A0A077ZDC6_TRITR Loading...

PH domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDC6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 192 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	38.5	Very low	63.1	Low	221 Å²	221	95.8 Å²	95.8	100%	1.089	55%	0.55	S	S	*	*				0	41.4	0	-71.3	150.4	81.6	0	0	110.8
2	S	54.9	Low	65.7	Low	79 Å²	79	92.8 Å²	92.8	55%	0.552	55%	0.546	S	S	*	.			trans	-110.1	-14.1	-166.3	37.2	0	0	0	0	115.2	N6	S2-N6 PolarHBondContact O-ND2 3.1Å; S2-N6 VanDerWaalsContact O-ND2 3.12Å
3	N	52.5	Low	68.1	Low	120 Å²	120	89.5 Å²	89.5	64%	0.642	52%	0.52	S	S	*	.	H	α-helix	trans	-85.1	-38.7	-174.8	-70.9	-12.9	0	0	0	112.9	N6 L7	N3-N6 PolarHBondContact O-N 3.14Å; N3-L7 WeakPolarHBondContact O-CG 3.13Å; N3-L7 PolarHBondContact O-N 3.16Å
4	S	53.1	Low	70.1	Confident	82 Å²	82	86.9 Å²	86.9	57%	0.573	51%	0.508	S	S	*	.	H	α-helix	trans	-64.9	-41.6	-178.7	-40.1	0	0	0	0	112.2	L7 S8	S4-L7 PolarHBondContact O-N 2.95Å; S4-S8 PolarHBondContact O-N 3.18Å
5	D	55.7	Low	71.9	Confident	109 Å²	109	81.9 Å²	81.9	58%	0.583	48%	0.483	S	S	*	.	H	α-helix	trans	-67.6	-38.3	179.4	-65.6	-18.7	0	0	0	111.2	S8 S9	D5-S8 PolarHBondContact O-N 3.49Å; D5-S8 PolarHBondContact O-OG 2.73Å; D5-S9 PolarHBondContact O-N 2.64Å
6	N	56.3	Low	73.4	Confident	112 Å²	112	80.8 Å²	80.8	60%	0.599	48%	0.481	S	S	*	.	H	α-helix	trans	-63.9	-44	174.7	-78.3	-22.1	0	0	0	111.8	S2 N3 S8 S9 A10	S2-N6 PolarHBondContact O-ND2 3.1Å; S2-N6 VanDerWaalsContact O-ND2 3.12Å; N3-N6 PolarHBondContact O-N 3.14Å; N6-S8 VanDerWaalsContact C-N 3.32Å; N6-S8 PolarHBondContact O-N 2.7Å; N6-S9 CarbonylContact O-C 3.51Å; N6-S9 PolarHBondContact O-N 2.81Å; N6-S9 VanDerWaalsContact O-N 3.16Å; N6-A10 PolarHBondContact O-N 2.92Å
7	L	56.3	Low	74.9	Confident	95 Å²	95	76.2 Å²	76.2	50%	0.497	45%	0.453	S	S	.	.	H	α-helix	trans	-65.6	-34.4	176.9	-70.4	172.3	0	0	0	112.4	N3 S4 S9 A10	N3-L7 WeakPolarHBondContact O-CG 3.13Å; N3-L7 PolarHBondContact O-N 3.16Å; S4-L7 PolarHBondContact O-N 2.95Å; L7-S9 PolarHBondContact O-N 3.35Å; L7-A10 PolarHBondContact O-N 2.81Å; L7-A10 VanDerWaalsContact O-N 3.16Å
8	S	65.5	Low	76.1	Confident	46 Å²	46	75.3 Å²	75.3	32%	0.322	44%	0.444	S	S	.	.	H	α-helix	trans	-62.4	-23.9	175.7	79	0	0	0	0	113.1	S4 D5 N6 N37	S4-S8 PolarHBondContact O-N 3.18Å; D5-S8 PolarHBondContact O-N 3.49Å; D5-S8 PolarHBondContact O-OG 2.73Å; N6-S8 VanDerWaalsContact C-N 3.32Å; N6-S8 PolarHBondContact O-N 2.7Å; S8-N37 PolarHBondContact O-ND2 2.66Å
9	S	76.7	Confident	77.2	Confident	76 Å²	76	73.6 Å²	73.6	53%	0.531	43%	0.429	S	S	.	.	H	α-helix	trans	-105.6	-5.5	178.1	-57	0	0	0	0	113.4	D5 N6 L7 I11	D5-S9 PolarHBondContact O-N 2.64Å; N6-S9 CarbonylContact O-C 3.51Å; N6-S9 PolarHBondContact O-N 2.81Å; N6-S9 VanDerWaalsContact O-N 3.16Å; L7-S9 PolarHBondContact O-N 3.35Å; S9-I11 PolarHBondContact O-N 2.9Å
10	A	91	Very high	78.1	Confident	25 Å²	25	71.7 Å²	71.7	21%	0.207	42%	0.416	C	S	.	.			trans	-70.9	130.3	-178.9	0	0	0	0	0	110.4	N6 L7 Y35 Q36	N6-A10 PolarHBondContact O-N 2.92Å; L7-A10 PolarHBondContact O-N 2.81Å; L7-A10 VanDerWaalsContact O-N 3.16Å; A10-Y35 CarbonylContact O-C 3.54Å; A10-Y35 VanDerWaalsContact O-CA 3.31Å; A10-Y35 WeakPolarHBondContact O-CA 3.13Å; A10-Q36 HydrophobicContact CB-CB 4.26Å; A10-Q36 VanDerWaalsContact CB-CD 3.48Å; A10-Q36 HydrophobicContact CB-CG 3.96Å; A10-Q36 VanDerWaalsContact CB-OE1 3.3Å; A10-Q36 PolarHBondContact O-N 2.75Å
11	I	93.8	Very high	78.9	Confident	89 Å²	89	69.1 Å²	69.1	46%	0.456	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128.7	-179.3	-61.7	172.4	0	0	0	108.5	S9 C14 V33 Y35	S9-I11 PolarHBondContact O-N 2.9Å; I11-C14 HydrophobicContact CG2-CB 3.96Å; I11-V33 HydrophobicContact CD1-CG1 4.2Å; I11-V33 HydrophobicContact CG1-CG1 3.97Å; I11-V33 HydrophobicContact CG2-CG1 4.1Å; I11-Y35 HydrophobicContact CG1-CD1 4.29Å; I11-Y35 HydrophobicContact CG1-CE1 4.18Å
12	A	94.8	Very high	81.2	Confident	60 Å²	60	63.8 Å²	63.8	50%	0.496	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-45.5	171.2	0	0	0	0	0	111.1	L34 Q36	A12-L34 HydrophobicContact CB-CD2 4.42Å; A12-L34 HydrophobicContact CB-CG 4.29Å; A12-L34 PolarHBondContact N-O 2.8Å; A12-Q36 HydrophobicContact CB-CG 4.03Å
13	K	96.5	Very high	82.9	Confident	49 Å²	49	67.6 Å²	67.6	21%	0.213	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	140.5	174.1	-176.8	172.8	165.7	75.7	0	109.7	L34 D102 W106 A109	K13-L34 PolarHBondContact N-O 2.67Å; K13-L34 PolarHBondContact O-N 2.78Å; K13-D102 IonicContact NZ-OD1 2.79Å; K13-D102 PolarHBondContact NZ-OD1 2.94Å; K13-W106 HydrophobicContact CB-CH2 4.38Å; K13-W106 HydrophobicContact CB-CZ3 4.3Å; K13-W106 HydrophobicContact CD-CD2 4.02Å; K13-W106 HydrophobicContact CD-CE3 4.06Å; K13-W106 HydrophobicContact CD-CH2 4.4Å; K13-W106 HydrophobicContact CD-CZ2 4.35Å; K13-W106 HydrophobicContact CD-CZ3 4.26Å; K13-W106 VanDerWaalsContact CE-CD2 3.47Å; K13-W106 HydrophobicContact CG-CE3 4.42Å; K13-W106 HydrophobicContact CG-CH2 3.93Å; K13-W106 HydrophobicContact CG-CZ2 4.08Å; K13-W106 HydrophobicContact CG-CZ3 4.1Å; K13-A109 HydrophobicContact CD-CB 4.32Å
14	C	96.4	Very high	84.7	Confident	53 Å²	53	67.7 Å²	67.7	36%	0.358	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	155.7	169.2	57.4	0	0	0	0	109.9	I11 W31 L32 V33	I11-C14 HydrophobicContact CG2-CB 3.96Å; C14-W31 HydrophobicContact CB-CZ2 3.71Å; C14-L32 CarbonylContact C-O 3.45Å; C14-L32 WeakPolarHBondContact CA-O 3.29Å; C14-V33 HydrophobicContact CB-CB 4.48Å; C14-V33 HydrophobicContact CB-CG1 4.37Å; C14-V33 HydrophobicContact CB-CG2 4.06Å
15	G	96.8	Very high	86.6	Confident	12 Å²	12	73 Å²	73	12%	0.124	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	160.5	179.5	0	0	0	0	0	113.6	L32	G15-L32 PolarHBondContact N-O 2.86Å; G15-L32 PolarHBondContact O-N 3.37Å
16	S	96.5	Very high	88.4	Confident	64 Å²	64	75.6 Å²	75.6	45%	0.448	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	133.3	174.3	-179	0	0	0	0	109.5	C30 W31	S16-C30 WeakPolarHBondContact CA-O 3.31Å; S16-W31 VanDerWaalsContact N-CZ3 3.27Å
17	L	97.3	Very high	90.3	Very high	3 Å²	3	72.6 Å²	72.6	2%	0.016	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	168.2	178	-64.3	173.8	0	0	0	109.2	P29 C30 L32 F84 F95 A97 W106	L17-P29 CarbonylContact O-C 3.49Å; L17-P29 WeakPolarHBondContact O-CA 3.27Å; L17-C30 PolarHBondContact N-O 3.05Å; L17-C30 PolarHBondContact O-N 3.12Å; L17-C30 VanDerWaalsContact O-O 3.11Å; L17-C30 PolarHBondContact O-SG 2.81Å; L17-C30 VanDerWaalsContact O-SG 3.4Å; L17-L32 HydrophobicContact CD1-CB 3.81Å; L17-L32 HydrophobicContact CD1-CD2 3.47Å; L17-L32 VanDerWaalsContact CD1-CD2 3.47Å; L17-L32 HydrophobicContact CD1-CG 4.28Å; L17-F84 HydrophobicContact CD1-CE1 4.29Å; L17-F84 HydrophobicContact CD1-CZ 3.8Å; L17-F84 HydrophobicContact CD2-CE1 4.46Å; L17-F95 HydrophobicContact CD1-CB 4.36Å; L17-F95 HydrophobicContact CD1-CD1 4.25Å; L17-F95 HydrophobicContact CD1-CG 4.45Å; L17-A97 HydrophobicContact CD2-CB 3.89Å; L17-W106 HydrophobicContact CD1-CD2 4.44Å; L17-W106 HydrophobicContact CD1-CZ2 4.29Å
18	Q	97.2	Very high	92.2	Very high	60 Å²	60	72.9 Å²	72.9	28%	0.28	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128	164.8	-63.1	-176.4	-42.7	0	0	109.4	W27 K28 P75 F95 C96	Q18-W27 HydrophobicContact CB-CE3 4.08Å; Q18-W27 WeakPolarHBondContact O-CZ3 3.33Å; Q18-K28 CarbonylContact C-O 3.6Å; Q18-K28 WeakPolarHBondContact CA-O 3.34Å; Q18-P75 HydrophobicContact CB-CG 4.33Å; Q18-F95 CarbonylContact O-C 3.57Å; Q18-F95 WeakPolarHBondContact O-CA 3.36Å; Q18-C96 HydrophobicContact CB-CB 4.28Å; Q18-C96 PolarHBondContact N-O 2.79Å; Q18-C96 PolarHBondContact O-N 2.8Å
19	R	96.7	Very high	93.7	Very high	44 Å²	44	74.3 Å²	74.3	17%	0.166	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	150.8	173.9	65.5	177.6	-179.2	99.2	-1.6	111.5	W27 K28 C30 L52 Y94 F95	R19-W27 VanDerWaalsContact C-CE3 3.43Å; R19-W27 CarbonylContact O-C 3.4Å; R19-W27 WeakPolarHBondContact O-CA 3.42Å; R19-K28 PolarHBondContact N-O 3.38Å; R19-K28 PolarHBondContact O-N 3.04Å; R19-C30 HydrophobicContact CB-CB 4.25Å; R19-C30 HydrophobicContact CG-CB 3.81Å; R19-L52 VanDerWaalsContact CZ-CD1 3.44Å; R19-L52 VanDerWaalsContact NH2-CD1 3.34Å; R19-Y94 WeakPolarHBondContact CA-O 3.32Å; R19-F95 HydrophobicContact CB-CD1 3.99Å; R19-F95 HydrophobicContact CB-CE1 4.04Å
20	Q	96.6	Very high	94.7	Very high	34 Å²	34	70.8 Å²	70.8	16%	0.159	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	130.9	167.4	-163.4	178.7	29.2	0	0	111	R25 R26 W27 V72 Y94	Q20-R25 WeakPolarHBondContact CG-O 3.18Å; Q20-R25 PolarHBondContact NE2-O 2.75Å; Q20-R26 CarbonylContact C-O 3.59Å; Q20-R26 WeakPolarHBondContact CA-O 3.42Å; Q20-W27 HydrophobicContact CB-CD2 4.44Å; Q20-W27 HydrophobicContact CB-CE3 4.25Å; Q20-W27 HydrophobicContact CB-CH2 4.23Å; Q20-W27 HydrophobicContact CB-CZ2 4.44Å; Q20-W27 HydrophobicContact CB-CZ3 4.14Å; Q20-V72 VanDerWaalsContact CD-CG1 3.49Å; Q20-Y94 PolarHBondContact N-O 3.13Å; Q20-Y94 VanDerWaalsContact OE1-CD2 3.24Å
21	T	93.9	Very high	95	Very high	18 Å²	18	72 Å²	72	11%	0.11	37%	0.368	C	S	.	.			trans	-73.9	140.6	173.4	62.3	0	0	0	0	111	L23 R25 R26 K28	T21-L23 PolarHBondContact O-N 2.77Å; T21-R25 WeakPolarHBondContact O-CA 3.15Å; T21-R25 PolarHBondContact O-N 3.02Å; T21-R25 VanDerWaalsContact O-N 3.11Å; T21-R25 PolarHBondContact OG1-N 2.88Å; T21-R26 PolarHBondContact N-O 3.17Å; T21-R26 PolarHBondContact OG1-N 2.77Å; T21-R26 VanDerWaalsContact OG1-N 3.1Å; T21-R26 PolarHBondContact OG1-O 2.75Å; T21-K28 HydrophobicContact CG2-CB 4.43Å; T21-K28 HydrophobicContact CG2-CD 3.8Å; T21-K28 HydrophobicContact CG2-CG 3.92Å
22	S	87.8	Confident	95.2	Very high	110 Å²	110	67.8 Å²	67.8	77%	0.769	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-39	179.8	51	0	0	0	0	113.9
23	L	89.1	Confident	95.3	Very high	159 Å²	159	65.1 Å²	65.1	83%	0.832	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-57.9	-173.5	-60.5	178.3	0	0	0	113	T21	T21-L23 PolarHBondContact O-N 2.77Å
24	L	91	Very high	95.3	Very high	121 Å²	121	62.9 Å²	62.9	63%	0.634	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	0.6	-173.8	-64.8	177.2	0	0	0	113.6	R26	L24-R26 HydrophobicContact CB-CG 4.11Å; L24-R26 PolarHBondContact O-N 2.83Å
25	R	91.8	Very high	95.2	Very high	193 Å²	193	61.6 Å²	61.6	73%	0.728	30%	0.302	S	S	*	.			trans	53	20.4	-178.7	-63	-173.6	-177.7	-157.7	1.3	115.1	Q20 T21	Q20-R25 WeakPolarHBondContact CG-O 3.18Å; Q20-R25 PolarHBondContact NE2-O 2.75Å; T21-R25 WeakPolarHBondContact O-CA 3.15Å; T21-R25 PolarHBondContact O-N 3.02Å; T21-R25 VanDerWaalsContact O-N 3.11Å; T21-R25 PolarHBondContact OG1-N 2.88Å
26	R	94.3	Very high	95	Very high	165 Å²	165	65.6 Å²	65.6	62%	0.623	32%	0.318	S	S	*	.			trans	-82.5	152.7	176.4	-64.5	-176.1	-174	-174.4	1.5	110.8	Q20 T21 L24	Q20-R26 CarbonylContact C-O 3.59Å; Q20-R26 WeakPolarHBondContact CA-O 3.42Å; T21-R26 PolarHBondContact N-O 3.17Å; T21-R26 PolarHBondContact OG1-N 2.77Å; T21-R26 VanDerWaalsContact OG1-N 3.1Å; T21-R26 PolarHBondContact OG1-O 2.75Å; L24-R26 HydrophobicContact CB-CG 4.11Å; L24-R26 PolarHBondContact O-N 2.83Å
27	W	96.7	Very high	94.7	Very high	49 Å²	49	65 Å²	65	19%	0.186	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	130	172	-67	100.8	0	0	0	110.2	Q18 R19 Q20 V72 A73 P75 L83 C96	Q18-W27 HydrophobicContact CB-CE3 4.08Å; Q18-W27 WeakPolarHBondContact O-CZ3 3.33Å; R19-W27 VanDerWaalsContact C-CE3 3.43Å; R19-W27 CarbonylContact O-C 3.4Å; R19-W27 WeakPolarHBondContact O-CA 3.42Å; Q20-W27 HydrophobicContact CB-CD2 4.44Å; Q20-W27 HydrophobicContact CB-CE3 4.25Å; Q20-W27 HydrophobicContact CB-CH2 4.23Å; Q20-W27 HydrophobicContact CB-CZ2 4.44Å; Q20-W27 HydrophobicContact CB-CZ3 4.14Å; W27-V72 HydrophobicContact CZ2-CG1 3.81Å; W27-A73 WeakPolarHBondContact CZ2-O 3.12Å; W27-A73 PolarHBondContact NE1-O 2.75Å; W27-P75 HydrophobicContact CB-CB 4.17Å; W27-P75 HydrophobicContact CB-CG 4.16Å; W27-P75 HydrophobicContact CD2-CB 4.39Å; W27-P75 HydrophobicContact CD2-CG 3.58Å; W27-P75 HydrophobicContact CE3-CG 3.92Å; W27-P75 HydrophobicContact CG-CB 3.96Å; W27-P75 HydrophobicContact CG-CG 3.68Å; W27-L83 HydrophobicContact CH2-CD2 3.42Å; W27-L83 VanDerWaalsContact CH2-CD2 3.42Å; W27-L83 HydrophobicContact CZ2-CD2 3.67Å; W27-L83 HydrophobicContact CZ3-CD2 4.36Å; W27-C96 HydrophobicContact CE3-CB 4.36Å; W27-C96 HydrophobicContact CH2-CB 4.32Å; W27-C96 HydrophobicContact CZ3-CB 3.96Å
28	K	96.2	Very high	94.5	Very high	101 Å²	101	64.9 Å²	64.9	44%	0.439	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	148.7	175.7	-73.9	-165.8	173.2	-167.4	0	109.8	Q18 R19 T21	Q18-K28 CarbonylContact C-O 3.6Å; Q18-K28 WeakPolarHBondContact CA-O 3.34Å; R19-K28 PolarHBondContact N-O 3.38Å; R19-K28 PolarHBondContact O-N 3.04Å; T21-K28 HydrophobicContact CG2-CB 4.43Å; T21-K28 HydrophobicContact CG2-CD 3.8Å; T21-K28 HydrophobicContact CG2-CG 3.92Å
29	P	96.5	Very high	94.4	Very high	75 Å²	75	65.1 Å²	65.1	49%	0.487	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	150.3	170.3	28.1	-34.5	0	0	0	110.5	L17	L17-P29 CarbonylContact O-C 3.49Å; L17-P29 WeakPolarHBondContact O-CA 3.27Å
30	C	97	Very high	94.3	Very high	3 Å²	3	63 Å²	63	2%	0.02	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	157.9	171	64.9	0	0	0	0	110.3	S16 L17 R19 I42 Y43 E44	S16-C30 WeakPolarHBondContact CA-O 3.31Å; L17-C30 PolarHBondContact N-O 3.05Å; L17-C30 PolarHBondContact O-N 3.12Å; L17-C30 VanDerWaalsContact O-O 3.11Å; L17-C30 PolarHBondContact O-SG 2.81Å; L17-C30 VanDerWaalsContact O-SG 3.4Å; R19-C30 HydrophobicContact CB-CB 4.25Å; R19-C30 HydrophobicContact CG-CB 3.81Å; C30-I42 HydrophobicContact CB-CG2 3.99Å; C30-Y43 WeakPolarHBondContact CA-O 3.48Å; C30-Y43 WeakPolarHBondContact CB-O 3.49Å; C30-E44 WeakPolarHBondContact CA-O 3.43Å
31	W	97.7	Very high	94.3	Very high	50 Å²	50	61.4 Å²	61.4	19%	0.189	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	115.6	171.1	-175.8	-106.9	0	0	0	109.3	C14 S16 V33 Y43 E46	C14-W31 HydrophobicContact CB-CZ2 3.71Å; S16-W31 VanDerWaalsContact N-CZ3 3.27Å; W31-V33 VanDerWaalsContact CD1-CG2 3.45Å; W31-Y43 PolarHBondContact N-O 3.19Å; W31-Y43 PolarHBondContact O-N 3.35Å; W31-E46 HydrophobicContact CD2-CB 4.05Å; W31-E46 HydrophobicContact CD2-CG 4.35Å; W31-E46 HydrophobicContact CE3-CB 4.33Å; W31-E46 HydrophobicContact CG-CB 4.26Å; W31-E46 HydrophobicContact CZ2-CG 4.16Å
32	L	97.9	Very high	94.4	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	134.9	-179.3	-169.3	67.9	0	0	0	109.4	C14 G15 L17 L40 I42 F95 W106	C14-L32 CarbonylContact C-O 3.45Å; C14-L32 WeakPolarHBondContact CA-O 3.29Å; G15-L32 PolarHBondContact N-O 2.86Å; G15-L32 PolarHBondContact O-N 3.37Å; L17-L32 HydrophobicContact CD1-CB 3.81Å; L17-L32 HydrophobicContact CD1-CD2 3.47Å; L17-L32 VanDerWaalsContact CD1-CD2 3.47Å; L17-L32 HydrophobicContact CD1-CG 4.28Å; L32-L40 HydrophobicContact CD1-CD1 3.8Å; L32-L40 HydrophobicContact CD1-CD2 4.49Å; L32-L40 HydrophobicContact CD1-CG 4.03Å; L32-L40 HydrophobicContact CD2-CD1 4.09Å; L32-L40 HydrophobicContact CG-CD1 3.83Å; L32-I42 HydrophobicContact CD1-CB 4.43Å; L32-I42 HydrophobicContact CD1-CG1 3.74Å; L32-F95 HydrophobicContact CD1-CE1 4.23Å; L32-F95 HydrophobicContact CD1-CZ 4.21Å; L32-W106 HydrophobicContact CB-CH2 3.86Å; L32-W106 HydrophobicContact CB-CZ2 4.05Å; L32-W106 HydrophobicContact CB-CZ3 4.48Å; L32-W106 HydrophobicContact CD2-CD2 4.1Å; L32-W106 HydrophobicContact CD2-CE3 3.79Å; L32-W106 HydrophobicContact CD2-CH2 3.86Å; L32-W106 HydrophobicContact CD2-CZ2 4.16Å; L32-W106 HydrophobicContact CD2-CZ3 3.67Å; L32-W106 HydrophobicContact CG-CH2 3.82Å; L32-W106 HydrophobicContact CG-CZ2 4.36Å; L32-W106 HydrophobicContact CG-CZ3 3.94Å; L32-W106 WeakPolarHBondContact O-CH2 3.37Å
33	V	97	Very high	94.9	Very high	4 Å²	4	57 Å²	57	2%	0.024	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	119.5	-180	-174.4	0	0	0	0	109.6	I11 C14 W31 Y35 L40 S41 Y43	I11-V33 HydrophobicContact CD1-CG1 4.2Å; I11-V33 HydrophobicContact CG1-CG1 3.97Å; I11-V33 HydrophobicContact CG2-CG1 4.1Å; C14-V33 HydrophobicContact CB-CB 4.48Å; C14-V33 HydrophobicContact CB-CG1 4.37Å; C14-V33 HydrophobicContact CB-CG2 4.06Å; W31-V33 VanDerWaalsContact CD1-CG2 3.45Å; V33-Y35 HydrophobicContact CB-CE2 4.33Å; V33-Y35 HydrophobicContact CG1-CD1 4.44Å; V33-Y35 HydrophobicContact CG1-CD2 4.31Å; V33-Y35 HydrophobicContact CG1-CE1 4.02Å; V33-Y35 HydrophobicContact CG1-CE2 3.88Å; V33-L40 WeakPolarHBondContact O-CA 3.47Å; V33-S41 PolarHBondContact N-O 2.98Å; V33-S41 PolarHBondContact O-N 3.33Å; V33-Y43 HydrophobicContact CB-CE2 4.12Å; V33-Y43 HydrophobicContact CG2-CD2 3.89Å; V33-Y43 HydrophobicContact CG2-CE2 3.83Å
34	L	96.9	Very high	95.2	Very high	3 Å²	3	54 Å²	54	2%	0.016	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.9	168.8	178.9	66.3	0	0	0	109	A12 K13 L40 I57 W106 A109 A113	A12-L34 HydrophobicContact CB-CD2 4.42Å; A12-L34 HydrophobicContact CB-CG 4.29Å; A12-L34 PolarHBondContact N-O 2.8Å; K13-L34 PolarHBondContact N-O 2.67Å; K13-L34 PolarHBondContact O-N 2.78Å; L34-L40 HydrophobicContact CB-CD1 4Å; L34-L40 HydrophobicContact CD1-CB 4.34Å; L34-L40 HydrophobicContact CD1-CD1 4.16Å; L34-I57 HydrophobicContact CD1-CD1 3.65Å; L34-W106 HydrophobicContact CB-CZ3 4.09Å; L34-A109 HydrophobicContact CD2-CB 3.69Å; L34-A113 HydrophobicContact CD1-CB 3.96Å; L34-A113 HydrophobicContact CD2-CB 4.33Å
35	Y	94.7	Very high	95.4	Very high	26 Å²	26	52.2 Å²	52.2	10%	0.102	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	154.4	176.4	-63.4	-83.7	0	0	0	110.9	A10 I11 V33 N37 G38 R39 Y43	A10-Y35 CarbonylContact O-C 3.54Å; A10-Y35 VanDerWaalsContact O-CA 3.31Å; A10-Y35 WeakPolarHBondContact O-CA 3.13Å; I11-Y35 HydrophobicContact CG1-CD1 4.29Å; I11-Y35 HydrophobicContact CG1-CE1 4.18Å; V33-Y35 HydrophobicContact CB-CE2 4.33Å; V33-Y35 HydrophobicContact CG1-CD1 4.44Å; V33-Y35 HydrophobicContact CG1-CD2 4.31Å; V33-Y35 HydrophobicContact CG1-CE1 4.02Å; V33-Y35 HydrophobicContact CG1-CE2 3.88Å; Y35-N37 WeakPolarHBondContact CB-OD1 3.34Å; Y35-N37 PolarHBondContact O-N 2.89Å; Y35-N37 VanDerWaalsContact O-N 3.14Å; Y35-G38 PolarHBondContact O-N 3.4Å; Y35-R39 HydrophobicContact CD2-CB 3.9Å; Y35-R39 HydrophobicContact CD2-CG 4.1Å; Y35-R39 VanDerWaalsContact CD2-NE 3.34Å; Y35-R39 VanDerWaalsContact CD2-O 3.32Å; Y35-R39 WeakPolarHBondContact CD2-O 3.32Å; Y35-R39 VanDerWaalsContact CE2-NH2 3.34Å; Y35-R39 HydrophobicContact CG-CB 4.44Å; Y35-R39 VanDerWaalsContact CZ-NH2 3.25Å; Y35-R39 PolarHBondContact N-O 2.94Å; Y35-Y43 PolarHBondContact OH-OH 2.78Å; Y35-Y43 VanDerWaalsContact OH-OH 3.09Å
36	Q	92.6	Very high	95.4	Very high	95 Å²	95	49 Å²	49	44%	0.444	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-15.4	179.9	-70	-176.5	-5.3	0	0	114.1	A10 A12 G38 I116	A10-Q36 HydrophobicContact CB-CB 4.26Å; A10-Q36 VanDerWaalsContact CB-CD 3.48Å; A10-Q36 HydrophobicContact CB-CG 3.96Å; A10-Q36 VanDerWaalsContact CB-OE1 3.3Å; A10-Q36 PolarHBondContact O-N 2.75Å; A12-Q36 HydrophobicContact CB-CG 4.03Å; Q36-G38 VanDerWaalsContact C-N 3.28Å; Q36-I116 VanDerWaalsContact O-CD1 3.29Å; Q36-I116 WeakPolarHBondContact O-CD1 3.45Å
37	N	90.3	Very high	95.3	Very high	52 Å²	52	49.4 Å²	49.4	28%	0.278	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	1.4	172	63.9	1.5	0	0	0	113.5	S8 Y35 R39	S8-N37 PolarHBondContact O-ND2 2.66Å; Y35-N37 WeakPolarHBondContact CB-OD1 3.34Å; Y35-N37 PolarHBondContact O-N 2.89Å; Y35-N37 VanDerWaalsContact O-N 3.14Å; N37-R39 WeakPolarHBondContact OD1-CB 3.44Å; N37-R39 PolarHBondContact OD1-N 3.16Å
38	G	93.1	Very high	95	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	85.7	7.3	-178.7	0	0	0	0	0	114.6	Y35 Q36 I57	Y35-G38 PolarHBondContact O-N 3.4Å; Q36-G38 VanDerWaalsContact C-N 3.28Å; G38-I57 WeakPolarHBondContact O-CB 3.29Å; G38-I57 WeakPolarHBondContact O-CG1 3.35Å; G38-I57 PolarHBondContact O-N 3.18Å
39	R	94	Very high	94.8	Very high	65 Å²	65	51 Å²	51	25%	0.245	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	129.3	171.2	-171.9	176.5	69.8	167.5	-2.4	109.6	Y35 N37 T54 V55	Y35-R39 HydrophobicContact CD2-CB 3.9Å; Y35-R39 HydrophobicContact CD2-CG 4.1Å; Y35-R39 VanDerWaalsContact CD2-NE 3.34Å; Y35-R39 VanDerWaalsContact CD2-O 3.32Å; Y35-R39 WeakPolarHBondContact CD2-O 3.32Å; Y35-R39 VanDerWaalsContact CE2-NH2 3.34Å; Y35-R39 HydrophobicContact CG-CB 4.44Å; Y35-R39 VanDerWaalsContact CZ-NH2 3.25Å; Y35-R39 PolarHBondContact N-O 2.94Å; N37-R39 WeakPolarHBondContact OD1-CB 3.44Å; N37-R39 PolarHBondContact OD1-N 3.16Å; R39-T54 HydrophobicContact CG-CG2 3.47Å; R39-T54 VanDerWaalsContact CG-CG2 3.47Å; R39-V55 CarbonylContact C-O 3.59Å; R39-V55 WeakPolarHBondContact CA-O 3.35Å
40	L	95.8	Very high	94.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.5	173.8	-176.5	69	0	0	0	108.4	L32 V33 L34 T54 V55 I57 F62 Y86 W106 I110	L32-L40 HydrophobicContact CD1-CD1 3.8Å; L32-L40 HydrophobicContact CD1-CD2 4.49Å; L32-L40 HydrophobicContact CD1-CG 4.03Å; L32-L40 HydrophobicContact CD2-CD1 4.09Å; L32-L40 HydrophobicContact CG-CD1 3.83Å; V33-L40 WeakPolarHBondContact O-CA 3.47Å; L34-L40 HydrophobicContact CB-CD1 4Å; L34-L40 HydrophobicContact CD1-CB 4.34Å; L34-L40 HydrophobicContact CD1-CD1 4.16Å; L40-T54 CarbonylContact O-C 3.51Å; L40-T54 WeakPolarHBondContact O-CA 3.45Å; L40-V55 HydrophobicContact CB-CG1 3.85Å; L40-V55 HydrophobicContact CD2-CG1 4.26Å; L40-V55 HydrophobicContact CG-CG1 4.48Å; L40-V55 PolarHBondContact N-O 3.46Å; L40-V55 PolarHBondContact O-N 3.36Å; L40-I57 HydrophobicContact CB-CD1 3.95Å; L40-I57 HydrophobicContact CB-CG1 4.26Å; L40-I57 HydrophobicContact CD2-CD1 4.43Å; L40-F62 HydrophobicContact CD2-CE2 4.26Å; L40-F62 HydrophobicContact CD2-CZ 4.46Å; L40-Y86 HydrophobicContact CD2-CD1 3.98Å; L40-Y86 HydrophobicContact CD2-CE1 3.49Å; L40-Y86 VanDerWaalsContact CD2-CE1 3.49Å; L40-W106 HydrophobicContact CD1-CZ3 4.45Å; L40-I110 HydrophobicContact CD2-CD1 4.34Å
41	S	96	Very high	94.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.6	-177.8	-61	0	0	0	0	111.2	V33 D53 T54	V33-S41 PolarHBondContact N-O 2.98Å; V33-S41 PolarHBondContact O-N 3.33Å; S41-D53 CarbonylContact C-O 3.58Å; S41-D53 WeakPolarHBondContact CA-O 3.38Å; S41-T54 WeakPolarHBondContact OG-CG2 3.32Å; S41-T54 PolarHBondContact OG-OG1 2.89Å
42	I	96.7	Very high	94.3	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127	176.7	-46.4	176.6	0	0	0	108.2	C30 L32 A51 L52 D53 Y86 H93 F95	C30-I42 HydrophobicContact CB-CG2 3.99Å; L32-I42 HydrophobicContact CD1-CB 4.43Å; L32-I42 HydrophobicContact CD1-CG1 3.74Å; I42-A51 CarbonylContact O-C 3.6Å; I42-A51 WeakPolarHBondContact O-CA 3.3Å; I42-L52 HydrophobicContact CB-CB 4.5Å; I42-L52 HydrophobicContact CG2-CD1 4.27Å; I42-L52 PolarHBondContact O-N 3.07Å; I42-D53 HydrophobicContact CB-CB 4.49Å; I42-D53 HydrophobicContact CD1-CB 4Å; I42-D53 HydrophobicContact CG1-CB 4.31Å; I42-D53 PolarHBondContact N-O 3.16Å; I42-D53 PolarHBondContact O-N 2.84Å; I42-Y86 WeakPolarHBondContact CD1-OH 3.49Å; I42-H93 WeakPolarHBondContact CD1-ND1 3.45Å; I42-F95 HydrophobicContact CD1-CE1 4.01Å; I42-F95 HydrophobicContact CD1-CZ 3.57Å; I42-F95 HydrophobicContact CG1-CE1 4.36Å; I42-F95 HydrophobicContact CG1-CZ 4.11Å; I42-F95 HydrophobicContact CG2-CE1 4.49Å
43	Y	97.2	Very high	94.2	Very high	34 Å²	34	55.7 Å²	55.7	13%	0.133	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	157.9	174.7	-63	-90.5	0	0	0	110.1	C30 W31 V33 Y35 S48 V50 A51	C30-Y43 WeakPolarHBondContact CA-O 3.48Å; C30-Y43 WeakPolarHBondContact CB-O 3.49Å; W31-Y43 PolarHBondContact N-O 3.19Å; W31-Y43 PolarHBondContact O-N 3.35Å; V33-Y43 HydrophobicContact CB-CE2 4.12Å; V33-Y43 HydrophobicContact CG2-CD2 3.89Å; V33-Y43 HydrophobicContact CG2-CE2 3.83Å; Y35-Y43 PolarHBondContact OH-OH 2.78Å; Y35-Y43 VanDerWaalsContact OH-OH 3.09Å; Y43-S48 VanDerWaalsContact CD1-O 3.29Å; Y43-S48 WeakPolarHBondContact CD1-O 3.36Å; Y43-V50 WeakPolarHBondContact CD1-O 3.33Å; Y43-A51 HydrophobicContact CD1-CB 4.21Å; Y43-A51 HydrophobicContact CE1-CB 3.81Å
44	E	95.9	Very high	94	Very high	96 Å²	96	58.5 Å²	58.5	45%	0.449	30%	0.3	S	S	.	.	S	Bend	trans	-67.4	-44.4	174.6	-172.3	167.5	-159.2	0	0	111.2	C30 L52	C30-E44 WeakPolarHBondContact CA-O 3.43Å; E44-L52 HydrophobicContact CB-CD1 4.29Å
45	N	94.3	Very high	93.9	Very high	84 Å²	84	58.6 Å²	58.6	45%	0.449	30%	0.301	S	S	.	.	S	Bend	trans	-146.8	169.3	177.8	-59.6	-59.3	0	0	0	109.3	H47 S48	N45-H47 PolarHBondContact O-N 3.1Å; N45-S48 WeakPolarHBondContact O-CB 3.48Å; N45-S48 PolarHBondContact O-N 2.71Å
46	E	93.4	Very high	93.9	Very high	124 Å²	124	59.3 Å²	59.3	58%	0.579	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-35	178.6	-175	177.5	-176.8	0	0	113.4	W31 S48	W31-E46 HydrophobicContact CD2-CB 4.05Å; W31-E46 HydrophobicContact CD2-CG 4.35Å; W31-E46 HydrophobicContact CE3-CB 4.33Å; W31-E46 HydrophobicContact CG-CB 4.26Å; W31-E46 HydrophobicContact CZ2-CG 4.16Å; E46-S48 VanDerWaalsContact C-N 3.34Å
47	H	92	Very high	93.9	Very high	174 Å²	174	55 Å²	55	81%	0.806	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-1	-179	-53.7	102.1	0	0	0	114.1	N45 N49	N45-H47 PolarHBondContact O-N 3.1Å; H47-N49 PolarHBondContact O-N 2.87Å
48	S	90.5	Very high	93.9	Very high	31 Å²	31	54.2 Å²	54.2	22%	0.217	29%	0.287	C	S	.	.			trans	-72.7	126	-179	-174.5	0	0	0	0	110.6	Y43 N45 E46 V50	Y43-S48 VanDerWaalsContact CD1-O 3.29Å; Y43-S48 WeakPolarHBondContact CD1-O 3.36Å; N45-S48 WeakPolarHBondContact O-CB 3.48Å; N45-S48 PolarHBondContact O-N 2.71Å; E46-S48 VanDerWaalsContact C-N 3.34Å; S48-V50 PolarHBondContact OG-N 3.09Å; S48-V50 PolarHBondContact OG-O 3.01Å
49	N	90.4	Very high	93.8	Very high	153 Å²	153	60.8 Å²	60.8	82%	0.818	31%	0.313	S	S	*	.	S	Bend	trans	-82.3	-15	173.4	55.5	-48.7	0	0	0	113	H47	H47-N49 PolarHBondContact O-N 2.87Å
50	V	93	Very high	93.6	Very high	93 Å²	93	61.4 Å²	61.4	56%	0.564	32%	0.321	S	S	*	.	S	Bend	trans	-108.3	124	179.8	-177	0	0	0	0	109.4	Y43 S48	Y43-V50 WeakPolarHBondContact CD1-O 3.33Å; S48-V50 PolarHBondContact OG-N 3.09Å; S48-V50 PolarHBondContact OG-O 3.01Å
51	A	94.8	Very high	93.3	Very high	33 Å²	33	67.7 Å²	67.7	27%	0.273	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	130.9	170.1	0	0	0	0	0	109.3	I42 Y43	I42-A51 CarbonylContact O-C 3.6Å; I42-A51 WeakPolarHBondContact O-CA 3.3Å; Y43-A51 HydrophobicContact CD1-CB 4.21Å; Y43-A51 HydrophobicContact CE1-CB 3.81Å
52	L	94.5	Very high	93.2	Very high	80 Å²	80	68.2 Å²	68.2	42%	0.419	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-34.5	170	-62.6	173.8	0	0	0	111.1	R19 I42 E44	R19-L52 VanDerWaalsContact CZ-CD1 3.44Å; R19-L52 VanDerWaalsContact NH2-CD1 3.34Å; I42-L52 HydrophobicContact CB-CB 4.5Å; I42-L52 HydrophobicContact CG2-CD1 4.27Å; I42-L52 PolarHBondContact O-N 3.07Å; E44-L52 HydrophobicContact CB-CD1 4.29Å
53	D	94.5	Very high	93.2	Very high	21 Å²	21	70.7 Å²	70.7	11%	0.112	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	153.1	175	-170.3	28.8	0	0	0	111.5	S41 I42 K91 H93	S41-D53 CarbonylContact C-O 3.58Å; S41-D53 WeakPolarHBondContact CA-O 3.38Å; I42-D53 HydrophobicContact CB-CB 4.49Å; I42-D53 HydrophobicContact CD1-CB 4Å; I42-D53 HydrophobicContact CG1-CB 4.31Å; I42-D53 PolarHBondContact N-O 3.16Å; I42-D53 PolarHBondContact O-N 2.84Å; D53-K91 VanDerWaalsContact CG-CE 3.47Å; D53-K91 WeakPolarHBondContact OD1-CE 3.36Å; D53-K91 IonicContact OD1-NZ 2.59Å; D53-K91 PolarHBondContact OD1-NZ 3.02Å; D53-K91 WeakPolarHBondContact OD2-CE 3.4Å; D53-K91 IonicContact OD2-NZ 3.02Å; D53-K91 PolarHBondContact OD2-NZ 2.92Å; D53-H93 IonicContact OD2-CD2 3.83Å; D53-H93 IonicContact OD2-CE1 3.25Å; D53-H93 PolarHBondContact OD2-CE1 3.48Å; D53-H93 VanDerWaalsContact OD2-CE1 3.25Å; D53-H93 IonicContact OD2-NE2 3Å; D53-H93 PolarHBondContact OD2-NE2 3.14Å
54	T	94.3	Very high	93.2	Very high	62 Å²	62	70.5 Å²	70.5	38%	0.38	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	132.3	174.6	-62	0	0	0	0	109.4	R39 L40 S41	R39-T54 HydrophobicContact CG-CG2 3.47Å; R39-T54 VanDerWaalsContact CG-CG2 3.47Å; L40-T54 CarbonylContact O-C 3.51Å; L40-T54 WeakPolarHBondContact O-CA 3.45Å; S41-T54 WeakPolarHBondContact OG-CG2 3.32Å; S41-T54 PolarHBondContact OG-OG1 2.89Å
55	V	94.7	Very high	93.2	Very high	6 Å²	6	66.2 Å²	66.2	4%	0.036	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.4	174.8	63.6	0	0	0	0	109.5	R39 L40 D60 F62 Y86 T88	R39-V55 CarbonylContact C-O 3.59Å; R39-V55 WeakPolarHBondContact CA-O 3.35Å; L40-V55 HydrophobicContact CB-CG1 3.85Å; L40-V55 HydrophobicContact CD2-CG1 4.26Å; L40-V55 HydrophobicContact CG-CG1 4.48Å; L40-V55 PolarHBondContact N-O 3.46Å; L40-V55 PolarHBondContact O-N 3.36Å; V55-D60 HydrophobicContact CG2-CB 3.71Å; V55-D60 VanDerWaalsContact CG2-OD2 3.3Å; V55-D60 WeakPolarHBondContact CG2-OD2 3.36Å; V55-F62 HydrophobicContact CG1-CD2 4.17Å; V55-F62 HydrophobicContact CG1-CE2 4.06Å; V55-F62 HydrophobicContact CG2-CD2 4.11Å; V55-Y86 HydrophobicContact CG1-CE2 4.05Å; V55-T88 HydrophobicContact CB-CG2 4.41Å; V55-T88 HydrophobicContact CG2-CG2 3.84Å
56	S	93.4	Very high	93.4	Very high	40 Å²	40	64.5 Å²	64.5	28%	0.28	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	98.8	173.3	-55.3	0	0	0	0	109.2	P58 Y59 D60	S56-P58 VanDerWaalsContact C-N 3.32Å; S56-Y59 PolarHBondContact O-N 3.18Å; S56-D60 PolarHBondContact N-OD2 3.41Å; S56-D60 WeakPolarHBondContact O-CB 3.4Å; S56-D60 PolarHBondContact O-N 3.03Å
57	I	93.7	Very high	93.5	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.026	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-40.1	-173.7	-60.6	160.6	0	0	0	113.4	L34 G38 L40 Y59 F62 I110 A113 R114	L34-I57 HydrophobicContact CD1-CD1 3.65Å; G38-I57 WeakPolarHBondContact O-CB 3.29Å; G38-I57 WeakPolarHBondContact O-CG1 3.35Å; G38-I57 PolarHBondContact O-N 3.18Å; L40-I57 HydrophobicContact CB-CD1 3.95Å; L40-I57 HydrophobicContact CB-CG1 4.26Å; L40-I57 HydrophobicContact CD2-CD1 4.43Å; I57-Y59 VanDerWaalsContact C-N 3.33Å; I57-Y59 PolarHBondContact O-N 2.76Å; I57-F62 HydrophobicContact CG1-CD2 4.03Å; I57-F62 HydrophobicContact CG1-CE1 4.49Å; I57-F62 HydrophobicContact CG1-CE2 3.91Å; I57-F62 HydrophobicContact CG1-CG 4.35Å; I57-F62 HydrophobicContact CG1-CZ 4.16Å; I57-F62 HydrophobicContact CG2-CD1 3.97Å; I57-F62 HydrophobicContact CG2-CE1 4.32Å; I57-F62 HydrophobicContact CG2-CG 4.16Å; I57-I110 HydrophobicContact CD1-CG1 4.44Å; I57-I110 HydrophobicContact CD1-CG2 3.99Å; I57-A113 HydrophobicContact CD1-CB 3.79Å; I57-A113 HydrophobicContact CG2-CB 4.49Å; I57-R114 HydrophobicContact CG2-CB 4.08Å
58	P	90.7	Very high	93.6	Very high	35 Å²	35	58.2 Å²	58.2	23%	0.227	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-23.8	-179.8	-18.6	31.4	0	0	0	114.8	S56 A113 I116	S56-P58 VanDerWaalsContact C-N 3.32Å; P58-A113 WeakPolarHBondContact CG-O 3.46Å; P58-I116 HydrophobicContact CG-CB 4.11Å
59	Y	89.3	Confident	93.9	Very high	138 Å²	138	61.4 Å²	61.4	54%	0.541	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-28.2	-167.6	-52	-61.7	0	0	0	113.4	S56 I57 P118	S56-Y59 PolarHBondContact O-N 3.18Å; I57-Y59 VanDerWaalsContact C-N 3.33Å; I57-Y59 PolarHBondContact O-N 2.76Å; Y59-P118 HydrophobicContact CE1-CB 4.12Å; Y59-P118 HydrophobicContact CE1-CG 4.35Å; Y59-P118 VanDerWaalsContact OH-CA 3.27Å; Y59-P118 WeakPolarHBondContact OH-CA 3.44Å; Y59-P118 WeakPolarHBondContact OH-CB 3.2Å
60	D	89.6	Confident	94.1	Very high	78 Å²	78	54.7 Å²	54.7	42%	0.417	29%	0.291	S	S	.	.	S	Bend	trans	-88.9	154.8	179.7	-66.2	-34.8	0	0	0	111.1	V55 S56 F62	V55-D60 HydrophobicContact CG2-CB 3.71Å; V55-D60 VanDerWaalsContact CG2-OD2 3.3Å; V55-D60 WeakPolarHBondContact CG2-OD2 3.36Å; S56-D60 PolarHBondContact N-OD2 3.41Å; S56-D60 WeakPolarHBondContact O-CB 3.4Å; S56-D60 PolarHBondContact O-N 3.03Å; D60-F62 PolarHBondContact O-N 3.2Å
61	F	90.5	Very high	94	Very high	132 Å²	132	61.8 Å²	61.8	58%	0.579	31%	0.308	S	S	*	.			trans	-63.2	108.4	166.9	-179.8	-97.6	0	0	0	108.8	T88 S89	F61-T88 VanDerWaalsContact O-CA 3.31Å; F61-T88 WeakPolarHBondContact O-CA 3.23Å; F61-S89 WeakPolarHBondContact CB-OG 3.39Å
62	F	93.9	Very high	93.9	Very high	12 Å²	12	61.6 Å²	61.6	5%	0.053	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	116.7	-174.2	-173.8	-83	0	0	0	110.2	L40 V55 I57 D60 L64 Y86 K87 I110	L40-F62 HydrophobicContact CD2-CE2 4.26Å; L40-F62 HydrophobicContact CD2-CZ 4.46Å; V55-F62 HydrophobicContact CG1-CD2 4.17Å; V55-F62 HydrophobicContact CG1-CE2 4.06Å; V55-F62 HydrophobicContact CG2-CD2 4.11Å; I57-F62 HydrophobicContact CG1-CD2 4.03Å; I57-F62 HydrophobicContact CG1-CE1 4.49Å; I57-F62 HydrophobicContact CG1-CE2 3.91Å; I57-F62 HydrophobicContact CG1-CG 4.35Å; I57-F62 HydrophobicContact CG1-CZ 4.16Å; I57-F62 HydrophobicContact CG2-CD1 3.97Å; I57-F62 HydrophobicContact CG2-CE1 4.32Å; I57-F62 HydrophobicContact CG2-CG 4.16Å; D60-F62 PolarHBondContact O-N 3.2Å; F62-L64 HydrophobicContact CE1-CB 4.07Å; F62-L64 HydrophobicContact CE1-CD1 4.21Å; F62-L64 HydrophobicContact CZ-CD1 4.4Å; F62-Y86 AromaticContact CD2-CD2 3.91Å; F62-Y86 HydrophobicContact CD2-CD2 3.91Å; F62-Y86 HydrophobicContact CD2-CG 4.18Å; F62-Y86 AromaticContact CE2-CD1 3.79Å; F62-Y86 HydrophobicContact CE2-CD1 3.79Å; F62-Y86 AromaticContact CE2-CD2 3.39Å; F62-Y86 HydrophobicContact CE2-CD2 3.39Å; F62-Y86 HydrophobicContact CE2-CE1 4.32Å; F62-Y86 AromaticContact CE2-CE2 4Å; F62-Y86 HydrophobicContact CE2-CE2 4Å; F62-Y86 AromaticContact CE2-CG 3.28Å; F62-Y86 HydrophobicContact CE2-CG 3.28Å; F62-Y86 AromaticContact CZ-CD1 3.88Å; F62-Y86 HydrophobicContact CZ-CD1 3.88Å; F62-Y86 HydrophobicContact CZ-CD2 4.1Å; F62-Y86 AromaticContact CZ-CG 3.52Å; F62-Y86 HydrophobicContact CZ-CG 3.52Å; F62-K87 WeakPolarHBondContact CA-O 3.48Å; F62-I110 HydrophobicContact CD1-CG2 4.45Å; F62-I110 HydrophobicContact CE1-CG2 3.34Å; F62-I110 HydrophobicContact CZ-CG2 3.5Å; F62-I110 VanDerWaalsContact CZ-CG2 3.5Å
63	T	95.9	Very high	93.9	Very high	53 Å²	53	61.3 Å²	61.3	33%	0.325	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	112.4	175.1	-57.2	0	0	0	0	109.8	Y86 K87	T63-Y86 CarbonylContact O-C 3.44Å; T63-Y86 VanDerWaalsContact O-CA 3.24Å; T63-Y86 WeakPolarHBondContact O-CA 3.49Å; T63-K87 PolarHBondContact N-O 2.96Å; T63-K87 PolarHBondContact O-N 3.25Å
64	L	97.1	Very high	93.9	Very high	30 Å²	30	62.4 Å²	62.4	16%	0.157	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	140.2	177.6	-169.5	60.9	0	0	0	110.8	F62 L107 I110 K111	F62-L64 HydrophobicContact CE1-CB 4.07Å; F62-L64 HydrophobicContact CE1-CD1 4.21Å; F62-L64 HydrophobicContact CZ-CD1 4.4Å; L64-L107 HydrophobicContact CD1-CD2 3.76Å; L64-L107 HydrophobicContact CD2-CB 4.42Å; L64-L107 HydrophobicContact CD2-CD2 3.63Å; L64-L107 HydrophobicContact CG-CD2 3.66Å; L64-I110 HydrophobicContact CD1-CB 4.4Å; L64-I110 HydrophobicContact CD1-CD1 4.13Å; L64-I110 HydrophobicContact CD1-CG2 3.88Å; L64-I110 HydrophobicContact CD2-CB 4.33Å; L64-I110 HydrophobicContact CD2-CG2 4.06Å; L64-I110 HydrophobicContact CG-CG2 4.47Å; L64-K111 HydrophobicContact CD2-CD 4.48Å; L64-K111 HydrophobicContact CD2-CG 3.79Å
65	Q	97.3	Very high	93.9	Very high	7 Å²	7	59.8 Å²	59.8	3%	0.033	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124.9	179.9	-55	-158.3	-84.7	0	0	110.6	E69 V70 F84 G85 K87	Q65-E69 WeakPolarHBondContact CA-OE2 3.33Å; Q65-E69 HydrophobicContact CB-CB 4.02Å; Q65-V70 HydrophobicContact CB-CG2 4.17Å; Q65-F84 WeakPolarHBondContact O-CA 3.48Å; Q65-F84 WeakPolarHBondContact O-CB 3.31Å; Q65-G85 WeakPolarHBondContact CA-O 3.48Å; Q65-G85 WeakPolarHBondContact CB-O 3.44Å; Q65-G85 PolarHBondContact N-O 3Å; Q65-G85 PolarHBondContact O-N 2.9Å; Q65-K87 HydrophobicContact CG-CG 4.44Å
66	N	97.1	Very high	93.7	Very high	47 Å²	47	66.7 Å²	66.7	25%	0.251	35%	0.347	S	S	.	.			trans	-83.5	173.1	170.5	-156.6	-24.4	0	0	0	110.6	N68 E69 V70 K103 L107	N66-N68 PolarHBondContact O-N 2.79Å; N66-N68 VanDerWaalsContact O-N 3.09Å; N66-E69 PolarHBondContact O-N 2.84Å; N66-V70 WeakPolarHBondContact O-CG2 2.99Å; N66-V70 PolarHBondContact O-N 3.45Å; N66-K103 PolarHBondContact OD1-NZ 2.79Å; N66-L107 HydrophobicContact CB-CD1 4.29Å
67	S	96.1	Very high	93.7	Very high	13 Å²	13	68.9 Å²	68.9	9%	0.091	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-49.2	-38.4	-178.6	-46.8	0	0	0	0	113.3	E69 V70 S80 N81 L83	S67-E69 VanDerWaalsContact C-N 3.27Å; S67-E69 PolarHBondContact O-N 2.95Å; S67-V70 PolarHBondContact O-N 3.05Å; S67-S80 WeakPolarHBondContact CB-O 3.24Å; S67-N81 PolarHBondContact OG-O 2.59Å; S67-L83 VanDerWaalsContact CA-O 3.24Å; S67-L83 WeakPolarHBondContact CA-O 3.38Å; S67-L83 WeakPolarHBondContact CB-O 3.37Å; S67-L83 PolarHBondContact N-O 3.47Å; S67-L83 PolarHBondContact OG-O 2.72Å
68	N	95	Very high	93.6	Very high	153 Å²	153	71.6 Å²	71.6	82%	0.818	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-68.4	-23.8	180	-61.4	-17.2	0	0	0	113.8	N66	N66-N68 PolarHBondContact O-N 2.79Å; N66-N68 VanDerWaalsContact O-N 3.09Å
69	E	95.9	Very high	93.8	Very high	99 Å²	99	72.7 Å²	72.7	46%	0.463	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-93.7	-14.2	179.7	-63	176.8	-153.7	0	0	112.6	Q65 N66 S67	Q65-E69 WeakPolarHBondContact CA-OE2 3.33Å; Q65-E69 HydrophobicContact CB-CB 4.02Å; N66-E69 PolarHBondContact O-N 2.84Å; S67-E69 VanDerWaalsContact C-N 3.27Å; S67-E69 PolarHBondContact O-N 2.95Å
70	V	94.9	Very high	94	Very high	12 Å²	12	69 Å²	69	7%	0.073	39%	0.391	C	S	.	.			trans	-88.3	112.5	179.1	177.6	0	0	0	0	109	Q65 N66 S67 V72 L83 Y94	Q65-V70 HydrophobicContact CB-CG2 4.17Å; N66-V70 WeakPolarHBondContact O-CG2 2.99Å; N66-V70 PolarHBondContact O-N 3.45Å; S67-V70 PolarHBondContact O-N 3.05Å; V70-V72 VanDerWaalsContact C-N 3.34Å; V70-V72 HydrophobicContact CG1-CB 4.02Å; V70-V72 HydrophobicContact CG1-CG2 4.33Å; V70-L83 HydrophobicContact CB-CB 4.38Å; V70-L83 HydrophobicContact CG1-CB 4.16Å; V70-L83 HydrophobicContact CG1-CD1 4.13Å; V70-Y94 HydrophobicContact CB-CD1 4.29Å; V70-Y94 HydrophobicContact CB-CE1 4.29Å; V70-Y94 HydrophobicContact CG1-CD1 3.58Å; V70-Y94 HydrophobicContact CG1-CE1 3.85Å; V70-Y94 HydrophobicContact CG1-CG 4.35Å; V70-Y94 HydrophobicContact CG2-CD1 3.84Å; V70-Y94 HydrophobicContact CG2-CE1 3.95Å
71	R	91.3	Very high	94.3	Very high	241 Å²	241	69.7 Å²	69.7	91%	0.909	39%	0.394	S	S	*	.			trans	-96.7	23.3	-179.7	-59.5	-177	-176.6	171.5	0.1	113.5
72	V	93.3	Very high	94.6	Very high	29 Å²	29	63.6 Å²	63.6	18%	0.176	37%	0.368	C	S	.	.	S	Bend	trans	-99.6	142.1	-176.7	178.1	0	0	0	0	109.5	Q20 W27 V70 L83 Y94	Q20-V72 VanDerWaalsContact CD-CG1 3.49Å; W27-V72 HydrophobicContact CZ2-CG1 3.81Å; V70-V72 VanDerWaalsContact C-N 3.34Å; V70-V72 HydrophobicContact CG1-CB 4.02Å; V70-V72 HydrophobicContact CG1-CG2 4.33Å; V72-L83 WeakPolarHBondContact O-CD1 3.44Å; V72-Y94 HydrophobicContact CG2-CD1 4.42Å; V72-Y94 HydrophobicContact CG2-CD2 3.65Å; V72-Y94 HydrophobicContact CG2-CE1 4.38Å; V72-Y94 HydrophobicContact CG2-CE2 3.57Å; V72-Y94 HydrophobicContact CG2-CG 4.07Å
73	A	93.7	Very high	94.8	Very high	74 Å²	74	63.1 Å²	63.1	61%	0.612	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-65.1	131.1	173.3	0	0	0	0	0	110.7	W27	W27-A73 WeakPolarHBondContact CZ2-O 3.12Å; W27-A73 PolarHBondContact NE1-O 2.75Å
74	P	94.4	Very high	94.9	Very high	44 Å²	44	60.6 Å²	60.6	29%	0.286	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-63.4	164.1	178.6	27.6	-34.5	0	0	0	111.8	K78 L83	P74-K78 WeakPolarHBondContact CB-O 3.18Å; P74-K78 WeakPolarHBondContact CG-O 3.38Å; P74-L83 HydrophobicContact CB-CD1 4.05Å; P74-L83 HydrophobicContact CB-CD2 4.39Å; P74-L83 HydrophobicContact CB-CG 4.3Å
75	P	93.9	Very high	94.9	Very high	7 Å²	7	59.2 Å²	59.2	5%	0.045	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-54.1	154	168.3	-16.7	24.8	0	0	0	112	Q18 W27 G77 K78 C96	Q18-P75 HydrophobicContact CB-CG 4.33Å; W27-P75 HydrophobicContact CB-CB 4.17Å; W27-P75 HydrophobicContact CB-CG 4.16Å; W27-P75 HydrophobicContact CD2-CB 4.39Å; W27-P75 HydrophobicContact CD2-CG 3.58Å; W27-P75 HydrophobicContact CE3-CG 3.92Å; W27-P75 HydrophobicContact CG-CB 3.96Å; W27-P75 HydrophobicContact CG-CG 3.68Å; P75-G77 PolarHBondContact O-N 2.8Å; P75-G77 VanDerWaalsContact O-N 3.16Å; P75-K78 HydrophobicContact CB-CB 4.23Å; P75-K78 HydrophobicContact CB-CG 4.08Å; P75-K78 HydrophobicContact CG-CB 4.25Å; P75-K78 HydrophobicContact CG-CG 4.23Å; P75-K78 PolarHBondContact O-N 2.94Å; P75-C96 HydrophobicContact CG-CB 3.61Å
76	T	91.5	Very high	94.9	Very high	152 Å²	152	58.9 Å²	58.9	93%	0.933	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	122.4	176.9	-53.8	0	0	0	0	110.7	K78	T76-K78 VanDerWaalsContact C-N 3.33Å; T76-K78 PolarHBondContact O-N 3.21Å
77	G	92.1	Very high	94.8	Very high	86 Å²	86	60.6 Å²	60.6	89%	0.887	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	0.9	179.1	0	0	0	0	0	115.6	P75	P75-G77 PolarHBondContact O-N 2.8Å; P75-G77 VanDerWaalsContact O-N 3.16Å
78	K	92.7	Very high	94.7	Very high	61 Å²	61	61.1 Å²	61.1	27%	0.265	35%	0.35	S	S	.	.			trans	-101.1	151	174	-67.3	-67.5	-164.3	175.3	0	111.2	P74 P75 T76 D98	P74-K78 WeakPolarHBondContact CB-O 3.18Å; P74-K78 WeakPolarHBondContact CG-O 3.38Å; P75-K78 HydrophobicContact CB-CB 4.23Å; P75-K78 HydrophobicContact CB-CG 4.08Å; P75-K78 HydrophobicContact CG-CB 4.25Å; P75-K78 HydrophobicContact CG-CG 4.23Å; P75-K78 PolarHBondContact O-N 2.94Å; T76-K78 VanDerWaalsContact C-N 3.33Å; T76-K78 PolarHBondContact O-N 3.21Å; K78-D98 PolarHBondContact NZ-O 2.94Å; K78-D98 IonicContact NZ-OD1 2.84Å; K78-D98 PolarHBondContact NZ-OD1 3.4Å
79	S	93.7	Very high	94.4	Very high	59 Å²	59	58.9 Å²	58.9	41%	0.413	35%	0.346	S	S	.	.			trans	-81.1	151.2	176.1	-180	0	0	0	0	111.5	N81 C82	S79-N81 PolarHBondContact O-N 3.3Å; S79-N81 PolarHBondContact OG-N 3.16Å; S79-C82 PolarHBondContact O-N 3.32Å
80	S	94.4	Very high	94	Very high	61 Å²	61	57.9 Å²	57.9	43%	0.427	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-61.3	-23.1	169.8	54	0	0	0	0	112.7	S67 C82 L83	S67-S80 WeakPolarHBondContact CB-O 3.24Å; S80-C82 PolarHBondContact O-N 3.02Å; S80-L83 VanDerWaalsContact O-CB 3.3Å; S80-L83 WeakPolarHBondContact O-CB 3.18Å; S80-L83 PolarHBondContact O-N 2.83Å; S80-L83 VanDerWaalsContact O-N 3.11Å
81	N	95.9	Very high	93.9	Very high	91 Å²	91	61.7 Å²	61.7	49%	0.487	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-70	-11	177.8	-64.5	-18.7	0	0	0	113.5	S67 S79 K103	S67-N81 PolarHBondContact OG-O 2.59Å; S79-N81 PolarHBondContact O-N 3.3Å; S79-N81 PolarHBondContact OG-N 3.16Å; N81-K103 WeakPolarHBondContact O-CE 3.35Å; N81-K103 PolarHBondContact O-NZ 3.4Å
82	C	96.6	Very high	94	Very high	5 Å²	5	53 Å²	53	3%	0.034	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-92.2	-3.4	174	-56.1	0	0	0	0	112.3	S79 S80 C96 A97	S79-C82 PolarHBondContact O-N 3.32Å; S80-C82 PolarHBondContact O-N 3.02Å; C82-C96 WeakPolarHBondContact O-CA 3.37Å; C82-A97 WeakPolarHBondContact CB-O 3.35Å; C82-A97 PolarHBondContact O-N 2.94Å
83	L	97.6	Very high	94.2	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	139.7	-176.4	-66.3	173.4	0	0	0	111.9	W27 S67 V70 V72 P74 S80 F95 C96	W27-L83 HydrophobicContact CH2-CD2 3.42Å; W27-L83 VanDerWaalsContact CH2-CD2 3.42Å; W27-L83 HydrophobicContact CZ2-CD2 3.67Å; W27-L83 HydrophobicContact CZ3-CD2 4.36Å; S67-L83 VanDerWaalsContact CA-O 3.24Å; S67-L83 WeakPolarHBondContact CA-O 3.38Å; S67-L83 WeakPolarHBondContact CB-O 3.37Å; S67-L83 PolarHBondContact N-O 3.47Å; S67-L83 PolarHBondContact OG-O 2.72Å; V70-L83 HydrophobicContact CB-CB 4.38Å; V70-L83 HydrophobicContact CG1-CB 4.16Å; V70-L83 HydrophobicContact CG1-CD1 4.13Å; V72-L83 WeakPolarHBondContact O-CD1 3.44Å; P74-L83 HydrophobicContact CB-CD1 4.05Å; P74-L83 HydrophobicContact CB-CD2 4.39Å; P74-L83 HydrophobicContact CB-CG 4.3Å; S80-L83 VanDerWaalsContact O-CB 3.3Å; S80-L83 WeakPolarHBondContact O-CB 3.18Å; S80-L83 PolarHBondContact O-N 2.83Å; S80-L83 VanDerWaalsContact O-N 3.11Å; L83-F95 WeakPolarHBondContact CA-O 3.21Å; L83-C96 HydrophobicContact CD2-CB 3.87Å
84	F	98.1	Very high	94.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	172.7	165.6	68.9	-78.4	0	0	0	109.2	L17 Q65 F95 A97 K103 W106 L107 I110	L17-F84 HydrophobicContact CD1-CE1 4.29Å; L17-F84 HydrophobicContact CD1-CZ 3.8Å; L17-F84 HydrophobicContact CD2-CE1 4.46Å; Q65-F84 WeakPolarHBondContact O-CA 3.48Å; Q65-F84 WeakPolarHBondContact O-CB 3.31Å; F84-F95 HydrophobicContact CD1-CB 4.1Å; F84-F95 HydrophobicContact CD2-CD2 4.39Å; F84-F95 HydrophobicContact CE1-CB 3.66Å; F84-F95 HydrophobicContact CE2-CB 4.11Å; F84-F95 AromaticContact CE2-CD2 3.97Å; F84-F95 HydrophobicContact CE2-CD2 3.97Å; F84-F95 HydrophobicContact CE2-CG 4.3Å; F84-F95 HydrophobicContact CZ-CB 3.68Å; F84-F95 HydrophobicContact CZ-CD2 4.29Å; F84-F95 HydrophobicContact CZ-CG 4.15Å; F84-F95 PolarHBondContact N-O 3.34Å; F84-F95 PolarHBondContact O-N 3.32Å; F84-A97 HydrophobicContact CE1-CB 4.37Å; F84-K103 HydrophobicContact CB-CG 3.98Å; F84-K103 HydrophobicContact CD1-CB 4.2Å; F84-K103 HydrophobicContact CD1-CG 3.63Å; F84-K103 HydrophobicContact CE1-CG 4.46Å; F84-K103 HydrophobicContact CG-CG 4.1Å; F84-W106 HydrophobicContact CE1-CB 4.3Å; F84-W106 HydrophobicContact CE1-CG 4.48Å; F84-W106 HydrophobicContact CE2-CB 4.04Å; F84-W106 HydrophobicContact CZ-CB 3.75Å; F84-W106 AromaticContact CZ-CG 3.88Å; F84-W106 HydrophobicContact CZ-CG 3.88Å; F84-L107 HydrophobicContact CB-CD2 3.97Å; F84-L107 HydrophobicContact CD2-CD2 4.28Å; F84-L107 HydrophobicContact CG-CD2 4.4Å; F84-I110 HydrophobicContact CE2-CD1 4.3Å
85	G	97.2	Very high	94.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	176.9	177.6	0	0	0	0	0	112.2	Q65 H93	Q65-G85 WeakPolarHBondContact CA-O 3.48Å; Q65-G85 WeakPolarHBondContact CB-O 3.44Å; Q65-G85 PolarHBondContact N-O 3Å; Q65-G85 PolarHBondContact O-N 2.9Å; G85-H93 CarbonylContact C-O 3.53Å; G85-H93 WeakPolarHBondContact CA-O 3.46Å
86	Y	97	Very high	94.7	Very high	1 Å²	1	49.4 Å²	49.4	0%	0.004	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	148.9	168.9	65.5	-100.6	0	0	0	110.9	L40 I42 V55 F62 T63 T88 T92 H93 F95	L40-Y86 HydrophobicContact CD2-CD1 3.98Å; L40-Y86 HydrophobicContact CD2-CE1 3.49Å; L40-Y86 VanDerWaalsContact CD2-CE1 3.49Å; I42-Y86 WeakPolarHBondContact CD1-OH 3.49Å; V55-Y86 HydrophobicContact CG1-CE2 4.05Å; F62-Y86 AromaticContact CD2-CD2 3.91Å; F62-Y86 HydrophobicContact CD2-CD2 3.91Å; F62-Y86 HydrophobicContact CD2-CG 4.18Å; F62-Y86 AromaticContact CE2-CD1 3.79Å; F62-Y86 HydrophobicContact CE2-CD1 3.79Å; F62-Y86 AromaticContact CE2-CD2 3.39Å; F62-Y86 HydrophobicContact CE2-CD2 3.39Å; F62-Y86 HydrophobicContact CE2-CE1 4.32Å; F62-Y86 AromaticContact CE2-CE2 4Å; F62-Y86 HydrophobicContact CE2-CE2 4Å; F62-Y86 AromaticContact CE2-CG 3.28Å; F62-Y86 HydrophobicContact CE2-CG 3.28Å; F62-Y86 AromaticContact CZ-CD1 3.88Å; F62-Y86 HydrophobicContact CZ-CD1 3.88Å; F62-Y86 HydrophobicContact CZ-CD2 4.1Å; F62-Y86 AromaticContact CZ-CG 3.52Å; F62-Y86 HydrophobicContact CZ-CG 3.52Å; T63-Y86 CarbonylContact O-C 3.44Å; T63-Y86 VanDerWaalsContact O-CA 3.24Å; T63-Y86 WeakPolarHBondContact O-CA 3.49Å; Y86-T88 HydrophobicContact CD2-CG2 3.67Å; Y86-T88 HydrophobicContact CE2-CG2 3.56Å; Y86-T92 WeakPolarHBondContact O-CA 3.46Å; Y86-H93 HydrophobicContact CD1-CB 4.32Å; Y86-H93 HydrophobicContact CD2-CB 4.46Å; Y86-H93 HydrophobicContact CE1-CB 3.94Å; Y86-H93 HydrophobicContact CE2-CB 4.08Å; Y86-H93 AromaticContact CE2-CD2 3.52Å; Y86-H93 AromaticContact CE2-CG 3.96Å; Y86-H93 AromaticContact CZ-CD2 3.76Å; Y86-H93 AromaticContact CZ-CG 3.77Å; Y86-H93 PolarHBondContact N-O 3.23Å; Y86-H93 PolarHBondContact O-N 2.79Å; Y86-F95 AromaticContact CD1-CE2 3.73Å; Y86-F95 HydrophobicContact CD1-CE2 3.73Å; Y86-F95 AromaticContact CE1-CE2 3.41Å; Y86-F95 HydrophobicContact CE1-CE2 3.41Å; Y86-F95 VanDerWaalsContact CE1-CE2 3.41Å; Y86-F95 AromaticContact CE1-CZ 3.79Å; Y86-F95 HydrophobicContact CE1-CZ 3.79Å
87	K	95.7	Very high	95	Very high	82 Å²	82	42.1 Å²	42.1	36%	0.357	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	132	174	-66	179.9	171.9	165.6	0	109.4	F62 T63 Q65 T92	F62-K87 WeakPolarHBondContact CA-O 3.48Å; T63-K87 PolarHBondContact N-O 2.96Å; T63-K87 PolarHBondContact O-N 3.25Å; Q65-K87 HydrophobicContact CG-CG 4.44Å; K87-T92 HydrophobicContact CG-CG2 3.67Å
88	T	93.8	Very high	95.1	Very high	24 Å²	24	42.8 Å²	42.8	15%	0.147	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	170.3	169.5	61.8	0	0	0	0	109.7	V55 F61 Y86 G90 K91	V55-T88 HydrophobicContact CB-CG2 4.41Å; V55-T88 HydrophobicContact CG2-CG2 3.84Å; F61-T88 VanDerWaalsContact O-CA 3.31Å; F61-T88 WeakPolarHBondContact O-CA 3.23Å; Y86-T88 HydrophobicContact CD2-CG2 3.67Å; Y86-T88 HydrophobicContact CE2-CG2 3.56Å; T88-G90 PolarHBondContact O-N 2.78Å; T88-K91 PolarHBondContact N-O 2.86Å; T88-K91 PolarHBondContact O-N 2.89Å; T88-K91 WeakPolarHBondContact OG1-CG 3.48Å; T88-K91 PolarHBondContact OG1-N 2.83Å; T88-K91 PolarHBondContact OG1-O 2.91Å
89	S	88.1	Confident	95.2	Very high	106 Å²	106	43.4 Å²	43.4	74%	0.741	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-25.6	-176.8	-56.5	0	0	0	0	115.2	F61	F61-S89 WeakPolarHBondContact CB-OG 3.39Å
90	G	88.1	Confident	95.3	Very high	78 Å²	78	43 Å²	43	80%	0.804	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123	-9.4	-176.9	0	0	0	0	0	116.1	T88	T88-G90 PolarHBondContact O-N 2.78Å
91	K	91.9	Very high	95.4	Very high	92 Å²	92	46.1 Å²	46.1	40%	0.4	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	154.4	-171.2	56.7	-170.2	179.1	-170	0	112.7	D53 T88 H93	D53-K91 VanDerWaalsContact CG-CE 3.47Å; D53-K91 WeakPolarHBondContact OD1-CE 3.36Å; D53-K91 IonicContact OD1-NZ 2.59Å; D53-K91 PolarHBondContact OD1-NZ 3.02Å; D53-K91 WeakPolarHBondContact OD2-CE 3.4Å; D53-K91 IonicContact OD2-NZ 3.02Å; D53-K91 PolarHBondContact OD2-NZ 2.92Å; T88-K91 PolarHBondContact N-O 2.86Å; T88-K91 PolarHBondContact O-N 2.89Å; T88-K91 WeakPolarHBondContact OG1-CG 3.48Å; T88-K91 PolarHBondContact OG1-N 2.83Å; T88-K91 PolarHBondContact OG1-O 2.91Å; K91-H93 WeakPolarHBondContact CD-NE2 3.16Å; K91-H93 WeakPolarHBondContact CE-NE2 3.2Å; K91-H93 WeakPolarHBondContact CG-NE2 3.45Å
92	T	95	Very high	95.5	Very high	60 Å²	60	43.9 Å²	43.9	37%	0.368	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.1	174.5	-51.9	0	0	0	0	109	Y86 K87 Y94	Y86-T92 WeakPolarHBondContact O-CA 3.46Å; K87-T92 HydrophobicContact CG-CG2 3.67Å; T92-Y94 HydrophobicContact CG2-CD1 4.37Å; T92-Y94 HydrophobicContact CG2-CD2 4.33Å; T92-Y94 HydrophobicContact CG2-CE1 3.75Å; T92-Y94 HydrophobicContact CG2-CE2 3.73Å
93	H	96.5	Very high	95.5	Very high	31 Å²	31	44.3 Å²	44.3	14%	0.144	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130.8	174.8	-67.3	-95.6	0	0	0	109.1	I42 D53 G85 Y86 K91 F95	I42-H93 WeakPolarHBondContact CD1-ND1 3.45Å; D53-H93 IonicContact OD2-CD2 3.83Å; D53-H93 IonicContact OD2-CE1 3.25Å; D53-H93 PolarHBondContact OD2-CE1 3.48Å; D53-H93 VanDerWaalsContact OD2-CE1 3.25Å; D53-H93 IonicContact OD2-NE2 3Å; D53-H93 PolarHBondContact OD2-NE2 3.14Å; G85-H93 CarbonylContact C-O 3.53Å; G85-H93 WeakPolarHBondContact CA-O 3.46Å; Y86-H93 HydrophobicContact CD1-CB 4.32Å; Y86-H93 HydrophobicContact CD2-CB 4.46Å; Y86-H93 HydrophobicContact CE1-CB 3.94Å; Y86-H93 HydrophobicContact CE2-CB 4.08Å; Y86-H93 AromaticContact CE2-CD2 3.52Å; Y86-H93 AromaticContact CE2-CG 3.96Å; Y86-H93 AromaticContact CZ-CD2 3.76Å; Y86-H93 AromaticContact CZ-CG 3.77Å; Y86-H93 PolarHBondContact N-O 3.23Å; Y86-H93 PolarHBondContact O-N 2.79Å; K91-H93 WeakPolarHBondContact CD-NE2 3.16Å; K91-H93 WeakPolarHBondContact CE-NE2 3.2Å; K91-H93 WeakPolarHBondContact CG-NE2 3.45Å; H93-F95 HydrophobicContact CB-CE2 3.58Å; H93-F95 HydrophobicContact CB-CZ 3.82Å
94	Y	97.4	Very high	95.5	Very high	44 Å²	44	48 Å²	48	17%	0.173	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	137.6	173.3	-62	-66.9	0	0	0	109.5	R19 Q20 V70 V72 T92	R19-Y94 WeakPolarHBondContact CA-O 3.32Å; Q20-Y94 PolarHBondContact N-O 3.13Å; Q20-Y94 VanDerWaalsContact OE1-CD2 3.24Å; V70-Y94 HydrophobicContact CB-CD1 4.29Å; V70-Y94 HydrophobicContact CB-CE1 4.29Å; V70-Y94 HydrophobicContact CG1-CD1 3.58Å; V70-Y94 HydrophobicContact CG1-CE1 3.85Å; V70-Y94 HydrophobicContact CG1-CG 4.35Å; V70-Y94 HydrophobicContact CG2-CD1 3.84Å; V70-Y94 HydrophobicContact CG2-CE1 3.95Å; V72-Y94 HydrophobicContact CG2-CD1 4.42Å; V72-Y94 HydrophobicContact CG2-CD2 3.65Å; V72-Y94 HydrophobicContact CG2-CE1 4.38Å; V72-Y94 HydrophobicContact CG2-CE2 3.57Å; V72-Y94 HydrophobicContact CG2-CG 4.07Å; T92-Y94 HydrophobicContact CG2-CD1 4.37Å; T92-Y94 HydrophobicContact CG2-CD2 4.33Å; T92-Y94 HydrophobicContact CG2-CE1 3.75Å; T92-Y94 HydrophobicContact CG2-CE2 3.73Å
95	F	97.8	Very high	95.5	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	151.7	179.9	-56.2	-85.1	0	0	0	110.1	L17 Q18 R19 L32 I42 L83 F84 Y86 H93	L17-F95 HydrophobicContact CD1-CB 4.36Å; L17-F95 HydrophobicContact CD1-CD1 4.25Å; L17-F95 HydrophobicContact CD1-CG 4.45Å; Q18-F95 CarbonylContact O-C 3.57Å; Q18-F95 WeakPolarHBondContact O-CA 3.36Å; R19-F95 HydrophobicContact CB-CD1 3.99Å; R19-F95 HydrophobicContact CB-CE1 4.04Å; L32-F95 HydrophobicContact CD1-CE1 4.23Å; L32-F95 HydrophobicContact CD1-CZ 4.21Å; I42-F95 HydrophobicContact CD1-CE1 4.01Å; I42-F95 HydrophobicContact CD1-CZ 3.57Å; I42-F95 HydrophobicContact CG1-CE1 4.36Å; I42-F95 HydrophobicContact CG1-CZ 4.11Å; I42-F95 HydrophobicContact CG2-CE1 4.49Å; L83-F95 WeakPolarHBondContact CA-O 3.21Å; F84-F95 HydrophobicContact CD1-CB 4.1Å; F84-F95 HydrophobicContact CD2-CD2 4.39Å; F84-F95 HydrophobicContact CE1-CB 3.66Å; F84-F95 HydrophobicContact CE2-CB 4.11Å; F84-F95 AromaticContact CE2-CD2 3.97Å; F84-F95 HydrophobicContact CE2-CD2 3.97Å; F84-F95 HydrophobicContact CE2-CG 4.3Å; F84-F95 HydrophobicContact CZ-CB 3.68Å; F84-F95 HydrophobicContact CZ-CD2 4.29Å; F84-F95 HydrophobicContact CZ-CG 4.15Å; F84-F95 PolarHBondContact N-O 3.34Å; F84-F95 PolarHBondContact O-N 3.32Å; Y86-F95 AromaticContact CD1-CE2 3.73Å; Y86-F95 HydrophobicContact CD1-CE2 3.73Å; Y86-F95 AromaticContact CE1-CE2 3.41Å; Y86-F95 HydrophobicContact CE1-CE2 3.41Å; Y86-F95 VanDerWaalsContact CE1-CE2 3.41Å; Y86-F95 AromaticContact CE1-CZ 3.79Å; Y86-F95 HydrophobicContact CE1-CZ 3.79Å; H93-F95 HydrophobicContact CB-CE2 3.58Å; H93-F95 HydrophobicContact CB-CZ 3.82Å
96	C	97.3	Very high	95.6	Very high	2 Å²	2	50 Å²	50	1%	0.014	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121.1	167.4	-170.4	0	0	0	0	107.5	Q18 W27 P75 C82 L83	Q18-C96 HydrophobicContact CB-CB 4.28Å; Q18-C96 PolarHBondContact N-O 2.79Å; Q18-C96 PolarHBondContact O-N 2.8Å; W27-C96 HydrophobicContact CE3-CB 4.36Å; W27-C96 HydrophobicContact CH2-CB 4.32Å; W27-C96 HydrophobicContact CZ3-CB 3.96Å; P75-C96 HydrophobicContact CG-CB 3.61Å; C82-C96 WeakPolarHBondContact O-CA 3.37Å; L83-C96 HydrophobicContact CD2-CB 3.87Å
97	A	97.2	Very high	95.6	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.291	C	S	.	.			trans	-75.9	168.1	170.4	0	0	0	0	0	111.3	L17 C82 F84 D102 K103	L17-A97 HydrophobicContact CD2-CB 3.89Å; C82-A97 WeakPolarHBondContact CB-O 3.35Å; C82-A97 PolarHBondContact O-N 2.94Å; F84-A97 HydrophobicContact CE1-CB 4.37Å; A97-D102 HydrophobicContact CB-CB 4.29Å; A97-K103 HydrophobicContact CB-CB 3.74Å
98	D	94.2	Very high	95.7	Very high	99 Å²	99	48.9 Å²	48.9	53%	0.529	30%	0.296	S	S	.	.	S	Bend	trans	-71.2	-37	176.8	-88	-36.5	0	0	0	112.7	K78	K78-D98 PolarHBondContact NZ-O 2.94Å; K78-D98 IonicContact NZ-OD1 2.84Å; K78-D98 PolarHBondContact NZ-OD1 3.4Å
99	D	95.2	Very high	95.8	Very high	75 Å²	75	48.6 Å²	48.6	40%	0.401	30%	0.296	S	S	.	.	S	Bend	trans	-138.3	150.9	-177.2	-174	-87.1	0	0	0	110.2	D101 D102 K103	D99-D101 PolarHBondContact O-N 2.96Å; D99-D101 WeakPolarHBondContact OD1-CB 2.97Å; D99-D101 PolarHBondContact OD1-N 3.37Å; D99-D102 PolarHBondContact O-N 3.45Å; D99-K103 PolarHBondContact O-N 2.89Å
100	P	96.3	Very high	96.2	Very high	51 Å²	51	43.6 Å²	43.6	33%	0.331	26%	0.261	S	S	.	.	H	α-helix	trans	-52.3	-34.6	172.9	21.1	-36.8	0	0	0	114.7	K103 E104	P100-K103 WeakPolarHBondContact O-CB 3.49Å; P100-K103 PolarHBondContact O-N 2.91Å; P100-E104 PolarHBondContact O-N 2.9Å
101	D	97.2	Very high	96.6	Very high	125 Å²	125	45.4 Å²	45.4	67%	0.668	25%	0.247	S	C	*	.	H	α-helix	trans	-69.2	-39.8	-179.7	-69.5	-36.1	0	0	0	111.7	D99 K103 E104 A105	D99-D101 PolarHBondContact O-N 2.96Å; D99-D101 WeakPolarHBondContact OD1-CB 2.97Å; D99-D101 PolarHBondContact OD1-N 3.37Å; D101-K103 VanDerWaalsContact C-N 3.31Å; D101-K103 PolarHBondContact O-N 2.85Å; D101-E104 PolarHBondContact O-N 3.21Å; D101-A105 PolarHBondContact O-N 2.97Å
102	D	97	Very high	96.8	Very high	45 Å²	45	47.8 Å²	47.8	24%	0.241	26%	0.259	C	S	.	.	H	α-helix	trans	-66.9	-35.5	175	-173.9	52.6	0	0	0	111.3	K13 A97 D99 A105 W106	K13-D102 IonicContact NZ-OD1 2.79Å; K13-D102 PolarHBondContact NZ-OD1 2.94Å; A97-D102 HydrophobicContact CB-CB 4.29Å; D99-D102 PolarHBondContact O-N 3.45Å; D102-A105 WeakPolarHBondContact O-CB 3.24Å; D102-A105 PolarHBondContact O-N 3.49Å; D102-W106 PolarHBondContact O-N 2.79Å; D102-W106 PolarHBondContact OD2-NE1 3.45Å
103	K	97.5	Very high	96.7	Very high	14 Å²	14	45.1 Å²	45.1	6%	0.061	24%	0.243	C	C	.	.	H	α-helix	trans	-59.3	-46.4	170.7	172.3	-91.6	-57.3	-164.4	0	111.4	N66 N81 F84 A97 D99 P100 D101 A105 W106 L107	N66-K103 PolarHBondContact OD1-NZ 2.79Å; N81-K103 WeakPolarHBondContact O-CE 3.35Å; N81-K103 PolarHBondContact O-NZ 3.4Å; F84-K103 HydrophobicContact CB-CG 3.98Å; F84-K103 HydrophobicContact CD1-CB 4.2Å; F84-K103 HydrophobicContact CD1-CG 3.63Å; F84-K103 HydrophobicContact CE1-CG 4.46Å; F84-K103 HydrophobicContact CG-CG 4.1Å; A97-K103 HydrophobicContact CB-CB 3.74Å; D99-K103 PolarHBondContact O-N 2.89Å; P100-K103 WeakPolarHBondContact O-CB 3.49Å; P100-K103 PolarHBondContact O-N 2.91Å; D101-K103 VanDerWaalsContact C-N 3.31Å; D101-K103 PolarHBondContact O-N 2.85Å; K103-A105 VanDerWaalsContact C-N 3.32Å; K103-A105 PolarHBondContact O-N 2.92Å; K103-W106 PolarHBondContact O-N 2.94Å; K103-L107 HydrophobicContact CD-CD1 3.56Å; K103-L107 HydrophobicContact CD-CG 4.15Å; K103-L107 HydrophobicContact CG-CD1 4.46Å; K103-L107 WeakPolarHBondContact O-CG 3.5Å; K103-L107 PolarHBondContact O-N 3Å
104	E	98	Very high	96.5	Very high	80 Å²	80	51 Å²	51	37%	0.374	27%	0.265	S	S	.	.	H	α-helix	trans	-63.7	-38.2	177.1	-70.7	-59.1	149.4	0	0	111.9	P100 D101 W106 L107 A108	P100-E104 PolarHBondContact O-N 2.9Å; D101-E104 PolarHBondContact O-N 3.21Å; E104-W106 VanDerWaalsContact C-N 3.35Å; E104-W106 PolarHBondContact O-N 3.25Å; E104-L107 PolarHBondContact O-N 3.27Å; E104-A108 WeakPolarHBondContact O-CB 3.42Å; E104-A108 PolarHBondContact O-N 3.42Å
105	A	97.8	Very high	96.2	Very high	41 Å²	41	55 Å²	55	34%	0.339	29%	0.288	S	S	.	.	H	α-helix	trans	-61	-41.6	173.9	0	0	0	0	0	112.3	D101 D102 K103 A109	D101-A105 PolarHBondContact O-N 2.97Å; D102-A105 WeakPolarHBondContact O-CB 3.24Å; D102-A105 PolarHBondContact O-N 3.49Å; K103-A105 VanDerWaalsContact C-N 3.32Å; K103-A105 PolarHBondContact O-N 2.92Å; A105-A109 WeakPolarHBondContact O-CB 3.37Å; A105-A109 PolarHBondContact O-N 3.26Å
106	W	98	Very high	95.7	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.4	-44.5	173.3	-81.7	110.7	0	0	0	112.4	K13 L17 L32 L34 L40 F84 D102 K103 E104 A108 A109 I110	K13-W106 HydrophobicContact CB-CH2 4.38Å; K13-W106 HydrophobicContact CB-CZ3 4.3Å; K13-W106 HydrophobicContact CD-CD2 4.02Å; K13-W106 HydrophobicContact CD-CE3 4.06Å; K13-W106 HydrophobicContact CD-CH2 4.4Å; K13-W106 HydrophobicContact CD-CZ2 4.35Å; K13-W106 HydrophobicContact CD-CZ3 4.26Å; K13-W106 VanDerWaalsContact CE-CD2 3.47Å; K13-W106 HydrophobicContact CG-CE3 4.42Å; K13-W106 HydrophobicContact CG-CH2 3.93Å; K13-W106 HydrophobicContact CG-CZ2 4.08Å; K13-W106 HydrophobicContact CG-CZ3 4.1Å; L17-W106 HydrophobicContact CD1-CD2 4.44Å; L17-W106 HydrophobicContact CD1-CZ2 4.29Å; L32-W106 HydrophobicContact CB-CH2 3.86Å; L32-W106 HydrophobicContact CB-CZ2 4.05Å; L32-W106 HydrophobicContact CB-CZ3 4.48Å; L32-W106 HydrophobicContact CD2-CD2 4.1Å; L32-W106 HydrophobicContact CD2-CE3 3.79Å; L32-W106 HydrophobicContact CD2-CH2 3.86Å; L32-W106 HydrophobicContact CD2-CZ2 4.16Å; L32-W106 HydrophobicContact CD2-CZ3 3.67Å; L32-W106 HydrophobicContact CG-CH2 3.82Å; L32-W106 HydrophobicContact CG-CZ2 4.36Å; L32-W106 HydrophobicContact CG-CZ3 3.94Å; L32-W106 WeakPolarHBondContact O-CH2 3.37Å; L34-W106 HydrophobicContact CB-CZ3 4.09Å; L40-W106 HydrophobicContact CD1-CZ3 4.45Å; F84-W106 HydrophobicContact CE1-CB 4.3Å; F84-W106 HydrophobicContact CE1-CG 4.48Å; F84-W106 HydrophobicContact CE2-CB 4.04Å; F84-W106 HydrophobicContact CZ-CB 3.75Å; F84-W106 AromaticContact CZ-CG 3.88Å; F84-W106 HydrophobicContact CZ-CG 3.88Å; D102-W106 PolarHBondContact O-N 2.79Å; D102-W106 PolarHBondContact OD2-NE1 3.45Å; K103-W106 PolarHBondContact O-N 2.94Å; E104-W106 VanDerWaalsContact C-N 3.35Å; E104-W106 PolarHBondContact O-N 3.25Å; W106-A108 VanDerWaalsContact C-N 3.34Å; W106-A108 PolarHBondContact O-N 3.47Å; W106-A109 PolarHBondContact O-N 2.86Å; W106-I110 WeakPolarHBondContact O-CB 3.44Å; W106-I110 WeakPolarHBondContact O-CD1 3.5Å; W106-I110 VanDerWaalsContact O-CG1 3.23Å; W106-I110 WeakPolarHBondContact O-CG1 3.33Å; W106-I110 PolarHBondContact O-N 2.95Å
107	L	97.8	Very high	94.9	Very high	2 Å²	2	65.1 Å²	65.1	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-60.8	-44.2	177.2	-69.4	179.4	0	0	0	111.5	L64 N66 F84 K103 E104 K111	L64-L107 HydrophobicContact CD1-CD2 3.76Å; L64-L107 HydrophobicContact CD2-CB 4.42Å; L64-L107 HydrophobicContact CD2-CD2 3.63Å; L64-L107 HydrophobicContact CG-CD2 3.66Å; N66-L107 HydrophobicContact CB-CD1 4.29Å; F84-L107 HydrophobicContact CB-CD2 3.97Å; F84-L107 HydrophobicContact CD2-CD2 4.28Å; F84-L107 HydrophobicContact CG-CD2 4.4Å; K103-L107 HydrophobicContact CD-CD1 3.56Å; K103-L107 HydrophobicContact CD-CG 4.15Å; K103-L107 HydrophobicContact CG-CD1 4.46Å; K103-L107 WeakPolarHBondContact O-CG 3.5Å; K103-L107 PolarHBondContact O-N 3Å; E104-L107 PolarHBondContact O-N 3.27Å; L107-K111 WeakPolarHBondContact O-CB 3.45Å; L107-K111 WeakPolarHBondContact O-CD 3.41Å; L107-K111 WeakPolarHBondContact O-CG 3.38Å; L107-K111 PolarHBondContact O-N 3.24Å
108	A	97.5	Very high	93.7	Very high	58 Å²	58	68.8 Å²	68.8	48%	0.479	36%	0.361	S	S	.	.	H	α-helix	trans	-62.3	-49.2	177.6	0	0	0	0	0	111.6	E104 W106 I110 K111 E112	E104-A108 WeakPolarHBondContact O-CB 3.42Å; E104-A108 PolarHBondContact O-N 3.42Å; W106-A108 VanDerWaalsContact C-N 3.34Å; W106-A108 PolarHBondContact O-N 3.47Å; A108-I110 VanDerWaalsContact C-N 3.34Å; A108-I110 PolarHBondContact O-N 2.93Å; A108-K111 PolarHBondContact O-N 3.29Å; A108-E112 PolarHBondContact O-N 3.1Å
109	A	96.9	Very high	92.5	Very high	17 Å²	17	70.1 Å²	70.1	14%	0.14	37%	0.372	C	S	.	.	H	α-helix	trans	-62.4	-39.9	-179.9	0	0	0	0	0	112.5	K13 L34 A105 W106 E112 A113	K13-A109 HydrophobicContact CD-CB 4.32Å; L34-A109 HydrophobicContact CD2-CB 3.69Å; A105-A109 WeakPolarHBondContact O-CB 3.37Å; A105-A109 PolarHBondContact O-N 3.26Å; W106-A109 PolarHBondContact O-N 2.86Å; A109-E112 PolarHBondContact O-N 3.25Å; A109-A113 WeakPolarHBondContact O-CB 3.46Å; A109-A113 PolarHBondContact O-N 3.5Å
110	I	96.9	Very high	90.9	Very high	2 Å²	2	71.5 Å²	71.5	1%	0.01	39%	0.385	C	S	.	.	H	α-helix	trans	-69.9	-38.4	176.9	-68	167.4	0	0	0	111.4	L40 I57 F62 L64 F84 W106 A108 E112 A113 R114	L40-I110 HydrophobicContact CD2-CD1 4.34Å; I57-I110 HydrophobicContact CD1-CG1 4.44Å; I57-I110 HydrophobicContact CD1-CG2 3.99Å; F62-I110 HydrophobicContact CD1-CG2 4.45Å; F62-I110 HydrophobicContact CE1-CG2 3.34Å; F62-I110 HydrophobicContact CZ-CG2 3.5Å; F62-I110 VanDerWaalsContact CZ-CG2 3.5Å; L64-I110 HydrophobicContact CD1-CB 4.4Å; L64-I110 HydrophobicContact CD1-CD1 4.13Å; L64-I110 HydrophobicContact CD1-CG2 3.88Å; L64-I110 HydrophobicContact CD2-CB 4.33Å; L64-I110 HydrophobicContact CD2-CG2 4.06Å; L64-I110 HydrophobicContact CG-CG2 4.47Å; F84-I110 HydrophobicContact CE2-CD1 4.3Å; W106-I110 WeakPolarHBondContact O-CB 3.44Å; W106-I110 WeakPolarHBondContact O-CD1 3.5Å; W106-I110 VanDerWaalsContact O-CG1 3.23Å; W106-I110 WeakPolarHBondContact O-CG1 3.33Å; W106-I110 PolarHBondContact O-N 2.95Å; A108-I110 VanDerWaalsContact C-N 3.34Å; A108-I110 PolarHBondContact O-N 2.93Å; I110-E112 VanDerWaalsContact C-N 3.35Å; I110-A113 PolarHBondContact O-N 3.11Å; I110-R114 PolarHBondContact O-N 2.87Å
111	K	96.3	Very high	89.1	Confident	115 Å²	115	76.9 Å²	76.9	50%	0.5	40%	0.4	S	S	.	.	H	α-helix	trans	-63.4	-41.5	174.3	-75.5	168.6	-175.5	175.3	0	111.5	L64 L107 A108 R114	L64-K111 HydrophobicContact CD2-CD 4.48Å; L64-K111 HydrophobicContact CD2-CG 3.79Å; L107-K111 WeakPolarHBondContact O-CB 3.45Å; L107-K111 WeakPolarHBondContact O-CD 3.41Å; L107-K111 WeakPolarHBondContact O-CG 3.38Å; L107-K111 PolarHBondContact O-N 3.24Å; A108-K111 PolarHBondContact O-N 3.29Å; K111-R114 WeakPolarHBondContact O-CB 3.5Å; K111-R114 PolarHBondContact O-N 2.81Å
112	E	94.8	Very high	87.1	Confident	142 Å²	142	77.1 Å²	77.1	66%	0.664	41%	0.406	S	S	*	.	H	α-helix	trans	-62.9	-43.8	174.5	-174.7	179.6	-178.6	0	0	111.1	A108 A109 I110 R114 N115	A108-E112 PolarHBondContact O-N 3.1Å; A109-E112 PolarHBondContact O-N 3.25Å; I110-E112 VanDerWaalsContact C-N 3.35Å; E112-R114 PolarHBondContact O-N 2.78Å; E112-R114 VanDerWaalsContact O-N 3.13Å; E112-N115 PolarHBondContact O-N 2.88Å
113	A	93.6	Very high	85	Confident	4 Å²	4	79.8 Å²	79.8	3%	0.033	42%	0.424	C	S	.	.	H	α-helix	trans	-59.2	-27.2	178.2	0	0	0	0	0	113.5	L34 I57 P58 A109 I110 N115 I116	L34-A113 HydrophobicContact CD1-CB 3.96Å; L34-A113 HydrophobicContact CD2-CB 4.33Å; I57-A113 HydrophobicContact CD1-CB 3.79Å; I57-A113 HydrophobicContact CG2-CB 4.49Å; P58-A113 WeakPolarHBondContact CG-O 3.46Å; A109-A113 WeakPolarHBondContact O-CB 3.46Å; A109-A113 PolarHBondContact O-N 3.5Å; I110-A113 PolarHBondContact O-N 3.11Å; A113-N115 PolarHBondContact O-N 2.84Å; A113-I116 HydrophobicContact CB-CD1 4Å; A113-I116 WeakPolarHBondContact O-CB 3.4Å; A113-I116 WeakPolarHBondContact O-CD1 3.3Å; A113-I116 WeakPolarHBondContact O-CG1 3.24Å; A113-I116 PolarHBondContact O-N 2.98Å
114	R	91.7	Very high	82.6	Confident	156 Å²	156	83.6 Å²	83.6	59%	0.589	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.8	175.3	-166.8	175.6	-177.8	160.6	3.1	113.4	I57 I110 K111 E112	I57-R114 HydrophobicContact CG2-CB 4.08Å; I110-R114 PolarHBondContact O-N 2.87Å; K111-R114 WeakPolarHBondContact O-CB 3.5Å; K111-R114 PolarHBondContact O-N 2.81Å; E112-R114 PolarHBondContact O-N 2.78Å; E112-R114 VanDerWaalsContact O-N 3.13Å
115	N	91.1	Very high	80.3	Confident	126 Å²	126	85.1 Å²	85.1	67%	0.674	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	0.7	-179.1	-59.8	-38.6	0	0	0	113.1	E112 A113 Q117	E112-N115 PolarHBondContact O-N 2.88Å; A113-N115 PolarHBondContact O-N 2.84Å; N115-Q117 PolarHBondContact O-N 2.78Å; N115-Q117 VanDerWaalsContact O-N 3.16Å
116	I	88.6	Confident	77.9	Confident	51 Å²	51	90.7 Å²	90.7	26%	0.262	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-66.7	116.6	178.4	-64.3	166.1	0	0	0	108.4	Q36 P58 A113	Q36-I116 VanDerWaalsContact O-CD1 3.29Å; Q36-I116 WeakPolarHBondContact O-CD1 3.45Å; P58-I116 HydrophobicContact CG-CB 4.11Å; A113-I116 HydrophobicContact CB-CD1 4Å; A113-I116 WeakPolarHBondContact O-CB 3.4Å; A113-I116 WeakPolarHBondContact O-CD1 3.3Å; A113-I116 WeakPolarHBondContact O-CG1 3.24Å; A113-I116 PolarHBondContact O-N 2.98Å
117	Q	79.8	Confident	75.4	Confident	165 Å²	165	96.4 Å²	96.4	77%	0.771	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-78.5	144.3	174	-64.6	-175	41.9	0	0	109.9	N115 V119	N115-Q117 PolarHBondContact O-N 2.78Å; N115-Q117 VanDerWaalsContact O-N 3.16Å; Q117-V119 PolarHBondContact O-N 2.79Å
118	P	71	Confident	73	Confident	77 Å²	77	105 Å²	105	50%	0.5	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-54.9	127.1	167.2	20.4	-28.8	0	0	0	108.4	Y59 P120	Y59-P118 HydrophobicContact CE1-CB 4.12Å; Y59-P118 HydrophobicContact CE1-CG 4.35Å; Y59-P118 VanDerWaalsContact OH-CA 3.27Å; Y59-P118 WeakPolarHBondContact OH-CA 3.44Å; Y59-P118 WeakPolarHBondContact OH-CB 3.2Å; P118-P120 WeakPolarHBondContact O-CD 3.39Å
119	V	68.9	Low	70.5	Confident	126 Å²	126	104.7 Å²	104.7	76%	0.764	56%	0.556	S	S	*	*			trans	-58.5	115.3	170.7	-162.7	0	0	0	0	105.6	Q117 Y121	Q117-V119 PolarHBondContact O-N 2.79Å; V119-Y121 PolarHBondContact O-N 2.89Å
120	P	61.9	Low	67.8	Low	104 Å²	104	112.6 Å²	112.6	68%	0.675	59%	0.592	S	S	*	*			trans	-57.9	122.9	172.6	-17.1	30	0	0	0	104.8	P118 T122	P118-P120 WeakPolarHBondContact O-CD 3.39Å; P120-T122 VanDerWaalsContact C-N 3.29Å; P120-T122 PolarHBondContact O-N 2.95Å
121	Y	58.9	Low	65.2	Low	164 Å²	164	123.3 Å²	123.3	64%	0.643	63%	0.634	S	S	*	*			trans	-52.4	110.9	161.8	37	-89	0	0	0	104.3	V119 T123	V119-Y121 PolarHBondContact O-N 2.89Å; Y121-T123 HydrophobicContact CD2-CG2 4.05Å; Y121-T123 HydrophobicContact CE2-CG2 4.35Å; Y121-T123 PolarHBondContact O-N 2.74Å
122	T	54.2	Low	62.6	Low	131 Å²	131	124.7 Å²	124.7	80%	0.804	65%	0.653	S	S	*	*			trans	-60.3	100.6	162.6	-50.4	0	0	0	0	101.9	P120 C124	P120-T122 VanDerWaalsContact C-N 3.29Å; P120-T122 PolarHBondContact O-N 2.95Å; T122-C124 VanDerWaalsContact C-N 3.26Å; T122-C124 PolarHBondContact O-N 3.02Å
123	T	53.2	Low	59.8	Low	100 Å²	100	121.7 Å²	121.7	61%	0.613	66%	0.659	S	S	*	*			trans	-48.1	110.8	162.6	34.8	0	0	0	0	102.5	Y121 S125	Y121-T123 HydrophobicContact CD2-CG2 4.05Å; Y121-T123 HydrophobicContact CE2-CG2 4.35Å; Y121-T123 PolarHBondContact O-N 2.74Å; T123-S125 VanDerWaalsContact C-N 3.29Å; T123-S125 PolarHBondContact O-N 2.92Å
124	C	48	Very low	57.1	Low	94 Å²	94	125 Å²	125	64%	0.635	70%	0.695	S	S	*	*			trans	-52.5	114.2	167.8	46.3	0	0	0	0	102.7	T122 R126	T122-C124 VanDerWaalsContact C-N 3.26Å; T122-C124 PolarHBondContact O-N 3.02Å; C124-R126 HydrophobicContact CB-CG 4.38Å; C124-R126 PolarHBondContact O-N 2.98Å
125	S	49.4	Very low	54.4	Low	112 Å²	112	123.9 Å²	123.9	78%	0.783	71%	0.705	S	S	*	*			trans	-61.6	75.9	160.3	-56	0	0	0	0	104	T123 P127	T123-S125 VanDerWaalsContact C-N 3.29Å; T123-S125 PolarHBondContact O-N 2.92Å; S125-P127 WeakPolarHBondContact O-CD 2.94Å
126	R	47	Very low	52.1	Low	159 Å²	159	128.3 Å²	128.3	60%	0.6	71%	0.714	S	S	*	*			trans	-62.2	114.8	155.5	-75.7	-179.8	86.9	168.3	8.1	101.1	C124 Y128	C124-R126 HydrophobicContact CB-CG 4.38Å; C124-R126 PolarHBondContact O-N 2.98Å; R126-Y128 HydrophobicContact CB-CD2 3.5Å; R126-Y128 VanDerWaalsContact CB-CD2 3.5Å; R126-Y128 HydrophobicContact CB-CE2 3.39Å; R126-Y128 HydrophobicContact CB-CG 4.42Å; R126-Y128 HydrophobicContact CG-CE2 4.05Å; R126-Y128 PolarHBondContact NE-OH 3.21Å; R126-Y128 PolarHBondContact NH1-OH 3.21Å; R126-Y128 PolarHBondContact NH2-OH 2.84Å; R126-Y128 PolarHBondContact O-N 3.28Å
127	P	46.1	Very low	49.7	Very low	120 Å²	120	130.6 Å²	130.6	78%	0.779	74%	0.74	S	S	*	*			trans	-66.5	82.5	168.5	28.8	-30.4	0	0	0	106	S125 G129	S125-P127 WeakPolarHBondContact O-CD 2.94Å; P127-G129 PolarHBondContact O-N 3.27Å
128	Y	46.9	Very low	47.8	Very low	183 Å²	183	128.2 Å²	128.2	72%	0.718	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	70.7	158.1	-71.6	-74.3	0	0	0	105.7	R126	R126-Y128 HydrophobicContact CB-CD2 3.5Å; R126-Y128 VanDerWaalsContact CB-CD2 3.5Å; R126-Y128 HydrophobicContact CB-CE2 3.39Å; R126-Y128 HydrophobicContact CB-CG 4.42Å; R126-Y128 HydrophobicContact CG-CE2 4.05Å; R126-Y128 PolarHBondContact NE-OH 3.21Å; R126-Y128 PolarHBondContact NH1-OH 3.21Å; R126-Y128 PolarHBondContact NH2-OH 2.84Å; R126-Y128 PolarHBondContact O-N 3.28Å
129	G	44.9	Very low	46.3	Very low	51 Å²	51	131.1 Å²	131.1	53%	0.526	75%	0.748	S	S	.	*	T	Hydrogen-bonded Turn	trans	-142.3	-1.8	-171.7	0	0	0	0	0	113.9	P127 Y131	P127-G129 PolarHBondContact O-N 3.27Å; G129-Y131 PolarHBondContact O-N 3.03Å; G129-Y131 VanDerWaalsContact O-N 3.1Å
130	M	41.5	Very low	44.7	Very low	182 Å²	182	131.1 Å²	131.1	90%	0.897	75%	0.752	S	S	*	*			trans	-81	52.5	154.9	-79.5	-166.8	-176.6	0	0	110.2
131	Y	41.6	Very low	43.4	Very low	228 Å²	228	132.8 Å²	132.8	89%	0.894	75%	0.751	S	S	*	*			trans	-137.8	86.2	150.4	-84.7	-75.8	0	0	0	106	G129 G133	G129-Y131 PolarHBondContact O-N 3.03Å; G129-Y131 VanDerWaalsContact O-N 3.1Å; Y131-G133 PolarHBondContact O-N 3.47Å; Y131-G133 VanDerWaalsContact O-N 3.16Å
132	T	40.3	Very low	42.5	Very low	144 Å²	144	130.1 Å²	130.1	88%	0.883	75%	0.753	S	S	*	*			trans	-62.3	105.3	169.5	46.1	0	0	0	0	108.7
133	G	36.9	Very low	41.8	Very low	78 Å²	78	127.3 Å²	127.3	80%	0.804	74%	0.743	S	S	*	*			trans	150.5	112.1	165.1	0	0	0	0	0	112.9	Y131	Y131-G133 PolarHBondContact O-N 3.47Å; Y131-G133 VanDerWaalsContact O-N 3.16Å
134	G	36.2	Very low	41.3	Very low	75 Å²	75	133 Å²	133	77%	0.773	76%	0.755	S	S	*	*			trans	124.5	91.6	162.6	0	0	0	0	0	114.1	Y136	G134-Y136 PolarHBondContact O-N 3.46Å; G134-Y136 VanDerWaalsContact O-N 3.14Å
135	T	36.8	Very low	40.9	Very low	132 Å²	132	132.9 Å²	132.9	81%	0.81	75%	0.751	S	S	*	*			trans	-52.5	103.9	164	41.3	0	0	0	0	112.5
136	Y	41.6	Very low	40.3	Very low	218 Å²	218	134.5 Å²	134.5	86%	0.855	75%	0.75	S	S	*	*			trans	-142.5	108.1	136.8	-70.7	-75	0	0	0	106.7	G134 T138	G134-Y136 PolarHBondContact O-N 3.46Å; G134-Y136 VanDerWaalsContact O-N 3.14Å; Y136-T138 PolarHBondContact O-N 3.35Å
137	A	38.2	Very low	40	Very low	99 Å²	99	132.4 Å²	132.4	82%	0.818	76%	0.758	S	S	*	*			trans	-58.1	88.2	167.7	0	0	0	0	0	107.7	L139	A137-L139 PolarHBondContact O-N 2.95Å
138	T	40.6	Very low	39.8	Very low	116 Å²	116	131.9 Å²	131.9	71%	0.712	75%	0.752	S	S	*	*			trans	-69.4	98.1	169.7	-60.3	0	0	0	0	104.4	Y136 C140	Y136-T138 PolarHBondContact O-N 3.35Å; T138-C140 VanDerWaalsContact C-N 3.29Å; T138-C140 PolarHBondContact O-N 2.81Å
139	L	38.7	Very low	39.4	Very low	137 Å²	137	132.2 Å²	132.2	72%	0.717	76%	0.76	S	S	*	*			trans	-45.4	97.9	165.7	-78.7	147.5	0	0	0	107.6	A137 H141	A137-L139 PolarHBondContact O-N 2.95Å; L139-H141 PolarHBondContact O-N 3.06Å
140	C	35.6	Very low	38.9	Very low	127 Å²	127	136.5 Å²	136.5	86%	0.858	77%	0.768	S	S	*	*			trans	-66.1	76.1	168.1	-65.4	0	0	0	0	107.5	T138	T138-C140 VanDerWaalsContact C-N 3.29Å; T138-C140 PolarHBondContact O-N 2.81Å
141	H	34.9	Very low	38.8	Very low	138 Å²	138	133.9 Å²	133.9	64%	0.639	77%	0.765	S	S	*	*			trans	-64.5	137.5	161.1	-76.1	84.2	0	0	0	107	L139 A143	L139-H141 PolarHBondContact O-N 3.06Å; H141-A143 VanDerWaalsContact C-N 3.34Å; H141-A143 PolarHBondContact O-N 2.87Å
142	P	39.5	Very low	39	Very low	108 Å²	108	128.8 Å²	128.8	70%	0.701	76%	0.757	S	S	*	*			trans	-60.7	103.7	170.9	26.2	-31.6	0	0	0	106.6	Y144	P142-Y144 VanDerWaalsContact C-N 3.34Å; P142-Y144 PolarHBondContact O-N 3.29Å
143	A	40.6	Very low	39	Very low	72 Å²	72	125.2 Å²	125.2	60%	0.595	74%	0.742	S	S	*	*			trans	-63.2	104.3	172.4	0	0	0	0	0	105.9	H141 V145	H141-A143 VanDerWaalsContact C-N 3.34Å; H141-A143 PolarHBondContact O-N 2.87Å; A143-V145 HydrophobicContact CB-CG2 3.65Å; A143-V145 PolarHBondContact O-N 3.32Å
144	Y	41.4	Very low	39	Very low	219 Å²	219	130.3 Å²	130.3	86%	0.859	74%	0.738	S	S	*	*			trans	-60.1	82.3	148.6	-74.3	-90.1	0	0	0	105.4	P142 L146	P142-Y144 VanDerWaalsContact C-N 3.34Å; P142-Y144 PolarHBondContact O-N 3.29Å; Y144-L146 PolarHBondContact O-N 2.68Å
145	V	41.1	Very low	39.1	Very low	92 Å²	92	136.1 Å²	136.1	56%	0.558	74%	0.738	S	S	*	*			trans	-69.6	93	171	-167.7	0	0	0	0	104	A143	A143-V145 HydrophobicContact CB-CG2 3.65Å; A143-V145 PolarHBondContact O-N 3.32Å
146	L	35	Very low	39.1	Very low	146 Å²	146	134.5 Å²	134.5	76%	0.764	73%	0.73	S	S	*	*			trans	-47.9	125.2	157.3	-76.1	168	0	0	0	105.5	Y144 V148	Y144-L146 PolarHBondContact O-N 2.68Å; L146-V148 PolarHBondContact O-N 3.25Å
147	P	41.1	Very low	39	Very low	116 Å²	116	129.2 Å²	129.2	75%	0.753	72%	0.722	S	S	*	*			trans	-64	96.5	179.6	24.2	-30.4	0	0	0	107.2	Q149	P147-Q149 PolarHBondContact O-N 3.11Å; P147-Q149 VanDerWaalsContact O-N 3.1Å
148	V	41.7	Very low	39.1	Very low	108 Å²	108	128.6 Å²	128.6	66%	0.655	72%	0.717	S	S	*	*			trans	-51.5	120.3	155.4	173.8	0	0	0	0	103.7	L146 M150	L146-V148 PolarHBondContact O-N 3.25Å; V148-M150 HydrophobicContact CB-SD 4.44Å; V148-M150 HydrophobicContact CG1-SD 4.11Å; V148-M150 PolarHBondContact O-N 2.91Å
149	Q	38.6	Very low	39.1	Very low	190 Å²	190	129.3 Å²	129.3	89%	0.888	72%	0.721	S	S	*	*			trans	-62	76.9	173.1	-71.1	172.6	-37.6	0	0	108	P147 P151	P147-Q149 PolarHBondContact O-N 3.11Å; P147-Q149 VanDerWaalsContact O-N 3.1Å; Q149-P151 WeakPolarHBondContact O-CD 3.36Å
150	M	35.7	Very low	38.8	Very low	142 Å²	142	133 Å²	133	70%	0.7	73%	0.727	S	S	*	*			trans	-63.8	123.7	159.3	-35.8	-77.2	-144.5	0	0	104	V148 V152	V148-M150 HydrophobicContact CB-SD 4.44Å; V148-M150 HydrophobicContact CG1-SD 4.11Å; V148-M150 PolarHBondContact O-N 2.91Å; M150-V152 VanDerWaalsContact C-N 3.31Å; M150-V152 PolarHBondContact O-N 3.09Å
151	P	38.8	Very low	38.7	Very low	127 Å²	127	136.5 Å²	136.5	83%	0.825	72%	0.722	S	S	*	*			trans	-61.1	102.9	169.6	24.2	-30.2	0	0	0	106.6	Q149 A153	Q149-P151 WeakPolarHBondContact O-CD 3.36Å; P151-A153 VanDerWaalsContact C-N 3.29Å; P151-A153 PolarHBondContact O-N 3.41Å
152	V	45	Very low	38.7	Very low	121 Å²	121	140.5 Å²	140.5	73%	0.733	73%	0.732	S	S	*	*			trans	-62.7	100.8	170.4	179.6	0	0	0	0	104.5	M150 Y154	M150-V152 VanDerWaalsContact C-N 3.31Å; M150-V152 PolarHBondContact O-N 3.09Å; V152-Y154 PolarHBondContact O-N 2.98Å
153	A	40.6	Very low	38.6	Very low	68 Å²	68	145.1 Å²	145.1	56%	0.562	74%	0.735	S	S	*	*			trans	-58.7	96.3	166.5	0	0	0	0	0	105.9	P151 Y155	P151-A153 VanDerWaalsContact C-N 3.29Å; P151-A153 PolarHBondContact O-N 3.41Å; A153-Y155 VanDerWaalsContact C-N 3.3Å; A153-Y155 HydrophobicContact CB-CD2 4.46Å; A153-Y155 HydrophobicContact CB-CE2 4.02Å; A153-Y155 WeakPolarHBondContact O-CD2 3.43Å; A153-Y155 PolarHBondContact O-N 3.44Å
154	Y	37	Very low	38.6	Very low	185 Å²	185	148.5 Å²	148.5	73%	0.725	74%	0.743	S	S	*	*			trans	-68	93.4	-179.5	-146.3	-91.7	0	0	0	106.2	V152 P156	V152-Y154 PolarHBondContact O-N 2.98Å; Y154-P156 WeakPolarHBondContact O-CD 3.48Å
155	Y	38.3	Very low	38.2	Very low	197 Å²	197	147 Å²	147	77%	0.773	75%	0.745	S	S	*	*			trans	-74.9	107.8	164.6	-71.8	-82.2	0	0	0	105.7	A153	A153-Y155 VanDerWaalsContact C-N 3.3Å; A153-Y155 HydrophobicContact CB-CD2 4.46Å; A153-Y155 HydrophobicContact CB-CE2 4.02Å; A153-Y155 WeakPolarHBondContact O-CD2 3.43Å; A153-Y155 PolarHBondContact O-N 3.44Å
156	P	37.3	Very low	37.8	Very low	98 Å²	98	145.7 Å²	145.7	64%	0.636	75%	0.751	S	S	*	*			trans	-57.4	136.9	173.3	25.9	-33	0	0	0	107.5	Y154 A158	Y154-P156 WeakPolarHBondContact O-CD 3.48Å; P156-A158 PolarHBondContact O-N 3.45Å
157	P	39.5	Very low	38	Very low	107 Å²	107	144.7 Å²	144.7	70%	0.695	75%	0.751	S	S	*	*			trans	-55	121.7	178.6	21.6	-30.6	0	0	0	107.3	V159	P157-V159 VanDerWaalsContact C-N 3.26Å; P157-V159 PolarHBondContact O-N 3Å
158	A	41	Very low	37.8	Very low	86 Å²	86	146 Å²	146	71%	0.711	75%	0.751	S	S	*	*			trans	-56.1	100.5	171.5	0	0	0	0	0	106.2	P156 Y160	P156-A158 PolarHBondContact O-N 3.45Å; A158-Y160 VanDerWaalsContact C-N 3.25Å; A158-Y160 PolarHBondContact O-N 3.48Å
159	V	40	Very low	37.8	Very low	131 Å²	131	148.6 Å²	148.6	79%	0.794	76%	0.761	S	S	*	*			trans	-60.6	99.8	175	179.1	0	0	0	0	104.6	P157 R161	P157-V159 VanDerWaalsContact C-N 3.26Å; P157-V159 PolarHBondContact O-N 3Å; V159-R161 PolarHBondContact O-N 3.16Å
160	Y	31.6	Very low	38	Very low	216 Å²	216	144 Å²	144	85%	0.847	76%	0.755	S	S	*	*			trans	-59.4	95.8	169.2	-105	-95.3	0	0	0	105.4	A158 R162	A158-Y160 VanDerWaalsContact C-N 3.25Å; A158-Y160 PolarHBondContact O-N 3.48Å; Y160-R162 PolarHBondContact O-N 3.18Å
161	R	34.5	Very low	38.4	Very low	200 Å²	200	144 Å²	144	76%	0.755	76%	0.763	S	S	*	*			trans	-57.5	97.4	160.4	-107.5	-172.3	178.9	-158.2	2.4	104.8	V159 R163	V159-R161 PolarHBondContact O-N 3.16Å; R161-R163 PolarHBondContact O-N 3.23Å
162	R	34.1	Very low	38.3	Very low	222 Å²	222	141 Å²	141	84%	0.838	76%	0.756	S	S	*	*			trans	-62.7	81.9	168.9	-175	-177.6	-69	-139.3	-0.3	106.8	Y160 L164	Y160-R162 PolarHBondContact O-N 3.18Å; R162-L164 PolarHBondContact O-N 3.24Å; R162-L164 VanDerWaalsContact O-N 3.17Å
163	R	38	Very low	38.4	Very low	204 Å²	204	143.5 Å²	143.5	77%	0.77	76%	0.764	S	S	*	*			trans	-73.7	103.2	162.4	-116.2	-177.7	-73.2	-120	4.9	105.4	R161 M165	R161-R163 PolarHBondContact O-N 3.23Å; R163-M165 PolarHBondContact O-N 3.33Å
164	L	39.6	Very low	38.6	Very low	144 Å²	144	148.5 Å²	148.5	75%	0.754	78%	0.78	S	S	*	*			trans	-44	126.2	165	-123.2	77.2	0	0	0	108.9	R162	R162-L164 PolarHBondContact O-N 3.24Å; R162-L164 VanDerWaalsContact O-N 3.17Å
165	M	34.3	Very low	39.2	Very low	186 Å²	186	144.5 Å²	144.5	92%	0.916	79%	0.786	S	S	*	*			trans	37.6	120.1	145	-72.8	-74.3	179.9	0	0	118.6	R163	R163-M165 PolarHBondContact O-N 3.33Å
166	G	33.2	Very low	39	Very low	65 Å²	65	138.8 Å²	138.8	67%	0.67	79%	0.787	S	S	*	*			trans	141	90.1	154.6	0	0	0	0	0	114
167	T	38.7	Very low	39.4	Very low	125 Å²	125	140.7 Å²	140.7	77%	0.767	80%	0.797	S	S	*	*			trans	35.7	120.9	142.2	56.3	0	0	0	0	120.5
168	N	37.1	Very low	39.5	Very low	143 Å²	143	140.8 Å²	140.8	77%	0.765	81%	0.806	S	S	*	*			trans	61.4	108.8	134.9	-64	-24.3	0	0	0	120.1
169	L	40.8	Very low	39.7	Very low	163 Å²	163	141.5 Å²	141.5	85%	0.853	81%	0.812	S	S	*	*				55.7	120.3	128.2	-57.6	175.3	0	0	0	119.5
170	A	42.2	Very low	39.5	Very low	94 Å²	94	139.3 Å²	139.3	78%	0.777	81%	0.808	S	S	*	*			trans	71.2	95	141.4	0	0	0	0	0	118.3
171	V	44.6	Very low	40	Very low	142 Å²	142	134.2 Å²	134.2	86%	0.861	80%	0.804	S	S	*	*			trans	-143.1	104.7	135.4	-174.9	0	0	0	0	107.5
172	G	37.4	Very low	40.6	Very low	65 Å²	65	134 Å²	134	67%	0.67	81%	0.814	S	S	*	*			trans	-76.5	148.8	155.7	0	0	0	0	0	109.2
173	L	47.5	Very low	41.3	Very low	172 Å²	172	131.4 Å²	131.4	90%	0.901	82%	0.816	S	S	*	*			trans	-171.8	127.6	142.2	-101.2	167.1	0	0	0	108.9
174	L	44.9	Very low	41.5	Very low	174 Å²	174	125.9 Å²	125.9	91%	0.911	81%	0.813	S	S	*	*			trans	-69.4	136.2	170.9	-71	148.4	0	0	0	109.9
175	A	49.3	Very low	42	Very low	101 Å²	101	125.7 Å²	125.7	84%	0.835	82%	0.818	S	S	*	*			trans	-154.7	103	151.9	0	0	0	0	0	108.3
176	G	33.2	Very low	42.4	Very low	77 Å²	77	128.2 Å²	128.2	79%	0.794	82%	0.817	S	S	*	*			trans	-74.8	143.8	165.5	0	0	0	0	0	110.2
177	T	46.6	Very low	43.1	Very low	138 Å²	138	129.1 Å²	129.1	85%	0.847	81%	0.811	S	S	*	*			trans	-144.4	111.5	144.8	49.8	0	0	0	0	107.5	A179	T177-A179 PolarHBondContact O-N 3.24Å
178	A	40.3	Very low	43.2	Very low	109 Å²	109	133.2 Å²	133.2	90%	0.901	81%	0.813	S	S	*	*			trans	-65.1	117.4	160.6	0	0	0	0	0	108.2
179	A	46.5	Very low	43.9	Very low	101 Å²	101	133.2 Å²	133.2	84%	0.835	81%	0.811	S	S	*	*			trans	-117	87.5	160	0	0	0	0	0	106.7	T177	T177-A179 PolarHBondContact O-N 3.24Å
180	A	35.2	Very low	43.9	Very low	84 Å²	84	133 Å²	133	69%	0.694	81%	0.81	S	S	*	*			trans	-67.5	159.5	164	0	0	0	0	0	109.9
181	S	41.9	Very low	43.9	Very low	109 Å²	109	139.3 Å²	139.3	76%	0.762	81%	0.814	S	S	*	*			trans	65.7	109.4	162.4	57.3	0	0	0	0	117.9
182	M	48.1	Very low	44.1	Very low	196 Å²	196	141.4 Å²	141.4	97%	0.966	83%	0.833	S	S	*	*				-149.6	105.9	117.1	-98.2	174.1	-166.3	0	0	108.3
183	L	48.1	Very low	44.4	Very low	168 Å²	168	145.3 Å²	145.3	88%	0.88	84%	0.841	S	S	*	*			trans	-68.4	145.3	168.8	-73.2	162.9	0	0	0	109.8
184	A	42.8	Very low	44.3	Very low	87 Å²	87	143.8 Å²	143.8	72%	0.719	84%	0.838	S	S	*	*			trans	59.4	97.8	143.8	0	0	0	0	0	118.7
185	V	48.6	Very low	44.2	Very low	140 Å²	140	142.2 Å²	142.2	85%	0.848	83%	0.834	S	S	*	*			trans	-139.9	78.9	135.5	-165.9	0	0	0	0	109
186	W	43	Very low	43.9	Very low	239 Å²	239	144.6 Å²	144.6	91%	0.905	83%	0.834	S	S	*	*				-84.2	145	128.6	-70	10.7	0	0	0	103.7
187	P	47.8	Very low	44.6	Very low	85 Å²	85	148.8 Å²	148.8	55%	0.552	84%	0.837	S	S	*	*			cis	-154.5	178.7	42.3	23	7.4	0	0	0	115.9
188	W	42.4	Very low	44.5	Very low	211 Å²	211	149.5 Å²	149.5	80%	0.799	84%	0.836	S	S	*	*			trans	73	120.4	163.8	-34.8	96.5	0	0	0	115.9
189	I	50.9	Low	44.8	Very low	142 Å²	142	152.4 Å²	152.4	73%	0.728	83%	0.831	S	S	*	*				-168.8	123.9	89.6	-78.8	148	0	0	0	103.8	W191	I189-W191 HydrophobicContact CG2-CB 3.56Å; I189-W191 HydrophobicContact CG2-CG 4.27Å
190	L	40.2	Very low	44.6	Very low	158 Å²	158	156.4 Å²	156.4	83%	0.827	83%	0.831	S	S	*	*			cis	39.6	64.7	32.6	-75.1	-177.9	0	0	0	113.5
191	W	42.9	Very low	45.4	Very low	227 Å²	227	162.4 Å²	162.4	86%	0.86	84%	0.843	S	S	*	*			trans	-156	124.6	145.3	-103.2	37.7	0	0	0	102.5	I189	I189-W191 HydrophobicContact CG2-CB 3.56Å; I189-W191 HydrophobicContact CG2-CG 4.27Å
192	C	48.1	Very low	45.7	Very low	187 Å²	187	167.3 Å²	167.3	100%	1.264	85%	0.85	S	S	*	*			cis	-143	0	19	-68.9	0	0	0	0	109.4

Retrieved 192 of 192 residues in 44.3 ms (Link to these results)

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