A0AA82N7V2_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N7V2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 191 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.4	Very low	55.2	Low	244 Å²	244	153.5 Å²	153.5	100%	1.202	77%	0.771	S	S	*	*				0	104.1	0	-120.4	174.5	171.2	0	0	107.2	K3	M1-K3 PolarHBondContact O-N 3.12Å
2	V	46.3	Very low	56.2	Low	135 Å²	135	148.1 Å²	148.1	82%	0.818	75%	0.747	S	S	*	*			trans	-72.5	112.9	170.4	177.8	0	0	0	0	105.6	V4	V2-V4 HydrophobicContact CG1-CG2 4.37Å; V2-V4 PolarHBondContact O-N 3.28Å
3	K	52.2	Low	57.2	Low	206 Å²	206	141.1 Å²	141.1	90%	0.896	72%	0.716	S	S	*	*			trans	-75.6	87.3	177.7	-149	176.3	-171.4	178.5	0	106.4	M1 A5	M1-K3 PolarHBondContact O-N 3.12Å; K3-A5 PolarHBondContact O-N 2.93Å
4	V	50.9	Low	58.2	Low	123 Å²	123	142.6 Å²	142.6	75%	0.745	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-61.7	123.6	173	-177	0	0	0	0	106.4	V2 K6	V2-V4 HydrophobicContact CG1-CG2 4.37Å; V2-V4 PolarHBondContact O-N 3.28Å; V4-K6 PolarHBondContact O-N 3.26Å
5	A	57.4	Low	59.4	Low	87 Å²	87	136.5 Å²	136.5	72%	0.719	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-55.7	128.5	176.7	0	0	0	0	0	108.2	K3 E7	K3-A5 PolarHBondContact O-N 2.93Å; A5-E7 PolarHBondContact O-N 3.27Å; A5-E7 VanDerWaalsContact O-N 3.12Å
6	K	61.2	Low	60.7	Low	166 Å²	166	132.4 Å²	132.4	72%	0.722	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-60.3	119.6	176.4	-168.7	178.6	-178.8	-170.5	0	106.6	V4 F8	V4-K6 PolarHBondContact O-N 3.26Å; K6-F8 PolarHBondContact O-N 3.2Å
7	E	58.9	Low	61.7	Low	180 Å²	180	132.8 Å²	132.8	84%	0.841	66%	0.663	S	S	*	*			trans	-55.2	116	168.7	-171.1	146.6	-170.8	0	0	107	A5 Q9	A5-E7 PolarHBondContact O-N 3.27Å; A5-E7 VanDerWaalsContact O-N 3.12Å; E7-Q9 PolarHBondContact O-N 3.42Å
8	F	59.9	Low	62.8	Low	154 Å²	154	129.3 Å²	129.3	68%	0.675	65%	0.654	S	S	*	*			trans	-60.9	129.6	179.9	-69.7	-86.4	0	0	0	107.1	K6 K10 V13	K6-F8 PolarHBondContact O-N 3.2Å; F8-K10 PolarHBondContact O-N 3.31Å; F8-V13 HydrophobicContact CB-CG2 3.65Å; F8-V13 HydrophobicContact CG-CG2 4.29Å
9	Q	57.3	Low	63.8	Low	121 Å²	121	123.9 Å²	123.9	57%	0.565	63%	0.634	S	S	*	*			trans	-60.7	142.1	168.9	-67.3	-169.6	18.9	0	0	106.8	E7 D11 D12	E7-Q9 PolarHBondContact O-N 3.42Å; Q9-D11 PolarHBondContact O-N 2.82Å; Q9-D12 PolarHBondContact O-N 2.91Å
10	K	58.4	Low	64.8	Low	154 Å²	154	122.9 Å²	122.9	67%	0.67	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-49.5	-29.3	178.8	-174.3	169.6	178.5	131.8	0	111.3	F8 K38	F8-K10 PolarHBondContact O-N 3.31Å; K10-K38 WeakPolarHBondContact O-CE 3.43Å
11	D	64.8	Low	65.6	Low	118 Å²	118	121.2 Å²	121.2	63%	0.631	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-75.5	-13.3	178.5	-57.1	-36	0	0	0	116.3	Q9 K38	Q9-D11 PolarHBondContact O-N 2.82Å; D11-K38 IonicContact OD1-NZ 2.61Å; D11-K38 PolarHBondContact OD1-NZ 3.05Å
12	D	67.8	Low	67.7	Low	89 Å²	89	114 Å²	114	48%	0.476	59%	0.592	S	S	.	*	G	3₁₀ helix	trans	-97.4	-3.1	-178.5	-64.4	-32	0	0	0	113.5	Q9	Q9-D12 PolarHBondContact O-N 2.91Å
13	V	69.6	Low	69.2	Low	57 Å²	57	109.8 Å²	109.8	35%	0.345	57%	0.568	S	S	.	*			trans	-102.1	106	-175.5	-171.5	0	0	0	0	110.4	F8 I41	F8-V13 HydrophobicContact CB-CG2 3.65Å; F8-V13 HydrophobicContact CG-CG2 4.29Å; V13-I41 HydrophobicContact CG1-CG2 3.92Å
14	Y	71.1	Confident	70.5	Confident	163 Å²	163	103.4 Å²	103.4	64%	0.639	56%	0.56	S	S	*	*			trans	-119.6	146.4	165.4	57.1	-88.7	0	0	0	108.8	L16	Y14-L16 HydrophobicContact CD2-CD2 3.68Å; Y14-L16 HydrophobicContact CD2-CG 4.39Å; Y14-L16 HydrophobicContact CE2-CD2 3.48Å; Y14-L16 VanDerWaalsContact CE2-CD2 3.48Å; Y14-L16 HydrophobicContact CE2-CG 4.44Å
15	S	75.5	Confident	71.9	Confident	51 Å²	51	106.7 Å²	106.7	36%	0.357	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.6	121.2	170.2	-173.8	0	0	0	0	107.1	V36	S15-V36 PolarHBondContact O-N 3.35Å
16	L	80.4	Confident	73	Confident	71 Å²	71	108.8 Å²	108.8	37%	0.372	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.2	138.1	176.4	69.1	90.5	0	0	0	108.7	Y14 E33 V34	Y14-L16 HydrophobicContact CD2-CD2 3.68Å; Y14-L16 HydrophobicContact CD2-CG 4.39Å; Y14-L16 HydrophobicContact CE2-CD2 3.48Å; Y14-L16 VanDerWaalsContact CE2-CD2 3.48Å; Y14-L16 HydrophobicContact CE2-CG 4.44Å; L16-E33 HydrophobicContact CB-CG 4.01Å; L16-E33 VanDerWaalsContact CB-OE1 3.26Å; L16-E33 WeakPolarHBondContact CB-OE1 3.28Å; L16-E33 HydrophobicContact CD1-CG 4.44Å; L16-E33 VanDerWaalsContact CD2-OE1 3.24Å; L16-E33 WeakPolarHBondContact CD2-OE1 2.8Å; L16-V34 WeakPolarHBondContact CA-O 3.42Å
17	F	78.6	Confident	73.6	Confident	138 Å²	138	110.5 Å²	110.5	61%	0.605	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.7	121.6	162.1	-176.5	-92.5	0	0	0	107.4	E33 V34	F17-E33 WeakPolarHBondContact O-CA 3.12Å; F17-V34 HydrophobicContact CB-CB 4.47Å; F17-V34 PolarHBondContact N-O 2.98Å; F17-V34 PolarHBondContact O-N 3.25Å
18	S	81.3	Confident	74.6	Confident	70 Å²	70	106.9 Å²	106.9	49%	0.49	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.2	136	177.4	-177.6	0	0	0	0	110.6	A32	S18-A32 VanDerWaalsContact CA-O 3.27Å; S18-A32 WeakPolarHBondContact CA-O 3.35Å; S18-A32 PolarHBondContact OG-O 2.62Å
19	G	82.1	Confident	75.7	Confident	27 Å²	27	105.1 Å²	105.1	28%	0.278	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-136.1	148.7	176.8	0	0	0	0	0	110.9	W31 A32	G19-W31 WeakPolarHBondContact O-CA 3.39Å; G19-A32 PolarHBondContact N-O 3.02Å; G19-A32 PolarHBondContact O-N 3.44Å
20	V	83.6	Confident	76.8	Confident	104 Å²	104	104 Å²	104	63%	0.63	55%	0.547	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	130	168.7	-179.4	0	0	0	0	107.6	D29 E30	V20-D29 HydrophobicContact CG1-CB 3.81Å; V20-E30 WeakPolarHBondContact CA-O 3.33Å
21	F	80.6	Confident	77.8	Confident	87 Å²	87	106.1 Å²	106.1	38%	0.382	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.9	143.2	175	58.3	-75.5	0	0	0	108.7	C23 E30 A32	F21-C23 WeakPolarHBondContact CD2-SG 3.28Å; F21-C23 WeakPolarHBondContact CE2-SG 3.23Å; F21-E30 VanDerWaalsContact CD1-O 3.3Å; F21-E30 WeakPolarHBondContact CD1-O 3.41Å; F21-E30 HydrophobicContact CD2-CB 4.4Å; F21-E30 HydrophobicContact CE1-CB 4.14Å; F21-E30 HydrophobicContact CE1-CG 4.2Å; F21-E30 WeakPolarHBondContact CE1-O 3.44Å; F21-E30 HydrophobicContact CE2-CB 3.93Å; F21-E30 HydrophobicContact CE2-CG 4.15Å; F21-E30 HydrophobicContact CZ-CB 3.77Å; F21-E30 HydrophobicContact CZ-CG 3.65Å; F21-E30 PolarHBondContact N-O 3.42Å; F21-E30 PolarHBondContact O-N 3.45Å; F21-A32 HydrophobicContact CD1-CB 4.02Å; F21-A32 HydrophobicContact CE1-CB 3.34Å; F21-A32 HydrophobicContact CZ-CB 4.18Å
22	T	83	Confident	78.4	Confident	93 Å²	93	102.5 Å²	102.5	57%	0.571	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	122.7	178.5	51	0	0	0	0	109.6	D29	T22-D29 VanDerWaalsContact CG2-OD1 3.3Å; T22-D29 WeakPolarHBondContact CG2-OD1 3.43Å
23	C	78.9	Confident	79	Confident	47 Å²	47	103.4 Å²	103.4	32%	0.318	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	142.7	175.5	-83.3	0	0	0	0	111.9	F21 D28 E30	F21-C23 WeakPolarHBondContact CD2-SG 3.28Å; F21-C23 WeakPolarHBondContact CE2-SG 3.23Å; C23-D28 PolarHBondContact N-O 3.21Å; C23-D28 VanDerWaalsContact N-O 3.08Å; C23-D28 PolarHBondContact O-N 3.44Å; C23-E30 PolarHBondContact SG-OE2 2.92Å
24	G	80	Confident	79.5	Confident	71 Å²	71	104 Å²	104	73%	0.732	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	-178.6	170.7	0	0	0	0	0	115.6	N26	G24-N26 VanDerWaalsContact C-N 3.34Å
25	E	80	Confident	80	Confident	192 Å²	192	102.5 Å²	102.5	90%	0.897	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-30.1	-177.4	-167.3	171	-167.3	0	0	112.4	R27	E25-R27 PolarHBondContact O-N 2.9Å
26	N	80.1	Confident	80.3	Confident	132 Å²	132	100.4 Å²	100.4	71%	0.706	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-7.8	-179.9	-67	-22.1	0	0	0	113.8	G24 D28	G24-N26 VanDerWaalsContact C-N 3.34Å; N26-D28 VanDerWaalsContact C-N 3.26Å; N26-D28 WeakPolarHBondContact CB-OD2 3.46Å; N26-D28 PolarHBondContact O-N 3.48Å
27	R	74	Confident	80.3	Confident	201 Å²	201	99.1 Å²	99.1	76%	0.758	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	40	-176.6	-53.5	-178.1	-179.3	-172.7	-1	112.9	E25 D29	E25-R27 PolarHBondContact O-N 2.9Å; R27-D29 PolarHBondContact O-N 2.99Å
28	D	80.7	Confident	80.2	Confident	104 Å²	104	96.3 Å²	96.3	56%	0.556	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	126	174.5	-63.5	-46.5	0	0	0	108.4	C23 N26 E30	C23-D28 PolarHBondContact N-O 3.21Å; C23-D28 VanDerWaalsContact N-O 3.08Å; C23-D28 PolarHBondContact O-N 3.44Å; N26-D28 VanDerWaalsContact C-N 3.26Å; N26-D28 WeakPolarHBondContact CB-OD2 3.46Å; N26-D28 PolarHBondContact O-N 3.48Å; D28-E30 PolarHBondContact O-N 3.26Å
29	D	80.9	Confident	80.1	Confident	118 Å²	118	98 Å²	98	63%	0.631	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	114	177	-73.3	-35.1	0	0	0	109.2	V20 T22 R27	V20-D29 HydrophobicContact CG1-CB 3.81Å; T22-D29 VanDerWaalsContact CG2-OD1 3.3Å; T22-D29 WeakPolarHBondContact CG2-OD1 3.43Å; R27-D29 PolarHBondContact O-N 2.99Å
30	E	82	Confident	80	Confident	97 Å²	97	101.7 Å²	101.7	45%	0.453	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	142.2	176.4	-166	167.2	-164.7	0	0	110.2	V20 F21 C23 D28	V20-E30 WeakPolarHBondContact CA-O 3.33Å; F21-E30 VanDerWaalsContact CD1-O 3.3Å; F21-E30 WeakPolarHBondContact CD1-O 3.41Å; F21-E30 HydrophobicContact CD2-CB 4.4Å; F21-E30 HydrophobicContact CE1-CB 4.14Å; F21-E30 HydrophobicContact CE1-CG 4.2Å; F21-E30 WeakPolarHBondContact CE1-O 3.44Å; F21-E30 HydrophobicContact CE2-CB 3.93Å; F21-E30 HydrophobicContact CE2-CG 4.15Å; F21-E30 HydrophobicContact CZ-CB 3.77Å; F21-E30 HydrophobicContact CZ-CG 3.65Å; F21-E30 PolarHBondContact N-O 3.42Å; F21-E30 PolarHBondContact O-N 3.45Å; C23-E30 PolarHBondContact SG-OE2 2.92Å; D28-E30 PolarHBondContact O-N 3.26Å
31	W	78.4	Confident	79.9	Confident	199 Å²	199	98.3 Å²	98.3	75%	0.754	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	126	-179.2	36	-81.8	0	0	0	109.5	G19	G19-W31 WeakPolarHBondContact O-CA 3.39Å
32	A	77.9	Confident	80	Confident	41 Å²	41	100.9 Å²	100.9	34%	0.339	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	139.6	171.6	0	0	0	0	0	108.1	S18 G19 F21	S18-A32 VanDerWaalsContact CA-O 3.27Å; S18-A32 WeakPolarHBondContact CA-O 3.35Å; S18-A32 PolarHBondContact OG-O 2.62Å; G19-A32 PolarHBondContact N-O 3.02Å; G19-A32 PolarHBondContact O-N 3.44Å; F21-A32 HydrophobicContact CD1-CB 4.02Å; F21-A32 HydrophobicContact CE1-CB 3.34Å; F21-A32 HydrophobicContact CZ-CB 4.18Å
33	E	79.6	Confident	79.9	Confident	109 Å²	109	102.8 Å²	102.8	51%	0.509	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.5	175.3	-170.2	172.3	173.6	0	0	109.4	L16 F17	L16-E33 HydrophobicContact CB-CG 4.01Å; L16-E33 VanDerWaalsContact CB-OE1 3.26Å; L16-E33 WeakPolarHBondContact CB-OE1 3.28Å; L16-E33 HydrophobicContact CD1-CG 4.44Å; L16-E33 VanDerWaalsContact CD2-OE1 3.24Å; L16-E33 WeakPolarHBondContact CD2-OE1 2.8Å; F17-E33 WeakPolarHBondContact O-CA 3.12Å
34	V	81.7	Confident	80.1	Confident	69 Å²	69	104.7 Å²	104.7	42%	0.418	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	110.7	171	-176.3	0	0	0	0	107.3	L16 F17	L16-V34 WeakPolarHBondContact CA-O 3.42Å; F17-V34 HydrophobicContact CB-CB 4.47Å; F17-V34 PolarHBondContact N-O 2.98Å; F17-V34 PolarHBondContact O-N 3.25Å
35	E	81.4	Confident	80.2	Confident	131 Å²	131	104.3 Å²	104.3	61%	0.612	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	132	177	-171.7	-177.8	176.2	0	0	110.3
36	V	81.2	Confident	80.4	Confident	7 Å²	7	101.9 Å²	101.9	4%	0.042	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	123.1	170.6	-176.4	0	0	0	0	108.6	S15 K38 W40 I41 V47	S15-V36 PolarHBondContact O-N 3.35Å; V36-K38 PolarHBondContact O-N 2.93Å; V36-K38 VanDerWaalsContact O-N 3.14Å; V36-W40 HydrophobicContact CG1-CE3 4.47Å; V36-I41 HydrophobicContact CB-CD1 4.19Å; V36-I41 HydrophobicContact CB-CG1 4.49Å; V36-I41 HydrophobicContact CG1-CD1 4.2Å; V36-I41 HydrophobicContact CG1-CG1 3.96Å; V36-V47 HydrophobicContact CG1-CG1 4.37Å; V36-V47 HydrophobicContact CG1-CG2 3.91Å; V36-V47 HydrophobicContact CG2-CB 4.36Å; V36-V47 HydrophobicContact CG2-CG1 3.77Å; V36-V47 HydrophobicContact CG2-CG2 4.14Å
37	P	79.6	Confident	80.5	Confident	44 Å²	44	98.3 Å²	98.3	29%	0.286	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-53.7	123.7	177.2	-27.4	34.7	0	0	0	111.9	K39 W40	P37-K39 HydrophobicContact CB-CG 3.89Å; P37-K39 PolarHBondContact O-N 2.98Å; P37-W40 HydrophobicContact CB-CD2 4.18Å; P37-W40 HydrophobicContact CB-CE3 4.22Å; P37-W40 HydrophobicContact CB-CZ3 4.49Å; P37-W40 HydrophobicContact CG-CD2 4.26Å; P37-W40 HydrophobicContact CG-CE3 3.86Å; P37-W40 HydrophobicContact CG-CH2 3.94Å; P37-W40 HydrophobicContact CG-CZ2 4.41Å; P37-W40 HydrophobicContact CG-CZ3 3.69Å; P37-W40 PolarHBondContact O-N 3.35Å
38	K	77.9	Confident	80.9	Confident	80 Å²	80	96.6 Å²	96.6	35%	0.348	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-50.3	-30.7	-179.8	-174.3	-174.5	-179.5	-168.2	0	114.8	K10 D11 V36 W40 I41	K10-K38 WeakPolarHBondContact O-CE 3.43Å; D11-K38 IonicContact OD1-NZ 2.61Å; D11-K38 PolarHBondContact OD1-NZ 3.05Å; V36-K38 PolarHBondContact O-N 2.93Å; V36-K38 VanDerWaalsContact O-N 3.14Å; K38-W40 PolarHBondContact O-N 2.92Å; K38-I41 PolarHBondContact O-N 3.48Å
39	K	78.9	Confident	80.9	Confident	105 Å²	105	97 Å²	97	46%	0.457	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-60.5	-24.6	176.4	56.9	171.7	177.4	171.7	0	113.5	P37 E93	P37-K39 HydrophobicContact CB-CG 3.89Å; P37-K39 PolarHBondContact O-N 2.98Å; K39-E93 IonicContact NZ-OE1 3.3Å; K39-E93 PolarHBondContact NZ-OE1 3.45Å; K39-E93 IonicContact NZ-OE2 2.77Å; K39-E93 PolarHBondContact NZ-OE2 3.32Å
40	W	79.3	Confident	80.8	Confident	104 Å²	104	99.3 Å²	99.3	39%	0.394	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-92.2	-12	179.3	-59.9	-21.7	0	0	0	113.1	V36 P37 K38 T45 F94	V36-W40 HydrophobicContact CG1-CE3 4.47Å; P37-W40 HydrophobicContact CB-CD2 4.18Å; P37-W40 HydrophobicContact CB-CE3 4.22Å; P37-W40 HydrophobicContact CB-CZ3 4.49Å; P37-W40 HydrophobicContact CG-CD2 4.26Å; P37-W40 HydrophobicContact CG-CE3 3.86Å; P37-W40 HydrophobicContact CG-CH2 3.94Å; P37-W40 HydrophobicContact CG-CZ2 4.41Å; P37-W40 HydrophobicContact CG-CZ3 3.69Å; P37-W40 PolarHBondContact O-N 3.35Å; K38-W40 PolarHBondContact O-N 2.92Å; W40-T45 WeakPolarHBondContact O-CG2 3.24Å; W40-F94 HydrophobicContact CH2-CD1 4.39Å; W40-F94 AromaticContact CH2-CE1 3.4Å; W40-F94 HydrophobicContact CH2-CE1 3.4Å; W40-F94 HydrophobicContact CH2-CE2 4.06Å; W40-F94 AromaticContact CH2-CZ 3.19Å; W40-F94 HydrophobicContact CH2-CZ 3.19Å; W40-F94 HydrophobicContact CZ2-CE1 4.33Å; W40-F94 HydrophobicContact CZ2-CE2 4.34Å; W40-F94 AromaticContact CZ2-CZ 3.89Å; W40-F94 HydrophobicContact CZ2-CZ 3.89Å; W40-F94 HydrophobicContact CZ3-CE1 4.11Å; W40-F94 AromaticContact CZ3-CZ 3.93Å; W40-F94 HydrophobicContact CZ3-CZ 3.93Å
41	I	81.4	Confident	80.5	Confident	34 Å²	34	100.9 Å²	100.9	17%	0.174	53%	0.531	C	S	.	.			trans	-90.3	116.8	-176.2	-57.2	172.9	0	0	0	110.2	V13 V36 K38	V13-I41 HydrophobicContact CG1-CG2 3.92Å; V36-I41 HydrophobicContact CB-CD1 4.19Å; V36-I41 HydrophobicContact CB-CG1 4.49Å; V36-I41 HydrophobicContact CG1-CD1 4.2Å; V36-I41 HydrophobicContact CG1-CG1 3.96Å; K38-I41 PolarHBondContact O-N 3.48Å
42	Q	83.2	Confident	80.2	Confident	141 Å²	141	95 Å²	95	66%	0.659	51%	0.513	S	S	*	.			trans	-130.7	166.9	169.7	-58.3	-173.9	4.3	0	0	110.7	G44 T45	Q42-G44 PolarHBondContact O-N 3.28Å; Q42-T45 WeakPolarHBondContact CA-OG1 3.49Å; Q42-T45 PolarHBondContact N-OG1 2.93Å; Q42-T45 VanDerWaalsContact O-CB 3.24Å; Q42-T45 WeakPolarHBondContact O-CB 3.48Å; Q42-T45 PolarHBondContact O-N 3.5Å; Q42-T45 PolarHBondContact O-OG1 3.46Å
43	S	81	Confident	80.1	Confident	133 Å²	133	95.2 Å²	95.2	93%	0.93	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	125.1	173.4	-63.3	0	0	0	0	111
44	G	82.2	Confident	80.4	Confident	86 Å²	86	93.2 Å²	93.2	89%	0.887	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	8.4	-177.3	0	0	0	0	0	115.3	Q42	Q42-G44 PolarHBondContact O-N 3.28Å
45	T	83.7	Confident	80.7	Confident	64 Å²	64	90 Å²	90	39%	0.393	49%	0.493	S	S	.	.			trans	-69.4	130	173.2	-58.5	0	0	0	0	110.6	W40 Q42 V47	W40-T45 WeakPolarHBondContact O-CG2 3.24Å; Q42-T45 WeakPolarHBondContact CA-OG1 3.49Å; Q42-T45 PolarHBondContact N-OG1 2.93Å; Q42-T45 VanDerWaalsContact O-CB 3.24Å; Q42-T45 WeakPolarHBondContact O-CB 3.48Å; Q42-T45 PolarHBondContact O-N 3.5Å; Q42-T45 PolarHBondContact O-OG1 3.46Å; T45-V47 HydrophobicContact CG2-CG2 4.21Å
46	L	84.4	Confident	81	Confident	141 Å²	141	88 Å²	88	74%	0.738	49%	0.493	S	S	*	.			trans	-105.4	133.1	167.6	179.7	64.3	0	0	0	108.2	E48	L46-E48 HydrophobicContact CG-CG 4.42Å
47	V	82.2	Confident	81.3	Confident	56 Å²	56	94.7 Å²	94.7	34%	0.339	52%	0.522	S	S	.	.			trans	-112.8	125.2	176.5	-175.9	0	0	0	0	108.2	V36 T45	V36-V47 HydrophobicContact CG1-CG1 4.37Å; V36-V47 HydrophobicContact CG1-CG2 3.91Å; V36-V47 HydrophobicContact CG2-CB 4.36Å; V36-V47 HydrophobicContact CG2-CG1 3.77Å; V36-V47 HydrophobicContact CG2-CG2 4.14Å; T45-V47 HydrophobicContact CG2-CG2 4.21Å
48	E	82.3	Confident	81.9	Confident	165 Å²	165	94.9 Å²	94.9	77%	0.771	52%	0.519	S	S	*	.			trans	-110.4	132.6	174.6	-63.8	-176.9	165.4	0	0	108.6	L46	L46-E48 HydrophobicContact CG-CG 4.42Å
49	H	80.7	Confident	82.6	Confident	113 Å²	113	97.7 Å²	97.7	52%	0.523	54%	0.537	S	S	.	.			trans	-110.3	125.2	176.4	-69.2	-85.2	0	0	0	108.8
50	E	77.3	Confident	83.2	Confident	166 Å²	166	94.9 Å²	94.9	78%	0.776	53%	0.531	S	S	*	.			trans	-113.3	135.9	172.1	-175.2	169.8	-160.2	0	0	109.7	L52	E50-L52 HydrophobicContact CG-CD2 4.41Å; E50-L52 PolarHBondContact O-N 2.89Å
51	V	77.4	Confident	83.8	Confident	131 Å²	131	93.6 Å²	93.6	79%	0.794	53%	0.531	S	S	*	.			trans	-80.4	110.2	173.2	-179.6	0	0	0	0	107.6	G53	V51-G53 PolarHBondContact O-N 2.91Å
52	L	71.2	Confident	84.3	Confident	75 Å²	75	97.1 Å²	97.1	39%	0.393	55%	0.55	S	S	.	*			trans	-78.9	67.8	179.2	-63.1	177.5	0	0	0	111.9	E50 A85 N87	E50-L52 HydrophobicContact CG-CD2 4.41Å; E50-L52 PolarHBondContact O-N 2.89Å; L52-A85 HydrophobicContact CB-CB 3.49Å; L52-A85 VanDerWaalsContact CB-CB 3.49Å; L52-A85 HydrophobicContact CD1-CB 4.08Å; L52-A85 HydrophobicContact CG-CB 4.44Å; L52-N87 WeakPolarHBondContact CD1-OD1 3.45Å
53	G	76.1	Confident	84.8	Confident	45 Å²	45	93.2 Å²	93.2	46%	0.464	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	-152.6	164.5	0	0	0	0	0	116	V51	V51-G53 PolarHBondContact O-N 2.91Å
54	D	84.6	Confident	85.3	Confident	68 Å²	68	86.9 Å²	86.9	36%	0.364	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	24.2	-168.4	61.8	-16.2	0	0	0	116.7	S56 K57 K72	D54-S56 PolarHBondContact O-N 2.96Å; D54-S56 VanDerWaalsContact O-N 3.14Å; D54-K57 HydrophobicContact CB-CD 3.7Å; D54-K57 HydrophobicContact CB-CG 4.01Å; D54-K57 VanDerWaalsContact CB-NZ 3.28Å; D54-K57 WeakPolarHBondContact O-CB 3.3Å; D54-K57 PolarHBondContact O-N 3.44Å; D54-K57 IonicContact OD2-NZ 2.77Å; D54-K57 PolarHBondContact OD2-NZ 2.77Å; D54-K72 IonicContact OD1-NZ 2.62Å; D54-K72 PolarHBondContact OD1-NZ 3.32Å
55	C	89.8	Confident	85.6	Confident	2 Å²	2	88.3 Å²	88.3	1%	0.014	48%	0.476	C	S	.	.	G	3₁₀ helix	trans	-55	-37.9	178.3	-68.8	0	0	0	0	110.8	K57 H58 K72 C74 C83 A85	C55-K57 PolarHBondContact O-N 3.49Å; C55-H58 PolarHBondContact O-CD2 2.61Å; C55-H58 PolarHBondContact O-N 3.32Å; C55-K72 WeakPolarHBondContact SG-CE 3.44Å; C55-K72 PolarHBondContact SG-NZ 3.39Å; C55-K72 VanDerWaalsContact SG-NZ 3.43Å; C55-C74 VanDerWaalsContact CA-SG 3.57Å; C55-C74 HydrophobicContact CB-CB 3.98Å; C55-C74 WeakPolarHBondContact CB-SG 3.31Å; C55-C74 VanDerWaalsContact SG-CA 3.5Å; C55-C74 WeakPolarHBondContact SG-CB 3.34Å; C55-C74 CovalentContact SG-SG 2.03Å; C55-C74 PolarHBondContact SG-SG 2.87Å; C55-C83 CarbonylContact C-O 3.43Å; C55-C83 WeakPolarHBondContact O-CB 3.37Å; C55-C83 PolarHBondContact O-SG 3.46Å; C55-A85 WeakPolarHBondContact SG-CA 3.35Å; C55-A85 PolarHBondContact SG-N 2.78Å; C55-A85 VanDerWaalsContact SG-N 3.4Å
56	S	86.4	Confident	85.9	Confident	87 Å²	87	91.6 Å²	91.6	61%	0.608	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-60	-9.2	178.6	56.3	0	0	0	0	115.3	D54 C83	D54-S56 PolarHBondContact O-N 2.96Å; D54-S56 VanDerWaalsContact O-N 3.14Å; S56-C83 WeakPolarHBondContact CA-O 3.41Å; S56-C83 PolarHBondContact N-O 3.17Å
57	K	88.7	Confident	86.1	Confident	149 Å²	149	85.9 Å²	85.9	65%	0.648	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-81.1	-16.4	173.2	-61.2	-176.2	-165.6	151.4	0	113.2	D54 C55	D54-K57 HydrophobicContact CB-CD 3.7Å; D54-K57 HydrophobicContact CB-CG 4.01Å; D54-K57 VanDerWaalsContact CB-NZ 3.28Å; D54-K57 WeakPolarHBondContact O-CB 3.3Å; D54-K57 PolarHBondContact O-N 3.44Å; D54-K57 IonicContact OD2-NZ 2.77Å; D54-K57 PolarHBondContact OD2-NZ 2.77Å; C55-K57 PolarHBondContact O-N 3.49Å
58	H	92	Very high	86.2	Confident	47 Å²	47	90.1 Å²	90.1	22%	0.218	48%	0.478	C	S	.	.			trans	-91.1	118.2	-177.7	-60.3	-69.3	0	0	0	110.1	C55 T63 C64 A67 C83	C55-H58 PolarHBondContact O-CD2 2.61Å; C55-H58 PolarHBondContact O-N 3.32Å; H58-T63 PolarHBondContact ND1-O 3.44Å; H58-C64 HydrophobicContact CB-CB 4.15Å; H58-A67 VanDerWaalsContact CD2-CB 3.5Å; H58-A67 WeakPolarHBondContact CD2-CB 2.87Å; H58-A67 WeakPolarHBondContact NE2-CB 3.3Å; H58-C83 HydrophobicContact CB-CB 4.16Å; H58-C83 WeakPolarHBondContact O-CB 3.22Å
59	N	91	Very high	86.2	Confident	139 Å²	139	85.5 Å²	85.5	74%	0.743	46%	0.461	S	S	*	.			trans	-105.7	16.5	-174.2	-64.2	-10	0	0	0	112.8
60	S	91.7	Very high	86.2	Confident	46 Å²	46	86.6 Å²	86.6	32%	0.322	48%	0.478	S	S	.	.	S	Bend	trans	-145.6	151	174.1	72.5	0	0	0	0	110.8	N62 T63 C64	S60-N62 PolarHBondContact O-N 3.24Å; S60-T63 PolarHBondContact N-OG1 2.99Å; S60-T63 PolarHBondContact O-N 3.4Å; S60-T63 PolarHBondContact O-OG1 3.24Å; S60-T63 WeakPolarHBondContact OG-CG2 3.5Å; S60-T63 PolarHBondContact OG-N 2.9Å; S60-T63 PolarHBondContact OG-OG1 2.87Å; S60-C64 WeakPolarHBondContact O-CB 3.36Å; S60-C64 PolarHBondContact O-N 3.27Å
61	I	91.7	Very high	86.4	Confident	78 Å²	78	86.2 Å²	86.2	40%	0.4	48%	0.481	S	S	.	.	H	α-helix	trans	-49.5	-53.5	178.3	-173.5	168	0	0	0	112.2	T63 C64 E65 W76	I61-T63 PolarHBondContact O-N 2.98Å; I61-C64 WeakPolarHBondContact O-CB 3.35Å; I61-C64 PolarHBondContact O-N 2.88Å; I61-C64 VanDerWaalsContact O-N 3.14Å; I61-E65 HydrophobicContact CG1-CG 4.36Å; I61-E65 WeakPolarHBondContact O-CG 3.5Å; I61-E65 PolarHBondContact O-N 3.48Å; I61-W76 HydrophobicContact CB-CD2 4.2Å; I61-W76 HydrophobicContact CB-CG 3.96Å; I61-W76 HydrophobicContact CG1-CB 4.14Å; I61-W76 HydrophobicContact CG1-CG 4.01Å
62	N	93	Very high	86.7	Confident	108 Å²	108	81.5 Å²	81.5	58%	0.578	45%	0.45	S	S	*	.	H	α-helix	trans	-59.1	-46.6	-179.1	-60	1.2	0	0	0	111.8	S60 C64 E65 D66	S60-N62 PolarHBondContact O-N 3.24Å; N62-C64 VanDerWaalsContact C-N 3.27Å; N62-C64 PolarHBondContact O-N 3.3Å; N62-E65 PolarHBondContact O-N 3.06Å; N62-D66 VanDerWaalsContact O-CB 3.28Å; N62-D66 WeakPolarHBondContact O-CB 3.48Å; N62-D66 PolarHBondContact O-N 3.46Å
63	T	93	Very high	87.5	Confident	59 Å²	59	79.2 Å²	79.2	36%	0.362	44%	0.439	S	S	.	.	H	α-helix	trans	-69	-28.5	-178.7	60.7	0	0	0	0	112.7	H58 S60 I61 A67	H58-T63 PolarHBondContact ND1-O 3.44Å; S60-T63 PolarHBondContact N-OG1 2.99Å; S60-T63 PolarHBondContact O-N 3.4Å; S60-T63 PolarHBondContact O-OG1 3.24Å; S60-T63 WeakPolarHBondContact OG-CG2 3.5Å; S60-T63 PolarHBondContact OG-N 2.9Å; S60-T63 PolarHBondContact OG-OG1 2.87Å; I61-T63 PolarHBondContact O-N 2.98Å; T63-A67 WeakPolarHBondContact O-CB 3.5Å; T63-A67 PolarHBondContact O-N 3.32Å
64	C	92.6	Very high	88.1	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	42%	0.42	C	S	.	.	H	α-helix	trans	-73	-47.6	175.8	-177.6	0	0	0	0	111.6	H58 S60 I61 N62 A67 C74 W76 C83	H58-C64 HydrophobicContact CB-CB 4.15Å; S60-C64 WeakPolarHBondContact O-CB 3.36Å; S60-C64 PolarHBondContact O-N 3.27Å; I61-C64 WeakPolarHBondContact O-CB 3.35Å; I61-C64 PolarHBondContact O-N 2.88Å; I61-C64 VanDerWaalsContact O-N 3.14Å; N62-C64 VanDerWaalsContact C-N 3.27Å; N62-C64 PolarHBondContact O-N 3.3Å; C64-A67 WeakPolarHBondContact O-CB 3.3Å; C64-A67 PolarHBondContact O-N 2.95Å; C64-C74 VanDerWaalsContact O-CB 3.25Å; C64-C74 WeakPolarHBondContact O-CB 3.37Å; C64-W76 HydrophobicContact CB-CB 4.32Å; C64-W76 HydrophobicContact CB-CE3 3.74Å; C64-W76 PolarHBondContact SG-N 3.14Å; C64-C83 VanDerWaalsContact CA-SG 3.53Å; C64-C83 HydrophobicContact CB-CB 3.66Å; C64-C83 WeakPolarHBondContact CB-SG 3.26Å; C64-C83 WeakPolarHBondContact SG-CB 3.49Å; C64-C83 CovalentContact SG-SG 2.02Å; C64-C83 PolarHBondContact SG-SG 3.1Å
65	E	88.7	Confident	88.3	Confident	116 Å²	116	76.2 Å²	76.2	54%	0.542	41%	0.413	S	S	.	.	H	α-helix	trans	-68.5	-34.9	-179.2	-69	-178.3	170.5	0	0	112.3	I61 N62 A67	I61-E65 HydrophobicContact CG1-CG 4.36Å; I61-E65 WeakPolarHBondContact O-CG 3.5Å; I61-E65 PolarHBondContact O-N 3.48Å; N62-E65 PolarHBondContact O-N 3.06Å; E65-A67 VanDerWaalsContact C-N 3.25Å; E65-A67 PolarHBondContact O-N 3.47Å
66	D	89.2	Confident	88.4	Confident	133 Å²	133	78.1 Å²	78.1	71%	0.711	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-19.9	175.1	-72	-24.2	0	0	0	112.8	N62 K68	N62-D66 VanDerWaalsContact O-CB 3.28Å; N62-D66 WeakPolarHBondContact O-CB 3.48Å; N62-D66 PolarHBondContact O-N 3.46Å; D66-K68 PolarHBondContact O-N 3.29Å
67	A	87.6	Confident	88.5	Confident	21 Å²	21	74.2 Å²	74.2	17%	0.174	39%	0.392	C	S	.	.			trans	-80.3	47.9	-177.5	0	0	0	0	0	113.1	H58 T63 C64 E65 C74	H58-A67 VanDerWaalsContact CD2-CB 3.5Å; H58-A67 WeakPolarHBondContact CD2-CB 2.87Å; H58-A67 WeakPolarHBondContact NE2-CB 3.3Å; T63-A67 WeakPolarHBondContact O-CB 3.5Å; T63-A67 PolarHBondContact O-N 3.32Å; C64-A67 WeakPolarHBondContact O-CB 3.3Å; C64-A67 PolarHBondContact O-N 2.95Å; E65-A67 VanDerWaalsContact C-N 3.25Å; E65-A67 PolarHBondContact O-N 3.47Å; A67-C74 HydrophobicContact CB-CB 4.49Å; A67-C74 PolarHBondContact O-SG 2.91Å; A67-C74 VanDerWaalsContact O-SG 3.36Å
68	K	84.5	Confident	88.4	Confident	144 Å²	144	75 Å²	75	63%	0.626	40%	0.398	S	S	*	.			trans	-96.5	128.6	177.7	-170	169.8	-174.9	170.1	0	111.2	D66	D66-K68 PolarHBondContact O-N 3.29Å
69	T	83.8	Confident	88.1	Confident	68 Å²	68	81.1 Å²	81.1	42%	0.417	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-115.7	164.2	167	74.3	0	0	0	0	109.5	D71 K72	T69-D71 PolarHBondContact O-N 3.46Å; T69-D71 VanDerWaalsContact O-N 3.15Å; T69-K72 PolarHBondContact N-O 3.28Å; T69-K72 CarbonylContact O-C 3.56Å; T69-K72 PolarHBondContact O-N 3.02Å; T69-K72 VanDerWaalsContact O-N 3.17Å; T69-K72 WeakPolarHBondContact OG1-CB 3.31Å; T69-K72 PolarHBondContact OG1-N 2.99Å
70	P	79.9	Confident	87.8	Confident	137 Å²	137	77.1 Å²	77.1	89%	0.89	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-31	178.2	-27.9	36.6	0	0	0	114.1
71	D	82.3	Confident	87.6	Confident	157 Å²	157	80.4 Å²	80.4	84%	0.84	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-1.3	-176.5	-51.6	-50.6	0	0	0	113	T69	T69-D71 PolarHBondContact O-N 3.46Å; T69-D71 VanDerWaalsContact O-N 3.15Å
72	K	83.9	Confident	87.6	Confident	33 Å²	33	81.2 Å²	81.2	14%	0.143	43%	0.426	C	S	.	.	B	Isolated β-bridge	trans	-152.8	123	-171	-177.6	-173.7	159.8	-171.2	0	112.4	D54 C55 T69 C74	D54-K72 IonicContact OD1-NZ 2.62Å; D54-K72 PolarHBondContact OD1-NZ 3.32Å; C55-K72 WeakPolarHBondContact SG-CE 3.44Å; C55-K72 PolarHBondContact SG-NZ 3.39Å; C55-K72 VanDerWaalsContact SG-NZ 3.43Å; T69-K72 PolarHBondContact N-O 3.28Å; T69-K72 CarbonylContact O-C 3.56Å; T69-K72 PolarHBondContact O-N 3.02Å; T69-K72 VanDerWaalsContact O-N 3.17Å; T69-K72 WeakPolarHBondContact OG1-CB 3.31Å; T69-K72 PolarHBondContact OG1-N 2.99Å; K72-C74 VanDerWaalsContact CE-SG 3.53Å
73	T	87.1	Confident	87.4	Confident	27 Å²	27	76.2 Å²	76.2	17%	0.166	40%	0.399	C	S	.	.			trans	-104.1	130.8	170.5	-54.8	0	0	0	0	109.5	A85 S86 D88	T73-A85 WeakPolarHBondContact O-CA 3.35Å; T73-S86 WeakPolarHBondContact O-CB 3.24Å; T73-S86 PolarHBondContact O-N 3.46Å; T73-D88 WeakPolarHBondContact CB-OD2 3.28Å; T73-D88 PolarHBondContact OG1-OD2 2.83Å
74	C	88.9	Confident	87.2	Confident	9 Å²	9	75 Å²	75	6%	0.061	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	147.9	170.1	-67.3	0	0	0	0	110.5	C55 C64 A67 K72 S84	C55-C74 VanDerWaalsContact CA-SG 3.57Å; C55-C74 HydrophobicContact CB-CB 3.98Å; C55-C74 WeakPolarHBondContact CB-SG 3.31Å; C55-C74 VanDerWaalsContact SG-CA 3.5Å; C55-C74 WeakPolarHBondContact SG-CB 3.34Å; C55-C74 CovalentContact SG-SG 2.03Å; C55-C74 PolarHBondContact SG-SG 2.87Å; C64-C74 VanDerWaalsContact O-CB 3.25Å; C64-C74 WeakPolarHBondContact O-CB 3.37Å; A67-C74 HydrophobicContact CB-CB 4.49Å; A67-C74 PolarHBondContact O-SG 2.91Å; A67-C74 VanDerWaalsContact O-SG 3.36Å; K72-C74 VanDerWaalsContact CE-SG 3.53Å; C74-S84 CarbonylContact C-O 3.54Å; C74-S84 WeakPolarHBondContact CA-O 3.44Å
75	I	89.5	Confident	86.9	Confident	41 Å²	41	75.4 Å²	75.4	21%	0.21	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	131.8	-177.4	-63.9	-178.4	0	0	0	108.9	S84 S86 V101	I75-S84 PolarHBondContact N-O 3.4Å; I75-S84 PolarHBondContact O-N 3.29Å; I75-S86 VanDerWaalsContact CD1-CB 3.45Å; I75-S86 WeakPolarHBondContact CD1-OG 3.44Å; I75-V101 HydrophobicContact CD1-CG2 4.04Å; I75-V101 HydrophobicContact CG2-CG2 3.38Å
76	W	91.3	Very high	86.6	Confident	41 Å²	41	71.3 Å²	71.3	16%	0.155	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	132.3	176.8	-174.8	-103.8	0	0	0	111.7	I61 C64 D81 C83	I61-W76 HydrophobicContact CB-CD2 4.2Å; I61-W76 HydrophobicContact CB-CG 3.96Å; I61-W76 HydrophobicContact CG1-CB 4.14Å; I61-W76 HydrophobicContact CG1-CG 4.01Å; C64-W76 HydrophobicContact CB-CB 4.32Å; C64-W76 HydrophobicContact CB-CE3 3.74Å; C64-W76 PolarHBondContact SG-N 3.14Å; W76-D81 HydrophobicContact CH2-CB 4.46Å; W76-D81 WeakPolarHBondContact CH2-O 3.47Å; W76-D81 HydrophobicContact CZ2-CB 4.15Å; W76-C83 HydrophobicContact CE3-CB 3.91Å; W76-C83 HydrophobicContact CZ3-CB 4.1Å
77	C	87.8	Confident	85.6	Confident	5 Å²	5	69 Å²	69	3%	0.034	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	96.9	176.2	-56.3	0	0	0	0	110.8	K79 S80 D81 I82 C99	C77-K79 VanDerWaalsContact C-N 3.27Å; C77-K79 PolarHBondContact O-N 3.29Å; C77-S80 VanDerWaalsContact CB-OG 3.3Å; C77-S80 WeakPolarHBondContact CB-OG 3.3Å; C77-S80 PolarHBondContact O-N 3.19Å; C77-S80 VanDerWaalsContact O-N 3.16Å; C77-D81 PolarHBondContact O-N 2.58Å; C77-I82 VanDerWaalsContact CB-O 3.28Å; C77-I82 WeakPolarHBondContact CB-O 3.49Å; C77-I82 PolarHBondContact N-O 2.99Å; C77-C99 WeakPolarHBondContact CA-SG 3.48Å; C77-C99 HydrophobicContact CB-CB 3.87Å; C77-C99 WeakPolarHBondContact CB-SG 3.49Å; C77-C99 WeakPolarHBondContact SG-CB 3.45Å; C77-C99 CovalentContact SG-SG 2.01Å; C77-C99 PolarHBondContact SG-SG 3Å
78	E	87.6	Confident	83.8	Confident	166 Å²	166	72.8 Å²	72.8	78%	0.776	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-33.3	-176.2	-170.3	179.4	-167.5	0	0	113.5	S80	E78-S80 VanDerWaalsContact C-N 3.29Å; E78-S80 PolarHBondContact O-N 3.36Å
79	K	85.4	Confident	82.4	Confident	175 Å²	175	74.5 Å²	74.5	76%	0.761	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-25.2	-179.5	-69.8	-175.8	-177.2	172.8	0	114	C77	C77-K79 VanDerWaalsContact C-N 3.27Å; C77-K79 PolarHBondContact O-N 3.29Å
80	S	84.2	Confident	80.6	Confident	56 Å²	56	78.9 Å²	78.9	39%	0.392	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-1.1	-175	59.6	0	0	0	0	113.3	C77 E78 I82	C77-S80 VanDerWaalsContact CB-OG 3.3Å; C77-S80 WeakPolarHBondContact CB-OG 3.3Å; C77-S80 PolarHBondContact O-N 3.19Å; C77-S80 VanDerWaalsContact O-N 3.16Å; E78-S80 VanDerWaalsContact C-N 3.29Å; E78-S80 PolarHBondContact O-N 3.36Å; S80-I82 WeakPolarHBondContact O-CG1 3.42Å; S80-I82 PolarHBondContact O-N 3.32Å
81	D	88.6	Confident	78.9	Confident	115 Å²	115	77.3 Å²	77.3	62%	0.615	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	40	-175.2	-63.9	-45.7	0	0	0	113.5	W76 C77	W76-D81 HydrophobicContact CH2-CB 4.46Å; W76-D81 WeakPolarHBondContact CH2-O 3.47Å; W76-D81 HydrophobicContact CZ2-CB 4.15Å; C77-D81 PolarHBondContact O-N 2.58Å
82	I	90.1	Very high	77	Confident	95 Å²	95	78.9 Å²	78.9	49%	0.487	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	139.4	-177.6	-70.9	162.5	0	0	0	109.8	C77 S80	C77-I82 VanDerWaalsContact CB-O 3.28Å; C77-I82 WeakPolarHBondContact CB-O 3.49Å; C77-I82 PolarHBondContact N-O 2.99Å; S80-I82 WeakPolarHBondContact O-CG1 3.42Å; S80-I82 PolarHBondContact O-N 3.32Å
83	C	89.8	Confident	75.1	Confident	2 Å²	2	82.3 Å²	82.3	1%	0.014	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	122.4	169.1	-174.9	0	0	0	0	110.5	C55 S56 H58 C64 W76	C55-C83 CarbonylContact C-O 3.43Å; C55-C83 WeakPolarHBondContact O-CB 3.37Å; C55-C83 PolarHBondContact O-SG 3.46Å; S56-C83 WeakPolarHBondContact CA-O 3.41Å; S56-C83 PolarHBondContact N-O 3.17Å; H58-C83 HydrophobicContact CB-CB 4.16Å; H58-C83 WeakPolarHBondContact O-CB 3.22Å; C64-C83 VanDerWaalsContact CA-SG 3.53Å; C64-C83 HydrophobicContact CB-CB 3.66Å; C64-C83 WeakPolarHBondContact CB-SG 3.26Å; C64-C83 WeakPolarHBondContact SG-CB 3.49Å; C64-C83 CovalentContact SG-SG 2.02Å; C64-C83 PolarHBondContact SG-SG 3.1Å; W76-C83 HydrophobicContact CE3-CB 3.91Å; W76-C83 HydrophobicContact CZ3-CB 4.1Å
84	S	88.6	Confident	73.2	Confident	33 Å²	33	86 Å²	86	23%	0.231	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	154.3	178.7	179.1	0	0	0	0	110.8	C74 I75 I96	C74-S84 CarbonylContact C-O 3.54Å; C74-S84 WeakPolarHBondContact CA-O 3.44Å; I75-S84 PolarHBondContact N-O 3.4Å; I75-S84 PolarHBondContact O-N 3.29Å; S84-I96 VanDerWaalsContact OG-CD1 3.25Å; S84-I96 WeakPolarHBondContact OG-CD1 3.47Å
85	A	86.8	Confident	71.3	Confident	10 Å²	10	92 Å²	92	8%	0.083	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	141.1	162.2	0	0	0	0	0	109.5	L52 C55 T73	L52-A85 HydrophobicContact CB-CB 3.49Å; L52-A85 VanDerWaalsContact CB-CB 3.49Å; L52-A85 HydrophobicContact CD1-CB 4.08Å; L52-A85 HydrophobicContact CG-CB 4.44Å; C55-A85 WeakPolarHBondContact SG-CA 3.35Å; C55-A85 PolarHBondContact SG-N 2.78Å; C55-A85 VanDerWaalsContact SG-N 3.4Å; T73-A85 WeakPolarHBondContact O-CA 3.35Å
86	S	81.3	Confident	69.4	Low	29 Å²	29	94 Å²	94	20%	0.203	47%	0.469	C	S	.	.			trans	-72	131	160.2	-171	0	0	0	0	107.9	T73 I75 D88	T73-S86 WeakPolarHBondContact O-CB 3.24Å; T73-S86 PolarHBondContact O-N 3.46Å; I75-S86 VanDerWaalsContact CD1-CB 3.45Å; I75-S86 WeakPolarHBondContact CD1-OG 3.44Å; S86-D88 VanDerWaalsContact C-N 3.32Å; S86-D88 WeakPolarHBondContact CB-OD1 3.33Å; S86-D88 PolarHBondContact O-N 2.69Å; S86-D88 PolarHBondContact OG-OD1 3.16Å
87	N	68.5	Low	67.4	Low	85 Å²	85	99.4 Å²	99.4	46%	0.455	50%	0.5	S	S	.	.			trans	-84.1	89.1	161.9	-67.4	12.5	0	0	0	105.9	L52 E89	L52-N87 WeakPolarHBondContact CD1-OD1 3.45Å; N87-E89 PolarHBondContact O-N 3.14Å; N87-E89 VanDerWaalsContact O-N 3.11Å
88	D	51	Low	65.6	Low	101 Å²	101	100.9 Å²	100.9	54%	0.54	52%	0.516	S	S	.	.			trans	-68.4	102.5	178.7	-79	-19	0	0	0	110	T73 S86	T73-D88 WeakPolarHBondContact CB-OD2 3.28Å; T73-D88 PolarHBondContact OG1-OD2 2.83Å; S86-D88 VanDerWaalsContact C-N 3.32Å; S86-D88 WeakPolarHBondContact CB-OD1 3.33Å; S86-D88 PolarHBondContact O-N 2.69Å; S86-D88 PolarHBondContact OG-OD1 3.16Å
89	E	53.3	Low	64.4	Low	179 Å²	179	93.7 Å²	93.7	84%	0.836	48%	0.484	S	S	*	.	S	Bend	trans	-177.3	85.4	137.8	-95.7	-160.5	-178.1	0	0	107.6	N87 N91	N87-E89 PolarHBondContact O-N 3.14Å; N87-E89 VanDerWaalsContact O-N 3.11Å; E89-N91 PolarHBondContact O-N 2.87Å
90	D	46.8	Very low	62.8	Low	161 Å²	161	92 Å²	92	86%	0.861	48%	0.479	S	S	*	.			trans	36.6	17	159.5	-77.3	-30	0	0	0	120.7	H92	D90-H92 PolarHBondContact O-N 2.99Å
91	N	43.5	Very low	61.2	Low	104 Å²	104	93.4 Å²	93.4	56%	0.556	49%	0.485	S	S	*	.			trans	-91.5	93.6	173.7	-120.8	10.1	0	0	0	105.4	E89 E93 F94	E89-N91 PolarHBondContact O-N 2.87Å; N91-E93 PolarHBondContact O-N 3.2Å; N91-F94 HydrophobicContact CB-CD2 4.49Å; N91-F94 PolarHBondContact O-N 3.11Å; N91-F94 VanDerWaalsContact O-N 3.16Å
92	H	43.2	Very low	58.9	Low	189 Å²	189	95.5 Å²	95.5	88%	0.875	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.3	-1.7	164	-71.4	-21.8	0	0	0	114.9	D90	D90-H92 PolarHBondContact O-N 2.99Å
93	E	44.6	Very low	56.3	Low	105 Å²	105	95.1 Å²	95.1	49%	0.491	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-18.9	-178.1	-146.2	-178.2	-170	0	0	114.4	K39 N91 K95	K39-E93 IonicContact NZ-OE1 3.3Å; K39-E93 PolarHBondContact NZ-OE1 3.45Å; K39-E93 IonicContact NZ-OE2 2.77Å; K39-E93 PolarHBondContact NZ-OE2 3.32Å; N91-E93 PolarHBondContact O-N 3.2Å; E93-K95 PolarHBondContact O-N 3.33Å
94	F	46.4	Very low	53.5	Low	104 Å²	104	99.6 Å²	99.6	46%	0.456	53%	0.528	S	S	.	.			trans	-79	64.6	172.2	-79.5	-79.8	0	0	0	110.9	W40 N91 I96	W40-F94 HydrophobicContact CH2-CD1 4.39Å; W40-F94 AromaticContact CH2-CE1 3.4Å; W40-F94 HydrophobicContact CH2-CE1 3.4Å; W40-F94 HydrophobicContact CH2-CE2 4.06Å; W40-F94 AromaticContact CH2-CZ 3.19Å; W40-F94 HydrophobicContact CH2-CZ 3.19Å; W40-F94 HydrophobicContact CZ2-CE1 4.33Å; W40-F94 HydrophobicContact CZ2-CE2 4.34Å; W40-F94 AromaticContact CZ2-CZ 3.89Å; W40-F94 HydrophobicContact CZ2-CZ 3.89Å; W40-F94 HydrophobicContact CZ3-CE1 4.11Å; W40-F94 AromaticContact CZ3-CZ 3.93Å; W40-F94 HydrophobicContact CZ3-CZ 3.93Å; N91-F94 HydrophobicContact CB-CD2 4.49Å; N91-F94 PolarHBondContact O-N 3.11Å; N91-F94 VanDerWaalsContact O-N 3.16Å; F94-I96 VanDerWaalsContact C-N 3.32Å; F94-I96 PolarHBondContact O-N 3.02Å
95	K	48.3	Very low	50.6	Low	137 Å²	137	101.8 Å²	101.8	60%	0.596	54%	0.543	S	S	*	.			trans	-69.6	92.6	163.1	-172.3	177.9	-176.1	-178.5	0	106.8	E93 N97	E93-K95 PolarHBondContact O-N 3.33Å; K95-N97 PolarHBondContact O-N 3.2Å
96	I	50.3	Low	48.1	Very low	83 Å²	83	109.6 Å²	109.6	43%	0.426	58%	0.582	S	S	.	*			trans	-55	116.9	157	-61.2	173.7	0	0	0	104.2	S84 F94 G98 C99	S84-I96 VanDerWaalsContact OG-CD1 3.25Å; S84-I96 WeakPolarHBondContact OG-CD1 3.47Å; F94-I96 VanDerWaalsContact C-N 3.32Å; F94-I96 PolarHBondContact O-N 3.02Å; I96-G98 VanDerWaalsContact C-N 3.28Å; I96-G98 PolarHBondContact O-N 2.93Å; I96-C99 HydrophobicContact CB-CB 4.01Å; I96-C99 HydrophobicContact CG2-CB 4.27Å; I96-C99 PolarHBondContact O-N 3.02Å
97	N	48.6	Very low	45.6	Very low	154 Å²	154	113.4 Å²	113.4	82%	0.824	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	93.6	179.6	-84.1	-9.6	0	0	0	108.8	K95	K95-N97 PolarHBondContact O-N 3.2Å
98	G	50.6	Low	43.9	Very low	35 Å²	35	116.9 Å²	116.9	36%	0.361	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	134.2	-29.9	-177.2	0	0	0	0	0	114.4	I96	I96-G98 VanDerWaalsContact C-N 3.28Å; I96-G98 PolarHBondContact O-N 2.93Å
99	C	62	Low	43	Very low	15 Å²	15	116.4 Å²	116.4	10%	0.101	63%	0.632	C	S	.	*			trans	-109.3	71.7	-175.1	-141.7	0	0	0	0	109.7	C77 I96 V101	C77-C99 WeakPolarHBondContact CA-SG 3.48Å; C77-C99 HydrophobicContact CB-CB 3.87Å; C77-C99 WeakPolarHBondContact CB-SG 3.49Å; C77-C99 WeakPolarHBondContact SG-CB 3.45Å; C77-C99 CovalentContact SG-SG 2.01Å; C77-C99 PolarHBondContact SG-SG 3Å; I96-C99 HydrophobicContact CB-CB 4.01Å; I96-C99 HydrophobicContact CG2-CB 4.27Å; I96-C99 PolarHBondContact O-N 3.02Å; C99-V101 VanDerWaalsContact C-N 3.27Å; C99-V101 PolarHBondContact O-N 2.97Å; C99-V101 VanDerWaalsContact O-N 3.07Å
100	Q	53.4	Low	42	Very low	141 Å²	141	113.8 Å²	113.8	66%	0.659	63%	0.633	S	S	*	*			trans	-68.9	104.5	153.8	-88.1	-167.8	-6	0	0	104.6	E102	Q100-E102 PolarHBondContact O-N 3.47Å
101	V	49.6	Very low	41.4	Very low	85 Å²	85	113.8 Å²	113.8	52%	0.515	63%	0.632	S	S	.	*			trans	-63.4	94	151.9	-171.8	0	0	0	0	103.1	I75 C99 S103	I75-V101 HydrophobicContact CD1-CG2 4.04Å; I75-V101 HydrophobicContact CG2-CG2 3.38Å; C99-V101 VanDerWaalsContact C-N 3.27Å; C99-V101 PolarHBondContact O-N 2.97Å; C99-V101 VanDerWaalsContact O-N 3.07Å; V101-S103 PolarHBondContact O-N 3.01Å
102	E	40.4	Very low	40.8	Very low	159 Å²	159	117.4 Å²	117.4	74%	0.743	65%	0.645	S	S	*	*			trans	-62.4	86.8	153.3	-169.4	163.1	-159.7	0	0	103.1	Q100 S104	Q100-E102 PolarHBondContact O-N 3.47Å; E102-S104 PolarHBondContact O-N 3.42Å
103	S	35.5	Very low	40.1	Very low	87 Å²	87	113.9 Å²	113.9	61%	0.608	64%	0.639	S	S	*	*			trans	-53.4	94.9	156.7	139.7	0	0	0	0	101.8	V101 S105	V101-S103 PolarHBondContact O-N 3.01Å; S103-S105 PolarHBondContact O-N 3.07Å
104	S	31.9	Very low	39.3	Very low	95 Å²	95	114.8 Å²	114.8	66%	0.664	65%	0.652	S	S	*	*			trans	-63.7	79.7	163.5	-65.3	0	0	0	0	103.3	E102 I106	E102-S104 PolarHBondContact O-N 3.42Å; S104-I106 VanDerWaalsContact C-N 3.33Å; S104-I106 PolarHBondContact O-N 3.49Å
105	S	27.3	Very low	38.4	Very low	79 Å²	79	117 Å²	117	55%	0.552	67%	0.668	S	S	*	*			trans	-54.6	111.4	164.8	56.5	0	0	0	0	102.9	S103 V107	S103-S105 PolarHBondContact O-N 3.07Å; S105-V107 PolarHBondContact O-N 3.43Å
106	I	33.2	Very low	37.5	Very low	175 Å²	175	117.6 Å²	117.6	90%	0.897	68%	0.676	S	S	*	*			trans	-62.8	83.1	172.1	-50.1	167.1	0	0	0	104.6	S104	S104-I106 VanDerWaalsContact C-N 3.33Å; S104-I106 PolarHBondContact O-N 3.49Å
107	V	30.3	Very low	36.5	Very low	108 Å²	108	119.5 Å²	119.5	66%	0.655	69%	0.687	S	S	*	*			trans	-118	89.6	175.5	179.8	0	0	0	0	104.9	S105 A109	S105-V107 PolarHBondContact O-N 3.43Å; V107-A109 PolarHBondContact O-N 3.03Å
108	D	32.5	Very low	35.2	Very low	159 Å²	159	120.6 Å²	120.6	85%	0.85	69%	0.688	S	S	*	*			trans	37.2	72.8	148.6	-68.6	-36.5	0	0	0	116.5
109	A	31.8	Very low	34.1	Very low	91 Å²	91	130.1 Å²	130.1	75%	0.752	71%	0.712	S	S	*	*			trans	-113.5	87.1	145.6	0	0	0	0	0	107.7	V107 I111	V107-A109 PolarHBondContact O-N 3.03Å; A109-I111 PolarHBondContact O-N 3.26Å
110	S	31.7	Very low	32.4	Very low	123 Å²	123	137.4 Å²	137.4	86%	0.86	75%	0.745	S	S	*	*			trans	-41.2	93.2	163.4	165.3	0	0	0	0	111.7
111	I	34.7	Very low	31	Very low	162 Å²	162	137.2 Å²	137.2	83%	0.831	75%	0.754	S	S	*	*			trans	-141.4	125	149.1	-11	175.2	0	0	0	108	A109	A109-I111 PolarHBondContact O-N 3.26Å
112	E	29.9	Very low	30	Very low	179 Å²	179	139.8 Å²	139.8	84%	0.836	76%	0.763	S	S	*	*			trans	-54.6	146.1	-169.8	-166.9	170.4	175.6	0	0	114.1	T114	E112-T114 PolarHBondContact O-N 2.7Å
113	P	29.5	Very low	29.2	Very low	115 Å²	115	138.6 Å²	138.6	75%	0.747	77%	0.767	S	S	*	*			trans	-75.3	113.9	-169.7	-0.2	17	0	0	0	110.6	L115	P113-L115 VanDerWaalsContact C-N 3.26Å; P113-L115 PolarHBondContact O-N 2.67Å
114	T	26.8	Very low	28.7	Very low	125 Å²	125	137.6 Å²	137.6	77%	0.767	77%	0.77	S	S	*	*			trans	-80.1	85	163.9	-59.7	0	0	0	0	108.5	E112 I116	E112-T114 PolarHBondContact O-N 2.7Å; T114-I116 VanDerWaalsContact C-N 3.33Å; T114-I116 HydrophobicContact CG2-CD1 3.65Å; T114-I116 HydrophobicContact CG2-CG1 3.81Å; T114-I116 PolarHBondContact O-N 2.93Å
115	L	27.6	Very low	28.4	Very low	149 Å²	149	141 Å²	141	78%	0.78	78%	0.779	S	S	*	*			trans	-69.3	87.8	168.6	-157	168.9	0	0	0	108	P113 N117	P113-L115 VanDerWaalsContact C-N 3.26Å; P113-L115 PolarHBondContact O-N 2.67Å; L115-N117 HydrophobicContact CD2-CB 4.4Å
116	I	30.2	Very low	28.4	Very low	151 Å²	151	143.1 Å²	143.1	77%	0.774	79%	0.789	S	S	*	*			trans	-120.7	72.1	162.3	-54.3	168.8	0	0	0	107.1	T114	T114-I116 VanDerWaalsContact C-N 3.33Å; T114-I116 HydrophobicContact CG2-CD1 3.65Å; T114-I116 HydrophobicContact CG2-CG1 3.81Å; T114-I116 PolarHBondContact O-N 2.93Å
117	N	28.1	Very low	28	Very low	123 Å²	123	142.9 Å²	142.9	66%	0.658	78%	0.784	S	S	*	*			trans	-80	119.2	158.1	-160.1	-38.1	0	0	0	107.2	L115 R119	L115-N117 HydrophobicContact CD2-CB 4.4Å; N117-R119 PolarHBondContact O-N 2.75Å
118	Q	22.6	Very low	27.9	Very low	177 Å²	177	143 Å²	143	83%	0.827	79%	0.787	S	S	*	*			trans	12.3	103.9	157.3	-62.2	-179.9	-51.6	0	0	117.3
119	R	26.7	Very low	27.6	Very low	234 Å²	234	140.9 Å²	140.9	88%	0.883	78%	0.776	S	S	*	*			trans	-164.4	102.8	135.8	-149.2	175.9	-174.9	168.2	0.7	109.8	N117	N117-R119 PolarHBondContact O-N 2.75Å
120	E	27.6	Very low	27.3	Very low	168 Å²	168	145 Å²	145	79%	0.785	78%	0.784	S	S	*	*				173.3	119.6	119.7	-92.9	179.8	-178.6	0	0	111.3	I122	E120-I122 PolarHBondContact O-N 3.01Å
121	T	22.5	Very low	26.9	Very low	137 Å²	137	144.2 Å²	144.2	84%	0.84	77%	0.774	S	S	*	*			trans	-59.7	105	160.8	-57.1	0	0	0	0	110.1
122	I	30	Very low	26.6	Very low	140 Å²	140	144.1 Å²	144.1	72%	0.718	78%	0.776	S	S	*	*			trans	-140.6	97.4	153.4	-58.7	-176.2	0	0	0	109.3	E120	E120-I122 PolarHBondContact O-N 3.01Å
123	T	21.9	Very low	26.4	Very low	134 Å²	134	139.3 Å²	139.3	82%	0.822	77%	0.774	S	S	*	*			trans	14.3	115.6	134.4	-29	0	0	0	0	117.7
124	G	25.1	Very low	26.1	Very low	65 Å²	65	141.9 Å²	141.9	67%	0.67	78%	0.78	S	S	*	*			trans	144.7	85.2	156	0	0	0	0	0	116.9
125	I	27	Very low	25.9	Very low	168 Å²	168	141 Å²	141	86%	0.862	78%	0.779	S	S	*	*			trans	43.3	111	135.8	-47	164.8	0	0	0	117.2
126	T	27.2	Very low	25.8	Very low	122 Å²	122	143.7 Å²	143.7	75%	0.748	78%	0.784	S	S	*	*				-172.7	113.4	112.6	-62.6	0	0	0	0	109	P128	T126-P128 WeakPolarHBondContact O-CD 2.92Å
127	E	24.4	Very low	25.5	Very low	170 Å²	170	142.3 Å²	142.3	79%	0.794	78%	0.784	S	S	*	*			trans	-66.8	128.8	161.3	178.8	-176.6	161.6	0	0	109
128	P	28.5	Very low	25.4	Very low	112 Å²	112	142 Å²	142	73%	0.727	79%	0.786	S	S	*	*			trans	-122.6	117.3	132.4	31.2	-21.7	0	0	0	109.7	T126 L130	T126-P128 WeakPolarHBondContact O-CD 2.92Å; P128-L130 PolarHBondContact O-N 3.02Å
129	D	25.2	Very low	25.5	Very low	114 Å²	114	141.3 Å²	141.3	61%	0.61	78%	0.783	S	S	*	*			trans	-39	112.7	165.3	-171.6	5.1	0	0	0	112.5	T131	D129-T131 WeakPolarHBondContact OD1-CB 3.25Å; D129-T131 PolarHBondContact OD1-N 2.99Å; D129-T131 VanDerWaalsContact OD1-N 3.09Å; D129-T131 PolarHBondContact OD1-OG1 3Å
130	L	25.9	Very low	25.6	Very low	177 Å²	177	137 Å²	137	93%	0.927	78%	0.783	S	S	*	*			trans	-107	56.1	168.5	-156.3	93.8	0	0	0	108.7	P128	P128-L130 PolarHBondContact O-N 3.02Å
131	T	23.8	Very low	25.5	Very low	107 Å²	107	133.9 Å²	133.9	66%	0.656	79%	0.786	S	S	*	*			trans	-113.3	118.7	175.9	-43.5	0	0	0	0	111.7	D129	D129-T131 WeakPolarHBondContact OD1-CB 3.25Å; D129-T131 PolarHBondContact OD1-N 2.99Å; D129-T131 VanDerWaalsContact OD1-N 3.09Å; D129-T131 PolarHBondContact OD1-OG1 3Å
132	N	27.7	Very low	25.8	Very low	160 Å²	160	135.9 Å²	135.9	86%	0.856	79%	0.786	S	S	*	*			trans	89.6	102.3	167.9	119.9	69.9	0	0	0	117.1
133	G	25.6	Very low	25.6	Very low	77 Å²	77	133.3 Å²	133.3	79%	0.794	78%	0.78	S	S	*	*			trans	-156.4	17.7	161.1	0	0	0	0	0	112.3	S135	G133-S135 PolarHBondContact O-N 3.24Å
134	L	22.8	Very low	26.1	Very low	169 Å²	169	135 Å²	135	89%	0.885	78%	0.778	S	S	*	*			trans	-84.3	93.8	164.3	179.6	70.9	0	0	0	107.4
135	S	24.1	Very low	26.2	Very low	106 Å²	106	136.3 Å²	136.3	74%	0.741	78%	0.777	S	S	*	*			trans	179.2	86.4	150.8	-82.4	0	0	0	0	109.7	G133	G133-S135 PolarHBondContact O-N 3.24Å
136	K	26	Very low	26.4	Very low	206 Å²	206	135.2 Å²	135.2	90%	0.896	77%	0.773	S	S	*	*			trans	-130.5	80.3	152.5	-117.4	178.4	-176.4	175.2	0	109.1	T138	K136-T138 PolarHBondContact O-N 3.36Å
137	T	23	Very low	26.6	Very low	123 Å²	123	139.2 Å²	139.2	76%	0.755	78%	0.78	S	S	*	*			trans	-49.9	112.6	154.9	-57.2	0	0	0	0	109.5
138	T	26.1	Very low	27.2	Very low	116 Å²	116	136.7 Å²	136.7	71%	0.712	78%	0.776	S	S	*	*			trans	-149.8	89.8	153.9	-49.3	0	0	0	0	109.4	K136	K136-T138 PolarHBondContact O-N 3.36Å
139	Q	24.9	Very low	27.6	Very low	163 Å²	163	137.5 Å²	137.5	76%	0.762	78%	0.779	S	S	*	*			trans	32.9	105	131.2	-58.2	176.9	49.9	0	0	117
140	T	29.3	Very low	28.3	Very low	144 Å²	144	133.7 Å²	133.7	88%	0.883	77%	0.767	S	S	*	*			trans	-147.6	75	132.1	-57.5	0	0	0	0	106.7
141	A	25.1	Very low	29.1	Very low	102 Å²	102	130 Å²	130	84%	0.843	75%	0.752	S	S	*	*			trans	-123.5	70.9	166	0	0	0	0	0	106.8
142	E	27.9	Very low	30	Very low	179 Å²	179	130.1 Å²	130.1	84%	0.836	75%	0.752	S	S	*	*			trans	-133.9	134	160.9	-73.7	-173.8	164.4	0	0	103.4
143	S	25.5	Very low	31	Very low	85 Å²	85	129.8 Å²	129.8	59%	0.594	75%	0.746	S	S	*	*			cis	-176.4	177.5	16.3	154.4	0	0	0	0	105.5
144	H	32.4	Very low	32.2	Very low	171 Å²	171	130.7 Å²	130.7	79%	0.792	73%	0.732	S	S	*	*			trans	98.2	74	165.5	-52.2	-80.3	0	0	0	114.4
145	S	28.3	Very low	33.5	Very low	92 Å²	92	131.3 Å²	131.3	64%	0.643	72%	0.723	S	S	*	*				82.5	96.9	77.5	-160	0	0	0	0	113.9
146	N	30.7	Very low	35.1	Very low	145 Å²	145	133 Å²	133	78%	0.775	72%	0.719	S	S	*	*				45.9	90	124	-39.9	0	0	0	0	116.8
147	K	31.8	Very low	36.4	Very low	205 Å²	205	128 Å²	128	89%	0.891	70%	0.699	S	S	*	*			trans	-108	60.8	153.9	-164.1	170.5	178.2	161.2	0	110.6	T149	K147-T149 PolarHBondContact O-N 3.03Å
148	T	37.2	Very low	38.1	Very low	117 Å²	117	131.7 Å²	131.7	72%	0.718	70%	0.699	S	S	*	*			trans	-94.9	79.8	167.4	-52.7	0	0	0	0	108.5
149	T	37.1	Very low	40	Very low	130 Å²	130	131.9 Å²	131.9	80%	0.798	69%	0.692	S	S	*	*	S	Bend	trans	-144.5	7.1	164.6	-36.1	0	0	0	0	113	K147	K147-T149 PolarHBondContact O-N 3.03Å
150	G	39.8	Very low	42.1	Very low	33 Å²	33	127 Å²	127	34%	0.34	68%	0.676	S	S	.	*	S	Bend	trans	-101	-5.9	178.9	0	0	0	0	0	115.7	N154	G150-N154 PolarHBondContact O-ND2 3.48Å
151	T	41.9	Very low	44.2	Very low	101 Å²	101	126.6 Å²	126.6	62%	0.62	66%	0.662	S	S	*	*	H	α-helix	trans	-78.7	-27.9	-167.6	-45.9	0	0	0	0	113.2	R155	T151-R155 PolarHBondContact O-N 3.4Å
152	T	42.7	Very low	46.7	Very low	109 Å²	109	125 Å²	125	67%	0.669	64%	0.644	S	S	*	*	H	α-helix	trans	-72.7	-44.6	-179.7	-46.4	0	0	0	0	112	N154 R155 E156	T152-N154 VanDerWaalsContact C-N 3.34Å; T152-N154 PolarHBondContact O-N 3.06Å; T152-R155 PolarHBondContact O-N 3.41Å; T152-E156 PolarHBondContact O-N 3.47Å
153	E	48.8	Very low	49.1	Very low	153 Å²	153	119.3 Å²	119.3	72%	0.715	63%	0.625	S	S	*	*	H	α-helix	trans	-64.1	-38.5	179.2	-68.3	-172.8	156.8	0	0	112.1	R155 Q157	E153-R155 PolarHBondContact O-N 3.37Å; E153-Q157 WeakPolarHBondContact O-CB 2.97Å; E153-Q157 PolarHBondContact O-N 2.86Å
154	N	50	Low	52	Low	96 Å²	96	120.4 Å²	120.4	51%	0.513	62%	0.623	S	S	.	*	H	α-helix	trans	-68.6	-34	-178.8	-84.7	-49.8	0	0	0	113.5	G150 T152 R158	G150-N154 PolarHBondContact O-ND2 3.48Å; T152-N154 VanDerWaalsContact C-N 3.34Å; T152-N154 PolarHBondContact O-N 3.06Å; N154-R158 PolarHBondContact O-N 3.4Å
155	R	51.4	Low	54.7	Low	181 Å²	181	121.1 Å²	121.1	68%	0.683	62%	0.62	S	S	*	*	H	α-helix	trans	-71.2	-46.3	178.5	-169.3	174.9	175.5	144.6	0.3	111	T151 T152 E153 Q157 R158 E159	T151-R155 PolarHBondContact O-N 3.4Å; T152-R155 PolarHBondContact O-N 3.41Å; E153-R155 PolarHBondContact O-N 3.37Å; R155-Q157 VanDerWaalsContact C-N 3.27Å; R155-Q157 PolarHBondContact O-N 3.33Å; R155-R158 PolarHBondContact O-N 2.81Å; R155-E159 HydrophobicContact CG-CG 4.47Å; R155-E159 VanDerWaalsContact O-CG 3.28Å; R155-E159 WeakPolarHBondContact O-CG 3.35Å; R155-E159 PolarHBondContact O-N 2.89Å
156	E	57.5	Low	57.6	Low	142 Å²	142	121.5 Å²	121.5	66%	0.664	61%	0.614	S	S	*	*	H	α-helix	trans	-61.7	-36.1	175.3	-68.8	-170.5	156.1	0	0	112	T152 S160	T152-E156 PolarHBondContact O-N 3.47Å; E156-S160 WeakPolarHBondContact O-CB 3.27Å; E156-S160 PolarHBondContact O-N 3.44Å; E156-S160 PolarHBondContact O-OG 2.7Å
157	Q	53.6	Low	60.5	Low	102 Å²	102	118.7 Å²	118.7	48%	0.477	60%	0.598	S	S	.	*	H	α-helix	trans	-70.8	-35	176.9	-158.4	-178.5	20.9	0	0	113.3	E153 R155 S160 K161	E153-Q157 WeakPolarHBondContact O-CB 2.97Å; E153-Q157 PolarHBondContact O-N 2.86Å; R155-Q157 VanDerWaalsContact C-N 3.27Å; R155-Q157 PolarHBondContact O-N 3.33Å; Q157-S160 WeakPolarHBondContact CA-OG 3.33Å; Q157-S160 PolarHBondContact O-OG 2.85Å; Q157-K161 WeakPolarHBondContact O-CB 3Å; Q157-K161 WeakPolarHBondContact O-CG 3.08Å; Q157-K161 PolarHBondContact O-N 3.07Å
158	R	58.6	Low	63.4	Low	200 Å²	200	113.5 Å²	113.5	76%	0.755	58%	0.579	S	S	*	*	H	α-helix	trans	-71.9	-43.3	175.5	-79.2	-171.9	-175.5	-168.5	2.2	112.1	N154 R155 S160 K161 S162	N154-R158 PolarHBondContact O-N 3.4Å; R155-R158 PolarHBondContact O-N 2.81Å; R158-S160 VanDerWaalsContact C-N 3.34Å; R158-S160 PolarHBondContact O-N 2.77Å; R158-K161 PolarHBondContact O-N 2.92Å; R158-S162 WeakPolarHBondContact O-CB 3.25Å; R158-S162 PolarHBondContact O-N 2.84Å
159	E	64.7	Low	66.2	Low	120 Å²	120	111 Å²	111	56%	0.561	57%	0.565	S	S	*	*	H	α-helix	trans	-60.4	-44.3	175.1	-66.8	-72.1	170.1	0	0	110.9	R155 S162 S163	R155-E159 HydrophobicContact CG-CG 4.47Å; R155-E159 VanDerWaalsContact O-CG 3.28Å; R155-E159 WeakPolarHBondContact O-CG 3.35Å; R155-E159 PolarHBondContact O-N 2.89Å; E159-S162 PolarHBondContact O-N 3.15Å; E159-S163 WeakPolarHBondContact O-CB 3.49Å; E159-S163 PolarHBondContact O-N 2.91Å
160	S	70.5	Confident	68.9	Low	61 Å²	61	110.2 Å²	110.2	43%	0.427	56%	0.555	S	S	.	*	H	α-helix	trans	-67	-41.1	178.1	58.1	0	0	0	0	113.5	E156 Q157 R158 S163 L164	E156-S160 WeakPolarHBondContact O-CB 3.27Å; E156-S160 PolarHBondContact O-N 3.44Å; E156-S160 PolarHBondContact O-OG 2.7Å; Q157-S160 WeakPolarHBondContact CA-OG 3.33Å; Q157-S160 PolarHBondContact O-OG 2.85Å; R158-S160 VanDerWaalsContact C-N 3.34Å; R158-S160 PolarHBondContact O-N 2.77Å; S160-S163 PolarHBondContact O-N 2.83Å; S160-L164 WeakPolarHBondContact O-CB 2.96Å; S160-L164 PolarHBondContact O-N 2.03Å
161	K	72.9	Confident	71.6	Confident	134 Å²	134	111.8 Å²	111.8	58%	0.583	56%	0.558	S	S	*	*	H	α-helix	trans	-64.6	-41.7	176.1	-78.9	178.8	-178.3	174.7	0	112.2	Q157 R158 L164 Y165	Q157-K161 WeakPolarHBondContact O-CB 3Å; Q157-K161 WeakPolarHBondContact O-CG 3.08Å; Q157-K161 PolarHBondContact O-N 3.07Å; R158-K161 PolarHBondContact O-N 2.92Å; K161-L164 PolarHBondContact O-N 2.7Å; K161-Y165 PolarHBondContact O-N 3.49Å; K161-Y165 VanDerWaalsContact O-N 3.1Å
162	S	77.8	Confident	74.2	Confident	68 Å²	68	110.9 Å²	110.9	48%	0.476	55%	0.552	S	S	.	*	H	α-helix	trans	-61	-46.4	176.2	-172.4	0	0	0	0	111	R158 E159 L164 Y165 I166	R158-S162 WeakPolarHBondContact O-CB 3.25Å; R158-S162 PolarHBondContact O-N 2.84Å; E159-S162 PolarHBondContact O-N 3.15Å; S162-L164 PolarHBondContact O-N 3.33Å; S162-Y165 PolarHBondContact O-N 2.94Å; S162-I166 WeakPolarHBondContact O-CG1 3.37Å; S162-I166 PolarHBondContact O-N 3.17Å
163	S	78.8	Confident	76.7	Confident	61 Å²	61	110 Å²	110	43%	0.427	55%	0.546	S	S	.	.	H	α-helix	trans	-60.5	-43.5	175.1	-174.5	0	0	0	0	112.4	E159 S160 Y165 I166 I167	E159-S163 WeakPolarHBondContact O-CB 3.49Å; E159-S163 PolarHBondContact O-N 2.91Å; S160-S163 PolarHBondContact O-N 2.83Å; S163-Y165 VanDerWaalsContact C-N 3.32Å; S163-Y165 PolarHBondContact O-N 3.07Å; S163-I166 PolarHBondContact O-N 2.98Å; S163-I167 WeakPolarHBondContact O-CD1 3.5Å; S163-I167 WeakPolarHBondContact O-CG1 3.46Å; S163-I167 PolarHBondContact O-N 2.01Å; S163-I167 WeakPolarHBondContact OG-CD1 3.3Å
164	L	85.5	Confident	79	Confident	107 Å²	107	109 Å²	109	56%	0.56	54%	0.54	S	S	*	.	H	α-helix	trans	-61.4	-39.5	179.4	-138.8	111.1	0	0	0	112.5	S160 K161 S162 I166 I167 I168	S160-L164 WeakPolarHBondContact O-CB 2.96Å; S160-L164 PolarHBondContact O-N 2.03Å; K161-L164 PolarHBondContact O-N 2.7Å; S162-L164 PolarHBondContact O-N 3.33Å; L164-I166 VanDerWaalsContact C-N 3.3Å; L164-I166 PolarHBondContact O-N 3.4Å; L164-I167 PolarHBondContact O-N 2.79Å; L164-I168 HydrophobicContact CD2-CD1 3.91Å; L164-I168 WeakPolarHBondContact O-CD1 3.12Å; L164-I168 VanDerWaalsContact O-CG1 3.31Å; L164-I168 WeakPolarHBondContact O-CG1 3.47Å; L164-I168 PolarHBondContact O-N 3.16Å; L164-I168 VanDerWaalsContact O-N 3.14Å
165	Y	89.4	Confident	81.2	Confident	187 Å²	187	110.1 Å²	110.1	73%	0.733	54%	0.54	S	S	*	.	H	α-helix	trans	-69.1	-27.6	180	-170.3	-100.5	0	0	0	112.8	K161 S162 S163 P169	K161-Y165 PolarHBondContact O-N 3.49Å; K161-Y165 VanDerWaalsContact O-N 3.1Å; S162-Y165 PolarHBondContact O-N 2.94Å; S163-Y165 VanDerWaalsContact C-N 3.32Å; S163-Y165 PolarHBondContact O-N 3.07Å; Y165-P169 WeakPolarHBondContact O-CD 3.36Å; Y165-P169 VanDerWaalsContact O-CG 3.31Å; Y165-P169 WeakPolarHBondContact O-CG 3.21Å
166	I	89.7	Confident	83.4	Confident	100 Å²	100	106.2 Å²	106.2	51%	0.513	54%	0.536	S	S	.	.	H	α-helix	trans	-81.1	-37.7	175.2	-62.4	168.3	0	0	0	110.7	S162 S163 L164 P169 L170	S162-I166 WeakPolarHBondContact O-CG1 3.37Å; S162-I166 PolarHBondContact O-N 3.17Å; S163-I166 PolarHBondContact O-N 2.98Å; L164-I166 VanDerWaalsContact C-N 3.3Å; L164-I166 PolarHBondContact O-N 3.4Å; I166-P169 WeakPolarHBondContact O-CD 3.22Å; I166-L170 HydrophobicContact CG2-CD1 4.03Å; I166-L170 WeakPolarHBondContact O-CD1 3.28Å; I166-L170 VanDerWaalsContact O-CG 3.3Å; I166-L170 WeakPolarHBondContact O-CG 3.34Å
167	I	91.7	Very high	85.2	Confident	86 Å²	86	103.3 Å²	103.3	44%	0.441	53%	0.528	S	S	.	.	H	α-helix	trans	-68.3	-40.1	-178.2	-66.2	163.4	0	0	0	111.7	S163 L164 L170 V171	S163-I167 WeakPolarHBondContact O-CD1 3.5Å; S163-I167 WeakPolarHBondContact O-CG1 3.46Å; S163-I167 PolarHBondContact O-N 2.01Å; S163-I167 WeakPolarHBondContact OG-CD1 3.3Å; L164-I167 PolarHBondContact O-N 2.79Å; I167-L170 PolarHBondContact O-N 2.89Å; I167-V171 HydrophobicContact CG2-CG2 3.99Å; I167-V171 VanDerWaalsContact O-CG2 3.3Å; I167-V171 WeakPolarHBondContact O-CG2 3.44Å; I167-V171 PolarHBondContact O-N 3.38Å
168	I	92.4	Very high	87.3	Confident	95 Å²	95	100.7 Å²	100.7	49%	0.487	52%	0.521	S	S	.	.	H	α-helix	trans	-60	-52.8	-175.7	-69.3	163.1	0	0	0	112.4	L164 L170 V171 V172	L164-I168 HydrophobicContact CD2-CD1 3.91Å; L164-I168 WeakPolarHBondContact O-CD1 3.12Å; L164-I168 VanDerWaalsContact O-CG1 3.31Å; L164-I168 WeakPolarHBondContact O-CG1 3.47Å; L164-I168 PolarHBondContact O-N 3.16Å; L164-I168 VanDerWaalsContact O-N 3.14Å; I168-L170 VanDerWaalsContact C-N 3.31Å; I168-L170 PolarHBondContact O-N 3.24Å; I168-V171 PolarHBondContact O-N 2.89Å; I168-V172 HydrophobicContact CG2-CG2 4.5Å; I168-V172 WeakPolarHBondContact O-CG2 2.99Å; I168-V172 PolarHBondContact O-N 3.36Å
169	P	94.8	Very high	89.1	Confident	64 Å²	64	96 Å²	96	42%	0.416	51%	0.51	S	S	.	.	H	α-helix	trans	-59.4	-39.8	176.5	-24.6	34.1	0	0	0	113	Y165 I166 V171 V172 V173	Y165-P169 WeakPolarHBondContact O-CD 3.36Å; Y165-P169 VanDerWaalsContact O-CG 3.31Å; Y165-P169 WeakPolarHBondContact O-CG 3.21Å; I166-P169 WeakPolarHBondContact O-CD 3.22Å; P169-V171 VanDerWaalsContact C-N 3.35Å; P169-V171 PolarHBondContact O-N 3.24Å; P169-V172 PolarHBondContact O-N 2.77Å; P169-V173 VanDerWaalsContact O-CG2 3.3Å; P169-V173 WeakPolarHBondContact O-CG2 3.5Å; P169-V173 PolarHBondContact O-N 3.41Å
170	L	95	Very high	90.5	Very high	115 Å²	115	91.9 Å²	91.9	60%	0.602	50%	0.499	S	S	*	.	H	α-helix	trans	-61.7	-43.5	178.4	-70.7	173.5	0	0	0	111.8	I166 I167 I168 V173 F174	I166-L170 HydrophobicContact CG2-CD1 4.03Å; I166-L170 WeakPolarHBondContact O-CD1 3.28Å; I166-L170 VanDerWaalsContact O-CG 3.3Å; I166-L170 WeakPolarHBondContact O-CG 3.34Å; I167-L170 PolarHBondContact O-N 2.89Å; I168-L170 VanDerWaalsContact C-N 3.31Å; I168-L170 PolarHBondContact O-N 3.24Å; L170-V173 PolarHBondContact O-N 3.22Å; L170-F174 WeakPolarHBondContact O-CB 3.38Å; L170-F174 PolarHBondContact O-N 3.14Å
171	V	95.6	Very high	91.8	Very high	65 Å²	65	93.8 Å²	93.8	39%	0.394	50%	0.504	S	S	.	.	H	α-helix	trans	-65.1	-42.5	176.6	171.6	0	0	0	0	111	I167 I168 P169 F174 F175	I167-V171 HydrophobicContact CG2-CG2 3.99Å; I167-V171 VanDerWaalsContact O-CG2 3.3Å; I167-V171 WeakPolarHBondContact O-CG2 3.44Å; I167-V171 PolarHBondContact O-N 3.38Å; I168-V171 PolarHBondContact O-N 2.89Å; P169-V171 VanDerWaalsContact C-N 3.35Å; P169-V171 PolarHBondContact O-N 3.24Å; V171-F174 WeakPolarHBondContact O-CB 3.44Å; V171-F174 PolarHBondContact O-N 3.35Å; V171-F175 HydrophobicContact CG1-CD2 3.63Å; V171-F175 HydrophobicContact CG1-CE2 3.33Å; V171-F175 HydrophobicContact CG1-CZ 4.48Å; V171-F175 WeakPolarHBondContact O-CD2 3.41Å; V171-F175 PolarHBondContact O-N 2.9Å
172	V	95.9	Very high	92.8	Very high	82 Å²	82	90.2 Å²	90.2	50%	0.497	50%	0.499	S	S	.	.	H	α-helix	trans	-61.8	-46.8	177.1	173	0	0	0	0	111.1	I168 P169 F174 F175 V176	I168-V172 HydrophobicContact CG2-CG2 4.5Å; I168-V172 WeakPolarHBondContact O-CG2 2.99Å; I168-V172 PolarHBondContact O-N 3.36Å; P169-V172 PolarHBondContact O-N 2.77Å; V172-F174 VanDerWaalsContact C-N 3.33Å; V172-F174 PolarHBondContact O-N 2.96Å; V172-F175 PolarHBondContact O-N 3.43Å; V172-V176 WeakPolarHBondContact O-CG2 3.49Å; V172-V176 PolarHBondContact O-N 2.92Å
173	V	96.4	Very high	93.6	Very high	90 Å²	90	91.4 Å²	91.4	55%	0.545	50%	0.499	S	S	.	.	H	α-helix	trans	-61.1	-43.5	176.8	172.3	0	0	0	0	110.8	P169 L170 F175 V176 V177	P169-V173 VanDerWaalsContact O-CG2 3.3Å; P169-V173 WeakPolarHBondContact O-CG2 3.5Å; P169-V173 PolarHBondContact O-N 3.41Å; L170-V173 PolarHBondContact O-N 3.22Å; V173-F175 PolarHBondContact O-N 3.43Å; V173-V176 PolarHBondContact O-N 2.98Å; V173-V177 HydrophobicContact CG1-CG2 4.46Å; V173-V177 WeakPolarHBondContact O-CG2 3Å; V173-V177 PolarHBondContact O-N 3.43Å
174	F	96.4	Very high	94.4	Very high	132 Å²	132	92.4 Å²	92.4	58%	0.579	51%	0.505	S	S	*	.	H	α-helix	trans	-58.1	-46	176.4	178.6	-99.4	0	0	0	112.2	L170 V171 V172 V176 V177 C178	L170-F174 WeakPolarHBondContact O-CB 3.38Å; L170-F174 PolarHBondContact O-N 3.14Å; V171-F174 WeakPolarHBondContact O-CB 3.44Å; V171-F174 PolarHBondContact O-N 3.35Å; V172-F174 VanDerWaalsContact C-N 3.33Å; V172-F174 PolarHBondContact O-N 2.96Å; F174-V176 PolarHBondContact O-N 3.45Å; F174-V177 PolarHBondContact O-N 3.14Å; F174-C178 VanDerWaalsContact CE1-SG 3.57Å; F174-C178 VanDerWaalsContact CZ-SG 3.51Å; F174-C178 WeakPolarHBondContact O-CB 3.34Å; F174-C178 PolarHBondContact O-N 3.37Å; F174-C178 PolarHBondContact O-SG 2.97Å
175	F	96.7	Very high	94.8	Very high	121 Å²	121	93.1 Å²	93.1	53%	0.531	51%	0.509	S	S	.	.	H	α-helix	trans	-62.9	-41.8	177	-80.4	-63.6	0	0	0	112.9	V171 V172 V173 V177 C178 I179	V171-F175 HydrophobicContact CG1-CD2 3.63Å; V171-F175 HydrophobicContact CG1-CE2 3.33Å; V171-F175 HydrophobicContact CG1-CZ 4.48Å; V171-F175 WeakPolarHBondContact O-CD2 3.41Å; V171-F175 PolarHBondContact O-N 2.9Å; V172-F175 PolarHBondContact O-N 3.43Å; V173-F175 PolarHBondContact O-N 3.43Å; F175-V177 VanDerWaalsContact C-N 3.32Å; F175-V177 PolarHBondContact O-N 3.31Å; F175-C178 PolarHBondContact O-N 2.98Å; F175-I179 WeakPolarHBondContact O-CB 3.46Å; F175-I179 VanDerWaalsContact O-CG1 3.23Å; F175-I179 WeakPolarHBondContact O-CG1 3.47Å; F175-I179 PolarHBondContact O-N 2.94Å
176	V	97	Very high	95	Very high	99 Å²	99	92.1 Å²	92.1	60%	0.6	50%	0.504	S	S	*	.	H	α-helix	trans	-60.7	-43.9	176.6	172.5	0	0	0	0	110.7	V172 V173 F174 I179 G180	V172-V176 WeakPolarHBondContact O-CG2 3.49Å; V172-V176 PolarHBondContact O-N 2.92Å; V173-V176 PolarHBondContact O-N 2.98Å; F174-V176 PolarHBondContact O-N 3.45Å; V176-I179 PolarHBondContact O-N 3.36Å; V176-G180 PolarHBondContact O-N 2.94Å
177	V	96.9	Very high	95.1	Very high	80 Å²	80	91.7 Å²	91.7	49%	0.485	50%	0.502	S	S	.	.	H	α-helix	trans	-64.1	-46.2	176.2	173.9	0	0	0	0	111.2	V173 F174 F175 I179 G180 L181	V173-V177 HydrophobicContact CG1-CG2 4.46Å; V173-V177 WeakPolarHBondContact O-CG2 3Å; V173-V177 PolarHBondContact O-N 3.43Å; F174-V177 PolarHBondContact O-N 3.14Å; F175-V177 VanDerWaalsContact C-N 3.32Å; F175-V177 PolarHBondContact O-N 3.31Å; V177-I179 PolarHBondContact O-N 2.02Å; V177-G180 PolarHBondContact O-N 3.01Å; V177-L181 HydrophobicContact CG1-CD1 4.07Å; V177-L181 HydrophobicContact CG1-CG 4.39Å; V177-L181 WeakPolarHBondContact O-CG 3.29Å; V177-L181 PolarHBondContact O-N 3.23Å
178	C	96.6	Very high	95.1	Very high	48 Å²	48	96.5 Å²	96.5	32%	0.324	52%	0.516	S	S	.	.	H	α-helix	trans	-61	-42.2	178.1	-72.5	0	0	0	0	112.8	F174 F175 L181 A182	F174-C178 VanDerWaalsContact CE1-SG 3.57Å; F174-C178 VanDerWaalsContact CZ-SG 3.51Å; F174-C178 WeakPolarHBondContact O-CB 3.34Å; F174-C178 PolarHBondContact O-N 3.37Å; F174-C178 PolarHBondContact O-SG 2.97Å; F175-C178 PolarHBondContact O-N 2.98Å; C178-L181 PolarHBondContact O-N 3.36Å; C178-A182 WeakPolarHBondContact O-CB 3.39Å; C178-A182 PolarHBondContact O-N 3.04Å
179	I	96.5	Very high	94.9	Very high	102 Å²	102	102.7 Å²	102.7	52%	0.523	53%	0.533	S	S	.	.	H	α-helix	trans	-64.7	-44.2	176.6	-67.9	165.4	0	0	0	109.9	F175 V176 V177 L181 A182 I183	F175-I179 WeakPolarHBondContact O-CB 3.46Å; F175-I179 VanDerWaalsContact O-CG1 3.23Å; F175-I179 WeakPolarHBondContact O-CG1 3.47Å; F175-I179 PolarHBondContact O-N 2.94Å; V176-I179 PolarHBondContact O-N 3.36Å; V177-I179 PolarHBondContact O-N 2.02Å; I179-L181 PolarHBondContact O-N 2.85Å; I179-A182 PolarHBondContact O-N 3.3Å; I179-I183 HydrophobicContact CG2-CD1 3.76Å; I179-I183 HydrophobicContact CG2-CG1 4.44Å; I179-I183 VanDerWaalsContact O-CG1 3.28Å; I179-I183 WeakPolarHBondContact O-CG1 3.45Å; I179-I183 PolarHBondContact O-N 3.18Å
180	G	95.1	Very high	94.4	Very high	32 Å²	32	108.8 Å²	108.8	33%	0.33	55%	0.548	S	S	.	.	H	α-helix	trans	-57.1	-47.3	174.8	0	0	0	0	0	112.3	V176 V177 A182 I183 C184	V176-G180 PolarHBondContact O-N 2.94Å; V177-G180 PolarHBondContact O-N 3.01Å; G180-A182 PolarHBondContact O-N 3.3Å; G180-I183 PolarHBondContact O-N 3.36Å; G180-C184 WeakPolarHBondContact O-CB 3.36Å; G180-C184 PolarHBondContact O-N 3.29Å; G180-C184 PolarHBondContact O-SG 3.47Å
181	L	96.2	Very high	93.4	Very high	102 Å²	102	113.9 Å²	113.9	53%	0.534	57%	0.569	S	S	.	*	H	α-helix	trans	-63.5	-41.2	177.2	-69.5	175.1	0	0	0	112.6	V177 C178 I179 C184 L185	V177-L181 HydrophobicContact CG1-CD1 4.07Å; V177-L181 HydrophobicContact CG1-CG 4.39Å; V177-L181 WeakPolarHBondContact O-CG 3.29Å; V177-L181 PolarHBondContact O-N 3.23Å; C178-L181 PolarHBondContact O-N 3.36Å; I179-L181 PolarHBondContact O-N 2.85Å; L181-C184 PolarHBondContact O-N 3.08Å; L181-L185 WeakPolarHBondContact O-CB 3.32Å; L181-L185 VanDerWaalsContact O-CG 3.3Å; L181-L185 WeakPolarHBondContact O-CG 3.3Å; L181-L185 PolarHBondContact O-N 3.36Å
182	A	95.3	Very high	93.3	Very high	59 Å²	59	116.3 Å²	116.3	49%	0.488	58%	0.578	S	S	.	*	H	α-helix	trans	-63.4	-41.8	177.3	0	0	0	0	0	111.8	C178 I179 G180 L185 W186	C178-A182 WeakPolarHBondContact O-CB 3.39Å; C178-A182 PolarHBondContact O-N 3.04Å; I179-A182 PolarHBondContact O-N 3.3Å; G180-A182 PolarHBondContact O-N 3.3Å; A182-L185 PolarHBondContact O-N 3.26Å; A182-W186 VanDerWaalsContact O-CB 3.28Å; A182-W186 WeakPolarHBondContact O-CB 3.3Å; A182-W186 PolarHBondContact O-N 3.4Å
183	I	94.8	Very high	93.1	Very high	93 Å²	93	118.1 Å²	118.1	48%	0.477	58%	0.582	S	S	.	*	H	α-helix	trans	-64.2	-46.4	175.1	-65.7	165.4	0	0	0	110.2	I179 G180 L185 W186 L187	I179-I183 HydrophobicContact CG2-CD1 3.76Å; I179-I183 HydrophobicContact CG2-CG1 4.44Å; I179-I183 VanDerWaalsContact O-CG1 3.28Å; I179-I183 WeakPolarHBondContact O-CG1 3.45Å; I179-I183 PolarHBondContact O-N 3.18Å; G180-I183 PolarHBondContact O-N 3.36Å; I183-L185 PolarHBondContact O-N 2.88Å; I183-W186 PolarHBondContact O-N 3Å; I183-L187 HydrophobicContact CG2-CD1 4.1Å; I183-L187 HydrophobicContact CG2-CG 4.45Å; I183-L187 WeakPolarHBondContact O-CG 3.47Å; I183-L187 PolarHBondContact O-N 3.4Å
184	C	93.9	Very high	92.9	Very high	82 Å²	82	119.7 Å²	119.7	55%	0.554	58%	0.584	S	S	*	*	H	α-helix	trans	-58.8	-45	177	-71.2	0	0	0	0	112.3	G180 L181 W186 L187 Y188	G180-C184 WeakPolarHBondContact O-CB 3.36Å; G180-C184 PolarHBondContact O-N 3.29Å; G180-C184 PolarHBondContact O-SG 3.47Å; L181-C184 PolarHBondContact O-N 3.08Å; C184-W186 VanDerWaalsContact C-N 3.34Å; C184-L187 PolarHBondContact O-N 3.37Å; C184-Y188 WeakPolarHBondContact O-CB 3.28Å; C184-Y188 PolarHBondContact O-N 3.28Å
185	L	93.7	Very high	92.7	Very high	122 Å²	122	118.9 Å²	118.9	64%	0.639	58%	0.584	S	S	*	*	H	α-helix	trans	-66.9	-35.8	177.1	-72	172	0	0	0	112.4	L181 A182 I183 Y188 R189	L181-L185 WeakPolarHBondContact O-CB 3.32Å; L181-L185 VanDerWaalsContact O-CG 3.3Å; L181-L185 WeakPolarHBondContact O-CG 3.3Å; L181-L185 PolarHBondContact O-N 3.36Å; A182-L185 PolarHBondContact O-N 3.26Å; I183-L185 PolarHBondContact O-N 2.88Å; L185-Y188 PolarHBondContact O-N 3.27Å; L185-R189 WeakPolarHBondContact O-CB 3.38Å; L185-R189 PolarHBondContact O-N 2.67Å
186	W	93.7	Very high	92.5	Very high	166 Å²	166	118.8 Å²	118.8	63%	0.629	59%	0.587	S	S	*	*	H	α-helix	trans	-67.9	-39.1	177	-166.2	77.9	0	0	0	111.9	A182 I183 C184 R190	A182-W186 VanDerWaalsContact O-CB 3.28Å; A182-W186 WeakPolarHBondContact O-CB 3.3Å; A182-W186 PolarHBondContact O-N 3.4Å; I183-W186 PolarHBondContact O-N 3Å; C184-W186 VanDerWaalsContact C-N 3.34Å; W186-R190 PolarHBondContact O-N 3.4Å
187	L	92.6	Very high	92.2	Very high	91 Å²	91	120.1 Å²	120.1	48%	0.476	59%	0.587	S	S	.	*	H	α-helix	trans	-67.1	-45.8	172.8	-67.6	175.4	0	0	0	111.3	I183 C184 R189 R190 E191	I183-L187 HydrophobicContact CG2-CD1 4.1Å; I183-L187 HydrophobicContact CG2-CG 4.45Å; I183-L187 WeakPolarHBondContact O-CG 3.47Å; I183-L187 PolarHBondContact O-N 3.4Å; C184-L187 PolarHBondContact O-N 3.37Å; L187-R189 VanDerWaalsContact C-N 3.26Å; L187-R189 PolarHBondContact O-N 3.26Å; L187-R190 WeakPolarHBondContact O-CB 3.11Å; L187-R190 PolarHBondContact O-N 3.48Å; L187-E191 PolarHBondContact O-N 3.09Å
188	Y	91.7	Very high	91.8	Very high	187 Å²	187	123 Å²	123	73%	0.733	59%	0.594	S	S	*	*	H	α-helix	trans	-62.1	-31	178.8	-174.6	-97.3	0	0	0	113.5	C184 L185 R190	C184-Y188 WeakPolarHBondContact O-CB 3.28Å; C184-Y188 PolarHBondContact O-N 3.28Å; L185-Y188 PolarHBondContact O-N 3.27Å; Y188-R190 VanDerWaalsContact C-N 3.29Å
189	R	88.7	Confident	91.5	Very high	224 Å²	224	128.8 Å²	128.8	85%	0.845	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-14.1	176.3	-166	176	179.4	170.7	2	113.1	L185 L187	L185-R189 WeakPolarHBondContact O-CB 3.38Å; L185-R189 PolarHBondContact O-N 2.67Å; L187-R189 VanDerWaalsContact C-N 3.26Å; L187-R189 PolarHBondContact O-N 3.26Å
190	R	83.2	Confident	91.1	Very high	192 Å²	192	131 Å²	131	73%	0.725	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-24.1	-178.3	-168.3	172.9	-179.7	166.9	-0.8	112.4	W186 L187 Y188	W186-R190 PolarHBondContact O-N 3.4Å; L187-R190 WeakPolarHBondContact O-CB 3.11Å; L187-R190 PolarHBondContact O-N 3.48Å; Y188-R190 VanDerWaalsContact C-N 3.29Å
191	E	73.8	Confident	90.7	Very high	222 Å²	222	140 Å²	140	100%	1.037	65%	0.649	S	S	*	*			trans	-74.7	0	160.8	-108.9	104.2	-149.5	0	0	111.2	L187	L187-E191 PolarHBondContact O-N 3.09Å

Retrieved 191 of 191 residues in 55.5 ms (Link to these results)

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