A0A087XSD2_POEFO Loading...

Nucleoside diphosphate kinase

Major role in the synthesis of nucleoside triphosphates other than ATP.

AlphaFold DB , UniProt , Accession A0A087XSD2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 189 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	W	36.9	Very low	37.6	Very low	309 Å²	309	177 Å²	177	100%	1.17	85%	0.849	S	S	*	*				0	133.6	0	-78	77.9	0	0	0	109.2
2	K	36.5	Very low	37.8	Very low	210 Å²	210	170.6 Å²	170.6	91%	0.913	84%	0.837	S	S	*	*			trans	93.1	122.7	178.8	-65.1	-172	175.2	-178.3	0	117.6
3	T	35.8	Very low	37.6	Very low	143 Å²	143	165.9 Å²	165.9	88%	0.877	83%	0.831	S	S	*	*			trans	-98.8	161.9	-162	20.2	0	0	0	0	112.1
4	R	41.1	Very low	37.7	Very low	235 Å²	235	166.4 Å²	166.4	89%	0.887	83%	0.83	S	S	*	*			trans	-58.1	143	169.9	-168.9	-172.2	-77.3	-155.7	-3.4	112.4
5	I	37.4	Very low	37.7	Very low	165 Å²	165	164.3 Å²	164.3	85%	0.846	83%	0.829	S	S	*	*			trans	-140.5	126.3	154.8	-60.7	-175.3	0	0	0	109.7
6	S	34.5	Very low	38	Very low	82 Å²	82	164.1 Å²	164.1	57%	0.573	83%	0.83	S	S	*	*			trans	-85.2	155.5	171.6	36.3	0	0	0	0	111.6	D8	S6-D8 PolarHBondContact O-N 3.11Å
7	P	39.5	Very low	38.3	Very low	129 Å²	129	163.4 Å²	163.4	84%	0.838	83%	0.827	S	S	*	*			trans	-85.7	114.9	177.1	31.6	-28.1	0	0	0	111
8	D	36.9	Very low	38.4	Very low	149 Å²	149	159.7 Å²	159.7	80%	0.797	82%	0.816	S	S	*	*			trans	-78.9	136.4	170.6	-83.6	-33	0	0	0	111.8	S6	S6-D8 PolarHBondContact O-N 3.11Å
9	R	39.7	Very low	38.7	Very low	224 Å²	224	162.8 Å²	162.8	85%	0.845	82%	0.823	S	S	*	*			trans	-64.2	124	168.3	-91.6	175.7	-128.8	-171	-2.6	110.1
10	V	40.5	Very low	39	Very low	139 Å²	139	165.2 Å²	165.2	84%	0.842	82%	0.822	S	S	*	*			trans	-90.7	106.2	160.6	-178.5	0	0	0	0	108
11	H	35	Very low	39.6	Very low	162 Å²	162	167.5 Å²	167.5	75%	0.75	83%	0.827	S	S	*	*			trans	-80.5	112.2	161.1	-87.5	-0.9	0	0	0	108.3	S13	H11-S13 PolarHBondContact O-N 2.88Å
12	S	39.4	Very low	40	Very low	100 Å²	100	158.1 Å²	158.1	70%	0.699	80%	0.799	S	S	*	*			trans	-77.1	107.2	166.5	62.6	0	0	0	0	108.9	Q14	S12-Q14 PolarHBondContact O-N 3.15Å; S12-Q14 VanDerWaalsContact O-N 3.13Å
13	S	35.9	Very low	40.5	Very low	110 Å²	110	151.9 Å²	151.9	77%	0.769	78%	0.781	S	S	*	*			trans	-66.1	102.8	167.8	27.6	0	0	0	0	109.5	H11 T15	H11-S13 PolarHBondContact O-N 2.88Å; S13-T15 PolarHBondContact O-N 3.2Å; S13-T15 VanDerWaalsContact O-N 3.15Å
14	Q	38.9	Very low	41.5	Very low	173 Å²	173	151.1 Å²	151.1	81%	0.808	77%	0.77	S	S	*	*			trans	-69.4	103.7	164.3	-74.8	179.6	-5.2	0	0	108.4	S12 L16	S12-Q14 PolarHBondContact O-N 3.15Å; S12-Q14 VanDerWaalsContact O-N 3.13Å; Q14-L16 PolarHBondContact O-N 3.44Å; Q14-L16 VanDerWaalsContact O-N 3.13Å
15	T	37.7	Very low	41.9	Very low	134 Å²	134	143.2 Å²	143.2	82%	0.822	75%	0.751	S	S	*	*			trans	-70.5	102.1	167.9	10.3	0	0	0	0	108.8	S13 I17	S13-T15 PolarHBondContact O-N 3.2Å; S13-T15 VanDerWaalsContact O-N 3.15Å; T15-I17 PolarHBondContact O-N 3.13Å
16	L	41.9	Very low	42.5	Very low	162 Å²	162	136.8 Å²	136.8	85%	0.848	72%	0.723	S	S	*	*			trans	-63.2	109.8	170.5	-77	157.5	0	0	0	109.6	Q14	Q14-L16 PolarHBondContact O-N 3.44Å; Q14-L16 VanDerWaalsContact O-N 3.13Å
17	I	43.4	Very low	43.7	Very low	152 Å²	152	135.7 Å²	135.7	78%	0.779	71%	0.712	S	S	*	*			trans	-70.9	125	170.9	-58.5	172.9	0	0	0	107.9	T15 K19	T15-I17 PolarHBondContact O-N 3.13Å; I17-K19 PolarHBondContact O-N 3.49Å
18	P	40.2	Very low	44.4	Very low	97 Å²	97	135.6 Å²	135.6	63%	0.63	70%	0.696	S	S	*	*			trans	-70.9	130.9	-176.9	26.5	-31.1	0	0	0	111	R20	P18-R20 PolarHBondContact O-N 3.31Å
19	K	43.8	Very low	45.2	Very low	218 Å²	218	135.3 Å²	135.3	95%	0.948	69%	0.69	S	S	*	*			trans	-68.2	74.3	173.4	-66.8	-172.7	178.9	-176.3	0	110.9	I17	I17-K19 PolarHBondContact O-N 3.49Å
20	R	45.2	Very low	45.9	Very low	210 Å²	210	130.1 Å²	130.1	79%	0.792	68%	0.679	S	S	*	*			trans	-75	133.4	163.1	-72.9	-173.1	169.8	-167.9	-2.6	107.7	P18 L22	P18-R20 PolarHBondContact O-N 3.31Å; R20-L22 PolarHBondContact O-N 2.87Å
21	K	50.8	Low	46.5	Very low	215 Å²	215	127.6 Å²	127.6	94%	0.935	66%	0.66	S	S	*	*			trans	-52.8	101.8	169.5	-79.9	-179.1	174.2	-178.4	0	107.8	C23	K21-C23 PolarHBondContact O-N 3.13Å
22	L	46.7	Very low	47.3	Very low	111 Å²	111	129.4 Å²	129.4	58%	0.581	66%	0.66	S	S	*	*			trans	-67.2	123.6	174.3	-125.8	75.8	0	0	0	106.7	R20 I24 A26 V27	R20-L22 PolarHBondContact O-N 2.87Å; L22-I24 PolarHBondContact O-N 3.18Å; L22-A26 HydrophobicContact CG-CB 4.42Å; L22-V27 HydrophobicContact CB-CG2 4.07Å; L22-V27 HydrophobicContact CD2-CG2 3.68Å; L22-V27 HydrophobicContact CG-CG2 4.37Å
23	C	47	Very low	48	Very low	79 Å²	79	129.2 Å²	129.2	53%	0.534	66%	0.659	S	S	.	*			trans	-58.9	138.2	170.9	-175.1	0	0	0	0	108.2	K21 S25 A26 V27	K21-C23 PolarHBondContact O-N 3.13Å; C23-S25 PolarHBondContact O-N 2.8Å; C23-S25 VanDerWaalsContact O-N 3.11Å; C23-S25 PolarHBondContact SG-OG 3.34Å; C23-A26 HydrophobicContact CB-CB 4.41Å; C23-A26 WeakPolarHBondContact O-CA 3.5Å; C23-A26 WeakPolarHBondContact O-CB 3.49Å; C23-A26 PolarHBondContact O-N 3.15Å; C23-V27 PolarHBondContact O-N 3.13Å
24	I	55.9	Low	48.8	Very low	127 Å²	127	126.9 Å²	126.9	65%	0.651	64%	0.643	S	S	*	*	H	α-helix	trans	-52.1	-36.5	176.6	-69.1	171.6	0	0	0	110.2	L22 A26 V27 Y28	L22-I24 PolarHBondContact O-N 3.18Å; I24-A26 VanDerWaalsContact C-N 3.32Å; I24-A26 PolarHBondContact O-N 3.48Å; I24-V27 PolarHBondContact O-N 2.84Å; I24-Y28 HydrophobicContact CG2-CD2 3.66Å; I24-Y28 HydrophobicContact CG2-CE2 3.59Å; I24-Y28 VanDerWaalsContact O-CD2 3.31Å; I24-Y28 WeakPolarHBondContact O-CD2 3.28Å; I24-Y28 PolarHBondContact O-N 3.45Å
25	S	48.9	Very low	49.4	Very low	69 Å²	69	122.2 Å²	122.2	48%	0.483	64%	0.64	S	S	.	*	H	α-helix	trans	-59.9	-37.9	175.2	70	0	0	0	0	113.6	C23 Y28 E29	C23-S25 PolarHBondContact O-N 2.8Å; C23-S25 VanDerWaalsContact O-N 3.11Å; C23-S25 PolarHBondContact SG-OG 3.34Å; S25-Y28 PolarHBondContact O-N 3.41Å; S25-E29 PolarHBondContact O-N 3.34Å
26	A	50.8	Low	50.2	Low	31 Å²	31	121.1 Å²	121.1	26%	0.256	63%	0.629	S	S	.	*	H	α-helix	trans	-73.5	-30.2	179.4	0	0	0	0	0	112.2	L22 C23 I24 L30	L22-A26 HydrophobicContact CG-CB 4.42Å; C23-A26 HydrophobicContact CB-CB 4.41Å; C23-A26 WeakPolarHBondContact O-CA 3.5Å; C23-A26 WeakPolarHBondContact O-CB 3.49Å; C23-A26 PolarHBondContact O-N 3.15Å; I24-A26 VanDerWaalsContact C-N 3.32Å; I24-A26 PolarHBondContact O-N 3.48Å; A26-L30 PolarHBondContact O-N 2.94Å; A26-L30 VanDerWaalsContact O-N 3.09Å
27	V	60.3	Low	51	Low	58 Å²	58	116.7 Å²	116.7	35%	0.352	61%	0.61	S	S	.	*	H	α-helix	trans	-67.9	-43.4	171.8	-179.6	0	0	0	0	110.3	L22 C23 I24 L30 L31	L22-V27 HydrophobicContact CB-CG2 4.07Å; L22-V27 HydrophobicContact CD2-CG2 3.68Å; L22-V27 HydrophobicContact CG-CG2 4.37Å; C23-V27 PolarHBondContact O-N 3.13Å; I24-V27 PolarHBondContact O-N 2.84Å; V27-L30 PolarHBondContact O-N 3.33Å; V27-L31 HydrophobicContact CG1-CD1 4.02Å; V27-L31 HydrophobicContact CG1-CG 4.46Å; V27-L31 WeakPolarHBondContact O-CG 3.44Å; V27-L31 PolarHBondContact O-N 3.36Å
28	Y	54.1	Low	52.2	Low	128 Å²	128	112.9 Å²	112.9	50%	0.502	59%	0.591	S	S	.	*	H	α-helix	trans	-62.5	-42	176.3	-89.3	-78.6	0	0	0	112.3	I24 S25 L31 R32	I24-Y28 HydrophobicContact CG2-CD2 3.66Å; I24-Y28 HydrophobicContact CG2-CE2 3.59Å; I24-Y28 VanDerWaalsContact O-CD2 3.31Å; I24-Y28 WeakPolarHBondContact O-CD2 3.28Å; I24-Y28 PolarHBondContact O-N 3.45Å; S25-Y28 PolarHBondContact O-N 3.41Å; Y28-L31 PolarHBondContact O-N 2.78Å; Y28-R32 WeakPolarHBondContact O-CB 3.48Å; Y28-R32 PolarHBondContact O-N 2.93Å
29	E	53.8	Low	53.9	Low	143 Å²	143	111.8 Å²	111.8	67%	0.668	58%	0.582	S	S	*	*	H	α-helix	trans	-64.8	-39.4	175.1	-76.9	178.4	177.2	0	0	112.5	S25 R32 S33	S25-E29 PolarHBondContact O-N 3.34Å; E29-R32 PolarHBondContact O-N 2.92Å; E29-S33 PolarHBondContact O-N 3.21Å
30	L	52.8	Low	55.9	Low	115 Å²	115	105.2 Å²	105.2	60%	0.602	55%	0.552	S	S	*	*	H	α-helix	trans	-65.4	-44.2	175.6	-119	103.2	0	0	0	112.2	A26 V27 R32 S33 S34	A26-L30 PolarHBondContact O-N 2.94Å; A26-L30 VanDerWaalsContact O-N 3.09Å; V27-L30 PolarHBondContact O-N 3.33Å; L30-R32 VanDerWaalsContact C-N 3.3Å; L30-R32 PolarHBondContact O-N 2.84Å; L30-S33 PolarHBondContact O-N 2.89Å; L30-S33 VanDerWaalsContact O-N 3.13Å; L30-S33 PolarHBondContact O-OG 3.32Å; L30-S34 PolarHBondContact O-N 2.87Å
31	L	53.2	Low	58.3	Low	86 Å²	86	96.4 Å²	96.4	45%	0.45	52%	0.52	S	S	.	.	H	α-helix	trans	-62	-39.6	176.4	-74.1	169.5	0	0	0	111.1	V27 Y28 S33 S34 L36	V27-L31 HydrophobicContact CG1-CD1 4.02Å; V27-L31 HydrophobicContact CG1-CG 4.46Å; V27-L31 WeakPolarHBondContact O-CG 3.44Å; V27-L31 PolarHBondContact O-N 3.36Å; Y28-L31 PolarHBondContact O-N 2.78Å; L31-S33 PolarHBondContact O-N 2.98Å; L31-S34 PolarHBondContact O-N 2.75Å; L31-S34 VanDerWaalsContact O-N 3.11Å; L31-S34 PolarHBondContact O-OG 3.11Å; L31-L36 HydrophobicContact CD2-CD1 4.08Å
32	R	53.7	Low	60.5	Low	200 Å²	200	89.6 Å²	89.6	76%	0.755	49%	0.488	S	S	*	.	H	α-helix	trans	-61.4	-30.8	175.2	-137.5	179.6	179.4	120.4	2.1	113.1	Y28 E29 L30	Y28-R32 WeakPolarHBondContact O-CB 3.48Å; Y28-R32 PolarHBondContact O-N 2.93Å; E29-R32 PolarHBondContact O-N 2.92Å; L30-R32 VanDerWaalsContact C-N 3.3Å; L30-R32 PolarHBondContact O-N 2.84Å
33	S	52.6	Low	63	Low	95 Å²	95	84.3 Å²	84.3	66%	0.664	46%	0.46	S	S	*	.	H	α-helix	trans	-83.2	-12.8	177.4	74.2	0	0	0	0	114.5	E29 L30 L31 G35	E29-S33 PolarHBondContact O-N 3.21Å; L30-S33 PolarHBondContact O-N 2.89Å; L30-S33 VanDerWaalsContact O-N 3.13Å; L30-S33 PolarHBondContact O-OG 3.32Å; L31-S33 PolarHBondContact O-N 2.98Å; S33-G35 PolarHBondContact O-N 3.11Å
34	S	53.3	Low	65.5	Low	62 Å²	62	80.5 Å²	80.5	43%	0.434	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-2.3	-170.7	70.1	0	0	0	0	115.1	L30 L31 L36	L30-S34 PolarHBondContact O-N 2.87Å; L31-S34 PolarHBondContact O-N 2.75Å; L31-S34 VanDerWaalsContact O-N 3.11Å; L31-S34 PolarHBondContact O-OG 3.11Å; S34-L36 PolarHBondContact O-N 3.05Å; S34-L36 VanDerWaalsContact O-N 3.16Å; S34-L36 WeakPolarHBondContact OG-CD1 3.29Å; S34-L36 WeakPolarHBondContact OG-CG 3.07Å
35	G	50.7	Low	67.5	Low	74 Å²	74	74.5 Å²	74.5	76%	0.763	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	5	-175.9	0	0	0	0	0	114.2	S33	S33-G35 PolarHBondContact O-N 3.11Å
36	L	55.3	Low	69.9	Low	111 Å²	111	71.4 Å²	71.4	58%	0.581	38%	0.382	S	S	*	.			trans	-68.7	140.6	172.9	-71.9	171.3	0	0	0	110.2	L31 S34 D38	L31-L36 HydrophobicContact CD2-CD1 4.08Å; S34-L36 PolarHBondContact O-N 3.05Å; S34-L36 VanDerWaalsContact O-N 3.16Å; S34-L36 WeakPolarHBondContact OG-CD1 3.29Å; S34-L36 WeakPolarHBondContact OG-CG 3.07Å; L36-D38 PolarHBondContact O-N 3.21Å
37	P	59.2	Low	72.2	Confident	69 Å²	69	69.9 Å²	69.9	45%	0.448	37%	0.37	S	S	.	.			trans	-56.5	130.7	177.3	19.7	-29.3	0	0	0	110.5	V39 H117	P37-V39 VanDerWaalsContact C-N 3.25Å; P37-V39 HydrophobicContact CB-CG1 4.49Å; P37-V39 HydrophobicContact CG-CG1 4.48Å; P37-V39 PolarHBondContact O-N 3.35Å; P37-H117 HydrophobicContact CB-CB 4.37Å; P37-H117 WeakPolarHBondContact CB-CE1 3.29Å; P37-H117 WeakPolarHBondContact CB-ND1 3.22Å
38	D	67.7	Low	74	Confident	73 Å²	73	67.9 Å²	67.9	39%	0.39	36%	0.357	S	S	.	.			trans	-69.9	85.7	173.9	-172.6	-2.1	0	0	0	109.4	L36 R40 E41 H117	L36-D38 PolarHBondContact O-N 3.21Å; D38-R40 PolarHBondContact O-N 3.23Å; D38-R40 PolarHBondContact OD1-N 2.86Å; D38-R40 VanDerWaalsContact OD1-N 3.07Å; D38-E41 PolarHBondContact O-N 3.27Å; D38-E41 PolarHBondContact OD1-N 3.36Å; D38-H117 WeakPolarHBondContact O-CA 3.5Å
39	V	75.6	Confident	76.1	Confident	73 Å²	73	61.8 Å²	61.8	44%	0.442	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-3.3	178.7	-66.9	0	0	0	0	112.8	P37 H117	P37-V39 VanDerWaalsContact C-N 3.25Å; P37-V39 HydrophobicContact CB-CG1 4.49Å; P37-V39 HydrophobicContact CG-CG1 4.48Å; P37-V39 PolarHBondContact O-N 3.35Å; V39-H117 HydrophobicContact CG1-CB 4.48Å
40	R	86.5	Confident	78.2	Confident	81 Å²	81	55.4 Å²	55.4	31%	0.306	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	2.4	-179.7	-64	-61	-164.2	154.1	5.3	113	D38 R42 E115 D177	D38-R40 PolarHBondContact O-N 3.23Å; D38-R40 PolarHBondContact OD1-N 2.86Å; D38-R40 VanDerWaalsContact OD1-N 3.07Å; R40-R42 PolarHBondContact O-N 3.11Å; R40-E115 VanDerWaalsContact CD-OE1 3.29Å; R40-E115 WeakPolarHBondContact CD-OE1 3.03Å; R40-E115 IonicContact CZ-OE1 3.94Å; R40-E115 IonicContact NE-OE1 3.95Å; R40-E115 IonicContact NH1-OE1 2.75Å; R40-E115 PolarHBondContact NH1-OE1 3.32Å; R40-D177 IonicContact CZ-OD1 3.81Å; R40-D177 IonicContact NH1-OD1 3.64Å; R40-D177 PolarHBondContact NH1-OD1 2.97Å; R40-D177 IonicContact NH1-OD2 3.59Å; R40-D177 IonicContact NH2-OD1 2.98Å; R40-D177 IonicContact NH2-OD2 3.91Å
41	E	95.4	Very high	80.4	Confident	25 Å²	25	50 Å²	50	12%	0.117	28%	0.275	C	S	.	.			trans	-56.2	139.1	171.9	-173.2	-175.3	94.9	0	0	109.9	D38 E115 G116 N118 V119 V120 V159	D38-E41 PolarHBondContact O-N 3.27Å; D38-E41 PolarHBondContact OD1-N 3.36Å; E41-E115 CarbonylContact O-C 3.58Å; E41-E115 VanDerWaalsContact O-CA 3.29Å; E41-E115 WeakPolarHBondContact O-CA 3.29Å; E41-G116 PolarHBondContact O-N 2.92Å; E41-N118 VanDerWaalsContact OE1-CA 3.29Å; E41-N118 WeakPolarHBondContact OE1-CA 3.24Å; E41-V119 HydrophobicContact CB-CG1 4.22Å; E41-V119 HydrophobicContact CG-CG1 4Å; E41-V119 VanDerWaalsContact O-CG1 3.24Å; E41-V119 WeakPolarHBondContact O-CG1 3.25Å; E41-V119 PolarHBondContact OE1-N 3.46Å; E41-V120 HydrophobicContact CG-CG2 4.09Å; E41-V120 WeakPolarHBondContact OE1-CB 3.24Å; E41-V120 WeakPolarHBondContact OE1-CG2 3.48Å; E41-V120 PolarHBondContact OE1-N 3.26Å; E41-V159 HydrophobicContact CG-CG2 4.4Å; E41-V159 VanDerWaalsContact OE2-CG2 3.31Å; E41-V159 WeakPolarHBondContact OE2-CG2 3.35Å
42	R	98.1	Very high	82.5	Confident	71 Å²	71	46.8 Å²	46.8	27%	0.268	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	146	179.9	-65.6	179.8	-178.9	-178.1	-2.8	111.2	R40 V113 W114 E115 A162 I166	R40-R42 PolarHBondContact O-N 3.11Å; R42-V113 HydrophobicContact CB-CG1 4.07Å; R42-V113 HydrophobicContact CG-CG1 4.37Å; R42-W114 CarbonylContact C-O 3.57Å; R42-W114 VanDerWaalsContact CA-O 3.23Å; R42-W114 WeakPolarHBondContact CA-O 3.46Å; R42-E115 HydrophobicContact CG-CB 4.01Å; R42-E115 HydrophobicContact CG-CG 4.13Å; R42-E115 IonicContact CZ-OE2 3.17Å; R42-E115 IonicContact NE-OE2 2.74Å; R42-E115 PolarHBondContact NE-OE2 2.9Å; R42-E115 IonicContact NH2-OE2 2.75Å; R42-E115 PolarHBondContact NH2-OE2 3.12Å; R42-A162 WeakPolarHBondContact O-CB 3.44Å; R42-I166 HydrophobicContact CB-CD1 3.66Å
43	T	98.7	Very high	84.6	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	152.9	173.4	-166.3	0	0	0	0	111.5	I45 V113 W114 V119	T43-I45 HydrophobicContact CG2-CD1 4Å; T43-I45 HydrophobicContact CG2-CG1 4.07Å; T43-V113 WeakPolarHBondContact O-CA 3.24Å; T43-W114 HydrophobicContact CG2-CB 4.14Å; T43-W114 PolarHBondContact N-O 3.08Å; T43-W114 PolarHBondContact O-N 2.68Å; T43-W114 VanDerWaalsContact O-N 3.09Å; T43-V119 HydrophobicContact CG2-CB 4.42Å; T43-V119 HydrophobicContact CG2-CG1 4.08Å; T43-V119 HydrophobicContact CG2-CG2 3.66Å
44	L	98.8	Very high	86.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.6	171	-169.7	118	0	0	0	110.1	V111 S156 E165 I166 W169 F170	L44-V111 HydrophobicContact CD1-CG1 3.76Å; L44-V111 HydrophobicContact CD2-CG1 4.08Å; L44-V111 HydrophobicContact CG-CG1 4.01Å; L44-S156 WeakPolarHBondContact CB-OG 3.32Å; L44-S156 PolarHBondContact N-OG 3.43Å; L44-S156 VanDerWaalsContact N-OG 3.15Å; L44-S156 PolarHBondContact O-N 3.25Å; L44-S156 PolarHBondContact O-OG 3.41Å; L44-E165 HydrophobicContact CB-CB 4.02Å; L44-E165 HydrophobicContact CD1-CB 4.37Å; L44-E165 HydrophobicContact CD2-CB 4.13Å; L44-E165 HydrophobicContact CG-CB 4.39Å; L44-I166 HydrophobicContact CB-CG1 4.11Å; L44-I166 HydrophobicContact CD1-CG1 4.22Å; L44-W169 HydrophobicContact CD1-CB 3.87Å; L44-W169 HydrophobicContact CD1-CG 3.96Å; L44-F170 HydrophobicContact CD1-CD2 4.31Å; L44-F170 HydrophobicContact CD1-CE2 4.12Å
45	I	98.8	Very high	88.9	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.8	173	-54.2	-62.3	0	0	0	108	T43 F64 M112 V153 H154 A155	T43-I45 HydrophobicContact CG2-CD1 4Å; T43-I45 HydrophobicContact CG2-CG1 4.07Å; I45-F64 HydrophobicContact CD1-CE1 3.7Å; I45-F64 HydrophobicContact CD1-CZ 3.73Å; I45-F64 HydrophobicContact CG1-CD1 4.4Å; I45-F64 HydrophobicContact CG1-CE1 3.57Å; I45-F64 HydrophobicContact CG1-CZ 3.79Å; I45-F64 HydrophobicContact CG2-CE2 4.42Å; I45-F64 HydrophobicContact CG2-CZ 4.06Å; I45-M112 HydrophobicContact CB-CE 4.14Å; I45-M112 HydrophobicContact CG2-CE 3.78Å; I45-M112 PolarHBondContact N-O 3.37Å; I45-M112 PolarHBondContact O-N 2.8Å; I45-V153 HydrophobicContact CG2-CG2 3.63Å; I45-H154 WeakPolarHBondContact CA-O 3.31Å; I45-A155 HydrophobicContact CD1-CB 3.52Å
46	A	98.7	Very high	91.2	Very high	4 Å²	4	49.3 Å²	49.3	3%	0.033	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	120.8	174.9	0	0	0	0	0	111.2	K48 V110 V111 V153 H154	A46-K48 PolarHBondContact O-N 2.88Å; A46-V110 CarbonylContact C-O 3.52Å; A46-V110 WeakPolarHBondContact CA-O 3.24Å; A46-V111 HydrophobicContact CB-CG1 4.39Å; A46-V111 HydrophobicContact CB-CG2 4.2Å; A46-V153 CarbonylContact O-C 3.53Å; A46-V153 WeakPolarHBondContact O-CA 3.48Å; A46-H154 HydrophobicContact CB-CB 4.18Å; A46-H154 PolarHBondContact N-O 3.42Å; A46-H154 PolarHBondContact O-N 3.45Å
47	I	98.7	Very high	93.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	119	169.4	-51.3	179.8	0	0	0	107.2	V52 V57 I60 L109 V110 M112	I47-V52 HydrophobicContact CB-CG2 4.48Å; I47-V52 HydrophobicContact CG2-CG2 4.04Å; I47-V57 HydrophobicContact CD1-CB 4.26Å; I47-V57 HydrophobicContact CD1-CG1 4.18Å; I47-V57 HydrophobicContact CD1-CG2 4.25Å; I47-I60 HydrophobicContact CB-CD1 4.47Å; I47-I60 HydrophobicContact CD1-CB 3.81Å; I47-I60 HydrophobicContact CD1-CD1 3.9Å; I47-I60 HydrophobicContact CD1-CG1 4.45Å; I47-I60 HydrophobicContact CD1-CG2 3.9Å; I47-I60 HydrophobicContact CG1-CB 4.39Å; I47-I60 HydrophobicContact CG1-CD1 3.92Å; I47-I60 HydrophobicContact CG1-CG2 4.07Å; I47-I60 HydrophobicContact CG2-CD1 3.87Å; I47-L109 WeakPolarHBondContact O-CA 3.32Å; I47-V110 HydrophobicContact CB-CB 4.15Å; I47-V110 HydrophobicContact CD1-CB 4.25Å; I47-V110 HydrophobicContact CG1-CB 4.37Å; I47-V110 PolarHBondContact N-O 3.39Å; I47-V110 PolarHBondContact O-N 2.65Å; I47-V110 VanDerWaalsContact O-N 3.13Å; I47-M112 HydrophobicContact CD1-CE 3.85Å; I47-M112 HydrophobicContact CG1-CE 3.78Å
48	K	98.5	Very high	95.2	Very high	15 Å²	15	45 Å²	45	7%	0.065	22%	0.215	C	C	.	.			trans	-76.2	167.3	-175.2	-60.8	-174	179.2	-175.7	0	111.2	A46 D50 G51 V52 Y103 M104 N151 V152	A46-K48 PolarHBondContact O-N 2.88Å; K48-D50 VanDerWaalsContact C-N 3.27Å; K48-D50 VanDerWaalsContact CB-OD1 3.25Å; K48-D50 WeakPolarHBondContact CB-OD1 3.4Å; K48-D50 PolarHBondContact O-N 3.44Å; K48-D50 VanDerWaalsContact O-N 3.16Å; K48-G51 WeakPolarHBondContact O-CA 3.28Å; K48-G51 PolarHBondContact O-N 3.43Å; K48-V52 PolarHBondContact O-N 2.84Å; K48-V52 VanDerWaalsContact O-N 3.11Å; K48-Y103 VanDerWaalsContact CB-OH 3.26Å; K48-Y103 WeakPolarHBondContact CB-OH 3.4Å; K48-Y103 HydrophobicContact CD-CE1 3.76Å; K48-Y103 VanDerWaalsContact CD-OH 3.24Å; K48-Y103 WeakPolarHBondContact CD-OH 3.15Å; K48-M104 HydrophobicContact CB-SD 4.22Å; K48-M104 HydrophobicContact CD-SD 3.88Å; K48-M104 HydrophobicContact CG-CE 4.24Å; K48-M104 HydrophobicContact CG-SD 3.81Å; K48-N151 PolarHBondContact NZ-OD1 3.04Å; K48-V152 WeakPolarHBondContact CB-O 3.44Å; K48-V152 PolarHBondContact N-O 2.95Å
49	P	98.6	Very high	96.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-53.9	-38.3	-175.4	-32.4	39.5	0	0	0	115.3	V52 Q53 Y103 P108 L109	P49-V52 PolarHBondContact O-N 3.43Å; P49-Q53 VanDerWaalsContact O-CB 3.3Å; P49-Q53 WeakPolarHBondContact O-CB 3.16Å; P49-Q53 WeakPolarHBondContact O-CG 3.49Å; P49-Q53 PolarHBondContact O-N 3.33Å; P49-Y103 HydrophobicContact CB-CE2 4.49Å; P49-P108 WeakPolarHBondContact CA-O 3.49Å; P49-L109 HydrophobicContact CG-CG 4.26Å
50	D	97.9	Very high	97.7	Very high	10 Å²	10	43 Å²	43	5%	0.053	20%	0.198	C	C	.	.	H	α-helix	trans	-65.4	-38.6	174.8	60.8	-40	0	0	0	112.9	K48 V52 R54 Y103 R150 V152	K48-D50 VanDerWaalsContact C-N 3.27Å; K48-D50 VanDerWaalsContact CB-OD1 3.25Å; K48-D50 WeakPolarHBondContact CB-OD1 3.4Å; K48-D50 PolarHBondContact O-N 3.44Å; K48-D50 VanDerWaalsContact O-N 3.16Å; D50-V52 VanDerWaalsContact C-N 3.34Å; D50-R54 WeakPolarHBondContact O-CB 3.45Å; D50-R54 WeakPolarHBondContact O-CD 3.41Å; D50-R54 WeakPolarHBondContact O-CG 3.47Å; D50-R54 PolarHBondContact O-N 3.19Å; D50-Y103 HydrophobicContact CB-CE2 4.4Å; D50-Y103 PolarHBondContact OD1-OH 3.05Å; D50-Y103 PolarHBondContact OD2-OH 3.45Å; D50-R150 WeakPolarHBondContact OD2-CA 3.3Å; D50-V152 WeakPolarHBondContact OD2-CA 3.25Å; D50-V152 PolarHBondContact OD2-N 3.26Å; D50-V152 VanDerWaalsContact OD2-N 3.12Å
51	G	98.2	Very high	98.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.9	-41.5	174.8	0	0	0	0	0	112	K48 R55 L56	K48-G51 WeakPolarHBondContact O-CA 3.28Å; K48-G51 PolarHBondContact O-N 3.43Å; G51-R55 PolarHBondContact O-N 3.02Å; G51-L56 WeakPolarHBondContact O-CB 3.35Å; G51-L56 PolarHBondContact O-N 3.29Å
52	V	98.4	Very high	98.4	Very high	20 Å²	20	42.9 Å²	42.9	12%	0.121	20%	0.202	C	C	.	.	H	α-helix	trans	-68.5	-50	176.2	-178.4	0	0	0	0	111.4	I47 K48 P49 D50 R54 R55 V57 M76 P108 V110	I47-V52 HydrophobicContact CB-CG2 4.48Å; I47-V52 HydrophobicContact CG2-CG2 4.04Å; K48-V52 PolarHBondContact O-N 2.84Å; K48-V52 VanDerWaalsContact O-N 3.11Å; P49-V52 PolarHBondContact O-N 3.43Å; D50-V52 VanDerWaalsContact C-N 3.34Å; V52-R54 PolarHBondContact O-N 2.98Å; V52-R55 PolarHBondContact O-N 3.21Å; V52-V57 HydrophobicContact CG1-CG2 4.5Å; V52-V57 HydrophobicContact CG2-CG2 4.15Å; V52-M76 HydrophobicContact CG1-CE 3.82Å; V52-P108 HydrophobicContact CB-CG 4.48Å; V52-P108 HydrophobicContact CG1-CG 3.84Å; V52-P108 WeakPolarHBondContact CG2-O 3.19Å; V52-V110 HydrophobicContact CG2-CG2 4.05Å
53	Q	97.8	Very high	98.5	Very high	119 Å²	119	42 Å²	42	56%	0.556	20%	0.198	S	C	*	.	H	α-helix	trans	-60	-30.5	180	-73.5	168	1.3	0	0	112.6	P49 R55	P49-Q53 VanDerWaalsContact O-CB 3.3Å; P49-Q53 WeakPolarHBondContact O-CB 3.16Å; P49-Q53 WeakPolarHBondContact O-CG 3.49Å; P49-Q53 PolarHBondContact O-N 3.33Å; Q53-R55 VanDerWaalsContact C-N 3.32Å
54	R	97.8	Very high	98.4	Very high	123 Å²	123	42 Å²	42	46%	0.464	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	8.5	176.2	-66.5	170.5	59.8	-149.5	-1.9	113.9	D50 V52 L56 F144	D50-R54 WeakPolarHBondContact O-CB 3.45Å; D50-R54 WeakPolarHBondContact O-CD 3.41Å; D50-R54 WeakPolarHBondContact O-CG 3.47Å; D50-R54 PolarHBondContact O-N 3.19Å; V52-R54 PolarHBondContact O-N 2.98Å; R54-L56 VanDerWaalsContact C-N 3.31Å; R54-L56 HydrophobicContact CB-CD1 4.24Å; R54-L56 HydrophobicContact CB-CG 4.09Å; R54-L56 PolarHBondContact O-N 2.95Å; R54-F144 VanDerWaalsContact CZ-O 3.23Å; R54-F144 PolarHBondContact NH1-O 3.15Å; R54-F144 PolarHBondContact NH2-O 3.36Å
55	R	98.1	Very high	98.4	Very high	224 Å²	224	47.1 Å²	47.1	85%	0.845	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	35.1	174.8	-50.6	170.4	-175.8	131.8	-0.4	113.2	G51 V52 Q53	G51-R55 PolarHBondContact O-N 3.02Å; V52-R55 PolarHBondContact O-N 3.21Å; Q53-R55 VanDerWaalsContact C-N 3.32Å
56	L	98.6	Very high	98.2	Very high	18 Å²	18	53.7 Å²	53.7	9%	0.094	25%	0.253	C	S	.	.			trans	-90.7	2	-178.5	-60.2	177.4	0	0	0	113.8	G51 R54 G58 Q59 I60 F144 V152	G51-L56 WeakPolarHBondContact O-CB 3.35Å; G51-L56 PolarHBondContact O-N 3.29Å; R54-L56 VanDerWaalsContact C-N 3.31Å; R54-L56 HydrophobicContact CB-CD1 4.24Å; R54-L56 HydrophobicContact CB-CG 4.09Å; R54-L56 PolarHBondContact O-N 2.95Å; L56-G58 PolarHBondContact O-N 3.16Å; L56-Q59 PolarHBondContact O-N 2.87Å; L56-I60 HydrophobicContact CB-CD1 4.11Å; L56-I60 WeakPolarHBondContact O-CG1 3.35Å; L56-I60 PolarHBondContact O-N 2.85Å; L56-F144 HydrophobicContact CD1-CB 3.77Å; L56-F144 HydrophobicContact CD1-CD1 4.46Å; L56-F144 HydrophobicContact CD1-CG 4.07Å; L56-F144 HydrophobicContact CD2-CD1 4.07Å; L56-F144 HydrophobicContact CD2-CE1 4.33Å; L56-F144 HydrophobicContact CD2-CG 4.37Å; L56-V152 HydrophobicContact CD1-CG1 3.99Å; L56-V152 HydrophobicContact CD1-CG2 4.12Å
57	V	98.8	Very high	98	Very high	38 Å²	38	60.8 Å²	60.8	23%	0.23	28%	0.279	C	S	.	.	H	α-helix	trans	-55.3	-55.1	-175.9	177.2	0	0	0	0	112	I47 V52 Q59 I60 I61 V110	I47-V57 HydrophobicContact CD1-CB 4.26Å; I47-V57 HydrophobicContact CD1-CG1 4.18Å; I47-V57 HydrophobicContact CD1-CG2 4.25Å; V52-V57 HydrophobicContact CG1-CG2 4.5Å; V52-V57 HydrophobicContact CG2-CG2 4.15Å; V57-Q59 VanDerWaalsContact C-N 3.33Å; V57-Q59 PolarHBondContact O-N 3.13Å; V57-I60 PolarHBondContact O-N 2.79Å; V57-I61 HydrophobicContact CG1-CD1 3.81Å; V57-I61 WeakPolarHBondContact O-CG1 3.35Å; V57-I61 PolarHBondContact O-N 2.82Å; V57-V110 HydrophobicContact CG1-CG1 4.41Å; V57-V110 HydrophobicContact CG1-CG2 4.1Å; V57-V110 HydrophobicContact CG2-CG2 3.85Å
58	G	98.6	Very high	97.8	Very high	51 Å²	51	62.8 Å²	62.8	53%	0.526	30%	0.3	S	S	.	.	H	α-helix	trans	-62.4	-39.7	179.6	0	0	0	0	0	112.7	L56 I60 I61 H62	L56-G58 PolarHBondContact O-N 3.16Å; G58-I60 VanDerWaalsContact C-N 3.33Å; G58-I60 PolarHBondContact O-N 2.87Å; G58-I61 PolarHBondContact O-N 3.14Å; G58-H62 WeakPolarHBondContact O-CB 3.47Å; G58-H62 PolarHBondContact O-N 3.44Å
59	Q	98.4	Very high	97.7	Very high	104 Å²	104	63.1 Å²	63.1	49%	0.486	30%	0.301	S	S	.	.	H	α-helix	trans	-63.7	-38.6	179.2	-67.9	-66.2	-12.5	0	0	112.5	L56 V57 R63 F144	L56-Q59 PolarHBondContact O-N 2.87Å; V57-Q59 VanDerWaalsContact C-N 3.33Å; V57-Q59 PolarHBondContact O-N 3.13Å; Q59-R63 PolarHBondContact O-N 2.88Å; Q59-F144 HydrophobicContact CB-CZ 4.33Å
60	I	98.6	Very high	97.6	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-72.4	-49	178.3	-67.5	165.9	0	0	0	109.9	I47 L56 V57 G58 H62 R63 F64 M112 V140 V152	I47-I60 HydrophobicContact CB-CD1 4.47Å; I47-I60 HydrophobicContact CD1-CB 3.81Å; I47-I60 HydrophobicContact CD1-CD1 3.9Å; I47-I60 HydrophobicContact CD1-CG1 4.45Å; I47-I60 HydrophobicContact CD1-CG2 3.9Å; I47-I60 HydrophobicContact CG1-CB 4.39Å; I47-I60 HydrophobicContact CG1-CD1 3.92Å; I47-I60 HydrophobicContact CG1-CG2 4.07Å; I47-I60 HydrophobicContact CG2-CD1 3.87Å; L56-I60 HydrophobicContact CB-CD1 4.11Å; L56-I60 WeakPolarHBondContact O-CG1 3.35Å; L56-I60 PolarHBondContact O-N 2.85Å; V57-I60 PolarHBondContact O-N 2.79Å; G58-I60 VanDerWaalsContact C-N 3.33Å; G58-I60 PolarHBondContact O-N 2.87Å; I60-H62 VanDerWaalsContact C-N 3.26Å; I60-H62 PolarHBondContact O-N 2.93Å; I60-R63 PolarHBondContact O-N 2.82Å; I60-R63 VanDerWaalsContact O-N 3.15Å; I60-F64 HydrophobicContact CG2-CD2 4.38Å; I60-F64 HydrophobicContact CG2-CE2 4.14Å; I60-F64 VanDerWaalsContact O-CD2 3.32Å; I60-F64 WeakPolarHBondContact O-CD2 3.23Å; I60-F64 PolarHBondContact O-N 3.09Å; I60-M112 HydrophobicContact CG2-CE 4.43Å; I60-V140 HydrophobicContact CD1-CG1 4.21Å; I60-V140 HydrophobicContact CG1-CG1 4Å; I60-V152 HydrophobicContact CD1-CG1 3.57Å
61	I	98.8	Very high	97.5	Very high	24 Å²	24	64.8 Å²	64.8	12%	0.123	31%	0.309	C	S	.	.	H	α-helix	trans	-53.8	-48.1	176.5	-70.8	171.6	0	0	0	110.2	V57 G58 R63 F64 E65 L74 M112 W114	V57-I61 HydrophobicContact CG1-CD1 3.81Å; V57-I61 WeakPolarHBondContact O-CG1 3.35Å; V57-I61 PolarHBondContact O-N 2.82Å; G58-I61 PolarHBondContact O-N 3.14Å; I61-R63 VanDerWaalsContact C-N 3.27Å; I61-R63 PolarHBondContact O-N 2.93Å; I61-F64 PolarHBondContact O-N 2.74Å; I61-E65 HydrophobicContact CG2-CG 3.98Å; I61-E65 WeakPolarHBondContact O-CG 3.44Å; I61-E65 PolarHBondContact O-N 2.75Å; I61-L74 HydrophobicContact CD1-CD1 3.86Å; I61-M112 HydrophobicContact CD1-SD 4.05Å; I61-M112 HydrophobicContact CG1-CE 4.49Å; I61-M112 HydrophobicContact CG1-SD 3.54Å; I61-M112 VanDerWaalsContact CG1-SD 3.54Å; I61-W114 HydrophobicContact CG1-CZ2 4.5Å; I61-W114 HydrophobicContact CG2-CH2 4.13Å; I61-W114 HydrophobicContact CG2-CZ2 4.24Å
62	H	98.5	Very high	97.6	Very high	79 Å²	79	64.9 Å²	64.9	37%	0.366	31%	0.31	S	S	.	.	H	α-helix	trans	-54.1	-40	-179.7	-177.9	63.4	0	0	0	113.2	G58 I60 F64 E65 Q66	G58-H62 WeakPolarHBondContact O-CB 3.47Å; G58-H62 PolarHBondContact O-N 3.44Å; I60-H62 VanDerWaalsContact C-N 3.26Å; I60-H62 PolarHBondContact O-N 2.93Å; H62-F64 VanDerWaalsContact C-N 3.33Å; H62-F64 PolarHBondContact O-N 3.26Å; H62-E65 PolarHBondContact O-N 3.07Å; H62-Q66 PolarHBondContact CE1-NE2 2.57Å; H62-Q66 VanDerWaalsContact CE1-NE2 3.27Å; H62-Q66 PolarHBondContact NE2-NE2 2.8Å; H62-Q66 PolarHBondContact NE2-OE1 3.03Å; H62-Q66 VanDerWaalsContact O-CB 3.28Å; H62-Q66 WeakPolarHBondContact O-CB 3.23Å; H62-Q66 VanDerWaalsContact O-CG 3.3Å; H62-Q66 WeakPolarHBondContact O-CG 3.42Å; H62-Q66 PolarHBondContact O-N 2.81Å
63	R	98.4	Very high	97.6	Very high	54 Å²	54	64.2 Å²	64.2	20%	0.204	31%	0.307	C	S	.	.	H	α-helix	trans	-64.4	-37.3	177.8	-72.4	-172.7	-175.1	-153.3	0.8	112.9	Q59 I60 I61 R67 M126 G138 T139 D143	Q59-R63 PolarHBondContact O-N 2.88Å; I60-R63 PolarHBondContact O-N 2.82Å; I60-R63 VanDerWaalsContact O-N 3.15Å; I61-R63 VanDerWaalsContact C-N 3.27Å; I61-R63 PolarHBondContact O-N 2.93Å; R63-R67 WeakPolarHBondContact O-CB 3.42Å; R63-R67 PolarHBondContact O-N 3.27Å; R63-R67 VanDerWaalsContact O-N 3.16Å; R63-M126 HydrophobicContact CB-CE 4.1Å; R63-M126 VanDerWaalsContact O-CE 3.23Å; R63-M126 WeakPolarHBondContact O-CE 3.35Å; R63-G138 PolarHBondContact NH1-O 3.01Å; R63-T139 VanDerWaalsContact NH1-C 3.28Å; R63-T139 PolarHBondContact NH1-O 3.47Å; R63-D143 IonicContact CZ-OD2 3.18Å; R63-D143 IonicContact NH1-OD2 2.8Å; R63-D143 PolarHBondContact NH1-OD2 3.45Å; R63-D143 IonicContact NH2-OD2 2.65Å; R63-D143 PolarHBondContact NH2-OD2 2.89Å
64	F	98.3	Very high	97.6	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-75.6	-39.1	179	-75.9	-106.8	0	0	0	111.3	I45 I60 I61 H62 R67 G68 F69 W114 S123 M126 V127	I45-F64 HydrophobicContact CD1-CE1 3.7Å; I45-F64 HydrophobicContact CD1-CZ 3.73Å; I45-F64 HydrophobicContact CG1-CD1 4.4Å; I45-F64 HydrophobicContact CG1-CE1 3.57Å; I45-F64 HydrophobicContact CG1-CZ 3.79Å; I45-F64 HydrophobicContact CG2-CE2 4.42Å; I45-F64 HydrophobicContact CG2-CZ 4.06Å; I60-F64 HydrophobicContact CG2-CD2 4.38Å; I60-F64 HydrophobicContact CG2-CE2 4.14Å; I60-F64 VanDerWaalsContact O-CD2 3.32Å; I60-F64 WeakPolarHBondContact O-CD2 3.23Å; I60-F64 PolarHBondContact O-N 3.09Å; I61-F64 PolarHBondContact O-N 2.74Å; H62-F64 VanDerWaalsContact C-N 3.33Å; H62-F64 PolarHBondContact O-N 3.26Å; F64-R67 WeakPolarHBondContact O-CB 3.42Å; F64-R67 PolarHBondContact O-N 3.42Å; F64-G68 PolarHBondContact O-N 3.47Å; F64-F69 AromaticContact CD1-CD2 3.88Å; F64-F69 HydrophobicContact CD1-CD2 3.88Å; F64-F69 PolarHBondContact O-N 2.94Å; F64-F69 VanDerWaalsContact O-N 3.14Å; F64-W114 HydrophobicContact CB-CD2 3.72Å; F64-W114 HydrophobicContact CB-CE3 3.79Å; F64-W114 HydrophobicContact CB-CH2 3.57Å; F64-W114 HydrophobicContact CB-CZ2 3.48Å; F64-W114 VanDerWaalsContact CB-CZ2 3.48Å; F64-W114 HydrophobicContact CB-CZ3 3.71Å; F64-W114 HydrophobicContact CD1-CB 4.47Å; F64-W114 AromaticContact CD1-CD1 3.87Å; F64-W114 AromaticContact CD1-CD2 3.92Å; F64-W114 HydrophobicContact CD1-CD2 3.92Å; F64-W114 AromaticContact CD1-CG 3.83Å; F64-W114 HydrophobicContact CD1-CG 3.83Å; F64-W114 AromaticContact CD1-NE1 3.95Å; F64-W114 HydrophobicContact CG-CD2 4.12Å; F64-W114 AromaticContact CG-CE2 3.86Å; F64-W114 HydrophobicContact CG-CG 4.47Å; F64-W114 HydrophobicContact CG-CZ2 4.18Å; F64-S123 VanDerWaalsContact CE1-OG 3.28Å; F64-S123 WeakPolarHBondContact CE1-OG 3.33Å; F64-M126 HydrophobicContact CD2-CE 4.23Å; F64-M126 HydrophobicContact CE2-CE 4.48Å; F64-M126 HydrophobicContact CG-CE 4.31Å; F64-V127 HydrophobicContact CZ-CG2 4.27Å
65	E	97.3	Very high	97.6	Very high	107 Å²	107	59.9 Å²	59.9	50%	0.5	29%	0.294	S	S	.	.	H	α-helix	trans	-62	-49.1	172.3	-65.1	-179.4	140.9	0	0	111.3	I61 H62 R67 G68 W114	I61-E65 HydrophobicContact CG2-CG 3.98Å; I61-E65 WeakPolarHBondContact O-CG 3.44Å; I61-E65 PolarHBondContact O-N 2.75Å; H62-E65 PolarHBondContact O-N 3.07Å; E65-R67 PolarHBondContact O-N 3.09Å; E65-G68 WeakPolarHBondContact O-CA 3.29Å; E65-G68 PolarHBondContact O-N 3.01Å; E65-W114 HydrophobicContact CG-CH2 3.7Å; E65-W114 HydrophobicContact CG-CZ3 4.08Å
66	Q	96	Very high	97.6	Very high	138 Å²	138	54.9 Å²	54.9	65%	0.645	28%	0.281	S	S	*	.	H	α-helix	trans	-61.1	-27.7	177.2	-78.8	-170.2	-37.3	0	0	113.2	H62 G68	H62-Q66 PolarHBondContact CE1-NE2 2.57Å; H62-Q66 VanDerWaalsContact CE1-NE2 3.27Å; H62-Q66 PolarHBondContact NE2-NE2 2.8Å; H62-Q66 PolarHBondContact NE2-OE1 3.03Å; H62-Q66 VanDerWaalsContact O-CB 3.28Å; H62-Q66 WeakPolarHBondContact O-CB 3.23Å; H62-Q66 VanDerWaalsContact O-CG 3.3Å; H62-Q66 WeakPolarHBondContact O-CG 3.42Å; H62-Q66 PolarHBondContact O-N 2.81Å; Q66-G68 PolarHBondContact O-N 3.31Å
67	R	94.4	Very high	97.6	Very high	153 Å²	153	56.2 Å²	56.2	58%	0.577	29%	0.288	S	S	*	.	H	α-helix	trans	-70.8	-19.3	174.2	-173.3	58	175	154.6	3.2	112.4	R63 F64 E65 F69 T122 M126	R63-R67 WeakPolarHBondContact O-CB 3.42Å; R63-R67 PolarHBondContact O-N 3.27Å; R63-R67 VanDerWaalsContact O-N 3.16Å; F64-R67 WeakPolarHBondContact O-CB 3.42Å; F64-R67 PolarHBondContact O-N 3.42Å; E65-R67 PolarHBondContact O-N 3.09Å; R67-F69 HydrophobicContact CB-CD2 4.03Å; R67-F69 HydrophobicContact CB-CE2 4.12Å; R67-F69 HydrophobicContact CG-CD2 3.89Å; R67-F69 HydrophobicContact CG-CE1 4.45Å; R67-F69 HydrophobicContact CG-CE2 3.5Å; R67-F69 VanDerWaalsContact CG-CE2 3.5Å; R67-F69 HydrophobicContact CG-CZ 3.79Å; R67-T122 HydrophobicContact CG-CG2 4.41Å; R67-M126 HydrophobicContact CB-CE 3.92Å; R67-M126 HydrophobicContact CB-SD 3.96Å; R67-M126 HydrophobicContact CG-CE 4.3Å; R67-M126 HydrophobicContact CG-SD 3.64Å
68	G	93.7	Very high	97.6	Very high	42 Å²	42	61 Å²	61	43%	0.433	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	14.9	-175.5	0	0	0	0	0	113.8	F64 E65 Q66	F64-G68 PolarHBondContact O-N 3.47Å; E65-G68 WeakPolarHBondContact O-CA 3.29Å; E65-G68 PolarHBondContact O-N 3.01Å; Q66-G68 PolarHBondContact O-N 3.31Å
69	F	95.8	Very high	97.5	Very high	21 Å²	21	58.9 Å²	58.9	9%	0.092	29%	0.286	C	S	.	.			trans	-78	144.8	174.4	-64.3	-43.8	0	0	0	111.4	F64 R67 W114 V119 T122 M126	F64-F69 AromaticContact CD1-CD2 3.88Å; F64-F69 HydrophobicContact CD1-CD2 3.88Å; F64-F69 PolarHBondContact O-N 2.94Å; F64-F69 VanDerWaalsContact O-N 3.14Å; R67-F69 HydrophobicContact CB-CD2 4.03Å; R67-F69 HydrophobicContact CB-CE2 4.12Å; R67-F69 HydrophobicContact CG-CD2 3.89Å; R67-F69 HydrophobicContact CG-CE1 4.45Å; R67-F69 HydrophobicContact CG-CE2 3.5Å; R67-F69 VanDerWaalsContact CG-CE2 3.5Å; R67-F69 HydrophobicContact CG-CZ 3.79Å; F69-W114 HydrophobicContact CB-CB 4.41Å; F69-W114 HydrophobicContact CB-CD2 4.39Å; F69-W114 HydrophobicContact CB-CE3 3.63Å; F69-W114 HydrophobicContact CB-CZ3 4.32Å; F69-W114 WeakPolarHBondContact O-CZ3 3.28Å; F69-V119 HydrophobicContact CB-CG2 4.49Å; F69-V119 HydrophobicContact CD1-CB 4.06Å; F69-V119 HydrophobicContact CD1-CG2 3.64Å; F69-V119 HydrophobicContact CD2-CG2 3.88Å; F69-V119 HydrophobicContact CE1-CB 3.81Å; F69-V119 HydrophobicContact CE1-CG2 3.71Å; F69-V119 HydrophobicContact CE2-CG2 3.91Å; F69-V119 HydrophobicContact CG-CG2 3.75Å; F69-V119 HydrophobicContact CZ-CB 4.16Å; F69-V119 HydrophobicContact CZ-CG2 3.85Å; F69-T122 HydrophobicContact CE2-CG2 4.01Å; F69-T122 HydrophobicContact CZ-CG2 3.59Å; F69-M126 HydrophobicContact CE2-SD 3.85Å
70	K	96.1	Very high	97.5	Very high	7 Å²	7	57 Å²	57	3%	0.03	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	121	-179.5	-172.1	173.1	65.3	-173.4	0	110	V72 W114 E115 W178	K70-V72 HydrophobicContact CD-CG1 4.31Å; K70-V72 HydrophobicContact CG-CG1 4.04Å; K70-V72 PolarHBondContact O-N 2.92Å; K70-W114 CarbonylContact O-C 3.56Å; K70-W114 WeakPolarHBondContact O-CA 3.46Å; K70-E115 HydrophobicContact CB-CB 4.34Å; K70-E115 WeakPolarHBondContact CE-OE1 3.27Å; K70-E115 PolarHBondContact N-O 2.92Å; K70-E115 IonicContact NZ-OE1 2.78Å; K70-E115 PolarHBondContact NZ-OE1 3.39Å; K70-E115 PolarHBondContact O-N 3.02Å; K70-W178 HydrophobicContact CD-CD2 4Å; K70-W178 HydrophobicContact CD-CE3 4.48Å; K70-W178 HydrophobicContact CD-CG 4.38Å; K70-W178 HydrophobicContact CD-CZ2 4.05Å; K70-W178 VanDerWaalsContact CD-O 3.28Å; K70-W178 WeakPolarHBondContact CD-O 3.39Å; K70-W178 WeakPolarHBondContact CE-O 3.27Å; K70-W178 HydrophobicContact CG-CD2 4.23Å; K70-W178 VanDerWaalsContact CG-CE2 3.48Å; K70-W178 HydrophobicContact CG-CH2 4.03Å; K70-W178 HydrophobicContact CG-CZ2 3.39Å; K70-W178 PolarHBondContact NZ-O 3.4Å
71	L	97.9	Very high	97.4	Very high	38 Å²	38	63 Å²	63	20%	0.199	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	114.5	173.3	-174.9	60.7	0	0	0	109.4	G73 L74 M112 W114 W178	L71-G73 WeakPolarHBondContact CD1-O 3.43Å; L71-L74 HydrophobicContact CD1-CB 4.41Å; L71-L74 HydrophobicContact CD2-CB 4.27Å; L71-L74 HydrophobicContact CD2-CD1 3.83Å; L71-M112 HydrophobicContact CD1-CB 3.99Å; L71-M112 HydrophobicContact CD1-CG 4.28Å; L71-W114 HydrophobicContact CB-CE3 4.03Å; L71-W114 HydrophobicContact CB-CH2 3.84Å; L71-W114 HydrophobicContact CB-CZ2 4.37Å; L71-W114 HydrophobicContact CB-CZ3 3.67Å; L71-W114 HydrophobicContact CD1-CD2 4.07Å; L71-W114 HydrophobicContact CD1-CE3 4.4Å; L71-W114 HydrophobicContact CD1-CH2 4.12Å; L71-W114 HydrophobicContact CD1-CZ2 3.77Å; L71-W114 HydrophobicContact CD1-CZ3 4.44Å; L71-W114 HydrophobicContact CD2-CH2 4.37Å; L71-W114 HydrophobicContact CD2-CZ2 4.5Å; L71-W114 HydrophobicContact CG-CH2 4.33Å; L71-W114 HydrophobicContact CG-CZ2 4.44Å; L71-W178 PolarHBondContact O-NE1 3.02Å
72	V	98.3	Very high	97.3	Very high	2 Å²	2	68 Å²	68	1%	0.012	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-11.3	-176.7	-63.4	0	0	0	0	113.3	K70 V113 E115 L175 L176	K70-V72 HydrophobicContact CD-CG1 4.31Å; K70-V72 HydrophobicContact CG-CG1 4.04Å; K70-V72 PolarHBondContact O-N 2.92Å; V72-V113 HydrophobicContact CG2-CB 3.87Å; V72-V113 HydrophobicContact CG2-CG1 3.57Å; V72-V113 WeakPolarHBondContact CG2-O 3.49Å; V72-V113 PolarHBondContact N-O 3.36Å; V72-E115 HydrophobicContact CG1-CB 3.79Å; V72-E115 HydrophobicContact CG2-CB 4.18Å; V72-L175 CarbonylContact O-C 3.59Å; V72-L175 WeakPolarHBondContact O-CA 3.44Å; V72-L176 WeakPolarHBondContact CB-O 3.38Å; V72-L176 PolarHBondContact O-N 3.2Å
73	G	98.5	Very high	97.2	Very high	6 Å²	6	65.6 Å²	65.6	6%	0.062	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	140.2	172.7	0	0	0	0	0	110.7	L71 M112 V113	L71-G73 WeakPolarHBondContact CD1-O 3.43Å; G73-M112 CarbonylContact O-C 3.59Å; G73-M112 VanDerWaalsContact O-CA 3.23Å; G73-M112 WeakPolarHBondContact O-CA 3.35Å; G73-V113 PolarHBondContact N-O 3.39Å; G73-V113 PolarHBondContact O-N 2.89Å
74	L	98.6	Very high	97.2	Very high	88 Å²	88	63 Å²	63	46%	0.461	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	131.6	177.1	-179.4	147.2	0	0	0	109.6	I61 L71 V110 V111 M112	I61-L74 HydrophobicContact CD1-CD1 3.86Å; L71-L74 HydrophobicContact CD1-CB 4.41Å; L71-L74 HydrophobicContact CD2-CB 4.27Å; L71-L74 HydrophobicContact CD2-CD1 3.83Å; L74-V110 HydrophobicContact CD1-CG1 4.45Å; L74-V110 HydrophobicContact CG-CG1 4.35Å; L74-V111 WeakPolarHBondContact CA-O 3.14Å; L74-M112 HydrophobicContact CB-CG 4.46Å; L74-M112 HydrophobicContact CD1-CG 4.07Å; L74-M112 HydrophobicContact CD1-SD 4.22Å; L74-M112 HydrophobicContact CG-CG 4.16Å
75	K	98.3	Very high	97.1	Very high	64 Å²	64	64.1 Å²	64.1	28%	0.278	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	144.7	167.6	58.7	174.8	-176.7	179.7	0	112.2	L77 V110 V111 W169 F170	K75-L77 HydrophobicContact CD-CD1 4.49Å; K75-L77 HydrophobicContact CD-CD2 4.16Å; K75-L77 HydrophobicContact CG-CD2 3.96Å; K75-V110 WeakPolarHBondContact O-CA 3.38Å; K75-V111 HydrophobicContact CG-CB 4.49Å; K75-V111 PolarHBondContact N-O 2.94Å; K75-V111 PolarHBondContact O-N 2.8Å; K75-W169 WeakPolarHBondContact CE-O 3.21Å; K75-W169 PolarHBondContact NZ-O 2.98Å; K75-F170 HydrophobicContact CD-CE1 4.23Å; K75-F170 HydrophobicContact CD-CZ 4.42Å; K75-F170 HydrophobicContact CG-CE1 3.95Å; K75-F170 HydrophobicContact CG-CZ 3.9Å
76	M	98.6	Very high	97.1	Very high	119 Å²	119	64 Å²	64	59%	0.586	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	129.4	169.2	-175	174.4	177.5	0	0	108.9	V52 P108 L109 V110	V52-M76 HydrophobicContact CG1-CE 3.82Å; M76-P108 HydrophobicContact CE-CB 3.6Å; M76-P108 HydrophobicContact CE-CG 3.82Å; M76-L109 VanDerWaalsContact CA-O 3.27Å; M76-L109 WeakPolarHBondContact CA-O 3.29Å; M76-V110 HydrophobicContact CB-CG2 4.22Å; M76-V110 HydrophobicContact CG-CG2 4.08Å; M76-V110 HydrophobicContact SD-CG2 4.44Å
77	L	98.4	Very high	97.2	Very high	45 Å²	45	58.6 Å²	58.6	24%	0.236	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	162.4	-178.1	69.4	168.9	0	0	0	111.8	K75 P108 L109 V111 W169	K75-L77 HydrophobicContact CD-CD1 4.49Å; K75-L77 HydrophobicContact CD-CD2 4.16Å; K75-L77 HydrophobicContact CG-CD2 3.96Å; L77-P108 CarbonylContact O-C 3.54Å; L77-P108 WeakPolarHBondContact O-CA 3.43Å; L77-L109 PolarHBondContact N-O 3.3Å; L77-L109 PolarHBondContact O-N 3.31Å; L77-V111 HydrophobicContact CD2-CG2 3.83Å; L77-W169 HydrophobicContact CD1-CE3 4.44Å; L77-W169 HydrophobicContact CD1-CZ3 4.09Å; L77-W169 HydrophobicContact CD2-CZ3 4.37Å
78	Q	98.1	Very high	97.2	Very high	139 Å²	139	52 Å²	52	65%	0.65	28%	0.277	S	S	*	.			trans	-95.3	114.8	162	-172.2	164.3	-0.9	0	0	108.2
79	A	97.4	Very high	97.3	Very high	7 Å²	7	52.1 Å²	52.1	6%	0.058	27%	0.271	C	S	.	.			trans	-75.4	139.1	-175.7	0	0	0	0	0	111.6	V83 L84 L109 W169	A79-V83 HydrophobicContact CB-CG1 3.91Å; A79-L84 HydrophobicContact CB-CD1 3.9Å; A79-L84 HydrophobicContact CB-CD2 4.15Å; A79-L84 HydrophobicContact CB-CG 3.87Å; A79-L109 HydrophobicContact CB-CD1 3.65Å; A79-W169 HydrophobicContact CB-CH2 3.73Å; A79-W169 HydrophobicContact CB-CZ3 4.05Å
80	S	96.9	Very high	97.3	Very high	63 Å²	63	57.9 Å²	57.9	44%	0.441	30%	0.302	S	S	.	.			trans	-71.8	159.6	171.9	68.2	0	0	0	0	111.2	D82 V83 L84	S80-D82 PolarHBondContact O-N 3.39Å; S80-V83 WeakPolarHBondContact O-CG1 3.41Å; S80-V83 PolarHBondContact OG-N 2.98Å; S80-L84 WeakPolarHBondContact O-CG 3.23Å; S80-L84 PolarHBondContact O-N 3.15Å
81	Q	96.4	Very high	97.2	Very high	126 Å²	126	60.1 Å²	60.1	59%	0.589	31%	0.314	S	S	*	.	H	α-helix	trans	-61.6	-33.8	173.6	-177.4	169.6	-14.7	0	0	111.9	L84 S85 V101 T105	Q81-L84 PolarHBondContact O-N 3.49Å; Q81-S85 VanDerWaalsContact O-CB 3.31Å; Q81-S85 WeakPolarHBondContact O-CB 3.3Å; Q81-S85 PolarHBondContact O-N 3.2Å; Q81-S85 PolarHBondContact O-OG 3.3Å; Q81-V101 HydrophobicContact CG-CG1 3.91Å; Q81-T105 HydrophobicContact CB-CG2 4.48Å
82	D	96.8	Very high	97.1	Very high	129 Å²	129	64.2 Å²	64.2	69%	0.69	33%	0.327	S	S	*	.	H	α-helix	trans	-64.4	-50.9	-178.5	-60.4	-23.3	0	0	0	111.6	S80 L84 S85 E86	S80-D82 PolarHBondContact O-N 3.39Å; D82-L84 VanDerWaalsContact C-N 3.29Å; D82-L84 PolarHBondContact O-N 2.87Å; D82-S85 PolarHBondContact O-N 2.58Å; D82-S85 VanDerWaalsContact O-N 3.15Å; D82-E86 PolarHBondContact O-N 3.34Å
83	V	97.4	Very high	97	Very high	30 Å²	30	70.3 Å²	70.3	18%	0.182	36%	0.364	C	S	.	.	H	α-helix	trans	-64.5	-36.1	179.7	70.9	0	0	0	0	111.5	A79 S80 E86 H87 L168 W169	A79-V83 HydrophobicContact CB-CG1 3.91Å; S80-V83 WeakPolarHBondContact O-CG1 3.41Å; S80-V83 PolarHBondContact OG-N 2.98Å; V83-E86 PolarHBondContact O-N 3.16Å; V83-H87 WeakPolarHBondContact O-CB 3.42Å; V83-H87 PolarHBondContact O-N 2.94Å; V83-L168 HydrophobicContact CG2-CD1 4.05Å; V83-L168 HydrophobicContact CG2-CD2 4.27Å; V83-L168 HydrophobicContact CG2-CG 3.94Å; V83-W169 HydrophobicContact CG1-CH2 4.12Å; V83-W169 HydrophobicContact CG1-CZ3 4.35Å; V83-W169 HydrophobicContact CG2-CH2 4.44Å; V83-W169 HydrophobicContact CG2-CZ2 4.42Å
84	L	97.7	Very high	96.9	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-70.9	-33.3	176.2	-70.7	168.9	0	0	0	112.4	A79 S80 Q81 D82 E86 H87 Y88 M104 T105 W169	A79-L84 HydrophobicContact CB-CD1 3.9Å; A79-L84 HydrophobicContact CB-CD2 4.15Å; A79-L84 HydrophobicContact CB-CG 3.87Å; S80-L84 WeakPolarHBondContact O-CG 3.23Å; S80-L84 PolarHBondContact O-N 3.15Å; Q81-L84 PolarHBondContact O-N 3.49Å; D82-L84 VanDerWaalsContact C-N 3.29Å; D82-L84 PolarHBondContact O-N 2.87Å; L84-E86 VanDerWaalsContact C-N 3.29Å; L84-H87 PolarHBondContact O-N 3.11Å; L84-Y88 HydrophobicContact CD2-CE2 4.1Å; L84-Y88 WeakPolarHBondContact O-CB 3.38Å; L84-Y88 VanDerWaalsContact O-CD2 3.31Å; L84-Y88 WeakPolarHBondContact O-CD2 3.32Å; L84-Y88 PolarHBondContact O-N 3.37Å; L84-M104 HydrophobicContact CD1-CB 3.62Å; L84-M104 HydrophobicContact CD2-CB 3.72Å; L84-M104 HydrophobicContact CD2-CE 4.18Å; L84-M104 HydrophobicContact CD2-CG 4.4Å; L84-M104 HydrophobicContact CG-CB 4.3Å; L84-T105 HydrophobicContact CD1-CG2 3.4Å; L84-T105 VanDerWaalsContact CD1-CG2 3.4Å; L84-W169 HydrophobicContact CD2-CH2 4.16Å; L84-W169 HydrophobicContact CD2-CZ2 4.24Å
85	S	96.1	Very high	96.7	Very high	22 Å²	22	76.8 Å²	76.8	15%	0.154	40%	0.4	C	S	.	.	H	α-helix	trans	-70.1	-30.6	176.5	-61.2	0	0	0	0	112.2	Q81 D82 C89 R92 Y97	Q81-S85 VanDerWaalsContact O-CB 3.31Å; Q81-S85 WeakPolarHBondContact O-CB 3.3Å; Q81-S85 PolarHBondContact O-N 3.2Å; Q81-S85 PolarHBondContact O-OG 3.3Å; D82-S85 PolarHBondContact O-N 2.58Å; D82-S85 VanDerWaalsContact O-N 3.15Å; S85-C89 PolarHBondContact O-N 3.24Å; S85-R92 PolarHBondContact O-NE 2.65Å; S85-R92 PolarHBondContact O-NH2 2.85Å; S85-Y97 VanDerWaalsContact CA-OH 3.27Å; S85-Y97 WeakPolarHBondContact CA-OH 3.44Å; S85-Y97 WeakPolarHBondContact CB-OH 3.46Å; S85-Y97 PolarHBondContact OG-OH 3.08Å
86	E	97.1	Very high	96.5	Very high	105 Å²	105	78.8 Å²	78.8	49%	0.491	41%	0.409	S	S	.	.	H	α-helix	trans	-74.4	-45.9	171	-167.1	56.8	-151.9	0	0	111.1	D82 V83 L84 Y88 C89 R92 L168	D82-E86 PolarHBondContact O-N 3.34Å; V83-E86 PolarHBondContact O-N 3.16Å; L84-E86 VanDerWaalsContact C-N 3.29Å; E86-Y88 VanDerWaalsContact C-N 3.27Å; E86-Y88 PolarHBondContact O-N 3.04Å; E86-C89 WeakPolarHBondContact O-CB 3.28Å; E86-C89 PolarHBondContact O-N 3.48Å; E86-C89 PolarHBondContact O-SG 2.79Å; E86-C89 VanDerWaalsContact O-SG 3.36Å; E86-R92 IonicContact OE2-NH2 3.71Å; E86-L168 HydrophobicContact CB-CD1 4.06Å; E86-L168 HydrophobicContact CB-CD2 4.13Å; E86-L168 HydrophobicContact CG-CD1 3.76Å; E86-L168 HydrophobicContact CG-CD2 4.16Å
87	H	97.8	Very high	96.4	Very high	24 Å²	24	74.2 Å²	74.2	11%	0.111	39%	0.386	C	S	.	.	H	α-helix	trans	-56.2	-41.3	177	-171.4	98.7	0	0	0	112.4	V83 L84 H154 E165 L168 W169	V83-H87 WeakPolarHBondContact O-CB 3.42Å; V83-H87 PolarHBondContact O-N 2.94Å; L84-H87 PolarHBondContact O-N 3.11Å; H87-H154 AromaticContact CE1-NE2 3.7Å; H87-H154 AromaticContact NE2-CD2 3.99Å; H87-H154 AromaticContact NE2-CE1 3.55Å; H87-H154 AromaticContact NE2-NE2 3.44Å; H87-H154 PolarHBondContact NE2-NE2 3.45Å; H87-E165 VanDerWaalsContact CE1-CD 3.45Å; H87-E165 IonicContact CE1-OE1 3.33Å; H87-E165 PolarHBondContact CE1-OE1 3.31Å; H87-E165 IonicContact CE1-OE2 3.98Å; H87-E165 IonicContact NE2-OE1 3.2Å; H87-E165 PolarHBondContact NE2-OE1 3.26Å; H87-L168 HydrophobicContact CB-CD2 3.81Å; H87-W169 HydrophobicContact CB-CZ2 4.49Å; H87-W169 AromaticContact CE1-NE1 3.58Å; H87-W169 AromaticContact CG-NE1 3.9Å; H87-W169 AromaticContact ND1-CD1 3.83Å; H87-W169 AromaticContact ND1-CE2 3.67Å; H87-W169 AromaticContact ND1-CZ2 3.93Å; H87-W169 AromaticContact ND1-NE1 2.82Å; H87-W169 PolarHBondContact ND1-NE1 3.43Å
88	Y	96.3	Very high	96.3	Very high	15 Å²	15	78 Å²	78	6%	0.059	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	27.4	-177.7	-64.1	-60.2	0	0	0	113.2	L84 E86 D90 L91 Y97 L100 M104	L84-Y88 HydrophobicContact CD2-CE2 4.1Å; L84-Y88 WeakPolarHBondContact O-CB 3.38Å; L84-Y88 VanDerWaalsContact O-CD2 3.31Å; L84-Y88 WeakPolarHBondContact O-CD2 3.32Å; L84-Y88 PolarHBondContact O-N 3.37Å; E86-Y88 VanDerWaalsContact C-N 3.27Å; E86-Y88 PolarHBondContact O-N 3.04Å; Y88-D90 VanDerWaalsContact C-N 3.26Å; Y88-D90 PolarHBondContact O-N 3.21Å; Y88-L91 HydrophobicContact CD1-CD1 3.72Å; Y88-L91 HydrophobicContact CE1-CD1 4.43Å; Y88-L91 HydrophobicContact CG-CD1 4.45Å; Y88-L91 PolarHBondContact O-N 3.48Å; Y88-Y97 WeakPolarHBondContact O-CE2 3.36Å; Y88-L100 HydrophobicContact CD1-CD2 3.73Å; Y88-L100 HydrophobicContact CD2-CD2 3.98Å; Y88-L100 HydrophobicContact CD2-CG 4.2Å; Y88-L100 HydrophobicContact CE1-CD2 3.88Å; Y88-L100 HydrophobicContact CE2-CD1 4.35Å; Y88-L100 HydrophobicContact CE2-CD2 4.12Å; Y88-L100 HydrophobicContact CE2-CG 4.1Å; Y88-L100 HydrophobicContact CG-CD2 3.78Å; Y88-L100 HydrophobicContact CG-CG 4.49Å; Y88-M104 HydrophobicContact CE2-CE 4.32Å; Y88-M104 HydrophobicContact CE2-CG 3.95Å; Y88-M104 WeakPolarHBondContact OH-CE 3.38Å
89	C	95.5	Very high	96.2	Very high	45 Å²	45	75.4 Å²	75.4	30%	0.304	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-55.3	-40.7	-175.8	63.1	0	0	0	0	112.9	S85 E86 L91 R92	S85-C89 PolarHBondContact O-N 3.24Å; E86-C89 WeakPolarHBondContact O-CB 3.28Å; E86-C89 PolarHBondContact O-N 3.48Å; E86-C89 PolarHBondContact O-SG 2.79Å; E86-C89 VanDerWaalsContact O-SG 3.36Å; C89-L91 PolarHBondContact O-N 3.33Å; C89-R92 WeakPolarHBondContact O-CB 3.14Å; C89-R92 VanDerWaalsContact O-CG 3.29Å; C89-R92 WeakPolarHBondContact O-CG 3.38Å; C89-R92 PolarHBondContact O-N 3.5Å
90	D	94.4	Very high	96.1	Very high	142 Å²	142	76.3 Å²	76.3	76%	0.759	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-67	-16.4	178.2	-65.2	-31.8	0	0	0	113.8	Y88	Y88-D90 VanDerWaalsContact C-N 3.26Å; Y88-D90 PolarHBondContact O-N 3.21Å
91	L	95.1	Very high	96	Very high	53 Å²	53	73.7 Å²	73.7	28%	0.277	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-99.2	-1.8	-179	-55.1	-176.5	0	0	0	113.2	Y88 C89 T93 K94 F96 Y97 L100	Y88-L91 HydrophobicContact CD1-CD1 3.72Å; Y88-L91 HydrophobicContact CE1-CD1 4.43Å; Y88-L91 HydrophobicContact CG-CD1 4.45Å; Y88-L91 PolarHBondContact O-N 3.48Å; C89-L91 PolarHBondContact O-N 3.33Å; L91-T93 PolarHBondContact O-N 3.33Å; L91-K94 HydrophobicContact CB-CG 4.31Å; L91-K94 HydrophobicContact CD2-CG 4.28Å; L91-K94 VanDerWaalsContact O-CB 3.27Å; L91-K94 WeakPolarHBondContact O-CB 3.31Å; L91-K94 WeakPolarHBondContact O-CG 3.21Å; L91-K94 PolarHBondContact O-N 3.16Å; L91-F96 HydrophobicContact CD1-CE2 4.35Å; L91-Y97 HydrophobicContact CB-CD2 4.16Å; L91-Y97 WeakPolarHBondContact O-CB 3.35Å; L91-L100 HydrophobicContact CD1-CD2 3.86Å
92	R	95.2	Very high	96	Very high	125 Å²	125	77.1 Å²	77.1	47%	0.472	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-30.5	-174	-76.8	176.6	-174.5	176.4	9.9	114.5	S85 E86 C89 Y97	S85-R92 PolarHBondContact O-NE 2.65Å; S85-R92 PolarHBondContact O-NH2 2.85Å; E86-R92 IonicContact OE2-NH2 3.71Å; C89-R92 WeakPolarHBondContact O-CB 3.14Å; C89-R92 VanDerWaalsContact O-CG 3.29Å; C89-R92 WeakPolarHBondContact O-CG 3.38Å; C89-R92 PolarHBondContact O-N 3.5Å; R92-Y97 HydrophobicContact CB-CE2 4.42Å; R92-Y97 HydrophobicContact CG-CD2 4.32Å; R92-Y97 HydrophobicContact CG-CE1 4.17Å; R92-Y97 HydrophobicContact CG-CE2 3.7Å
93	T	96.4	Very high	96	Very high	129 Å²	129	71.5 Å²	71.5	79%	0.791	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-7.4	179.7	60.8	0	0	0	0	113.6	L91	L91-T93 PolarHBondContact O-N 3.33Å
94	K	96.5	Very high	96.1	Very high	101 Å²	101	70.2 Å²	70.2	44%	0.439	36%	0.357	S	S	.	.	S	Bend	trans	-79	141	-177.9	-57.7	-61.9	-177.1	-177.9	0	110.4	L91 F96 Y97	L91-K94 HydrophobicContact CB-CG 4.31Å; L91-K94 HydrophobicContact CD2-CG 4.28Å; L91-K94 VanDerWaalsContact O-CB 3.27Å; L91-K94 WeakPolarHBondContact O-CB 3.31Å; L91-K94 WeakPolarHBondContact O-CG 3.21Å; L91-K94 PolarHBondContact O-N 3.16Å; K94-F96 HydrophobicContact CB-CD1 4.06Å; K94-F96 HydrophobicContact CB-CD2 4.33Å; K94-F96 HydrophobicContact CB-CE1 3.66Å; K94-F96 HydrophobicContact CB-CE2 3.94Å; K94-F96 HydrophobicContact CB-CG 4.39Å; K94-F96 HydrophobicContact CB-CZ 3.59Å; K94-F96 HydrophobicContact CD-CE1 4.49Å; K94-F96 HydrophobicContact CD-CZ 4.49Å; K94-F96 HydrophobicContact CG-CE1 4.12Å; K94-F96 HydrophobicContact CG-CE2 4.39Å; K94-F96 HydrophobicContact CG-CZ 3.8Å; K94-F96 PolarHBondContact O-N 3.29Å; K94-Y97 VanDerWaalsContact O-CB 3.29Å; K94-Y97 WeakPolarHBondContact O-CB 3.46Å; K94-Y97 PolarHBondContact O-N 3.11Å
95	P	95.4	Very high	96	Very high	129 Å²	129	72.1 Å²	72.1	84%	0.838	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-21.9	-176.1	25.1	-35	0	0	0	113.5
96	F	93.4	Very high	96.1	Very high	106 Å²	106	74.1 Å²	74.1	47%	0.465	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-2.7	179.3	57.5	-102.3	0	0	0	114.3	L91 K94 N98 S99 L100	L91-F96 HydrophobicContact CD1-CE2 4.35Å; K94-F96 HydrophobicContact CB-CD1 4.06Å; K94-F96 HydrophobicContact CB-CD2 4.33Å; K94-F96 HydrophobicContact CB-CE1 3.66Å; K94-F96 HydrophobicContact CB-CE2 3.94Å; K94-F96 HydrophobicContact CB-CG 4.39Å; K94-F96 HydrophobicContact CB-CZ 3.59Å; K94-F96 HydrophobicContact CD-CE1 4.49Å; K94-F96 HydrophobicContact CD-CZ 4.49Å; K94-F96 HydrophobicContact CG-CE1 4.12Å; K94-F96 HydrophobicContact CG-CE2 4.39Å; K94-F96 HydrophobicContact CG-CZ 3.8Å; K94-F96 PolarHBondContact O-N 3.29Å; F96-N98 PolarHBondContact O-N 3.2Å; F96-S99 PolarHBondContact O-N 3.18Å; F96-L100 PolarHBondContact O-N 3.13Å
97	Y	96.2	Very high	96.1	Very high	24 Å²	24	69.4 Å²	69.4	9%	0.094	36%	0.362	C	S	.	.	H	α-helix	trans	-56	-50.1	-173.3	175	-100.7	0	0	0	113.1	S85 Y88 L91 R92 K94 S99 L100 V101	S85-Y97 VanDerWaalsContact CA-OH 3.27Å; S85-Y97 WeakPolarHBondContact CA-OH 3.44Å; S85-Y97 WeakPolarHBondContact CB-OH 3.46Å; S85-Y97 PolarHBondContact OG-OH 3.08Å; Y88-Y97 WeakPolarHBondContact O-CE2 3.36Å; L91-Y97 HydrophobicContact CB-CD2 4.16Å; L91-Y97 WeakPolarHBondContact O-CB 3.35Å; R92-Y97 HydrophobicContact CB-CE2 4.42Å; R92-Y97 HydrophobicContact CG-CD2 4.32Å; R92-Y97 HydrophobicContact CG-CE1 4.17Å; R92-Y97 HydrophobicContact CG-CE2 3.7Å; K94-Y97 VanDerWaalsContact O-CB 3.29Å; K94-Y97 WeakPolarHBondContact O-CB 3.46Å; K94-Y97 PolarHBondContact O-N 3.11Å; Y97-S99 VanDerWaalsContact C-N 3.28Å; Y97-S99 PolarHBondContact O-N 3.23Å; Y97-L100 WeakPolarHBondContact O-CA 3.41Å; Y97-L100 WeakPolarHBondContact O-CB 3.24Å; Y97-L100 PolarHBondContact O-N 3.39Å; Y97-V101 HydrophobicContact CD1-CG2 4.4Å; Y97-V101 HydrophobicContact CD2-CG2 4.33Å; Y97-V101 HydrophobicContact CE1-CG2 3.93Å; Y97-V101 HydrophobicContact CE2-CG2 3.87Å; Y97-V101 PolarHBondContact O-N 2.69Å
98	N	95.8	Very high	96.2	Very high	125 Å²	125	70.2 Å²	70.2	67%	0.668	37%	0.369	S	S	*	.	H	α-helix	trans	-61.1	-39.7	-179.3	-69.7	-24.6	0	0	0	111.8	F96 L100 V101 R102	F96-N98 PolarHBondContact O-N 3.2Å; N98-L100 VanDerWaalsContact C-N 3.35Å; N98-V101 PolarHBondContact O-N 3.15Å; N98-R102 WeakPolarHBondContact O-CB 3.47Å; N98-R102 PolarHBondContact O-N 2.82Å
99	S	95.7	Very high	96.3	Very high	84 Å²	84	69.5 Å²	69.5	59%	0.587	37%	0.367	S	S	*	.	H	α-helix	trans	-66.8	-36.5	175.7	-62.9	0	0	0	0	112.2	F96 Y97 Y103	F96-S99 PolarHBondContact O-N 3.18Å; Y97-S99 VanDerWaalsContact C-N 3.28Å; Y97-S99 PolarHBondContact O-N 3.23Å; S99-Y103 VanDerWaalsContact O-CB 3.25Å; S99-Y103 WeakPolarHBondContact O-CB 3.37Å; S99-Y103 PolarHBondContact O-N 3.13Å
100	L	95.4	Very high	96.4	Very high	26 Å²	26	67.6 Å²	67.6	14%	0.136	35%	0.353	C	S	.	.	H	α-helix	trans	-64.4	-50	175	173.5	62.7	0	0	0	111.1	Y88 L91 F96 Y97 N98 R102 Y103 M104	Y88-L100 HydrophobicContact CD1-CD2 3.73Å; Y88-L100 HydrophobicContact CD2-CD2 3.98Å; Y88-L100 HydrophobicContact CD2-CG 4.2Å; Y88-L100 HydrophobicContact CE1-CD2 3.88Å; Y88-L100 HydrophobicContact CE2-CD1 4.35Å; Y88-L100 HydrophobicContact CE2-CD2 4.12Å; Y88-L100 HydrophobicContact CE2-CG 4.1Å; Y88-L100 HydrophobicContact CG-CD2 3.78Å; Y88-L100 HydrophobicContact CG-CG 4.49Å; L91-L100 HydrophobicContact CD1-CD2 3.86Å; F96-L100 PolarHBondContact O-N 3.13Å; Y97-L100 WeakPolarHBondContact O-CA 3.41Å; Y97-L100 WeakPolarHBondContact O-CB 3.24Å; Y97-L100 PolarHBondContact O-N 3.39Å; N98-L100 VanDerWaalsContact C-N 3.35Å; L100-R102 PolarHBondContact O-N 3.44Å; L100-Y103 HydrophobicContact CD1-CD1 4.36Å; L100-Y103 WeakPolarHBondContact O-CB 3.44Å; L100-Y103 PolarHBondContact O-N 3.36Å; L100-M104 HydrophobicContact CD1-CG 3.98Å; L100-M104 VanDerWaalsContact O-CG 3.28Å; L100-M104 WeakPolarHBondContact O-CG 3.4Å; L100-M104 PolarHBondContact O-N 3.47Å
101	V	96.6	Very high	96.6	Very high	7 Å²	7	60.8 Å²	60.8	4%	0.042	32%	0.317	C	S	.	.	H	α-helix	trans	-62.2	-44.1	178.4	175.3	0	0	0	0	110.9	Q81 Y97 N98 Y103 M104 T105	Q81-V101 HydrophobicContact CG-CG1 3.91Å; Y97-V101 HydrophobicContact CD1-CG2 4.4Å; Y97-V101 HydrophobicContact CD2-CG2 4.33Å; Y97-V101 HydrophobicContact CE1-CG2 3.93Å; Y97-V101 HydrophobicContact CE2-CG2 3.87Å; Y97-V101 PolarHBondContact O-N 2.69Å; N98-V101 PolarHBondContact O-N 3.15Å; V101-Y103 VanDerWaalsContact C-N 3.3Å; V101-Y103 PolarHBondContact O-N 3.37Å; V101-M104 PolarHBondContact O-N 2.83Å; V101-T105 HydrophobicContact CG1-CG2 4.44Å; V101-T105 WeakPolarHBondContact O-CB 3.44Å; V101-T105 WeakPolarHBondContact O-CG2 3.36Å; V101-T105 PolarHBondContact O-N 3.02Å; V101-T105 PolarHBondContact O-OG1 3.5Å
102	R	96.2	Very high	96.8	Very high	199 Å²	199	58.3 Å²	58.3	75%	0.751	30%	0.304	S	S	*	.	H	α-helix	trans	-60.9	-39.4	175.8	-175.5	177.2	179.5	-177.2	1.1	112.4	N98 L100 T105 S106	N98-R102 WeakPolarHBondContact O-CB 3.47Å; N98-R102 PolarHBondContact O-N 2.82Å; L100-R102 PolarHBondContact O-N 3.44Å; R102-T105 WeakPolarHBondContact CA-OG1 3.29Å; R102-T105 PolarHBondContact O-OG1 3.01Å; R102-T105 VanDerWaalsContact O-OG1 3.11Å; R102-S106 WeakPolarHBondContact O-CB 3.19Å; R102-S106 PolarHBondContact O-N 3.39Å
103	Y	96.8	Very high	97	Very high	10 Å²	10	52.3 Å²	52.3	4%	0.039	28%	0.282	C	S	.	.	H	α-helix	trans	-66.1	-47.9	175.7	159.5	-135	0	0	0	111.3	K48 P49 D50 S99 L100 V101 T105 S106 S149 R150	K48-Y103 VanDerWaalsContact CB-OH 3.26Å; K48-Y103 WeakPolarHBondContact CB-OH 3.4Å; K48-Y103 HydrophobicContact CD-CE1 3.76Å; K48-Y103 VanDerWaalsContact CD-OH 3.24Å; K48-Y103 WeakPolarHBondContact CD-OH 3.15Å; P49-Y103 HydrophobicContact CB-CE2 4.49Å; D50-Y103 HydrophobicContact CB-CE2 4.4Å; D50-Y103 PolarHBondContact OD1-OH 3.05Å; D50-Y103 PolarHBondContact OD2-OH 3.45Å; S99-Y103 VanDerWaalsContact O-CB 3.25Å; S99-Y103 WeakPolarHBondContact O-CB 3.37Å; S99-Y103 PolarHBondContact O-N 3.13Å; L100-Y103 HydrophobicContact CD1-CD1 4.36Å; L100-Y103 WeakPolarHBondContact O-CB 3.44Å; L100-Y103 PolarHBondContact O-N 3.36Å; V101-Y103 VanDerWaalsContact C-N 3.3Å; V101-Y103 PolarHBondContact O-N 3.37Å; Y103-T105 VanDerWaalsContact C-N 3.28Å; Y103-T105 PolarHBondContact O-N 3.4Å; Y103-S106 WeakPolarHBondContact O-CB 3.46Å; Y103-S106 PolarHBondContact O-N 3.39Å; Y103-S106 VanDerWaalsContact O-N 3.09Å; Y103-S106 PolarHBondContact O-OG 3.36Å; Y103-S149 WeakPolarHBondContact CE1-O 3.41Å; Y103-R150 VanDerWaalsContact CG-NH1 3.26Å
104	M	97.8	Very high	97.1	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.015	24%	0.244	C	C	.	.	H	α-helix	trans	-68.1	-26.8	-177.6	-67.2	-66.3	-72.2	0	0	113	K48 L84 Y88 L100 V101 L109	K48-M104 HydrophobicContact CB-SD 4.22Å; K48-M104 HydrophobicContact CD-SD 3.88Å; K48-M104 HydrophobicContact CG-CE 4.24Å; K48-M104 HydrophobicContact CG-SD 3.81Å; L84-M104 HydrophobicContact CD1-CB 3.62Å; L84-M104 HydrophobicContact CD2-CB 3.72Å; L84-M104 HydrophobicContact CD2-CE 4.18Å; L84-M104 HydrophobicContact CD2-CG 4.4Å; L84-M104 HydrophobicContact CG-CB 4.3Å; Y88-M104 HydrophobicContact CE2-CE 4.32Å; Y88-M104 HydrophobicContact CE2-CG 3.95Å; Y88-M104 WeakPolarHBondContact OH-CE 3.38Å; L100-M104 HydrophobicContact CD1-CG 3.98Å; L100-M104 VanDerWaalsContact O-CG 3.28Å; L100-M104 WeakPolarHBondContact O-CG 3.4Å; L100-M104 PolarHBondContact O-N 3.47Å; V101-M104 PolarHBondContact O-N 2.83Å; M104-L109 HydrophobicContact CE-CD2 3.26Å; M104-L109 HydrophobicContact SD-CD2 4.22Å
105	T	97.5	Very high	97.1	Very high	40 Å²	40	41.4 Å²	41.4	25%	0.245	22%	0.223	C	C	.	.	H	α-helix	trans	-83.2	-10.6	173.1	48.7	0	0	0	0	114.2	Q81 L84 V101 R102 Y103 G107	Q81-T105 HydrophobicContact CB-CG2 4.48Å; L84-T105 HydrophobicContact CD1-CG2 3.4Å; L84-T105 VanDerWaalsContact CD1-CG2 3.4Å; V101-T105 HydrophobicContact CG1-CG2 4.44Å; V101-T105 WeakPolarHBondContact O-CB 3.44Å; V101-T105 WeakPolarHBondContact O-CG2 3.36Å; V101-T105 PolarHBondContact O-N 3.02Å; V101-T105 PolarHBondContact O-OG1 3.5Å; R102-T105 WeakPolarHBondContact CA-OG1 3.29Å; R102-T105 PolarHBondContact O-OG1 3.01Å; R102-T105 VanDerWaalsContact O-OG1 3.11Å; Y103-T105 VanDerWaalsContact C-N 3.28Å; Y103-T105 PolarHBondContact O-N 3.4Å; T105-G107 PolarHBondContact O-N 3.36Å
106	S	97.4	Very high	97.1	Very high	65 Å²	65	35.4 Å²	35.4	46%	0.455	19%	0.185	S	C	.	.	S	Bend	trans	-72.3	-8.6	-172.3	69.8	0	0	0	0	115.3	R102 Y103	R102-S106 WeakPolarHBondContact O-CB 3.19Å; R102-S106 PolarHBondContact O-N 3.39Å; Y103-S106 WeakPolarHBondContact O-CB 3.46Å; Y103-S106 PolarHBondContact O-N 3.39Å; Y103-S106 VanDerWaalsContact O-N 3.09Å; Y103-S106 PolarHBondContact O-OG 3.36Å
107	G	97.7	Very high	97	Very high	5 Å²	5	34.4 Å²	34.4	5%	0.052	18%	0.181	C	C	.	.	S	Bend	trans	-174.3	-175.3	-179.2	0	0	0	0	0	112.9	T105	T105-G107 PolarHBondContact O-N 3.36Å
108	P	98.4	Very high	96.9	Very high	41 Å²	41	36.2 Å²	36.2	27%	0.266	19%	0.193	S	C	.	.			trans	-71.2	151.9	-179.8	30.4	-35.8	0	0	0	111.8	P49 V52 M76 L77	P49-P108 WeakPolarHBondContact CA-O 3.49Å; V52-P108 HydrophobicContact CB-CG 4.48Å; V52-P108 HydrophobicContact CG1-CG 3.84Å; V52-P108 WeakPolarHBondContact CG2-O 3.19Å; M76-P108 HydrophobicContact CE-CB 3.6Å; M76-P108 HydrophobicContact CE-CG 3.82Å; L77-P108 CarbonylContact O-C 3.54Å; L77-P108 WeakPolarHBondContact O-CA 3.43Å
109	L	98.4	Very high	97	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	155	173.9	-50.3	95.5	0	0	0	109.1	I47 P49 M76 L77 A79 M104 V111	I47-L109 WeakPolarHBondContact O-CA 3.32Å; P49-L109 HydrophobicContact CG-CG 4.26Å; M76-L109 VanDerWaalsContact CA-O 3.27Å; M76-L109 WeakPolarHBondContact CA-O 3.29Å; L77-L109 PolarHBondContact N-O 3.3Å; L77-L109 PolarHBondContact O-N 3.31Å; A79-L109 HydrophobicContact CB-CD1 3.65Å; M104-L109 HydrophobicContact CE-CD2 3.26Å; M104-L109 HydrophobicContact SD-CD2 4.22Å; L109-V111 HydrophobicContact CB-CG2 4.38Å
110	V	98.8	Very high	97.1	Very high	5 Å²	5	26.5 Å²	26.5	3%	0.03	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	113.1	164.9	179.1	0	0	0	0	107.5	A46 I47 V52 V57 L74 K75 M76 M112	A46-V110 CarbonylContact C-O 3.52Å; A46-V110 WeakPolarHBondContact CA-O 3.24Å; I47-V110 HydrophobicContact CB-CB 4.15Å; I47-V110 HydrophobicContact CD1-CB 4.25Å; I47-V110 HydrophobicContact CG1-CB 4.37Å; I47-V110 PolarHBondContact N-O 3.39Å; I47-V110 PolarHBondContact O-N 2.65Å; I47-V110 VanDerWaalsContact O-N 3.13Å; V52-V110 HydrophobicContact CG2-CG2 4.05Å; V57-V110 HydrophobicContact CG1-CG1 4.41Å; V57-V110 HydrophobicContact CG1-CG2 4.1Å; V57-V110 HydrophobicContact CG2-CG2 3.85Å; L74-V110 HydrophobicContact CD1-CG1 4.45Å; L74-V110 HydrophobicContact CG-CG1 4.35Å; K75-V110 WeakPolarHBondContact O-CA 3.38Å; M76-V110 HydrophobicContact CB-CG2 4.22Å; M76-V110 HydrophobicContact CG-CG2 4.08Å; M76-V110 HydrophobicContact SD-CG2 4.44Å; V110-M112 HydrophobicContact CG1-CG 3.97Å; V110-M112 HydrophobicContact CG1-SD 4.17Å
111	V	98.8	Very high	97.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.6	179.3	-167.9	0	0	0	0	108.1	L44 A46 L74 K75 L77 L109 W169 F170	L44-V111 HydrophobicContact CD1-CG1 3.76Å; L44-V111 HydrophobicContact CD2-CG1 4.08Å; L44-V111 HydrophobicContact CG-CG1 4.01Å; A46-V111 HydrophobicContact CB-CG1 4.39Å; A46-V111 HydrophobicContact CB-CG2 4.2Å; L74-V111 WeakPolarHBondContact CA-O 3.14Å; K75-V111 HydrophobicContact CG-CB 4.49Å; K75-V111 PolarHBondContact N-O 2.94Å; K75-V111 PolarHBondContact O-N 2.8Å; L77-V111 HydrophobicContact CD2-CG2 3.83Å; L109-V111 HydrophobicContact CB-CG2 4.38Å; V111-W169 HydrophobicContact CB-CE3 4.44Å; V111-W169 HydrophobicContact CG1-CB 4.19Å; V111-W169 HydrophobicContact CG1-CD2 4.08Å; V111-W169 HydrophobicContact CG1-CE3 4.3Å; V111-W169 HydrophobicContact CG1-CG 4.02Å; V111-W169 HydrophobicContact CG2-CD2 4.29Å; V111-W169 HydrophobicContact CG2-CE3 3.82Å; V111-W169 HydrophobicContact CG2-CH2 4.43Å; V111-W169 HydrophobicContact CG2-CZ3 3.89Å; V111-F170 HydrophobicContact CB-CE2 4.4Å; V111-F170 HydrophobicContact CB-CZ 4.47Å; V111-F170 HydrophobicContact CG1-CE2 3.81Å; V111-F170 HydrophobicContact CG1-CZ 4.33Å
112	M	98.8	Very high	97.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.4	-172.3	-60.3	171.5	-66.1	0	0	110.6	I45 I47 I60 I61 L71 G73 L74 V110 W114	I45-M112 HydrophobicContact CB-CE 4.14Å; I45-M112 HydrophobicContact CG2-CE 3.78Å; I45-M112 PolarHBondContact N-O 3.37Å; I45-M112 PolarHBondContact O-N 2.8Å; I47-M112 HydrophobicContact CD1-CE 3.85Å; I47-M112 HydrophobicContact CG1-CE 3.78Å; I60-M112 HydrophobicContact CG2-CE 4.43Å; I61-M112 HydrophobicContact CD1-SD 4.05Å; I61-M112 HydrophobicContact CG1-CE 4.49Å; I61-M112 HydrophobicContact CG1-SD 3.54Å; I61-M112 VanDerWaalsContact CG1-SD 3.54Å; L71-M112 HydrophobicContact CD1-CB 3.99Å; L71-M112 HydrophobicContact CD1-CG 4.28Å; G73-M112 CarbonylContact O-C 3.59Å; G73-M112 VanDerWaalsContact O-CA 3.23Å; G73-M112 WeakPolarHBondContact O-CA 3.35Å; L74-M112 HydrophobicContact CB-CG 4.46Å; L74-M112 HydrophobicContact CD1-CG 4.07Å; L74-M112 HydrophobicContact CD1-SD 4.22Å; L74-M112 HydrophobicContact CG-CG 4.16Å; V110-M112 HydrophobicContact CG1-CG 3.97Å; V110-M112 HydrophobicContact CG1-SD 4.17Å; M112-W114 HydrophobicContact SD-CZ2 4.22Å
113	V	98.8	Very high	97.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122	169.4	-173.9	0	0	0	0	108.3	R42 T43 V72 G73 I166 F170 L175	R42-V113 HydrophobicContact CB-CG1 4.07Å; R42-V113 HydrophobicContact CG-CG1 4.37Å; T43-V113 WeakPolarHBondContact O-CA 3.24Å; V72-V113 HydrophobicContact CG2-CB 3.87Å; V72-V113 HydrophobicContact CG2-CG1 3.57Å; V72-V113 WeakPolarHBondContact CG2-O 3.49Å; V72-V113 PolarHBondContact N-O 3.36Å; G73-V113 PolarHBondContact N-O 3.39Å; G73-V113 PolarHBondContact O-N 2.89Å; V113-I166 HydrophobicContact CG1-CD1 3.77Å; V113-I166 HydrophobicContact CG1-CG1 4.09Å; V113-I166 HydrophobicContact CG2-CG1 4.07Å; V113-I166 HydrophobicContact CG2-CG2 4.27Å; V113-F170 HydrophobicContact CG2-CD2 3.53Å; V113-F170 HydrophobicContact CG2-CE2 3.46Å; V113-F170 VanDerWaalsContact CG2-CE2 3.46Å; V113-F170 HydrophobicContact CG2-CG 4.12Å; V113-F170 HydrophobicContact CG2-CZ 3.99Å; V113-L175 HydrophobicContact CB-CD2 4.09Å; V113-L175 HydrophobicContact CG1-CD2 4.43Å; V113-L175 HydrophobicContact CG2-CD2 3.81Å
114	W	98.5	Very high	97.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	136.6	177.6	-67.8	90.8	0	0	0	109.7	R42 T43 I61 F64 E65 F69 K70 L71 M112 V119	R42-W114 CarbonylContact C-O 3.57Å; R42-W114 VanDerWaalsContact CA-O 3.23Å; R42-W114 WeakPolarHBondContact CA-O 3.46Å; T43-W114 HydrophobicContact CG2-CB 4.14Å; T43-W114 PolarHBondContact N-O 3.08Å; T43-W114 PolarHBondContact O-N 2.68Å; T43-W114 VanDerWaalsContact O-N 3.09Å; I61-W114 HydrophobicContact CG1-CZ2 4.5Å; I61-W114 HydrophobicContact CG2-CH2 4.13Å; I61-W114 HydrophobicContact CG2-CZ2 4.24Å; F64-W114 HydrophobicContact CB-CD2 3.72Å; F64-W114 HydrophobicContact CB-CE3 3.79Å; F64-W114 HydrophobicContact CB-CH2 3.57Å; F64-W114 HydrophobicContact CB-CZ2 3.48Å; F64-W114 VanDerWaalsContact CB-CZ2 3.48Å; F64-W114 HydrophobicContact CB-CZ3 3.71Å; F64-W114 HydrophobicContact CD1-CB 4.47Å; F64-W114 AromaticContact CD1-CD1 3.87Å; F64-W114 AromaticContact CD1-CD2 3.92Å; F64-W114 HydrophobicContact CD1-CD2 3.92Å; F64-W114 AromaticContact CD1-CG 3.83Å; F64-W114 HydrophobicContact CD1-CG 3.83Å; F64-W114 AromaticContact CD1-NE1 3.95Å; F64-W114 HydrophobicContact CG-CD2 4.12Å; F64-W114 AromaticContact CG-CE2 3.86Å; F64-W114 HydrophobicContact CG-CG 4.47Å; F64-W114 HydrophobicContact CG-CZ2 4.18Å; E65-W114 HydrophobicContact CG-CH2 3.7Å; E65-W114 HydrophobicContact CG-CZ3 4.08Å; F69-W114 HydrophobicContact CB-CB 4.41Å; F69-W114 HydrophobicContact CB-CD2 4.39Å; F69-W114 HydrophobicContact CB-CE3 3.63Å; F69-W114 HydrophobicContact CB-CZ3 4.32Å; F69-W114 WeakPolarHBondContact O-CZ3 3.28Å; K70-W114 CarbonylContact O-C 3.56Å; K70-W114 WeakPolarHBondContact O-CA 3.46Å; L71-W114 HydrophobicContact CB-CE3 4.03Å; L71-W114 HydrophobicContact CB-CH2 3.84Å; L71-W114 HydrophobicContact CB-CZ2 4.37Å; L71-W114 HydrophobicContact CB-CZ3 3.67Å; L71-W114 HydrophobicContact CD1-CD2 4.07Å; L71-W114 HydrophobicContact CD1-CE3 4.4Å; L71-W114 HydrophobicContact CD1-CH2 4.12Å; L71-W114 HydrophobicContact CD1-CZ2 3.77Å; L71-W114 HydrophobicContact CD1-CZ3 4.44Å; L71-W114 HydrophobicContact CD2-CH2 4.37Å; L71-W114 HydrophobicContact CD2-CZ2 4.5Å; L71-W114 HydrophobicContact CG-CH2 4.33Å; L71-W114 HydrophobicContact CG-CZ2 4.44Å; M112-W114 HydrophobicContact SD-CZ2 4.22Å; W114-V119 HydrophobicContact CB-CG2 4.01Å
115	E	97.6	Very high	97.5	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	138.2	178.5	-178.3	173.1	112.9	0	0	110.4	R40 E41 R42 K70 V72	R40-E115 VanDerWaalsContact CD-OE1 3.29Å; R40-E115 WeakPolarHBondContact CD-OE1 3.03Å; R40-E115 IonicContact CZ-OE1 3.94Å; R40-E115 IonicContact NE-OE1 3.95Å; R40-E115 IonicContact NH1-OE1 2.75Å; R40-E115 PolarHBondContact NH1-OE1 3.32Å; E41-E115 CarbonylContact O-C 3.58Å; E41-E115 VanDerWaalsContact O-CA 3.29Å; E41-E115 WeakPolarHBondContact O-CA 3.29Å; R42-E115 HydrophobicContact CG-CB 4.01Å; R42-E115 HydrophobicContact CG-CG 4.13Å; R42-E115 IonicContact CZ-OE2 3.17Å; R42-E115 IonicContact NE-OE2 2.74Å; R42-E115 PolarHBondContact NE-OE2 2.9Å; R42-E115 IonicContact NH2-OE2 2.75Å; R42-E115 PolarHBondContact NH2-OE2 3.12Å; K70-E115 HydrophobicContact CB-CB 4.34Å; K70-E115 WeakPolarHBondContact CE-OE1 3.27Å; K70-E115 PolarHBondContact N-O 2.92Å; K70-E115 IonicContact NZ-OE1 2.78Å; K70-E115 PolarHBondContact NZ-OE1 3.39Å; K70-E115 PolarHBondContact O-N 3.02Å; V72-E115 HydrophobicContact CG1-CB 3.79Å; V72-E115 HydrophobicContact CG2-CB 4.18Å
116	G	94.3	Very high	97.5	Very high	3 Å²	3	31.1 Å²	31.1	3%	0.031	17%	0.166	C	C	.	.	S	Bend	trans	161.4	174.6	171.9	0	0	0	0	0	113.2	E41 N118 V119	E41-G116 PolarHBondContact O-N 2.92Å; G116-N118 PolarHBondContact O-N 3.38Å; G116-V119 WeakPolarHBondContact O-CB 3.26Å; G116-V119 WeakPolarHBondContact O-CG1 3.33Å; G116-V119 PolarHBondContact O-N 2.84Å
117	H	92	Very high	97.5	Very high	85 Å²	85	28 Å²	28	39%	0.394	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	126	-178.4	-178.9	53.3	0	0	0	112.7	P37 D38 V39 V119	P37-H117 HydrophobicContact CB-CB 4.37Å; P37-H117 WeakPolarHBondContact CB-CE1 3.29Å; P37-H117 WeakPolarHBondContact CB-ND1 3.22Å; D38-H117 WeakPolarHBondContact O-CA 3.5Å; V39-H117 HydrophobicContact CG1-CB 4.48Å; H117-V119 PolarHBondContact O-N 3.46Å; H117-V119 VanDerWaalsContact O-N 3.08Å
118	N	94.8	Very high	97.5	Very high	62 Å²	62	28.3 Å²	28.3	33%	0.332	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	33.8	-178.2	-61.7	-20.7	0	0	0	112.4	E41 G116 V120 Q121 T122	E41-N118 VanDerWaalsContact OE1-CA 3.29Å; E41-N118 WeakPolarHBondContact OE1-CA 3.24Å; G116-N118 PolarHBondContact O-N 3.38Å; N118-V120 VanDerWaalsContact C-N 3.26Å; N118-V120 PolarHBondContact O-N 2.72Å; N118-Q121 PolarHBondContact O-N 2.85Å; N118-T122 VanDerWaalsContact O-CB 3.22Å; N118-T122 WeakPolarHBondContact O-CB 3.36Å; N118-T122 PolarHBondContact O-N 3.1Å; N118-T122 PolarHBondContact O-OG1 3.39Å
119	V	97.5	Very high	97.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.2	-35.3	-175.4	68.7	0	0	0	0	111.3	E41 T43 F69 W114 G116 H117 S123	E41-V119 HydrophobicContact CB-CG1 4.22Å; E41-V119 HydrophobicContact CG-CG1 4Å; E41-V119 VanDerWaalsContact O-CG1 3.24Å; E41-V119 WeakPolarHBondContact O-CG1 3.25Å; E41-V119 PolarHBondContact OE1-N 3.46Å; T43-V119 HydrophobicContact CG2-CB 4.42Å; T43-V119 HydrophobicContact CG2-CG1 4.08Å; T43-V119 HydrophobicContact CG2-CG2 3.66Å; F69-V119 HydrophobicContact CB-CG2 4.49Å; F69-V119 HydrophobicContact CD1-CB 4.06Å; F69-V119 HydrophobicContact CD1-CG2 3.64Å; F69-V119 HydrophobicContact CD2-CG2 3.88Å; F69-V119 HydrophobicContact CE1-CB 3.81Å; F69-V119 HydrophobicContact CE1-CG2 3.71Å; F69-V119 HydrophobicContact CE2-CG2 3.91Å; F69-V119 HydrophobicContact CG-CG2 3.75Å; F69-V119 HydrophobicContact CZ-CB 4.16Å; F69-V119 HydrophobicContact CZ-CG2 3.85Å; W114-V119 HydrophobicContact CB-CG2 4.01Å; G116-V119 WeakPolarHBondContact O-CB 3.26Å; G116-V119 WeakPolarHBondContact O-CG1 3.33Å; G116-V119 PolarHBondContact O-N 2.84Å; H117-V119 PolarHBondContact O-N 3.46Å; H117-V119 VanDerWaalsContact O-N 3.08Å; V119-S123 WeakPolarHBondContact O-CA 3.47Å; V119-S123 WeakPolarHBondContact O-CB 3.31Å; V119-S123 PolarHBondContact O-N 2.84Å; V119-S123 PolarHBondContact O-OG 3.46Å
120	V	98.2	Very high	97.1	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.03	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-57.5	178.7	175.6	0	0	0	0	110.1	E41 N118 T122 S123 R124 V159 A162	E41-V120 HydrophobicContact CG-CG2 4.09Å; E41-V120 WeakPolarHBondContact OE1-CB 3.24Å; E41-V120 WeakPolarHBondContact OE1-CG2 3.48Å; E41-V120 PolarHBondContact OE1-N 3.26Å; N118-V120 VanDerWaalsContact C-N 3.26Å; N118-V120 PolarHBondContact O-N 2.72Å; V120-T122 PolarHBondContact O-N 3.48Å; V120-S123 PolarHBondContact O-N 3.22Å; V120-R124 WeakPolarHBondContact O-CG 3.41Å; V120-R124 PolarHBondContact O-N 3.41Å; V120-R124 VanDerWaalsContact O-N 3.1Å; V120-V159 HydrophobicContact CG2-CG2 4.23Å; V120-A162 HydrophobicContact CG2-CB 4.03Å
121	Q	97.5	Very high	96.7	Very high	135 Å²	135	36 Å²	36	63%	0.631	19%	0.189	S	C	*	.	H	α-helix	trans	-62.5	-45.3	-178.7	-175.8	-176.9	6.4	0	0	111.4	N118 S123 R124 T125	N118-Q121 PolarHBondContact O-N 2.85Å; Q121-S123 VanDerWaalsContact C-N 3.35Å; Q121-S123 PolarHBondContact O-N 2.82Å; Q121-R124 WeakPolarHBondContact O-CB 3.48Å; Q121-R124 PolarHBondContact O-N 3.32Å; Q121-T125 PolarHBondContact O-N 2.8Å; Q121-T125 VanDerWaalsContact O-N 3.14Å; Q121-T125 PolarHBondContact O-OG1 2.8Å
122	T	97.6	Very high	96	Very high	25 Å²	25	36.4 Å²	36.4	15%	0.153	19%	0.192	C	C	.	.	H	α-helix	trans	-66.4	-38.9	-178.1	-56.6	0	0	0	0	111.4	R67 F69 N118 V120 R124 T125 M126	R67-T122 HydrophobicContact CG-CG2 4.41Å; F69-T122 HydrophobicContact CE2-CG2 4.01Å; F69-T122 HydrophobicContact CZ-CG2 3.59Å; N118-T122 VanDerWaalsContact O-CB 3.22Å; N118-T122 WeakPolarHBondContact O-CB 3.36Å; N118-T122 PolarHBondContact O-N 3.1Å; N118-T122 PolarHBondContact O-OG1 3.39Å; V120-T122 PolarHBondContact O-N 3.48Å; T122-R124 VanDerWaalsContact C-N 3.32Å; T122-R124 PolarHBondContact O-N 2.5Å; T122-T125 WeakPolarHBondContact O-CB 3.4Å; T122-T125 PolarHBondContact O-N 3.47Å; T122-M126 HydrophobicContact CG2-CG 4.45Å; T122-M126 HydrophobicContact CG2-SD 4.08Å; T122-M126 WeakPolarHBondContact O-CG 3.49Å; T122-M126 PolarHBondContact O-N 2.62Å
123	S	98.2	Very high	95.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-39	175.7	-62.9	0	0	0	0	111.8	F64 V119 V120 Q121 T125 M126 V127	F64-S123 VanDerWaalsContact CE1-OG 3.28Å; F64-S123 WeakPolarHBondContact CE1-OG 3.33Å; V119-S123 WeakPolarHBondContact O-CA 3.47Å; V119-S123 WeakPolarHBondContact O-CB 3.31Å; V119-S123 PolarHBondContact O-N 2.84Å; V119-S123 PolarHBondContact O-OG 3.46Å; V120-S123 PolarHBondContact O-N 3.22Å; Q121-S123 VanDerWaalsContact C-N 3.35Å; Q121-S123 PolarHBondContact O-N 2.82Å; S123-T125 VanDerWaalsContact C-N 3.34Å; S123-T125 PolarHBondContact O-N 2.9Å; S123-M126 PolarHBondContact O-N 3.09Å; S123-V127 VanDerWaalsContact O-CB 3.29Å; S123-V127 WeakPolarHBondContact O-CB 3.44Å; S123-V127 VanDerWaalsContact O-CG2 3.28Å; S123-V127 WeakPolarHBondContact O-CG2 3.36Å; S123-V127 PolarHBondContact O-N 3.26Å
124	R	98	Very high	95.2	Very high	87 Å²	87	46 Å²	46	33%	0.328	25%	0.252	S	S	.	.	H	α-helix	trans	-60	-44.1	173.8	-71.8	-67.2	-59.6	-159.6	-5.7	111.8	V120 Q121 T122 V127 G128 A155 S156	V120-R124 WeakPolarHBondContact O-CG 3.41Å; V120-R124 PolarHBondContact O-N 3.41Å; V120-R124 VanDerWaalsContact O-N 3.1Å; Q121-R124 WeakPolarHBondContact O-CB 3.48Å; Q121-R124 PolarHBondContact O-N 3.32Å; T122-R124 VanDerWaalsContact C-N 3.32Å; T122-R124 PolarHBondContact O-N 2.5Å; R124-V127 PolarHBondContact O-N 3.34Å; R124-G128 PolarHBondContact O-N 2.95Å; R124-A155 PolarHBondContact NH1-O 2.81Å; R124-A155 VanDerWaalsContact NH1-O 3.15Å; R124-S156 VanDerWaalsContact CD-O 3.24Å; R124-S156 WeakPolarHBondContact CD-O 3.43Å; R124-S156 WeakPolarHBondContact CG-O 3.32Å
125	T	97.9	Very high	95.1	Very high	101 Å²	101	46.6 Å²	46.6	62%	0.62	26%	0.257	S	S	*	.	H	α-helix	trans	-62.9	-46.5	175.5	-57.9	0	0	0	0	111.7	Q121 T122 S123 V127 G128	Q121-T125 PolarHBondContact O-N 2.8Å; Q121-T125 VanDerWaalsContact O-N 3.14Å; Q121-T125 PolarHBondContact O-OG1 2.8Å; T122-T125 WeakPolarHBondContact O-CB 3.4Å; T122-T125 PolarHBondContact O-N 3.47Å; S123-T125 VanDerWaalsContact C-N 3.34Å; S123-T125 PolarHBondContact O-N 2.9Å; T125-V127 VanDerWaalsContact C-N 3.34Å; T125-V127 PolarHBondContact O-N 2.81Å; T125-G128 PolarHBondContact O-N 3.15Å
126	M	98.3	Very high	95	Very high	33 Å²	33	52.9 Å²	52.9	16%	0.163	29%	0.286	C	S	.	.	H	α-helix	trans	-64.7	-36.7	178.9	-72.5	172.3	60.7	0	0	113	R63 F64 R67 F69 T122 S123 T139 V140	R63-M126 HydrophobicContact CB-CE 4.1Å; R63-M126 VanDerWaalsContact O-CE 3.23Å; R63-M126 WeakPolarHBondContact O-CE 3.35Å; F64-M126 HydrophobicContact CD2-CE 4.23Å; F64-M126 HydrophobicContact CE2-CE 4.48Å; F64-M126 HydrophobicContact CG-CE 4.31Å; R67-M126 HydrophobicContact CB-CE 3.92Å; R67-M126 HydrophobicContact CB-SD 3.96Å; R67-M126 HydrophobicContact CG-CE 4.3Å; R67-M126 HydrophobicContact CG-SD 3.64Å; F69-M126 HydrophobicContact CE2-SD 3.85Å; T122-M126 HydrophobicContact CG2-CG 4.45Å; T122-M126 HydrophobicContact CG2-SD 4.08Å; T122-M126 WeakPolarHBondContact O-CG 3.49Å; T122-M126 PolarHBondContact O-N 2.62Å; S123-M126 PolarHBondContact O-N 3.09Å; M126-T139 CarbonylContact O-C 3.54Å; M126-T139 VanDerWaalsContact O-CA 3.24Å; M126-T139 WeakPolarHBondContact O-CA 3.28Å; M126-T139 WeakPolarHBondContact O-CB 3.36Å; M126-V140 PolarHBondContact O-N 2.79Å
127	V	97.9	Very high	95.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-70.3	-37.6	178.1	161.6	0	0	0	0	111.5	F64 S123 R124 T125 R141 V153 A155	F64-V127 HydrophobicContact CZ-CG2 4.27Å; S123-V127 VanDerWaalsContact O-CB 3.29Å; S123-V127 WeakPolarHBondContact O-CB 3.44Å; S123-V127 VanDerWaalsContact O-CG2 3.28Å; S123-V127 WeakPolarHBondContact O-CG2 3.36Å; S123-V127 PolarHBondContact O-N 3.26Å; R124-V127 PolarHBondContact O-N 3.34Å; T125-V127 VanDerWaalsContact C-N 3.34Å; T125-V127 PolarHBondContact O-N 2.81Å; V127-R141 HydrophobicContact CG1-CG 4.24Å; V127-R141 WeakPolarHBondContact O-CB 3.41Å; V127-R141 WeakPolarHBondContact O-CG 3.31Å; V127-R141 PolarHBondContact O-N 2.97Å; V127-V153 HydrophobicContact CB-CG1 4.23Å; V127-V153 HydrophobicContact CG1-CG1 3.49Å; V127-V153 VanDerWaalsContact CG1-CG1 3.49Å; V127-V153 HydrophobicContact CG2-CG1 3.84Å; V127-V153 HydrophobicContact CG2-CG2 4.32Å; V127-A155 HydrophobicContact CG2-CB 4.02Å
128	G	97.3	Very high	95.3	Very high	11 Å²	11	55.8 Å²	55.8	11%	0.113	33%	0.33	C	S	.	.			trans	83.8	174.3	-179.4	0	0	0	0	0	113.9	R124 T125 R141	R124-G128 PolarHBondContact O-N 2.95Å; T125-G128 PolarHBondContact O-N 3.15Å; G128-R141 PolarHBondContact O-NH1 2.92Å
129	N	95.8	Very high	95.5	Very high	82 Å²	82	53.7 Å²	53.7	44%	0.439	32%	0.319	S	S	.	.			trans	-56.2	147	-174.7	-74.9	-41	0	0	0	113.1	N131 E134 A135 R141	N129-N131 VanDerWaalsContact C-N 3.25Å; N129-N131 PolarHBondContact O-N 2.89Å; N129-E134 HydrophobicContact CB-CB 4.04Å; N129-E134 PolarHBondContact ND2-O 3.2Å; N129-A135 HydrophobicContact CB-CB 4.45Å; N129-R141 WeakPolarHBondContact O-CD 3.49Å
130	T	92.1	Very high	95.5	Very high	71 Å²	71	53.7 Å²	53.7	44%	0.436	32%	0.319	S	S	.	.	S	Bend	trans	-59.2	-38.9	-179	-60.7	0	0	0	0	112	P132 R141 V148 N151	T130-P132 WeakPolarHBondContact O-CD 3.39Å; T130-R141 VanDerWaalsContact CA-NH1 3.33Å; T130-V148 HydrophobicContact CG2-CG2 4.38Å; T130-N151 PolarHBondContact O-ND2 3.27Å; T130-N151 VanDerWaalsContact O-ND2 3.12Å
131	N	90.7	Very high	95.5	Very high	54 Å²	54	53.7 Å²	53.7	29%	0.289	32%	0.319	S	S	.	.	S	Bend	trans	-81	113.3	170.4	-175.8	4.5	0	0	0	109.4	N129 A133 E134 A135	N129-N131 VanDerWaalsContact C-N 3.25Å; N129-N131 PolarHBondContact O-N 2.89Å; N131-A133 PolarHBondContact O-N 2.59Å; N131-A133 PolarHBondContact OD1-N 2.88Å; N131-E134 HydrophobicContact CB-CB 4.44Å; N131-E134 HydrophobicContact CB-CG 4.38Å; N131-E134 PolarHBondContact ND2-OE1 3.33Å; N131-E134 PolarHBondContact O-N 3.23Å; N131-A135 PolarHBondContact O-N 3.44Å
132	P	83.8	Confident	95.5	Very high	10 Å²	10	48.7 Å²	48.7	7%	0.065	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-60	-27.5	-179.4	-25.5	36.5	0	0	0	113.8	T130 E134 A135 S145 N151	T130-P132 WeakPolarHBondContact O-CD 3.39Å; P132-E134 PolarHBondContact O-N 3.11Å; P132-A135 WeakPolarHBondContact O-CB 3.43Å; P132-A135 PolarHBondContact O-N 3.02Å; P132-A135 VanDerWaalsContact O-N 3.08Å; P132-S145 WeakPolarHBondContact CB-O 3.34Å; P132-S145 VanDerWaalsContact CG-CB 3.49Å; P132-N151 HydrophobicContact CG-CB 4.15Å
133	A	88.3	Confident	95.5	Very high	90 Å²	90	50.7 Å²	50.7	74%	0.744	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-64.4	-20.5	175.8	0	0	0	0	0	113.3	N131	N131-A133 PolarHBondContact O-N 2.59Å; N131-A133 PolarHBondContact OD1-N 2.88Å
134	E	94.1	Very high	95.4	Very high	110 Å²	110	52.5 Å²	52.5	51%	0.514	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-105.1	-4.6	176.7	-65.5	161.9	-147.5	0	0	111.9	N129 N131 P132 Q136	N129-E134 HydrophobicContact CB-CB 4.04Å; N129-E134 PolarHBondContact ND2-O 3.2Å; N131-E134 HydrophobicContact CB-CB 4.44Å; N131-E134 HydrophobicContact CB-CG 4.38Å; N131-E134 PolarHBondContact ND2-OE1 3.33Å; N131-E134 PolarHBondContact O-N 3.23Å; P132-E134 PolarHBondContact O-N 3.11Å; E134-Q136 PolarHBondContact O-NE2 2.87Å
135	A	95.3	Very high	95.1	Very high	13 Å²	13	48.8 Å²	48.8	11%	0.107	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-78.7	128.4	-178.2	0	0	0	0	0	109.8	N129 N131 P132 R141	N129-A135 HydrophobicContact CB-CB 4.45Å; N131-A135 PolarHBondContact O-N 3.44Å; P132-A135 WeakPolarHBondContact O-CB 3.43Å; P132-A135 PolarHBondContact O-N 3.02Å; P132-A135 VanDerWaalsContact O-N 3.08Å; A135-R141 HydrophobicContact CB-CB 3.87Å
136	Q	96.6	Very high	94.5	Very high	134 Å²	134	51.8 Å²	51.8	63%	0.626	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-71	148.1	-177.2	-59.8	-58.5	-65.9	0	0	111.2	E134 T139	E134-Q136 PolarHBondContact O-NE2 2.87Å; Q136-T139 HydrophobicContact CB-CG2 4.26Å; Q136-T139 WeakPolarHBondContact O-CB 3.5Å; Q136-T139 WeakPolarHBondContact O-CG2 3.43Å; Q136-T139 PolarHBondContact O-N 3.42Å; Q136-T139 VanDerWaalsContact O-N 3.09Å; Q136-T139 PolarHBondContact O-OG1 3.35Å
137	A	96.4	Very high	94	Very high	95 Å²	95	55.6 Å²	55.6	79%	0.785	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	140	170.2	0	0	0	0	0	110.3	T139	A137-T139 VanDerWaalsContact C-N 3.32Å
138	G	96.2	Very high	93.5	Very high	54 Å²	54	59 Å²	59	56%	0.557	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.5	-10.7	-172.7	0	0	0	0	0	114.4	R63 D143	R63-G138 PolarHBondContact NH1-O 3.01Å; G138-D143 WeakPolarHBondContact CA-OD2 3.43Å; G138-D143 PolarHBondContact N-OD1 2.86Å; G138-D143 PolarHBondContact N-OD2 3.41Å
139	T	98.3	Very high	93	Very high	17 Å²	17	61.1 Å²	61.1	10%	0.104	37%	0.37	C	S	.	.	S	Bend	trans	-85.6	155.8	168.6	69.1	0	0	0	0	111.1	R63 M126 Q136 A137 R141 G142 D143	R63-T139 VanDerWaalsContact NH1-C 3.28Å; R63-T139 PolarHBondContact NH1-O 3.47Å; M126-T139 CarbonylContact O-C 3.54Å; M126-T139 VanDerWaalsContact O-CA 3.24Å; M126-T139 WeakPolarHBondContact O-CA 3.28Å; M126-T139 WeakPolarHBondContact O-CB 3.36Å; Q136-T139 HydrophobicContact CB-CG2 4.26Å; Q136-T139 WeakPolarHBondContact O-CB 3.5Å; Q136-T139 WeakPolarHBondContact O-CG2 3.43Å; Q136-T139 PolarHBondContact O-N 3.42Å; Q136-T139 VanDerWaalsContact O-N 3.09Å; Q136-T139 PolarHBondContact O-OG1 3.35Å; A137-T139 VanDerWaalsContact C-N 3.32Å; T139-R141 VanDerWaalsContact C-N 3.27Å; T139-R141 PolarHBondContact O-N 3.43Å; T139-G142 PolarHBondContact O-N 3.27Å; T139-G142 PolarHBondContact OG1-N 3.19Å; T139-D143 WeakPolarHBondContact O-CB 3.32Å; T139-D143 VanDerWaalsContact O-CG 3.27Å; T139-D143 PolarHBondContact O-N 2.73Å
140	V	97.9	Very high	92.8	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-56.5	-43.8	179.4	178	0	0	0	0	111.1	I60 M126 F144 V152 V153	I60-V140 HydrophobicContact CD1-CG1 4.21Å; I60-V140 HydrophobicContact CG1-CG1 4Å; M126-V140 PolarHBondContact O-N 2.79Å; V140-F144 HydrophobicContact CG1-CD2 4.08Å; V140-F144 WeakPolarHBondContact O-CB 3.47Å; V140-F144 VanDerWaalsContact O-CD2 3.29Å; V140-F144 WeakPolarHBondContact O-CD2 3.31Å; V140-F144 PolarHBondContact O-N 3.04Å; V140-F144 VanDerWaalsContact O-N 3.08Å; V140-V152 HydrophobicContact CG1-CG1 4.25Å; V140-V153 HydrophobicContact CB-CG1 4.19Å; V140-V153 HydrophobicContact CG1-CB 4.29Å; V140-V153 HydrophobicContact CG1-CG1 3.69Å
141	R	97.9	Very high	92.9	Very high	6 Å²	6	59.4 Å²	59.4	2%	0.023	35%	0.35	C	S	.	.	H	α-helix	trans	-74.1	-38.8	179.9	-71.1	174.7	-177.3	155	-3	112.5	V127 G128 N129 T130 A135 T139 D143 S145 N151 V153	V127-R141 HydrophobicContact CG1-CG 4.24Å; V127-R141 WeakPolarHBondContact O-CB 3.41Å; V127-R141 WeakPolarHBondContact O-CG 3.31Å; V127-R141 PolarHBondContact O-N 2.97Å; G128-R141 PolarHBondContact O-NH1 2.92Å; N129-R141 WeakPolarHBondContact O-CD 3.49Å; T130-R141 VanDerWaalsContact CA-NH1 3.33Å; A135-R141 HydrophobicContact CB-CB 3.87Å; T139-R141 VanDerWaalsContact C-N 3.27Å; T139-R141 PolarHBondContact O-N 3.43Å; R141-D143 VanDerWaalsContact C-N 3.31Å; R141-D143 PolarHBondContact O-N 3.33Å; R141-S145 WeakPolarHBondContact O-CA 3.36Å; R141-S145 VanDerWaalsContact O-CB 3.25Å; R141-S145 WeakPolarHBondContact O-CB 3.27Å; R141-S145 PolarHBondContact O-N 3.36Å; R141-N151 HydrophobicContact CG-CB 4.42Å; R141-N151 WeakPolarHBondContact CG-O 3.35Å; R141-V153 HydrophobicContact CG-CG1 4.33Å; R141-V153 PolarHBondContact NH2-O 3.34Å
142	G	97	Very high	93.2	Very high	29 Å²	29	56.8 Å²	56.8	30%	0.299	34%	0.336	S	S	.	.	H	α-helix	trans	-62.3	-39.3	177	0	0	0	0	0	112.3	T139	T139-G142 PolarHBondContact O-N 3.27Å; T139-G142 PolarHBondContact OG1-N 3.19Å
143	D	97.3	Very high	93.8	Very high	67 Å²	67	56.3 Å²	56.3	36%	0.358	33%	0.333	S	S	.	.	H	α-helix	trans	-85.4	-27.9	-176.2	-60.9	-23.3	0	0	0	113	R63 G138 T139 R141	R63-D143 IonicContact CZ-OD2 3.18Å; R63-D143 IonicContact NH1-OD2 2.8Å; R63-D143 PolarHBondContact NH1-OD2 3.45Å; R63-D143 IonicContact NH2-OD2 2.65Å; R63-D143 PolarHBondContact NH2-OD2 2.89Å; G138-D143 WeakPolarHBondContact CA-OD2 3.43Å; G138-D143 PolarHBondContact N-OD1 2.86Å; G138-D143 PolarHBondContact N-OD2 3.41Å; T139-D143 WeakPolarHBondContact O-CB 3.32Å; T139-D143 VanDerWaalsContact O-CG 3.27Å; T139-D143 PolarHBondContact O-N 2.73Å; R141-D143 VanDerWaalsContact C-N 3.31Å; R141-D143 PolarHBondContact O-N 3.33Å
144	F	96.4	Very high	94.3	Very high	38 Å²	38	53.2 Å²	53.2	17%	0.167	30%	0.303	C	S	.	.	H	α-helix	trans	-123	-5.6	-169.3	-54.2	-54	0	0	0	115.6	R54 L56 Q59 V140 V152	R54-F144 VanDerWaalsContact CZ-O 3.23Å; R54-F144 PolarHBondContact NH1-O 3.15Å; R54-F144 PolarHBondContact NH2-O 3.36Å; L56-F144 HydrophobicContact CD1-CB 3.77Å; L56-F144 HydrophobicContact CD1-CD1 4.46Å; L56-F144 HydrophobicContact CD1-CG 4.07Å; L56-F144 HydrophobicContact CD2-CD1 4.07Å; L56-F144 HydrophobicContact CD2-CE1 4.33Å; L56-F144 HydrophobicContact CD2-CG 4.37Å; Q59-F144 HydrophobicContact CB-CZ 4.33Å; V140-F144 HydrophobicContact CG1-CD2 4.08Å; V140-F144 WeakPolarHBondContact O-CB 3.47Å; V140-F144 VanDerWaalsContact O-CD2 3.29Å; V140-F144 WeakPolarHBondContact O-CD2 3.31Å; V140-F144 PolarHBondContact O-N 3.04Å; V140-F144 VanDerWaalsContact O-N 3.08Å; F144-V152 HydrophobicContact CB-CG2 4.28Å
145	S	92.3	Very high	94.5	Very high	10 Å²	10	48 Å²	48	7%	0.07	28%	0.278	C	S	.	.			trans	-120.6	143.1	-178	-53.4	0	0	0	0	111.7	P132 R141 N151 V152	P132-S145 WeakPolarHBondContact CB-O 3.34Å; P132-S145 VanDerWaalsContact CG-CB 3.49Å; R141-S145 WeakPolarHBondContact O-CA 3.36Å; R141-S145 VanDerWaalsContact O-CB 3.25Å; R141-S145 WeakPolarHBondContact O-CB 3.27Å; R141-S145 PolarHBondContact O-N 3.36Å; S145-N151 VanDerWaalsContact OG-C 3.24Å; S145-N151 WeakPolarHBondContact OG-CA 3.38Å; S145-N151 PolarHBondContact OG-O 3.2Å; S145-V152 VanDerWaalsContact OG-CG2 3.24Å; S145-V152 WeakPolarHBondContact OG-CG2 3.34Å
146	I	84.4	Confident	94.6	Very high	164 Å²	164	47.4 Å²	47.4	84%	0.841	27%	0.273	S	S	*	.	S	Bend	trans	-113.5	-32	177.4	-60.9	171.8	0	0	0	111
147	H	88.6	Confident	94.6	Very high	112 Å²	112	46.4 Å²	46.4	52%	0.519	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-129.1	139.8	-173.3	-167.4	-92.3	0	0	0	111.6	S149 R150	H147-S149 PolarHBondContact CE1-OG 2.68Å; H147-S149 PolarHBondContact ND1-N 2.95Å; H147-S149 PolarHBondContact ND1-OG 3.09Å; H147-S149 PolarHBondContact O-N 2.82Å; H147-S149 VanDerWaalsContact O-N 3.13Å; H147-R150 CarbonylContact O-C 3.23Å; H147-R150 VanDerWaalsContact O-C 3.23Å; H147-R150 PolarHBondContact O-N 3.46Å
148	V	87.9	Confident	94.7	Very high	72 Å²	72	43.8 Å²	43.8	44%	0.436	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-30.7	-175.1	67	0	0	0	0	113.7	T130 R150	T130-V148 HydrophobicContact CG2-CG2 4.38Å; V148-R150 PolarHBondContact O-N 2.89Å
149	S	86.9	Confident	94.7	Very high	56 Å²	56	43.2 Å²	43.2	39%	0.392	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-12.9	177.7	69.7	0	0	0	0	114.2	Y103 H147	Y103-S149 WeakPolarHBondContact CE1-O 3.41Å; H147-S149 PolarHBondContact CE1-OG 2.68Å; H147-S149 PolarHBondContact ND1-N 2.95Å; H147-S149 PolarHBondContact ND1-OG 3.09Å; H147-S149 PolarHBondContact O-N 2.82Å; H147-S149 VanDerWaalsContact O-N 3.13Å
150	R	91.3	Very high	94.7	Very high	110 Å²	110	48.2 Å²	48.2	42%	0.415	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-138.4	67.9	-178.3	-63.8	-62	-178.1	-92.3	1.3	109.1	D50 Y103 H147 V148	D50-R150 WeakPolarHBondContact OD2-CA 3.3Å; Y103-R150 VanDerWaalsContact CG-NH1 3.26Å; H147-R150 CarbonylContact O-C 3.23Å; H147-R150 VanDerWaalsContact O-C 3.23Å; H147-R150 PolarHBondContact O-N 3.46Å; V148-R150 PolarHBondContact O-N 2.89Å
151	N	94.2	Very high	94.6	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.032	26%	0.263	C	S	.	.			trans	-101.9	25.2	-173	72.6	-10.1	0	0	0	113.7	K48 T130 P132 R141 S145 V153	K48-N151 PolarHBondContact NZ-OD1 3.04Å; T130-N151 PolarHBondContact O-ND2 3.27Å; T130-N151 VanDerWaalsContact O-ND2 3.12Å; P132-N151 HydrophobicContact CG-CB 4.15Å; R141-N151 HydrophobicContact CG-CB 4.42Å; R141-N151 WeakPolarHBondContact CG-O 3.35Å; S145-N151 VanDerWaalsContact OG-C 3.24Å; S145-N151 WeakPolarHBondContact OG-CA 3.38Å; S145-N151 PolarHBondContact OG-O 3.2Å; N151-V153 PolarHBondContact O-N 3.29Å
152	V	96.1	Very high	94.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	65.9	-42.1	165	174.5	0	0	0	0	117.2	K48 D50 L56 I60 V140 F144 S145	K48-V152 WeakPolarHBondContact CB-O 3.44Å; K48-V152 PolarHBondContact N-O 2.95Å; D50-V152 WeakPolarHBondContact OD2-CA 3.25Å; D50-V152 PolarHBondContact OD2-N 3.26Å; D50-V152 VanDerWaalsContact OD2-N 3.12Å; L56-V152 HydrophobicContact CD1-CG1 3.99Å; L56-V152 HydrophobicContact CD1-CG2 4.12Å; I60-V152 HydrophobicContact CD1-CG1 3.57Å; V140-V152 HydrophobicContact CG1-CG1 4.25Å; F144-V152 HydrophobicContact CB-CG2 4.28Å; S145-V152 VanDerWaalsContact OG-CG2 3.24Å; S145-V152 WeakPolarHBondContact OG-CG2 3.34Å
153	V	97.6	Very high	94.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	143.8	-167.9	69.1	0	0	0	0	112.2	I45 A46 V127 V140 R141 N151	I45-V153 HydrophobicContact CG2-CG2 3.63Å; A46-V153 CarbonylContact O-C 3.53Å; A46-V153 WeakPolarHBondContact O-CA 3.48Å; V127-V153 HydrophobicContact CB-CG1 4.23Å; V127-V153 HydrophobicContact CG1-CG1 3.49Å; V127-V153 VanDerWaalsContact CG1-CG1 3.49Å; V127-V153 HydrophobicContact CG2-CG1 3.84Å; V127-V153 HydrophobicContact CG2-CG2 4.32Å; V140-V153 HydrophobicContact CB-CG1 4.19Å; V140-V153 HydrophobicContact CG1-CB 4.29Å; V140-V153 HydrophobicContact CG1-CG1 3.69Å; R141-V153 HydrophobicContact CG-CG1 4.33Å; R141-V153 PolarHBondContact NH2-O 3.34Å; N151-V153 PolarHBondContact O-N 3.29Å
154	H	97.9	Very high	94.7	Very high	25 Å²	25	56.4 Å²	56.4	12%	0.116	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	146.2	166	171.5	78.4	0	0	0	109.7	I45 A46 H87 E165	I45-H154 WeakPolarHBondContact CA-O 3.31Å; A46-H154 HydrophobicContact CB-CB 4.18Å; A46-H154 PolarHBondContact N-O 3.42Å; A46-H154 PolarHBondContact O-N 3.45Å; H87-H154 AromaticContact CE1-NE2 3.7Å; H87-H154 AromaticContact NE2-CD2 3.99Å; H87-H154 AromaticContact NE2-CE1 3.55Å; H87-H154 AromaticContact NE2-NE2 3.44Å; H87-H154 PolarHBondContact NE2-NE2 3.45Å; H154-E165 IonicContact CD2-OE2 3.9Å; H154-E165 IonicContact CE1-OE1 3.23Å; H154-E165 PolarHBondContact CE1-OE1 3.25Å; H154-E165 VanDerWaalsContact CE1-OE1 3.23Å; H154-E165 VanDerWaalsContact NE2-CD 3.31Å; H154-E165 IonicContact NE2-OE1 2.88Å; H154-E165 PolarHBondContact NE2-OE1 3.34Å; H154-E165 IonicContact NE2-OE2 3.02Å; H154-E165 PolarHBondContact NE2-OE2 3.24Å
155	A	98.1	Very high	94.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	132.6	171.5	0	0	0	0	0	109.5	I45 R124 V127	I45-A155 HydrophobicContact CD1-CB 3.52Å; R124-A155 PolarHBondContact NH1-O 2.81Å; R124-A155 VanDerWaalsContact NH1-O 3.15Å; V127-A155 HydrophobicContact CG2-CB 4.02Å
156	S	98.3	Very high	95.1	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.284	C	S	.	.			trans	-51.8	140.5	176.5	-44	0	0	0	0	111.1	L44 R124 A162 E165	L44-S156 WeakPolarHBondContact CB-OG 3.32Å; L44-S156 PolarHBondContact N-OG 3.43Å; L44-S156 VanDerWaalsContact N-OG 3.15Å; L44-S156 PolarHBondContact O-N 3.25Å; L44-S156 PolarHBondContact O-OG 3.41Å; R124-S156 VanDerWaalsContact CD-O 3.24Å; R124-S156 WeakPolarHBondContact CD-O 3.43Å; R124-S156 WeakPolarHBondContact CG-O 3.32Å; S156-A162 WeakPolarHBondContact OG-CA 3.34Å; S156-E165 WeakPolarHBondContact CB-OE2 3.4Å; S156-E165 PolarHBondContact OG-OE2 2.85Å
157	D	96.4	Very high	95.8	Very high	114 Å²	114	55.5 Å²	55.5	61%	0.61	28%	0.278	S	S	*	.	S	Bend	trans	-92.2	-15.8	-173.2	62.5	1.3	0	0	0	114.7
158	S	97.2	Very high	96.2	Very high	40 Å²	40	53 Å²	53	28%	0.28	27%	0.268	S	S	.	.	S	Bend	trans	-151.8	161	-173.5	54.5	0	0	0	0	109.9	E160 G161 A162	S158-E160 VanDerWaalsContact C-N 3.33Å; S158-G161 PolarHBondContact O-N 3.06Å; S158-G161 WeakPolarHBondContact OG-CA 2.99Å; S158-G161 PolarHBondContact OG-N 3.14Å; S158-A162 WeakPolarHBondContact O-CB 3.25Å; S158-A162 PolarHBondContact O-N 3.35Å
159	V	97.3	Very high	96.7	Very high	42 Å²	42	50.2 Å²	50.2	26%	0.255	25%	0.25	S	C	.	.	H	α-helix	trans	-65.2	-41.9	177.6	178	0	0	0	0	110.1	E41 V120 A162 Q163	E41-V159 HydrophobicContact CG-CG2 4.4Å; E41-V159 VanDerWaalsContact OE2-CG2 3.31Å; E41-V159 WeakPolarHBondContact OE2-CG2 3.35Å; V120-V159 HydrophobicContact CG2-CG2 4.23Å; V159-A162 WeakPolarHBondContact O-CB 3.49Å; V159-A162 PolarHBondContact O-N 2.73Å; V159-Q163 WeakPolarHBondContact O-CG 3.34Å; V159-Q163 PolarHBondContact O-N 3.29Å
160	E	97.1	Very high	97.2	Very high	122 Å²	122	48.1 Å²	48.1	57%	0.57	23%	0.234	S	C	*	.	H	α-helix	trans	-65.5	-42.4	177.1	-62.2	71	-155.3	0	0	111.2	S158 Q163 K164	S158-E160 VanDerWaalsContact C-N 3.33Å; E160-Q163 PolarHBondContact O-N 3.22Å; E160-K164 WeakPolarHBondContact O-CG 3.43Å; E160-K164 PolarHBondContact O-N 2.92Å
161	G	97.5	Very high	97.5	Very high	14 Å²	14	48.5 Å²	48.5	14%	0.144	24%	0.24	C	C	.	.	H	α-helix	trans	-61.1	-46.1	173.8	0	0	0	0	0	111.6	S158 Q163 K164 E165	S158-G161 PolarHBondContact O-N 3.06Å; S158-G161 WeakPolarHBondContact OG-CA 2.99Å; S158-G161 PolarHBondContact OG-N 3.14Å; G161-Q163 VanDerWaalsContact C-N 3.34Å; G161-Q163 PolarHBondContact O-N 3.48Å; G161-K164 PolarHBondContact O-N 3.06Å; G161-E165 WeakPolarHBondContact O-CB 3.5Å; G161-E165 VanDerWaalsContact O-CG 3.32Å; G161-E165 WeakPolarHBondContact O-CG 3.33Å; G161-E165 PolarHBondContact O-N 2.96Å
162	A	98.3	Very high	97.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.1	-43.7	176.4	0	0	0	0	0	112.5	R42 V120 S156 S158 V159 K164 E165 I166	R42-A162 WeakPolarHBondContact O-CB 3.44Å; V120-A162 HydrophobicContact CG2-CB 4.03Å; S156-A162 WeakPolarHBondContact OG-CA 3.34Å; S158-A162 WeakPolarHBondContact O-CB 3.25Å; S158-A162 PolarHBondContact O-N 3.35Å; V159-A162 WeakPolarHBondContact O-CB 3.49Å; V159-A162 PolarHBondContact O-N 2.73Å; A162-K164 PolarHBondContact O-N 2.95Å; A162-E165 PolarHBondContact O-N 3.39Å; A162-I166 WeakPolarHBondContact O-CB 3.29Å; A162-I166 WeakPolarHBondContact O-CD1 3.34Å; A162-I166 WeakPolarHBondContact O-CG1 3.45Å; A162-I166 PolarHBondContact O-N 3.42Å
163	Q	97.6	Very high	97.3	Very high	106 Å²	106	62 Å²	62	50%	0.495	31%	0.31	S	S	.	.	H	α-helix	trans	-61.1	-46	178	-72.6	172	1.7	0	0	112.1	V159 E160 G161 I166 Q167	V159-Q163 WeakPolarHBondContact O-CG 3.34Å; V159-Q163 PolarHBondContact O-N 3.29Å; E160-Q163 PolarHBondContact O-N 3.22Å; G161-Q163 VanDerWaalsContact C-N 3.34Å; G161-Q163 PolarHBondContact O-N 3.48Å; Q163-I166 PolarHBondContact O-N 3.26Å; Q163-Q167 VanDerWaalsContact O-CG 3.29Å; Q163-Q167 WeakPolarHBondContact O-CG 3.35Å; Q163-Q167 PolarHBondContact O-N 3.08Å
164	K	97.9	Very high	97.2	Very high	153 Å²	153	65.1 Å²	65.1	67%	0.665	33%	0.326	S	S	*	.	H	α-helix	trans	-62.3	-46.9	177	-69.2	174.9	-177.8	177.3	0	111.5	E160 G161 A162 Q167 L168	E160-K164 WeakPolarHBondContact O-CG 3.43Å; E160-K164 PolarHBondContact O-N 2.92Å; G161-K164 PolarHBondContact O-N 3.06Å; A162-K164 PolarHBondContact O-N 2.95Å; K164-Q167 PolarHBondContact O-N 3.26Å; K164-L168 PolarHBondContact O-N 3.02Å
165	E	98.5	Very high	97.2	Very high	26 Å²	26	65.3 Å²	65.3	12%	0.121	33%	0.328	C	S	.	.	H	α-helix	trans	-61.2	-47.6	178	-72.4	-176.8	166.1	0	0	110.9	L44 H87 H154 S156 G161 A162 Q167 L168 W169	L44-E165 HydrophobicContact CB-CB 4.02Å; L44-E165 HydrophobicContact CD1-CB 4.37Å; L44-E165 HydrophobicContact CD2-CB 4.13Å; L44-E165 HydrophobicContact CG-CB 4.39Å; H87-E165 VanDerWaalsContact CE1-CD 3.45Å; H87-E165 IonicContact CE1-OE1 3.33Å; H87-E165 PolarHBondContact CE1-OE1 3.31Å; H87-E165 IonicContact CE1-OE2 3.98Å; H87-E165 IonicContact NE2-OE1 3.2Å; H87-E165 PolarHBondContact NE2-OE1 3.26Å; H154-E165 IonicContact CD2-OE2 3.9Å; H154-E165 IonicContact CE1-OE1 3.23Å; H154-E165 PolarHBondContact CE1-OE1 3.25Å; H154-E165 VanDerWaalsContact CE1-OE1 3.23Å; H154-E165 VanDerWaalsContact NE2-CD 3.31Å; H154-E165 IonicContact NE2-OE1 2.88Å; H154-E165 PolarHBondContact NE2-OE1 3.34Å; H154-E165 IonicContact NE2-OE2 3.02Å; H154-E165 PolarHBondContact NE2-OE2 3.24Å; S156-E165 WeakPolarHBondContact CB-OE2 3.4Å; S156-E165 PolarHBondContact OG-OE2 2.85Å; G161-E165 WeakPolarHBondContact O-CB 3.5Å; G161-E165 VanDerWaalsContact O-CG 3.32Å; G161-E165 WeakPolarHBondContact O-CG 3.33Å; G161-E165 PolarHBondContact O-N 2.96Å; A162-E165 PolarHBondContact O-N 3.39Å; E165-Q167 VanDerWaalsContact C-N 3.32Å; E165-Q167 PolarHBondContact O-N 3.5Å; E165-L168 WeakPolarHBondContact O-CB 3.43Å; E165-L168 PolarHBondContact O-N 2.92Å; E165-L168 VanDerWaalsContact O-N 3.13Å; E165-W169 PolarHBondContact O-N 2.86Å
166	I	98.6	Very high	97.1	Very high	15 Å²	15	70.7 Å²	70.7	8%	0.077	36%	0.356	C	S	.	.	H	α-helix	trans	-59.2	-44	178.7	-69.1	163.3	0	0	0	110.9	R42 L44 V113 A162 Q163 L168 W169 F170 L175	R42-I166 HydrophobicContact CB-CD1 3.66Å; L44-I166 HydrophobicContact CB-CG1 4.11Å; L44-I166 HydrophobicContact CD1-CG1 4.22Å; V113-I166 HydrophobicContact CG1-CD1 3.77Å; V113-I166 HydrophobicContact CG1-CG1 4.09Å; V113-I166 HydrophobicContact CG2-CG1 4.07Å; V113-I166 HydrophobicContact CG2-CG2 4.27Å; A162-I166 WeakPolarHBondContact O-CB 3.29Å; A162-I166 WeakPolarHBondContact O-CD1 3.34Å; A162-I166 WeakPolarHBondContact O-CG1 3.45Å; A162-I166 PolarHBondContact O-N 3.42Å; Q163-I166 PolarHBondContact O-N 3.26Å; I166-L168 VanDerWaalsContact C-N 3.3Å; I166-L168 PolarHBondContact O-N 3.18Å; I166-W169 PolarHBondContact O-N 3.21Å; I166-F170 PolarHBondContact O-N 2.8Å; I166-L175 HydrophobicContact CG2-CD1 3.95Å
167	Q	98	Very high	96.8	Very high	152 Å²	152	76 Å²	76	71%	0.71	38%	0.384	S	S	*	.	H	α-helix	trans	-64.5	-33.1	177.7	-72.1	173.4	17.7	0	0	113	Q163 K164 E165	Q163-Q167 VanDerWaalsContact O-CG 3.29Å; Q163-Q167 WeakPolarHBondContact O-CG 3.35Å; Q163-Q167 PolarHBondContact O-N 3.08Å; K164-Q167 PolarHBondContact O-N 3.26Å; E165-Q167 VanDerWaalsContact C-N 3.32Å; E165-Q167 PolarHBondContact O-N 3.5Å
168	L	98.1	Very high	96.6	Very high	61 Å²	61	75.9 Å²	75.9	32%	0.319	38%	0.376	S	S	.	.	H	α-helix	trans	-68.8	-40.9	175.3	179.7	63.6	0	0	0	111.6	V83 E86 H87 K164 E165 I166	V83-L168 HydrophobicContact CG2-CD1 4.05Å; V83-L168 HydrophobicContact CG2-CD2 4.27Å; V83-L168 HydrophobicContact CG2-CG 3.94Å; E86-L168 HydrophobicContact CB-CD1 4.06Å; E86-L168 HydrophobicContact CB-CD2 4.13Å; E86-L168 HydrophobicContact CG-CD1 3.76Å; E86-L168 HydrophobicContact CG-CD2 4.16Å; H87-L168 HydrophobicContact CB-CD2 3.81Å; K164-L168 PolarHBondContact O-N 3.02Å; E165-L168 WeakPolarHBondContact O-CB 3.43Å; E165-L168 PolarHBondContact O-N 2.92Å; E165-L168 VanDerWaalsContact O-N 3.13Å; I166-L168 VanDerWaalsContact C-N 3.3Å; I166-L168 PolarHBondContact O-N 3.18Å
169	W	98.3	Very high	96.1	Very high	12 Å²	12	79.7 Å²	79.7	5%	0.045	39%	0.393	C	S	.	.	H	α-helix	trans	-92.1	-28.1	-173.6	-71	96.9	0	0	0	114.3	L44 K75 L77 A79 V83 L84 H87 V111 E165 I166	L44-W169 HydrophobicContact CD1-CB 3.87Å; L44-W169 HydrophobicContact CD1-CG 3.96Å; K75-W169 WeakPolarHBondContact CE-O 3.21Å; K75-W169 PolarHBondContact NZ-O 2.98Å; L77-W169 HydrophobicContact CD1-CE3 4.44Å; L77-W169 HydrophobicContact CD1-CZ3 4.09Å; L77-W169 HydrophobicContact CD2-CZ3 4.37Å; A79-W169 HydrophobicContact CB-CH2 3.73Å; A79-W169 HydrophobicContact CB-CZ3 4.05Å; V83-W169 HydrophobicContact CG1-CH2 4.12Å; V83-W169 HydrophobicContact CG1-CZ3 4.35Å; V83-W169 HydrophobicContact CG2-CH2 4.44Å; V83-W169 HydrophobicContact CG2-CZ2 4.42Å; L84-W169 HydrophobicContact CD2-CH2 4.16Å; L84-W169 HydrophobicContact CD2-CZ2 4.24Å; H87-W169 HydrophobicContact CB-CZ2 4.49Å; H87-W169 AromaticContact CE1-NE1 3.58Å; H87-W169 AromaticContact CG-NE1 3.9Å; H87-W169 AromaticContact ND1-CD1 3.83Å; H87-W169 AromaticContact ND1-CE2 3.67Å; H87-W169 AromaticContact ND1-CZ2 3.93Å; H87-W169 AromaticContact ND1-NE1 2.82Å; H87-W169 PolarHBondContact ND1-NE1 3.43Å; V111-W169 HydrophobicContact CB-CE3 4.44Å; V111-W169 HydrophobicContact CG1-CB 4.19Å; V111-W169 HydrophobicContact CG1-CD2 4.08Å; V111-W169 HydrophobicContact CG1-CE3 4.3Å; V111-W169 HydrophobicContact CG1-CG 4.02Å; V111-W169 HydrophobicContact CG2-CD2 4.29Å; V111-W169 HydrophobicContact CG2-CE3 3.82Å; V111-W169 HydrophobicContact CG2-CH2 4.43Å; V111-W169 HydrophobicContact CG2-CZ3 3.89Å; E165-W169 PolarHBondContact O-N 2.86Å; I166-W169 PolarHBondContact O-N 3.21Å
170	F	98.1	Very high	95.4	Very high	13 Å²	13	78.7 Å²	78.7	6%	0.057	39%	0.387	C	S	.	.			trans	-129.5	138.2	-171.6	-69.7	-95.1	0	0	0	111.8	L44 K75 V111 V113 I166 D174 L175	L44-F170 HydrophobicContact CD1-CD2 4.31Å; L44-F170 HydrophobicContact CD1-CE2 4.12Å; K75-F170 HydrophobicContact CD-CE1 4.23Å; K75-F170 HydrophobicContact CD-CZ 4.42Å; K75-F170 HydrophobicContact CG-CE1 3.95Å; K75-F170 HydrophobicContact CG-CZ 3.9Å; V111-F170 HydrophobicContact CB-CE2 4.4Å; V111-F170 HydrophobicContact CB-CZ 4.47Å; V111-F170 HydrophobicContact CG1-CE2 3.81Å; V111-F170 HydrophobicContact CG1-CZ 4.33Å; V113-F170 HydrophobicContact CG2-CD2 3.53Å; V113-F170 HydrophobicContact CG2-CE2 3.46Å; V113-F170 VanDerWaalsContact CG2-CE2 3.46Å; V113-F170 HydrophobicContact CG2-CG 4.12Å; V113-F170 HydrophobicContact CG2-CZ 3.99Å; I166-F170 PolarHBondContact O-N 2.8Å; F170-D174 HydrophobicContact CB-CB 4.38Å; F170-D174 HydrophobicContact CD1-CB 3.75Å; F170-L175 HydrophobicContact CB-CD2 3.84Å; F170-L175 HydrophobicContact CB-CG 4.15Å; F170-L175 HydrophobicContact CD1-CD2 3.86Å; F170-L175 HydrophobicContact CG-CD2 3.86Å
171	Q	96.4	Very high	94.4	Very high	118 Å²	118	83.1 Å²	83.1	55%	0.551	40%	0.399	S	S	*	.			trans	-81.6	156.2	163.3	-58.8	-172.4	-25.6	0	0	109.1	K173 D174	Q171-K173 HydrophobicContact CB-CG 4.14Å; Q171-K173 PolarHBondContact O-N 3.28Å; Q171-K173 VanDerWaalsContact O-N 3.11Å; Q171-D174 WeakPolarHBondContact CB-OD2 3.42Å; Q171-D174 PolarHBondContact N-OD2 3.33Å; Q171-D174 WeakPolarHBondContact O-CB 3.29Å; Q171-D174 PolarHBondContact O-N 3.13Å
172	T	92.5	Very high	93.2	Very high	129 Å²	129	88.7 Å²	88.7	79%	0.791	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-54.4	-36.2	-179.9	-50.7	0	0	0	0	113	D174 L175	T172-D174 PolarHBondContact O-N 2.93Å; T172-L175 PolarHBondContact O-N 3.12Å
173	K	94.7	Very high	91.6	Very high	161 Å²	161	91.9 Å²	91.9	70%	0.7	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-68.7	-17.9	177.6	65.2	169.6	-177.1	-170.7	0	114.3	Q171 L175	Q171-K173 HydrophobicContact CB-CG 4.14Å; Q171-K173 PolarHBondContact O-N 3.28Å; Q171-K173 VanDerWaalsContact O-N 3.11Å; K173-L175 VanDerWaalsContact C-N 3.26Å
174	D	94.6	Very high	89.5	Confident	64 Å²	64	90.6 Å²	90.6	34%	0.342	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-84.6	-7.7	178.3	-53	-32.7	0	0	0	111.3	F170 Q171 T172	F170-D174 HydrophobicContact CB-CB 4.38Å; F170-D174 HydrophobicContact CD1-CB 3.75Å; Q171-D174 WeakPolarHBondContact CB-OD2 3.42Å; Q171-D174 PolarHBondContact N-OD2 3.33Å; Q171-D174 WeakPolarHBondContact O-CB 3.29Å; Q171-D174 PolarHBondContact O-N 3.13Å; T172-D174 PolarHBondContact O-N 2.93Å
175	L	97.6	Very high	87.2	Confident	30 Å²	30	87.2 Å²	87.2	16%	0.157	44%	0.436	C	S	.	.	S	Bend	trans	-106.3	124.2	-179.5	-56.7	-179.9	0	0	0	110	V72 V113 I166 F170 T172 K173	V72-L175 CarbonylContact O-C 3.59Å; V72-L175 WeakPolarHBondContact O-CA 3.44Å; V113-L175 HydrophobicContact CB-CD2 4.09Å; V113-L175 HydrophobicContact CG1-CD2 4.43Å; V113-L175 HydrophobicContact CG2-CD2 3.81Å; I166-L175 HydrophobicContact CG2-CD1 3.95Å; F170-L175 HydrophobicContact CB-CD2 3.84Å; F170-L175 HydrophobicContact CB-CG 4.15Å; F170-L175 HydrophobicContact CD1-CD2 3.86Å; F170-L175 HydrophobicContact CG-CD2 3.86Å; T172-L175 PolarHBondContact O-N 3.12Å; K173-L175 VanDerWaalsContact C-N 3.26Å
176	L	96.3	Very high	84.8	Confident	113 Å²	113	91.9 Å²	91.9	59%	0.592	47%	0.466	S	S	*	.			trans	-93.7	137.8	-179.3	-57.9	-179.4	0	0	0	110.7	V72	V72-L176 WeakPolarHBondContact CB-O 3.38Å; V72-L176 PolarHBondContact O-N 3.2Å
177	D	92	Very high	82.1	Confident	110 Å²	110	94.3 Å²	94.3	59%	0.588	49%	0.494	S	S	*	.			trans	-105.4	117.7	165.7	-166.9	16.6	0	0	0	108.2	R40	R40-D177 IonicContact CZ-OD1 3.81Å; R40-D177 IonicContact NH1-OD1 3.64Å; R40-D177 PolarHBondContact NH1-OD1 2.97Å; R40-D177 IonicContact NH1-OD2 3.59Å; R40-D177 IonicContact NH2-OD1 2.98Å; R40-D177 IonicContact NH2-OD2 3.91Å
178	W	92.5	Very high	79.1	Confident	113 Å²	113	94.5 Å²	94.5	43%	0.428	50%	0.5	S	S	.	.			trans	-149.2	154.3	-177.2	66	-83.6	0	0	0	110.6	K70 L71	K70-W178 HydrophobicContact CD-CD2 4Å; K70-W178 HydrophobicContact CD-CE3 4.48Å; K70-W178 HydrophobicContact CD-CG 4.38Å; K70-W178 HydrophobicContact CD-CZ2 4.05Å; K70-W178 VanDerWaalsContact CD-O 3.28Å; K70-W178 WeakPolarHBondContact CD-O 3.39Å; K70-W178 WeakPolarHBondContact CE-O 3.27Å; K70-W178 HydrophobicContact CG-CD2 4.23Å; K70-W178 VanDerWaalsContact CG-CE2 3.48Å; K70-W178 HydrophobicContact CG-CH2 4.03Å; K70-W178 HydrophobicContact CG-CZ2 3.39Å; K70-W178 PolarHBondContact NZ-O 3.4Å; L71-W178 PolarHBondContact O-NE1 3.02Å
179	D	87.4	Confident	76.2	Confident	120 Å²	120	101.4 Å²	101.4	64%	0.642	55%	0.545	S	S	*	.			trans	-91.1	126	-178.5	-64.5	-40.6	0	0	0	110.8	T184	D179-T184 HydrophobicContact CB-CG2 4.46Å
180	S	81.3	Confident	75.1	Confident	20 Å²	20	105.9 Å²	105.9	14%	0.14	57%	0.57	C	S	.	*			trans	-84.6	138	169.6	178.4	0	0	0	0	110	D182 Q183 T184	S180-D182 PolarHBondContact O-N 2.88Å; S180-D182 PolarHBondContact OG-N 2.93Å; S180-Q183 PolarHBondContact O-N 3.06Å; S180-Q183 VanDerWaalsContact O-N 3.13Å; S180-T184 PolarHBondContact O-N 3.18Å; S180-T184 PolarHBondContact O-OG1 2.99Å
181	W	76.6	Confident	73.9	Confident	216 Å²	216	110.7 Å²	110.7	82%	0.818	60%	0.597	S	S	*	*	H	α-helix	trans	-57.1	-36.3	174.3	-81.1	95.4	0	0	0	112.5	Q183 T184 S185	W181-Q183 VanDerWaalsContact C-N 3.3Å; W181-Q183 PolarHBondContact O-N 3.24Å; W181-T184 WeakPolarHBondContact CA-OG1 3.45Å; W181-T184 PolarHBondContact O-OG1 2.85Å; W181-S185 PolarHBondContact O-OG 3.05Å; W181-S185 VanDerWaalsContact O-OG 3.11Å
182	D	72.2	Confident	72.6	Confident	131 Å²	131	110.3 Å²	110.3	70%	0.701	60%	0.599	S	S	*	*	H	α-helix	trans	-76.6	-20	-178.1	-54.7	-25.5	0	0	0	112.2	S180	S180-D182 PolarHBondContact O-N 2.88Å; S180-D182 PolarHBondContact OG-N 2.93Å
183	Q	63.7	Low	71.4	Confident	67 Å²	67	109.2 Å²	109.2	31%	0.313	59%	0.588	S	S	.	*	H	α-helix	trans	-92.7	-21	179.9	-67.5	-178.3	-7.5	0	0	113.1	S180 W181	S180-Q183 PolarHBondContact O-N 3.06Å; S180-Q183 VanDerWaalsContact O-N 3.13Å; W181-Q183 VanDerWaalsContact C-N 3.3Å; W181-Q183 PolarHBondContact O-N 3.24Å
184	T	55.3	Low	70	Confident	79 Å²	79	106 Å²	106	49%	0.485	58%	0.581	S	S	.	*	H	α-helix	trans	-82	-16	179.2	26	0	0	0	0	112.9	D179 S180 W181	D179-T184 HydrophobicContact CB-CG2 4.46Å; S180-T184 PolarHBondContact O-N 3.18Å; S180-T184 PolarHBondContact O-OG1 2.99Å; W181-T184 WeakPolarHBondContact CA-OG1 3.45Å; W181-T184 PolarHBondContact O-OG1 2.85Å
185	S	48.5	Very low	68.3	Low	82 Å²	82	108.8 Å²	108.8	57%	0.573	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-2.9	-173.5	-56.1	0	0	0	0	114.8	W181	W181-S185 PolarHBondContact O-OG 3.05Å; W181-S185 VanDerWaalsContact O-OG 3.11Å
186	T	48	Very low	66.3	Low	124 Å²	124	114.4 Å²	114.4	76%	0.761	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	5.8	-179.2	57.1	0	0	0	0	114
187	G	41.6	Very low	63.9	Low	65 Å²	65	114.5 Å²	114.5	67%	0.67	63%	0.631	S	S	*	*	S	Bend	trans	-93.8	-16.7	-178.3	0	0	0	0	0	115.8
188	D	35.3	Very low	61.6	Low	156 Å²	156	114.9 Å²	114.9	83%	0.834	63%	0.634	S	S	*	*			trans	-125.5	35.9	-165.4	-70.2	-32.4	0	0	0	114.3
189	V	37	Very low	58.8	Low	206 Å²	206	115.1 Å²	115.1	100%	1.248	65%	0.653	S	S	*	*			trans	-123.9	0	169.8	-166.7	0	0	0	0	111.5

Retrieved 189 of 189 residues in 199.7 ms (Link to these results)

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