A0A077Z0T6_TRITR Loading...

Zinc finger protein

AlphaFold DB , UniProt , Accession A0A077Z0T6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 180 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	48.7	Very low	50.3	Low	244 Å²	244	136.7 Å²	136.7	100%	1.202	82%	0.823	S	S	*	*				0	85.1	0	-59.3	-179.5	177.5	0	0	106.5
2	A	46.1	Very low	50.4	Low	96 Å²	96	135.2 Å²	135.2	79%	0.793	82%	0.823	S	S	*	*				54.8	94.7	105.2	0	0	0	0	0	112.5
3	N	44.3	Very low	50.9	Low	153 Å²	153	134.5 Å²	134.5	82%	0.818	82%	0.818	S	S	*	*				62.3	100.8	105.2	-101.1	6.1	0	0	0	113.2
4	S	44.4	Very low	51.2	Low	95 Å²	95	136 Å²	136	66%	0.664	82%	0.82	S	S	*	*				74.6	110.4	88	72	0	0	0	0	112.9
5	S	46.8	Very low	51	Low	102 Å²	102	139.4 Å²	139.4	71%	0.713	82%	0.819	S	S	*	*			trans	-167.4	92.7	143	57	0	0	0	0	109.6
6	S	52.3	Low	51.1	Low	122 Å²	122	137.8 Å²	137.8	85%	0.853	81%	0.814	S	S	*	*			trans	-67.3	127.1	161.3	-48.2	0	0	0	0	108.7
7	F	52.7	Low	51.2	Low	188 Å²	188	144.3 Å²	144.3	83%	0.825	82%	0.821	S	S	*	*			trans	-91.4	120.6	165.3	-79.2	-86.5	0	0	0	109.1
8	P	56.1	Low	51.3	Low	120 Å²	120	147.3 Å²	147.3	78%	0.779	82%	0.823	S	S	*	*			trans	-87.6	115	168.3	30.1	-23.7	0	0	0	109.4	A10	P8-A10 PolarHBondContact O-N 3.4Å
9	T	53	Low	51.1	Low	134 Å²	134	144.8 Å²	144.8	82%	0.822	82%	0.816	S	S	*	*			trans	-74.5	115.7	170.1	-30.1	0	0	0	0	108.7	I11	T9-I11 PolarHBondContact O-N 2.92Å
10	A	54.9	Low	50.9	Low	95 Å²	95	143.6 Å²	143.6	79%	0.785	81%	0.814	S	S	*	*			trans	-56.8	118.5	-179.8	0	0	0	0	0	111.5	P8 S12	P8-A10 PolarHBondContact O-N 3.4Å; A10-S12 PolarHBondContact O-N 2.58Å
11	I	54.3	Low	51.1	Low	155 Å²	155	147 Å²	147	80%	0.795	81%	0.814	S	S	*	*			trans	-72.9	105.4	165.7	-61.9	173.9	0	0	0	106.5	T9 V13	T9-I11 PolarHBondContact O-N 2.92Å; I11-V13 PolarHBondContact O-N 2.96Å
12	S	51.7	Low	51.7	Low	118 Å²	118	141.6 Å²	141.6	83%	0.825	80%	0.8	S	S	*	*			trans	-70	96.6	173.6	-155	0	0	0	0	108.7	A10 N14	A10-S12 PolarHBondContact O-N 2.58Å; S12-N14 PolarHBondContact O-N 3.17Å; S12-N14 VanDerWaalsContact O-N 3.1Å
13	V	56.4	Low	52.8	Low	126 Å²	126	145.1 Å²	145.1	76%	0.764	79%	0.793	S	S	*	*			trans	-66.6	108.4	176.9	-171	0	0	0	0	107.8	I11 K15	I11-V13 PolarHBondContact O-N 2.96Å; V13-K15 PolarHBondContact O-N 3.1Å
14	N	55.9	Low	54.6	Low	156 Å²	156	145.7 Å²	145.7	83%	0.834	79%	0.788	S	S	*	*			trans	-63.5	100.1	174.8	-118.1	-45.5	0	0	0	108.8	S12	S12-N14 PolarHBondContact O-N 3.17Å; S12-N14 VanDerWaalsContact O-N 3.1Å
15	K	47.3	Very low	56.8	Low	187 Å²	187	145.1 Å²	145.1	81%	0.813	78%	0.775	S	S	*	*			trans	-57.8	125	174.8	-132.5	171.4	-171.4	173.4	0	107.7	V13 R17	V13-K15 PolarHBondContact O-N 3.1Å; K15-R17 PolarHBondContact O-N 3.33Å; K15-R17 VanDerWaalsContact O-N 3.16Å
16	P	52.9	Low	59.1	Low	113 Å²	113	142.9 Å²	142.9	73%	0.734	75%	0.752	S	S	*	*			trans	-57.9	128.1	177	22.7	-30.7	0	0	0	107.9	K18	P16-K18 PolarHBondContact O-N 3.19Å
17	R	52.5	Low	61.2	Low	249 Å²	249	140.9 Å²	140.9	94%	0.94	73%	0.731	S	S	*	*			trans	-60.7	89.8	171.2	-70.6	-175.8	-177.4	-135.7	2.2	107.9	K15 C19	K15-R17 PolarHBondContact O-N 3.33Å; K15-R17 VanDerWaalsContact O-N 3.16Å; R17-C19 PolarHBondContact O-N 3.43Å; R17-C19 VanDerWaalsContact O-N 3.11Å
18	K	52.4	Low	63.3	Low	198 Å²	198	132 Å²	132	86%	0.861	69%	0.692	S	S	*	*			trans	-61.3	110.6	161.5	-95.2	-177	175.2	179.6	0	106	P16 P20	P16-K18 PolarHBondContact O-N 3.19Å; K18-P20 WeakPolarHBondContact O-CD 3.46Å
19	C	47.9	Very low	65.2	Low	100 Å²	100	134.7 Å²	134.7	68%	0.676	69%	0.687	S	S	*	*			trans	-103.2	96.3	167	-158.9	0	0	0	0	106.8	R17 R21	R17-C19 PolarHBondContact O-N 3.43Å; R17-C19 VanDerWaalsContact O-N 3.11Å; C19-R21 VanDerWaalsContact C-N 3.34Å; C19-R21 PolarHBondContact O-N 3.36Å; C19-R21 VanDerWaalsContact O-N 3.11Å
20	P	47.2	Very low	67.2	Low	120 Å²	120	133.6 Å²	133.6	78%	0.779	67%	0.671	S	S	*	*			trans	-86.4	80.1	-179	34.5	-30.3	0	0	0	108.9	K18	K18-P20 WeakPolarHBondContact O-CD 3.46Å
21	R	55.8	Low	69.2	Low	216 Å²	216	132 Å²	132	82%	0.815	65%	0.653	S	S	*	*	S	Bend	trans	-142.8	120.8	152.3	-71.7	-169.9	179.9	169.4	-0.3	105.8	C19 R23	C19-R21 VanDerWaalsContact C-N 3.34Å; C19-R21 PolarHBondContact O-N 3.36Å; C19-R21 VanDerWaalsContact O-N 3.11Å; R21-R23 PolarHBondContact O-N 2.93Å
22	S	61.2	Low	71.1	Confident	130 Å²	130	130.7 Å²	130.7	91%	0.909	64%	0.644	S	S	*	*			trans	-52.7	91	164.5	28.6	0	0	0	0	107.4	K24	S22-K24 PolarHBondContact O-N 3.4Å; S22-K24 VanDerWaalsContact O-N 3.11Å
23	R	69.1	Low	73.3	Confident	171 Å²	171	132.6 Å²	132.6	65%	0.645	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-64.1	119	177.2	-86.2	-174.2	174	-177.3	-1.4	105.6	R21 E25	R21-R23 PolarHBondContact O-N 2.93Å; R23-E25 WeakPolarHBondContact O-CG 3.46Å; R23-E25 PolarHBondContact O-N 3.16Å; R23-E25 VanDerWaalsContact O-N 3.08Å
24	K	81.5	Confident	75.2	Confident	164 Å²	164	134.5 Å²	134.5	71%	0.713	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-53.8	118.6	166.6	-176.5	173.3	-177.8	172.7	0	107.4	S22 F26	S22-K24 PolarHBondContact O-N 3.4Å; S22-K24 VanDerWaalsContact O-N 3.11Å; K24-F26 HydrophobicContact CD-CZ 4.33Å; K24-F26 HydrophobicContact CG-CZ 4.35Å
25	E	90.6	Very high	77.1	Confident	83 Å²	83	128.6 Å²	128.6	39%	0.388	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-96.3	147.9	177.3	-66.7	179.4	155.4	0	0	110	R23 R34	R23-E25 WeakPolarHBondContact O-CG 3.46Å; R23-E25 PolarHBondContact O-N 3.16Å; R23-E25 VanDerWaalsContact O-N 3.08Å; E25-R34 IonicContact OE1-CZ 3.89Å; E25-R34 IonicContact OE1-NE 3.63Å; E25-R34 IonicContact OE1-NH2 3.63Å; E25-R34 IonicContact OE2-CZ 2.99Å; E25-R34 IonicContact OE2-NE 2.67Å; E25-R34 PolarHBondContact OE2-NE 3.11Å; E25-R34 IonicContact OE2-NH2 2.58Å; E25-R34 PolarHBondContact OE2-NH2 3.11Å
26	F	94.9	Very high	79.4	Confident	55 Å²	55	123.3 Å²	123.3	24%	0.241	58%	0.577	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.1	121.9	179.4	-61	-86.8	0	0	0	107.5	K24 R34 F35 K37 S38 L41	K24-F26 HydrophobicContact CD-CZ 4.33Å; K24-F26 HydrophobicContact CG-CZ 4.35Å; F26-R34 CarbonylContact O-C 3.18Å; F26-F35 HydrophobicContact CB-CB 4.35Å; F26-F35 PolarHBondContact N-O 2.72Å; F26-F35 PolarHBondContact O-N 2.74Å; F26-K37 VanDerWaalsContact CD2-C 3.46Å; F26-S38 VanDerWaalsContact CD2-N 3.29Å; F26-S38 VanDerWaalsContact CE2-N 3.34Å; F26-L41 HydrophobicContact CB-CB 3.82Å; F26-L41 HydrophobicContact CB-CD2 3.64Å; F26-L41 HydrophobicContact CB-CG 4.32Å
27	I	95.9	Very high	81.3	Confident	81 Å²	81	124.3 Å²	124.3	42%	0.415	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.9	133	-171.9	-56.9	176.3	0	0	0	109.1	R29 Q32 R34	I27-R29 PolarHBondContact O-N 2.95Å; I27-Q32 HydrophobicContact CG2-CB 4.46Å; I27-Q32 VanDerWaalsContact CG2-OE1 3.25Å; I27-R34 HydrophobicContact CG1-CG 4.29Å
28	C	97	Very high	83.4	Confident	0 Å²	0	115.8 Å²	115.8	0%	0	55%	0.548	C	S	.	.			trans	-70.7	124.2	175.2	-179.7	0	0	0	0	111.7	F30 C31 Q32 R33 F35 L41 H44	C28-F30 PolarHBondContact O-N 3.22Å; C28-F30 PolarHBondContact SG-N 2.99Å; C28-C31 VanDerWaalsContact SG-SG 3.67Å; C28-Q32 WeakPolarHBondContact O-CA 3.45Å; C28-Q32 PolarHBondContact O-N 3.32Å; C28-R33 HydrophobicContact CB-CB 4.46Å; C28-R33 PolarHBondContact N-O 3.39Å; C28-F35 HydrophobicContact CB-CE2 4.32Å; C28-L41 VanDerWaalsContact CA-CD1 3.46Å; C28-L41 HydrophobicContact CB-CD1 3.77Å; C28-H44 PolarHBondContact SG-CD2 3.3Å; C28-H44 PolarHBondContact SG-NE2 3.29Å
29	R	95.8	Very high	85.4	Confident	177 Å²	177	111.9 Å²	111.9	67%	0.668	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-24	178.9	73.8	-173.7	83.2	-168.9	8.6	114.1	I27 E45	I27-R29 PolarHBondContact O-N 2.95Å; R29-E45 IonicContact CZ-OE1 3.47Å; R29-E45 IonicContact NE-OE1 2.69Å; R29-E45 PolarHBondContact NE-OE1 3.34Å; R29-E45 IonicContact NH2-OE1 3.22Å; R29-E45 PolarHBondContact NH2-OE1 3.26Å; R29-E45 IonicContact NH2-OE2 3.52Å; R29-E45 PolarHBondContact NH2-OE2 3.35Å
30	F	96.1	Very high	87.7	Confident	112 Å²	112	110.1 Å²	110.1	49%	0.491	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-30.7	-176	-58.4	-77	0	0	0	114	C28 H48 T49	C28-F30 PolarHBondContact O-N 3.22Å; C28-F30 PolarHBondContact SG-N 2.99Å; F30-H48 HydrophobicContact CB-CB 4.25Å; F30-H48 HydrophobicContact CD1-CB 4.39Å; F30-H48 HydrophobicContact CD2-CB 3.71Å; F30-H48 AromaticContact CD2-CD2 3.62Å; F30-H48 AromaticContact CD2-CG 3.75Å; F30-H48 HydrophobicContact CE2-CB 4.11Å; F30-H48 HydrophobicContact CG-CB 3.86Å; F30-H48 AromaticContact CG-CD2 3.91Å; F30-H48 AromaticContact CG-CG 3.76Å; F30-T49 HydrophobicContact CE2-CG2 4.48Å; F30-T49 HydrophobicContact CZ-CG2 4.37Å
31	C	96.4	Very high	90.1	Very high	61 Å²	61	105.4 Å²	105.4	41%	0.412	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.7	7.6	-175.2	72.6	0	0	0	0	115	C28 R33 H44	C28-C31 VanDerWaalsContact SG-SG 3.67Å; C31-R33 PolarHBondContact O-N 3.11Å; C31-H44 PolarHBondContact SG-NE2 2.96Å
32	Q	95.5	Very high	92	Very high	127 Å²	127	99 Å²	99	59%	0.593	46%	0.463	S	S	*	.			trans	59.2	14.7	176.9	-56.4	-59.9	-37.1	0	0	115.1	I27 C28	I27-Q32 HydrophobicContact CG2-CB 4.46Å; I27-Q32 VanDerWaalsContact CG2-OE1 3.25Å; C28-Q32 WeakPolarHBondContact O-CA 3.45Å; C28-Q32 PolarHBondContact O-N 3.32Å
33	R	96.1	Very high	93.7	Very high	159 Å²	159	94 Å²	94	60%	0.6	43%	0.425	S	S	*	.			trans	-67.8	133.5	174.9	-171.7	171.4	-179.2	164.7	2.8	110.8	C28 C31 F35	C28-R33 HydrophobicContact CB-CB 4.46Å; C28-R33 PolarHBondContact N-O 3.39Å; C31-R33 PolarHBondContact O-N 3.11Å; R33-F35 HydrophobicContact CB-CE2 3.94Å; R33-F35 HydrophobicContact CB-CZ 4.33Å; R33-F35 HydrophobicContact CG-CE2 3.87Å; R33-F35 HydrophobicContact CG-CZ 3.9Å; R33-F35 WeakPolarHBondContact O-CD2 3.33Å; R33-F35 WeakPolarHBondContact O-CE2 2.99Å
34	R	96.9	Very high	95	Very high	165 Å²	165	87.1 Å²	87.1	62%	0.623	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	139.7	-177.7	-58.5	167.2	89.1	154.4	2.7	111.5	E25 F26 I27	E25-R34 IonicContact OE1-CZ 3.89Å; E25-R34 IonicContact OE1-NE 3.63Å; E25-R34 IonicContact OE1-NH2 3.63Å; E25-R34 IonicContact OE2-CZ 2.99Å; E25-R34 IonicContact OE2-NE 2.67Å; E25-R34 PolarHBondContact OE2-NE 3.11Å; E25-R34 IonicContact OE2-NH2 2.58Å; E25-R34 PolarHBondContact OE2-NH2 3.11Å; F26-R34 CarbonylContact O-C 3.18Å; I27-R34 HydrophobicContact CG1-CG 4.29Å
35	F	95.9	Very high	95.8	Very high	32 Å²	32	80.5 Å²	80.5	14%	0.14	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.7	178.2	-62.9	-92.1	0	0	0	110.5	F26 C28 R33 N40 L41 H44	F26-F35 HydrophobicContact CB-CB 4.35Å; F26-F35 PolarHBondContact N-O 2.72Å; F26-F35 PolarHBondContact O-N 2.74Å; C28-F35 HydrophobicContact CB-CE2 4.32Å; R33-F35 HydrophobicContact CB-CE2 3.94Å; R33-F35 HydrophobicContact CB-CZ 4.33Å; R33-F35 HydrophobicContact CG-CE2 3.87Å; R33-F35 HydrophobicContact CG-CZ 3.9Å; R33-F35 WeakPolarHBondContact O-CD2 3.33Å; R33-F35 WeakPolarHBondContact O-CE2 2.99Å; F35-N40 HydrophobicContact CB-CB 4.41Å; F35-N40 HydrophobicContact CD1-CB 3.8Å; F35-N40 HydrophobicContact CG-CB 4.44Å; F35-L41 HydrophobicContact CB-CB 4.19Å; F35-L41 HydrophobicContact CD2-CB 3.99Å; F35-L41 HydrophobicContact CD2-CD1 3.83Å; F35-L41 HydrophobicContact CE2-CD1 4.03Å; F35-L41 HydrophobicContact CG-CB 4.15Å; F35-H44 HydrophobicContact CE1-CB 3.82Å; F35-H44 HydrophobicContact CE2-CB 3.93Å; F35-H44 AromaticContact CE2-CD2 3.44Å; F35-H44 VanDerWaalsContact CE2-CD2 3.44Å; F35-H44 WeakPolarHBondContact CE2-CD2 3.45Å; F35-H44 AromaticContact CE2-CG 3.68Å; F35-H44 HydrophobicContact CZ-CB 3.34Å; F35-H44 AromaticContact CZ-CD2 3.46Å; F35-H44 VanDerWaalsContact CZ-CD2 3.46Å; F35-H44 WeakPolarHBondContact CZ-CD2 3.4Å; F35-H44 AromaticContact CZ-CG 3.2Å; F35-H44 AromaticContact CZ-ND1 3.8Å
36	T	94.8	Very high	96.1	Very high	77 Å²	77	78 Å²	78	47%	0.472	36%	0.359	S	S	.	.	S	Bend	trans	-86.3	-7.7	178.4	53.2	0	0	0	0	113.8
37	K	94.1	Very high	96.2	Very high	134 Å²	134	78.5 Å²	78.5	58%	0.583	37%	0.367	S	S	*	.	S	Bend	trans	-139	136.1	-179.4	-62.1	-174.9	177.8	-174.3	0	109.8	F26 Y39 N40 L41	F26-K37 VanDerWaalsContact CD2-C 3.46Å; K37-Y39 PolarHBondContact O-N 3.08Å; K37-N40 HydrophobicContact CB-CB 4.39Å; K37-N40 WeakPolarHBondContact O-CB 3.37Å; K37-N40 PolarHBondContact O-N 3.16Å; K37-N40 VanDerWaalsContact O-N 3.14Å; K37-L41 PolarHBondContact O-N 2.67Å
38	S	95.5	Very high	96.3	Very high	70 Å²	70	78.3 Å²	78.3	49%	0.49	36%	0.364	S	S	.	.	H	α-helix	trans	-57.8	-44.5	178.6	53.8	0	0	0	0	112.7	F26 N40 L41 L42	F26-S38 VanDerWaalsContact CD2-N 3.29Å; F26-S38 VanDerWaalsContact CE2-N 3.34Å; S38-N40 VanDerWaalsContact C-N 3.26Å; S38-N40 PolarHBondContact O-N 2.82Å; S38-L41 WeakPolarHBondContact O-CA 3.32Å; S38-L41 WeakPolarHBondContact O-CB 3.48Å; S38-L41 PolarHBondContact O-N 2.98Å; S38-L42 PolarHBondContact O-N 3.12Å
39	Y	95.1	Very high	96.2	Very high	115 Å²	115	82 Å²	82	45%	0.451	39%	0.386	S	S	.	.	H	α-helix	trans	-56.7	-37.8	176.4	163	-96.2	0	0	0	113.1	K37 L42 I43	K37-Y39 PolarHBondContact O-N 3.08Å; Y39-L42 PolarHBondContact O-N 3.49Å; Y39-I43 HydrophobicContact CD1-CD1 4.07Å; Y39-I43 HydrophobicContact CD2-CD1 3.96Å; Y39-I43 HydrophobicContact CE1-CD1 3.43Å; Y39-I43 VanDerWaalsContact CE1-CD1 3.43Å; Y39-I43 HydrophobicContact CE2-CD1 3.3Å; Y39-I43 HydrophobicContact CE2-CG1 4.18Å; Y39-I43 HydrophobicContact CG-CD1 4.32Å; Y39-I43 PolarHBondContact O-N 3Å; Y39-I43 VanDerWaalsContact O-N 3.07Å; Y39-I43 WeakPolarHBondContact OH-CD1 3.2Å
40	N	96.1	Very high	96.2	Very high	64 Å²	64	78.4 Å²	78.4	34%	0.342	38%	0.381	S	S	.	.	H	α-helix	trans	-69.7	-37.2	177.1	-69.7	-14.4	0	0	0	111.4	F35 K37 S38 H44	F35-N40 HydrophobicContact CB-CB 4.41Å; F35-N40 HydrophobicContact CD1-CB 3.8Å; F35-N40 HydrophobicContact CG-CB 4.44Å; K37-N40 HydrophobicContact CB-CB 4.39Å; K37-N40 WeakPolarHBondContact O-CB 3.37Å; K37-N40 PolarHBondContact O-N 3.16Å; K37-N40 VanDerWaalsContact O-N 3.14Å; S38-N40 VanDerWaalsContact C-N 3.26Å; S38-N40 PolarHBondContact O-N 2.82Å; N40-H44 WeakPolarHBondContact O-CB 3.28Å; N40-H44 PolarHBondContact O-N 3.39Å
41	L	97.1	Very high	96.3	Very high	20 Å²	20	77.2 Å²	77.2	11%	0.105	38%	0.376	C	S	.	.	H	α-helix	trans	-62.3	-49.7	171.5	169.9	63.2	0	0	0	110.5	F26 C28 F35 K37 S38 I43 H44 E45	F26-L41 HydrophobicContact CB-CB 3.82Å; F26-L41 HydrophobicContact CB-CD2 3.64Å; F26-L41 HydrophobicContact CB-CG 4.32Å; C28-L41 VanDerWaalsContact CA-CD1 3.46Å; C28-L41 HydrophobicContact CB-CD1 3.77Å; F35-L41 HydrophobicContact CB-CB 4.19Å; F35-L41 HydrophobicContact CD2-CB 3.99Å; F35-L41 HydrophobicContact CD2-CD1 3.83Å; F35-L41 HydrophobicContact CE2-CD1 4.03Å; F35-L41 HydrophobicContact CG-CB 4.15Å; K37-L41 PolarHBondContact O-N 2.67Å; S38-L41 WeakPolarHBondContact O-CA 3.32Å; S38-L41 WeakPolarHBondContact O-CB 3.48Å; S38-L41 PolarHBondContact O-N 2.98Å; L41-I43 PolarHBondContact O-N 3.26Å; L41-H44 CarbonylContact O-C 3.58Å; L41-H44 WeakPolarHBondContact O-CA 3.32Å; L41-H44 WeakPolarHBondContact O-CB 3.36Å; L41-H44 PolarHBondContact O-N 2.92Å; L41-E45 HydrophobicContact CD1-CG 3.81Å; L41-E45 HydrophobicContact CG-CG 4.23Å; L41-E45 PolarHBondContact O-N 3.16Å
42	L	96.7	Very high	96.3	Very high	83 Å²	83	79.7 Å²	79.7	44%	0.435	38%	0.377	S	S	.	.	H	α-helix	trans	-54.8	-49.1	-179.4	177.7	65	0	0	0	111.9	S38 Y39 H44 E45 R46	S38-L42 PolarHBondContact O-N 3.12Å; Y39-L42 PolarHBondContact O-N 3.49Å; L42-H44 VanDerWaalsContact C-N 3.26Å; L42-H44 PolarHBondContact O-N 2.78Å; L42-E45 PolarHBondContact O-N 3.45Å; L42-R46 PolarHBondContact O-N 3.24Å
43	I	96.8	Very high	96.4	Very high	24 Å²	24	76.5 Å²	76.5	12%	0.123	37%	0.368	C	S	.	.	H	α-helix	trans	-62.5	-36.4	176.3	-73.8	169.3	0	0	0	111.9	Y39 L41 R46 R65	Y39-I43 HydrophobicContact CD1-CD1 4.07Å; Y39-I43 HydrophobicContact CD2-CD1 3.96Å; Y39-I43 HydrophobicContact CE1-CD1 3.43Å; Y39-I43 VanDerWaalsContact CE1-CD1 3.43Å; Y39-I43 HydrophobicContact CE2-CD1 3.3Å; Y39-I43 HydrophobicContact CE2-CG1 4.18Å; Y39-I43 HydrophobicContact CG-CD1 4.32Å; Y39-I43 PolarHBondContact O-N 3Å; Y39-I43 VanDerWaalsContact O-N 3.07Å; Y39-I43 WeakPolarHBondContact OH-CD1 3.2Å; L41-I43 PolarHBondContact O-N 3.26Å; I43-R46 WeakPolarHBondContact O-CB 3.38Å; I43-R46 PolarHBondContact O-N 2.98Å; I43-R65 HydrophobicContact CD1-CG 3.85Å; I43-R65 HydrophobicContact CG1-CG 4.16Å; I43-R65 HydrophobicContact CG2-CG 3.75Å
44	H	97	Very high	96.5	Very high	26 Å²	26	72.5 Å²	72.5	12%	0.12	35%	0.353	C	S	.	.	H	α-helix	trans	-68.1	-41	175.9	170.5	68.6	0	0	0	111.9	C28 C31 F35 N40 L41 L42 R46 T47 H48	C28-H44 PolarHBondContact SG-CD2 3.3Å; C28-H44 PolarHBondContact SG-NE2 3.29Å; C31-H44 PolarHBondContact SG-NE2 2.96Å; F35-H44 HydrophobicContact CE1-CB 3.82Å; F35-H44 HydrophobicContact CE2-CB 3.93Å; F35-H44 AromaticContact CE2-CD2 3.44Å; F35-H44 VanDerWaalsContact CE2-CD2 3.44Å; F35-H44 WeakPolarHBondContact CE2-CD2 3.45Å; F35-H44 AromaticContact CE2-CG 3.68Å; F35-H44 HydrophobicContact CZ-CB 3.34Å; F35-H44 AromaticContact CZ-CD2 3.46Å; F35-H44 VanDerWaalsContact CZ-CD2 3.46Å; F35-H44 WeakPolarHBondContact CZ-CD2 3.4Å; F35-H44 AromaticContact CZ-CG 3.2Å; F35-H44 AromaticContact CZ-ND1 3.8Å; N40-H44 WeakPolarHBondContact O-CB 3.28Å; N40-H44 PolarHBondContact O-N 3.39Å; L41-H44 CarbonylContact O-C 3.58Å; L41-H44 WeakPolarHBondContact O-CA 3.32Å; L41-H44 WeakPolarHBondContact O-CB 3.36Å; L41-H44 PolarHBondContact O-N 2.92Å; L42-H44 VanDerWaalsContact C-N 3.26Å; L42-H44 PolarHBondContact O-N 2.78Å; H44-R46 PolarHBondContact O-N 2.79Å; H44-T47 WeakPolarHBondContact O-CA 3.42Å; H44-T47 VanDerWaalsContact O-CB 3.25Å; H44-T47 WeakPolarHBondContact O-CB 3.45Å; H44-T47 WeakPolarHBondContact O-CG2 3.49Å; H44-T47 PolarHBondContact O-N 3.29Å; H44-T47 PolarHBondContact O-OG1 2.89Å; H44-H48 AromaticContact CE1-NE2 3.55Å; H44-H48 AromaticContact NE2-CD2 3.86Å; H44-H48 AromaticContact NE2-NE2 3.23Å; H44-H48 PolarHBondContact NE2-NE2 2.78Å
45	E	97.5	Very high	96.6	Very high	26 Å²	26	67.7 Å²	67.7	12%	0.121	35%	0.345	C	S	.	.	H	α-helix	trans	-59.6	-35.1	176.5	-71.2	-168.9	137.9	0	0	111.5	R29 L41 L42 T47 H48 T49	R29-E45 IonicContact CZ-OE1 3.47Å; R29-E45 IonicContact NE-OE1 2.69Å; R29-E45 PolarHBondContact NE-OE1 3.34Å; R29-E45 IonicContact NH2-OE1 3.22Å; R29-E45 PolarHBondContact NH2-OE1 3.26Å; R29-E45 IonicContact NH2-OE2 3.52Å; R29-E45 PolarHBondContact NH2-OE2 3.35Å; L41-E45 HydrophobicContact CD1-CG 3.81Å; L41-E45 HydrophobicContact CG-CG 4.23Å; L41-E45 PolarHBondContact O-N 3.16Å; L42-E45 PolarHBondContact O-N 3.45Å; E45-T47 PolarHBondContact O-N 3.27Å; E45-H48 WeakPolarHBondContact O-CB 3.44Å; E45-H48 PolarHBondContact O-N 3.26Å; E45-T49 PolarHBondContact O-N 3.49Å
46	R	97.5	Very high	96.7	Very high	30 Å²	30	66.2 Å²	66.2	11%	0.113	34%	0.338	C	S	.	.	H	α-helix	trans	-58.2	-19.2	170.3	-65.5	-176.8	169.8	151.9	5.1	114.2	L42 I43 H44 H48 T49 D50 E51 R64	L42-R46 PolarHBondContact O-N 3.24Å; I43-R46 WeakPolarHBondContact O-CB 3.38Å; I43-R46 PolarHBondContact O-N 2.98Å; H44-R46 PolarHBondContact O-N 2.79Å; R46-H48 VanDerWaalsContact C-N 3.31Å; R46-T49 WeakPolarHBondContact CA-OG1 3.39Å; R46-D50 PolarHBondContact O-N 3.37Å; R46-E51 HydrophobicContact CB-CB 4.46Å; R46-E51 HydrophobicContact CG-CB 4.17Å; R46-E51 IonicContact CZ-OE1 2.97Å; R46-E51 IonicContact NE-OE1 2.86Å; R46-E51 PolarHBondContact NE-OE1 3.19Å; R46-E51 IonicContact NE-OE2 2.85Å; R46-E51 IonicContact NH2-OE1 3.66Å; R46-E51 PolarHBondContact NH2-OE1 3.31Å; R46-R64 HydrophobicContact CB-CB 4.43Å; R46-R64 HydrophobicContact CB-CG 4.28Å; R46-R64 PolarHBondContact NH1-O 2.77Å; R46-R64 PolarHBondContact O-NE 3Å; R46-R64 PolarHBondContact O-NH2 3.39Å
47	T	96.9	Very high	96.7	Very high	66 Å²	66	70.4 Å²	70.4	41%	0.405	35%	0.352	S	S	.	.	H	α-helix	trans	-74.7	-21.9	174.1	71.1	0	0	0	0	113.1	H44 E45	H44-T47 WeakPolarHBondContact O-CA 3.42Å; H44-T47 VanDerWaalsContact O-CB 3.25Å; H44-T47 WeakPolarHBondContact O-CB 3.45Å; H44-T47 WeakPolarHBondContact O-CG2 3.49Å; H44-T47 PolarHBondContact O-N 3.29Å; H44-T47 PolarHBondContact O-OG1 2.89Å; E45-T47 PolarHBondContact O-N 3.27Å
48	H	97.1	Very high	96.8	Very high	76 Å²	76	69 Å²	69	35%	0.352	36%	0.356	S	S	.	.	H	α-helix	trans	-89.6	-37.8	174.6	-64.1	-72	0	0	0	112.1	F30 H44 E45 R46	F30-H48 HydrophobicContact CB-CB 4.25Å; F30-H48 HydrophobicContact CD1-CB 4.39Å; F30-H48 HydrophobicContact CD2-CB 3.71Å; F30-H48 AromaticContact CD2-CD2 3.62Å; F30-H48 AromaticContact CD2-CG 3.75Å; F30-H48 HydrophobicContact CE2-CB 4.11Å; F30-H48 HydrophobicContact CG-CB 3.86Å; F30-H48 AromaticContact CG-CD2 3.91Å; F30-H48 AromaticContact CG-CG 3.76Å; H44-H48 AromaticContact CE1-NE2 3.55Å; H44-H48 AromaticContact NE2-CD2 3.86Å; H44-H48 AromaticContact NE2-NE2 3.23Å; H44-H48 PolarHBondContact NE2-NE2 2.78Å; E45-H48 WeakPolarHBondContact O-CB 3.44Å; E45-H48 PolarHBondContact O-N 3.26Å; R46-H48 VanDerWaalsContact C-N 3.31Å
49	T	96.4	Very high	96.9	Very high	77 Å²	77	68.8 Å²	68.8	47%	0.472	35%	0.353	S	S	.	.	H	α-helix	trans	-86.6	-7.1	-177.5	63.6	0	0	0	0	114.3	F30 E45 R46 E51	F30-T49 HydrophobicContact CE2-CG2 4.48Å; F30-T49 HydrophobicContact CZ-CG2 4.37Å; E45-T49 PolarHBondContact O-N 3.49Å; R46-T49 WeakPolarHBondContact CA-OG1 3.39Å; T49-E51 PolarHBondContact O-N 3.45Å; T49-E51 WeakPolarHBondContact OG1-CB 3.47Å; T49-E51 PolarHBondContact OG1-N 3.48Å
50	D	95.4	Very high	97	Very high	103 Å²	103	66 Å²	66	55%	0.551	36%	0.359	S	S	*	.			trans	56.6	11.8	-170.3	-81.4	-53.5	0	0	0	116.1	R46 R52 R64	R46-D50 PolarHBondContact O-N 3.37Å; D50-R52 WeakPolarHBondContact O-CG 3.42Å; D50-R52 PolarHBondContact O-N 2.86Å; D50-R64 IonicContact OD1-CZ 3.66Å; D50-R64 IonicContact OD1-NH2 3.45Å; D50-R64 PolarHBondContact OD1-NH2 2.88Å
51	E	97.4	Very high	97	Very high	86 Å²	86	68.5 Å²	68.5	40%	0.402	37%	0.367	S	S	.	.			trans	-60.3	127.7	177.6	-173.5	-156.4	141.8	0	0	111.5	R46 T49 P53 R64	R46-E51 HydrophobicContact CB-CB 4.46Å; R46-E51 HydrophobicContact CG-CB 4.17Å; R46-E51 IonicContact CZ-OE1 2.97Å; R46-E51 IonicContact NE-OE1 2.86Å; R46-E51 PolarHBondContact NE-OE1 3.19Å; R46-E51 IonicContact NE-OE2 2.85Å; R46-E51 IonicContact NH2-OE1 3.66Å; R46-E51 PolarHBondContact NH2-OE1 3.31Å; T49-E51 PolarHBondContact O-N 3.45Å; T49-E51 WeakPolarHBondContact OG1-CB 3.47Å; T49-E51 PolarHBondContact OG1-N 3.48Å; E51-P53 HydrophobicContact CG-CG 3.93Å; E51-P53 WeakPolarHBondContact OE1-CG 3.21Å; E51-R64 WeakPolarHBondContact O-CG 3.46Å
52	R	97.5	Very high	97.1	Very high	114 Å²	114	68.9 Å²	68.9	43%	0.43	37%	0.373	S	S	.	.			trans	-134.5	80.2	-178.3	-69.2	160.3	-176.5	-113.1	9.6	110.6	D50 Y54 A62 F63 R64	D50-R52 WeakPolarHBondContact O-CG 3.42Å; D50-R52 PolarHBondContact O-N 2.86Å; R52-Y54 PolarHBondContact O-N 2.94Å; R52-Y54 VanDerWaalsContact O-N 3.17Å; R52-A62 HydrophobicContact CB-CB 3.56Å; R52-A62 WeakPolarHBondContact CD-O 3.44Å; R52-A62 HydrophobicContact CG-CB 4.46Å; R52-A62 PolarHBondContact NH1-O 3.45Å; R52-A62 VanDerWaalsContact NH1-O 3.09Å; R52-F63 CarbonylContact C-O 3.58Å; R52-F63 VanDerWaalsContact C-O 3.27Å; R52-F63 WeakPolarHBondContact CA-O 3.36Å; R52-R64 HydrophobicContact CG-CG 4.02Å
53	P	97.4	Very high	97.1	Very high	60 Å²	60	66.3 Å²	66.3	39%	0.39	36%	0.358	S	S	.	.			trans	-69.8	-15.9	-170.2	-25	38.5	0	0	0	115.1	E51	E51-P53 HydrophobicContact CG-CG 3.93Å; E51-P53 WeakPolarHBondContact OE1-CG 3.21Å
54	Y	98.2	Very high	97.2	Very high	74 Å²	74	67.7 Å²	67.7	29%	0.29	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	100.9	-171.2	-52	-72.4	0	0	0	109.5	R52 A62 F63 Q66	R52-Y54 PolarHBondContact O-N 2.94Å; R52-Y54 VanDerWaalsContact O-N 3.17Å; Y54-A62 CarbonylContact O-C 3.49Å; Y54-A62 WeakPolarHBondContact O-CA 3.28Å; Y54-F63 WeakPolarHBondContact CD2-O 3.46Å; Y54-F63 PolarHBondContact N-O 2.84Å; Y54-F63 WeakPolarHBondContact O-CD2 3.31Å; Y54-F63 PolarHBondContact O-N 3.44Å; Y54-Q66 HydrophobicContact CD1-CB 4.05Å; Y54-Q66 HydrophobicContact CD2-CB 4.47Å; Y54-Q66 HydrophobicContact CE1-CB 3.87Å; Y54-Q66 HydrophobicContact CE1-CG 4.49Å; Y54-Q66 HydrophobicContact CE2-CB 4.31Å; Y54-Q66 HydrophobicContact CG-CB 4.33Å
55	S	98	Very high	97.2	Very high	65 Å²	65	70 Å²	70	46%	0.455	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	146.3	179.6	53.1	0	0	0	0	112.2	L69	S55-L69 VanDerWaalsContact O-CD2 3.31Å; S55-L69 WeakPolarHBondContact O-CD2 3.32Å
56	C	97.5	Very high	97.2	Very high	1 Å²	1	73.2 Å²	73.2	1%	0.007	39%	0.385	C	S	.	.			trans	-81.5	119.4	169.6	-178.2	0	0	0	0	109.8	T58 C59 G60 K61 L69 H76	C56-T58 PolarHBondContact O-N 3.26Å; C56-C59 PolarHBondContact O-N 3.46Å; C56-G60 VanDerWaalsContact O-CA 3.24Å; C56-G60 WeakPolarHBondContact O-CA 3.35Å; C56-G60 PolarHBondContact O-N 3.23Å; C56-K61 PolarHBondContact N-O 2.88Å; C56-L69 HydrophobicContact CB-CD1 3.8Å; C56-H76 VanDerWaalsContact SG-CD2 3.51Å; C56-H76 PolarHBondContact SG-NE2 3.19Å
57	E	96.1	Very high	97	Very high	164 Å²	164	73.5 Å²	73.5	77%	0.766	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-30.4	176.9	-68.8	154.3	-132.9	0	0	112.6	R73	E57-R73 IonicContact OE1-CZ 3.79Å; E57-R73 IonicContact OE1-NH2 2.66Å; E57-R73 PolarHBondContact OE1-NH2 3.26Å
58	T	96	Very high	97	Very high	106 Å²	106	74.1 Å²	74.1	65%	0.65	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-33.8	-178.5	-44.9	0	0	0	0	113.9	C56 H76	C56-T58 PolarHBondContact O-N 3.26Å; T58-H76 HydrophobicContact CG2-CB 4.36Å
59	C	96.9	Very high	96.9	Very high	65 Å²	65	70.7 Å²	70.7	44%	0.439	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.9	5.5	-172.6	72.7	0	0	0	0	115.3	C56 K61 H72 H76	C56-C59 PolarHBondContact O-N 3.46Å; C59-K61 PolarHBondContact O-N 3.35Å; C59-K61 VanDerWaalsContact SG-CB 3.54Å; C59-H72 PolarHBondContact SG-NE2 3.12Å; C59-H76 PolarHBondContact SG-NE2 3.15Å; C59-H76 VanDerWaalsContact SG-NE2 3.37Å
60	G	97.1	Very high	96.8	Very high	55 Å²	55	73.1 Å²	73.1	57%	0.567	37%	0.371	S	S	*	.			trans	69.8	-7.3	-178.8	0	0	0	0	0	115.3	C56 A62	C56-G60 VanDerWaalsContact O-CA 3.24Å; C56-G60 WeakPolarHBondContact O-CA 3.35Å; C56-G60 PolarHBondContact O-N 3.23Å; G60-A62 PolarHBondContact O-N 3.33Å
61	K	97.5	Very high	96.7	Very high	117 Å²	117	69.5 Å²	69.5	51%	0.509	35%	0.352	S	S	.	.			trans	-62.4	126.3	-176.2	-170.3	171.1	-175.9	173.2	0	111.2	C56 C59 F63	C56-K61 PolarHBondContact N-O 2.88Å; C59-K61 PolarHBondContact O-N 3.35Å; C59-K61 VanDerWaalsContact SG-CB 3.54Å; K61-F63 HydrophobicContact CB-CE2 4.22Å; K61-F63 HydrophobicContact CB-CZ 4.39Å; K61-F63 HydrophobicContact CD-CZ 3.86Å; K61-F63 HydrophobicContact CG-CE2 4.03Å; K61-F63 HydrophobicContact CG-CZ 3.83Å; K61-F63 WeakPolarHBondContact O-CD2 3.36Å; K61-F63 VanDerWaalsContact O-CE2 3.23Å; K61-F63 WeakPolarHBondContact O-CE2 3.47Å
62	A	97.9	Very high	96.6	Very high	28 Å²	28	66.1 Å²	66.1	23%	0.231	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	142.5	-174.6	0	0	0	0	0	114	R52 Y54 G60	R52-A62 HydrophobicContact CB-CB 3.56Å; R52-A62 WeakPolarHBondContact CD-O 3.44Å; R52-A62 HydrophobicContact CG-CB 4.46Å; R52-A62 PolarHBondContact NH1-O 3.45Å; R52-A62 VanDerWaalsContact NH1-O 3.09Å; Y54-A62 CarbonylContact O-C 3.49Å; Y54-A62 WeakPolarHBondContact O-CA 3.28Å; G60-A62 PolarHBondContact O-N 3.33Å
63	F	97.9	Very high	96.4	Very high	29 Å²	29	65.6 Å²	65.6	13%	0.127	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	148.8	-174.5	-58.4	-90.6	0	0	0	111.7	R52 Y54 K61 R65 H68 L69 H72	R52-F63 CarbonylContact C-O 3.58Å; R52-F63 VanDerWaalsContact C-O 3.27Å; R52-F63 WeakPolarHBondContact CA-O 3.36Å; Y54-F63 WeakPolarHBondContact CD2-O 3.46Å; Y54-F63 PolarHBondContact N-O 2.84Å; Y54-F63 WeakPolarHBondContact O-CD2 3.31Å; Y54-F63 PolarHBondContact O-N 3.44Å; K61-F63 HydrophobicContact CB-CE2 4.22Å; K61-F63 HydrophobicContact CB-CZ 4.39Å; K61-F63 HydrophobicContact CD-CZ 3.86Å; K61-F63 HydrophobicContact CG-CE2 4.03Å; K61-F63 HydrophobicContact CG-CZ 3.83Å; K61-F63 WeakPolarHBondContact O-CD2 3.36Å; K61-F63 VanDerWaalsContact O-CE2 3.23Å; K61-F63 WeakPolarHBondContact O-CE2 3.47Å; F63-R65 VanDerWaalsContact C-N 3.3Å; F63-H68 HydrophobicContact CB-CB 4.25Å; F63-H68 HydrophobicContact CD1-CB 3.88Å; F63-H68 HydrophobicContact CG-CB 4.3Å; F63-L69 HydrophobicContact CB-CB 4.38Å; F63-L69 HydrophobicContact CD2-CB 3.88Å; F63-L69 HydrophobicContact CD2-CD1 3.81Å; F63-L69 HydrophobicContact CD2-CG 4.45Å; F63-L69 HydrophobicContact CE2-CD1 3.94Å; F63-L69 HydrophobicContact CG-CB 4.29Å; F63-H72 HydrophobicContact CE1-CB 3.92Å; F63-H72 HydrophobicContact CE2-CB 3.81Å; F63-H72 AromaticContact CE2-CD2 3.39Å; F63-H72 WeakPolarHBondContact CE2-CD2 3.43Å; F63-H72 AromaticContact CE2-CG 3.55Å; F63-H72 AromaticContact CE2-NE2 3.95Å; F63-H72 HydrophobicContact CZ-CB 3.37Å; F63-H72 AromaticContact CZ-CD2 3.49Å; F63-H72 VanDerWaalsContact CZ-CD2 3.49Å; F63-H72 WeakPolarHBondContact CZ-CD2 3.3Å; F63-H72 AromaticContact CZ-CE1 3.94Å; F63-H72 AromaticContact CZ-CG 3.15Å; F63-H72 AromaticContact CZ-ND1 3.49Å; F63-H72 WeakPolarHBondContact CZ-ND1 3.37Å; F63-H72 AromaticContact CZ-NE2 3.94Å
64	R	97.8	Very high	96.3	Very high	53 Å²	53	66.2 Å²	66.2	20%	0.2	33%	0.329	C	S	.	.	S	Bend	trans	-74.9	-19.8	176	-62.3	-175.4	164.3	90.5	-5.9	113.7	R46 D50 E51 R52	R46-R64 HydrophobicContact CB-CB 4.43Å; R46-R64 HydrophobicContact CB-CG 4.28Å; R46-R64 PolarHBondContact NH1-O 2.77Å; R46-R64 PolarHBondContact O-NE 3Å; R46-R64 PolarHBondContact O-NH2 3.39Å; D50-R64 IonicContact OD1-CZ 3.66Å; D50-R64 IonicContact OD1-NH2 3.45Å; D50-R64 PolarHBondContact OD1-NH2 2.88Å; E51-R64 WeakPolarHBondContact O-CG 3.46Å; R52-R64 HydrophobicContact CG-CG 4.02Å
65	R	97	Very high	95.9	Very high	76 Å²	76	67.5 Å²	67.5	29%	0.287	34%	0.34	S	S	.	.	S	Bend	trans	-135.9	142.1	-173	-54.5	172.8	56.5	-168.6	4	111.1	I43 F63 D67 H68 L69	I43-R65 HydrophobicContact CD1-CG 3.85Å; I43-R65 HydrophobicContact CG1-CG 4.16Å; I43-R65 HydrophobicContact CG2-CG 3.75Å; F63-R65 VanDerWaalsContact C-N 3.3Å; R65-D67 WeakPolarHBondContact CB-OD1 3.45Å; R65-D67 IonicContact CZ-OD1 3.54Å; R65-D67 IonicContact CZ-OD2 3.53Å; R65-D67 IonicContact NE-OD1 3.57Å; R65-D67 PolarHBondContact NE-OD1 3.31Å; R65-D67 IonicContact NE-OD2 2.77Å; R65-D67 IonicContact NH1-OD2 3.64Å; R65-D67 VanDerWaalsContact NH2-CG 3.33Å; R65-D67 IonicContact NH2-OD1 3.98Å; R65-D67 PolarHBondContact NH2-OD1 2.85Å; R65-D67 IonicContact NH2-OD2 2.82Å; R65-D67 PolarHBondContact NH2-OD2 3.11Å; R65-H68 HydrophobicContact CB-CB 4.45Å; R65-H68 PolarHBondContact NH1-NE2 2.85Å; R65-H68 PolarHBondContact O-N 3.28Å; R65-L69 PolarHBondContact O-N 3.03Å
66	Q	97	Very high	95.6	Very high	93 Å²	93	68 Å²	68	44%	0.435	34%	0.335	S	S	.	.	H	α-helix	trans	-66.8	-37.6	-178.4	-178.8	63	-4.3	0	0	113.1	Y54 H68 L69 R70	Y54-Q66 HydrophobicContact CD1-CB 4.05Å; Y54-Q66 HydrophobicContact CD2-CB 4.47Å; Y54-Q66 HydrophobicContact CE1-CB 3.87Å; Y54-Q66 HydrophobicContact CE1-CG 4.49Å; Y54-Q66 HydrophobicContact CE2-CB 4.31Å; Y54-Q66 HydrophobicContact CG-CB 4.33Å; Q66-H68 VanDerWaalsContact C-N 3.27Å; Q66-H68 PolarHBondContact O-N 3.16Å; Q66-L69 PolarHBondContact O-N 3.38Å; Q66-L69 VanDerWaalsContact O-N 3.17Å; Q66-R70 PolarHBondContact O-N 3.01Å
67	D	94.3	Very high	95.2	Very high	36 Å²	36	70.4 Å²	70.4	19%	0.193	35%	0.352	C	S	.	.	H	α-helix	trans	-63.1	-35.6	177.1	60	-47.1	0	0	0	111.9	R65 R70 D71	R65-D67 WeakPolarHBondContact CB-OD1 3.45Å; R65-D67 IonicContact CZ-OD1 3.54Å; R65-D67 IonicContact CZ-OD2 3.53Å; R65-D67 IonicContact NE-OD1 3.57Å; R65-D67 PolarHBondContact NE-OD1 3.31Å; R65-D67 IonicContact NE-OD2 2.77Å; R65-D67 IonicContact NH1-OD2 3.64Å; R65-D67 VanDerWaalsContact NH2-CG 3.33Å; R65-D67 IonicContact NH2-OD1 3.98Å; R65-D67 PolarHBondContact NH2-OD1 2.85Å; R65-D67 IonicContact NH2-OD2 2.82Å; R65-D67 PolarHBondContact NH2-OD2 3.11Å; D67-R70 PolarHBondContact O-N 3.35Å; D67-D71 WeakPolarHBondContact O-CB 3.36Å; D67-D71 PolarHBondContact O-N 3.48Å
68	H	95.8	Very high	94.5	Very high	78 Å²	78	72.9 Å²	72.9	36%	0.361	36%	0.36	S	S	.	.	H	α-helix	trans	-68.1	-37.1	174.6	-67.1	-166.3	0	0	0	112.4	F63 R65 Q66 H72	F63-H68 HydrophobicContact CB-CB 4.25Å; F63-H68 HydrophobicContact CD1-CB 3.88Å; F63-H68 HydrophobicContact CG-CB 4.3Å; R65-H68 HydrophobicContact CB-CB 4.45Å; R65-H68 PolarHBondContact NH1-NE2 2.85Å; R65-H68 PolarHBondContact O-N 3.28Å; Q66-H68 VanDerWaalsContact C-N 3.27Å; Q66-H68 PolarHBondContact O-N 3.16Å; H68-H72 WeakPolarHBondContact O-CB 3.27Å; H68-H72 PolarHBondContact O-N 2.97Å
69	L	96.4	Very high	94.1	Very high	5 Å²	5	72.5 Å²	72.5	3%	0.026	35%	0.354	C	S	.	.	H	α-helix	trans	-64.8	-46.1	173.3	171.2	61.6	0	0	0	110.9	S55 C56 F63 R65 Q66 D71 H72 R73	S55-L69 VanDerWaalsContact O-CD2 3.31Å; S55-L69 WeakPolarHBondContact O-CD2 3.32Å; C56-L69 HydrophobicContact CB-CD1 3.8Å; F63-L69 HydrophobicContact CB-CB 4.38Å; F63-L69 HydrophobicContact CD2-CB 3.88Å; F63-L69 HydrophobicContact CD2-CD1 3.81Å; F63-L69 HydrophobicContact CD2-CG 4.45Å; F63-L69 HydrophobicContact CE2-CD1 3.94Å; F63-L69 HydrophobicContact CG-CB 4.29Å; R65-L69 PolarHBondContact O-N 3.03Å; Q66-L69 PolarHBondContact O-N 3.38Å; Q66-L69 VanDerWaalsContact O-N 3.17Å; L69-D71 PolarHBondContact O-N 2.84Å; L69-H72 WeakPolarHBondContact O-CB 3.43Å; L69-H72 PolarHBondContact O-N 3.25Å; L69-R73 HydrophobicContact CD1-CG 4.4Å; L69-R73 WeakPolarHBondContact O-CG 3.48Å; L69-R73 PolarHBondContact O-N 3.48Å
70	R	94.4	Very high	93.8	Very high	127 Å²	127	73 Å²	73	48%	0.479	35%	0.349	S	S	.	.	H	α-helix	trans	-56.7	-50.7	176.7	-178.1	-169.4	62.1	-123.9	-9	111.2	Q66 D67 H72 R73	Q66-R70 PolarHBondContact O-N 3.01Å; D67-R70 PolarHBondContact O-N 3.35Å; R70-H72 VanDerWaalsContact C-N 3.26Å; R70-H72 PolarHBondContact O-N 3.32Å; R70-R73 PolarHBondContact O-N 3.4Å; R70-R73 VanDerWaalsContact O-N 3.17Å
71	D	93.4	Very high	93.7	Very high	27 Å²	27	73.2 Å²	73.2	14%	0.144	34%	0.34	C	S	.	.	H	α-helix	trans	-63.4	-35.1	178.9	-65.9	1.4	0	0	0	111.7	D67 L69 Y74 C92 Q93	D67-D71 WeakPolarHBondContact O-CB 3.36Å; D67-D71 PolarHBondContact O-N 3.48Å; L69-D71 PolarHBondContact O-N 2.84Å; D71-Y74 PolarHBondContact O-N 3.11Å; D71-C92 WeakPolarHBondContact O-CB 3.45Å; D71-Q93 HydrophobicContact CB-CG 4.29Å; D71-Q93 WeakPolarHBondContact OD2-CG 3.38Å; D71-Q93 PolarHBondContact OD2-NE2 3.4Å
72	H	94.5	Very high	93.6	Very high	16 Å²	16	71.1 Å²	71.1	7%	0.074	33%	0.331	C	S	.	.	H	α-helix	trans	-64.6	-37.4	175	167.6	75.5	0	0	0	112.7	C59 F63 H68 L69 R70 Y74 I75 H76	C59-H72 PolarHBondContact SG-NE2 3.12Å; F63-H72 HydrophobicContact CE1-CB 3.92Å; F63-H72 HydrophobicContact CE2-CB 3.81Å; F63-H72 AromaticContact CE2-CD2 3.39Å; F63-H72 WeakPolarHBondContact CE2-CD2 3.43Å; F63-H72 AromaticContact CE2-CG 3.55Å; F63-H72 AromaticContact CE2-NE2 3.95Å; F63-H72 HydrophobicContact CZ-CB 3.37Å; F63-H72 AromaticContact CZ-CD2 3.49Å; F63-H72 VanDerWaalsContact CZ-CD2 3.49Å; F63-H72 WeakPolarHBondContact CZ-CD2 3.3Å; F63-H72 AromaticContact CZ-CE1 3.94Å; F63-H72 AromaticContact CZ-CG 3.15Å; F63-H72 AromaticContact CZ-ND1 3.49Å; F63-H72 WeakPolarHBondContact CZ-ND1 3.37Å; F63-H72 AromaticContact CZ-NE2 3.94Å; H68-H72 WeakPolarHBondContact O-CB 3.27Å; H68-H72 PolarHBondContact O-N 2.97Å; L69-H72 WeakPolarHBondContact O-CB 3.43Å; L69-H72 PolarHBondContact O-N 3.25Å; R70-H72 VanDerWaalsContact C-N 3.26Å; R70-H72 PolarHBondContact O-N 3.32Å; H72-Y74 PolarHBondContact O-N 3.17Å; H72-Y74 VanDerWaalsContact O-N 3.09Å; H72-I75 WeakPolarHBondContact CE1-CD1 3.17Å; H72-I75 WeakPolarHBondContact ND1-CD1 3.41Å; H72-I75 VanDerWaalsContact O-CG1 3.24Å; H72-I75 WeakPolarHBondContact O-CG1 3.02Å; H72-I75 WeakPolarHBondContact O-CG2 3.46Å; H72-I75 PolarHBondContact O-N 3.47Å; H72-H76 AromaticContact CE1-NE2 3.81Å; H72-H76 AromaticContact NE2-NE2 3.34Å; H72-H76 PolarHBondContact NE2-NE2 3.41Å
73	R	94.2	Very high	93.5	Very high	103 Å²	103	76.1 Å²	76.1	39%	0.389	35%	0.348	S	S	.	.	H	α-helix	trans	-57.1	-28	-180	-73.6	175	174.1	-164.7	-8.2	112.7	E57 L69 R70 I75 H76 S77	E57-R73 IonicContact OE1-CZ 3.79Å; E57-R73 IonicContact OE1-NH2 2.66Å; E57-R73 PolarHBondContact OE1-NH2 3.26Å; L69-R73 HydrophobicContact CD1-CG 4.4Å; L69-R73 WeakPolarHBondContact O-CG 3.48Å; L69-R73 PolarHBondContact O-N 3.48Å; R70-R73 PolarHBondContact O-N 3.4Å; R70-R73 VanDerWaalsContact O-N 3.17Å; R73-I75 PolarHBondContact O-N 3.27Å; R73-H76 PolarHBondContact O-N 2.93Å; R73-H76 VanDerWaalsContact O-N 3.07Å; R73-S77 PolarHBondContact O-N 3.02Å
74	Y	93.8	Very high	93.4	Very high	73 Å²	73	74.9 Å²	74.9	29%	0.286	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-9.2	174	-62.9	-61.1	0	0	0	114.9	D71 H72 H76 S77 P81 C92	D71-Y74 PolarHBondContact O-N 3.11Å; H72-Y74 PolarHBondContact O-N 3.17Å; H72-Y74 VanDerWaalsContact O-N 3.09Å; Y74-H76 VanDerWaalsContact C-N 3.33Å; Y74-S77 VanDerWaalsContact O-O 3.04Å; Y74-P81 HydrophobicContact CD1-CG 4.3Å; Y74-P81 HydrophobicContact CD2-CG 4.14Å; Y74-P81 HydrophobicContact CE1-CG 4.03Å; Y74-P81 HydrophobicContact CE2-CG 3.87Å; Y74-P81 HydrophobicContact CG-CG 4.36Å; Y74-C92 HydrophobicContact CD2-CB 4.31Å
75	I	90.6	Very high	93.3	Very high	100 Å²	100	77.5 Å²	77.5	51%	0.513	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-27.2	170.6	82.5	173.4	0	0	0	111.9	H72 R73	H72-I75 WeakPolarHBondContact CE1-CD1 3.17Å; H72-I75 WeakPolarHBondContact ND1-CD1 3.41Å; H72-I75 VanDerWaalsContact O-CG1 3.24Å; H72-I75 WeakPolarHBondContact O-CG1 3.02Å; H72-I75 WeakPolarHBondContact O-CG2 3.46Å; H72-I75 PolarHBondContact O-N 3.47Å; R73-I75 PolarHBondContact O-N 3.27Å
76	H	92.1	Very high	93.3	Very high	75 Å²	75	78.8 Å²	78.8	35%	0.347	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-28.8	178.1	-57.5	-52.4	0	0	0	111.1	C56 T58 C59 H72 R73 Y74	C56-H76 VanDerWaalsContact SG-CD2 3.51Å; C56-H76 PolarHBondContact SG-NE2 3.19Å; T58-H76 HydrophobicContact CG2-CB 4.36Å; C59-H76 PolarHBondContact SG-NE2 3.15Å; C59-H76 VanDerWaalsContact SG-NE2 3.37Å; H72-H76 AromaticContact CE1-NE2 3.81Å; H72-H76 AromaticContact NE2-NE2 3.34Å; H72-H76 PolarHBondContact NE2-NE2 3.41Å; R73-H76 PolarHBondContact O-N 2.93Å; R73-H76 VanDerWaalsContact O-N 3.07Å; Y74-H76 VanDerWaalsContact C-N 3.33Å
77	S	88.6	Confident	93.2	Very high	52 Å²	52	77.5 Å²	77.5	36%	0.364	37%	0.373	S	S	.	.	S	Bend	trans	-75.7	141.3	170.8	-171.8	0	0	0	0	111.2	R73 Y74 D79	R73-S77 PolarHBondContact O-N 3.02Å; Y74-S77 VanDerWaalsContact O-O 3.04Å; S77-D79 PolarHBondContact OG-N 3.39Å; S77-D79 PolarHBondContact OG-O 3.22Å
78	K	81.1	Confident	93.3	Very high	216 Å²	216	78.2 Å²	78.2	94%	0.939	39%	0.388	S	S	*	.	S	Bend	trans	-72.7	-21.8	164.5	-66	-176.1	-178.4	178.5	0	111.6
79	D	87.6	Confident	93.2	Very high	98 Å²	98	80.2 Å²	80.2	52%	0.524	40%	0.396	S	S	.	.			trans	-87.1	115.7	179.4	-169	18.8	0	0	0	111	S77	S77-D79 PolarHBondContact OG-N 3.39Å; S77-D79 PolarHBondContact OG-O 3.22Å
80	K	92	Very high	93.1	Very high	76 Å²	76	80.7 Å²	80.7	33%	0.33	40%	0.402	S	S	.	.			trans	-111.6	122.8	179.3	-66.2	-175.8	-176.1	-178.5	0	108.5	F82 G90	K80-F82 PolarHBondContact O-N 3.23Å; K80-G90 WeakPolarHBondContact CD-O 3.41Å; K80-G90 PolarHBondContact NZ-O 2.87Å
81	P	93.1	Very high	93.1	Very high	59 Å²	59	75.9 Å²	75.9	38%	0.383	38%	0.384	S	S	.	.	S	Bend	trans	-67.6	-23.4	-168.2	24.5	-34.3	0	0	0	113.7	Y74	Y74-P81 HydrophobicContact CD1-CG 4.3Å; Y74-P81 HydrophobicContact CD2-CG 4.14Å; Y74-P81 HydrophobicContact CE1-CG 4.03Å; Y74-P81 HydrophobicContact CE2-CG 3.87Å; Y74-P81 HydrophobicContact CG-CG 4.36Å
82	F	95.5	Very high	93.2	Very high	73 Å²	73	75.9 Å²	75.9	32%	0.32	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	111.9	-178.8	-51.9	-73.1	0	0	0	109.7	K80 G90 F91 S94 M97	K80-F82 PolarHBondContact O-N 3.23Å; F82-G90 CarbonylContact O-C 3.48Å; F82-G90 WeakPolarHBondContact O-CA 3.44Å; F82-F91 HydrophobicContact CB-CB 4.43Å; F82-F91 PolarHBondContact N-O 2.82Å; F82-F91 PolarHBondContact O-N 2.8Å; F82-S94 VanDerWaalsContact CE2-N 3.35Å; F82-M97 HydrophobicContact CB-CB 3.99Å; F82-M97 HydrophobicContact CB-CE 4.46Å; F82-M97 HydrophobicContact CB-CG 4.22Å
83	K	95.9	Very high	93.1	Very high	134 Å²	134	79 Å²	79	58%	0.583	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	142.3	177.7	-62.6	179	-175.6	174.1	0	109.9	K89	K83-K89 WeakPolarHBondContact CA-O 3.42Å
84	C	96.9	Very high	93.1	Very high	2 Å²	2	76 Å²	76	1%	0.014	40%	0.396	C	S	.	.			trans	-70.9	126.5	167.5	-177.2	0	0	0	0	108.9	I86 G88 K89 F91 H104	C84-I86 PolarHBondContact O-N 2.77Å; C84-I86 PolarHBondContact SG-N 2.86Å; C84-G88 WeakPolarHBondContact O-CA 3.19Å; C84-G88 PolarHBondContact O-N 2.94Å; C84-K89 PolarHBondContact N-O 3.26Å; C84-F91 HydrophobicContact CB-CE2 4.33Å; C84-H104 VanDerWaalsContact SG-CD2 3.55Å; C84-H104 PolarHBondContact SG-NE2 3.29Å
85	D	95.6	Very high	93.2	Very high	109 Å²	109	81.5 Å²	81.5	58%	0.583	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-24.9	175.4	52.8	-23.4	0	0	0	113.6	R101	D85-R101 IonicContact OD1-CZ 3.35Å; D85-R101 IonicContact OD1-NE 3.04Å; D85-R101 PolarHBondContact OD1-NE 2.58Å; D85-R101 IonicContact OD1-NH2 3.68Å; D85-R101 IonicContact OD2-CZ 3.14Å; D85-R101 IonicContact OD2-NE 2.84Å; D85-R101 IonicContact OD2-NH2 3.64Å; D85-R101 PolarHBondContact OD2-NH2 2.85Å
86	I	96	Very high	93.4	Very high	103 Å²	103	79.9 Å²	79.9	53%	0.528	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-42.5	-177.2	-60	168.4	0	0	0	112.1	C84 H104	C84-I86 PolarHBondContact O-N 2.77Å; C84-I86 PolarHBondContact SG-N 2.86Å; I86-H104 HydrophobicContact CD1-CB 3.44Å; I86-H104 VanDerWaalsContact CD1-CB 3.44Å; I86-H104 HydrophobicContact CG2-CB 4.18Å
87	C	96.3	Very high	93.6	Very high	66 Å²	66	77.5 Å²	77.5	45%	0.446	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	3.3	-174.2	71.5	0	0	0	0	115	K89 H100 H104	C87-K89 PolarHBondContact O-N 3.42Å; C87-K89 VanDerWaalsContact SG-CB 3.53Å; C87-H100 PolarHBondContact SG-NE2 3.24Å; C87-H104 PolarHBondContact SG-NE2 2.77Å; C87-H104 VanDerWaalsContact SG-NE2 3.42Å
88	G	94.9	Very high	94	Very high	50 Å²	50	80.1 Å²	80.1	52%	0.515	41%	0.407	S	S	.	.			trans	71.3	-5.4	-179.4	0	0	0	0	0	115.6	C84 G90	C84-G88 WeakPolarHBondContact O-CA 3.19Å; C84-G88 PolarHBondContact O-N 2.94Å; G88-G90 PolarHBondContact O-N 3.14Å
89	K	95.1	Very high	94.6	Very high	121 Å²	121	71.2 Å²	71.2	53%	0.526	37%	0.371	S	S	.	.			trans	-59.9	127	-177.3	-171.8	169.3	-176.1	169.7	0	111.4	K83 C84 C87 F91	K83-K89 WeakPolarHBondContact CA-O 3.42Å; C84-K89 PolarHBondContact N-O 3.26Å; C87-K89 PolarHBondContact O-N 3.42Å; C87-K89 VanDerWaalsContact SG-CB 3.53Å; K89-F91 HydrophobicContact CB-CE2 4.05Å; K89-F91 HydrophobicContact CB-CZ 4.25Å; K89-F91 HydrophobicContact CD-CE2 4.48Å; K89-F91 HydrophobicContact CD-CZ 3.87Å; K89-F91 HydrophobicContact CG-CE2 3.96Å; K89-F91 HydrophobicContact CG-CZ 3.81Å; K89-F91 VanDerWaalsContact O-CD2 3.29Å; K89-F91 WeakPolarHBondContact O-CD2 3.41Å; K89-F91 WeakPolarHBondContact O-CE2 3.48Å
90	G	94.4	Very high	95	Very high	15 Å²	15	67.7 Å²	67.7	16%	0.155	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	148.8	179.5	0	0	0	0	0	114.5	K80 F82 G88	K80-G90 WeakPolarHBondContact CD-O 3.41Å; K80-G90 PolarHBondContact NZ-O 2.87Å; F82-G90 CarbonylContact O-C 3.48Å; F82-G90 WeakPolarHBondContact O-CA 3.44Å; G88-G90 PolarHBondContact O-N 3.14Å
91	F	94.5	Very high	95.2	Very high	25 Å²	25	69 Å²	69	11%	0.11	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	147.8	-179.7	-58.8	-91.4	0	0	0	112.1	F82 C84 K89 Q93 T96 M97 H100	F82-F91 HydrophobicContact CB-CB 4.43Å; F82-F91 PolarHBondContact N-O 2.82Å; F82-F91 PolarHBondContact O-N 2.8Å; C84-F91 HydrophobicContact CB-CE2 4.33Å; K89-F91 HydrophobicContact CB-CE2 4.05Å; K89-F91 HydrophobicContact CB-CZ 4.25Å; K89-F91 HydrophobicContact CD-CE2 4.48Å; K89-F91 HydrophobicContact CD-CZ 3.87Å; K89-F91 HydrophobicContact CG-CE2 3.96Å; K89-F91 HydrophobicContact CG-CZ 3.81Å; K89-F91 VanDerWaalsContact O-CD2 3.29Å; K89-F91 WeakPolarHBondContact O-CD2 3.41Å; K89-F91 WeakPolarHBondContact O-CE2 3.48Å; F91-Q93 VanDerWaalsContact C-N 3.33Å; F91-T96 HydrophobicContact CD1-CG2 3.79Å; F91-T96 HydrophobicContact CE1-CG2 4.32Å; F91-M97 HydrophobicContact CB-CB 3.89Å; F91-M97 HydrophobicContact CD2-CB 3.47Å; F91-M97 VanDerWaalsContact CD2-CB 3.47Å; F91-M97 HydrophobicContact CD2-CG 3.64Å; F91-M97 HydrophobicContact CE2-CB 4.21Å; F91-M97 HydrophobicContact CE2-CG 4.13Å; F91-M97 HydrophobicContact CG-CB 3.74Å; F91-M97 HydrophobicContact CG-CG 4.41Å; F91-H100 HydrophobicContact CE1-CB 3.82Å; F91-H100 HydrophobicContact CE2-CB 4.08Å; F91-H100 AromaticContact CE2-CD2 3.47Å; F91-H100 VanDerWaalsContact CE2-CD2 3.47Å; F91-H100 WeakPolarHBondContact CE2-CD2 3.46Å; F91-H100 AromaticContact CE2-CG 3.84Å; F91-H100 HydrophobicContact CZ-CB 3.42Å; F91-H100 VanDerWaalsContact CZ-CB 3.42Å; F91-H100 AromaticContact CZ-CD2 3.31Å; F91-H100 WeakPolarHBondContact CZ-CD2 3.36Å; F91-H100 AromaticContact CZ-CG 3.21Å; F91-H100 AromaticContact CZ-ND1 3.83Å; F91-H100 AromaticContact CZ-NE2 3.94Å
92	C	93.6	Very high	95.2	Very high	27 Å²	27	68.1 Å²	68.1	18%	0.182	35%	0.346	C	S	.	.	S	Bend	trans	-76.9	-18	177.4	-48.2	0	0	0	0	113.5	D71 Y74	D71-C92 WeakPolarHBondContact O-CB 3.45Å; Y74-C92 HydrophobicContact CD2-CB 4.31Å
93	Q	93.3	Very high	95.1	Very high	81 Å²	81	69.3 Å²	69.3	38%	0.379	36%	0.355	S	S	.	.	S	Bend	trans	-136	135.9	-176.4	-64.3	-180	-20.2	0	0	111	D71 F91 R95 T96 M97	D71-Q93 HydrophobicContact CB-CG 4.29Å; D71-Q93 WeakPolarHBondContact OD2-CG 3.38Å; D71-Q93 PolarHBondContact OD2-NE2 3.4Å; F91-Q93 VanDerWaalsContact C-N 3.33Å; Q93-R95 PolarHBondContact O-N 3.28Å; Q93-T96 PolarHBondContact O-N 3.45Å; Q93-M97 PolarHBondContact O-N 3.07Å
94	S	95	Very high	94.9	Very high	42 Å²	42	66.1 Å²	66.1	29%	0.294	34%	0.342	S	S	.	.	H	α-helix	trans	-57.2	-45.1	179.9	177.7	0	0	0	0	112.6	F82 T96 M97 Q98	F82-S94 VanDerWaalsContact CE2-N 3.35Å; S94-T96 VanDerWaalsContact C-N 3.28Å; S94-T96 PolarHBondContact O-N 2.97Å; S94-M97 WeakPolarHBondContact O-CB 3.47Å; S94-M97 PolarHBondContact O-N 3.37Å; S94-M97 VanDerWaalsContact O-N 3.11Å; S94-Q98 WeakPolarHBondContact O-CG 3.47Å; S94-Q98 PolarHBondContact O-N 3.35Å
95	R	94.5	Very high	94.7	Very high	187 Å²	187	70.7 Å²	70.7	71%	0.706	37%	0.365	S	S	*	.	H	α-helix	trans	-57.7	-40.3	178.9	-176.2	178.7	-178.9	-164.4	0.2	112.6	Q93 Q98 V99	Q93-R95 PolarHBondContact O-N 3.28Å; R95-Q98 PolarHBondContact O-N 2.79Å; R95-V99 WeakPolarHBondContact O-CG2 3.34Å; R95-V99 PolarHBondContact O-N 3.05Å
96	T	95.5	Very high	94.2	Very high	67 Å²	67	73.9 Å²	73.9	41%	0.411	38%	0.382	S	S	.	.	H	α-helix	trans	-68.3	-39.8	179.3	-52.3	0	0	0	0	111	F91 Q93 S94 H100	F91-T96 HydrophobicContact CD1-CG2 3.79Å; F91-T96 HydrophobicContact CE1-CG2 4.32Å; Q93-T96 PolarHBondContact O-N 3.45Å; S94-T96 VanDerWaalsContact C-N 3.28Å; S94-T96 PolarHBondContact O-N 2.97Å; T96-H100 WeakPolarHBondContact O-CB 3.25Å; T96-H100 PolarHBondContact O-N 3.29Å
97	M	96.5	Very high	93.7	Very high	25 Å²	25	75.9 Å²	75.9	12%	0.123	39%	0.387	C	S	.	.	H	α-helix	trans	-62.5	-44.7	172.3	179.6	-80.1	-67.8	0	0	111.4	F82 F91 Q93 S94 V99 H100 R101	F82-M97 HydrophobicContact CB-CB 3.99Å; F82-M97 HydrophobicContact CB-CE 4.46Å; F82-M97 HydrophobicContact CB-CG 4.22Å; F91-M97 HydrophobicContact CB-CB 3.89Å; F91-M97 HydrophobicContact CD2-CB 3.47Å; F91-M97 VanDerWaalsContact CD2-CB 3.47Å; F91-M97 HydrophobicContact CD2-CG 3.64Å; F91-M97 HydrophobicContact CE2-CB 4.21Å; F91-M97 HydrophobicContact CE2-CG 4.13Å; F91-M97 HydrophobicContact CG-CB 3.74Å; F91-M97 HydrophobicContact CG-CG 4.41Å; Q93-M97 PolarHBondContact O-N 3.07Å; S94-M97 WeakPolarHBondContact O-CB 3.47Å; S94-M97 PolarHBondContact O-N 3.37Å; S94-M97 VanDerWaalsContact O-N 3.11Å; M97-V99 PolarHBondContact O-N 3.5Å; M97-H100 CarbonylContact O-C 3.48Å; M97-H100 WeakPolarHBondContact O-CA 3.49Å; M97-H100 WeakPolarHBondContact O-CB 3.45Å; M97-H100 PolarHBondContact O-N 3.23Å; M97-H100 VanDerWaalsContact O-N 3.11Å; M97-R101 WeakPolarHBondContact O-CG 3.33Å; M97-R101 PolarHBondContact O-N 2.9Å; M97-R101 WeakPolarHBondContact SD-CD 3.39Å; M97-R101 HydrophobicContact SD-CG 3.75Å
98	Q	95.8	Very high	93.4	Very high	106 Å²	106	73.6 Å²	73.6	50%	0.495	37%	0.372	S	S	.	.	H	α-helix	trans	-60.9	-44.7	177.5	-71.9	175.4	-23	0	0	112.3	S94 R95 H100 R101 I102	S94-Q98 WeakPolarHBondContact O-CG 3.47Å; S94-Q98 PolarHBondContact O-N 3.35Å; R95-Q98 PolarHBondContact O-N 2.79Å; Q98-H100 VanDerWaalsContact C-N 3.27Å; Q98-H100 PolarHBondContact O-N 3.2Å; Q98-R101 PolarHBondContact O-N 3.04Å; Q98-I102 PolarHBondContact O-N 3.27Å
99	V	95.3	Very high	93.3	Very high	29 Å²	29	74.8 Å²	74.8	18%	0.176	37%	0.371	C	S	.	.	H	α-helix	trans	-64.4	-34.4	174.7	171	0	0	0	0	111.6	R95 M97 I102 Q121	R95-V99 WeakPolarHBondContact O-CG2 3.34Å; R95-V99 PolarHBondContact O-N 3.05Å; M97-V99 PolarHBondContact O-N 3.5Å; V99-I102 WeakPolarHBondContact O-CB 3.4Å; V99-Q121 HydrophobicContact CG1-CG 3.61Å; V99-Q121 HydrophobicContact CG2-CG 4.35Å
100	H	95.7	Very high	93.3	Very high	25 Å²	25	71.8 Å²	71.8	12%	0.116	36%	0.358	C	S	.	.	H	α-helix	trans	-66.9	-41	173	166.4	73.6	0	0	0	112.1	C87 F91 T96 M97 Q98 I102 L103 H104	C87-H100 PolarHBondContact SG-NE2 3.24Å; F91-H100 HydrophobicContact CE1-CB 3.82Å; F91-H100 HydrophobicContact CE2-CB 4.08Å; F91-H100 AromaticContact CE2-CD2 3.47Å; F91-H100 VanDerWaalsContact CE2-CD2 3.47Å; F91-H100 WeakPolarHBondContact CE2-CD2 3.46Å; F91-H100 AromaticContact CE2-CG 3.84Å; F91-H100 HydrophobicContact CZ-CB 3.42Å; F91-H100 VanDerWaalsContact CZ-CB 3.42Å; F91-H100 AromaticContact CZ-CD2 3.31Å; F91-H100 WeakPolarHBondContact CZ-CD2 3.36Å; F91-H100 AromaticContact CZ-CG 3.21Å; F91-H100 AromaticContact CZ-ND1 3.83Å; F91-H100 AromaticContact CZ-NE2 3.94Å; T96-H100 WeakPolarHBondContact O-CB 3.25Å; T96-H100 PolarHBondContact O-N 3.29Å; M97-H100 CarbonylContact O-C 3.48Å; M97-H100 WeakPolarHBondContact O-CA 3.49Å; M97-H100 WeakPolarHBondContact O-CB 3.45Å; M97-H100 PolarHBondContact O-N 3.23Å; M97-H100 VanDerWaalsContact O-N 3.11Å; Q98-H100 VanDerWaalsContact C-N 3.27Å; Q98-H100 PolarHBondContact O-N 3.2Å; H100-I102 PolarHBondContact O-N 3.13Å; H100-L103 WeakPolarHBondContact O-CB 3.48Å; H100-L103 PolarHBondContact O-N 3.25Å; H100-H104 AromaticContact CE1-NE2 3.76Å; H100-H104 AromaticContact NE2-NE2 3.27Å; H100-H104 PolarHBondContact NE2-NE2 3.17Å
101	R	95.3	Very high	93.4	Very high	104 Å²	104	73.3 Å²	73.3	39%	0.392	37%	0.365	S	S	.	.	H	α-helix	trans	-56.7	-32.7	178.4	-75.2	179.6	76.6	-143.3	9.6	112.6	D85 M97 Q98 L103 H104	D85-R101 IonicContact OD1-CZ 3.35Å; D85-R101 IonicContact OD1-NE 3.04Å; D85-R101 PolarHBondContact OD1-NE 2.58Å; D85-R101 IonicContact OD1-NH2 3.68Å; D85-R101 IonicContact OD2-CZ 3.14Å; D85-R101 IonicContact OD2-NE 2.84Å; D85-R101 IonicContact OD2-NH2 3.64Å; D85-R101 PolarHBondContact OD2-NH2 2.85Å; M97-R101 WeakPolarHBondContact O-CG 3.33Å; M97-R101 PolarHBondContact O-N 2.9Å; M97-R101 WeakPolarHBondContact SD-CD 3.39Å; M97-R101 HydrophobicContact SD-CG 3.75Å; Q98-R101 PolarHBondContact O-N 3.04Å; R101-L103 PolarHBondContact O-N 3.14Å; R101-H104 WeakPolarHBondContact O-CB 3.33Å; R101-H104 PolarHBondContact O-N 3.47Å
102	I	94.3	Very high	93.5	Very high	40 Å²	40	72.2 Å²	72.2	21%	0.205	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-59.6	-25.8	174.6	-65.6	171.4	0	0	0	112.5	Q98 V99 H100 H104 L105 P108 P109 N120	Q98-I102 PolarHBondContact O-N 3.27Å; V99-I102 WeakPolarHBondContact O-CB 3.4Å; H100-I102 PolarHBondContact O-N 3.13Å; I102-H104 PolarHBondContact O-N 3.25Å; I102-L105 HydrophobicContact CG2-CD1 4.43Å; I102-L105 WeakPolarHBondContact O-CB 3.16Å; I102-L105 PolarHBondContact O-N 3.49Å; I102-P108 HydrophobicContact CG2-CB 4.19Å; I102-P109 HydrophobicContact CD1-CG 4.44Å; I102-P109 HydrophobicContact CG2-CG 4.1Å; I102-N120 HydrophobicContact CG2-CB 4.01Å
103	L	91.8	Very high	93.5	Very high	98 Å²	98	76.1 Å²	76.1	51%	0.513	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-72.3	-16.3	177.4	-61	175.8	0	0	0	113.4	H100 R101 L105 N120	H100-L103 WeakPolarHBondContact O-CB 3.48Å; H100-L103 PolarHBondContact O-N 3.25Å; R101-L103 PolarHBondContact O-N 3.14Å; L103-L105 VanDerWaalsContact C-N 3.33Å; L103-N120 HydrophobicContact CD2-CB 3.84Å
104	H	93.6	Very high	93.6	Very high	66 Å²	66	78.8 Å²	78.8	31%	0.306	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-86.8	-6.8	173.3	-63.3	-63	0	0	0	112.8	C84 I86 C87 H100 R101 I102	C84-H104 VanDerWaalsContact SG-CD2 3.55Å; C84-H104 PolarHBondContact SG-NE2 3.29Å; I86-H104 HydrophobicContact CD1-CB 3.44Å; I86-H104 VanDerWaalsContact CD1-CB 3.44Å; I86-H104 HydrophobicContact CG2-CB 4.18Å; C87-H104 PolarHBondContact SG-NE2 2.77Å; C87-H104 VanDerWaalsContact SG-NE2 3.42Å; H100-H104 AromaticContact CE1-NE2 3.76Å; H100-H104 AromaticContact NE2-NE2 3.27Å; H100-H104 PolarHBondContact NE2-NE2 3.17Å; R101-H104 WeakPolarHBondContact O-CB 3.33Å; R101-H104 PolarHBondContact O-N 3.47Å; I102-H104 PolarHBondContact O-N 3.25Å
105	L	91.3	Very high	93.7	Very high	98 Å²	98	79.5 Å²	79.5	51%	0.513	40%	0.403	S	S	.	.	S	Bend	trans	-79.1	140.3	170.9	-55.3	177.1	0	0	0	108.9	I102 L103 K107	I102-L105 HydrophobicContact CG2-CD1 4.43Å; I102-L105 WeakPolarHBondContact O-CB 3.16Å; I102-L105 PolarHBondContact O-N 3.49Å; L103-L105 VanDerWaalsContact C-N 3.33Å; L105-K107 PolarHBondContact O-N 3.07Å; L105-K107 VanDerWaalsContact O-N 3.13Å
106	D	86	Confident	93.7	Very high	176 Å²	176	76.5 Å²	76.5	94%	0.941	40%	0.4	S	S	*	.	S	Bend	trans	-55.9	-33.6	176.5	-61.5	-40.5	0	0	0	112.2
107	K	86	Confident	93.6	Very high	145 Å²	145	80.9 Å²	80.9	63%	0.63	41%	0.409	S	S	*	.	S	Bend	trans	-130.9	106.7	180	-164.9	175.2	-177.5	176.4	0	111.8	L105 T118	L105-K107 PolarHBondContact O-N 3.07Å; L105-K107 VanDerWaalsContact O-N 3.13Å; K107-T118 HydrophobicContact CG-CG2 4.12Å
108	P	88.5	Confident	93.5	Very high	19 Å²	19	82.3 Å²	82.3	12%	0.123	42%	0.42	C	S	.	.			trans	-57.7	147.5	170.5	-25.2	33.8	0	0	0	112.1	I102 H110 F119	I102-P108 HydrophobicContact CG2-CB 4.19Å; P108-H110 VanDerWaalsContact C-N 3.28Å; P108-H110 PolarHBondContact O-N 2.97Å; P108-F119 WeakPolarHBondContact CB-O 3.45Å
109	P	92.7	Very high	93.5	Very high	75 Å²	75	78.6 Å²	78.6	49%	0.487	40%	0.402	S	S	.	.	S	Bend	trans	-71.4	-17.1	-164.3	27.1	-35.9	0	0	0	114.6	I102	I102-P109 HydrophobicContact CD1-CG 4.44Å; I102-P109 HydrophobicContact CG2-CG 4.1Å
110	H	95.5	Very high	93.5	Very high	58 Å²	58	78.8 Å²	78.8	27%	0.269	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	96.3	-174.7	-55.9	-61.2	0	0	0	110.3	P108 T118 F119 S122 L125	P108-H110 VanDerWaalsContact C-N 3.28Å; P108-H110 PolarHBondContact O-N 2.97Å; H110-T118 CarbonylContact O-C 3.55Å; H110-T118 WeakPolarHBondContact O-CA 3.46Å; H110-F119 HydrophobicContact CB-CB 4.17Å; H110-F119 WeakPolarHBondContact CB-O 3.48Å; H110-F119 PolarHBondContact N-O 3.13Å; H110-F119 WeakPolarHBondContact O-CD2 3.46Å; H110-F119 PolarHBondContact O-N 2.66Å; H110-S122 PolarHBondContact CD2-N 3.39Å; H110-S122 PolarHBondContact NE2-N 2.92Å; H110-L125 HydrophobicContact CB-CB 4.09Å; H110-L125 HydrophobicContact CB-CD2 3.86Å
111	T	95.7	Very high	93.5	Very high	47 Å²	47	80.8 Å²	80.8	29%	0.288	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	137	177.6	-49.3	0	0	0	0	111.1	T118	T111-T118 HydrophobicContact CG2-CG2 4.17Å
112	C	97	Very high	93.5	Very high	1 Å²	1	78.7 Å²	78.7	1%	0.007	41%	0.412	C	S	.	.			trans	-75.3	122.4	169.3	-178.9	0	0	0	0	110.3	K114 N116 R117 F119 L125 H128 H132	C112-K114 PolarHBondContact O-N 3.28Å; C112-K114 PolarHBondContact SG-N 3.2Å; C112-N116 WeakPolarHBondContact O-CA 3.48Å; C112-N116 PolarHBondContact O-N 3.04Å; C112-R117 PolarHBondContact N-O 3.39Å; C112-F119 HydrophobicContact CB-CE2 4.33Å; C112-L125 HydrophobicContact CB-CD1 3.78Å; C112-H128 WeakPolarHBondContact CB-NE2 3.35Å; C112-H128 PolarHBondContact SG-NE2 2.78Å; C112-H132 PolarHBondContact SG-NE2 3.46Å
113	S	95.1	Very high	93.5	Very high	110 Å²	110	79.4 Å²	79.4	77%	0.769	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-16.9	178.8	54.5	0	0	0	0	114.5
114	K	94.7	Very high	93.7	Very high	136 Å²	136	78 Å²	78	59%	0.591	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-30.4	-177.9	-68.2	-170.4	172.5	-157	0	114.4	C112 H132	C112-K114 PolarHBondContact O-N 3.28Å; C112-K114 PolarHBondContact SG-N 3.2Å; K114-H132 HydrophobicContact CD-CB 3.5Å; K114-H132 VanDerWaalsContact CD-CB 3.5Å
115	C	96.4	Very high	93.8	Very high	58 Å²	58	76.1 Å²	76.1	39%	0.392	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.4	7.8	-177.3	66.4	0	0	0	0	114.2	R117 H128 H132	C115-R117 PolarHBondContact O-N 3.03Å; C115-H128 PolarHBondContact SG-NE2 3.2Å; C115-H132 PolarHBondContact SG-NE2 3.23Å
116	N	94.3	Very high	94	Very high	123 Å²	123	78.3 Å²	78.3	66%	0.658	41%	0.411	S	S	*	.			trans	59	9	179.6	-61.5	-45.4	0	0	0	115.9	C112	C112-N116 WeakPolarHBondContact O-CA 3.48Å; C112-N116 PolarHBondContact O-N 3.04Å
117	R	95	Very high	94.4	Very high	160 Å²	160	72.2 Å²	72.2	60%	0.604	38%	0.381	S	S	*	.			trans	-65.6	135.6	174.3	-171.4	170.2	-178.7	166.4	4.8	110.9	C112 C115 F119	C112-R117 PolarHBondContact N-O 3.39Å; C115-R117 PolarHBondContact O-N 3.03Å; R117-F119 HydrophobicContact CB-CE2 4.13Å; R117-F119 HydrophobicContact CB-CZ 4.3Å; R117-F119 HydrophobicContact CG-CE2 3.98Å; R117-F119 HydrophobicContact CG-CZ 3.8Å; R117-F119 WeakPolarHBondContact O-CE2 3.45Å
118	T	94.2	Very high	94.9	Very high	55 Å²	55	66.4 Å²	66.4	34%	0.337	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	152	-178.2	59.9	0	0	0	0	112.4	K107 H110 T111	K107-T118 HydrophobicContact CG-CG2 4.12Å; H110-T118 CarbonylContact O-C 3.55Å; H110-T118 WeakPolarHBondContact O-CA 3.46Å; T111-T118 HydrophobicContact CG2-CG2 4.17Å
119	F	95.6	Very high	95.2	Very high	28 Å²	28	68.6 Å²	68.6	12%	0.123	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	141.8	-178.4	-57.9	-90.4	0	0	0	110	P108 H110 C112 R117 Q121 N124 L125 H128	P108-F119 WeakPolarHBondContact CB-O 3.45Å; H110-F119 HydrophobicContact CB-CB 4.17Å; H110-F119 WeakPolarHBondContact CB-O 3.48Å; H110-F119 PolarHBondContact N-O 3.13Å; H110-F119 WeakPolarHBondContact O-CD2 3.46Å; H110-F119 PolarHBondContact O-N 2.66Å; C112-F119 HydrophobicContact CB-CE2 4.33Å; R117-F119 HydrophobicContact CB-CE2 4.13Å; R117-F119 HydrophobicContact CB-CZ 4.3Å; R117-F119 HydrophobicContact CG-CE2 3.98Å; R117-F119 HydrophobicContact CG-CZ 3.8Å; R117-F119 WeakPolarHBondContact O-CE2 3.45Å; F119-Q121 VanDerWaalsContact C-N 3.27Å; F119-Q121 PolarHBondContact O-N 3.22Å; F119-N124 HydrophobicContact CB-CB 4.27Å; F119-N124 HydrophobicContact CD1-CB 3.82Å; F119-N124 HydrophobicContact CG-CB 4.35Å; F119-L125 HydrophobicContact CB-CB 4.31Å; F119-L125 HydrophobicContact CD2-CB 3.84Å; F119-L125 HydrophobicContact CD2-CD1 3.82Å; F119-L125 HydrophobicContact CD2-CG 4.4Å; F119-L125 HydrophobicContact CE2-CD1 3.87Å; F119-L125 HydrophobicContact CG-CB 4.16Å; F119-H128 HydrophobicContact CE1-CB 3.8Å; F119-H128 HydrophobicContact CE2-CB 3.96Å; F119-H128 AromaticContact CE2-CD2 3.41Å; F119-H128 VanDerWaalsContact CE2-CD2 3.41Å; F119-H128 WeakPolarHBondContact CE2-CD2 3.36Å; F119-H128 AromaticContact CE2-CG 3.69Å; F119-H128 HydrophobicContact CZ-CB 3.35Å; F119-H128 AromaticContact CZ-CD2 3.41Å; F119-H128 VanDerWaalsContact CZ-CD2 3.41Å; F119-H128 WeakPolarHBondContact CZ-CD2 3.43Å; F119-H128 AromaticContact CZ-CG 3.18Å; F119-H128 AromaticContact CZ-ND1 3.72Å
120	N	94.3	Very high	95.3	Very high	33 Å²	33	67.8 Å²	67.8	18%	0.176	36%	0.355	C	S	.	.	S	Bend	trans	-78.1	-11.1	175.6	65.4	-8.3	0	0	0	113.8	I102 L103 N124	I102-N120 HydrophobicContact CG2-CB 4.01Å; L103-N120 HydrophobicContact CD2-CB 3.84Å; N120-N124 PolarHBondContact OD1-ND2 2.82Å
121	Q	95.7	Very high	95.2	Very high	66 Å²	66	67.4 Å²	67.4	31%	0.308	36%	0.357	S	S	.	.	S	Bend	trans	-139.7	138.1	-178.8	-68.2	178	81.8	0	0	111	V99 F119 S123 N124 L125	V99-Q121 HydrophobicContact CG1-CG 3.61Å; V99-Q121 HydrophobicContact CG2-CG 4.35Å; F119-Q121 VanDerWaalsContact C-N 3.27Å; F119-Q121 PolarHBondContact O-N 3.22Å; Q121-S123 VanDerWaalsContact C-N 3.29Å; Q121-S123 PolarHBondContact O-N 3.3Å; Q121-N124 HydrophobicContact CB-CB 4.49Å; Q121-N124 WeakPolarHBondContact O-CB 3.03Å; Q121-N124 PolarHBondContact O-N 3.01Å; Q121-N124 VanDerWaalsContact O-N 3.14Å; Q121-L125 PolarHBondContact O-N 3.38Å
122	S	95.8	Very high	95.2	Very high	60 Å²	60	68 Å²	68	42%	0.42	36%	0.356	S	S	.	.	H	α-helix	trans	-63.6	-32.2	179.6	61.4	0	0	0	0	113.2	H110 N124 L125 K126	H110-S122 PolarHBondContact CD2-N 3.39Å; H110-S122 PolarHBondContact NE2-N 2.92Å; S122-N124 VanDerWaalsContact C-N 3.3Å; S122-N124 PolarHBondContact O-N 3.31Å; S122-L125 PolarHBondContact O-N 2.69Å; S122-K126 WeakPolarHBondContact O-CG 3.39Å; S122-K126 PolarHBondContact O-N 3.31Å
123	S	95	Very high	95	Very high	55 Å²	55	71.4 Å²	71.4	39%	0.385	38%	0.377	S	S	.	.	H	α-helix	trans	-62.2	-37	174.3	50.4	0	0	0	0	112.5	Q121 T127	Q121-S123 VanDerWaalsContact C-N 3.29Å; Q121-S123 PolarHBondContact O-N 3.3Å; S123-T127 WeakPolarHBondContact O-CB 3.13Å; S123-T127 PolarHBondContact O-N 3.2Å; S123-T127 PolarHBondContact O-OG1 3.17Å
124	N	95.6	Very high	94.6	Very high	68 Å²	68	71.9 Å²	71.9	36%	0.364	37%	0.371	S	S	.	.	H	α-helix	trans	-69.9	-42.8	176.8	-67.5	-14.4	0	0	0	110.5	F119 N120 Q121 S122 T127 H128	F119-N124 HydrophobicContact CB-CB 4.27Å; F119-N124 HydrophobicContact CD1-CB 3.82Å; F119-N124 HydrophobicContact CG-CB 4.35Å; N120-N124 PolarHBondContact OD1-ND2 2.82Å; Q121-N124 HydrophobicContact CB-CB 4.49Å; Q121-N124 WeakPolarHBondContact O-CB 3.03Å; Q121-N124 PolarHBondContact O-N 3.01Å; Q121-N124 VanDerWaalsContact O-N 3.14Å; S122-N124 VanDerWaalsContact C-N 3.3Å; S122-N124 PolarHBondContact O-N 3.31Å; N124-T127 PolarHBondContact O-N 2.86Å; N124-H128 WeakPolarHBondContact O-CB 3.32Å; N124-H128 PolarHBondContact O-N 3.11Å
125	L	96.3	Very high	94.5	Very high	28 Å²	28	68.9 Å²	68.9	15%	0.147	36%	0.364	C	S	.	.	H	α-helix	trans	-59.1	-49.5	172.1	173.6	58.5	0	0	0	111.4	H110 C112 F119 Q121 S122 T127 H128 L129	H110-L125 HydrophobicContact CB-CB 4.09Å; H110-L125 HydrophobicContact CB-CD2 3.86Å; C112-L125 HydrophobicContact CB-CD1 3.78Å; F119-L125 HydrophobicContact CB-CB 4.31Å; F119-L125 HydrophobicContact CD2-CB 3.84Å; F119-L125 HydrophobicContact CD2-CD1 3.82Å; F119-L125 HydrophobicContact CD2-CG 4.4Å; F119-L125 HydrophobicContact CE2-CD1 3.87Å; F119-L125 HydrophobicContact CG-CB 4.16Å; Q121-L125 PolarHBondContact O-N 3.38Å; S122-L125 PolarHBondContact O-N 2.69Å; L125-T127 VanDerWaalsContact C-N 3.29Å; L125-T127 PolarHBondContact O-N 3.09Å; L125-H128 CarbonylContact O-C 3.57Å; L125-H128 WeakPolarHBondContact O-CA 3.49Å; L125-H128 WeakPolarHBondContact O-CB 3.41Å; L125-H128 PolarHBondContact O-N 3.37Å; L125-L129 HydrophobicContact CD1-CD2 4.27Å; L125-L129 HydrophobicContact CD1-CG 4.3Å; L125-L129 WeakPolarHBondContact O-CG 3.47Å; L125-L129 PolarHBondContact O-N 3.27Å
126	K	94.9	Very high	94.4	Very high	143 Å²	143	71 Å²	71	62%	0.622	37%	0.366	S	S	*	.	H	α-helix	trans	-55.4	-44.5	177.4	-74.7	179.1	-177.6	-175.4	0	112.2	S122 H128 L129	S122-K126 WeakPolarHBondContact O-CG 3.39Å; S122-K126 PolarHBondContact O-N 3.31Å; K126-H128 VanDerWaalsContact C-N 3.34Å; K126-L129 PolarHBondContact O-N 3.19Å
127	T	94.7	Very high	94.3	Very high	49 Å²	49	67.8 Å²	67.8	30%	0.301	35%	0.352	S	S	.	.	H	α-helix	trans	-66.3	-38.2	176.7	-55.2	0	0	0	0	111.6	S123 N124 L125 F130 R151	S123-T127 WeakPolarHBondContact O-CB 3.13Å; S123-T127 PolarHBondContact O-N 3.2Å; S123-T127 PolarHBondContact O-OG1 3.17Å; N124-T127 PolarHBondContact O-N 2.86Å; L125-T127 VanDerWaalsContact C-N 3.29Å; L125-T127 PolarHBondContact O-N 3.09Å; T127-F130 WeakPolarHBondContact O-CD2 3.42Å; T127-F130 PolarHBondContact O-N 2.99Å; T127-R151 HydrophobicContact CG2-CG 3.66Å
128	H	95.4	Very high	94.4	Very high	22 Å²	22	63.4 Å²	63.4	10%	0.102	34%	0.338	C	S	.	.	H	α-helix	trans	-64.1	-37.7	176.2	163.7	70	0	0	0	112.2	C112 C115 F119 N124 L125 K126 F130 T131 H132	C112-H128 WeakPolarHBondContact CB-NE2 3.35Å; C112-H128 PolarHBondContact SG-NE2 2.78Å; C115-H128 PolarHBondContact SG-NE2 3.2Å; F119-H128 HydrophobicContact CE1-CB 3.8Å; F119-H128 HydrophobicContact CE2-CB 3.96Å; F119-H128 AromaticContact CE2-CD2 3.41Å; F119-H128 VanDerWaalsContact CE2-CD2 3.41Å; F119-H128 WeakPolarHBondContact CE2-CD2 3.36Å; F119-H128 AromaticContact CE2-CG 3.69Å; F119-H128 HydrophobicContact CZ-CB 3.35Å; F119-H128 AromaticContact CZ-CD2 3.41Å; F119-H128 VanDerWaalsContact CZ-CD2 3.41Å; F119-H128 WeakPolarHBondContact CZ-CD2 3.43Å; F119-H128 AromaticContact CZ-CG 3.18Å; F119-H128 AromaticContact CZ-ND1 3.72Å; N124-H128 WeakPolarHBondContact O-CB 3.32Å; N124-H128 PolarHBondContact O-N 3.11Å; L125-H128 CarbonylContact O-C 3.57Å; L125-H128 WeakPolarHBondContact O-CA 3.49Å; L125-H128 WeakPolarHBondContact O-CB 3.41Å; L125-H128 PolarHBondContact O-N 3.37Å; K126-H128 VanDerWaalsContact C-N 3.34Å; H128-F130 PolarHBondContact O-N 3.39Å; H128-T131 PolarHBondContact CE1-OG1 3.11Å; H128-T131 PolarHBondContact ND1-OG1 3.43Å; H128-T131 VanDerWaalsContact O-CB 3.31Å; H128-T131 WeakPolarHBondContact O-CB 3.5Å; H128-T131 VanDerWaalsContact O-CG2 3.28Å; H128-T131 WeakPolarHBondContact O-CG2 3.42Å; H128-T131 PolarHBondContact O-N 3.17Å; H128-T131 PolarHBondContact O-OG1 2.85Å; H128-H132 AromaticContact CE1-NE2 3.55Å; H128-H132 AromaticContact NE2-CD2 3.85Å; H128-H132 AromaticContact NE2-NE2 3.26Å; H128-H132 PolarHBondContact NE2-NE2 3.4Å
129	L	94.9	Very high	94.5	Very high	65 Å²	65	65.8 Å²	65.8	34%	0.34	35%	0.349	S	S	.	.	H	α-helix	trans	-55.8	-26.7	-179.2	-68.6	174	0	0	0	113.8	L125 K126 T131 H132 T133	L125-L129 HydrophobicContact CD1-CD2 4.27Å; L125-L129 HydrophobicContact CD1-CG 4.3Å; L125-L129 WeakPolarHBondContact O-CG 3.47Å; L125-L129 PolarHBondContact O-N 3.27Å; K126-L129 PolarHBondContact O-N 3.19Å; L129-T131 PolarHBondContact O-N 3.22Å; L129-H132 PolarHBondContact O-N 2.97Å; L129-T133 PolarHBondContact O-N 3.04Å
130	F	94.4	Very high	94.5	Very high	59 Å²	59	65 Å²	65	26%	0.259	35%	0.347	S	S	.	.	H	α-helix	trans	-65.3	-12.1	171.8	-63.5	-49.2	0	0	0	114.6	T127 H128 H132 N134 V135 P137 R150	T127-F130 WeakPolarHBondContact O-CD2 3.42Å; T127-F130 PolarHBondContact O-N 2.99Å; H128-F130 PolarHBondContact O-N 3.39Å; F130-H132 VanDerWaalsContact C-N 3.27Å; F130-N134 PolarHBondContact O-N 2.95Å; F130-V135 WeakPolarHBondContact CB-O 3.5Å; F130-V135 HydrophobicContact CD1-CB 3.91Å; F130-V135 HydrophobicContact CD1-CG1 4.09Å; F130-V135 HydrophobicContact CE1-CB 4.33Å; F130-V135 HydrophobicContact CE1-CG1 4.04Å; F130-P137 HydrophobicContact CE1-CG 4.25Å; F130-P137 HydrophobicContact CE2-CG 4.06Å; F130-P137 HydrophobicContact CZ-CG 3.84Å; F130-R150 HydrophobicContact CB-CG 3.5Å; F130-R150 HydrophobicContact CD2-CG 3.96Å; F130-R150 HydrophobicContact CG-CG 4.13Å; F130-R150 PolarHBondContact O-NE 3.41Å
131	T	94.5	Very high	94.5	Very high	50 Å²	50	68.3 Å²	68.3	31%	0.307	37%	0.37	S	S	.	.	H	α-helix	trans	-73.2	-23.9	169.3	67.2	0	0	0	0	111.7	H128 L129 R150	H128-T131 PolarHBondContact CE1-OG1 3.11Å; H128-T131 PolarHBondContact ND1-OG1 3.43Å; H128-T131 VanDerWaalsContact O-CB 3.31Å; H128-T131 WeakPolarHBondContact O-CB 3.5Å; H128-T131 VanDerWaalsContact O-CG2 3.28Å; H128-T131 WeakPolarHBondContact O-CG2 3.42Å; H128-T131 PolarHBondContact O-N 3.17Å; H128-T131 PolarHBondContact O-OG1 2.85Å; L129-T131 PolarHBondContact O-N 3.22Å; T131-R150 VanDerWaalsContact CG2-CZ 3.5Å; T131-R150 VanDerWaalsContact CG2-NH1 3.33Å
132	H	95.3	Very high	94.4	Very high	59 Å²	59	67.6 Å²	67.6	27%	0.273	37%	0.368	S	S	.	.	H	α-helix	trans	-96.9	-24.3	-179.4	-64.2	-60.1	0	0	0	113.6	C112 K114 C115 H128 L129 F130	C112-H132 PolarHBondContact SG-NE2 3.46Å; K114-H132 HydrophobicContact CD-CB 3.5Å; K114-H132 VanDerWaalsContact CD-CB 3.5Å; C115-H132 PolarHBondContact SG-NE2 3.23Å; H128-H132 AromaticContact CE1-NE2 3.55Å; H128-H132 AromaticContact NE2-CD2 3.85Å; H128-H132 AromaticContact NE2-NE2 3.26Å; H128-H132 PolarHBondContact NE2-NE2 3.4Å; L129-H132 PolarHBondContact O-N 2.97Å; F130-H132 VanDerWaalsContact C-N 3.27Å
133	T	92.6	Very high	94.2	Very high	72 Å²	72	71.4 Å²	71.4	44%	0.442	39%	0.389	S	S	.	.	H	α-helix	trans	-98.4	-10.2	179.2	62.5	0	0	0	0	113	L129 V135	L129-T133 PolarHBondContact O-N 3.04Å; T133-V135 PolarHBondContact O-N 3.18Å; T133-V135 WeakPolarHBondContact OG1-CB 3.48Å; T133-V135 WeakPolarHBondContact OG1-CG2 3.2Å; T133-V135 PolarHBondContact OG1-N 2.87Å
134	N	85.8	Confident	94	Very high	121 Å²	121	72.6 Å²	72.6	65%	0.647	41%	0.41	S	S	*	.			trans	54.6	10.7	-169.5	-66.5	-46.4	0	0	0	114.9	F130 K136	F130-N134 PolarHBondContact O-N 2.95Å; N134-K136 PolarHBondContact O-N 3.41Å
135	V	93.2	Very high	94	Very high	73 Å²	73	70.5 Å²	70.5	44%	0.442	40%	0.4	S	S	.	.			trans	-67	128.8	174.3	174.1	0	0	0	0	109	F130 T133	F130-V135 WeakPolarHBondContact CB-O 3.5Å; F130-V135 HydrophobicContact CD1-CB 3.91Å; F130-V135 HydrophobicContact CD1-CG1 4.09Å; F130-V135 HydrophobicContact CE1-CB 4.33Å; F130-V135 HydrophobicContact CE1-CG1 4.04Å; T133-V135 PolarHBondContact O-N 3.18Å; T133-V135 WeakPolarHBondContact OG1-CB 3.48Å; T133-V135 WeakPolarHBondContact OG1-CG2 3.2Å; T133-V135 PolarHBondContact OG1-N 2.87Å
136	K	93.9	Very high	93.9	Very high	101 Å²	101	74.8 Å²	74.8	44%	0.439	43%	0.432	S	S	.	.			trans	-122.7	84.7	177.9	-72.2	176.2	-176.9	175.5	0	108.1	N134 F138 V148 F149	N134-K136 PolarHBondContact O-N 3.41Å; K136-F138 PolarHBondContact O-N 2.93Å; K136-F138 VanDerWaalsContact O-N 3.12Å; K136-V148 HydrophobicContact CB-CB 4.01Å; K136-V148 HydrophobicContact CB-CG2 3.74Å; K136-V148 HydrophobicContact CD-CG2 3.7Å; K136-V148 HydrophobicContact CG-CG2 4.38Å; K136-F149 CarbonylContact C-O 3.27Å; K136-F149 WeakPolarHBondContact CA-O 3.31Å
137	P	93.9	Very high	94	Very high	56 Å²	56	74.3 Å²	74.3	36%	0.364	43%	0.43	S	S	.	.			trans	-73.3	-7.4	-164.5	30.1	-35.4	0	0	0	114	F130 F149	F130-P137 HydrophobicContact CE1-CG 4.25Å; F130-P137 HydrophobicContact CE2-CG 4.06Å; F130-P137 HydrophobicContact CZ-CG 3.84Å; P137-F149 WeakPolarHBondContact CD-O 3.49Å
138	F	95.7	Very high	94.1	Very high	69 Å²	69	74.7 Å²	74.7	30%	0.303	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	103.9	-174.7	-56.3	-69.6	0	0	0	110.5	K136 V148 F149 R150 T152 L155	K136-F138 PolarHBondContact O-N 2.93Å; K136-F138 VanDerWaalsContact O-N 3.12Å; F138-V148 CarbonylContact O-C 3.53Å; F138-V148 WeakPolarHBondContact O-CA 3.21Å; F138-F149 HydrophobicContact CB-CB 4.27Å; F138-F149 PolarHBondContact N-O 3.17Å; F138-F149 VanDerWaalsContact N-O 3.16Å; F138-F149 PolarHBondContact O-N 3.26Å; F138-R150 WeakPolarHBondContact CD2-O 3.38Å; F138-R150 VanDerWaalsContact CE2-O 3.28Å; F138-R150 WeakPolarHBondContact CE2-O 3.46Å; F138-T152 WeakPolarHBondContact CE1-OG1 3.42Å; F138-T152 WeakPolarHBondContact CZ-OG1 3.49Å; F138-L155 HydrophobicContact CB-CB 4.3Å; F138-L155 HydrophobicContact CB-CD2 3.92Å
139	N	96.4	Very high	94.1	Very high	105 Å²	105	75.4 Å²	75.4	56%	0.561	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	148.6	176.8	-56.3	-66.4	0	0	0	111.1	V148	N139-V148 HydrophobicContact CB-CG1 4.5Å; N139-V148 WeakPolarHBondContact OD1-CG1 3.46Å
140	C	96.5	Very high	94.1	Very high	12 Å²	12	76 Å²	76	8%	0.081	43%	0.433	C	S	.	.			trans	-63.2	129.9	166.9	-170.5	0	0	0	0	109.9	L142 C145 K147 L155 H158 H162	C140-L142 VanDerWaalsContact C-N 3.26Å; C140-L142 PolarHBondContact O-N 3.46Å; C140-C145 HydrophobicContact CB-CB 4.05Å; C140-K147 WeakPolarHBondContact CB-O 3.39Å; C140-K147 PolarHBondContact N-O 2.87Å; C140-L155 HydrophobicContact CB-CD1 4.37Å; C140-H158 VanDerWaalsContact SG-CD2 3.58Å; C140-H158 PolarHBondContact SG-NE2 3.38Å; C140-H162 PolarHBondContact SG-NE2 2.76Å
141	P	94	Very high	94.1	Very high	102 Å²	102	78.7 Å²	78.7	66%	0.662	44%	0.441	S	S	*	.			trans	-78.4	-7.5	178.9	32.2	-36.6	0	0	0	113.5	V159	P141-V159 HydrophobicContact CG-CG2 4.24Å
142	L	92.9	Very high	94.2	Very high	51 Å²	51	79.6 Å²	79.6	27%	0.267	45%	0.447	S	S	.	.	S	Bend	trans	-79.1	125.3	-178.6	-178.3	67.9	0	0	0	110.8	C140 G144 C145 H162	C140-L142 VanDerWaalsContact C-N 3.26Å; C140-L142 PolarHBondContact O-N 3.46Å; L142-G144 PolarHBondContact O-N 3.47Å; L142-C145 HydrophobicContact CB-CB 4.16Å; L142-C145 WeakPolarHBondContact O-CB 3.39Å; L142-C145 PolarHBondContact O-N 3.17Å; L142-H162 HydrophobicContact CD2-CB 3.89Å; L142-H162 VanDerWaalsContact CD2-CG 3.42Å; L142-H162 WeakPolarHBondContact CD2-ND1 3.39Å
143	T	92	Very high	94.1	Very high	140 Å²	140	79.1 Å²	79.1	86%	0.859	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	130.9	172.8	-31.7	0	0	0	0	110.8	C145	T143-C145 VanDerWaalsContact C-N 3.33Å
144	G	91.5	Very high	94.3	Very high	80 Å²	80	77 Å²	77	83%	0.825	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	-8	-174.8	0	0	0	0	0	114.9	L142	L142-G144 PolarHBondContact O-N 3.47Å
145	C	94.7	Very high	94.9	Very high	24 Å²	24	72.3 Å²	72.3	16%	0.162	41%	0.411	C	S	.	.			trans	-101.5	103.8	175.7	-168.1	0	0	0	0	112.5	C140 L142 T143 K147 H158 H162	C140-C145 HydrophobicContact CB-CB 4.05Å; L142-C145 HydrophobicContact CB-CB 4.16Å; L142-C145 WeakPolarHBondContact O-CB 3.39Å; L142-C145 PolarHBondContact O-N 3.17Å; T143-C145 VanDerWaalsContact C-N 3.33Å; C145-K147 PolarHBondContact O-N 2.95Å; C145-H158 VanDerWaalsContact SG-CE1 3.55Å; C145-H158 PolarHBondContact SG-NE2 3.36Å; C145-H162 PolarHBondContact SG-NE2 2.97Å; C145-H162 VanDerWaalsContact SG-NE2 3.39Å
146	S	94.9	Very high	95	Very high	117 Å²	117	77.3 Å²	77.3	82%	0.818	42%	0.421	S	S	*	.			trans	-84.1	16.8	179.7	-46.2	0	0	0	0	114.4
147	K	96.3	Very high	95.1	Very high	133 Å²	133	80.7 Å²	80.7	58%	0.578	43%	0.431	S	S	*	.			trans	-78.4	132.2	-177.4	-65.6	-67.5	-174.1	-176.2	0	110.8	C140 C145 F149	C140-K147 WeakPolarHBondContact CB-O 3.39Å; C140-K147 PolarHBondContact N-O 2.87Å; C145-K147 PolarHBondContact O-N 2.95Å; K147-F149 HydrophobicContact CB-CE2 3.77Å; K147-F149 HydrophobicContact CB-CZ 3.76Å
148	V	96.5	Very high	95.2	Very high	57 Å²	57	79.3 Å²	79.3	35%	0.345	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	147.3	-179.7	-55.3	0	0	0	0	111.2	K136 F138 N139	K136-V148 HydrophobicContact CB-CB 4.01Å; K136-V148 HydrophobicContact CB-CG2 3.74Å; K136-V148 HydrophobicContact CD-CG2 3.7Å; K136-V148 HydrophobicContact CG-CG2 4.38Å; F138-V148 CarbonylContact O-C 3.53Å; F138-V148 WeakPolarHBondContact O-CA 3.21Å; N139-V148 HydrophobicContact CB-CG1 4.5Å; N139-V148 WeakPolarHBondContact OD1-CG1 3.46Å
149	F	96.2	Very high	95.1	Very high	37 Å²	37	77.9 Å²	77.9	16%	0.162	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	148.8	-168.8	-58.6	-86.9	0	0	0	112.8	K136 P137 F138 K147 D154 L155 H158	K136-F149 CarbonylContact C-O 3.27Å; K136-F149 WeakPolarHBondContact CA-O 3.31Å; P137-F149 WeakPolarHBondContact CD-O 3.49Å; F138-F149 HydrophobicContact CB-CB 4.27Å; F138-F149 PolarHBondContact N-O 3.17Å; F138-F149 VanDerWaalsContact N-O 3.16Å; F138-F149 PolarHBondContact O-N 3.26Å; K147-F149 HydrophobicContact CB-CE2 3.77Å; K147-F149 HydrophobicContact CB-CZ 3.76Å; F149-D154 HydrophobicContact CB-CB 4.26Å; F149-D154 HydrophobicContact CD1-CB 3.72Å; F149-D154 HydrophobicContact CG-CB 4.32Å; F149-L155 HydrophobicContact CB-CB 4.11Å; F149-L155 HydrophobicContact CD2-CB 3.8Å; F149-L155 HydrophobicContact CD2-CD1 3.71Å; F149-L155 HydrophobicContact CD2-CG 4.36Å; F149-L155 HydrophobicContact CE2-CD1 3.91Å; F149-L155 HydrophobicContact CG-CB 4.02Å; F149-H158 HydrophobicContact CE1-CB 3.71Å; F149-H158 HydrophobicContact CE2-CB 3.83Å; F149-H158 AromaticContact CE2-CD2 3.39Å; F149-H158 WeakPolarHBondContact CE2-CD2 3.49Å; F149-H158 AromaticContact CE2-CG 3.64Å; F149-H158 HydrophobicContact CZ-CB 3.22Å; F149-H158 AromaticContact CZ-CD2 3.42Å; F149-H158 VanDerWaalsContact CZ-CD2 3.42Å; F149-H158 WeakPolarHBondContact CZ-CD2 3.29Å; F149-H158 AromaticContact CZ-CG 3.15Å; F149-H158 AromaticContact CZ-ND1 3.76Å
150	R	94.2	Very high	95	Very high	77 Å²	77	75 Å²	75	29%	0.291	41%	0.408	S	S	.	.	S	Bend	trans	-77.4	-32.3	174.6	-175.7	178.7	-63.2	137.7	0.5	112.6	F130 T131 F138	F130-R150 HydrophobicContact CB-CG 3.5Å; F130-R150 HydrophobicContact CD2-CG 3.96Å; F130-R150 HydrophobicContact CG-CG 4.13Å; F130-R150 PolarHBondContact O-NE 3.41Å; T131-R150 VanDerWaalsContact CG2-CZ 3.5Å; T131-R150 VanDerWaalsContact CG2-NH1 3.33Å; F138-R150 WeakPolarHBondContact CD2-O 3.38Å; F138-R150 VanDerWaalsContact CE2-O 3.28Å; F138-R150 WeakPolarHBondContact CE2-O 3.46Å
151	R	95.3	Very high	94.8	Very high	117 Å²	117	78 Å²	78	44%	0.442	42%	0.422	S	S	.	.	S	Bend	trans	-128.3	146.9	-177.1	-47.7	-177.6	-64.4	170.1	3.9	111.1	T127 C153 D154 L155	T127-R151 HydrophobicContact CG2-CG 3.66Å; R151-C153 VanDerWaalsContact C-N 3.25Å; R151-C153 PolarHBondContact NE-SG 3.34Å; R151-C153 PolarHBondContact O-N 2.82Å; R151-D154 VanDerWaalsContact CB-OD2 3.27Å; R151-D154 WeakPolarHBondContact CB-OD2 3.23Å; R151-D154 WeakPolarHBondContact CG-OD2 3.49Å; R151-D154 IonicContact CZ-OD1 2.72Å; R151-D154 IonicContact CZ-OD2 3.47Å; R151-D154 IonicContact NE-OD1 3.48Å; R151-D154 IonicContact NE-OD2 3.63Å; R151-D154 PolarHBondContact NE-OD2 3.31Å; R151-D154 IonicContact NH2-OD1 3.58Å; R151-D154 PolarHBondContact NH2-OD1 3.42Å; R151-D154 IonicContact NH2-OD2 3.31Å; R151-D154 PolarHBondContact O-N 3.48Å; R151-D154 VanDerWaalsContact O-N 3.11Å; R151-L155 PolarHBondContact O-N 3Å; R151-L155 VanDerWaalsContact O-N 3.16Å
152	T	95.4	Very high	94.6	Very high	69 Å²	69	75 Å²	75	42%	0.423	40%	0.399	S	S	.	.	H	α-helix	trans	-61.8	-30	176	-43.8	0	0	0	0	113	F138 R156	F138-T152 WeakPolarHBondContact CE1-OG1 3.42Å; F138-T152 WeakPolarHBondContact CZ-OG1 3.49Å; T152-R156 WeakPolarHBondContact O-CB 3.23Å; T152-R156 WeakPolarHBondContact O-CG 3.39Å; T152-R156 PolarHBondContact O-N 2.72Å
153	C	95.1	Very high	94.1	Very high	49 Å²	49	80.4 Å²	80.4	33%	0.331	42%	0.421	S	S	.	.	H	α-helix	trans	-67	-37.5	175	58.9	0	0	0	0	112.4	R151 R156 R157	R151-C153 VanDerWaalsContact C-N 3.25Å; R151-C153 PolarHBondContact NE-SG 3.34Å; R151-C153 PolarHBondContact O-N 2.82Å; C153-R156 PolarHBondContact O-N 2.84Å; C153-R157 WeakPolarHBondContact O-CB 3.31Å; C153-R157 PolarHBondContact O-N 3.09Å
154	D	96.4	Very high	93.3	Very high	26 Å²	26	80.7 Å²	80.7	14%	0.139	41%	0.412	C	S	.	.	H	α-helix	trans	-68.5	-41.9	178.1	-53.6	-39.9	0	0	0	109.8	F149 R151 R157 H158	F149-D154 HydrophobicContact CB-CB 4.26Å; F149-D154 HydrophobicContact CD1-CB 3.72Å; F149-D154 HydrophobicContact CG-CB 4.32Å; R151-D154 VanDerWaalsContact CB-OD2 3.27Å; R151-D154 WeakPolarHBondContact CB-OD2 3.23Å; R151-D154 WeakPolarHBondContact CG-OD2 3.49Å; R151-D154 IonicContact CZ-OD1 2.72Å; R151-D154 IonicContact CZ-OD2 3.47Å; R151-D154 IonicContact NE-OD1 3.48Å; R151-D154 IonicContact NE-OD2 3.63Å; R151-D154 PolarHBondContact NE-OD2 3.31Å; R151-D154 IonicContact NH2-OD1 3.58Å; R151-D154 PolarHBondContact NH2-OD1 3.42Å; R151-D154 IonicContact NH2-OD2 3.31Å; R151-D154 PolarHBondContact O-N 3.48Å; R151-D154 VanDerWaalsContact O-N 3.11Å; D154-R157 PolarHBondContact O-N 3.17Å; D154-R157 IonicContact OD1-NH2 3.56Å; D154-H158 WeakPolarHBondContact O-CB 3.29Å; D154-H158 PolarHBondContact O-N 3.31Å
155	L	97	Very high	92	Very high	24 Å²	24	82.8 Å²	82.8	13%	0.126	40%	0.404	C	S	.	.	H	α-helix	trans	-59.2	-49.8	171.2	171.7	61.5	0	0	0	111.9	F138 C140 F149 R151 R157 H158 V159	F138-L155 HydrophobicContact CB-CB 4.3Å; F138-L155 HydrophobicContact CB-CD2 3.92Å; C140-L155 HydrophobicContact CB-CD1 4.37Å; F149-L155 HydrophobicContact CB-CB 4.11Å; F149-L155 HydrophobicContact CD2-CB 3.8Å; F149-L155 HydrophobicContact CD2-CD1 3.71Å; F149-L155 HydrophobicContact CD2-CG 4.36Å; F149-L155 HydrophobicContact CE2-CD1 3.91Å; F149-L155 HydrophobicContact CG-CB 4.02Å; R151-L155 PolarHBondContact O-N 3Å; R151-L155 VanDerWaalsContact O-N 3.16Å; L155-R157 VanDerWaalsContact C-N 3.33Å; L155-R157 PolarHBondContact O-N 3.28Å; L155-H158 WeakPolarHBondContact O-CB 3.39Å; L155-H158 PolarHBondContact O-N 3.27Å; L155-H158 VanDerWaalsContact O-N 3.11Å; L155-V159 HydrophobicContact CD1-CG2 3.68Å; L155-V159 HydrophobicContact CG-CG2 4.26Å; L155-V159 WeakPolarHBondContact O-CG2 3.24Å; L155-V159 PolarHBondContact O-N 3.27Å
156	R	95.5	Very high	90.2	Very high	178 Å²	178	88 Å²	88	67%	0.672	42%	0.424	S	S	*	.	H	α-helix	trans	-58.9	-43.7	-179.7	-79.3	-170.5	-65.1	157.6	-0.9	112.2	T152 C153 H158 V159 A160	T152-R156 WeakPolarHBondContact O-CB 3.23Å; T152-R156 WeakPolarHBondContact O-CG 3.39Å; T152-R156 PolarHBondContact O-N 2.72Å; C153-R156 PolarHBondContact O-N 2.84Å; R156-H158 VanDerWaalsContact C-N 3.33Å; R156-V159 PolarHBondContact O-N 2.75Å; R156-A160 PolarHBondContact O-N 3.36Å; R156-A160 VanDerWaalsContact O-N 3.12Å
157	R	95.9	Very high	87.4	Confident	172 Å²	172	89.8 Å²	89.8	65%	0.649	42%	0.424	S	S	*	.	H	α-helix	trans	-60.9	-44.2	174.7	177.9	177.3	59.6	-175.7	-1.7	111.1	C153 D154 L155 A160	C153-R157 WeakPolarHBondContact O-CB 3.31Å; C153-R157 PolarHBondContact O-N 3.09Å; D154-R157 PolarHBondContact O-N 3.17Å; D154-R157 IonicContact OD1-NH2 3.56Å; L155-R157 VanDerWaalsContact C-N 3.33Å; L155-R157 PolarHBondContact O-N 3.28Å; R157-A160 WeakPolarHBondContact O-CB 3.47Å; R157-A160 PolarHBondContact O-N 3.19Å
158	H	95.9	Very high	84.7	Confident	26 Å²	26	87.4 Å²	87.4	12%	0.12	42%	0.422	C	S	.	.	H	α-helix	trans	-62.5	-45.9	176.8	167.2	70.5	0	0	0	112.8	C140 C145 F149 D154 L155 R156 A160 I161 H162	C140-H158 VanDerWaalsContact SG-CD2 3.58Å; C140-H158 PolarHBondContact SG-NE2 3.38Å; C145-H158 VanDerWaalsContact SG-CE1 3.55Å; C145-H158 PolarHBondContact SG-NE2 3.36Å; F149-H158 HydrophobicContact CE1-CB 3.71Å; F149-H158 HydrophobicContact CE2-CB 3.83Å; F149-H158 AromaticContact CE2-CD2 3.39Å; F149-H158 WeakPolarHBondContact CE2-CD2 3.49Å; F149-H158 AromaticContact CE2-CG 3.64Å; F149-H158 HydrophobicContact CZ-CB 3.22Å; F149-H158 AromaticContact CZ-CD2 3.42Å; F149-H158 VanDerWaalsContact CZ-CD2 3.42Å; F149-H158 WeakPolarHBondContact CZ-CD2 3.29Å; F149-H158 AromaticContact CZ-CG 3.15Å; F149-H158 AromaticContact CZ-ND1 3.76Å; D154-H158 WeakPolarHBondContact O-CB 3.29Å; D154-H158 PolarHBondContact O-N 3.31Å; L155-H158 WeakPolarHBondContact O-CB 3.39Å; L155-H158 PolarHBondContact O-N 3.27Å; L155-H158 VanDerWaalsContact O-N 3.11Å; R156-H158 VanDerWaalsContact C-N 3.33Å; H158-A160 PolarHBondContact O-N 3.17Å; H158-I161 VanDerWaalsContact O-CB 3.3Å; H158-I161 WeakPolarHBondContact O-CB 3.11Å; H158-I161 PolarHBondContact O-N 3.26Å; H158-H162 AromaticContact CD2-NE2 3.82Å; H158-H162 AromaticContact CE1-CE1 3.75Å; H158-H162 AromaticContact CE1-NE2 3.27Å; H158-H162 PolarHBondContact CE1-NE2 3.29Å; H158-H162 VanDerWaalsContact CE1-NE2 3.27Å; H158-H162 AromaticContact NE2-CD2 3.82Å; H158-H162 AromaticContact NE2-CE1 3.85Å; H158-H162 AromaticContact NE2-NE2 2.96Å; H158-H162 PolarHBondContact NE2-NE2 2.76Å
159	V	94.4	Very high	82.1	Confident	40 Å²	40	92.1 Å²	92.1	24%	0.242	44%	0.444	C	S	.	.	H	α-helix	trans	-62.3	-28.9	178.7	172.6	0	0	0	0	111.9	P141 L155 R156 I161 H162	P141-V159 HydrophobicContact CG-CG2 4.24Å; L155-V159 HydrophobicContact CD1-CG2 3.68Å; L155-V159 HydrophobicContact CG-CG2 4.26Å; L155-V159 WeakPolarHBondContact O-CG2 3.24Å; L155-V159 PolarHBondContact O-N 3.27Å; R156-V159 PolarHBondContact O-N 2.75Å; V159-I161 VanDerWaalsContact C-N 3.26Å; V159-I161 PolarHBondContact O-N 3.07Å; V159-H162 PolarHBondContact O-N 3.41Å
160	A	94.1	Very high	79.3	Confident	44 Å²	44	97.3 Å²	97.3	36%	0.364	47%	0.472	S	S	.	.	H	α-helix	trans	-63	-31.5	174.1	0	0	0	0	0	112.9	R156 R157 H158 H162 K163 Q164	R156-A160 PolarHBondContact O-N 3.36Å; R156-A160 VanDerWaalsContact O-N 3.12Å; R157-A160 WeakPolarHBondContact O-CB 3.47Å; R157-A160 PolarHBondContact O-N 3.19Å; H158-A160 PolarHBondContact O-N 3.17Å; A160-H162 VanDerWaalsContact C-N 3.32Å; A160-H162 PolarHBondContact O-N 2.85Å; A160-K163 PolarHBondContact O-N 2.86Å; A160-Q164 PolarHBondContact O-N 2.89Å
161	I	92.4	Very high	76.6	Confident	75 Å²	75	101.3 Å²	101.3	39%	0.385	50%	0.499	S	S	.	.	H	α-helix	trans	-64.5	-39.2	177	-57.9	169.9	0	0	0	110.5	H158 V159 K163 Q164 N165	H158-I161 VanDerWaalsContact O-CB 3.3Å; H158-I161 WeakPolarHBondContact O-CB 3.11Å; H158-I161 PolarHBondContact O-N 3.26Å; V159-I161 VanDerWaalsContact C-N 3.26Å; V159-I161 PolarHBondContact O-N 3.07Å; I161-K163 PolarHBondContact O-N 3.39Å; I161-Q164 PolarHBondContact O-N 3.24Å; I161-Q164 VanDerWaalsContact O-N 3.15Å; I161-N165 PolarHBondContact O-N 3.37Å
162	H	90	Very high	73.8	Confident	38 Å²	38	104.6 Å²	104.6	18%	0.176	52%	0.519	C	S	.	.	H	α-helix	trans	-62.9	-29.2	176.5	-65.2	-47	0	0	0	113	C140 L142 C145 H158 V159 A160 K166	C140-H162 PolarHBondContact SG-NE2 2.76Å; L142-H162 HydrophobicContact CD2-CB 3.89Å; L142-H162 VanDerWaalsContact CD2-CG 3.42Å; L142-H162 WeakPolarHBondContact CD2-ND1 3.39Å; C145-H162 PolarHBondContact SG-NE2 2.97Å; C145-H162 VanDerWaalsContact SG-NE2 3.39Å; H158-H162 AromaticContact CD2-NE2 3.82Å; H158-H162 AromaticContact CE1-CE1 3.75Å; H158-H162 AromaticContact CE1-NE2 3.27Å; H158-H162 PolarHBondContact CE1-NE2 3.29Å; H158-H162 VanDerWaalsContact CE1-NE2 3.27Å; H158-H162 AromaticContact NE2-CD2 3.82Å; H158-H162 AromaticContact NE2-CE1 3.85Å; H158-H162 AromaticContact NE2-NE2 2.96Å; H158-H162 PolarHBondContact NE2-NE2 2.76Å; V159-H162 PolarHBondContact O-N 3.41Å; A160-H162 VanDerWaalsContact C-N 3.32Å; A160-H162 PolarHBondContact O-N 2.85Å; H162-K166 WeakPolarHBondContact O-CB 3.24Å; H162-K166 WeakPolarHBondContact O-CG 3.17Å; H162-K166 PolarHBondContact O-N 3.04Å
163	K	82.6	Confident	71.3	Confident	166 Å²	166	105.5 Å²	105.5	72%	0.722	53%	0.533	S	S	*	.	H	α-helix	trans	-75.2	-37.1	175.5	-64.4	-172.2	175.2	-167.7	0	111.9	A160 I161	A160-K163 PolarHBondContact O-N 2.86Å; I161-K163 PolarHBondContact O-N 3.39Å
164	Q	74.5	Confident	69	Low	145 Å²	145	111 Å²	111	68%	0.678	56%	0.56	S	S	*	*	H	α-helix	trans	-69.9	-37.9	177.6	-69.2	174.3	-13.4	0	0	111.6	A160 I161	A160-Q164 PolarHBondContact O-N 2.89Å; I161-Q164 PolarHBondContact O-N 3.24Å; I161-Q164 VanDerWaalsContact O-N 3.15Å
165	N	63.9	Low	66.9	Low	125 Å²	125	121.1 Å²	121.1	67%	0.668	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-6.6	-179.4	-64.9	-4.1	0	0	0	114	I161	I161-N165 PolarHBondContact O-N 3.37Å
166	K	57.2	Low	64.5	Low	134 Å²	134	128.3 Å²	128.3	58%	0.583	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	12	176.2	-85	-172.5	172.8	-162.2	0	113.6	H162 P168	H162-K166 WeakPolarHBondContact O-CB 3.24Å; H162-K166 WeakPolarHBondContact O-CG 3.17Å; H162-K166 PolarHBondContact O-N 3.04Å; K166-P168 WeakPolarHBondContact O-CD 3.09Å; K166-P168 WeakPolarHBondContact O-CG 3.48Å
167	L	35.9	Very low	62	Low	154 Å²	154	129.1 Å²	129.1	81%	0.806	64%	0.64	S	S	*	*	S	Bend	trans	-72	103.2	164	-156.2	75.1	0	0	0	106.6
168	P	40.1	Very low	59.6	Low	83 Å²	83	129.7 Å²	129.7	54%	0.539	65%	0.653	S	S	.	*			trans	-77.2	133.5	-172.1	-2.9	22.6	0	0	0	108.5	K166 L170	K166-P168 WeakPolarHBondContact O-CD 3.09Å; K166-P168 WeakPolarHBondContact O-CG 3.48Å; P168-L170 VanDerWaalsContact C-N 3.27Å; P168-L170 HydrophobicContact CB-CG 4.23Å; P168-L170 PolarHBondContact O-N 3.32Å
169	I	42.2	Very low	57.6	Low	156 Å²	156	138.1 Å²	138.1	80%	0.8	69%	0.689	S	S	*	*			trans	-28.7	92.8	143.6	-4.4	173.8	0	0	0	109.1
170	L	37.6	Very low	55.5	Low	146 Å²	146	148 Å²	148	76%	0.764	74%	0.74	S	S	*	*			trans	-130.1	52.2	173	-74	-179.5	0	0	0	107.6	P168	P168-L170 VanDerWaalsContact C-N 3.27Å; P168-L170 HydrophobicContact CB-CG 4.23Å; P168-L170 PolarHBondContact O-N 3.32Å
171	L	37.6	Very low	53.6	Low	161 Å²	161	153.2 Å²	153.2	84%	0.843	76%	0.759	S	S	*	*	S	Bend	trans	-155.4	59.6	173.3	-73.9	180	0	0	0	108.9
172	E	35.7	Very low	51.6	Low	185 Å²	185	157.3 Å²	157.3	86%	0.864	78%	0.778	S	S	*	*	S	Bend	trans	-170.7	75.4	171.4	-104.6	152	-150.7	0	0	109.7
173	A	42.9	Very low	49.4	Very low	88 Å²	88	163.9 Å²	163.9	73%	0.727	81%	0.812	S	S	*	*	S	Bend	trans	-160.6	-20.3	163	0	0	0	0	0	115.3	R175	A173-R175 PolarHBondContact O-N 2.98Å
174	D	46.2	Very low	47.5	Very low	166 Å²	166	163.8 Å²	163.8	89%	0.888	82%	0.817	S	S	*	*			trans	-97.1	60.1	-175.6	-61.3	-28.7	0	0	0	113.7
175	R	53.8	Low	45.8	Very low	238 Å²	238	164.9 Å²	164.9	90%	0.898	83%	0.826	S	S	*	*			trans	-133.8	25.7	171.1	-88.4	-166.3	-160.6	-115.9	3.4	114.9	A173	A173-R175 PolarHBondContact O-N 2.98Å
176	Q	46.6	Very low	44.6	Very low	175 Å²	175	167.6 Å²	167.6	82%	0.818	84%	0.837	S	S	*	*			trans	-113.4	97	159.1	-105	88.8	-9.5	0	0	107.3
177	E	43.4	Very low	43.7	Very low	194 Å²	194	170 Å²	170	91%	0.907	86%	0.855	S	S	*	*	S	Bend	trans	165.6	83.9	154	-94.5	176.6	-162.9	0	0	108.8
178	M	44	Very low	44.3	Very low	185 Å²	185	171.2 Å²	171.2	91%	0.911	86%	0.858	S	S	*	*			trans	164.9	90.8	157.6	-100.2	176.7	31.8	0	0	108.3
179	K	53.7	Low	44.6	Very low	202 Å²	202	178.6 Å²	178.6	88%	0.878	89%	0.885	S	S	*	*			trans	171.6	80.2	154.4	-95.9	166.4	-171	-168.1	0	108.3
180	D	51.8	Low	44.8	Very low	247 Å²	247	180.6 Å²	180.6	100%	1.321	89%	0.893	S	S	*	*			trans	-146.6	0	145	-81.6	-36	0	0	0	106.6

Retrieved 180 of 180 residues in 132.6 ms (Link to these results)

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