A0A077Z229_TRITR Loading...

Zinc finger protein unc 98

AlphaFold DB , UniProt , Accession A0A077Z229, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 182 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	38.1	Very low	45.9	Very low	220 Å²	220	132.7 Å²	132.7	100%	1.084	69%	0.691	S	S	*	*				0	79.7	0	-97.6	177	47.9	0	0	103.4
2	D	41.5	Very low	45.9	Very low	152 Å²	152	126.8 Å²	126.8	81%	0.813	67%	0.667	S	S	*	*			trans	-101.4	101	-171.6	-59.7	-86.8	0	0	0	104.6	E4	D2-E4 PolarHBondContact O-N 3.48Å; D2-E4 VanDerWaalsContact O-N 3.07Å
3	E	44.8	Very low	45.3	Very low	172 Å²	172	131.5 Å²	131.5	80%	0.804	68%	0.679	S	S	*	*			trans	-68.4	101.3	173.2	-72.9	-177.1	154.9	0	0	107	D5	E3-D5 VanDerWaalsContact C-N 3.32Å; E3-D5 PolarHBondContact O-N 3.26Å
4	E	46.1	Very low	44.5	Very low	186 Å²	186	129.2 Å²	129.2	87%	0.869	69%	0.689	S	S	*	*			trans	-65.4	95.6	169.3	-64.1	-169.6	158.2	0	0	107.6	D2 E6	D2-E4 PolarHBondContact O-N 3.48Å; D2-E4 VanDerWaalsContact O-N 3.07Å; E4-E6 VanDerWaalsContact C-N 3.33Å; E4-E6 PolarHBondContact O-N 3.15Å
5	D	45.5	Very low	44.2	Very low	76 Å²	76	127.4 Å²	127.4	41%	0.406	69%	0.685	S	S	.	*			trans	-56.8	96.9	171.2	-80.2	-46.2	0	0	0	108.8	E3 V7	E3-D5 VanDerWaalsContact C-N 3.32Å; E3-D5 PolarHBondContact O-N 3.26Å; D5-V7 PolarHBondContact O-N 2.96Å
6	E	45.5	Very low	43.9	Very low	159 Å²	159	126.5 Å²	126.5	74%	0.743	69%	0.691	S	S	*	*			trans	-65.9	116.6	-178.1	-165.4	175.7	-177.6	0	0	109.7	E4 T8	E4-E6 VanDerWaalsContact C-N 3.33Å; E4-E6 PolarHBondContact O-N 3.15Å; E6-T8 HydrophobicContact CG-CG2 4.48Å; E6-T8 PolarHBondContact O-N 3.23Å
7	V	51.1	Low	43.9	Very low	79 Å²	79	127.2 Å²	127.2	48%	0.479	69%	0.694	S	S	.	*			trans	-69.8	97.3	174.6	177.9	0	0	0	0	107.8	D5 T9	D5-V7 PolarHBondContact O-N 2.96Å; V7-T9 PolarHBondContact O-N 3.38Å
8	T	49.7	Very low	43.9	Very low	76 Å²	76	127.8 Å²	127.8	47%	0.466	70%	0.702	S	S	.	*			trans	-86.3	108.6	177.1	49.3	0	0	0	0	109.8	E6	E6-T8 HydrophobicContact CG-CG2 4.48Å; E6-T8 PolarHBondContact O-N 3.23Å
9	T	47.5	Very low	44.1	Very low	90 Å²	90	126.7 Å²	126.7	55%	0.552	70%	0.699	S	S	*	*			trans	-88.1	112.4	177.4	-24.2	0	0	0	0	108.6	V7 Y62	V7-T9 PolarHBondContact O-N 3.38Å; T9-Y62 HydrophobicContact CG2-CD1 4.25Å; T9-Y62 HydrophobicContact CG2-CE1 4Å
10	T	50.4	Low	43.9	Very low	89 Å²	89	126.6 Å²	126.6	55%	0.546	70%	0.703	S	S	.	*			trans	-100.9	109.2	166.1	38.1	0	0	0	0	109.7	P61	T10-P61 PolarHBondContact OG1-O 3.4Å
11	L	45.1	Very low	44.2	Very low	161 Å²	161	122.1 Å²	122.1	84%	0.843	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-59.1	131.5	168.7	-86.5	149.6	0	0	0	109.4
12	P	46.2	Very low	44.9	Very low	62 Å²	62	119.8 Å²	119.8	40%	0.403	67%	0.665	S	S	.	*	P	Polyproline II helix	trans	-70.5	137.6	176.3	27.5	-26.9	0	0	0	109.7	E59 P61	P12-E59 VanDerWaalsContact CB-OE2 3.22Å; P12-E59 WeakPolarHBondContact CB-OE2 3.28Å; P12-P61 HydrophobicContact CB-CB 3.9Å; P12-P61 VanDerWaalsContact CD-CB 3.48Å; P12-P61 HydrophobicContact CG-CB 3.59Å; P12-P61 HydrophobicContact CG-CG 4.04Å
13	K	38	Very low	45.9	Very low	187 Å²	187	115.3 Å²	115.3	81%	0.813	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-80.1	119.1	167.1	-74.4	177.3	179	173.6	0	107.1	T15	K13-T15 PolarHBondContact O-N 3.32Å
14	A	34.5	Very low	46.6	Very low	100 Å²	100	113.2 Å²	113.2	83%	0.826	63%	0.629	S	S	*	*			trans	-54.2	113.7	175.5	0	0	0	0	0	110.9
15	T	39.3	Very low	47.3	Very low	102 Å²	102	111.6 Å²	111.6	63%	0.626	62%	0.615	S	S	*	*			trans	-111.7	104.8	163.5	56.6	0	0	0	0	108.6	K13 D17	K13-T15 PolarHBondContact O-N 3.32Å; T15-D17 PolarHBondContact O-N 3.08Å
16	S	38.7	Very low	48.1	Very low	113 Å²	113	110.2 Å²	110.2	79%	0.79	61%	0.608	S	S	*	*			trans	-91.2	84	173.4	70	0	0	0	0	109.7
17	D	44.5	Very low	48.7	Very low	138 Å²	138	108.1 Å²	108.1	74%	0.738	60%	0.602	S	S	*	*			trans	-113.8	99.9	164.6	-74	-45	0	0	0	108.4	T15 V19	T15-D17 PolarHBondContact O-N 3.08Å; D17-V19 VanDerWaalsContact C-N 3.29Å; D17-V19 PolarHBondContact O-N 2.78Å
18	V	44.4	Very low	48.9	Very low	139 Å²	139	110.9 Å²	110.9	84%	0.842	60%	0.604	S	S	*	*			trans	-70.7	89.4	172.9	-177.1	0	0	0	0	107.5	T20	V18-T20 PolarHBondContact O-N 2.97Å
19	V	46.9	Very low	49.3	Very low	106 Å²	106	113.1 Å²	113.1	64%	0.642	62%	0.62	S	S	*	*			trans	-73.2	114.2	171.8	-178.4	0	0	0	0	107.8	D17 V21	D17-V19 VanDerWaalsContact C-N 3.29Å; D17-V19 PolarHBondContact O-N 2.78Å; V19-V21 VanDerWaalsContact C-N 3.34Å; V19-V21 HydrophobicContact CB-CG2 4.4Å; V19-V21 HydrophobicContact CG1-CG2 4.06Å; V19-V21 PolarHBondContact O-N 3.37Å
20	T	40.2	Very low	49.6	Very low	125 Å²	125	116.5 Å²	116.5	77%	0.767	64%	0.635	S	S	*	*			trans	-67.4	97	168	43.3	0	0	0	0	109.1	V18 E22	V18-T20 PolarHBondContact O-N 2.97Å; T20-E22 PolarHBondContact O-N 3.18Å
21	V	51.5	Low	49.9	Very low	33 Å²	33	115.6 Å²	115.6	20%	0.2	63%	0.627	C	S	.	*			trans	-78.2	97.3	-177.9	148.4	0	0	0	0	108.8	V19 Q23 R37 F38 E53	V19-V21 VanDerWaalsContact C-N 3.34Å; V19-V21 HydrophobicContact CB-CG2 4.4Å; V19-V21 HydrophobicContact CG1-CG2 4.06Å; V19-V21 PolarHBondContact O-N 3.37Å; V21-Q23 HydrophobicContact CG1-CG 4.29Å; V21-Q23 PolarHBondContact O-N 3.47Å; V21-R37 VanDerWaalsContact CB-CZ 3.41Å; V21-R37 PolarHBondContact O-NH2 3.18Å; V21-F38 HydrophobicContact CG2-CE2 4.4Å; V21-F38 HydrophobicContact CG2-CZ 4.15Å; V21-E53 WeakPolarHBondContact CG1-OE1 3.21Å
22	E	51.9	Low	50.6	Low	170 Å²	170	110.8 Å²	110.8	79%	0.794	61%	0.605	S	S	*	*			trans	-66.1	101.2	171.8	-66.7	-169	133.9	0	0	113.1	T20 R37	T20-E22 PolarHBondContact O-N 3.18Å; E22-R37 PolarHBondContact O-NH2 3.41Å
23	Q	61.7	Low	51.9	Low	58 Å²	58	108.3 Å²	108.3	27%	0.271	59%	0.589	S	S	.	*			trans	-74.1	132.5	-170.1	-69.8	150.5	-31.4	0	0	112.6	V21 R25 L46 L49 K50 E53	V21-Q23 HydrophobicContact CG1-CG 4.29Å; V21-Q23 PolarHBondContact O-N 3.47Å; Q23-R25 PolarHBondContact O-N 3.46Å; Q23-L46 HydrophobicContact CB-CD1 4.46Å; Q23-L46 HydrophobicContact CG-CD1 4.45Å; Q23-L46 VanDerWaalsContact OE1-CD1 3.3Å; Q23-L49 HydrophobicContact CB-CD2 4.27Å; Q23-L49 HydrophobicContact CG-CD2 3.93Å; Q23-K50 VanDerWaalsContact NE2-CG 3.32Å; Q23-E53 PolarHBondContact NE2-OE2 3.47Å
24	Q	59.8	Low	53.5	Low	128 Å²	128	101.7 Å²	101.7	60%	0.598	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.1	111.7	175.8	-73	-174.4	-34.1	0	0	110.5	K35	Q24-K35 PolarHBondContact O-N 3.09Å
25	R	61.6	Low	55.2	Low	153 Å²	153	100.9 Å²	100.9	58%	0.577	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	125.6	168.5	179.1	177.3	154.1	168.9	-2.8	108.8	Q23 D27	Q23-R25 PolarHBondContact O-N 3.46Å; R25-D27 IonicContact CZ-OD1 3.27Å; R25-D27 VanDerWaalsContact CZ-OD1 3.27Å; R25-D27 IonicContact NE-OD1 2.84Å; R25-D27 PolarHBondContact NE-OD1 3.32Å; R25-D27 IonicContact NH2-OD1 3.08Å; R25-D27 PolarHBondContact NH2-OD1 3.45Å
26	L	61	Low	56.8	Low	46 Å²	46	96.1 Å²	96.1	24%	0.241	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	113.6	171.2	-61.9	174.5	0	0	0	108.1	Y28 T33 K35 V42	L26-Y28 VanDerWaalsContact C-N 3.32Å; L26-Y28 HydrophobicContact CB-CD2 3.79Å; L26-Y28 HydrophobicContact CB-CE2 3.43Å; L26-Y28 VanDerWaalsContact CB-CE2 3.43Å; L26-Y28 HydrophobicContact CD1-CE2 3.76Å; L26-Y28 HydrophobicContact CG-CE2 4.19Å; L26-Y28 PolarHBondContact O-N 2.84Å; L26-T33 PolarHBondContact N-O 3.19Å; L26-T33 PolarHBondContact O-N 3.28Å; L26-K35 HydrophobicContact CD1-CB 4.17Å; L26-V42 HydrophobicContact CD1-CG2 4.49Å
27	D	58.3	Low	58.4	Low	116 Å²	116	95.9 Å²	95.9	62%	0.62	49%	0.489	S	S	*	.			trans	-80	79.6	177.9	-72.2	-55.9	0	0	0	110.4	R25	R25-D27 IonicContact CZ-OD1 3.27Å; R25-D27 VanDerWaalsContact CZ-OD1 3.27Å; R25-D27 IonicContact NE-OD1 2.84Å; R25-D27 PolarHBondContact NE-OD1 3.32Å; R25-D27 IonicContact NH2-OD1 3.08Å; R25-D27 PolarHBondContact NH2-OD1 3.45Å
28	Y	56.7	Low	59.5	Low	137 Å²	137	94.3 Å²	94.3	54%	0.537	48%	0.476	S	S	.	.			trans	-84.8	134.7	163.5	-63.7	-80.3	0	0	0	109.3	L26 N30 D31 T33	L26-Y28 VanDerWaalsContact C-N 3.32Å; L26-Y28 HydrophobicContact CB-CD2 3.79Å; L26-Y28 HydrophobicContact CB-CE2 3.43Å; L26-Y28 VanDerWaalsContact CB-CE2 3.43Å; L26-Y28 HydrophobicContact CD1-CE2 3.76Å; L26-Y28 HydrophobicContact CG-CE2 4.19Å; L26-Y28 PolarHBondContact O-N 2.84Å; Y28-N30 PolarHBondContact O-N 2.72Å; Y28-D31 PolarHBondContact O-N 3.01Å; Y28-T33 WeakPolarHBondContact CD2-OG1 3.48Å; Y28-T33 WeakPolarHBondContact CE2-OG1 3.35Å
29	P	56.6	Low	60.7	Low	122 Å²	122	90.5 Å²	90.5	79%	0.792	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-6.7	-165.7	19.9	-31.2	0	0	0	116.2
30	N	53.7	Low	61.7	Low	162 Å²	162	87 Å²	87	87%	0.866	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.2	-1.4	-179.6	-72.2	-46	0	0	0	115.1	Y28	Y28-N30 PolarHBondContact O-N 2.72Å
31	D	57.1	Low	63.1	Low	70 Å²	70	83 Å²	83	37%	0.374	41%	0.414	S	S	.	.			trans	-156.9	95	-178.8	-158.8	-8.6	0	0	0	109.1	Y28 T33 N44	Y28-D31 PolarHBondContact O-N 3.01Å; D31-T33 PolarHBondContact O-N 3.2Å; D31-T33 VanDerWaalsContact O-N 3.1Å; D31-N44 PolarHBondContact OD2-ND2 3.35Å
32	P	59.3	Low	64.1	Low	60 Å²	60	84.6 Å²	84.6	39%	0.39	42%	0.423	S	S	.	.			trans	-63.6	116	177.6	25.4	-30.9	0	0	0	108.9
33	T	74.9	Confident	64.9	Low	10 Å²	10	77.7 Å²	77.7	6%	0.061	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	157.3	179.6	62.3	0	0	0	0	111.7	L26 Y28 D31 V42 Y43	L26-T33 PolarHBondContact N-O 3.19Å; L26-T33 PolarHBondContact O-N 3.28Å; Y28-T33 WeakPolarHBondContact CD2-OG1 3.48Å; Y28-T33 WeakPolarHBondContact CE2-OG1 3.35Å; D31-T33 PolarHBondContact O-N 3.2Å; D31-T33 VanDerWaalsContact O-N 3.1Å; T33-V42 HydrophobicContact CG2-CG1 3.91Å; T33-V42 WeakPolarHBondContact OG1-CG1 3.29Å; T33-Y43 CarbonylContact C-O 3.52Å; T33-Y43 WeakPolarHBondContact CA-O 3.31Å
34	Y	71.2	Confident	65.3	Low	48 Å²	48	78.4 Å²	78.4	19%	0.188	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125.9	-176.5	-59.1	-86.8	0	0	0	109.2	V42 Y43 L46	Y34-V42 CarbonylContact O-C 3.57Å; Y34-V42 WeakPolarHBondContact O-CA 3.29Å; Y34-Y43 PolarHBondContact N-O 2.92Å; Y34-Y43 PolarHBondContact O-N 3.18Å; Y34-L46 HydrophobicContact CD1-CB 4.38Å; Y34-L46 HydrophobicContact CD1-CD1 3.65Å; Y34-L46 HydrophobicContact CD2-CB 4.26Å; Y34-L46 HydrophobicContact CE1-CB 4.01Å; Y34-L46 HydrophobicContact CE1-CD1 3.76Å; Y34-L46 HydrophobicContact CE1-CG 4.31Å; Y34-L46 HydrophobicContact CE2-CB 3.89Å; Y34-L46 VanDerWaalsContact CE2-N 3.28Å; Y34-L46 HydrophobicContact CG-CB 4.47Å; Y34-L46 HydrophobicContact CG-CD1 4.15Å
35	K	71.2	Confident	65.9	Low	83 Å²	83	79.4 Å²	79.4	36%	0.361	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	129.7	-177.6	-171.9	178.1	178.1	-178.4	0	110.7	Q24 L26 R37 L41 V42	Q24-K35 PolarHBondContact O-N 3.09Å; L26-K35 HydrophobicContact CD1-CB 4.17Å; K35-R37 PolarHBondContact O-N 3.04Å; K35-L41 CarbonylContact C-O 3.5Å; K35-L41 WeakPolarHBondContact CA-O 3.27Å; K35-V42 HydrophobicContact CB-CG2 4.47Å; K35-V42 HydrophobicContact CG-CG2 4.29Å
36	C	72.4	Confident	66.6	Low	1 Å²	1	74.7 Å²	74.7	1%	0.007	38%	0.381	C	S	.	.			trans	-68.6	128.4	170.5	-176.8	0	0	0	0	110	F38 C39 G40 L41 Y43 L49 H52 H56	C36-F38 VanDerWaalsContact C-N 3.27Å; C36-F38 PolarHBondContact O-N 2.74Å; C36-F38 PolarHBondContact SG-N 3.5Å; C36-C39 VanDerWaalsContact SG-SG 3.65Å; C36-G40 WeakPolarHBondContact O-CA 3.43Å; C36-G40 PolarHBondContact O-N 3.08Å; C36-L41 PolarHBondContact N-O 3.05Å; C36-Y43 HydrophobicContact CB-CE2 4.31Å; C36-L49 HydrophobicContact CB-CD1 3.61Å; C36-H52 VanDerWaalsContact SG-CD2 3.56Å; C36-H52 PolarHBondContact SG-NE2 2.87Å; C36-H56 VanDerWaalsContact SG-CD2 3.52Å; C36-H56 PolarHBondContact SG-NE2 3.34Å; C36-H56 VanDerWaalsContact SG-NE2 3.38Å
37	R	72.2	Confident	67.3	Low	108 Å²	108	77.7 Å²	77.7	41%	0.408	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-26.2	179.3	75	-178.7	66.7	-140.3	-15.4	113.4	V21 E22 K35	V21-R37 VanDerWaalsContact CB-CZ 3.41Å; V21-R37 PolarHBondContact O-NH2 3.18Å; E22-R37 PolarHBondContact O-NH2 3.41Å; K35-R37 PolarHBondContact O-N 3.04Å
38	F	66.9	Low	68.1	Low	106 Å²	106	74.5 Å²	74.5	47%	0.465	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-38	-170.2	-60.2	-71.7	0	0	0	112.3	V21 C36 H56	V21-F38 HydrophobicContact CG2-CE2 4.4Å; V21-F38 HydrophobicContact CG2-CZ 4.15Å; C36-F38 VanDerWaalsContact C-N 3.27Å; C36-F38 PolarHBondContact O-N 2.74Å; C36-F38 PolarHBondContact SG-N 3.5Å; F38-H56 HydrophobicContact CB-CB 4.24Å; F38-H56 HydrophobicContact CD2-CB 3.67Å; F38-H56 AromaticContact CD2-CD2 3.61Å; F38-H56 AromaticContact CD2-CG 3.65Å; F38-H56 HydrophobicContact CE2-CB 4.12Å; F38-H56 HydrophobicContact CG-CB 3.94Å; F38-H56 AromaticContact CG-CD2 3.95Å; F38-H56 AromaticContact CG-CG 3.74Å
39	C	69.5	Low	68.9	Low	59 Å²	59	68 Å²	68	40%	0.399	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-5.5	-178.9	62.6	0	0	0	0	114.5	C36 L41 H52 H56	C36-C39 VanDerWaalsContact SG-SG 3.65Å; C39-L41 HydrophobicContact CB-CG 4.4Å; C39-L41 PolarHBondContact O-N 3.41Å; C39-L41 VanDerWaalsContact SG-CD1 3.54Å; C39-L41 WeakPolarHBondContact SG-CG 3.4Å; C39-H52 PolarHBondContact SG-NE2 3.1Å; C39-H56 PolarHBondContact SG-NE2 3.31Å
40	G	68	Low	69.7	Low	31 Å²	31	67.2 Å²	67.2	32%	0.32	35%	0.345	S	S	.	.			trans	75.1	2.5	-179.2	0	0	0	0	0	115.4	C36	C36-G40 WeakPolarHBondContact O-CA 3.43Å; C36-G40 PolarHBondContact O-N 3.08Å
41	L	70.2	Confident	70.6	Confident	42 Å²	42	62 Å²	62	22%	0.22	33%	0.325	C	S	.	.			trans	-62.5	142.5	176.5	-69.3	173.4	0	0	0	111.5	K35 C36 C39 Y43 F146	K35-L41 CarbonylContact C-O 3.5Å; K35-L41 WeakPolarHBondContact CA-O 3.27Å; C36-L41 PolarHBondContact N-O 3.05Å; C39-L41 HydrophobicContact CB-CG 4.4Å; C39-L41 PolarHBondContact O-N 3.41Å; C39-L41 VanDerWaalsContact SG-CD1 3.54Å; C39-L41 WeakPolarHBondContact SG-CG 3.4Å; L41-Y43 HydrophobicContact CB-CE2 3.74Å; L41-Y43 WeakPolarHBondContact CD1-OH 3.34Å; L41-F146 HydrophobicContact CD1-CD1 3.81Å; L41-F146 HydrophobicContact CD1-CE1 3.48Å; L41-F146 VanDerWaalsContact CD1-CE1 3.48Å; L41-F146 HydrophobicContact CD2-CD1 3.98Å; L41-F146 HydrophobicContact CD2-CE1 3.63Å; L41-F146 HydrophobicContact CD2-CZ 4.08Å; L41-F146 HydrophobicContact CG-CE1 4.23Å
42	V	72.2	Confident	71.3	Confident	66 Å²	66	59.9 Å²	59.9	40%	0.4	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.5	-174.5	-178.6	0	0	0	0	110.1	L26 T33 Y34 K35	L26-V42 HydrophobicContact CD1-CG2 4.49Å; T33-V42 HydrophobicContact CG2-CG1 3.91Å; T33-V42 WeakPolarHBondContact OG1-CG1 3.29Å; Y34-V42 CarbonylContact O-C 3.57Å; Y34-V42 WeakPolarHBondContact O-CA 3.29Å; K35-V42 HydrophobicContact CB-CG2 4.47Å; K35-V42 HydrophobicContact CG-CG2 4.29Å
43	Y	68.3	Low	71.7	Confident	25 Å²	25	57.8 Å²	57.8	10%	0.098	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139.6	-176.9	-63.4	-87.3	0	0	0	110.7	T33 Y34 C36 L41 Y45 L49 H52	T33-Y43 CarbonylContact C-O 3.52Å; T33-Y43 WeakPolarHBondContact CA-O 3.31Å; Y34-Y43 PolarHBondContact N-O 2.92Å; Y34-Y43 PolarHBondContact O-N 3.18Å; C36-Y43 HydrophobicContact CB-CE2 4.31Å; L41-Y43 HydrophobicContact CB-CE2 3.74Å; L41-Y43 WeakPolarHBondContact CD1-OH 3.34Å; Y43-Y45 VanDerWaalsContact C-N 3.3Å; Y43-Y45 PolarHBondContact O-N 2.91Å; Y43-L49 HydrophobicContact CD2-CB 4.01Å; Y43-L49 HydrophobicContact CD2-CD1 3.63Å; Y43-L49 HydrophobicContact CD2-CG 4.43Å; Y43-L49 HydrophobicContact CE2-CD1 3.94Å; Y43-L49 HydrophobicContact CG-CB 4.19Å; Y43-H52 HydrophobicContact CE1-CB 4Å; Y43-H52 HydrophobicContact CE2-CB 3.98Å; Y43-H52 AromaticContact CE2-CD2 3.34Å; Y43-H52 WeakPolarHBondContact CE2-CD2 3.43Å; Y43-H52 AromaticContact CE2-CG 3.64Å; Y43-H52 AromaticContact CE2-NE2 3.89Å; Y43-H52 AromaticContact CZ-CD2 3.56Å; Y43-H52 AromaticContact CZ-CG 3.34Å; Y43-H52 AromaticContact CZ-ND1 3.8Å; Y43-H52 PolarHBondContact OH-CD2 3.32Å; Y43-H52 VanDerWaalsContact OH-CD2 3.29Å; Y43-H52 PolarHBondContact OH-CE1 2.98Å; Y43-H52 VanDerWaalsContact OH-CE1 3.23Å; Y43-H52 PolarHBondContact OH-ND1 3.22Å; Y43-H52 PolarHBondContact OH-NE2 3.24Å
44	N	69.8	Low	71.3	Confident	74 Å²	74	65.9 Å²	65.9	40%	0.396	33%	0.327	S	S	.	.	S	Bend	trans	-80.1	-12.9	-180	-61.9	14.8	0	0	0	112.9	D31	D31-N44 PolarHBondContact OD2-ND2 3.35Å
45	Y	73.8	Confident	71	Confident	148 Å²	148	67.3 Å²	67.3	58%	0.58	34%	0.34	S	S	*	.	S	Bend	trans	-129.7	139.9	176.6	-56	-87.1	0	0	0	111.3	Y43 T47 T48 L49	Y43-Y45 VanDerWaalsContact C-N 3.3Å; Y43-Y45 PolarHBondContact O-N 2.91Å; Y45-T47 PolarHBondContact O-N 2.96Å; Y45-T48 WeakPolarHBondContact CB-OG1 3.49Å; Y45-T48 PolarHBondContact N-OG1 3.41Å; Y45-T48 PolarHBondContact O-N 3.35Å; Y45-T48 PolarHBondContact O-OG1 3.23Å; Y45-L49 PolarHBondContact O-N 2.96Å
46	L	75.9	Confident	70.8	Confident	55 Å²	55	66.6 Å²	66.6	29%	0.288	34%	0.338	S	S	.	.	H	α-helix	trans	-60.9	-35.6	176.1	-172.7	58.8	0	0	0	112.1	Q23 Y34 T48 L49 K50	Q23-L46 HydrophobicContact CB-CD1 4.46Å; Q23-L46 HydrophobicContact CG-CD1 4.45Å; Q23-L46 VanDerWaalsContact OE1-CD1 3.3Å; Y34-L46 HydrophobicContact CD1-CB 4.38Å; Y34-L46 HydrophobicContact CD1-CD1 3.65Å; Y34-L46 HydrophobicContact CD2-CB 4.26Å; Y34-L46 HydrophobicContact CE1-CB 4.01Å; Y34-L46 HydrophobicContact CE1-CD1 3.76Å; Y34-L46 HydrophobicContact CE1-CG 4.31Å; Y34-L46 HydrophobicContact CE2-CB 3.89Å; Y34-L46 VanDerWaalsContact CE2-N 3.28Å; Y34-L46 HydrophobicContact CG-CB 4.47Å; Y34-L46 HydrophobicContact CG-CD1 4.15Å; L46-T48 VanDerWaalsContact C-N 3.33Å; L46-T48 PolarHBondContact O-N 3.07Å; L46-L49 HydrophobicContact CD1-CD2 4.48Å; L46-L49 PolarHBondContact O-N 3.09Å; L46-K50 HydrophobicContact CG-CD 4.42Å; L46-K50 WeakPolarHBondContact O-CB 3.49Å; L46-K50 WeakPolarHBondContact O-CG 3.25Å; L46-K50 PolarHBondContact O-N 3.4Å
47	T	76	Confident	70.3	Confident	108 Å²	108	72.3 Å²	72.3	66%	0.663	37%	0.369	S	S	*	.	H	α-helix	trans	-63.4	-39.4	177.4	49.2	0	0	0	0	111.8	Y45 A51	Y45-T47 PolarHBondContact O-N 2.96Å; T47-A51 WeakPolarHBondContact O-CB 3.06Å; T47-A51 PolarHBondContact O-N 3.25Å
48	T	73.5	Confident	69.7	Low	50 Å²	50	68.6 Å²	68.6	31%	0.307	36%	0.358	S	S	.	.	H	α-helix	trans	-69.1	-41.2	173.4	34.7	0	0	0	0	112.3	Y45 L46 K50 A51 H52	Y45-T48 WeakPolarHBondContact CB-OG1 3.49Å; Y45-T48 PolarHBondContact N-OG1 3.41Å; Y45-T48 PolarHBondContact O-N 3.35Å; Y45-T48 PolarHBondContact O-OG1 3.23Å; L46-T48 VanDerWaalsContact C-N 3.33Å; L46-T48 PolarHBondContact O-N 3.07Å; T48-K50 PolarHBondContact O-N 3.32Å; T48-A51 PolarHBondContact O-N 3.19Å; T48-H52 WeakPolarHBondContact O-CB 3.34Å; T48-H52 PolarHBondContact O-N 3.34Å
49	L	75.3	Confident	69.3	Low	0 Å²	0	68 Å²	68	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-59.7	-48.7	173.9	173.6	62.9	0	0	0	110.7	Q23 C36 Y43 Y45 L46 A51 H52 E53	Q23-L49 HydrophobicContact CB-CD2 4.27Å; Q23-L49 HydrophobicContact CG-CD2 3.93Å; C36-L49 HydrophobicContact CB-CD1 3.61Å; Y43-L49 HydrophobicContact CD2-CB 4.01Å; Y43-L49 HydrophobicContact CD2-CD1 3.63Å; Y43-L49 HydrophobicContact CD2-CG 4.43Å; Y43-L49 HydrophobicContact CE2-CD1 3.94Å; Y43-L49 HydrophobicContact CG-CB 4.19Å; Y45-L49 PolarHBondContact O-N 2.96Å; L46-L49 HydrophobicContact CD1-CD2 4.48Å; L46-L49 PolarHBondContact O-N 3.09Å; L49-A51 VanDerWaalsContact C-N 3.32Å; L49-A51 PolarHBondContact O-N 3.34Å; L49-H52 CarbonylContact O-C 3.36Å; L49-H52 WeakPolarHBondContact O-CA 3.5Å; L49-H52 WeakPolarHBondContact O-CB 3.43Å; L49-H52 PolarHBondContact O-N 2.83Å; L49-H52 VanDerWaalsContact O-N 3.08Å; L49-E53 HydrophobicContact CD1-CG 3.9Å; L49-E53 HydrophobicContact CG-CG 4.19Å; L49-E53 WeakPolarHBondContact O-CG 3.35Å; L49-E53 PolarHBondContact O-N 3.14Å
50	K	72.8	Confident	69.2	Low	105 Å²	105	69.4 Å²	69.4	46%	0.457	36%	0.357	S	S	.	.	H	α-helix	trans	-61.1	-39.3	179.4	-76.9	-176.8	175.8	-174.7	0	112.7	Q23 L46 T48 H52 E53 R54	Q23-K50 VanDerWaalsContact NE2-CG 3.32Å; L46-K50 HydrophobicContact CG-CD 4.42Å; L46-K50 WeakPolarHBondContact O-CB 3.49Å; L46-K50 WeakPolarHBondContact O-CG 3.25Å; L46-K50 PolarHBondContact O-N 3.4Å; T48-K50 PolarHBondContact O-N 3.32Å; K50-H52 VanDerWaalsContact C-N 3.31Å; K50-E53 PolarHBondContact O-N 2.94Å; K50-R54 WeakPolarHBondContact O-CG 3.32Å; K50-R54 PolarHBondContact O-N 3.07Å
51	A	71.8	Confident	69.2	Low	54 Å²	54	68.9 Å²	68.9	45%	0.446	35%	0.349	S	S	.	.	H	α-helix	trans	-65.6	-38	175	0	0	0	0	0	111.5	T47 T48 L49 R54	T47-A51 WeakPolarHBondContact O-CB 3.06Å; T47-A51 PolarHBondContact O-N 3.25Å; T48-A51 PolarHBondContact O-N 3.19Å; L49-A51 VanDerWaalsContact C-N 3.32Å; L49-A51 PolarHBondContact O-N 3.34Å; A51-R54 WeakPolarHBondContact O-CB 3.46Å
52	H	72.9	Confident	69.2	Low	25 Å²	25	70 Å²	70	12%	0.116	35%	0.35	C	S	.	.	H	α-helix	trans	-69.5	-40.8	174.1	164	73.8	0	0	0	112.8	C36 C39 Y43 T48 L49 K50 R54 V55 H56	C36-H52 VanDerWaalsContact SG-CD2 3.56Å; C36-H52 PolarHBondContact SG-NE2 2.87Å; C39-H52 PolarHBondContact SG-NE2 3.1Å; Y43-H52 HydrophobicContact CE1-CB 4Å; Y43-H52 HydrophobicContact CE2-CB 3.98Å; Y43-H52 AromaticContact CE2-CD2 3.34Å; Y43-H52 WeakPolarHBondContact CE2-CD2 3.43Å; Y43-H52 AromaticContact CE2-CG 3.64Å; Y43-H52 AromaticContact CE2-NE2 3.89Å; Y43-H52 AromaticContact CZ-CD2 3.56Å; Y43-H52 AromaticContact CZ-CG 3.34Å; Y43-H52 AromaticContact CZ-ND1 3.8Å; Y43-H52 PolarHBondContact OH-CD2 3.32Å; Y43-H52 VanDerWaalsContact OH-CD2 3.29Å; Y43-H52 PolarHBondContact OH-CE1 2.98Å; Y43-H52 VanDerWaalsContact OH-CE1 3.23Å; Y43-H52 PolarHBondContact OH-ND1 3.22Å; Y43-H52 PolarHBondContact OH-NE2 3.24Å; T48-H52 WeakPolarHBondContact O-CB 3.34Å; T48-H52 PolarHBondContact O-N 3.34Å; L49-H52 CarbonylContact O-C 3.36Å; L49-H52 WeakPolarHBondContact O-CA 3.5Å; L49-H52 WeakPolarHBondContact O-CB 3.43Å; L49-H52 PolarHBondContact O-N 2.83Å; L49-H52 VanDerWaalsContact O-N 3.08Å; K50-H52 VanDerWaalsContact C-N 3.31Å; H52-R54 PolarHBondContact O-N 2.89Å; H52-R54 VanDerWaalsContact O-N 3.14Å; H52-V55 WeakPolarHBondContact O-CA 3.48Å; H52-V55 WeakPolarHBondContact O-CB 3.45Å; H52-V55 WeakPolarHBondContact O-CG2 3.27Å; H52-V55 PolarHBondContact O-N 3.24Å; H52-H56 AromaticContact CE1-CD2 3.99Å; H52-H56 AromaticContact CE1-NE2 3.37Å; H52-H56 PolarHBondContact CE1-NE2 2.88Å; H52-H56 AromaticContact NE2-CD2 3.67Å; H52-H56 AromaticContact NE2-NE2 3.13Å; H52-H56 PolarHBondContact NE2-NE2 3.02Å; H52-H56 VanDerWaalsContact NE2-NE2 3.13Å
53	E	67.6	Low	68.6	Low	15 Å²	15	69.6 Å²	69.6	7%	0.07	35%	0.348	C	S	.	.	H	α-helix	trans	-58.9	-30.1	179.1	-75.9	177.8	146.3	0	0	111.6	V21 Q23 L49 K50 V55 H56 D57	V21-E53 WeakPolarHBondContact CG1-OE1 3.21Å; Q23-E53 PolarHBondContact NE2-OE2 3.47Å; L49-E53 HydrophobicContact CD1-CG 3.9Å; L49-E53 HydrophobicContact CG-CG 4.19Å; L49-E53 WeakPolarHBondContact O-CG 3.35Å; L49-E53 PolarHBondContact O-N 3.14Å; K50-E53 PolarHBondContact O-N 2.94Å; E53-V55 PolarHBondContact O-N 3.22Å; E53-V55 VanDerWaalsContact O-N 3.13Å; E53-H56 WeakPolarHBondContact O-CB 3.37Å; E53-H56 PolarHBondContact O-N 3.47Å; E53-D57 PolarHBondContact O-N 3.23Å
54	R	66.9	Low	68.6	Low	181 Å²	181	68.5 Å²	68.5	68%	0.683	34%	0.344	S	S	*	.	H	α-helix	trans	-61.5	-18.7	171.2	-63.2	176.1	-170	176.1	0.8	114.1	K50 A51 H52 H56 V58	K50-R54 WeakPolarHBondContact O-CG 3.32Å; K50-R54 PolarHBondContact O-N 3.07Å; A51-R54 WeakPolarHBondContact O-CB 3.46Å; H52-R54 PolarHBondContact O-N 2.89Å; H52-R54 VanDerWaalsContact O-N 3.14Å; R54-H56 VanDerWaalsContact C-N 3.32Å; R54-V58 WeakPolarHBondContact O-CG2 3.5Å
55	V	64.5	Low	68.8	Low	77 Å²	77	69 Å²	69	47%	0.467	36%	0.358	S	S	.	.	H	α-helix	trans	-77.5	-21.9	173.1	-49.7	0	0	0	0	112	H52 E53 V58	H52-V55 WeakPolarHBondContact O-CA 3.48Å; H52-V55 WeakPolarHBondContact O-CB 3.45Å; H52-V55 WeakPolarHBondContact O-CG2 3.27Å; H52-V55 PolarHBondContact O-N 3.24Å; E53-V55 PolarHBondContact O-N 3.22Å; E53-V55 VanDerWaalsContact O-N 3.13Å; V55-V58 WeakPolarHBondContact O-CB 3.44Å
56	H	66.2	Low	68.4	Low	68 Å²	68	67.6 Å²	67.6	32%	0.315	36%	0.355	S	S	.	.	H	α-helix	trans	-82.1	-28.5	173.5	-69.4	-64.4	0	0	0	112.1	C36 F38 C39 H52 E53 R54 V58	C36-H56 VanDerWaalsContact SG-CD2 3.52Å; C36-H56 PolarHBondContact SG-NE2 3.34Å; C36-H56 VanDerWaalsContact SG-NE2 3.38Å; F38-H56 HydrophobicContact CB-CB 4.24Å; F38-H56 HydrophobicContact CD2-CB 3.67Å; F38-H56 AromaticContact CD2-CD2 3.61Å; F38-H56 AromaticContact CD2-CG 3.65Å; F38-H56 HydrophobicContact CE2-CB 4.12Å; F38-H56 HydrophobicContact CG-CB 3.94Å; F38-H56 AromaticContact CG-CD2 3.95Å; F38-H56 AromaticContact CG-CG 3.74Å; C39-H56 PolarHBondContact SG-NE2 3.31Å; H52-H56 AromaticContact CE1-CD2 3.99Å; H52-H56 AromaticContact CE1-NE2 3.37Å; H52-H56 PolarHBondContact CE1-NE2 2.88Å; H52-H56 AromaticContact NE2-CD2 3.67Å; H52-H56 AromaticContact NE2-NE2 3.13Å; H52-H56 PolarHBondContact NE2-NE2 3.02Å; H52-H56 VanDerWaalsContact NE2-NE2 3.13Å; E53-H56 WeakPolarHBondContact O-CB 3.37Å; E53-H56 PolarHBondContact O-N 3.47Å; R54-H56 VanDerWaalsContact C-N 3.32Å; H56-V58 PolarHBondContact O-N 3.14Å
57	D	61.7	Low	68.1	Low	122 Å²	122	67.9 Å²	67.9	65%	0.652	36%	0.361	S	S	*	.	S	Bend	trans	-75.4	-0.4	169.2	-67.7	-28	0	0	0	112.8	E53 E59	E53-D57 PolarHBondContact O-N 3.23Å; D57-E59 PolarHBondContact O-N 3.2Å
58	V	60	Low	67.4	Low	30 Å²	30	65.1 Å²	65.1	18%	0.182	35%	0.353	C	S	.	.			trans	-73.3	99.3	172.6	179.8	0	0	0	0	107.3	R54 V55 H56 E60 R72	R54-V58 WeakPolarHBondContact O-CG2 3.5Å; V55-V58 WeakPolarHBondContact O-CB 3.44Å; H56-V58 PolarHBondContact O-N 3.14Å; V58-E60 HydrophobicContact CG1-CG 4.05Å; V58-E60 PolarHBondContact O-N 3.4Å; V58-R72 HydrophobicContact CG1-CB 3.88Å; V58-R72 HydrophobicContact CG1-CG 3.61Å
59	E	59	Low	67	Low	92 Å²	92	67.3 Å²	67.3	43%	0.43	36%	0.363	S	S	.	.			trans	-54.7	121.3	154.4	-67.6	-176.2	165.7	0	0	106.7	P12 D57 P61	P12-E59 VanDerWaalsContact CB-OE2 3.22Å; P12-E59 WeakPolarHBondContact CB-OE2 3.28Å; D57-E59 PolarHBondContact O-N 3.2Å; E59-P61 WeakPolarHBondContact O-CD 3.45Å
60	E	67.1	Low	66.3	Low	89 Å²	89	69.5 Å²	69.5	42%	0.416	38%	0.378	S	S	.	.			trans	-98.5	79.6	171.6	-70.5	-174.9	157.3	0	0	107.6	V58 Y62 S70 F71	V58-E60 HydrophobicContact CG1-CG 4.05Å; V58-E60 PolarHBondContact O-N 3.4Å; E60-Y62 PolarHBondContact O-N 2.95Å; E60-S70 VanDerWaalsContact OE2-CB 3.25Å; E60-S70 WeakPolarHBondContact OE2-CB 3.2Å; E60-S70 PolarHBondContact OE2-OG 3.48Å; E60-F71 CarbonylContact C-O 3.54Å; E60-F71 VanDerWaalsContact CA-O 3.29Å; E60-F71 WeakPolarHBondContact CA-O 3.48Å; E60-F71 WeakPolarHBondContact CB-O 3.39Å
61	P	68.8	Low	65.9	Low	21 Å²	21	66.1 Å²	66.1	14%	0.136	36%	0.364	C	S	.	.			trans	-69.6	-16.4	-170.4	27.7	-36.4	0	0	0	113.6	T10 P12 E59	T10-P61 PolarHBondContact OG1-O 3.4Å; P12-P61 HydrophobicContact CB-CB 3.9Å; P12-P61 VanDerWaalsContact CD-CB 3.48Å; P12-P61 HydrophobicContact CG-CB 3.59Å; P12-P61 HydrophobicContact CG-CG 4.04Å; E59-P61 WeakPolarHBondContact O-CD 3.45Å
62	Y	68.5	Low	65.5	Low	65 Å²	65	69.6 Å²	69.6	26%	0.255	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	103.6	-173.5	-58.2	-70.1	0	0	0	109.4	T9 E60 S70 F71 R72 F73 H74	T9-Y62 HydrophobicContact CG2-CD1 4.25Å; T9-Y62 HydrophobicContact CG2-CE1 4Å; E60-Y62 PolarHBondContact O-N 2.95Å; Y62-S70 CarbonylContact O-C 3.53Å; Y62-S70 WeakPolarHBondContact O-CA 3.01Å; Y62-F71 PolarHBondContact N-O 3.33Å; Y62-F71 PolarHBondContact O-N 3.26Å; Y62-R72 WeakPolarHBondContact CD2-O 3.32Å; Y62-R72 WeakPolarHBondContact CE2-O 3.42Å; Y62-F73 VanDerWaalsContact CD2-C 3.4Å; Y62-H74 HydrophobicContact CD1-CB 4.01Å; Y62-H74 HydrophobicContact CD2-CB 4.48Å; Y62-H74 VanDerWaalsContact CD2-N 3.29Å; Y62-H74 HydrophobicContact CE1-CB 3.71Å; Y62-H74 HydrophobicContact CE2-CB 4.21Å; Y62-H74 VanDerWaalsContact CE2-N 3.28Å; Y62-H74 HydrophobicContact CG-CB 4.38Å
63	V	61.3	Low	65.5	Low	57 Å²	57	73.5 Å²	73.5	35%	0.345	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134	-177.3	-174.3	0	0	0	0	110.3	A65 L69	V63-A65 PolarHBondContact O-N 3.17Å; V63-L69 CarbonylContact C-O 3.52Å; V63-L69 WeakPolarHBondContact CA-O 3.5Å
64	C	68.3	Low	65.9	Low	2 Å²	2	76.2 Å²	76.2	1%	0.014	39%	0.394	C	S	.	.			trans	-73.5	119.4	171	-178.1	0	0	0	0	110.2	K66 C67 G68 L69 F71 L77 H80 H84	C64-K66 PolarHBondContact O-N 3.09Å; C64-K66 PolarHBondContact SG-N 3.47Å; C64-C67 VanDerWaalsContact SG-SG 3.69Å; C64-G68 WeakPolarHBondContact O-CA 3.25Å; C64-G68 PolarHBondContact O-N 3.48Å; C64-L69 PolarHBondContact N-O 3.13Å; C64-F71 HydrophobicContact CB-CE2 4.36Å; C64-L77 HydrophobicContact CB-CD1 3.71Å; C64-H80 PolarHBondContact SG-NE2 3.42Å; C64-H80 VanDerWaalsContact SG-NE2 3.42Å; C64-H84 VanDerWaalsContact SG-CD2 3.57Å; C64-H84 PolarHBondContact SG-NE2 2.73Å
65	A	72.3	Confident	66.3	Low	84 Å²	84	70.8 Å²	70.8	69%	0.694	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.4	177.8	0	0	0	0	0	113.4	V63	V63-A65 PolarHBondContact O-N 3.17Å
66	K	66.5	Low	66.6	Low	120 Å²	120	71 Å²	71	52%	0.522	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-36.9	-175.9	-170.5	167.9	-177.1	168.7	0	113.6	C64 H84	C64-K66 PolarHBondContact O-N 3.09Å; C64-K66 PolarHBondContact SG-N 3.47Å; K66-H84 HydrophobicContact CD-CB 3.98Å
67	C	69	Low	66.9	Low	61 Å²	61	68.1 Å²	68.1	41%	0.412	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125	-9.4	-175.6	70.4	0	0	0	0	114.7	C64 L69 H80	C64-C67 VanDerWaalsContact SG-SG 3.69Å; C67-L69 VanDerWaalsContact C-N 3.26Å; C67-L69 PolarHBondContact O-N 2.94Å; C67-H80 PolarHBondContact SG-NE2 3.47Å
68	G	61.4	Low	67.7	Low	49 Å²	49	67 Å²	67	51%	0.505	36%	0.358	S	S	.	.			trans	75.7	5.6	-178.9	0	0	0	0	0	115	C64	C64-G68 WeakPolarHBondContact O-CA 3.25Å; C64-G68 PolarHBondContact O-N 3.48Å
69	L	65.5	Low	68.3	Low	96 Å²	96	67.9 Å²	67.9	50%	0.503	36%	0.361	S	S	.	.			trans	-67.2	132.9	174.6	-73.6	171.6	0	0	0	110.5	V63 C64 C67 F71	V63-L69 CarbonylContact C-O 3.52Å; V63-L69 WeakPolarHBondContact CA-O 3.5Å; C64-L69 PolarHBondContact N-O 3.13Å; C67-L69 VanDerWaalsContact C-N 3.26Å; C67-L69 PolarHBondContact O-N 2.94Å; L69-F71 HydrophobicContact CB-CE2 3.84Å; L69-F71 HydrophobicContact CB-CZ 3.97Å; L69-F71 WeakPolarHBondContact O-CE2 3.47Å
70	S	60.9	Low	69.1	Low	46 Å²	46	64.3 Å²	64.3	32%	0.322	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	148.2	177.7	51.4	0	0	0	0	110.9	E60 Y62	E60-S70 VanDerWaalsContact OE2-CB 3.25Å; E60-S70 WeakPolarHBondContact OE2-CB 3.2Å; E60-S70 PolarHBondContact OE2-OG 3.48Å; Y62-S70 CarbonylContact O-C 3.53Å; Y62-S70 WeakPolarHBondContact O-CA 3.01Å
71	F	63.3	Low	69.3	Low	35 Å²	35	61.4 Å²	61.4	15%	0.154	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	148.5	-176.3	-61.4	-88.2	0	0	0	110.5	E60 Y62 C64 L69 E76 L77 H80	E60-F71 CarbonylContact C-O 3.54Å; E60-F71 VanDerWaalsContact CA-O 3.29Å; E60-F71 WeakPolarHBondContact CA-O 3.48Å; E60-F71 WeakPolarHBondContact CB-O 3.39Å; Y62-F71 PolarHBondContact N-O 3.33Å; Y62-F71 PolarHBondContact O-N 3.26Å; C64-F71 HydrophobicContact CB-CE2 4.36Å; L69-F71 HydrophobicContact CB-CE2 3.84Å; L69-F71 HydrophobicContact CB-CZ 3.97Å; L69-F71 WeakPolarHBondContact O-CE2 3.47Å; F71-E76 HydrophobicContact CB-CB 4.06Å; F71-E76 HydrophobicContact CD1-CB 3.72Å; F71-E76 HydrophobicContact CG-CB 4.19Å; F71-L77 HydrophobicContact CB-CB 4.14Å; F71-L77 HydrophobicContact CD2-CB 3.77Å; F71-L77 HydrophobicContact CD2-CD1 3.67Å; F71-L77 HydrophobicContact CD2-CG 4.33Å; F71-L77 HydrophobicContact CE2-CD1 3.83Å; F71-L77 HydrophobicContact CG-CB 4.09Å; F71-H80 HydrophobicContact CE1-CB 3.84Å; F71-H80 HydrophobicContact CE2-CB 3.93Å; F71-H80 AromaticContact CE2-CD2 3.47Å; F71-H80 VanDerWaalsContact CE2-CD2 3.47Å; F71-H80 WeakPolarHBondContact CE2-CD2 3.21Å; F71-H80 AromaticContact CE2-CG 3.68Å; F71-H80 HydrophobicContact CZ-CB 3.37Å; F71-H80 AromaticContact CZ-CD2 3.48Å; F71-H80 VanDerWaalsContact CZ-CD2 3.48Å; F71-H80 WeakPolarHBondContact CZ-CD2 3.42Å; F71-H80 AromaticContact CZ-CG 3.2Å; F71-H80 AromaticContact CZ-ND1 3.72Å
72	R	65	Low	69.5	Low	126 Å²	126	62.1 Å²	62.1	48%	0.475	34%	0.335	S	S	.	.	S	Bend	trans	-74.3	-39.8	178.9	179.3	176	-177.2	153	5.4	111.8	V58 Y62 E76	V58-R72 HydrophobicContact CG1-CB 3.88Å; V58-R72 HydrophobicContact CG1-CG 3.61Å; Y62-R72 WeakPolarHBondContact CD2-O 3.32Å; Y62-R72 WeakPolarHBondContact CE2-O 3.42Å; R72-E76 PolarHBondContact N-OE2 3.29Å
73	F	72	Confident	69.4	Low	107 Å²	107	63 Å²	63	47%	0.469	34%	0.342	S	S	.	.	S	Bend	trans	-118.3	143.3	-178.3	-57.8	-69.6	0	0	0	111.5	Y62 S75 E76 L77	Y62-F73 VanDerWaalsContact CD2-C 3.4Å; F73-S75 PolarHBondContact O-N 2.84Å; F73-E76 HydrophobicContact CB-CG 4.17Å; F73-E76 HydrophobicContact CD2-CG 4.47Å; F73-E76 PolarHBondContact N-OE2 3.27Å; F73-E76 WeakPolarHBondContact O-CB 3.46Å; F73-E76 PolarHBondContact O-N 2.99Å; F73-L77 PolarHBondContact O-N 3.2Å
74	H	76.3	Confident	69.8	Low	72 Å²	72	63.2 Å²	63.2	33%	0.333	34%	0.339	S	S	.	.	H	α-helix	trans	-55.1	-37.2	175.6	179.1	-86.5	0	0	0	112.3	Y62 E76 L77 Q78	Y62-H74 HydrophobicContact CD1-CB 4.01Å; Y62-H74 HydrophobicContact CD2-CB 4.48Å; Y62-H74 VanDerWaalsContact CD2-N 3.29Å; Y62-H74 HydrophobicContact CE1-CB 3.71Å; Y62-H74 HydrophobicContact CE2-CB 4.21Å; Y62-H74 VanDerWaalsContact CE2-N 3.28Å; Y62-H74 HydrophobicContact CG-CB 4.38Å; H74-E76 VanDerWaalsContact C-N 3.27Å; H74-E76 PolarHBondContact O-N 3.36Å; H74-L77 PolarHBondContact O-N 2.99Å; H74-Q78 WeakPolarHBondContact O-CB 3.46Å; H74-Q78 PolarHBondContact O-N 3.4Å
75	S	75.8	Confident	69.8	Low	67 Å²	67	69.1 Å²	69.1	47%	0.469	36%	0.364	S	S	.	.	H	α-helix	trans	-61.2	-34.4	177.1	52.7	0	0	0	0	112.9	F73 I79	F73-S75 PolarHBondContact O-N 2.84Å; S75-I79 WeakPolarHBondContact O-CD1 3.43Å; S75-I79 WeakPolarHBondContact O-CG1 3.41Å; S75-I79 PolarHBondContact O-N 3.43Å; S75-I79 VanDerWaalsContact O-N 3.09Å
76	E	69.4	Low	69.4	Low	82 Å²	82	67 Å²	67	38%	0.383	35%	0.351	S	S	.	.	H	α-helix	trans	-71.8	-43.2	177.6	-63	171.2	149.7	0	0	110.8	F71 R72 F73 H74 Q78 I79 H80	F71-E76 HydrophobicContact CB-CB 4.06Å; F71-E76 HydrophobicContact CD1-CB 3.72Å; F71-E76 HydrophobicContact CG-CB 4.19Å; R72-E76 PolarHBondContact N-OE2 3.29Å; F73-E76 HydrophobicContact CB-CG 4.17Å; F73-E76 HydrophobicContact CD2-CG 4.47Å; F73-E76 PolarHBondContact N-OE2 3.27Å; F73-E76 WeakPolarHBondContact O-CB 3.46Å; F73-E76 PolarHBondContact O-N 2.99Å; H74-E76 VanDerWaalsContact C-N 3.27Å; H74-E76 PolarHBondContact O-N 3.36Å; E76-Q78 VanDerWaalsContact C-N 3.33Å; E76-Q78 PolarHBondContact O-N 2.87Å; E76-I79 PolarHBondContact O-N 2.71Å; E76-H80 WeakPolarHBondContact O-CB 3.21Å; E76-H80 PolarHBondContact O-N 3.18Å
77	L	73.1	Confident	69.1	Low	7 Å²	7	63.3 Å²	63.3	4%	0.037	34%	0.343	C	S	.	.	H	α-helix	trans	-59.4	-44.7	172.5	172.6	63.5	0	0	0	111.1	C64 F71 F73 H74 H80 C81	C64-L77 HydrophobicContact CB-CD1 3.71Å; F71-L77 HydrophobicContact CB-CB 4.14Å; F71-L77 HydrophobicContact CD2-CB 3.77Å; F71-L77 HydrophobicContact CD2-CD1 3.67Å; F71-L77 HydrophobicContact CD2-CG 4.33Å; F71-L77 HydrophobicContact CE2-CD1 3.83Å; F71-L77 HydrophobicContact CG-CB 4.09Å; F73-L77 PolarHBondContact O-N 3.2Å; H74-L77 PolarHBondContact O-N 2.99Å; L77-H80 WeakPolarHBondContact O-CB 3.44Å; L77-H80 PolarHBondContact O-N 3.47Å; L77-C81 WeakPolarHBondContact O-CB 3.19Å; L77-C81 PolarHBondContact O-N 3.23Å; L77-C81 PolarHBondContact O-SG 2.78Å; L77-C81 VanDerWaalsContact O-SG 3.33Å
78	Q	77.7	Confident	69.1	Low	99 Å²	99	65.9 Å²	65.9	46%	0.463	35%	0.345	S	S	.	.	H	α-helix	trans	-60.7	-49.6	-179.3	-178.1	179.7	-18.9	0	0	111.5	H74 E76 H80 C81 E82	H74-Q78 WeakPolarHBondContact O-CB 3.46Å; H74-Q78 PolarHBondContact O-N 3.4Å; E76-Q78 VanDerWaalsContact C-N 3.33Å; E76-Q78 PolarHBondContact O-N 2.87Å; Q78-H80 VanDerWaalsContact C-N 3.28Å; Q78-H80 PolarHBondContact O-N 2.77Å; Q78-C81 WeakPolarHBondContact O-CB 3.32Å; Q78-C81 PolarHBondContact O-N 2.84Å; Q78-C81 VanDerWaalsContact O-N 3.13Å; Q78-E82 PolarHBondContact O-N 2.79Å
79	I	72.8	Confident	69.4	Low	48 Å²	48	67.2 Å²	67.2	25%	0.246	34%	0.343	C	S	.	.	H	α-helix	trans	-60.2	-41.4	176.8	-70.1	165.5	0	0	0	110.8	S75 E76 C81 E82 E83 A99 K100	S75-I79 WeakPolarHBondContact O-CD1 3.43Å; S75-I79 WeakPolarHBondContact O-CG1 3.41Å; S75-I79 PolarHBondContact O-N 3.43Å; S75-I79 VanDerWaalsContact O-N 3.09Å; E76-I79 PolarHBondContact O-N 2.71Å; I79-C81 VanDerWaalsContact C-N 3.34Å; I79-C81 PolarHBondContact O-N 2.96Å; I79-E82 WeakPolarHBondContact O-CB 3.34Å; I79-E82 PolarHBondContact O-N 2.91Å; I79-E83 PolarHBondContact O-N 3.41Å; I79-A99 HydrophobicContact CG2-CB 4.39Å; I79-K100 HydrophobicContact CD1-CG 4.36Å; I79-K100 HydrophobicContact CG2-CD 4.04Å; I79-K100 HydrophobicContact CG2-CG 3.41Å; I79-K100 VanDerWaalsContact CG2-CG 3.41Å
80	H	75.3	Confident	69.5	Low	17 Å²	17	67 Å²	67	8%	0.079	34%	0.336	C	S	.	.	H	α-helix	trans	-62.2	-41.6	175.3	167.9	71.4	0	0	0	112.3	C64 C67 F71 E76 L77 Q78 E82 E83 H84	C64-H80 PolarHBondContact SG-NE2 3.42Å; C64-H80 VanDerWaalsContact SG-NE2 3.42Å; C67-H80 PolarHBondContact SG-NE2 3.47Å; F71-H80 HydrophobicContact CE1-CB 3.84Å; F71-H80 HydrophobicContact CE2-CB 3.93Å; F71-H80 AromaticContact CE2-CD2 3.47Å; F71-H80 VanDerWaalsContact CE2-CD2 3.47Å; F71-H80 WeakPolarHBondContact CE2-CD2 3.21Å; F71-H80 AromaticContact CE2-CG 3.68Å; F71-H80 HydrophobicContact CZ-CB 3.37Å; F71-H80 AromaticContact CZ-CD2 3.48Å; F71-H80 VanDerWaalsContact CZ-CD2 3.48Å; F71-H80 WeakPolarHBondContact CZ-CD2 3.42Å; F71-H80 AromaticContact CZ-CG 3.2Å; F71-H80 AromaticContact CZ-ND1 3.72Å; E76-H80 WeakPolarHBondContact O-CB 3.21Å; E76-H80 PolarHBondContact O-N 3.18Å; L77-H80 WeakPolarHBondContact O-CB 3.44Å; L77-H80 PolarHBondContact O-N 3.47Å; Q78-H80 VanDerWaalsContact C-N 3.28Å; Q78-H80 PolarHBondContact O-N 2.77Å; H80-E82 VanDerWaalsContact C-N 3.27Å; H80-E82 PolarHBondContact O-N 3.12Å; H80-E83 WeakPolarHBondContact O-CB 3.49Å; H80-E83 PolarHBondContact O-N 2.75Å; H80-E83 VanDerWaalsContact O-N 3.14Å; H80-H84 AromaticContact CE1-CE1 3.91Å; H80-H84 AromaticContact CE1-NE2 3.56Å; H80-H84 AromaticContact NE2-CD2 3.72Å; H80-H84 AromaticContact NE2-CE1 3.97Å; H80-H84 AromaticContact NE2-NE2 3.18Å; H80-H84 PolarHBondContact NE2-NE2 3.03Å; H80-H84 VanDerWaalsContact NE2-NE2 3.18Å; H80-H84 PolarHBondContact O-N 3.19Å
81	C	71.3	Confident	69.5	Low	29 Å²	29	72.2 Å²	72.2	20%	0.196	35%	0.353	C	S	.	.	H	α-helix	trans	-66.1	-29.2	174.7	-71.8	0	0	0	0	112.4	L77 Q78 I79 E83 H84 K85	L77-C81 WeakPolarHBondContact O-CB 3.19Å; L77-C81 PolarHBondContact O-N 3.23Å; L77-C81 PolarHBondContact O-SG 2.78Å; L77-C81 VanDerWaalsContact O-SG 3.33Å; Q78-C81 WeakPolarHBondContact O-CB 3.32Å; Q78-C81 PolarHBondContact O-N 2.84Å; Q78-C81 VanDerWaalsContact O-N 3.13Å; I79-C81 VanDerWaalsContact C-N 3.34Å; I79-C81 PolarHBondContact O-N 2.96Å; C81-E83 VanDerWaalsContact C-N 3.32Å; C81-H84 WeakPolarHBondContact O-CB 3.37Å; C81-H84 PolarHBondContact O-N 3.09Å; C81-K85 PolarHBondContact O-N 3.48Å
82	E	73.1	Confident	69.4	Low	36 Å²	36	71 Å²	71	17%	0.168	35%	0.349	C	S	.	.	H	α-helix	trans	-63.7	-37	171.3	-73.7	174.7	-169	0	0	111.7	Q78 I79 H80 H84 K85 G86 A87 T89	Q78-E82 PolarHBondContact O-N 2.79Å; I79-E82 WeakPolarHBondContact O-CB 3.34Å; I79-E82 PolarHBondContact O-N 2.91Å; H80-E82 VanDerWaalsContact C-N 3.27Å; H80-E82 PolarHBondContact O-N 3.12Å; E82-H84 VanDerWaalsContact C-N 3.29Å; E82-H84 PolarHBondContact O-N 3.06Å; E82-K85 PolarHBondContact O-N 3.31Å; E82-K85 VanDerWaalsContact O-N 3.14Å; E82-G86 PolarHBondContact O-N 3.06Å; E82-G86 VanDerWaalsContact O-N 3.09Å; E82-A87 HydrophobicContact CB-CB 4.49Å; E82-A87 PolarHBondContact O-N 3.36Å; E82-T89 VanDerWaalsContact OE2-CG2 3.27Å; E82-T89 WeakPolarHBondContact OE2-CG2 3.23Å; E82-T89 PolarHBondContact OE2-OG1 2.8Å
83	E	66.5	Low	69.5	Low	84 Å²	84	74 Å²	74	39%	0.393	37%	0.37	S	S	.	.	H	α-helix	trans	-61.9	-36.2	173	-62.7	175.2	-178.1	0	0	111.7	I79 H80 C81 K85 G86 A99	I79-E83 PolarHBondContact O-N 3.41Å; H80-E83 WeakPolarHBondContact O-CB 3.49Å; H80-E83 PolarHBondContact O-N 2.75Å; H80-E83 VanDerWaalsContact O-N 3.14Å; C81-E83 VanDerWaalsContact C-N 3.32Å; E83-K85 VanDerWaalsContact C-N 3.32Å; E83-K85 PolarHBondContact O-N 2.94Å; E83-G86 PolarHBondContact O-N 3.41Å; E83-A99 HydrophobicContact CG-CB 3.68Å
84	H	70	Confident	69.4	Low	61 Å²	61	72.6 Å²	72.6	28%	0.282	37%	0.373	S	S	.	.	H	α-helix	trans	-67.7	-29.9	174.7	-75.6	-36.1	0	0	0	114.2	C64 K66 H80 C81 E82 G86	C64-H84 VanDerWaalsContact SG-CD2 3.57Å; C64-H84 PolarHBondContact SG-NE2 2.73Å; K66-H84 HydrophobicContact CD-CB 3.98Å; H80-H84 AromaticContact CE1-CE1 3.91Å; H80-H84 AromaticContact CE1-NE2 3.56Å; H80-H84 AromaticContact NE2-CD2 3.72Å; H80-H84 AromaticContact NE2-CE1 3.97Å; H80-H84 AromaticContact NE2-NE2 3.18Å; H80-H84 PolarHBondContact NE2-NE2 3.03Å; H80-H84 VanDerWaalsContact NE2-NE2 3.18Å; H80-H84 PolarHBondContact O-N 3.19Å; C81-H84 WeakPolarHBondContact O-CB 3.37Å; C81-H84 PolarHBondContact O-N 3.09Å; E82-H84 VanDerWaalsContact C-N 3.29Å; E82-H84 PolarHBondContact O-N 3.06Å; H84-G86 VanDerWaalsContact C-N 3.35Å
85	K	68.6	Low	68.6	Low	125 Å²	125	72 Å²	72	54%	0.543	39%	0.386	S	S	.	.	H	α-helix	trans	-87	-8.1	178.9	-66.6	179.9	-178.8	-175.9	0	112.3	C81 E82 E83 A87	C81-K85 PolarHBondContact O-N 3.48Å; E82-K85 PolarHBondContact O-N 3.31Å; E82-K85 VanDerWaalsContact O-N 3.14Å; E83-K85 VanDerWaalsContact C-N 3.32Å; E83-K85 PolarHBondContact O-N 2.94Å; K85-A87 HydrophobicContact CB-CB 3.87Å; K85-A87 PolarHBondContact O-N 3.11Å
86	G	63.4	Low	68.2	Low	40 Å²	40	76 Å²	76	41%	0.412	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	20.1	-166.5	0	0	0	0	0	112.3	E82 E83 H84 Y88	E82-G86 PolarHBondContact O-N 3.06Å; E82-G86 VanDerWaalsContact O-N 3.09Å; E83-G86 PolarHBondContact O-N 3.41Å; H84-G86 VanDerWaalsContact C-N 3.35Å; G86-Y88 VanDerWaalsContact C-N 3.31Å; G86-Y88 VanDerWaalsContact O-CD2 3.25Å; G86-Y88 WeakPolarHBondContact O-CD2 3.48Å; G86-Y88 PolarHBondContact O-N 3.25Å
87	A	61.8	Low	68.2	Low	43 Å²	43	74.1 Å²	74.1	36%	0.355	39%	0.387	S	S	.	.			trans	-86.7	75	-175.5	0	0	0	0	0	109	E82 K85 T89	E82-A87 HydrophobicContact CB-CB 4.49Å; E82-A87 PolarHBondContact O-N 3.36Å; K85-A87 HydrophobicContact CB-CB 3.87Å; K85-A87 PolarHBondContact O-N 3.11Å; A87-T89 PolarHBondContact O-N 2.87Å
88	Y	68.4	Low	67.8	Low	115 Å²	115	75.5 Å²	75.5	45%	0.451	39%	0.393	S	S	.	.			trans	-75.2	111.7	177.4	-59.4	-69.5	0	0	0	110.5	G86 F98 A99	G86-Y88 VanDerWaalsContact C-N 3.31Å; G86-Y88 VanDerWaalsContact O-CD2 3.25Å; G86-Y88 WeakPolarHBondContact O-CD2 3.48Å; G86-Y88 PolarHBondContact O-N 3.25Å; Y88-F98 CarbonylContact C-O 3.53Å; Y88-A99 HydrophobicContact CD1-CB 4.08Å; Y88-A99 HydrophobicContact CE1-CB 4.45Å
89	T	68.3	Low	67.3	Low	76 Å²	76	70.9 Å²	70.9	47%	0.466	37%	0.372	S	S	.	.			trans	-78.3	-26	-174.2	42.4	0	0	0	0	113.4	E82 A87 F98	E82-T89 VanDerWaalsContact OE2-CG2 3.27Å; E82-T89 WeakPolarHBondContact OE2-CG2 3.23Å; E82-T89 PolarHBondContact OE2-OG1 2.8Å; A87-T89 PolarHBondContact O-N 2.87Å; T89-F98 PolarHBondContact N-O 2.75Å
90	Y	66.1	Low	67.1	Low	93 Å²	93	72.4 Å²	72.4	37%	0.365	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	118.6	-174.6	-60	-80.2	0	0	0	111	S97 F98 K100 Y101	Y90-S97 CarbonylContact O-C 3.46Å; Y90-S97 VanDerWaalsContact O-CA 3.29Å; Y90-S97 WeakPolarHBondContact O-CA 3.43Å; Y90-F98 PolarHBondContact N-O 3.37Å; Y90-F98 PolarHBondContact O-N 3.36Å; Y90-K100 VanDerWaalsContact CD2-C 3.43Å; Y90-Y101 AromaticContact CD1-CD2 3.77Å; Y90-Y101 HydrophobicContact CD1-CD2 3.77Å; Y90-Y101 HydrophobicContact CD1-CG 4.43Å; Y90-Y101 AromaticContact CE1-CD2 3.83Å; Y90-Y101 HydrophobicContact CE1-CD2 3.83Å; Y90-Y101 HydrophobicContact CE1-CG 4.2Å
91	K	61.1	Low	67	Low	154 Å²	154	77.6 Å²	77.6	67%	0.67	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	131.6	179.7	-64.9	-171.3	175.6	177.1	0	110.9	R96	K91-R96 WeakPolarHBondContact CA-O 3.5Å
92	C	62.1	Low	67.2	Low	10 Å²	10	78.7 Å²	78.7	7%	0.068	40%	0.404	C	S	.	.			trans	-80.9	151.4	165.8	-175.8	0	0	0	0	110.2	C94 G95 R96 F98 L104 H107 H108	C92-C94 PolarHBondContact O-N 2.78Å; C92-C94 VanDerWaalsContact O-N 3.15Å; C92-C94 PolarHBondContact SG-N 2.97Å; C92-G95 PolarHBondContact O-N 3.19Å; C92-R96 PolarHBondContact N-O 2.81Å; C92-F98 HydrophobicContact CB-CE2 4.15Å; C92-L104 HydrophobicContact CB-CD1 3.57Å; C92-H107 WeakPolarHBondContact CB-CD2 3.22Å; C92-H107 VanDerWaalsContact CB-NE2 3.28Å; C92-H107 WeakPolarHBondContact CB-NE2 3.32Å; C92-H107 PolarHBondContact SG-CD2 3.06Å; C92-H107 PolarHBondContact SG-NE2 3.18Å; C92-H108 PolarHBondContact SG-CE1 3.22Å
93	M	65.8	Low	67.1	Low	189 Å²	189	79.8 Å²	79.8	93%	0.931	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.1	172.6	-68.4	-169.3	-69.9	0	0	113.2	G95	M93-G95 PolarHBondContact O-N 3.3Å
94	C	69.9	Low	67.3	Low	77 Å²	77	76.4 Å²	76.4	52%	0.52	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-6.1	173.3	79.9	0	0	0	0	113.8	C92 R96 H107	C92-C94 PolarHBondContact O-N 2.78Å; C92-C94 VanDerWaalsContact O-N 3.15Å; C92-C94 PolarHBondContact SG-N 2.97Å; C94-R96 PolarHBondContact SG-N 3.29Å; C94-H107 PolarHBondContact SG-CE1 3.02Å; C94-H107 PolarHBondContact SG-NE2 2.92Å
95	G	60.5	Low	67.6	Low	60 Å²	60	76.7 Å²	76.7	62%	0.619	40%	0.399	S	S	*	.	S	Bend	trans	95.3	-6.6	-179.4	0	0	0	0	0	115.2	C92 M93	C92-G95 PolarHBondContact O-N 3.19Å; M93-G95 PolarHBondContact O-N 3.3Å
96	R	66.7	Low	67.8	Low	151 Å²	151	75.9 Å²	75.9	57%	0.57	39%	0.393	S	S	*	.			trans	-74	143.5	173.8	-71.1	-175.5	179.6	165.5	3	111.5	K91 C92 C94 F98	K91-R96 WeakPolarHBondContact CA-O 3.5Å; C92-R96 PolarHBondContact N-O 2.81Å; C94-R96 PolarHBondContact SG-N 3.29Å; R96-F98 HydrophobicContact CB-CE2 3.75Å; R96-F98 HydrophobicContact CB-CZ 3.83Å
97	S	68.9	Low	68.2	Low	43 Å²	43	74.3 Å²	74.3	30%	0.301	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.6	179.2	-46.3	0	0	0	0	110.4	Y90	Y90-S97 CarbonylContact O-C 3.46Å; Y90-S97 VanDerWaalsContact O-CA 3.29Å; Y90-S97 WeakPolarHBondContact O-CA 3.43Å
98	F	65.7	Low	68.6	Low	35 Å²	35	75.6 Å²	75.6	15%	0.154	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	147.2	-173.1	-57.5	-89	0	0	0	110.7	Y88 T89 Y90 C92 R96 D103 L104 H107	Y88-F98 CarbonylContact C-O 3.53Å; T89-F98 PolarHBondContact N-O 2.75Å; Y90-F98 PolarHBondContact N-O 3.37Å; Y90-F98 PolarHBondContact O-N 3.36Å; C92-F98 HydrophobicContact CB-CE2 4.15Å; R96-F98 HydrophobicContact CB-CE2 3.75Å; R96-F98 HydrophobicContact CB-CZ 3.83Å; F98-D103 HydrophobicContact CB-CB 4.1Å; F98-D103 HydrophobicContact CD1-CB 3.65Å; F98-D103 HydrophobicContact CG-CB 4.19Å; F98-L104 HydrophobicContact CB-CB 4.36Å; F98-L104 HydrophobicContact CD2-CB 3.9Å; F98-L104 HydrophobicContact CD2-CD1 3.8Å; F98-L104 HydrophobicContact CD2-CG 4.47Å; F98-L104 HydrophobicContact CE2-CD1 3.89Å; F98-L104 HydrophobicContact CG-CB 4.22Å; F98-H107 HydrophobicContact CE1-CB 3.84Å; F98-H107 HydrophobicContact CE2-CB 3.96Å; F98-H107 AromaticContact CE2-CD2 3.31Å; F98-H107 WeakPolarHBondContact CE2-CD2 3.15Å; F98-H107 AromaticContact CE2-CG 3.8Å; F98-H107 AromaticContact CE2-NE2 4Å; F98-H107 HydrophobicContact CZ-CB 3.34Å; F98-H107 AromaticContact CZ-CD2 3.29Å; F98-H107 WeakPolarHBondContact CZ-CD2 3.17Å; F98-H107 AromaticContact CZ-CG 3.28Å; F98-H107 AromaticContact CZ-NE2 3.95Å
99	A	67.9	Low	68.5	Low	3 Å²	3	76 Å²	76	3%	0.025	38%	0.38	C	S	.	.	S	Bend	trans	-83.2	-24.6	178.3	0	0	0	0	0	111.8	I79 E83 Y88	I79-A99 HydrophobicContact CG2-CB 4.39Å; E83-A99 HydrophobicContact CG-CB 3.68Å; Y88-A99 HydrophobicContact CD1-CB 4.08Å; Y88-A99 HydrophobicContact CE1-CB 4.45Å
100	K	67.9	Low	68.2	Low	80 Å²	80	75.4 Å²	75.4	35%	0.348	38%	0.379	S	S	.	.	S	Bend	trans	-120.6	145.3	178.2	-65	166.1	-173.6	165.8	0	110.8	I79 Y90 S102 D103 L104	I79-K100 HydrophobicContact CD1-CG 4.36Å; I79-K100 HydrophobicContact CG2-CD 4.04Å; I79-K100 HydrophobicContact CG2-CG 3.41Å; I79-K100 VanDerWaalsContact CG2-CG 3.41Å; Y90-K100 VanDerWaalsContact CD2-C 3.43Å; K100-S102 VanDerWaalsContact C-N 3.27Å; K100-S102 WeakPolarHBondContact CB-OG 3.3Å; K100-S102 PolarHBondContact O-N 3.4Å; K100-D103 HydrophobicContact CB-CB 4.48Å; K100-D103 WeakPolarHBondContact CB-OD2 3.5Å; K100-D103 PolarHBondContact O-N 3.37Å; K100-L104 PolarHBondContact O-N 3.17Å
101	Y	73.2	Confident	67.8	Low	126 Å²	126	74.8 Å²	74.8	49%	0.494	38%	0.381	S	S	.	.	H	α-helix	trans	-62.8	-35.1	172.8	-177.3	-112.4	0	0	0	112.4	Y90 D103 L104 L105	Y90-Y101 AromaticContact CD1-CD2 3.77Å; Y90-Y101 HydrophobicContact CD1-CD2 3.77Å; Y90-Y101 HydrophobicContact CD1-CG 4.43Å; Y90-Y101 AromaticContact CE1-CD2 3.83Å; Y90-Y101 HydrophobicContact CE1-CD2 3.83Å; Y90-Y101 HydrophobicContact CE1-CG 4.2Å; Y101-D103 PolarHBondContact O-N 2.51Å; Y101-L104 HydrophobicContact CD2-CD2 4.41Å; Y101-L104 HydrophobicContact CE2-CD2 4.48Å; Y101-L104 PolarHBondContact O-N 3.49Å; Y101-L105 HydrophobicContact CD1-CD1 3.81Å; Y101-L105 HydrophobicContact CD1-CG 4.14Å; Y101-L105 HydrophobicContact CE1-CD1 3.37Å; Y101-L105 HydrophobicContact CE1-CD2 4.15Å; Y101-L105 HydrophobicContact CE1-CG 3.69Å; Y101-L105 HydrophobicContact CE2-CG 4.4Å; Y101-L105 PolarHBondContact O-N 3.48Å
102	S	74.4	Confident	67.5	Low	51 Å²	51	75 Å²	75	36%	0.357	39%	0.385	S	S	.	.	H	α-helix	trans	-55.8	-42.2	174.5	53.1	0	0	0	0	111.6	K100 L105 Y106	K100-S102 VanDerWaalsContact C-N 3.27Å; K100-S102 WeakPolarHBondContact CB-OG 3.3Å; K100-S102 PolarHBondContact O-N 3.4Å; S102-L105 WeakPolarHBondContact O-CB 3.29Å; S102-L105 PolarHBondContact O-N 2.94Å; S102-Y106 WeakPolarHBondContact O-CD2 3.25Å; S102-Y106 PolarHBondContact O-N 3.14Å
103	D	70.8	Confident	66.6	Low	59 Å²	59	80.8 Å²	80.8	32%	0.316	42%	0.415	S	S	.	.	H	α-helix	trans	-71.4	-35.3	-176.1	-54.2	-16.6	0	0	0	111	F98 K100 Y101 H107	F98-D103 HydrophobicContact CB-CB 4.1Å; F98-D103 HydrophobicContact CD1-CB 3.65Å; F98-D103 HydrophobicContact CG-CB 4.19Å; K100-D103 HydrophobicContact CB-CB 4.48Å; K100-D103 WeakPolarHBondContact CB-OD2 3.5Å; K100-D103 PolarHBondContact O-N 3.37Å; Y101-D103 PolarHBondContact O-N 2.51Å; D103-H107 WeakPolarHBondContact O-CB 2.93Å; D103-H107 PolarHBondContact O-N 3.36Å
104	L	71.7	Confident	65.7	Low	14 Å²	14	80.6 Å²	80.6	7%	0.073	41%	0.412	C	S	.	.	H	α-helix	trans	-63.2	-44.2	170.1	174.9	63.3	0	0	0	111.7	C92 F98 K100 Y101 H107 H108	C92-L104 HydrophobicContact CB-CD1 3.57Å; F98-L104 HydrophobicContact CB-CB 4.36Å; F98-L104 HydrophobicContact CD2-CB 3.9Å; F98-L104 HydrophobicContact CD2-CD1 3.8Å; F98-L104 HydrophobicContact CD2-CG 4.47Å; F98-L104 HydrophobicContact CE2-CD1 3.89Å; F98-L104 HydrophobicContact CG-CB 4.22Å; K100-L104 PolarHBondContact O-N 3.17Å; Y101-L104 HydrophobicContact CD2-CD2 4.41Å; Y101-L104 HydrophobicContact CE2-CD2 4.48Å; Y101-L104 PolarHBondContact O-N 3.49Å; L104-H107 WeakPolarHBondContact O-CB 3.22Å; L104-H107 PolarHBondContact O-N 2.94Å; L104-H108 WeakPolarHBondContact CD1-NE2 3.35Å; L104-H108 PolarHBondContact O-CD2 2.83Å; L104-H108 PolarHBondContact O-N 3.14Å
105	L	75.9	Confident	64.5	Low	66 Å²	66	86.5 Å²	86.5	35%	0.346	43%	0.432	S	S	.	.	H	α-helix	trans	-61.6	-46.9	176.7	-77.5	177.9	0	0	0	111.8	Y101 S102 H107 H108 H109	Y101-L105 HydrophobicContact CD1-CD1 3.81Å; Y101-L105 HydrophobicContact CD1-CG 4.14Å; Y101-L105 HydrophobicContact CE1-CD1 3.37Å; Y101-L105 HydrophobicContact CE1-CD2 4.15Å; Y101-L105 HydrophobicContact CE1-CG 3.69Å; Y101-L105 HydrophobicContact CE2-CG 4.4Å; Y101-L105 PolarHBondContact O-N 3.48Å; S102-L105 WeakPolarHBondContact O-CB 3.29Å; S102-L105 PolarHBondContact O-N 2.94Å; L105-H107 PolarHBondContact O-N 3.31Å; L105-H108 PolarHBondContact O-N 3.11Å; L105-H109 PolarHBondContact O-CD2 3.24Å; L105-H109 PolarHBondContact O-N 3.07Å
106	Y	73.3	Confident	63.9	Low	108 Å²	108	92.5 Å²	92.5	42%	0.424	44%	0.444	S	S	.	.	H	α-helix	trans	-58	-38.7	174.9	-82.5	-68	0	0	0	111.8	S102 H109 S110 V141	S102-Y106 WeakPolarHBondContact O-CD2 3.25Å; S102-Y106 PolarHBondContact O-N 3.14Å; Y106-H109 PolarHBondContact O-N 2.8Å; Y106-S110 PolarHBondContact O-N 3.24Å; Y106-S110 PolarHBondContact O-OG 3.13Å; Y106-V141 HydrophobicContact CD1-CB 4.08Å; Y106-V141 HydrophobicContact CD1-CG1 4.21Å; Y106-V141 HydrophobicContact CE1-CB 4.06Å; Y106-V141 HydrophobicContact CE1-CG1 4.37Å
107	H	72.4	Confident	62.4	Low	8 Å²	8	90.2 Å²	90.2	4%	0.037	45%	0.449	C	S	.	.	H	α-helix	trans	-66.5	-41.8	176.1	169.2	55.7	0	0	0	113.1	C92 C94 F98 D103 L104 L105 H109 S110 D111	C92-H107 WeakPolarHBondContact CB-CD2 3.22Å; C92-H107 VanDerWaalsContact CB-NE2 3.28Å; C92-H107 WeakPolarHBondContact CB-NE2 3.32Å; C92-H107 PolarHBondContact SG-CD2 3.06Å; C92-H107 PolarHBondContact SG-NE2 3.18Å; C94-H107 PolarHBondContact SG-CE1 3.02Å; C94-H107 PolarHBondContact SG-NE2 2.92Å; F98-H107 HydrophobicContact CE1-CB 3.84Å; F98-H107 HydrophobicContact CE2-CB 3.96Å; F98-H107 AromaticContact CE2-CD2 3.31Å; F98-H107 WeakPolarHBondContact CE2-CD2 3.15Å; F98-H107 AromaticContact CE2-CG 3.8Å; F98-H107 AromaticContact CE2-NE2 4Å; F98-H107 HydrophobicContact CZ-CB 3.34Å; F98-H107 AromaticContact CZ-CD2 3.29Å; F98-H107 WeakPolarHBondContact CZ-CD2 3.17Å; F98-H107 AromaticContact CZ-CG 3.28Å; F98-H107 AromaticContact CZ-NE2 3.95Å; D103-H107 WeakPolarHBondContact O-CB 2.93Å; D103-H107 PolarHBondContact O-N 3.36Å; L104-H107 WeakPolarHBondContact O-CB 3.22Å; L104-H107 PolarHBondContact O-N 2.94Å; L105-H107 PolarHBondContact O-N 3.31Å; H107-H109 VanDerWaalsContact C-N 3.3Å; H107-H109 PolarHBondContact O-N 3.16Å; H107-S110 WeakPolarHBondContact CA-OG 3.49Å; H107-S110 PolarHBondContact O-N 3.18Å; H107-S110 PolarHBondContact O-OG 2.99Å; H107-D111 IonicContact CD2-OD2 3.92Å; H107-D111 IonicContact CE1-OD1 3.31Å; H107-D111 PolarHBondContact CE1-OD1 3.06Å; H107-D111 IonicContact CE1-OD2 3.37Å; H107-D111 PolarHBondContact CE1-OD2 3.47Å; H107-D111 IonicContact CG-OD2 3.1Å; H107-D111 IonicContact ND1-OD1 3.91Å; H107-D111 PolarHBondContact ND1-OD1 3.07Å; H107-D111 IonicContact ND1-OD2 3.71Å; H107-D111 PolarHBondContact ND1-OD2 3.3Å; H107-D111 IonicContact NE2-OD2 2.78Å; H107-D111 PolarHBondContact NE2-OD2 3.47Å; H107-D111 VanDerWaalsContact NE2-OD2 3.08Å; H107-D111 PolarHBondContact O-N 3.34Å; H107-D111 VanDerWaalsContact O-N 3.09Å
108	H	68.9	Low	60.8	Low	70 Å²	70	94.5 Å²	94.5	32%	0.324	47%	0.473	S	S	.	.	H	α-helix	trans	-60.3	-40	173.7	-80.7	-56.7	0	0	0	112.5	C92 L104 L105 S110 D111	C92-H108 PolarHBondContact SG-CE1 3.22Å; L104-H108 WeakPolarHBondContact CD1-NE2 3.35Å; L104-H108 PolarHBondContact O-CD2 2.83Å; L104-H108 PolarHBondContact O-N 3.14Å; L105-H108 PolarHBondContact O-N 3.11Å; H108-S110 PolarHBondContact O-N 2.89Å; H108-D111 PolarHBondContact O-N 3.01Å
109	H	68	Low	59.3	Low	124 Å²	124	102 Å²	102	57%	0.574	51%	0.509	S	S	*	.	H	α-helix	trans	-66.3	-23	174.9	-70.6	-56.9	0	0	0	113.6	L105 Y106 H107	L105-H109 PolarHBondContact O-CD2 3.24Å; L105-H109 PolarHBondContact O-N 3.07Å; Y106-H109 PolarHBondContact O-N 2.8Å; H107-H109 VanDerWaalsContact C-N 3.3Å; H107-H109 PolarHBondContact O-N 3.16Å
110	S	61.9	Low	57.8	Low	63 Å²	63	109.9 Å²	109.9	44%	0.441	55%	0.545	S	S	.	.	H	α-helix	trans	-91.5	-16.3	178.2	65.6	0	0	0	0	114.7	Y106 H107 H108	Y106-S110 PolarHBondContact O-N 3.24Å; Y106-S110 PolarHBondContact O-OG 3.13Å; H107-S110 WeakPolarHBondContact CA-OG 3.49Å; H107-S110 PolarHBondContact O-N 3.18Å; H107-S110 PolarHBondContact O-OG 2.99Å; H108-S110 PolarHBondContact O-N 2.89Å
111	D	56.9	Low	56.1	Low	79 Å²	79	112.2 Å²	112.2	42%	0.422	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.4	-7.3	-179.7	-70.7	-18.6	0	0	0	112.6	H107 H108 D113	H107-D111 IonicContact CD2-OD2 3.92Å; H107-D111 IonicContact CE1-OD1 3.31Å; H107-D111 PolarHBondContact CE1-OD1 3.06Å; H107-D111 IonicContact CE1-OD2 3.37Å; H107-D111 PolarHBondContact CE1-OD2 3.47Å; H107-D111 IonicContact CG-OD2 3.1Å; H107-D111 IonicContact ND1-OD1 3.91Å; H107-D111 PolarHBondContact ND1-OD1 3.07Å; H107-D111 IonicContact ND1-OD2 3.71Å; H107-D111 PolarHBondContact ND1-OD2 3.3Å; H107-D111 IonicContact NE2-OD2 2.78Å; H107-D111 PolarHBondContact NE2-OD2 3.47Å; H107-D111 VanDerWaalsContact NE2-OD2 3.08Å; H107-D111 PolarHBondContact O-N 3.34Å; H107-D111 VanDerWaalsContact O-N 3.09Å; H108-D111 PolarHBondContact O-N 3.01Å; D111-D113 VanDerWaalsContact C-N 3.35Å
112	E	54.5	Low	54	Low	158 Å²	158	112.9 Å²	112.9	74%	0.738	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	5.1	178.9	-67.8	-175.9	155.5	0	0	113.9	E114	E112-E114 PolarHBondContact O-N 3.21Å
113	D	43.3	Very low	52	Low	132 Å²	132	117.3 Å²	117.3	71%	0.706	60%	0.602	S	S	*	*			trans	-91.4	58	-177	-72.4	-54.1	0	0	0	113.5	D111	D111-D113 VanDerWaalsContact C-N 3.35Å
114	E	48	Very low	50	Low	185 Å²	185	119.6 Å²	119.6	86%	0.864	62%	0.622	S	S	*	*	S	Bend	trans	-151	69.3	156.4	-73.2	-162.1	173.8	0	0	111	E112	E112-E114 PolarHBondContact O-N 3.21Å
115	E	44.2	Very low	48.4	Very low	202 Å²	202	125.9 Å²	125.9	94%	0.944	65%	0.651	S	S	*	*	S	Bend	trans	-171.2	145.9	146.6	-105.5	175.2	-159.7	0	0	112.8
116	E	48.4	Very low	46.7	Very low	185 Å²	185	132.7 Å²	132.7	86%	0.864	68%	0.678	S	S	*	*			trans	-85.5	177.4	-159.9	-102.2	-123.5	161.9	0	0	115.4
117	P	33.4	Very low	45.1	Very low	104 Å²	104	132 Å²	132	68%	0.675	68%	0.678	S	S	*	*				-90.5	149.1	-120.6	38.4	-38.4	0	0	0	115.6
118	V	36.6	Very low	43.7	Very low	133 Å²	133	135.7 Å²	135.7	81%	0.806	70%	0.703	S	S	*	*			trans	-100.7	110.1	161	-174.2	0	0	0	0	108.6	E120	V118-E120 PolarHBondContact O-N 3.23Å
119	E	33.3	Very low	42.9	Very low	193 Å²	193	136.4 Å²	136.4	90%	0.902	72%	0.721	S	S	*	*			trans	-60.8	111.3	161.5	-71.8	-162.5	154.7	0	0	108.6
120	E	37.3	Very low	41.8	Very low	167 Å²	167	137.8 Å²	137.8	78%	0.78	72%	0.722	S	S	*	*			trans	-133.3	126.9	161.8	-155.2	169.3	-159.4	0	0	110.6	V118 V122	V118-E120 PolarHBondContact O-N 3.23Å; E120-V122 PolarHBondContact O-N 2.58Å
121	T	31.1	Very low	40.6	Very low	129 Å²	129	139.4 Å²	139.4	79%	0.791	72%	0.719	S	S	*	*			trans	-54.3	115.9	-169.8	49.2	0	0	0	0	111.7	L123	T121-L123 VanDerWaalsContact C-N 3.34Å; T121-L123 PolarHBondContact O-N 3.28Å
122	V	30.6	Very low	40.3	Very low	140 Å²	140	140.1 Å²	140.1	85%	0.848	72%	0.723	S	S	*	*			trans	-68.3	94.6	172.6	-164.4	0	0	0	0	107.9	E120 S124	E120-V122 PolarHBondContact O-N 2.58Å; V122-S124 VanDerWaalsContact C-N 3.31Å; V122-S124 PolarHBondContact O-N 2.9Å
123	L	31.3	Very low	40.1	Very low	145 Å²	145	138 Å²	138	76%	0.759	71%	0.708	S	S	*	*			trans	-65.2	100.1	166.7	-157.9	78.9	0	0	0	107.2	T121 H125	T121-L123 VanDerWaalsContact C-N 3.34Å; T121-L123 PolarHBondContact O-N 3.28Å; L123-H125 VanDerWaalsContact C-N 3.33Å; L123-H125 PolarHBondContact O-N 3.39Å
124	S	29.3	Very low	40.2	Very low	106 Å²	106	135.8 Å²	135.8	74%	0.741	69%	0.694	S	S	*	*			trans	-57	88.1	175.5	151.2	0	0	0	0	110.6	V122	V122-S124 VanDerWaalsContact C-N 3.31Å; V122-S124 PolarHBondContact O-N 2.9Å
125	H	38.1	Very low	40.1	Very low	147 Å²	147	133.7 Å²	133.7	68%	0.681	68%	0.679	S	S	*	*			trans	-116.6	109.5	157.7	-87.1	-102.4	0	0	0	108.1	L123 Q127	L123-H125 VanDerWaalsContact C-N 3.33Å; L123-H125 PolarHBondContact O-N 3.39Å; H125-Q127 PolarHBondContact O-N 3.17Å
126	K	40.6	Very low	40.6	Very low	208 Å²	208	127.4 Å²	127.4	90%	0.904	66%	0.655	S	S	*	*			trans	-57.6	103.1	170.8	-74.2	-178.3	177.8	179.3	0	108.4
127	Q	38.7	Very low	41	Very low	93 Å²	93	122.6 Å²	122.6	44%	0.435	64%	0.636	S	S	.	*			trans	-64.1	132.9	170.5	-72.4	-72.6	-16.7	0	0	108.6	H125 Y131 N132	H125-Q127 PolarHBondContact O-N 3.17Å; Q127-Y131 HydrophobicContact CB-CD1 3.94Å; Q127-Y131 HydrophobicContact CB-CG 4.39Å; Q127-Y131 HydrophobicContact CG-CD1 3.92Å; Q127-Y131 HydrophobicContact CG-CE1 4.31Å; Q127-N132 PolarHBondContact O-ND2 3.47Å
128	P	44.1	Very low	41.9	Very low	86 Å²	86	123.8 Å²	123.8	56%	0.558	64%	0.644	S	S	*	*			trans	-52.9	145.7	177.9	-26.3	34	0	0	0	111.5	Y130 Y131 N132	P128-Y130 PolarHBondContact O-N 3.2Å; P128-Y131 WeakPolarHBondContact O-CA 3.26Å; P128-Y131 WeakPolarHBondContact O-CB 3.36Å; P128-Y131 PolarHBondContact O-N 3.42Å; P128-N132 PolarHBondContact O-N 3.23Å
129	A	52	Low	43.1	Very low	85 Å²	85	127.5 Å²	127.5	70%	0.702	64%	0.643	S	S	*	*	H	α-helix	trans	-54.1	-26.2	-180	0	0	0	0	0	113.5	R133	A129-R133 WeakPolarHBondContact O-CB 3.39Å; A129-R133 PolarHBondContact O-N 2.88Å
130	Y	44.5	Very low	44.5	Very low	153 Å²	153	119 Å²	119	60%	0.6	61%	0.605	S	S	*	*	H	α-helix	trans	-62.3	-44.3	171	176.9	-96.6	0	0	0	112.6	P128 R133 H134	P128-Y130 PolarHBondContact O-N 3.2Å; Y130-R133 WeakPolarHBondContact O-CB 3.28Å; Y130-R133 PolarHBondContact O-N 3.29Å; Y130-H134 AromaticContact CD2-CD2 3.56Å; Y130-H134 AromaticContact CD2-NE2 3.84Å; Y130-H134 AromaticContact CE1-CD2 3.96Å; Y130-H134 AromaticContact CE2-CD2 3.23Å; Y130-H134 WeakPolarHBondContact CE2-CD2 3.4Å; Y130-H134 AromaticContact CE2-NE2 3.3Å; Y130-H134 VanDerWaalsContact CE2-NE2 3.3Å; Y130-H134 WeakPolarHBondContact CE2-NE2 3.45Å; Y130-H134 AromaticContact CZ-CD2 3.44Å; Y130-H134 VanDerWaalsContact CZ-CD2 3.44Å; Y130-H134 AromaticContact CZ-NE2 3.83Å; Y130-H134 PolarHBondContact O-CD2 3.46Å; Y130-H134 VanDerWaalsContact O-CD2 3.29Å; Y130-H134 PolarHBondContact O-N 3.35Å
131	Y	36.8	Very low	45.9	Very low	98 Å²	98	114 Å²	114	38%	0.384	59%	0.585	S	S	.	*	H	α-helix	trans	-65.5	-48.3	-179.2	-169.3	-91.3	0	0	0	110.9	Q127 P128 R133 H134 Y135	Q127-Y131 HydrophobicContact CB-CD1 3.94Å; Q127-Y131 HydrophobicContact CB-CG 4.39Å; Q127-Y131 HydrophobicContact CG-CD1 3.92Å; Q127-Y131 HydrophobicContact CG-CE1 4.31Å; P128-Y131 WeakPolarHBondContact O-CA 3.26Å; P128-Y131 WeakPolarHBondContact O-CB 3.36Å; P128-Y131 PolarHBondContact O-N 3.42Å; Y131-R133 PolarHBondContact O-N 3.16Å; Y131-H134 PolarHBondContact O-N 2.65Å; Y131-Y135 AromaticContact CD2-CD2 3.72Å; Y131-Y135 HydrophobicContact CD2-CD2 3.72Å; Y131-Y135 HydrophobicContact CD2-CE2 4.29Å; Y131-Y135 HydrophobicContact CD2-CG 4.4Å; Y131-Y135 HydrophobicContact CE1-CD2 4.49Å; Y131-Y135 HydrophobicContact CE1-CG 4.25Å; Y131-Y135 AromaticContact CE2-CD2 3.54Å; Y131-Y135 HydrophobicContact CE2-CD2 3.54Å; Y131-Y135 HydrophobicContact CE2-CE2 4.01Å; Y131-Y135 AromaticContact CE2-CG 3.92Å; Y131-Y135 HydrophobicContact CE2-CG 3.92Å; Y131-Y135 HydrophobicContact CG-CD2 4.27Å; Y131-Y135 AromaticContact CZ-CD2 3.96Å; Y131-Y135 AromaticContact CZ-CG 3.85Å; Y131-Y135 PolarHBondContact O-N 3.18Å
132	N	49.7	Very low	47.5	Very low	94 Å²	94	112 Å²	112	50%	0.503	56%	0.564	S	S	.	*	H	α-helix	trans	-62.7	-17.5	176.3	-61.7	-30.6	0	0	0	113.8	Q127 P128	Q127-N132 PolarHBondContact O-ND2 3.47Å; P128-N132 PolarHBondContact O-N 3.23Å
133	R	50.1	Low	49	Very low	113 Å²	113	112.3 Å²	112.3	43%	0.426	55%	0.551	S	S	.	*	H	α-helix	trans	-90.1	-21.5	177.2	-162.9	-178.8	72	156.7	3.8	112.9	A129 Y130 Y131 C148	A129-R133 WeakPolarHBondContact O-CB 3.39Å; A129-R133 PolarHBondContact O-N 2.88Å; Y130-R133 WeakPolarHBondContact O-CB 3.28Å; Y130-R133 PolarHBondContact O-N 3.29Å; Y131-R133 PolarHBondContact O-N 3.16Å; R133-C148 WeakPolarHBondContact O-CB 3.49Å
134	H	46.6	Very low	50.8	Low	86 Å²	86	105.4 Å²	105.4	40%	0.398	52%	0.515	S	S	.	.	H	α-helix	trans	-111.5	-23.2	-177.1	-76.6	-69.2	0	0	0	113.3	Y130 Y131	Y130-H134 AromaticContact CD2-CD2 3.56Å; Y130-H134 AromaticContact CD2-NE2 3.84Å; Y130-H134 AromaticContact CE1-CD2 3.96Å; Y130-H134 AromaticContact CE2-CD2 3.23Å; Y130-H134 WeakPolarHBondContact CE2-CD2 3.4Å; Y130-H134 AromaticContact CE2-NE2 3.3Å; Y130-H134 VanDerWaalsContact CE2-NE2 3.3Å; Y130-H134 WeakPolarHBondContact CE2-NE2 3.45Å; Y130-H134 AromaticContact CZ-CD2 3.44Å; Y130-H134 VanDerWaalsContact CZ-CD2 3.44Å; Y130-H134 AromaticContact CZ-NE2 3.83Å; Y130-H134 PolarHBondContact O-CD2 3.46Å; Y130-H134 VanDerWaalsContact O-CD2 3.29Å; Y130-H134 PolarHBondContact O-N 3.35Å; Y131-H134 PolarHBondContact O-N 2.65Å
135	Y	46	Very low	52.6	Low	141 Å²	141	107.2 Å²	107.2	55%	0.553	51%	0.512	S	S	*	.	S	Bend	trans	-122	99.8	176.8	-70.5	-85.7	0	0	0	107.9	Y131	Y131-Y135 AromaticContact CD2-CD2 3.72Å; Y131-Y135 HydrophobicContact CD2-CD2 3.72Å; Y131-Y135 HydrophobicContact CD2-CE2 4.29Å; Y131-Y135 HydrophobicContact CD2-CG 4.4Å; Y131-Y135 HydrophobicContact CE1-CD2 4.49Å; Y131-Y135 HydrophobicContact CE1-CG 4.25Å; Y131-Y135 AromaticContact CE2-CD2 3.54Å; Y131-Y135 HydrophobicContact CE2-CD2 3.54Å; Y131-Y135 HydrophobicContact CE2-CE2 4.01Å; Y131-Y135 AromaticContact CE2-CG 3.92Å; Y131-Y135 HydrophobicContact CE2-CG 3.92Å; Y131-Y135 HydrophobicContact CG-CD2 4.27Å; Y131-Y135 AromaticContact CZ-CD2 3.96Å; Y131-Y135 AromaticContact CZ-CG 3.85Å; Y131-Y135 PolarHBondContact O-N 3.18Å
136	P	54.2	Low	53.8	Low	69 Å²	69	103.2 Å²	103.2	45%	0.448	49%	0.493	S	S	.	.			trans	-62.4	150.8	-177.5	23.8	-30.9	0	0	0	110.9
137	D	56	Low	55.3	Low	84 Å²	84	95.5 Å²	95.5	45%	0.449	46%	0.464	S	S	.	.			trans	-44.6	125	166.5	-179.6	-17.9	0	0	0	108.2	R139 S140 S150	D137-R139 PolarHBondContact O-N 2.93Å; D137-R139 VanDerWaalsContact OD1-CB 3.27Å; D137-R139 WeakPolarHBondContact OD1-CB 3.32Å; D137-R139 WeakPolarHBondContact OD1-CG 3.14Å; D137-R139 PolarHBondContact OD1-N 3.38Å; D137-S140 WeakPolarHBondContact O-CA 3.46Å; D137-S140 WeakPolarHBondContact O-CB 3.32Å; D137-S140 PolarHBondContact O-N 3.08Å; D137-S150 PolarHBondContact N-OG 3.49Å
138	P	54.1	Low	56.6	Low	130 Å²	130	94.2 Å²	94.2	84%	0.844	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.3	-179.5	21.5	-31.5	0	0	0	112.8	S140	P138-S140 VanDerWaalsContact C-N 3.28Å
139	R	60.4	Low	57.7	Low	210 Å²	210	97.9 Å²	97.9	79%	0.792	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-6.7	173.3	-58.3	176.9	173.8	176.3	-2.8	113.7	D137	D137-R139 PolarHBondContact O-N 2.93Å; D137-R139 VanDerWaalsContact OD1-CB 3.27Å; D137-R139 WeakPolarHBondContact OD1-CB 3.32Å; D137-R139 WeakPolarHBondContact OD1-CG 3.14Å; D137-R139 PolarHBondContact OD1-N 3.38Å
140	S	64	Low	58.4	Low	15 Å²	15	95.3 Å²	95.3	11%	0.105	44%	0.444	C	S	.	.			trans	-96.8	105.2	-177.4	166	0	0	0	0	111.1	D137 P138 Y142 S150 Y151	D137-S140 WeakPolarHBondContact O-CA 3.46Å; D137-S140 WeakPolarHBondContact O-CB 3.32Å; D137-S140 PolarHBondContact O-N 3.08Å; P138-S140 VanDerWaalsContact C-N 3.28Å; S140-Y142 PolarHBondContact OG-O 2.76Å; S140-S150 VanDerWaalsContact CB-CB 3.48Å; S140-S150 WeakPolarHBondContact CB-OG 3.39Å; S140-S150 VanDerWaalsContact OG-CA 3.25Å; S140-S150 WeakPolarHBondContact OG-CA 2.86Å; S140-S150 WeakPolarHBondContact OG-CB 3.35Å; S140-Y151 VanDerWaalsContact OG-C 3.28Å; S140-Y151 PolarHBondContact OG-N 3.04Å; S140-Y151 PolarHBondContact OG-O 2.79Å
141	V	66.6	Low	59.6	Low	61 Å²	61	89.4 Å²	89.4	37%	0.37	42%	0.421	S	S	.	.			trans	-88.7	-3	176.3	-57.2	0	0	0	0	114.1	Y106 Y151	Y106-V141 HydrophobicContact CD1-CB 4.08Å; Y106-V141 HydrophobicContact CD1-CG1 4.21Å; Y106-V141 HydrophobicContact CE1-CB 4.06Å; Y106-V141 HydrophobicContact CE1-CG1 4.37Å; V141-Y151 PolarHBondContact N-O 3.38Å
142	Y	63.9	Low	61.2	Low	88 Å²	88	94.1 Å²	94.1	35%	0.345	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	140.6	177.4	-58.5	-82.8	0	0	0	111.1	S140 S150 Y151 S153 S154 L157	S140-Y142 PolarHBondContact OG-O 2.76Å; Y142-S150 CarbonylContact O-C 3.56Å; Y142-S150 WeakPolarHBondContact O-CA 3.41Å; Y142-Y151 WeakPolarHBondContact CB-O 3.49Å; Y142-Y151 PolarHBondContact N-O 3.01Å; Y142-Y151 PolarHBondContact O-N 3.14Å; Y142-S153 VanDerWaalsContact CE2-CA 3.41Å; Y142-S154 VanDerWaalsContact CE1-CB 3.46Å; Y142-L157 HydrophobicContact CD1-CD2 4.48Å
143	Y	61.6	Low	62.2	Low	146 Å²	146	91.2 Å²	91.2	57%	0.573	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.6	146.5	177.6	61.5	-86.7	0	0	0	112.1	R149 L157	Y143-R149 CarbonylContact C-O 3.45Å; Y143-R149 WeakPolarHBondContact CA-O 3.41Å; Y143-L157 WeakPolarHBondContact O-CD2 3.37Å
144	C	69.3	Low	63.5	Low	0 Å²	0	89.1 Å²	89.1	0%	0	43%	0.428	C	S	.	.			trans	-80.1	120	171.5	-178.4	0	0	0	0	110.3	F146 C147 C148 R149 Y151 L157 H160 H164	C144-F146 PolarHBondContact O-N 3.35Å; C144-F146 PolarHBondContact SG-N 3.5Å; C144-C147 VanDerWaalsContact SG-SG 3.7Å; C144-C148 WeakPolarHBondContact O-CA 3.47Å; C144-C148 PolarHBondContact O-N 3.25Å; C144-R149 PolarHBondContact N-O 3.37Å; C144-Y151 HydrophobicContact CB-CE2 3.97Å; C144-L157 HydrophobicContact CB-CD1 3.98Å; C144-H160 VanDerWaalsContact CB-CD2 3.46Å; C144-H160 WeakPolarHBondContact CB-CD2 3.47Å; C144-H160 VanDerWaalsContact CB-NE2 3.28Å; C144-H160 WeakPolarHBondContact CB-NE2 3.14Å; C144-H160 VanDerWaalsContact SG-CD2 3.57Å; C144-H160 PolarHBondContact SG-NE2 3.48Å; C144-H164 PolarHBondContact SG-NE2 3.31Å
145	Q	67.6	Low	65	Low	145 Å²	145	90.1 Å²	90.1	68%	0.678	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-17.4	173.5	67	-174	11.3	0	0	114.4
146	F	63.8	Low	66.5	Low	63 Å²	63	85.6 Å²	85.6	28%	0.276	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-30.2	-177.6	-54.2	-59.3	0	0	0	113.5	L41 C144 L161 H164	L41-F146 HydrophobicContact CD1-CD1 3.81Å; L41-F146 HydrophobicContact CD1-CE1 3.48Å; L41-F146 VanDerWaalsContact CD1-CE1 3.48Å; L41-F146 HydrophobicContact CD2-CD1 3.98Å; L41-F146 HydrophobicContact CD2-CE1 3.63Å; L41-F146 HydrophobicContact CD2-CZ 4.08Å; L41-F146 HydrophobicContact CG-CE1 4.23Å; C144-F146 PolarHBondContact O-N 3.35Å; C144-F146 PolarHBondContact SG-N 3.5Å; F146-L161 HydrophobicContact CD2-CD2 3.86Å; F146-L161 HydrophobicContact CE2-CD2 3.81Å; F146-H164 VanDerWaalsContact CB-CE1 3.43Å; F146-H164 WeakPolarHBondContact CB-CE1 3.47Å; F146-H164 HydrophobicContact CD2-CB 4.13Å; F146-H164 AromaticContact CD2-CD2 3.58Å; F146-H164 AromaticContact CD2-CG 3.71Å
147	C	71.9	Confident	67.7	Low	46 Å²	46	83.6 Å²	83.6	31%	0.311	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.2	5.8	-178	69.4	0	0	0	0	115	C144 R149 H160	C144-C147 VanDerWaalsContact SG-SG 3.7Å; C147-R149 PolarHBondContact O-N 3.13Å; C147-R149 VanDerWaalsContact O-N 3.07Å; C147-R149 VanDerWaalsContact SG-CB 3.5Å; C147-H160 VanDerWaalsContact SG-CE1 3.53Å; C147-H160 PolarHBondContact SG-NE2 3.42Å
148	C	64.6	Low	68.8	Low	65 Å²	65	85.2 Å²	85.2	44%	0.439	41%	0.406	S	S	.	.			trans	56.4	20	-178.4	-55	0	0	0	0	114.4	R133 C144	R133-C148 WeakPolarHBondContact O-CB 3.49Å; C144-C148 WeakPolarHBondContact O-CA 3.47Å; C144-C148 PolarHBondContact O-N 3.25Å
149	R	68.9	Low	69.7	Low	164 Å²	164	83.7 Å²	83.7	62%	0.619	38%	0.384	S	S	*	.			trans	-76	139.1	176	-166.2	161.2	-176.2	163.6	4	110.1	Y143 C144 C147 Y151	Y143-R149 CarbonylContact C-O 3.45Å; Y143-R149 WeakPolarHBondContact CA-O 3.41Å; C144-R149 PolarHBondContact N-O 3.37Å; C147-R149 PolarHBondContact O-N 3.13Å; C147-R149 VanDerWaalsContact O-N 3.07Å; C147-R149 VanDerWaalsContact SG-CB 3.5Å; R149-Y151 HydrophobicContact CB-CE2 3.95Å; R149-Y151 WeakPolarHBondContact CB-OH 3.43Å; R149-Y151 VanDerWaalsContact CD-OH 3.26Å; R149-Y151 WeakPolarHBondContact CD-OH 3.41Å; R149-Y151 HydrophobicContact CG-CE2 4.15Å; R149-Y151 WeakPolarHBondContact CG-OH 3.42Å; R149-Y151 WeakPolarHBondContact O-CD2 3.41Å; R149-Y151 WeakPolarHBondContact O-CE2 3.48Å
150	S	66.7	Low	70.6	Confident	30 Å²	30	75 Å²	75	21%	0.21	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	144	-175.6	81.2	0	0	0	0	110.1	D137 S140 Y142	D137-S150 PolarHBondContact N-OG 3.49Å; S140-S150 VanDerWaalsContact CB-CB 3.48Å; S140-S150 WeakPolarHBondContact CB-OG 3.39Å; S140-S150 VanDerWaalsContact OG-CA 3.25Å; S140-S150 WeakPolarHBondContact OG-CA 2.86Å; S140-S150 WeakPolarHBondContact OG-CB 3.35Å; Y142-S150 CarbonylContact O-C 3.56Å; Y142-S150 WeakPolarHBondContact O-CA 3.41Å
151	Y	69.5	Low	71	Confident	30 Å²	30	77 Å²	77	12%	0.118	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137.6	-179	-60.1	-83.8	0	0	0	111.4	S140 V141 Y142 C144 R149 S153 D156 L157 H160	S140-Y151 VanDerWaalsContact OG-C 3.28Å; S140-Y151 PolarHBondContact OG-N 3.04Å; S140-Y151 PolarHBondContact OG-O 2.79Å; V141-Y151 PolarHBondContact N-O 3.38Å; Y142-Y151 WeakPolarHBondContact CB-O 3.49Å; Y142-Y151 PolarHBondContact N-O 3.01Å; Y142-Y151 PolarHBondContact O-N 3.14Å; C144-Y151 HydrophobicContact CB-CE2 3.97Å; R149-Y151 HydrophobicContact CB-CE2 3.95Å; R149-Y151 WeakPolarHBondContact CB-OH 3.43Å; R149-Y151 VanDerWaalsContact CD-OH 3.26Å; R149-Y151 WeakPolarHBondContact CD-OH 3.41Å; R149-Y151 HydrophobicContact CG-CE2 4.15Å; R149-Y151 WeakPolarHBondContact CG-OH 3.42Å; R149-Y151 WeakPolarHBondContact O-CD2 3.41Å; R149-Y151 WeakPolarHBondContact O-CE2 3.48Å; Y151-S153 VanDerWaalsContact C-N 3.28Å; Y151-S153 PolarHBondContact O-N 3.45Å; Y151-D156 HydrophobicContact CD1-CB 3.77Å; Y151-D156 HydrophobicContact CG-CB 4.31Å; Y151-L157 HydrophobicContact CD2-CB 3.97Å; Y151-L157 HydrophobicContact CD2-CD1 3.72Å; Y151-L157 HydrophobicContact CD2-CG 4.43Å; Y151-L157 HydrophobicContact CE2-CD1 3.91Å; Y151-L157 HydrophobicContact CG-CB 4.07Å; Y151-H160 HydrophobicContact CD1-CB 4.46Å; Y151-H160 HydrophobicContact CE1-CB 3.6Å; Y151-H160 AromaticContact CE1-CG 3.96Å; Y151-H160 HydrophobicContact CE2-CB 4.05Å; Y151-H160 AromaticContact CE2-CD2 3.45Å; Y151-H160 VanDerWaalsContact CE2-CD2 3.45Å; Y151-H160 WeakPolarHBondContact CE2-CD2 3.24Å; Y151-H160 AromaticContact CE2-CG 3.81Å; Y151-H160 AromaticContact CZ-CD2 3.38Å; Y151-H160 AromaticContact CZ-CG 3.24Å; Y151-H160 AromaticContact CZ-ND1 3.82Å; Y151-H160 AromaticContact CZ-NE2 3.94Å; Y151-H160 WeakPolarHBondContact OH-CB 3.48Å; Y151-H160 PolarHBondContact OH-CD2 3.48Å; Y151-H160 PolarHBondContact OH-CE1 3.31Å; Y151-H160 PolarHBondContact OH-ND1 2.87Å; Y151-H160 PolarHBondContact OH-NE2 2.84Å; Y151-H160 VanDerWaalsContact OH-NE2 3.16Å
152	R	70.6	Confident	71.4	Confident	196 Å²	196	77.2 Å²	77.2	74%	0.74	36%	0.356	S	S	*	.	S	Bend	trans	-71.7	-16.4	176.2	65.3	-175.9	173.8	-148.9	-0.3	114.3	D156	R152-D156 WeakPolarHBondContact CG-OD2 3.34Å; R152-D156 IonicContact CZ-OD2 3.9Å; R152-D156 IonicContact NE-OD2 2.87Å; R152-D156 PolarHBondContact NE-OD2 2.91Å; R152-D156 VanDerWaalsContact NE-OD2 3.09Å; R152-D156 IonicContact NH2-OD2 3.09Å
153	S	70.4	Confident	71.7	Confident	34 Å²	34	76.8 Å²	76.8	24%	0.238	37%	0.366	C	S	.	.	S	Bend	trans	-144.7	153.4	-178.1	77.1	0	0	0	0	112.8	Y142 Y151 H155 D156 L157	Y142-S153 VanDerWaalsContact CE2-CA 3.41Å; Y151-S153 VanDerWaalsContact C-N 3.28Å; Y151-S153 PolarHBondContact O-N 3.45Å; S153-H155 PolarHBondContact O-N 3.12Å; S153-D156 PolarHBondContact O-N 3.48Å; S153-D156 WeakPolarHBondContact OG-CB 3.29Å; S153-D156 PolarHBondContact OG-N 2.91Å; S153-D156 PolarHBondContact OG-OD2 3.36Å; S153-L157 PolarHBondContact O-N 2.91Å; S153-L157 VanDerWaalsContact O-N 3.11Å
154	S	76.9	Confident	72.1	Confident	68 Å²	68	72.8 Å²	72.8	48%	0.476	35%	0.353	S	S	.	.	H	α-helix	trans	-63.8	-31.3	176.1	59.5	0	0	0	0	111.5	Y142 K158	Y142-S154 VanDerWaalsContact CE1-CB 3.46Å; S154-K158 WeakPolarHBondContact O-CB 3.49Å; S154-K158 PolarHBondContact O-N 3.4Å
155	H	78.6	Confident	71.8	Confident	108 Å²	108	81.5 Å²	81.5	50%	0.5	39%	0.385	S	S	.	.	H	α-helix	trans	-62.8	-51.4	173.8	-172.1	92.2	0	0	0	110.7	S153 L157 K158 Y159	S153-H155 PolarHBondContact O-N 3.12Å; H155-L157 VanDerWaalsContact C-N 3.31Å; H155-L157 PolarHBondContact O-N 3.19Å; H155-K158 WeakPolarHBondContact O-CB 3.43Å; H155-K158 PolarHBondContact O-N 3.37Å; H155-K158 VanDerWaalsContact O-N 3.14Å; H155-Y159 AromaticContact CD2-CD2 3.73Å; H155-Y159 AromaticContact CD2-CE2 3.78Å; H155-Y159 AromaticContact CE1-CD2 3.9Å; H155-Y159 AromaticContact CE1-CE2 3.17Å; H155-Y159 WeakPolarHBondContact CE1-CE2 3.46Å; H155-Y159 AromaticContact CE1-CZ 3.94Å; H155-Y159 AromaticContact ND1-CE2 3.74Å; H155-Y159 AromaticContact NE2-CD2 3.58Å; H155-Y159 AromaticContact NE2-CE2 3.15Å; H155-Y159 WeakPolarHBondContact NE2-CE2 3.37Å; H155-Y159 AromaticContact NE2-CZ 3.84Å; H155-Y159 WeakPolarHBondContact O-CD2 3.46Å; H155-Y159 PolarHBondContact O-N 3.46Å
156	D	77.9	Confident	71	Confident	45 Å²	45	78 Å²	78	24%	0.241	39%	0.388	C	S	.	.	H	α-helix	trans	-60.1	-41.8	178.8	-65.6	-43.9	0	0	0	111.3	Y151 R152 S153 Y159 H160	Y151-D156 HydrophobicContact CD1-CB 3.77Å; Y151-D156 HydrophobicContact CG-CB 4.31Å; R152-D156 WeakPolarHBondContact CG-OD2 3.34Å; R152-D156 IonicContact CZ-OD2 3.9Å; R152-D156 IonicContact NE-OD2 2.87Å; R152-D156 PolarHBondContact NE-OD2 2.91Å; R152-D156 VanDerWaalsContact NE-OD2 3.09Å; R152-D156 IonicContact NH2-OD2 3.09Å; S153-D156 PolarHBondContact O-N 3.48Å; S153-D156 WeakPolarHBondContact OG-CB 3.29Å; S153-D156 PolarHBondContact OG-N 2.91Å; S153-D156 PolarHBondContact OG-OD2 3.36Å; D156-Y159 PolarHBondContact O-N 2.76Å; D156-H160 WeakPolarHBondContact O-CB 3.49Å; D156-H160 PolarHBondContact O-N 3.32Å
157	L	79.5	Confident	70	Confident	27 Å²	27	80 Å²	80	14%	0.141	40%	0.398	C	S	.	.	H	α-helix	trans	-61	-50.5	173	174.3	59.6	0	0	0	111.2	Y142 Y143 C144 Y151 S153 H155 Y159 H160 L161	Y142-L157 HydrophobicContact CD1-CD2 4.48Å; Y143-L157 WeakPolarHBondContact O-CD2 3.37Å; C144-L157 HydrophobicContact CB-CD1 3.98Å; Y151-L157 HydrophobicContact CD2-CB 3.97Å; Y151-L157 HydrophobicContact CD2-CD1 3.72Å; Y151-L157 HydrophobicContact CD2-CG 4.43Å; Y151-L157 HydrophobicContact CE2-CD1 3.91Å; Y151-L157 HydrophobicContact CG-CB 4.07Å; S153-L157 PolarHBondContact O-N 2.91Å; S153-L157 VanDerWaalsContact O-N 3.11Å; H155-L157 VanDerWaalsContact C-N 3.31Å; H155-L157 PolarHBondContact O-N 3.19Å; L157-Y159 VanDerWaalsContact C-N 3.29Å; L157-Y159 PolarHBondContact O-N 2.8Å; L157-H160 CarbonylContact O-C 3.58Å; L157-H160 WeakPolarHBondContact O-CA 3.37Å; L157-H160 WeakPolarHBondContact O-CB 3.41Å; L157-H160 PolarHBondContact O-N 2.91Å; L157-L161 HydrophobicContact CD1-CD2 4Å; L157-L161 HydrophobicContact CD1-CG 4.1Å; L157-L161 HydrophobicContact CG-CD1 4.41Å; L157-L161 HydrophobicContact CG-CG 4.34Å; L157-L161 WeakPolarHBondContact O-CG 3.46Å; L157-L161 PolarHBondContact O-N 3.32Å
158	K	77.9	Confident	68.7	Low	118 Å²	118	89.5 Å²	89.5	51%	0.513	43%	0.428	S	S	.	.	H	α-helix	trans	-55	-44.7	179.4	-179.3	-179.4	179	179.5	0	111.8	S154 H155 H160 L161 Y162	S154-K158 WeakPolarHBondContact O-CB 3.49Å; S154-K158 PolarHBondContact O-N 3.4Å; H155-K158 WeakPolarHBondContact O-CB 3.43Å; H155-K158 PolarHBondContact O-N 3.37Å; H155-K158 VanDerWaalsContact O-N 3.14Å; K158-H160 VanDerWaalsContact C-N 3.34Å; K158-L161 WeakPolarHBondContact O-CB 3.39Å; K158-L161 PolarHBondContact O-N 3.13Å; K158-Y162 WeakPolarHBondContact CE-OH 3.38Å; K158-Y162 HydrophobicContact CG-CE2 4.34Å; K158-Y162 PolarHBondContact O-N 3.12Å
159	Y	74.2	Confident	67.5	Low	98 Å²	98	88.4 Å²	88.4	38%	0.384	42%	0.424	S	S	.	.	H	α-helix	trans	-67	-38.6	177.3	-87.8	-96.3	0	0	0	112.4	H155 D156 L157 L161 Y162 F170	H155-Y159 AromaticContact CD2-CD2 3.73Å; H155-Y159 AromaticContact CD2-CE2 3.78Å; H155-Y159 AromaticContact CE1-CD2 3.9Å; H155-Y159 AromaticContact CE1-CE2 3.17Å; H155-Y159 WeakPolarHBondContact CE1-CE2 3.46Å; H155-Y159 AromaticContact CE1-CZ 3.94Å; H155-Y159 AromaticContact ND1-CE2 3.74Å; H155-Y159 AromaticContact NE2-CD2 3.58Å; H155-Y159 AromaticContact NE2-CE2 3.15Å; H155-Y159 WeakPolarHBondContact NE2-CE2 3.37Å; H155-Y159 AromaticContact NE2-CZ 3.84Å; H155-Y159 WeakPolarHBondContact O-CD2 3.46Å; H155-Y159 PolarHBondContact O-N 3.46Å; D156-Y159 PolarHBondContact O-N 2.76Å; L157-Y159 VanDerWaalsContact C-N 3.29Å; L157-Y159 PolarHBondContact O-N 2.8Å; Y159-L161 VanDerWaalsContact C-N 3.31Å; Y159-L161 PolarHBondContact O-N 2.77Å; Y159-Y162 HydrophobicContact CD1-CD2 4.39Å; Y159-Y162 WeakPolarHBondContact O-CB 3.46Å; Y159-Y162 PolarHBondContact O-N 3.28Å; Y159-F170 HydrophobicContact CE1-CD2 4.08Å; Y159-F170 AromaticContact CE1-CE2 3.94Å; Y159-F170 HydrophobicContact CE1-CE2 3.94Å; Y159-F170 AromaticContact CZ-CE2 3.91Å; Y159-F170 VanDerWaalsContact OH-CE2 3.24Å; Y159-F170 WeakPolarHBondContact OH-CE2 3.4Å
160	H	78.9	Confident	66.2	Low	27 Å²	27	86.8 Å²	86.8	13%	0.125	42%	0.421	C	S	.	.	H	α-helix	trans	-61.9	-38.8	171.5	167.4	67.4	0	0	0	112.6	C144 C147 Y151 D156 L157 K158 Y162 S163 H164	C144-H160 VanDerWaalsContact CB-CD2 3.46Å; C144-H160 WeakPolarHBondContact CB-CD2 3.47Å; C144-H160 VanDerWaalsContact CB-NE2 3.28Å; C144-H160 WeakPolarHBondContact CB-NE2 3.14Å; C144-H160 VanDerWaalsContact SG-CD2 3.57Å; C144-H160 PolarHBondContact SG-NE2 3.48Å; C147-H160 VanDerWaalsContact SG-CE1 3.53Å; C147-H160 PolarHBondContact SG-NE2 3.42Å; Y151-H160 HydrophobicContact CD1-CB 4.46Å; Y151-H160 HydrophobicContact CE1-CB 3.6Å; Y151-H160 AromaticContact CE1-CG 3.96Å; Y151-H160 HydrophobicContact CE2-CB 4.05Å; Y151-H160 AromaticContact CE2-CD2 3.45Å; Y151-H160 VanDerWaalsContact CE2-CD2 3.45Å; Y151-H160 WeakPolarHBondContact CE2-CD2 3.24Å; Y151-H160 AromaticContact CE2-CG 3.81Å; Y151-H160 AromaticContact CZ-CD2 3.38Å; Y151-H160 AromaticContact CZ-CG 3.24Å; Y151-H160 AromaticContact CZ-ND1 3.82Å; Y151-H160 AromaticContact CZ-NE2 3.94Å; Y151-H160 WeakPolarHBondContact OH-CB 3.48Å; Y151-H160 PolarHBondContact OH-CD2 3.48Å; Y151-H160 PolarHBondContact OH-CE1 3.31Å; Y151-H160 PolarHBondContact OH-ND1 2.87Å; Y151-H160 PolarHBondContact OH-NE2 2.84Å; Y151-H160 VanDerWaalsContact OH-NE2 3.16Å; D156-H160 WeakPolarHBondContact O-CB 3.49Å; D156-H160 PolarHBondContact O-N 3.32Å; L157-H160 CarbonylContact O-C 3.58Å; L157-H160 WeakPolarHBondContact O-CA 3.37Å; L157-H160 WeakPolarHBondContact O-CB 3.41Å; L157-H160 PolarHBondContact O-N 2.91Å; K158-H160 VanDerWaalsContact C-N 3.34Å; H160-Y162 PolarHBondContact O-N 3Å; H160-S163 PolarHBondContact ND1-OG 3.33Å; H160-S163 VanDerWaalsContact O-CB 3.29Å; H160-S163 WeakPolarHBondContact O-CB 3.36Å; H160-S163 PolarHBondContact O-N 3.38Å; H160-S163 PolarHBondContact O-OG 3.31Å; H160-H164 AromaticContact CD2-NE2 3.82Å; H160-H164 AromaticContact CE1-CD2 3.91Å; H160-H164 AromaticContact CE1-NE2 3.23Å; H160-H164 PolarHBondContact CE1-NE2 3.48Å; H160-H164 AromaticContact NE2-CD2 3.63Å; H160-H164 AromaticContact NE2-NE2 2.92Å; H160-H164 PolarHBondContact NE2-NE2 2.91Å
161	L	71.9	Confident	64.6	Low	57 Å²	57	92.5 Å²	92.5	30%	0.298	46%	0.455	S	S	.	.	H	α-helix	trans	-59.2	-29.1	178.5	-64.5	179.2	0	0	0	112.7	F146 L157 K158 Y159 S163 H164 R165	F146-L161 HydrophobicContact CD2-CD2 3.86Å; F146-L161 HydrophobicContact CE2-CD2 3.81Å; L157-L161 HydrophobicContact CD1-CD2 4Å; L157-L161 HydrophobicContact CD1-CG 4.1Å; L157-L161 HydrophobicContact CG-CD1 4.41Å; L157-L161 HydrophobicContact CG-CG 4.34Å; L157-L161 WeakPolarHBondContact O-CG 3.46Å; L157-L161 PolarHBondContact O-N 3.32Å; K158-L161 WeakPolarHBondContact O-CB 3.39Å; K158-L161 PolarHBondContact O-N 3.13Å; Y159-L161 VanDerWaalsContact C-N 3.31Å; Y159-L161 PolarHBondContact O-N 2.77Å; L161-S163 VanDerWaalsContact C-N 3.27Å; L161-S163 PolarHBondContact O-N 2.88Å; L161-H164 WeakPolarHBondContact O-CB 3.41Å; L161-H164 PolarHBondContact O-N 3.29Å; L161-R165 PolarHBondContact O-N 3.23Å
162	Y	74.7	Confident	63.2	Low	67 Å²	67	96.7 Å²	96.7	26%	0.263	48%	0.478	S	S	.	.	H	α-helix	trans	-63.2	-31.8	172.3	-67.2	-51.3	0	0	0	113.4	K158 Y159 H160 H164 R165 G166 E167 A169	K158-Y162 WeakPolarHBondContact CE-OH 3.38Å; K158-Y162 HydrophobicContact CG-CE2 4.34Å; K158-Y162 PolarHBondContact O-N 3.12Å; Y159-Y162 HydrophobicContact CD1-CD2 4.39Å; Y159-Y162 WeakPolarHBondContact O-CB 3.46Å; Y159-Y162 PolarHBondContact O-N 3.28Å; H160-Y162 PolarHBondContact O-N 3Å; Y162-H164 PolarHBondContact O-N 2.65Å; Y162-R165 PolarHBondContact O-N 3.32Å; Y162-R165 VanDerWaalsContact O-N 3.13Å; Y162-G166 PolarHBondContact O-N 3.36Å; Y162-E167 WeakPolarHBondContact CB-O 3.09Å; Y162-E167 PolarHBondContact O-N 3.1Å; Y162-A169 HydrophobicContact CD1-CB 4.36Å; Y162-A169 HydrophobicContact CD2-CB 3.75Å; Y162-A169 HydrophobicContact CE1-CB 4.43Å; Y162-A169 HydrophobicContact CE2-CB 3.85Å; Y162-A169 HydrophobicContact CG-CB 4.06Å
163	S	69.8	Low	61.3	Low	79 Å²	79	91.1 Å²	91.1	55%	0.552	48%	0.482	S	S	*	.	H	α-helix	trans	-64.2	-27.8	176.1	74.1	0	0	0	0	113	H160 L161	H160-S163 PolarHBondContact ND1-OG 3.33Å; H160-S163 VanDerWaalsContact O-CB 3.29Å; H160-S163 WeakPolarHBondContact O-CB 3.36Å; H160-S163 PolarHBondContact O-N 3.38Å; H160-S163 PolarHBondContact O-OG 3.31Å; L161-S163 VanDerWaalsContact C-N 3.27Å; L161-S163 PolarHBondContact O-N 2.88Å
164	H	70.6	Confident	59.5	Low	62 Å²	62	94.4 Å²	94.4	29%	0.287	51%	0.505	S	S	.	.	H	α-helix	trans	-75.8	-32	173.8	-69.4	-70.8	0	0	0	112.9	C144 F146 H160 L161 Y162 G166	C144-H164 PolarHBondContact SG-NE2 3.31Å; F146-H164 VanDerWaalsContact CB-CE1 3.43Å; F146-H164 WeakPolarHBondContact CB-CE1 3.47Å; F146-H164 HydrophobicContact CD2-CB 4.13Å; F146-H164 AromaticContact CD2-CD2 3.58Å; F146-H164 AromaticContact CD2-CG 3.71Å; H160-H164 AromaticContact CD2-NE2 3.82Å; H160-H164 AromaticContact CE1-CD2 3.91Å; H160-H164 AromaticContact CE1-NE2 3.23Å; H160-H164 PolarHBondContact CE1-NE2 3.48Å; H160-H164 AromaticContact NE2-CD2 3.63Å; H160-H164 AromaticContact NE2-NE2 2.92Å; H160-H164 PolarHBondContact NE2-NE2 2.91Å; L161-H164 WeakPolarHBondContact O-CB 3.41Å; L161-H164 PolarHBondContact O-N 3.29Å; Y162-H164 PolarHBondContact O-N 2.65Å; H164-G166 VanDerWaalsContact C-N 3.31Å
165	R	62.2	Low	57.4	Low	182 Å²	182	96.5 Å²	96.5	69%	0.687	52%	0.519	S	S	*	.	H	α-helix	trans	-83.1	-7.5	-179.8	-67	-172.1	169.9	-170.7	-3.2	113.4	L161 Y162 E167	L161-R165 PolarHBondContact O-N 3.23Å; Y162-R165 PolarHBondContact O-N 3.32Å; Y162-R165 VanDerWaalsContact O-N 3.13Å; R165-E167 HydrophobicContact CB-CB 4.23Å; R165-E167 HydrophobicContact CB-CG 4.03Å; R165-E167 PolarHBondContact O-N 3.18Å; R165-E167 VanDerWaalsContact O-N 3.12Å
166	G	52.8	Low	55.1	Low	71 Å²	71	102 Å²	102	73%	0.732	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	8.5	-172.3	0	0	0	0	0	113.3	Y162 H164 R168	Y162-G166 PolarHBondContact O-N 3.36Å; H164-G166 VanDerWaalsContact C-N 3.31Å; G166-R168 PolarHBondContact O-N 3.24Å
167	E	42.7	Very low	52.8	Low	106 Å²	106	110.7 Å²	110.7	50%	0.495	57%	0.567	S	S	.	*			trans	-87.2	101.3	-179.3	-71.7	174	175	0	0	107.8	Y162 R165 A169	Y162-E167 WeakPolarHBondContact CB-O 3.09Å; Y162-E167 PolarHBondContact O-N 3.1Å; R165-E167 HydrophobicContact CB-CB 4.23Å; R165-E167 HydrophobicContact CB-CG 4.03Å; R165-E167 PolarHBondContact O-N 3.18Å; R165-E167 VanDerWaalsContact O-N 3.12Å; E167-A169 VanDerWaalsContact C-N 3.31Å; E167-A169 PolarHBondContact O-N 2.87Å
168	R	44.4	Very low	50.7	Low	246 Å²	246	117.6 Å²	117.6	93%	0.928	60%	0.603	S	S	*	*			trans	-68	93.6	166.9	-83.7	-177.9	146.2	98.9	-2.5	108.6	G166 F170	G166-R168 PolarHBondContact O-N 3.24Å; R168-F170 PolarHBondContact O-N 3.02Å
169	A	37.7	Very low	48.7	Very low	42 Å²	42	120 Å²	120	35%	0.347	62%	0.618	S	S	.	*			trans	-66.9	121.5	167.1	0	0	0	0	0	108.4	Y162 E167	Y162-A169 HydrophobicContact CD1-CB 4.36Å; Y162-A169 HydrophobicContact CD2-CB 3.75Å; Y162-A169 HydrophobicContact CE1-CB 4.43Å; Y162-A169 HydrophobicContact CE2-CB 3.85Å; Y162-A169 HydrophobicContact CG-CB 4.06Å; E167-A169 VanDerWaalsContact C-N 3.31Å; E167-A169 PolarHBondContact O-N 2.87Å
170	F	42.9	Very low	46.5	Very low	130 Å²	130	123.2 Å²	123.2	57%	0.57	64%	0.642	S	S	*	*			trans	91.8	92.6	176.9	-55.2	-74.8	0	0	0	117.9	Y159 R168 I172	Y159-F170 HydrophobicContact CE1-CD2 4.08Å; Y159-F170 AromaticContact CE1-CE2 3.94Å; Y159-F170 HydrophobicContact CE1-CE2 3.94Å; Y159-F170 AromaticContact CZ-CE2 3.91Å; Y159-F170 VanDerWaalsContact OH-CE2 3.24Å; Y159-F170 WeakPolarHBondContact OH-CE2 3.4Å; R168-F170 PolarHBondContact O-N 3.02Å; F170-I172 HydrophobicContact CB-CG1 4.36Å; F170-I172 HydrophobicContact CD1-CD1 3.25Å; F170-I172 HydrophobicContact CD1-CG1 3.72Å; F170-I172 HydrophobicContact CE1-CD1 3.67Å; F170-I172 HydrophobicContact CG-CD1 4.25Å; F170-I172 HydrophobicContact CG-CG1 4.5Å; F170-I172 PolarHBondContact O-N 2.87Å
171	T	33.4	Very low	44.4	Very low	149 Å²	149	133.6 Å²	133.6	91%	0.914	68%	0.68	S	S	*	*			trans	-79.8	85.9	134.9	52.9	0	0	0	0	108.1
172	I	39.7	Very low	43	Very low	118 Å²	118	143.3 Å²	143.3	61%	0.605	73%	0.727	S	S	*	*			trans	-115.8	107.4	162.9	-69.6	178.2	0	0	0	106.7	F170 S174	F170-I172 HydrophobicContact CB-CG1 4.36Å; F170-I172 HydrophobicContact CD1-CD1 3.25Å; F170-I172 HydrophobicContact CD1-CG1 3.72Å; F170-I172 HydrophobicContact CE1-CD1 3.67Å; F170-I172 HydrophobicContact CG-CD1 4.25Å; F170-I172 HydrophobicContact CG-CG1 4.5Å; F170-I172 PolarHBondContact O-N 2.87Å; I172-S174 PolarHBondContact O-N 2.84Å; I172-S174 VanDerWaalsContact O-N 3.12Å
173	G	31.4	Very low	41.4	Very low	80 Å²	80	147.2 Å²	147.2	83%	0.825	75%	0.75	S	S	*	*			trans	-62.8	110.7	172.5	0	0	0	0	0	109.7
174	S	32	Very low	39.9	Very low	103 Å²	103	150.7 Å²	150.7	72%	0.72	76%	0.761	S	S	*	*			trans	177.6	132.2	149	45.5	0	0	0	0	109.7	I172	I172-S174 PolarHBondContact O-N 2.84Å; I172-S174 VanDerWaalsContact O-N 3.12Å
175	S	32.4	Very low	38.2	Very low	111 Å²	111	155.7 Å²	155.7	78%	0.776	79%	0.787	S	S	*	*			trans	89.7	81	167.9	-143.6	0	0	0	0	117.8
176	R	29.6	Very low	36.8	Very low	225 Å²	225	154.1 Å²	154.1	85%	0.849	79%	0.793	S	S	*	*				46.5	91.1	124.8	-75.2	177	153	167.1	-6.1	116.7
177	Y	30.8	Very low	35.8	Very low	226 Å²	226	159.3 Å²	159.3	89%	0.886	80%	0.797	S	S	*	*				-154.2	82.6	128.1	-99.5	-79.2	0	0	0	107.9	M179	Y177-M179 PolarHBondContact O-N 3.41Å
178	L	34.7	Very low	35.4	Very low	173 Å²	173	162.9 Å²	162.9	91%	0.906	82%	0.817	S	S	*	*			trans	-73.1	98.9	163.1	-76.5	166.9	0	0	0	107.5
179	M	36.3	Very low	34.7	Very low	167 Å²	167	156.9 Å²	156.9	82%	0.823	81%	0.809	S	S	*	*			trans	-135.8	81	153.4	-71	-161.2	-174	0	0	108.7	Y177	Y177-M179 PolarHBondContact O-N 3.41Å
180	N	28.7	Very low	34.5	Very low	166 Å²	166	165.8 Å²	165.8	89%	0.888	84%	0.844	S	S	*	*			trans	-125.1	114.2	154.6	-96.8	-12.4	0	0	0	108.2
181	R	34.3	Very low	33.8	Very low	245 Å²	245	168.8 Å²	168.8	93%	0.925	87%	0.867	S	S	*	*			trans	-170.9	118.4	154.7	-109	-177.8	172.6	-175.6	-2.1	103.9
182	M	42.1	Very low	33.8	Very low	262 Å²	262	170.5 Å²	170.5	100%	1.291	86%	0.863	S	S	*	*			cis	-131.5	0	25.4	-66.1	170.4	178.2	0	0	111.4

Retrieved 182 of 182 residues in 347.9 ms (Link to these results)

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