X6RFN3_HUMAN Loading...

E3 ubiquitin-protein ligase RING2

AlphaFold DB , UniProt , Accession X6RFN3, Species HUMAN (Homo sapiens, Human), Gene RNF2, Length 245 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	37	Very low	51.9	Low	237 Å²	237	138.5 Å²	138.5	100%	1.167	80%	0.804	S	S	*	*				0	86.5	0	-72.6	165.7	171.2	0	0	107.7	Q3	M1-Q3 PolarHBondContact O-N 3.03Å
2	S	36.5	Very low	55.1	Low	127 Å²	127	133.3 Å²	133.3	89%	0.888	78%	0.779	S	S	*	*			trans	-86.4	109.1	178.2	-56.9	0	0	0	0	107.4	A4	S2-A4 PolarHBondContact O-N 2.86Å
3	Q	39.9	Very low	57.7	Low	187 Å²	187	133.3 Å²	133.3	87%	0.874	77%	0.773	S	S	*	*			trans	-67	114.1	178.4	-67.5	-177	19.8	0	0	108.9	M1 V5	M1-Q3 PolarHBondContact O-N 3.03Å; Q3-V5 PolarHBondContact O-N 3.03Å
4	A	40.4	Very low	60.1	Low	92 Å²	92	131 Å²	131	76%	0.76	77%	0.768	S	S	*	*			trans	-68.3	110.6	166	0	0	0	0	0	107.9	S2 Q6	S2-A4 PolarHBondContact O-N 2.86Å; A4-Q6 PolarHBondContact O-N 3.33Å; A4-Q6 VanDerWaalsContact O-N 3.16Å
5	V	46.9	Very low	62.2	Low	127 Å²	127	130.1 Å²	130.1	77%	0.77	75%	0.751	S	S	*	*			trans	-66.3	112.3	169.5	176.5	0	0	0	0	106.9	Q3 T7	Q3-V5 PolarHBondContact O-N 3.03Å; V5-T7 PolarHBondContact O-N 2.98Å
6	Q	41.2	Very low	64.2	Low	173 Å²	173	126.9 Å²	126.9	81%	0.808	73%	0.734	S	S	*	*			trans	-64.4	98.7	174.1	-68.5	170	6.9	0	0	108.6	A4 N8	A4-Q6 PolarHBondContact O-N 3.33Å; A4-Q6 VanDerWaalsContact O-N 3.16Å; Q6-N8 PolarHBondContact O-N 2.98Å
7	T	50.8	Low	66	Low	112 Å²	112	131.1 Å²	131.1	69%	0.687	74%	0.735	S	S	*	*			trans	-78.7	95.8	167.9	55.6	0	0	0	0	107.9	V5 G9	V5-T7 PolarHBondContact O-N 2.98Å; T7-G9 PolarHBondContact O-N 3.44Å; T7-G9 VanDerWaalsContact O-N 3.12Å
8	N	51.6	Low	67.7	Low	150 Å²	150	130.2 Å²	130.2	80%	0.802	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.4	116.6	170.7	-82.5	-42.3	0	0	0	110.2	Q6 T10	Q6-N8 PolarHBondContact O-N 2.98Å; N8-T10 PolarHBondContact O-N 3.39Å
9	G	61.5	Low	69.2	Low	76 Å²	76	128.6 Å²	128.6	78%	0.784	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	81.6	8.2	151	0	0	0	0	0	120	T7	T7-G9 PolarHBondContact O-N 3.44Å; T7-G9 VanDerWaalsContact O-N 3.12Å
10	T	77.1	Confident	70.6	Confident	120 Å²	120	124.8 Å²	124.8	74%	0.736	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-86	116.2	175.8	-53.7	0	0	0	0	110.6	N8	N8-T10 PolarHBondContact O-N 3.39Å
11	Q	87.8	Confident	71.9	Confident	122 Å²	122	126.2 Å²	126.2	57%	0.57	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-65.5	151.8	175.4	-67.4	-66	-21.7	0	0	111.1
12	P	91	Very high	74.8	Confident	77 Å²	77	121.4 Å²	121.4	50%	0.5	67%	0.672	S	S	.	*	P	Polyproline II helix	trans	-56	144.9	171.4	-23.1	33.1	0	0	0	111.5	S14 K15 T16	P12-S14 PolarHBondContact O-N 2.95Å; P12-K15 HydrophobicContact CB-CB 4.46Å; P12-K15 WeakPolarHBondContact O-CA 3.46Å; P12-K15 WeakPolarHBondContact O-CB 3.43Å; P12-K15 PolarHBondContact O-N 3.48Å; P12-T16 PolarHBondContact O-N 3.26Å; P12-T16 PolarHBondContact O-OG1 3.49Å
13	L	88.9	Confident	77.7	Confident	133 Å²	133	119.5 Å²	119.5	70%	0.696	65%	0.648	S	S	*	*	H	α-helix	trans	-56.7	-37.1	-177.7	-170.1	67.8	0	0	0	112.4	K15 T16 W17	L13-K15 VanDerWaalsContact C-N 3.27Å; L13-K15 PolarHBondContact O-N 3.44Å; L13-T16 PolarHBondContact O-N 3.42Å; L13-W17 VanDerWaalsContact CD1-NE1 3.31Å; L13-W17 VanDerWaalsContact O-CD1 3.25Å; L13-W17 PolarHBondContact O-N 3.25Å
14	S	90.6	Very high	80.5	Confident	101 Å²	101	116.1 Å²	116.1	71%	0.706	64%	0.636	S	S	*	*	H	α-helix	trans	-61.3	-35.3	174.9	52.2	0	0	0	0	112.6	P12 E18	P12-S14 PolarHBondContact O-N 2.95Å; S14-E18 WeakPolarHBondContact O-CB 3.36Å; S14-E18 PolarHBondContact O-N 2.93Å
15	K	92.4	Very high	83.2	Confident	117 Å²	117	117.5 Å²	117.5	51%	0.509	63%	0.627	S	S	.	*	H	α-helix	trans	-78.9	-36.8	179.1	-172.2	64.2	-171.7	171.5	0	112.2	P12 L13 W17 E18	P12-K15 HydrophobicContact CB-CB 4.46Å; P12-K15 WeakPolarHBondContact O-CA 3.46Å; P12-K15 WeakPolarHBondContact O-CB 3.43Å; P12-K15 PolarHBondContact O-N 3.48Å; L13-K15 VanDerWaalsContact C-N 3.27Å; L13-K15 PolarHBondContact O-N 3.44Å; K15-W17 VanDerWaalsContact C-N 3.26Å; K15-W17 PolarHBondContact O-N 2.92Å; K15-E18 VanDerWaalsContact CD-OE2 3.25Å; K15-E18 WeakPolarHBondContact CD-OE2 3.46Å; K15-E18 WeakPolarHBondContact CE-OE2 3.41Å; K15-E18 IonicContact NZ-OE2 2.67Å; K15-E18 PolarHBondContact NZ-OE2 2.94Å; K15-E18 PolarHBondContact O-N 3.33Å
16	T	93.9	Very high	85.6	Confident	80 Å²	80	118.1 Å²	118.1	49%	0.491	62%	0.615	S	S	.	*	H	α-helix	trans	-62	-33.5	178.6	-59.6	0	0	0	0	112.9	P12 L13	P12-T16 PolarHBondContact O-N 3.26Å; P12-T16 PolarHBondContact O-OG1 3.49Å; L13-T16 PolarHBondContact O-N 3.42Å
17	W	94.9	Very high	88.3	Confident	197 Å²	197	114.8 Å²	114.8	75%	0.746	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	12.3	-178.5	-56.3	109.5	0	0	0	113.4	L13 K15 L19	L13-W17 VanDerWaalsContact CD1-NE1 3.31Å; L13-W17 VanDerWaalsContact O-CD1 3.25Å; L13-W17 PolarHBondContact O-N 3.25Å; K15-W17 VanDerWaalsContact C-N 3.26Å; K15-W17 PolarHBondContact O-N 2.92Å; W17-L19 PolarHBondContact O-N 3.34Å
18	E	96.1	Very high	90.5	Very high	116 Å²	116	114.1 Å²	114.1	54%	0.542	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-71.3	120.8	173.1	-174.3	179.3	-159.8	0	0	109.1	S14 K15	S14-E18 WeakPolarHBondContact O-CB 3.36Å; S14-E18 PolarHBondContact O-N 2.93Å; K15-E18 VanDerWaalsContact CD-OE2 3.25Å; K15-E18 WeakPolarHBondContact CD-OE2 3.46Å; K15-E18 WeakPolarHBondContact CE-OE2 3.41Å; K15-E18 IonicContact NZ-OE2 2.67Å; K15-E18 PolarHBondContact NZ-OE2 2.94Å; K15-E18 PolarHBondContact O-N 3.33Å
19	L	97	Very high	92.6	Very high	99 Å²	99	114.3 Å²	114.3	52%	0.518	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-76.1	132.5	178.5	-58.8	-179.4	0	0	0	110.4	W17 E23 L24	W17-L19 PolarHBondContact O-N 3.34Å; L19-E23 HydrophobicContact CB-CB 4.14Å; L19-E23 HydrophobicContact CD2-CB 4.19Å; L19-L24 HydrophobicContact CB-CD2 4.02Å; L19-L24 HydrophobicContact CB-CG 4.11Å; L19-L24 HydrophobicContact CD1-CD2 3.87Å
20	S	96.6	Very high	94.2	Very high	53 Å²	53	118.5 Å²	118.5	37%	0.371	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-66.1	161.7	167.6	65.4	0	0	0	0	111.5	Y22 E23 L24	S20-Y22 PolarHBondContact O-N 3.37Å; S20-Y22 VanDerWaalsContact O-N 3.17Å; S20-E23 VanDerWaalsContact CB-OE2 3.27Å; S20-E23 WeakPolarHBondContact CB-OE2 3.46Å; S20-E23 PolarHBondContact N-OE2 2.92Å; S20-E23 PolarHBondContact O-N 3.48Å; S20-E23 WeakPolarHBondContact OG-CG 3.26Å; S20-E23 PolarHBondContact OG-N 3.5Å; S20-E23 PolarHBondContact OG-OE2 3.27Å; S20-L24 PolarHBondContact O-N 3.16Å; S20-L24 VanDerWaalsContact O-N 3.12Å
21	L	97.9	Very high	94.9	Very high	154 Å²	154	116.5 Å²	116.5	81%	0.806	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-32.1	174.7	-64.1	-179.8	0	0	0	112.5	L24 Q25	L21-L24 HydrophobicContact CD2-CD1 4.42Å; L21-Q25 WeakPolarHBondContact O-CG 3.35Å
22	Y	97.6	Very high	95.2	Very high	137 Å²	137	115.9 Å²	115.9	54%	0.537	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.3	-47.1	173.9	166.8	-105.1	0	0	0	111.8	S20 L24 Q25 R26	S20-Y22 PolarHBondContact O-N 3.37Å; S20-Y22 VanDerWaalsContact O-N 3.17Å; Y22-L24 VanDerWaalsContact C-N 3.27Å; Y22-L24 PolarHBondContact O-N 3.45Å; Y22-Q25 CarbonylContact O-C 3.59Å; Y22-Q25 PolarHBondContact O-N 3.27Å; Y22-Q25 VanDerWaalsContact O-N 3.14Å; Y22-Q25 PolarHBondContact O-NE2 3.41Å; Y22-R26 HydrophobicContact CE1-CB 4.31Å; Y22-R26 HydrophobicContact CE2-CB 4.36Å; Y22-R26 PolarHBondContact O-N 3.12Å
23	E	97.6	Very high	95.3	Very high	86 Å²	86	116.6 Å²	116.6	40%	0.402	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.6	-29.1	-177.6	-72.6	160.9	131.2	0	0	113.2	L19 S20 Q25 R26	L19-E23 HydrophobicContact CB-CB 4.14Å; L19-E23 HydrophobicContact CD2-CB 4.19Å; S20-E23 VanDerWaalsContact CB-OE2 3.27Å; S20-E23 WeakPolarHBondContact CB-OE2 3.46Å; S20-E23 PolarHBondContact N-OE2 2.92Å; S20-E23 PolarHBondContact O-N 3.48Å; S20-E23 WeakPolarHBondContact OG-CG 3.26Å; S20-E23 PolarHBondContact OG-N 3.5Å; S20-E23 PolarHBondContact OG-OE2 3.27Å; E23-Q25 PolarHBondContact O-N 3.48Å; E23-R26 WeakPolarHBondContact O-CG 3.39Å
24	L	97.8	Very high	95.3	Very high	116 Å²	116	116.3 Å²	116.3	61%	0.607	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-24.6	175.2	-72.4	172.7	0	0	0	113.6	L19 S20 L21 Y22	L19-L24 HydrophobicContact CB-CD2 4.02Å; L19-L24 HydrophobicContact CB-CG 4.11Å; L19-L24 HydrophobicContact CD1-CD2 3.87Å; S20-L24 PolarHBondContact O-N 3.16Å; S20-L24 VanDerWaalsContact O-N 3.12Å; L21-L24 HydrophobicContact CD2-CD1 4.42Å; Y22-L24 VanDerWaalsContact C-N 3.27Å; Y22-L24 PolarHBondContact O-N 3.45Å
25	Q	97.4	Very high	95.1	Very high	122 Å²	122	113.5 Å²	113.5	57%	0.57	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.4	8	-175.3	62.6	75.6	67.9	0	0	113.9	L21 Y22 E23 T27	L21-Q25 WeakPolarHBondContact O-CG 3.35Å; Y22-Q25 CarbonylContact O-C 3.59Å; Y22-Q25 PolarHBondContact O-N 3.27Å; Y22-Q25 VanDerWaalsContact O-N 3.14Å; Y22-Q25 PolarHBondContact O-NE2 3.41Å; E23-Q25 PolarHBondContact O-N 3.48Å; Q25-T27 PolarHBondContact O-N 2.97Å
26	R	97.3	Very high	95	Very high	140 Å²	140	112.5 Å²	112.5	53%	0.528	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-63.4	137.5	-177.8	68.5	-175.5	-70.8	-100.1	-2.8	110.9	Y22 E23	Y22-R26 HydrophobicContact CE1-CB 4.31Å; Y22-R26 HydrophobicContact CE2-CB 4.36Å; Y22-R26 PolarHBondContact O-N 3.12Å; E23-R26 WeakPolarHBondContact O-CG 3.39Å
27	T	97.9	Very high	94.5	Very high	102 Å²	102	113.3 Å²	113.3	63%	0.626	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-88.8	155.1	172.2	55.6	0	0	0	0	110.7	Q25	Q25-T27 PolarHBondContact O-N 2.97Å
28	P	97.9	Very high	93.9	Very high	99 Å²	99	108.3 Å²	108.3	64%	0.643	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-54.5	149.1	170.7	-25	35.5	0	0	0	112
29	Q	95.8	Very high	93.1	Very high	153 Å²	153	106.9 Å²	106.9	72%	0.715	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-94.3	118.1	169.2	-69.6	-68.1	-25.5	0	0	107.3
30	E	95.4	Very high	92.3	Very high	165 Å²	165	103.5 Å²	103.5	77%	0.771	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-66.6	141	-178.9	-62	-57.1	142.6	0	0	110.7
31	A	91.8	Very high	91.5	Very high	78 Å²	78	102.9 Å²	102.9	65%	0.645	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-72.6	142.2	178.6	0	0	0	0	0	110.6	T33	A31-T33 PolarHBondContact O-N 3.23Å
32	I	92.6	Very high	90.2	Very high	108 Å²	108	96 Å²	96	55%	0.554	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-75.1	120.5	173.9	-58	176.8	0	0	0	108.5	D34 L36	I32-D34 WeakPolarHBondContact CG2-OD1 3.42Å; I32-L36 HydrophobicContact CD1-CD2 4.21Å; I32-L36 HydrophobicContact CG2-CB 3.95Å; I32-L36 HydrophobicContact CG2-CD2 4.15Å
33	T	93.3	Very high	89.2	Confident	93 Å²	93	98.5 Å²	98.5	57%	0.571	52%	0.52	S	S	*	.			trans	-121.7	-2.2	-177.1	58.6	0	0	0	0	113.9	A31 G35	A31-T33 PolarHBondContact O-N 3.23Å; T33-G35 PolarHBondContact O-N 3.09Å; T33-G35 VanDerWaalsContact O-N 3.13Å
34	D	89.6	Confident	88.6	Confident	127 Å²	127	98 Å²	98	68%	0.679	53%	0.526	S	S	*	.	S	Bend	trans	-83.5	24.4	-170.4	62.1	-14.7	0	0	0	114.5	I32 L36	I32-D34 WeakPolarHBondContact CG2-OD1 3.42Å; D34-L36 PolarHBondContact O-N 3.44Å
35	G	86.3	Confident	88	Confident	42 Å²	42	94.7 Å²	94.7	43%	0.433	51%	0.509	S	S	.	.			trans	71.6	10.7	176.8	0	0	0	0	0	114.5	T33 E37	T33-G35 PolarHBondContact O-N 3.09Å; T33-G35 VanDerWaalsContact O-N 3.13Å; G35-E37 PolarHBondContact O-N 3.11Å; G35-E37 VanDerWaalsContact O-N 3.16Å
36	L	89.3	Confident	87.4	Confident	95 Å²	95	94 Å²	94	50%	0.497	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-53.7	118.9	179.8	179.5	64.5	0	0	0	111.6	I32 D34	I32-L36 HydrophobicContact CD1-CD2 4.21Å; I32-L36 HydrophobicContact CG2-CB 3.95Å; I32-L36 HydrophobicContact CG2-CD2 4.15Å; D34-L36 PolarHBondContact O-N 3.44Å
37	E	83.9	Confident	86.9	Confident	97 Å²	97	91.6 Å²	91.6	45%	0.453	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-87.1	125.2	172.3	-66.9	-169.3	152.3	0	0	109.6	G35 V229 R231	G35-E37 PolarHBondContact O-N 3.11Å; G35-E37 VanDerWaalsContact O-N 3.16Å; E37-V229 HydrophobicContact CB-CG1 4.03Å; E37-V229 HydrophobicContact CG-CG1 3.92Å; E37-V229 WeakPolarHBondContact OE1-CG1 3.16Å; E37-V229 WeakPolarHBondContact OE2-CG1 3.3Å; E37-R231 IonicContact OE1-CZ 2.76Å; E37-R231 IonicContact OE1-NE 3.21Å; E37-R231 PolarHBondContact OE1-NE 2.86Å; E37-R231 IonicContact OE1-NH2 3.46Å
38	I	83.6	Confident	86.7	Confident	92 Å²	92	91.7 Å²	91.7	47%	0.472	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	123.2	175.6	-53.6	177.9	0	0	0	107.3	V40 F230	I38-V40 HydrophobicContact CG2-CG2 3.62Å; I38-F230 HydrophobicContact CB-CB 4.41Å; I38-F230 WeakPolarHBondContact O-CD2 3.23Å; I38-F230 PolarHBondContact O-N 3.02Å
39	V	79.4	Confident	86.5	Confident	86 Å²	86	87.5 Å²	87.5	52%	0.521	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.7	170.4	179.8	0	0	0	0	108.1	E227	V39-E227 HydrophobicContact CG1-CG 3.68Å; V39-E227 WeakPolarHBondContact CG1-OE1 3.44Å
40	V	79.8	Confident	86.4	Confident	28 Å²	28	82 Å²	82	17%	0.17	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125.7	177.9	-167.9	0	0	0	0	108.9	I38 L45 F230	I38-V40 HydrophobicContact CG2-CG2 3.62Å; V40-L45 HydrophobicContact CG1-CD1 3.99Å; V40-L45 HydrophobicContact CG1-CG 3.96Å; V40-F230 HydrophobicContact CB-CE2 3.95Å; V40-F230 HydrophobicContact CG2-CD2 4.04Å; V40-F230 HydrophobicContact CG2-CE2 3.57Å; V40-F230 HydrophobicContact CG2-CZ 4.45Å
41	S	79.1	Confident	86.5	Confident	41 Å²	41	74.2 Å²	74.2	29%	0.287	41%	0.413	S	S	.	.			trans	-62.9	135.8	171.8	173.9	0	0	0	0	109.1	R43 S44 E225	S41-R43 PolarHBondContact O-N 3.36Å; S41-R43 PolarHBondContact OG-N 3.17Å; S41-S44 WeakPolarHBondContact O-CB 3.43Å; S41-S44 PolarHBondContact O-N 3.05Å; S41-E225 PolarHBondContact OG-OE2 3.4Å
42	P	71.3	Confident	86.7	Confident	9 Å²	9	73.5 Å²	73.5	6%	0.058	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-52.9	-27.2	176.8	-28.7	35.3	0	0	0	114	S44 Y114 L228	P42-S44 VanDerWaalsContact C-N 3.35Å; P42-Y114 WeakPolarHBondContact CA-OH 3.42Å; P42-Y114 HydrophobicContact CB-CE1 4.37Å; P42-Y114 PolarHBondContact O-OH 2.8Å; P42-L228 HydrophobicContact CG-CD1 4.31Å
43	R	76.6	Confident	86.9	Confident	189 Å²	189	71.4 Å²	71.4	71%	0.713	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-71.7	-28.3	178.3	-63.5	177.1	-171.2	-87.7	-0.4	113	S41 L45 H46 E225	S41-R43 PolarHBondContact O-N 3.36Å; S41-R43 PolarHBondContact OG-N 3.17Å; R43-L45 VanDerWaalsContact C-N 3.26Å; R43-L45 PolarHBondContact O-N 3.31Å; R43-H46 WeakPolarHBondContact O-CB 3.29Å; R43-H46 PolarHBondContact O-N 3.44Å; R43-E225 IonicContact CZ-OE1 3.84Å; R43-E225 IonicContact NE-OE1 3.05Å; R43-E225 PolarHBondContact NE-OE1 3.35Å; R43-E225 IonicContact NH2-OE1 3.71Å
44	S	84.1	Confident	87.1	Confident	77 Å²	77	69.8 Å²	69.8	54%	0.538	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-69.6	-21.6	-174.1	-59.4	0	0	0	0	113.8	S41 P42	S41-S44 WeakPolarHBondContact O-CB 3.43Å; S41-S44 PolarHBondContact O-N 3.05Å; P42-S44 VanDerWaalsContact C-N 3.35Å
45	L	85.8	Confident	87.3	Confident	46 Å²	46	69.6 Å²	69.6	24%	0.241	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-112.6	8.9	179.3	-60.9	176.5	0	0	0	112.8	V40 R43 S47 E48 L49 I113	V40-L45 HydrophobicContact CG1-CD1 3.99Å; V40-L45 HydrophobicContact CG1-CG 3.96Å; R43-L45 VanDerWaalsContact C-N 3.26Å; R43-L45 PolarHBondContact O-N 3.31Å; L45-S47 PolarHBondContact O-N 3.43Å; L45-E48 VanDerWaalsContact CA-OE2 3.3Å; L45-E48 WeakPolarHBondContact CA-OE2 3.38Å; L45-E48 PolarHBondContact O-N 3.41Å; L45-L49 HydrophobicContact CB-CD1 3.76Å; L45-L49 HydrophobicContact CB-CG 4.23Å; L45-L49 HydrophobicContact CD1-CD1 4.32Å; L45-L49 WeakPolarHBondContact O-CB 2.96Å; L45-L49 WeakPolarHBondContact O-CG 3.29Å; L45-L49 PolarHBondContact O-N 3.21Å; L45-I113 HydrophobicContact CD1-CD1 4.34Å; L45-I113 HydrophobicContact CD1-CG2 4.02Å
46	H	83.9	Confident	87.5	Confident	108 Å²	108	70.3 Å²	70.3	50%	0.5	38%	0.376	S	S	.	.	H	α-helix	trans	-66.3	-40.3	-170.7	-173.7	61	0	0	0	111.7	R43 E48 M50	R43-H46 WeakPolarHBondContact O-CB 3.29Å; R43-H46 PolarHBondContact O-N 3.44Å; H46-E48 VanDerWaalsContact C-N 3.31Å; H46-E48 PolarHBondContact O-N 3.47Å; H46-M50 WeakPolarHBondContact CD2-CE 3.39Å; H46-M50 WeakPolarHBondContact CE1-CE 3.45Å; H46-M50 WeakPolarHBondContact NE2-CE 3.36Å; H46-M50 WeakPolarHBondContact O-CB 3.42Å; H46-M50 VanDerWaalsContact O-CE 3.32Å; H46-M50 WeakPolarHBondContact O-CE 3.48Å; H46-M50 PolarHBondContact O-N 3.37Å
47	S	87.9	Confident	87.6	Confident	88 Å²	88	66.8 Å²	66.8	62%	0.615	36%	0.357	S	S	*	.	H	α-helix	trans	-67.8	-29.6	178.7	32	0	0	0	0	113.5	L45	L45-S47 PolarHBondContact O-N 3.43Å
48	E	93	Very high	88.2	Confident	105 Å²	105	62.2 Å²	62.2	49%	0.491	34%	0.336	S	S	.	.	H	α-helix	trans	-86.9	-29.4	-173.1	-63.8	65.9	-139.7	0	0	112.2	L45 H46	L45-E48 VanDerWaalsContact CA-OE2 3.3Å; L45-E48 WeakPolarHBondContact CA-OE2 3.38Å; L45-E48 PolarHBondContact O-N 3.41Å; H46-E48 VanDerWaalsContact C-N 3.31Å; H46-E48 PolarHBondContact O-N 3.47Å
49	L	93.4	Very high	88.7	Confident	10 Å²	10	61.8 Å²	61.8	5%	0.052	33%	0.33	C	S	.	.	H	α-helix	trans	-106	-0.2	-173	-54.7	178.9	0	0	0	113.6	L45 M57 L58 F106 I110 I113 Y114	L45-L49 HydrophobicContact CB-CD1 3.76Å; L45-L49 HydrophobicContact CB-CG 4.23Å; L45-L49 HydrophobicContact CD1-CD1 4.32Å; L45-L49 WeakPolarHBondContact O-CB 2.96Å; L45-L49 WeakPolarHBondContact O-CG 3.29Å; L45-L49 PolarHBondContact O-N 3.21Å; L49-M57 CarbonylContact O-C 3.54Å; L49-M57 WeakPolarHBondContact O-CA 3.23Å; L49-L58 WeakPolarHBondContact O-CG 3.49Å; L49-L58 PolarHBondContact O-N 3.44Å; L49-F106 HydrophobicContact CD2-CE1 3.91Å; L49-F106 HydrophobicContact CD2-CZ 3.66Å; L49-I110 HydrophobicContact CD2-CG1 3.96Å; L49-I113 HydrophobicContact CD1-CD1 3.88Å; L49-I113 HydrophobicContact CD1-CG2 4.48Å; L49-I113 HydrophobicContact CD2-CD1 4.4Å; L49-Y114 HydrophobicContact CD1-CD2 4.35Å; L49-Y114 HydrophobicContact CD1-CE2 3.66Å
50	M	94.4	Very high	89.6	Confident	39 Å²	39	63.1 Å²	63.1	19%	0.192	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-94.7	140	-177.8	-169.6	-167.9	-19.2	0	0	112.5	H46 L55 D56	H46-M50 WeakPolarHBondContact CD2-CE 3.39Å; H46-M50 WeakPolarHBondContact CE1-CE 3.45Å; H46-M50 WeakPolarHBondContact NE2-CE 3.36Å; H46-M50 WeakPolarHBondContact O-CB 3.42Å; H46-M50 VanDerWaalsContact O-CE 3.32Å; H46-M50 WeakPolarHBondContact O-CE 3.48Å; H46-M50 PolarHBondContact O-N 3.37Å; M50-L55 VanDerWaalsContact CG-C 3.49Å; M50-L55 HydrophobicContact SD-CB 4.12Å; M50-L55 HydrophobicContact SD-CD2 4.44Å; M50-D56 WeakPolarHBondContact CG-O 3.24Å
51	C	97.3	Very high	90.5	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.326	C	S	.	.			trans	-75.9	123.2	169.8	-176.7	0	0	0	0	110.1	I53 C54 L55 D56 L58 C72	C51-I53 PolarHBondContact O-N 2.92Å; C51-C54 VanDerWaalsContact CB-SG 3.54Å; C51-L55 VanDerWaalsContact O-CA 3.27Å; C51-L55 WeakPolarHBondContact O-CA 3.26Å; C51-L55 PolarHBondContact O-N 3.19Å; C51-D56 WeakPolarHBondContact CB-O 3.45Å; C51-D56 PolarHBondContact N-O 3.08Å; C51-L58 HydrophobicContact CB-CD2 3.68Å; C51-L58 HydrophobicContact CB-CG 4.28Å; C51-C72 VanDerWaalsContact CB-SG 3.52Å; C51-C72 PolarHBondContact SG-N 2.7Å; C51-C72 VanDerWaalsContact SG-N 3.4Å
52	P	96.8	Very high	91.4	Very high	63 Å²	63	60.5 Å²	60.5	41%	0.409	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-1.5	-179.6	32	-39.6	0	0	0	114	R70 F71	P52-R70 WeakPolarHBondContact CD-O 3.43Å; P52-F71 HydrophobicContact CG-CD1 3.63Å; P52-F71 HydrophobicContact CG-CE1 3.38Å; P52-F71 HydrophobicContact CG-CZ 4.38Å
53	I	96.9	Very high	92.7	Very high	64 Å²	64	60.6 Å²	60.6	33%	0.328	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-53.9	177.2	-60.9	165.4	0	0	0	110.6	C51 F71 C75 I76 A79 P88	C51-I53 PolarHBondContact O-N 2.92Å; I53-F71 HydrophobicContact CD1-CB 4.22Å; I53-F71 HydrophobicContact CD1-CD1 3.42Å; I53-F71 VanDerWaalsContact CD1-CD1 3.42Å; I53-F71 HydrophobicContact CD1-CE1 4.09Å; I53-F71 HydrophobicContact CD1-CG 4.06Å; I53-F71 HydrophobicContact CG1-CD1 3.76Å; I53-F71 HydrophobicContact CG1-CE1 4.19Å; I53-C75 HydrophobicContact CB-CB 3.89Å; I53-C75 HydrophobicContact CD1-CB 3.69Å; I53-C75 HydrophobicContact CG1-CB 4.41Å; I53-C75 HydrophobicContact CG2-CB 3.88Å; I53-I76 HydrophobicContact CD1-CD1 4.46Å; I53-A79 HydrophobicContact CD1-CB 4.43Å; I53-P88 HydrophobicContact CD1-CB 4.49Å; I53-P88 HydrophobicContact CD1-CG 4.02Å; I53-P88 HydrophobicContact CG1-CB 4.21Å; I53-P88 HydrophobicContact CG1-CG 4.27Å
54	C	95.9	Very high	93.7	Very high	59 Å²	59	51.6 Å²	51.6	40%	0.399	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-7.7	-178.7	64.7	0	0	0	0	113.8	C51 D56	C51-C54 VanDerWaalsContact CB-SG 3.54Å; C54-D56 PolarHBondContact O-N 3.45Å
55	L	93.8	Very high	94.4	Very high	123 Å²	123	52.3 Å²	52.3	64%	0.644	28%	0.276	S	S	*	.	S	Bend	trans	58	25.6	-178.2	-49	-179.6	0	0	0	113.6	M50 C51	M50-L55 VanDerWaalsContact CG-C 3.49Å; M50-L55 HydrophobicContact SD-CB 4.12Å; M50-L55 HydrophobicContact SD-CD2 4.44Å; C51-L55 VanDerWaalsContact O-CA 3.27Å; C51-L55 WeakPolarHBondContact O-CA 3.26Å; C51-L55 PolarHBondContact O-N 3.19Å
56	D	91.9	Very high	94.9	Very high	57 Å²	57	56.5 Å²	56.5	31%	0.305	29%	0.294	S	S	.	.	S	Bend	trans	-120.6	164	176.8	-169.4	9.9	0	0	0	108.7	M50 C51 C54	M50-D56 WeakPolarHBondContact CG-O 3.24Å; C51-D56 WeakPolarHBondContact CB-O 3.45Å; C51-D56 PolarHBondContact N-O 3.08Å; C54-D56 PolarHBondContact O-N 3.45Å
57	M	91.8	Very high	95.5	Very high	21 Å²	21	52.5 Å²	52.5	10%	0.103	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-56.9	144.5	179.3	176.9	-169.3	-54.9	0	0	110.7	L49 K59 I110 Y114 R117	L49-M57 CarbonylContact O-C 3.54Å; L49-M57 WeakPolarHBondContact O-CA 3.23Å; M57-K59 PolarHBondContact O-N 3.36Å; M57-I110 HydrophobicContact CG-CG2 4.02Å; M57-I110 HydrophobicContact SD-CG2 3.52Å; M57-I110 VanDerWaalsContact SD-CG2 3.52Å; M57-Y114 HydrophobicContact CE-CD1 3.88Å; M57-Y114 HydrophobicContact CE-CD2 3.44Å; M57-Y114 VanDerWaalsContact CE-CD2 3.44Å; M57-Y114 HydrophobicContact CE-CE1 3.95Å; M57-Y114 HydrophobicContact CE-CE2 3.58Å; M57-Y114 HydrophobicContact CE-CG 3.63Å; M57-Y114 HydrophobicContact SD-CD2 3.86Å; M57-Y114 HydrophobicContact SD-CE2 4.43Å; M57-Y114 HydrophobicContact SD-CG 4.18Å; M57-R117 PolarHBondContact O-NH2 3.47Å; M57-R117 HydrophobicContact SD-CG 4.42Å; M57-R117 VanDerWaalsContact SD-CZ 3.57Å
58	L	95.6	Very high	96	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	28%	0.277	C	S	.	.			trans	-63.1	131.2	-174.1	-73.3	158.1	0	0	0	111.9	L49 C51 T61 R70 F71 F106 I110 R117	L49-L58 WeakPolarHBondContact O-CG 3.49Å; L49-L58 PolarHBondContact O-N 3.44Å; C51-L58 HydrophobicContact CB-CD2 3.68Å; C51-L58 HydrophobicContact CB-CG 4.28Å; L58-T61 HydrophobicContact CD1-CG2 4.45Å; L58-R70 HydrophobicContact CD1-CB 3.78Å; L58-R70 HydrophobicContact CD2-CB 4.19Å; L58-F71 VanDerWaalsContact CD2-CA 3.41Å; L58-F106 HydrophobicContact CD1-CD1 4.19Å; L58-F106 HydrophobicContact CD1-CE1 3.57Å; L58-F106 HydrophobicContact CD1-CZ 4.49Å; L58-I110 HydrophobicContact CB-CD1 3.83Å; L58-R117 PolarHBondContact O-NH1 3.11Å
59	K	94.9	Very high	96.2	Very high	82 Å²	82	51.4 Å²	51.4	36%	0.357	27%	0.266	S	S	.	.	S	Bend	trans	-121.9	129.1	175.7	-63.3	-178.5	-175.6	-176.5	0	109.4	M57 C72 A73 R117 E121	M57-K59 PolarHBondContact O-N 3.36Å; K59-C72 PolarHBondContact N-SG 3.22Å; K59-C72 WeakPolarHBondContact O-CA 3.46Å; K59-C72 WeakPolarHBondContact O-CB 3.49Å; K59-A73 PolarHBondContact O-N 2.83Å; K59-R117 VanDerWaalsContact CE-CZ 3.42Å; K59-R117 VanDerWaalsContact CG-NH2 3.3Å; K59-E121 WeakPolarHBondContact CE-OE1 3.08Å; K59-E121 IonicContact NZ-OE1 3.06Å; K59-E121 PolarHBondContact NZ-OE1 2.87Å; K59-E121 IonicContact NZ-OE2 2.82Å; K59-E121 PolarHBondContact NZ-OE2 3.13Å
60	N	97.4	Very high	96.5	Very high	114 Å²	114	55 Å²	55	61%	0.61	28%	0.279	S	S	*	.	S	Bend	trans	49.4	63.7	-176.3	-53.5	106.7	0	0	0	110.7	M62 A73 D107	N60-M62 PolarHBondContact O-N 3.07Å; N60-A73 HydrophobicContact CB-CB 3.97Å; N60-A73 WeakPolarHBondContact O-CB 3.3Å; N60-A73 PolarHBondContact O-N 3.4Å; N60-A73 VanDerWaalsContact O-N 3.13Å; N60-D107 WeakPolarHBondContact CA-OD2 3.48Å
61	T	98.3	Very high	96.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	129.3	-165.1	-59.5	0	0	0	0	111.6	L58 R70 P102 D103 F106 D107	L58-T61 HydrophobicContact CD1-CG2 4.45Å; T61-R70 HydrophobicContact CG2-CB 3.91Å; T61-R70 HydrophobicContact CG2-CG 4Å; T61-P102 CarbonylContact O-C 3.58Å; T61-P102 WeakPolarHBondContact O-CA 3.39Å; T61-D103 HydrophobicContact CG2-CB 4.1Å; T61-D103 PolarHBondContact O-N 3.14Å; T61-F106 HydrophobicContact CG2-CB 4.49Å; T61-F106 HydrophobicContact CG2-CD1 4.05Å; T61-D107 WeakPolarHBondContact CB-OD1 3.45Å; T61-D107 PolarHBondContact N-OD1 3.13Å; T61-D107 PolarHBondContact N-OD2 3.36Å; T61-D107 PolarHBondContact OG1-OD1 2.88Å
62	M	98.4	Very high	96.7	Very high	15 Å²	15	53.6 Å²	53.6	7%	0.074	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.9	171.8	-67.7	-66.9	-75.6	0	0	109.7	N60 R70 F71 A73 I76 L100 R101 P102	N60-M62 PolarHBondContact O-N 3.07Å; M62-R70 WeakPolarHBondContact O-CA 3.03Å; M62-F71 PolarHBondContact N-O 3.15Å; M62-F71 PolarHBondContact O-N 3.04Å; M62-A73 HydrophobicContact CG-CB 3.77Å; M62-I76 HydrophobicContact CB-CG2 3.77Å; M62-I76 HydrophobicContact CG-CG2 4.13Å; M62-L100 HydrophobicContact CE-CB 3.66Å; M62-L100 HydrophobicContact CE-CD1 4.07Å; M62-R101 CarbonylContact C-O 3.59Å; M62-R101 WeakPolarHBondContact CA-O 3.4Å; M62-P102 HydrophobicContact SD-CB 4.03Å
63	T	98.5	Very high	96.8	Very high	11 Å²	11	51.4 Å²	51.4	7%	0.067	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.8	-176.4	-56.6	0	0	0	0	110.7	L68 H69 R70 L100 R101 D103	T63-L68 HydrophobicContact CG2-CB 4.32Å; T63-L68 HydrophobicContact CG2-CD2 4.11Å; T63-H69 WeakPolarHBondContact CA-O 3.35Å; T63-R70 HydrophobicContact CG2-CG 4.4Å; T63-L100 CarbonylContact O-C 3.44Å; T63-L100 VanDerWaalsContact O-CA 3.31Å; T63-L100 WeakPolarHBondContact O-CA 3.43Å; T63-R101 PolarHBondContact N-O 3.03Å; T63-R101 PolarHBondContact O-N 3.43Å; T63-D103 WeakPolarHBondContact OG1-CB 3.33Å; T63-D103 PolarHBondContact OG1-OD2 3.39Å
64	T	98.3	Very high	96.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	136.1	175.4	58.3	0	0	0	0	111.4	E66 C67 L68 H69 F71 L94 L100	T64-E66 PolarHBondContact O-N 3.48Å; T64-C67 PolarHBondContact OG1-SG 3.21Å; T64-L68 VanDerWaalsContact O-CA 3.26Å; T64-L68 WeakPolarHBondContact O-CA 3.45Å; T64-L68 PolarHBondContact O-N 2.88Å; T64-L68 PolarHBondContact OG1-N 2.74Å; T64-H69 PolarHBondContact N-O 3.24Å; T64-H69 PolarHBondContact OG1-N 3.07Å; T64-H69 PolarHBondContact OG1-O 3.22Å; T64-F71 HydrophobicContact CG2-CD2 4.41Å; T64-F71 HydrophobicContact CG2-CE2 3.81Å; T64-L94 HydrophobicContact CG2-CD1 3.8Å; T64-L94 HydrophobicContact CG2-CD2 3.82Å; T64-L94 HydrophobicContact CG2-CG 4.45Å; T64-L100 HydrophobicContact CG2-CD2 3.59Å
65	K	97.8	Very high	97	Very high	92 Å²	92	52.6 Å²	52.6	40%	0.4	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-37.1	-177.8	-69.1	174.4	179.4	176.7	0	113.9	R98 S99 R101	K65-R98 WeakPolarHBondContact CE-O 3.48Å; K65-R98 PolarHBondContact NZ-O 3.23Å; K65-S99 WeakPolarHBondContact CG-O 3.45Å; K65-S99 PolarHBondContact N-O 2.94Å; K65-R101 HydrophobicContact CG-CG 4.27Å
66	E	95.9	Very high	97.2	Very high	134 Å²	134	46.7 Å²	46.7	63%	0.626	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-16.2	-171.9	-61.4	-58	142.4	0	0	114.5	T64 K92	T64-E66 PolarHBondContact O-N 3.48Å; E66-K92 HydrophobicContact CB-CD 4.43Å; E66-K92 PolarHBondContact O-NZ 2.7Å
67	C	97.3	Very high	97.4	Very high	23 Å²	23	46.8 Å²	46.8	16%	0.155	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.4	-2.4	-175.5	41.6	0	0	0	0	114.9	T64 H69 K92	T64-C67 PolarHBondContact OG1-SG 3.21Å; C67-H69 PolarHBondContact O-N 3.08Å; C67-K92 HydrophobicContact CB-CD 3.92Å
68	L	97.8	Very high	97.6	Very high	115 Å²	115	48.9 Å²	48.9	60%	0.602	25%	0.248	S	C	*	.			trans	55.4	23	177.4	-54.1	179.4	0	0	0	114.7	T63 T64	T63-L68 HydrophobicContact CG2-CB 4.32Å; T63-L68 HydrophobicContact CG2-CD2 4.11Å; T64-L68 VanDerWaalsContact O-CA 3.26Å; T64-L68 WeakPolarHBondContact O-CA 3.45Å; T64-L68 PolarHBondContact O-N 2.88Å; T64-L68 PolarHBondContact OG1-N 2.74Å
69	H	98.3	Very high	97.6	Very high	56 Å²	56	50.1 Å²	50.1	26%	0.259	26%	0.259	S	S	.	.			trans	-74.9	139.6	171.4	-69	120.7	0	0	0	110	T63 T64 C67 F71 C87 T89 C90	T63-H69 WeakPolarHBondContact CA-O 3.35Å; T64-H69 PolarHBondContact N-O 3.24Å; T64-H69 PolarHBondContact OG1-N 3.07Å; T64-H69 PolarHBondContact OG1-O 3.22Å; C67-H69 PolarHBondContact O-N 3.08Å; H69-F71 HydrophobicContact CB-CE2 3.67Å; H69-F71 HydrophobicContact CB-CZ 3.78Å; H69-C87 PolarHBondContact ND1-SG 3.25Å; H69-T89 WeakPolarHBondContact NE2-CG2 3.19Å; H69-C90 VanDerWaalsContact CE1-CB 3.43Å; H69-C90 WeakPolarHBondContact CE1-CB 3.42Å; H69-C90 PolarHBondContact CE1-SG 2.82Å; H69-C90 PolarHBondContact ND1-SG 3.21Å
70	R	98.5	Very high	97.7	Very high	86 Å²	86	46.8 Å²	46.8	33%	0.325	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	140	-173.8	-66.6	-178	173.5	85	0.6	111.1	P52 L58 T61 M62 T63 D103	P52-R70 WeakPolarHBondContact CD-O 3.43Å; L58-R70 HydrophobicContact CD1-CB 3.78Å; L58-R70 HydrophobicContact CD2-CB 4.19Å; T61-R70 HydrophobicContact CG2-CB 3.91Å; T61-R70 HydrophobicContact CG2-CG 4Å; M62-R70 WeakPolarHBondContact O-CA 3.03Å; T63-R70 HydrophobicContact CG2-CG 4.4Å; R70-D103 IonicContact CZ-OD2 3.93Å; R70-D103 IonicContact NE-OD2 3.4Å; R70-D103 PolarHBondContact NE-OD2 3.38Å; R70-D103 IonicContact NH2-OD2 3.53Å
71	F	98.5	Very high	97.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	158.8	179.1	-51.8	-85.5	0	0	0	110.3	P52 I53 L58 M62 T64 H69 I76 P88 T89	P52-F71 HydrophobicContact CG-CD1 3.63Å; P52-F71 HydrophobicContact CG-CE1 3.38Å; P52-F71 HydrophobicContact CG-CZ 4.38Å; I53-F71 HydrophobicContact CD1-CB 4.22Å; I53-F71 HydrophobicContact CD1-CD1 3.42Å; I53-F71 VanDerWaalsContact CD1-CD1 3.42Å; I53-F71 HydrophobicContact CD1-CE1 4.09Å; I53-F71 HydrophobicContact CD1-CG 4.06Å; I53-F71 HydrophobicContact CG1-CD1 3.76Å; I53-F71 HydrophobicContact CG1-CE1 4.19Å; L58-F71 VanDerWaalsContact CD2-CA 3.41Å; M62-F71 PolarHBondContact N-O 3.15Å; M62-F71 PolarHBondContact O-N 3.04Å; T64-F71 HydrophobicContact CG2-CD2 4.41Å; T64-F71 HydrophobicContact CG2-CE2 3.81Å; H69-F71 HydrophobicContact CB-CE2 3.67Å; H69-F71 HydrophobicContact CB-CZ 3.78Å; F71-I76 HydrophobicContact CB-CB 3.74Å; F71-I76 HydrophobicContact CB-CG1 4.45Å; F71-I76 HydrophobicContact CB-CG2 4.23Å; F71-I76 HydrophobicContact CD2-CB 4.28Å; F71-I76 HydrophobicContact CD2-CD1 3.89Å; F71-I76 HydrophobicContact CD2-CG1 4.07Å; F71-I76 HydrophobicContact CE2-CD1 4.14Å; F71-I76 HydrophobicContact CG-CB 4.1Å; F71-I76 HydrophobicContact CG-CD1 4.12Å; F71-I76 HydrophobicContact CG-CG1 4.33Å; F71-P88 HydrophobicContact CE1-CB 3.87Å; F71-P88 HydrophobicContact CE1-CG 3.96Å; F71-P88 HydrophobicContact CZ-CB 4.3Å; F71-P88 HydrophobicContact CZ-CG 4.22Å; F71-T89 WeakPolarHBondContact CZ-OG1 3.34Å
72	C	98.6	Very high	97.2	Very high	9 Å²	9	55.1 Å²	55.1	6%	0.061	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	146.8	165.8	-52.6	0	0	0	0	110.1	C51 K59 D74 C75 I76	C51-C72 VanDerWaalsContact CB-SG 3.52Å; C51-C72 PolarHBondContact SG-N 2.7Å; C51-C72 VanDerWaalsContact SG-N 3.4Å; K59-C72 PolarHBondContact N-SG 3.22Å; K59-C72 WeakPolarHBondContact O-CA 3.46Å; K59-C72 WeakPolarHBondContact O-CB 3.49Å; C72-D74 PolarHBondContact O-N 3.29Å; C72-C75 HydrophobicContact CB-CB 4.02Å; C72-C75 PolarHBondContact O-N 2.91Å; C72-I76 WeakPolarHBondContact O-CG2 3.13Å; C72-I76 PolarHBondContact O-N 2.84Å
73	A	98.2	Very high	96.7	Very high	16 Å²	16	56.4 Å²	56.4	13%	0.132	30%	0.299	C	S	.	.	H	α-helix	trans	-53.7	-51.1	179.5	0	0	0	0	0	112.5	K59 N60 M62 C75 I76 I77	K59-A73 PolarHBondContact O-N 2.83Å; N60-A73 HydrophobicContact CB-CB 3.97Å; N60-A73 WeakPolarHBondContact O-CB 3.3Å; N60-A73 PolarHBondContact O-N 3.4Å; N60-A73 VanDerWaalsContact O-N 3.13Å; M62-A73 HydrophobicContact CG-CB 3.77Å; A73-C75 VanDerWaalsContact C-N 3.32Å; A73-C75 PolarHBondContact O-N 3.23Å; A73-I76 PolarHBondContact O-N 2.88Å; A73-I77 HydrophobicContact CB-CD1 4.49Å; A73-I77 VanDerWaalsContact O-CB 3.29Å; A73-I77 WeakPolarHBondContact O-CB 3.29Å; A73-I77 WeakPolarHBondContact O-CD1 3.47Å; A73-I77 WeakPolarHBondContact O-CG1 3.17Å; A73-I77 PolarHBondContact O-N 2.98Å
74	D	98.1	Very high	96.3	Very high	122 Å²	122	61.2 Å²	61.2	65%	0.652	32%	0.324	S	S	*	.	H	α-helix	trans	-64.8	-38.6	-177.9	-64.3	-21	0	0	0	112	C72 T78	C72-D74 PolarHBondContact O-N 3.29Å; D74-T78 WeakPolarHBondContact O-CB 3.21Å; D74-T78 PolarHBondContact O-N 2.93Å; D74-T78 PolarHBondContact O-OG1 3.35Å
75	C	98.3	Very high	96.1	Very high	26 Å²	26	65.5 Å²	65.5	18%	0.176	34%	0.342	C	S	.	.	H	α-helix	trans	-63.2	-52.9	179.1	-65.4	0	0	0	0	111.7	I53 C72 A73 T78 A79	I53-C75 HydrophobicContact CB-CB 3.89Å; I53-C75 HydrophobicContact CD1-CB 3.69Å; I53-C75 HydrophobicContact CG1-CB 4.41Å; I53-C75 HydrophobicContact CG2-CB 3.88Å; C72-C75 HydrophobicContact CB-CB 4.02Å; C72-C75 PolarHBondContact O-N 2.91Å; A73-C75 VanDerWaalsContact C-N 3.32Å; A73-C75 PolarHBondContact O-N 3.23Å; C75-T78 PolarHBondContact O-N 3.02Å; C75-A79 WeakPolarHBondContact O-CB 3.49Å; C75-A79 PolarHBondContact O-N 3.47Å
76	I	98	Very high	96.1	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-72.1	-34.2	-176.9	-168.6	60.3	0	0	0	112.4	I53 M62 F71 C72 A73 A79 L80 P88 L94 L100	I53-I76 HydrophobicContact CD1-CD1 4.46Å; M62-I76 HydrophobicContact CB-CG2 3.77Å; M62-I76 HydrophobicContact CG-CG2 4.13Å; F71-I76 HydrophobicContact CB-CB 3.74Å; F71-I76 HydrophobicContact CB-CG1 4.45Å; F71-I76 HydrophobicContact CB-CG2 4.23Å; F71-I76 HydrophobicContact CD2-CB 4.28Å; F71-I76 HydrophobicContact CD2-CD1 3.89Å; F71-I76 HydrophobicContact CD2-CG1 4.07Å; F71-I76 HydrophobicContact CE2-CD1 4.14Å; F71-I76 HydrophobicContact CG-CB 4.1Å; F71-I76 HydrophobicContact CG-CD1 4.12Å; F71-I76 HydrophobicContact CG-CG1 4.33Å; C72-I76 WeakPolarHBondContact O-CG2 3.13Å; C72-I76 PolarHBondContact O-N 2.84Å; A73-I76 PolarHBondContact O-N 2.88Å; I76-A79 PolarHBondContact O-N 3.01Å; I76-L80 HydrophobicContact CG1-CD1 4.48Å; I76-L80 WeakPolarHBondContact O-CG 3.43Å; I76-L80 PolarHBondContact O-N 3.32Å; I76-P88 HydrophobicContact CD1-CG 3.92Å; I76-L94 HydrophobicContact CD1-CD1 4.26Å; I76-L100 HydrophobicContact CB-CD1 4.38Å; I76-L100 HydrophobicContact CG1-CD1 3.7Å; I76-L100 HydrophobicContact CG1-CD2 4.15Å; I76-L100 HydrophobicContact CG2-CD1 3.7Å
77	I	96.5	Very high	96.2	Very high	59 Å²	59	58.4 Å²	58.4	30%	0.303	31%	0.311	S	S	.	.	H	α-helix	trans	-65.7	-42.6	175.8	-68.3	168.2	0	0	0	110.1	A73 L80 R81 K97	A73-I77 HydrophobicContact CB-CD1 4.49Å; A73-I77 VanDerWaalsContact O-CB 3.29Å; A73-I77 WeakPolarHBondContact O-CB 3.29Å; A73-I77 WeakPolarHBondContact O-CD1 3.47Å; A73-I77 WeakPolarHBondContact O-CG1 3.17Å; A73-I77 PolarHBondContact O-N 2.98Å; I77-L80 PolarHBondContact O-N 3.29Å; I77-R81 WeakPolarHBondContact O-CB 3.38Å; I77-R81 PolarHBondContact O-N 3.05Å; I77-K97 HydrophobicContact CD1-CD 4.37Å
78	T	96.8	Very high	96.2	Very high	65 Å²	65	60.2 Å²	60.2	40%	0.399	32%	0.322	S	S	.	.	H	α-helix	trans	-63.1	-46.4	175.6	-61.6	0	0	0	0	111.2	D74 C75 L80 R81 S82	D74-T78 WeakPolarHBondContact O-CB 3.21Å; D74-T78 PolarHBondContact O-N 2.93Å; D74-T78 PolarHBondContact O-OG1 3.35Å; C75-T78 PolarHBondContact O-N 3.02Å; T78-L80 VanDerWaalsContact C-N 3.34Å; T78-L80 PolarHBondContact O-N 3.45Å; T78-R81 WeakPolarHBondContact O-CB 3.33Å; T78-R81 PolarHBondContact O-N 2.87Å; T78-S82 PolarHBondContact O-N 2.92Å; T78-S82 VanDerWaalsContact O-N 3.07Å; T78-S82 PolarHBondContact O-OG 2.89Å
79	A	96.1	Very high	96.1	Very high	28 Å²	28	58 Å²	58	23%	0.231	31%	0.314	C	S	.	.	H	α-helix	trans	-57.9	-44.5	177.4	0	0	0	0	0	112.3	I53 C75 I76 R81 S82 P88	I53-A79 HydrophobicContact CD1-CB 4.43Å; C75-A79 WeakPolarHBondContact O-CB 3.49Å; C75-A79 PolarHBondContact O-N 3.47Å; I76-A79 PolarHBondContact O-N 3.01Å; A79-R81 VanDerWaalsContact C-N 3.28Å; A79-R81 PolarHBondContact O-N 3.17Å; A79-S82 WeakPolarHBondContact O-CB 3.48Å; A79-S82 PolarHBondContact O-N 3.2Å; A79-P88 HydrophobicContact CB-CG 4.38Å
80	L	95.6	Very high	96.1	Very high	12 Å²	12	57.7 Å²	57.7	6%	0.063	32%	0.317	C	S	.	.	H	α-helix	trans	-66.7	-30.1	176.6	-70	176.3	0	0	0	112.6	I76 I77 T78 K85 L94 L100	I76-L80 HydrophobicContact CG1-CD1 4.48Å; I76-L80 WeakPolarHBondContact O-CG 3.43Å; I76-L80 PolarHBondContact O-N 3.32Å; I77-L80 PolarHBondContact O-N 3.29Å; T78-L80 VanDerWaalsContact C-N 3.34Å; T78-L80 PolarHBondContact O-N 3.45Å; L80-K85 HydrophobicContact CD2-CD 4.34Å; L80-K85 WeakPolarHBondContact O-CE 3.48Å; L80-K85 PolarHBondContact O-NZ 3.39Å; L80-L94 HydrophobicContact CD2-CB 3.83Å; L80-L94 HydrophobicContact CD2-CD1 4.3Å; L80-L100 HydrophobicContact CD1-CD1 3.93Å
81	R	94.5	Very high	96	Very high	197 Å²	197	62.7 Å²	62.7	74%	0.743	34%	0.336	S	S	*	.	H	α-helix	trans	-71.5	-30.8	176.6	-172.3	169.9	60.3	90	-0.1	112.4	I77 T78 A79 G83	I77-R81 WeakPolarHBondContact O-CB 3.38Å; I77-R81 PolarHBondContact O-N 3.05Å; T78-R81 WeakPolarHBondContact O-CB 3.33Å; T78-R81 PolarHBondContact O-N 2.87Å; A79-R81 VanDerWaalsContact C-N 3.28Å; A79-R81 PolarHBondContact O-N 3.17Å; R81-G83 PolarHBondContact O-N 3.07Å
82	S	92.1	Very high	95.8	Very high	92 Å²	92	67.8 Å²	67.8	64%	0.643	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-2.7	177.3	-56.3	0	0	0	0	115	T78 A79	T78-S82 PolarHBondContact O-N 2.92Å; T78-S82 VanDerWaalsContact O-N 3.07Å; T78-S82 PolarHBondContact O-OG 2.89Å; A79-S82 WeakPolarHBondContact O-CB 3.48Å; A79-S82 PolarHBondContact O-N 3.2Å
83	G	87	Confident	95.8	Very high	42 Å²	42	75.1 Å²	75.1	43%	0.433	39%	0.389	S	S	.	.	S	Bend	trans	109.2	-33.7	172.1	0	0	0	0	0	113.4	R81 K85	R81-G83 PolarHBondContact O-N 3.07Å; G83-K85 PolarHBondContact O-N 3.24Å; G83-K85 PolarHBondContact O-NZ 3.23Å; G83-K85 VanDerWaalsContact O-NZ 3.12Å
84	N	89.4	Confident	95.7	Very high	112 Å²	112	74.4 Å²	74.4	60%	0.599	38%	0.383	S	S	*	.			trans	-75.1	108.5	-177.9	-65.8	-12.3	0	0	0	111.4	E86	N84-E86 VanDerWaalsContact C-N 3.26Å; N84-E86 HydrophobicContact CB-CG 4.38Å; N84-E86 PolarHBondContact O-N 3.46Å
85	K	95.3	Very high	95.5	Very high	89 Å²	89	72.8 Å²	72.8	39%	0.387	38%	0.377	S	S	.	.			trans	-90.7	52.4	-176.9	-63	-58.9	176.9	-76.5	0	111.8	L80 G83 L94	L80-K85 HydrophobicContact CD2-CD 4.34Å; L80-K85 WeakPolarHBondContact O-CE 3.48Å; L80-K85 PolarHBondContact O-NZ 3.39Å; G83-K85 PolarHBondContact O-N 3.24Å; G83-K85 PolarHBondContact O-NZ 3.23Å; G83-K85 VanDerWaalsContact O-NZ 3.12Å; K85-L94 CarbonylContact C-O 3.56Å; K85-L94 WeakPolarHBondContact CA-O 3.35Å; K85-L94 VanDerWaalsContact CB-O 3.28Å; K85-L94 WeakPolarHBondContact CB-O 3.38Å; K85-L94 PolarHBondContact O-N 2.87Å
86	E	97	Very high	95.3	Very high	78 Å²	78	73.6 Å²	73.6	36%	0.364	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-137.3	157.3	-178.2	65.1	179.8	-175.6	0	0	111.7	N84 P88 K92	N84-E86 VanDerWaalsContact C-N 3.26Å; N84-E86 HydrophobicContact CB-CG 4.38Å; N84-E86 PolarHBondContact O-N 3.46Å; E86-P88 WeakPolarHBondContact O-CD 3.18Å; E86-K92 CarbonylContact C-O 3.52Å; E86-K92 WeakPolarHBondContact CA-O 3.42Å
87	C	97.9	Very high	95.2	Very high	0 Å²	0	79.8 Å²	79.8	0%	0	41%	0.41	C	S	.	.			trans	-69.5	125.3	174.1	176.8	0	0	0	0	110	H69 T89 C90 R91 K92 L94	H69-C87 PolarHBondContact ND1-SG 3.25Å; C87-T89 PolarHBondContact O-N 3.45Å; C87-T89 VanDerWaalsContact O-N 3.11Å; C87-C90 PolarHBondContact O-N 2.76Å; C87-R91 WeakPolarHBondContact O-CA 3.39Å; C87-R91 PolarHBondContact O-N 3.36Å; C87-K92 PolarHBondContact N-O 3Å; C87-L94 HydrophobicContact CB-CD1 3.94Å; C87-L94 HydrophobicContact CB-CG 4.15Å
88	P	96.9	Very high	95.2	Very high	60 Å²	60	85.9 Å²	85.9	39%	0.39	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.2	-179.7	-28.3	36.6	0	0	0	114.7	I53 F71 I76 A79 E86	I53-P88 HydrophobicContact CD1-CB 4.49Å; I53-P88 HydrophobicContact CD1-CG 4.02Å; I53-P88 HydrophobicContact CG1-CB 4.21Å; I53-P88 HydrophobicContact CG1-CG 4.27Å; F71-P88 HydrophobicContact CE1-CB 3.87Å; F71-P88 HydrophobicContact CE1-CG 3.96Å; F71-P88 HydrophobicContact CZ-CB 4.3Å; F71-P88 HydrophobicContact CZ-CG 4.22Å; I76-P88 HydrophobicContact CD1-CG 3.92Å; A79-P88 HydrophobicContact CB-CG 4.38Å; E86-P88 WeakPolarHBondContact O-CD 3.18Å
89	T	96.9	Very high	95.2	Very high	69 Å²	69	83.8 Å²	83.8	42%	0.423	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-48.3	-178.5	-47.2	0	0	0	0	112.9	H69 F71 C87	H69-T89 WeakPolarHBondContact NE2-CG2 3.19Å; F71-T89 WeakPolarHBondContact CZ-OG1 3.34Å; C87-T89 PolarHBondContact O-N 3.45Å; C87-T89 VanDerWaalsContact O-N 3.11Å
90	C	97.1	Very high	95.3	Very high	49 Å²	49	82.8 Å²	82.8	33%	0.331	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	7.4	-170.5	74.6	0	0	0	0	114.7	H69 C87 K92	H69-C90 VanDerWaalsContact CE1-CB 3.43Å; H69-C90 WeakPolarHBondContact CE1-CB 3.42Å; H69-C90 PolarHBondContact CE1-SG 2.82Å; H69-C90 PolarHBondContact ND1-SG 3.21Å; C87-C90 PolarHBondContact O-N 2.76Å; C90-K92 PolarHBondContact O-N 2.88Å
91	R	96.3	Very high	95.4	Very high	192 Å²	192	89.8 Å²	89.8	73%	0.725	43%	0.434	S	S	*	.			trans	57.3	12.3	177.4	-53.3	-172	-174.5	179.8	0.1	116.1	C87	C87-R91 WeakPolarHBondContact O-CA 3.39Å; C87-R91 PolarHBondContact O-N 3.36Å
92	K	96.2	Very high	95.6	Very high	107 Å²	107	84.8 Å²	84.8	47%	0.465	43%	0.427	S	S	.	.			trans	-62.4	143.9	169.9	-73.4	-169.7	-160.1	-178.1	0	109.8	E66 C67 E86 C87 C90 L94	E66-K92 HydrophobicContact CB-CD 4.43Å; E66-K92 PolarHBondContact O-NZ 2.7Å; C67-K92 HydrophobicContact CB-CD 3.92Å; E86-K92 CarbonylContact C-O 3.52Å; E86-K92 WeakPolarHBondContact CA-O 3.42Å; C87-K92 PolarHBondContact N-O 3Å; C90-K92 PolarHBondContact O-N 2.88Å; K92-L94 PolarHBondContact O-N 2.88Å
93	K	96.8	Very high	95.8	Very high	163 Å²	163	81.8 Å²	81.8	71%	0.709	40%	0.404	S	S	*	.	B	Isolated β-bridge	trans	-60.5	129	-175.5	-171.5	173.9	-177.1	175.2	0	112.3	V95	K93-V95 HydrophobicContact CG-CG2 4.49Å
94	L	96.7	Very high	96.3	Very high	0 Å²	0	83.8 Å²	83.8	0%	0	41%	0.409	C	S	.	.			trans	-122	98.5	172.9	-65.6	-176.9	0	0	0	109.3	T64 I76 L80 K85 C87 K92 S96 L100	T64-L94 HydrophobicContact CG2-CD1 3.8Å; T64-L94 HydrophobicContact CG2-CD2 3.82Å; T64-L94 HydrophobicContact CG2-CG 4.45Å; I76-L94 HydrophobicContact CD1-CD1 4.26Å; L80-L94 HydrophobicContact CD2-CB 3.83Å; L80-L94 HydrophobicContact CD2-CD1 4.3Å; K85-L94 CarbonylContact C-O 3.56Å; K85-L94 WeakPolarHBondContact CA-O 3.35Å; K85-L94 VanDerWaalsContact CB-O 3.28Å; K85-L94 WeakPolarHBondContact CB-O 3.38Å; K85-L94 PolarHBondContact O-N 2.87Å; C87-L94 HydrophobicContact CB-CD1 3.94Å; C87-L94 HydrophobicContact CB-CG 4.15Å; K92-L94 PolarHBondContact O-N 2.88Å; L94-S96 PolarHBondContact O-N 2.94Å; L94-L100 HydrophobicContact CD1-CD2 4.27Å
95	V	93.8	Very high	96.7	Very high	88 Å²	88	84.8 Å²	84.8	53%	0.533	41%	0.414	S	S	.	.			trans	-62	-42.5	-172.4	179.9	0	0	0	0	112	K93 S99	K93-V95 HydrophobicContact CG-CG2 4.49Å; V95-S99 PolarHBondContact N-OG 3.41Å
96	S	94.5	Very high	96.8	Very high	44 Å²	44	81.9 Å²	81.9	31%	0.308	40%	0.402	S	S	.	.	S	Bend	trans	-166.4	-172.2	177.3	70.3	0	0	0	0	110.6	L94 R98 S99	L94-S96 PolarHBondContact O-N 2.94Å; S96-R98 PolarHBondContact O-N 3.5Å; S96-R98 WeakPolarHBondContact OG-CG 3.47Å; S96-R98 PolarHBondContact OG-N 3.41Å; S96-S99 WeakPolarHBondContact O-CB 3.41Å; S96-S99 PolarHBondContact O-N 2.74Å
97	K	94.9	Very high	96.7	Very high	130 Å²	130	80 Å²	80	57%	0.565	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-51.3	-26	170.4	-172.2	175.9	178.4	178.9	0	112.8	I77 S99 L100	I77-K97 HydrophobicContact CD1-CD 4.37Å; K97-S99 PolarHBondContact O-N 3.37Å; K97-L100 WeakPolarHBondContact O-CB 3.27Å; K97-L100 PolarHBondContact O-N 3.02Å
98	R	96.5	Very high	96.6	Very high	186 Å²	186	82.2 Å²	82.2	70%	0.702	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-66	-19.6	176.7	89.2	-171.7	-59.1	-79.3	0.9	114	K65 S96 L100	K65-R98 WeakPolarHBondContact CE-O 3.48Å; K65-R98 PolarHBondContact NZ-O 3.23Å; S96-R98 PolarHBondContact O-N 3.5Å; S96-R98 WeakPolarHBondContact OG-CG 3.47Å; S96-R98 PolarHBondContact OG-N 3.41Å; R98-L100 PolarHBondContact O-N 3.38Å
99	S	96.9	Very high	96.4	Very high	21 Å²	21	83.4 Å²	83.4	15%	0.147	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-78.3	-1.4	174.8	-61.7	0	0	0	0	112.4	K65 V95 S96 K97	K65-S99 WeakPolarHBondContact CG-O 3.45Å; K65-S99 PolarHBondContact N-O 2.94Å; V95-S99 PolarHBondContact N-OG 3.41Å; S96-S99 WeakPolarHBondContact O-CB 3.41Å; S96-S99 PolarHBondContact O-N 2.74Å; K97-S99 PolarHBondContact O-N 3.37Å
100	L	97.9	Very high	96.1	Very high	7 Å²	7	80.4 Å²	80.4	4%	0.037	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	163.5	179.9	-49.5	174.2	0	0	0	111.1	M62 T63 T64 I76 L80 L94 K97 R98	M62-L100 HydrophobicContact CE-CB 3.66Å; M62-L100 HydrophobicContact CE-CD1 4.07Å; T63-L100 CarbonylContact O-C 3.44Å; T63-L100 VanDerWaalsContact O-CA 3.31Å; T63-L100 WeakPolarHBondContact O-CA 3.43Å; T64-L100 HydrophobicContact CG2-CD2 3.59Å; I76-L100 HydrophobicContact CB-CD1 4.38Å; I76-L100 HydrophobicContact CG1-CD1 3.7Å; I76-L100 HydrophobicContact CG1-CD2 4.15Å; I76-L100 HydrophobicContact CG2-CD1 3.7Å; L80-L100 HydrophobicContact CD1-CD1 3.93Å; L94-L100 HydrophobicContact CD1-CD2 4.27Å; K97-L100 WeakPolarHBondContact O-CB 3.27Å; K97-L100 PolarHBondContact O-N 3.02Å; R98-L100 PolarHBondContact O-N 3.38Å
101	R	98.2	Very high	95.8	Very high	159 Å²	159	81.5 Å²	81.5	60%	0.6	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.4	143.4	167.7	-70.1	-66.8	-165.1	136.2	-1.7	109.5	M62 T63 K65	M62-R101 CarbonylContact C-O 3.59Å; M62-R101 WeakPolarHBondContact CA-O 3.4Å; T63-R101 PolarHBondContact N-O 3.03Å; T63-R101 PolarHBondContact O-N 3.43Å; K65-R101 HydrophobicContact CG-CG 4.27Å
102	P	98.4	Very high	95.5	Very high	92 Å²	92	78 Å²	78	60%	0.597	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	145.8	163.9	29.5	-33.4	0	0	0	109.9	T61 M62 P104	T61-P102 CarbonylContact O-C 3.58Å; T61-P102 WeakPolarHBondContact O-CA 3.39Å; M62-P102 HydrophobicContact SD-CB 4.03Å; P102-P104 WeakPolarHBondContact O-CD 3.43Å
103	D	98.3	Very high	95.1	Very high	30 Å²	30	73.5 Å²	73.5	16%	0.16	38%	0.376	C	S	.	.			trans	-122.5	72.9	-179.5	-164.6	-13.6	0	0	0	110.7	T61 T63 R70 N105 F106 D107	T61-D103 HydrophobicContact CG2-CB 4.1Å; T61-D103 PolarHBondContact O-N 3.14Å; T63-D103 WeakPolarHBondContact OG1-CB 3.33Å; T63-D103 PolarHBondContact OG1-OD2 3.39Å; R70-D103 IonicContact CZ-OD2 3.93Å; R70-D103 IonicContact NE-OD2 3.4Å; R70-D103 PolarHBondContact NE-OD2 3.38Å; R70-D103 IonicContact NH2-OD2 3.53Å; D103-N105 PolarHBondContact O-N 3.07Å; D103-F106 HydrophobicContact CB-CB 4.12Å; D103-F106 VanDerWaalsContact CG-CB 3.47Å; D103-F106 PolarHBondContact O-N 3.28Å; D103-F106 VanDerWaalsContact O-N 3.14Å; D103-F106 PolarHBondContact OD1-N 3.04Å; D103-D107 PolarHBondContact O-N 3.01Å
104	P	97.4	Very high	94.6	Very high	84 Å²	84	66.4 Å²	66.4	55%	0.545	35%	0.345	S	S	.	.	H	α-helix	trans	-66.1	-24.2	-176.5	27.4	-35.5	0	0	0	112.9	P102 F106 D107 A108	P102-P104 WeakPolarHBondContact O-CD 3.43Å; P104-F106 VanDerWaalsContact C-N 3.34Å; P104-D107 PolarHBondContact O-N 3.01Å; P104-A108 WeakPolarHBondContact O-CB 3.33Å; P104-A108 PolarHBondContact O-N 3.34Å
105	N	97.3	Very high	93.8	Very high	133 Å²	133	71.2 Å²	71.2	71%	0.711	38%	0.375	S	S	*	.	H	α-helix	trans	-67.2	-39	175.1	-69.4	-17.3	0	0	0	110.7	D103 A108 L109	D103-N105 PolarHBondContact O-N 3.07Å; N105-A108 PolarHBondContact O-N 2.86Å; N105-L109 WeakPolarHBondContact O-CB 3.49Å; N105-L109 PolarHBondContact O-N 3.04Å
106	F	97	Very high	93	Very high	28 Å²	28	69.9 Å²	69.9	12%	0.123	37%	0.37	C	S	.	.	H	α-helix	trans	-69.8	-40	175.9	-156.7	-98.1	0	0	0	112	L49 L58 T61 D103 P104 A108 L109 I110	L49-F106 HydrophobicContact CD2-CE1 3.91Å; L49-F106 HydrophobicContact CD2-CZ 3.66Å; L58-F106 HydrophobicContact CD1-CD1 4.19Å; L58-F106 HydrophobicContact CD1-CE1 3.57Å; L58-F106 HydrophobicContact CD1-CZ 4.49Å; T61-F106 HydrophobicContact CG2-CB 4.49Å; T61-F106 HydrophobicContact CG2-CD1 4.05Å; D103-F106 HydrophobicContact CB-CB 4.12Å; D103-F106 VanDerWaalsContact CG-CB 3.47Å; D103-F106 PolarHBondContact O-N 3.28Å; D103-F106 VanDerWaalsContact O-N 3.14Å; D103-F106 PolarHBondContact OD1-N 3.04Å; P104-F106 VanDerWaalsContact C-N 3.34Å; F106-A108 VanDerWaalsContact C-N 3.33Å; F106-A108 PolarHBondContact O-N 3.24Å; F106-L109 WeakPolarHBondContact O-CB 3.47Å; F106-L109 PolarHBondContact O-N 2.77Å; F106-I110 HydrophobicContact CD1-CD1 3.64Å; F106-I110 HydrophobicContact CD1-CG1 4.22Å; F106-I110 HydrophobicContact CE1-CD1 3.75Å; F106-I110 HydrophobicContact CE1-CG1 4.22Å; F106-I110 WeakPolarHBondContact O-CG1 3.33Å; F106-I110 PolarHBondContact O-N 2.94Å
107	D	95.5	Very high	92	Very high	38 Å²	38	69.6 Å²	69.6	20%	0.203	36%	0.362	C	S	.	.	H	α-helix	trans	-61.8	-40.6	173.2	-70	-26.5	0	0	0	111.8	N60 T61 D103 P104 I110 S111	N60-D107 WeakPolarHBondContact CA-OD2 3.48Å; T61-D107 WeakPolarHBondContact CB-OD1 3.45Å; T61-D107 PolarHBondContact N-OD1 3.13Å; T61-D107 PolarHBondContact N-OD2 3.36Å; T61-D107 PolarHBondContact OG1-OD1 2.88Å; D103-D107 PolarHBondContact O-N 3.01Å; P104-D107 PolarHBondContact O-N 3.01Å; D107-I110 PolarHBondContact O-N 3.28Å; D107-S111 WeakPolarHBondContact O-CB 3.48Å; D107-S111 PolarHBondContact O-N 3.4Å; D107-S111 PolarHBondContact O-OG 3.45Å
108	A	94.6	Very high	91	Very high	47 Å²	47	69.8 Å²	69.8	39%	0.388	37%	0.37	S	S	.	.	H	α-helix	trans	-66.4	-37.1	175.6	0	0	0	0	0	112.2	P104 N105 F106 S111 K112	P104-A108 WeakPolarHBondContact O-CB 3.33Å; P104-A108 PolarHBondContact O-N 3.34Å; N105-A108 PolarHBondContact O-N 2.86Å; F106-A108 VanDerWaalsContact C-N 3.33Å; F106-A108 PolarHBondContact O-N 3.24Å; A108-S111 PolarHBondContact O-N 3.19Å; A108-K112 WeakPolarHBondContact O-CG 3.46Å; A108-K112 PolarHBondContact O-N 2.73Å
109	L	92.9	Very high	90.1	Very high	85 Å²	85	67.5 Å²	67.5	45%	0.445	37%	0.367	S	S	.	.	H	α-helix	trans	-63.3	-48.4	173.1	176.7	61.9	0	0	0	110.9	N105 F106 S111 K112 I113	N105-L109 WeakPolarHBondContact O-CB 3.49Å; N105-L109 PolarHBondContact O-N 3.04Å; F106-L109 WeakPolarHBondContact O-CB 3.47Å; F106-L109 PolarHBondContact O-N 2.77Å; L109-S111 VanDerWaalsContact C-N 3.27Å; L109-S111 PolarHBondContact O-N 3.41Å; L109-K112 PolarHBondContact O-N 3.46Å; L109-K112 VanDerWaalsContact O-N 3.12Å; L109-I113 HydrophobicContact CD1-CD1 3.94Å; L109-I113 HydrophobicContact CD1-CG1 4.24Å; L109-I113 HydrophobicContact CD2-CD1 4.5Å; L109-I113 HydrophobicContact CG-CD1 3.75Å; L109-I113 HydrophobicContact CG-CG1 4.47Å; L109-I113 WeakPolarHBondContact O-CD1 3.24Å; L109-I113 VanDerWaalsContact O-CG1 3.24Å; L109-I113 WeakPolarHBondContact O-CG1 3.49Å; L109-I113 PolarHBondContact O-N 2.92Å
110	I	91.9	Very high	89	Confident	5 Å²	5	69.1 Å²	69.1	3%	0.026	37%	0.37	C	S	.	.	H	α-helix	trans	-56.2	-44.4	175.3	-69.5	165.8	0	0	0	110.7	L49 M57 L58 F106 D107 K112 I113 Y114	L49-I110 HydrophobicContact CD2-CG1 3.96Å; M57-I110 HydrophobicContact CG-CG2 4.02Å; M57-I110 HydrophobicContact SD-CG2 3.52Å; M57-I110 VanDerWaalsContact SD-CG2 3.52Å; L58-I110 HydrophobicContact CB-CD1 3.83Å; F106-I110 HydrophobicContact CD1-CD1 3.64Å; F106-I110 HydrophobicContact CD1-CG1 4.22Å; F106-I110 HydrophobicContact CE1-CD1 3.75Å; F106-I110 HydrophobicContact CE1-CG1 4.22Å; F106-I110 WeakPolarHBondContact O-CG1 3.33Å; F106-I110 PolarHBondContact O-N 2.94Å; D107-I110 PolarHBondContact O-N 3.28Å; I110-K112 VanDerWaalsContact C-N 3.29Å; I110-K112 PolarHBondContact O-N 3.46Å; I110-I113 PolarHBondContact O-N 3.38Å; I110-Y114 PolarHBondContact O-N 3.03Å
111	S	90.9	Very high	88	Confident	73 Å²	73	70.9 Å²	70.9	51%	0.51	38%	0.378	S	S	.	.	H	α-helix	trans	-66.1	-30.5	-179.8	-54.2	0	0	0	0	112.8	D107 A108 L109 Y114 P115	D107-S111 WeakPolarHBondContact O-CB 3.48Å; D107-S111 PolarHBondContact O-N 3.4Å; D107-S111 PolarHBondContact O-OG 3.45Å; A108-S111 PolarHBondContact O-N 3.19Å; L109-S111 VanDerWaalsContact C-N 3.27Å; L109-S111 PolarHBondContact O-N 3.41Å; S111-Y114 CarbonylContact O-C 3.38Å; S111-P115 WeakPolarHBondContact O-CA 3.37Å
112	K	89.1	Confident	87.1	Confident	119 Å²	119	65.2 Å²	65.2	52%	0.517	37%	0.365	S	S	.	.	H	α-helix	trans	-75.4	-34.7	173.9	-74.2	177.3	178.2	-178.8	0	112.4	A108 L109 I110 H233	A108-K112 WeakPolarHBondContact O-CG 3.46Å; A108-K112 PolarHBondContact O-N 2.73Å; L109-K112 PolarHBondContact O-N 3.46Å; L109-K112 VanDerWaalsContact O-N 3.12Å; I110-K112 VanDerWaalsContact C-N 3.29Å; I110-K112 PolarHBondContact O-N 3.46Å; K112-H233 PolarHBondContact NZ-CD2 3.17Å; K112-H233 PolarHBondContact NZ-NE2 3.12Å
113	I	87.8	Confident	86.3	Confident	12 Å²	12	64.7 Å²	64.7	6%	0.062	36%	0.355	C	S	.	.	H	α-helix	trans	-72.3	-42.8	175.9	-60.7	160.2	0	0	0	110.7	L45 L49 L109 I110 P115 L228 F230	L45-I113 HydrophobicContact CD1-CD1 4.34Å; L45-I113 HydrophobicContact CD1-CG2 4.02Å; L49-I113 HydrophobicContact CD1-CD1 3.88Å; L49-I113 HydrophobicContact CD1-CG2 4.48Å; L49-I113 HydrophobicContact CD2-CD1 4.4Å; L109-I113 HydrophobicContact CD1-CD1 3.94Å; L109-I113 HydrophobicContact CD1-CG1 4.24Å; L109-I113 HydrophobicContact CD2-CD1 4.5Å; L109-I113 HydrophobicContact CG-CD1 3.75Å; L109-I113 HydrophobicContact CG-CG1 4.47Å; L109-I113 WeakPolarHBondContact O-CD1 3.24Å; L109-I113 VanDerWaalsContact O-CG1 3.24Å; L109-I113 WeakPolarHBondContact O-CG1 3.49Å; L109-I113 PolarHBondContact O-N 2.92Å; I110-I113 PolarHBondContact O-N 3.38Å; I113-P115 WeakPolarHBondContact O-CD 3.35Å; I113-L228 HydrophobicContact CG2-CD1 4.15Å; I113-F230 VanDerWaalsContact CA-CE1 3.44Å; I113-F230 HydrophobicContact CB-CE1 3.71Å; I113-F230 HydrophobicContact CB-CZ 3.7Å; I113-F230 HydrophobicContact CG1-CE1 3.33Å; I113-F230 HydrophobicContact CG1-CZ 3.52Å; I113-F230 HydrophobicContact CG2-CE1 3.97Å; I113-F230 HydrophobicContact CG2-CE2 4.28Å; I113-F230 HydrophobicContact CG2-CZ 3.39Å
114	Y	86.3	Confident	85.3	Confident	14 Å²	14	67.7 Å²	67.7	6%	0.055	37%	0.368	C	S	.	.			trans	-124.9	77.5	-177.9	-63.7	-84.8	0	0	0	110.4	P42 L49 M57 I110 S111 S116 L228	P42-Y114 WeakPolarHBondContact CA-OH 3.42Å; P42-Y114 HydrophobicContact CB-CE1 4.37Å; P42-Y114 PolarHBondContact O-OH 2.8Å; L49-Y114 HydrophobicContact CD1-CD2 4.35Å; L49-Y114 HydrophobicContact CD1-CE2 3.66Å; M57-Y114 HydrophobicContact CE-CD1 3.88Å; M57-Y114 HydrophobicContact CE-CD2 3.44Å; M57-Y114 VanDerWaalsContact CE-CD2 3.44Å; M57-Y114 HydrophobicContact CE-CE1 3.95Å; M57-Y114 HydrophobicContact CE-CE2 3.58Å; M57-Y114 HydrophobicContact CE-CG 3.63Å; M57-Y114 HydrophobicContact SD-CD2 3.86Å; M57-Y114 HydrophobicContact SD-CE2 4.43Å; M57-Y114 HydrophobicContact SD-CG 4.18Å; I110-Y114 PolarHBondContact O-N 3.03Å; S111-Y114 CarbonylContact O-C 3.38Å; Y114-S116 VanDerWaalsContact C-N 3.29Å; Y114-S116 PolarHBondContact O-N 2.93Å; Y114-L228 HydrophobicContact CD1-CD1 3.64Å; Y114-L228 HydrophobicContact CD1-CD2 3.97Å; Y114-L228 HydrophobicContact CD1-CG 4.44Å; Y114-L228 HydrophobicContact CE1-CD1 3.2Å; Y114-L228 HydrophobicContact CE1-CD2 4.28Å; Y114-L228 HydrophobicContact CE1-CG 4.29Å; Y114-L228 HydrophobicContact CE2-CD1 4.33Å; Y114-L228 HydrophobicContact CG-CD1 4.38Å
115	P	80.7	Confident	84.7	Confident	100 Å²	100	70.4 Å²	70.4	65%	0.649	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-36.4	-178.1	-22.8	33.8	0	0	0	113.3	S111 I113	S111-P115 WeakPolarHBondContact O-CA 3.37Å; I113-P115 WeakPolarHBondContact O-CD 3.35Å
116	S	76.9	Confident	84.1	Confident	61 Å²	61	70.9 Å²	70.9	43%	0.427	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	57	-176.3	-45.3	0	0	0	0	111.6	Y114 D118 E119 Y120	Y114-S116 VanDerWaalsContact C-N 3.29Å; Y114-S116 PolarHBondContact O-N 2.93Å; S116-D118 VanDerWaalsContact C-N 3.34Å; S116-D118 PolarHBondContact O-N 3.04Å; S116-E119 VanDerWaalsContact CB-OE2 3.23Å; S116-E119 WeakPolarHBondContact CB-OE2 3.5Å; S116-E119 PolarHBondContact O-N 2.9Å; S116-E119 PolarHBondContact OG-OE2 3.12Å; S116-Y120 PolarHBondContact O-N 3.38Å; S116-Y120 VanDerWaalsContact O-N 3.07Å
117	R	73.4	Confident	83.6	Confident	37 Å²	37	72.3 Å²	72.3	14%	0.14	38%	0.376	C	S	.	.	H	α-helix	trans	-59.9	-42.1	-176	-176.9	166	176.8	173.2	2.6	113.5	M57 L58 K59 E119 Y120 E121	M57-R117 PolarHBondContact O-NH2 3.47Å; M57-R117 HydrophobicContact SD-CG 4.42Å; M57-R117 VanDerWaalsContact SD-CZ 3.57Å; L58-R117 PolarHBondContact O-NH1 3.11Å; K59-R117 VanDerWaalsContact CE-CZ 3.42Å; K59-R117 VanDerWaalsContact CG-NH2 3.3Å; R117-E119 VanDerWaalsContact C-N 3.26Å; R117-E119 PolarHBondContact O-N 2.6Å; R117-Y120 WeakPolarHBondContact O-CB 3.36Å; R117-Y120 PolarHBondContact O-N 3.34Å; R117-Y120 VanDerWaalsContact O-N 3.17Å; R117-E121 HydrophobicContact CG-CG 4.4Å; R117-E121 IonicContact CZ-OE1 2.88Å; R117-E121 IonicContact NE-OE1 3.65Å; R117-E121 PolarHBondContact NE-OE1 3.33Å; R117-E121 IonicContact NH2-OE1 3.81Å; R117-E121 PolarHBondContact NH2-OE1 2.8Å; R117-E121 PolarHBondContact O-N 2.78Å
118	D	73.3	Confident	83	Confident	134 Å²	134	75.4 Å²	75.4	72%	0.717	39%	0.392	S	S	*	.	H	α-helix	trans	-63.5	-34.8	179	-64.4	-22.5	0	0	0	111.6	S116 A122	S116-D118 VanDerWaalsContact C-N 3.34Å; S116-D118 PolarHBondContact O-N 3.04Å; D118-A122 WeakPolarHBondContact O-CB 3.32Å; D118-A122 PolarHBondContact O-N 3.27Å
119	E	78.3	Confident	82.6	Confident	139 Å²	139	75.8 Å²	75.8	65%	0.65	40%	0.395	S	S	*	.	H	α-helix	trans	-68.7	-40.1	175.1	-61.9	-177.1	166.8	0	0	111.5	S116 R117 H123	S116-E119 VanDerWaalsContact CB-OE2 3.23Å; S116-E119 WeakPolarHBondContact CB-OE2 3.5Å; S116-E119 PolarHBondContact O-N 2.9Å; S116-E119 PolarHBondContact OG-OE2 3.12Å; R117-E119 VanDerWaalsContact C-N 3.26Å; R117-E119 PolarHBondContact O-N 2.6Å; E119-H123 VanDerWaalsContact O-CB 3.3Å; E119-H123 WeakPolarHBondContact O-CB 3.36Å; E119-H123 PolarHBondContact O-N 3.19Å
120	Y	72.5	Confident	82.1	Confident	54 Å²	54	78.8 Å²	78.8	21%	0.212	40%	0.401	C	S	.	.	H	α-helix	trans	-65	-48.2	175.8	-174.7	-97.1	0	0	0	111.6	S116 R117 H123 Q124 I226	S116-Y120 PolarHBondContact O-N 3.38Å; S116-Y120 VanDerWaalsContact O-N 3.07Å; R117-Y120 WeakPolarHBondContact O-CB 3.36Å; R117-Y120 PolarHBondContact O-N 3.34Å; R117-Y120 VanDerWaalsContact O-N 3.17Å; Y120-H123 WeakPolarHBondContact O-CB 3.45Å; Y120-H123 PolarHBondContact O-N 3.14Å; Y120-Q124 HydrophobicContact CD1-CG 4.29Å; Y120-Q124 HydrophobicContact CE1-CG 3.96Å; Y120-Q124 WeakPolarHBondContact O-CG 3.39Å; Y120-Q124 PolarHBondContact O-N 3.28Å; Y120-I226 HydrophobicContact CD2-CD1 3.75Å; Y120-I226 HydrophobicContact CE2-CD1 4.44Å
121	E	76.9	Confident	81.7	Confident	44 Å²	44	82.9 Å²	82.9	21%	0.206	42%	0.422	C	S	.	.	H	α-helix	trans	-61.1	-45.7	176.5	-74.3	-177.7	-164.1	0	0	111	K59 R117 H123 Q124 E125	K59-E121 WeakPolarHBondContact CE-OE1 3.08Å; K59-E121 IonicContact NZ-OE1 3.06Å; K59-E121 PolarHBondContact NZ-OE1 2.87Å; K59-E121 IonicContact NZ-OE2 2.82Å; K59-E121 PolarHBondContact NZ-OE2 3.13Å; R117-E121 HydrophobicContact CG-CG 4.4Å; R117-E121 IonicContact CZ-OE1 2.88Å; R117-E121 IonicContact NE-OE1 3.65Å; R117-E121 PolarHBondContact NE-OE1 3.33Å; R117-E121 IonicContact NH2-OE1 3.81Å; R117-E121 PolarHBondContact NH2-OE1 2.8Å; R117-E121 PolarHBondContact O-N 2.78Å; E121-H123 VanDerWaalsContact C-N 3.29Å; E121-H123 PolarHBondContact O-N 2.84Å; E121-Q124 PolarHBondContact O-N 3.4Å; E121-E125 WeakPolarHBondContact O-CB 3.31Å; E121-E125 PolarHBondContact O-N 2.74Å
122	A	80.6	Confident	81.1	Confident	40 Å²	40	83.4 Å²	83.4	33%	0.331	42%	0.419	S	S	.	.	H	α-helix	trans	-63.9	-33	176.2	0	0	0	0	0	112.9	D118 R126	D118-A122 WeakPolarHBondContact O-CB 3.32Å; D118-A122 PolarHBondContact O-N 3.27Å; A122-R126 VanDerWaalsContact O-CB 3.3Å; A122-R126 WeakPolarHBondContact O-CB 3.47Å; A122-R126 PolarHBondContact O-N 3.4Å; A122-R126 VanDerWaalsContact O-N 3.08Å; A122-R126 PolarHBondContact O-NH1 3.05Å
123	H	80.6	Confident	80.4	Confident	82 Å²	82	86.1 Å²	86.1	38%	0.38	43%	0.431	S	S	.	.	H	α-helix	trans	-67.8	-48	173.6	-171.5	88.4	0	0	0	111.1	E119 Y120 E121 E125 R126 V127	E119-H123 VanDerWaalsContact O-CB 3.3Å; E119-H123 WeakPolarHBondContact O-CB 3.36Å; E119-H123 PolarHBondContact O-N 3.19Å; Y120-H123 WeakPolarHBondContact O-CB 3.45Å; Y120-H123 PolarHBondContact O-N 3.14Å; E121-H123 VanDerWaalsContact C-N 3.29Å; E121-H123 PolarHBondContact O-N 2.84Å; H123-E125 VanDerWaalsContact C-N 3.35Å; H123-E125 PolarHBondContact O-N 2.77Å; H123-R126 PolarHBondContact O-N 3.18Å; H123-V127 WeakPolarHBondContact O-CG2 3Å; H123-V127 PolarHBondContact O-N 3.04Å
124	Q	78.1	Confident	79.5	Confident	92 Å²	92	92.7 Å²	92.7	43%	0.43	46%	0.46	S	S	.	.	H	α-helix	trans	-59.8	-44.6	176.8	-71.4	-167.4	-74	0	0	111.9	Y120 E121 R126 V127 L128	Y120-Q124 HydrophobicContact CD1-CG 4.29Å; Y120-Q124 HydrophobicContact CE1-CG 3.96Å; Y120-Q124 WeakPolarHBondContact O-CG 3.39Å; Y120-Q124 PolarHBondContact O-N 3.28Å; E121-Q124 PolarHBondContact O-N 3.4Å; Q124-R126 VanDerWaalsContact C-N 3.33Å; Q124-R126 PolarHBondContact O-N 3.01Å; Q124-V127 PolarHBondContact O-N 3.24Å; Q124-L128 WeakPolarHBondContact O-CB 3.15Å; Q124-L128 PolarHBondContact O-N 3.05Å
125	E	84.3	Confident	78.8	Confident	142 Å²	142	97.1 Å²	97.1	66%	0.664	49%	0.485	S	S	*	.	H	α-helix	trans	-61.1	-42.4	177.2	-172.7	177	-162.5	0	0	111.3	E121 H123 V127 L128 A129	E121-E125 WeakPolarHBondContact O-CB 3.31Å; E121-E125 PolarHBondContact O-N 2.74Å; H123-E125 VanDerWaalsContact C-N 3.35Å; H123-E125 PolarHBondContact O-N 2.77Å; E125-V127 PolarHBondContact O-N 2.99Å; E125-L128 PolarHBondContact O-N 2.86Å; E125-A129 VanDerWaalsContact O-CB 3.23Å; E125-A129 WeakPolarHBondContact O-CB 3.41Å; E125-A129 PolarHBondContact O-N 3.25Å
126	R	85.3	Confident	78.5	Confident	143 Å²	143	97.4 Å²	97.4	54%	0.54	48%	0.481	S	S	.	.	H	α-helix	trans	-63.2	-40.3	176.9	-171.2	-177.4	-67.8	103.8	-4.1	112.3	A122 H123 Q124 R130	A122-R126 VanDerWaalsContact O-CB 3.3Å; A122-R126 WeakPolarHBondContact O-CB 3.47Å; A122-R126 PolarHBondContact O-N 3.4Å; A122-R126 VanDerWaalsContact O-N 3.08Å; A122-R126 PolarHBondContact O-NH1 3.05Å; H123-R126 PolarHBondContact O-N 3.18Å; Q124-R126 VanDerWaalsContact C-N 3.33Å; Q124-R126 PolarHBondContact O-N 3.01Å; R126-R130 WeakPolarHBondContact O-CB 3.39Å; R126-R130 PolarHBondContact O-N 3.12Å
127	V	85	Confident	78.3	Confident	58 Å²	58	100.1 Å²	100.1	35%	0.352	49%	0.487	S	S	.	.	H	α-helix	trans	-67.2	-46.6	176.3	173.1	0	0	0	0	110.6	H123 Q124 E125 A129 R130 I131	H123-V127 WeakPolarHBondContact O-CG2 3Å; H123-V127 PolarHBondContact O-N 3.04Å; Q124-V127 PolarHBondContact O-N 3.24Å; E125-V127 PolarHBondContact O-N 2.99Å; V127-A129 PolarHBondContact O-N 2.71Å; V127-R130 WeakPolarHBondContact O-CB 3.44Å; V127-R130 PolarHBondContact O-N 3.21Å; V127-R130 VanDerWaalsContact O-N 3.15Å; V127-I131 HydrophobicContact CG1-CD1 4.04Å; V127-I131 WeakPolarHBondContact O-CG1 3.35Å; V127-I131 PolarHBondContact O-N 3.44Å
128	L	83.8	Confident	78.5	Confident	102 Å²	102	106.2 Å²	106.2	53%	0.534	52%	0.517	S	S	.	.	H	α-helix	trans	-63.4	-42.7	179	-173.4	66.1	0	0	0	111.8	Q124 E125 R130 I131 N132	Q124-L128 WeakPolarHBondContact O-CB 3.15Å; Q124-L128 PolarHBondContact O-N 3.05Å; E125-L128 PolarHBondContact O-N 2.86Å; L128-R130 VanDerWaalsContact C-N 3.28Å; L128-R130 PolarHBondContact O-N 3.18Å; L128-I131 PolarHBondContact O-N 2.94Å; L128-N132 WeakPolarHBondContact O-CB 3.4Å; L128-N132 PolarHBondContact O-N 3.39Å
129	A	85.2	Confident	78.8	Confident	55 Å²	55	102 Å²	102	46%	0.455	50%	0.501	S	S	.	.	H	α-helix	trans	-60.4	-39	174.3	0	0	0	0	0	111.6	E125 V127 K133	E125-A129 VanDerWaalsContact O-CB 3.23Å; E125-A129 WeakPolarHBondContact O-CB 3.41Å; E125-A129 PolarHBondContact O-N 3.25Å; V127-A129 PolarHBondContact O-N 2.71Å; A129-K133 VanDerWaalsContact O-CB 3.29Å; A129-K133 WeakPolarHBondContact O-CB 3.33Å; A129-K133 PolarHBondContact O-N 3.18Å
130	R	83.7	Confident	79.1	Confident	149 Å²	149	100.3 Å²	100.3	56%	0.562	50%	0.496	S	S	*	.	H	α-helix	trans	-63.5	-47.7	174	-173.4	-179.4	-65.3	161.3	-0.6	111	R126 V127 L128 K133 H134	R126-R130 WeakPolarHBondContact O-CB 3.39Å; R126-R130 PolarHBondContact O-N 3.12Å; V127-R130 WeakPolarHBondContact O-CB 3.44Å; V127-R130 PolarHBondContact O-N 3.21Å; V127-R130 VanDerWaalsContact O-N 3.15Å; L128-R130 VanDerWaalsContact C-N 3.28Å; L128-R130 PolarHBondContact O-N 3.18Å; R130-K133 PolarHBondContact O-N 2.97Å; R130-H134 PolarHBondContact O-N 3.47Å; R130-H134 VanDerWaalsContact O-N 3.07Å; R130-H134 PolarHBondContact O-ND1 3.36Å
131	I	82.3	Confident	79.7	Confident	91 Å²	91	100.9 Å²	100.9	47%	0.467	51%	0.508	S	S	.	.	H	α-helix	trans	-60.5	-49.9	178.8	-67.4	168.1	0	0	0	110.5	V127 L128 K133 H134 N135	V127-I131 HydrophobicContact CG1-CD1 4.04Å; V127-I131 WeakPolarHBondContact O-CG1 3.35Å; V127-I131 PolarHBondContact O-N 3.44Å; L128-I131 PolarHBondContact O-N 2.94Å; I131-K133 PolarHBondContact O-N 3.45Å; I131-H134 PolarHBondContact O-N 3.28Å; I131-H134 VanDerWaalsContact O-N 3.08Å; I131-N135 WeakPolarHBondContact O-CB 3.33Å; I131-N135 PolarHBondContact O-N 2.91Å
132	N	78.6	Confident	80.3	Confident	83 Å²	83	104.2 Å²	104.2	44%	0.444	52%	0.523	S	S	.	.	H	α-helix	trans	-59.6	-32.7	178.6	-76.9	-18.5	0	0	0	112.8	L128	L128-N132 WeakPolarHBondContact O-CB 3.4Å; L128-N132 PolarHBondContact O-N 3.39Å
133	K	75.5	Confident	80.8	Confident	177 Å²	177	106.1 Å²	106.1	77%	0.77	53%	0.534	S	S	*	.	H	α-helix	trans	-72.9	-33.5	176.4	-173.3	177.2	179.6	-179	0	113.3	A129 R130 I131	A129-K133 VanDerWaalsContact O-CB 3.29Å; A129-K133 WeakPolarHBondContact O-CB 3.33Å; A129-K133 PolarHBondContact O-N 3.18Å; R130-K133 PolarHBondContact O-N 2.97Å; I131-K133 PolarHBondContact O-N 3.45Å
134	H	67.7	Low	81.4	Confident	149 Å²	149	106.7 Å²	106.7	69%	0.69	54%	0.539	S	S	*	.	H	α-helix	trans	-92.8	-14.6	-178.7	-67.4	80.1	0	0	0	113	R130 I131	R130-H134 PolarHBondContact O-N 3.47Å; R130-H134 VanDerWaalsContact O-N 3.07Å; R130-H134 PolarHBondContact O-ND1 3.36Å; I131-H134 PolarHBondContact O-N 3.28Å; I131-H134 VanDerWaalsContact O-N 3.08Å
135	N	71.7	Confident	82.2	Confident	108 Å²	108	108.4 Å²	108.4	58%	0.578	55%	0.547	S	S	*	.	S	Bend	trans	-69.8	143	170.1	-144.6	-14.3	0	0	0	108.9	I131 Q137	I131-N135 WeakPolarHBondContact O-CB 3.33Å; I131-N135 PolarHBondContact O-N 2.91Å; N135-Q137 PolarHBondContact O-N 3.06Å
136	N	74	Confident	82.5	Confident	106 Å²	106	105.1 Å²	105.1	57%	0.567	53%	0.531	S	S	*	.			trans	-74.9	46	-171.2	-162.3	4.6	0	0	0	113	Q138 A139 L140	N136-Q138 PolarHBondContact O-N 2.97Å; N136-A139 VanDerWaalsContact ND2-CB 3.29Å; N136-A139 WeakPolarHBondContact ND2-CB 3.28Å; N136-A139 PolarHBondContact O-N 2.78Å; N136-A139 WeakPolarHBondContact OD1-CB 3.43Å; N136-A139 PolarHBondContact OD1-N 3.05Å; N136-L140 WeakPolarHBondContact O-CB 3.34Å; N136-L140 PolarHBondContact O-N 2.95Å
137	Q	74.4	Confident	82.9	Confident	117 Å²	117	99.5 Å²	99.5	55%	0.547	52%	0.518	S	S	.	.	H	α-helix	trans	-53.5	-40.1	-179.6	-169.9	93.7	51.4	0	0	110.5	N135 S141	N135-Q137 PolarHBondContact O-N 3.06Å; Q137-S141 WeakPolarHBondContact O-CB 3.22Å; Q137-S141 PolarHBondContact O-N 3.31Å; Q137-S141 PolarHBondContact O-OG 3.46Å
138	Q	75.9	Confident	83.4	Confident	166 Å²	166	101.8 Å²	101.8	78%	0.776	53%	0.528	S	S	*	.	H	α-helix	trans	-69.7	-45.2	-178	-67.4	-176.5	-4	0	0	112.9	N136 L140 S141 H142	N136-Q138 PolarHBondContact O-N 2.97Å; Q138-L140 VanDerWaalsContact C-N 3.35Å; Q138-S141 WeakPolarHBondContact CA-OG 3.26Å; Q138-S141 PolarHBondContact O-OG 3.05Å; Q138-H142 WeakPolarHBondContact O-CB 3.39Å; Q138-H142 PolarHBondContact O-N 3.2Å
139	A	81.1	Confident	83.9	Confident	46 Å²	46	102.2 Å²	102.2	38%	0.38	53%	0.525	S	S	.	.	H	α-helix	trans	-71.7	-33.4	176.6	0	0	0	0	0	111.7	N136 H142 S143	N136-A139 VanDerWaalsContact ND2-CB 3.29Å; N136-A139 WeakPolarHBondContact ND2-CB 3.28Å; N136-A139 PolarHBondContact O-N 2.78Å; N136-A139 WeakPolarHBondContact OD1-CB 3.43Å; N136-A139 PolarHBondContact OD1-N 3.05Å; A139-H142 PolarHBondContact O-N 3.39Å; A139-S143 WeakPolarHBondContact O-CB 3.33Å; A139-S143 PolarHBondContact O-N 2.96Å
140	L	84.3	Confident	84.1	Confident	103 Å²	103	103.9 Å²	103.9	54%	0.539	53%	0.526	S	S	.	.	H	α-helix	trans	-63.3	-47.9	174	-179.2	61.1	0	0	0	111	N136 Q138 H142 S143 I144	N136-L140 WeakPolarHBondContact O-CB 3.34Å; N136-L140 PolarHBondContact O-N 2.95Å; Q138-L140 VanDerWaalsContact C-N 3.35Å; L140-H142 VanDerWaalsContact C-N 3.33Å; L140-H142 PolarHBondContact O-N 2.96Å; L140-S143 PolarHBondContact O-N 3.23Å; L140-I144 HydrophobicContact CD1-CD1 3.95Å; L140-I144 HydrophobicContact CD1-CG1 4.3Å; L140-I144 HydrophobicContact CG-CD1 3.89Å; L140-I144 VanDerWaalsContact O-CG1 3.26Å; L140-I144 WeakPolarHBondContact O-CG1 3.43Å; L140-I144 PolarHBondContact O-N 2.91Å
141	S	85.2	Confident	84.5	Confident	65 Å²	65	102.5 Å²	102.5	46%	0.455	53%	0.526	S	S	.	.	H	α-helix	trans	-60.6	-43.3	177.2	56.2	0	0	0	0	111.9	Q137 Q138 I144 E145	Q137-S141 WeakPolarHBondContact O-CB 3.22Å; Q137-S141 PolarHBondContact O-N 3.31Å; Q137-S141 PolarHBondContact O-OG 3.46Å; Q138-S141 WeakPolarHBondContact CA-OG 3.26Å; Q138-S141 PolarHBondContact O-OG 3.05Å; S141-I144 PolarHBondContact O-N 3.29Å; S141-E145 WeakPolarHBondContact O-CB 3.3Å; S141-E145 PolarHBondContact O-N 2.99Å
142	H	89.1	Confident	85	Confident	115 Å²	115	100.6 Å²	100.6	53%	0.532	52%	0.524	S	S	.	.	H	α-helix	trans	-63.5	-43.2	178	-176.4	-89.2	0	0	0	112	Q138 A139 L140 I144 E145 E146	Q138-H142 WeakPolarHBondContact O-CB 3.39Å; Q138-H142 PolarHBondContact O-N 3.2Å; A139-H142 PolarHBondContact O-N 3.39Å; L140-H142 VanDerWaalsContact C-N 3.33Å; L140-H142 PolarHBondContact O-N 2.96Å; H142-I144 VanDerWaalsContact C-N 3.33Å; H142-I144 PolarHBondContact O-N 3.15Å; H142-E145 PolarHBondContact O-N 2.95Å; H142-E146 WeakPolarHBondContact O-CB 3.48Å; H142-E146 PolarHBondContact O-N 3.12Å
143	S	91.7	Very high	85.4	Confident	80 Å²	80	101.5 Å²	101.5	56%	0.559	53%	0.527	S	S	*	.	H	α-helix	trans	-64.4	-37	177.3	-174.1	0	0	0	0	112.7	A139 L140 G147	A139-S143 WeakPolarHBondContact O-CB 3.33Å; A139-S143 PolarHBondContact O-N 2.96Å; L140-S143 PolarHBondContact O-N 3.23Å; S143-G147 PolarHBondContact O-N 3.33Å
144	I	92.3	Very high	85.9	Confident	93 Å²	93	97.1 Å²	97.1	48%	0.477	51%	0.512	S	S	.	.	H	α-helix	trans	-68.4	-45.3	177.4	-69	167.1	0	0	0	110.3	L140 S141 H142 G147 L148	L140-I144 HydrophobicContact CD1-CD1 3.95Å; L140-I144 HydrophobicContact CD1-CG1 4.3Å; L140-I144 HydrophobicContact CG-CD1 3.89Å; L140-I144 VanDerWaalsContact O-CG1 3.26Å; L140-I144 WeakPolarHBondContact O-CG1 3.43Å; L140-I144 PolarHBondContact O-N 2.91Å; S141-I144 PolarHBondContact O-N 3.29Å; H142-I144 VanDerWaalsContact C-N 3.33Å; H142-I144 PolarHBondContact O-N 3.15Å; I144-G147 PolarHBondContact O-N 2.81Å; I144-L148 HydrophobicContact CG2-CD1 3.95Å; I144-L148 PolarHBondContact O-N 2.92Å
145	E	94.2	Very high	86.9	Confident	128 Å²	128	99.4 Å²	99.4	60%	0.598	51%	0.514	S	S	*	.	H	α-helix	trans	-62.7	-47.1	179.7	-176.4	166.6	-141.1	0	0	111.8	S141 H142 G147 L148 K149	S141-E145 WeakPolarHBondContact O-CB 3.3Å; S141-E145 PolarHBondContact O-N 2.99Å; H142-E145 PolarHBondContact O-N 2.95Å; E145-G147 VanDerWaalsContact C-N 3.32Å; E145-G147 PolarHBondContact O-N 3.23Å; E145-L148 PolarHBondContact O-N 3.17Å; E145-K149 WeakPolarHBondContact O-CB 2.96Å; E145-K149 PolarHBondContact O-N 3.35Å
146	E	92.1	Very high	87.2	Confident	73 Å²	73	100.5 Å²	100.5	34%	0.341	52%	0.519	S	S	.	.	H	α-helix	trans	-61.9	-40.1	175.3	-77.7	-63.9	127.2	0	0	111.6	H142 L148 K149 I150	H142-E146 WeakPolarHBondContact O-CB 3.48Å; H142-E146 PolarHBondContact O-N 3.12Å; E146-L148 PolarHBondContact O-N 3.48Å; E146-K149 PolarHBondContact O-N 3.4Å; E146-K149 IonicContact OE1-NZ 3.88Å; E146-I150 VanDerWaalsContact O-CG1 3.26Å; E146-I150 WeakPolarHBondContact O-CG1 3.46Å; E146-I150 PolarHBondContact O-N 3.22Å
147	G	94	Very high	87.2	Confident	25 Å²	25	101.5 Å²	101.5	26%	0.258	52%	0.52	S	S	.	.	H	α-helix	trans	-59.5	-45.7	174	0	0	0	0	0	113.1	S143 I144 E145 K149 I150 Q151	S143-G147 PolarHBondContact O-N 3.33Å; I144-G147 PolarHBondContact O-N 2.81Å; E145-G147 VanDerWaalsContact C-N 3.32Å; E145-G147 PolarHBondContact O-N 3.23Å; G147-K149 VanDerWaalsContact C-N 3.34Å; G147-K149 PolarHBondContact O-N 2.95Å; G147-I150 PolarHBondContact O-N 2.93Å; G147-Q151 VanDerWaalsContact O-CG 3.24Å; G147-Q151 WeakPolarHBondContact O-CG 3.44Å; G147-Q151 PolarHBondContact O-N 2.93Å
148	L	94.6	Very high	86.7	Confident	107 Å²	107	105.5 Å²	105.5	56%	0.56	53%	0.531	S	S	*	.	H	α-helix	trans	-61.9	-41.3	175.7	-84.3	157.4	0	0	0	111.9	I144 E145 E146 Q151 A152	I144-L148 HydrophobicContact CG2-CD1 3.95Å; I144-L148 PolarHBondContact O-N 2.92Å; E145-L148 PolarHBondContact O-N 3.17Å; E146-L148 PolarHBondContact O-N 3.48Å; L148-Q151 PolarHBondContact O-N 2.99Å; L148-A152 WeakPolarHBondContact O-CB 3.27Å; L148-A152 PolarHBondContact O-N 3.44Å
149	K	94.5	Very high	85.9	Confident	110 Å²	110	99.5 Å²	99.5	48%	0.478	51%	0.513	S	S	.	.	H	α-helix	trans	-65.9	-44	-179.9	-155.7	175.7	-171.6	176.1	0	111.7	E145 E146 G147 Q151 A152 M153	E145-K149 WeakPolarHBondContact O-CB 2.96Å; E145-K149 PolarHBondContact O-N 3.35Å; E146-K149 PolarHBondContact O-N 3.4Å; E146-K149 IonicContact OE1-NZ 3.88Å; G147-K149 VanDerWaalsContact C-N 3.34Å; G147-K149 PolarHBondContact O-N 2.95Å; K149-Q151 PolarHBondContact O-N 2.75Å; K149-A152 PolarHBondContact O-N 3.43Å; K149-M153 HydrophobicContact CG-CE 4.23Å; K149-M153 WeakPolarHBondContact O-CG 3.48Å; K149-M153 PolarHBondContact O-N 3.02Å
150	I	89.9	Confident	84.8	Confident	91 Å²	91	104.7 Å²	104.7	47%	0.467	53%	0.527	S	S	.	.	H	α-helix	trans	-61.9	-44	174.5	-68	165.2	0	0	0	110.5	E146 G147 A152 M153 N154	E146-I150 VanDerWaalsContact O-CG1 3.26Å; E146-I150 WeakPolarHBondContact O-CG1 3.46Å; E146-I150 PolarHBondContact O-N 3.22Å; G147-I150 PolarHBondContact O-N 2.93Å; I150-A152 VanDerWaalsContact C-N 3.34Å; I150-A152 PolarHBondContact O-N 3.28Å; I150-M153 PolarHBondContact O-N 3.41Å; I150-N154 WeakPolarHBondContact O-CB 3.34Å; I150-N154 VanDerWaalsContact O-CG 3.24Å; I150-N154 PolarHBondContact O-N 2.83Å; I150-N154 PolarHBondContact O-ND2 2.81Å
151	Q	91.4	Very high	83.4	Confident	119 Å²	119	107.1 Å²	107.1	56%	0.556	53%	0.534	S	S	*	.	H	α-helix	trans	-61.9	-40.6	176.5	-71.7	174.1	29.7	0	0	112.3	G147 L148 K149 R155	G147-Q151 VanDerWaalsContact O-CG 3.24Å; G147-Q151 WeakPolarHBondContact O-CG 3.44Å; G147-Q151 PolarHBondContact O-N 2.93Å; L148-Q151 PolarHBondContact O-N 2.99Å; K149-Q151 PolarHBondContact O-N 2.75Å; Q151-R155 WeakPolarHBondContact O-CG 3.44Å; Q151-R155 PolarHBondContact O-N 3.32Å; Q151-R155 VanDerWaalsContact O-N 3.12Å
152	A	92.1	Very high	81.8	Confident	52 Å²	52	111.3 Å²	111.3	43%	0.43	55%	0.546	S	S	.	.	H	α-helix	trans	-66.2	-44.3	176.5	0	0	0	0	0	112.2	L148 K149 I150 N154 R155 L156	L148-A152 WeakPolarHBondContact O-CB 3.27Å; L148-A152 PolarHBondContact O-N 3.44Å; K149-A152 PolarHBondContact O-N 3.43Å; I150-A152 VanDerWaalsContact C-N 3.34Å; I150-A152 PolarHBondContact O-N 3.28Å; A152-N154 PolarHBondContact O-N 2.78Å; A152-R155 PolarHBondContact O-N 3.39Å; A152-L156 PolarHBondContact O-N 3.25Å; A152-L156 VanDerWaalsContact O-N 3.16Å
153	M	87.8	Confident	80	Confident	102 Å²	102	113.8 Å²	113.8	50%	0.502	56%	0.558	S	S	.	*	H	α-helix	trans	-61.8	-42.5	176.1	-72.3	-175.6	179.6	0	0	111.9	K149 I150 R155 L156 Q157	K149-M153 HydrophobicContact CG-CE 4.23Å; K149-M153 WeakPolarHBondContact O-CG 3.48Å; K149-M153 PolarHBondContact O-N 3.02Å; I150-M153 PolarHBondContact O-N 3.41Å; M153-R155 VanDerWaalsContact C-N 3.33Å; M153-R155 PolarHBondContact O-N 2.91Å; M153-L156 PolarHBondContact O-N 3.13Å; M153-Q157 WeakPolarHBondContact O-CG 3.43Å; M153-Q157 PolarHBondContact O-N 3.16Å
154	N	86.7	Confident	78.1	Confident	85 Å²	85	116.9 Å²	116.9	46%	0.455	57%	0.567	S	S	.	*	H	α-helix	trans	-64.8	-33.9	177.4	-73.3	-20.8	0	0	0	112.8	I150 A152 R158	I150-N154 WeakPolarHBondContact O-CB 3.34Å; I150-N154 VanDerWaalsContact O-CG 3.24Å; I150-N154 PolarHBondContact O-N 2.83Å; I150-N154 PolarHBondContact O-ND2 2.81Å; A152-N154 PolarHBondContact O-N 2.78Å; N154-R158 PolarHBondContact O-N 3.21Å; N154-R158 VanDerWaalsContact O-N 3.09Å
155	R	88.8	Confident	76	Confident	197 Å²	197	120 Å²	120	74%	0.743	58%	0.579	S	S	*	*	H	α-helix	trans	-64.6	-43.9	172.6	-76	178.2	-173.6	-119.2	3.1	111.9	Q151 A152 M153 R158 G159	Q151-R155 WeakPolarHBondContact O-CG 3.44Å; Q151-R155 PolarHBondContact O-N 3.32Å; Q151-R155 VanDerWaalsContact O-N 3.12Å; A152-R155 PolarHBondContact O-N 3.39Å; M153-R155 VanDerWaalsContact C-N 3.33Å; M153-R155 PolarHBondContact O-N 2.91Å; R155-R158 PolarHBondContact O-N 3.48Å; R155-G159 PolarHBondContact O-N 3.42Å
156	L	78.1	Confident	73.7	Confident	131 Å²	131	120.8 Å²	120.8	69%	0.686	59%	0.587	S	S	*	*	H	α-helix	trans	-66.7	-38	178.6	-68.8	167.5	0	0	0	112.3	A152 M153 G159 K160	A152-L156 PolarHBondContact O-N 3.25Å; A152-L156 VanDerWaalsContact O-N 3.16Å; M153-L156 PolarHBondContact O-N 3.13Å; L156-G159 PolarHBondContact O-N 3.32Å; L156-K160 PolarHBondContact O-N 3.06Å; L156-K160 VanDerWaalsContact O-N 3.11Å
157	Q	72.8	Confident	71.6	Confident	126 Å²	126	120.6 Å²	120.6	59%	0.589	61%	0.605	S	S	*	*	H	α-helix	trans	-69.8	-36.4	177	-71.3	-179.6	6.9	0	0	112.7	M153 G159 K160 K161	M153-Q157 WeakPolarHBondContact O-CG 3.43Å; M153-Q157 PolarHBondContact O-N 3.16Å; Q157-G159 VanDerWaalsContact C-N 3.34Å; Q157-K160 PolarHBondContact O-N 3.01Å; Q157-K161 PolarHBondContact O-N 2.92Å
158	R	64.2	Low	69.4	Low	202 Å²	202	125.2 Å²	125.2	76%	0.762	63%	0.634	S	S	*	*	H	α-helix	trans	-62.7	-38.9	170.9	-86.8	176.7	83.1	-177.3	5.2	112.3	N154 R155 K161 Q162	N154-R158 PolarHBondContact O-N 3.21Å; N154-R158 VanDerWaalsContact O-N 3.09Å; R155-R158 PolarHBondContact O-N 3.48Å; R158-K161 PolarHBondContact O-N 3.01Å; R158-Q162 PolarHBondContact O-N 3.46Å
159	G	60	Low	66.8	Low	40 Å²	40	124 Å²	124	41%	0.412	65%	0.646	S	S	.	*	H	α-helix	trans	-64.7	-35.8	174.9	0	0	0	0	0	113.6	R155 L156 Q157	R155-G159 PolarHBondContact O-N 3.42Å; L156-G159 PolarHBondContact O-N 3.32Å; Q157-G159 VanDerWaalsContact C-N 3.34Å
160	K	57.9	Low	64.7	Low	155 Å²	155	123.5 Å²	123.5	67%	0.674	66%	0.663	S	S	*	*	H	α-helix	trans	-73.7	-32.6	175.5	-94.9	-179	171.9	179.5	0	113.9	L156 Q157 Q162 Q163	L156-K160 PolarHBondContact O-N 3.06Å; L156-K160 VanDerWaalsContact O-N 3.11Å; Q157-K160 PolarHBondContact O-N 3.01Å; K160-Q162 VanDerWaalsContact C-N 3.28Å; K160-Q162 PolarHBondContact O-N 3.11Å; K160-Q163 PolarHBondContact O-N 3.45Å
161	K	53.2	Low	62.5	Low	154 Å²	154	128.5 Å²	128.5	67%	0.67	68%	0.684	S	S	*	*	H	α-helix	trans	-68.4	-28.7	177.9	-159.5	175.4	-180	-175.8	0	112.3	Q157 R158 Q163	Q157-K161 PolarHBondContact O-N 2.92Å; R158-K161 PolarHBondContact O-N 3.01Å; K161-Q163 VanDerWaalsContact C-N 3.31Å; K161-Q163 PolarHBondContact O-N 3.48Å
162	Q	52.8	Low	60.5	Low	153 Å²	153	129.3 Å²	129.3	72%	0.715	69%	0.693	S	S	*	*	H	α-helix	trans	-72.5	-17.8	173.3	-82.6	169.5	-21.7	0	0	114.3	R158 K160	R158-Q162 PolarHBondContact O-N 3.46Å; K160-Q162 VanDerWaalsContact C-N 3.28Å; K160-Q162 PolarHBondContact O-N 3.11Å
163	Q	50.4	Low	58.1	Low	166 Å²	166	134.3 Å²	134.3	78%	0.776	71%	0.712	S	S	*	*	H	α-helix	trans	-88.5	-13.8	176	-89.4	-172.3	-10.8	0	0	114.4	K160 K161	K160-Q163 PolarHBondContact O-N 3.45Å; K161-Q163 VanDerWaalsContact C-N 3.31Å; K161-Q163 PolarHBondContact O-N 3.48Å
164	I	52.1	Low	56.4	Low	146 Å²	146	133 Å²	133	75%	0.749	73%	0.725	S	S	*	*	H	α-helix	trans	-94.9	-18.7	-178.4	-62.9	175.2	0	0	0	112
165	E	48.6	Very low	53.9	Low	158 Å²	158	135.8 Å²	135.8	74%	0.738	74%	0.74	S	S	*	*	S	Bend	trans	-100.3	4.8	177.8	-84.9	-175.1	158.6	0	0	115.5
166	N	46.5	Very low	52.3	Low	144 Å²	144	132.3 Å²	132.3	77%	0.77	75%	0.746	S	S	*	*			trans	-125.4	62.9	174	-83.3	-3.7	0	0	0	111.6
167	G	47.7	Very low	50.9	Low	70 Å²	70	130.9 Å²	130.9	72%	0.722	75%	0.747	S	S	*	*			trans	-95.7	88.7	151.8	0	0	0	0	0	109
168	S	48	Very low	49.7	Very low	122 Å²	122	132.7 Å²	132.7	85%	0.853	76%	0.755	S	S	*	*	S	Bend	trans	143.3	127.3	152.1	-65.3	0	0	0	0	111.7
169	G	38.5	Very low	48.3	Very low	80 Å²	80	128.9 Å²	128.9	83%	0.825	76%	0.758	S	S	*	*			trans	113.9	85.2	164.4	0	0	0	0	0	113.7
170	A	50.8	Low	47.5	Very low	101 Å²	101	131 Å²	131	84%	0.835	77%	0.767	S	S	*	*			trans	-71.6	121.1	158.9	0	0	0	0	0	108.2
171	E	43.3	Very low	46.9	Very low	195 Å²	195	131.5 Å²	131.5	91%	0.911	78%	0.776	S	S	*	*			trans	-144.5	130.4	145	-64	-162.7	178.3	0	0	110.1
172	D	50.7	Low	46.1	Very low	137 Å²	137	128.4 Å²	128.4	73%	0.733	78%	0.779	S	S	*	*			trans	-46.1	136.7	169	178.1	28.2	0	0	0	112.8
173	N	41	Very low	45.7	Very low	157 Å²	157	125.5 Å²	125.5	84%	0.84	78%	0.776	S	S	*	*			trans	-172.1	113.2	136	-93.7	-47.4	0	0	0	109.1
174	G	51.5	Low	45.1	Very low	75 Å²	75	124 Å²	124	77%	0.773	78%	0.779	S	S	*	*			trans	-65.3	136.5	170.4	0	0	0	0	0	111.7
175	D	34.2	Very low	44.8	Very low	143 Å²	143	125 Å²	125	77%	0.765	78%	0.78	S	S	*	*			trans	-142.9	116.1	151	-168.4	14.8	0	0	0	109.6	S177	D175-S177 PolarHBondContact O-N 3.49Å
176	S	56	Low	44.3	Very low	124 Å²	124	123.3 Å²	123.3	87%	0.867	79%	0.786	S	S	*	*			trans	-80.5	105.6	173.1	-71.4	0	0	0	0	108.1
177	S	48.9	Very low	44	Very low	101 Å²	101	124.3 Å²	124.3	71%	0.706	79%	0.791	S	S	*	*			trans	-120.5	100.5	164.5	56	0	0	0	0	111.2	D175 C179	D175-S177 PolarHBondContact O-N 3.49Å; S177-C179 PolarHBondContact O-N 2.93Å
178	H	47.2	Very low	43.7	Very low	164 Å²	164	130.3 Å²	130.3	76%	0.759	80%	0.8	S	S	*	*			trans	-56.7	112.8	160.6	179.3	-6.5	0	0	0	109	S180	H178-S180 PolarHBondContact CE1-OG 3.44Å
179	C	35.8	Very low	43.6	Very low	121 Å²	121	133.9 Å²	133.9	82%	0.818	80%	0.803	S	S	*	*			trans	-99.7	104.4	164.3	58.9	0	0	0	0	109.1	S177	S177-C179 PolarHBondContact O-N 2.93Å
180	S	41.8	Very low	43.6	Very low	86 Å²	86	134.8 Å²	134.8	60%	0.601	80%	0.803	S	S	*	*			trans	-66.8	131.1	168.2	-64.3	0	0	0	0	109.6	H178 A182	H178-S180 PolarHBondContact CE1-OG 3.44Å; S180-A182 PolarHBondContact O-N 3.5Å
181	N	46.1	Very low	43.2	Very low	164 Å²	164	133.3 Å²	133.3	88%	0.877	80%	0.798	S	S	*	*			trans	-56.3	115.1	158.5	-93.9	-7.8	0	0	0	109.1
182	A	35.2	Very low	42.9	Very low	89 Å²	89	129.9 Å²	129.9	74%	0.736	79%	0.792	S	S	*	*			trans	-128.2	98.4	156.9	0	0	0	0	0	107.7	S180 T184	S180-A182 PolarHBondContact O-N 3.5Å; A182-T184 PolarHBondContact O-N 3.44Å
183	S	45.3	Very low	42.3	Very low	93 Å²	93	129 Å²	129	65%	0.65	80%	0.797	S	S	*	*			trans	-71.7	111.5	165.2	-50.8	0	0	0	0	108.2
184	T	37	Very low	42.2	Very low	134 Å²	134	128.9 Å²	128.9	82%	0.822	80%	0.796	S	S	*	*			trans	-129.9	113.5	157.2	46.8	0	0	0	0	108.9	A182	A182-T184 PolarHBondContact O-N 3.44Å
185	H	45.9	Very low	41.5	Very low	167 Å²	167	135 Å²	135	77%	0.773	80%	0.802	S	S	*	*			trans	-73.2	128	175.6	-43.9	-86.8	0	0	0	107.9
186	S	38.2	Very low	41.6	Very low	123 Å²	123	140.1 Å²	140.1	86%	0.86	81%	0.81	S	S	*	*			trans	-155.2	103.4	152.7	-84.3	0	0	0	0	109.1
187	N	40.7	Very low	40.5	Very low	164 Å²	164	141.3 Å²	141.3	88%	0.877	81%	0.813	S	S	*	*			trans	-68.1	126.2	168	-73.2	-28	0	0	0	109.1
188	Q	40.7	Very low	39.8	Very low	197 Å²	197	145.9 Å²	145.9	92%	0.921	82%	0.82	S	S	*	*			trans	-138.6	123.3	147.3	-103.4	170	49	0	0	108.1
189	E	46.5	Very low	39.1	Very low	196 Å²	196	144.9 Å²	144.9	92%	0.916	83%	0.825	S	S	*	*			trans	-59.7	135.6	179.6	-66.5	-130.5	122.8	0	0	112
190	A	38.8	Very low	39.1	Very low	99 Å²	99	143.5 Å²	143.5	82%	0.818	82%	0.817	S	S	*	*			trans	-152.3	112.6	154.4	0	0	0	0	0	108.6
191	G	41.4	Very low	38.8	Very low	71 Å²	71	147 Å²	147	73%	0.732	83%	0.829	S	S	*	*			trans	-67.2	159.5	179.5	0	0	0	0	0	113.4
192	P	39	Very low	38.2	Very low	122 Å²	122	146 Å²	146	79%	0.792	82%	0.823	S	S	*	*			trans	-84.6	124.2	-179.6	26.9	-23	0	0	0	112.2	N194	P192-N194 PolarHBondContact O-N 2.97Å
193	S	37.5	Very low	38.4	Very low	120 Å²	120	147.2 Å²	147.2	84%	0.839	83%	0.827	S	S	*	*			trans	-74.6	110.1	169.3	-165.2	0	0	0	0	109.8	K195	S193-K195 PolarHBondContact O-N 3.42Å
194	N	37.6	Very low	37.8	Very low	153 Å²	153	145.8 Å²	145.8	82%	0.818	83%	0.827	S	S	*	*			trans	-83.9	110.1	177	-81.7	-28.5	0	0	0	110.8	P192	P192-N194 PolarHBondContact O-N 2.97Å
195	K	37.6	Very low	37.7	Very low	205 Å²	205	148.1 Å²	148.1	89%	0.891	83%	0.833	S	S	*	*			trans	-86.1	114.7	160.8	-83.6	-175.2	177.3	179.5	0	109.5	S193	S193-K195 PolarHBondContact O-N 3.42Å
196	R	36.5	Very low	37.1	Very low	250 Å²	250	148.5 Å²	148.5	94%	0.943	84%	0.835	S	S	*	*			trans	-72.7	135.7	170.1	-94.5	175.7	165.3	175.2	-4.8	110.9
197	T	32.5	Very low	37.3	Very low	149 Å²	149	149 Å²	149	91%	0.914	83%	0.828	S	S	*	*			trans	-118.4	142	151.4	-24.7	0	0	0	0	108.1
198	K	34.4	Very low	36.8	Very low	196 Å²	196	148.1 Å²	148.1	85%	0.852	82%	0.823	S	S	*	*			trans	-107	130.5	-157.2	-174.1	-178	-175.2	-177.8	0	109.6
199	T	32.7	Very low	36.8	Very low	143 Å²	143	144.7 Å²	144.7	88%	0.877	81%	0.811	S	S	*	*			trans	-142.6	140.1	149	55.6	0	0	0	0	109.1
200	S	36.9	Very low	36.2	Very low	93 Å²	93	142.7 Å²	142.7	65%	0.65	81%	0.807	S	S	*	*			trans	-77.2	153.8	-171.1	50.1	0	0	0	0	112.4
201	D	33.5	Very low	36.3	Very low	160 Å²	160	145.4 Å²	145.4	86%	0.856	81%	0.807	S	S	*	*				-175.8	158.2	103	-81.1	-19.5	0	0	0	110.9
202	D	34	Very low	35.9	Very low	141 Å²	141	146 Å²	146	75%	0.754	81%	0.805	S	S	*	*			trans	-98.5	145	-153.9	158.9	55.7	0	0	0	111.8
203	S	39.4	Very low	35.8	Very low	116 Å²	116	144.5 Å²	144.5	81%	0.811	80%	0.803	S	S	*	*			trans	178.8	106.4	137	-71.9	0	0	0	0	109.6
204	G	33.1	Very low	35.6	Very low	62 Å²	62	147.4 Å²	147.4	64%	0.639	81%	0.806	S	S	*	*			trans	-78.6	160.4	173.1	0	0	0	0	0	113.9
205	L	35.3	Very low	35.3	Very low	183 Å²	183	144.4 Å²	144.4	96%	0.958	80%	0.802	S	S	*	*			trans	-147.9	141.9	146.5	-75.9	-175.8	0	0	0	109.2
206	E	33.3	Very low	35.3	Very low	175 Å²	175	142.2 Å²	142.2	82%	0.818	80%	0.799	S	S	*	*			trans	-82.9	160.7	-166.8	-63.2	-155.4	132.7	0	0	114.9
207	L	41.8	Very low	35	Very low	134 Å²	134	136.6 Å²	136.6	70%	0.702	79%	0.787	S	S	*	*			trans	36.9	119.3	149.3	-83.8	85.7	0	0	0	119
208	D	29.3	Very low	35.3	Very low	145 Å²	145	134.8 Å²	134.8	78%	0.775	78%	0.778	S	S	*	*				-178.2	142.9	91.6	-99.7	-33.6	0	0	0	115.1
209	N	40.8	Very low	35.4	Very low	125 Å²	125	131.9 Å²	131.9	67%	0.668	78%	0.777	S	S	*	*			trans	-2.3	124.7	152.7	-165.8	26.7	0	0	0	118.4
210	N	34.9	Very low	35.8	Very low	155 Å²	155	133 Å²	133	83%	0.829	77%	0.774	S	S	*	*			trans	-166.7	95.6	132.5	-88.4	-45.8	0	0	0	109.8	A212	N210-A212 PolarHBondContact O-N 2.97Å
211	N	41.2	Very low	36	Very low	155 Å²	155	136.4 Å²	136.4	83%	0.829	79%	0.785	S	S	*	*			trans	-67.8	85.2	163.2	-170.5	24.7	0	0	0	108.3	A213	N211-A213 PolarHBondContact O-N 3.2Å; N211-A213 VanDerWaalsContact O-N 3.12Å
212	A	33.3	Very low	36.2	Very low	84 Å²	84	131.4 Å²	131.4	69%	0.694	77%	0.771	S	S	*	*			trans	-74.1	99.7	169.3	0	0	0	0	0	107.9	N210 M214	N210-A212 PolarHBondContact O-N 2.97Å; A212-M214 PolarHBondContact O-N 3.24Å
213	A	37.2	Very low	36.4	Very low	90 Å²	90	129 Å²	129	74%	0.744	77%	0.771	S	S	*	*			trans	-47.9	103.7	164.7	0	0	0	0	0	109.8	N211 A215	N211-A213 PolarHBondContact O-N 3.2Å; N211-A213 VanDerWaalsContact O-N 3.12Å; A213-A215 VanDerWaalsContact C-N 3.33Å; A213-A215 PolarHBondContact O-N 3.16Å; A213-A215 VanDerWaalsContact O-N 3.15Å
214	M	32.3	Very low	36.6	Very low	181 Å²	181	128.4 Å²	128.4	89%	0.892	77%	0.767	S	S	*	*			trans	-75	98.5	156.5	-76.3	-160.4	154.7	0	0	106.4	A212 I216	A212-M214 PolarHBondContact O-N 3.24Å; M214-I216 PolarHBondContact O-N 3.48Å
215	A	31.7	Very low	37.2	Very low	91 Å²	91	130.1 Å²	130.1	75%	0.752	76%	0.758	S	S	*	*			trans	-54.8	103.9	165.3	0	0	0	0	0	107.8	A213 D217	A213-A215 VanDerWaalsContact C-N 3.33Å; A213-A215 PolarHBondContact O-N 3.16Å; A213-A215 VanDerWaalsContact O-N 3.15Å; A215-D217 VanDerWaalsContact C-N 3.28Å; A215-D217 PolarHBondContact O-N 3.48Å; A215-D217 VanDerWaalsContact O-N 3.11Å
216	I	37.3	Very low	37.8	Very low	159 Å²	159	124.6 Å²	124.6	82%	0.815	73%	0.729	S	S	*	*			trans	-74.2	96.5	161.5	-57.3	169	0	0	0	103.7	M214 P218	M214-I216 PolarHBondContact O-N 3.48Å; I216-P218 WeakPolarHBondContact O-CD 3.25Å
217	D	29.7	Very low	38.9	Very low	132 Å²	132	122.6 Å²	122.6	71%	0.706	72%	0.719	S	S	*	*			trans	-55.7	124.4	171.3	-121.2	-25.9	0	0	0	107.9	A215 V219	A215-D217 VanDerWaalsContact C-N 3.28Å; A215-D217 PolarHBondContact O-N 3.48Å; A215-D217 VanDerWaalsContact O-N 3.11Å; D217-V219 VanDerWaalsContact C-N 3.33Å; D217-V219 PolarHBondContact O-N 2.69Å
218	P	39.7	Very low	39.4	Very low	110 Å²	110	117 Å²	117	71%	0.714	69%	0.69	S	S	*	*			trans	-71.7	96.9	171.7	28.8	-27.7	0	0	0	106.2	I216 M220	I216-P218 WeakPolarHBondContact O-CD 3.25Å; P218-M220 PolarHBondContact O-N 2.75Å
219	V	36	Very low	41	Very low	136 Å²	136	113.3 Å²	113.3	82%	0.824	67%	0.672	S	S	*	*			trans	-67	92.8	170.9	177.2	0	0	0	0	107.7	D217	D217-V219 VanDerWaalsContact C-N 3.33Å; D217-V219 PolarHBondContact O-N 2.69Å
220	M	40.8	Very low	41.9	Very low	166 Å²	166	109.6 Å²	109.6	82%	0.818	65%	0.65	S	S	*	*			trans	27.4	97.7	145.8	-69.6	-68.5	-157.9	0	0	115.3	P218	P218-M220 PolarHBondContact O-N 2.75Å
221	D	41.5	Very low	42.8	Very low	165 Å²	165	111.5 Å²	111.5	88%	0.882	65%	0.646	S	S	*	*			trans	-21.3	138.2	131.3	-164.3	14.6	0	0	0	113.7
222	G	38.6	Very low	43.1	Very low	54 Å²	54	106.2 Å²	106.2	56%	0.557	62%	0.62	S	S	*	*			trans	121.8	34.1	-179.7	0	0	0	0	0	115.4	S224	G222-S224 PolarHBondContact O-N 3.38Å
223	A	36.9	Very low	43.5	Very low	92 Å²	92	106 Å²	106	76%	0.76	61%	0.605	S	S	*	*			trans	-65.9	98.1	142.8	0	0	0	0	0	105.2	E225	A223-E225 PolarHBondContact O-N 3.26Å
224	S	44.6	Very low	44.4	Very low	103 Å²	103	106.1 Å²	106.1	72%	0.72	60%	0.598	S	S	*	*			trans	-60.2	89	170	-37.6	0	0	0	0	106.5	G222 I226	G222-S224 PolarHBondContact O-N 3.38Å; S224-I226 PolarHBondContact O-N 3.4Å
225	E	44.9	Very low	45.3	Very low	97 Å²	97	102.9 Å²	102.9	45%	0.453	59%	0.588	S	S	.	*			trans	-54.8	125	167.2	-75.2	-164.4	158.8	0	0	105.2	S41 R43 A223 E227	S41-E225 PolarHBondContact OG-OE2 3.4Å; R43-E225 IonicContact CZ-OE1 3.84Å; R43-E225 IonicContact NE-OE1 3.05Å; R43-E225 PolarHBondContact NE-OE1 3.35Å; R43-E225 IonicContact NH2-OE1 3.71Å; A223-E225 PolarHBondContact O-N 3.26Å; E225-E227 VanDerWaalsContact C-N 3.34Å; E225-E227 PolarHBondContact O-N 3.38Å
226	I	48.8	Very low	46.3	Very low	68 Å²	68	103.3 Å²	103.3	35%	0.349	58%	0.577	S	S	.	*			trans	-62	103.4	176.7	-72.8	150.8	0	0	0	105.9	Y120 S224 L228	Y120-I226 HydrophobicContact CD2-CD1 3.75Å; Y120-I226 HydrophobicContact CE2-CD1 4.44Å; S224-I226 PolarHBondContact O-N 3.4Å; I226-L228 HydrophobicContact CG2-CD2 4.12Å; I226-L228 PolarHBondContact O-N 3.41Å
227	E	55.8	Low	46.7	Very low	133 Å²	133	102.2 Å²	102.2	62%	0.621	57%	0.571	S	S	*	*			trans	-70.4	112.3	-179.5	-168.6	173.5	-173.1	0	0	107.8	V39 E225 V229	V39-E227 HydrophobicContact CG1-CG 3.68Å; V39-E227 WeakPolarHBondContact CG1-OE1 3.44Å; E225-E227 VanDerWaalsContact C-N 3.34Å; E225-E227 PolarHBondContact O-N 3.38Å; E227-V229 PolarHBondContact O-N 3.37Å
228	L	53.3	Low	47.7	Very low	16 Å²	16	104.5 Å²	104.5	8%	0.084	58%	0.577	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.5	108.6	180	-59.3	170.8	0	0	0	108.2	P42 I113 Y114 I226 F230	P42-L228 HydrophobicContact CG-CD1 4.31Å; I113-L228 HydrophobicContact CG2-CD1 4.15Å; Y114-L228 HydrophobicContact CD1-CD1 3.64Å; Y114-L228 HydrophobicContact CD1-CD2 3.97Å; Y114-L228 HydrophobicContact CD1-CG 4.44Å; Y114-L228 HydrophobicContact CE1-CD1 3.2Å; Y114-L228 HydrophobicContact CE1-CD2 4.28Å; Y114-L228 HydrophobicContact CE1-CG 4.29Å; Y114-L228 HydrophobicContact CE2-CD1 4.33Å; Y114-L228 HydrophobicContact CG-CD1 4.38Å; I226-L228 HydrophobicContact CG2-CD2 4.12Å; I226-L228 PolarHBondContact O-N 3.41Å; L228-F230 HydrophobicContact CB-CE2 4.35Å
229	V	61.4	Low	48.1	Very low	67 Å²	67	108.5 Å²	108.5	41%	0.406	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.3	110.4	174.8	-177.9	0	0	0	0	108.6	E37 E227	E37-V229 HydrophobicContact CB-CG1 4.03Å; E37-V229 HydrophobicContact CG-CG1 3.92Å; E37-V229 WeakPolarHBondContact OE1-CG1 3.16Å; E37-V229 WeakPolarHBondContact OE2-CG1 3.3Å; E227-V229 PolarHBondContact O-N 3.37Å
230	F	59.8	Low	48.3	Very low	47 Å²	47	109.4 Å²	109.4	21%	0.206	58%	0.584	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.3	127.6	175.2	-72.9	-94.3	0	0	0	111.1	I38 V40 I113 L228	I38-F230 HydrophobicContact CB-CB 4.41Å; I38-F230 WeakPolarHBondContact O-CD2 3.23Å; I38-F230 PolarHBondContact O-N 3.02Å; V40-F230 HydrophobicContact CB-CE2 3.95Å; V40-F230 HydrophobicContact CG2-CD2 4.04Å; V40-F230 HydrophobicContact CG2-CE2 3.57Å; V40-F230 HydrophobicContact CG2-CZ 4.45Å; I113-F230 VanDerWaalsContact CA-CE1 3.44Å; I113-F230 HydrophobicContact CB-CE1 3.71Å; I113-F230 HydrophobicContact CB-CZ 3.7Å; I113-F230 HydrophobicContact CG1-CE1 3.33Å; I113-F230 HydrophobicContact CG1-CZ 3.52Å; I113-F230 HydrophobicContact CG2-CE1 3.97Å; I113-F230 HydrophobicContact CG2-CE2 4.28Å; I113-F230 HydrophobicContact CG2-CZ 3.39Å; L228-F230 HydrophobicContact CB-CE2 4.35Å
231	R	54.5	Low	48.7	Very low	195 Å²	195	108.4 Å²	108.4	74%	0.736	58%	0.581	S	S	*	*			trans	-112.2	145	171.5	-66.6	-176.2	175.1	165.7	3.8	111	E37	E37-R231 IonicContact OE1-CZ 2.76Å; E37-R231 IonicContact OE1-NE 3.21Å; E37-R231 PolarHBondContact OE1-NE 2.86Å; E37-R231 IonicContact OE1-NH2 3.46Å
232	P	46.2	Very low	48.5	Very low	45 Å²	45	105.7 Å²	105.7	29%	0.292	58%	0.575	S	S	.	*			trans	-60.6	153.1	175.3	19.7	-27.1	0	0	0	112
233	H	42.5	Very low	48.7	Very low	79 Å²	79	107.4 Å²	107.4	37%	0.366	59%	0.585	S	S	.	*			trans	-65.1	134.4	-175.1	-164.8	-102.3	0	0	0	111.3	K112 T235 L236	K112-H233 PolarHBondContact NZ-CD2 3.17Å; K112-H233 PolarHBondContact NZ-NE2 3.12Å; H233-T235 PolarHBondContact ND1-OG1 3.29Å; H233-T235 PolarHBondContact O-N 3.18Å; H233-L236 PolarHBondContact O-N 3.14Å
234	P	55.3	Low	48.8	Very low	93 Å²	93	111.6 Å²	111.6	60%	0.604	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-61.6	-15	-173.5	16.1	-27.2	0	0	0	115	L236 M237	P234-L236 PolarHBondContact O-N 2.99Å; P234-M237 PolarHBondContact O-N 2.84Å
235	T	53	Low	48.5	Very low	112 Å²	112	116.6 Å²	116.6	69%	0.687	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-76.1	-4	172.7	60.9	0	0	0	0	114.1	H233	H233-T235 PolarHBondContact ND1-OG1 3.29Å; H233-T235 PolarHBondContact O-N 3.18Å
236	L	52.4	Low	48.6	Very low	100 Å²	100	117.6 Å²	117.6	52%	0.524	62%	0.623	S	S	.	*	G	3₁₀ helix	trans	-103.8	-3.4	171	-63.4	176.2	0	0	0	112.3	H233 P234 E238	H233-L236 PolarHBondContact O-N 3.14Å; P234-L236 PolarHBondContact O-N 2.99Å; L236-E238 PolarHBondContact O-N 3.33Å
237	M	46	Very low	48.6	Very low	137 Å²	137	120.2 Å²	120.2	68%	0.675	64%	0.637	S	S	*	*	S	Bend	trans	-87.4	106.7	169.3	-61.7	-176.7	76.1	0	0	106.3	P234 K239	P234-M237 PolarHBondContact O-N 2.84Å; M237-K239 PolarHBondContact O-N 3.12Å
238	E	49.1	Very low	48.2	Very low	180 Å²	180	119.4 Å²	119.4	84%	0.841	64%	0.638	S	S	*	*			trans	-52.2	139.5	167.3	-67.7	-123	137.8	0	0	108.7	L236 D240	L236-E238 PolarHBondContact O-N 3.33Å; E238-D240 PolarHBondContact O-N 3.22Å
239	K	49.3	Very low	47.9	Very low	193 Å²	193	125.5 Å²	125.5	84%	0.839	67%	0.67	S	S	*	*			trans	-61	104.9	168.8	-77.3	172.6	173.6	177.6	0	107	M237 D241	M237-K239 PolarHBondContact O-N 3.12Å; K239-D241 PolarHBondContact O-N 3.05Å
240	D	40.2	Very low	47.1	Very low	156 Å²	156	129.2 Å²	129.2	83%	0.834	69%	0.687	S	S	*	*			trans	-68.8	91.8	157.3	-86.2	-33.5	0	0	0	107.5	E238 S242	E238-D240 PolarHBondContact O-N 3.22Å; D240-S242 PolarHBondContact O-N 3.17Å; D240-S242 VanDerWaalsContact O-N 3.13Å
241	D	48.3	Very low	46.3	Very low	144 Å²	144	134.7 Å²	134.7	77%	0.77	72%	0.719	S	S	*	*			trans	-52.4	106	150.2	-101.3	-58	0	0	0	107.7	K239	K239-D241 PolarHBondContact O-N 3.05Å
242	S	38	Very low	45.7	Very low	108 Å²	108	130.4 Å²	130.4	76%	0.755	72%	0.718	S	S	*	*			trans	-136.5	78	158.1	-72.4	0	0	0	0	108.1	D240 Q244	D240-S242 PolarHBondContact O-N 3.17Å; D240-S242 VanDerWaalsContact O-N 3.13Å; S242-Q244 PolarHBondContact O-N 2.67Å
243	A	42.8	Very low	45.6	Very low	91 Å²	91	136.9 Å²	136.9	75%	0.752	75%	0.751	S	S	*	*			trans	-62.4	117.6	146.1	0	0	0	0	0	108.4
244	Q	38.5	Very low	45.9	Very low	180 Å²	180	141.8 Å²	141.8	84%	0.841	78%	0.783	S	S	*	*			trans	-158.2	113.9	140.1	-125.6	166.4	-0	0	0	110.6	S242	S242-Q244 PolarHBondContact O-N 2.67Å
245	T	37.5	Very low	45	Very low	207 Å²	207	146.2 Å²	146.2	100%	1.27	80%	0.799	S	S	*	*			trans	21.5	0	147	49.1	0	0	0	0	119.5

Retrieved 245 of 245 residues in 62.4 ms (Link to these results)

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