122-D127 WeakPolarHBondContact CD2-O 3.46Å; L122-L129 HydrophobicContact CD2-CD2 3.74Å; L122-L129 HydrophobicContact CD2-CG 4.17Å; L122-L129 HydrophobicContact CG-CD2 4.02Å
123	C	93.9	Very high	90.9	Very high	1 Å²	1	73 Å²	73	1%	0.007	41%	0.411	C	S	.	.			trans	-72.1	123.2	170.7	171.8	0	0	0	0	109.9	Q125 D127 R128 C146	C123-Q125 PolarHBondContact O-N 3.27Å; C123-Q125 PolarHBondContact SG-N 3.2Å; C123-Q125 VanDerWaalsContact SG-N 3.43Å; C123-D127 WeakPolarHBondContact O-CA 3.16Å; C123-D127 PolarHBondContact O-N 3.25Å; C123-R128 WeakPolarHBondContact CB-O 3.26Å; C123-R128 PolarHBondContact N-O 3.04Å; C123-C146 HydrophobicContact CB-CB 4.14Å; C123-C146 PolarHBondContact SG-N 3.49Å
124	S	92.3	Very high	91	Very high	36 Å²	36	71.5 Å²	71.5	25%	0.252	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-10.2	177.8	57.8	0	0	0	0	115.7	R83 L122 S143 P144 C145	R83-S124 PolarHBondContact NH1-O 3.28Å; L122-S124 PolarHBondContact O-N 2.87Å; S124-S143 VanDerWaalsContact OG-CB 3.31Å; S124-S143 WeakPolarHBondContact OG-CB 3.43Å; S124-S143 PolarHBondContact OG-OG 2.85Å; S124-P144 WeakPolarHBondContact CB-O 3.39Å; S124-P144 PolarHBondContact N-O 3.19Å; S124-P144 PolarHBondContact OG-O 2.79Å; S124-C145 PolarHBondContact OG-SG 3.38Å
125	Q	91.3	Very high	91.2	Very high	32 Å²	32	65.5 Å²	65.5	15%	0.15	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-52.8	-179.1	-67.1	-63.5	-21	0	0	112	R83 C123 C149 C163 S165	R83-Q125 WeakPolarHBondContact CD-O 3.17Å; R83-Q125 WeakPolarHBondContact CG-O 3.47Å; R83-Q125 PolarHBondContact NH1-O 2.82Å; C123-Q125 PolarHBondContact O-N 3.27Å; C123-Q125 PolarHBondContact SG-N 3.2Å; C123-Q125 VanDerWaalsContact SG-N 3.43Å; Q125-C149 HydrophobicContact CB-CB 3.63Å; Q125-C149 HydrophobicContact CG-CB 4.06Å; Q125-C163 HydrophobicContact CG-CB 4.09Å; Q125-C163 PolarHBondContact NE2-SG 3.34Å; Q125-S165 PolarHBondContact NE2-OG 3.1Å; Q125-S165 PolarHBondContact OE1-OG 3.43Å
126	C	89.9	Confident	91.4	Very high	16 Å²	16	65.3 Å²	65.3	11%	0.108	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-1.8	-176	66.1	0	0	0	0	114.9	L82 R128 C149	L82-C126 HydrophobicContact CD2-CB 4.29Å; C126-R128 HydrophobicContact CB-CG 4.45Å; C126-R128 PolarHBondContact O-N 3.02Å; C126-C149 VanDerWaalsContact SG-SG 3.65Å
127	D	90.4	Very high	91.9	Very high	84 Å²	84	65.2 Å²	65.2	45%	0.449	37%	0.369	S	S	.	.			trans	55.7	15	-175.8	-57.4	-27.6	0	0	0	114.9	R83 L122 C123	R83-D127 WeakPolarHBondContact CD-OD2 3.37Å; R83-D127 IonicContact NE-OD2 3.65Å; L122-D127 WeakPolarHBondContact CD2-O 3.46Å; C123-D127 WeakPolarHBondContact O-CA 3.16Å; C123-D127 PolarHBondContact O-N 3.25Å
128	R	90.4	Very high	92.6	Very high	100 Å²	100	57.3 Å²	57.3	38%	0.377	33%	0.332	S	S	.	.			trans	-89.2	149.3	176.2	-59.3	-174.8	169.8	-173.7	0.9	111.4	C111 C123 C126	C111-R128 HydrophobicContact CB-CB 3.52Å; C111-R128 HydrophobicContact CB-CG 4.32Å; C123-R128 WeakPolarHBondContact CB-O 3.26Å; C123-R128 PolarHBondContact N-O 3.04Å; C126-R128 HydrophobicContact CB-CG 4.45Å; C126-R128 PolarHBondContact O-N 3.02Å
129	L	92.6	Very high	93.2	Very high	53 Å²	53	57.2 Å²	57.2	28%	0.277	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	130.5	177.9	-68.7	170.4	0	0	0	111.3	C110 C111 R120 T121 L122	C110-L129 CarbonylContact C-O 3.38Å; C110-L129 WeakPolarHBondContact CA-O 3.31Å; C111-L129 PolarHBondContact N-O 2.94Å; C111-L129 PolarHBondContact SG-O 3.43Å; R120-L129 HydrophobicContact CB-CB 4.33Å; R120-L129 HydrophobicContact CB-CD2 4.21Å; T121-L129 CarbonylContact O-C 3.48Å; T121-L129 WeakPolarHBondContact O-CA 3.17Å; L122-L129 HydrophobicContact CD2-CD2 3.74Å; L122-L129 HydrophobicContact CD2-CG 4.17Å; L122-L129 HydrophobicContact CG-CD2 4.02Å
130	A	94.4	Very high	93.6	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.008	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.4	171	0	0	0	0	0	110.2	R120 T121 C134 A135 C146	R120-A130 WeakPolarHBondContact CA-O 3.47Å; R120-A130 WeakPolarHBondContact CB-O 3.48Å; T121-A130 PolarHBondContact N-O 3.46Å; T121-A130 PolarHBondContact O-N 3.29Å; A130-C134 HydrophobicContact CB-CB 4.41Å; A130-A135 HydrophobicContact CB-CB 4.2Å; A130-C146 HydrophobicContact CB-CB 3.93Å
131	C	94.9	Very high	93.8	Very high	12 Å²	12	56.3 Å²	56.3	8%	0.081	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	162.8	170.4	69.1	0	0	0	0	110.3	C110 C113 S133 C134 A135	C110-C131 HydrophobicContact CB-CB 4.05Å; C110-C131 PolarHBondContact SG-N 2.88Å; C110-C131 VanDerWaalsContact SG-N 3.38Å; C113-C131 VanDerWaalsContact SG-SG 3.65Å; C131-S133 PolarHBondContact O-N 3.49Å; C131-S133 VanDerWaalsContact O-N 3.1Å; C131-C134 CarbonylContact O-C 3.51Å; C131-C134 WeakPolarHBondContact O-CA 3.24Å; C131-C134 PolarHBondContact O-N 3.01Å; C131-C134 PolarHBondContact SG-SG 3.45Å; C131-A135 PolarHBondContact O-N 3.12Å
132	A	93.3	Very high	93.9	Very high	72 Å²	72	57.6 Å²	57.6	60%	0.595	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-35.7	-179.5	0	0	0	0	0	114	C134	A132-C134 VanDerWaalsContact C-N 3.32Å; A132-C134 PolarHBondContact O-N 3.08Å
133	S	94.8	Very high	94	Very high	109 Å²	109	53.5 Å²	53.5	76%	0.762	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-20.1	177.6	-47.6	0	0	0	0	114.2	C131	C131-S133 PolarHBondContact O-N 3.49Å; C131-S133 VanDerWaalsContact O-N 3.1Å
134	C	95.3	Very high	94.1	Very high	14 Å²	14	55.8 Å²	55.8	10%	0.095	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-8.3	-178.8	-65.8	0	0	0	0	112.8	C110 V112 C113 A130 C131 A132 C146 S147	C110-C134 VanDerWaalsContact SG-CB 3.53Å; C110-C134 VanDerWaalsContact SG-SG 3.7Å; V112-C134 HydrophobicContact CB-CB 3.75Å; V112-C134 HydrophobicContact CG1-CB 4.19Å; V112-C134 HydrophobicContact CG2-CB 3.9Å; C113-C134 VanDerWaalsContact SG-SG 3.65Å; A130-C134 HydrophobicContact CB-CB 4.41Å; C131-C134 CarbonylContact O-C 3.51Å; C131-C134 WeakPolarHBondContact O-CA 3.24Å; C131-C134 PolarHBondContact O-N 3.01Å; C131-C134 PolarHBondContact SG-SG 3.45Å; A132-C134 VanDerWaalsContact C-N 3.32Å; A132-C134 PolarHBondContact O-N 3.08Å; C134-C146 CarbonylContact O-C 3.58Å; C134-C146 WeakPolarHBondContact O-CA 3.38Å; C134-S147 PolarHBondContact O-N 2.93Å
135	A	94.8	Very high	94.2	Very high	24 Å²	24	54.1 Å²	54.1	20%	0.198	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	141.9	172.1	0	0	0	0	0	109.7	A130 C131 C145	A130-A135 HydrophobicContact CB-CB 4.2Å; C131-A135 PolarHBondContact O-N 3.12Å; A135-C145 CarbonylContact C-O 3.51Å; A135-C145 WeakPolarHBondContact CA-O 3.1Å
136	R	95.8	Very high	94.5	Very high	142 Å²	142	52.7 Å²	52.7	54%	0.536	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	158.2	175.1	-64.8	-62.7	-172.5	175.9	1.9	108.8	P144 C145 T150 V161	R136-P144 WeakPolarHBondContact O-CA 3.47Å; R136-C145 PolarHBondContact N-O 2.92Å; R136-C145 PolarHBondContact O-N 3.39Å; R136-T150 HydrophobicContact CB-CG2 4.04Å; R136-V161 HydrophobicContact CB-CG1 4.02Å
137	Q	96.5	Very high	94.7	Very high	102 Å²	102	54.1 Å²	54.1	48%	0.477	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	124.9	-179.2	-172.3	54.4	71.3	0	0	108.3	S139 C142 S143	Q137-S139 PolarHBondContact O-N 3.49Å; Q137-C142 PolarHBondContact NE2-O 2.86Å; Q137-S143 VanDerWaalsContact NE2-N 3.18Å; Q137-S143 PolarHBondContact NE2-O 2.84Å; Q137-S143 VanDerWaalsContact NE2-O 3.14Å
138	C	96.3	Very high	94.9	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.007	33%	0.332	C	S	.	.			trans	-68.2	129	174.3	-175.9	0	0	0	0	110.1	S140 C141 C142 S143 V161 C163	C138-S140 VanDerWaalsContact C-N 3.29Å; C138-S140 PolarHBondContact O-N 3.22Å; C138-S140 PolarHBondContact SG-N 3.41Å; C138-C141 VanDerWaalsContact CB-SG 3.59Å; C138-C141 PolarHBondContact SG-SG 3.35Å; C138-C142 VanDerWaalsContact O-CA 3.29Å; C138-C142 WeakPolarHBondContact O-CA 3.39Å; C138-C142 PolarHBondContact O-N 3.26Å; C138-C142 VanDerWaalsContact O-N 3.1Å; C138-S143 PolarHBondContact N-O 3.12Å; C138-S143 VanDerWaalsContact N-O 3.14Å; C138-V161 CarbonylContact C-O 3.48Å; C138-V161 VanDerWaalsContact CA-O 3.29Å; C138-V161 WeakPolarHBondContact CA-O 3.49Å; C138-C163 HydrophobicContact CB-CB 4.11Å; C138-C163 PolarHBondContact SG-N 2.99Å
139	S	95.8	Very high	95.2	Very high	65 Å²	65	51.4 Å²	51.4	46%	0.455	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-29.3	176.6	-61.1	0	0	0	0	112.8	Q137 V161	Q137-S139 PolarHBondContact O-N 3.49Å; S139-V161 PolarHBondContact N-O 3.35Å; S139-V161 PolarHBondContact OG-N 3.14Å; S139-V161 PolarHBondContact OG-O 3.48Å
140	S	94.7	Very high	95.3	Very high	81 Å²	81	49.8 Å²	49.8	57%	0.566	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-56.5	-176.8	174.7	0	0	0	0	112.9	C138	C138-S140 VanDerWaalsContact C-N 3.29Å; C138-S140 PolarHBondContact O-N 3.22Å; C138-S140 PolarHBondContact SG-N 3.41Å
141	C	95.3	Very high	95.3	Very high	61 Å²	61	53.9 Å²	53.9	41%	0.412	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	2.4	-172.8	63.3	0	0	0	0	114.5	C138 S143 C163	C138-C141 VanDerWaalsContact CB-SG 3.59Å; C138-C141 PolarHBondContact SG-SG 3.35Å; C141-S143 PolarHBondContact O-N 2.73Å; C141-S143 PolarHBondContact SG-OG 2.98Å; C141-C163 VanDerWaalsContact SG-SG 3.7Å
142	C	95.9	Very high	95.3	Very high	94 Å²	94	55.8 Å²	55.8	64%	0.635	34%	0.344	S	S	*	.			trans	52.2	24.9	-179.1	-63.5	0	0	0	0	114.3	Q137 C138	Q137-C142 PolarHBondContact NE2-O 2.86Å; C138-C142 VanDerWaalsContact O-CA 3.29Å; C138-C142 WeakPolarHBondContact O-CA 3.39Å; C138-C142 PolarHBondContact O-N 3.26Å; C138-C142 VanDerWaalsContact O-N 3.1Å
143	S	95.5	Very high	95.3	Very high	23 Å²	23	54.9 Å²	54.9	16%	0.161	33%	0.329	C	S	.	.			trans	-89.3	140.2	172.2	69.7	0	0	0	0	112.5	S124 Q137 C138 C141	S124-S143 VanDerWaalsContact OG-CB 3.31Å; S124-S143 WeakPolarHBondContact OG-CB 3.43Å; S124-S143 PolarHBondContact OG-OG 2.85Å; Q137-S143 VanDerWaalsContact NE2-N 3.18Å; Q137-S143 PolarHBondContact NE2-O 2.84Å; Q137-S143 VanDerWaalsContact NE2-O 3.14Å; C138-S143 PolarHBondContact N-O 3.12Å; C138-S143 VanDerWaalsContact N-O 3.14Å; C141-S143 PolarHBondContact O-N 2.73Å; C141-S143 PolarHBondContact SG-OG 2.98Å
144	P	95.2	Very high	95.3	Very high	50 Å²	50	57.1 Å²	57.1	33%	0.325	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	134.8	172.2	29.2	-34	0	0	0	110.8	S124 R136	S124-P144 WeakPolarHBondContact CB-O 3.39Å; S124-P144 PolarHBondContact N-O 3.19Å; S124-P144 PolarHBondContact OG-O 2.79Å; R136-P144 WeakPolarHBondContact O-CA 3.47Å
145	C	96.3	Very high	95	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.007	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	149.4	-180	-66.8	0	0	0	0	110.3	S124 A135 R136 T150 C163	S124-C145 PolarHBondContact OG-SG 3.38Å; A135-C145 CarbonylContact C-O 3.51Å; A135-C145 WeakPolarHBondContact CA-O 3.1Å; R136-C145 PolarHBondContact N-O 2.92Å; R136-C145 PolarHBondContact O-N 3.39Å; C145-T150 HydrophobicContact CB-CG2 3.34Å; C145-C163 WeakPolarHBondContact SG-CB 3.19Å
146	C	95.6	Very high	94.6	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.014	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	156.7	167.3	70.1	0	0	0	0	109.4	V112 C123 A130 C134 V148 C149 T150	V112-C146 HydrophobicContact CG2-CB 3.81Å; C123-C146 HydrophobicContact CB-CB 4.14Å; C123-C146 PolarHBondContact SG-N 3.49Å; A130-C146 HydrophobicContact CB-CB 3.93Å; C134-C146 CarbonylContact O-C 3.58Å; C134-C146 WeakPolarHBondContact O-CA 3.38Å; C146-V148 PolarHBondContact O-N 3.24Å; C146-C149 PolarHBondContact O-N 3.41Å; C146-C149 PolarHBondContact SG-SG 2.77Å; C146-T150 PolarHBondContact O-N 3.47Å
147	S	95.1	Very high	94.2	Very high	46 Å²	46	60.9 Å²	60.9	32%	0.322	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-18.2	179.5	57.4	0	0	0	0	114.6	V112 C134 T150	V112-S147 WeakPolarHBondContact CG1-OG 3.29Å; C134-S147 PolarHBondContact O-N 2.93Å; S147-T150 WeakPolarHBondContact CA-OG1 3.48Å; S147-T150 PolarHBondContact O-OG1 2.78Å
148	V	95.5	Very high	93.9	Very high	109 Å²	109	64.8 Å²	64.8	66%	0.661	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-28.6	174.9	179.8	0	0	0	0	111.6	V112 C146 T150	V112-V148 HydrophobicContact CG1-CG2 4.48Å; V112-V148 HydrophobicContact CG2-CG2 4.09Å; C146-V148 PolarHBondContact O-N 3.24Å; V148-T150 VanDerWaalsContact C-N 3.34Å
149	C	95.4	Very high	93.8	Very high	17 Å²	17	70.1 Å²	70.1	12%	0.115	41%	0.412	C	S	.	.	S	Bend	trans	-97.9	18.5	-179.8	-65.9	0	0	0	0	112.8	Q125 C126 C146 C163 C164	Q125-C149 HydrophobicContact CB-CB 3.63Å; Q125-C149 HydrophobicContact CG-CB 4.06Å; C126-C149 VanDerWaalsContact SG-SG 3.65Å; C146-C149 PolarHBondContact O-N 3.41Å; C146-C149 PolarHBondContact SG-SG 2.77Å; C149-C163 WeakPolarHBondContact O-CA 3.4Å; C149-C164 PolarHBondContact O-N 3.49Å; C149-C164 VanDerWaalsContact O-N 3.17Å; C149-C164 PolarHBondContact O-SG 2.88Å; C149-C164 VanDerWaalsContact O-SG 3.33Å
150	T	95.2	Very high	93.7	Very high	20 Å²	20	71.7 Å²	71.7	12%	0.123	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	147.3	176.5	54.4	0	0	0	0	111	R136 C145 C146 S147 V148 V161 L162	R136-T150 HydrophobicContact CB-CG2 4.04Å; C145-T150 HydrophobicContact CB-CG2 3.34Å; C146-T150 PolarHBondContact O-N 3.47Å; S147-T150 WeakPolarHBondContact CA-OG1 3.48Å; S147-T150 PolarHBondContact O-OG1 2.78Å; V148-T150 VanDerWaalsContact C-N 3.34Å; T150-V161 HydrophobicContact CG2-CG1 3.77Å; T150-L162 CarbonylContact C-O 3.53Å; T150-L162 WeakPolarHBondContact CA-O 3.39Å
151	I	94.5	Very high	93.8	Very high	87 Å²	87	69.3 Å²	69.3	45%	0.446	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	137.4	172.9	-65.6	161.9	0	0	0	106.7	L162 S167	I151-L162 PolarHBondContact N-O 3.14Å; I151-L162 PolarHBondContact O-N 2.82Å; I151-S167 WeakPolarHBondContact CD1-OG 3.42Å
152	T	95.3	Very high	93.8	Very high	51 Å²	51	67.5 Å²	67.5	31%	0.313	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.5	171.2	-56.4	0	0	0	0	108.4	Y154 D159 E160	T152-Y154 HydrophobicContact CG2-CD1 4.14Å; T152-Y154 HydrophobicContact CG2-CD2 4.39Å; T152-Y154 HydrophobicContact CG2-CE1 3.55Å; T152-Y154 HydrophobicContact CG2-CE2 3.85Å; T152-Y154 WeakPolarHBondContact O-CD2 3.25Å; T152-Y154 WeakPolarHBondContact O-CE2 3.27Å; T152-D159 HydrophobicContact CG2-CB 3.91Å; T152-E160 CarbonylContact C-O 3.53Å; T152-E160 VanDerWaalsContact CA-O 3.26Å; T152-E160 WeakPolarHBondContact CA-O 3.29Å
153	D	93.3	Very high	93.8	Very high	54 Å²	54	63 Å²	63	29%	0.289	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	129.5	169.8	-172.8	12.8	0	0	0	109.6	S155 E160 L162	D153-S155 VanDerWaalsContact CG-OG 3.24Å; D153-S155 WeakPolarHBondContact OD1-CB 3.46Å; D153-S155 PolarHBondContact OD1-N 2.87Å; D153-S155 PolarHBondContact OD1-OG 2.94Å; D153-S155 VanDerWaalsContact OD1-OG 3.11Å; D153-S155 PolarHBondContact OD2-OG 3.48Å; D153-E160 HydrophobicContact CB-CB 4.48Å; D153-E160 PolarHBondContact N-O 2.83Å; D153-E160 PolarHBondContact O-N 2.74Å; D153-L162 HydrophobicContact CB-CD1 4.05Å
154	Y	93.7	Very high	93.6	Very high	156 Å²	156	64.5 Å²	64.5	61%	0.612	36%	0.359	S	S	*	.			trans	-113.1	10.9	-179.4	-60.1	-77.5	0	0	0	111.8	T152 G156 D159	T152-Y154 HydrophobicContact CG2-CD1 4.14Å; T152-Y154 HydrophobicContact CG2-CD2 4.39Å; T152-Y154 HydrophobicContact CG2-CE1 3.55Å; T152-Y154 HydrophobicContact CG2-CE2 3.85Å; T152-Y154 WeakPolarHBondContact O-CD2 3.25Å; T152-Y154 WeakPolarHBondContact O-CE2 3.27Å; Y154-G156 VanDerWaalsContact C-N 3.31Å; Y154-D159 VanDerWaalsContact CD1-OD1 3.24Å; Y154-D159 WeakPolarHBondContact CD1-OD1 2.92Å; Y154-D159 HydrophobicContact CE1-CB 4.38Å; Y154-D159 VanDerWaalsContact CE1-CG 3.49Å; Y154-D159 WeakPolarHBondContact CE1-OD1 2.85Å; Y154-D159 WeakPolarHBondContact CE1-OD2 3.38Å
155	S	89.6	Confident	93.3	Very high	101 Å²	101	65.5 Å²	65.5	71%	0.706	37%	0.368	S	S	*	.	S	Bend	trans	-69.8	-29	-177.9	70.4	0	0	0	0	113.1	D153	D153-S155 VanDerWaalsContact CG-OG 3.24Å; D153-S155 WeakPolarHBondContact OD1-CB 3.46Å; D153-S155 PolarHBondContact OD1-N 2.87Å; D153-S155 PolarHBondContact OD1-OG 2.94Å; D153-S155 VanDerWaalsContact OD1-OG 3.11Å; D153-S155 PolarHBondContact OD2-OG 3.48Å
156	G	85.8	Confident	93.2	Very high	36 Å²	36	67.3 Å²	67.3	37%	0.371	38%	0.38	S	S	.	.	S	Bend	trans	-89.8	178.3	179.4	0	0	0	0	0	114.3	Y154 Y158	Y154-G156 VanDerWaalsContact C-N 3.31Å; G156-Y158 PolarHBondContact O-N 2.95Å
157	P	87.8	Confident	92.8	Very high	122 Å²	122	69.4 Å²	69.4	79%	0.792	39%	0.394	S	S	*	.	S	Bend	trans	-67.6	-12.3	174.1	27.8	-34.1	0	0	0	113.6
158	Y	90.6	Very high	92	Very high	184 Å²	184	75.4 Å²	75.4	72%	0.722	43%	0.429	S	S	*	.	S	Bend	trans	-132.5	150.9	179.1	-57.7	-72.1	0	0	0	110.4	G156 E160	G156-Y158 PolarHBondContact O-N 2.95Å; Y158-E160 PolarHBondContact O-N 3.1Å
159	D	93	Very high	91.8	Very high	113 Å²	113	73.7 Å²	73.7	60%	0.604	42%	0.418	S	S	*	.			trans	-69	117.5	173.6	-65.7	4.3	0	0	0	110.2	T152 Y154	T152-D159 HydrophobicContact CG2-CB 3.91Å; Y154-D159 VanDerWaalsContact CD1-OD1 3.24Å; Y154-D159 WeakPolarHBondContact CD1-OD1 2.92Å; Y154-D159 HydrophobicContact CE1-CB 4.38Å; Y154-D159 VanDerWaalsContact CE1-CG 3.49Å; Y154-D159 WeakPolarHBondContact CE1-OD1 2.85Å; Y154-D159 WeakPolarHBondContact CE1-OD2 3.38Å
160	E	94.4	Very high	91.6	Very high	97 Å²	97	76.7 Å²	76.7	45%	0.453	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	138.1	175.9	-64	-163.2	161.8	0	0	111.1	T152 D153 Y158	T152-E160 CarbonylContact C-O 3.53Å; T152-E160 VanDerWaalsContact CA-O 3.26Å; T152-E160 WeakPolarHBondContact CA-O 3.29Å; D153-E160 HydrophobicContact CB-CB 4.48Å; D153-E160 PolarHBondContact N-O 2.83Å; D153-E160 PolarHBondContact O-N 2.74Å; Y158-E160 PolarHBondContact O-N 3.1Å
161	V	96.3	Very high	91.5	Very high	31 Å²	31	79.8 Å²	79.8	19%	0.188	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	112.6	177.5	-177.3	0	0	0	0	108.8	R136 C138 S139 T150	R136-V161 HydrophobicContact CB-CG1 4.02Å; C138-V161 CarbonylContact C-O 3.48Å; C138-V161 VanDerWaalsContact CA-O 3.29Å; C138-V161 WeakPolarHBondContact CA-O 3.49Å; S139-V161 PolarHBondContact N-O 3.35Å; S139-V161 PolarHBondContact OG-N 3.14Å; S139-V161 PolarHBondContact OG-O 3.48Å; T150-V161 HydrophobicContact CG2-CG1 3.77Å
162	L	96.4	Very high	91.3	Very high	23 Å²	23	79.4 Å²	79.4	12%	0.12	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	141	178.7	-60.3	177.7	0	0	0	110.2	T150 I151 D153	T150-L162 CarbonylContact C-O 3.53Å; T150-L162 WeakPolarHBondContact CA-O 3.39Å; I151-L162 PolarHBondContact N-O 3.14Å; I151-L162 PolarHBondContact O-N 2.82Å; D153-L162 HydrophobicContact CB-CD1 4.05Å
163	C	95.4	Very high	91	Very high	1 Å²	1	81.2 Å²	81.2	1%	0.007	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	158.1	168.4	73.6	0	0	0	0	110.1	Q125 C138 C141 C145 C149 S165 C166 S167	Q125-C163 HydrophobicContact CG-CB 4.09Å; Q125-C163 PolarHBondContact NE2-SG 3.34Å; C138-C163 HydrophobicContact CB-CB 4.11Å; C138-C163 PolarHBondContact SG-N 2.99Å; C141-C163 VanDerWaalsContact SG-SG 3.7Å; C145-C163 WeakPolarHBondContact SG-CB 3.19Å; C149-C163 WeakPolarHBondContact O-CA 3.4Å; C163-S165 PolarHBondContact O-N 2.86Å; C163-C166 PolarHBondContact O-N 3.03Å; C163-C166 PolarHBondContact SG-N 3Å; C163-C166 PolarHBondContact SG-SG 2.78Å; C163-S167 PolarHBondContact O-N 2.72Å; C163-S167 PolarHBondContact O-OG 2.64Å
164	C	91.1	Very high	90.9	Very high	53 Å²	53	83 Å²	83	36%	0.358	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-19.9	-178.7	-60.8	0	0	0	0	114.8	C149 S167	C149-C164 PolarHBondContact O-N 3.49Å; C149-C164 VanDerWaalsContact O-N 3.17Å; C149-C164 PolarHBondContact O-SG 2.88Å; C149-C164 VanDerWaalsContact O-SG 3.33Å; C164-S167 PolarHBondContact O-OG 3.46Å
165	S	90	Very high	90.7	Very high	71 Å²	71	77.8 Å²	77.8	50%	0.497	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-22.2	174	-50.8	0	0	0	0	114.2	Q125 C163 T168	Q125-S165 PolarHBondContact NE2-OG 3.1Å; Q125-S165 PolarHBondContact OE1-OG 3.43Å; C163-S165 PolarHBondContact O-N 2.86Å; S165-T168 PolarHBondContact O-OG1 3.4Å; S165-T168 VanDerWaalsContact O-OG1 3.11Å
166	C	92.7	Very high	90.8	Very high	39 Å²	39	76 Å²	76	26%	0.264	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-14.2	178.8	-70.6	0	0	0	0	112.4	C163 T168	C163-C166 PolarHBondContact O-N 3.03Å; C163-C166 PolarHBondContact SG-N 3Å; C163-C166 PolarHBondContact SG-SG 2.78Å; C166-T168 VanDerWaalsContact C-N 3.31Å
167	S	87.9	Confident	91.2	Very high	46 Å²	46	79.3 Å²	79.3	32%	0.322	45%	0.448	S	S	.	.			trans	-84.7	-3.5	176.4	63.4	0	0	0	0	113.9	I151 C163 C164	I151-S167 WeakPolarHBondContact CD1-OG 3.42Å; C163-S167 PolarHBondContact O-N 2.72Å; C163-S167 PolarHBondContact O-OG 2.64Å; C164-S167 PolarHBondContact O-OG 3.46Å
168	T	78.3	Confident	91.5	Very high	172 Å²	172	75.5 Å²	75.5	100%	1.055	42%	0.417	S	S	*	.			trans	-98.8	0	-178.4	50.4	0	0	0	0	111.9	S165 C166	S165-T168 PolarHBondContact O-OG1 3.4Å; S165-T168 VanDerWaalsContact O-OG1 3.11Å; C166-T168 VanDerWaalsContact C-N 3.31Å

Retrieved 168 of 168 residues in 294.3 ms (Link to these results)

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