X2JEK1_DROME Loading...

Peptidase S1 domain-containing protein

AlphaFold DB , UniProt , Accession X2JEK1, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG34171, Length 176 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	50.9	Low	47.4	Very low	218 Å²	218	117.2 Å²	117.2	100%	1.074	58%	0.577	S	S	*	*				0	-44	0	-66.7	-179.1	74.7	0	0	113.4	L3	M1-L3 PolarHBondContact O-N 2.93Å
2	L	41.2	Very low	47.6	Very low	138 Å²	138	111.3 Å²	111.3	72%	0.723	56%	0.56	S	S	*	*	H	α-helix	trans	-63.6	-37.2	177	-86.3	107.6	0	0	0	115.1	A4 Y5 F6	L2-A4 VanDerWaalsContact C-N 3.34Å; L2-A4 PolarHBondContact O-N 2.82Å; L2-Y5 WeakPolarHBondContact O-CB 3.14Å; L2-Y5 PolarHBondContact O-N 3.07Å; L2-F6 HydrophobicContact CD2-CE2 4.26Å; L2-F6 VanDerWaalsContact O-CD2 3.31Å; L2-F6 WeakPolarHBondContact O-CD2 3.4Å; L2-F6 PolarHBondContact O-N 3.48Å
3	L	45.6	Very low	47.9	Very low	150 Å²	150	112.8 Å²	112.8	79%	0.785	57%	0.57	S	S	*	*	H	α-helix	trans	-63.4	-36.2	-179	-81.4	159.3	0	0	0	113.3	M1 Y5 L7	M1-L3 PolarHBondContact O-N 2.93Å; L3-Y5 VanDerWaalsContact C-N 3.34Å; L3-L7 WeakPolarHBondContact O-CB 3.31Å; L3-L7 PolarHBondContact O-N 3.2Å
4	A	42.5	Very low	48.3	Very low	39 Å²	39	107.6 Å²	107.6	32%	0.322	55%	0.547	S	S	.	.	H	α-helix	trans	-68.2	-33.4	176.7	0	0	0	0	0	112.1	L2 L7 L8	L2-A4 VanDerWaalsContact C-N 3.34Å; L2-A4 PolarHBondContact O-N 2.82Å; A4-L7 PolarHBondContact O-N 3.2Å; A4-L8 WeakPolarHBondContact O-CG 3.35Å; A4-L8 PolarHBondContact O-N 3.28Å
5	Y	42.4	Very low	48.2	Very low	161 Å²	161	104.9 Å²	104.9	63%	0.631	53%	0.534	S	S	*	.	H	α-helix	trans	-69.8	-44	177.8	-170.1	-99.9	0	0	0	112.1	L2 L3 L7 L8 L9	L2-Y5 WeakPolarHBondContact O-CB 3.14Å; L2-Y5 PolarHBondContact O-N 3.07Å; L3-Y5 VanDerWaalsContact C-N 3.34Å; Y5-L7 PolarHBondContact O-N 3.4Å; Y5-L8 PolarHBondContact O-N 2.85Å; Y5-L9 HydrophobicContact CD1-CD1 3.97Å; Y5-L9 HydrophobicContact CE1-CD1 3.54Å; Y5-L9 PolarHBondContact O-N 3.32Å
6	F	51.2	Low	48	Very low	126 Å²	126	102.8 Å²	102.8	55%	0.553	53%	0.53	S	S	*	.	H	α-helix	trans	-63	-29.8	172.9	-80.6	-74	0	0	0	112.8	L2 K10	L2-F6 HydrophobicContact CD2-CE2 4.26Å; L2-F6 VanDerWaalsContact O-CD2 3.31Å; L2-F6 WeakPolarHBondContact O-CD2 3.4Å; L2-F6 PolarHBondContact O-N 3.48Å; F6-K10 WeakPolarHBondContact O-CG 3.46Å; F6-K10 PolarHBondContact O-N 3.46Å; F6-K10 VanDerWaalsContact O-N 3.1Å
7	L	49.5	Very low	47.9	Very low	78 Å²	78	107.7 Å²	107.7	41%	0.408	55%	0.546	S	S	.	.	H	α-helix	trans	-77.2	-42.5	180	-157.5	66.1	0	0	0	112.2	L3 A4 Y5 L9 K10 I11 P115	L3-L7 WeakPolarHBondContact O-CB 3.31Å; L3-L7 PolarHBondContact O-N 3.2Å; A4-L7 PolarHBondContact O-N 3.2Å; Y5-L7 PolarHBondContact O-N 3.4Å; L7-L9 VanDerWaalsContact C-N 3.3Å; L7-L9 PolarHBondContact O-N 2.98Å; L7-K10 PolarHBondContact O-N 3.18Å; L7-I11 PolarHBondContact O-N 3.18Å; L7-I11 VanDerWaalsContact O-N 3.11Å; L7-P115 HydrophobicContact CD2-CB 3.31Å; L7-P115 HydrophobicContact CD2-CG 4.11Å; L7-P115 HydrophobicContact CG-CB 4.14Å
8	L	49.7	Very low	47.3	Very low	107 Å²	107	109.2 Å²	109.2	56%	0.56	56%	0.555	S	S	*	*	H	α-helix	trans	-61.7	-38.7	170.2	-73.4	169	0	0	0	111.4	A4 Y5 K10 I11 A12	A4-L8 WeakPolarHBondContact O-CG 3.35Å; A4-L8 PolarHBondContact O-N 3.28Å; Y5-L8 PolarHBondContact O-N 2.85Å; L8-K10 VanDerWaalsContact C-N 3.34Å; L8-K10 PolarHBondContact O-N 3.1Å; L8-I11 PolarHBondContact O-N 3.11Å; L8-A12 VanDerWaalsContact O-CB 3.29Å; L8-A12 WeakPolarHBondContact O-CB 3.43Å; L8-A12 PolarHBondContact O-N 3.35Å
9	L	49.5	Very low	47.1	Very low	76 Å²	76	108.5 Å²	108.5	40%	0.398	55%	0.552	S	S	.	*	H	α-helix	trans	-61.4	-40.8	172.6	-117.3	102.8	0	0	0	112	Y5 L7 A12 L13	Y5-L9 HydrophobicContact CD1-CD1 3.97Å; Y5-L9 HydrophobicContact CE1-CD1 3.54Å; Y5-L9 PolarHBondContact O-N 3.32Å; L7-L9 VanDerWaalsContact C-N 3.3Å; L7-L9 PolarHBondContact O-N 2.98Å; L9-A12 PolarHBondContact O-N 3.49Å; L9-L13 HydrophobicContact CD2-CD1 4.24Å; L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 WeakPolarHBondContact O-CD1 3.49Å; L9-L13 WeakPolarHBondContact O-CG 3.42Å; L9-L13 PolarHBondContact O-N 2.82Å
10	K	48.4	Very low	46.6	Very low	146 Å²	146	107.8 Å²	107.8	64%	0.635	55%	0.554	S	S	*	*	H	α-helix	trans	-66.1	-38.8	178.1	-79.7	-177	178.2	-177	0	112.6	F6 L7 L8 L13 V14	F6-K10 WeakPolarHBondContact O-CG 3.46Å; F6-K10 PolarHBondContact O-N 3.46Å; F6-K10 VanDerWaalsContact O-N 3.1Å; L7-K10 PolarHBondContact O-N 3.18Å; L8-K10 VanDerWaalsContact C-N 3.34Å; L8-K10 PolarHBondContact O-N 3.1Å; K10-L13 PolarHBondContact O-N 3.39Å; K10-V14 WeakPolarHBondContact O-CB 3.49Å; K10-V14 WeakPolarHBondContact O-CG2 3.39Å; K10-V14 PolarHBondContact O-N 3.47Å; K10-V14 VanDerWaalsContact O-N 3.12Å
11	I	50.9	Low	46.2	Very low	50 Å²	50	108 Å²	108	26%	0.256	56%	0.56	S	S	.	*	H	α-helix	trans	-68.7	-44.3	175.8	-63.5	168.5	0	0	0	110.3	L7 L8 L13 V14 L15 P115	L7-I11 PolarHBondContact O-N 3.18Å; L7-I11 VanDerWaalsContact O-N 3.11Å; L8-I11 PolarHBondContact O-N 3.11Å; I11-L13 VanDerWaalsContact C-N 3.29Å; I11-L13 PolarHBondContact O-N 3.38Å; I11-V14 PolarHBondContact O-N 3.37Å; I11-V14 VanDerWaalsContact O-N 3.16Å; I11-L15 HydrophobicContact CG2-CD1 4.28Å; I11-L15 PolarHBondContact O-N 3.49Å; I11-P115 HydrophobicContact CD1-CG 4.03Å
12	A	49.3	Very low	45.6	Very low	46 Å²	46	104.1 Å²	104.1	38%	0.38	54%	0.542	S	S	.	.	H	α-helix	trans	-70.6	-19.4	177.2	0	0	0	0	0	114.3	L8 L9 L15	L8-A12 VanDerWaalsContact O-CB 3.29Å; L8-A12 WeakPolarHBondContact O-CB 3.43Å; L8-A12 PolarHBondContact O-N 3.35Å; L9-A12 PolarHBondContact O-N 3.49Å; A12-L15 VanDerWaalsContact O-O 3.06Å
13	L	51.3	Low	45.4	Very low	131 Å²	131	106.5 Å²	106.5	69%	0.686	55%	0.547	S	S	*	.	H	α-helix	trans	-84.4	-23.1	170.7	-79.7	164.3	0	0	0	112.5	L9 K10 I11	L9-L13 HydrophobicContact CD2-CD1 4.24Å; L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 WeakPolarHBondContact O-CD1 3.49Å; L9-L13 WeakPolarHBondContact O-CG 3.42Å; L9-L13 PolarHBondContact O-N 2.82Å; K10-L13 PolarHBondContact O-N 3.39Å; I11-L13 VanDerWaalsContact C-N 3.29Å; I11-L13 PolarHBondContact O-N 3.38Å
14	V	54.6	Low	45.3	Very low	41 Å²	41	103.7 Å²	103.7	25%	0.248	53%	0.531	C	S	.	.	H	α-helix	trans	-84.2	-31.2	177.2	168.9	0	0	0	0	111.2	K10 I11 I112 I127	K10-V14 WeakPolarHBondContact O-CB 3.49Å; K10-V14 WeakPolarHBondContact O-CG2 3.39Å; K10-V14 PolarHBondContact O-N 3.47Å; K10-V14 VanDerWaalsContact O-N 3.12Å; I11-V14 PolarHBondContact O-N 3.37Å; I11-V14 VanDerWaalsContact O-N 3.16Å; V14-I112 HydrophobicContact CG1-CD1 4.21Å; V14-I112 HydrophobicContact CG2-CD1 3.85Å; V14-I127 HydrophobicContact CG1-CD1 4.42Å
15	L	46.7	Very low	45	Very low	66 Å²	66	108.3 Å²	108.3	35%	0.346	55%	0.551	S	S	.	*	S	Bend	trans	-87.6	122.2	172.8	-64.1	174.1	0	0	0	109.7	I11 A12 K17 I127	I11-L15 HydrophobicContact CG2-CD1 4.28Å; I11-L15 PolarHBondContact O-N 3.49Å; A12-L15 VanDerWaalsContact O-O 3.06Å; L15-K17 PolarHBondContact O-N 3.12Å; L15-I127 HydrophobicContact CD2-CD1 4.22Å
16	P	44.5	Very low	45	Very low	72 Å²	72	109.6 Å²	109.6	47%	0.468	56%	0.562	S	S	.	*			trans	-61.1	127.4	176	23	-30	0	0	0	110	N18 I19	P16-N18 PolarHBondContact O-N 3.44Å; P16-I19 HydrophobicContact CG-CG1 4.35Å
17	K	46.5	Very low	44.3	Very low	186 Å²	186	112.2 Å²	112.2	81%	0.809	57%	0.57	S	S	*	*	S	Bend	trans	-65.7	4.2	178.7	-73.5	-174.3	175.7	-177.7	0	115	L15	L15-K17 PolarHBondContact O-N 3.12Å
18	N	37.6	Very low	43.7	Very low	134 Å²	134	116.9 Å²	116.9	72%	0.717	59%	0.589	S	S	*	*			trans	-136.5	63.1	179.4	-89.1	-7.4	0	0	0	110.4	P16 T20	P16-N18 PolarHBondContact O-N 3.44Å; N18-T20 HydrophobicContact CB-CG2 4.47Å; N18-T20 PolarHBondContact O-N 3.24Å
19	I	43.2	Very low	43.2	Very low	96 Å²	96	118.5 Å²	118.5	49%	0.492	59%	0.594	S	S	.	*			trans	-77.4	75.1	150.8	-57.8	175.7	0	0	0	105	P16 T21 L146	P16-I19 HydrophobicContact CG-CG1 4.35Å; I19-T21 PolarHBondContact O-N 2.82Å; I19-L146 HydrophobicContact CD1-CD1 4.44Å
20	T	37.4	Very low	42.8	Very low	95 Å²	95	117.1 Å²	117.1	58%	0.583	59%	0.589	S	S	*	*			trans	-58.3	120.6	170.6	41.6	0	0	0	0	107	N18 I22	N18-T20 HydrophobicContact CB-CG2 4.47Å; N18-T20 PolarHBondContact O-N 3.24Å; T20-I22 PolarHBondContact O-N 3.03Å
21	T	37.6	Very low	42.7	Very low	113 Å²	113	114.8 Å²	114.8	69%	0.693	59%	0.587	S	S	*	*			trans	-45.4	98.5	168.4	24.5	0	0	0	0	109.9	I19 K23	I19-T21 PolarHBondContact O-N 2.82Å; T21-K23 PolarHBondContact O-N 3.49Å
22	I	38.9	Very low	42.8	Very low	135 Å²	135	120.7 Å²	120.7	69%	0.692	61%	0.608	S	S	*	*			trans	-76.3	106	160.8	-56.5	178.6	0	0	0	104.3	T20 I24	T20-I22 PolarHBondContact O-N 3.03Å; I22-I24 VanDerWaalsContact C-N 3.28Å; I22-I24 HydrophobicContact CB-CG1 4.2Å; I22-I24 HydrophobicContact CG2-CD1 4.48Å; I22-I24 HydrophobicContact CG2-CG1 3.63Å; I22-I24 PolarHBondContact O-N 3.32Å
23	K	36.6	Very low	43.1	Very low	189 Å²	189	120.1 Å²	120.1	82%	0.822	60%	0.601	S	S	*	*			trans	-64.4	96.3	163	-97.4	-174.9	173.8	-178.8	0	106.6	T21 N25	T21-K23 PolarHBondContact O-N 3.49Å; K23-N25 PolarHBondContact O-N 2.92Å
24	I	43.6	Very low	43.9	Very low	90 Å²	90	117.4 Å²	117.4	46%	0.462	59%	0.585	S	S	.	*			trans	-83.4	94.4	173.5	-58.2	-177.8	0	0	0	106.8	I22 Y27	I22-I24 VanDerWaalsContact C-N 3.28Å; I22-I24 HydrophobicContact CB-CG1 4.2Å; I22-I24 HydrophobicContact CG2-CD1 4.48Å; I22-I24 HydrophobicContact CG2-CG1 3.63Å; I22-I24 PolarHBondContact O-N 3.32Å; I24-Y27 HydrophobicContact CD1-CE2 4.41Å; I24-Y27 HydrophobicContact CG2-CD2 3.24Å; I24-Y27 HydrophobicContact CG2-CE2 3.37Å
25	N	36.6	Very low	45	Very low	137 Å²	137	117 Å²	117	73%	0.733	58%	0.581	S	S	*	*			trans	-72	126.7	165.7	-73.1	-19.3	0	0	0	108.3	K23	K23-N25 PolarHBondContact O-N 2.92Å
26	H	40.7	Very low	46.6	Very low	188 Å²	188	114.1 Å²	114.1	87%	0.87	57%	0.567	S	S	*	*			trans	55.4	94.1	173	-79.8	-75	0	0	0	116.8
27	Y	36.6	Very low	48.5	Very low	181 Å²	181	110.9 Å²	110.9	71%	0.71	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-93.7	126.1	149.5	-101.1	-105.3	0	0	0	109.6	I24	I24-Y27 HydrophobicContact CD1-CE2 4.41Å; I24-Y27 HydrophobicContact CG2-CD2 3.24Å; I24-Y27 HydrophobicContact CG2-CE2 3.37Å
28	H	37.7	Very low	50.5	Low	175 Å²	175	105.6 Å²	105.6	81%	0.81	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-52.9	137.8	164.1	-150	-86.9	0	0	0	108.9	P30	H28-P30 VanDerWaalsContact O-CD 3.3Å; H28-P30 WeakPolarHBondContact O-CD 3.37Å
29	E	39.5	Very low	53	Low	141 Å²	141	99.8 Å²	99.8	66%	0.659	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-50.9	116.8	176.5	-90.4	-74.8	160.4	0	0	109.1	T31 K158	E29-T31 PolarHBondContact O-N 3.27Å; E29-K158 IonicContact OE1-NZ 3.54Å; E29-K158 IonicContact OE2-NZ 2.92Å; E29-K158 PolarHBondContact OE2-NZ 2.78Å; E29-K158 VanDerWaalsContact OE2-NZ 3.09Å
30	P	40.3	Very low	55.4	Low	47 Å²	47	95.2 Å²	95.2	31%	0.305	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-72.8	130.1	-176.2	22.8	-27.2	0	0	0	110.2	H28 Y32 H34 L35	H28-P30 VanDerWaalsContact O-CD 3.3Å; H28-P30 WeakPolarHBondContact O-CD 3.37Å; P30-Y32 PolarHBondContact O-N 2.69Å; P30-H34 HydrophobicContact CB-CB 3.8Å; P30-L35 HydrophobicContact CG-CD2 4.33Å; P30-L35 HydrophobicContact CG-CG 4.48Å
31	T	47.4	Very low	58	Low	97 Å²	97	90.7 Å²	90.7	60%	0.595	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-49.7	137.1	157.4	-6.2	0	0	0	0	108.8	E29 S33 H34	E29-T31 PolarHBondContact O-N 3.27Å; T31-S33 PolarHBondContact O-N 2.87Å; T31-H34 PolarHBondContact O-CD2 2.92Å; T31-H34 VanDerWaalsContact O-CD2 3.27Å; T31-H34 PolarHBondContact O-N 2.8Å
32	Y	52.3	Low	60.8	Low	174 Å²	174	85.3 Å²	85.3	68%	0.682	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	-18.3	-169.9	-69.3	-89.2	0	0	0	116.6	P30 H34 V166	P30-Y32 PolarHBondContact O-N 2.69Å; Y32-H34 VanDerWaalsContact C-N 3.35Å; Y32-V166 HydrophobicContact CD1-CB 4.13Å; Y32-V166 HydrophobicContact CD1-CG2 4.14Å; Y32-V166 HydrophobicContact CE1-CB 4.42Å
33	S	55.3	Low	63.4	Low	35 Å²	35	79.2 Å²	79.2	25%	0.245	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.4	173.6	50.9	0	0	0	0	115.4	T31 S36	T31-S33 PolarHBondContact O-N 2.87Å; S33-S36 PolarHBondContact O-OG 2.84Å
34	H	67.8	Low	66.1	Low	73 Å²	73	73 Å²	73	34%	0.338	35%	0.352	S	S	.	.	S	Bend	trans	-87.2	-20.9	-171.2	-64	-69.6	0	0	0	114.2	P30 T31 Y32 S36 S37	P30-H34 HydrophobicContact CB-CB 3.8Å; T31-H34 PolarHBondContact O-CD2 2.92Å; T31-H34 VanDerWaalsContact O-CD2 3.27Å; T31-H34 PolarHBondContact O-N 2.8Å; Y32-H34 VanDerWaalsContact C-N 3.35Å; H34-S36 VanDerWaalsContact C-N 3.35Å; H34-S37 VanDerWaalsContact O-CB 3.23Å; H34-S37 WeakPolarHBondContact O-CB 3.29Å; H34-S37 PolarHBondContact O-N 2.73Å; H34-S37 PolarHBondContact O-OG 3.34Å
35	L	77.6	Confident	68.3	Low	34 Å²	34	74.4 Å²	74.4	18%	0.178	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-79	-21.4	179.8	-61.7	171.9	0	0	0	112.8	P30 S37 Y38 K158 I160 V166	P30-L35 HydrophobicContact CG-CD2 4.33Å; P30-L35 HydrophobicContact CG-CG 4.48Å; L35-S37 PolarHBondContact O-N 2.97Å; L35-Y38 HydrophobicContact CD2-CE2 4.22Å; L35-Y38 WeakPolarHBondContact O-CD2 3.48Å; L35-Y38 PolarHBondContact O-N 2.89Å; L35-K158 HydrophobicContact CD1-CD 4.23Å; L35-I160 HydrophobicContact CB-CD1 3.12Å; L35-I160 HydrophobicContact CD1-CD1 3.66Å; L35-I160 HydrophobicContact CG-CD1 3.94Å; L35-V166 HydrophobicContact CD1-CG1 4.3Å; L35-V166 HydrophobicContact CD1-CG2 4.45Å
36	S	80.4	Confident	70.8	Confident	5 Å²	5	76.4 Å²	76.4	4%	0.035	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-68.9	-18.7	171.4	51	0	0	0	0	112.6	S33 H34 Y38 L39 F96 T98	S33-S36 PolarHBondContact O-OG 2.84Å; H34-S36 VanDerWaalsContact C-N 3.35Å; S36-Y38 PolarHBondContact O-N 2.98Å; S36-Y38 VanDerWaalsContact O-N 3.12Å; S36-L39 WeakPolarHBondContact O-CB 3.13Å; S36-L39 PolarHBondContact O-N 2.81Å; S36-F96 WeakPolarHBondContact CB-O 3.46Å; S36-F96 PolarHBondContact OG-O 3.08Å; S36-T98 VanDerWaalsContact OG-CG2 3.29Å; S36-T98 WeakPolarHBondContact OG-CG2 3.24Å
37	S	86.1	Confident	72.9	Confident	4 Å²	4	73.4 Å²	73.4	3%	0.028	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-60.7	-21.2	176.3	-39.1	0	0	0	0	113.9	H34 L35 H139 H140 L141 A142	H34-S37 VanDerWaalsContact O-CB 3.23Å; H34-S37 WeakPolarHBondContact O-CB 3.29Å; H34-S37 PolarHBondContact O-N 2.73Å; H34-S37 PolarHBondContact O-OG 3.34Å; L35-S37 PolarHBondContact O-N 2.97Å; S37-H139 PolarHBondContact OG-O 3.33Å; S37-H140 VanDerWaalsContact CA-O 3.25Å; S37-H140 WeakPolarHBondContact CA-O 3.48Å; S37-H140 WeakPolarHBondContact CB-O 3.19Å; S37-L141 WeakPolarHBondContact O-CA 3.3Å; S37-A142 PolarHBondContact O-N 3.23Å
38	Y	87.6	Confident	75.1	Confident	74 Å²	74	71.5 Å²	71.5	29%	0.29	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-87	-18.1	176.3	-57.5	-71.8	0	0	0	112.9	L35 S36 V60 I61 A142 P143 V144	L35-Y38 HydrophobicContact CD2-CE2 4.22Å; L35-Y38 WeakPolarHBondContact O-CD2 3.48Å; L35-Y38 PolarHBondContact O-N 2.89Å; S36-Y38 PolarHBondContact O-N 2.98Å; S36-Y38 VanDerWaalsContact O-N 3.12Å; Y38-V60 CarbonylContact O-C 3.54Å; Y38-V60 VanDerWaalsContact O-CA 3.24Å; Y38-V60 WeakPolarHBondContact O-CA 3.35Å; Y38-I61 PolarHBondContact O-N 3.17Å; Y38-A142 HydrophobicContact CD1-CB 3.88Å; Y38-A142 VanDerWaalsContact CD1-O 3.24Å; Y38-A142 WeakPolarHBondContact CD1-O 3.4Å; Y38-A142 HydrophobicContact CE1-CB 3.48Å; Y38-A142 VanDerWaalsContact CE1-CB 3.48Å; Y38-P143 WeakPolarHBondContact CE1-O 3.25Å; Y38-V144 HydrophobicContact CD1-CG1 3.65Å; Y38-V144 HydrophobicContact CG-CG1 3.86Å
39	L	90.1	Very high	77.5	Confident	13 Å²	13	70.8 Å²	70.8	7%	0.068	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	147.3	-168	-58.5	-176.5	0	0	0	112.1	S36 T58 G59 V60 F96 I160	S36-L39 WeakPolarHBondContact O-CB 3.13Å; S36-L39 PolarHBondContact O-N 2.81Å; L39-T58 HydrophobicContact CB-CG2 4.39Å; L39-T58 HydrophobicContact CD2-CG2 4.04Å; L39-G59 WeakPolarHBondContact CA-O 3.23Å; L39-V60 HydrophobicContact CD2-CG1 4.07Å; L39-F96 HydrophobicContact CB-CD2 3.95Å; L39-F96 HydrophobicContact CB-CE1 4.43Å; L39-F96 HydrophobicContact CB-CE2 3.84Å; L39-F96 HydrophobicContact CB-CG 4.31Å; L39-F96 HydrophobicContact CB-CZ 4.1Å; L39-F96 HydrophobicContact CD1-CD1 3.84Å; L39-F96 HydrophobicContact CD1-CE1 4Å; L39-F96 HydrophobicContact CD1-CG 4.2Å; L39-F96 HydrophobicContact CD1-CZ 4.47Å; L39-I160 HydrophobicContact CD1-CB 4.01Å; L39-I160 HydrophobicContact CD1-CG2 3.58Å
40	V	93	Very high	79.5	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	150.2	166.6	-54.2	0	0	0	0	110.8	L42 T58 G59 I61 V67 V89 L91	V40-L42 HydrophobicContact CG2-CD2 4.49Å; V40-T58 WeakPolarHBondContact O-CA 3.35Å; V40-T58 WeakPolarHBondContact O-CG2 3.49Å; V40-G59 PolarHBondContact N-O 3.04Å; V40-G59 PolarHBondContact O-N 2.85Å; V40-I61 HydrophobicContact CG1-CD1 4.18Å; V40-I61 HydrophobicContact CG1-CG1 3.66Å; V40-V67 HydrophobicContact CG1-CG2 4.21Å; V40-V67 HydrophobicContact CG2-CB 4.38Å; V40-V67 HydrophobicContact CG2-CG1 3.43Å; V40-V67 VanDerWaalsContact CG2-CG1 3.43Å; V40-V67 HydrophobicContact CG2-CG2 4.01Å; V40-V89 HydrophobicContact CB-CG1 3.64Å; V40-V89 HydrophobicContact CG1-CG1 4.05Å; V40-V89 HydrophobicContact CG2-CG1 3.74Å; V40-L91 HydrophobicContact CG1-CD2 3.74Å; V40-L91 HydrophobicContact CG1-CG 3.9Å
41	S	93	Very high	81.2	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	115.6	178.4	176.8	0	0	0	0	108.9	R43 H55 A90	S41-R43 WeakPolarHBondContact OG-CG 3.38Å; S41-R43 PolarHBondContact OG-NE 3.36Å; S41-H55 PolarHBondContact OG-ND1 2.96Å; S41-A90 PolarHBondContact N-O 2.82Å; S41-A90 PolarHBondContact O-N 3.05Å
42	L	94.9	Very high	82.7	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	125.9	169.8	-55.8	-174.8	0	0	0	108.7	V40 H55 F56 C57 T69 C73 V89 I128	V40-L42 HydrophobicContact CG2-CD2 4.49Å; L42-H55 PolarHBondContact O-ND1 2.83Å; L42-F56 HydrophobicContact CB-CE1 4.24Å; L42-F56 HydrophobicContact CB-CE2 4.08Å; L42-F56 HydrophobicContact CB-CZ 3.8Å; L42-F56 PolarHBondContact O-N 2.93Å; L42-F56 VanDerWaalsContact O-N 3.08Å; L42-C57 WeakPolarHBondContact CA-O 3.48Å; L42-C57 HydrophobicContact CB-CB 4Å; L42-C57 WeakPolarHBondContact CB-O 3.3Å; L42-C57 HydrophobicContact CD1-CB 3.92Å; L42-C57 HydrophobicContact CG-CB 4.31Å; L42-C57 PolarHBondContact N-O 2.88Å; L42-T69 HydrophobicContact CD1-CG2 4.15Å; L42-C73 HydrophobicContact CD1-CB 4.2Å; L42-V89 HydrophobicContact CD2-CG2 3.83Å; L42-I128 HydrophobicContact CD1-CD1 3.95Å; L42-I128 HydrophobicContact CD2-CD1 3.66Å; L42-I128 HydrophobicContact CG-CD1 4.49Å
43	R	93.9	Very high	84.3	Confident	6 Å²	6	60.5 Å²	60.5	2%	0.023	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	150.2	-174.5	-57.1	-176.1	178	171.2	0.9	111.4	S41 N54 H55 F56 I87 V88 E103	S41-R43 WeakPolarHBondContact OG-CG 3.38Å; S41-R43 PolarHBondContact OG-NE 3.36Å; R43-N54 CarbonylContact C-O 3.53Å; R43-N54 VanDerWaalsContact CA-O 3.22Å; R43-N54 WeakPolarHBondContact CA-O 3.5Å; R43-N54 HydrophobicContact CB-CB 4.49Å; R43-H55 HydrophobicContact CG-CB 4.26Å; R43-F56 VanDerWaalsContact C-CE1 3.45Å; R43-I87 WeakPolarHBondContact O-CA 3.35Å; R43-V88 HydrophobicContact CB-CG2 3.98Å; R43-V88 PolarHBondContact N-O 2.79Å; R43-V88 PolarHBondContact O-N 2.95Å; R43-E103 IonicContact CZ-OE1 2.65Å; R43-E103 IonicContact CZ-OE2 3.8Å; R43-E103 VanDerWaalsContact NH1-CD 3.3Å; R43-E103 IonicContact NH1-OE1 3.37Å; R43-E103 PolarHBondContact NH1-OE1 3.23Å; R43-E103 IonicContact NH1-OE2 3.73Å; R43-E103 PolarHBondContact NH1-OE2 3.27Å; R43-E103 IonicContact NH2-OE1 3.71Å; R43-E103 IonicContact NH2-OE2 3.09Å; R43-E103 PolarHBondContact NH2-OE2 2.95Å
44	T	93.9	Very high	86	Confident	59 Å²	59	59.8 Å²	59.8	36%	0.362	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	164.2	165.1	76.7	0	0	0	0	109.5	K46 N54 F56	T44-K46 VanDerWaalsContact C-N 3.35Å; T44-K46 PolarHBondContact O-N 3.04Å; T44-K46 PolarHBondContact OG1-O 2.82Å; T44-K46 VanDerWaalsContact OG1-O 3.12Å; T44-N54 PolarHBondContact N-O 3.4Å; T44-N54 PolarHBondContact O-ND2 3.16Å; T44-N54 WeakPolarHBondContact OG1-CB 3.48Å; T44-F56 HydrophobicContact CG2-CD1 3.92Å; T44-F56 HydrophobicContact CG2-CE1 4.2Å
45	R	89.9	Confident	87.1	Confident	120 Å²	120	58.4 Å²	58.4	45%	0.453	29%	0.286	S	S	.	.	S	Bend	trans	-66.6	-30.6	-177.9	-81.1	-153.2	-178.6	-88.5	-15.2	115.5	K85 R86 V88 D107	R45-K85 WeakPolarHBondContact CD-O 3.14Å; R45-K85 PolarHBondContact NE-O 2.92Å; R45-R86 PolarHBondContact N-O 2.87Å; R45-V88 HydrophobicContact CG-CG1 4.07Å; R45-D107 IonicContact CZ-OD1 2.74Å; R45-D107 VanDerWaalsContact CZ-OD1 3.29Å; R45-D107 IonicContact NH1-OD1 3.49Å; R45-D107 PolarHBondContact NH1-OD1 3.43Å; R45-D107 IonicContact NH2-OD1 3.32Å; R45-D107 PolarHBondContact NH2-OD1 3.29Å; R45-D107 IonicContact NH2-OD2 3.46Å
46	K	88.8	Confident	87.8	Confident	179 Å²	179	60.4 Å²	60.4	78%	0.778	29%	0.294	S	S	*	.			trans	-116	124.9	-173.9	-67.5	-172.6	176.7	-173.4	0	108.6	T44	T44-K46 VanDerWaalsContact C-N 3.35Å; T44-K46 PolarHBondContact O-N 3.04Å; T44-K46 PolarHBondContact OG1-O 2.82Å; T44-K46 VanDerWaalsContact OG1-O 3.12Å
47	Y	85.5	Confident	88.5	Confident	125 Å²	125	61 Å²	61	49%	0.49	30%	0.298	S	S	.	.			trans	-83	160	165.9	64.1	-96.7	0	0	0	110	T50 P51 D53	Y47-T50 WeakPolarHBondContact CB-O 3.4Å; Y47-T50 VanDerWaalsContact CD2-C 3.44Å; Y47-P51 HydrophobicContact CD1-CG 4.44Å; Y47-P51 HydrophobicContact CE1-CG 4.06Å; Y47-P51 HydrophobicContact CE2-CG 4.43Å; Y47-D53 WeakPolarHBondContact CA-OD1 3.38Å; Y47-D53 WeakPolarHBondContact CB-OD1 3.48Å
48	I	83.4	Confident	88.8	Confident	140 Å²	140	62.9 Å²	62.9	72%	0.718	31%	0.309	S	S	*	.	S	Bend	trans	-94.5	-50.5	-175.2	-58.3	178.3	0	0	0	110.4	D53	I48-D53 PolarHBondContact N-OD1 2.83Å; I48-D53 PolarHBondContact N-OD2 3.25Å; I48-D53 VanDerWaalsContact N-OD2 3.13Å
49	H	86.5	Confident	89.1	Confident	160 Å²	160	59.5 Å²	59.5	74%	0.741	30%	0.297	S	S	*	.	S	Bend	trans	-119.1	-48.4	-174.7	-59.5	-57.4	0	0	0	111.6	D53	H49-D53 WeakPolarHBondContact CA-OD2 2.96Å; H49-D53 PolarHBondContact N-OD2 2.91Å
50	T	81.3	Confident	89.2	Confident	85 Å²	85	60.7 Å²	60.7	52%	0.521	31%	0.305	S	S	.	.	S	Bend	trans	-141.6	146.9	-174.9	57.9	0	0	0	0	112.6	Y47 G52 D53	Y47-T50 WeakPolarHBondContact CB-O 3.4Å; Y47-T50 VanDerWaalsContact CD2-C 3.44Å; T50-G52 PolarHBondContact O-N 2.9Å; T50-G52 VanDerWaalsContact O-N 3.11Å; T50-D53 PolarHBondContact N-OD2 2.71Å; T50-D53 PolarHBondContact O-N 3Å; T50-D53 VanDerWaalsContact O-N 3.08Å
51	P	75.7	Confident	89.3	Confident	80 Å²	80	60.9 Å²	60.9	52%	0.519	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	121.1	172.9	-26.4	34.8	0	0	0	111.5	Y47	Y47-P51 HydrophobicContact CD1-CG 4.44Å; Y47-P51 HydrophobicContact CE1-CG 4.06Å; Y47-P51 HydrophobicContact CE2-CG 4.43Å
52	G	80.6	Confident	89.3	Confident	16 Å²	16	62 Å²	62	17%	0.165	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	108.9	-20.1	-178.6	0	0	0	0	0	115.1	T50 N54 H55	T50-G52 PolarHBondContact O-N 2.9Å; T50-G52 VanDerWaalsContact O-N 3.11Å; G52-N54 WeakPolarHBondContact CA-OD1 3.39Å; G52-N54 PolarHBondContact N-OD1 3.12Å; G52-N54 PolarHBondContact O-N 2.8Å; G52-N54 VanDerWaalsContact O-N 3.16Å; G52-H55 VanDerWaalsContact O-CB 3.23Å; G52-H55 WeakPolarHBondContact O-CB 3.29Å; G52-H55 PolarHBondContact O-N 3.23Å
53	D	84.9	Confident	89.2	Confident	63 Å²	63	63.7 Å²	63.7	34%	0.337	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.4	177.2	72.8	17.8	0	0	0	114	Y47 I48 H49 T50 H55	Y47-D53 WeakPolarHBondContact CA-OD1 3.38Å; Y47-D53 WeakPolarHBondContact CB-OD1 3.48Å; I48-D53 PolarHBondContact N-OD1 2.83Å; I48-D53 PolarHBondContact N-OD2 3.25Å; I48-D53 VanDerWaalsContact N-OD2 3.13Å; H49-D53 WeakPolarHBondContact CA-OD2 2.96Å; H49-D53 PolarHBondContact N-OD2 2.91Å; T50-D53 PolarHBondContact N-OD2 2.71Å; T50-D53 PolarHBondContact O-N 3Å; T50-D53 VanDerWaalsContact O-N 3.08Å; D53-H55 VanDerWaalsContact C-N 3.27Å
54	N	90.6	Very high	89.3	Confident	19 Å²	19	66.7 Å²	66.7	10%	0.102	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	5.7	175.8	52.8	-18.5	0	0	0	113.2	R43 T44 G52	R43-N54 CarbonylContact C-O 3.53Å; R43-N54 VanDerWaalsContact CA-O 3.22Å; R43-N54 WeakPolarHBondContact CA-O 3.5Å; R43-N54 HydrophobicContact CB-CB 4.49Å; T44-N54 PolarHBondContact N-O 3.4Å; T44-N54 PolarHBondContact O-ND2 3.16Å; T44-N54 WeakPolarHBondContact OG1-CB 3.48Å; G52-N54 WeakPolarHBondContact CA-OD1 3.39Å; G52-N54 PolarHBondContact N-OD1 3.12Å; G52-N54 PolarHBondContact O-N 2.8Å; G52-N54 VanDerWaalsContact O-N 3.16Å
55	H	91.7	Very high	89.4	Confident	44 Å²	44	66.1 Å²	66.1	20%	0.204	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	132.5	170.5	174.2	72.1	0	0	0	111.1	S41 L42 R43 G52 D53 C57 L95	S41-H55 PolarHBondContact OG-ND1 2.96Å; L42-H55 PolarHBondContact O-ND1 2.83Å; R43-H55 HydrophobicContact CG-CB 4.26Å; G52-H55 VanDerWaalsContact O-CB 3.23Å; G52-H55 WeakPolarHBondContact O-CB 3.29Å; G52-H55 PolarHBondContact O-N 3.23Å; D53-H55 VanDerWaalsContact C-N 3.27Å; H55-C57 PolarHBondContact CE1-O 2.84Å; H55-C57 PolarHBondContact ND1-O 3.4Å; H55-L95 HydrophobicContact CB-CD2 4.3Å
56	F	92.3	Very high	89.8	Confident	76 Å²	76	62 Å²	62	33%	0.333	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	-19.4	177.2	66.8	-96.8	0	0	0	113.3	L42 R43 T44 C73 I87	L42-F56 HydrophobicContact CB-CE1 4.24Å; L42-F56 HydrophobicContact CB-CE2 4.08Å; L42-F56 HydrophobicContact CB-CZ 3.8Å; L42-F56 PolarHBondContact O-N 2.93Å; L42-F56 VanDerWaalsContact O-N 3.08Å; R43-F56 VanDerWaalsContact C-CE1 3.45Å; T44-F56 HydrophobicContact CG2-CD1 3.92Å; T44-F56 HydrophobicContact CG2-CE1 4.2Å; F56-C73 HydrophobicContact CE2-CB 4.47Å; F56-C73 WeakPolarHBondContact CE2-O 3.46Å; F56-I87 HydrophobicContact CE1-CG1 4.5Å; F56-I87 HydrophobicContact CE1-CG2 4.21Å; F56-I87 HydrophobicContact CZ-CD1 4.22Å; F56-I87 HydrophobicContact CZ-CG1 4.18Å; F56-I87 HydrophobicContact CZ-CG2 3.93Å
57	C	94.1	Very high	90.2	Very high	19 Å²	19	53.6 Å²	53.6	13%	0.128	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	162.7	-178.5	-89.1	0	0	0	0	112.2	L42 H55 C73	L42-C57 WeakPolarHBondContact CA-O 3.48Å; L42-C57 HydrophobicContact CB-CB 4Å; L42-C57 WeakPolarHBondContact CB-O 3.3Å; L42-C57 HydrophobicContact CD1-CB 3.92Å; L42-C57 HydrophobicContact CG-CB 4.31Å; L42-C57 PolarHBondContact N-O 2.88Å; H55-C57 PolarHBondContact CE1-O 2.84Å; H55-C57 PolarHBondContact ND1-O 3.4Å; C57-C73 HydrophobicContact CB-CB 3.63Å; C57-C73 WeakPolarHBondContact CB-SG 3.24Å; C57-C73 VanDerWaalsContact SG-CA 3.57Å; C57-C73 WeakPolarHBondContact SG-CB 3.38Å; C57-C73 CovalentContact SG-SG 2.02Å; C57-C73 PolarHBondContact SG-SG 2.87Å
58	T	92.9	Very high	90.7	Very high	42 Å²	42	49.3 Å²	49.3	26%	0.258	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	156.2	175.4	-56.9	0	0	0	0	110.5	L39 V40 T69 F96	L39-T58 HydrophobicContact CB-CG2 4.39Å; L39-T58 HydrophobicContact CD2-CG2 4.04Å; V40-T58 WeakPolarHBondContact O-CA 3.35Å; V40-T58 WeakPolarHBondContact O-CG2 3.49Å; T58-T69 PolarHBondContact O-OG1 3.32Å; T58-F96 HydrophobicContact CG2-CE1 4.48Å; T58-F96 HydrophobicContact CG2-CZ 4.08Å
59	G	93.5	Very high	91.3	Very high	3 Å²	3	43.2 Å²	43.2	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	175.5	165.4	0	0	0	0	0	111	L39 V40 L68	L39-G59 WeakPolarHBondContact CA-O 3.23Å; V40-G59 PolarHBondContact N-O 3.04Å; V40-G59 PolarHBondContact O-N 2.85Å; G59-L68 CarbonylContact C-O 3.51Å; G59-L68 WeakPolarHBondContact CA-O 3.34Å
60	V	93.4	Very high	91.8	Very high	39 Å²	39	36.6 Å²	36.6	24%	0.236	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	145	175.4	-58.3	0	0	0	0	111.1	Y38 L39 L62 V67 L68 V144	Y38-V60 CarbonylContact O-C 3.54Å; Y38-V60 VanDerWaalsContact O-CA 3.24Å; Y38-V60 WeakPolarHBondContact O-CA 3.35Å; L39-V60 HydrophobicContact CD2-CG1 4.07Å; V60-L62 PolarHBondContact O-N 2.94Å; V60-V67 CarbonylContact O-C 3.6Å; V60-V67 VanDerWaalsContact O-CA 3.29Å; V60-V67 WeakPolarHBondContact O-CA 3.49Å; V60-L68 HydrophobicContact CG2-CB 3.72Å; V60-L68 HydrophobicContact CG2-CD2 4.12Å; V60-L68 HydrophobicContact CG2-CG 4.37Å; V60-L68 PolarHBondContact N-O 3.26Å; V60-L68 PolarHBondContact O-N 2.8Å; V60-V144 HydrophobicContact CB-CG1 4.05Å; V60-V144 HydrophobicContact CB-CG2 4.37Å; V60-V144 HydrophobicContact CG2-CG1 4.41Å; V60-V144 HydrophobicContact CG2-CG2 3.91Å
61	I	93.9	Very high	92.5	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.015	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	119.7	-179.4	-59.3	171.1	0	0	0	108.9	Y38 V40 T63 L91 L136 L141 P143 V144	Y38-I61 PolarHBondContact O-N 3.17Å; V40-I61 HydrophobicContact CG1-CD1 4.18Å; V40-I61 HydrophobicContact CG1-CG1 3.66Å; I61-T63 WeakPolarHBondContact CG2-O 3.38Å; I61-L91 HydrophobicContact CD1-CD2 4.02Å; I61-L91 HydrophobicContact CG1-CD2 4.48Å; I61-L136 HydrophobicContact CD1-CD2 4.47Å; I61-L136 HydrophobicContact CG2-CD1 4.43Å; I61-L136 HydrophobicContact CG2-CD2 4.02Å; I61-L141 HydrophobicContact CD1-CB 4.27Å; I61-L141 HydrophobicContact CD1-CD2 3.76Å; I61-P143 HydrophobicContact CG2-CB 4.25Å; I61-P143 CarbonylContact O-C 3.5Å; I61-P143 VanDerWaalsContact O-CA 3.28Å; I61-P143 WeakPolarHBondContact O-CA 3.35Å; I61-V144 WeakPolarHBondContact O-CG2 3.3Å; I61-V144 PolarHBondContact O-N 3.25Å
62	L	93.1	Very high	93.5	Very high	23 Å²	23	32.6 Å²	32.6	12%	0.12	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-39.3	171.8	-70.6	179.9	0	0	0	112	V60 H66 L68 I127 V144 L146	V60-L62 PolarHBondContact O-N 2.94Å; L62-H66 HydrophobicContact CB-CB 4.31Å; L62-H66 PolarHBondContact N-O 3.26Å; L62-L68 HydrophobicContact CD1-CB 3.75Å; L62-L68 HydrophobicContact CD1-CD1 4.27Å; L62-L68 HydrophobicContact CD2-CB 3.95Å; L62-L68 HydrophobicContact CD2-CD2 4.25Å; L62-L68 HydrophobicContact CG-CB 3.67Å; L62-I127 HydrophobicContact CD1-CD1 4.43Å; L62-I127 HydrophobicContact CD1-CG1 4.42Å; L62-V144 HydrophobicContact CD2-CG2 3.86Å; L62-L146 HydrophobicContact CD2-CD1 4.31Å; L62-L146 HydrophobicContact CD2-CD2 3.9Å; L62-L146 HydrophobicContact CD2-CG 4.22Å
63	T	93.7	Very high	94.2	Very high	36 Å²	36	32.3 Å²	32.3	22%	0.221	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	176.2	-179.9	65.1	0	0	0	0	108.3	I61 R65 H66	I61-T63 WeakPolarHBondContact CG2-O 3.38Å; T63-R65 PolarHBondContact O-N 3.02Å; T63-R65 PolarHBondContact OG1-N 3.2Å; T63-H66 PolarHBondContact N-O 3.17Å; T63-H66 PolarHBondContact O-N 3.47Å; T63-H66 VanDerWaalsContact OG1-CB 3.3Å; T63-H66 WeakPolarHBondContact OG1-CB 3.36Å; T63-H66 PolarHBondContact OG1-N 2.65Å; T63-H66 VanDerWaalsContact OG1-N 3.08Å; T63-H66 PolarHBondContact OG1-ND1 2.92Å
64	N	95.3	Very high	94.8	Very high	69 Å²	69	29.3 Å²	29.3	37%	0.369	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-0.7	175.2	67.4	-0.1	0	0	0	115	Y133 V134 L136	N64-Y133 CarbonylContact O-C 3.59Å; N64-Y133 WeakPolarHBondContact O-CA 3.41Å; N64-Y133 WeakPolarHBondContact OD1-CD1 2.93Å; N64-V134 VanDerWaalsContact CB-O 3.29Å; N64-V134 WeakPolarHBondContact CB-O 3.29Å; N64-V134 PolarHBondContact O-N 3.36Å; N64-L136 HydrophobicContact CB-CD1 3.89Å; N64-L136 HydrophobicContact CB-CG 4.06Å
65	R	97.2	Very high	95	Very high	47 Å²	47	28.8 Å²	28.8	18%	0.177	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.1	-0.3	177.7	-159.5	170.3	-178.8	-179.3	7.8	114.5	T63 K129 L130 K131 Y133	T63-R65 PolarHBondContact O-N 3.02Å; T63-R65 PolarHBondContact OG1-N 3.2Å; R65-K129 HydrophobicContact CG-CG 4.44Å; R65-K129 WeakPolarHBondContact O-CA 3.36Å; R65-L130 HydrophobicContact CG-CB 4.28Å; R65-L130 WeakPolarHBondContact CG-O 3.43Å; R65-L130 PolarHBondContact NE-O 3.26Å; R65-L130 VanDerWaalsContact NE-O 3.07Å; R65-L130 PolarHBondContact O-N 2.78Å; R65-K131 PolarHBondContact NH2-O 3.08Å; R65-Y133 HydrophobicContact CB-CD1 3.95Å; R65-Y133 HydrophobicContact CB-CE1 4.04Å; R65-Y133 HydrophobicContact CG-CD1 4.33Å; R65-Y133 HydrophobicContact CG-CE1 4.33Å; R65-Y133 VanDerWaalsContact NH1-CZ 3.31Å; R65-Y133 PolarHBondContact NH1-OH 3.02Å
66	H	97.5	Very high	95.1	Very high	35 Å²	35	29.6 Å²	29.6	16%	0.162	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135	-175.8	-57.4	92.1	0	0	0	111	L62 T63 I127 I128	L62-H66 HydrophobicContact CB-CB 4.31Å; L62-H66 PolarHBondContact N-O 3.26Å; T63-H66 PolarHBondContact N-O 3.17Å; T63-H66 PolarHBondContact O-N 3.47Å; T63-H66 VanDerWaalsContact OG1-CB 3.3Å; T63-H66 WeakPolarHBondContact OG1-CB 3.36Å; T63-H66 PolarHBondContact OG1-N 2.65Å; T63-H66 VanDerWaalsContact OG1-N 3.08Å; T63-H66 PolarHBondContact OG1-ND1 2.92Å; H66-I127 HydrophobicContact CB-CG2 4.21Å; H66-I128 WeakPolarHBondContact CA-O 3.45Å
67	V	97.4	Very high	95	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.1	176.1	166.9	0	0	0	0	108.3	V40 V60 V89 I127 I128 L130	V40-V67 HydrophobicContact CG1-CG2 4.21Å; V40-V67 HydrophobicContact CG2-CB 4.38Å; V40-V67 HydrophobicContact CG2-CG1 3.43Å; V40-V67 VanDerWaalsContact CG2-CG1 3.43Å; V40-V67 HydrophobicContact CG2-CG2 4.01Å; V60-V67 CarbonylContact O-C 3.6Å; V60-V67 VanDerWaalsContact O-CA 3.29Å; V60-V67 WeakPolarHBondContact O-CA 3.49Å; V67-V89 HydrophobicContact CG2-CG1 4.35Å; V67-I127 CarbonylContact O-C 3.46Å; V67-I127 WeakPolarHBondContact O-CA 3.45Å; V67-I128 HydrophobicContact CB-CB 4.21Å; V67-I128 PolarHBondContact N-O 2.89Å; V67-I128 PolarHBondContact O-N 3.09Å; V67-L130 HydrophobicContact CG2-CD1 4.41Å; V67-L130 HydrophobicContact CG2-CD2 4.37Å
68	L	96.6	Very high	94.9	Very high	36 Å²	36	38.4 Å²	38.4	19%	0.188	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	138.4	169.2	-174.8	68.5	0	0	0	109.7	G59 V60 L62 I125 I127	G59-L68 CarbonylContact C-O 3.51Å; G59-L68 WeakPolarHBondContact CA-O 3.34Å; V60-L68 HydrophobicContact CG2-CB 3.72Å; V60-L68 HydrophobicContact CG2-CD2 4.12Å; V60-L68 HydrophobicContact CG2-CG 4.37Å; V60-L68 PolarHBondContact N-O 3.26Å; V60-L68 PolarHBondContact O-N 2.8Å; L62-L68 HydrophobicContact CD1-CB 3.75Å; L62-L68 HydrophobicContact CD1-CD1 4.27Å; L62-L68 HydrophobicContact CD2-CB 3.95Å; L62-L68 HydrophobicContact CD2-CD2 4.25Å; L62-L68 HydrophobicContact CG-CB 3.67Å; L68-I125 HydrophobicContact CD1-CD1 3.86Å; L68-I125 HydrophobicContact CD1-CG1 3.64Å; L68-I127 HydrophobicContact CD1-CG1 4.17Å
69	T	95.9	Very high	94.7	Very high	12 Å²	12	37.6 Å²	37.6	7%	0.074	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	-178.7	174.7	-170.6	0	0	0	0	109.7	L42 T58 I74 A126 I128	L42-T69 HydrophobicContact CD1-CG2 4.15Å; T58-T69 PolarHBondContact O-OG1 3.32Å; T69-I74 HydrophobicContact CG2-CG2 4.36Å; T69-A126 HydrophobicContact CG2-CB 4.31Å; T69-A126 PolarHBondContact N-O 3.27Å; T69-A126 PolarHBondContact O-N 2.02Å; T69-A126 VanDerWaalsContact O-O 3.07Å; T69-I128 HydrophobicContact CG2-CD1 3.76Å; T69-I128 HydrophobicContact CG2-CG1 4.08Å
70	S	95.8	Very high	94.7	Very high	21 Å²	21	41.5 Å²	41.5	15%	0.147	22%	0.221	C	C	.	.			trans	-79.2	152	172.1	70.9	0	0	0	0	111	H72 C73 D124	S70-H72 VanDerWaalsContact C-N 3.31Å; S70-H72 WeakPolarHBondContact CB-ND1 3.39Å; S70-H72 PolarHBondContact OG-CE1 2.94Å; S70-H72 PolarHBondContact OG-ND1 3.48Å; S70-H72 VanDerWaalsContact OG-ND1 3.09Å; S70-H72 PolarHBondContact OG-NE2 2.99Å; S70-C73 PolarHBondContact O-N 2.76Å; S70-C73 WeakPolarHBondContact OG-CB 3.36Å; S70-C73 PolarHBondContact OG-N 3.17Å; S70-C73 PolarHBondContact OG-SG 3.38Å; S70-D124 WeakPolarHBondContact CA-O 3.25Å; S70-D124 WeakPolarHBondContact CB-OD1 3.29Å
71	A	96.6	Very high	94.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-69.5	-33.2	175.1	0	0	0	0	0	111.5	C73 I74 T75 I113 Y117 D124 A126	A71-C73 PolarHBondContact O-N 2.92Å; A71-I74 WeakPolarHBondContact O-CG1 3.32Å; A71-I74 PolarHBondContact O-N 3.19Å; A71-I74 VanDerWaalsContact O-N 3.14Å; A71-T75 WeakPolarHBondContact O-CG2 3.33Å; A71-T75 PolarHBondContact O-N 2.82Å; A71-T75 PolarHBondContact O-OG1 3.03Å; A71-I113 HydrophobicContact CB-CG2 3.77Å; A71-Y117 HydrophobicContact CB-CD1 3.8Å; A71-Y117 HydrophobicContact CB-CD2 3.46Å; A71-Y117 VanDerWaalsContact CB-CD2 3.46Å; A71-Y117 HydrophobicContact CB-CE1 3.87Å; A71-Y117 HydrophobicContact CB-CE2 3.52Å; A71-Y117 HydrophobicContact CB-CG 3.57Å; A71-D124 PolarHBondContact N-OD1 2.65Å; A71-A126 HydrophobicContact CB-CB 4.27Å
72	H	96	Very high	94.9	Very high	81 Å²	81	45.9 Å²	45.9	38%	0.375	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-62.8	-26.5	177.1	78	-110.7	0	0	0	112.9	S70 I74 T75 Y117 D124	S70-H72 VanDerWaalsContact C-N 3.31Å; S70-H72 WeakPolarHBondContact CB-ND1 3.39Å; S70-H72 PolarHBondContact OG-CE1 2.94Å; S70-H72 PolarHBondContact OG-ND1 3.48Å; S70-H72 VanDerWaalsContact OG-ND1 3.09Å; S70-H72 PolarHBondContact OG-NE2 2.99Å; H72-I74 VanDerWaalsContact C-N 3.27Å; H72-I74 PolarHBondContact O-N 3.14Å; H72-T75 WeakPolarHBondContact CA-OG1 3.29Å; H72-Y117 VanDerWaalsContact CA-OH 3.29Å; H72-Y117 WeakPolarHBondContact CA-OH 3.39Å; H72-Y117 WeakPolarHBondContact CB-OH 3.28Å; H72-Y117 PolarHBondContact N-OH 3.31Å; H72-D124 IonicContact CE1-OD2 3.19Å; H72-D124 PolarHBondContact CE1-OD2 2.97Å; H72-D124 IonicContact CG-OD1 2.89Å; H72-D124 IonicContact CG-OD2 2.69Å; H72-D124 PolarHBondContact N-OD1 2.92Å; H72-D124 IonicContact ND1-OD1 3.3Å; H72-D124 PolarHBondContact ND1-OD1 3.37Å; H72-D124 IonicContact ND1-OD2 3.53Å; H72-D124 PolarHBondContact ND1-OD2 2.8Å
73	C	96.2	Very high	95	Very high	10 Å²	10	47.5 Å²	47.5	7%	0.068	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-69.1	-26.7	177.8	-78.5	0	0	0	0	112.6	L42 F56 C57 S70 A71	L42-C73 HydrophobicContact CD1-CB 4.2Å; F56-C73 HydrophobicContact CE2-CB 4.47Å; F56-C73 WeakPolarHBondContact CE2-O 3.46Å; C57-C73 HydrophobicContact CB-CB 3.63Å; C57-C73 WeakPolarHBondContact CB-SG 3.24Å; C57-C73 VanDerWaalsContact SG-CA 3.57Å; C57-C73 WeakPolarHBondContact SG-CB 3.38Å; C57-C73 CovalentContact SG-SG 2.02Å; C57-C73 PolarHBondContact SG-SG 2.87Å; S70-C73 PolarHBondContact O-N 2.76Å; S70-C73 WeakPolarHBondContact OG-CB 3.36Å; S70-C73 PolarHBondContact OG-N 3.17Å; S70-C73 PolarHBondContact OG-SG 3.38Å; A71-C73 PolarHBondContact O-N 2.92Å
74	I	96.8	Very high	95.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-114.8	11.7	-175.7	63.2	161.3	0	0	0	113	T69 A71 H72 M82 I87 M111 I113 A126 I128	T69-I74 HydrophobicContact CG2-CG2 4.36Å; A71-I74 WeakPolarHBondContact O-CG1 3.32Å; A71-I74 PolarHBondContact O-N 3.19Å; A71-I74 VanDerWaalsContact O-N 3.14Å; H72-I74 VanDerWaalsContact C-N 3.27Å; H72-I74 PolarHBondContact O-N 3.14Å; I74-M82 WeakPolarHBondContact O-CB 3.48Å; I74-M82 PolarHBondContact O-N 3.46Å; I74-I87 HydrophobicContact CG2-CD1 4.23Å; I74-M111 HydrophobicContact CB-CE 4.19Å; I74-M111 HydrophobicContact CB-SD 3.97Å; I74-M111 HydrophobicContact CD1-CB 3.83Å; I74-M111 HydrophobicContact CD1-CE 4.46Å; I74-M111 HydrophobicContact CD1-CG 4.45Å; I74-M111 HydrophobicContact CD1-SD 4.15Å; I74-M111 HydrophobicContact CG2-SD 3.86Å; I74-I113 HydrophobicContact CD1-CD1 4.3Å; I74-I113 HydrophobicContact CD1-CG1 3.65Å; I74-I113 HydrophobicContact CG1-CG1 4.14Å; I74-A126 HydrophobicContact CD1-CB 3.55Å; I74-A126 HydrophobicContact CG1-CB 4.06Å; I74-I128 HydrophobicContact CG2-CD1 4.08Å
75	T	96.3	Very high	95.1	Very high	8 Å²	8	51.8 Å²	51.8	5%	0.049	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-122.8	154.3	177.4	52.9	0	0	0	0	111.3	A71 H72 G79 V80 I113 Y117	A71-T75 WeakPolarHBondContact O-CG2 3.33Å; A71-T75 PolarHBondContact O-N 2.82Å; A71-T75 PolarHBondContact O-OG1 3.03Å; H72-T75 WeakPolarHBondContact CA-OG1 3.29Å; T75-G79 WeakPolarHBondContact CG2-O 3.41Å; T75-V80 CarbonylContact C-O 3.57Å; T75-V80 VanDerWaalsContact CA-O 3.24Å; T75-V80 WeakPolarHBondContact CA-O 3.36Å; T75-I113 HydrophobicContact CG2-CD1 3.33Å; T75-I113 HydrophobicContact CG2-CG1 4.26Å; T75-Y117 HydrophobicContact CG2-CD1 4.5Å; T75-Y117 HydrophobicContact CG2-CE1 3.99Å; T75-Y117 PolarHBondContact OG1-OH 2.8Å
76	D	93.2	Very high	95	Very high	61 Å²	61	57.5 Å²	57.5	33%	0.326	29%	0.291	S	S	.	.			trans	-79.5	-175	172.6	75.8	5.1	0	0	0	112.3	N78 G79 V80 R119	D76-N78 PolarHBondContact O-N 3.25Å; D76-N78 VanDerWaalsContact O-N 3.09Å; D76-N78 WeakPolarHBondContact OD1-CA 3.17Å; D76-N78 WeakPolarHBondContact OD1-CB 3.35Å; D76-N78 PolarHBondContact OD1-N 3.2Å; D76-G79 PolarHBondContact O-N 3.14Å; D76-G79 PolarHBondContact OD1-N 2.84Å; D76-V80 PolarHBondContact N-O 2.83Å; D76-V80 PolarHBondContact OD1-N 3.41Å; D76-R119 VanDerWaalsContact O-CD 3.3Å; D76-R119 WeakPolarHBondContact O-CD 3.3Å; D76-R119 PolarHBondContact O-NE 3.44Å
77	K	90.4	Very high	95	Very high	161 Å²	161	55.9 Å²	55.9	70%	0.7	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.6	179.3	66.2	177.4	-178.1	177.3	0	114.6	R119	K77-R119 WeakPolarHBondContact O-CD 3.23Å; K77-R119 PolarHBondContact O-NH1 3.09Å
78	N	90.9	Very high	94.9	Very high	119 Å²	119	56.3 Å²	56.3	64%	0.636	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	4.5	179.9	-56.9	-39.4	0	0	0	112	D76 V80	D76-N78 PolarHBondContact O-N 3.25Å; D76-N78 VanDerWaalsContact O-N 3.09Å; D76-N78 WeakPolarHBondContact OD1-CA 3.17Å; D76-N78 WeakPolarHBondContact OD1-CB 3.35Å; D76-N78 PolarHBondContact OD1-N 3.2Å; N78-V80 VanDerWaalsContact C-N 3.27Å; N78-V80 HydrophobicContact CB-CG2 4.21Å; N78-V80 PolarHBondContact O-N 2.9Å
79	G	90.1	Very high	94.9	Very high	24 Å²	24	54.6 Å²	54.6	25%	0.247	28%	0.277	C	S	.	.	S	Bend	trans	77.3	11.4	-176.4	0	0	0	0	0	113.7	T75 D76	T75-G79 WeakPolarHBondContact CG2-O 3.41Å; D76-G79 PolarHBondContact O-N 3.14Å; D76-G79 PolarHBondContact OD1-N 2.84Å
80	V	93.4	Very high	94.8	Very high	86 Å²	86	54 Å²	54	52%	0.521	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-82.2	130.5	178.7	-178.9	0	0	0	0	109.5	T75 D76 N78 M82	T75-V80 CarbonylContact C-O 3.57Å; T75-V80 VanDerWaalsContact CA-O 3.24Å; T75-V80 WeakPolarHBondContact CA-O 3.36Å; D76-V80 PolarHBondContact N-O 2.83Å; D76-V80 PolarHBondContact OD1-N 3.41Å; N78-V80 VanDerWaalsContact C-N 3.27Å; N78-V80 HydrophobicContact CB-CG2 4.21Å; N78-V80 PolarHBondContact O-N 2.9Å; V80-M82 PolarHBondContact O-N 2.91Å
81	M	94.5	Very high	94.6	Very high	84 Å²	84	53.1 Å²	53.1	41%	0.414	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-61.5	129.1	-178.8	-168.7	162.9	61	0	0	111.9	M111 I113	M81-M111 HydrophobicContact CG-CE 3.75Å; M81-M111 HydrophobicContact SD-CB 3.79Å; M81-M111 HydrophobicContact SD-CE 4.2Å; M81-I113 HydrophobicContact CB-CD1 3.58Å; M81-I113 HydrophobicContact CG-CD1 3.66Å; M81-I113 HydrophobicContact SD-CD1 3.7Å; M81-I113 HydrophobicContact SD-CG1 4.11Å
82	M	95.5	Very high	94	Very high	50 Å²	50	53.4 Å²	53.4	25%	0.246	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-66.9	155.5	173.9	-65.3	176.1	65.9	0	0	111.1	I74 V80 P84 I87 M111	I74-M82 WeakPolarHBondContact O-CB 3.48Å; I74-M82 PolarHBondContact O-N 3.46Å; V80-M82 PolarHBondContact O-N 2.91Å; M82-P84 WeakPolarHBondContact O-CD 3.41Å; M82-I87 HydrophobicContact CB-CD1 4.15Å; M82-I87 HydrophobicContact CE-CD1 4.22Å; M82-I87 HydrophobicContact CE-CG1 4.32Å; M82-I87 HydrophobicContact SD-CD1 4.23Å; M82-M111 WeakPolarHBondContact O-CE 3.02Å
83	S	96.2	Very high	93.2	Very high	56 Å²	56	49.5 Å²	49.5	39%	0.392	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-65.6	128.9	173.4	179.7	0	0	0	0	110.8	K85 R86	S83-K85 PolarHBondContact O-N 2.81Å; S83-K85 PolarHBondContact OG-N 3.01Å; S83-R86 WeakPolarHBondContact O-CB 3.19Å; S83-R86 PolarHBondContact O-N 3.08Å
84	P	95.6	Very high	92.1	Very high	33 Å²	33	52.9 Å²	52.9	21%	0.214	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-55.7	-24.4	173.6	-24.9	32.2	0	0	0	113.4	M82 R86 I87 I108 M111	M82-P84 WeakPolarHBondContact O-CD 3.41Å; P84-R86 PolarHBondContact O-N 3.13Å; P84-I87 PolarHBondContact O-N 2.94Å; P84-I87 VanDerWaalsContact O-O 3.1Å; P84-I108 HydrophobicContact CB-CB 4.12Å; P84-I108 HydrophobicContact CB-CG2 3.89Å; P84-M111 HydrophobicContact CG-CE 4.04Å; P84-M111 HydrophobicContact CG-CG 4.35Å
85	K	95.8	Very high	90.9	Very high	163 Å²	163	55.5 Å²	55.5	71%	0.709	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-70.6	-14.5	177.4	-65.1	-176.5	-179.9	178.7	0	113	R45 S83	R45-K85 WeakPolarHBondContact CD-O 3.14Å; R45-K85 PolarHBondContact NE-O 2.92Å; S83-K85 PolarHBondContact O-N 2.81Å; S83-K85 PolarHBondContact OG-N 3.01Å
86	R	94.8	Very high	89.6	Confident	166 Å²	166	56 Å²	56	63%	0.626	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-91	-14.4	-179.5	-67.3	-178.6	65.2	175.7	-0.5	113.6	R45 S83 P84	R45-R86 PolarHBondContact N-O 2.87Å; S83-R86 WeakPolarHBondContact O-CB 3.19Å; S83-R86 PolarHBondContact O-N 3.08Å; P84-R86 PolarHBondContact O-N 3.13Å
87	I	96.5	Very high	88.4	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	143.7	-171.9	-53.7	169.9	0	0	0	108.7	R43 F56 I74 M82 P84 I108 M111	R43-I87 WeakPolarHBondContact O-CA 3.35Å; F56-I87 HydrophobicContact CE1-CG1 4.5Å; F56-I87 HydrophobicContact CE1-CG2 4.21Å; F56-I87 HydrophobicContact CZ-CD1 4.22Å; F56-I87 HydrophobicContact CZ-CG1 4.18Å; F56-I87 HydrophobicContact CZ-CG2 3.93Å; I74-I87 HydrophobicContact CG2-CD1 4.23Å; M82-I87 HydrophobicContact CB-CD1 4.15Å; M82-I87 HydrophobicContact CE-CD1 4.22Å; M82-I87 HydrophobicContact CE-CG1 4.32Å; M82-I87 HydrophobicContact SD-CD1 4.23Å; P84-I87 PolarHBondContact O-N 2.94Å; P84-I87 VanDerWaalsContact O-O 3.1Å; I87-I108 HydrophobicContact CB-CD1 3.82Å; I87-I108 HydrophobicContact CG2-CD1 3.71Å; I87-M111 HydrophobicContact CD1-CE 4.41Å; I87-M111 HydrophobicContact CD1-SD 4.18Å
88	V	96.4	Very high	87	Confident	11 Å²	11	55 Å²	55	7%	0.067	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	155	169.5	-64.3	0	0	0	0	109.7	R43 R45 V105	R43-V88 HydrophobicContact CB-CG2 3.98Å; R43-V88 PolarHBondContact N-O 2.79Å; R43-V88 PolarHBondContact O-N 2.95Å; R45-V88 HydrophobicContact CG-CG1 4.07Å; V88-V105 HydrophobicContact CB-CG1 3.51Å; V88-V105 HydrophobicContact CG1-CG1 4.08Å; V88-V105 HydrophobicContact CG2-CG1 3.62Å
89	V	96.7	Very high	85.2	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	115.2	176.9	-177.2	0	0	0	0	108	V40 L42 V67 L91 V105 V106 I108 I128 L130	V40-V89 HydrophobicContact CB-CG1 3.64Å; V40-V89 HydrophobicContact CG1-CG1 4.05Å; V40-V89 HydrophobicContact CG2-CG1 3.74Å; L42-V89 HydrophobicContact CD2-CG2 3.83Å; V67-V89 HydrophobicContact CG2-CG1 4.35Å; V89-L91 HydrophobicContact CG1-CD1 4.25Å; V89-L91 HydrophobicContact CG1-CG 4.43Å; V89-V105 WeakPolarHBondContact O-CA 3.46Å; V89-V106 PolarHBondContact N-O 3.02Å; V89-V106 PolarHBondContact O-N 2.74Å; V89-I108 HydrophobicContact CG2-CD1 4.18Å; V89-I108 HydrophobicContact CG2-CG1 3.97Å; V89-I128 HydrophobicContact CG2-CG2 4.18Å; V89-L130 HydrophobicContact CB-CD2 3.93Å; V89-L130 HydrophobicContact CG1-CD2 4.23Å; V89-L130 HydrophobicContact CG2-CD2 3.71Å
90	A	93.2	Very high	83.7	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	128.7	172.4	0	0	0	0	0	109.9	S41 A93 E103 V105	S41-A90 PolarHBondContact N-O 2.82Å; S41-A90 PolarHBondContact O-N 3.05Å; A90-A93 HydrophobicContact CB-CB 4.47Å; A90-E103 HydrophobicContact CB-CG 4.49Å; A90-V105 HydrophobicContact CB-CG2 4.2Å
91	L	90.9	Very high	82.3	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	156.6	176.6	-59.6	105.8	0	0	0	109.2	V40 I61 V89 A93 F104 V106 V134 L141	V40-L91 HydrophobicContact CG1-CD2 3.74Å; V40-L91 HydrophobicContact CG1-CG 3.9Å; I61-L91 HydrophobicContact CD1-CD2 4.02Å; I61-L91 HydrophobicContact CG1-CD2 4.48Å; V89-L91 HydrophobicContact CG1-CD1 4.25Å; V89-L91 HydrophobicContact CG1-CG 4.43Å; L91-A93 PolarHBondContact O-N 2.86Å; L91-F104 HydrophobicContact CB-CE1 4Å; L91-F104 HydrophobicContact CB-CE2 4.05Å; L91-F104 HydrophobicContact CB-CZ 3.74Å; L91-F104 HydrophobicContact CD1-CD2 4.17Å; L91-F104 HydrophobicContact CD1-CE2 3.67Å; L91-F104 HydrophobicContact CD1-CZ 4.17Å; L91-F104 HydrophobicContact CD2-CZ 4.49Å; L91-F104 HydrophobicContact CG-CE2 4.34Å; L91-F104 HydrophobicContact CG-CZ 4.35Å; L91-F104 PolarHBondContact N-O 3.12Å; L91-F104 PolarHBondContact O-N 3.06Å; L91-V106 HydrophobicContact CD1-CB 4.21Å; L91-V106 HydrophobicContact CD1-CG2 3.56Å; L91-V134 HydrophobicContact CD1-CG2 4.28Å; L91-V134 HydrophobicContact CD2-CG1 4.1Å; L91-V134 HydrophobicContact CD2-CG2 4.23Å; L91-L141 HydrophobicContact CB-CD1 4.25Å; L91-L141 HydrophobicContact CB-CD2 4.07Å; L91-L141 HydrophobicContact CD2-CD1 4.1Å; L91-L141 HydrophobicContact CD2-CD2 4.08Å
92	C	85.7	Confident	81.5	Confident	5 Å²	5	61.8 Å²	61.8	3%	0.034	31%	0.307	C	S	.	.	S	Bend	trans	51.4	36.5	-170.9	-63.3	0	0	0	0	111.3	S94 T98 S101	C92-S94 PolarHBondContact O-N 3.16Å; C92-T98 VanDerWaalsContact C-OG1 3.29Å; C92-T98 PolarHBondContact O-OG1 2.94Å; C92-S101 WeakPolarHBondContact CB-OG 3.22Å; C92-S101 PolarHBondContact SG-OG 3.26Å
93	A	78.7	Confident	81	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.309	C	S	.	.			trans	-65.6	130.8	-171.5	0	0	0	0	0	109.7	A90 L91 L95 F96 T98 E103	A90-A93 HydrophobicContact CB-CB 4.47Å; L91-A93 PolarHBondContact O-N 2.86Å; A93-L95 PolarHBondContact O-N 3.08Å; A93-F96 HydrophobicContact CB-CD2 3.77Å; A93-F96 HydrophobicContact CB-CE2 3.94Å; A93-F96 PolarHBondContact O-N 3.11Å; A93-T98 PolarHBondContact O-OG1 2.74Å; A93-E103 VanDerWaalsContact CA-OE2 3.3Å; A93-E103 WeakPolarHBondContact CA-OE2 3.41Å
94	S	72.5	Confident	80.6	Confident	81 Å²	81	63.4 Å²	63.4	57%	0.566	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-54.3	-31	-179.2	61	0	0	0	0	112.5	C92 F96 K97 E103	C92-S94 PolarHBondContact O-N 3.16Å; S94-F96 PolarHBondContact O-N 2.91Å; S94-F96 VanDerWaalsContact O-N 3.17Å; S94-K97 PolarHBondContact O-N 2.67Å; S94-E103 PolarHBondContact N-OE2 3Å
95	L	71.1	Confident	80.5	Confident	54 Å²	54	65.5 Å²	65.5	28%	0.283	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-52.2	-33.2	173.4	-174.8	67.4	0	0	0	113.4	H55 A93 K97 G162	H55-L95 HydrophobicContact CB-CD2 4.3Å; A93-L95 PolarHBondContact O-N 3.08Å; L95-K97 VanDerWaalsContact C-N 3.32Å; L95-G162 VanDerWaalsContact CD1-O 3.3Å; L95-G162 WeakPolarHBondContact CD1-O 3.46Å
96	F	70.4	Confident	80.5	Confident	18 Å²	18	58.3 Å²	58.3	8%	0.079	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-92.3	10.1	-179.3	-54.2	-52.9	0	0	0	113.6	S36 L39 T58 A93 S94 T98	S36-F96 WeakPolarHBondContact CB-O 3.46Å; S36-F96 PolarHBondContact OG-O 3.08Å; L39-F96 HydrophobicContact CB-CD2 3.95Å; L39-F96 HydrophobicContact CB-CE1 4.43Å; L39-F96 HydrophobicContact CB-CE2 3.84Å; L39-F96 HydrophobicContact CB-CG 4.31Å; L39-F96 HydrophobicContact CB-CZ 4.1Å; L39-F96 HydrophobicContact CD1-CD1 3.84Å; L39-F96 HydrophobicContact CD1-CE1 4Å; L39-F96 HydrophobicContact CD1-CG 4.2Å; L39-F96 HydrophobicContact CD1-CZ 4.47Å; T58-F96 HydrophobicContact CG2-CE1 4.48Å; T58-F96 HydrophobicContact CG2-CZ 4.08Å; A93-F96 HydrophobicContact CB-CD2 3.77Å; A93-F96 HydrophobicContact CB-CE2 3.94Å; A93-F96 PolarHBondContact O-N 3.11Å; S94-F96 PolarHBondContact O-N 2.91Å; S94-F96 VanDerWaalsContact O-N 3.17Å; F96-T98 PolarHBondContact O-N 2.8Å; F96-T98 VanDerWaalsContact O-N 3.09Å
97	K	66.3	Low	80.6	Confident	184 Å²	184	52.8 Å²	52.8	80%	0.8	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	35.8	-178.8	-55.9	-177	-179.9	-179.3	0	112.5	S94 L95 P99	S94-K97 PolarHBondContact O-N 2.67Å; L95-K97 VanDerWaalsContact C-N 3.32Å; K97-P99 VanDerWaalsContact O-CD 3.25Å; K97-P99 WeakPolarHBondContact O-CD 3.47Å
98	T	61.6	Low	80.7	Confident	18 Å²	18	53 Å²	53	11%	0.11	27%	0.273	C	S	.	.			trans	-61.9	114.9	173.5	36	0	0	0	0	108.2	S36 C92 A93 F96	S36-T98 VanDerWaalsContact OG-CG2 3.29Å; S36-T98 WeakPolarHBondContact OG-CG2 3.24Å; C92-T98 VanDerWaalsContact C-OG1 3.29Å; C92-T98 PolarHBondContact O-OG1 2.94Å; A93-T98 PolarHBondContact O-OG1 2.74Å; F96-T98 PolarHBondContact O-N 2.8Å; F96-T98 VanDerWaalsContact O-N 3.09Å
99	P	52.7	Low	80.8	Confident	56 Å²	56	57.6 Å²	57.6	36%	0.364	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	146.6	177.7	26.9	-32.2	0	0	0	109.8	K97 S101	K97-P99 VanDerWaalsContact O-CD 3.25Å; K97-P99 WeakPolarHBondContact O-CD 3.47Å; P99-S101 VanDerWaalsContact C-N 3.26Å; P99-S101 PolarHBondContact O-N 3.32Å
100	E	59.5	Low	80.8	Confident	189 Å²	189	60.8 Å²	60.8	88%	0.883	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	10.9	155	-60.7	170.6	-166.6	0	0	118.1
101	S	63.8	Low	81	Confident	32 Å²	32	61 Å²	61	22%	0.224	31%	0.311	C	S	.	.			trans	-121	139.2	174.1	48.3	0	0	0	0	112.8	C92 P99	C92-S101 WeakPolarHBondContact CB-OG 3.22Å; C92-S101 PolarHBondContact SG-OG 3.26Å; P99-S101 VanDerWaalsContact C-N 3.26Å; P99-S101 PolarHBondContact O-N 3.32Å
102	E	78	Confident	81.3	Confident	178 Å²	178	63.2 Å²	63.2	83%	0.832	32%	0.323	S	S	*	.			trans	-68.4	130.2	170.3	-68	-170.3	159.5	0	0	109.8	F104	E102-F104 PolarHBondContact O-N 3.46Å
103	E	84.9	Confident	81.8	Confident	62 Å²	62	64.9 Å²	64.9	29%	0.29	33%	0.331	S	S	.	.			trans	-61.3	135.8	171.5	-179	-178.6	110.2	0	0	109.6	R43 A90 A93 S94	R43-E103 IonicContact CZ-OE1 2.65Å; R43-E103 IonicContact CZ-OE2 3.8Å; R43-E103 VanDerWaalsContact NH1-CD 3.3Å; R43-E103 IonicContact NH1-OE1 3.37Å; R43-E103 PolarHBondContact NH1-OE1 3.23Å; R43-E103 IonicContact NH1-OE2 3.73Å; R43-E103 PolarHBondContact NH1-OE2 3.27Å; R43-E103 IonicContact NH2-OE1 3.71Å; R43-E103 IonicContact NH2-OE2 3.09Å; R43-E103 PolarHBondContact NH2-OE2 2.95Å; A90-E103 HydrophobicContact CB-CG 4.49Å; A93-E103 VanDerWaalsContact CA-OE2 3.3Å; A93-E103 WeakPolarHBondContact CA-OE2 3.41Å; S94-E103 PolarHBondContact N-OE2 3Å
104	F	87.8	Confident	82.4	Confident	78 Å²	78	67.5 Å²	67.5	34%	0.342	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	147.8	171.6	65.6	-83.9	0	0	0	112.4	L91 E102 V106 V134 L141	L91-F104 HydrophobicContact CB-CE1 4Å; L91-F104 HydrophobicContact CB-CE2 4.05Å; L91-F104 HydrophobicContact CB-CZ 3.74Å; L91-F104 HydrophobicContact CD1-CD2 4.17Å; L91-F104 HydrophobicContact CD1-CE2 3.67Å; L91-F104 HydrophobicContact CD1-CZ 4.17Å; L91-F104 HydrophobicContact CD2-CZ 4.49Å; L91-F104 HydrophobicContact CG-CE2 4.34Å; L91-F104 HydrophobicContact CG-CZ 4.35Å; L91-F104 PolarHBondContact N-O 3.12Å; L91-F104 PolarHBondContact O-N 3.06Å; E102-F104 PolarHBondContact O-N 3.46Å; F104-V106 HydrophobicContact CD2-CG2 3.87Å; F104-V106 HydrophobicContact CE2-CG2 3.93Å; F104-V134 HydrophobicContact CE2-CG1 3.99Å; F104-V134 HydrophobicContact CE2-CG2 4.28Å; F104-V134 HydrophobicContact CZ-CG1 3.67Å; F104-L141 HydrophobicContact CE1-CD1 3.81Å; F104-L141 HydrophobicContact CZ-CD1 3.51Å
105	V	92.8	Very high	83.3	Confident	78 Å²	78	66.1 Å²	66.1	47%	0.473	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.7	-170.6	-178.9	0	0	0	0	110	V88 V89 A90	V88-V105 HydrophobicContact CB-CG1 3.51Å; V88-V105 HydrophobicContact CG1-CG1 4.08Å; V88-V105 HydrophobicContact CG2-CG1 3.62Å; V89-V105 WeakPolarHBondContact O-CA 3.46Å; A90-V105 HydrophobicContact CB-CG2 4.2Å
106	V	96.4	Very high	84.3	Confident	12 Å²	12	69.8 Å²	69.8	7%	0.073	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.8	-178.5	-172.2	0	0	0	0	110.3	V89 L91 F104 L130 R132 V134	V89-V106 PolarHBondContact N-O 3.02Å; V89-V106 PolarHBondContact O-N 2.74Å; L91-V106 HydrophobicContact CD1-CB 4.21Å; L91-V106 HydrophobicContact CD1-CG2 3.56Å; F104-V106 HydrophobicContact CD2-CG2 3.87Å; F104-V106 HydrophobicContact CE2-CG2 3.93Å; V106-L130 HydrophobicContact CG1-CB 3.97Å; V106-L130 HydrophobicContact CG1-CD1 4.45Å; V106-L130 HydrophobicContact CG1-CD2 4.31Å; V106-L130 HydrophobicContact CG1-CG 4.47Å; V106-R132 HydrophobicContact CG1-CB 4.37Å; V106-V134 HydrophobicContact CG2-CG2 4.32Å
107	D	97.9	Very high	85.3	Confident	50 Å²	50	70.1 Å²	70.1	27%	0.267	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	151.1	172.5	-89.6	-9.9	0	0	0	112.4	R45 K131	R45-D107 IonicContact CZ-OD1 2.74Å; R45-D107 VanDerWaalsContact CZ-OD1 3.29Å; R45-D107 IonicContact NH1-OD1 3.49Å; R45-D107 PolarHBondContact NH1-OD1 3.43Å; R45-D107 IonicContact NH2-OD1 3.32Å; R45-D107 PolarHBondContact NH2-OD1 3.29Å; R45-D107 IonicContact NH2-OD2 3.46Å; D107-K131 HydrophobicContact CB-CB 4.14Å; D107-K131 HydrophobicContact CB-CD 3.51Å; D107-K131 HydrophobicContact CB-CG 3.81Å; D107-K131 WeakPolarHBondContact O-CB 3.29Å; D107-K131 PolarHBondContact O-N 2.84Å; D107-K131 IonicContact OD2-NZ 2.82Å; D107-K131 PolarHBondContact OD2-NZ 3.17Å
108	I	98.3	Very high	86.5	Confident	6 Å²	6	65.8 Å²	65.8	3%	0.031	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	131.6	174.2	-58.2	178.5	0	0	0	110.7	P84 I87 V89 N110 M111 I128 K131	P84-I108 HydrophobicContact CB-CB 4.12Å; P84-I108 HydrophobicContact CB-CG2 3.89Å; I87-I108 HydrophobicContact CB-CD1 3.82Å; I87-I108 HydrophobicContact CG2-CD1 3.71Å; V89-I108 HydrophobicContact CG2-CD1 4.18Å; V89-I108 HydrophobicContact CG2-CG1 3.97Å; I108-N110 WeakPolarHBondContact CG2-O 3.47Å; I108-M111 HydrophobicContact CD1-CG 4.5Å; I108-M111 HydrophobicContact CD1-SD 4.01Å; I108-M111 HydrophobicContact CG2-CG 3.64Å; I108-M111 HydrophobicContact CG2-SD 4.39Å; I108-I128 HydrophobicContact CB-CG2 4.3Å; I108-I128 HydrophobicContact CD1-CD1 4.29Å; I108-I128 HydrophobicContact CD1-CG2 3.73Å; I108-I128 HydrophobicContact CG1-CG2 3.69Å; I108-I128 HydrophobicContact CG2-CG2 3.75Å; I108-K131 WeakPolarHBondContact O-CE 3.5Å
109	H	97.8	Very high	87.8	Confident	106 Å²	106	69.4 Å²	69.4	49%	0.491	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-48.9	171	175.3	72.3	0	0	0	111.3	K129 K131	H109-K129 WeakPolarHBondContact CA-O 3.46Å; H109-K129 HydrophobicContact CB-CG 4.46Å; H109-K129 WeakPolarHBondContact CB-O 3.35Å; H109-K129 PolarHBondContact N-O 3.17Å; H109-K131 HydrophobicContact CB-CG 3.9Å
110	N	97	Very high	89.5	Confident	67 Å²	67	73.3 Å²	73.3	36%	0.358	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	158.7	179.7	-168.8	31.8	0	0	0	111.1	I108 K129	I108-N110 WeakPolarHBondContact CG2-O 3.47Å; N110-K129 HydrophobicContact CB-CB 4.38Å; N110-K129 PolarHBondContact N-O 3.35Å; N110-K129 PolarHBondContact O-N 3.2Å
111	M	97.7	Very high	90.9	Very high	4 Å²	4	71.3 Å²	71.3	2%	0.02	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.8	172.2	-55.8	-172	-56.5	0	0	109.1	I74 M81 M82 P84 I87 I108 I127 I128	I74-M111 HydrophobicContact CB-CE 4.19Å; I74-M111 HydrophobicContact CB-SD 3.97Å; I74-M111 HydrophobicContact CD1-CB 3.83Å; I74-M111 HydrophobicContact CD1-CE 4.46Å; I74-M111 HydrophobicContact CD1-CG 4.45Å; I74-M111 HydrophobicContact CD1-SD 4.15Å; I74-M111 HydrophobicContact CG2-SD 3.86Å; M81-M111 HydrophobicContact CG-CE 3.75Å; M81-M111 HydrophobicContact SD-CB 3.79Å; M81-M111 HydrophobicContact SD-CE 4.2Å; M82-M111 WeakPolarHBondContact O-CE 3.02Å; P84-M111 HydrophobicContact CG-CE 4.04Å; P84-M111 HydrophobicContact CG-CG 4.35Å; I87-M111 HydrophobicContact CD1-CE 4.41Å; I87-M111 HydrophobicContact CD1-SD 4.18Å; I108-M111 HydrophobicContact CD1-CG 4.5Å; I108-M111 HydrophobicContact CD1-SD 4.01Å; I108-M111 HydrophobicContact CG2-CG 3.64Å; I108-M111 HydrophobicContact CG2-SD 4.39Å; M111-I127 WeakPolarHBondContact CA-O 3.3Å; M111-I128 HydrophobicContact CG-CG1 4.24Å; M111-I128 HydrophobicContact SD-CG1 4.46Å
112	I	96.6	Very high	92.2	Very high	50 Å²	50	74 Å²	74	26%	0.256	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	114.9	-176.8	-57.2	170.6	0	0	0	107	V14 A126 I127	V14-I112 HydrophobicContact CG1-CD1 4.21Å; V14-I112 HydrophobicContact CG2-CD1 3.85Å; I112-A126 CarbonylContact O-C 3.52Å; I112-A126 VanDerWaalsContact O-CA 3.23Å; I112-A126 WeakPolarHBondContact O-CA 3.23Å; I112-A126 WeakPolarHBondContact O-CB 3.44Å; I112-I127 PolarHBondContact N-O 3.03Å; I112-I127 PolarHBondContact O-N 3.26Å
113	I	95.2	Very high	92.8	Very high	39 Å²	39	68.7 Å²	68.7	20%	0.2	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	147.1	175	-63.9	159.7	0	0	0	108.8	A71 I74 T75 M81 Y117 A126	A71-I113 HydrophobicContact CB-CG2 3.77Å; I74-I113 HydrophobicContact CD1-CD1 4.3Å; I74-I113 HydrophobicContact CD1-CG1 3.65Å; I74-I113 HydrophobicContact CG1-CG1 4.14Å; T75-I113 HydrophobicContact CG2-CD1 3.33Å; T75-I113 HydrophobicContact CG2-CG1 4.26Å; M81-I113 HydrophobicContact CB-CD1 3.58Å; M81-I113 HydrophobicContact CG-CD1 3.66Å; M81-I113 HydrophobicContact SD-CD1 3.7Å; M81-I113 HydrophobicContact SD-CG1 4.11Å; I113-Y117 HydrophobicContact CG2-CD1 3.74Å; I113-Y117 HydrophobicContact CG2-CG 3.84Å; I113-A126 HydrophobicContact CG1-CB 4.39Å
114	H	91.7	Very high	93.3	Very high	56 Å²	56	69.1 Å²	69.1	26%	0.259	34%	0.337	S	S	.	.			trans	-55.4	132.5	171.9	-169.3	-86.5	0	0	0	111	Y116 Y117 N123 I125	H114-Y116 AromaticContact CE1-CD2 3.76Å; H114-Y116 PolarHBondContact ND1-N 2.98Å; H114-Y116 VanDerWaalsContact ND1-N 3.19Å; H114-Y116 PolarHBondContact O-N 3.18Å; H114-Y116 VanDerWaalsContact O-N 3.14Å; H114-Y117 WeakPolarHBondContact O-CB 3.11Å; H114-Y117 PolarHBondContact O-N 3.03Å; H114-N123 HydrophobicContact CB-CB 4.26Å; H114-N123 VanDerWaalsContact ND1-CB 3.29Å; H114-N123 WeakPolarHBondContact ND1-CB 3.33Å; H114-I125 HydrophobicContact CB-CG2 3.59Å; H114-I125 WeakPolarHBondContact CB-O 3.05Å; H114-I125 PolarHBondContact N-O 2.98Å
115	P	91.3	Very high	93.6	Very high	52 Å²	52	68.9 Å²	68.9	34%	0.338	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-24.8	-170.2	27.1	-38.1	0	0	0	114.2	L7 I11	L7-P115 HydrophobicContact CD2-CB 3.31Å; L7-P115 HydrophobicContact CD2-CG 4.11Å; L7-P115 HydrophobicContact CG-CB 4.14Å; I11-P115 HydrophobicContact CD1-CG 4.03Å
116	Y	93.2	Very high	93.8	Very high	130 Å²	130	65.3 Å²	65.3	51%	0.51	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	19.6	175.2	-54.3	-63.1	0	0	0	112.4	H114 H118 H122 N123	H114-Y116 AromaticContact CE1-CD2 3.76Å; H114-Y116 PolarHBondContact ND1-N 2.98Å; H114-Y116 VanDerWaalsContact ND1-N 3.19Å; H114-Y116 PolarHBondContact O-N 3.18Å; H114-Y116 VanDerWaalsContact O-N 3.14Å; Y116-H118 PolarHBondContact O-N 2.93Å; Y116-H118 PolarHBondContact O-ND1 3.42Å; Y116-H118 VanDerWaalsContact O-ND1 3.08Å; Y116-H122 PolarHBondContact O-CE1 3.38Å; Y116-H122 PolarHBondContact O-ND1 2.87Å; Y116-N123 WeakPolarHBondContact CB-ND2 3.41Å; Y116-N123 PolarHBondContact O-ND2 3.08Å
117	Y	91.6	Very high	93.8	Very high	25 Å²	25	65.8 Å²	65.8	10%	0.098	32%	0.319	C	S	.	.			trans	-60.8	126.6	174.5	172.1	-118.7	0	0	0	110.6	A71 H72 T75 I113 H114 R119 N123 D124	A71-Y117 HydrophobicContact CB-CD1 3.8Å; A71-Y117 HydrophobicContact CB-CD2 3.46Å; A71-Y117 VanDerWaalsContact CB-CD2 3.46Å; A71-Y117 HydrophobicContact CB-CE1 3.87Å; A71-Y117 HydrophobicContact CB-CE2 3.52Å; A71-Y117 HydrophobicContact CB-CG 3.57Å; H72-Y117 VanDerWaalsContact CA-OH 3.29Å; H72-Y117 WeakPolarHBondContact CA-OH 3.39Å; H72-Y117 WeakPolarHBondContact CB-OH 3.28Å; H72-Y117 PolarHBondContact N-OH 3.31Å; T75-Y117 HydrophobicContact CG2-CD1 4.5Å; T75-Y117 HydrophobicContact CG2-CE1 3.99Å; T75-Y117 PolarHBondContact OG1-OH 2.8Å; I113-Y117 HydrophobicContact CG2-CD1 3.74Å; I113-Y117 HydrophobicContact CG2-CG 3.84Å; H114-Y117 WeakPolarHBondContact O-CB 3.11Å; H114-Y117 PolarHBondContact O-N 3.03Å; Y117-R119 HydrophobicContact CE1-CB 4.27Å; Y117-R119 WeakPolarHBondContact OH-CG 3.24Å; Y117-N123 WeakPolarHBondContact CD2-O 3.38Å; Y117-D124 HydrophobicContact CD2-CB 4.45Å; Y117-D124 HydrophobicContact CE2-CB 4.1Å
118	H	90.7	Very high	93.9	Very high	94 Å²	94	63.4 Å²	63.4	44%	0.435	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-128.4	121.6	168.9	-72.2	68.4	0	0	0	107.9	Y116 N120 Q121 H122	Y116-H118 PolarHBondContact O-N 2.93Å; Y116-H118 PolarHBondContact O-ND1 3.42Å; Y116-H118 VanDerWaalsContact O-ND1 3.08Å; H118-N120 PolarHBondContact O-N 3.26Å; H118-Q121 HydrophobicContact CB-CB 3.89Å; H118-Q121 HydrophobicContact CB-CG 4.41Å; H118-Q121 VanDerWaalsContact CB-OE1 3.25Å; H118-Q121 PolarHBondContact O-N 3.35Å; H118-H122 AromaticContact CE1-CE1 3.99Å; H118-H122 AromaticContact CG-CE1 3.74Å; H118-H122 PolarHBondContact N-O 3.02Å; H118-H122 VanDerWaalsContact N-O 3.1Å; H118-H122 AromaticContact ND1-CE1 3.18Å; H118-H122 PolarHBondContact ND1-CE1 3.44Å; H118-H122 AromaticContact ND1-ND1 3.89Å; H118-H122 AromaticContact ND1-NE2 3.98Å; H118-H122 PolarHBondContact O-N 3.1Å
119	R	89.8	Confident	93.9	Very high	93 Å²	93	66.2 Å²	66.2	35%	0.351	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	132.3	-174	-171.7	163.5	-168	-84.9	-7.4	110.4	D76 K77 Y117 Q121	D76-R119 VanDerWaalsContact O-CD 3.3Å; D76-R119 WeakPolarHBondContact O-CD 3.3Å; D76-R119 PolarHBondContact O-NE 3.44Å; K77-R119 WeakPolarHBondContact O-CD 3.23Å; K77-R119 PolarHBondContact O-NH1 3.09Å; Y117-R119 HydrophobicContact CE1-CB 4.27Å; Y117-R119 WeakPolarHBondContact OH-CG 3.24Å; R119-Q121 PolarHBondContact O-N 3.2Å
120	N	87.6	Confident	93.9	Very high	139 Å²	139	61.3 Å²	61.3	74%	0.743	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	15.9	-177.1	-49.9	-29	0	0	0	115.1	H118	H118-N120 PolarHBondContact O-N 3.26Å
121	Q	89	Confident	93.9	Very high	146 Å²	146	62.8 Å²	62.8	68%	0.682	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.8	-76.1	177.9	-66.9	-177.4	-20.9	0	0	110.8	H118 R119	H118-Q121 HydrophobicContact CB-CB 3.89Å; H118-Q121 HydrophobicContact CB-CG 4.41Å; H118-Q121 VanDerWaalsContact CB-OE1 3.25Å; H118-Q121 PolarHBondContact O-N 3.35Å; R119-Q121 PolarHBondContact O-N 3.2Å
122	H	90.8	Very high	93.9	Very high	89 Å²	89	72 Å²	72	41%	0.412	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-151.3	163.5	-172	58.5	52.7	0	0	0	113.4	Y116 H118	Y116-H122 PolarHBondContact O-CE1 3.38Å; Y116-H122 PolarHBondContact O-ND1 2.87Å; H118-H122 AromaticContact CE1-CE1 3.99Å; H118-H122 AromaticContact CG-CE1 3.74Å; H118-H122 PolarHBondContact N-O 3.02Å; H118-H122 VanDerWaalsContact N-O 3.1Å; H118-H122 AromaticContact ND1-CE1 3.18Å; H118-H122 PolarHBondContact ND1-CE1 3.44Å; H118-H122 AromaticContact ND1-ND1 3.89Å; H118-H122 AromaticContact ND1-NE2 3.98Å; H118-H122 PolarHBondContact O-N 3.1Å
123	N	91.4	Very high	93.8	Very high	66 Å²	66	76.8 Å²	76.8	35%	0.353	35%	0.349	S	S	.	.			trans	58.7	44	176.4	-53	-48.9	0	0	0	113.9	H114 Y116 Y117 I125	H114-N123 HydrophobicContact CB-CB 4.26Å; H114-N123 VanDerWaalsContact ND1-CB 3.29Å; H114-N123 WeakPolarHBondContact ND1-CB 3.33Å; Y116-N123 WeakPolarHBondContact CB-ND2 3.41Å; Y116-N123 PolarHBondContact O-ND2 3.08Å; Y117-N123 WeakPolarHBondContact CD2-O 3.38Å; N123-I125 PolarHBondContact O-N 3.49Å
124	D	94.7	Very high	93.7	Very high	71 Å²	71	75.4 Å²	75.4	38%	0.38	34%	0.342	S	S	.	.			trans	-77.1	65.1	-179	-172.9	23.6	0	0	0	112.4	S70 A71 H72 Y117	S70-D124 WeakPolarHBondContact CA-O 3.25Å; S70-D124 WeakPolarHBondContact CB-OD1 3.29Å; A71-D124 PolarHBondContact N-OD1 2.65Å; H72-D124 IonicContact CE1-OD2 3.19Å; H72-D124 PolarHBondContact CE1-OD2 2.97Å; H72-D124 IonicContact CG-OD1 2.89Å; H72-D124 IonicContact CG-OD2 2.69Å; H72-D124 PolarHBondContact N-OD1 2.92Å; H72-D124 IonicContact ND1-OD1 3.3Å; H72-D124 PolarHBondContact ND1-OD1 3.37Å; H72-D124 IonicContact ND1-OD2 3.53Å; H72-D124 PolarHBondContact ND1-OD2 2.8Å; Y117-D124 HydrophobicContact CD2-CB 4.45Å; Y117-D124 HydrophobicContact CE2-CB 4.1Å
125	I	95.1	Very high	93.7	Very high	74 Å²	74	81.3 Å²	81.3	38%	0.379	37%	0.368	S	S	.	.			trans	-140.4	137.2	-173.9	-171.5	172.2	0	0	0	110.7	L68 H114 N123	L68-I125 HydrophobicContact CD1-CD1 3.86Å; L68-I125 HydrophobicContact CD1-CG1 3.64Å; H114-I125 HydrophobicContact CB-CG2 3.59Å; H114-I125 WeakPolarHBondContact CB-O 3.05Å; H114-I125 PolarHBondContact N-O 2.98Å; N123-I125 PolarHBondContact O-N 3.49Å
126	A	95.9	Very high	93.6	Very high	2 Å²	2	81.4 Å²	81.4	2%	0.017	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	153.8	179.1	0	0	0	0	0	112.2	T69 A71 I74 I112 I113	T69-A126 HydrophobicContact CG2-CB 4.31Å; T69-A126 PolarHBondContact N-O 3.27Å; T69-A126 PolarHBondContact O-N 2.02Å; T69-A126 VanDerWaalsContact O-O 3.07Å; A71-A126 HydrophobicContact CB-CB 4.27Å; I74-A126 HydrophobicContact CD1-CB 3.55Å; I74-A126 HydrophobicContact CG1-CB 4.06Å; I112-A126 CarbonylContact O-C 3.52Å; I112-A126 VanDerWaalsContact O-CA 3.23Å; I112-A126 WeakPolarHBondContact O-CA 3.23Å; I112-A126 WeakPolarHBondContact O-CB 3.44Å; I113-A126 HydrophobicContact CG1-CB 4.39Å
127	I	97.7	Very high	93.2	Very high	22 Å²	22	78.4 Å²	78.4	11%	0.113	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	130	176.1	-61.1	175.4	0	0	0	109.3	V14 L15 L62 H66 V67 L68 M111 I112	V14-I127 HydrophobicContact CG1-CD1 4.42Å; L15-I127 HydrophobicContact CD2-CD1 4.22Å; L62-I127 HydrophobicContact CD1-CD1 4.43Å; L62-I127 HydrophobicContact CD1-CG1 4.42Å; H66-I127 HydrophobicContact CB-CG2 4.21Å; V67-I127 CarbonylContact O-C 3.46Å; V67-I127 WeakPolarHBondContact O-CA 3.45Å; L68-I127 HydrophobicContact CD1-CG1 4.17Å; M111-I127 WeakPolarHBondContact CA-O 3.3Å; I112-I127 PolarHBondContact N-O 3.03Å; I112-I127 PolarHBondContact O-N 3.26Å
128	I	98.3	Very high	92.7	Very high	0 Å²	0	79.6 Å²	79.6	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.9	172.7	-64	173.1	0	0	0	108.3	L42 H66 V67 T69 I74 V89 I108 M111 L130	L42-I128 HydrophobicContact CD1-CD1 3.95Å; L42-I128 HydrophobicContact CD2-CD1 3.66Å; L42-I128 HydrophobicContact CG-CD1 4.49Å; H66-I128 WeakPolarHBondContact CA-O 3.45Å; V67-I128 HydrophobicContact CB-CB 4.21Å; V67-I128 PolarHBondContact N-O 2.89Å; V67-I128 PolarHBondContact O-N 3.09Å; T69-I128 HydrophobicContact CG2-CD1 3.76Å; T69-I128 HydrophobicContact CG2-CG1 4.08Å; I74-I128 HydrophobicContact CG2-CD1 4.08Å; V89-I128 HydrophobicContact CG2-CG2 4.18Å; I108-I128 HydrophobicContact CB-CG2 4.3Å; I108-I128 HydrophobicContact CD1-CD1 4.29Å; I108-I128 HydrophobicContact CD1-CG2 3.73Å; I108-I128 HydrophobicContact CG1-CG2 3.69Å; I108-I128 HydrophobicContact CG2-CG2 3.75Å; M111-I128 HydrophobicContact CG-CG1 4.24Å; M111-I128 HydrophobicContact SD-CG1 4.46Å; I128-L130 HydrophobicContact CG2-CD2 4.3Å
129	K	98.1	Very high	92.2	Very high	66 Å²	66	81.3 Å²	81.3	29%	0.287	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	120.9	172.1	-177.1	170.3	174.6	-176.7	0	109.8	R65 H109 N110	R65-K129 HydrophobicContact CG-CG 4.44Å; R65-K129 WeakPolarHBondContact O-CA 3.36Å; H109-K129 WeakPolarHBondContact CA-O 3.46Å; H109-K129 HydrophobicContact CB-CG 4.46Å; H109-K129 WeakPolarHBondContact CB-O 3.35Å; H109-K129 PolarHBondContact N-O 3.17Å; N110-K129 HydrophobicContact CB-CB 4.38Å; N110-K129 PolarHBondContact N-O 3.35Å; N110-K129 PolarHBondContact O-N 3.2Å
130	L	98.1	Very high	91.8	Very high	3 Å²	3	79.7 Å²	79.7	2%	0.016	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	147.3	-179.1	-56.5	-179.8	0	0	0	111.6	R65 V67 V89 V106 I128 R132 V134	R65-L130 HydrophobicContact CG-CB 4.28Å; R65-L130 WeakPolarHBondContact CG-O 3.43Å; R65-L130 PolarHBondContact NE-O 3.26Å; R65-L130 VanDerWaalsContact NE-O 3.07Å; R65-L130 PolarHBondContact O-N 2.78Å; V67-L130 HydrophobicContact CG2-CD1 4.41Å; V67-L130 HydrophobicContact CG2-CD2 4.37Å; V89-L130 HydrophobicContact CB-CD2 3.93Å; V89-L130 HydrophobicContact CG1-CD2 4.23Å; V89-L130 HydrophobicContact CG2-CD2 3.71Å; V106-L130 HydrophobicContact CG1-CB 3.97Å; V106-L130 HydrophobicContact CG1-CD1 4.45Å; V106-L130 HydrophobicContact CG1-CD2 4.31Å; V106-L130 HydrophobicContact CG1-CG 4.47Å; I128-L130 HydrophobicContact CG2-CD2 4.3Å; L130-R132 WeakPolarHBondContact CB-O 3.41Å; L130-V134 HydrophobicContact CD1-CG2 3.7Å
131	K	97.8	Very high	91.8	Very high	98 Å²	98	73.3 Å²	73.3	43%	0.426	35%	0.347	S	S	.	.	S	Bend	trans	-64.1	-40.8	174	-76.8	-162.9	-168.2	161	0	112.2	R65 D107 I108 H109	R65-K131 PolarHBondContact NH2-O 3.08Å; D107-K131 HydrophobicContact CB-CB 4.14Å; D107-K131 HydrophobicContact CB-CD 3.51Å; D107-K131 HydrophobicContact CB-CG 3.81Å; D107-K131 WeakPolarHBondContact O-CB 3.29Å; D107-K131 PolarHBondContact O-N 2.84Å; D107-K131 IonicContact OD2-NZ 2.82Å; D107-K131 PolarHBondContact OD2-NZ 3.17Å; I108-K131 WeakPolarHBondContact O-CE 3.5Å; H109-K131 HydrophobicContact CB-CG 3.9Å
132	R	96.5	Very high	91.8	Very high	196 Å²	196	66.7 Å²	66.7	74%	0.74	32%	0.318	S	S	*	.	S	Bend	trans	-113.7	152.9	-178.4	-59.3	-176.2	-172.9	-176.9	1.7	110.3	V106 L130	V106-R132 HydrophobicContact CG1-CB 4.37Å; L130-R132 WeakPolarHBondContact CB-O 3.41Å
133	Y	95.7	Very high	91.7	Very high	151 Å²	151	65.1 Å²	65.1	59%	0.592	32%	0.316	S	S	*	.			trans	-73.5	143	169.2	-68.2	-89.3	0	0	0	109.5	N64 R65	N64-Y133 CarbonylContact O-C 3.59Å; N64-Y133 WeakPolarHBondContact O-CA 3.41Å; N64-Y133 WeakPolarHBondContact OD1-CD1 2.93Å; R65-Y133 HydrophobicContact CB-CD1 3.95Å; R65-Y133 HydrophobicContact CB-CE1 4.04Å; R65-Y133 HydrophobicContact CG-CD1 4.33Å; R65-Y133 HydrophobicContact CG-CE1 4.33Å; R65-Y133 VanDerWaalsContact NH1-CZ 3.31Å; R65-Y133 PolarHBondContact NH1-OH 3.02Å
134	V	92.6	Very high	91.5	Very high	10 Å²	10	63.9 Å²	63.9	6%	0.061	31%	0.31	C	S	.	.			trans	-104.5	138	176.7	180	0	0	0	0	109.3	N64 L91 F104 V106 L130 L136 L141	N64-V134 VanDerWaalsContact CB-O 3.29Å; N64-V134 WeakPolarHBondContact CB-O 3.29Å; N64-V134 PolarHBondContact O-N 3.36Å; L91-V134 HydrophobicContact CD1-CG2 4.28Å; L91-V134 HydrophobicContact CD2-CG1 4.1Å; L91-V134 HydrophobicContact CD2-CG2 4.23Å; F104-V134 HydrophobicContact CE2-CG1 3.99Å; F104-V134 HydrophobicContact CE2-CG2 4.28Å; F104-V134 HydrophobicContact CZ-CG1 3.67Å; V106-V134 HydrophobicContact CG2-CG2 4.32Å; L130-V134 HydrophobicContact CD1-CG2 3.7Å; V134-L136 HydrophobicContact CG1-CD2 4.38Å; V134-L136 PolarHBondContact O-N 3.36Å; V134-L141 HydrophobicContact CG1-CD1 3.5Å
135	K	91.2	Very high	91	Very high	181 Å²	181	65.8 Å²	65.8	79%	0.787	32%	0.324	S	S	*	.			trans	-76.1	116.8	173.4	-174.7	176.7	178	-173.9	0	108.8
136	L	89.3	Confident	90.3	Very high	54 Å²	54	66 Å²	66	28%	0.283	33%	0.326	S	S	.	.			trans	-96.4	116.8	173.7	-55.3	179.4	0	0	0	107.4	I61 N64 V134 L141 P143	I61-L136 HydrophobicContact CD1-CD2 4.47Å; I61-L136 HydrophobicContact CG2-CD1 4.43Å; I61-L136 HydrophobicContact CG2-CD2 4.02Å; N64-L136 HydrophobicContact CB-CD1 3.89Å; N64-L136 HydrophobicContact CB-CG 4.06Å; V134-L136 HydrophobicContact CG1-CD2 4.38Å; V134-L136 PolarHBondContact O-N 3.36Å; L136-L141 HydrophobicContact CD2-CB 3.85Å; L136-P143 HydrophobicContact CD1-CB 4.21Å; L136-P143 HydrophobicContact CD1-CG 4.04Å
137	D	85.5	Confident	89.3	Confident	67 Å²	67	69.3 Å²	69.3	36%	0.358	36%	0.36	S	S	.	.			trans	-105.7	-5.9	-178.9	61.2	8.6	0	0	0	112.7	H139 H140 L141	D137-H139 PolarHBondContact O-CD2 3.47Å; D137-H139 VanDerWaalsContact O-CD2 3.32Å; D137-H139 PolarHBondContact O-N 2.86Å; D137-H139 PolarHBondContact OD1-N 3.09Å; D137-H140 PolarHBondContact OD1-N 2.98Å; D137-H140 IonicContact OD2-CE1 3.86Å; D137-H140 IonicContact OD2-CG 2.73Å; D137-H140 IonicContact OD2-ND1 3.29Å; D137-H140 PolarHBondContact OD2-ND1 3.27Å; D137-L141 PolarHBondContact N-O 3.2Å; D137-L141 PolarHBondContact OD1-N 2.99Å; D137-L141 VanDerWaalsContact OD1-N 3.08Å
138	G	81.6	Confident	88	Confident	50 Å²	50	75 Å²	75	52%	0.515	39%	0.39	S	S	.	.	S	Bend	trans	76.2	-4.6	-178.1	0	0	0	0	0	114.3	L141	G138-L141 PolarHBondContact N-O 3.44Å
139	H	80	Confident	86.7	Confident	130 Å²	130	79 Å²	79	60%	0.602	42%	0.418	S	S	*	.	S	Bend	trans	-110.6	-53.3	-178.3	-68.6	-76.3	0	0	0	111.7	S37 D137	S37-H139 PolarHBondContact OG-O 3.33Å; D137-H139 PolarHBondContact O-CD2 3.47Å; D137-H139 VanDerWaalsContact O-CD2 3.32Å; D137-H139 PolarHBondContact O-N 2.86Å; D137-H139 PolarHBondContact OD1-N 3.09Å
140	H	81.9	Confident	85.5	Confident	58 Å²	58	81 Å²	81	27%	0.269	44%	0.441	S	S	.	.	S	Bend	trans	-96.3	-33.3	177.4	-54.1	101.9	0	0	0	111.3	S37 D137	S37-H140 VanDerWaalsContact CA-O 3.25Å; S37-H140 WeakPolarHBondContact CA-O 3.48Å; S37-H140 WeakPolarHBondContact CB-O 3.19Å; D137-H140 PolarHBondContact OD1-N 2.98Å; D137-H140 IonicContact OD2-CE1 3.86Å; D137-H140 IonicContact OD2-CG 2.73Å; D137-H140 IonicContact OD2-ND1 3.29Å; D137-H140 PolarHBondContact OD2-ND1 3.27Å
141	L	87.3	Confident	84.4	Confident	5 Å²	5	87.1 Å²	87.1	3%	0.026	47%	0.473	C	S	.	.			trans	-137.2	124.2	178.6	-63.6	174.7	0	0	0	111	S37 I61 L91 F104 V134 L136 D137 G138	S37-L141 WeakPolarHBondContact O-CA 3.3Å; I61-L141 HydrophobicContact CD1-CB 4.27Å; I61-L141 HydrophobicContact CD1-CD2 3.76Å; L91-L141 HydrophobicContact CB-CD1 4.25Å; L91-L141 HydrophobicContact CB-CD2 4.07Å; L91-L141 HydrophobicContact CD2-CD1 4.1Å; L91-L141 HydrophobicContact CD2-CD2 4.08Å; F104-L141 HydrophobicContact CE1-CD1 3.81Å; F104-L141 HydrophobicContact CZ-CD1 3.51Å; V134-L141 HydrophobicContact CG1-CD1 3.5Å; L136-L141 HydrophobicContact CD2-CB 3.85Å; D137-L141 PolarHBondContact N-O 3.2Å; D137-L141 PolarHBondContact OD1-N 2.99Å; D137-L141 VanDerWaalsContact OD1-N 3.08Å; G138-L141 PolarHBondContact N-O 3.44Å
142	A	88.7	Confident	83.3	Confident	8 Å²	8	88.9 Å²	88.9	7%	0.066	48%	0.483	C	S	.	.			trans	-136.2	144.1	-179.5	0	0	0	0	0	110.3	S37 Y38	S37-A142 PolarHBondContact O-N 3.23Å; Y38-A142 HydrophobicContact CD1-CB 3.88Å; Y38-A142 VanDerWaalsContact CD1-O 3.24Å; Y38-A142 WeakPolarHBondContact CD1-O 3.4Å; Y38-A142 HydrophobicContact CE1-CB 3.48Å; Y38-A142 VanDerWaalsContact CE1-CB 3.48Å
143	P	89.6	Confident	82.4	Confident	55 Å²	55	83.6 Å²	83.6	36%	0.357	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-81.2	144.9	172.8	33.3	-29.3	0	0	0	110.7	Y38 I61 L136	Y38-P143 WeakPolarHBondContact CE1-O 3.25Å; I61-P143 HydrophobicContact CG2-CB 4.25Å; I61-P143 CarbonylContact O-C 3.5Å; I61-P143 VanDerWaalsContact O-CA 3.28Å; I61-P143 WeakPolarHBondContact O-CA 3.35Å; L136-P143 HydrophobicContact CD1-CB 4.21Å; L136-P143 HydrophobicContact CD1-CG 4.04Å
144	V	87.2	Confident	81.3	Confident	40 Å²	40	78.1 Å²	78.1	24%	0.242	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-74.6	149.1	169.1	-58.9	0	0	0	0	110.6	Y38 V60 I61 L62	Y38-V144 HydrophobicContact CD1-CG1 3.65Å; Y38-V144 HydrophobicContact CG-CG1 3.86Å; V60-V144 HydrophobicContact CB-CG1 4.05Å; V60-V144 HydrophobicContact CB-CG2 4.37Å; V60-V144 HydrophobicContact CG2-CG1 4.41Å; V60-V144 HydrophobicContact CG2-CG2 3.91Å; I61-V144 WeakPolarHBondContact O-CG2 3.3Å; I61-V144 PolarHBondContact O-N 3.25Å; L62-V144 HydrophobicContact CD2-CG2 3.86Å
145	V	83.1	Confident	80.6	Confident	112 Å²	112	81.4 Å²	81.4	68%	0.679	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-94.5	130.5	171.2	-178	0	0	0	0	108.6
146	L	79.8	Confident	79.9	Confident	79 Å²	79	78.6 Å²	78.6	41%	0.414	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-81.1	126.4	173.4	-61.4	179.5	0	0	0	109.3	I19 L62	I19-L146 HydrophobicContact CD1-CD1 4.44Å; L62-L146 HydrophobicContact CD2-CD1 4.31Å; L62-L146 HydrophobicContact CD2-CD2 3.9Å; L62-L146 HydrophobicContact CD2-CG 4.22Å
147	G	76.3	Confident	79.3	Confident	71 Å²	71	78 Å²	78	73%	0.732	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-66.7	144.4	172.8	0	0	0	0	0	111.3
148	N	68.8	Low	79	Confident	140 Å²	140	79.7 Å²	79.7	75%	0.749	48%	0.477	S	S	*	.			trans	-106.7	-3	174.9	69.7	-2.1	0	0	0	113
149	S	71.8	Confident	78.8	Confident	84 Å²	84	80.6 Å²	80.6	59%	0.587	47%	0.472	S	S	*	.	S	Bend	trans	-108.7	153.7	-176.6	59.5	0	0	0	0	110.9	L151	S149-L151 PolarHBondContact O-N 3.14Å
150	S	72.4	Confident	78.6	Confident	110 Å²	110	76.9 Å²	76.9	77%	0.769	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-57.3	134	163.8	46.8	0	0	0	0	109.5
151	L	75.3	Confident	78	Confident	130 Å²	130	75.1 Å²	75.1	68%	0.681	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-72.3	132	172.8	-67	175.4	0	0	0	109	S149 I172	S149-L151 PolarHBondContact O-N 3.14Å; L151-I172 HydrophobicContact CB-CD1 3.82Å; L151-I172 HydrophobicContact CB-CG1 4.33Å; L151-I172 HydrophobicContact CB-CG2 4.2Å; L151-I172 HydrophobicContact CD1-CD1 4.19Å; L151-I172 HydrophobicContact CD1-CG1 4.34Å; L151-I172 HydrophobicContact CD2-CD1 4.3Å; L151-I172 HydrophobicContact CG-CD1 4.33Å
152	E	75.4	Confident	76.7	Confident	135 Å²	135	75.6 Å²	75.6	63%	0.631	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-80.4	135	176.8	-63.8	179.6	170.5	0	0	110.5	N155	E152-N155 WeakPolarHBondContact O-CB 3.47Å; E152-N155 PolarHBondContact O-N 3.3Å
153	V	76.8	Confident	75	Confident	85 Å²	85	81.7 Å²	81.7	52%	0.515	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	138	177.8	-179.2	0	0	0	0	109.6	N155 I172 V174	V153-N155 VanDerWaalsContact C-N 3.33Å; V153-I172 WeakPolarHBondContact CG1-O 3.47Å; V153-V174 HydrophobicContact CG2-CG2 3.42Å; V153-V174 VanDerWaalsContact CG2-CG2 3.42Å
154	G	73.3	Confident	73	Confident	36 Å²	36	87.6 Å²	87.6	37%	0.371	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	89	-8.5	179.5	0	0	0	0	0	114.8	I172	G154-I172 PolarHBondContact N-O 3.3Å; G154-I172 VanDerWaalsContact N-O 3.08Å
155	N	78.4	Confident	71.2	Confident	79 Å²	79	87.7 Å²	87.7	42%	0.422	52%	0.519	S	S	.	.			trans	-67.7	140.7	168.9	-75.7	-6.1	0	0	0	111	E152 V153 I172	E152-N155 WeakPolarHBondContact O-CB 3.47Å; E152-N155 PolarHBondContact O-N 3.3Å; V153-N155 VanDerWaalsContact C-N 3.33Å; N155-I172 HydrophobicContact CB-CD1 3.83Å; N155-I172 PolarHBondContact O-N 2.69Å
156	D	76.6	Confident	69.5	Low	122 Å²	122	84.1 Å²	84.1	65%	0.652	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	134.5	179.3	-66.5	-35.4	0	0	0	110.9	K171	D156-K171 WeakPolarHBondContact OD1-CE 3.48Å
157	C	76.6	Confident	68	Low	42 Å²	42	87 Å²	87	28%	0.284	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	141.5	173.5	-72.3	0	0	0	0	110.4	A170 I172	C157-A170 WeakPolarHBondContact CA-O 3.44Å; C157-A170 HydrophobicContact CB-CB 4.2Å; C157-A170 WeakPolarHBondContact CB-O 3.35Å; C157-A170 PolarHBondContact N-O 2.81Å; C157-I172 WeakPolarHBondContact SG-CD1 3.49Å; C157-I172 WeakPolarHBondContact SG-CG1 3.42Å
158	K	79	Confident	66.8	Low	102 Å²	102	87.7 Å²	87.7	44%	0.443	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	130.9	174.1	-60.5	-175.6	-178	178.3	0	108.6	E29 L35 V168	E29-K158 IonicContact OE1-NZ 3.54Å; E29-K158 IonicContact OE2-NZ 2.92Å; E29-K158 PolarHBondContact OE2-NZ 2.78Å; E29-K158 VanDerWaalsContact OE2-NZ 3.09Å; L35-K158 HydrophobicContact CD1-CD 4.23Å; K158-V168 HydrophobicContact CG-CG2 4.33Å
159	T	76.6	Confident	65.9	Low	69 Å²	69	87.5 Å²	87.5	42%	0.423	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	144.5	174.6	61.8	0	0	0	0	109.7	V166 R167 A170	T159-V166 CarbonylContact O-C 3.54Å; T159-V166 WeakPolarHBondContact O-CA 3.36Å; T159-R167 PolarHBondContact N-O 2.83Å; T159-R167 VanDerWaalsContact N-O 3.09Å; T159-R167 PolarHBondContact O-N 3.48Å; T159-R167 PolarHBondContact OG1-O 3.43Å; T159-R167 VanDerWaalsContact OG1-O 3.05Å; T159-A170 HydrophobicContact CG2-CB 3.95Å
160	I	76.6	Confident	65	Low	53 Å²	53	85.2 Å²	85.2	27%	0.272	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	131.6	-175.6	-44.3	179.6	0	0	0	109.3	L35 L39 V166	L35-I160 HydrophobicContact CB-CD1 3.12Å; L35-I160 HydrophobicContact CD1-CD1 3.66Å; L35-I160 HydrophobicContact CG-CD1 3.94Å; L39-I160 HydrophobicContact CD1-CB 4.01Å; L39-I160 HydrophobicContact CD1-CG2 3.58Å; I160-V166 HydrophobicContact CB-CG2 4.44Å; I160-V166 HydrophobicContact CD1-CG2 3.95Å; I160-V166 HydrophobicContact CG1-CB 4.3Å; I160-V166 HydrophobicContact CG1-CG1 4.09Å; I160-V166 HydrophobicContact CG1-CG2 3.87Å; I160-V166 HydrophobicContact CG2-CG2 3.91Å
161	G	69	Low	64.2	Low	21 Å²	21	84.9 Å²	84.9	22%	0.216	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	152.9	177.1	0	0	0	0	0	111.7	I163 F164 G165	G161-I163 VanDerWaalsContact C-N 3.28Å; G161-I163 PolarHBondContact O-N 3.09Å; G161-F164 PolarHBondContact O-N 3.38Å; G161-G165 PolarHBondContact N-O 3.47Å; G161-G165 PolarHBondContact O-N 3.05Å; G161-G165 VanDerWaalsContact O-N 3.14Å
162	G	58.9	Low	63.3	Low	14 Å²	14	80.1 Å²	80.1	14%	0.144	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.4	-173.2	0	0	0	0	0	115.3	L95	L95-G162 VanDerWaalsContact CD1-O 3.3Å; L95-G162 WeakPolarHBondContact CD1-O 3.46Å
163	I	54.8	Low	61.3	Low	136 Å²	136	83 Å²	83	70%	0.697	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-23.4	178.6	-71.8	170.6	0	0	0	112.4	G161	G161-I163 VanDerWaalsContact C-N 3.28Å; G161-I163 PolarHBondContact O-N 3.09Å
164	F	45.7	Very low	59.3	Low	179 Å²	179	83.9 Å²	83.9	79%	0.785	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-2.4	-167.7	-65.2	-73.8	0	0	0	114.9	G161	G161-F164 PolarHBondContact O-N 3.38Å
165	G	50.4	Low	57.4	Low	42 Å²	42	90.4 Å²	90.4	43%	0.433	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	66.2	-162.1	-172.5	0	0	0	0	0	112.2	G161	G161-G165 PolarHBondContact N-O 3.47Å; G161-G165 PolarHBondContact O-N 3.05Å; G161-G165 VanDerWaalsContact O-N 3.14Å
166	V	48.3	Very low	55.1	Low	38 Å²	38	94.9 Å²	94.9	23%	0.23	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	124.1	174.3	-178.5	0	0	0	0	108.5	Y32 L35 T159 I160	Y32-V166 HydrophobicContact CD1-CB 4.13Å; Y32-V166 HydrophobicContact CD1-CG2 4.14Å; Y32-V166 HydrophobicContact CE1-CB 4.42Å; L35-V166 HydrophobicContact CD1-CG1 4.3Å; L35-V166 HydrophobicContact CD1-CG2 4.45Å; T159-V166 CarbonylContact O-C 3.54Å; T159-V166 WeakPolarHBondContact O-CA 3.36Å; I160-V166 HydrophobicContact CB-CG2 4.44Å; I160-V166 HydrophobicContact CD1-CG2 3.95Å; I160-V166 HydrophobicContact CG1-CB 4.3Å; I160-V166 HydrophobicContact CG1-CG1 4.09Å; I160-V166 HydrophobicContact CG1-CG2 3.87Å; I160-V166 HydrophobicContact CG2-CG2 3.91Å
167	R	47.2	Very low	54	Low	140 Å²	140	93.5 Å²	93.5	53%	0.528	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	120.5	174.4	-161	173.8	-176.2	-171.7	-5.4	110.1	T159 E169	T159-R167 PolarHBondContact N-O 2.83Å; T159-R167 VanDerWaalsContact N-O 3.09Å; T159-R167 PolarHBondContact O-N 3.48Å; T159-R167 PolarHBondContact OG1-O 3.43Å; T159-R167 VanDerWaalsContact OG1-O 3.05Å; R167-E169 HydrophobicContact CG-CB 4.19Å; R167-E169 HydrophobicContact CG-CG 4.08Å; R167-E169 IonicContact CZ-OE1 2.65Å; R167-E169 IonicContact CZ-OE2 3.62Å; R167-E169 IonicContact NE-OE1 3.11Å; R167-E169 PolarHBondContact NE-OE1 3.18Å; R167-E169 IonicContact NE-OE2 3.59Å; R167-E169 PolarHBondContact NE-OE2 3.18Å; R167-E169 VanDerWaalsContact NE-OE2 3.11Å; R167-E169 IonicContact NH2-OE1 2.76Å; R167-E169 PolarHBondContact NH2-OE1 3.18Å; R167-E169 IonicContact NH2-OE2 3.83Å; R167-E169 PolarHBondContact NH2-OE2 3.08Å; R167-E169 PolarHBondContact O-N 3.09Å
168	V	50.1	Low	52.8	Low	84 Å²	84	96.2 Å²	96.2	51%	0.509	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	72.8	175.7	-171.8	0	0	0	0	108.3	K158	K158-V168 HydrophobicContact CG-CG2 4.33Å
169	E	50.2	Low	51.4	Low	136 Å²	136	95.9 Å²	95.9	64%	0.636	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.6	2.7	179.2	-72.4	-179	-139	0	0	113.4	R167	R167-E169 HydrophobicContact CG-CB 4.19Å; R167-E169 HydrophobicContact CG-CG 4.08Å; R167-E169 IonicContact CZ-OE1 2.65Å; R167-E169 IonicContact CZ-OE2 3.62Å; R167-E169 IonicContact NE-OE1 3.11Å; R167-E169 PolarHBondContact NE-OE1 3.18Å; R167-E169 IonicContact NE-OE2 3.59Å; R167-E169 PolarHBondContact NE-OE2 3.18Å; R167-E169 VanDerWaalsContact NE-OE2 3.11Å; R167-E169 IonicContact NH2-OE1 2.76Å; R167-E169 PolarHBondContact NH2-OE1 3.18Å; R167-E169 IonicContact NH2-OE2 3.83Å; R167-E169 PolarHBondContact NH2-OE2 3.08Å; R167-E169 PolarHBondContact O-N 3.09Å
170	A	54.1	Low	49.9	Very low	36 Å²	36	97.5 Å²	97.5	30%	0.298	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	115.8	-179.4	0	0	0	0	0	109.9	C157 T159	C157-A170 WeakPolarHBondContact CA-O 3.44Å; C157-A170 HydrophobicContact CB-CB 4.2Å; C157-A170 WeakPolarHBondContact CB-O 3.35Å; C157-A170 PolarHBondContact N-O 2.81Å; T159-A170 HydrophobicContact CG2-CB 3.95Å
171	K	54.8	Low	48.2	Very low	104 Å²	104	100.3 Å²	100.3	45%	0.452	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	147.9	161.2	-72.7	-172.4	174.3	-169.1	0	109.4	D156 W173	D156-K171 WeakPolarHBondContact OD1-CE 3.48Å; K171-W173 HydrophobicContact CB-CZ2 4.3Å; K171-W173 HydrophobicContact CD-CZ2 4.39Å; K171-W173 PolarHBondContact O-N 2.89Å
172	I	57.6	Low	46.9	Very low	30 Å²	30	105.5 Å²	105.5	15%	0.154	56%	0.555	C	S	.	*			trans	-65.6	116.3	167.7	-69.7	144.3	0	0	0	107.7	L151 V153 G154 N155 C157	L151-I172 HydrophobicContact CB-CD1 3.82Å; L151-I172 HydrophobicContact CB-CG1 4.33Å; L151-I172 HydrophobicContact CB-CG2 4.2Å; L151-I172 HydrophobicContact CD1-CD1 4.19Å; L151-I172 HydrophobicContact CD1-CG1 4.34Å; L151-I172 HydrophobicContact CD2-CD1 4.3Å; L151-I172 HydrophobicContact CG-CD1 4.33Å; V153-I172 WeakPolarHBondContact CG1-O 3.47Å; G154-I172 PolarHBondContact N-O 3.3Å; G154-I172 VanDerWaalsContact N-O 3.08Å; N155-I172 HydrophobicContact CB-CD1 3.83Å; N155-I172 PolarHBondContact O-N 2.69Å; C157-I172 WeakPolarHBondContact SG-CD1 3.49Å; C157-I172 WeakPolarHBondContact SG-CG1 3.42Å
173	W	33.5	Very low	46	Very low	194 Å²	194	112.1 Å²	112.1	74%	0.735	59%	0.585	S	S	*	*			trans	-116.3	142.4	172.5	-62.8	102.6	0	0	0	108.9	K171	K171-W173 HydrophobicContact CB-CZ2 4.3Å; K171-W173 HydrophobicContact CD-CZ2 4.39Å; K171-W173 PolarHBondContact O-N 2.89Å
174	V	33.9	Very low	45.3	Very low	105 Å²	105	110.2 Å²	110.2	64%	0.636	58%	0.576	S	S	*	*			trans	-82.8	123.4	166	-171.4	0	0	0	0	106.8	V153 S176	V153-V174 HydrophobicContact CG2-CG2 3.42Å; V153-V174 VanDerWaalsContact CG2-CG2 3.42Å; V174-S176 PolarHBondContact O-N 3.11Å
175	I	32.3	Very low	45.3	Very low	172 Å²	172	104.5 Å²	104.5	88%	0.882	56%	0.559	S	S	*	*			trans	-79.2	97.5	167.2	-45	172.3	0	0	0	105.2
176	S	31.1	Very low	44.8	Very low	173 Å²	173	110.2 Å²	110.2	100%	1.21	57%	0.57	S	S	*	*			trans	-82.3	0	172.2	56.3	0	0	0	0	111.2	V174	V174-S176 PolarHBondContact O-N 3.11Å

Retrieved 176 of 176 residues in 125.8 ms (Link to these results)

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