A0A077Z068_TRITR Loading...

Group 3 secretory phospholipase A2

AlphaFold DB , UniProt , Accession A0A077Z068, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 293 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.6	Very low	36.8	Very low	232 Å²	232	156.6 Å²	156.6	100%	1.143	83%	0.828	S	S	*	*				0	131.2	0	-98.3	178.1	158.2	0	0	108.8
2	R	35.7	Very low	36.8	Very low	228 Å²	228	158 Å²	158	86%	0.86	83%	0.826	S	S	*	*			trans	71.5	136.8	162.3	-61.1	-179.2	176.5	-176.8	-1.8	116.5
3	T	36.6	Very low	37	Very low	122 Å²	122	154.8 Å²	154.8	75%	0.748	82%	0.818	S	S	*	*			cis	-173.8	111	3.5	22.1	0	0	0	0	104.1
4	V	33.4	Very low	37	Very low	126 Å²	126	155.9 Å²	155.9	76%	0.764	82%	0.823	S	S	*	*				44	110.8	93.3	-172	0	0	0	0	117.5
5	K	35.2	Very low	37	Very low	199 Å²	199	155.7 Å²	155.7	87%	0.865	82%	0.821	S	S	*	*			trans	74.4	102.3	146.6	-71.4	171.1	-174.4	-174.5	0	120.2
6	G	34.4	Very low	37.2	Very low	70 Å²	70	152.9 Å²	152.9	72%	0.722	82%	0.815	S	S	*	*			trans	-107.2	149.5	149.5	0	0	0	0	0	110.8
7	P	37.1	Very low	37.2	Very low	117 Å²	117	153.4 Å²	153.4	76%	0.76	82%	0.816	S	S	*	*			trans	-103.4	140.9	-170.1	37.2	-27.8	0	0	0	112.3
8	Y	38.3	Very low	37.2	Very low	225 Å²	225	153.4 Å²	153.4	88%	0.882	82%	0.816	S	S	*	*			trans	-133.9	126.3	158.5	-74.6	-75.6	0	0	0	109
9	P	37.2	Very low	37	Very low	115 Å²	115	153.4 Å²	153.4	75%	0.747	82%	0.815	S	S	*	*			trans	-82	137	-174.1	32.7	-33	0	0	0	111.3	V11	P9-V11 PolarHBondContact O-N 3.23Å
10	L	38.8	Very low	37.2	Very low	168 Å²	168	151.5 Å²	151.5	88%	0.88	81%	0.809	S	S	*	*			trans	-66.7	103.7	169.1	-81.5	151.6	0	0	0	109.4	Q12	L10-Q12 PolarHBondContact O-N 2.89Å
11	V	38.1	Very low	37.3	Very low	121 Å²	121	148.8 Å²	148.8	73%	0.733	81%	0.808	S	S	*	*			trans	-81.9	93.4	162.4	-178.9	0	0	0	0	106.7	P9 T13	P9-V11 PolarHBondContact O-N 3.23Å; V11-T13 HydrophobicContact CG1-CG2 4.33Å; V11-T13 PolarHBondContact O-N 3.14Å; V11-T13 VanDerWaalsContact O-N 3.13Å
12	Q	36.9	Very low	37.4	Very low	173 Å²	173	140.8 Å²	140.8	81%	0.808	77%	0.772	S	S	*	*			trans	-68.7	100.6	165.3	-80.6	176.2	-35.5	0	0	108	L10 L14	L10-Q12 PolarHBondContact O-N 2.89Å; Q12-L14 PolarHBondContact O-N 3.45Å
13	T	39.4	Very low	37.9	Very low	117 Å²	117	135.8 Å²	135.8	72%	0.718	75%	0.753	S	S	*	*			trans	-71.1	106.6	166.5	42.2	0	0	0	0	108.4	V11 L15	V11-T13 HydrophobicContact CG1-CG2 4.33Å; V11-T13 PolarHBondContact O-N 3.14Å; V11-T13 VanDerWaalsContact O-N 3.13Å; T13-L15 PolarHBondContact O-N 3.13Å; T13-L15 VanDerWaalsContact O-N 3.11Å
14	L	36.8	Very low	38.6	Very low	170 Å²	170	134.6 Å²	134.6	89%	0.89	75%	0.748	S	S	*	*			trans	-61.1	106.5	168	-74.5	158.2	0	0	0	108.4	Q12	Q12-L14 PolarHBondContact O-N 3.45Å
15	L	38.1	Very low	39.5	Very low	153 Å²	153	129.8 Å²	129.8	80%	0.801	72%	0.719	S	S	*	*			trans	-68.4	125.5	166.5	-134.2	80.4	0	0	0	107.6	T13 L17	T13-L15 PolarHBondContact O-N 3.13Å; T13-L15 VanDerWaalsContact O-N 3.11Å; L15-L17 PolarHBondContact O-N 2.92Å
16	P	39.7	Very low	40.1	Very low	110 Å²	110	128.8 Å²	128.8	71%	0.714	71%	0.711	S	S	*	*			trans	-74.5	121.3	-179.5	29.3	-29.8	0	0	0	108.8	L18	P16-L18 VanDerWaalsContact C-N 3.27Å; P16-L18 PolarHBondContact O-N 3.19Å
17	L	36.4	Very low	40.2	Very low	161 Å²	161	126.7 Å²	126.7	84%	0.843	69%	0.69	S	S	*	*			trans	-59.5	93.8	161.6	-90.5	103.9	0	0	0	108	L15 L19	L15-L17 PolarHBondContact O-N 2.92Å; L17-L19 PolarHBondContact O-N 3.44Å
18	L	37	Very low	40.1	Very low	155 Å²	155	130.8 Å²	130.8	81%	0.812	70%	0.697	S	S	*	*			trans	-64.5	94.1	155.5	-93.6	152	0	0	0	106.2	P16 V20	P16-L18 VanDerWaalsContact C-N 3.27Å; P16-L18 PolarHBondContact O-N 3.19Å; L18-V20 PolarHBondContact O-N 3.19Å
19	L	35.1	Very low	39.9	Very low	152 Å²	152	126.9 Å²	126.9	80%	0.796	68%	0.684	S	S	*	*			trans	-58.1	92.7	160.1	-80.8	159.1	0	0	0	106.6	L17 A21	L17-L19 PolarHBondContact O-N 3.44Å; L19-A21 VanDerWaalsContact C-N 3.34Å; L19-A21 PolarHBondContact O-N 3.24Å
20	V	40	Very low	39.5	Very low	115 Å²	115	128 Å²	128	70%	0.697	69%	0.69	S	S	*	*			trans	-58.1	105.8	162.1	178.6	0	0	0	0	104.9	L18 V22	L18-V20 PolarHBondContact O-N 3.19Å; V20-V22 HydrophobicContact CG1-CG2 4.35Å; V20-V22 PolarHBondContact O-N 3.18Å
21	A	39.1	Very low	39.3	Very low	96 Å²	96	121.6 Å²	121.6	79%	0.793	66%	0.664	S	S	*	*			trans	-69.2	86.2	174.7	0	0	0	0	0	107.5	L19 R23	L19-A21 VanDerWaalsContact C-N 3.34Å; L19-A21 PolarHBondContact O-N 3.24Å; A21-R23 PolarHBondContact O-N 3.32Å
22	V	41.5	Very low	38.9	Very low	64 Å²	64	125.4 Å²	125.4	39%	0.388	67%	0.674	S	S	.	*			trans	-61	115.7	176.2	172.8	0	0	0	0	108.6	V20 P24 E99	V20-V22 HydrophobicContact CG1-CG2 4.35Å; V20-V22 PolarHBondContact O-N 3.18Å; V22-P24 WeakPolarHBondContact O-CD 3.36Å; V22-E99 VanDerWaalsContact CG1-CD 3.41Å; V22-E99 WeakPolarHBondContact CG1-OE1 3.4Å; V22-E99 WeakPolarHBondContact CG1-OE2 3.26Å; V22-E99 VanDerWaalsContact CG2-OE1 3.28Å; V22-E99 WeakPolarHBondContact CG2-OE1 3.48Å
23	R	47.4	Very low	38.9	Very low	122 Å²	122	121.7 Å²	121.7	46%	0.46	67%	0.667	S	S	.	*			trans	-79.3	118.1	166.3	-82.4	178.1	157.8	-140.6	-1.6	108.3	A21	A21-R23 PolarHBondContact O-N 3.32Å
24	P	49.9	Very low	38.7	Very low	97 Å²	97	123.4 Å²	123.4	63%	0.63	67%	0.672	S	S	*	*			trans	-62.6	158.6	169.5	0.2	9.4	0	0	0	110.3	V22 Y26 G27	V22-P24 WeakPolarHBondContact O-CD 3.36Å; P24-Y26 PolarHBondContact O-N 2.87Å; P24-G27 PolarHBondContact O-N 3.15Å
25	C	52.3	Low	39.1	Very low	25 Å²	25	121.6 Å²	121.6	17%	0.169	67%	0.67	C	S	.	*	T	Hydrogen-bonded Turn	trans	-60.9	12	-170.5	-49.3	0	0	0	0	116.8	C76	C25-C76 HydrophobicContact CB-CB 3.85Å; C25-C76 WeakPolarHBondContact CB-SG 3.47Å; C25-C76 WeakPolarHBondContact SG-CB 3.37Å; C25-C76 CovalentContact SG-SG 2.02Å; C25-C76 PolarHBondContact SG-SG 3.19Å
26	Y	47.6	Very low	39.2	Very low	178 Å²	178	118.9 Å²	118.9	70%	0.698	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.8	21.5	-179.4	-67.6	-75.8	0	0	0	113.4	P24	P24-Y26 PolarHBondContact O-N 2.87Å
27	G	38.3	Very low	39.2	Very low	27 Å²	27	119 Å²	119	28%	0.278	67%	0.668	S	S	.	*			trans	-95.4	91.4	-177.8	0	0	0	0	0	114	P24 F29	P24-G27 PolarHBondContact O-N 3.15Å; G27-F29 PolarHBondContact O-N 3.1Å
28	F	33.1	Very low	39.4	Very low	203 Å²	203	117.1 Å²	117.1	89%	0.89	66%	0.664	S	S	*	*			trans	-57.4	126	169.9	-81.5	-95.6	0	0	0	111.5
29	F	34.9	Very low	39.8	Very low	142 Å²	142	112.8 Å²	112.8	62%	0.623	65%	0.645	S	S	*	*			trans	-96.7	121.5	168.8	-158.6	-90	0	0	0	109.8	G27 G31	G27-F29 PolarHBondContact O-N 3.1Å; F29-G31 VanDerWaalsContact C-N 3.35Å; F29-G31 PolarHBondContact O-N 2.81Å
30	T	29.4	Very low	40.5	Very low	140 Å²	140	110.8 Å²	110.8	86%	0.859	64%	0.639	S	S	*	*			trans	-87.1	77	172.8	53.1	0	0	0	0	109.4
31	G	35	Very low	41	Very low	33 Å²	33	108 Å²	108	34%	0.34	62%	0.623	S	S	.	*			trans	-96.9	114.1	167.2	0	0	0	0	0	109.7	F29	F29-G31 VanDerWaalsContact C-N 3.35Å; F29-G31 PolarHBondContact O-N 2.81Å
32	Q	29.1	Very low	41.7	Very low	201 Å²	201	104.2 Å²	104.2	94%	0.939	59%	0.59	S	S	*	*			trans	-80.2	115.6	176.3	-175.6	161.5	4.6	0	0	109.1
33	S	36.3	Very low	42.6	Very low	95 Å²	95	106 Å²	106	66%	0.664	60%	0.597	S	S	*	*			trans	-113.3	138.8	174.5	52.4	0	0	0	0	111.5
34	D	35.5	Very low	42.9	Very low	153 Å²	153	101.6 Å²	101.6	82%	0.818	58%	0.583	S	S	*	*			trans	-71.6	140.6	178.9	-80	-40.6	0	0	0	112.1	A36	D34-A36 PolarHBondContact O-N 3.4Å
35	P	45.5	Very low	43.3	Very low	132 Å²	132	103.3 Å²	103.3	86%	0.857	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	14.7	-165.7	31.7	-35.8	0	0	0	116.7
36	A	39.9	Very low	43.5	Very low	96 Å²	96	106.7 Å²	106.7	79%	0.793	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.6	5.1	-164.2	0	0	0	0	0	117.4	D34	D34-A36 PolarHBondContact O-N 3.4Å
37	T	40.7	Very low	43.8	Very low	112 Å²	112	98.8 Å²	98.8	69%	0.687	57%	0.567	S	S	*	*	S	Bend	trans	-126.4	126.5	179.1	-47.5	0	0	0	0	109.3
38	T	39.6	Very low	44.5	Very low	122 Å²	122	101.9 Å²	101.9	75%	0.748	57%	0.572	S	S	*	*			trans	-47.2	124.2	164.7	43.3	0	0	0	0	108.1	V40	T38-V40 PolarHBondContact O-N 2.93Å
39	P	45.4	Very low	45.6	Very low	63 Å²	63	95.6 Å²	95.6	41%	0.409	55%	0.548	S	S	.	.			trans	-57.3	112.6	-172.9	19.8	-29.5	0	0	0	108.5	P41	P39-P41 WeakPolarHBondContact O-CD 3.43Å
40	V	50.4	Low	46.5	Very low	111 Å²	111	93 Å²	93	67%	0.673	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-63.2	122.9	167.3	179.9	0	0	0	0	104.5	T38	T38-V40 PolarHBondContact O-N 2.93Å
41	P	50.8	Low	47.7	Very low	56 Å²	56	91 Å²	91	36%	0.364	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-51.5	131.8	174.8	-23.3	32	0	0	0	107.9	P39 D43	P39-P41 WeakPolarHBondContact O-CD 3.43Å; P41-D43 PolarHBondContact O-N 2.96Å
42	P	53.5	Low	48.9	Very low	17 Å²	17	95 Å²	95	11%	0.11	55%	0.546	C	S	.	.	P	Polyproline II helix	trans	-53.4	144.8	178.7	21.5	-31.5	0	0	0	109.2	L44 M46 L47 F146 W148	P42-L44 PolarHBondContact O-N 2.86Å; P42-M46 HydrophobicContact CB-CB 4.18Å; P42-M46 HydrophobicContact CB-CG 4.46Å; P42-M46 HydrophobicContact CB-SD 3.78Å; P42-L47 HydrophobicContact CG-CD2 4.15Å; P42-L47 HydrophobicContact CG-CG 4.4Å; P42-F146 HydrophobicContact CG-CE1 4.16Å; P42-F146 HydrophobicContact CG-CE2 3.74Å; P42-F146 HydrophobicContact CG-CZ 3.47Å; P42-F146 VanDerWaalsContact CG-CZ 3.47Å; P42-W148 HydrophobicContact CB-CH2 3.81Å; P42-W148 HydrophobicContact CB-CZ2 3.8Å; P42-W148 HydrophobicContact CG-CH2 3.64Å; P42-W148 HydrophobicContact CG-CZ2 3.62Å
43	D	59.5	Low	50.4	Low	100 Å²	100	87.8 Å²	87.8	54%	0.535	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-47.3	130.3	170.5	-176.5	-5.5	0	0	0	108	P41 H45 M46	P41-D43 PolarHBondContact O-N 2.96Å; D43-H45 PolarHBondContact O-N 2.76Å; D43-H45 IonicContact OD1-CD2 3.28Å; D43-H45 PolarHBondContact OD1-CD2 2.85Å; D43-H45 VanDerWaalsContact OD1-CD2 3.25Å; D43-H45 IonicContact OD1-CG 3.36Å; D43-H45 PolarHBondContact OD1-N 2.9Å; D43-H45 IonicContact OD2-CD2 3.65Å; D43-M46 WeakPolarHBondContact O-CB 3.47Å; D43-M46 PolarHBondContact O-N 3.32Å
44	L	54.8	Low	52.3	Low	31 Å²	31	84.5 Å²	84.5	16%	0.162	49%	0.492	C	S	.	.	H	α-helix	trans	-50.8	-26.6	-177.9	-173.6	74	0	0	0	111.6	P42 M46 L47 K48 T136 V139	P42-L44 PolarHBondContact O-N 2.86Å; L44-M46 VanDerWaalsContact C-N 3.3Å; L44-M46 PolarHBondContact O-N 3.47Å; L44-L47 HydrophobicContact CD1-CD1 4.43Å; L44-L47 PolarHBondContact O-N 2.81Å; L44-K48 PolarHBondContact O-N 3.42Å; L44-T136 HydrophobicContact CD2-CG2 4.05Å; L44-V139 HydrophobicContact CD1-CB 3.78Å; L44-V139 HydrophobicContact CD1-CG1 3.69Å; L44-V139 HydrophobicContact CD1-CG2 4.13Å
45	H	57.5	Low	54.8	Low	133 Å²	133	79.2 Å²	79.2	62%	0.616	46%	0.464	S	S	*	.	H	α-helix	trans	-59	-33.9	172.4	-71.8	-68	0	0	0	114.3	D43 K48	D43-H45 PolarHBondContact O-N 2.76Å; D43-H45 IonicContact OD1-CD2 3.28Å; D43-H45 PolarHBondContact OD1-CD2 2.85Å; D43-H45 VanDerWaalsContact OD1-CD2 3.25Å; D43-H45 IonicContact OD1-CG 3.36Å; D43-H45 PolarHBondContact OD1-N 2.9Å; D43-H45 IonicContact OD2-CD2 3.65Å; H45-K48 PolarHBondContact O-N 3.11Å
46	M	56.1	Low	57	Low	95 Å²	95	73 Å²	73	47%	0.468	42%	0.423	S	S	.	.	H	α-helix	trans	-67.5	-39.5	176.4	-63.3	-175.7	65.4	0	0	111.9	P42 D43 L44 K48 N49	P42-M46 HydrophobicContact CB-CB 4.18Å; P42-M46 HydrophobicContact CB-CG 4.46Å; P42-M46 HydrophobicContact CB-SD 3.78Å; D43-M46 WeakPolarHBondContact O-CB 3.47Å; D43-M46 PolarHBondContact O-N 3.32Å; L44-M46 VanDerWaalsContact C-N 3.3Å; L44-M46 PolarHBondContact O-N 3.47Å; M46-K48 PolarHBondContact O-N 3.31Å; M46-N49 PolarHBondContact O-N 3.34Å
47	L	55.3	Low	59.5	Low	13 Å²	13	68.4 Å²	68.4	7%	0.068	39%	0.385	C	S	.	.	H	α-helix	trans	-68.4	-16.6	178.2	-59.6	177.7	0	0	0	113	P42 L44 F56 I135 V139 F146	P42-L47 HydrophobicContact CG-CD2 4.15Å; P42-L47 HydrophobicContact CG-CG 4.4Å; L44-L47 HydrophobicContact CD1-CD1 4.43Å; L44-L47 PolarHBondContact O-N 2.81Å; L47-F56 HydrophobicContact CD2-CD1 3.62Å; L47-F56 HydrophobicContact CD2-CD2 4.32Å; L47-F56 HydrophobicContact CD2-CE1 3.5Å; L47-F56 VanDerWaalsContact CD2-CE1 3.5Å; L47-F56 HydrophobicContact CD2-CE2 4.24Å; L47-F56 HydrophobicContact CD2-CG 4.04Å; L47-F56 HydrophobicContact CD2-CZ 3.84Å; L47-I135 HydrophobicContact CD1-CG2 3.94Å; L47-V139 HydrophobicContact CD1-CG2 4.42Å; L47-F146 HydrophobicContact CD2-CE2 4.28Å
48	K	53	Low	62	Low	91 Å²	91	63 Å²	63	40%	0.396	35%	0.353	S	S	.	.	H	α-helix	trans	-87.1	-20.6	178.1	-69.2	176	-179.7	176.9	0	113.3	L44 H45 M46 L50 Q132	L44-K48 PolarHBondContact O-N 3.42Å; H45-K48 PolarHBondContact O-N 3.11Å; M46-K48 PolarHBondContact O-N 3.31Å; K48-L50 PolarHBondContact O-N 3.25Å; K48-Q132 PolarHBondContact O-NE2 3.19Å
49	N	55.9	Low	64.6	Low	72 Å²	72	57.9 Å²	57.9	39%	0.385	32%	0.32	S	S	.	.			trans	-84.9	100.1	-172.1	-168.9	3.6	0	0	0	111.9	M46 S51	M46-N49 PolarHBondContact O-N 3.34Å; N49-S51 PolarHBondContact O-N 2.84Å; N49-S51 WeakPolarHBondContact OD1-CB 3.41Å; N49-S51 PolarHBondContact OD1-N 3.06Å
50	L	52.5	Low	66.9	Low	86 Å²	86	56 Å²	56	45%	0.45	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-16	175.1	-67.9	168.3	0	0	0	113.6	K48 W77 V128	K48-L50 PolarHBondContact O-N 3.25Å; L50-W77 HydrophobicContact CD2-CZ2 3.81Å; L50-V128 HydrophobicContact CD1-CG1 3.88Å; L50-V128 HydrophobicContact CD2-CG1 3.62Å; L50-V128 HydrophobicContact CG-CG1 4.34Å
51	S	56	Low	68.7	Low	99 Å²	99	54.4 Å²	54.4	69%	0.692	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-22.7	-178.5	-57.1	0	0	0	0	113.5	N49	N49-S51 PolarHBondContact O-N 2.84Å; N49-S51 WeakPolarHBondContact OD1-CB 3.41Å; N49-S51 PolarHBondContact OD1-N 3.06Å
52	D	59.1	Low	70.3	Confident	118 Å²	118	54.4 Å²	54.4	63%	0.631	29%	0.291	S	S	*	.	S	Bend	trans	-122	85.4	172.6	-82.3	-37	0	0	0	108.5	V54	D52-V54 PolarHBondContact O-N 3.46Å; D52-V54 VanDerWaalsContact O-N 3.14Å
53	P	60.7	Low	71.5	Confident	49 Å²	49	57.4 Å²	57.4	32%	0.318	31%	0.312	S	S	.	.			trans	-62.1	122.9	-177.5	23.5	-31.2	0	0	0	110.4	G74	P53-G74 VanDerWaalsContact CB-C 3.48Å; P53-G74 WeakPolarHBondContact CB-O 3.4Å
54	V	76.3	Confident	72.1	Confident	26 Å²	26	57.1 Å²	57.1	16%	0.158	31%	0.31	C	S	.	.			trans	-100.9	137.6	176.5	-98.2	0	0	0	0	109.8	D52 F56 W148	D52-V54 PolarHBondContact O-N 3.46Å; D52-V54 VanDerWaalsContact O-N 3.14Å; V54-F56 HydrophobicContact CB-CD1 4.2Å; V54-F56 HydrophobicContact CG2-CD1 4.06Å; V54-F56 HydrophobicContact CG2-CE1 4.19Å; V54-F56 WeakPolarHBondContact O-CD1 3.35Å; V54-W148 HydrophobicContact CB-CZ3 4.08Å; V54-W148 HydrophobicContact CG1-CH2 4.24Å; V54-W148 HydrophobicContact CG1-CZ3 3.82Å
55	D	89.1	Confident	73.1	Confident	42 Å²	42	61.4 Å²	61.4	23%	0.225	33%	0.333	C	S	.	.			trans	-95.6	103.1	-177.4	-59.1	-25.3	0	0	0	110	Q72 N73 G74 M149	D55-Q72 CarbonylContact C-O 3.57Å; D55-Q72 VanDerWaalsContact CA-O 3.28Å; D55-Q72 WeakPolarHBondContact CA-O 3.37Å; D55-N73 WeakPolarHBondContact OD1-CA 3.16Å; D55-N73 PolarHBondContact OD1-OD1 3Å; D55-G74 PolarHBondContact OD1-N 3.01Å; D55-M149 HydrophobicContact CB-CB 3.93Å; D55-M149 HydrophobicContact CB-CG 4.06Å; D55-M149 HydrophobicContact CB-SD 3.84Å; D55-M149 PolarHBondContact O-N 2.81Å; D55-M149 VanDerWaalsContact O-N 3.1Å
56	F	91	Very high	74.4	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	163.3	-172.7	69.8	-97.3	0	0	0	113.2	L47 V54 V58 T71 Q72 F131 I135 F146 H147 W148	L47-F56 HydrophobicContact CD2-CD1 3.62Å; L47-F56 HydrophobicContact CD2-CD2 4.32Å; L47-F56 HydrophobicContact CD2-CE1 3.5Å; L47-F56 VanDerWaalsContact CD2-CE1 3.5Å; L47-F56 HydrophobicContact CD2-CE2 4.24Å; L47-F56 HydrophobicContact CD2-CG 4.04Å; L47-F56 HydrophobicContact CD2-CZ 3.84Å; V54-F56 HydrophobicContact CB-CD1 4.2Å; V54-F56 HydrophobicContact CG2-CD1 4.06Å; V54-F56 HydrophobicContact CG2-CE1 4.19Å; V54-F56 WeakPolarHBondContact O-CD1 3.35Å; F56-V58 HydrophobicContact CD2-CG2 3.88Å; F56-V58 HydrophobicContact CE2-CG2 3.96Å; F56-T71 WeakPolarHBondContact O-CA 3.33Å; F56-Q72 HydrophobicContact CD1-CB 4.04Å; F56-Q72 HydrophobicContact CE1-CB 3.54Å; F56-Q72 HydrophobicContact CE1-CG 4.23Å; F56-Q72 HydrophobicContact CE2-CB 4.37Å; F56-Q72 HydrophobicContact CZ-CB 3.73Å; F56-Q72 PolarHBondContact N-O 3.06Å; F56-Q72 PolarHBondContact O-N 3.24Å; F56-F131 HydrophobicContact CZ-CE1 4.34Å; F56-I135 HydrophobicContact CE2-CD1 3.77Å; F56-I135 HydrophobicContact CZ-CD1 3.76Å; F56-F146 HydrophobicContact CB-CE2 3.88Å; F56-F146 HydrophobicContact CB-CZ 3.72Å; F56-F146 HydrophobicContact CD2-CE2 4.28Å; F56-F146 HydrophobicContact CG-CE2 4.19Å; F56-F146 HydrophobicContact CG-CZ 4.45Å; F56-H147 CarbonylContact C-O 3.53Å; F56-H147 WeakPolarHBondContact CA-O 3.32Å; F56-W148 HydrophobicContact CB-CE3 4.4Å
57	V	93.3	Very high	76	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.7	167.8	-179.3	0	0	0	0	109.8	I59 I69 F70 T71 F146 H147 M149 Y154 M156	V57-I59 HydrophobicContact CG1-CD1 4.22Å; V57-I59 HydrophobicContact CG1-CG1 3.78Å; V57-I69 HydrophobicContact CG1-CG2 3.86Å; V57-F70 CarbonylContact C-O 3.45Å; V57-F70 VanDerWaalsContact CA-O 3.3Å; V57-F70 WeakPolarHBondContact CA-O 3.36Å; V57-T71 HydrophobicContact CG2-CG2 3.94Å; V57-F146 WeakPolarHBondContact O-CA 3.43Å; V57-H147 HydrophobicContact CB-CB 4.43Å; V57-H147 PolarHBondContact N-O 2.97Å; V57-H147 PolarHBondContact O-N 3.02Å; V57-M149 HydrophobicContact CG2-CG 4.4Å; V57-Y154 HydrophobicContact CB-CE1 4.1Å; V57-Y154 HydrophobicContact CG1-CE1 4.41Å; V57-Y154 HydrophobicContact CG2-CE1 3.85Å; V57-M156 HydrophobicContact CG2-CG 4.45Å; V57-M156 HydrophobicContact CG2-SD 4.15Å
58	V	93	Very high	77.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.1	168.5	176.2	0	0	0	0	108.5	F56 I69 F70 V138 Y144 E145 F146	F56-V58 HydrophobicContact CD2-CG2 3.88Å; F56-V58 HydrophobicContact CE2-CG2 3.96Å; V58-I69 CarbonylContact O-C 3.53Å; V58-I69 WeakPolarHBondContact O-CA 3.38Å; V58-F70 HydrophobicContact CB-CB 4.26Å; V58-F70 HydrophobicContact CB-CD2 4.22Å; V58-F70 HydrophobicContact CG1-CD2 4.22Å; V58-F70 PolarHBondContact N-O 2.88Å; V58-F70 PolarHBondContact O-N 2.82Å; V58-V138 HydrophobicContact CG1-CG1 4.04Å; V58-Y144 HydrophobicContact CG1-CD2 4.16Å; V58-Y144 HydrophobicContact CG1-CG 4.4Å; V58-E145 CarbonylContact C-O 3.58Å; V58-E145 WeakPolarHBondContact CA-O 3.42Å; V58-F146 HydrophobicContact CG2-CD2 3.83Å; V58-F146 HydrophobicContact CG2-CE2 4.27Å
59	I	94	Very high	79.8	Confident	13 Å²	13	51.7 Å²	51.7	7%	0.067	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	117.1	179.2	-50.5	175	0	0	0	108.9	V57 K67 Q68 I69 Y144 E145 Y154	V57-I59 HydrophobicContact CG1-CD1 4.22Å; V57-I59 HydrophobicContact CG1-CG1 3.78Å; I59-K67 HydrophobicContact CG2-CD 4.47Å; I59-Q68 CarbonylContact C-O 3.54Å; I59-Q68 WeakPolarHBondContact CA-O 3.24Å; I59-I69 HydrophobicContact CG1-CG1 4.37Å; I59-I69 HydrophobicContact CG1-CG2 4.28Å; I59-I69 HydrophobicContact CG2-CG1 4.2Å; I59-Y144 CarbonylContact O-C 3.56Å; I59-Y144 VanDerWaalsContact O-CA 3.24Å; I59-Y144 WeakPolarHBondContact O-CA 3.5Å; I59-Y144 WeakPolarHBondContact O-CB 3.38Å; I59-E145 HydrophobicContact CB-CB 4.21Å; I59-E145 PolarHBondContact N-O 3.23Å; I59-E145 PolarHBondContact O-N 2.84Å; I59-Y154 HydrophobicContact CD1-CE2 4.26Å
60	E	92.3	Very high	81.6	Confident	23 Å²	23	48.2 Å²	48.2	11%	0.107	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.8	168.5	-172	-179.3	-149.6	0	0	108.1	L62 K67 Q68 R137 V138	E60-L62 HydrophobicContact CG-CD2 3.88Å; E60-K67 WeakPolarHBondContact O-CA 3.28Å; E60-Q68 HydrophobicContact CB-CB 4.28Å; E60-Q68 PolarHBondContact N-O 3.49Å; E60-Q68 PolarHBondContact O-N 2.8Å; E60-Q68 PolarHBondContact OE2-OE1 3.01Å; E60-R137 IonicContact OE1-CZ 3.53Å; E60-R137 IonicContact OE1-NH1 3.5Å; E60-R137 PolarHBondContact OE1-NH1 3.25Å; E60-R137 IonicContact OE1-NH2 3.51Å; E60-R137 IonicContact OE2-CZ 2.67Å; E60-R137 IonicContact OE2-NH1 2.75Å; E60-R137 IonicContact OE2-NH2 3.85Å; E60-R137 PolarHBondContact OE2-NH2 2.82Å; E60-V138 HydrophobicContact CB-CG1 3.86Å; E60-V138 HydrophobicContact CB-CG2 4.24Å; E60-V138 VanDerWaalsContact CD-CG2 3.45Å; E60-V138 HydrophobicContact CG-CG1 4.12Å; E60-V138 HydrophobicContact CG-CG2 4.3Å; E60-V138 WeakPolarHBondContact OE2-CG2 3.42Å
61	N	89.7	Confident	83.7	Confident	78 Å²	78	44.1 Å²	44.1	42%	0.417	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	120.7	169.8	-66.4	-62.9	0	0	0	108.1	K67 E145	N61-K67 WeakPolarHBondContact OD1-CE 3.35Å; N61-K67 PolarHBondContact OD1-NZ 3.14Å; N61-E145 PolarHBondContact ND2-OE1 3.08Å
62	L	84.4	Confident	85.4	Confident	57 Å²	57	39.6 Å²	39.6	30%	0.298	22%	0.215	S	C	.	.			trans	-98.6	-176.4	-179.7	-59.3	175.6	0	0	0	110.6	E60 E66 Q68 L81	E60-L62 HydrophobicContact CG-CD2 3.88Å; L62-E66 WeakPolarHBondContact CA-O 3.38Å; L62-E66 HydrophobicContact CB-CB 3.93Å; L62-E66 WeakPolarHBondContact CB-O 3.48Å; L62-E66 HydrophobicContact CD1-CB 4.39Å; L62-E66 PolarHBondContact N-O 2.97Å; L62-Q68 HydrophobicContact CD1-CB 4.14Å; L62-L81 HydrophobicContact CD1-CD1 3.6Å
63	S	78.3	Confident	87	Confident	79 Å²	79	35.3 Å²	35.3	55%	0.552	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-67.3	153.8	174.4	57.9	0	0	0	0	112.5	D65 E66	S63-D65 PolarHBondContact O-N 2.97Å; S63-E66 WeakPolarHBondContact O-CB 3.45Å; S63-E66 WeakPolarHBondContact O-CG 3.45Å; S63-E66 PolarHBondContact O-N 3.14Å
64	N	71.5	Confident	88.4	Confident	94 Å²	94	33.3 Å²	33.3	50%	0.503	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	59.7	39.9	172.5	-49.8	-42.5	0	0	0	115.1	E66 N85	N64-E66 PolarHBondContact O-N 3.36Å; N64-E66 VanDerWaalsContact O-N 3.15Å; N64-N85 HydrophobicContact CB-CB 4.25Å; N64-N85 PolarHBondContact O-ND2 2.96Å
65	D	76.2	Confident	89	Confident	121 Å²	121	32.9 Å²	32.9	65%	0.647	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	63.6	11	-178.6	-47.5	-52.8	0	0	0	114.4	S63 N85	S63-D65 PolarHBondContact O-N 2.97Å; D65-N85 PolarHBondContact OD2-ND2 3.26Å
66	E	84.7	Confident	89.2	Confident	25 Å²	25	31 Å²	31	12%	0.117	17%	0.168	C	C	.	.			trans	-73.5	148	171.8	-61.1	-176.2	160.1	0	0	110.1	L62 S63 N64 T82 S86	L62-E66 WeakPolarHBondContact CA-O 3.38Å; L62-E66 HydrophobicContact CB-CB 3.93Å; L62-E66 WeakPolarHBondContact CB-O 3.48Å; L62-E66 HydrophobicContact CD1-CB 4.39Å; L62-E66 PolarHBondContact N-O 2.97Å; S63-E66 WeakPolarHBondContact O-CB 3.45Å; S63-E66 WeakPolarHBondContact O-CG 3.45Å; S63-E66 PolarHBondContact O-N 3.14Å; N64-E66 PolarHBondContact O-N 3.36Å; N64-E66 VanDerWaalsContact O-N 3.15Å; E66-T82 WeakPolarHBondContact CA-O 3.32Å; E66-T82 VanDerWaalsContact CB-O 3.28Å; E66-T82 WeakPolarHBondContact CB-O 3.37Å; E66-T82 WeakPolarHBondContact CG-O 3.36Å; E66-S86 WeakPolarHBondContact OE1-CB 3.39Å
67	K	90.2	Very high	89.4	Confident	83 Å²	83	31.8 Å²	31.8	36%	0.361	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	144.2	178.3	-61.6	-169.8	179	-159	0	109.7	I59 E60 N61 L81 T82	I59-K67 HydrophobicContact CG2-CD 4.47Å; E60-K67 WeakPolarHBondContact O-CA 3.28Å; N61-K67 WeakPolarHBondContact OD1-CE 3.35Å; N61-K67 PolarHBondContact OD1-NZ 3.14Å; K67-L81 WeakPolarHBondContact O-CA 3.33Å; K67-T82 PolarHBondContact N-OG1 3.29Å; K67-T82 PolarHBondContact O-N 2.81Å; K67-T82 PolarHBondContact O-OG1 3.47Å
68	Q	92.6	Very high	89.6	Confident	14 Å²	14	31.8 Å²	31.8	7%	0.065	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124	167.2	-171.5	171.1	0	0	0	109	I59 E60 L62 F70 I80 L81	I59-Q68 CarbonylContact C-O 3.54Å; I59-Q68 WeakPolarHBondContact CA-O 3.24Å; E60-Q68 HydrophobicContact CB-CB 4.28Å; E60-Q68 PolarHBondContact N-O 3.49Å; E60-Q68 PolarHBondContact O-N 2.8Å; E60-Q68 PolarHBondContact OE2-OE1 3.01Å; L62-Q68 HydrophobicContact CD1-CB 4.14Å; Q68-F70 HydrophobicContact CB-CE2 4.37Å; Q68-F70 HydrophobicContact CG-CD2 4.28Å; Q68-F70 HydrophobicContact CG-CE1 4.36Å; Q68-F70 HydrophobicContact CG-CE2 3.58Å; Q68-F70 HydrophobicContact CG-CZ 3.68Å; Q68-F70 VanDerWaalsContact NE2-CE1 3.31Å; Q68-I80 CarbonylContact C-O 3.27Å; Q68-I80 VanDerWaalsContact CA-O 3.29Å; Q68-I80 WeakPolarHBondContact CA-O 3.41Å; Q68-L81 HydrophobicContact CB-CD1 4.48Å
69	I	95	Very high	89.8	Confident	6 Å²	6	32.9 Å²	32.9	3%	0.031	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	122.3	-178.4	-54	169.6	0	0	0	107.4	V57 V58 I59 Q79 I80 Q160	V57-I69 HydrophobicContact CG1-CG2 3.86Å; V58-I69 CarbonylContact O-C 3.53Å; V58-I69 WeakPolarHBondContact O-CA 3.38Å; I59-I69 HydrophobicContact CG1-CG1 4.37Å; I59-I69 HydrophobicContact CG1-CG2 4.28Å; I59-I69 HydrophobicContact CG2-CG1 4.2Å; I69-Q79 CarbonylContact O-C 3.54Å; I69-Q79 WeakPolarHBondContact O-CA 3.43Å; I69-I80 HydrophobicContact CB-CB 4.22Å; I69-I80 PolarHBondContact N-O 3.02Å; I69-I80 PolarHBondContact O-N 2.88Å; I69-Q160 HydrophobicContact CD1-CG 4.49Å; I69-Q160 HydrophobicContact CG2-CG 4.15Å
70	F	94.8	Very high	89.8	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.2	171.3	-52.7	-97.1	0	0	0	108	V57 V58 Q68 S78 Q79 F131 E134 I135 V138	V57-F70 CarbonylContact C-O 3.45Å; V57-F70 VanDerWaalsContact CA-O 3.3Å; V57-F70 WeakPolarHBondContact CA-O 3.36Å; V58-F70 HydrophobicContact CB-CB 4.26Å; V58-F70 HydrophobicContact CB-CD2 4.22Å; V58-F70 HydrophobicContact CG1-CD2 4.22Å; V58-F70 PolarHBondContact N-O 2.88Å; V58-F70 PolarHBondContact O-N 2.82Å; Q68-F70 HydrophobicContact CB-CE2 4.37Å; Q68-F70 HydrophobicContact CG-CD2 4.28Å; Q68-F70 HydrophobicContact CG-CE1 4.36Å; Q68-F70 HydrophobicContact CG-CE2 3.58Å; Q68-F70 HydrophobicContact CG-CZ 3.68Å; Q68-F70 VanDerWaalsContact NE2-CE1 3.31Å; F70-S78 CarbonylContact C-O 3.35Å; F70-S78 WeakPolarHBondContact CA-O 3.3Å; F70-Q79 HydrophobicContact CD1-CG 4.19Å; F70-Q79 HydrophobicContact CE1-CG 4.12Å; F70-F131 HydrophobicContact CB-CE2 3.78Å; F70-F131 HydrophobicContact CB-CZ 3.89Å; F70-F131 AromaticContact CD1-CD2 3.91Å; F70-F131 HydrophobicContact CD1-CD2 3.91Å; F70-F131 AromaticContact CD1-CE2 3.71Å; F70-F131 HydrophobicContact CD1-CE2 3.71Å; F70-F131 HydrophobicContact CD1-CZ 4.4Å; F70-F131 HydrophobicContact CG-CE2 4.25Å; F70-E134 HydrophobicContact CE1-CB 3.62Å; F70-E134 HydrophobicContact CZ-CB 3.82Å; F70-I135 HydrophobicContact CB-CD1 3.94Å; F70-I135 HydrophobicContact CB-CG1 3.93Å; F70-I135 HydrophobicContact CD1-CD1 4.25Å; F70-I135 HydrophobicContact CD1-CG1 3.66Å; F70-I135 HydrophobicContact CD2-CG1 4.21Å; F70-I135 HydrophobicContact CE1-CG1 4.1Å; F70-I135 HydrophobicContact CG-CD1 4.22Å; F70-I135 HydrophobicContact CG-CG1 3.68Å; F70-V138 HydrophobicContact CE2-CG2 3.86Å; F70-V138 HydrophobicContact CZ-CG2 4.09Å
71	T	95.4	Very high	89.8	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	132.5	177.1	-54.9	0	0	0	0	108.6	F56 V57 W77 S78 M149 M156 L164	F56-T71 WeakPolarHBondContact O-CA 3.33Å; V57-T71 HydrophobicContact CG2-CG2 3.94Å; T71-W77 CarbonylContact O-C 3.6Å; T71-W77 WeakPolarHBondContact O-CA 3.42Å; T71-S78 PolarHBondContact N-O 3.28Å; T71-S78 PolarHBondContact O-N 2.81Å; T71-M149 HydrophobicContact CG2-SD 4.31Å; T71-M156 HydrophobicContact CG2-SD 4.37Å; T71-L164 HydrophobicContact CG2-CD1 3.88Å; T71-L164 HydrophobicContact CG2-CD2 4.01Å; T71-L164 HydrophobicContact CG2-CG 4.22Å
72	Q	92.6	Very high	89.8	Confident	4 Å²	4	30 Å²	30	2%	0.019	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.5	168.9	-178.4	173.1	-17.9	0	0	108	D55 F56 G74 C76 W77 M149	D55-Q72 CarbonylContact C-O 3.57Å; D55-Q72 VanDerWaalsContact CA-O 3.28Å; D55-Q72 WeakPolarHBondContact CA-O 3.37Å; F56-Q72 HydrophobicContact CD1-CB 4.04Å; F56-Q72 HydrophobicContact CE1-CB 3.54Å; F56-Q72 HydrophobicContact CE1-CG 4.23Å; F56-Q72 HydrophobicContact CE2-CB 4.37Å; F56-Q72 HydrophobicContact CZ-CB 3.73Å; F56-Q72 PolarHBondContact N-O 3.06Å; F56-Q72 PolarHBondContact O-N 3.24Å; Q72-G74 PolarHBondContact NE2-O 2.87Å; Q72-C76 CarbonylContact C-O 3.55Å; Q72-C76 WeakPolarHBondContact CA-O 3.4Å; Q72-W77 VanDerWaalsContact CD-NE1 3.27Å; Q72-M149 VanDerWaalsContact O-SD 3.42Å
73	N	92.2	Very high	89.6	Confident	27 Å²	27	27.5 Å²	27.5	14%	0.144	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	107.7	173.4	179.5	-10.9	0	0	0	108	D55 S75 C76 M149 L164	D55-N73 WeakPolarHBondContact OD1-CA 3.16Å; D55-N73 PolarHBondContact OD1-OD1 3Å; N73-S75 PolarHBondContact O-N 3.31Å; N73-C76 PolarHBondContact N-O 2.97Å; N73-C76 WeakPolarHBondContact O-CB 3.29Å; N73-C76 PolarHBondContact O-N 3.44Å; N73-M149 HydrophobicContact CB-CE 4.04Å; N73-M149 HydrophobicContact CB-SD 3.7Å; N73-M149 WeakPolarHBondContact ND2-CE 3.38Å; N73-L164 HydrophobicContact CB-CD1 3.72Å; N73-L164 HydrophobicContact CB-CD2 4.04Å; N73-L164 HydrophobicContact CB-CG 4.48Å
74	G	89.3	Confident	89.1	Confident	7 Å²	7	26.3 Å²	26.3	7%	0.072	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	-127.4	-172.5	0	0	0	0	0	111.4	P53 D55 Q72 C76	P53-G74 VanDerWaalsContact CB-C 3.48Å; P53-G74 WeakPolarHBondContact CB-O 3.4Å; D55-G74 PolarHBondContact OD1-N 3.01Å; Q72-G74 PolarHBondContact NE2-O 2.87Å; G74-C76 VanDerWaalsContact C-N 3.32Å
75	S	89.5	Confident	88.7	Confident	17 Å²	17	26.3 Å²	26.3	12%	0.119	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	25.2	173.1	-52.5	0	0	0	0	113.5	N73 W77 N98 E99	N73-S75 PolarHBondContact O-N 3.31Å; S75-W77 WeakPolarHBondContact O-CZ3 3.42Å; S75-N98 WeakPolarHBondContact O-CA 3.48Å; S75-E99 PolarHBondContact OG-OE1 2.93Å
76	C	94	Very high	87.7	Confident	2 Å²	2	20.7 Å²	20.7	1%	0.014	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.1	170.7	-83.5	0	0	0	0	110	C25 Q72 N73 G74 A97 L164	C25-C76 HydrophobicContact CB-CB 3.85Å; C25-C76 WeakPolarHBondContact CB-SG 3.47Å; C25-C76 WeakPolarHBondContact SG-CB 3.37Å; C25-C76 CovalentContact SG-SG 2.02Å; C25-C76 PolarHBondContact SG-SG 3.19Å; Q72-C76 CarbonylContact C-O 3.55Å; Q72-C76 WeakPolarHBondContact CA-O 3.4Å; N73-C76 PolarHBondContact N-O 2.97Å; N73-C76 WeakPolarHBondContact O-CB 3.29Å; N73-C76 PolarHBondContact O-N 3.44Å; G74-C76 VanDerWaalsContact C-N 3.32Å; C76-A97 CarbonylContact C-O 3.38Å; C76-A97 WeakPolarHBondContact CA-O 3.41Å; C76-L164 HydrophobicContact CB-CD2 4.01Å; C76-L164 PolarHBondContact SG-O 2.94Å
77	W	95.2	Very high	86.6	Confident	18 Å²	18	20 Å²	20	7%	0.068	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145.4	-179.7	-58.6	-86.8	0	0	0	109.6	L50 T71 Q72 S75 S96 A97 F127 V128 F131	L50-W77 HydrophobicContact CD2-CZ2 3.81Å; T71-W77 CarbonylContact O-C 3.6Å; T71-W77 WeakPolarHBondContact O-CA 3.42Å; Q72-W77 VanDerWaalsContact CD-NE1 3.27Å; S75-W77 WeakPolarHBondContact O-CZ3 3.42Å; W77-S96 CarbonylContact O-C 3.58Å; W77-S96 WeakPolarHBondContact O-CA 3.34Å; W77-A97 HydrophobicContact CE3-CB 4.33Å; W77-A97 PolarHBondContact N-O 3.34Å; W77-A97 PolarHBondContact O-N 2.7Å; W77-F127 HydrophobicContact CB-CE1 3.72Å; W77-F127 HydrophobicContact CB-CZ 4.47Å; W77-V128 HydrophobicContact CD2-CG2 3.88Å; W77-V128 HydrophobicContact CE3-CG2 3.87Å; W77-V128 HydrophobicContact CH2-CG2 4.21Å; W77-V128 HydrophobicContact CZ2-CG2 4.22Å; W77-V128 HydrophobicContact CZ3-CG2 4.02Å; W77-F131 HydrophobicContact CB-CZ 4.47Å; W77-F131 AromaticContact CD1-CD1 3.92Å; W77-F131 AromaticContact CD1-CE1 3.68Å; W77-F131 HydrophobicContact CG-CE1 4.49Å
78	S	97.2	Very high	85.2	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	132.8	178.9	171.5	0	0	0	0	111.1	F70 T71 I95 F131 S163	F70-S78 CarbonylContact C-O 3.35Å; F70-S78 WeakPolarHBondContact CA-O 3.3Å; T71-S78 PolarHBondContact N-O 3.28Å; T71-S78 PolarHBondContact O-N 2.81Å; S78-I95 CarbonylContact C-O 3.59Å; S78-I95 WeakPolarHBondContact CA-O 3.35Å; S78-F131 WeakPolarHBondContact O-CE2 3.29Å; S78-S163 WeakPolarHBondContact CB-OG 3.34Å; S78-S163 WeakPolarHBondContact OG-CB 3.46Å; S78-S163 PolarHBondContact OG-OG 3.25Å
79	Q	96.4	Very high	84.1	Confident	22 Å²	22	24 Å²	24	10%	0.103	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	116.9	171	-178.7	-174.5	-6	0	0	108.8	I69 F70 V94 I95 F131	I69-Q79 CarbonylContact O-C 3.54Å; I69-Q79 WeakPolarHBondContact O-CA 3.43Å; F70-Q79 HydrophobicContact CD1-CG 4.19Å; F70-Q79 HydrophobicContact CE1-CG 4.12Å; Q79-V94 WeakPolarHBondContact O-CA 3.41Å; Q79-I95 PolarHBondContact N-O 3.35Å; Q79-I95 PolarHBondContact O-N 3.32Å; Q79-F131 HydrophobicContact CB-CD2 4.36Å
80	I	95.2	Very high	83.3	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.7	177.3	-51.8	169.5	0	0	0	108.5	Q68 I69 T82 L93 V94 M159 Q160	Q68-I80 CarbonylContact C-O 3.27Å; Q68-I80 VanDerWaalsContact CA-O 3.29Å; Q68-I80 WeakPolarHBondContact CA-O 3.41Å; I69-I80 HydrophobicContact CB-CB 4.22Å; I69-I80 PolarHBondContact N-O 3.02Å; I69-I80 PolarHBondContact O-N 2.88Å; I80-T82 HydrophobicContact CG2-CG2 4.25Å; I80-L93 CarbonylContact C-O 3.36Å; I80-L93 WeakPolarHBondContact CA-O 3.16Å; I80-V94 HydrophobicContact CB-CG2 4.49Å; I80-V94 HydrophobicContact CG1-CG1 4.23Å; I80-V94 HydrophobicContact CG1-CG2 4.19Å; I80-V94 HydrophobicContact CG2-CG2 4.01Å; I80-M159 HydrophobicContact CD1-CE 4.25Å; I80-M159 HydrophobicContact CD1-CG 4.1Å; I80-M159 HydrophobicContact CG2-CE 3.43Å; I80-M159 VanDerWaalsContact CG2-CE 3.43Å; I80-M159 HydrophobicContact CG2-SD 3.77Å; I80-Q160 HydrophobicContact CD1-CB 4.47Å; I80-Q160 HydrophobicContact CD1-CG 3.89Å
81	L	92.5	Very high	82.9	Confident	35 Å²	35	24.7 Å²	24.7	18%	0.183	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	114.2	171.1	176.3	64.8	0	0	0	109	L62 K67 Q68 L83 S92 L93	L62-L81 HydrophobicContact CD1-CD1 3.6Å; K67-L81 WeakPolarHBondContact O-CA 3.33Å; Q68-L81 HydrophobicContact CB-CD1 4.48Å; L81-L83 HydrophobicContact CD1-CD2 4.42Å; L81-L83 HydrophobicContact CD2-CD2 3.97Å; L81-L83 HydrophobicContact CG-CD2 3.88Å; L81-L83 HydrophobicContact CG-CG 4.27Å; L81-S92 CarbonylContact O-C 3.58Å; L81-S92 VanDerWaalsContact O-CA 3.29Å; L81-S92 WeakPolarHBondContact O-CA 3.21Å; L81-L93 HydrophobicContact CB-CB 4.4Å; L81-L93 PolarHBondContact N-O 3.15Å; L81-L93 PolarHBondContact O-N 2.83Å
82	T	88	Confident	82.6	Confident	20 Å²	20	25.3 Å²	25.3	12%	0.123	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129	179	62.7	0	0	0	0	111	E66 K67 I80 M159	E66-T82 WeakPolarHBondContact CA-O 3.32Å; E66-T82 VanDerWaalsContact CB-O 3.28Å; E66-T82 WeakPolarHBondContact CB-O 3.37Å; E66-T82 WeakPolarHBondContact CG-O 3.36Å; K67-T82 PolarHBondContact N-OG1 3.29Å; K67-T82 PolarHBondContact O-N 2.81Å; K67-T82 PolarHBondContact O-OG1 3.47Å; I80-T82 HydrophobicContact CG2-CG2 4.25Å; T82-M159 HydrophobicContact CG2-CE 3.96Å
83	L	80.1	Confident	82.6	Confident	4 Å²	4	27.7 Å²	27.7	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	52	-171.3	-59.6	170.8	0	0	0	112.1	L81 S86 T87 V91 L218	L81-L83 HydrophobicContact CD1-CD2 4.42Å; L81-L83 HydrophobicContact CD2-CD2 3.97Å; L81-L83 HydrophobicContact CG-CD2 3.88Å; L81-L83 HydrophobicContact CG-CG 4.27Å; L83-S86 WeakPolarHBondContact O-CB 3.35Å; L83-S86 PolarHBondContact O-N 3.42Å; L83-T87 HydrophobicContact CB-CG2 4.49Å; L83-T87 PolarHBondContact O-N 3.32Å; L83-T87 PolarHBondContact O-OG1 2.92Å; L83-V91 WeakPolarHBondContact CA-O 3.29Å; L83-V91 HydrophobicContact CB-CG2 4.13Å; L83-V91 VanDerWaalsContact CB-O 3.29Å; L83-V91 WeakPolarHBondContact CB-O 3.44Å; L83-V91 HydrophobicContact CD1-CG2 3.95Å; L83-V91 PolarHBondContact N-O 2.82Å; L83-L218 HydrophobicContact CD1-CD1 3.78Å; L83-L218 HydrophobicContact CD1-CD2 3.55Å; L83-L218 HydrophobicContact CD1-CG 3.71Å; L83-L218 HydrophobicContact CD2-CD2 4.11Å
84	S	67.8	Low	82.7	Confident	53 Å²	53	26.5 Å²	26.5	37%	0.371	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-54.3	-166.8	-53.2	0	0	0	0	114.7	S86	S84-S86 PolarHBondContact O-N 3.19Å
85	N	63.1	Low	83.1	Confident	94 Å²	94	27.1 Å²	27.1	50%	0.503	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-9.4	177	-72.2	-35.3	0	0	0	112.7	N64 D65	N64-N85 HydrophobicContact CB-CB 4.25Å; N64-N85 PolarHBondContact O-ND2 2.96Å; D65-N85 PolarHBondContact OD2-ND2 3.26Å
86	S	55.9	Low	83.5	Confident	3 Å²	3	26.3 Å²	26.3	2%	0.021	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-19	-173.7	153	0	0	0	0	112.5	E66 L83 S84 R216 F217	E66-S86 WeakPolarHBondContact OE1-CB 3.39Å; L83-S86 WeakPolarHBondContact O-CB 3.35Å; L83-S86 PolarHBondContact O-N 3.42Å; S84-S86 PolarHBondContact O-N 3.19Å; S86-R216 CarbonylContact O-C 3.58Å; S86-R216 WeakPolarHBondContact O-CA 3.5Å; S86-R216 WeakPolarHBondContact O-CB 3.41Å; S86-F217 WeakPolarHBondContact O-CD2 3.17Å; S86-F217 PolarHBondContact O-N 2.88Å; S86-F217 WeakPolarHBondContact OG-CA 3.18Å; S86-F217 WeakPolarHBondContact OG-CB 3.48Å; S86-F217 PolarHBondContact OG-N 2.99Å
87	T	60.9	Low	83.7	Confident	12 Å²	12	26.2 Å²	26.2	7%	0.074	15%	0.149	C	C	.	.	S	Bend	trans	-140.1	144.9	-175	46.8	0	0	0	0	110.4	L83 P89 G90 V91 R216	L83-T87 HydrophobicContact CB-CG2 4.49Å; L83-T87 PolarHBondContact O-N 3.32Å; L83-T87 PolarHBondContact O-OG1 2.92Å; T87-P89 CarbonylContact C-O 3.59Å; T87-P89 VanDerWaalsContact CB-O 3.28Å; T87-P89 WeakPolarHBondContact CB-O 3.01Å; T87-P89 CarbonylContact O-C 3.42Å; T87-P89 VanDerWaalsContact O-C 3.27Å; T87-P89 PolarHBondContact OG1-O 3.13Å; T87-G90 PolarHBondContact O-N 3.33Å; T87-G90 WeakPolarHBondContact OG1-CA 3.35Å; T87-V91 HydrophobicContact CG2-CG1 4.44Å; T87-V91 HydrophobicContact CG2-CG2 3.69Å; T87-V91 PolarHBondContact OG1-N 2.95Å; T87-R216 HydrophobicContact CG2-CB 3.66Å; T87-R216 HydrophobicContact CG2-CG 3.78Å
88	D	62	Low	83.6	Confident	139 Å²	139	26 Å²	26	74%	0.743	15%	0.15	S	C	*	.	S	Bend	trans	-120.4	113.8	167.3	-172.7	14.7	0	0	0	109	R216	D88-R216 PolarHBondContact O-NH2 3.39Å
89	P	68.6	Low	83.4	Confident	42 Å²	42	30 Å²	30	27%	0.273	17%	0.168	S	C	.	.	S	Bend	cis	-68.5	162.9	-9.9	31.2	-34.4	0	0	0	111.8	T87 R108	T87-P89 CarbonylContact C-O 3.59Å; T87-P89 VanDerWaalsContact CB-O 3.28Å; T87-P89 WeakPolarHBondContact CB-O 3.01Å; T87-P89 CarbonylContact O-C 3.42Å; T87-P89 VanDerWaalsContact O-C 3.27Å; T87-P89 PolarHBondContact OG1-O 3.13Å; P89-R108 HydrophobicContact CB-CG 4.35Å; P89-R108 HydrophobicContact CG-CG 3.98Å
90	G	79.6	Confident	83.2	Confident	10 Å²	10	37.6 Å²	37.6	10%	0.103	20%	0.196	C	C	.	.			trans	-51.6	139.3	173.9	0	0	0	0	0	112.7	T87 I109	T87-G90 PolarHBondContact O-N 3.33Å; T87-G90 WeakPolarHBondContact OG1-CA 3.35Å; G90-I109 PolarHBondContact O-N 3.27Å
91	V	86.1	Confident	83.2	Confident	9 Å²	9	37.9 Å²	37.9	6%	0.055	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	159.8	176.3	-50.7	0	0	0	0	111.6	L83 T87 I106 Y107 L114	L83-V91 WeakPolarHBondContact CA-O 3.29Å; L83-V91 HydrophobicContact CB-CG2 4.13Å; L83-V91 VanDerWaalsContact CB-O 3.29Å; L83-V91 WeakPolarHBondContact CB-O 3.44Å; L83-V91 HydrophobicContact CD1-CG2 3.95Å; L83-V91 PolarHBondContact N-O 2.82Å; T87-V91 HydrophobicContact CG2-CG1 4.44Å; T87-V91 HydrophobicContact CG2-CG2 3.69Å; T87-V91 PolarHBondContact OG1-N 2.95Å; V91-I106 HydrophobicContact CB-CG2 4.17Å; V91-I106 HydrophobicContact CG2-CG2 4.43Å; V91-Y107 CarbonylContact C-O 3.58Å; V91-Y107 WeakPolarHBondContact CA-O 3.49Å; V91-Y107 VanDerWaalsContact CB-O 3.29Å; V91-Y107 WeakPolarHBondContact CB-O 3.43Å; V91-L114 HydrophobicContact CG1-CD1 3.96Å
92	S	89.1	Confident	83.5	Confident	13 Å²	13	36.2 Å²	36.2	9%	0.091	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131	172.1	-61.9	0	0	0	0	109.6	L81 I106 Y107	L81-S92 CarbonylContact O-C 3.58Å; L81-S92 VanDerWaalsContact O-CA 3.29Å; L81-S92 WeakPolarHBondContact O-CA 3.21Å; S92-I106 WeakPolarHBondContact O-CA 3.39Å; S92-Y107 PolarHBondContact N-O 2.91Å; S92-Y107 PolarHBondContact O-N 3.44Å
93	L	91.9	Very high	84	Confident	55 Å²	55	35.3 Å²	35.3	29%	0.288	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	122.4	166.6	175.1	65.4	0	0	0	108.2	I80 L81 I95 I106	I80-L93 CarbonylContact C-O 3.36Å; I80-L93 WeakPolarHBondContact CA-O 3.16Å; L81-L93 HydrophobicContact CB-CB 4.4Å; L81-L93 PolarHBondContact N-O 3.15Å; L81-L93 PolarHBondContact O-N 2.83Å; L93-I95 HydrophobicContact CD1-CG1 4.48Å; L93-I95 HydrophobicContact CD2-CD1 4.5Å; L93-I95 HydrophobicContact CG-CG1 4.32Å; L93-I106 HydrophobicContact CD1-CG1 4.26Å
94	V	95.4	Very high	84.7	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.7	179.7	179.5	0	0	0	0	108.4	Q79 I80 K104 S105 Y107 M159	Q79-V94 WeakPolarHBondContact O-CA 3.41Å; I80-V94 HydrophobicContact CB-CG2 4.49Å; I80-V94 HydrophobicContact CG1-CG1 4.23Å; I80-V94 HydrophobicContact CG1-CG2 4.19Å; I80-V94 HydrophobicContact CG2-CG2 4.01Å; V94-K104 CarbonylContact O-C 3.55Å; V94-K104 WeakPolarHBondContact O-CA 3.37Å; V94-S105 PolarHBondContact N-O 2.87Å; V94-S105 PolarHBondContact O-N 3.26Å; V94-Y107 HydrophobicContact CB-CD2 4.05Å; V94-Y107 HydrophobicContact CB-CE2 3.98Å; V94-Y107 HydrophobicContact CG1-CE2 4.45Å; V94-Y107 HydrophobicContact CG2-CD2 3.64Å; V94-Y107 HydrophobicContact CG2-CE2 3.98Å; V94-M159 HydrophobicContact CG2-CG 4.49Å; V94-M159 HydrophobicContact CG2-SD 4.3Å
95	I	97.4	Very high	86	Confident	20 Å²	20	36.6 Å²	36.6	10%	0.103	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	111.8	173.9	-47.3	178.6	0	0	0	107.9	S78 Q79 L93 V102 V103 K104 F127	S78-I95 CarbonylContact C-O 3.59Å; S78-I95 WeakPolarHBondContact CA-O 3.35Å; Q79-I95 PolarHBondContact N-O 3.35Å; Q79-I95 PolarHBondContact O-N 3.32Å; L93-I95 HydrophobicContact CD1-CG1 4.48Å; L93-I95 HydrophobicContact CD2-CD1 4.5Å; L93-I95 HydrophobicContact CG-CG1 4.32Å; I95-V102 HydrophobicContact CG2-CG1 3.69Å; I95-V103 WeakPolarHBondContact CA-O 3.36Å; I95-K104 HydrophobicContact CB-CG 4.5Å; I95-K104 HydrophobicContact CG1-CG 4.15Å; I95-K104 HydrophobicContact CG2-CG 3.86Å; I95-F127 HydrophobicContact CB-CE2 3.79Å; I95-F127 HydrophobicContact CB-CZ 4.41Å; I95-F127 HydrophobicContact CG2-CD2 3.57Å; I95-F127 HydrophobicContact CG2-CE2 3.19Å; I95-F127 HydrophobicContact CG2-CZ 3.97Å
96	S	97.8	Very high	87.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	136.1	-175.4	-68.6	0	0	0	0	109.7	W77 V102 V103 S163 Q169	W77-S96 CarbonylContact O-C 3.58Å; W77-S96 WeakPolarHBondContact O-CA 3.34Å; S96-V102 CarbonylContact O-C 3.59Å; S96-V102 WeakPolarHBondContact O-CA 3.44Å; S96-V103 PolarHBondContact N-O 2.94Å; S96-V103 PolarHBondContact O-N 2.67Å; S96-S163 WeakPolarHBondContact CB-O 3.49Å; S96-S163 PolarHBondContact OG-O 3.38Å; S96-Q169 VanDerWaalsContact CB-OE1 3.24Å; S96-Q169 PolarHBondContact OG-NE2 2.75Å; S96-Q169 VanDerWaalsContact OG-NE2 3.07Å; S96-Q169 PolarHBondContact OG-OE1 3.34Å
97	A	96.8	Very high	89	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	145	179.8	0	0	0	0	0	112.1	C76 W77 T101 V102 F127	C76-A97 CarbonylContact C-O 3.38Å; C76-A97 WeakPolarHBondContact CA-O 3.41Å; W77-A97 HydrophobicContact CE3-CB 4.33Å; W77-A97 PolarHBondContact N-O 3.34Å; W77-A97 PolarHBondContact O-N 2.7Å; A97-T101 WeakPolarHBondContact CA-O 3.28Å; A97-V102 HydrophobicContact CB-CB 4.24Å; A97-V102 HydrophobicContact CB-CG1 4.38Å; A97-V102 HydrophobicContact CB-CG2 3.6Å; A97-F127 HydrophobicContact CB-CD1 3.29Å; A97-F127 HydrophobicContact CB-CE1 3.4Å; A97-F127 VanDerWaalsContact CB-CE1 3.4Å; A97-F127 HydrophobicContact CB-CG 4.17Å; A97-F127 HydrophobicContact CB-CZ 4.35Å
98	N	94.7	Very high	90.3	Very high	14 Å²	14	37.4 Å²	37.4	8%	0.075	18%	0.179	C	C	.	.			trans	-122.6	-173.3	161.7	66.5	17.1	0	0	0	108.3	S75 R100 T101 V124 V166 D167	S75-N98 WeakPolarHBondContact O-CA 3.48Å; N98-R100 PolarHBondContact O-N 3.17Å; N98-R100 PolarHBondContact OD1-N 3.16Å; N98-T101 PolarHBondContact N-O 3.19Å; N98-T101 PolarHBondContact OD1-N 3.49Å; N98-T101 PolarHBondContact OD1-O 2.88Å; N98-V124 WeakPolarHBondContact O-CG1 3.48Å; N98-V124 WeakPolarHBondContact O-CG2 3.29Å; N98-V166 HydrophobicContact CB-CB 4.18Å; N98-V166 HydrophobicContact CB-CG1 4.33Å; N98-V166 HydrophobicContact CB-CG2 4.07Å; N98-D167 PolarHBondContact ND2-OD1 3.31Å
99	E	91.5	Very high	91.3	Very high	83 Å²	83	36.4 Å²	36.4	39%	0.388	17%	0.173	S	C	.	.	S	Bend	trans	-60.9	-14.4	-178.9	-58.8	-176.7	139.7	0	0	115	V22 S75	V22-E99 VanDerWaalsContact CG1-CD 3.41Å; V22-E99 WeakPolarHBondContact CG1-OE1 3.4Å; V22-E99 WeakPolarHBondContact CG1-OE2 3.26Å; V22-E99 VanDerWaalsContact CG2-OE1 3.28Å; V22-E99 WeakPolarHBondContact CG2-OE1 3.48Å; S75-E99 PolarHBondContact OG-OE1 2.93Å
100	R	93	Very high	92	Very high	182 Å²	182	38.7 Å²	38.7	69%	0.687	18%	0.183	S	C	*	.	S	Bend	trans	-115.4	-26.3	-171	-60.2	-177.7	-179.7	-154.7	-1.3	113.7	N98 E121	N98-R100 PolarHBondContact O-N 3.17Å; N98-R100 PolarHBondContact OD1-N 3.16Å; R100-E121 WeakPolarHBondContact O-CA 3.42Å; R100-E121 PolarHBondContact O-N 3.33Å
101	T	96.3	Very high	92.4	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.031	20%	0.196	C	C	.	.			trans	-153.9	140.7	-165.7	-62.8	0	0	0	0	110	A97 N98 V103 I118 L119 K170	A97-T101 WeakPolarHBondContact CA-O 3.28Å; N98-T101 PolarHBondContact N-O 3.19Å; N98-T101 PolarHBondContact OD1-N 3.49Å; N98-T101 PolarHBondContact OD1-O 2.88Å; T101-V103 HydrophobicContact CG2-CG2 3.91Å; T101-I118 HydrophobicContact CG2-CG2 3.63Å; T101-L119 WeakPolarHBondContact CA-O 3.38Å; T101-L119 WeakPolarHBondContact CG2-O 3.35Å; T101-K170 HydrophobicContact CG2-CD 4.21Å; T101-K170 PolarHBondContact OG1-NZ 3.13Å
102	V	97.7	Very high	92.5	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.2	164.9	178.1	0	0	0	0	107.6	I95 S96 A97 L119 V124 F127	I95-V102 HydrophobicContact CG2-CG1 3.69Å; S96-V102 CarbonylContact O-C 3.59Å; S96-V102 WeakPolarHBondContact O-CA 3.44Å; A97-V102 HydrophobicContact CB-CB 4.24Å; A97-V102 HydrophobicContact CB-CG1 4.38Å; A97-V102 HydrophobicContact CB-CG2 3.6Å; V102-L119 HydrophobicContact CB-CB 4.18Å; V102-L119 HydrophobicContact CB-CD1 4.47Å; V102-L119 HydrophobicContact CG1-CD1 4.42Å; V102-L119 PolarHBondContact N-O 2.64Å; V102-L119 PolarHBondContact O-N 3.39Å; V102-V124 HydrophobicContact CG2-CB 4.45Å; V102-V124 HydrophobicContact CG2-CG2 4.02Å; V102-F127 HydrophobicContact CG1-CB 4.47Å; V102-F127 HydrophobicContact CG1-CD2 4.27Å; V102-F127 HydrophobicContact CG1-CG 4.23Å; V102-F127 HydrophobicContact CG2-CB 3.78Å; V102-F127 HydrophobicContact CG2-CD1 4.35Å; V102-F127 HydrophobicContact CG2-CG 4.08Å
103	V	98.1	Very high	92.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.5	173.9	-172.3	0	0	0	0	107.8	I95 S96 T101 D117 V166 Q169 K170	I95-V103 WeakPolarHBondContact CA-O 3.36Å; S96-V103 PolarHBondContact N-O 2.94Å; S96-V103 PolarHBondContact O-N 2.67Å; T101-V103 HydrophobicContact CG2-CG2 3.91Å; V103-D117 WeakPolarHBondContact CA-O 3.31Å; V103-V166 HydrophobicContact CG2-CG1 4.05Å; V103-Q169 HydrophobicContact CB-CB 4.44Å; V103-Q169 HydrophobicContact CG1-CB 4.11Å; V103-K170 HydrophobicContact CG2-CB 4.13Å
104	K	96.4	Very high	92.5	Very high	85 Å²	85	44.3 Å²	44.3	37%	0.37	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	128	169.3	-64.4	174.9	-179.9	175.2	0	107	V94 I95 C116 D117 L119	V94-K104 CarbonylContact O-C 3.55Å; V94-K104 WeakPolarHBondContact O-CA 3.37Å; I95-K104 HydrophobicContact CB-CG 4.5Å; I95-K104 HydrophobicContact CG1-CG 4.15Å; I95-K104 HydrophobicContact CG2-CG 3.86Å; K104-C116 CarbonylContact O-C 3.56Å; K104-C116 WeakPolarHBondContact O-CA 2.98Å; K104-C116 WeakPolarHBondContact O-CB 3.45Å; K104-D117 HydrophobicContact CB-CB 4.36Å; K104-D117 PolarHBondContact N-O 3.48Å; K104-D117 PolarHBondContact O-N 3.24Å; K104-L119 HydrophobicContact CD-CD1 4.25Å
105	S	95.1	Very high	92.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	143.5	-176.4	-60.2	0	0	0	0	110.2	V94 D115	V94-S105 PolarHBondContact N-O 2.87Å; V94-S105 PolarHBondContact O-N 3.26Å; S105-D115 CarbonylContact C-O 3.59Å; S105-D115 WeakPolarHBondContact CA-O 3.28Å
106	I	91.3	Very high	92.2	Very high	45 Å²	45	44.8 Å²	44.8	23%	0.231	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	116.8	168.9	-58.8	176.9	0	0	0	106.8	V91 S92 L93 L114 D115 A272	V91-I106 HydrophobicContact CB-CG2 4.17Å; V91-I106 HydrophobicContact CG2-CG2 4.43Å; S92-I106 WeakPolarHBondContact O-CA 3.39Å; L93-I106 HydrophobicContact CD1-CG1 4.26Å; I106-L114 HydrophobicContact CG2-CB 4.34Å; I106-L114 HydrophobicContact CG2-CD1 4.12Å; I106-L114 WeakPolarHBondContact O-CB 3.22Å; I106-L114 PolarHBondContact O-N 2.93Å; I106-D115 HydrophobicContact CB-CB 4.28Å; I106-D115 HydrophobicContact CD1-CB 4.29Å; I106-D115 PolarHBondContact N-O 3.47Å; I106-D115 PolarHBondContact O-N 2.88Å; I106-A272 HydrophobicContact CG2-CB 4.31Å
107	Y	90.6	Very high	92	Very high	14 Å²	14	49.2 Å²	49.2	6%	0.055	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	147.2	174.5	-68	-85.1	0	0	0	110.2	V91 S92 V94 Q112 L113	V91-Y107 CarbonylContact C-O 3.58Å; V91-Y107 WeakPolarHBondContact CA-O 3.49Å; V91-Y107 VanDerWaalsContact CB-O 3.29Å; V91-Y107 WeakPolarHBondContact CB-O 3.43Å; S92-Y107 PolarHBondContact N-O 2.91Å; S92-Y107 PolarHBondContact O-N 3.44Å; V94-Y107 HydrophobicContact CB-CD2 4.05Å; V94-Y107 HydrophobicContact CB-CE2 3.98Å; V94-Y107 HydrophobicContact CG1-CE2 4.45Å; V94-Y107 HydrophobicContact CG2-CD2 3.64Å; V94-Y107 HydrophobicContact CG2-CE2 3.98Å; Y107-Q112 CarbonylContact C-O 3.53Å; Y107-Q112 WeakPolarHBondContact CA-O 3.1Å; Y107-L113 HydrophobicContact CD1-CB 4.23Å; Y107-L113 HydrophobicContact CD1-CD1 4.16Å; Y107-L113 HydrophobicContact CE1-CB 3.89Å; Y107-L113 HydrophobicContact CE1-CD1 3.64Å; Y107-L113 HydrophobicContact CE1-CG 4.36Å; Y107-L113 HydrophobicContact CE2-CD1 4.23Å
108	R	86.7	Confident	92	Very high	66 Å²	66	51.6 Å²	51.6	25%	0.249	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	163.6	163.7	-170.3	166.3	70.3	-166.5	1.7	109.5	P89 D110 D111 Q112 L114	P89-R108 HydrophobicContact CB-CG 4.35Å; P89-R108 HydrophobicContact CG-CG 3.98Å; R108-D110 VanDerWaalsContact CB-OD1 3.3Å; R108-D110 WeakPolarHBondContact CB-OD1 3.42Å; R108-D110 WeakPolarHBondContact CG-OD1 3.09Å; R108-D110 IonicContact CZ-OD1 3.26Å; R108-D110 IonicContact CZ-OD2 3.75Å; R108-D110 VanDerWaalsContact NE-CG 3.33Å; R108-D110 IonicContact NE-OD1 3.88Å; R108-D110 PolarHBondContact NE-OD1 2.79Å; R108-D110 IonicContact NE-OD2 2.72Å; R108-D110 PolarHBondContact NE-OD2 2.71Å; R108-D110 IonicContact NH2-OD1 2.68Å; R108-D110 PolarHBondContact NH2-OD1 3.26Å; R108-D110 IonicContact NH2-OD2 2.83Å; R108-D110 PolarHBondContact NH2-OD2 3.24Å; R108-D110 PolarHBondContact O-N 2.82Å; R108-D111 PolarHBondContact O-N 3.31Å; R108-Q112 HydrophobicContact CB-CB 4.26Å; R108-Q112 PolarHBondContact N-O 2.88Å; R108-Q112 VanDerWaalsContact NH1-OE1 3.1Å; R108-L114 HydrophobicContact CB-CD1 3.69Å; R108-L114 HydrophobicContact CB-CD2 3.99Å; R108-L114 HydrophobicContact CB-CG 3.93Å; R108-L114 HydrophobicContact CG-CD1 4.49Å
109	I	82.5	Confident	92	Very high	119 Å²	119	53.2 Å²	53.2	61%	0.61	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-19.8	176.5	-161.2	168.9	0	0	0	115.1	G90	G90-I109 PolarHBondContact O-N 3.27Å
110	D	83.6	Confident	91.9	Very high	90 Å²	90	51.4 Å²	51.4	48%	0.481	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	24.6	176	67.8	-21.2	0	0	0	113.3	R108 Q112	R108-D110 VanDerWaalsContact CB-OD1 3.3Å; R108-D110 WeakPolarHBondContact CB-OD1 3.42Å; R108-D110 WeakPolarHBondContact CG-OD1 3.09Å; R108-D110 IonicContact CZ-OD1 3.26Å; R108-D110 IonicContact CZ-OD2 3.75Å; R108-D110 VanDerWaalsContact NE-CG 3.33Å; R108-D110 IonicContact NE-OD1 3.88Å; R108-D110 PolarHBondContact NE-OD1 2.79Å; R108-D110 IonicContact NE-OD2 2.72Å; R108-D110 PolarHBondContact NE-OD2 2.71Å; R108-D110 IonicContact NH2-OD1 2.68Å; R108-D110 PolarHBondContact NH2-OD1 3.26Å; R108-D110 IonicContact NH2-OD2 2.83Å; R108-D110 PolarHBondContact NH2-OD2 3.24Å; R108-D110 PolarHBondContact O-N 2.82Å; D110-Q112 PolarHBondContact O-N 2.82Å; D110-Q112 VanDerWaalsContact O-N 3.1Å; D110-Q112 WeakPolarHBondContact OD1-CB 3.07Å; D110-Q112 PolarHBondContact OD1-N 3.48Å
111	D	87.7	Confident	91.6	Very high	74 Å²	74	49.7 Å²	49.7	40%	0.396	26%	0.257	S	S	.	.	S	Bend	trans	61.6	13.1	-178.7	-57.4	-35.3	0	0	0	114.6	R108 L113	R108-D111 PolarHBondContact O-N 3.31Å; D111-L113 PolarHBondContact O-N 2.82Å
112	Q	89	Confident	91.3	Very high	93 Å²	93	52.6 Å²	52.6	44%	0.435	29%	0.287	S	S	.	.			trans	-69.8	123.6	171.8	-174.2	178.7	18.7	0	0	110.4	Y107 R108 D110 L114	Y107-Q112 CarbonylContact C-O 3.53Å; Y107-Q112 WeakPolarHBondContact CA-O 3.1Å; R108-Q112 HydrophobicContact CB-CB 4.26Å; R108-Q112 PolarHBondContact N-O 2.88Å; R108-Q112 VanDerWaalsContact NH1-OE1 3.1Å; D110-Q112 PolarHBondContact O-N 2.82Å; D110-Q112 VanDerWaalsContact O-N 3.1Å; D110-Q112 WeakPolarHBondContact OD1-CB 3.07Å; D110-Q112 PolarHBondContact OD1-N 3.48Å; Q112-L114 HydrophobicContact CG-CD2 4.3Å; Q112-L114 PolarHBondContact O-N 2.8Å
113	L	91.8	Very high	91	Very high	28 Å²	28	55.9 Å²	55.9	15%	0.147	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	115.2	168.8	-174.4	66.6	0	0	0	109.8	Y107 D111 C116 Q172 L176	Y107-L113 HydrophobicContact CD1-CB 4.23Å; Y107-L113 HydrophobicContact CD1-CD1 4.16Å; Y107-L113 HydrophobicContact CE1-CB 3.89Å; Y107-L113 HydrophobicContact CE1-CD1 3.64Å; Y107-L113 HydrophobicContact CE1-CG 4.36Å; Y107-L113 HydrophobicContact CE2-CD1 4.23Å; D111-L113 PolarHBondContact O-N 2.82Å; L113-C116 HydrophobicContact CD1-CB 4.25Å; L113-Q172 HydrophobicContact CD2-CB 4.13Å; L113-L176 HydrophobicContact CD2-CB 4.28Å; L113-L176 HydrophobicContact CD2-CD2 3.84Å; L113-L176 HydrophobicContact CG-CD2 3.81Å
114	L	88.7	Confident	90.8	Very high	9 Å²	9	56.5 Å²	56.5	5%	0.047	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-38.7	-177.4	-60.6	175.2	0	0	0	112.2	V91 I106 R108 Q112 F261 A272	V91-L114 HydrophobicContact CG1-CD1 3.96Å; I106-L114 HydrophobicContact CG2-CB 4.34Å; I106-L114 HydrophobicContact CG2-CD1 4.12Å; I106-L114 WeakPolarHBondContact O-CB 3.22Å; I106-L114 PolarHBondContact O-N 2.93Å; R108-L114 HydrophobicContact CB-CD1 3.69Å; R108-L114 HydrophobicContact CB-CD2 3.99Å; R108-L114 HydrophobicContact CB-CG 3.93Å; R108-L114 HydrophobicContact CG-CD1 4.49Å; Q112-L114 HydrophobicContact CG-CD2 4.3Å; Q112-L114 PolarHBondContact O-N 2.8Å; L114-F261 HydrophobicContact CB-CZ 4.35Å; L114-F261 HydrophobicContact CD1-CE1 4.45Å; L114-F261 HydrophobicContact CD1-CE2 4.19Å; L114-F261 HydrophobicContact CD1-CZ 3.52Å; L114-F261 HydrophobicContact CD2-CE1 3.68Å; L114-F261 HydrophobicContact CD2-CZ 3.57Å; L114-F261 HydrophobicContact CG-CE1 4.47Å; L114-F261 HydrophobicContact CG-CZ 3.98Å; L114-A272 HydrophobicContact CB-CB 4.33Å; L114-A272 HydrophobicContact CD1-CB 4.11Å
115	D	90.9	Very high	90.5	Very high	30 Å²	30	54.4 Å²	54.4	16%	0.16	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	155.9	-177.7	-161.9	10.7	0	0	0	110	S105 I106	S105-D115 CarbonylContact C-O 3.59Å; S105-D115 WeakPolarHBondContact CA-O 3.28Å; I106-D115 HydrophobicContact CB-CB 4.28Å; I106-D115 HydrophobicContact CD1-CB 4.29Å; I106-D115 PolarHBondContact N-O 3.47Å; I106-D115 PolarHBondContact O-N 2.88Å
116	C	95.6	Very high	90.3	Very high	2 Å²	2	60 Å²	60	1%	0.014	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	151.8	177.5	62.3	0	0	0	0	113.1	K104 L113 C173 H177	K104-C116 CarbonylContact O-C 3.56Å; K104-C116 WeakPolarHBondContact O-CA 2.98Å; K104-C116 WeakPolarHBondContact O-CB 3.45Å; L113-C116 HydrophobicContact CD1-CB 4.25Å; C116-C173 HydrophobicContact CB-CB 3.77Å; C116-C173 WeakPolarHBondContact CB-SG 3.18Å; C116-C173 WeakPolarHBondContact SG-CA 3.44Å; C116-C173 WeakPolarHBondContact SG-CB 3.46Å; C116-C173 CovalentContact SG-SG 2.02Å; C116-C173 PolarHBondContact SG-SG 2.84Å; C116-H177 PolarHBondContact O-NE2 3.44Å
117	D	95	Very high	90.3	Very high	94 Å²	94	58.7 Å²	58.7	50%	0.503	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	137.7	173.8	-74.9	-43.9	0	0	0	110.4	V103 K104	V103-D117 WeakPolarHBondContact CA-O 3.31Å; K104-D117 HydrophobicContact CB-CB 4.36Å; K104-D117 PolarHBondContact N-O 3.48Å; K104-D117 PolarHBondContact O-N 3.24Å
118	I	96.9	Very high	90.3	Very high	49 Å²	49	58.3 Å²	58.3	25%	0.251	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.3	177.1	-58	164	0	0	0	108.4	T101 K170 C173 L174	T101-I118 HydrophobicContact CG2-CG2 3.63Å; I118-K170 HydrophobicContact CD1-CG 3.98Å; I118-K170 HydrophobicContact CG1-CG 4.46Å; I118-K170 HydrophobicContact CG2-CG 4.37Å; I118-C173 HydrophobicContact CD1-CB 3.96Å; I118-C173 HydrophobicContact CG1-CB 4.1Å; I118-L174 HydrophobicContact CD1-CD2 3.79Å; I118-L174 HydrophobicContact CD1-CG 3.82Å
119	L	94.1	Very high	90.4	Very high	48 Å²	48	61.6 Å²	61.6	25%	0.251	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.8	174.9	-52.7	174.8	0	0	0	109.8	T101 V102 K104 E123	T101-L119 WeakPolarHBondContact CA-O 3.38Å; T101-L119 WeakPolarHBondContact CG2-O 3.35Å; V102-L119 HydrophobicContact CB-CB 4.18Å; V102-L119 HydrophobicContact CB-CD1 4.47Å; V102-L119 HydrophobicContact CG1-CD1 4.42Å; V102-L119 PolarHBondContact N-O 2.64Å; V102-L119 PolarHBondContact O-N 3.39Å; K104-L119 HydrophobicContact CD-CD1 4.25Å; L119-E123 HydrophobicContact CB-CB 3.79Å; L119-E123 HydrophobicContact CB-CG 3.97Å; L119-E123 HydrophobicContact CD1-CB 4.19Å; L119-E123 HydrophobicContact CD1-CG 4.36Å
120	G	88.4	Confident	90.8	Very high	45 Å²	45	63.4 Å²	63.4	46%	0.464	34%	0.342	S	S	.	.			trans	-74.4	-177.8	-179	0	0	0	0	0	114.2	G122 E123	G120-G122 VanDerWaalsContact C-N 3.25Å; G120-G122 PolarHBondContact O-N 2.98Å; G120-G122 VanDerWaalsContact O-N 3.15Å; G120-E123 PolarHBondContact O-N 3Å
121	E	87.8	Confident	91.2	Very high	147 Å²	147	59.2 Å²	59.2	69%	0.687	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-51.5	-38.2	-176.2	-172.7	177.4	176	0	0	114	R100 E123 V124	R100-E121 WeakPolarHBondContact O-CA 3.42Å; R100-E121 PolarHBondContact O-N 3.33Å; E121-E123 PolarHBondContact O-N 3.2Å; E121-V124 WeakPolarHBondContact O-CB 3.41Å; E121-V124 PolarHBondContact O-N 3.24Å
122	G	89	Confident	91.2	Very high	65 Å²	65	57.5 Å²	57.5	67%	0.67	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-62.8	-14	179.2	0	0	0	0	0	115.3	G120	G120-G122 VanDerWaalsContact C-N 3.25Å; G120-G122 PolarHBondContact O-N 2.98Å; G120-G122 VanDerWaalsContact O-N 3.15Å
123	E	92.7	Very high	91.2	Very high	70 Å²	70	56.7 Å²	56.7	33%	0.327	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-100.3	-11.1	177.6	-63.7	-61	123.3	0	0	113.1	L119 G120 E121 K126 F127	L119-E123 HydrophobicContact CB-CB 3.79Å; L119-E123 HydrophobicContact CB-CG 3.97Å; L119-E123 HydrophobicContact CD1-CB 4.19Å; L119-E123 HydrophobicContact CD1-CG 4.36Å; G120-E123 PolarHBondContact O-N 3Å; E121-E123 PolarHBondContact O-N 3.2Å; E123-K126 PolarHBondContact O-N 2.99Å; E123-K126 IonicContact OE1-NZ 3.79Å; E123-K126 PolarHBondContact OE1-NZ 2.94Å; E123-K126 IonicContact OE2-NZ 3.5Å; E123-F127 PolarHBondContact O-N 2.89Å
124	V	92.4	Very high	91.1	Very high	13 Å²	13	57.4 Å²	57.4	8%	0.079	32%	0.317	C	S	.	.	H	α-helix	trans	-62.9	-49.4	-178.3	175.7	0	0	0	0	110.9	N98 V102 E121 K126 F127 V128	N98-V124 WeakPolarHBondContact O-CG1 3.48Å; N98-V124 WeakPolarHBondContact O-CG2 3.29Å; V102-V124 HydrophobicContact CG2-CB 4.45Å; V102-V124 HydrophobicContact CG2-CG2 4.02Å; E121-V124 WeakPolarHBondContact O-CB 3.41Å; E121-V124 PolarHBondContact O-N 3.24Å; V124-K126 VanDerWaalsContact C-N 3.34Å; V124-K126 PolarHBondContact O-N 3.03Å; V124-F127 WeakPolarHBondContact O-CB 3.3Å; V124-F127 PolarHBondContact O-N 3.15Å; V124-F127 VanDerWaalsContact O-N 3.13Å; V124-V128 HydrophobicContact CG1-CG2 4.33Å; V124-V128 WeakPolarHBondContact O-CG2 3.19Å; V124-V128 PolarHBondContact O-N 2.02Å
125	G	89.6	Confident	91.2	Very high	42 Å²	42	57.2 Å²	57.2	43%	0.433	32%	0.316	S	S	.	.	H	α-helix	trans	-57.9	-45.6	179.8	0	0	0	0	0	112.5	F127 V128 E129	G125-F127 VanDerWaalsContact C-N 3.32Å; G125-F127 PolarHBondContact O-N 3.09Å; G125-V128 PolarHBondContact O-N 2.83Å; G125-E129 WeakPolarHBondContact O-CG 3.41Å; G125-E129 PolarHBondContact O-N 2.96Å
126	K	91.6	Very high	91	Very high	118 Å²	118	57.2 Å²	57.2	51%	0.513	32%	0.317	S	S	.	.	H	α-helix	trans	-61.9	-40.2	176.9	-61.6	176.8	-172.7	166.1	0	112.2	E123 V124 R130	E123-K126 PolarHBondContact O-N 2.99Å; E123-K126 IonicContact OE1-NZ 3.79Å; E123-K126 PolarHBondContact OE1-NZ 2.94Å; E123-K126 IonicContact OE2-NZ 3.5Å; V124-K126 VanDerWaalsContact C-N 3.34Å; V124-K126 PolarHBondContact O-N 3.03Å; K126-R130 WeakPolarHBondContact O-CB 3.35Å; K126-R130 PolarHBondContact O-N 3.28Å; K126-R130 VanDerWaalsContact O-N 3.08Å
127	F	91.6	Very high	90.6	Very high	16 Å²	16	62.3 Å²	62.3	7%	0.07	34%	0.336	C	S	.	.	H	α-helix	trans	-63.7	-47.7	176.2	170.1	-97.5	0	0	0	111.1	W77 I95 A97 V102 E123 V124 G125 E129 R130 F131	W77-F127 HydrophobicContact CB-CE1 3.72Å; W77-F127 HydrophobicContact CB-CZ 4.47Å; I95-F127 HydrophobicContact CB-CE2 3.79Å; I95-F127 HydrophobicContact CB-CZ 4.41Å; I95-F127 HydrophobicContact CG2-CD2 3.57Å; I95-F127 HydrophobicContact CG2-CE2 3.19Å; I95-F127 HydrophobicContact CG2-CZ 3.97Å; A97-F127 HydrophobicContact CB-CD1 3.29Å; A97-F127 HydrophobicContact CB-CE1 3.4Å; A97-F127 VanDerWaalsContact CB-CE1 3.4Å; A97-F127 HydrophobicContact CB-CG 4.17Å; A97-F127 HydrophobicContact CB-CZ 4.35Å; V102-F127 HydrophobicContact CG1-CB 4.47Å; V102-F127 HydrophobicContact CG1-CD2 4.27Å; V102-F127 HydrophobicContact CG1-CG 4.23Å; V102-F127 HydrophobicContact CG2-CB 3.78Å; V102-F127 HydrophobicContact CG2-CD1 4.35Å; V102-F127 HydrophobicContact CG2-CG 4.08Å; E123-F127 PolarHBondContact O-N 2.89Å; V124-F127 WeakPolarHBondContact O-CB 3.3Å; V124-F127 PolarHBondContact O-N 3.15Å; V124-F127 VanDerWaalsContact O-N 3.13Å; G125-F127 VanDerWaalsContact C-N 3.32Å; G125-F127 PolarHBondContact O-N 3.09Å; F127-E129 PolarHBondContact O-N 2.99Å; F127-R130 PolarHBondContact O-N 3.47Å; F127-F131 HydrophobicContact CE1-CB 4.37Å; F127-F131 HydrophobicContact CZ-CB 4.38Å; F127-F131 HydrophobicContact CZ-CD2 4.14Å; F127-F131 VanDerWaalsContact O-CB 3.31Å; F127-F131 WeakPolarHBondContact O-CB 3.43Å; F127-F131 PolarHBondContact O-N 2.67Å
128	V	90.6	Very high	90.3	Very high	7 Å²	7	57.9 Å²	57.9	4%	0.042	31%	0.312	C	S	.	.	H	α-helix	trans	-62.1	-43.6	179.8	173.2	0	0	0	0	111.3	L50 W77 V124 G125 R130 F131 Q132	L50-V128 HydrophobicContact CD1-CG1 3.88Å; L50-V128 HydrophobicContact CD2-CG1 3.62Å; L50-V128 HydrophobicContact CG-CG1 4.34Å; W77-V128 HydrophobicContact CD2-CG2 3.88Å; W77-V128 HydrophobicContact CE3-CG2 3.87Å; W77-V128 HydrophobicContact CH2-CG2 4.21Å; W77-V128 HydrophobicContact CZ2-CG2 4.22Å; W77-V128 HydrophobicContact CZ3-CG2 4.02Å; V124-V128 HydrophobicContact CG1-CG2 4.33Å; V124-V128 WeakPolarHBondContact O-CG2 3.19Å; V124-V128 PolarHBondContact O-N 2.02Å; G125-V128 PolarHBondContact O-N 2.83Å; V128-R130 VanDerWaalsContact C-N 3.34Å; V128-R130 PolarHBondContact O-N 2.95Å; V128-F131 WeakPolarHBondContact O-CB 3.03Å; V128-F131 PolarHBondContact O-N 2.75Å; V128-Q132 WeakPolarHBondContact O-CG 3.14Å; V128-Q132 PolarHBondContact O-N 3.1Å
129	E	89.4	Confident	89.9	Confident	134 Å²	134	56.7 Å²	56.7	63%	0.626	31%	0.307	S	S	*	.	H	α-helix	trans	-58	-45.6	174.4	-74.6	173.2	-177.4	0	0	111.8	G125 F127 Q132 S133	G125-E129 WeakPolarHBondContact O-CG 3.41Å; G125-E129 PolarHBondContact O-N 2.96Å; F127-E129 PolarHBondContact O-N 2.99Å; E129-Q132 PolarHBondContact O-N 3.04Å; E129-S133 WeakPolarHBondContact O-CB 3.43Å; E129-S133 PolarHBondContact O-N 3.07Å
130	R	91	Very high	89.5	Confident	158 Å²	158	60.1 Å²	60.1	60%	0.596	33%	0.326	S	S	*	.	H	α-helix	trans	-63.9	-45.2	176.6	-176.6	-178.1	-179.8	108.1	5.8	111.5	K126 F127 V128 Q132 S133 E134	K126-R130 WeakPolarHBondContact O-CB 3.35Å; K126-R130 PolarHBondContact O-N 3.28Å; K126-R130 VanDerWaalsContact O-N 3.08Å; F127-R130 PolarHBondContact O-N 3.47Å; V128-R130 VanDerWaalsContact C-N 3.34Å; V128-R130 PolarHBondContact O-N 2.95Å; R130-Q132 VanDerWaalsContact C-N 3.33Å; R130-Q132 PolarHBondContact O-N 3.34Å; R130-S133 WeakPolarHBondContact O-CB 3.29Å; R130-S133 PolarHBondContact O-N 2.61Å; R130-E134 WeakPolarHBondContact O-CG 3.47Å; R130-E134 PolarHBondContact O-N 3.25Å
131	F	91.5	Very high	89.5	Confident	1 Å²	1	60.1 Å²	60.1	0%	0.004	33%	0.326	C	S	.	.	H	α-helix	trans	-56.2	-47.3	178	177.5	-93.9	0	0	0	111.1	F56 F70 W77 S78 Q79 F127 V128 E134 I135	F56-F131 HydrophobicContact CZ-CE1 4.34Å; F70-F131 HydrophobicContact CB-CE2 3.78Å; F70-F131 HydrophobicContact CB-CZ 3.89Å; F70-F131 AromaticContact CD1-CD2 3.91Å; F70-F131 HydrophobicContact CD1-CD2 3.91Å; F70-F131 AromaticContact CD1-CE2 3.71Å; F70-F131 HydrophobicContact CD1-CE2 3.71Å; F70-F131 HydrophobicContact CD1-CZ 4.4Å; F70-F131 HydrophobicContact CG-CE2 4.25Å; W77-F131 HydrophobicContact CB-CZ 4.47Å; W77-F131 AromaticContact CD1-CD1 3.92Å; W77-F131 AromaticContact CD1-CE1 3.68Å; W77-F131 HydrophobicContact CG-CE1 4.49Å; S78-F131 WeakPolarHBondContact O-CE2 3.29Å; Q79-F131 HydrophobicContact CB-CD2 4.36Å; F127-F131 HydrophobicContact CE1-CB 4.37Å; F127-F131 HydrophobicContact CZ-CB 4.38Å; F127-F131 HydrophobicContact CZ-CD2 4.14Å; F127-F131 VanDerWaalsContact O-CB 3.31Å; F127-F131 WeakPolarHBondContact O-CB 3.43Å; F127-F131 PolarHBondContact O-N 2.67Å; V128-F131 WeakPolarHBondContact O-CB 3.03Å; V128-F131 PolarHBondContact O-N 2.75Å; F131-E134 PolarHBondContact O-N 3.5Å; F131-I135 HydrophobicContact CD1-CD1 3.75Å; F131-I135 HydrophobicContact CE1-CD1 3.22Å; F131-I135 HydrophobicContact CE1-CG1 4.42Å; F131-I135 HydrophobicContact CE2-CD1 4.24Å; F131-I135 HydrophobicContact CG-CD1 4.46Å; F131-I135 HydrophobicContact CZ-CD1 3.52Å; F131-I135 WeakPolarHBondContact O-CG1 3.48Å; F131-I135 PolarHBondContact O-N 3.43Å
132	Q	88.2	Confident	89.4	Confident	39 Å²	39	55.5 Å²	55.5	18%	0.182	32%	0.318	C	S	.	.	H	α-helix	trans	-65.4	-40.2	177	-71.7	-178.2	-26.4	0	0	113.1	K48 V128 E129 R130 T136	K48-Q132 PolarHBondContact O-NE2 3.19Å; V128-Q132 WeakPolarHBondContact O-CG 3.14Å; V128-Q132 PolarHBondContact O-N 3.1Å; E129-Q132 PolarHBondContact O-N 3.04Å; R130-Q132 VanDerWaalsContact C-N 3.33Å; R130-Q132 PolarHBondContact O-N 3.34Å; Q132-T136 WeakPolarHBondContact O-CB 3.39Å; Q132-T136 PolarHBondContact O-N 2.93Å; Q132-T136 PolarHBondContact O-OG1 2.82Å
133	S	88.3	Confident	89.4	Confident	76 Å²	76	60 Å²	60	53%	0.531	32%	0.321	S	S	.	.	H	α-helix	trans	-61.4	-44.3	175.9	-175	0	0	0	0	111.4	E129 R130 T136 R137	E129-S133 WeakPolarHBondContact O-CB 3.43Å; E129-S133 PolarHBondContact O-N 3.07Å; R130-S133 WeakPolarHBondContact O-CB 3.29Å; R130-S133 PolarHBondContact O-N 2.61Å; S133-T136 WeakPolarHBondContact O-CB 3.4Å; S133-T136 PolarHBondContact O-N 2.82Å; S133-R137 PolarHBondContact O-N 2.85Å
134	E	90	Very high	89.3	Confident	43 Å²	43	59.5 Å²	59.5	20%	0.201	32%	0.316	C	S	.	.	H	α-helix	trans	-66.6	-45.6	177.7	-71.5	-58.8	143.7	0	0	112.2	F70 R130 F131 T136 R137 V138	F70-E134 HydrophobicContact CE1-CB 3.62Å; F70-E134 HydrophobicContact CZ-CB 3.82Å; R130-E134 WeakPolarHBondContact O-CG 3.47Å; R130-E134 PolarHBondContact O-N 3.25Å; F131-E134 PolarHBondContact O-N 3.5Å; E134-T136 VanDerWaalsContact C-N 3.26Å; E134-T136 PolarHBondContact O-N 2.86Å; E134-R137 WeakPolarHBondContact O-CB 3.47Å; E134-R137 PolarHBondContact O-N 3.47Å; E134-R137 VanDerWaalsContact O-N 3.13Å; E134-R137 IonicContact OE2-CZ 2.72Å; E134-R137 IonicContact OE2-NE 3.61Å; E134-R137 PolarHBondContact OE2-NE 2.86Å; E134-R137 IonicContact OE2-NH2 3.25Å; E134-R137 PolarHBondContact OE2-NH2 2.75Å; E134-V138 WeakPolarHBondContact O-CG2 3.35Å; E134-V138 PolarHBondContact O-N 2.81Å
135	I	89.5	Confident	89.3	Confident	4 Å²	4	62.9 Å²	62.9	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-57.4	-43.7	173.6	-71	172.9	0	0	0	110.5	L47 F56 F70 F131 R137 V138 V139	L47-I135 HydrophobicContact CD1-CG2 3.94Å; F56-I135 HydrophobicContact CE2-CD1 3.77Å; F56-I135 HydrophobicContact CZ-CD1 3.76Å; F70-I135 HydrophobicContact CB-CD1 3.94Å; F70-I135 HydrophobicContact CB-CG1 3.93Å; F70-I135 HydrophobicContact CD1-CD1 4.25Å; F70-I135 HydrophobicContact CD1-CG1 3.66Å; F70-I135 HydrophobicContact CD2-CG1 4.21Å; F70-I135 HydrophobicContact CE1-CG1 4.1Å; F70-I135 HydrophobicContact CG-CD1 4.22Å; F70-I135 HydrophobicContact CG-CG1 3.68Å; F131-I135 HydrophobicContact CD1-CD1 3.75Å; F131-I135 HydrophobicContact CE1-CD1 3.22Å; F131-I135 HydrophobicContact CE1-CG1 4.42Å; F131-I135 HydrophobicContact CE2-CD1 4.24Å; F131-I135 HydrophobicContact CG-CD1 4.46Å; F131-I135 HydrophobicContact CZ-CD1 3.52Å; F131-I135 WeakPolarHBondContact O-CG1 3.48Å; F131-I135 PolarHBondContact O-N 3.43Å; I135-R137 VanDerWaalsContact C-N 3.31Å; I135-R137 PolarHBondContact O-N 2.87Å; I135-V138 PolarHBondContact O-N 2.99Å; I135-V139 HydrophobicContact CG2-CG2 3.99Å; I135-V139 WeakPolarHBondContact O-CB 3.04Å; I135-V139 VanDerWaalsContact O-CG2 3.32Å; I135-V139 WeakPolarHBondContact O-CG2 3.36Å; I135-V139 PolarHBondContact O-N 3.26Å
136	T	87.2	Confident	89.3	Confident	31 Å²	31	61.8 Å²	61.8	19%	0.19	32%	0.315	C	S	.	.	H	α-helix	trans	-59	-43.2	177.6	-64.8	0	0	0	0	111.6	L44 Q132 S133 E134 N140	L44-T136 HydrophobicContact CD2-CG2 4.05Å; Q132-T136 WeakPolarHBondContact O-CB 3.39Å; Q132-T136 PolarHBondContact O-N 2.93Å; Q132-T136 PolarHBondContact O-OG1 2.82Å; S133-T136 WeakPolarHBondContact O-CB 3.4Å; S133-T136 PolarHBondContact O-N 2.82Å; E134-T136 VanDerWaalsContact C-N 3.26Å; E134-T136 PolarHBondContact O-N 2.86Å; T136-N140 VanDerWaalsContact O-CB 3.29Å; T136-N140 WeakPolarHBondContact O-CB 3.2Å; T136-N140 PolarHBondContact O-N 2.93Å; T136-N140 PolarHBondContact O-ND2 2.89Å
137	R	88.8	Confident	89.2	Confident	108 Å²	108	57.8 Å²	57.8	41%	0.408	30%	0.298	S	S	.	.	H	α-helix	trans	-58.9	-49.7	174.6	-178.9	-165.6	64.3	70	-3	111.1	E60 S133 E134 I135 N140 G141	E60-R137 IonicContact OE1-CZ 3.53Å; E60-R137 IonicContact OE1-NH1 3.5Å; E60-R137 PolarHBondContact OE1-NH1 3.25Å; E60-R137 IonicContact OE1-NH2 3.51Å; E60-R137 IonicContact OE2-CZ 2.67Å; E60-R137 IonicContact OE2-NH1 2.75Å; E60-R137 IonicContact OE2-NH2 3.85Å; E60-R137 PolarHBondContact OE2-NH2 2.82Å; S133-R137 PolarHBondContact O-N 2.85Å; E134-R137 WeakPolarHBondContact O-CB 3.47Å; E134-R137 PolarHBondContact O-N 3.47Å; E134-R137 VanDerWaalsContact O-N 3.13Å; E134-R137 IonicContact OE2-CZ 2.72Å; E134-R137 IonicContact OE2-NE 3.61Å; E134-R137 PolarHBondContact OE2-NE 2.86Å; E134-R137 IonicContact OE2-NH2 3.25Å; E134-R137 PolarHBondContact OE2-NH2 2.75Å; I135-R137 VanDerWaalsContact C-N 3.31Å; I135-R137 PolarHBondContact O-N 2.87Å; R137-N140 PolarHBondContact O-N 3.43Å; R137-G141 PolarHBondContact O-N 2.92Å
138	V	88.5	Confident	89.1	Confident	1 Å²	1	60 Å²	60	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-62.2	-48.2	-178.3	172.7	0	0	0	0	111.5	V58 E60 F70 E134 I135 N140 G141 G142 Y144	V58-V138 HydrophobicContact CG1-CG1 4.04Å; E60-V138 HydrophobicContact CB-CG1 3.86Å; E60-V138 HydrophobicContact CB-CG2 4.24Å; E60-V138 VanDerWaalsContact CD-CG2 3.45Å; E60-V138 HydrophobicContact CG-CG1 4.12Å; E60-V138 HydrophobicContact CG-CG2 4.3Å; E60-V138 WeakPolarHBondContact OE2-CG2 3.42Å; F70-V138 HydrophobicContact CE2-CG2 3.86Å; F70-V138 HydrophobicContact CZ-CG2 4.09Å; E134-V138 WeakPolarHBondContact O-CG2 3.35Å; E134-V138 PolarHBondContact O-N 2.81Å; I135-V138 PolarHBondContact O-N 2.99Å; V138-N140 PolarHBondContact O-N 2.88Å; V138-G141 WeakPolarHBondContact O-CA 3.28Å; V138-G141 PolarHBondContact O-N 3.23Å; V138-G142 PolarHBondContact O-N 3.24Å; V138-Y144 HydrophobicContact CG1-CD1 4.33Å; V138-Y144 HydrophobicContact CG1-CG 4.19Å
139	V	87	Confident	88.9	Confident	25 Å²	25	62 Å²	62	15%	0.152	32%	0.315	C	S	.	.	H	α-helix	trans	-63.8	-42.9	-178.8	172.4	0	0	0	0	111.2	L44 L47 I135 G141 G142 Y144	L44-V139 HydrophobicContact CD1-CB 3.78Å; L44-V139 HydrophobicContact CD1-CG1 3.69Å; L44-V139 HydrophobicContact CD1-CG2 4.13Å; L47-V139 HydrophobicContact CD1-CG2 4.42Å; I135-V139 HydrophobicContact CG2-CG2 3.99Å; I135-V139 WeakPolarHBondContact O-CB 3.04Å; I135-V139 VanDerWaalsContact O-CG2 3.32Å; I135-V139 WeakPolarHBondContact O-CG2 3.36Å; I135-V139 PolarHBondContact O-N 3.26Å; V139-G141 PolarHBondContact O-N 2.81Å; V139-G142 PolarHBondContact O-N 3.48Å; V139-G142 VanDerWaalsContact O-N 3.11Å; V139-Y144 HydrophobicContact CB-CE1 4.2Å; V139-Y144 HydrophobicContact CG1-CE1 4.18Å; V139-Y144 HydrophobicContact CG2-CE1 4.27Å; V139-Y144 HydrophobicContact CG2-CE2 4.38Å
140	N	87.1	Confident	88.5	Confident	120 Å²	120	60 Å²	60	64%	0.642	31%	0.309	S	S	*	.	H	α-helix	trans	-65.6	-26.3	174.8	-72.3	-18.6	0	0	0	112.9	T136 R137 V138 G142	T136-N140 VanDerWaalsContact O-CB 3.29Å; T136-N140 WeakPolarHBondContact O-CB 3.2Å; T136-N140 PolarHBondContact O-N 2.93Å; T136-N140 PolarHBondContact O-ND2 2.89Å; R137-N140 PolarHBondContact O-N 3.43Å; V138-N140 PolarHBondContact O-N 2.88Å; N140-G142 VanDerWaalsContact C-N 3.3Å
141	G	87.5	Confident	88.1	Confident	45 Å²	45	53.9 Å²	53.9	46%	0.464	29%	0.287	S	S	.	.	H	α-helix	trans	-71.7	-21.7	173.6	0	0	0	0	0	113.7	R137 V138 V139 H143	R137-G141 PolarHBondContact O-N 2.92Å; V138-G141 WeakPolarHBondContact O-CA 3.28Å; V138-G141 PolarHBondContact O-N 3.23Å; V139-G141 PolarHBondContact O-N 2.81Å; G141-H143 PolarHBondContact O-CD2 3.21Å; G141-H143 VanDerWaalsContact O-CD2 3.32Å; G141-H143 PolarHBondContact O-N 3.25Å
142	G	85.7	Confident	87.5	Confident	50 Å²	50	61 Å²	61	52%	0.515	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	-0	173.6	0	0	0	0	0	116.2	V138 V139 N140	V138-G142 PolarHBondContact O-N 3.24Å; V139-G142 PolarHBondContact O-N 3.48Å; V139-G142 VanDerWaalsContact O-N 3.11Å; N140-G142 VanDerWaalsContact C-N 3.3Å
143	H	88.4	Confident	87.4	Confident	159 Å²	159	65 Å²	65	74%	0.736	35%	0.353	S	S	*	.			trans	-110.7	73.3	-177.2	-61.2	-55.9	0	0	0	111.6	G141	G141-H143 PolarHBondContact O-CD2 3.21Å; G141-H143 VanDerWaalsContact O-CD2 3.32Å; G141-H143 PolarHBondContact O-N 3.25Å
144	Y	91.6	Very high	87.5	Confident	59 Å²	59	63.1 Å²	63.1	23%	0.231	34%	0.335	C	S	.	.			trans	-149.5	160.1	-178.3	63.7	-84.6	0	0	0	112.2	V58 I59 V138 V139 F146	V58-Y144 HydrophobicContact CG1-CD2 4.16Å; V58-Y144 HydrophobicContact CG1-CG 4.4Å; I59-Y144 CarbonylContact O-C 3.56Å; I59-Y144 VanDerWaalsContact O-CA 3.24Å; I59-Y144 WeakPolarHBondContact O-CA 3.5Å; I59-Y144 WeakPolarHBondContact O-CB 3.38Å; V138-Y144 HydrophobicContact CG1-CD1 4.33Å; V138-Y144 HydrophobicContact CG1-CG 4.19Å; V139-Y144 HydrophobicContact CB-CE1 4.2Å; V139-Y144 HydrophobicContact CG1-CE1 4.18Å; V139-Y144 HydrophobicContact CG2-CE1 4.27Å; V139-Y144 HydrophobicContact CG2-CE2 4.38Å; Y144-F146 HydrophobicContact CD2-CB 4.19Å; Y144-F146 HydrophobicContact CE2-CB 3.96Å
145	E	91.7	Very high	87.5	Confident	84 Å²	84	66.8 Å²	66.8	39%	0.393	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	140.7	165.4	-61.3	163.3	-157.8	0	0	108.6	V58 I59 N61	V58-E145 CarbonylContact C-O 3.58Å; V58-E145 WeakPolarHBondContact CA-O 3.42Å; I59-E145 HydrophobicContact CB-CB 4.21Å; I59-E145 PolarHBondContact N-O 3.23Å; I59-E145 PolarHBondContact O-N 2.84Å; N61-E145 PolarHBondContact ND2-OE1 3.08Å
146	F	90	Very high	87.5	Confident	20 Å²	20	68.4 Å²	68.4	9%	0.088	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.2	177.5	180	-81.2	0	0	0	109.3	P42 L47 F56 V57 V58 Y144 W148	P42-F146 HydrophobicContact CG-CE1 4.16Å; P42-F146 HydrophobicContact CG-CE2 3.74Å; P42-F146 HydrophobicContact CG-CZ 3.47Å; P42-F146 VanDerWaalsContact CG-CZ 3.47Å; L47-F146 HydrophobicContact CD2-CE2 4.28Å; F56-F146 HydrophobicContact CB-CE2 3.88Å; F56-F146 HydrophobicContact CB-CZ 3.72Å; F56-F146 HydrophobicContact CD2-CE2 4.28Å; F56-F146 HydrophobicContact CG-CE2 4.19Å; F56-F146 HydrophobicContact CG-CZ 4.45Å; V57-F146 WeakPolarHBondContact O-CA 3.43Å; V58-F146 HydrophobicContact CG2-CD2 3.83Å; V58-F146 HydrophobicContact CG2-CE2 4.27Å; Y144-F146 HydrophobicContact CD2-CB 4.19Å; Y144-F146 HydrophobicContact CE2-CB 3.96Å; F146-W148 AromaticContact CE1-CD1 3.95Å; F146-W148 AromaticContact CE1-CD2 3.77Å; F146-W148 HydrophobicContact CE1-CD2 3.77Å; F146-W148 AromaticContact CE1-CE2 3.59Å; F146-W148 HydrophobicContact CE1-CE3 4.35Å; F146-W148 HydrophobicContact CE1-CG 4.01Å; F146-W148 HydrophobicContact CE1-CZ2 4.05Å; F146-W148 AromaticContact CE1-NE1 3.68Å; F146-W148 HydrophobicContact CZ-CD2 4.03Å; F146-W148 AromaticContact CZ-CE2 3.95Å; F146-W148 HydrophobicContact CZ-CE3 4.16Å; F146-W148 HydrophobicContact CZ-CH2 4.18Å; F146-W148 HydrophobicContact CZ-CZ2 4.04Å; F146-W148 HydrophobicContact CZ-CZ3 4.23Å
147	H	90.8	Very high	87.7	Confident	34 Å²	34	71.8 Å²	71.8	16%	0.157	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	133	176.6	-62.8	-70.8	0	0	0	110.7	F56 V57 E151 Y154	F56-H147 CarbonylContact C-O 3.53Å; F56-H147 WeakPolarHBondContact CA-O 3.32Å; V57-H147 HydrophobicContact CB-CB 4.43Å; V57-H147 PolarHBondContact N-O 2.97Å; V57-H147 PolarHBondContact O-N 3.02Å; H147-E151 IonicContact CG-OE2 2.98Å; H147-E151 IonicContact ND1-OE2 3.13Å; H147-E151 PolarHBondContact ND1-OE2 3.48Å; H147-E151 VanDerWaalsContact ND1-OE2 3.13Å; H147-Y154 HydrophobicContact CB-CD1 3.59Å; H147-Y154 HydrophobicContact CB-CD2 4.02Å; H147-Y154 HydrophobicContact CB-CE1 4.01Å; H147-Y154 HydrophobicContact CB-CE2 4.43Å; H147-Y154 HydrophobicContact CB-CG 3.59Å; H147-Y154 AromaticContact CD2-CD2 3.37Å; H147-Y154 WeakPolarHBondContact CD2-CD2 3.25Å; H147-Y154 AromaticContact CD2-CE2 3.47Å; H147-Y154 VanDerWaalsContact CD2-CE2 3.47Å; H147-Y154 WeakPolarHBondContact CD2-CE2 3.48Å; H147-Y154 AromaticContact CD2-CG 3.91Å; H147-Y154 AromaticContact CE1-CD2 3.8Å; H147-Y154 AromaticContact CG-CD1 3.94Å; H147-Y154 AromaticContact CG-CD2 3.39Å; H147-Y154 AromaticContact CG-CE2 3.89Å; H147-Y154 AromaticContact CG-CG 3.43Å; H147-Y154 VanDerWaalsContact CG-CG 3.43Å; H147-Y154 AromaticContact ND1-CD2 3.68Å; H147-Y154 AromaticContact ND1-CG 3.72Å; H147-Y154 AromaticContact NE2-CD2 3.63Å; H147-Y154 AromaticContact NE2-CE2 3.92Å
148	W	88.3	Confident	87.8	Confident	61 Å²	61	70 Å²	70	23%	0.231	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	143.9	161.1	-60.8	105.4	0	0	0	110.2	P42 V54 F56 F146 N150 E151	P42-W148 HydrophobicContact CB-CH2 3.81Å; P42-W148 HydrophobicContact CB-CZ2 3.8Å; P42-W148 HydrophobicContact CG-CH2 3.64Å; P42-W148 HydrophobicContact CG-CZ2 3.62Å; V54-W148 HydrophobicContact CB-CZ3 4.08Å; V54-W148 HydrophobicContact CG1-CH2 4.24Å; V54-W148 HydrophobicContact CG1-CZ3 3.82Å; F56-W148 HydrophobicContact CB-CE3 4.4Å; F146-W148 AromaticContact CE1-CD1 3.95Å; F146-W148 AromaticContact CE1-CD2 3.77Å; F146-W148 HydrophobicContact CE1-CD2 3.77Å; F146-W148 AromaticContact CE1-CE2 3.59Å; F146-W148 HydrophobicContact CE1-CE3 4.35Å; F146-W148 HydrophobicContact CE1-CG 4.01Å; F146-W148 HydrophobicContact CE1-CZ2 4.05Å; F146-W148 AromaticContact CE1-NE1 3.68Å; F146-W148 HydrophobicContact CZ-CD2 4.03Å; F146-W148 AromaticContact CZ-CE2 3.95Å; F146-W148 HydrophobicContact CZ-CE3 4.16Å; F146-W148 HydrophobicContact CZ-CH2 4.18Å; F146-W148 HydrophobicContact CZ-CZ2 4.04Å; F146-W148 HydrophobicContact CZ-CZ3 4.23Å; W148-N150 VanDerWaalsContact CB-OD1 3.26Å; W148-N150 WeakPolarHBondContact CB-OD1 3.28Å; W148-N150 PolarHBondContact O-N 3.49Å; W148-E151 HydrophobicContact CB-CG 4.02Å; W148-E151 PolarHBondContact N-OE1 2.59Å; W148-E151 WeakPolarHBondContact O-CB 3.45Å; W148-E151 PolarHBondContact O-N 3.32Å; W148-E151 VanDerWaalsContact O-N 3.14Å
149	M	85.7	Confident	87.9	Confident	50 Å²	50	71.2 Å²	71.2	25%	0.246	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-19.1	-179.7	-72.5	-173.7	60.4	0	0	114	D55 V57 T71 Q72 N73 M156 L164	D55-M149 HydrophobicContact CB-CB 3.93Å; D55-M149 HydrophobicContact CB-CG 4.06Å; D55-M149 HydrophobicContact CB-SD 3.84Å; D55-M149 PolarHBondContact O-N 2.81Å; D55-M149 VanDerWaalsContact O-N 3.1Å; V57-M149 HydrophobicContact CG2-CG 4.4Å; T71-M149 HydrophobicContact CG2-SD 4.31Å; Q72-M149 VanDerWaalsContact O-SD 3.42Å; N73-M149 HydrophobicContact CB-CE 4.04Å; N73-M149 HydrophobicContact CB-SD 3.7Å; N73-M149 WeakPolarHBondContact ND2-CE 3.38Å; M149-M156 HydrophobicContact CE-CE 3.75Å; M149-M156 HydrophobicContact CE-SD 3.69Å; M149-M156 HydrophobicContact CG-SD 4.38Å; M149-M156 HydrophobicContact SD-SD 4.39Å; M149-L164 HydrophobicContact CE-CD1 4.1Å
150	N	82.8	Confident	88.2	Confident	91 Å²	91	70 Å²	70	49%	0.487	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	3	177.1	68.1	-17.9	0	0	0	113.6	W148	W148-N150 VanDerWaalsContact CB-OD1 3.26Å; W148-N150 WeakPolarHBondContact CB-OD1 3.28Å; W148-N150 PolarHBondContact O-N 3.49Å
151	E	81	Confident	88.6	Confident	31 Å²	31	68.3 Å²	68.3	15%	0.145	38%	0.377	C	S	.	.			trans	-63.1	137.2	174.1	-89.4	168.7	-147.4	0	0	111.3	H147 W148 N153	H147-E151 IonicContact CG-OE2 2.98Å; H147-E151 IonicContact ND1-OE2 3.13Å; H147-E151 PolarHBondContact ND1-OE2 3.48Å; H147-E151 VanDerWaalsContact ND1-OE2 3.13Å; W148-E151 HydrophobicContact CB-CG 4.02Å; W148-E151 PolarHBondContact N-OE1 2.59Å; W148-E151 WeakPolarHBondContact O-CB 3.45Å; W148-E151 PolarHBondContact O-N 3.32Å; W148-E151 VanDerWaalsContact O-N 3.14Å; E151-N153 WeakPolarHBondContact CB-OD1 3.49Å; E151-N153 PolarHBondContact OE2-OD1 3.18Å
152	T	79.8	Confident	88.9	Confident	149 Å²	149	70 Å²	70	91%	0.914	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-20.3	-178.7	52.3	0	0	0	0	113.7
153	N	86.6	Confident	89.4	Confident	124 Å²	124	67.8 Å²	67.8	66%	0.663	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-1.7	-179	64.7	-22.7	0	0	0	113.4	E151	E151-N153 WeakPolarHBondContact CB-OD1 3.49Å; E151-N153 PolarHBondContact OE2-OD1 3.18Å
154	Y	88.8	Confident	89.8	Confident	36 Å²	36	60.9 Å²	60.9	14%	0.141	32%	0.318	C	S	.	.			trans	-114.7	134.7	177.6	-177.7	-110.4	0	0	0	110.6	V57 I59 H147 M156 Q160	V57-Y154 HydrophobicContact CB-CE1 4.1Å; V57-Y154 HydrophobicContact CG1-CE1 4.41Å; V57-Y154 HydrophobicContact CG2-CE1 3.85Å; I59-Y154 HydrophobicContact CD1-CE2 4.26Å; H147-Y154 HydrophobicContact CB-CD1 3.59Å; H147-Y154 HydrophobicContact CB-CD2 4.02Å; H147-Y154 HydrophobicContact CB-CE1 4.01Å; H147-Y154 HydrophobicContact CB-CE2 4.43Å; H147-Y154 HydrophobicContact CB-CG 3.59Å; H147-Y154 AromaticContact CD2-CD2 3.37Å; H147-Y154 WeakPolarHBondContact CD2-CD2 3.25Å; H147-Y154 AromaticContact CD2-CE2 3.47Å; H147-Y154 VanDerWaalsContact CD2-CE2 3.47Å; H147-Y154 WeakPolarHBondContact CD2-CE2 3.48Å; H147-Y154 AromaticContact CD2-CG 3.91Å; H147-Y154 AromaticContact CE1-CD2 3.8Å; H147-Y154 AromaticContact CG-CD1 3.94Å; H147-Y154 AromaticContact CG-CD2 3.39Å; H147-Y154 AromaticContact CG-CE2 3.89Å; H147-Y154 AromaticContact CG-CG 3.43Å; H147-Y154 VanDerWaalsContact CG-CG 3.43Å; H147-Y154 AromaticContact ND1-CD2 3.68Å; H147-Y154 AromaticContact ND1-CG 3.72Å; H147-Y154 AromaticContact NE2-CD2 3.63Å; H147-Y154 AromaticContact NE2-CE2 3.92Å; Y154-M156 HydrophobicContact CD1-CG 4.4Å; Y154-M156 HydrophobicContact CE1-CG 3.68Å; Y154-Q160 PolarHBondContact OH-NE2 3.32Å; Y154-Q160 PolarHBondContact OH-OE1 2.86Å
155	T	90.7	Very high	90	Very high	120 Å²	120	61.4 Å²	61.4	74%	0.736	32%	0.322	S	S	*	.			trans	-126.5	118.4	175.9	-59	0	0	0	0	108.2
156	M	90.3	Very high	90.3	Very high	38 Å²	38	57.5 Å²	57.5	19%	0.187	31%	0.305	C	S	.	.			trans	-63.2	139.3	176.3	-68.9	-162.3	-39.7	0	0	111.1	V57 T71 M149 Y154 Q160 I161 L164	V57-M156 HydrophobicContact CG2-CG 4.45Å; V57-M156 HydrophobicContact CG2-SD 4.15Å; T71-M156 HydrophobicContact CG2-SD 4.37Å; M149-M156 HydrophobicContact CE-CE 3.75Å; M149-M156 HydrophobicContact CE-SD 3.69Å; M149-M156 HydrophobicContact CG-SD 4.38Å; M149-M156 HydrophobicContact SD-SD 4.39Å; Y154-M156 HydrophobicContact CD1-CG 4.4Å; Y154-M156 HydrophobicContact CE1-CG 3.68Å; M156-Q160 HydrophobicContact CB-CB 4.19Å; M156-Q160 HydrophobicContact SD-CB 4.45Å; M156-I161 HydrophobicContact CB-CD1 4.49Å; M156-I161 HydrophobicContact CB-CG1 4.02Å; M156-I161 HydrophobicContact CE-CB 4.39Å; M156-I161 HydrophobicContact CE-CG1 3.5Å; M156-I161 VanDerWaalsContact CE-CG1 3.5Å; M156-L164 HydrophobicContact CE-CD1 4.32Å
157	L	90.5	Very high	90.6	Very high	103 Å²	103	61.1 Å²	61.1	54%	0.539	33%	0.325	S	S	.	.			trans	-67.2	155	171.2	-58.9	173.9	0	0	0	110.5	M159 Q160 I161	L157-M159 VanDerWaalsContact C-N 3.27Å; L157-M159 PolarHBondContact O-N 3.35Å; L157-Q160 HydrophobicContact CB-CG 4.35Å; L157-Q160 WeakPolarHBondContact O-CB 3.48Å; L157-Q160 PolarHBondContact O-N 3.46Å; L157-I161 PolarHBondContact O-N 3.38Å; L157-I161 VanDerWaalsContact O-N 3.14Å
158	S	91.1	Very high	91	Very high	69 Å²	69	64.3 Å²	64.3	48%	0.483	34%	0.339	S	S	.	.	H	α-helix	trans	-51.4	-46.3	177.4	50.9	0	0	0	0	112.4	Q160 I161 Q162	S158-Q160 VanDerWaalsContact C-N 3.28Å; S158-Q160 PolarHBondContact O-N 3Å; S158-I161 PolarHBondContact O-N 3.37Å; S158-Q162 WeakPolarHBondContact O-CG 3.38Å; S158-Q162 PolarHBondContact O-N 3.04Å
159	M	90.9	Very high	91.4	Very high	27 Å²	27	61.5 Å²	61.5	13%	0.133	33%	0.329	C	S	.	.	H	α-helix	trans	-60.4	-36	178.2	-173.7	177.8	52	0	0	112.1	I80 T82 V94 L157 S163	I80-M159 HydrophobicContact CD1-CE 4.25Å; I80-M159 HydrophobicContact CD1-CG 4.1Å; I80-M159 HydrophobicContact CG2-CE 3.43Å; I80-M159 VanDerWaalsContact CG2-CE 3.43Å; I80-M159 HydrophobicContact CG2-SD 3.77Å; T82-M159 HydrophobicContact CG2-CE 3.96Å; V94-M159 HydrophobicContact CG2-CG 4.49Å; V94-M159 HydrophobicContact CG2-SD 4.3Å; L157-M159 VanDerWaalsContact C-N 3.27Å; L157-M159 PolarHBondContact O-N 3.35Å; M159-S163 WeakPolarHBondContact O-CB 3.44Å; M159-S163 PolarHBondContact O-N 3.33Å
160	Q	93.7	Very high	92	Very high	1 Å²	1	62 Å²	62	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-67.6	-43.8	175.5	-66.8	173.4	-88.1	0	0	111.6	I69 I80 Y154 M156 L157 S158 S163 L164	I69-Q160 HydrophobicContact CD1-CG 4.49Å; I69-Q160 HydrophobicContact CG2-CG 4.15Å; I80-Q160 HydrophobicContact CD1-CB 4.47Å; I80-Q160 HydrophobicContact CD1-CG 3.89Å; Y154-Q160 PolarHBondContact OH-NE2 3.32Å; Y154-Q160 PolarHBondContact OH-OE1 2.86Å; M156-Q160 HydrophobicContact CB-CB 4.19Å; M156-Q160 HydrophobicContact SD-CB 4.45Å; L157-Q160 HydrophobicContact CB-CG 4.35Å; L157-Q160 WeakPolarHBondContact O-CB 3.48Å; L157-Q160 PolarHBondContact O-N 3.46Å; S158-Q160 VanDerWaalsContact C-N 3.28Å; S158-Q160 PolarHBondContact O-N 3Å; Q160-S163 WeakPolarHBondContact O-CB 3.36Å; Q160-S163 PolarHBondContact O-N 2.95Å; Q160-S163 PolarHBondContact O-OG 2.88Å; Q160-L164 PolarHBondContact O-N 3.01Å
161	I	94	Very high	92.7	Very high	84 Å²	84	63.2 Å²	63.2	43%	0.431	33%	0.333	S	S	.	.	H	α-helix	trans	-61	-50.5	177.1	-62.7	166	0	0	0	110.3	M156 L157 S158 S163 L164	M156-I161 HydrophobicContact CB-CD1 4.49Å; M156-I161 HydrophobicContact CB-CG1 4.02Å; M156-I161 HydrophobicContact CE-CB 4.39Å; M156-I161 HydrophobicContact CE-CG1 3.5Å; M156-I161 VanDerWaalsContact CE-CG1 3.5Å; L157-I161 PolarHBondContact O-N 3.38Å; L157-I161 VanDerWaalsContact O-N 3.14Å; S158-I161 PolarHBondContact O-N 3.37Å; I161-S163 PolarHBondContact O-N 3.44Å; I161-L164 PolarHBondContact O-N 3.16Å; I161-L164 VanDerWaalsContact O-N 3.16Å
162	Q	94.8	Very high	93.5	Very high	81 Å²	81	64.9 Å²	64.9	38%	0.379	34%	0.34	S	S	.	.	H	α-helix	trans	-61.8	-34	177.7	-70.5	173	-6.5	0	0	111.8	S158 L164 Q165 Q169	S158-Q162 WeakPolarHBondContact O-CG 3.38Å; S158-Q162 PolarHBondContact O-N 3.04Å; Q162-L164 PolarHBondContact O-N 3.47Å; Q162-L164 VanDerWaalsContact O-N 3.15Å; Q162-Q165 PolarHBondContact O-N 3.35Å; Q162-Q169 PolarHBondContact O-NE2 3.29Å
163	S	96.4	Very high	94.3	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.014	30%	0.297	C	S	.	.	H	α-helix	trans	-61.5	-22.5	178.5	81.6	0	0	0	0	113.6	S78 S96 M159 Q160 I161 Q169	S78-S163 WeakPolarHBondContact CB-OG 3.34Å; S78-S163 WeakPolarHBondContact OG-CB 3.46Å; S78-S163 PolarHBondContact OG-OG 3.25Å; S96-S163 WeakPolarHBondContact CB-O 3.49Å; S96-S163 PolarHBondContact OG-O 3.38Å; M159-S163 WeakPolarHBondContact O-CB 3.44Å; M159-S163 PolarHBondContact O-N 3.33Å; Q160-S163 WeakPolarHBondContact O-CB 3.36Å; Q160-S163 PolarHBondContact O-N 2.95Å; Q160-S163 PolarHBondContact O-OG 2.88Å; I161-S163 PolarHBondContact O-N 3.44Å; S163-Q169 PolarHBondContact O-NE2 2.98Å
164	L	95.5	Very high	94.8	Very high	15 Å²	15	55.7 Å²	55.7	8%	0.079	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-9.8	177.6	-65.6	172.1	0	0	0	113.1	T71 N73 C76 M149 M156 Q160 I161 Q162 V166	T71-L164 HydrophobicContact CG2-CD1 3.88Å; T71-L164 HydrophobicContact CG2-CD2 4.01Å; T71-L164 HydrophobicContact CG2-CG 4.22Å; N73-L164 HydrophobicContact CB-CD1 3.72Å; N73-L164 HydrophobicContact CB-CD2 4.04Å; N73-L164 HydrophobicContact CB-CG 4.48Å; C76-L164 HydrophobicContact CB-CD2 4.01Å; C76-L164 PolarHBondContact SG-O 2.94Å; M149-L164 HydrophobicContact CE-CD1 4.1Å; M156-L164 HydrophobicContact CE-CD1 4.32Å; Q160-L164 PolarHBondContact O-N 3.01Å; I161-L164 PolarHBondContact O-N 3.16Å; I161-L164 VanDerWaalsContact O-N 3.16Å; Q162-L164 PolarHBondContact O-N 3.47Å; Q162-L164 VanDerWaalsContact O-N 3.15Å; L164-V166 VanDerWaalsContact C-N 3.27Å; L164-V166 PolarHBondContact O-N 2.92Å; L164-V166 VanDerWaalsContact O-N 3.09Å
165	Q	96.5	Very high	95.2	Very high	69 Å²	69	60.2 Å²	60.2	32%	0.322	31%	0.308	S	S	.	.			trans	-87.8	61.8	178.5	-60.5	-177.1	-47.7	0	0	111.2	Q162 D167 H168 Q169	Q162-Q165 PolarHBondContact O-N 3.35Å; Q165-D167 PolarHBondContact O-N 3.01Å; Q165-H168 HydrophobicContact CB-CB 3.93Å; Q165-H168 WeakPolarHBondContact O-CB 3.42Å; Q165-H168 PolarHBondContact O-N 3.11Å; Q165-Q169 PolarHBondContact O-N 2.78Å
166	V	97.6	Very high	95.4	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.018	28%	0.282	C	S	.	.	H	α-helix	trans	-56.6	-43.6	-170.6	-171.1	0	0	0	0	113	N98 V103 L164 H168 Q169 K170	N98-V166 HydrophobicContact CB-CB 4.18Å; N98-V166 HydrophobicContact CB-CG1 4.33Å; N98-V166 HydrophobicContact CB-CG2 4.07Å; V103-V166 HydrophobicContact CG2-CG1 4.05Å; L164-V166 VanDerWaalsContact C-N 3.27Å; L164-V166 PolarHBondContact O-N 2.92Å; L164-V166 VanDerWaalsContact O-N 3.09Å; V166-H168 VanDerWaalsContact C-N 3.31Å; V166-H168 PolarHBondContact O-N 3.21Å; V166-Q169 PolarHBondContact O-N 2.86Å; V166-K170 WeakPolarHBondContact O-CB 3.37Å; V166-K170 PolarHBondContact O-N 3.06Å
167	D	97.3	Very high	95.6	Very high	95 Å²	95	57.3 Å²	57.3	51%	0.508	29%	0.286	S	S	.	.	H	α-helix	trans	-67.5	-33.1	178.6	-66.3	-47.3	0	0	0	112.2	N98 Q165 K170 Q171	N98-D167 PolarHBondContact ND2-OD1 3.31Å; Q165-D167 PolarHBondContact O-N 3.01Å; D167-K170 WeakPolarHBondContact O-CB 3.21Å; D167-K170 PolarHBondContact O-N 2.94Å; D167-Q171 WeakPolarHBondContact O-CG 3.35Å; D167-Q171 PolarHBondContact O-N 3Å; D167-Q171 VanDerWaalsContact O-N 3.16Å
168	H	97.7	Very high	95.8	Very high	101 Å²	101	57.9 Å²	57.9	47%	0.468	29%	0.286	S	S	.	.	H	α-helix	trans	-68	-46.3	175.3	-175.8	59.5	0	0	0	110.8	Q165 V166 K170 Q171 Q172	Q165-H168 HydrophobicContact CB-CB 3.93Å; Q165-H168 WeakPolarHBondContact O-CB 3.42Å; Q165-H168 PolarHBondContact O-N 3.11Å; V166-H168 VanDerWaalsContact C-N 3.31Å; V166-H168 PolarHBondContact O-N 3.21Å; H168-K170 VanDerWaalsContact C-N 3.26Å; H168-K170 PolarHBondContact O-N 2.82Å; H168-Q171 WeakPolarHBondContact O-CB 3.43Å; H168-Q171 PolarHBondContact O-N 3.4Å; H168-Q172 PolarHBondContact CD2-OE1 2.92Å; H168-Q172 WeakPolarHBondContact O-CG 3.34Å; H168-Q172 PolarHBondContact O-N 2.81Å
169	Q	97.9	Very high	95.7	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.009	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-39.2	175.1	-66.1	178.9	20.4	0	0	112.2	S96 V103 Q162 S163 Q165 V166 Q171 Q172 C173	S96-Q169 VanDerWaalsContact CB-OE1 3.24Å; S96-Q169 PolarHBondContact OG-NE2 2.75Å; S96-Q169 VanDerWaalsContact OG-NE2 3.07Å; S96-Q169 PolarHBondContact OG-OE1 3.34Å; V103-Q169 HydrophobicContact CB-CB 4.44Å; V103-Q169 HydrophobicContact CG1-CB 4.11Å; Q162-Q169 PolarHBondContact O-NE2 3.29Å; S163-Q169 PolarHBondContact O-NE2 2.98Å; Q165-Q169 PolarHBondContact O-N 2.78Å; V166-Q169 PolarHBondContact O-N 2.86Å; Q169-Q171 VanDerWaalsContact C-N 3.31Å; Q169-Q171 PolarHBondContact O-N 3.02Å; Q169-Q172 PolarHBondContact O-N 3.31Å; Q169-C173 VanDerWaalsContact O-CB 3.24Å; Q169-C173 WeakPolarHBondContact O-CB 3.37Å; Q169-C173 PolarHBondContact O-N 3.16Å
170	K	97.7	Very high	95.5	Very high	62 Å²	62	59.1 Å²	59.1	27%	0.27	29%	0.29	S	S	.	.	H	α-helix	trans	-57.5	-44.5	173.8	-177.5	-176.7	-174.4	163.7	0	111.4	T101 V103 I118 V166 D167 H168 C173 L174	T101-K170 HydrophobicContact CG2-CD 4.21Å; T101-K170 PolarHBondContact OG1-NZ 3.13Å; V103-K170 HydrophobicContact CG2-CB 4.13Å; I118-K170 HydrophobicContact CD1-CG 3.98Å; I118-K170 HydrophobicContact CG1-CG 4.46Å; I118-K170 HydrophobicContact CG2-CG 4.37Å; V166-K170 WeakPolarHBondContact O-CB 3.37Å; V166-K170 PolarHBondContact O-N 3.06Å; D167-K170 WeakPolarHBondContact O-CB 3.21Å; D167-K170 PolarHBondContact O-N 2.94Å; H168-K170 VanDerWaalsContact C-N 3.26Å; H168-K170 PolarHBondContact O-N 2.82Å; K170-C173 PolarHBondContact O-N 2.98Å; K170-L174 HydrophobicContact CG-CD1 4.4Å; K170-L174 VanDerWaalsContact O-CG 3.31Å; K170-L174 WeakPolarHBondContact O-CG 3.08Å; K170-L174 PolarHBondContact O-N 2.66Å
171	Q	98.1	Very high	95.1	Very high	116 Å²	116	64.7 Å²	64.7	54%	0.542	32%	0.319	S	S	.	.	H	α-helix	trans	-65.5	-46	177	-64.8	-55.1	-38.8	0	0	112.1	D167 H168 Q169 C173 L174 E175	D167-Q171 WeakPolarHBondContact O-CG 3.35Å; D167-Q171 PolarHBondContact O-N 3Å; D167-Q171 VanDerWaalsContact O-N 3.16Å; H168-Q171 WeakPolarHBondContact O-CB 3.43Å; H168-Q171 PolarHBondContact O-N 3.4Å; Q169-Q171 VanDerWaalsContact C-N 3.31Å; Q169-Q171 PolarHBondContact O-N 3.02Å; Q171-C173 PolarHBondContact O-N 3.4Å; Q171-L174 PolarHBondContact O-N 3.37Å; Q171-E175 PolarHBondContact O-N 3.46Å
172	Q	97.6	Very high	94.8	Very high	66 Å²	66	65.4 Å²	65.4	31%	0.308	32%	0.321	S	S	.	.	H	α-helix	trans	-58.4	-37.4	175.6	-66.7	178.3	-67.5	0	0	111.6	L113 H168 Q169 E175 L176	L113-Q172 HydrophobicContact CD2-CB 4.13Å; H168-Q172 PolarHBondContact CD2-OE1 2.92Å; H168-Q172 WeakPolarHBondContact O-CG 3.34Å; H168-Q172 PolarHBondContact O-N 2.81Å; Q169-Q172 PolarHBondContact O-N 3.31Å; Q172-E175 PolarHBondContact O-N 3.34Å; Q172-L176 WeakPolarHBondContact O-CB 3.42Å; Q172-L176 PolarHBondContact O-N 3.44Å
173	C	97.3	Very high	94.3	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-68.1	-43.1	177.5	-174	0	0	0	0	112.7	C116 I118 Q169 K170 Q171 E175 L176 H177	C116-C173 HydrophobicContact CB-CB 3.77Å; C116-C173 WeakPolarHBondContact CB-SG 3.18Å; C116-C173 WeakPolarHBondContact SG-CA 3.44Å; C116-C173 WeakPolarHBondContact SG-CB 3.46Å; C116-C173 CovalentContact SG-SG 2.02Å; C116-C173 PolarHBondContact SG-SG 2.84Å; I118-C173 HydrophobicContact CD1-CB 3.96Å; I118-C173 HydrophobicContact CG1-CB 4.1Å; Q169-C173 VanDerWaalsContact O-CB 3.24Å; Q169-C173 WeakPolarHBondContact O-CB 3.37Å; Q169-C173 PolarHBondContact O-N 3.16Å; K170-C173 PolarHBondContact O-N 2.98Å; Q171-C173 PolarHBondContact O-N 3.4Å; C173-E175 VanDerWaalsContact C-N 3.33Å; C173-E175 PolarHBondContact O-N 2.79Å; C173-L176 PolarHBondContact O-N 2.97Å; C173-H177 WeakPolarHBondContact O-CB 3.15Å; C173-H177 PolarHBondContact O-CD2 2.95Å; C173-H177 VanDerWaalsContact O-CG 3.29Å; C173-H177 PolarHBondContact O-N 2.95Å; C173-H177 VanDerWaalsContact SG-CE1 3.59Å; C173-H177 PolarHBondContact SG-NE2 2.98Å
174	L	97.2	Very high	93.5	Very high	79 Å²	79	66.5 Å²	66.5	41%	0.414	34%	0.344	S	S	.	.	H	α-helix	trans	-62	-40.6	174.8	-70	169.8	0	0	0	111.9	I118 K170 Q171 H177 E178	I118-L174 HydrophobicContact CD1-CD2 3.79Å; I118-L174 HydrophobicContact CD1-CG 3.82Å; K170-L174 HydrophobicContact CG-CD1 4.4Å; K170-L174 VanDerWaalsContact O-CG 3.31Å; K170-L174 WeakPolarHBondContact O-CG 3.08Å; K170-L174 PolarHBondContact O-N 2.66Å; Q171-L174 PolarHBondContact O-N 3.37Å; L174-H177 PolarHBondContact O-N 3.18Å; L174-E178 PolarHBondContact O-N 3.4Å
175	E	97.3	Very high	92.9	Very high	132 Å²	132	69.3 Å²	69.3	62%	0.617	36%	0.362	S	S	*	.	H	α-helix	trans	-64.3	-41.8	175.3	-175.9	177.3	-169.3	0	0	111.8	Q171 Q172 C173 E178 T179	Q171-E175 PolarHBondContact O-N 3.46Å; Q172-E175 PolarHBondContact O-N 3.34Å; C173-E175 VanDerWaalsContact C-N 3.33Å; C173-E175 PolarHBondContact O-N 2.79Å; E175-E178 PolarHBondContact O-N 2.8Å; E175-T179 WeakPolarHBondContact O-CB 3.44Å; E175-T179 PolarHBondContact O-N 3.11Å; E175-T179 PolarHBondContact O-OG1 3.3Å
176	L	94.6	Very high	92.2	Very high	36 Å²	36	71 Å²	71	19%	0.188	37%	0.373	C	S	.	.	H	α-helix	trans	-62	-46.1	174	177.6	60.2	0	0	0	111.2	L113 Q172 C173 E178 T179 I180	L113-L176 HydrophobicContact CD2-CB 4.28Å; L113-L176 HydrophobicContact CD2-CD2 3.84Å; L113-L176 HydrophobicContact CG-CD2 3.81Å; Q172-L176 WeakPolarHBondContact O-CB 3.42Å; Q172-L176 PolarHBondContact O-N 3.44Å; C173-L176 PolarHBondContact O-N 2.97Å; L176-E178 VanDerWaalsContact C-N 3.34Å; L176-E178 PolarHBondContact O-N 2.75Å; L176-T179 WeakPolarHBondContact O-CB 3.3Å; L176-T179 PolarHBondContact O-N 3.16Å; L176-I180 HydrophobicContact CD1-CD1 3.98Å; L176-I180 HydrophobicContact CD1-CG1 4.25Å; L176-I180 HydrophobicContact CG-CD1 3.79Å; L176-I180 WeakPolarHBondContact O-CD1 2.97Å; L176-I180 VanDerWaalsContact O-CG1 3.31Å; L176-I180 WeakPolarHBondContact O-CG1 3.43Å; L176-I180 PolarHBondContact O-N 3.34Å
177	H	93.7	Very high	91.3	Very high	60 Å²	60	74.5 Å²	74.5	28%	0.278	39%	0.394	S	S	.	.	H	α-helix	trans	-59.5	-44	177.3	-73.2	-178	0	0	0	111.8	C116 C173 L174 T179 I180 L181	C116-H177 PolarHBondContact O-NE2 3.44Å; C173-H177 WeakPolarHBondContact O-CB 3.15Å; C173-H177 PolarHBondContact O-CD2 2.95Å; C173-H177 VanDerWaalsContact O-CG 3.29Å; C173-H177 PolarHBondContact O-N 2.95Å; C173-H177 VanDerWaalsContact SG-CE1 3.59Å; C173-H177 PolarHBondContact SG-NE2 2.98Å; L174-H177 PolarHBondContact O-N 3.18Å; H177-T179 VanDerWaalsContact C-N 3.35Å; H177-T179 PolarHBondContact O-N 3.4Å; H177-I180 PolarHBondContact O-N 3.22Å; H177-L181 VanDerWaalsContact O-CG 3.3Å; H177-L181 WeakPolarHBondContact O-CG 3.01Å; H177-L181 PolarHBondContact O-N 3.16Å
178	E	94	Very high	90.4	Very high	116 Å²	116	73 Å²	73	54%	0.542	39%	0.389	S	S	.	.	H	α-helix	trans	-60.4	-46	175.4	-174.4	176.4	176.4	0	0	111.3	L174 E175 L176 I180 L181 Q182	L174-E178 PolarHBondContact O-N 3.4Å; E175-E178 PolarHBondContact O-N 2.8Å; L176-E178 VanDerWaalsContact C-N 3.34Å; L176-E178 PolarHBondContact O-N 2.75Å; E178-I180 VanDerWaalsContact C-N 3.32Å; E178-I180 PolarHBondContact O-N 3.37Å; E178-L181 PolarHBondContact O-N 2.96Å; E178-Q182 HydrophobicContact CG-CG 4.41Å; E178-Q182 WeakPolarHBondContact O-CG 3.39Å; E178-Q182 PolarHBondContact O-N 3.48Å; E178-Q182 PolarHBondContact OE1-NE2 3.18Å
179	T	91	Very high	89.6	Confident	78 Å²	78	72.5 Å²	72.5	48%	0.479	39%	0.39	S	S	.	.	H	α-helix	trans	-59	-43.5	178.3	-59.4	0	0	0	0	111.7	E175 L176 H177 Q182 A183	E175-T179 WeakPolarHBondContact O-CB 3.44Å; E175-T179 PolarHBondContact O-N 3.11Å; E175-T179 PolarHBondContact O-OG1 3.3Å; L176-T179 WeakPolarHBondContact O-CB 3.3Å; L176-T179 PolarHBondContact O-N 3.16Å; H177-T179 VanDerWaalsContact C-N 3.35Å; H177-T179 PolarHBondContact O-N 3.4Å; T179-Q182 PolarHBondContact O-N 3.33Å; T179-A183 WeakPolarHBondContact O-CB 3.43Å; T179-A183 PolarHBondContact O-N 3.29Å
180	I	85.8	Confident	88.6	Confident	44 Å²	44	79.2 Å²	79.2	23%	0.226	42%	0.415	C	S	.	.	H	α-helix	trans	-62.6	-44.7	176.9	-69.8	160.2	0	0	0	110.9	L176 H177 E178 A183 A184 F271	L176-I180 HydrophobicContact CD1-CD1 3.98Å; L176-I180 HydrophobicContact CD1-CG1 4.25Å; L176-I180 HydrophobicContact CG-CD1 3.79Å; L176-I180 WeakPolarHBondContact O-CD1 2.97Å; L176-I180 VanDerWaalsContact O-CG1 3.31Å; L176-I180 WeakPolarHBondContact O-CG1 3.43Å; L176-I180 PolarHBondContact O-N 3.34Å; H177-I180 PolarHBondContact O-N 3.22Å; E178-I180 VanDerWaalsContact C-N 3.32Å; E178-I180 PolarHBondContact O-N 3.37Å; I180-A183 PolarHBondContact O-N 3.43Å; I180-A184 WeakPolarHBondContact O-CB 3.48Å; I180-A184 PolarHBondContact O-N 3.5Å; I180-F271 HydrophobicContact CD1-CE1 3.79Å; I180-F271 HydrophobicContact CD1-CZ 4.44Å; I180-F271 HydrophobicContact CG1-CE1 4.15Å; I180-F271 HydrophobicContact CG1-CZ 4.42Å; I180-F271 HydrophobicContact CG2-CE1 4.28Å; I180-F271 HydrophobicContact CG2-CZ 3.84Å
181	L	85.3	Confident	87.7	Confident	118 Å²	118	80.4 Å²	80.4	62%	0.618	42%	0.421	S	S	*	.	H	α-helix	trans	-63.8	-41.2	178.2	-70	171.7	0	0	0	111.8	H177 E178 A184 T185	H177-L181 VanDerWaalsContact O-CG 3.3Å; H177-L181 WeakPolarHBondContact O-CG 3.01Å; H177-L181 PolarHBondContact O-N 3.16Å; E178-L181 PolarHBondContact O-N 2.96Å; L181-A184 PolarHBondContact O-N 2.82Å; L181-T185 VanDerWaalsContact O-CG2 3.32Å; L181-T185 WeakPolarHBondContact O-CG2 3.47Å; L181-T185 PolarHBondContact O-N 3.33Å; L181-T185 PolarHBondContact O-OG1 2.97Å; L181-T185 VanDerWaalsContact O-OG1 3.07Å
182	Q	88.5	Confident	86.7	Confident	98 Å²	98	81.3 Å²	81.3	46%	0.458	42%	0.423	S	S	.	.	H	α-helix	trans	-63.2	-41.8	174.5	-69.9	179.4	9.6	0	0	111.7	E178 T179 T185 N186	E178-Q182 HydrophobicContact CG-CG 4.41Å; E178-Q182 WeakPolarHBondContact O-CG 3.39Å; E178-Q182 PolarHBondContact O-N 3.48Å; E178-Q182 PolarHBondContact OE1-NE2 3.18Å; T179-Q182 PolarHBondContact O-N 3.33Å; Q182-T185 WeakPolarHBondContact CA-OG1 3.19Å; Q182-T185 PolarHBondContact O-N 3.19Å; Q182-T185 PolarHBondContact O-OG1 2.97Å; Q182-N186 WeakPolarHBondContact O-CB 3.42Å; Q182-N186 VanDerWaalsContact O-CG 3.26Å; Q182-N186 PolarHBondContact O-N 2.8Å; Q182-N186 PolarHBondContact O-ND2 3.05Å; Q182-N186 VanDerWaalsContact O-ND2 3.16Å
183	A	82.7	Confident	85.9	Confident	55 Å²	55	87.7 Å²	87.7	46%	0.455	45%	0.445	S	S	.	.	H	α-helix	trans	-63	-44.6	175.7	0	0	0	0	0	112	T179 I180 T185 N186 V187	T179-A183 WeakPolarHBondContact O-CB 3.43Å; T179-A183 PolarHBondContact O-N 3.29Å; I180-A183 PolarHBondContact O-N 3.43Å; A183-T185 PolarHBondContact O-N 2.99Å; A183-N186 PolarHBondContact O-N 3.36Å; A183-V187 WeakPolarHBondContact O-CG2 3.43Å; A183-V187 PolarHBondContact O-N 2.02Å
184	A	79.9	Confident	84.5	Confident	51 Å²	51	94.7 Å²	94.7	42%	0.421	47%	0.471	S	S	.	.	H	α-helix	trans	-63.5	-41.4	178.7	0	0	0	0	0	112.7	I180 L181 V187 T188	I180-A184 WeakPolarHBondContact O-CB 3.48Å; I180-A184 PolarHBondContact O-N 3.5Å; L181-A184 PolarHBondContact O-N 2.82Å; A184-V187 PolarHBondContact O-N 3.13Å; A184-T188 PolarHBondContact O-N 3.19Å; A184-T188 PolarHBondContact O-OG1 3.12Å
185	T	83.4	Confident	83.2	Confident	75 Å²	75	98.9 Å²	98.9	46%	0.46	48%	0.482	S	S	.	.	H	α-helix	trans	-66.3	-39.5	176.7	53	0	0	0	0	111.9	L181 Q182 A183 T188 N189	L181-T185 VanDerWaalsContact O-CG2 3.32Å; L181-T185 WeakPolarHBondContact O-CG2 3.47Å; L181-T185 PolarHBondContact O-N 3.33Å; L181-T185 PolarHBondContact O-OG1 2.97Å; L181-T185 VanDerWaalsContact O-OG1 3.07Å; Q182-T185 WeakPolarHBondContact CA-OG1 3.19Å; Q182-T185 PolarHBondContact O-N 3.19Å; Q182-T185 PolarHBondContact O-OG1 2.97Å; A183-T185 PolarHBondContact O-N 2.99Å; T185-T188 WeakPolarHBondContact O-CB 3.38Å; T185-T188 PolarHBondContact O-N 3.5Å; T185-N189 PolarHBondContact O-N 3.07Å; T185-N189 PolarHBondContact O-ND2 3.43Å
186	N	82.4	Confident	82.2	Confident	105 Å²	105	96.2 Å²	96.2	56%	0.561	48%	0.482	S	S	*	.	H	α-helix	trans	-63.4	-42	175.4	-75.4	-29.1	0	0	0	112.9	Q182 A183 T188 N189 R190	Q182-N186 WeakPolarHBondContact O-CB 3.42Å; Q182-N186 VanDerWaalsContact O-CG 3.26Å; Q182-N186 PolarHBondContact O-N 2.8Å; Q182-N186 PolarHBondContact O-ND2 3.05Å; Q182-N186 VanDerWaalsContact O-ND2 3.16Å; A183-N186 PolarHBondContact O-N 3.36Å; N186-T188 VanDerWaalsContact C-N 3.32Å; N186-T188 PolarHBondContact O-N 2.8Å; N186-N189 PolarHBondContact O-N 3.15Å; N186-R190 WeakPolarHBondContact O-CB 3.31Å; N186-R190 PolarHBondContact O-N 3.01Å
187	V	77.4	Confident	81	Confident	75 Å²	75	99 Å²	99	46%	0.455	51%	0.505	S	S	.	.	H	α-helix	trans	-60.3	-44.6	173.3	171.8	0	0	0	0	110.5	A183 A184 N189 R190 E191 L267	A183-V187 WeakPolarHBondContact O-CG2 3.43Å; A183-V187 PolarHBondContact O-N 2.02Å; A184-V187 PolarHBondContact O-N 3.13Å; V187-N189 PolarHBondContact O-N 2.63Å; V187-R190 PolarHBondContact O-N 3.27Å; V187-E191 WeakPolarHBondContact O-CB 3.31Å; V187-E191 PolarHBondContact O-N 3.26Å; V187-L267 HydrophobicContact CG1-CD2 4.39Å
188	T	79.6	Confident	79.3	Confident	65 Å²	65	103 Å²	103	40%	0.399	52%	0.517	S	S	.	.	H	α-helix	trans	-61.2	-44.2	178.4	-56.8	0	0	0	0	111.9	A184 T185 N186 E191 K192	A184-T188 PolarHBondContact O-N 3.19Å; A184-T188 PolarHBondContact O-OG1 3.12Å; T185-T188 WeakPolarHBondContact O-CB 3.38Å; T185-T188 PolarHBondContact O-N 3.5Å; N186-T188 VanDerWaalsContact C-N 3.32Å; N186-T188 PolarHBondContact O-N 2.8Å; T188-E191 PolarHBondContact O-N 2.76Å; T188-K192 WeakPolarHBondContact O-CG 3.43Å; T188-K192 PolarHBondContact O-N 3.34Å
189	N	80.9	Confident	77.3	Confident	90 Å²	90	106.4 Å²	106.4	48%	0.481	53%	0.533	S	S	.	.	H	α-helix	trans	-66.3	-41.2	177.6	-72	-24.1	0	0	0	112	T185 N186 V187 E191 K192 R193	T185-N189 PolarHBondContact O-N 3.07Å; T185-N189 PolarHBondContact O-ND2 3.43Å; N186-N189 PolarHBondContact O-N 3.15Å; V187-N189 PolarHBondContact O-N 2.63Å; N189-E191 VanDerWaalsContact C-N 3.34Å; N189-K192 PolarHBondContact O-N 3.02Å; N189-R193 PolarHBondContact O-N 3.25Å
190	R	76.8	Confident	75.2	Confident	143 Å²	143	107.9 Å²	107.9	54%	0.54	55%	0.546	S	S	.	.	H	α-helix	trans	-58.8	-47.7	172.8	175.9	174.9	170.7	-178.1	5.2	110.1	N186 V187 R193 W194	N186-R190 WeakPolarHBondContact O-CB 3.31Å; N186-R190 PolarHBondContact O-N 3.01Å; V187-R190 PolarHBondContact O-N 3.27Å; R190-R193 WeakPolarHBondContact O-CB 2.91Å; R190-R193 PolarHBondContact O-N 2.83Å; R190-W194 VanDerWaalsContact CG-CD1 3.48Å; R190-W194 VanDerWaalsContact CG-NE1 3.31Å; R190-W194 PolarHBondContact O-N 3.04Å
191	E	77.9	Confident	73.1	Confident	87 Å²	87	114.2 Å²	114.2	41%	0.407	57%	0.568	S	S	.	*	H	α-helix	trans	-62.1	-44	178.7	-169.9	177.5	-176.9	0	0	112.6	V187 T188 N189 R193 W194 R195	V187-E191 WeakPolarHBondContact O-CB 3.31Å; V187-E191 PolarHBondContact O-N 3.26Å; T188-E191 PolarHBondContact O-N 2.76Å; N189-E191 VanDerWaalsContact C-N 3.34Å; E191-R193 VanDerWaalsContact C-N 3.3Å; E191-R193 PolarHBondContact O-N 3.31Å; E191-W194 PolarHBondContact O-N 3.24Å; E191-W194 VanDerWaalsContact O-N 3.17Å; E191-R195 HydrophobicContact CG-CG 4.49Å; E191-R195 WeakPolarHBondContact O-CG 2.99Å; E191-R195 PolarHBondContact O-N 2.72Å; E191-R195 IonicContact OE1-CZ 3.26Å; E191-R195 VanDerWaalsContact OE1-CZ 3.26Å; E191-R195 IonicContact OE1-NE 3.26Å; E191-R195 PolarHBondContact OE1-NE 2.72Å; E191-R195 IonicContact OE1-NH2 2.92Å; E191-R195 PolarHBondContact OE1-NH2 3.25Å; E191-R195 IonicContact OE2-NH2 3.71Å
192	K	78.5	Confident	71.1	Confident	135 Å²	135	116 Å²	116	59%	0.587	58%	0.579	S	S	*	*	H	α-helix	trans	-56.1	-44.9	172.8	-74.7	176.2	-178.8	174.7	0	111.6	T188 N189 R195 A196	T188-K192 WeakPolarHBondContact O-CG 3.43Å; T188-K192 PolarHBondContact O-N 3.34Å; N189-K192 PolarHBondContact O-N 3.02Å; K192-R195 PolarHBondContact O-N 3.45Å; K192-A196 PolarHBondContact O-N 2.04Å
193	R	79	Confident	69.3	Low	199 Å²	199	116.3 Å²	116.3	75%	0.751	59%	0.591	S	S	*	*	H	α-helix	trans	-62.1	-44	175.5	-174.7	175.7	-178.7	131.5	-0.3	111.9	N189 R190 E191 A196 S197	N189-R193 PolarHBondContact O-N 3.25Å; R190-R193 WeakPolarHBondContact O-CB 2.91Å; R190-R193 PolarHBondContact O-N 2.83Å; E191-R193 VanDerWaalsContact C-N 3.3Å; E191-R193 PolarHBondContact O-N 3.31Å; R193-A196 PolarHBondContact O-N 2.9Å; R193-S197 PolarHBondContact O-N 3.3Å; R193-S197 VanDerWaalsContact O-N 3.16Å; R193-S197 PolarHBondContact O-OG 2.94Å
194	W	68.5	Low	67.2	Low	147 Å²	147	120 Å²	120	56%	0.557	61%	0.608	S	S	*	*	H	α-helix	trans	-60.8	-44.4	175.2	-77.5	107.6	0	0	0	112.3	R190 E191 S197 R198	R190-W194 VanDerWaalsContact CG-CD1 3.48Å; R190-W194 VanDerWaalsContact CG-NE1 3.31Å; R190-W194 PolarHBondContact O-N 3.04Å; E191-W194 PolarHBondContact O-N 3.24Å; E191-W194 VanDerWaalsContact O-N 3.17Å; W194-S197 PolarHBondContact O-N 3.44Å; W194-R198 VanDerWaalsContact O-CB 3.25Å; W194-R198 WeakPolarHBondContact O-CB 3.24Å; W194-R198 PolarHBondContact O-N 3.29Å
195	R	70.4	Confident	65.2	Low	168 Å²	168	121.7 Å²	121.7	63%	0.634	63%	0.631	S	S	*	*	H	α-helix	trans	-63.2	-43.6	178.5	-70.9	178.5	-175.1	-178.1	0.4	111.6	E191 K192 S197 R198	E191-R195 HydrophobicContact CG-CG 4.49Å; E191-R195 WeakPolarHBondContact O-CG 2.99Å; E191-R195 PolarHBondContact O-N 2.72Å; E191-R195 IonicContact OE1-CZ 3.26Å; E191-R195 VanDerWaalsContact OE1-CZ 3.26Å; E191-R195 IonicContact OE1-NE 3.26Å; E191-R195 PolarHBondContact OE1-NE 2.72Å; E191-R195 IonicContact OE1-NH2 2.92Å; E191-R195 PolarHBondContact OE1-NH2 3.25Å; E191-R195 IonicContact OE2-NH2 3.71Å; K192-R195 PolarHBondContact O-N 3.45Å; R195-S197 VanDerWaalsContact C-N 3.26Å; R195-S197 PolarHBondContact O-N 3.34Å; R195-R198 PolarHBondContact O-N 2.84Å; R195-R198 VanDerWaalsContact O-N 3.15Å
196	A	75.7	Confident	63	Low	75 Å²	75	126.2 Å²	126.2	62%	0.62	65%	0.647	S	S	*	*	H	α-helix	trans	-60.5	-34.2	176.3	0	0	0	0	0	112.8	K192 R193	K192-A196 PolarHBondContact O-N 2.04Å; R193-A196 PolarHBondContact O-N 2.9Å
197	S	69.9	Low	61.1	Low	96 Å²	96	132.7 Å²	132.7	67%	0.671	66%	0.663	S	S	*	*	H	α-helix	trans	-82	-11.2	177.9	-57.8	0	0	0	0	114.7	R193 W194 R195	R193-S197 PolarHBondContact O-N 3.3Å; R193-S197 VanDerWaalsContact O-N 3.16Å; R193-S197 PolarHBondContact O-OG 2.94Å; W194-S197 PolarHBondContact O-N 3.44Å; R195-S197 VanDerWaalsContact C-N 3.26Å; R195-S197 PolarHBondContact O-N 3.34Å
198	R	57.5	Low	59.9	Low	144 Å²	144	133.1 Å²	133.1	54%	0.543	66%	0.663	S	S	.	*			trans	-112.6	32.9	-165.4	-154.5	175.6	169.9	156.4	-2	114.5	W194 R195 S200	W194-R198 VanDerWaalsContact O-CB 3.25Å; W194-R198 WeakPolarHBondContact O-CB 3.24Å; W194-R198 PolarHBondContact O-N 3.29Å; R195-R198 PolarHBondContact O-N 2.84Å; R195-R198 VanDerWaalsContact O-N 3.15Å; R198-S200 PolarHBondContact O-N 3.32Å
199	H	51.8	Low	58.4	Low	187 Å²	187	141 Å²	141	87%	0.866	69%	0.685	S	S	*	*	S	Bend	trans	-61.7	14.6	167.9	-91.1	-71.3	0	0	0	115.2
200	S	48.1	Very low	57	Low	108 Å²	108	142.2 Å²	142.2	76%	0.755	69%	0.688	S	S	*	*	S	Bend	trans	-154.3	100	171.5	-178.3	0	0	0	0	108.9	R198	R198-S200 PolarHBondContact O-N 3.32Å
201	Y	40.5	Very low	55.9	Low	177 Å²	177	138.5 Å²	138.5	69%	0.694	68%	0.678	S	S	*	*			trans	175.4	117.3	144.4	-164.1	-106.8	0	0	0	111.5
202	N	44.2	Very low	54.8	Low	156 Å²	156	142.7 Å²	142.7	83%	0.834	70%	0.695	S	S	*	*			trans	-73.9	128.7	172.7	-76.8	-22.2	0	0	0	110.7
203	S	49.7	Very low	53.7	Low	104 Å²	104	138.6 Å²	138.6	73%	0.727	68%	0.676	S	S	*	*			trans	-107.5	117	178.6	-166.8	0	0	0	0	111.4
204	T	38.7	Very low	52.5	Low	132 Å²	132	130.9 Å²	130.9	81%	0.81	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-72.2	135.7	170.9	44.7	0	0	0	0	111.4
205	G	39.3	Very low	51.2	Low	87 Å²	87	130.8 Å²	130.8	90%	0.897	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-72.3	122.5	-178.7	0	0	0	0	0	112.8
206	H	37.2	Very low	50.3	Low	171 Å²	171	123.1 Å²	123.1	79%	0.792	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-98.3	135.6	168.3	-155.8	-83.4	0	0	0	109	L208	H206-L208 PolarHBondContact O-N 2.96Å
207	R	41.8	Very low	49.3	Very low	240 Å²	240	124.4 Å²	124.4	91%	0.906	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-61.4	126.5	176.4	-69.9	-179.6	-170.3	173.4	2.8	109.4
208	L	51.7	Low	49.2	Very low	85 Å²	85	123.3 Å²	123.3	45%	0.445	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-87.9	128.8	-174	-64.7	166	0	0	0	109.7	H206 M256 Y265	H206-L208 PolarHBondContact O-N 2.96Å; L208-M256 HydrophobicContact CD1-CG 3.54Å; L208-M256 HydrophobicContact CD1-SD 3.55Å; L208-M256 VanDerWaalsContact CD1-SD 3.55Å; L208-Y265 HydrophobicContact CD2-CE1 4.47Å
209	R	49	Very low	50	Low	229 Å²	229	118 Å²	118	86%	0.864	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-82.1	120.9	174.7	-165.6	172.1	169.8	171.2	-3.6	107.5	D211	R209-D211 PolarHBondContact O-N 3.4Å
210	H	50.8	Low	51.1	Low	117 Å²	117	116 Å²	116	54%	0.542	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-58.1	122.3	174.5	-74.2	-98.4	0	0	0	109.1	Q253 P255	H210-Q253 PolarHBondContact CE1-O 3.29Å; H210-Q253 PolarHBondContact ND1-O 3.43Å; H210-P255 WeakPolarHBondContact ND1-CA 3.19Å
211	D	54.5	Low	52.5	Low	64 Å²	64	115.7 Å²	115.7	34%	0.342	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-84.2	127.3	166.9	-124	-31.3	0	0	0	107.8	R209 R213 K264	R209-D211 PolarHBondContact O-N 3.4Å; D211-R213 PolarHBondContact O-N 3.41Å; D211-K264 IonicContact OD2-NZ 2.82Å; D211-K264 PolarHBondContact OD2-NZ 3.12Å
212	K	54.2	Low	54.5	Low	175 Å²	175	108.9 Å²	108.9	76%	0.761	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-71.2	123.7	174.4	-133.9	173.3	-175.1	175.3	0	106.9	S214	K212-S214 PolarHBondContact O-N 3.18Å
213	R	54.9	Low	56.6	Low	50 Å²	50	101.7 Å²	101.7	19%	0.189	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-49.4	132.2	174.6	-164.3	173	-171.5	165.1	3.9	109.3	D211 K215 H251 D252 T274	D211-R213 PolarHBondContact O-N 3.41Å; R213-K215 PolarHBondContact O-N 3.26Å; R213-H251 PolarHBondContact NH1-ND1 3.1Å; R213-D252 WeakPolarHBondContact CD-OD1 3.37Å; R213-D252 IonicContact CZ-OD1 3.77Å; R213-D252 IonicContact NE-OD1 2.64Å; R213-D252 IonicContact NH1-OD1 3.98Å; R213-D252 PolarHBondContact NH1-OD1 2.05Å; R213-T274 HydrophobicContact CG-CG2 4.15Å; R213-T274 WeakPolarHBondContact CG-OG1 3.02Å
214	S	53.7	Low	58.5	Low	36 Å²	36	100.8 Å²	100.8	25%	0.252	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-49.5	130.9	173.6	170.9	0	0	0	0	109.1	K212 R216 T228	K212-S214 PolarHBondContact O-N 3.18Å; S214-R216 PolarHBondContact O-N 2.84Å; S214-T228 WeakPolarHBondContact O-CG2 3.16Å
215	K	42.6	Very low	61	Low	145 Å²	145	95.5 Å²	95.5	63%	0.63	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-75.5	121.2	176.3	-64.6	-178.5	179.4	-177.7	0	107.8	R213	R213-K215 PolarHBondContact O-N 3.26Å
216	R	50.5	Low	63.3	Low	7 Å²	7	92 Å²	92	3%	0.026	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.4	166.9	-55.3	170.9	168.2	-162.9	-13	109.4	S86 T87 D88 S214 L218 T228 S260 A272	S86-R216 CarbonylContact O-C 3.58Å; S86-R216 WeakPolarHBondContact O-CA 3.5Å; S86-R216 WeakPolarHBondContact O-CB 3.41Å; T87-R216 HydrophobicContact CG2-CB 3.66Å; T87-R216 HydrophobicContact CG2-CG 3.78Å; D88-R216 PolarHBondContact O-NH2 3.39Å; S214-R216 PolarHBondContact O-N 2.84Å; R216-L218 PolarHBondContact O-N 3.5Å; R216-T228 VanDerWaalsContact CB-CB 3.44Å; R216-T228 HydrophobicContact CB-CG2 3.36Å; R216-T228 HydrophobicContact CG-CG2 3.55Å; R216-T228 PolarHBondContact N-O 2.68Å; R216-T228 VanDerWaalsContact O-CB 3.32Å; R216-T228 WeakPolarHBondContact O-CB 3.46Å; R216-S260 PolarHBondContact NH2-OG 2.87Å; R216-A272 PolarHBondContact NH1-O 3.38Å
217	F	55	Low	65.3	Low	103 Å²	103	85.2 Å²	85.2	45%	0.452	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	24.5	-163.5	-62.6	-118.1	0	0	0	115.2	S86 Y219	S86-F217 WeakPolarHBondContact O-CD2 3.17Å; S86-F217 PolarHBondContact O-N 2.88Å; S86-F217 WeakPolarHBondContact OG-CA 3.18Å; S86-F217 WeakPolarHBondContact OG-CB 3.48Å; S86-F217 PolarHBondContact OG-N 2.99Å; F217-Y219 HydrophobicContact CB-CE2 4.14Å; F217-Y219 HydrophobicContact CG-CE2 4.5Å; F217-Y219 WeakPolarHBondContact O-CD2 3.16Å
218	L	67.6	Low	66.9	Low	72 Å²	72	74.9 Å²	74.9	38%	0.377	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	114.4	167.5	-72.4	175.9	0	0	0	109.7	L83 R216 G227 T228	L83-L218 HydrophobicContact CD1-CD1 3.78Å; L83-L218 HydrophobicContact CD1-CD2 3.55Å; L83-L218 HydrophobicContact CD1-CG 3.71Å; L83-L218 HydrophobicContact CD2-CD2 4.11Å; R216-L218 PolarHBondContact O-N 3.5Å; L218-G227 CarbonylContact O-C 3.5Å; L218-G227 WeakPolarHBondContact O-CA 3.46Å; L218-T228 PolarHBondContact O-N 3.43Å
219	Y	73.8	Confident	68	Low	34 Å²	34	71 Å²	71	13%	0.133	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.4	176.1	-56.9	-89.5	0	0	0	110.4	F217 C226 G229 R231	F217-Y219 HydrophobicContact CB-CE2 4.14Å; F217-Y219 HydrophobicContact CG-CE2 4.5Å; F217-Y219 WeakPolarHBondContact O-CD2 3.16Å; Y219-C226 CarbonylContact C-O 3.5Å; Y219-C226 VanDerWaalsContact CA-O 3.28Å; Y219-C226 WeakPolarHBondContact CA-O 3.16Å; Y219-G229 WeakPolarHBondContact CE1-O 3.39Å; Y219-R231 HydrophobicContact CD1-CG 3.95Å; Y219-R231 HydrophobicContact CD2-CG 3.93Å; Y219-R231 HydrophobicContact CE1-CG 3.67Å; Y219-R231 HydrophobicContact CE2-CG 3.51Å; Y219-R231 HydrophobicContact CG-CG 4.06Å; Y219-R231 VanDerWaalsContact CZ-CG 3.41Å
220	Y	76.3	Confident	69.5	Low	145 Å²	145	61.9 Å²	61.9	57%	0.569	31%	0.31	S	S	*	.			trans	-69.5	131.9	173.7	-169.7	-90.9	0	0	0	109.5	G222 T223 C226 H241	Y220-G222 PolarHBondContact O-N 3.47Å; Y220-T223 HydrophobicContact CD1-CG2 3.8Å; Y220-T223 HydrophobicContact CG-CG2 4.5Å; Y220-T223 PolarHBondContact O-N 3.48Å; Y220-T223 PolarHBondContact O-OG1 3.41Å; Y220-C226 PolarHBondContact N-O 3.21Å; Y220-H241 AromaticContact CE1-CD2 3.69Å; Y220-H241 AromaticContact CE1-NE2 3.92Å
221	P	77.4	Confident	70.9	Confident	100 Å²	100	62.4 Å²	62.4	65%	0.649	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	142.3	178.2	-27.6	35.6	0	0	0	112.5	T223	P221-T223 PolarHBondContact O-N 3.28Å
222	G	82.4	Confident	72.5	Confident	34 Å²	34	60.3 Å²	60.3	35%	0.351	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	10.7	-178.7	0	0	0	0	0	115.1	Y220 G239 E240 H241	Y220-G222 PolarHBondContact O-N 3.47Å; G222-G239 CarbonylContact O-C 3.53Å; G222-G239 VanDerWaalsContact O-CA 3.25Å; G222-G239 WeakPolarHBondContact O-CA 3.08Å; G222-E240 PolarHBondContact O-N 2.82Å; G222-H241 PolarHBondContact O-N 2.95Å
223	T	88.4	Confident	74	Confident	5 Å²	5	61.4 Å²	61.4	3%	0.031	30%	0.303	C	S	.	.			trans	-125.2	152.5	177.3	70.1	0	0	0	0	111.4	Y220 P221 C226 H241 D245	Y220-T223 HydrophobicContact CD1-CG2 3.8Å; Y220-T223 HydrophobicContact CG-CG2 4.5Å; Y220-T223 PolarHBondContact O-N 3.48Å; Y220-T223 PolarHBondContact O-OG1 3.41Å; P221-T223 PolarHBondContact O-N 3.28Å; T223-C226 HydrophobicContact CG2-CB 4.06Å; T223-C226 WeakPolarHBondContact OG1-CB 3.41Å; T223-C226 PolarHBondContact OG1-O 3.38Å; T223-H241 HydrophobicContact CG2-CB 3.96Å; T223-D245 WeakPolarHBondContact CB-OD1 3.43Å
224	Y	88.9	Confident	75.7	Confident	85 Å²	85	62.2 Å²	62.2	33%	0.333	32%	0.317	S	S	.	.	S	Bend	trans	-107.5	-21.8	173.4	-66.3	-77.9	0	0	0	113.4	T230 R231 Q237 F238 G239 D245	Y224-T230 CarbonylContact O-C 3.43Å; Y224-T230 WeakPolarHBondContact O-CA 3.25Å; Y224-T230 PolarHBondContact O-OG1 2.95Å; Y224-R231 HydrophobicContact CD1-CB 4.03Å; Y224-R231 PolarHBondContact O-N 3.47Å; Y224-Q237 HydrophobicContact CD2-CG 3.88Å; Y224-Q237 VanDerWaalsContact CE1-NE2 3.28Å; Y224-Q237 HydrophobicContact CE2-CG 3.96Å; Y224-Q237 HydrophobicContact CG-CG 4.2Å; Y224-Q237 VanDerWaalsContact CZ-NE2 3.3Å; Y224-F238 VanDerWaalsContact CD2-C 3.45Å; Y224-F238 WeakPolarHBondContact CE2-O 3.4Å; Y224-G239 VanDerWaalsContact CD2-N 3.32Å; Y224-D245 PolarHBondContact N-OD1 3.29Å; Y224-D245 PolarHBondContact N-OD2 3.12Å
225	W	90.4	Very high	77.3	Confident	22 Å²	22	63 Å²	63	8%	0.083	33%	0.326	C	S	.	.	S	Bend	trans	-108.3	-26.2	-175.4	-63.7	92.5	0	0	0	112.8	G227 T230 A232 A235 Q237 F238 D245 C248 R249	W225-G227 PolarHBondContact O-N 3.45Å; W225-G227 VanDerWaalsContact O-N 3.16Å; W225-T230 VanDerWaalsContact CE3-CB 3.48Å; W225-T230 HydrophobicContact CE3-CG2 4.06Å; W225-T230 VanDerWaalsContact CE3-OG1 3.23Å; W225-T230 HydrophobicContact CH2-CG2 4.34Å; W225-T230 HydrophobicContact CZ3-CG2 3.72Å; W225-A232 HydrophobicContact CD2-CB 4.13Å; W225-A232 VanDerWaalsContact CE2-CB 3.42Å; W225-A232 HydrophobicContact CH2-CB 4.1Å; W225-A232 HydrophobicContact CZ2-CB 3.4Å; W225-A235 WeakPolarHBondContact CZ2-O 3.43Å; W225-Q237 PolarHBondContact NE1-O 2.93Å; W225-F238 AromaticContact NE1-CD1 3.94Å; W225-D245 WeakPolarHBondContact CB-O 3.4Å; W225-D245 WeakPolarHBondContact CB-OD1 3.3Å; W225-D245 PolarHBondContact N-OD1 3.37Å; W225-C248 VanDerWaalsContact C-CB 3.5Å; W225-C248 HydrophobicContact CB-CB 3.67Å; W225-C248 WeakPolarHBondContact O-CB 3.2Å; W225-R249 HydrophobicContact CB-CB 4.25Å; W225-R249 HydrophobicContact CD2-CB 3.49Å; W225-R249 VanDerWaalsContact CD2-CB 3.49Å; W225-R249 HydrophobicContact CD2-CG 3.7Å; W225-R249 HydrophobicContact CE3-CB 3.71Å; W225-R249 HydrophobicContact CE3-CG 3.69Å; W225-R249 HydrophobicContact CG-CB 3.74Å; W225-R249 HydrophobicContact CG-CG 4.44Å; W225-R249 HydrophobicContact CH2-CG 3.77Å; W225-R249 HydrophobicContact CZ2-CB 4.45Å; W225-R249 HydrophobicContact CZ2-CG 3.78Å; W225-R249 HydrophobicContact CZ3-CB 4.28Å; W225-R249 HydrophobicContact CZ3-CG 3.72Å
226	C	88.2	Confident	79.6	Confident	12 Å²	12	61.8 Å²	61.8	8%	0.081	33%	0.326	C	S	.	.	S	Bend	trans	-81.8	101.3	-175.8	-59.7	0	0	0	0	111.5	Y219 Y220 T223 A244 C248	Y219-C226 CarbonylContact C-O 3.5Å; Y219-C226 VanDerWaalsContact CA-O 3.28Å; Y219-C226 WeakPolarHBondContact CA-O 3.16Å; Y220-C226 PolarHBondContact N-O 3.21Å; T223-C226 HydrophobicContact CG2-CB 4.06Å; T223-C226 WeakPolarHBondContact OG1-CB 3.41Å; T223-C226 PolarHBondContact OG1-O 3.38Å; C226-A244 VanDerWaalsContact SG-C 3.57Å; C226-A244 PolarHBondContact SG-O 3.34Å; C226-C248 WeakPolarHBondContact CA-SG 3.24Å; C226-C248 HydrophobicContact CB-CB 3.95Å; C226-C248 WeakPolarHBondContact CB-SG 3.47Å; C226-C248 WeakPolarHBondContact SG-CB 3.31Å; C226-C248 CovalentContact SG-SG 2.04Å; C226-C248 PolarHBondContact SG-SG 2.94Å
227	G	80.1	Confident	81.6	Confident	29 Å²	29	63.7 Å²	63.7	30%	0.299	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	161.5	-157	-174.7	0	0	0	0	0	111.7	L218 W225 G229	L218-G227 CarbonylContact O-C 3.5Å; L218-G227 WeakPolarHBondContact O-CA 3.46Å; W225-G227 PolarHBondContact O-N 3.45Å; W225-G227 VanDerWaalsContact O-N 3.16Å; G227-G229 PolarHBondContact O-N 2.87Å
228	T	73.7	Confident	83.4	Confident	24 Å²	24	61.6 Å²	61.6	15%	0.147	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	101	174.7	-47.5	0	0	0	0	111.1	S214 R216 L218	S214-T228 WeakPolarHBondContact O-CG2 3.16Å; R216-T228 VanDerWaalsContact CB-CB 3.44Å; R216-T228 HydrophobicContact CB-CG2 3.36Å; R216-T228 HydrophobicContact CG-CG2 3.55Å; R216-T228 PolarHBondContact N-O 2.68Å; R216-T228 VanDerWaalsContact O-CB 3.32Å; R216-T228 WeakPolarHBondContact O-CB 3.46Å; L218-T228 PolarHBondContact O-N 3.43Å
229	G	75.9	Confident	84.5	Confident	4 Å²	4	59 Å²	59	4%	0.041	32%	0.316	C	S	.	.	S	Bend	trans	73	-155.3	-168.5	0	0	0	0	0	110.9	Y219 G227	Y219-G229 WeakPolarHBondContact CE1-O 3.39Å; G227-G229 PolarHBondContact O-N 2.87Å
230	T	81.3	Confident	85.1	Confident	37 Å²	37	65.2 Å²	65.2	23%	0.227	35%	0.347	C	S	.	.			trans	-133.5	141.4	-171.1	179.7	0	0	0	0	113.3	Y224 W225 A232	Y224-T230 CarbonylContact O-C 3.43Å; Y224-T230 WeakPolarHBondContact O-CA 3.25Å; Y224-T230 PolarHBondContact O-OG1 2.95Å; W225-T230 VanDerWaalsContact CE3-CB 3.48Å; W225-T230 HydrophobicContact CE3-CG2 4.06Å; W225-T230 VanDerWaalsContact CE3-OG1 3.23Å; W225-T230 HydrophobicContact CH2-CG2 4.34Å; W225-T230 HydrophobicContact CZ3-CG2 3.72Å; T230-A232 WeakPolarHBondContact OG1-CB 3.29Å; T230-A232 PolarHBondContact OG1-N 2.87Å
231	R	80.2	Confident	85.7	Confident	128 Å²	128	62 Å²	62	48%	0.483	34%	0.337	S	S	.	.			trans	-89.1	-8.8	166	-67.2	-178.1	177.6	160.9	-0.7	112.3	Y219 Y224 K233	Y219-R231 HydrophobicContact CD1-CG 3.95Å; Y219-R231 HydrophobicContact CD2-CG 3.93Å; Y219-R231 HydrophobicContact CE1-CG 3.67Å; Y219-R231 HydrophobicContact CE2-CG 3.51Å; Y219-R231 HydrophobicContact CG-CG 4.06Å; Y219-R231 VanDerWaalsContact CZ-CG 3.41Å; Y224-R231 HydrophobicContact CD1-CB 4.03Å; Y224-R231 PolarHBondContact O-N 3.47Å; R231-K233 PolarHBondContact O-N 2.9Å
232	A	86.5	Confident	86.3	Confident	19 Å²	19	58.8 Å²	58.8	16%	0.157	32%	0.319	C	S	.	.			trans	-63	127.2	-177.2	0	0	0	0	0	110.2	W225 T230 S234 Q237	W225-A232 HydrophobicContact CD2-CB 4.13Å; W225-A232 VanDerWaalsContact CE2-CB 3.42Å; W225-A232 HydrophobicContact CH2-CB 4.1Å; W225-A232 HydrophobicContact CZ2-CB 3.4Å; T230-A232 WeakPolarHBondContact OG1-CB 3.29Å; T230-A232 PolarHBondContact OG1-N 2.87Å; A232-S234 VanDerWaalsContact C-N 3.3Å; A232-S234 WeakPolarHBondContact CB-O 3.44Å; A232-Q237 HydrophobicContact CB-CB 4.2Å
233	K	87.4	Confident	86.6	Confident	198 Å²	198	61.9 Å²	61.9	86%	0.861	32%	0.324	S	S	*	.	S	Bend	trans	-79.3	-18.8	174.9	-61.6	-179	-178.6	177.8	0	111.6	R231	R231-K233 PolarHBondContact O-N 2.9Å
234	S	89.8	Confident	86.6	Confident	67 Å²	67	62.4 Å²	62.4	47%	0.469	33%	0.329	S	S	.	.	S	Bend	trans	-141.3	159.8	175.7	65.4	0	0	0	0	110.8	A232 D236 Q237	A232-S234 VanDerWaalsContact C-N 3.3Å; A232-S234 WeakPolarHBondContact CB-O 3.44Å; S234-D236 PolarHBondContact O-N 2.99Å; S234-Q237 PolarHBondContact O-N 3.4Å; S234-Q237 PolarHBondContact OG-N 2.85Å
235	A	87.6	Confident	86.8	Confident	53 Å²	53	58.3 Å²	58.3	44%	0.438	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.3	-178.4	0	0	0	0	0	113.8	W225 R249	W225-A235 WeakPolarHBondContact CZ2-O 3.43Å; A235-R249 WeakPolarHBondContact O-CD 3.28Å; A235-R249 PolarHBondContact O-NH1 3.01Å
236	D	90.5	Very high	86.8	Confident	119 Å²	119	60.7 Å²	60.7	64%	0.636	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	8.6	-175.9	-56.1	-49.4	0	0	0	113	S234 F238 R249	S234-D236 PolarHBondContact O-N 2.99Å; D236-F238 VanDerWaalsContact O-CD2 3.31Å; D236-F238 WeakPolarHBondContact O-CD2 3.07Å; D236-F238 PolarHBondContact O-N 3.26Å; D236-R249 IonicContact OD1-NH1 3.86Å; D236-R249 PolarHBondContact OD1-NH1 3.27Å
237	Q	92.1	Very high	87	Confident	47 Å²	47	60.3 Å²	60.3	22%	0.22	32%	0.321	C	S	.	.			trans	-76.8	115.5	172.7	-177.1	179	7.1	0	0	109.3	Y224 W225 A232 S234	Y224-Q237 HydrophobicContact CD2-CG 3.88Å; Y224-Q237 VanDerWaalsContact CE1-NE2 3.28Å; Y224-Q237 HydrophobicContact CE2-CG 3.96Å; Y224-Q237 HydrophobicContact CG-CG 4.2Å; Y224-Q237 VanDerWaalsContact CZ-NE2 3.3Å; W225-Q237 PolarHBondContact NE1-O 2.93Å; A232-Q237 HydrophobicContact CB-CB 4.2Å; S234-Q237 PolarHBondContact O-N 3.4Å; S234-Q237 PolarHBondContact OG-N 2.85Å
238	F	93.2	Very high	87.5	Confident	59 Å²	59	59.1 Å²	59.1	26%	0.259	31%	0.308	S	S	.	.			trans	-121.9	151.6	175.7	-52.7	-63.4	0	0	0	110.9	Y224 W225 D236 A242 D245 K246 R249	Y224-F238 VanDerWaalsContact CD2-C 3.45Å; Y224-F238 WeakPolarHBondContact CE2-O 3.4Å; W225-F238 AromaticContact NE1-CD1 3.94Å; D236-F238 VanDerWaalsContact O-CD2 3.31Å; D236-F238 WeakPolarHBondContact O-CD2 3.07Å; D236-F238 PolarHBondContact O-N 3.26Å; F238-A242 HydrophobicContact CB-CB 4.01Å; F238-D245 WeakPolarHBondContact CA-OD2 3.32Å; F238-D245 HydrophobicContact CB-CB 4.34Å; F238-D245 HydrophobicContact CD1-CB 3.96Å; F238-K246 HydrophobicContact CD1-CG 4.27Å; F238-K246 HydrophobicContact CE1-CB 4.49Å; F238-K246 HydrophobicContact CE1-CG 3.66Å; F238-K246 HydrophobicContact CE2-CG 4.33Å; F238-K246 HydrophobicContact CZ-CG 3.66Å; F238-R249 VanDerWaalsContact CZ-CZ 3.49Å
239	G	90.2	Very high	88.4	Confident	17 Å²	17	60.1 Å²	60.1	18%	0.175	31%	0.309	C	S	.	.			trans	-88.8	-165.1	178.5	0	0	0	0	0	112.4	G222 Y224 H241 A242 D245	G222-G239 CarbonylContact O-C 3.53Å; G222-G239 VanDerWaalsContact O-CA 3.25Å; G222-G239 WeakPolarHBondContact O-CA 3.08Å; Y224-G239 VanDerWaalsContact CD2-N 3.32Å; G239-H241 VanDerWaalsContact C-N 3.26Å; G239-H241 PolarHBondContact O-N 3.02Å; G239-A242 PolarHBondContact O-N 3.11Å; G239-D245 PolarHBondContact N-OD2 3.37Å
240	E	87.4	Confident	89	Confident	165 Å²	165	63.8 Å²	63.8	77%	0.771	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-40.1	176.9	-175.5	176.2	170.9	0	0	111.5	G222 A242	G222-E240 PolarHBondContact O-N 2.82Å; E240-A242 VanDerWaalsContact C-N 3.28Å; E240-A242 PolarHBondContact O-N 3.39Å; E240-A242 VanDerWaalsContact O-N 3.16Å
241	H	87.3	Confident	89.4	Confident	78 Å²	78	63 Å²	63	36%	0.361	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	59.2	175.5	-55.1	-52.7	0	0	0	111.2	Y220 G222 T223 G239 E243 A244 D245	Y220-H241 AromaticContact CE1-CD2 3.69Å; Y220-H241 AromaticContact CE1-NE2 3.92Å; G222-H241 PolarHBondContact O-N 2.95Å; T223-H241 HydrophobicContact CG2-CB 3.96Å; G239-H241 VanDerWaalsContact C-N 3.26Å; G239-H241 PolarHBondContact O-N 3.02Å; H241-E243 VanDerWaalsContact C-N 3.26Å; H241-E243 PolarHBondContact O-N 2.9Å; H241-E243 VanDerWaalsContact O-N 3.16Å; H241-A244 HydrophobicContact CB-CB 4.16Å; H241-A244 PolarHBondContact O-N 2.98Å; H241-A244 VanDerWaalsContact O-N 3.11Å; H241-D245 PolarHBondContact O-N 3.4Å
242	A	90.5	Very high	89.8	Confident	33 Å²	33	58 Å²	58	27%	0.273	30%	0.304	S	S	.	.	H	α-helix	trans	-55.2	-36.9	-171	0	0	0	0	0	114.1	F238 G239 E240 D245 K246	F238-A242 HydrophobicContact CB-CB 4.01Å; G239-A242 PolarHBondContact O-N 3.11Å; E240-A242 VanDerWaalsContact C-N 3.28Å; E240-A242 PolarHBondContact O-N 3.39Å; E240-A242 VanDerWaalsContact O-N 3.16Å; A242-D245 WeakPolarHBondContact O-CB 3.34Å; A242-D245 PolarHBondContact O-N 2.95Å; A242-K246 VanDerWaalsContact O-CG 3.32Å; A242-K246 WeakPolarHBondContact O-CG 3.49Å; A242-K246 PolarHBondContact O-N 3.02Å
243	E	90.2	Very high	89.9	Confident	99 Å²	99	62.1 Å²	62.1	46%	0.463	32%	0.321	S	S	.	.	H	α-helix	trans	-68.4	-45	178	-65.1	-52.5	135.1	0	0	112.4	H241 D245 K246 C247 T291	H241-E243 VanDerWaalsContact C-N 3.26Å; H241-E243 PolarHBondContact O-N 2.9Å; H241-E243 VanDerWaalsContact O-N 3.16Å; E243-D245 VanDerWaalsContact C-N 3.27Å; E243-D245 PolarHBondContact O-N 3.43Å; E243-K246 PolarHBondContact O-N 2.97Å; E243-K246 IonicContact OE1-NZ 2.82Å; E243-K246 PolarHBondContact OE1-NZ 3.07Å; E243-K246 IonicContact OE2-NZ 3.55Å; E243-K246 PolarHBondContact OE2-NZ 3.04Å; E243-C247 PolarHBondContact O-N 3.43Å; E243-C247 PolarHBondContact O-SG 3.1Å; E243-T291 HydrophobicContact CB-CG2 3.63Å
244	A	87.7	Confident	90	Very high	15 Å²	15	52.9 Å²	52.9	12%	0.124	28%	0.281	C	S	.	.	H	α-helix	trans	-60.3	-41.7	172.9	0	0	0	0	0	110.9	C226 H241 K246 C247 C248 F288	C226-A244 VanDerWaalsContact SG-C 3.57Å; C226-A244 PolarHBondContact SG-O 3.34Å; H241-A244 HydrophobicContact CB-CB 4.16Å; H241-A244 PolarHBondContact O-N 2.98Å; H241-A244 VanDerWaalsContact O-N 3.11Å; A244-K246 PolarHBondContact O-N 3.43Å; A244-C247 VanDerWaalsContact O-CB 3.3Å; A244-C247 WeakPolarHBondContact O-CB 3.44Å; A244-C247 PolarHBondContact O-N 3.4Å; A244-C247 VanDerWaalsContact O-N 3.12Å; A244-C248 PolarHBondContact O-N 3.38Å; A244-C248 PolarHBondContact O-SG 3.39Å; A244-F288 HydrophobicContact CB-CE1 4.35Å; A244-F288 HydrophobicContact CB-CZ 4.41Å
245	D	91.9	Very high	89.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.1	-40.7	178.2	-117.1	1.4	0	0	0	112.7	T223 Y224 W225 F238 G239 H241 A242 E243 C247 C248 R249	T223-D245 WeakPolarHBondContact CB-OD1 3.43Å; Y224-D245 PolarHBondContact N-OD1 3.29Å; Y224-D245 PolarHBondContact N-OD2 3.12Å; W225-D245 WeakPolarHBondContact CB-O 3.4Å; W225-D245 WeakPolarHBondContact CB-OD1 3.3Å; W225-D245 PolarHBondContact N-OD1 3.37Å; F238-D245 WeakPolarHBondContact CA-OD2 3.32Å; F238-D245 HydrophobicContact CB-CB 4.34Å; F238-D245 HydrophobicContact CD1-CB 3.96Å; G239-D245 PolarHBondContact N-OD2 3.37Å; H241-D245 PolarHBondContact O-N 3.4Å; A242-D245 WeakPolarHBondContact O-CB 3.34Å; A242-D245 PolarHBondContact O-N 2.95Å; E243-D245 VanDerWaalsContact C-N 3.27Å; E243-D245 PolarHBondContact O-N 3.43Å; D245-C247 VanDerWaalsContact C-N 3.34Å; D245-C248 PolarHBondContact O-N 2.94Å; D245-R249 WeakPolarHBondContact O-CB 3.48Å; D245-R249 PolarHBondContact O-N 2.9Å
246	K	91.7	Very high	89.9	Confident	72 Å²	72	51.9 Å²	51.9	31%	0.313	26%	0.264	S	S	.	.	H	α-helix	trans	-59.7	-45.5	172.4	-71.8	167.1	-171.9	174	0	111.2	F238 A242 E243 A244 C248 R249 D250	F238-K246 HydrophobicContact CD1-CG 4.27Å; F238-K246 HydrophobicContact CE1-CB 4.49Å; F238-K246 HydrophobicContact CE1-CG 3.66Å; F238-K246 HydrophobicContact CE2-CG 4.33Å; F238-K246 HydrophobicContact CZ-CG 3.66Å; A242-K246 VanDerWaalsContact O-CG 3.32Å; A242-K246 WeakPolarHBondContact O-CG 3.49Å; A242-K246 PolarHBondContact O-N 3.02Å; E243-K246 PolarHBondContact O-N 2.97Å; E243-K246 IonicContact OE1-NZ 2.82Å; E243-K246 PolarHBondContact OE1-NZ 3.07Å; E243-K246 IonicContact OE2-NZ 3.55Å; E243-K246 PolarHBondContact OE2-NZ 3.04Å; A244-K246 PolarHBondContact O-N 3.43Å; K246-C248 VanDerWaalsContact C-N 3.33Å; K246-C248 PolarHBondContact O-N 3.34Å; K246-R249 PolarHBondContact O-N 3.18Å; K246-D250 VanDerWaalsContact O-CG 3.31Å; K246-D250 PolarHBondContact O-N 2.84Å
247	C	91.6	Very high	89.9	Confident	4 Å²	4	46.6 Å²	46.6	3%	0.027	24%	0.236	C	C	.	.	H	α-helix	trans	-59.3	-45.5	177.7	-55.3	0	0	0	0	111.4	E243 A244 D245 H251 L287 F288	E243-C247 PolarHBondContact O-N 3.43Å; E243-C247 PolarHBondContact O-SG 3.1Å; A244-C247 VanDerWaalsContact O-CB 3.3Å; A244-C247 WeakPolarHBondContact O-CB 3.44Å; A244-C247 PolarHBondContact O-N 3.4Å; A244-C247 VanDerWaalsContact O-N 3.12Å; D245-C247 VanDerWaalsContact C-N 3.34Å; C247-H251 WeakPolarHBondContact O-CB 3.29Å; C247-H251 PolarHBondContact O-N 3.03Å; C247-H251 VanDerWaalsContact O-N 3.1Å; C247-L287 HydrophobicContact CB-CB 4.06Å; C247-L287 WeakPolarHBondContact SG-CB 3.45Å; C247-F288 HydrophobicContact CB-CD2 3.63Å; C247-F288 HydrophobicContact CB-CE2 3.3Å; C247-F288 HydrophobicContact CB-CZ 4.18Å
248	C	90.9	Very high	89.6	Confident	4 Å²	4	45 Å²	45	3%	0.027	23%	0.229	C	C	.	.	H	α-helix	trans	-65.6	-42.9	178	-64.2	0	0	0	0	112.6	W225 C226 A244 D245 K246 D250 H251 D252 F288	W225-C248 VanDerWaalsContact C-CB 3.5Å; W225-C248 HydrophobicContact CB-CB 3.67Å; W225-C248 WeakPolarHBondContact O-CB 3.2Å; C226-C248 WeakPolarHBondContact CA-SG 3.24Å; C226-C248 HydrophobicContact CB-CB 3.95Å; C226-C248 WeakPolarHBondContact CB-SG 3.47Å; C226-C248 WeakPolarHBondContact SG-CB 3.31Å; C226-C248 CovalentContact SG-SG 2.04Å; C226-C248 PolarHBondContact SG-SG 2.94Å; A244-C248 PolarHBondContact O-N 3.38Å; A244-C248 PolarHBondContact O-SG 3.39Å; D245-C248 PolarHBondContact O-N 2.94Å; K246-C248 VanDerWaalsContact C-N 3.33Å; K246-C248 PolarHBondContact O-N 3.34Å; C248-D250 VanDerWaalsContact C-N 3.35Å; C248-D250 PolarHBondContact O-N 3.5Å; C248-H251 PolarHBondContact O-N 3.04Å; C248-D252 WeakPolarHBondContact O-CB 3.3Å; C248-D252 PolarHBondContact O-N 3.27Å; C248-F288 VanDerWaalsContact SG-CZ 3.52Å
249	R	91.8	Very high	89.2	Confident	44 Å²	44	43.8 Å²	43.8	17%	0.166	23%	0.225	C	C	.	.	H	α-helix	trans	-57.8	-47.8	176.2	-179.5	-176.8	70.2	171.7	0.4	111.9	W225 A235 D236 F238 D245 K246 H251 D252 Q253	W225-R249 HydrophobicContact CB-CB 4.25Å; W225-R249 HydrophobicContact CD2-CB 3.49Å; W225-R249 VanDerWaalsContact CD2-CB 3.49Å; W225-R249 HydrophobicContact CD2-CG 3.7Å; W225-R249 HydrophobicContact CE3-CB 3.71Å; W225-R249 HydrophobicContact CE3-CG 3.69Å; W225-R249 HydrophobicContact CG-CB 3.74Å; W225-R249 HydrophobicContact CG-CG 4.44Å; W225-R249 HydrophobicContact CH2-CG 3.77Å; W225-R249 HydrophobicContact CZ2-CB 4.45Å; W225-R249 HydrophobicContact CZ2-CG 3.78Å; W225-R249 HydrophobicContact CZ3-CB 4.28Å; W225-R249 HydrophobicContact CZ3-CG 3.72Å; A235-R249 WeakPolarHBondContact O-CD 3.28Å; A235-R249 PolarHBondContact O-NH1 3.01Å; D236-R249 IonicContact OD1-NH1 3.86Å; D236-R249 PolarHBondContact OD1-NH1 3.27Å; F238-R249 VanDerWaalsContact CZ-CZ 3.49Å; D245-R249 WeakPolarHBondContact O-CB 3.48Å; D245-R249 PolarHBondContact O-N 2.9Å; K246-R249 PolarHBondContact O-N 3.18Å; R249-H251 VanDerWaalsContact C-N 3.31Å; R249-D252 PolarHBondContact O-N 3.05Å; R249-Q253 WeakPolarHBondContact O-CG 3.48Å; R249-Q253 PolarHBondContact O-N 2.83Å
250	D	89.8	Confident	88.8	Confident	82 Å²	82	43.6 Å²	43.6	44%	0.439	22%	0.221	S	C	.	.	H	α-helix	trans	-68.1	-35.8	-177.5	-66.9	-3.4	0	0	0	110.6	K246 C248 Q253	K246-D250 VanDerWaalsContact O-CG 3.31Å; K246-D250 PolarHBondContact O-N 2.84Å; C248-D250 VanDerWaalsContact C-N 3.35Å; C248-D250 PolarHBondContact O-N 3.5Å; D250-Q253 PolarHBondContact O-N 2.96Å
251	H	89.7	Confident	88.5	Confident	19 Å²	19	39 Å²	39	9%	0.088	20%	0.199	C	C	.	.	H	α-helix	trans	-67.1	-42.4	174.1	-178	-110.2	0	0	0	113.6	R213 C247 C248 R249 Q253 C254 D281 Y284	R213-H251 PolarHBondContact NH1-ND1 3.1Å; C247-H251 WeakPolarHBondContact O-CB 3.29Å; C247-H251 PolarHBondContact O-N 3.03Å; C247-H251 VanDerWaalsContact O-N 3.1Å; C248-H251 PolarHBondContact O-N 3.04Å; R249-H251 VanDerWaalsContact C-N 3.31Å; H251-Q253 PolarHBondContact O-N 3.21Å; H251-Q253 VanDerWaalsContact O-N 3.11Å; H251-C254 VanDerWaalsContact O-CB 3.31Å; H251-C254 WeakPolarHBondContact O-CB 3.31Å; H251-C254 PolarHBondContact O-N 2.63Å; H251-D281 IonicContact CD2-OD1 3.42Å; H251-D281 IonicContact CE1-OD1 3.67Å; H251-D281 IonicContact NE2-OD1 3.71Å; H251-D281 PolarHBondContact NE2-OD1 3.27Å; H251-Y284 HydrophobicContact CB-CD2 3.34Å; H251-Y284 HydrophobicContact CB-CE2 3.88Å; H251-Y284 HydrophobicContact CB-CG 4.06Å; H251-Y284 AromaticContact CD2-CD2 3.96Å; H251-Y284 AromaticContact CD2-CG 3.78Å; H251-Y284 AromaticContact CG-CD2 3.58Å; H251-Y284 AromaticContact CG-CG 3.89Å
252	D	88.4	Confident	88.2	Confident	24 Å²	24	37 Å²	37	13%	0.128	19%	0.194	C	C	.	.	H	α-helix	trans	-61.7	-20	177.3	-93.5	3.7	0	0	0	113.1	R213 C248 R249 C254	R213-D252 WeakPolarHBondContact CD-OD1 3.37Å; R213-D252 IonicContact CZ-OD1 3.77Å; R213-D252 IonicContact NE-OD1 2.64Å; R213-D252 IonicContact NH1-OD1 3.98Å; R213-D252 PolarHBondContact NH1-OD1 2.05Å; C248-D252 WeakPolarHBondContact O-CB 3.3Å; C248-D252 PolarHBondContact O-N 3.27Å; R249-D252 PolarHBondContact O-N 3.05Å; D252-C254 VanDerWaalsContact C-N 3.3Å
253	Q	87.4	Confident	87.8	Confident	106 Å²	106	41.8 Å²	41.8	50%	0.495	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	5.2	175.4	-67.3	-179.8	19.4	0	0	113.9	H210 R249 D250 H251	H210-Q253 PolarHBondContact CE1-O 3.29Å; H210-Q253 PolarHBondContact ND1-O 3.43Å; R249-Q253 WeakPolarHBondContact O-CG 3.48Å; R249-Q253 PolarHBondContact O-N 2.83Å; D250-Q253 PolarHBondContact O-N 2.96Å; H251-Q253 PolarHBondContact O-N 3.21Å; H251-Q253 VanDerWaalsContact O-N 3.11Å
254	C	90.5	Very high	87.5	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.02	20%	0.198	C	C	.	.			trans	-53	126.2	-179.5	-169.8	0	0	0	0	111.6	H251 D252 M256 T257 C280	H251-C254 VanDerWaalsContact O-CB 3.31Å; H251-C254 WeakPolarHBondContact O-CB 3.31Å; H251-C254 PolarHBondContact O-N 2.63Å; D252-C254 VanDerWaalsContact C-N 3.3Å; C254-M256 VanDerWaalsContact C-N 3.33Å; C254-M256 PolarHBondContact O-N 2.87Å; C254-T257 HydrophobicContact CB-CG2 3.97Å; C254-C280 HydrophobicContact CB-CB 3.72Å; C254-C280 WeakPolarHBondContact CB-SG 3.43Å; C254-C280 WeakPolarHBondContact SG-CB 3.37Å; C254-C280 CovalentContact SG-SG 2.05Å; C254-C280 PolarHBondContact SG-SG 3.46Å
255	P	87.3	Confident	87.5	Confident	42 Å²	42	43.4 Å²	43.4	27%	0.273	21%	0.211	S	C	.	.	S	Bend	trans	-70.8	-27	-173.4	25.2	-33.8	0	0	0	113.9	H210	H210-P255 WeakPolarHBondContact ND1-CA 3.19Å
256	M	88	Confident	87.2	Confident	57 Å²	57	51.5 Å²	51.5	28%	0.281	25%	0.246	S	C	.	.	S	Bend	trans	-117	104.3	180	-66.7	-159.9	-65.9	0	0	109.8	L208 C254 S276 Q277	L208-M256 HydrophobicContact CD1-CG 3.54Å; L208-M256 HydrophobicContact CD1-SD 3.55Å; L208-M256 VanDerWaalsContact CD1-SD 3.55Å; C254-M256 VanDerWaalsContact C-N 3.33Å; C254-M256 PolarHBondContact O-N 2.87Å; M256-S276 CarbonylContact O-C 3.59Å; M256-Q277 HydrophobicContact CB-CB 4.23Å; M256-Q277 HydrophobicContact CE-CB 4.33Å; M256-Q277 HydrophobicContact CE-CG 3.99Å; M256-Q277 PolarHBondContact O-N 3.45Å
257	T	89.6	Confident	86.7	Confident	9 Å²	9	52.1 Å²	52.1	6%	0.055	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	153.8	176.9	55.4	0	0	0	0	110.4	C254 K264 T274 I275	C254-T257 HydrophobicContact CB-CG2 3.97Å; T257-K264 WeakPolarHBondContact O-CD 3.45Å; T257-T274 HydrophobicContact CG2-CG2 4.08Å; T257-I275 CarbonylContact C-O 3.52Å; T257-I275 WeakPolarHBondContact CA-O 3.26Å
258	I	86.7	Confident	86.2	Confident	12 Å²	12	57.5 Å²	57.5	6%	0.062	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	112.9	167.2	-46.2	180	0	0	0	106.4	S262 K264 Y265 L267 N269 T274 I275	I258-S262 WeakPolarHBondContact CG2-O 3.4Å; I258-K264 HydrophobicContact CG1-CB 4.24Å; I258-K264 HydrophobicContact CG2-CB 4.14Å; I258-Y265 HydrophobicContact CG1-CD2 4.28Å; I258-L267 HydrophobicContact CD1-CB 3.52Å; I258-L267 HydrophobicContact CD1-CD1 4.08Å; I258-L267 HydrophobicContact CD1-CG 4.45Å; I258-N269 HydrophobicContact CB-CB 4.01Å; I258-N269 HydrophobicContact CG2-CB 3.5Å; I258-N269 PolarHBondContact O-ND2 3.16Å; I258-T274 WeakPolarHBondContact O-CA 3.46Å; I258-I275 PolarHBondContact N-O 3.41Å; I258-I275 PolarHBondContact O-N 2.88Å
259	N	84.8	Confident	85.9	Confident	34 Å²	34	57.3 Å²	57.3	18%	0.182	28%	0.279	C	S	.	.			trans	-58.7	157.7	178.5	-70.4	-28	0	0	0	110.8	S262 N269	N259-S262 VanDerWaalsContact C-OG 3.25Å; N259-S262 WeakPolarHBondContact CA-OG 3.31Å; N259-S262 WeakPolarHBondContact CB-OG 3.46Å; N259-S262 PolarHBondContact N-OG 3.12Å; N259-S262 VanDerWaalsContact N-OG 3.12Å; N259-S262 WeakPolarHBondContact O-CB 3.31Å; N259-S262 PolarHBondContact O-N 3.28Å; N259-S262 PolarHBondContact O-OG 3.12Å; N259-N269 WeakPolarHBondContact O-CB 3.19Å; N259-N269 PolarHBondContact O-ND2 3.35Å
260	S	80.7	Confident	85	Confident	14 Å²	14	58.7 Å²	58.7	10%	0.098	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	140.2	173.3	51.6	0	0	0	0	111.6	R216 S262 F271	R216-S260 PolarHBondContact NH2-OG 2.87Å; S260-S262 PolarHBondContact O-N 3.3Å; S260-F271 WeakPolarHBondContact CA-O 3.06Å; S260-F271 VanDerWaalsContact CB-O 3.24Å; S260-F271 WeakPolarHBondContact CB-O 3.3Å
261	F	81	Confident	84.5	Confident	68 Å²	68	56.6 Å²	56.6	30%	0.298	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	26.3	178.2	-47	-55.7	0	0	0	114.8	L114 N269 P270 F271 A272	L114-F261 HydrophobicContact CB-CZ 4.35Å; L114-F261 HydrophobicContact CD1-CE1 4.45Å; L114-F261 HydrophobicContact CD1-CE2 4.19Å; L114-F261 HydrophobicContact CD1-CZ 3.52Å; L114-F261 HydrophobicContact CD2-CE1 3.68Å; L114-F261 HydrophobicContact CD2-CZ 3.57Å; L114-F261 HydrophobicContact CG-CE1 4.47Å; L114-F261 HydrophobicContact CG-CZ 3.98Å; F261-N269 WeakPolarHBondContact CA-O 3.41Å; F261-N269 PolarHBondContact N-O 3.09Å; F261-P270 WeakPolarHBondContact CD1-O 3.49Å; F261-P270 WeakPolarHBondContact CE1-O 3.42Å; F261-F271 PolarHBondContact N-O 2.92Å; F261-A272 HydrophobicContact CE2-CB 4.21Å; F261-A272 HydrophobicContact CZ-CB 3.69Å
262	S	81.8	Confident	83.7	Confident	37 Å²	37	56.3 Å²	56.3	26%	0.259	28%	0.281	S	S	.	.			trans	-121.3	161.2	-176.3	80.4	0	0	0	0	111.5	I258 N259 S260 N269	I258-S262 WeakPolarHBondContact CG2-O 3.4Å; N259-S262 VanDerWaalsContact C-OG 3.25Å; N259-S262 WeakPolarHBondContact CA-OG 3.31Å; N259-S262 WeakPolarHBondContact CB-OG 3.46Å; N259-S262 PolarHBondContact N-OG 3.12Å; N259-S262 VanDerWaalsContact N-OG 3.12Å; N259-S262 WeakPolarHBondContact O-CB 3.31Å; N259-S262 PolarHBondContact O-N 3.28Å; N259-S262 PolarHBondContact O-OG 3.12Å; S260-S262 PolarHBondContact O-N 3.3Å; S262-N269 PolarHBondContact N-O 3.31Å; S262-N269 PolarHBondContact O-N 3.38Å
263	Q	83.2	Confident	83.3	Confident	133 Å²	133	59.3 Å²	59.3	62%	0.621	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.9	175.8	-170.2	179.9	16.5	0	0	110	L267 I268	Q263-L267 CarbonylContact C-O 3.54Å; Q263-L267 VanDerWaalsContact CA-O 3.3Å; Q263-L267 WeakPolarHBondContact CA-O 3.48Å; Q263-L267 VanDerWaalsContact CG-O 3.28Å; Q263-L267 WeakPolarHBondContact CG-O 3.43Å; Q263-I268 HydrophobicContact CB-CG1 4.22Å; Q263-I268 HydrophobicContact CG-CG1 3.78Å
264	K	83.4	Confident	83.2	Confident	48 Å²	48	54.7 Å²	54.7	21%	0.209	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	152.3	173.4	-160.2	176.4	179.9	179.7	0	109.7	D211 T257 I258 K266 L267	D211-K264 IonicContact OD2-NZ 2.82Å; D211-K264 PolarHBondContact OD2-NZ 3.12Å; T257-K264 WeakPolarHBondContact O-CD 3.45Å; I258-K264 HydrophobicContact CG1-CB 4.24Å; I258-K264 HydrophobicContact CG2-CB 4.14Å; K264-K266 PolarHBondContact O-N 3.01Å; K264-L267 PolarHBondContact N-O 3.17Å; K264-L267 WeakPolarHBondContact O-CA 3.49Å; K264-L267 WeakPolarHBondContact O-CB 3.41Å; K264-L267 PolarHBondContact O-N 3.5Å
265	Y	86.9	Confident	83.1	Confident	99 Å²	99	57.3 Å²	57.3	39%	0.388	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	27.2	-178.4	-44.5	-68.4	0	0	0	114	L208 I258 L267	L208-Y265 HydrophobicContact CD2-CE1 4.47Å; I258-Y265 HydrophobicContact CG1-CD2 4.28Å; Y265-L267 PolarHBondContact O-N 3.44Å
266	K	85	Confident	83.2	Confident	171 Å²	171	55.9 Å²	55.9	74%	0.743	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	14.2	-173	-49.7	176.7	178.9	-178.1	0	114.4	K264	K264-K266 PolarHBondContact O-N 3.01Å
267	L	81.7	Confident	83.2	Confident	85 Å²	85	56.2 Å²	56.2	45%	0.445	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137.5	172.8	-62.5	173.5	0	0	0	108.9	V187 I258 Q263 K264 Y265	V187-L267 HydrophobicContact CG1-CD2 4.39Å; I258-L267 HydrophobicContact CD1-CB 3.52Å; I258-L267 HydrophobicContact CD1-CD1 4.08Å; I258-L267 HydrophobicContact CD1-CG 4.45Å; Q263-L267 CarbonylContact C-O 3.54Å; Q263-L267 VanDerWaalsContact CA-O 3.3Å; Q263-L267 WeakPolarHBondContact CA-O 3.48Å; Q263-L267 VanDerWaalsContact CG-O 3.28Å; Q263-L267 WeakPolarHBondContact CG-O 3.43Å; K264-L267 PolarHBondContact N-O 3.17Å; K264-L267 WeakPolarHBondContact O-CA 3.49Å; K264-L267 WeakPolarHBondContact O-CB 3.41Å; K264-L267 PolarHBondContact O-N 3.5Å; Y265-L267 PolarHBondContact O-N 3.44Å
268	I	82.1	Confident	83.1	Confident	117 Å²	117	59.8 Å²	59.8	60%	0.6	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.2	175.2	-61.8	168.9	0	0	0	106.7	Q263 P270	Q263-I268 HydrophobicContact CB-CG1 4.22Å; Q263-I268 HydrophobicContact CG-CG1 3.78Å; I268-P270 VanDerWaalsContact O-CD 3.29Å; I268-P270 WeakPolarHBondContact O-CD 3.33Å
269	N	83.6	Confident	83.2	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.319	C	S	.	.			trans	-95.9	102.6	168	178.1	7.2	0	0	0	108.8	I258 N259 F261 S262 F271 F273 I275	I258-N269 HydrophobicContact CB-CB 4.01Å; I258-N269 HydrophobicContact CG2-CB 3.5Å; I258-N269 PolarHBondContact O-ND2 3.16Å; N259-N269 WeakPolarHBondContact O-CB 3.19Å; N259-N269 PolarHBondContact O-ND2 3.35Å; F261-N269 WeakPolarHBondContact CA-O 3.41Å; F261-N269 PolarHBondContact N-O 3.09Å; S262-N269 PolarHBondContact N-O 3.31Å; S262-N269 PolarHBondContact O-N 3.38Å; N269-F271 PolarHBondContact O-N 3.37Å; N269-F271 WeakPolarHBondContact OD1-CB 3.47Å; N269-F271 WeakPolarHBondContact OD1-CD2 3.48Å; N269-F271 PolarHBondContact OD1-N 2.92Å; N269-F273 PolarHBondContact ND2-O 3.05Å; N269-I275 HydrophobicContact CB-CD1 3.83Å; N269-I275 HydrophobicContact CB-CG1 4.39Å; N269-I275 VanDerWaalsContact CG-CD1 3.45Å; N269-I275 PolarHBondContact ND2-N 3.43Å; N269-I275 VanDerWaalsContact OD1-CD1 3.31Å; N269-I275 WeakPolarHBondContact OD1-CD1 3.48Å
270	P	73.7	Confident	83.5	Confident	73 Å²	73	62.2 Å²	62.2	47%	0.474	32%	0.316	S	S	.	.			trans	-79	-5.8	179.1	34.9	-36.6	0	0	0	112.9	F261 I268	F261-P270 WeakPolarHBondContact CD1-O 3.49Å; F261-P270 WeakPolarHBondContact CE1-O 3.42Å; I268-P270 VanDerWaalsContact O-CD 3.29Å; I268-P270 WeakPolarHBondContact O-CD 3.33Å
271	F	78.9	Confident	83.9	Confident	38 Å²	38	64.7 Å²	64.7	17%	0.167	33%	0.328	C	S	.	.	S	Bend	trans	-91	159	-170.6	-56.3	-71.3	0	0	0	113.1	I180 S260 F261 N269 F273 I275	I180-F271 HydrophobicContact CD1-CE1 3.79Å; I180-F271 HydrophobicContact CD1-CZ 4.44Å; I180-F271 HydrophobicContact CG1-CE1 4.15Å; I180-F271 HydrophobicContact CG1-CZ 4.42Å; I180-F271 HydrophobicContact CG2-CE1 4.28Å; I180-F271 HydrophobicContact CG2-CZ 3.84Å; S260-F271 WeakPolarHBondContact CA-O 3.06Å; S260-F271 VanDerWaalsContact CB-O 3.24Å; S260-F271 WeakPolarHBondContact CB-O 3.3Å; F261-F271 PolarHBondContact N-O 2.92Å; N269-F271 PolarHBondContact O-N 3.37Å; N269-F271 WeakPolarHBondContact OD1-CB 3.47Å; N269-F271 WeakPolarHBondContact OD1-CD2 3.48Å; N269-F271 PolarHBondContact OD1-N 2.92Å; F271-F273 HydrophobicContact CB-CD1 3.92Å; F271-F273 HydrophobicContact CB-CD2 4.22Å; F271-F273 HydrophobicContact CB-CE1 3.63Å; F271-F273 HydrophobicContact CB-CE2 3.94Å; F271-F273 HydrophobicContact CB-CG 4.21Å; F271-F273 HydrophobicContact CB-CZ 3.63Å; F271-F273 HydrophobicContact CD1-CE1 4.13Å; F271-F273 AromaticContact CD1-CZ 4Å; F271-F273 HydrophobicContact CD1-CZ 4Å; F271-F273 HydrophobicContact CD2-CE2 4.18Å; F271-F273 AromaticContact CD2-CZ 3.99Å; F271-F273 HydrophobicContact CD2-CZ 3.99Å; F271-F273 AromaticContact CG-CE1 3.94Å; F271-F273 HydrophobicContact CG-CE1 3.94Å; F271-F273 HydrophobicContact CG-CE2 4.11Å; F271-F273 AromaticContact CG-CZ 3.6Å; F271-F273 HydrophobicContact CG-CZ 3.6Å; F271-F273 PolarHBondContact O-N 3.49Å; F271-I275 HydrophobicContact CD2-CD1 4.08Å; F271-I275 HydrophobicContact CE2-CD1 4.47Å
272	A	74	Confident	84.2	Confident	12 Å²	12	67.5 Å²	67.5	10%	0.099	34%	0.34	C	S	.	.	S	Bend	trans	-76.9	7.2	174.7	0	0	0	0	0	113.8	I106 L114 R216 F261	I106-A272 HydrophobicContact CG2-CB 4.31Å; L114-A272 HydrophobicContact CB-CB 4.33Å; L114-A272 HydrophobicContact CD1-CB 4.11Å; R216-A272 PolarHBondContact NH1-O 3.38Å; F261-A272 HydrophobicContact CE2-CB 4.21Å; F261-A272 HydrophobicContact CZ-CB 3.69Å
273	F	79.1	Confident	84.4	Confident	87 Å²	87	71.6 Å²	71.6	38%	0.382	36%	0.355	S	S	.	.	S	Bend	trans	-127.2	159.1	175.7	52.6	-97.1	0	0	0	110.4	N269 F271	N269-F273 PolarHBondContact ND2-O 3.05Å; F271-F273 HydrophobicContact CB-CD1 3.92Å; F271-F273 HydrophobicContact CB-CD2 4.22Å; F271-F273 HydrophobicContact CB-CE1 3.63Å; F271-F273 HydrophobicContact CB-CE2 3.94Å; F271-F273 HydrophobicContact CB-CG 4.21Å; F271-F273 HydrophobicContact CB-CZ 3.63Å; F271-F273 HydrophobicContact CD1-CE1 4.13Å; F271-F273 AromaticContact CD1-CZ 4Å; F271-F273 HydrophobicContact CD1-CZ 4Å; F271-F273 HydrophobicContact CD2-CE2 4.18Å; F271-F273 AromaticContact CD2-CZ 3.99Å; F271-F273 HydrophobicContact CD2-CZ 3.99Å; F271-F273 AromaticContact CG-CE1 3.94Å; F271-F273 HydrophobicContact CG-CE1 3.94Å; F271-F273 HydrophobicContact CG-CE2 4.11Å; F271-F273 AromaticContact CG-CZ 3.6Å; F271-F273 HydrophobicContact CG-CZ 3.6Å; F271-F273 PolarHBondContact O-N 3.49Å
274	T	84.8	Confident	84.4	Confident	10 Å²	10	68.7 Å²	68.7	6%	0.061	34%	0.339	C	S	.	.			trans	-76.8	129.1	177.7	-61.4	0	0	0	0	109.9	R213 T257 I258	R213-T274 HydrophobicContact CG-CG2 4.15Å; R213-T274 WeakPolarHBondContact CG-OG1 3.02Å; T257-T274 HydrophobicContact CG2-CG2 4.08Å; I258-T274 WeakPolarHBondContact O-CA 3.46Å
275	I	88.1	Confident	84.4	Confident	57 Å²	57	68.5 Å²	68.5	29%	0.292	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	134.6	170.6	-63.3	171.6	0	0	0	108.3	T257 I258 N269 F271	T257-I275 CarbonylContact C-O 3.52Å; T257-I275 WeakPolarHBondContact CA-O 3.26Å; I258-I275 PolarHBondContact N-O 3.41Å; I258-I275 PolarHBondContact O-N 2.88Å; N269-I275 HydrophobicContact CB-CD1 3.83Å; N269-I275 HydrophobicContact CB-CG1 4.39Å; N269-I275 VanDerWaalsContact CG-CD1 3.45Å; N269-I275 PolarHBondContact ND2-N 3.43Å; N269-I275 VanDerWaalsContact OD1-CD1 3.31Å; N269-I275 WeakPolarHBondContact OD1-CD1 3.48Å; F271-I275 HydrophobicContact CD2-CD1 4.08Å; F271-I275 HydrophobicContact CE2-CD1 4.47Å
276	S	90	Very high	84.1	Confident	12 Å²	12	68.3 Å²	68.3	8%	0.084	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	172.7	175.4	98.7	0	0	0	0	111.3	M256 C280 D281	M256-S276 CarbonylContact O-C 3.59Å; S276-C280 WeakPolarHBondContact OG-CB 3.31Å; S276-D281 PolarHBondContact OG-OD1 2.92Å; S276-D281 PolarHBondContact OG-OD2 3.05Å
277	Q	87.6	Confident	83.9	Confident	64 Å²	64	63.2 Å²	63.2	30%	0.299	33%	0.333	S	S	.	.			trans	-66.8	138.5	170.4	179.4	-178.4	-8.3	0	0	109.8	M256 D279 C280 D281	M256-Q277 HydrophobicContact CB-CB 4.23Å; M256-Q277 HydrophobicContact CE-CB 4.33Å; M256-Q277 HydrophobicContact CE-CG 3.99Å; M256-Q277 PolarHBondContact O-N 3.45Å; Q277-D279 HydrophobicContact CG-CB 4.46Å; Q277-D279 PolarHBondContact NE2-OD2 2.97Å; Q277-D279 PolarHBondContact O-N 3.23Å; Q277-C280 WeakPolarHBondContact O-CA 3.43Å; Q277-C280 VanDerWaalsContact O-CB 3.26Å; Q277-C280 WeakPolarHBondContact O-CB 3.49Å; Q277-C280 PolarHBondContact O-N 2.87Å; Q277-D281 PolarHBondContact O-N 3.48Å
278	C	88.3	Confident	83.8	Confident	85 Å²	85	61.3 Å²	61.3	57%	0.574	32%	0.321	S	S	*	.	H	α-helix	trans	-51.6	-32.1	-178.3	-55.6	0	0	0	0	114.4	C280 D281 K282	C278-C280 VanDerWaalsContact C-N 3.34Å; C278-D281 PolarHBondContact O-N 3.07Å; C278-K282 WeakPolarHBondContact O-CB 3.41Å; C278-K282 VanDerWaalsContact O-CG 3.24Å; C278-K282 WeakPolarHBondContact O-CG 3.29Å; C278-K282 PolarHBondContact O-N 3.33Å
279	D	89.1	Confident	83.5	Confident	79 Å²	79	60.7 Å²	60.7	42%	0.422	32%	0.318	S	S	.	.	H	α-helix	trans	-69.8	-32.1	178.2	-59.6	-36.7	0	0	0	112.4	Q277 Q283	Q277-D279 HydrophobicContact CG-CB 4.46Å; Q277-D279 PolarHBondContact NE2-OD2 2.97Å; Q277-D279 PolarHBondContact O-N 3.23Å; D279-Q283 WeakPolarHBondContact O-CB 3.45Å; D279-Q283 VanDerWaalsContact O-CG 3.26Å; D279-Q283 WeakPolarHBondContact O-CG 3.37Å; D279-Q283 PolarHBondContact O-N 3.4Å; D279-Q283 VanDerWaalsContact O-N 3.12Å; D279-Q283 PolarHBondContact O-NE2 2.86Å
280	C	91	Very high	82.9	Confident	18 Å²	18	70.1 Å²	70.1	12%	0.122	35%	0.353	C	S	.	.	H	α-helix	trans	-66.8	-46.4	170.2	-60.2	0	0	0	0	110	C254 S276 Q277 C278 K282 Q283 Y284	C254-C280 HydrophobicContact CB-CB 3.72Å; C254-C280 WeakPolarHBondContact CB-SG 3.43Å; C254-C280 WeakPolarHBondContact SG-CB 3.37Å; C254-C280 CovalentContact SG-SG 2.05Å; C254-C280 PolarHBondContact SG-SG 3.46Å; S276-C280 WeakPolarHBondContact OG-CB 3.31Å; Q277-C280 WeakPolarHBondContact O-CA 3.43Å; Q277-C280 VanDerWaalsContact O-CB 3.26Å; Q277-C280 WeakPolarHBondContact O-CB 3.49Å; Q277-C280 PolarHBondContact O-N 2.87Å; C278-C280 VanDerWaalsContact C-N 3.34Å; C280-K282 PolarHBondContact O-N 2.93Å; C280-Q283 PolarHBondContact O-N 3.46Å; C280-Y284 VanDerWaalsContact O-CB 3.31Å; C280-Y284 WeakPolarHBondContact O-CB 3.43Å; C280-Y284 PolarHBondContact O-N 3.17Å
281	D	88.9	Confident	82.7	Confident	65 Å²	65	68.5 Å²	68.5	35%	0.348	34%	0.342	S	S	.	.	H	α-helix	trans	-65.2	-38.3	179.7	-66	-29.9	0	0	0	112.5	H251 S276 Q277 C278 Y284 A285	H251-D281 IonicContact CD2-OD1 3.42Å; H251-D281 IonicContact CE1-OD1 3.67Å; H251-D281 IonicContact NE2-OD1 3.71Å; H251-D281 PolarHBondContact NE2-OD1 3.27Å; S276-D281 PolarHBondContact OG-OD1 2.92Å; S276-D281 PolarHBondContact OG-OD2 3.05Å; Q277-D281 PolarHBondContact O-N 3.48Å; C278-D281 PolarHBondContact O-N 3.07Å; D281-Y284 PolarHBondContact O-N 2.85Å; D281-A285 WeakPolarHBondContact O-CB 3.42Å; D281-A285 PolarHBondContact O-N 2.89Å
282	K	87.6	Confident	81.8	Confident	128 Å²	128	72.4 Å²	72.4	56%	0.557	37%	0.365	S	S	*	.	H	α-helix	trans	-64.2	-44.2	174	-74.6	170.3	-174.3	171.9	0	112	C278 C280 A285 N286	C278-K282 WeakPolarHBondContact O-CB 3.41Å; C278-K282 VanDerWaalsContact O-CG 3.24Å; C278-K282 WeakPolarHBondContact O-CG 3.29Å; C278-K282 PolarHBondContact O-N 3.33Å; C280-K282 PolarHBondContact O-N 2.93Å; K282-A285 PolarHBondContact O-N 2.93Å; K282-N286 WeakPolarHBondContact O-CB 3.3Å; K282-N286 PolarHBondContact O-N 3.3Å; K282-N286 PolarHBondContact O-ND2 2.99Å; K282-N286 VanDerWaalsContact O-ND2 3.12Å
283	Q	85.4	Confident	80.4	Confident	122 Å²	122	81.3 Å²	81.3	57%	0.57	41%	0.41	S	S	*	.	H	α-helix	trans	-62.8	-45.8	176.4	-78.2	172.1	80.9	0	0	110.8	D279 C280 N286 L287	D279-Q283 WeakPolarHBondContact O-CB 3.45Å; D279-Q283 VanDerWaalsContact O-CG 3.26Å; D279-Q283 WeakPolarHBondContact O-CG 3.37Å; D279-Q283 PolarHBondContact O-N 3.4Å; D279-Q283 VanDerWaalsContact O-N 3.12Å; D279-Q283 PolarHBondContact O-NE2 2.86Å; C280-Q283 PolarHBondContact O-N 3.46Å; Q283-N286 PolarHBondContact O-N 2.89Å; Q283-L287 WeakPolarHBondContact O-CB 3.34Å; Q283-L287 VanDerWaalsContact O-CG 3.31Å; Q283-L287 WeakPolarHBondContact O-CG 3.43Å; Q283-L287 PolarHBondContact O-N 2.92Å
284	Y	83.7	Confident	80.4	Confident	72 Å²	72	81 Å²	81	28%	0.282	41%	0.411	S	S	.	.	H	α-helix	trans	-56.4	-51.5	175.4	178.1	-101.3	0	0	0	111.9	H251 C280 D281 N286 L287 F288	H251-Y284 HydrophobicContact CB-CD2 3.34Å; H251-Y284 HydrophobicContact CB-CE2 3.88Å; H251-Y284 HydrophobicContact CB-CG 4.06Å; H251-Y284 AromaticContact CD2-CD2 3.96Å; H251-Y284 AromaticContact CD2-CG 3.78Å; H251-Y284 AromaticContact CG-CD2 3.58Å; H251-Y284 AromaticContact CG-CG 3.89Å; C280-Y284 VanDerWaalsContact O-CB 3.31Å; C280-Y284 WeakPolarHBondContact O-CB 3.43Å; C280-Y284 PolarHBondContact O-N 3.17Å; D281-Y284 PolarHBondContact O-N 2.85Å; Y284-N286 VanDerWaalsContact C-N 3.33Å; Y284-N286 PolarHBondContact O-N 2.64Å; Y284-L287 PolarHBondContact O-N 3.18Å; Y284-F288 HydrophobicContact CD1-CD2 4.11Å; Y284-F288 HydrophobicContact CD1-CE2 4.46Å; Y284-F288 AromaticContact CD2-CD2 3.77Å; Y284-F288 HydrophobicContact CD2-CD2 3.77Å; Y284-F288 AromaticContact CD2-CE2 3.61Å; Y284-F288 HydrophobicContact CD2-CE2 3.61Å; Y284-F288 AromaticContact CE1-CD2 3.8Å; Y284-F288 HydrophobicContact CE1-CD2 3.8Å; Y284-F288 AromaticContact CE1-CE2 3.88Å; Y284-F288 HydrophobicContact CE1-CE2 3.88Å; Y284-F288 AromaticContact CE2-CD2 3.57Å; Y284-F288 HydrophobicContact CE2-CD2 3.57Å; Y284-F288 AromaticContact CE2-CE2 3Å; Y284-F288 HydrophobicContact CE2-CE2 3Å; Y284-F288 AromaticContact CE2-CZ 3.88Å; Y284-F288 HydrophobicContact CE2-CZ 3.88Å; Y284-F288 HydrophobicContact CG-CD2 4.1Å; Y284-F288 HydrophobicContact CG-CE2 4.35Å; Y284-F288 AromaticContact CZ-CD2 3.53Å; Y284-F288 AromaticContact CZ-CE2 3.11Å; Y284-F288 AromaticContact CZ-CZ 3.7Å; Y284-F288 WeakPolarHBondContact O-CD2 3.41Å; Y284-F288 PolarHBondContact O-N 3.15Å; Y284-F288 VanDerWaalsContact OH-CE2 3.25Å; Y284-F288 WeakPolarHBondContact OH-CE2 3.32Å; Y284-F288 VanDerWaalsContact OH-CZ 3.29Å; Y284-F288 WeakPolarHBondContact OH-CZ 3.47Å
285	A	82.1	Confident	80.2	Confident	45 Å²	45	84.7 Å²	84.7	37%	0.372	43%	0.43	S	S	.	.	H	α-helix	trans	-58.6	-44.4	177.9	0	0	0	0	0	112.2	D281 K282 L287 F288 I289	D281-A285 WeakPolarHBondContact O-CB 3.42Å; D281-A285 PolarHBondContact O-N 2.89Å; K282-A285 PolarHBondContact O-N 2.93Å; A285-L287 VanDerWaalsContact C-N 3.33Å; A285-L287 PolarHBondContact O-N 3.16Å; A285-F288 PolarHBondContact O-N 3.21Å; A285-I289 VanDerWaalsContact O-CG1 3.3Å; A285-I289 WeakPolarHBondContact O-CG1 3.24Å; A285-I289 PolarHBondContact O-N 3.32Å; A285-I289 VanDerWaalsContact O-N 3.09Å
286	N	82.3	Confident	79.8	Confident	95 Å²	95	86.3 Å²	86.3	51%	0.508	44%	0.437	S	S	.	.	H	α-helix	trans	-63.3	-38.1	177.7	-74.6	-30.5	0	0	0	112.7	K282 Q283 Y284 R290	K282-N286 WeakPolarHBondContact O-CB 3.3Å; K282-N286 PolarHBondContact O-N 3.3Å; K282-N286 PolarHBondContact O-ND2 2.99Å; K282-N286 VanDerWaalsContact O-ND2 3.12Å; Q283-N286 PolarHBondContact O-N 2.89Å; Y284-N286 VanDerWaalsContact C-N 3.33Å; Y284-N286 PolarHBondContact O-N 2.64Å; N286-R290 VanDerWaalsContact O-CG 3.29Å; N286-R290 WeakPolarHBondContact O-CG 3.42Å; N286-R290 PolarHBondContact O-N 3.26Å
287	L	80.7	Confident	79.2	Confident	63 Å²	63	90.6 Å²	90.6	33%	0.33	46%	0.458	S	S	.	.	H	α-helix	trans	-68	-47.4	177.1	-72.7	170.3	0	0	0	110.7	C247 Q283 Y284 A285 I289 R290 T291	C247-L287 HydrophobicContact CB-CB 4.06Å; C247-L287 WeakPolarHBondContact SG-CB 3.45Å; Q283-L287 WeakPolarHBondContact O-CB 3.34Å; Q283-L287 VanDerWaalsContact O-CG 3.31Å; Q283-L287 WeakPolarHBondContact O-CG 3.43Å; Q283-L287 PolarHBondContact O-N 2.92Å; Y284-L287 PolarHBondContact O-N 3.18Å; A285-L287 VanDerWaalsContact C-N 3.33Å; A285-L287 PolarHBondContact O-N 3.16Å; L287-I289 VanDerWaalsContact C-N 3.32Å; L287-I289 PolarHBondContact O-N 2.81Å; L287-R290 WeakPolarHBondContact O-CA 3.26Å; L287-R290 WeakPolarHBondContact O-CB 3.4Å; L287-R290 PolarHBondContact O-N 3.42Å; L287-T291 WeakPolarHBondContact O-CG2 3.25Å; L287-T291 PolarHBondContact O-N 3.39Å; L287-T291 PolarHBondContact O-OG1 3.21Å
288	F	78.8	Confident	78.6	Confident	45 Å²	45	92.3 Å²	92.3	20%	0.197	47%	0.468	C	S	.	.	H	α-helix	trans	-58.5	-39.7	178.2	-96.6	-92.2	0	0	0	114	A244 C247 C248 Y284 A285 R290 T291 N292	A244-F288 HydrophobicContact CB-CE1 4.35Å; A244-F288 HydrophobicContact CB-CZ 4.41Å; C247-F288 HydrophobicContact CB-CD2 3.63Å; C247-F288 HydrophobicContact CB-CE2 3.3Å; C247-F288 HydrophobicContact CB-CZ 4.18Å; C248-F288 VanDerWaalsContact SG-CZ 3.52Å; Y284-F288 HydrophobicContact CD1-CD2 4.11Å; Y284-F288 HydrophobicContact CD1-CE2 4.46Å; Y284-F288 AromaticContact CD2-CD2 3.77Å; Y284-F288 HydrophobicContact CD2-CD2 3.77Å; Y284-F288 AromaticContact CD2-CE2 3.61Å; Y284-F288 HydrophobicContact CD2-CE2 3.61Å; Y284-F288 AromaticContact CE1-CD2 3.8Å; Y284-F288 HydrophobicContact CE1-CD2 3.8Å; Y284-F288 AromaticContact CE1-CE2 3.88Å; Y284-F288 HydrophobicContact CE1-CE2 3.88Å; Y284-F288 AromaticContact CE2-CD2 3.57Å; Y284-F288 HydrophobicContact CE2-CD2 3.57Å; Y284-F288 AromaticContact CE2-CE2 3Å; Y284-F288 HydrophobicContact CE2-CE2 3Å; Y284-F288 AromaticContact CE2-CZ 3.88Å; Y284-F288 HydrophobicContact CE2-CZ 3.88Å; Y284-F288 HydrophobicContact CG-CD2 4.1Å; Y284-F288 HydrophobicContact CG-CE2 4.35Å; Y284-F288 AromaticContact CZ-CD2 3.53Å; Y284-F288 AromaticContact CZ-CE2 3.11Å; Y284-F288 AromaticContact CZ-CZ 3.7Å; Y284-F288 WeakPolarHBondContact O-CD2 3.41Å; Y284-F288 PolarHBondContact O-N 3.15Å; Y284-F288 VanDerWaalsContact OH-CE2 3.25Å; Y284-F288 WeakPolarHBondContact OH-CE2 3.32Å; Y284-F288 VanDerWaalsContact OH-CZ 3.29Å; Y284-F288 WeakPolarHBondContact OH-CZ 3.47Å; A285-F288 PolarHBondContact O-N 3.21Å; F288-R290 VanDerWaalsContact C-N 3.26Å; F288-R290 PolarHBondContact O-N 3.32Å; F288-T291 PolarHBondContact O-N 3.28Å; F288-T291 PolarHBondContact O-OG1 3Å; F288-T291 VanDerWaalsContact O-OG1 3.12Å; F288-N292 PolarHBondContact O-N 3.35Å
289	I	76.9	Confident	78	Confident	105 Å²	105	92.8 Å²	92.8	54%	0.538	46%	0.461	S	S	.	.	H	α-helix	trans	-64.2	-34.8	176.1	-68.5	166.1	0	0	0	110.8	A285 L287 L293	A285-I289 VanDerWaalsContact O-CG1 3.3Å; A285-I289 WeakPolarHBondContact O-CG1 3.24Å; A285-I289 PolarHBondContact O-N 3.32Å; A285-I289 VanDerWaalsContact O-N 3.09Å; L287-I289 VanDerWaalsContact C-N 3.32Å; L287-I289 PolarHBondContact O-N 2.81Å; I289-L293 HydrophobicContact CG2-CD1 4.11Å; I289-L293 WeakPolarHBondContact O-CG 3.45Å
290	R	69.8	Low	77.2	Confident	197 Å²	197	93.8 Å²	93.8	74%	0.743	46%	0.464	S	S	*	.	H	α-helix	trans	-78.3	-22.3	179.8	-70.3	173.7	-177	-134	1.3	113.8	N286 L287 F288	N286-R290 VanDerWaalsContact O-CG 3.29Å; N286-R290 WeakPolarHBondContact O-CG 3.42Å; N286-R290 PolarHBondContact O-N 3.26Å; L287-R290 WeakPolarHBondContact O-CA 3.26Å; L287-R290 WeakPolarHBondContact O-CB 3.4Å; L287-R290 PolarHBondContact O-N 3.42Å; F288-R290 VanDerWaalsContact C-N 3.26Å; F288-R290 PolarHBondContact O-N 3.32Å
291	T	69.9	Low	76.1	Confident	39 Å²	39	99.6 Å²	99.6	24%	0.239	49%	0.49	C	S	.	.	H	α-helix	trans	-92.4	-15.6	-178.8	58.2	0	0	0	0	113.5	E243 L287 F288	E243-T291 HydrophobicContact CB-CG2 3.63Å; L287-T291 WeakPolarHBondContact O-CG2 3.25Å; L287-T291 PolarHBondContact O-N 3.39Å; L287-T291 PolarHBondContact O-OG1 3.21Å; F288-T291 PolarHBondContact O-N 3.28Å; F288-T291 PolarHBondContact O-OG1 3Å; F288-T291 VanDerWaalsContact O-OG1 3.12Å
292	N	59.9	Low	75.1	Confident	120 Å²	120	102.5 Å²	102.5	64%	0.642	50%	0.502	S	S	*	.			trans	-111.4	14	-178.9	-68	-21.7	0	0	0	113.5	F288	F288-N292 PolarHBondContact O-N 3.35Å
293	L	43.9	Very low	73.9	Confident	199 Å²	199	100.2 Å²	100.2	100%	1.042	50%	0.497	S	S	*	.			trans	-118.8	0	168.8	-72.3	176.2	0	0	0	109.1	I289	I289-L293 HydrophobicContact CG2-CD1 4.11Å; I289-L293 WeakPolarHBondContact O-CG 3.45Å

Retrieved 293 of 293 residues in 296.9 ms (Link to these results)

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