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CD302 antigen

Potential multifunctional C-type lectin receptor that may play roles in endocytosis and phagocytosis as well as in cell adhesion and migration.

AlphaFold DB , UniProt , Accession A0A096MN89, Species PAPAN (Papio anubis, Olive baboon), Gene CD302, Length 232 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.8	Very low	45.7	Very low	240 Å²	240	137.1 Å²	137.1	100%	1.182	83%	0.829	S	S	*	*				0	136.8	0	-72.9	172.1	168.2	0	0	107.2
2	P	45.5	Very low	45.9	Very low	117 Å²	117	134.6 Å²	134.6	76%	0.76	82%	0.818	S	S	*	*			cis	-109	146.9	12.3	4.6	20.5	0	0	0	114.2
3	L	37.8	Very low	46.1	Very low	161 Å²	161	137.5 Å²	137.5	84%	0.843	83%	0.825	S	S	*	*				69.3	106.9	110.6	-96.6	69.7	0	0	0	115.3
4	A	40.8	Very low	46.7	Very low	96 Å²	96	138.4 Å²	138.4	79%	0.793	82%	0.822	S	S	*	*				68.9	128.1	93.5	0	0	0	0	0	112.4
5	A	43.1	Very low	47.1	Very low	93 Å²	93	133.9 Å²	133.9	77%	0.769	82%	0.816	S	S	*	*			cis	-164.5	166.2	36.4	0	0	0	0	0	111.9
6	P	47.3	Very low	47.5	Very low	119 Å²	119	135.4 Å²	135.4	77%	0.773	82%	0.817	S	S	*	*			trans	-105.8	-177.7	154.5	39.3	-28.1	0	0	0	110.3
7	P	50.9	Low	47.6	Very low	111 Å²	111	133.3 Å²	133.3	72%	0.721	82%	0.817	S	S	*	*				-122.1	145.8	-52.4	33.9	-19.6	0	0	0	110.1	L9	P7-L9 PolarHBondContact O-N 3.46Å
8	A	47.2	Very low	47.7	Very low	97 Å²	97	130.7 Å²	130.7	80%	0.802	81%	0.811	S	S	*	*			trans	-97.9	88.3	173.3	0	0	0	0	0	110.5	L10	A8-L10 PolarHBondContact O-N 3.36Å
9	L	49	Very low	47.7	Very low	158 Å²	158	128.7 Å²	128.7	83%	0.827	81%	0.809	S	S	*	*			trans	-73.5	105.9	159.2	-79.7	165.4	0	0	0	107.7	P7	P7-L9 PolarHBondContact O-N 3.46Å
10	L	45.2	Very low	47.9	Very low	162 Å²	162	124.9 Å²	124.9	85%	0.848	79%	0.791	S	S	*	*			trans	-107.2	95.6	166.4	-77.2	167.3	0	0	0	108.1	A8	A8-L10 PolarHBondContact O-N 3.36Å
11	L	53.7	Low	48.3	Very low	154 Å²	154	123.6 Å²	123.6	81%	0.806	78%	0.781	S	S	*	*			trans	-93.7	122.9	157.5	-82.4	161.3	0	0	0	107	L13	L11-L13 PolarHBondContact O-N 3.21Å
12	P	48.1	Very low	49.5	Very low	107 Å²	107	113.5 Å²	113.5	70%	0.695	74%	0.736	S	S	*	*			trans	-73.2	113.7	170.7	29.5	-28	0	0	0	107.6	L14	P12-L14 VanDerWaalsContact C-N 3.3Å; P12-L14 PolarHBondContact O-N 2.96Å
13	L	48.5	Very low	51.3	Low	173 Å²	173	113.7 Å²	113.7	91%	0.906	73%	0.731	S	S	*	*			trans	-63.6	96.9	160.5	-84.8	154.5	0	0	0	106.9	L11 G15	L11-L13 PolarHBondContact O-N 3.21Å; L13-G15 PolarHBondContact O-N 3.14Å
14	L	54.8	Low	53.8	Low	149 Å²	149	107.1 Å²	107.1	78%	0.78	70%	0.698	S	S	*	*			trans	-61.4	98	157.2	-90.9	109.1	0	0	0	106.6	P12 L16	P12-L14 VanDerWaalsContact C-N 3.3Å; P12-L14 PolarHBondContact O-N 2.96Å; L14-L16 PolarHBondContact O-N 2.84Å
15	G	53	Low	56.1	Low	72 Å²	72	107.1 Å²	107.1	74%	0.742	69%	0.689	S	S	*	*			trans	-63.1	99.2	166.2	0	0	0	0	0	108.4	L13 A17	L13-G15 PolarHBondContact O-N 3.14Å; G15-A17 PolarHBondContact O-N 3.36Å
16	L	53.1	Low	58.3	Low	157 Å²	157	105.3 Å²	105.3	82%	0.822	67%	0.671	S	S	*	*			trans	-65.5	96.6	153.4	-94.8	80.4	0	0	0	106	L14 A18	L14-L16 PolarHBondContact O-N 2.84Å; L16-A18 PolarHBondContact O-N 3.35Å
17	A	49.8	Very low	60.2	Low	100 Å²	100	105.7 Å²	105.7	83%	0.826	68%	0.677	S	S	*	*			trans	-65.4	88.2	154.4	0	0	0	0	0	106.1	G15 A19	G15-A17 PolarHBondContact O-N 3.36Å; A17-A19 VanDerWaalsContact C-N 3.32Å; A17-A19 PolarHBondContact O-N 3.28Å
18	A	49.6	Very low	62.1	Low	86 Å²	86	104.9 Å²	104.9	71%	0.711	67%	0.67	S	S	*	*			trans	-63.3	103.4	162.2	0	0	0	0	0	105.6	L16 A20	L16-A18 PolarHBondContact O-N 3.35Å; A18-A20 PolarHBondContact O-N 3.32Å
19	A	47.3	Very low	64.3	Low	93 Å²	93	101.4 Å²	101.4	77%	0.769	64%	0.636	S	S	*	*			trans	-60.8	92.5	163.2	0	0	0	0	0	105.7	A17 V21	A17-A19 VanDerWaalsContact C-N 3.32Å; A17-A19 PolarHBondContact O-N 3.28Å; A19-V21 PolarHBondContact O-N 2.92Å; A19-V21 VanDerWaalsContact O-N 3.12Å
20	A	52.4	Low	66.4	Low	53 Å²	53	96.1 Å²	96.1	44%	0.438	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-68	118.6	-179.4	0	0	0	0	0	106.1	A18 A22 K162	A18-A20 PolarHBondContact O-N 3.32Å; A20-A22 PolarHBondContact O-N 3.49Å; A20-K162 WeakPolarHBondContact O-CD 3.41Å; A20-K162 WeakPolarHBondContact O-CE 3.2Å; A20-K162 PolarHBondContact O-NZ 3Å
21	V	54.8	Low	68.7	Low	98 Å²	98	92.2 Å²	92.2	59%	0.594	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-57.3	128.9	-177.1	-164.3	0	0	0	0	108.5	A19 K162	A19-V21 PolarHBondContact O-N 2.92Å; A19-V21 VanDerWaalsContact O-N 3.12Å; V21-K162 PolarHBondContact O-NZ 2.94Å
22	A	67.3	Low	70.7	Confident	28 Å²	28	87 Å²	87	23%	0.231	56%	0.556	C	S	.	*	P	Polyproline II helix	trans	-79.4	121.6	173.8	0	0	0	0	0	107.4	A20 I157 K162	A20-A22 PolarHBondContact O-N 3.49Å; A22-I157 HydrophobicContact CB-CG2 3.33Å; A22-K162 HydrophobicContact CB-CD 4.43Å
23	D	83.3	Confident	72.8	Confident	121 Å²	121	86.5 Å²	86.5	65%	0.647	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-101.8	161.2	-174.6	-61.4	-35.7	0	0	0	111
24	C	91.1	Very high	74.8	Confident	22 Å²	22	82.6 Å²	82.6	15%	0.149	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-66.4	160.7	177.1	-64.6	0	0	0	0	113.6	S26 W29 Q31 C36	C24-S26 VanDerWaalsContact C-N 3.25Å; C24-S26 PolarHBondContact O-N 3.42Å; C24-S26 VanDerWaalsContact O-N 3.12Å; C24-W29 HydrophobicContact CB-CB 3.49Å; C24-W29 VanDerWaalsContact CB-CB 3.49Å; C24-W29 HydrophobicContact CB-CG 4.22Å; C24-Q31 VanDerWaalsContact SG-CB 3.57Å; C24-C36 WeakPolarHBondContact CA-SG 3.36Å; C24-C36 HydrophobicContact CB-CB 3.8Å; C24-C36 WeakPolarHBondContact CB-SG 3.29Å; C24-C36 VanDerWaalsContact SG-CA 3.57Å; C24-C36 WeakPolarHBondContact SG-CB 3.32Å; C24-C36 CovalentContact SG-SG 2.03Å; C24-C36 PolarHBondContact SG-SG 2.92Å
25	P	88.1	Confident	76.7	Confident	96 Å²	96	77 Å²	77	62%	0.623	50%	0.496	S	S	*	.	S	Bend	trans	-57.7	-30.9	-171.6	-26.7	34.6	0	0	0	115.5	W29	P25-W29 HydrophobicContact CG-CD2 4.28Å; P25-W29 HydrophobicContact CG-CZ2 4.37Å
26	S	89.1	Confident	78.7	Confident	55 Å²	55	73.6 Å²	73.6	39%	0.385	46%	0.461	S	S	.	.	S	Bend	trans	-156.6	172.8	176.6	76.8	0	0	0	0	111.2	C24 T28 W29	C24-S26 VanDerWaalsContact C-N 3.25Å; C24-S26 PolarHBondContact O-N 3.42Å; C24-S26 VanDerWaalsContact O-N 3.12Å; S26-T28 PolarHBondContact O-N 2.95Å; S26-T28 VanDerWaalsContact O-N 3.17Å; S26-T28 PolarHBondContact OG-N 2.75Å; S26-W29 PolarHBondContact O-N 3.38Å; S26-W29 VanDerWaalsContact O-N 3.14Å; S26-W29 VanDerWaalsContact OG-CD1 3.26Å
27	S	88.5	Confident	80.8	Confident	127 Å²	127	66.3 Å²	66.3	89%	0.888	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-12.8	178.7	57.2	0	0	0	0	114.8	W29	S27-W29 VanDerWaalsContact C-N 3.3Å
28	T	90.2	Very high	82.9	Confident	94 Å²	94	62 Å²	62	58%	0.577	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-20	176.2	-44.3	0	0	0	0	111.6	S26 I38	S26-T28 PolarHBondContact O-N 2.95Å; S26-T28 VanDerWaalsContact O-N 3.17Å; S26-T28 PolarHBondContact OG-N 2.75Å; T28-I38 HydrophobicContact CG2-CD1 3.97Å; T28-I38 HydrophobicContact CG2-CG1 4.27Å
29	W	93.3	Very high	84.9	Confident	24 Å²	24	59.1 Å²	59.1	9%	0.091	36%	0.357	C	S	.	.	S	Bend	trans	-83.7	143.3	175.6	-62.6	76.5	0	0	0	110.3	C24 P25 S26 S27 C36 Y37 I38 H59 A61 T155	C24-W29 HydrophobicContact CB-CB 3.49Å; C24-W29 VanDerWaalsContact CB-CB 3.49Å; C24-W29 HydrophobicContact CB-CG 4.22Å; P25-W29 HydrophobicContact CG-CD2 4.28Å; P25-W29 HydrophobicContact CG-CZ2 4.37Å; S26-W29 PolarHBondContact O-N 3.38Å; S26-W29 VanDerWaalsContact O-N 3.14Å; S26-W29 VanDerWaalsContact OG-CD1 3.26Å; S27-W29 VanDerWaalsContact C-N 3.3Å; W29-C36 HydrophobicContact CB-CB 4.46Å; W29-C36 HydrophobicContact CD2-CB 4.37Å; W29-C36 HydrophobicContact CE3-CB 3.68Å; W29-C36 HydrophobicContact CZ3-CB 4.36Å; W29-Y37 CarbonylContact C-O 3.52Å; W29-Y37 VanDerWaalsContact CA-O 3.28Å; W29-Y37 WeakPolarHBondContact CA-O 3.26Å; W29-I38 HydrophobicContact CD2-CB 3.74Å; W29-I38 HydrophobicContact CD2-CD1 4.37Å; W29-I38 HydrophobicContact CD2-CG2 4.12Å; W29-I38 HydrophobicContact CE3-CB 3.65Å; W29-I38 HydrophobicContact CE3-CG2 3.78Å; W29-I38 HydrophobicContact CG-CB 4.32Å; W29-I38 HydrophobicContact CH2-CB 4.17Å; W29-I38 HydrophobicContact CH2-CG2 3.43Å; W29-I38 VanDerWaalsContact CH2-CG2 3.43Å; W29-I38 HydrophobicContact CZ2-CB 4.25Å; W29-I38 HydrophobicContact CZ2-CD1 4.32Å; W29-I38 HydrophobicContact CZ2-CG2 3.78Å; W29-I38 HydrophobicContact CZ3-CB 3.88Å; W29-I38 HydrophobicContact CZ3-CG2 3.44Å; W29-I38 VanDerWaalsContact CZ3-CG2 3.44Å; W29-H59 HydrophobicContact CH2-CB 4.35Å; W29-H59 HydrophobicContact CZ2-CB 4.16Å; W29-A61 HydrophobicContact CH2-CB 3.69Å; W29-A61 HydrophobicContact CZ3-CB 4.04Å; W29-T155 HydrophobicContact CE3-CG2 4.31Å; W29-T155 HydrophobicContact CH2-CG2 4.09Å; W29-T155 HydrophobicContact CZ3-CG2 3.68Å
30	I	93.7	Very high	86.9	Confident	47 Å²	47	55.2 Å²	55.2	24%	0.241	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.9	176	-53.4	169.7	0	0	0	106.7	Y37 F74 T78	I30-Y37 PolarHBondContact N-O 3.46Å; I30-Y37 WeakPolarHBondContact O-CD2 3.39Å; I30-Y37 PolarHBondContact O-N 2.9Å; I30-F74 HydrophobicContact CB-CZ 4.28Å; I30-F74 HydrophobicContact CG2-CE2 3.82Å; I30-F74 HydrophobicContact CG2-CZ 3.6Å; I30-T78 HydrophobicContact CD1-CG2 3.47Å; I30-T78 VanDerWaalsContact CD1-CG2 3.47Å
31	Q	93.9	Very high	88.5	Confident	80 Å²	80	57.4 Å²	57.4	37%	0.374	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	132.5	175.5	-173.8	170.3	1.5	0	0	110.1	C24 Q33 I157	C24-Q31 VanDerWaalsContact SG-CB 3.57Å; Q31-Q33 PolarHBondContact NE2-O 2.97Å; Q31-I157 HydrophobicContact CG-CD1 3.96Å
32	F	94.4	Very high	89.9	Confident	44 Å²	44	58.2 Å²	58.2	19%	0.193	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	119	165.6	178.5	-98.3	0	0	0	108.8	D34 N35 Y37 E70 E71 F74	F32-D34 PolarHBondContact O-N 3.5Å; F32-N35 PolarHBondContact N-O 3.37Å; F32-N35 PolarHBondContact O-N 3.02Å; F32-N35 VanDerWaalsContact O-N 3.16Å; F32-Y37 HydrophobicContact CB-CD2 4.08Å; F32-Y37 HydrophobicContact CB-CE2 3.67Å; F32-Y37 HydrophobicContact CD1-CE2 4.39Å; F32-E70 HydrophobicContact CZ-CB 4.19Å; F32-E71 HydrophobicContact CE1-CB 4Å; F32-E71 HydrophobicContact CE1-CG 4.48Å; F32-F74 HydrophobicContact CB-CD1 3.63Å; F32-F74 HydrophobicContact CB-CD2 4.08Å; F32-F74 HydrophobicContact CB-CE1 3.42Å; F32-F74 VanDerWaalsContact CB-CE1 3.42Å; F32-F74 HydrophobicContact CB-CE2 3.88Å; F32-F74 HydrophobicContact CB-CG 3.97Å; F32-F74 HydrophobicContact CB-CZ 3.56Å; F32-F74 HydrophobicContact CD1-CB 4.32Å; F32-F74 AromaticContact CD1-CD1 3.8Å; F32-F74 HydrophobicContact CD1-CD1 3.8Å; F32-F74 HydrophobicContact CD1-CE1 4.39Å; F32-F74 HydrophobicContact CD1-CG 4.06Å; F32-F74 HydrophobicContact CD2-CB 3.8Å; F32-F74 AromaticContact CD2-CD1 3.96Å; F32-F74 HydrophobicContact CD2-CD1 3.96Å; F32-F74 AromaticContact CD2-CD2 3.56Å; F32-F74 HydrophobicContact CD2-CD2 3.56Å; F32-F74 HydrophobicContact CD2-CE1 4.49Å; F32-F74 HydrophobicContact CD2-CE2 4.14Å; F32-F74 AromaticContact CD2-CG 3.46Å; F32-F74 HydrophobicContact CD2-CG 3.46Å; F32-F74 VanDerWaalsContact CD2-CG 3.46Å; F32-F74 HydrophobicContact CE1-CB 4.18Å; F32-F74 HydrophobicContact CE1-CD1 4.43Å; F32-F74 HydrophobicContact CE1-CG 4.42Å; F32-F74 HydrophobicContact CE2-CB 3.64Å; F32-F74 HydrophobicContact CE2-CD2 4.18Å; F32-F74 AromaticContact CE2-CG 3.87Å; F32-F74 HydrophobicContact CE2-CG 3.87Å; F32-F74 HydrophobicContact CG-CB 4.14Å; F32-F74 AromaticContact CG-CD1 3.52Å; F32-F74 HydrophobicContact CG-CD1 3.52Å; F32-F74 AromaticContact CG-CD2 3.94Å; F32-F74 HydrophobicContact CG-CD2 3.94Å; F32-F74 AromaticContact CG-CE1 3.89Å; F32-F74 HydrophobicContact CG-CE1 3.89Å; F32-F74 HydrophobicContact CG-CE2 4.26Å; F32-F74 AromaticContact CG-CG 3.56Å; F32-F74 HydrophobicContact CG-CG 3.56Å; F32-F74 HydrophobicContact CG-CZ 4.25Å; F32-F74 HydrophobicContact CZ-CB 3.83Å; F32-F74 HydrophobicContact CZ-CG 4.32Å
33	Q	92.4	Very high	90.7	Very high	97 Å²	97	60 Å²	60	45%	0.453	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	-131.1	-172.4	-54.7	177.5	1.2	0	0	111.3	Q31 N35	Q31-Q33 PolarHBondContact NE2-O 2.97Å; Q33-N35 VanDerWaalsContact C-N 3.25Å; Q33-N35 PolarHBondContact O-N 3.47Å
34	D	91.5	Very high	90.9	Very high	92 Å²	92	56 Å²	56	49%	0.492	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	13.4	-178.5	-61.9	-56.8	0	0	0	113.3	F32 I157	F32-D34 PolarHBondContact O-N 3.5Å; D34-I157 WeakPolarHBondContact O-CG1 3.4Å; D34-I157 PolarHBondContact O-N 3.47Å
35	N	94.6	Very high	90.7	Very high	30 Å²	30	62.5 Å²	62.5	16%	0.16	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	155.7	-176.6	-62	-59.1	0	0	0	112.4	F32 Q33 Y37 K154 T155 A156	F32-N35 PolarHBondContact N-O 3.37Å; F32-N35 PolarHBondContact O-N 3.02Å; F32-N35 VanDerWaalsContact O-N 3.16Å; Q33-N35 VanDerWaalsContact C-N 3.25Å; Q33-N35 PolarHBondContact O-N 3.47Å; N35-Y37 HydrophobicContact CB-CD2 4.44Å; N35-Y37 HydrophobicContact CB-CE2 3.53Å; N35-Y37 WeakPolarHBondContact CB-OH 3.3Å; N35-K154 HydrophobicContact CB-CG 4.3Å; N35-T155 WeakPolarHBondContact CA-O 3.14Å; N35-A156 WeakPolarHBondContact OD1-CA 3.43Å
36	C	95.3	Very high	90.7	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.014	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.3	173.5	-66	0	0	0	0	109.6	C24 W29 K154 T155 I157	C24-C36 WeakPolarHBondContact CA-SG 3.36Å; C24-C36 HydrophobicContact CB-CB 3.8Å; C24-C36 WeakPolarHBondContact CB-SG 3.29Å; C24-C36 VanDerWaalsContact SG-CA 3.57Å; C24-C36 WeakPolarHBondContact SG-CB 3.32Å; C24-C36 CovalentContact SG-SG 2.03Å; C24-C36 PolarHBondContact SG-SG 2.92Å; W29-C36 HydrophobicContact CB-CB 4.46Å; W29-C36 HydrophobicContact CD2-CB 4.37Å; W29-C36 HydrophobicContact CE3-CB 3.68Å; W29-C36 HydrophobicContact CZ3-CB 4.36Å; C36-K154 WeakPolarHBondContact O-CA 3.47Å; C36-T155 HydrophobicContact CB-CG2 3.95Å; C36-T155 PolarHBondContact N-O 2.84Å; C36-T155 PolarHBondContact O-N 2.81Å; C36-I157 WeakPolarHBondContact SG-CG1 3.08Å
37	Y	95.6	Very high	90.5	Very high	4 Å²	4	63 Å²	63	2%	0.016	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.9	-177.5	-57.1	-99.6	0	0	0	109.2	W29 I30 F32 N35 I64 E71 F74 I75 C153 K154	W29-Y37 CarbonylContact C-O 3.52Å; W29-Y37 VanDerWaalsContact CA-O 3.28Å; W29-Y37 WeakPolarHBondContact CA-O 3.26Å; I30-Y37 PolarHBondContact N-O 3.46Å; I30-Y37 WeakPolarHBondContact O-CD2 3.39Å; I30-Y37 PolarHBondContact O-N 2.9Å; F32-Y37 HydrophobicContact CB-CD2 4.08Å; F32-Y37 HydrophobicContact CB-CE2 3.67Å; F32-Y37 HydrophobicContact CD1-CE2 4.39Å; N35-Y37 HydrophobicContact CB-CD2 4.44Å; N35-Y37 HydrophobicContact CB-CE2 3.53Å; N35-Y37 WeakPolarHBondContact CB-OH 3.3Å; Y37-I64 HydrophobicContact CD1-CD1 3.65Å; Y37-I64 HydrophobicContact CE1-CD1 3.52Å; Y37-E71 PolarHBondContact OH-OE1 3.08Å; Y37-F74 HydrophobicContact CD1-CE1 4.36Å; Y37-F74 AromaticContact CD2-CE1 3.68Å; Y37-F74 HydrophobicContact CD2-CE1 3.68Å; Y37-F74 HydrophobicContact CD2-CZ 4.24Å; Y37-F74 AromaticContact CE2-CE1 3.98Å; Y37-F74 HydrophobicContact CE2-CE1 3.98Å; Y37-F74 AromaticContact CG-CE1 3.91Å; Y37-F74 HydrophobicContact CG-CE1 3.91Å; Y37-I75 HydrophobicContact CD1-CD1 3.5Å; Y37-I75 HydrophobicContact CE1-CD1 3.76Å; Y37-I75 HydrophobicContact CG-CD1 4.21Å; Y37-C153 VanDerWaalsContact CA-O 3.29Å; Y37-C153 WeakPolarHBondContact CA-O 3.44Å; Y37-K154 HydrophobicContact CD1-CB 4.15Å; Y37-K154 HydrophobicContact CD1-CG 4.2Å; Y37-K154 HydrophobicContact CE1-CB 4.16Å; Y37-K154 HydrophobicContact CE1-CD 3.75Å; Y37-K154 HydrophobicContact CE1-CG 3.79Å
38	I	93.8	Very high	90.4	Very high	9 Å²	9	59.1 Å²	59.1	5%	0.046	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	140.5	171.1	-171.6	167.8	0	0	0	108.9	T28 W29 L40 C153	T28-I38 HydrophobicContact CG2-CD1 3.97Å; T28-I38 HydrophobicContact CG2-CG1 4.27Å; W29-I38 HydrophobicContact CD2-CB 3.74Å; W29-I38 HydrophobicContact CD2-CD1 4.37Å; W29-I38 HydrophobicContact CD2-CG2 4.12Å; W29-I38 HydrophobicContact CE3-CB 3.65Å; W29-I38 HydrophobicContact CE3-CG2 3.78Å; W29-I38 HydrophobicContact CG-CB 4.32Å; W29-I38 HydrophobicContact CH2-CB 4.17Å; W29-I38 HydrophobicContact CH2-CG2 3.43Å; W29-I38 VanDerWaalsContact CH2-CG2 3.43Å; W29-I38 HydrophobicContact CZ2-CB 4.25Å; W29-I38 HydrophobicContact CZ2-CD1 4.32Å; W29-I38 HydrophobicContact CZ2-CG2 3.78Å; W29-I38 HydrophobicContact CZ3-CB 3.88Å; W29-I38 HydrophobicContact CZ3-CG2 3.44Å; W29-I38 VanDerWaalsContact CZ3-CG2 3.44Å; I38-L40 HydrophobicContact CD1-CD2 3.93Å; I38-L40 HydrophobicContact CG1-CD2 3.99Å; I38-L40 HydrophobicContact CG2-CD2 4.47Å; I38-C153 HydrophobicContact CG2-CB 3.71Å; I38-C153 PolarHBondContact N-O 2.67Å; I38-C153 PolarHBondContact O-N 3.3Å
39	F	91.8	Very high	90.4	Very high	25 Å²	25	55.4 Å²	55.4	11%	0.11	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	112.7	178.4	-169.3	-128.3	0	0	0	109.8	Q41 L79 W83 I89 T151 L152	F39-Q41 HydrophobicContact CD1-CG 3.58Å; F39-Q41 HydrophobicContact CE1-CG 3.57Å; F39-Q41 HydrophobicContact CZ-CG 4.46Å; F39-L79 HydrophobicContact CD1-CD2 4.49Å; F39-L79 HydrophobicContact CD2-CD2 4.07Å; F39-L79 HydrophobicContact CE1-CD2 3.98Å; F39-L79 HydrophobicContact CE2-CD2 3.57Å; F39-L79 HydrophobicContact CZ-CD2 3.49Å; F39-L79 VanDerWaalsContact CZ-CD2 3.49Å; F39-W83 HydrophobicContact CD1-CE3 4.41Å; F39-W83 HydrophobicContact CE1-CB 3.77Å; F39-W83 AromaticContact CE1-CD2 3.7Å; F39-W83 HydrophobicContact CE1-CD2 3.7Å; F39-W83 AromaticContact CE1-CE3 3.11Å; F39-W83 HydrophobicContact CE1-CE3 3.11Å; F39-W83 HydrophobicContact CE1-CG 4.05Å; F39-W83 AromaticContact CE1-CZ3 3.74Å; F39-W83 HydrophobicContact CE1-CZ3 3.74Å; F39-W83 HydrophobicContact CE2-CE3 4.3Å; F39-W83 HydrophobicContact CE2-CZ3 4.31Å; F39-W83 HydrophobicContact CZ-CB 4.06Å; F39-W83 AromaticContact CZ-CD2 3.42Å; F39-W83 HydrophobicContact CZ-CD2 3.42Å; F39-W83 VanDerWaalsContact CZ-CD2 3.42Å; F39-W83 AromaticContact CZ-CE3 3.03Å; F39-W83 HydrophobicContact CZ-CE3 3.03Å; F39-W83 AromaticContact CZ-CG 3.95Å; F39-W83 HydrophobicContact CZ-CG 3.95Å; F39-W83 HydrophobicContact CZ-CH2 4.06Å; F39-W83 AromaticContact CZ-CZ3 3.34Å; F39-W83 HydrophobicContact CZ-CZ3 3.34Å; F39-I89 HydrophobicContact CE2-CD1 4.36Å; F39-I89 HydrophobicContact CZ-CD1 4.19Å; F39-T151 VanDerWaalsContact CD2-O 3.3Å; F39-T151 WeakPolarHBondContact CD2-O 3.15Å; F39-L152 HydrophobicContact CB-CD1 4.07Å; F39-L152 HydrophobicContact CD2-CB 4Å; F39-L152 HydrophobicContact CD2-CD1 3.81Å; F39-L152 HydrophobicContact CD2-CG 4.48Å; F39-L152 HydrophobicContact CE2-CB 4.36Å; F39-L152 HydrophobicContact CG-CD1 4.35Å
40	L	90.3	Very high	90.3	Very high	11 Å²	11	60 Å²	60	6%	0.058	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	101	-178	-55.8	178.3	0	0	0	107.5	I38 E42 Q55 G150 T151	I38-L40 HydrophobicContact CD1-CD2 3.93Å; I38-L40 HydrophobicContact CG1-CD2 3.99Å; I38-L40 HydrophobicContact CG2-CD2 4.47Å; L40-E42 PolarHBondContact O-N 3.45Å; L40-Q55 HydrophobicContact CD1-CB 4.14Å; L40-G150 CarbonylContact O-C 3.46Å; L40-G150 WeakPolarHBondContact O-CA 3.37Å; L40-T151 HydrophobicContact CB-CG2 3.8Å; L40-T151 HydrophobicContact CD1-CG2 3.87Å; L40-T151 HydrophobicContact CG-CG2 4.22Å; L40-T151 PolarHBondContact N-O 2.74Å; L40-T151 PolarHBondContact O-N 3.37Å
41	Q	86.1	Confident	90.2	Very high	100 Å²	100	60.4 Å²	60.4	47%	0.467	30%	0.303	S	S	.	.			trans	-83.9	53.6	177.1	-61.3	-173	17	0	0	110.7	F39 Q82 W83	F39-Q41 HydrophobicContact CD1-CG 3.58Å; F39-Q41 HydrophobicContact CE1-CG 3.57Å; F39-Q41 HydrophobicContact CZ-CG 4.46Å; Q41-Q82 PolarHBondContact NE2-O 2.85Å; Q41-W83 HydrophobicContact CG-CE3 4.1Å; Q41-W83 HydrophobicContact CG-CZ3 4.19Å
42	E	83.9	Confident	90.1	Very high	115 Å²	115	56.6 Å²	56.6	54%	0.537	29%	0.285	S	S	.	.			trans	-111.4	110.6	-179	-64.5	-170.1	-168.1	0	0	109.2	L40 I44	L40-E42 PolarHBondContact O-N 3.45Å; E42-I44 PolarHBondContact O-N 3.47Å
43	A	84.9	Confident	90.1	Very high	64 Å²	64	57.5 Å²	57.5	53%	0.529	29%	0.287	S	S	.	.			trans	-66.3	111.2	173.5	0	0	0	0	0	110	F147 V148	A43-F147 HydrophobicContact CB-CE1 4.37Å; A43-F147 HydrophobicContact CB-CE2 3.81Å; A43-F147 HydrophobicContact CB-CZ 3.43Å; A43-F147 VanDerWaalsContact CB-CZ 3.43Å; A43-V148 WeakPolarHBondContact CA-O 3.37Å
44	I	86.3	Confident	90.1	Very high	39 Å²	39	56.5 Å²	56.5	20%	0.2	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	148.4	177.3	64.1	153	0	0	0	111.5	E42 V46 Q55 F147 V148	E42-I44 PolarHBondContact O-N 3.47Å; I44-V46 HydrophobicContact CD1-CG2 3.73Å; I44-V46 HydrophobicContact CG1-CG2 3.73Å; I44-Q55 HydrophobicContact CD1-CG 4.24Å; I44-F147 WeakPolarHBondContact O-CA 3.49Å; I44-F147 VanDerWaalsContact O-CD2 3.3Å; I44-F147 WeakPolarHBondContact O-CD2 3.5Å; I44-V148 PolarHBondContact N-O 3.44Å; I44-V148 PolarHBondContact O-N 3.01Å; I44-V148 VanDerWaalsContact O-N 3.09Å
45	K	87.4	Confident	90.2	Very high	158 Å²	158	53.2 Å²	53.2	69%	0.687	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	132.6	162.4	-170.1	-172.9	176.6	-156.7	0	107.5	S146	K45-S146 WeakPolarHBondContact CA-O 3.21Å; K45-S146 WeakPolarHBondContact CG-O 3.18Å
46	V	87.4	Confident	90.2	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.024	26%	0.258	C	S	.	.			trans	-121.5	134.4	-174.2	-164.2	0	0	0	0	107.6	I44 S48 D51 V52 V145 S146 V148	I44-V46 HydrophobicContact CD1-CG2 3.73Å; I44-V46 HydrophobicContact CG1-CG2 3.73Å; V46-S48 WeakPolarHBondContact CG1-O 3.44Å; V46-D51 HydrophobicContact CG1-CB 3.9Å; V46-V52 HydrophobicContact CB-CG2 4.44Å; V46-V52 HydrophobicContact CG1-CG2 3.54Å; V46-V52 HydrophobicContact CG2-CG2 3.97Å; V46-V145 WeakPolarHBondContact CB-O 3.39Å; V46-S146 PolarHBondContact N-O 3.29Å; V46-S146 VanDerWaalsContact N-O 3.11Å; V46-V148 HydrophobicContact CG2-CB 3.89Å; V46-V148 HydrophobicContact CG2-CG2 3.69Å
47	E	84.8	Confident	90.2	Very high	158 Å²	158	54.4 Å²	54.4	74%	0.738	28%	0.275	S	S	*	.	S	Bend	trans	-100.6	-32.3	170.4	-61.1	-168.3	165.5	0	0	110.5	D51	E47-D51 PolarHBondContact N-OD2 2.89Å
48	S	87.6	Confident	90.1	Very high	45 Å²	45	60.7 Å²	60.7	32%	0.315	31%	0.308	S	S	.	.	S	Bend	trans	-144.9	159.2	174.2	70.7	0	0	0	0	111.8	V46 E50 D51	V46-S48 WeakPolarHBondContact CG1-O 3.44Å; S48-E50 PolarHBondContact O-N 3.43Å; S48-E50 PolarHBondContact OG-N 3.48Å; S48-D51 PolarHBondContact N-OD2 3.43Å; S48-D51 WeakPolarHBondContact O-CB 3.39Å; S48-D51 PolarHBondContact O-N 2.86Å
49	I	90.5	Very high	90	Very high	15 Å²	15	64.5 Å²	64.5	8%	0.077	33%	0.326	C	S	.	.	H	α-helix	trans	-55.2	-25.6	174.5	-175.4	157.5	0	0	0	113.2	D51 V52 R53 M63 L90 F105 C128	I49-D51 PolarHBondContact O-N 3.44Å; I49-V52 WeakPolarHBondContact O-CB 3.44Å; I49-V52 PolarHBondContact O-N 2.91Å; I49-V52 VanDerWaalsContact O-N 3.08Å; I49-R53 PolarHBondContact O-N 2.91Å; I49-M63 HydrophobicContact CD1-CE 4.07Å; I49-M63 HydrophobicContact CD1-SD 4.38Å; I49-M63 HydrophobicContact CG1-CE 4.05Å; I49-M63 HydrophobicContact CG1-SD 3.99Å; I49-L90 HydrophobicContact CD1-CD1 4.1Å; I49-L90 HydrophobicContact CD1-CD2 3.89Å; I49-L90 HydrophobicContact CD1-CG 4.18Å; I49-L90 HydrophobicContact CG1-CD2 4.03Å; I49-F105 HydrophobicContact CD1-CE2 3.49Å; I49-F105 VanDerWaalsContact CD1-CE2 3.49Å; I49-F105 HydrophobicContact CD1-CZ 4.07Å; I49-F105 HydrophobicContact CG1-CE2 3.73Å; I49-F105 HydrophobicContact CG1-CZ 4.03Å; I49-F105 HydrophobicContact CG2-CE2 4.26Å; I49-F105 HydrophobicContact CG2-CZ 3.68Å; I49-C128 HydrophobicContact CD1-CB 4.25Å; I49-C128 WeakPolarHBondContact CD1-SG 3.23Å
50	E	90.7	Very high	90.1	Very high	121 Å²	121	66 Å²	66	57%	0.565	35%	0.349	S	S	*	.	H	α-helix	trans	-61.1	-31.6	174.8	-59.5	-165.1	158.9	0	0	112.6	S48 V52 R53 N54	S48-E50 PolarHBondContact O-N 3.43Å; S48-E50 PolarHBondContact OG-N 3.48Å; E50-V52 VanDerWaalsContact C-N 3.29Å; E50-V52 PolarHBondContact O-N 3.3Å; E50-R53 WeakPolarHBondContact O-CB 3.35Å; E50-R53 PolarHBondContact O-N 3.44Å; E50-N54 WeakPolarHBondContact O-CB 3.39Å; E50-N54 PolarHBondContact O-N 3.5Å; E50-N54 PolarHBondContact O-ND2 2.99Å
51	D	91.2	Very high	90.3	Very high	56 Å²	56	66 Å²	66	30%	0.299	35%	0.35	S	S	.	.	H	α-helix	trans	-65.8	-35.8	175.5	-60.2	-42.2	0	0	0	111.4	V46 E47 S48 I49 N54 Q55	V46-D51 HydrophobicContact CG1-CB 3.9Å; E47-D51 PolarHBondContact N-OD2 2.89Å; S48-D51 PolarHBondContact N-OD2 3.43Å; S48-D51 WeakPolarHBondContact O-CB 3.39Å; S48-D51 PolarHBondContact O-N 2.86Å; I49-D51 PolarHBondContact O-N 3.44Å; D51-N54 PolarHBondContact O-N 3.27Å; D51-Q55 PolarHBondContact O-N 2.96Å
52	V	91.6	Very high	90.8	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-69.1	-39.3	174.4	-170	0	0	0	0	110.3	V46 I49 E50 N54 Q55 M63 L90 V148 T151	V46-V52 HydrophobicContact CB-CG2 4.44Å; V46-V52 HydrophobicContact CG1-CG2 3.54Å; V46-V52 HydrophobicContact CG2-CG2 3.97Å; I49-V52 WeakPolarHBondContact O-CB 3.44Å; I49-V52 PolarHBondContact O-N 2.91Å; I49-V52 VanDerWaalsContact O-N 3.08Å; E50-V52 VanDerWaalsContact C-N 3.29Å; E50-V52 PolarHBondContact O-N 3.3Å; V52-N54 VanDerWaalsContact C-N 3.32Å; V52-Q55 PolarHBondContact O-N 2.9Å; V52-M63 HydrophobicContact CB-CE 4.19Å; V52-M63 HydrophobicContact CB-SD 4.44Å; V52-M63 HydrophobicContact CG1-CE 3.87Å; V52-L90 HydrophobicContact CB-CD2 4.25Å; V52-L90 HydrophobicContact CG1-CD2 4.16Å; V52-L90 HydrophobicContact CG2-CD2 3.98Å; V52-V148 HydrophobicContact CG2-CG2 4.03Å; V52-T151 HydrophobicContact CG1-CG2 4.47Å; V52-T151 WeakPolarHBondContact CG1-OG1 3.29Å
53	R	93.9	Very high	91.4	Very high	63 Å²	63	57 Å²	57	24%	0.238	31%	0.308	C	S	.	.	H	α-helix	trans	-61.6	-42.1	174	-174.2	-179.4	-175.7	-177.5	2.7	111.9	I49 E50 Q55 C56 T57 D62 M63 F105	I49-R53 PolarHBondContact O-N 2.91Å; E50-R53 WeakPolarHBondContact O-CB 3.35Å; E50-R53 PolarHBondContact O-N 3.44Å; R53-Q55 PolarHBondContact O-N 3.19Å; R53-C56 WeakPolarHBondContact O-CA 3.29Å; R53-C56 WeakPolarHBondContact O-CB 3.38Å; R53-C56 PolarHBondContact O-N 2.92Å; R53-T57 HydrophobicContact CG-CG2 4.19Å; R53-T57 PolarHBondContact O-N 2.96Å; R53-D62 WeakPolarHBondContact CG-OD1 3.14Å; R53-D62 IonicContact CZ-OD1 2.6Å; R53-D62 IonicContact CZ-OD2 2.68Å; R53-D62 IonicContact NE-OD1 2.79Å; R53-D62 PolarHBondContact NE-OD1 3.49Å; R53-D62 IonicContact NE-OD2 3.81Å; R53-D62 PolarHBondContact NE-OD2 3.36Å; R53-D62 IonicContact NH2-OD1 2.64Å; R53-D62 IonicContact NH2-OD2 3.12Å; R53-D62 PolarHBondContact NH2-OD2 3.38Å; R53-M63 HydrophobicContact CB-CG 3.93Å; R53-M63 HydrophobicContact CB-SD 3.74Å; R53-M63 HydrophobicContact CG-CG 4.14Å; R53-M63 HydrophobicContact CG-SD 4.4Å; R53-F105 PolarHBondContact NH2-O 2.81Å
54	N	93.3	Very high	92	Very high	75 Å²	75	53.9 Å²	53.9	40%	0.401	28%	0.283	S	S	.	.	H	α-helix	trans	-58.4	-37.8	-178.4	-72.3	-27.4	0	0	0	112	E50 D51 V52 C56 T57 D58	E50-N54 WeakPolarHBondContact O-CB 3.39Å; E50-N54 PolarHBondContact O-N 3.5Å; E50-N54 PolarHBondContact O-ND2 2.99Å; D51-N54 PolarHBondContact O-N 3.27Å; V52-N54 VanDerWaalsContact C-N 3.32Å; N54-C56 VanDerWaalsContact C-N 3.28Å; N54-C56 PolarHBondContact O-N 2.94Å; N54-T57 VanDerWaalsContact CA-OG1 3.27Å; N54-T57 WeakPolarHBondContact CA-OG1 3.4Å; N54-T57 PolarHBondContact O-N 3.32Å; N54-T57 PolarHBondContact O-OG1 2.95Å; N54-D58 WeakPolarHBondContact O-CB 3.42Å; N54-D58 VanDerWaalsContact O-CG 3.23Å; N54-D58 PolarHBondContact O-N 2.75Å
55	Q	92.8	Very high	92.5	Very high	23 Å²	23	52 Å²	52	11%	0.107	27%	0.274	C	S	.	.	H	α-helix	trans	-56.5	-41	172.2	-73.7	-160.3	58.6	0	0	112.8	L40 I44 D51 V52 R53 H59 T151	L40-Q55 HydrophobicContact CD1-CB 4.14Å; I44-Q55 HydrophobicContact CD1-CG 4.24Å; D51-Q55 PolarHBondContact O-N 2.96Å; V52-Q55 PolarHBondContact O-N 2.9Å; R53-Q55 PolarHBondContact O-N 3.19Å; Q55-H59 PolarHBondContact O-CD2 2.92Å; Q55-T151 HydrophobicContact CB-CG2 4Å
56	C	95	Very high	93	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-72.3	-40.3	177.8	-64.9	0	0	0	0	111.8	R53 N54 D58 H59 G60 A61 D62 C153	R53-C56 WeakPolarHBondContact O-CA 3.29Å; R53-C56 WeakPolarHBondContact O-CB 3.38Å; R53-C56 PolarHBondContact O-N 2.92Å; N54-C56 VanDerWaalsContact C-N 3.28Å; N54-C56 PolarHBondContact O-N 2.94Å; C56-D58 VanDerWaalsContact C-N 3.32Å; C56-D58 PolarHBondContact O-N 2.89Å; C56-H59 CarbonylContact O-C 3.57Å; C56-H59 WeakPolarHBondContact O-CA 3.3Å; C56-H59 PolarHBondContact O-N 3.5Å; C56-G60 PolarHBondContact O-N 3.48Å; C56-A61 CarbonylContact C-O 3.54Å; C56-A61 VanDerWaalsContact C-O 3.24Å; C56-A61 CarbonylContact O-C 3.47Å; C56-A61 WeakPolarHBondContact O-CA 3.47Å; C56-A61 PolarHBondContact O-N 3.01Å; C56-A61 VanDerWaalsContact O-O 3.12Å; C56-D62 VanDerWaalsContact CB-C 3.45Å; C56-C153 WeakPolarHBondContact CA-SG 3.49Å; C56-C153 HydrophobicContact CB-CB 3.57Å; C56-C153 WeakPolarHBondContact CB-SG 3.31Å; C56-C153 VanDerWaalsContact SG-CA 3.53Å; C56-C153 WeakPolarHBondContact SG-CB 3.37Å; C56-C153 CovalentContact SG-SG 2.04Å; C56-C153 PolarHBondContact SG-SG 3.36Å
57	T	95.3	Very high	93.4	Very high	57 Å²	57	46.4 Å²	46.4	35%	0.35	25%	0.249	S	C	.	.	H	α-helix	trans	-68	-31.8	-179.5	59	0	0	0	0	113	R53 N54 H59 G60 A61	R53-T57 HydrophobicContact CG-CG2 4.19Å; R53-T57 PolarHBondContact O-N 2.96Å; N54-T57 VanDerWaalsContact CA-OG1 3.27Å; N54-T57 WeakPolarHBondContact CA-OG1 3.4Å; N54-T57 PolarHBondContact O-N 3.32Å; N54-T57 PolarHBondContact O-OG1 2.95Å; T57-H59 PolarHBondContact O-N 3Å; T57-G60 PolarHBondContact O-N 3.31Å; T57-A61 WeakPolarHBondContact CA-O 3.43Å; T57-A61 PolarHBondContact N-O 3.29Å
58	D	93.8	Very high	94	Very high	136 Å²	136	40.8 Å²	40.8	73%	0.727	22%	0.224	S	C	*	.	H	α-helix	trans	-61.7	-24.4	173	-74.3	-13	0	0	0	112.1	N54 C56	N54-D58 WeakPolarHBondContact O-CB 3.42Å; N54-D58 VanDerWaalsContact O-CG 3.23Å; N54-D58 PolarHBondContact O-N 2.75Å; C56-D58 VanDerWaalsContact C-N 3.32Å; C56-D58 PolarHBondContact O-N 2.89Å
59	H	92.3	Very high	94.5	Very high	90 Å²	90	43 Å²	43	42%	0.417	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	7	175.1	-73.6	-105.8	0	0	0	113.8	W29 Q55 C56 T57 A61	W29-H59 HydrophobicContact CH2-CB 4.35Å; W29-H59 HydrophobicContact CZ2-CB 4.16Å; Q55-H59 PolarHBondContact O-CD2 2.92Å; C56-H59 CarbonylContact O-C 3.57Å; C56-H59 WeakPolarHBondContact O-CA 3.3Å; C56-H59 PolarHBondContact O-N 3.5Å; T57-H59 PolarHBondContact O-N 3Å; H59-A61 VanDerWaalsContact C-N 3.3Å
60	G	92.5	Very high	94.9	Very high	57 Å²	57	47.9 Å²	47.9	59%	0.588	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	25.8	-177	0	0	0	0	0	113.8	C56 T57 T155	C56-G60 PolarHBondContact O-N 3.48Å; T57-G60 PolarHBondContact O-N 3.31Å; G60-T155 PolarHBondContact O-OG1 2.9Å
61	A	95.2	Very high	95.2	Very high	9 Å²	9	42.2 Å²	42.2	7%	0.074	23%	0.226	C	C	.	.			trans	-122.1	-179.4	175.5	0	0	0	0	0	110.9	W29 C56 T57 H59 C153 K154 T155	W29-A61 HydrophobicContact CH2-CB 3.69Å; W29-A61 HydrophobicContact CZ3-CB 4.04Å; C56-A61 CarbonylContact C-O 3.54Å; C56-A61 VanDerWaalsContact C-O 3.24Å; C56-A61 CarbonylContact O-C 3.47Å; C56-A61 WeakPolarHBondContact O-CA 3.47Å; C56-A61 PolarHBondContact O-N 3.01Å; C56-A61 VanDerWaalsContact O-O 3.12Å; T57-A61 WeakPolarHBondContact CA-O 3.43Å; T57-A61 PolarHBondContact N-O 3.29Å; H59-A61 VanDerWaalsContact C-N 3.3Å; A61-C153 HydrophobicContact CB-CB 3.88Å; A61-K154 VanDerWaalsContact CB-O 3.32Å; A61-K154 WeakPolarHBondContact CB-O 3.39Å; A61-T155 HydrophobicContact CB-CG2 4.45Å
62	D	96.7	Very high	95.5	Very high	24 Å²	24	39.6 Å²	39.6	13%	0.128	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	174.1	165.7	-143.8	-40.4	0	0	0	109.1	R53 C56 D106 C153 K154	R53-D62 WeakPolarHBondContact CG-OD1 3.14Å; R53-D62 IonicContact CZ-OD1 2.6Å; R53-D62 IonicContact CZ-OD2 2.68Å; R53-D62 IonicContact NE-OD1 2.79Å; R53-D62 PolarHBondContact NE-OD1 3.49Å; R53-D62 IonicContact NE-OD2 3.81Å; R53-D62 PolarHBondContact NE-OD2 3.36Å; R53-D62 IonicContact NH2-OD1 2.64Å; R53-D62 IonicContact NH2-OD2 3.12Å; R53-D62 PolarHBondContact NH2-OD2 3.38Å; C56-D62 VanDerWaalsContact CB-C 3.45Å; D62-D106 HydrophobicContact CB-CB 3.9Å; D62-C153 CarbonylContact O-C 3.59Å; D62-C153 WeakPolarHBondContact O-CA 3.28Å; D62-K154 PolarHBondContact N-O 2.85Å; D62-K154 PolarHBondContact O-N 2.88Å
63	M	95.9	Very high	95.8	Very high	2 Å²	2	42 Å²	42	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	154.9	172.3	-64.5	-178.2	71.2	0	0	111	I49 V52 R53 S65 L90 L91 F105	I49-M63 HydrophobicContact CD1-CE 4.07Å; I49-M63 HydrophobicContact CD1-SD 4.38Å; I49-M63 HydrophobicContact CG1-CE 4.05Å; I49-M63 HydrophobicContact CG1-SD 3.99Å; V52-M63 HydrophobicContact CB-CE 4.19Å; V52-M63 HydrophobicContact CB-SD 4.44Å; V52-M63 HydrophobicContact CG1-CE 3.87Å; R53-M63 HydrophobicContact CB-CG 3.93Å; R53-M63 HydrophobicContact CB-SD 3.74Å; R53-M63 HydrophobicContact CG-CG 4.14Å; R53-M63 HydrophobicContact CG-SD 4.4Å; M63-S65 PolarHBondContact O-N 3.25Å; M63-L90 HydrophobicContact CE-CD2 3.82Å; M63-L90 HydrophobicContact CE-CG 3.94Å; M63-L91 WeakPolarHBondContact CE-O 3.29Å; M63-F105 HydrophobicContact SD-CD2 3.83Å; M63-F105 HydrophobicContact SD-CE2 4.16Å
64	I	97.1	Very high	95.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.226	C	C	.	.			trans	-57.3	126.8	-177.1	-176.5	65.1	0	0	0	112.8	Y37 I66 I75 L91 G92 W104 L152 K154	Y37-I64 HydrophobicContact CD1-CD1 3.65Å; Y37-I64 HydrophobicContact CE1-CD1 3.52Å; I64-I66 HydrophobicContact CG1-CG1 4.06Å; I64-I75 HydrophobicContact CD1-CD1 3.9Å; I64-I75 HydrophobicContact CD1-CG1 4.32Å; I64-L91 HydrophobicContact CG2-CD2 3.64Å; I64-G92 WeakPolarHBondContact O-CA 3.5Å; I64-G92 PolarHBondContact O-N 2.71Å; I64-W104 VanDerWaalsContact O-CZ3 3.24Å; I64-W104 WeakPolarHBondContact O-CZ3 3.46Å; I64-L152 HydrophobicContact CB-CB 4.1Å; I64-L152 HydrophobicContact CB-CD2 4.01Å; I64-L152 HydrophobicContact CB-CG 3.94Å; I64-L152 WeakPolarHBondContact CB-O 3.27Å; I64-L152 HydrophobicContact CD1-CD2 4.11Å; I64-L152 HydrophobicContact CD1-CG 4.31Å; I64-L152 HydrophobicContact CG1-CD2 3.79Å; I64-L152 HydrophobicContact CG1-CG 4.17Å; I64-L152 HydrophobicContact CG2-CB 4.02Å; I64-L152 HydrophobicContact CG2-CD2 4.19Å; I64-L152 HydrophobicContact CG2-CG 4.31Å; I64-L152 PolarHBondContact N-O 3Å; I64-K154 HydrophobicContact CD1-CB 4.05Å; I64-K154 HydrophobicContact CD1-CD 4.11Å
65	S	97.4	Very high	96.1	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.			trans	-112	145.4	164.1	58.2	0	0	0	0	110.3	M63 H67 E71 D106 K154	M63-S65 PolarHBondContact O-N 3.25Å; S65-H67 PolarHBondContact OG-NE2 3.4Å; S65-E71 VanDerWaalsContact O-OE1 3.09Å; S65-D106 VanDerWaalsContact CB-OD2 3.23Å; S65-D106 WeakPolarHBondContact CB-OD2 3.24Å; S65-D106 PolarHBondContact OG-OD2 2.89Å; S65-K154 WeakPolarHBondContact O-CD 3.13Å; S65-K154 PolarHBondContact O-NZ 3.34Å; S65-K154 WeakPolarHBondContact OG-CD 3.5Å; S65-K154 PolarHBondContact OG-NZ 2.95Å
66	I	97.8	Very high	96.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.206	C	C	.	.			trans	-127.7	124.7	-177.6	-54.7	177.9	0	0	0	109.5	I64 E71 N72 L91 W104 F112 W138	I64-I66 HydrophobicContact CG1-CG1 4.06Å; I66-E71 WeakPolarHBondContact CA-OE2 3.33Å; I66-E71 HydrophobicContact CG2-CB 4.28Å; I66-E71 HydrophobicContact CG2-CG 4.22Å; I66-N72 HydrophobicContact CG2-CB 3.79Å; I66-L91 HydrophobicContact CD1-CD2 3.9Å; I66-W104 HydrophobicContact CB-CH2 4.34Å; I66-W104 HydrophobicContact CB-CZ2 4.42Å; I66-W104 WeakPolarHBondContact O-CZ2 3.44Å; I66-F112 HydrophobicContact CG2-CD1 3.92Å; I66-F112 HydrophobicContact CG2-CE1 4.09Å; I66-W138 HydrophobicContact CB-CH2 4.11Å; I66-W138 HydrophobicContact CB-CZ2 3.71Å; I66-W138 HydrophobicContact CD1-CZ2 4.02Å; I66-W138 HydrophobicContact CG1-CZ2 4.39Å; I66-W138 HydrophobicContact CG2-CH2 4.49Å; I66-W138 HydrophobicContact CG2-CZ2 3.84Å
67	H	97.1	Very high	96.2	Very high	44 Å²	44	40.2 Å²	40.2	20%	0.204	23%	0.226	C	C	.	.			trans	-118.6	-5.6	-171.2	-62	-61.2	0	0	0	115.2	S65 E71 S108 N109 T111 F112 K154	S65-H67 PolarHBondContact OG-NE2 3.4Å; H67-E71 IonicContact CD2-OE2 3.77Å; H67-E71 PolarHBondContact N-OE2 3.05Å; H67-S108 PolarHBondContact CE1-OG 3.01Å; H67-S108 PolarHBondContact NE2-OG 3.35Å; H67-N109 PolarHBondContact CE1-O 3.35Å; H67-N109 PolarHBondContact ND1-O 3.2Å; H67-T111 WeakPolarHBondContact CB-OG1 3.41Å; H67-T111 PolarHBondContact ND1-OG1 2.03Å; H67-T111 PolarHBondContact O-OG1 3.01Å; H67-F112 VanDerWaalsContact O-CB 3.26Å; H67-F112 WeakPolarHBondContact O-CB 3.24Å; H67-K154 PolarHBondContact CD2-NZ 3.39Å; H67-K154 PolarHBondContact NE2-NZ 3.47Å
68	N	97.2	Very high	96.1	Very high	40 Å²	40	38.3 Å²	38.3	21%	0.214	21%	0.214	C	C	.	.	S	Bend	trans	-159.4	166.6	176.6	53.7	64.3	0	0	0	112	E70 E71 N72	N68-E70 VanDerWaalsContact C-N 3.29Å; N68-E70 WeakPolarHBondContact CB-OE2 3.49Å; N68-E70 PolarHBondContact O-N 2.8Å; N68-E70 PolarHBondContact OD1-N 3.48Å; N68-E70 PolarHBondContact OD1-OE2 2.98Å; N68-E71 PolarHBondContact O-N 3.18Å; N68-E71 WeakPolarHBondContact OD1-CB 3.26Å; N68-E71 PolarHBondContact OD1-N 2.99Å; N68-N72 PolarHBondContact O-N 3.19Å; N68-N72 VanDerWaalsContact O-N 3.11Å
69	E	97.4	Very high	96	Very high	90 Å²	90	32 Å²	32	42%	0.421	18%	0.18	S	C	.	.	H	α-helix	trans	-61.2	-38	179.7	-175.9	78.7	-154	0	0	111.3	N72 A73 F112 K114	E69-N72 PolarHBondContact O-N 2.89Å; E69-A73 WeakPolarHBondContact O-CB 3.32Å; E69-A73 PolarHBondContact O-N 3.25Å; E69-F112 HydrophobicContact CB-CE2 4.05Å; E69-F112 HydrophobicContact CB-CZ 4.23Å; E69-K114 IonicContact OE1-NZ 2.77Å; E69-K114 PolarHBondContact OE1-NZ 2.98Å; E69-K114 IonicContact OE2-NZ 3.7Å
70	E	97.9	Very high	96	Very high	118 Å²	118	33.6 Å²	33.6	55%	0.551	19%	0.186	S	C	*	.	H	α-helix	trans	-65.9	-41.6	-179	-63.1	76.3	-166.7	0	0	112	F32 N68 A73 F74	F32-E70 HydrophobicContact CZ-CB 4.19Å; N68-E70 VanDerWaalsContact C-N 3.29Å; N68-E70 WeakPolarHBondContact CB-OE2 3.49Å; N68-E70 PolarHBondContact O-N 2.8Å; N68-E70 PolarHBondContact OD1-N 3.48Å; N68-E70 PolarHBondContact OD1-OE2 2.98Å; E70-A73 PolarHBondContact O-N 3.12Å; E70-F74 WeakPolarHBondContact O-CB 3.32Å; E70-F74 PolarHBondContact O-N 3.48Å
71	E	97.8	Very high	95.8	Very high	3 Å²	3	38 Å²	38	1%	0.014	19%	0.189	C	C	.	.	H	α-helix	trans	-64	-47.3	174	-177.1	174.2	-154.7	0	0	110.2	F32 Y37 S65 I66 H67 N68 A73 F74 I75 K154	F32-E71 HydrophobicContact CE1-CB 4Å; F32-E71 HydrophobicContact CE1-CG 4.48Å; Y37-E71 PolarHBondContact OH-OE1 3.08Å; S65-E71 VanDerWaalsContact O-OE1 3.09Å; I66-E71 WeakPolarHBondContact CA-OE2 3.33Å; I66-E71 HydrophobicContact CG2-CB 4.28Å; I66-E71 HydrophobicContact CG2-CG 4.22Å; H67-E71 IonicContact CD2-OE2 3.77Å; H67-E71 PolarHBondContact N-OE2 3.05Å; N68-E71 PolarHBondContact O-N 3.18Å; N68-E71 WeakPolarHBondContact OD1-CB 3.26Å; N68-E71 PolarHBondContact OD1-N 2.99Å; E71-A73 VanDerWaalsContact C-N 3.31Å; E71-A73 PolarHBondContact O-N 2.97Å; E71-F74 PolarHBondContact O-N 3.33Å; E71-I75 VanDerWaalsContact O-CG1 3.29Å; E71-I75 WeakPolarHBondContact O-CG1 3.03Å; E71-I75 PolarHBondContact O-N 2.88Å; E71-K154 VanDerWaalsContact OE1-CE 3.31Å; E71-K154 WeakPolarHBondContact OE1-CE 3.22Å; E71-K154 IonicContact OE1-NZ 3.78Å; E71-K154 PolarHBondContact OE1-NZ 2.81Å; E71-K154 IonicContact OE2-NZ 2.67Å
72	N	97.9	Very high	95.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-57.3	-45.1	176.3	-167.7	68.3	0	0	0	111.6	I66 N68 E69 I75 L76 F112 G136 W138	I66-N72 HydrophobicContact CG2-CB 3.79Å; N68-N72 PolarHBondContact O-N 3.19Å; N68-N72 VanDerWaalsContact O-N 3.11Å; E69-N72 PolarHBondContact O-N 2.89Å; N72-I75 PolarHBondContact O-N 3.26Å; N72-L76 WeakPolarHBondContact O-CD1 3.39Å; N72-L76 VanDerWaalsContact O-CG 3.24Å; N72-L76 WeakPolarHBondContact O-CG 3.22Å; N72-L76 PolarHBondContact O-N 3.24Å; N72-F112 HydrophobicContact CB-CE1 3.96Å; N72-F112 HydrophobicContact CB-CZ 4.4Å; N72-G136 PolarHBondContact ND2-O 2.84Å; N72-W138 PolarHBondContact OD1-NE1 2.91Å; N72-W138 VanDerWaalsContact OD1-NE1 3.08Å
73	A	97.4	Very high	94.8	Very high	50 Å²	50	42.1 Å²	42.1	41%	0.413	21%	0.205	S	C	.	.	H	α-helix	trans	-64.7	-41.5	177.6	0	0	0	0	0	112.7	E69 E70 E71 L76 D77	E69-A73 WeakPolarHBondContact O-CB 3.32Å; E69-A73 PolarHBondContact O-N 3.25Å; E70-A73 PolarHBondContact O-N 3.12Å; E71-A73 VanDerWaalsContact C-N 3.31Å; E71-A73 PolarHBondContact O-N 2.97Å; A73-L76 PolarHBondContact O-N 3.34Å; A73-D77 PolarHBondContact O-N 2.9Å
74	F	96.9	Very high	94.1	Very high	31 Å²	31	51.5 Å²	51.5	14%	0.136	25%	0.245	C	C	.	.	H	α-helix	trans	-60.8	-45.4	175.1	159.9	-103.3	0	0	0	111.8	I30 F32 Y37 E70 E71 L76 D77 T78	I30-F74 HydrophobicContact CB-CZ 4.28Å; I30-F74 HydrophobicContact CG2-CE2 3.82Å; I30-F74 HydrophobicContact CG2-CZ 3.6Å; F32-F74 HydrophobicContact CB-CD1 3.63Å; F32-F74 HydrophobicContact CB-CD2 4.08Å; F32-F74 HydrophobicContact CB-CE1 3.42Å; F32-F74 VanDerWaalsContact CB-CE1 3.42Å; F32-F74 HydrophobicContact CB-CE2 3.88Å; F32-F74 HydrophobicContact CB-CG 3.97Å; F32-F74 HydrophobicContact CB-CZ 3.56Å; F32-F74 HydrophobicContact CD1-CB 4.32Å; F32-F74 AromaticContact CD1-CD1 3.8Å; F32-F74 HydrophobicContact CD1-CD1 3.8Å; F32-F74 HydrophobicContact CD1-CE1 4.39Å; F32-F74 HydrophobicContact CD1-CG 4.06Å; F32-F74 HydrophobicContact CD2-CB 3.8Å; F32-F74 AromaticContact CD2-CD1 3.96Å; F32-F74 HydrophobicContact CD2-CD1 3.96Å; F32-F74 AromaticContact CD2-CD2 3.56Å; F32-F74 HydrophobicContact CD2-CD2 3.56Å; F32-F74 HydrophobicContact CD2-CE1 4.49Å; F32-F74 HydrophobicContact CD2-CE2 4.14Å; F32-F74 AromaticContact CD2-CG 3.46Å; F32-F74 HydrophobicContact CD2-CG 3.46Å; F32-F74 VanDerWaalsContact CD2-CG 3.46Å; F32-F74 HydrophobicContact CE1-CB 4.18Å; F32-F74 HydrophobicContact CE1-CD1 4.43Å; F32-F74 HydrophobicContact CE1-CG 4.42Å; F32-F74 HydrophobicContact CE2-CB 3.64Å; F32-F74 HydrophobicContact CE2-CD2 4.18Å; F32-F74 AromaticContact CE2-CG 3.87Å; F32-F74 HydrophobicContact CE2-CG 3.87Å; F32-F74 HydrophobicContact CG-CB 4.14Å; F32-F74 AromaticContact CG-CD1 3.52Å; F32-F74 HydrophobicContact CG-CD1 3.52Å; F32-F74 AromaticContact CG-CD2 3.94Å; F32-F74 HydrophobicContact CG-CD2 3.94Å; F32-F74 AromaticContact CG-CE1 3.89Å; F32-F74 HydrophobicContact CG-CE1 3.89Å; F32-F74 HydrophobicContact CG-CE2 4.26Å; F32-F74 AromaticContact CG-CG 3.56Å; F32-F74 HydrophobicContact CG-CG 3.56Å; F32-F74 HydrophobicContact CG-CZ 4.25Å; F32-F74 HydrophobicContact CZ-CB 3.83Å; F32-F74 HydrophobicContact CZ-CG 4.32Å; Y37-F74 HydrophobicContact CD1-CE1 4.36Å; Y37-F74 AromaticContact CD2-CE1 3.68Å; Y37-F74 HydrophobicContact CD2-CE1 3.68Å; Y37-F74 HydrophobicContact CD2-CZ 4.24Å; Y37-F74 AromaticContact CE2-CE1 3.98Å; Y37-F74 HydrophobicContact CE2-CE1 3.98Å; Y37-F74 AromaticContact CG-CE1 3.91Å; Y37-F74 HydrophobicContact CG-CE1 3.91Å; E70-F74 WeakPolarHBondContact O-CB 3.32Å; E70-F74 PolarHBondContact O-N 3.48Å; E71-F74 PolarHBondContact O-N 3.33Å; F74-L76 VanDerWaalsContact C-N 3.33Å; F74-L76 PolarHBondContact O-N 2.91Å; F74-D77 PolarHBondContact O-N 3.2Å; F74-T78 WeakPolarHBondContact CE2-OG1 3.36Å; F74-T78 WeakPolarHBondContact O-CB 3.41Å; F74-T78 PolarHBondContact O-N 3Å; F74-T78 PolarHBondContact O-OG1 2.85Å
75	I	96.1	Very high	93.4	Very high	2 Å²	2	53 Å²	53	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-61.8	-44.2	178	-66.5	-60.7	0	0	0	110.3	Y37 I64 E71 N72 T78 L79 L131 L152	Y37-I75 HydrophobicContact CD1-CD1 3.5Å; Y37-I75 HydrophobicContact CE1-CD1 3.76Å; Y37-I75 HydrophobicContact CG-CD1 4.21Å; I64-I75 HydrophobicContact CD1-CD1 3.9Å; I64-I75 HydrophobicContact CD1-CG1 4.32Å; E71-I75 VanDerWaalsContact O-CG1 3.29Å; E71-I75 WeakPolarHBondContact O-CG1 3.03Å; E71-I75 PolarHBondContact O-N 2.88Å; N72-I75 PolarHBondContact O-N 3.26Å; I75-T78 PolarHBondContact O-N 3.44Å; I75-L79 HydrophobicContact CG2-CD1 3.68Å; I75-L79 HydrophobicContact CG2-CG 4.26Å; I75-L79 WeakPolarHBondContact O-CB 3.49Å; I75-L79 VanDerWaalsContact O-CG 3.28Å; I75-L79 WeakPolarHBondContact O-CG 3.35Å; I75-L79 PolarHBondContact O-N 3.5Å; I75-L131 HydrophobicContact CG2-CD2 3.79Å; I75-L152 HydrophobicContact CB-CD2 4.48Å; I75-L152 HydrophobicContact CD1-CD2 3.76Å; I75-L152 HydrophobicContact CG1-CD2 4.35Å; I75-L152 HydrophobicContact CG2-CD2 3.41Å; I75-L152 VanDerWaalsContact CG2-CD2 3.41Å
76	L	95.7	Very high	92.9	Very high	14 Å²	14	55.4 Å²	55.4	7%	0.073	28%	0.278	C	S	.	.	H	α-helix	trans	-63.3	-45.2	178.5	-71	163.3	0	0	0	113.5	N72 A73 F74 T78 L79 K80 L131 I133	N72-L76 WeakPolarHBondContact O-CD1 3.39Å; N72-L76 VanDerWaalsContact O-CG 3.24Å; N72-L76 WeakPolarHBondContact O-CG 3.22Å; N72-L76 PolarHBondContact O-N 3.24Å; A73-L76 PolarHBondContact O-N 3.34Å; F74-L76 VanDerWaalsContact C-N 3.33Å; F74-L76 PolarHBondContact O-N 2.91Å; L76-T78 VanDerWaalsContact C-N 3.29Å; L76-T78 PolarHBondContact O-N 3.45Å; L76-L79 PolarHBondContact O-N 2.9Å; L76-K80 WeakPolarHBondContact O-CB 3.29Å; L76-K80 VanDerWaalsContact O-CG 3.23Å; L76-K80 WeakPolarHBondContact O-CG 3.31Å; L76-K80 PolarHBondContact O-N 2.89Å; L76-L131 HydrophobicContact CD2-CD1 4.1Å; L76-L131 HydrophobicContact CD2-CD2 3.98Å; L76-L131 HydrophobicContact CD2-CG 4.1Å; L76-L131 HydrophobicContact CG-CD2 4.4Å; L76-I133 WeakPolarHBondContact CD2-O 3.47Å
77	D	94.6	Very high	92.6	Very high	77 Å²	77	58.7 Å²	58.7	41%	0.412	30%	0.296	S	S	.	.	H	α-helix	trans	-62.2	-40.2	176.7	177.1	65.4	0	0	0	111.3	A73 F74 K81	A73-D77 PolarHBondContact O-N 2.9Å; F74-D77 PolarHBondContact O-N 3.2Å; D77-K81 WeakPolarHBondContact O-CD 3.44Å; D77-K81 WeakPolarHBondContact O-CG 3.26Å; D77-K81 PolarHBondContact O-N 3.44Å; D77-K81 WeakPolarHBondContact OD1-CE 3.31Å; D77-K81 IonicContact OD1-NZ 2.95Å; D77-K81 PolarHBondContact OD1-NZ 2.98Å; D77-K81 VanDerWaalsContact OD1-NZ 3.12Å; D77-K81 WeakPolarHBondContact OD2-CE 3.41Å; D77-K81 IonicContact OD2-NZ 3.34Å; D77-K81 PolarHBondContact OD2-NZ 3.43Å
78	T	93.1	Very high	92.3	Very high	17 Å²	17	58.6 Å²	58.6	10%	0.104	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-50.3	175.9	-60.1	0	0	0	0	111.6	I30 F74 I75 L76 K80 K81 Q82	I30-T78 HydrophobicContact CD1-CG2 3.47Å; I30-T78 VanDerWaalsContact CD1-CG2 3.47Å; F74-T78 WeakPolarHBondContact CE2-OG1 3.36Å; F74-T78 WeakPolarHBondContact O-CB 3.41Å; F74-T78 PolarHBondContact O-N 3Å; F74-T78 PolarHBondContact O-OG1 2.85Å; I75-T78 PolarHBondContact O-N 3.44Å; L76-T78 VanDerWaalsContact C-N 3.29Å; L76-T78 PolarHBondContact O-N 3.45Å; T78-K80 PolarHBondContact O-N 2.76Å; T78-K81 PolarHBondContact O-N 3.36Å; T78-Q82 PolarHBondContact O-N 3.31Å; T78-Q82 VanDerWaalsContact O-N 3.1Å
79	L	92.1	Very high	92.1	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.016	29%	0.287	C	S	.	.	H	α-helix	trans	-60.6	-45.5	178.3	-72.9	170	0	0	0	111.2	F39 I75 L76 K81 Q82 W83 I89 L131 I133	F39-L79 HydrophobicContact CD1-CD2 4.49Å; F39-L79 HydrophobicContact CD2-CD2 4.07Å; F39-L79 HydrophobicContact CE1-CD2 3.98Å; F39-L79 HydrophobicContact CE2-CD2 3.57Å; F39-L79 HydrophobicContact CZ-CD2 3.49Å; F39-L79 VanDerWaalsContact CZ-CD2 3.49Å; I75-L79 HydrophobicContact CG2-CD1 3.68Å; I75-L79 HydrophobicContact CG2-CG 4.26Å; I75-L79 WeakPolarHBondContact O-CB 3.49Å; I75-L79 VanDerWaalsContact O-CG 3.28Å; I75-L79 WeakPolarHBondContact O-CG 3.35Å; I75-L79 PolarHBondContact O-N 3.5Å; L76-L79 PolarHBondContact O-N 2.9Å; L79-K81 PolarHBondContact O-N 3.12Å; L79-K81 VanDerWaalsContact O-N 3.08Å; L79-Q82 PolarHBondContact O-N 3.01Å; L79-W83 HydrophobicContact CB-CB 4.42Å; L79-W83 HydrophobicContact CD2-CB 4.16Å; L79-W83 WeakPolarHBondContact O-CA 3.42Å; L79-W83 WeakPolarHBondContact O-CB 3.29Å; L79-W83 PolarHBondContact O-N 3.47Å; L79-I89 HydrophobicContact CD1-CG1 3.99Å; L79-I89 HydrophobicContact CD2-CD1 4.46Å; L79-I89 HydrophobicContact CD2-CG1 4.19Å; L79-L131 HydrophobicContact CD1-CD2 3.96Å; L79-I133 HydrophobicContact CB-CD1 4.46Å; L79-I133 HydrophobicContact CB-CG2 4.39Å; L79-I133 HydrophobicContact CD1-CG1 4.28Å
80	K	91.2	Very high	91.9	Very high	125 Å²	125	52.9 Å²	52.9	54%	0.543	27%	0.269	S	S	.	.	H	α-helix	trans	-57.9	-26.8	177.8	-76	171.8	-177.3	176	0	113.7	L76 T78 I133	L76-K80 WeakPolarHBondContact O-CB 3.29Å; L76-K80 VanDerWaalsContact O-CG 3.23Å; L76-K80 WeakPolarHBondContact O-CG 3.31Å; L76-K80 PolarHBondContact O-N 2.89Å; T78-K80 PolarHBondContact O-N 2.76Å; K80-I133 WeakPolarHBondContact CE-O 3.31Å; K80-I133 HydrophobicContact CG-CG2 3.86Å
81	K	89.4	Confident	91.8	Very high	149 Å²	149	47.3 Å²	47.3	65%	0.648	24%	0.243	S	C	*	.	H	α-helix	trans	-87.6	-37.5	179.5	-71.1	168.2	-176.3	167.6	0	113.2	D77 T78 L79	D77-K81 WeakPolarHBondContact O-CD 3.44Å; D77-K81 WeakPolarHBondContact O-CG 3.26Å; D77-K81 PolarHBondContact O-N 3.44Å; D77-K81 WeakPolarHBondContact OD1-CE 3.31Å; D77-K81 IonicContact OD1-NZ 2.95Å; D77-K81 PolarHBondContact OD1-NZ 2.98Å; D77-K81 VanDerWaalsContact OD1-NZ 3.12Å; D77-K81 WeakPolarHBondContact OD2-CE 3.41Å; D77-K81 IonicContact OD2-NZ 3.34Å; D77-K81 PolarHBondContact OD2-NZ 3.43Å; T78-K81 PolarHBondContact O-N 3.36Å; L79-K81 PolarHBondContact O-N 3.12Å; L79-K81 VanDerWaalsContact O-N 3.08Å
82	Q	86	Confident	91.7	Very high	89 Å²	89	47.2 Å²	47.2	42%	0.416	24%	0.243	S	C	.	.	H	α-helix	trans	-108.9	-29.2	-167.4	-62.5	-175.1	-7.3	0	0	113.6	Q41 T78 L79	Q41-Q82 PolarHBondContact NE2-O 2.85Å; T78-Q82 PolarHBondContact O-N 3.31Å; T78-Q82 VanDerWaalsContact O-N 3.1Å; L79-Q82 PolarHBondContact O-N 3.01Å
83	W	84.9	Confident	91.6	Very high	30 Å²	30	47.2 Å²	47.2	11%	0.114	24%	0.243	C	C	.	.			trans	-86.8	141.2	-173.8	-179.6	-114.1	0	0	0	112.7	F39 Q41 L79 G85 S86 I89 I133 E149	F39-W83 HydrophobicContact CD1-CE3 4.41Å; F39-W83 HydrophobicContact CE1-CB 3.77Å; F39-W83 AromaticContact CE1-CD2 3.7Å; F39-W83 HydrophobicContact CE1-CD2 3.7Å; F39-W83 AromaticContact CE1-CE3 3.11Å; F39-W83 HydrophobicContact CE1-CE3 3.11Å; F39-W83 HydrophobicContact CE1-CG 4.05Å; F39-W83 AromaticContact CE1-CZ3 3.74Å; F39-W83 HydrophobicContact CE1-CZ3 3.74Å; F39-W83 HydrophobicContact CE2-CE3 4.3Å; F39-W83 HydrophobicContact CE2-CZ3 4.31Å; F39-W83 HydrophobicContact CZ-CB 4.06Å; F39-W83 AromaticContact CZ-CD2 3.42Å; F39-W83 HydrophobicContact CZ-CD2 3.42Å; F39-W83 VanDerWaalsContact CZ-CD2 3.42Å; F39-W83 AromaticContact CZ-CE3 3.03Å; F39-W83 HydrophobicContact CZ-CE3 3.03Å; F39-W83 AromaticContact CZ-CG 3.95Å; F39-W83 HydrophobicContact CZ-CG 3.95Å; F39-W83 HydrophobicContact CZ-CH2 4.06Å; F39-W83 AromaticContact CZ-CZ3 3.34Å; F39-W83 HydrophobicContact CZ-CZ3 3.34Å; Q41-W83 HydrophobicContact CG-CE3 4.1Å; Q41-W83 HydrophobicContact CG-CZ3 4.19Å; L79-W83 HydrophobicContact CB-CB 4.42Å; L79-W83 HydrophobicContact CD2-CB 4.16Å; L79-W83 WeakPolarHBondContact O-CA 3.42Å; L79-W83 WeakPolarHBondContact O-CB 3.29Å; L79-W83 PolarHBondContact O-N 3.47Å; W83-G85 VanDerWaalsContact CE2-N 3.33Å; W83-G85 PolarHBondContact NE1-O 3.3Å; W83-S86 PolarHBondContact NE1-O 3.43Å; W83-I89 HydrophobicContact CD2-CD1 4.02Å; W83-I89 HydrophobicContact CG-CD1 4.42Å; W83-I89 HydrophobicContact CH2-CD1 3.96Å; W83-I89 HydrophobicContact CZ2-CD1 3.3Å; W83-I133 HydrophobicContact CG-CD1 4.18Å; W83-E149 VanDerWaalsContact CH2-C 3.49Å; W83-E149 HydrophobicContact CH2-CB 3.55Å; W83-E149 HydrophobicContact CZ2-CB 4.02Å; W83-E149 HydrophobicContact CZ3-CB 4.43Å
84	K	81.6	Confident	91.4	Very high	199 Å²	199	47.5 Å²	47.5	87%	0.865	23%	0.234	S	C	*	.			trans	-131	5.3	178.6	-63.4	-175.6	179.3	177.6	0	113.5
85	G	82.6	Confident	91.2	Very high	31 Å²	31	48.2 Å²	48.2	32%	0.32	24%	0.237	S	C	.	.	S	Bend	trans	-88.5	-150.4	178.8	0	0	0	0	0	112.4	W83 E149	W83-G85 VanDerWaalsContact CE2-N 3.33Å; W83-G85 PolarHBondContact NE1-O 3.3Å; G85-E149 WeakPolarHBondContact CA-OE2 3.43Å
86	S	86.3	Confident	91.1	Very high	52 Å²	52	49.4 Å²	49.4	36%	0.364	24%	0.243	S	C	.	.			trans	-54.5	147.9	179.8	54.6	0	0	0	0	114	W83 D88 I133 E149	W83-S86 PolarHBondContact NE1-O 3.43Å; S86-D88 PolarHBondContact O-N 2.77Å; S86-D88 PolarHBondContact OG-O 3.4Å; S86-I133 WeakPolarHBondContact O-CD1 3.4Å; S86-E149 PolarHBondContact N-OE2 3.11Å
87	D	90.5	Very high	90.8	Very high	69 Å²	69	52.7 Å²	52.7	37%	0.369	26%	0.264	S	S	.	.	S	Bend	trans	-65.8	-5.7	174.6	-74.4	-41.7	0	0	0	113.5	H132 I133 K134	D87-H132 CarbonylContact O-C 3.6Å; D87-H132 PolarHBondContact O-ND1 3.04Å; D87-I133 WeakPolarHBondContact O-CG1 3.48Å; D87-I133 PolarHBondContact O-N 3.4Å; D87-K134 VanDerWaalsContact CG-CE 3.43Å; D87-K134 VanDerWaalsContact OD1-CE 3.23Å; D87-K134 WeakPolarHBondContact OD1-CE 3.37Å; D87-K134 IonicContact OD1-NZ 3.74Å; D87-K134 WeakPolarHBondContact OD2-CE 3.36Å; D87-K134 IonicContact OD2-NZ 3.46Å; D87-K134 PolarHBondContact OD2-NZ 2.86Å
88	D	91.4	Very high	90.7	Very high	41 Å²	41	56.1 Å²	56.1	22%	0.219	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131	-178.5	-54.1	-64.4	0	0	0	110.3	S86 F130 L131 H132 K139	S86-D88 PolarHBondContact O-N 2.77Å; S86-D88 PolarHBondContact OG-O 3.4Å; D88-F130 HydrophobicContact CB-CB 4.32Å; D88-L131 WeakPolarHBondContact CA-O 3.26Å; D88-H132 IonicContact OD1-CE1 2.63Å; D88-H132 IonicContact OD1-CG 2.62Å; D88-H132 IonicContact OD1-ND1 3.61Å; D88-H132 PolarHBondContact OD1-ND1 3.42Å; D88-K139 WeakPolarHBondContact OD1-CE 3.38Å; D88-K139 IonicContact OD1-NZ 3.69Å; D88-K139 PolarHBondContact OD1-NZ 3.42Å; D88-K139 IonicContact OD2-NZ 2.74Å; D88-K139 PolarHBondContact OD2-NZ 3.12Å
89	I	92.4	Very high	90.6	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.015	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.3	177.5	-61.6	-62.7	0	0	0	109.2	F39 L79 W83 L91 F130 L131 I133	F39-I89 HydrophobicContact CE2-CD1 4.36Å; F39-I89 HydrophobicContact CZ-CD1 4.19Å; L79-I89 HydrophobicContact CD1-CG1 3.99Å; L79-I89 HydrophobicContact CD2-CD1 4.46Å; L79-I89 HydrophobicContact CD2-CG1 4.19Å; W83-I89 HydrophobicContact CD2-CD1 4.02Å; W83-I89 HydrophobicContact CG-CD1 4.42Å; W83-I89 HydrophobicContact CH2-CD1 3.96Å; W83-I89 HydrophobicContact CZ2-CD1 3.3Å; I89-L91 PolarHBondContact O-N 3.42Å; I89-F130 CarbonylContact O-C 3.44Å; I89-F130 WeakPolarHBondContact O-CA 3.3Å; I89-L131 PolarHBondContact N-O 2.88Å; I89-L131 PolarHBondContact O-N 2.92Å; I89-I133 HydrophobicContact CD1-CD1 4.22Å; I89-I133 HydrophobicContact CG1-CD1 3.8Å; I89-I133 HydrophobicContact CG1-CG1 4.04Å
90	L	93.9	Very high	90.5	Very high	8 Å²	8	63.3 Å²	63.3	4%	0.042	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	129	175.1	-172.9	66.5	0	0	0	110.6	I49 V52 M63 C128 F130	I49-L90 HydrophobicContact CD1-CD1 4.1Å; I49-L90 HydrophobicContact CD1-CD2 3.89Å; I49-L90 HydrophobicContact CD1-CG 4.18Å; I49-L90 HydrophobicContact CG1-CD2 4.03Å; V52-L90 HydrophobicContact CB-CD2 4.25Å; V52-L90 HydrophobicContact CG1-CD2 4.16Å; V52-L90 HydrophobicContact CG2-CD2 3.98Å; M63-L90 HydrophobicContact CE-CD2 3.82Å; M63-L90 HydrophobicContact CE-CG 3.94Å; L90-C128 HydrophobicContact CD1-CB 4.01Å; L90-F130 HydrophobicContact CB-CD1 4.16Å; L90-F130 HydrophobicContact CB-CE1 4.07Å; L90-F130 HydrophobicContact CD1-CD1 3.95Å; L90-F130 HydrophobicContact CD1-CE1 3.47Å; L90-F130 VanDerWaalsContact CD1-CE1 3.47Å; L90-F130 HydrophobicContact CD1-CE2 4.08Å; L90-F130 HydrophobicContact CD1-CG 4.44Å; L90-F130 HydrophobicContact CD1-CZ 3.54Å; L90-F130 HydrophobicContact CG-CE1 4.35Å
91	L	96	Very high	90.5	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	160.1	173.6	-67.9	177.4	0	0	0	110.5	M63 I64 I66 I89 M93 W104 A129 L131 W138	M63-L91 WeakPolarHBondContact CE-O 3.29Å; I64-L91 HydrophobicContact CG2-CD2 3.64Å; I66-L91 HydrophobicContact CD1-CD2 3.9Å; I89-L91 PolarHBondContact O-N 3.42Å; L91-M93 HydrophobicContact CB-CB 4.39Å; L91-M93 PolarHBondContact O-N 3.43Å; L91-W104 HydrophobicContact CB-CZ3 4.13Å; L91-W104 HydrophobicContact CD1-CH2 4.39Å; L91-A129 HydrophobicContact CB-CB 4.38Å; L91-A129 WeakPolarHBondContact CB-O 3.38Å; L91-A129 HydrophobicContact CD1-CB 4.22Å; L91-A129 PolarHBondContact N-O 3.01Å; L91-L131 HydrophobicContact CD1-CB 4.28Å; L91-L131 HydrophobicContact CD2-CB 3.91Å; L91-L131 HydrophobicContact CG-CB 4.09Å; L91-W138 HydrophobicContact CD1-CB 4.38Å; L91-W138 HydrophobicContact CD1-CD2 3.93Å; L91-W138 HydrophobicContact CD1-CE3 4.45Å; L91-W138 HydrophobicContact CD1-CG 3.86Å
92	G	95.9	Very high	90.7	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	39.7	174	0	0	0	0	0	114	I64 W104 F105	I64-G92 WeakPolarHBondContact O-CA 3.5Å; I64-G92 PolarHBondContact O-N 2.71Å; G92-W104 CarbonylContact O-C 3.53Å; G92-W104 WeakPolarHBondContact O-CA 3.32Å; G92-F105 VanDerWaalsContact C-CD2 3.46Å; G92-F105 VanDerWaalsContact O-CD2 3.31Å; G92-F105 WeakPolarHBondContact O-CD2 3.45Å; G92-F105 PolarHBondContact O-N 3.07Å
93	M	94.9	Very high	91.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.2	-170.2	-168.2	160.3	64.8	0	0	111.7	L91 F102 K103 W104 M110 W115 A129 W138	L91-M93 HydrophobicContact CB-CB 4.39Å; L91-M93 PolarHBondContact O-N 3.43Å; M93-F102 HydrophobicContact CE-CD1 4.5Å; M93-F102 HydrophobicContact CG-CB 4.01Å; M93-F102 HydrophobicContact CG-CD1 4.07Å; M93-F102 HydrophobicContact CG-CG 4.47Å; M93-F102 HydrophobicContact SD-CB 3.92Å; M93-K103 VanDerWaalsContact CA-O 3.3Å; M93-K103 WeakPolarHBondContact CA-O 3.23Å; M93-K103 WeakPolarHBondContact CG-O 3.19Å; M93-W104 HydrophobicContact CB-CD2 4.44Å; M93-W104 HydrophobicContact CB-CE3 3.71Å; M93-W104 HydrophobicContact CB-CH2 4.29Å; M93-W104 HydrophobicContact CB-CZ3 3.63Å; M93-W104 HydrophobicContact CE-CH2 4.35Å; M93-W104 HydrophobicContact CG-CE3 4.29Å; M93-W104 HydrophobicContact CG-CZ3 4.36Å; M93-W104 HydrophobicContact SD-CD2 4.36Å; M93-W104 HydrophobicContact SD-CE3 4.36Å; M93-W104 HydrophobicContact SD-CH2 3.91Å; M93-W104 HydrophobicContact SD-CZ2 3.92Å; M93-W104 HydrophobicContact SD-CZ3 4.15Å; M93-M110 HydrophobicContact CE-CE 4.42Å; M93-M110 HydrophobicContact CG-CE 4.35Å; M93-M110 HydrophobicContact SD-CE 3.14Å; M93-M110 WeakPolarHBondContact SD-CE 3.35Å; M93-W115 HydrophobicContact CE-CH2 3.17Å; M93-W115 HydrophobicContact CE-CZ2 3.35Å; M93-W115 HydrophobicContact CE-CZ3 4.04Å; M93-W115 HydrophobicContact SD-CH2 4.46Å; M93-W115 HydrophobicContact SD-CZ2 4.24Å; M93-A129 HydrophobicContact CB-CB 4.1Å; M93-A129 HydrophobicContact CE-CB 3.16Å; M93-A129 HydrophobicContact CG-CB 4.46Å; M93-A129 PolarHBondContact O-N 2.91Å; M93-W138 HydrophobicContact CE-CE3 3.78Å; M93-W138 HydrophobicContact CE-CZ3 4.05Å; M93-W138 HydrophobicContact SD-CZ3 4.47Å
94	F	93.6	Very high	91.8	Very high	55 Å²	55	51 Å²	51	24%	0.241	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	155.2	178.1	68.3	-81.6	0	0	0	110.3	D96 F102 K103 F105	F94-D96 HydrophobicContact CE2-CB 4.08Å; F94-F102 CarbonylContact O-C 3.55Å; F94-F102 WeakPolarHBondContact O-CA 3.48Å; F94-K103 WeakPolarHBondContact CD1-O 3.22Å; F94-K103 HydrophobicContact CE1-CB 3.96Å; F94-K103 HydrophobicContact CE2-CB 4.43Å; F94-K103 HydrophobicContact CZ-CB 3.89Å; F94-K103 HydrophobicContact CZ-CD 4.46Å; F94-K103 PolarHBondContact N-O 2.96Å; F94-K103 PolarHBondContact O-N 2.77Å; F94-F105 HydrophobicContact CB-CE2 4.1Å; F94-F105 HydrophobicContact CB-CZ 3.83Å; F94-F105 AromaticContact CD1-CD1 3.77Å; F94-F105 HydrophobicContact CD1-CD1 3.77Å; F94-F105 HydrophobicContact CD1-CD2 4.05Å; F94-F105 AromaticContact CD1-CE1 3.49Å; F94-F105 HydrophobicContact CD1-CE1 3.49Å; F94-F105 VanDerWaalsContact CD1-CE1 3.49Å; F94-F105 AromaticContact CD1-CE2 3.73Å; F94-F105 HydrophobicContact CD1-CE2 3.73Å; F94-F105 HydrophobicContact CD1-CG 4.04Å; F94-F105 AromaticContact CD1-CZ 3.45Å; F94-F105 HydrophobicContact CD1-CZ 3.45Å; F94-F105 VanDerWaalsContact CD1-CZ 3.45Å; F94-F105 AromaticContact CE1-CD1 3.81Å; F94-F105 HydrophobicContact CE1-CD1 3.81Å; F94-F105 AromaticContact CE1-CE1 3.83Å; F94-F105 HydrophobicContact CE1-CE1 3.83Å; F94-F105 HydrophobicContact CE1-CG 4.26Å; F94-F105 HydrophobicContact CE1-CZ 4.26Å; F94-F105 HydrophobicContact CG-CE1 4.13Å; F94-F105 HydrophobicContact CG-CE2 4.3Å; F94-F105 AromaticContact CG-CZ 3.84Å; F94-F105 HydrophobicContact CG-CZ 3.84Å
95	Y	93.5	Very high	92.4	Very high	47 Å²	47	42.2 Å²	42.2	18%	0.184	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	120.1	172.2	-172.3	-101.4	0	0	0	110.3	T97 A100 F102 L124 T127	Y95-T97 HydrophobicContact CD1-CG2 4.03Å; Y95-T97 HydrophobicContact CE1-CG2 4.15Å; Y95-A100 VanDerWaalsContact OH-CA 3.3Å; Y95-A100 WeakPolarHBondContact OH-CA 3.29Å; Y95-F102 HydrophobicContact CD2-CD1 4.31Å; Y95-F102 AromaticContact CD2-CD2 3.96Å; Y95-F102 HydrophobicContact CD2-CD2 3.96Å; Y95-F102 HydrophobicContact CD2-CE1 4.2Å; Y95-F102 AromaticContact CD2-CE2 3.82Å; Y95-F102 HydrophobicContact CD2-CE2 3.82Å; Y95-F102 HydrophobicContact CD2-CG 4.2Å; Y95-F102 AromaticContact CD2-CZ 3.95Å; Y95-F102 HydrophobicContact CD2-CZ 3.95Å; Y95-F102 HydrophobicContact CE2-CE2 4.44Å; Y95-L124 HydrophobicContact CD1-CB 3.65Å; Y95-L124 WeakPolarHBondContact CD1-O 2.97Å; Y95-L124 HydrophobicContact CD2-CB 4.14Å; Y95-L124 HydrophobicContact CD2-CD1 4.15Å; Y95-L124 HydrophobicContact CE1-CB 3.56Å; Y95-L124 HydrophobicContact CE1-CD1 4.38Å; Y95-L124 HydrophobicContact CE2-CB 4.07Å; Y95-L124 HydrophobicContact CE2-CD1 3.57Å; Y95-L124 HydrophobicContact CE2-CG 4.47Å; Y95-L124 HydrophobicContact CG-CB 3.93Å; Y95-T127 WeakPolarHBondContact CB-O 3.26Å; Y95-T127 PolarHBondContact N-O 3.15Å
96	D	92.8	Very high	92.9	Very high	27 Å²	27	43 Å²	43	14%	0.144	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	115.8	173.3	-172.9	-39.3	0	0	0	109	F94 D98 D99 A100 S101 K103	F94-D96 HydrophobicContact CE2-CB 4.08Å; D96-D98 WeakPolarHBondContact OD1-CA 3.36Å; D96-D98 WeakPolarHBondContact OD1-CB 3.4Å; D96-D98 PolarHBondContact OD1-N 3.47Å; D96-D99 PolarHBondContact OD1-N 3.31Å; D96-D99 VanDerWaalsContact OD1-N 3.12Å; D96-A100 VanDerWaalsContact O-CA 3.26Å; D96-A100 WeakPolarHBondContact O-CA 3.14Å; D96-A100 PolarHBondContact O-N 3.22Å; D96-S101 WeakPolarHBondContact CB-O 3Å; D96-S101 PolarHBondContact N-O 2.79Å; D96-S101 PolarHBondContact O-N 3.4Å; D96-S101 VanDerWaalsContact O-N 3.14Å; D96-K103 HydrophobicContact CB-CD 3.88Å; D96-K103 HydrophobicContact CB-CG 4.23Å; D96-K103 WeakPolarHBondContact OD2-CD 3.48Å; D96-K103 VanDerWaalsContact OD2-CE 3.31Å; D96-K103 WeakPolarHBondContact OD2-CE 3.45Å; D96-K103 IonicContact OD2-NZ 3.7Å; D96-K103 PolarHBondContact OD2-NZ 2.92Å
97	T	91	Very high	93.3	Very high	83 Å²	83	47.2 Å²	47.2	51%	0.509	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-24	-177.5	50.9	0	0	0	0	113.2	Y95 I125	Y95-T97 HydrophobicContact CD1-CG2 4.03Å; Y95-T97 HydrophobicContact CE1-CG2 4.15Å; T97-I125 HydrophobicContact CG2-CG1 4.13Å
98	D	91.8	Very high	93.5	Very high	149 Å²	149	45.5 Å²	45.5	80%	0.797	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-42.4	178	-69.2	-35.2	0	0	0	110.3	D96	D96-D98 WeakPolarHBondContact OD1-CA 3.36Å; D96-D98 WeakPolarHBondContact OD1-CB 3.4Å; D96-D98 PolarHBondContact OD1-N 3.47Å
99	D	90.9	Very high	93.7	Very high	105 Å²	105	49.7 Å²	49.7	56%	0.561	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-0.5	179.4	-77.1	-10.2	0	0	0	113.6	D96 S101 K103	D96-D99 PolarHBondContact OD1-N 3.31Å; D96-D99 VanDerWaalsContact OD1-N 3.12Å; D99-S101 PolarHBondContact O-N 3.02Å; D99-S101 PolarHBondContact O-OG 3.21Å; D99-K103 VanDerWaalsContact OD2-CE 3.25Å; D99-K103 WeakPolarHBondContact OD2-CE 3.41Å; D99-K103 IonicContact OD2-NZ 2.97Å; D99-K103 PolarHBondContact OD2-NZ 3.39Å
100	A	90.3	Very high	93.8	Very high	66 Å²	66	53 Å²	53	55%	0.545	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.4	44.6	-176.7	0	0	0	0	0	113.3	Y95 D96	Y95-A100 VanDerWaalsContact OH-CA 3.3Å; Y95-A100 WeakPolarHBondContact OH-CA 3.29Å; D96-A100 VanDerWaalsContact O-CA 3.26Å; D96-A100 WeakPolarHBondContact O-CA 3.14Å; D96-A100 PolarHBondContact O-N 3.22Å
101	S	91.6	Very high	93.9	Very high	46 Å²	46	57.2 Å²	57.2	32%	0.322	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	155.9	-174.2	58.6	0	0	0	0	112.6	D96 D99	D96-S101 WeakPolarHBondContact CB-O 3Å; D96-S101 PolarHBondContact N-O 2.79Å; D96-S101 PolarHBondContact O-N 3.4Å; D96-S101 VanDerWaalsContact O-N 3.14Å; D99-S101 PolarHBondContact O-N 3.02Å; D99-S101 PolarHBondContact O-OG 3.21Å
102	F	93.6	Very high	93.9	Very high	22 Å²	22	58.7 Å²	58.7	10%	0.096	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	137.2	173.2	-75.5	-82.4	0	0	0	111.1	M93 F94 Y95 M110 W115 T127 K140	M93-F102 HydrophobicContact CE-CD1 4.5Å; M93-F102 HydrophobicContact CG-CB 4.01Å; M93-F102 HydrophobicContact CG-CD1 4.07Å; M93-F102 HydrophobicContact CG-CG 4.47Å; M93-F102 HydrophobicContact SD-CB 3.92Å; F94-F102 CarbonylContact O-C 3.55Å; F94-F102 WeakPolarHBondContact O-CA 3.48Å; Y95-F102 HydrophobicContact CD2-CD1 4.31Å; Y95-F102 AromaticContact CD2-CD2 3.96Å; Y95-F102 HydrophobicContact CD2-CD2 3.96Å; Y95-F102 HydrophobicContact CD2-CE1 4.2Å; Y95-F102 AromaticContact CD2-CE2 3.82Å; Y95-F102 HydrophobicContact CD2-CE2 3.82Å; Y95-F102 HydrophobicContact CD2-CG 4.2Å; Y95-F102 AromaticContact CD2-CZ 3.95Å; Y95-F102 HydrophobicContact CD2-CZ 3.95Å; Y95-F102 HydrophobicContact CE2-CE2 4.44Å; F102-M110 HydrophobicContact CB-CE 3.42Å; F102-M110 VanDerWaalsContact CB-CE 3.42Å; F102-M110 HydrophobicContact CB-SD 4.27Å; F102-M110 WeakPolarHBondContact O-CE 3.1Å; F102-W115 HydrophobicContact CB-CZ2 4.27Å; F102-W115 AromaticContact CD1-CH2 3.89Å; F102-W115 HydrophobicContact CD1-CH2 3.89Å; F102-W115 HydrophobicContact CD1-CZ2 4.14Å; F102-W115 AromaticContact CD2-CH2 3.98Å; F102-W115 HydrophobicContact CD2-CH2 3.98Å; F102-W115 AromaticContact CD2-CZ2 3.6Å; F102-W115 HydrophobicContact CD2-CZ2 3.6Å; F102-W115 AromaticContact CE1-CH2 3.83Å; F102-W115 HydrophobicContact CE1-CH2 3.83Å; F102-W115 HydrophobicContact CE1-CZ2 4.4Å; F102-W115 AromaticContact CE2-CH2 3.93Å; F102-W115 HydrophobicContact CE2-CH2 3.93Å; F102-W115 AromaticContact CE2-CZ2 3.9Å; F102-W115 HydrophobicContact CE2-CZ2 3.9Å; F102-W115 AromaticContact CG-CH2 3.97Å; F102-W115 HydrophobicContact CG-CH2 3.97Å; F102-W115 AromaticContact CG-CZ2 3.73Å; F102-W115 HydrophobicContact CG-CZ2 3.73Å; F102-W115 AromaticContact CZ-CH2 3.85Å; F102-W115 HydrophobicContact CZ-CH2 3.85Å; F102-W115 HydrophobicContact CZ-CZ2 4.3Å; F102-T127 HydrophobicContact CE1-CG2 3.96Å; F102-T127 HydrophobicContact CZ-CG2 3.91Å; F102-K140 HydrophobicContact CE2-CD 4.27Å; F102-K140 HydrophobicContact CE2-CG 4.46Å; F102-K140 HydrophobicContact CZ-CD 4.02Å; F102-K140 HydrophobicContact CZ-CG 3.89Å
103	K	95.9	Very high	93.9	Very high	63 Å²	63	63 Å²	63	27%	0.274	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.3	179.7	-67.6	-174.6	-179.1	172.4	0	111.7	M93 F94 D96 D99	M93-K103 VanDerWaalsContact CA-O 3.3Å; M93-K103 WeakPolarHBondContact CA-O 3.23Å; M93-K103 WeakPolarHBondContact CG-O 3.19Å; F94-K103 WeakPolarHBondContact CD1-O 3.22Å; F94-K103 HydrophobicContact CE1-CB 3.96Å; F94-K103 HydrophobicContact CE2-CB 4.43Å; F94-K103 HydrophobicContact CZ-CB 3.89Å; F94-K103 HydrophobicContact CZ-CD 4.46Å; F94-K103 PolarHBondContact N-O 2.96Å; F94-K103 PolarHBondContact O-N 2.77Å; D96-K103 HydrophobicContact CB-CD 3.88Å; D96-K103 HydrophobicContact CB-CG 4.23Å; D96-K103 WeakPolarHBondContact OD2-CD 3.48Å; D96-K103 VanDerWaalsContact OD2-CE 3.31Å; D96-K103 WeakPolarHBondContact OD2-CE 3.45Å; D96-K103 IonicContact OD2-NZ 3.7Å; D96-K103 PolarHBondContact OD2-NZ 2.92Å; D99-K103 VanDerWaalsContact OD2-CE 3.25Å; D99-K103 WeakPolarHBondContact OD2-CE 3.41Å; D99-K103 IonicContact OD2-NZ 2.97Å; D99-K103 PolarHBondContact OD2-NZ 3.39Å
104	W	96.9	Very high	94	Very high	3 Å²	3	65.5 Å²	65.5	1%	0.011	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	141.8	171.1	-61.7	114.5	0	0	0	111.1	I64 I66 L91 G92 M93 D106 N107 W138	I64-W104 VanDerWaalsContact O-CZ3 3.24Å; I64-W104 WeakPolarHBondContact O-CZ3 3.46Å; I66-W104 HydrophobicContact CB-CH2 4.34Å; I66-W104 HydrophobicContact CB-CZ2 4.42Å; I66-W104 WeakPolarHBondContact O-CZ2 3.44Å; L91-W104 HydrophobicContact CB-CZ3 4.13Å; L91-W104 HydrophobicContact CD1-CH2 4.39Å; G92-W104 CarbonylContact O-C 3.53Å; G92-W104 WeakPolarHBondContact O-CA 3.32Å; M93-W104 HydrophobicContact CB-CD2 4.44Å; M93-W104 HydrophobicContact CB-CE3 3.71Å; M93-W104 HydrophobicContact CB-CH2 4.29Å; M93-W104 HydrophobicContact CB-CZ3 3.63Å; M93-W104 HydrophobicContact CE-CH2 4.35Å; M93-W104 HydrophobicContact CG-CE3 4.29Å; M93-W104 HydrophobicContact CG-CZ3 4.36Å; M93-W104 HydrophobicContact SD-CD2 4.36Å; M93-W104 HydrophobicContact SD-CE3 4.36Å; M93-W104 HydrophobicContact SD-CH2 3.91Å; M93-W104 HydrophobicContact SD-CZ2 3.92Å; M93-W104 HydrophobicContact SD-CZ3 4.15Å; W104-D106 VanDerWaalsContact C-N 3.26Å; W104-D106 WeakPolarHBondContact CB-OD1 3.4Å; W104-D106 PolarHBondContact O-N 2.54Å; W104-N107 PolarHBondContact O-N 2.68Å; W104-N107 VanDerWaalsContact O-N 3.13Å; W104-W138 HydrophobicContact CH2-CH2 4.01Å; W104-W138 HydrophobicContact CH2-CZ3 4.12Å; W104-W138 AromaticContact CZ2-CH2 3.75Å; W104-W138 HydrophobicContact CZ2-CH2 3.75Å; W104-W138 AromaticContact CZ2-CZ3 3.93Å; W104-W138 HydrophobicContact CZ2-CZ3 3.93Å
105	F	94.9	Very high	94	Very high	15 Å²	15	65.7 Å²	65.7	7%	0.066	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-30.6	175.9	-81.2	-67.2	0	0	0	113.5	I49 R53 M63 G92 F94 N107	I49-F105 HydrophobicContact CD1-CE2 3.49Å; I49-F105 VanDerWaalsContact CD1-CE2 3.49Å; I49-F105 HydrophobicContact CD1-CZ 4.07Å; I49-F105 HydrophobicContact CG1-CE2 3.73Å; I49-F105 HydrophobicContact CG1-CZ 4.03Å; I49-F105 HydrophobicContact CG2-CE2 4.26Å; I49-F105 HydrophobicContact CG2-CZ 3.68Å; R53-F105 PolarHBondContact NH2-O 2.81Å; M63-F105 HydrophobicContact SD-CD2 3.83Å; M63-F105 HydrophobicContact SD-CE2 4.16Å; G92-F105 VanDerWaalsContact C-CD2 3.46Å; G92-F105 VanDerWaalsContact O-CD2 3.31Å; G92-F105 WeakPolarHBondContact O-CD2 3.45Å; G92-F105 PolarHBondContact O-N 3.07Å; F94-F105 HydrophobicContact CB-CE2 4.1Å; F94-F105 HydrophobicContact CB-CZ 3.83Å; F94-F105 AromaticContact CD1-CD1 3.77Å; F94-F105 HydrophobicContact CD1-CD1 3.77Å; F94-F105 HydrophobicContact CD1-CD2 4.05Å; F94-F105 AromaticContact CD1-CE1 3.49Å; F94-F105 HydrophobicContact CD1-CE1 3.49Å; F94-F105 VanDerWaalsContact CD1-CE1 3.49Å; F94-F105 AromaticContact CD1-CE2 3.73Å; F94-F105 HydrophobicContact CD1-CE2 3.73Å; F94-F105 HydrophobicContact CD1-CG 4.04Å; F94-F105 AromaticContact CD1-CZ 3.45Å; F94-F105 HydrophobicContact CD1-CZ 3.45Å; F94-F105 VanDerWaalsContact CD1-CZ 3.45Å; F94-F105 AromaticContact CE1-CD1 3.81Å; F94-F105 HydrophobicContact CE1-CD1 3.81Å; F94-F105 AromaticContact CE1-CE1 3.83Å; F94-F105 HydrophobicContact CE1-CE1 3.83Å; F94-F105 HydrophobicContact CE1-CG 4.26Å; F94-F105 HydrophobicContact CE1-CZ 4.26Å; F94-F105 HydrophobicContact CG-CE1 4.13Å; F94-F105 HydrophobicContact CG-CE2 4.3Å; F94-F105 AromaticContact CG-CZ 3.84Å; F94-F105 HydrophobicContact CG-CZ 3.84Å; F105-N107 PolarHBondContact O-N 3.36Å; F105-N107 VanDerWaalsContact O-N 3.14Å; F105-N107 PolarHBondContact O-ND2 3.11Å
106	D	93.5	Very high	94	Very high	48 Å²	48	65.8 Å²	65.8	26%	0.257	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	0.5	176.6	72.7	-8.6	0	0	0	113.3	D62 S65 W104 S108	D62-D106 HydrophobicContact CB-CB 3.9Å; S65-D106 VanDerWaalsContact CB-OD2 3.23Å; S65-D106 WeakPolarHBondContact CB-OD2 3.24Å; S65-D106 PolarHBondContact OG-OD2 2.89Å; W104-D106 VanDerWaalsContact C-N 3.26Å; W104-D106 WeakPolarHBondContact CB-OD1 3.4Å; W104-D106 PolarHBondContact O-N 2.54Å; D106-S108 VanDerWaalsContact CG-OG 3.24Å; D106-S108 PolarHBondContact O-N 3.41Å; D106-S108 WeakPolarHBondContact OD1-CB 3.29Å; D106-S108 PolarHBondContact OD1-N 2.9Å; D106-S108 PolarHBondContact OD1-OG 3.39Å; D106-S108 PolarHBondContact OD2-OG 2.92Å
107	N	94.3	Very high	93.7	Very high	139 Å²	139	73 Å²	73	74%	0.743	40%	0.4	S	S	*	.			trans	62.7	17.6	-177.6	-48.1	-76.9	0	0	0	114.3	W104 F105	W104-N107 PolarHBondContact O-N 2.68Å; W104-N107 VanDerWaalsContact O-N 3.13Å; F105-N107 PolarHBondContact O-N 3.36Å; F105-N107 VanDerWaalsContact O-N 3.14Å; F105-N107 PolarHBondContact O-ND2 3.11Å
108	S	95	Very high	93.1	Very high	33 Å²	33	72 Å²	72	23%	0.231	39%	0.389	C	S	.	.			trans	-73	156.1	171.3	65.2	0	0	0	0	111.3	H67 D106	H67-S108 PolarHBondContact CE1-OG 3.01Å; H67-S108 PolarHBondContact NE2-OG 3.35Å; D106-S108 VanDerWaalsContact CG-OG 3.24Å; D106-S108 PolarHBondContact O-N 3.41Å; D106-S108 WeakPolarHBondContact OD1-CB 3.29Å; D106-S108 PolarHBondContact OD1-N 2.9Å; D106-S108 PolarHBondContact OD1-OG 3.39Å; D106-S108 PolarHBondContact OD2-OG 2.92Å
109	N	94.4	Very high	92.1	Very high	130 Å²	130	71.6 Å²	71.6	70%	0.695	39%	0.387	S	S	*	.			trans	-72.3	142.7	178	-69.7	-2.6	0	0	0	111	H67 T111	H67-N109 PolarHBondContact CE1-O 3.35Å; H67-N109 PolarHBondContact ND1-O 3.2Å; N109-T111 HydrophobicContact CB-CG2 4.17Å; N109-T111 PolarHBondContact O-N 3.16Å; N109-T111 VanDerWaalsContact O-N 3.07Å
110	M	94.3	Very high	90.9	Very high	71 Å²	71	72.2 Å²	72.2	35%	0.35	39%	0.391	S	S	.	.			trans	-72.9	97.6	167.7	-178.8	169	-79.1	0	0	109.8	M93 F102	M93-M110 HydrophobicContact CE-CE 4.42Å; M93-M110 HydrophobicContact CG-CE 4.35Å; M93-M110 HydrophobicContact SD-CE 3.14Å; M93-M110 WeakPolarHBondContact SD-CE 3.35Å; F102-M110 HydrophobicContact CB-CE 3.42Å; F102-M110 VanDerWaalsContact CB-CE 3.42Å; F102-M110 HydrophobicContact CB-SD 4.27Å; F102-M110 WeakPolarHBondContact O-CE 3.1Å
111	T	95.8	Very high	89.5	Confident	98 Å²	98	72.4 Å²	72.4	60%	0.601	40%	0.398	S	S	*	.			trans	-105.7	-11.9	-179.5	55.6	0	0	0	0	113.6	H67 N109	H67-T111 WeakPolarHBondContact CB-OG1 3.41Å; H67-T111 PolarHBondContact ND1-OG1 2.03Å; H67-T111 PolarHBondContact O-OG1 3.01Å; N109-T111 HydrophobicContact CB-CG2 4.17Å; N109-T111 PolarHBondContact O-N 3.16Å; N109-T111 VanDerWaalsContact O-N 3.07Å
112	F	97.1	Very high	88.3	Confident	32 Å²	32	76 Å²	76	14%	0.14	41%	0.41	C	S	.	.			trans	-149.7	144.1	-176.3	174.5	-100.5	0	0	0	108.6	I66 H67 E69 N72 K114 W138	I66-F112 HydrophobicContact CG2-CD1 3.92Å; I66-F112 HydrophobicContact CG2-CE1 4.09Å; H67-F112 VanDerWaalsContact O-CB 3.26Å; H67-F112 WeakPolarHBondContact O-CB 3.24Å; E69-F112 HydrophobicContact CB-CE2 4.05Å; E69-F112 HydrophobicContact CB-CZ 4.23Å; N72-F112 HydrophobicContact CB-CE1 3.96Å; N72-F112 HydrophobicContact CB-CZ 4.4Å; F112-K114 HydrophobicContact CE1-CB 4.05Å; F112-K114 HydrophobicContact CZ-CB 4Å; F112-K114 HydrophobicContact CZ-CD 4.18Å; F112-W138 AromaticContact CD1-CH2 3.8Å; F112-W138 HydrophobicContact CD1-CH2 3.8Å; F112-W138 AromaticContact CD1-CZ2 3.73Å; F112-W138 HydrophobicContact CD1-CZ2 3.73Å; F112-W138 HydrophobicContact CE1-CH2 4.25Å; F112-W138 AromaticContact CE1-CZ2 3.74Å; F112-W138 HydrophobicContact CE1-CZ2 3.74Å; F112-W138 VanDerWaalsContact O-CH2 3.29Å; F112-W138 WeakPolarHBondContact O-CH2 3.37Å
113	D	95.4	Very high	87.5	Confident	90 Å²	90	80.8 Å²	80.8	48%	0.481	44%	0.437	S	S	.	.			trans	-145.9	151.6	172.2	63.9	-88.3	0	0	0	110.4	W115 W138	D113-W115 VanDerWaalsContact OD2-CD1 3.27Å; D113-W138 VanDerWaalsContact CA-CZ3 3.43Å; D113-W138 HydrophobicContact CB-CE3 4.3Å; D113-W138 HydrophobicContact CB-CZ3 3.87Å
114	K	96.4	Very high	87	Confident	53 Å²	53	79.5 Å²	79.5	23%	0.23	43%	0.433	C	S	.	.			trans	-140	50.9	178.1	-162.5	165.4	179.4	171.1	0	110.5	E69 F112 G136 E137 W138	E69-K114 IonicContact OE1-NZ 2.77Å; E69-K114 PolarHBondContact OE1-NZ 2.98Å; E69-K114 IonicContact OE2-NZ 3.7Å; F112-K114 HydrophobicContact CE1-CB 4.05Å; F112-K114 HydrophobicContact CZ-CB 4Å; F112-K114 HydrophobicContact CZ-CD 4.18Å; K114-G136 WeakPolarHBondContact CD-O 3.45Å; K114-E137 HydrophobicContact CG-CG 4.45Å; K114-E137 CarbonylContact O-C 3.46Å; K114-E137 VanDerWaalsContact O-CA 3.22Å; K114-E137 WeakPolarHBondContact O-CA 3.28Å; K114-W138 HydrophobicContact CB-CD2 4.41Å; K114-W138 PolarHBondContact O-N 3.36Å
115	W	94.8	Very high	86.4	Confident	59 Å²	59	83.9 Å²	83.9	22%	0.223	46%	0.456	C	S	.	.	B	Isolated β-bridge	trans	-60.6	142	-179.8	-62.7	111.7	0	0	0	111.6	M93 F102 D113 A129 W138 K140	M93-W115 HydrophobicContact CE-CH2 3.17Å; M93-W115 HydrophobicContact CE-CZ2 3.35Å; M93-W115 HydrophobicContact CE-CZ3 4.04Å; M93-W115 HydrophobicContact SD-CH2 4.46Å; M93-W115 HydrophobicContact SD-CZ2 4.24Å; F102-W115 HydrophobicContact CB-CZ2 4.27Å; F102-W115 AromaticContact CD1-CH2 3.89Å; F102-W115 HydrophobicContact CD1-CH2 3.89Å; F102-W115 HydrophobicContact CD1-CZ2 4.14Å; F102-W115 AromaticContact CD2-CH2 3.98Å; F102-W115 HydrophobicContact CD2-CH2 3.98Å; F102-W115 AromaticContact CD2-CZ2 3.6Å; F102-W115 HydrophobicContact CD2-CZ2 3.6Å; F102-W115 AromaticContact CE1-CH2 3.83Å; F102-W115 HydrophobicContact CE1-CH2 3.83Å; F102-W115 HydrophobicContact CE1-CZ2 4.4Å; F102-W115 AromaticContact CE2-CH2 3.93Å; F102-W115 HydrophobicContact CE2-CH2 3.93Å; F102-W115 AromaticContact CE2-CZ2 3.9Å; F102-W115 HydrophobicContact CE2-CZ2 3.9Å; F102-W115 AromaticContact CG-CH2 3.97Å; F102-W115 HydrophobicContact CG-CH2 3.97Å; F102-W115 AromaticContact CG-CZ2 3.73Å; F102-W115 HydrophobicContact CG-CZ2 3.73Å; F102-W115 AromaticContact CZ-CH2 3.85Å; F102-W115 HydrophobicContact CZ-CH2 3.85Å; F102-W115 HydrophobicContact CZ-CZ2 4.3Å; D113-W115 VanDerWaalsContact OD2-CD1 3.27Å; W115-A129 HydrophobicContact CH2-CB 3.76Å; W115-A129 HydrophobicContact CZ3-CB 3.86Å; W115-W138 CarbonylContact C-O 3.5Å; W115-W138 WeakPolarHBondContact CA-O 3.31Å; W115-W138 HydrophobicContact CD2-CB 4.37Å; W115-W138 HydrophobicContact CE3-CB 3.75Å; W115-W138 HydrophobicContact CZ3-CB 4.06Å; W115-K140 HydrophobicContact CE3-CG 4.1Å; W115-K140 HydrophobicContact CH2-CG 4.24Å; W115-K140 HydrophobicContact CZ3-CG 3.68Å
116	T	93.8	Very high	86	Confident	50 Å²	50	87.7 Å²	87.7	31%	0.307	48%	0.476	S	S	.	.			trans	-75.6	153.8	166.8	-158.5	0	0	0	0	109.5	Q118 E137 W138 K139	T116-Q118 VanDerWaalsContact C-N 3.25Å; T116-Q118 HydrophobicContact CG2-CB 4.16Å; T116-Q118 PolarHBondContact O-N 2.91Å; T116-E137 PolarHBondContact OG1-OE2 3.17Å; T116-W138 PolarHBondContact N-O 3.45Å; T116-K139 HydrophobicContact CG2-CB 4.09Å
117	D	85.3	Confident	85.9	Confident	179 Å²	179	86 Å²	86	96%	0.957	47%	0.468	S	S	*	.			trans	-69.1	83.5	175.1	-71.1	-32.4	0	0	0	109.6
118	Q	79.4	Confident	85.8	Confident	62 Å²	62	79.3 Å²	79.3	29%	0.29	43%	0.432	S	S	.	.			trans	-105.9	147.5	175.2	-171.7	172.3	-3.1	0	0	109.6	T116 D120	T116-Q118 VanDerWaalsContact C-N 3.25Å; T116-Q118 HydrophobicContact CG2-CB 4.16Å; T116-Q118 PolarHBondContact O-N 2.91Å; Q118-D120 PolarHBondContact O-N 3.12Å
119	D	70.6	Confident	85.8	Confident	140 Å²	140	77.8 Å²	77.8	75%	0.749	42%	0.421	S	S	*	.			trans	-67	121.6	177.8	-158.5	-2.5	0	0	0	109.8	G121	D119-G121 PolarHBondContact O-N 3.27Å; D119-G121 VanDerWaalsContact O-N 3.12Å
120	D	66.5	Low	85.8	Confident	118 Å²	118	73 Å²	73	63%	0.631	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	10.7	-177.1	-68.6	-44	0	0	0	113.1	Q118 E122 K140	Q118-D120 PolarHBondContact O-N 3.12Å; D120-E122 VanDerWaalsContact C-N 3.27Å; D120-E122 PolarHBondContact O-N 2.6Å; D120-K140 IonicContact OD1-NZ 2.68Å; D120-K140 PolarHBondContact OD1-NZ 3.33Å
121	G	59.4	Low	85.9	Confident	69 Å²	69	69.6 Å²	69.6	71%	0.711	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	3.3	-177.7	0	0	0	0	0	115.7	D119	D119-G121 PolarHBondContact O-N 3.27Å; D119-G121 VanDerWaalsContact O-N 3.12Å
122	E	66.1	Low	85.8	Confident	123 Å²	123	67.2 Å²	67.2	58%	0.575	36%	0.359	S	S	*	.	S	Bend	trans	-89.6	147.4	-179	-65.2	-173.6	-179.3	0	0	112.2	D120 L124	D120-E122 VanDerWaalsContact C-N 3.27Å; D120-E122 PolarHBondContact O-N 2.6Å; E122-L124 PolarHBondContact O-N 2.93Å
123	D	78.6	Confident	85.6	Confident	121 Å²	121	66.3 Å²	66.3	65%	0.647	36%	0.356	S	S	*	.			trans	-63.3	115.5	170.1	-169.8	-7.5	0	0	0	108.8	I125	D123-I125 PolarHBondContact O-N 2.54Å; D123-I125 WeakPolarHBondContact OD1-CB 3.42Å; D123-I125 VanDerWaalsContact OD1-CD1 3.29Å; D123-I125 WeakPolarHBondContact OD1-CD1 3.23Å; D123-I125 WeakPolarHBondContact OD1-CG1 3.28Å; D123-I125 PolarHBondContact OD1-N 3.14Å
124	L	83.6	Confident	85.5	Confident	37 Å²	37	68.2 Å²	68.2	19%	0.194	36%	0.36	C	S	.	.			trans	-82.2	1	-175.3	-61.2	178.9	0	0	0	112.9	Y95 E122 D126 T127 K140	Y95-L124 HydrophobicContact CD1-CB 3.65Å; Y95-L124 WeakPolarHBondContact CD1-O 2.97Å; Y95-L124 HydrophobicContact CD2-CB 4.14Å; Y95-L124 HydrophobicContact CD2-CD1 4.15Å; Y95-L124 HydrophobicContact CE1-CB 3.56Å; Y95-L124 HydrophobicContact CE1-CD1 4.38Å; Y95-L124 HydrophobicContact CE2-CB 4.07Å; Y95-L124 HydrophobicContact CE2-CD1 3.57Å; Y95-L124 HydrophobicContact CE2-CG 4.47Å; Y95-L124 HydrophobicContact CG-CB 3.93Å; E122-L124 PolarHBondContact O-N 2.93Å; L124-D126 PolarHBondContact O-N 3.13Å; L124-T127 VanDerWaalsContact C-OG1 3.31Å; L124-T127 WeakPolarHBondContact CA-OG1 3.48Å; L124-T127 HydrophobicContact CD2-CG2 4.46Å; L124-T127 WeakPolarHBondContact O-CB 3.18Å; L124-T127 PolarHBondContact O-N 3.23Å; L124-T127 PolarHBondContact O-OG1 3.08Å; L124-T127 VanDerWaalsContact O-OG1 3.09Å; L124-K140 HydrophobicContact CD2-CD 4.09Å
125	I	84.8	Confident	85.4	Confident	95 Å²	95	69.2 Å²	69.2	49%	0.487	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	135.4	171.4	-64.1	168.7	0	0	0	108.9	T97 D123 T127	T97-I125 HydrophobicContact CG2-CG1 4.13Å; D123-I125 PolarHBondContact O-N 2.54Å; D123-I125 WeakPolarHBondContact OD1-CB 3.42Å; D123-I125 VanDerWaalsContact OD1-CD1 3.29Å; D123-I125 WeakPolarHBondContact OD1-CD1 3.23Å; D123-I125 WeakPolarHBondContact OD1-CG1 3.28Å; D123-I125 PolarHBondContact OD1-N 3.14Å; I125-T127 PolarHBondContact O-N 2.6Å
126	D	86.5	Confident	85.4	Confident	94 Å²	94	66.4 Å²	66.4	50%	0.503	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	34.6	-178.7	-58.1	-33	0	0	0	114.2	L124 N142 C143	L124-D126 PolarHBondContact O-N 3.13Å; D126-N142 PolarHBondContact O-OD1 2.75Å; D126-C143 VanDerWaalsContact C-SG 3.56Å; D126-C143 WeakPolarHBondContact O-CB 3.37Å; D126-C143 PolarHBondContact O-N 3.36Å; D126-C143 PolarHBondContact O-SG 2.92Å
127	T	91.8	Very high	85.5	Confident	12 Å²	12	67.4 Å²	67.4	7%	0.074	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	129.2	176.8	-63.2	0	0	0	0	112.2	Y95 F102 L124 I125 K140	Y95-T127 WeakPolarHBondContact CB-O 3.26Å; Y95-T127 PolarHBondContact N-O 3.15Å; F102-T127 HydrophobicContact CE1-CG2 3.96Å; F102-T127 HydrophobicContact CZ-CG2 3.91Å; L124-T127 VanDerWaalsContact C-OG1 3.31Å; L124-T127 WeakPolarHBondContact CA-OG1 3.48Å; L124-T127 HydrophobicContact CD2-CG2 4.46Å; L124-T127 WeakPolarHBondContact O-CB 3.18Å; L124-T127 PolarHBondContact O-N 3.23Å; L124-T127 PolarHBondContact O-OG1 3.08Å; L124-T127 VanDerWaalsContact O-OG1 3.09Å; I125-T127 PolarHBondContact O-N 2.6Å; T127-K140 HydrophobicContact CG2-CB 3.79Å; T127-K140 HydrophobicContact CG2-CG 4.38Å
128	C	93.3	Very high	86.1	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	172.2	173.5	-79.1	0	0	0	0	110.3	I49 L90 F130 G141 C143	I49-C128 HydrophobicContact CD1-CB 4.25Å; I49-C128 WeakPolarHBondContact CD1-SG 3.23Å; L90-C128 HydrophobicContact CD1-CB 4.01Å; C128-F130 HydrophobicContact CB-CE2 4.34Å; C128-G141 CarbonylContact C-O 3.58Å; C128-G141 WeakPolarHBondContact CA-O 3.35Å; C128-G141 PolarHBondContact N-O 3.29Å; C128-G141 PolarHBondContact O-N 3.12Å; C128-G141 VanDerWaalsContact O-O 3.06Å; C128-C143 VanDerWaalsContact CA-SG 3.56Å; C128-C143 HydrophobicContact CB-CB 4.01Å; C128-C143 WeakPolarHBondContact CB-SG 3.25Å; C128-C143 PolarHBondContact N-SG 2.92Å; C128-C143 WeakPolarHBondContact SG-CA 3.4Å; C128-C143 WeakPolarHBondContact SG-CB 3.27Å; C128-C143 CovalentContact SG-SG 2.01Å; C128-C143 PolarHBondContact SG-SG 2.68Å
129	A	94.4	Very high	86.7	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	145.1	178.5	0	0	0	0	0	112.9	L91 M93 W115 K139	L91-A129 HydrophobicContact CB-CB 4.38Å; L91-A129 WeakPolarHBondContact CB-O 3.38Å; L91-A129 HydrophobicContact CD1-CB 4.22Å; L91-A129 PolarHBondContact N-O 3.01Å; M93-A129 HydrophobicContact CB-CB 4.1Å; M93-A129 HydrophobicContact CE-CB 3.16Å; M93-A129 HydrophobicContact CG-CB 4.46Å; M93-A129 PolarHBondContact O-N 2.91Å; W115-A129 HydrophobicContact CH2-CB 3.76Å; W115-A129 HydrophobicContact CZ3-CB 3.86Å; A129-K139 WeakPolarHBondContact CA-O 3.32Å
130	F	94.1	Very high	87.8	Confident	29 Å²	29	54.2 Å²	54.2	13%	0.127	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134.6	178.9	-58.8	-101.5	0	0	0	109.9	D88 I89 L90 C128 W138 K139 V145	D88-F130 HydrophobicContact CB-CB 4.32Å; I89-F130 CarbonylContact O-C 3.44Å; I89-F130 WeakPolarHBondContact O-CA 3.3Å; L90-F130 HydrophobicContact CB-CD1 4.16Å; L90-F130 HydrophobicContact CB-CE1 4.07Å; L90-F130 HydrophobicContact CD1-CD1 3.95Å; L90-F130 HydrophobicContact CD1-CE1 3.47Å; L90-F130 VanDerWaalsContact CD1-CE1 3.47Å; L90-F130 HydrophobicContact CD1-CE2 4.08Å; L90-F130 HydrophobicContact CD1-CG 4.44Å; L90-F130 HydrophobicContact CD1-CZ 3.54Å; L90-F130 HydrophobicContact CG-CE1 4.35Å; C128-F130 HydrophobicContact CB-CE2 4.34Å; F130-W138 CarbonylContact O-C 3.24Å; F130-W138 VanDerWaalsContact O-CA 3.27Å; F130-W138 WeakPolarHBondContact O-CA 3.33Å; F130-K139 HydrophobicContact CB-CD 4.42Å; F130-K139 HydrophobicContact CB-CG 3.81Å; F130-K139 PolarHBondContact N-O 3.48Å; F130-K139 PolarHBondContact O-N 3.43Å; F130-V145 HydrophobicContact CE1-CG1 4.32Å; F130-V145 HydrophobicContact CZ-CG1 3.96Å
131	L	95.8	Very high	88.9	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	121.9	171.2	175.6	66.9	0	0	0	109.6	I75 L76 L79 D88 I89 L91	I75-L131 HydrophobicContact CG2-CD2 3.79Å; L76-L131 HydrophobicContact CD2-CD1 4.1Å; L76-L131 HydrophobicContact CD2-CD2 3.98Å; L76-L131 HydrophobicContact CD2-CG 4.1Å; L76-L131 HydrophobicContact CG-CD2 4.4Å; L79-L131 HydrophobicContact CD1-CD2 3.96Å; D88-L131 WeakPolarHBondContact CA-O 3.26Å; I89-L131 PolarHBondContact N-O 2.88Å; I89-L131 PolarHBondContact O-N 2.92Å; L91-L131 HydrophobicContact CD1-CB 4.28Å; L91-L131 HydrophobicContact CD2-CB 3.91Å; L91-L131 HydrophobicContact CG-CB 4.09Å
132	H	94.9	Very high	90.3	Very high	47 Å²	47	50.3 Å²	50.3	22%	0.218	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	113.4	172.4	-167.3	63.3	0	0	0	110.4	D87 D88 K134 T135 G136 E137	D87-H132 CarbonylContact O-C 3.6Å; D87-H132 PolarHBondContact O-ND1 3.04Å; D88-H132 IonicContact OD1-CE1 2.63Å; D88-H132 IonicContact OD1-CG 2.62Å; D88-H132 IonicContact OD1-ND1 3.61Å; D88-H132 PolarHBondContact OD1-ND1 3.42Å; H132-K134 PolarHBondContact O-N 3.47Å; H132-K134 VanDerWaalsContact O-N 3.17Å; H132-T135 PolarHBondContact CD2-OG1 3Å; H132-T135 PolarHBondContact O-N 3.32Å; H132-G136 WeakPolarHBondContact O-CA 3.3Å; H132-G136 PolarHBondContact O-N 3.44Å; H132-E137 PolarHBondContact N-O 3.14Å
133	I	93.1	Very high	91.4	Very high	13 Å²	13	45.2 Å²	45.2	7%	0.067	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-29.8	-170	-61.4	174.6	0	0	0	112.5	L76 L79 K80 W83 S86 D87 I89	L76-I133 WeakPolarHBondContact CD2-O 3.47Å; L79-I133 HydrophobicContact CB-CD1 4.46Å; L79-I133 HydrophobicContact CB-CG2 4.39Å; L79-I133 HydrophobicContact CD1-CG1 4.28Å; K80-I133 WeakPolarHBondContact CE-O 3.31Å; K80-I133 HydrophobicContact CG-CG2 3.86Å; W83-I133 HydrophobicContact CG-CD1 4.18Å; S86-I133 WeakPolarHBondContact O-CD1 3.4Å; D87-I133 WeakPolarHBondContact O-CG1 3.48Å; D87-I133 PolarHBondContact O-N 3.4Å; I89-I133 HydrophobicContact CD1-CD1 4.22Å; I89-I133 HydrophobicContact CG1-CD1 3.8Å; I89-I133 HydrophobicContact CG1-CG1 4.04Å
134	K	91.5	Very high	91.6	Very high	130 Å²	130	46 Å²	46	57%	0.565	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-48.2	-176.5	-65.1	178	179.7	156.5	0	112.1	D87 H132	D87-K134 VanDerWaalsContact CG-CE 3.43Å; D87-K134 VanDerWaalsContact OD1-CE 3.23Å; D87-K134 WeakPolarHBondContact OD1-CE 3.37Å; D87-K134 IonicContact OD1-NZ 3.74Å; D87-K134 WeakPolarHBondContact OD2-CE 3.36Å; D87-K134 IonicContact OD2-NZ 3.46Å; D87-K134 PolarHBondContact OD2-NZ 2.86Å; H132-K134 PolarHBondContact O-N 3.47Å; H132-K134 VanDerWaalsContact O-N 3.17Å
135	T	94.3	Very high	91.4	Very high	75 Å²	75	45.8 Å²	45.8	46%	0.46	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-30.5	-175.7	57.7	0	0	0	0	112.4	H132 E137	H132-T135 PolarHBondContact CD2-OG1 3Å; H132-T135 PolarHBondContact O-N 3.32Å; T135-E137 VanDerWaalsContact C-N 3.31Å; T135-E137 PolarHBondContact OG1-N 2.79Å
136	G	95.2	Very high	91.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.24	C	C	.	.			trans	81.8	10.8	-171.3	0	0	0	0	0	114.8	N72 K114 H132	N72-G136 PolarHBondContact ND2-O 2.84Å; K114-G136 WeakPolarHBondContact CD-O 3.45Å; H132-G136 WeakPolarHBondContact O-CA 3.3Å; H132-G136 PolarHBondContact O-N 3.44Å
137	E	97.1	Very high	91.3	Very high	70 Å²	70	46.5 Å²	46.5	33%	0.327	24%	0.24	S	C	.	.			trans	-92.6	158.5	177.4	-62.4	174.5	165.3	0	0	110.7	K114 T116 H132 T135	K114-E137 HydrophobicContact CG-CG 4.45Å; K114-E137 CarbonylContact O-C 3.46Å; K114-E137 VanDerWaalsContact O-CA 3.22Å; K114-E137 WeakPolarHBondContact O-CA 3.28Å; T116-E137 PolarHBondContact OG1-OE2 3.17Å; H132-E137 PolarHBondContact N-O 3.14Å; T135-E137 VanDerWaalsContact C-N 3.31Å; T135-E137 PolarHBondContact OG1-N 2.79Å
138	W	96.1	Very high	91	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	136.2	-178.3	-50.6	-11.3	0	0	0	109.1	I66 N72 L91 M93 W104 F112 D113 K114 W115 T116 F130	I66-W138 HydrophobicContact CB-CH2 4.11Å; I66-W138 HydrophobicContact CB-CZ2 3.71Å; I66-W138 HydrophobicContact CD1-CZ2 4.02Å; I66-W138 HydrophobicContact CG1-CZ2 4.39Å; I66-W138 HydrophobicContact CG2-CH2 4.49Å; I66-W138 HydrophobicContact CG2-CZ2 3.84Å; N72-W138 PolarHBondContact OD1-NE1 2.91Å; N72-W138 VanDerWaalsContact OD1-NE1 3.08Å; L91-W138 HydrophobicContact CD1-CB 4.38Å; L91-W138 HydrophobicContact CD1-CD2 3.93Å; L91-W138 HydrophobicContact CD1-CE3 4.45Å; L91-W138 HydrophobicContact CD1-CG 3.86Å; M93-W138 HydrophobicContact CE-CE3 3.78Å; M93-W138 HydrophobicContact CE-CZ3 4.05Å; M93-W138 HydrophobicContact SD-CZ3 4.47Å; W104-W138 HydrophobicContact CH2-CH2 4.01Å; W104-W138 HydrophobicContact CH2-CZ3 4.12Å; W104-W138 AromaticContact CZ2-CH2 3.75Å; W104-W138 HydrophobicContact CZ2-CH2 3.75Å; W104-W138 AromaticContact CZ2-CZ3 3.93Å; W104-W138 HydrophobicContact CZ2-CZ3 3.93Å; F112-W138 AromaticContact CD1-CH2 3.8Å; F112-W138 HydrophobicContact CD1-CH2 3.8Å; F112-W138 AromaticContact CD1-CZ2 3.73Å; F112-W138 HydrophobicContact CD1-CZ2 3.73Å; F112-W138 HydrophobicContact CE1-CH2 4.25Å; F112-W138 AromaticContact CE1-CZ2 3.74Å; F112-W138 HydrophobicContact CE1-CZ2 3.74Å; F112-W138 VanDerWaalsContact O-CH2 3.29Å; F112-W138 WeakPolarHBondContact O-CH2 3.37Å; D113-W138 VanDerWaalsContact CA-CZ3 3.43Å; D113-W138 HydrophobicContact CB-CE3 4.3Å; D113-W138 HydrophobicContact CB-CZ3 3.87Å; K114-W138 HydrophobicContact CB-CD2 4.41Å; K114-W138 PolarHBondContact O-N 3.36Å; W115-W138 CarbonylContact C-O 3.5Å; W115-W138 WeakPolarHBondContact CA-O 3.31Å; W115-W138 HydrophobicContact CD2-CB 4.37Å; W115-W138 HydrophobicContact CE3-CB 3.75Å; W115-W138 HydrophobicContact CZ3-CB 4.06Å; T116-W138 PolarHBondContact N-O 3.45Å; F130-W138 CarbonylContact O-C 3.24Å; F130-W138 VanDerWaalsContact O-CA 3.27Å; F130-W138 WeakPolarHBondContact O-CA 3.33Å
139	K	93.6	Very high	90.8	Very high	66 Å²	66	50.6 Å²	50.6	29%	0.287	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	148.2	175.9	65	179.8	-171	176.4	0	110.3	D88 T116 A129 F130	D88-K139 WeakPolarHBondContact OD1-CE 3.38Å; D88-K139 IonicContact OD1-NZ 3.69Å; D88-K139 PolarHBondContact OD1-NZ 3.42Å; D88-K139 IonicContact OD2-NZ 2.74Å; D88-K139 PolarHBondContact OD2-NZ 3.12Å; T116-K139 HydrophobicContact CG2-CB 4.09Å; A129-K139 WeakPolarHBondContact CA-O 3.32Å; F130-K139 HydrophobicContact CB-CD 4.42Å; F130-K139 HydrophobicContact CB-CG 3.81Å; F130-K139 PolarHBondContact N-O 3.48Å; F130-K139 PolarHBondContact O-N 3.43Å
140	K	92.7	Very high	90.5	Very high	38 Å²	38	50.7 Å²	50.7	17%	0.165	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	141.2	173	-60.6	173.6	-172.1	173.7	0	108.2	F102 W115 D120 L124 T127	F102-K140 HydrophobicContact CE2-CD 4.27Å; F102-K140 HydrophobicContact CE2-CG 4.46Å; F102-K140 HydrophobicContact CZ-CD 4.02Å; F102-K140 HydrophobicContact CZ-CG 3.89Å; W115-K140 HydrophobicContact CE3-CG 4.1Å; W115-K140 HydrophobicContact CH2-CG 4.24Å; W115-K140 HydrophobicContact CZ3-CG 3.68Å; D120-K140 IonicContact OD1-NZ 2.68Å; D120-K140 PolarHBondContact OD1-NZ 3.33Å; L124-K140 HydrophobicContact CD2-CD 4.09Å; T127-K140 HydrophobicContact CG2-CB 3.79Å; T127-K140 HydrophobicContact CG2-CG 4.38Å
141	G	90.1	Very high	90.3	Very high	20 Å²	20	49.4 Å²	49.4	21%	0.206	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	163	176.5	0	0	0	0	0	112	C128 C143	C128-G141 CarbonylContact C-O 3.58Å; C128-G141 WeakPolarHBondContact CA-O 3.35Å; C128-G141 PolarHBondContact N-O 3.29Å; C128-G141 PolarHBondContact O-N 3.12Å; C128-G141 VanDerWaalsContact O-O 3.06Å; G141-C143 PolarHBondContact O-N 3.2Å
142	N	89.3	Confident	90.3	Very high	85 Å²	85	49.7 Å²	49.7	46%	0.455	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	134.5	-178.5	-170.6	-14	0	0	0	111.4	D126 E144	D126-N142 PolarHBondContact O-OD1 2.75Å; N142-E144 VanDerWaalsContact C-N 3.27Å; N142-E144 PolarHBondContact O-N 2.64Å; N142-E144 WeakPolarHBondContact OD1-CB 3.24Å; N142-E144 WeakPolarHBondContact OD1-CG 3.41Å; N142-E144 PolarHBondContact OD1-N 2.86Å
143	C	87.8	Confident	90.3	Very high	17 Å²	17	47.4 Å²	47.4	12%	0.115	25%	0.246	C	C	.	.	S	Bend	trans	-67.1	-23.2	173	-63.2	0	0	0	0	113.7	D126 C128 G141 V145	D126-C143 VanDerWaalsContact C-SG 3.56Å; D126-C143 WeakPolarHBondContact O-CB 3.37Å; D126-C143 PolarHBondContact O-N 3.36Å; D126-C143 PolarHBondContact O-SG 2.92Å; C128-C143 VanDerWaalsContact CA-SG 3.56Å; C128-C143 HydrophobicContact CB-CB 4.01Å; C128-C143 WeakPolarHBondContact CB-SG 3.25Å; C128-C143 PolarHBondContact N-SG 2.92Å; C128-C143 WeakPolarHBondContact SG-CA 3.4Å; C128-C143 WeakPolarHBondContact SG-CB 3.27Å; C128-C143 CovalentContact SG-SG 2.01Å; C128-C143 PolarHBondContact SG-SG 2.68Å; G141-C143 PolarHBondContact O-N 3.2Å; C143-V145 PolarHBondContact O-N 3.14Å
144	E	83.9	Confident	90.5	Very high	136 Å²	136	47.4 Å²	47.4	64%	0.636	25%	0.246	S	C	*	.			trans	-73.4	63.6	179	-62.4	-173.7	151.4	0	0	111.9	N142	N142-E144 VanDerWaalsContact C-N 3.27Å; N142-E144 PolarHBondContact O-N 2.64Å; N142-E144 WeakPolarHBondContact OD1-CB 3.24Å; N142-E144 WeakPolarHBondContact OD1-CG 3.41Å; N142-E144 PolarHBondContact OD1-N 2.86Å
145	V	80.1	Confident	90.7	Very high	33 Å²	33	43 Å²	43	20%	0.2	23%	0.229	C	C	.	.			trans	-87.2	128.2	170.8	-66.5	0	0	0	0	109.1	V46 F130 C143 F147 V148	V46-V145 WeakPolarHBondContact CB-O 3.39Å; F130-V145 HydrophobicContact CE1-CG1 4.32Å; F130-V145 HydrophobicContact CZ-CG1 3.96Å; C143-V145 PolarHBondContact O-N 3.14Å; V145-F147 VanDerWaalsContact C-N 3.28Å; V145-F147 PolarHBondContact O-N 2.83Å; V145-V148 HydrophobicContact CB-CG2 4.42Å; V145-V148 HydrophobicContact CG2-CG2 3.57Å
146	S	83.3	Confident	90.6	Very high	91 Å²	91	42.4 Å²	42.4	64%	0.636	23%	0.232	S	C	*	.	S	Bend	trans	-79.4	-15.3	178.9	-38.8	0	0	0	0	113	K45 V46	K45-S146 WeakPolarHBondContact CA-O 3.21Å; K45-S146 WeakPolarHBondContact CG-O 3.18Å; V46-S146 PolarHBondContact N-O 3.29Å; V46-S146 VanDerWaalsContact N-O 3.11Å
147	F	85.3	Confident	90.2	Very high	114 Å²	114	43.1 Å²	43.1	50%	0.5	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	134.9	-171.4	-174	-103.9	0	0	0	110.6	A43 I44 V145 E149	A43-F147 HydrophobicContact CB-CE1 4.37Å; A43-F147 HydrophobicContact CB-CE2 3.81Å; A43-F147 HydrophobicContact CB-CZ 3.43Å; A43-F147 VanDerWaalsContact CB-CZ 3.43Å; I44-F147 WeakPolarHBondContact O-CA 3.49Å; I44-F147 VanDerWaalsContact O-CD2 3.3Å; I44-F147 WeakPolarHBondContact O-CD2 3.5Å; V145-F147 VanDerWaalsContact C-N 3.28Å; V145-F147 PolarHBondContact O-N 2.83Å; F147-E149 HydrophobicContact CD1-CG 4.16Å; F147-E149 HydrophobicContact CE1-CG 3.56Å; F147-E149 HydrophobicContact CZ-CG 4.5Å
148	V	86.2	Confident	89.1	Confident	14 Å²	14	43.2 Å²	43.2	9%	0.085	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	125.2	175.9	173.1	0	0	0	0	107.9	A43 I44 V46 V52 V145 G150	A43-V148 WeakPolarHBondContact CA-O 3.37Å; I44-V148 PolarHBondContact N-O 3.44Å; I44-V148 PolarHBondContact O-N 3.01Å; I44-V148 VanDerWaalsContact O-N 3.09Å; V46-V148 HydrophobicContact CG2-CB 3.89Å; V46-V148 HydrophobicContact CG2-CG2 3.69Å; V52-V148 HydrophobicContact CG2-CG2 4.03Å; V145-V148 HydrophobicContact CB-CG2 4.42Å; V145-V148 HydrophobicContact CG2-CG2 3.57Å; V148-G150 WeakPolarHBondContact CG1-O 3.01Å; V148-G150 PolarHBondContact O-N 2.73Å
149	E	87.5	Confident	87.4	Confident	83 Å²	83	51.9 Å²	51.9	39%	0.388	28%	0.276	S	S	.	.	S	Bend	trans	-75	-15.1	-177.1	-71.8	-178.7	157.6	0	0	113.2	W83 G85 S86 F147	W83-E149 VanDerWaalsContact CH2-C 3.49Å; W83-E149 HydrophobicContact CH2-CB 3.55Å; W83-E149 HydrophobicContact CZ2-CB 4.02Å; W83-E149 HydrophobicContact CZ3-CB 4.43Å; G85-E149 WeakPolarHBondContact CA-OE2 3.43Å; S86-E149 PolarHBondContact N-OE2 3.11Å; F147-E149 HydrophobicContact CD1-CG 4.16Å; F147-E149 HydrophobicContact CE1-CG 3.56Å; F147-E149 HydrophobicContact CZ-CG 4.5Å
150	G	88.3	Confident	85.4	Confident	3 Å²	3	56.7 Å²	56.7	3%	0.031	30%	0.297	C	S	.	.			trans	173.5	159.6	179.3	0	0	0	0	0	112.6	L40 V148	L40-G150 CarbonylContact O-C 3.46Å; L40-G150 WeakPolarHBondContact O-CA 3.37Å; V148-G150 WeakPolarHBondContact CG1-O 3.01Å; V148-G150 PolarHBondContact O-N 2.73Å
151	T	90.7	Very high	83.5	Confident	2 Å²	2	64.6 Å²	64.6	1%	0.012	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	148.2	-177.7	-175.3	0	0	0	0	110.9	F39 L40 V52 Q55	F39-T151 VanDerWaalsContact CD2-O 3.3Å; F39-T151 WeakPolarHBondContact CD2-O 3.15Å; L40-T151 HydrophobicContact CB-CG2 3.8Å; L40-T151 HydrophobicContact CD1-CG2 3.87Å; L40-T151 HydrophobicContact CG-CG2 4.22Å; L40-T151 PolarHBondContact N-O 2.74Å; L40-T151 PolarHBondContact O-N 3.37Å; V52-T151 HydrophobicContact CG1-CG2 4.47Å; V52-T151 WeakPolarHBondContact CG1-OG1 3.29Å; Q55-T151 HydrophobicContact CB-CG2 4Å
152	L	94.4	Very high	81.4	Confident	6 Å²	6	66.5 Å²	66.5	3%	0.031	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122	176.2	-174.5	64.3	0	0	0	108.7	F39 I64 I75	F39-L152 HydrophobicContact CB-CD1 4.07Å; F39-L152 HydrophobicContact CD2-CB 4Å; F39-L152 HydrophobicContact CD2-CD1 3.81Å; F39-L152 HydrophobicContact CD2-CG 4.48Å; F39-L152 HydrophobicContact CE2-CB 4.36Å; F39-L152 HydrophobicContact CG-CD1 4.35Å; I64-L152 HydrophobicContact CB-CB 4.1Å; I64-L152 HydrophobicContact CB-CD2 4.01Å; I64-L152 HydrophobicContact CB-CG 3.94Å; I64-L152 WeakPolarHBondContact CB-O 3.27Å; I64-L152 HydrophobicContact CD1-CD2 4.11Å; I64-L152 HydrophobicContact CD1-CG 4.31Å; I64-L152 HydrophobicContact CG1-CD2 3.79Å; I64-L152 HydrophobicContact CG1-CG 4.17Å; I64-L152 HydrophobicContact CG2-CB 4.02Å; I64-L152 HydrophobicContact CG2-CD2 4.19Å; I64-L152 HydrophobicContact CG2-CG 4.31Å; I64-L152 PolarHBondContact N-O 3Å; I75-L152 HydrophobicContact CB-CD2 4.48Å; I75-L152 HydrophobicContact CD1-CD2 3.76Å; I75-L152 HydrophobicContact CG1-CD2 4.35Å; I75-L152 HydrophobicContact CG2-CD2 3.41Å; I75-L152 VanDerWaalsContact CG2-CD2 3.41Å
153	C	95.8	Very high	79.5	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	147.8	-175.5	-50.2	0	0	0	0	110.7	Y37 I38 C56 A61 D62	Y37-C153 VanDerWaalsContact CA-O 3.29Å; Y37-C153 WeakPolarHBondContact CA-O 3.44Å; I38-C153 HydrophobicContact CG2-CB 3.71Å; I38-C153 PolarHBondContact N-O 2.67Å; I38-C153 PolarHBondContact O-N 3.3Å; C56-C153 WeakPolarHBondContact CA-SG 3.49Å; C56-C153 HydrophobicContact CB-CB 3.57Å; C56-C153 WeakPolarHBondContact CB-SG 3.31Å; C56-C153 VanDerWaalsContact SG-CA 3.53Å; C56-C153 WeakPolarHBondContact SG-CB 3.37Å; C56-C153 CovalentContact SG-SG 2.04Å; C56-C153 PolarHBondContact SG-SG 3.36Å; A61-C153 HydrophobicContact CB-CB 3.88Å; D62-C153 CarbonylContact O-C 3.59Å; D62-C153 WeakPolarHBondContact O-CA 3.28Å
154	K	96.8	Very high	78.2	Confident	13 Å²	13	76 Å²	76	6%	0.057	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	140.4	-179.1	177.2	-178	171.2	-179	0	110.5	N35 C36 Y37 A61 D62 I64 S65 H67 E71	N35-K154 HydrophobicContact CB-CG 4.3Å; C36-K154 WeakPolarHBondContact O-CA 3.47Å; Y37-K154 HydrophobicContact CD1-CB 4.15Å; Y37-K154 HydrophobicContact CD1-CG 4.2Å; Y37-K154 HydrophobicContact CE1-CB 4.16Å; Y37-K154 HydrophobicContact CE1-CD 3.75Å; Y37-K154 HydrophobicContact CE1-CG 3.79Å; A61-K154 VanDerWaalsContact CB-O 3.32Å; A61-K154 WeakPolarHBondContact CB-O 3.39Å; D62-K154 PolarHBondContact N-O 2.85Å; D62-K154 PolarHBondContact O-N 2.88Å; I64-K154 HydrophobicContact CD1-CB 4.05Å; I64-K154 HydrophobicContact CD1-CD 4.11Å; S65-K154 WeakPolarHBondContact O-CD 3.13Å; S65-K154 PolarHBondContact O-NZ 3.34Å; S65-K154 WeakPolarHBondContact OG-CD 3.5Å; S65-K154 PolarHBondContact OG-NZ 2.95Å; H67-K154 PolarHBondContact CD2-NZ 3.39Å; H67-K154 PolarHBondContact NE2-NZ 3.47Å; E71-K154 VanDerWaalsContact OE1-CE 3.31Å; E71-K154 WeakPolarHBondContact OE1-CE 3.22Å; E71-K154 IonicContact OE1-NZ 3.78Å; E71-K154 PolarHBondContact OE1-NZ 2.81Å; E71-K154 IonicContact OE2-NZ 2.67Å
155	T	95.3	Very high	77.1	Confident	37 Å²	37	72.5 Å²	72.5	23%	0.227	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	144.6	170.8	-165.2	0	0	0	0	110.4	W29 N35 C36 G60 A61	W29-T155 HydrophobicContact CE3-CG2 4.31Å; W29-T155 HydrophobicContact CH2-CG2 4.09Å; W29-T155 HydrophobicContact CZ3-CG2 3.68Å; N35-T155 WeakPolarHBondContact CA-O 3.14Å; C36-T155 HydrophobicContact CB-CG2 3.95Å; C36-T155 PolarHBondContact N-O 2.84Å; C36-T155 PolarHBondContact O-N 2.81Å; G60-T155 PolarHBondContact O-OG1 2.9Å; A61-T155 HydrophobicContact CB-CG2 4.45Å
156	A	92.8	Very high	76.5	Confident	62 Å²	62	74.3 Å²	74.3	51%	0.512	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	142.1	175.8	0	0	0	0	0	110.4	N35 P158	N35-A156 WeakPolarHBondContact OD1-CA 3.43Å; A156-P158 VanDerWaalsContact O-CD 3.29Å; A156-P158 WeakPolarHBondContact O-CD 3.49Å
157	I	88.3	Confident	75.8	Confident	15 Å²	15	73.6 Å²	73.6	8%	0.077	35%	0.354	C	S	.	.			trans	-69.1	120.2	173.8	-60.9	169.3	0	0	0	108.1	A22 Q31 D34 C36 Y159	A22-I157 HydrophobicContact CB-CG2 3.33Å; Q31-I157 HydrophobicContact CG-CD1 3.96Å; D34-I157 WeakPolarHBondContact O-CG1 3.4Å; D34-I157 PolarHBondContact O-N 3.47Å; C36-I157 WeakPolarHBondContact SG-CG1 3.08Å; I157-Y159 PolarHBondContact O-N 2.9Å
158	P	73.6	Confident	75.3	Confident	73 Å²	73	74.7 Å²	74.7	47%	0.474	36%	0.361	S	S	.	.			trans	-72.2	93.6	-177.3	26.9	-32.2	0	0	0	110.6	A156 K160 R161	A156-P158 VanDerWaalsContact O-CD 3.29Å; A156-P158 WeakPolarHBondContact O-CD 3.49Å; P158-K160 PolarHBondContact O-N 2.83Å; P158-R161 PolarHBondContact O-N 2.99Å
159	Y	58.7	Low	74.9	Confident	181 Å²	181	79 Å²	79	71%	0.71	38%	0.382	S	S	*	.	H	α-helix	trans	-50.4	-30.5	176	-108.6	-92.1	0	0	0	113.4	I157	I157-Y159 PolarHBondContact O-N 2.9Å
160	K	53.7	Low	74.6	Confident	168 Å²	168	80 Å²	80	73%	0.73	39%	0.39	S	S	*	.	H	α-helix	trans	-85.3	-23.2	-171.5	-155.7	175.8	-176	-179.2	0	114.9	P158 K162	P158-K160 PolarHBondContact O-N 2.83Å; K160-K162 PolarHBondContact O-N 3.28Å
161	R	52.2	Low	74.4	Confident	203 Å²	203	84 Å²	84	77%	0.766	41%	0.413	S	S	*	.	H	α-helix	trans	-63.9	-31.4	-179.7	-99.6	-169.5	-174.1	167.4	4.5	112	P158 S165	P158-R161 PolarHBondContact O-N 2.99Å; R161-S165 WeakPolarHBondContact O-CB 3.38Å; R161-S165 PolarHBondContact O-N 2.92Å; R161-S165 VanDerWaalsContact O-N 3.11Å
162	K	46	Very low	74.2	Confident	61 Å²	61	86.5 Å²	86.5	27%	0.265	43%	0.431	S	S	.	.	H	α-helix	trans	-76.5	-47.2	-173.9	-166.2	157.2	-171.3	158.3	0	113.5	A20 V21 A22 K160 L164 S165 D166	A20-K162 WeakPolarHBondContact O-CD 3.41Å; A20-K162 WeakPolarHBondContact O-CE 3.2Å; A20-K162 PolarHBondContact O-NZ 3Å; V21-K162 PolarHBondContact O-NZ 2.94Å; A22-K162 HydrophobicContact CB-CD 4.43Å; K160-K162 PolarHBondContact O-N 3.28Å; K162-L164 PolarHBondContact O-N 3.44Å; K162-S165 PolarHBondContact O-N 3.42Å; K162-S165 VanDerWaalsContact O-N 3.12Å; K162-D166 PolarHBondContact O-N 2.84Å
163	Y	49.8	Very low	74	Confident	175 Å²	175	88.9 Å²	88.9	69%	0.686	45%	0.451	S	S	*	.	H	α-helix	trans	-62.1	-33.4	177.6	-145.7	-94.6	0	0	0	112.1	N167	Y163-N167 WeakPolarHBondContact CD1-ND2 3.19Å; Y163-N167 VanDerWaalsContact O-CB 3.28Å; Y163-N167 WeakPolarHBondContact O-CB 3.35Å; Y163-N167 PolarHBondContact O-N 3.07Å; Y163-N167 PolarHBondContact O-ND2 2.8Å
164	L	58.8	Low	73.8	Confident	125 Å²	125	94.3 Å²	94.3	65%	0.654	48%	0.479	S	S	*	.	H	α-helix	trans	-73.6	-38.6	175.9	-132.8	106	0	0	0	112.2	K162 H168	K162-L164 PolarHBondContact O-N 3.44Å; L164-H168 VanDerWaalsContact O-CB 3.29Å; L164-H168 WeakPolarHBondContact O-CB 3.38Å; L164-H168 PolarHBondContact O-N 3.41Å
165	S	62.5	Low	73.7	Confident	63 Å²	63	97.4 Å²	97.4	44%	0.441	50%	0.499	S	S	.	.	H	α-helix	trans	-69.7	-45.1	178.8	-172.2	0	0	0	0	112.1	R161 K162 N167 H168 I169	R161-S165 WeakPolarHBondContact O-CB 3.38Å; R161-S165 PolarHBondContact O-N 2.92Å; R161-S165 VanDerWaalsContact O-N 3.11Å; K162-S165 PolarHBondContact O-N 3.42Å; K162-S165 VanDerWaalsContact O-N 3.12Å; S165-N167 PolarHBondContact O-N 2.78Å; S165-H168 PolarHBondContact O-N 3.45Å; S165-I169 VanDerWaalsContact O-CG1 3.31Å; S165-I169 WeakPolarHBondContact O-CG1 3.27Å; S165-I169 PolarHBondContact O-N 2.8Å
166	D	66.7	Low	73.7	Confident	72 Å²	72	100.3 Å²	100.3	39%	0.385	51%	0.512	S	S	.	.	H	α-helix	trans	-65.2	-41.9	178.7	-72.5	-24.3	0	0	0	111.3	K162 H168 I169 L170	K162-D166 PolarHBondContact O-N 2.84Å; D166-H168 PolarHBondContact O-N 3.17Å; D166-I169 PolarHBondContact O-N 3.45Å; D166-L170 WeakPolarHBondContact O-CB 3.03Å; D166-L170 WeakPolarHBondContact O-CG 3.03Å; D166-L170 PolarHBondContact O-N 3.3Å
167	N	68.9	Low	73.8	Confident	75 Å²	75	99.7 Å²	99.7	40%	0.401	51%	0.507	S	S	.	.	H	α-helix	trans	-63.5	-40.6	173.6	-73.4	-13	0	0	0	111.8	Y163 S165 L170 V171	Y163-N167 WeakPolarHBondContact CD1-ND2 3.19Å; Y163-N167 VanDerWaalsContact O-CB 3.28Å; Y163-N167 WeakPolarHBondContact O-CB 3.35Å; Y163-N167 PolarHBondContact O-N 3.07Å; Y163-N167 PolarHBondContact O-ND2 2.8Å; S165-N167 PolarHBondContact O-N 2.78Å; N167-L170 PolarHBondContact O-N 2.89Å; N167-V171 VanDerWaalsContact O-CB 3.27Å; N167-V171 WeakPolarHBondContact O-CB 3.47Å; N167-V171 WeakPolarHBondContact O-CG2 3.33Å; N167-V171 PolarHBondContact O-N 3Å
168	H	73.8	Confident	74.1	Confident	138 Å²	138	102 Å²	102	64%	0.639	52%	0.524	S	S	*	.	H	α-helix	trans	-65.4	-39.1	177.2	-173.1	-90.7	0	0	0	112.1	L164 S165 D166 S172	L164-H168 VanDerWaalsContact O-CB 3.29Å; L164-H168 WeakPolarHBondContact O-CB 3.38Å; L164-H168 PolarHBondContact O-N 3.41Å; S165-H168 PolarHBondContact O-N 3.45Å; D166-H168 PolarHBondContact O-N 3.17Å; H168-S172 WeakPolarHBondContact O-CB 3.45Å; H168-S172 PolarHBondContact O-N 3.08Å
169	I	78.5	Confident	75.2	Confident	104 Å²	104	103 Å²	103	53%	0.533	53%	0.525	S	S	.	.	H	α-helix	trans	-66.2	-46.2	175.8	-68	168.7	0	0	0	110.6	S165 D166 S172 A173	S165-I169 VanDerWaalsContact O-CG1 3.31Å; S165-I169 WeakPolarHBondContact O-CG1 3.27Å; S165-I169 PolarHBondContact O-N 2.8Å; D166-I169 PolarHBondContact O-N 3.45Å; I169-S172 PolarHBondContact O-N 3.17Å; I169-A173 VanDerWaalsContact O-CB 3.32Å; I169-A173 WeakPolarHBondContact O-CB 3.3Å; I169-A173 PolarHBondContact O-N 3.48Å
170	L	81.3	Confident	77	Confident	105 Å²	105	98.3 Å²	98.3	55%	0.55	52%	0.515	S	S	.	.	H	α-helix	trans	-61.5	-47.6	177	-79.7	161.3	0	0	0	111.9	D166 N167 A173 L174	D166-L170 WeakPolarHBondContact O-CB 3.03Å; D166-L170 WeakPolarHBondContact O-CG 3.03Å; D166-L170 PolarHBondContact O-N 3.3Å; N167-L170 PolarHBondContact O-N 2.89Å; L170-A173 PolarHBondContact O-N 3.23Å; L170-L174 WeakPolarHBondContact O-CB 3.42Å; L170-L174 VanDerWaalsContact O-CG 3.29Å; L170-L174 WeakPolarHBondContact O-CG 3.46Å; L170-L174 PolarHBondContact O-N 3.1Å
171	V	83.4	Confident	79.1	Confident	87 Å²	87	94.9 Å²	94.9	53%	0.527	50%	0.504	S	S	.	.	H	α-helix	trans	-64	-45	178.7	171.3	0	0	0	0	110.6	N167 A173 L174 V175	N167-V171 VanDerWaalsContact O-CB 3.27Å; N167-V171 WeakPolarHBondContact O-CB 3.47Å; N167-V171 WeakPolarHBondContact O-CG2 3.33Å; N167-V171 PolarHBondContact O-N 3Å; V171-A173 PolarHBondContact O-N 2.82Å; V171-L174 PolarHBondContact O-N 3.12Å; V171-V175 HydrophobicContact CG1-CG2 4.38Å; V171-V175 VanDerWaalsContact O-CG2 3.24Å; V171-V175 WeakPolarHBondContact O-CG2 3.01Å; V171-V175 PolarHBondContact O-N 3.44Å
172	S	86.7	Confident	81.2	Confident	54 Å²	54	91 Å²	91	38%	0.378	50%	0.497	S	S	.	.	H	α-helix	trans	-59.1	-45.5	176.1	-177.8	0	0	0	0	111.7	H168 I169 L174 V175 I176	H168-S172 WeakPolarHBondContact O-CB 3.45Å; H168-S172 PolarHBondContact O-N 3.08Å; I169-S172 PolarHBondContact O-N 3.17Å; S172-L174 PolarHBondContact O-N 3.36Å; S172-V175 PolarHBondContact O-N 3.21Å; S172-I176 WeakPolarHBondContact O-CD1 3.37Å; S172-I176 VanDerWaalsContact O-CG1 3.26Å; S172-I176 WeakPolarHBondContact O-CG1 3.18Å; S172-I176 PolarHBondContact O-N 2.83Å
173	A	89.4	Confident	83.6	Confident	55 Å²	55	92.2 Å²	92.2	46%	0.455	51%	0.51	S	S	.	.	H	α-helix	trans	-62.4	-43.2	177.5	0	0	0	0	0	112.6	I169 L170 V171 I176 A177	I169-A173 VanDerWaalsContact O-CB 3.32Å; I169-A173 WeakPolarHBondContact O-CB 3.3Å; I169-A173 PolarHBondContact O-N 3.48Å; L170-A173 PolarHBondContact O-N 3.23Å; V171-A173 PolarHBondContact O-N 2.82Å; A173-I176 PolarHBondContact O-N 3.42Å; A173-A177 WeakPolarHBondContact O-CB 3.19Å; A173-A177 PolarHBondContact O-N 2.9Å
174	L	92.6	Very high	85.9	Confident	115 Å²	115	87.6 Å²	87.6	60%	0.602	50%	0.5	S	S	*	.	H	α-helix	trans	-64.4	-39.4	177.1	-72.6	173.1	0	0	0	112.3	L170 V171 S172 S178	L170-L174 WeakPolarHBondContact O-CB 3.42Å; L170-L174 VanDerWaalsContact O-CG 3.29Å; L170-L174 WeakPolarHBondContact O-CG 3.46Å; L170-L174 PolarHBondContact O-N 3.1Å; V171-L174 PolarHBondContact O-N 3.12Å; S172-L174 PolarHBondContact O-N 3.36Å; L174-S178 WeakPolarHBondContact O-CB 3.09Å; L174-S178 PolarHBondContact O-N 2.85Å; L174-S178 PolarHBondContact O-OG 2.91Å
175	V	95.2	Very high	87.7	Confident	77 Å²	77	85.8 Å²	85.8	47%	0.467	49%	0.49	S	S	.	.	H	α-helix	trans	-64.9	-47.4	176.8	170.6	0	0	0	0	110.5	V171 S172 A177 S178 I179	V171-V175 HydrophobicContact CG1-CG2 4.38Å; V171-V175 VanDerWaalsContact O-CG2 3.24Å; V171-V175 WeakPolarHBondContact O-CG2 3.01Å; V171-V175 PolarHBondContact O-N 3.44Å; S172-V175 PolarHBondContact O-N 3.21Å; V175-A177 PolarHBondContact O-N 2.74Å; V175-S178 PolarHBondContact O-N 2.86Å; V175-I179 HydrophobicContact CG1-CD1 3.81Å; V175-I179 VanDerWaalsContact O-CG1 3.32Å; V175-I179 WeakPolarHBondContact O-CG1 3.13Å; V175-I179 PolarHBondContact O-N 2.04Å
176	I	94.5	Very high	89.3	Confident	99 Å²	99	84.5 Å²	84.5	51%	0.508	49%	0.487	S	S	.	.	H	α-helix	trans	-60.4	-47.1	178.3	-66.8	164	0	0	0	110.6	S172 A173 S178 I179 V180	S172-I176 WeakPolarHBondContact O-CD1 3.37Å; S172-I176 VanDerWaalsContact O-CG1 3.26Å; S172-I176 WeakPolarHBondContact O-CG1 3.18Å; S172-I176 PolarHBondContact O-N 2.83Å; A173-I176 PolarHBondContact O-N 3.42Å; I176-S178 VanDerWaalsContact C-N 3.32Å; I176-S178 PolarHBondContact O-N 3.42Å; I176-I179 PolarHBondContact O-N 2.91Å; I176-V180 WeakPolarHBondContact O-CG2 3.47Å; I176-V180 PolarHBondContact O-N 3.43Å
177	A	95.1	Very high	90.7	Very high	48 Å²	48	83.8 Å²	83.8	40%	0.397	49%	0.491	S	S	.	.	H	α-helix	trans	-59.4	-42.8	177.8	0	0	0	0	0	112	A173 V175 I179 V180 I181	A173-A177 WeakPolarHBondContact O-CB 3.19Å; A173-A177 PolarHBondContact O-N 2.9Å; V175-A177 PolarHBondContact O-N 2.74Å; A177-I179 PolarHBondContact O-N 3.31Å; A177-V180 PolarHBondContact O-N 2.96Å; A177-I181 WeakPolarHBondContact O-CD1 3.46Å; A177-I181 VanDerWaalsContact O-CG1 3.23Å; A177-I181 WeakPolarHBondContact O-CG1 3.49Å; A177-I181 PolarHBondContact O-N 2.91Å
178	S	95.5	Very high	92	Very high	63 Å²	63	84.3 Å²	84.3	44%	0.441	49%	0.493	S	S	.	.	H	α-helix	trans	-63.2	-42.3	178.7	-59.1	0	0	0	0	112.2	L174 V175 I176 I181 L182	L174-S178 WeakPolarHBondContact O-CB 3.09Å; L174-S178 PolarHBondContact O-N 2.85Å; L174-S178 PolarHBondContact O-OG 2.91Å; V175-S178 PolarHBondContact O-N 2.86Å; I176-S178 VanDerWaalsContact C-N 3.32Å; I176-S178 PolarHBondContact O-N 3.42Å; S178-I181 PolarHBondContact O-N 3Å; S178-L182 VanDerWaalsContact O-CG 3.31Å; S178-L182 WeakPolarHBondContact O-CG 3.23Å; S178-L182 PolarHBondContact O-N 3.19Å
179	I	95.7	Very high	93	Very high	96 Å²	96	83.1 Å²	83.1	49%	0.492	49%	0.49	S	S	.	.	H	α-helix	trans	-63.6	-43.6	177.1	-67.4	165.9	0	0	0	110.8	V175 I176 A177 I181 L182 T183	V175-I179 HydrophobicContact CG1-CD1 3.81Å; V175-I179 VanDerWaalsContact O-CG1 3.32Å; V175-I179 WeakPolarHBondContact O-CG1 3.13Å; V175-I179 PolarHBondContact O-N 2.04Å; I176-I179 PolarHBondContact O-N 2.91Å; A177-I179 PolarHBondContact O-N 3.31Å; I179-I181 VanDerWaalsContact C-N 3.35Å; I179-I181 PolarHBondContact O-N 3.18Å; I179-L182 PolarHBondContact O-N 2.79Å; I179-T183 WeakPolarHBondContact O-CG2 3.29Å; I179-T183 PolarHBondContact O-N 2.77Å; I179-T183 PolarHBondContact O-OG1 3.27Å
180	V	97	Very high	93.8	Very high	81 Å²	81	85.7 Å²	85.7	49%	0.491	49%	0.493	S	S	.	.	H	α-helix	trans	-63	-42.8	177.8	174.1	0	0	0	0	110.9	I176 A177 L182 T183 V184	I176-V180 WeakPolarHBondContact O-CG2 3.47Å; I176-V180 PolarHBondContact O-N 3.43Å; A177-V180 PolarHBondContact O-N 2.96Å; V180-L182 PolarHBondContact O-N 2.96Å; V180-T183 PolarHBondContact O-N 2.89Å; V180-T183 PolarHBondContact O-OG1 2.93Å; V180-V184 VanDerWaalsContact O-CG2 3.3Å; V180-V184 WeakPolarHBondContact O-CG2 3.42Å; V180-V184 PolarHBondContact O-N 3.44Å; V180-V184 VanDerWaalsContact O-N 3.08Å
181	I	96.7	Very high	94.5	Very high	97 Å²	97	86.8 Å²	86.8	50%	0.497	49%	0.494	S	S	.	.	H	α-helix	trans	-62	-45.7	177.6	-68.5	163.3	0	0	0	110.9	A177 S178 I179 T183 V184 L185	A177-I181 WeakPolarHBondContact O-CD1 3.46Å; A177-I181 VanDerWaalsContact O-CG1 3.23Å; A177-I181 WeakPolarHBondContact O-CG1 3.49Å; A177-I181 PolarHBondContact O-N 2.91Å; S178-I181 PolarHBondContact O-N 3Å; I179-I181 VanDerWaalsContact C-N 3.35Å; I179-I181 PolarHBondContact O-N 3.18Å; I181-T183 PolarHBondContact O-N 3.2Å; I181-V184 PolarHBondContact O-N 2.89Å; I181-L185 HydrophobicContact CG2-CD1 3.77Å; I181-L185 HydrophobicContact CG2-CG 4.27Å; I181-L185 WeakPolarHBondContact O-CB 3.35Å; I181-L185 VanDerWaalsContact O-CG 3.29Å; I181-L185 WeakPolarHBondContact O-CG 2.96Å; I181-L185 PolarHBondContact O-N 2.97Å
182	L	96.8	Very high	94.8	Very high	120 Å²	120	87.5 Å²	87.5	63%	0.628	49%	0.494	S	S	*	.	H	α-helix	trans	-64.6	-39	-179.8	-70.9	173.3	0	0	0	112.7	S178 I179 V180 G186	S178-L182 VanDerWaalsContact O-CG 3.31Å; S178-L182 WeakPolarHBondContact O-CG 3.23Å; S178-L182 PolarHBondContact O-N 3.19Å; I179-L182 PolarHBondContact O-N 2.79Å; V180-L182 PolarHBondContact O-N 2.96Å; L182-G186 PolarHBondContact O-N 3.03Å
183	T	96.8	Very high	95	Very high	88 Å²	88	92.9 Å²	92.9	54%	0.54	51%	0.507	S	S	.	.	H	α-helix	trans	-67.3	-40.4	177.3	53.9	0	0	0	0	111.9	I179 V180 I181 G186 A187	I179-T183 WeakPolarHBondContact O-CG2 3.29Å; I179-T183 PolarHBondContact O-N 2.77Å; I179-T183 PolarHBondContact O-OG1 3.27Å; V180-T183 PolarHBondContact O-N 2.89Å; V180-T183 PolarHBondContact O-OG1 2.93Å; I181-T183 PolarHBondContact O-N 3.2Å; T183-G186 PolarHBondContact O-N 2.63Å; T183-A187 WeakPolarHBondContact O-CB 3.01Å; T183-A187 PolarHBondContact O-N 3.21Å
184	V	97.4	Very high	95	Very high	77 Å²	77	95 Å²	95	47%	0.467	51%	0.506	S	S	.	.	H	α-helix	trans	-65.7	-46.8	175.8	172.5	0	0	0	0	111.3	V180 I181 G186 A187 I188	V180-V184 VanDerWaalsContact O-CG2 3.3Å; V180-V184 WeakPolarHBondContact O-CG2 3.42Å; V180-V184 PolarHBondContact O-N 3.44Å; V180-V184 VanDerWaalsContact O-N 3.08Å; I181-V184 PolarHBondContact O-N 2.89Å; V184-G186 VanDerWaalsContact C-N 3.33Å; V184-G186 PolarHBondContact O-N 2.84Å; V184-A187 PolarHBondContact O-N 3.21Å; V184-I188 HydrophobicContact CG1-CD1 3.83Å; V184-I188 HydrophobicContact CG1-CG1 4.5Å; V184-I188 VanDerWaalsContact O-CG1 3.29Å; V184-I188 WeakPolarHBondContact O-CG1 3.35Å; V184-I188 PolarHBondContact O-N 3.45Å
185	L	96.9	Very high	94.6	Very high	87 Å²	87	95.8 Å²	95.8	46%	0.455	51%	0.505	S	S	.	.	H	α-helix	trans	-61.2	-42.7	176.8	-71.2	175	0	0	0	111.5	I181 A187 I188 I189	I181-L185 HydrophobicContact CG2-CD1 3.77Å; I181-L185 HydrophobicContact CG2-CG 4.27Å; I181-L185 WeakPolarHBondContact O-CB 3.35Å; I181-L185 VanDerWaalsContact O-CG 3.29Å; I181-L185 WeakPolarHBondContact O-CG 2.96Å; I181-L185 PolarHBondContact O-N 2.97Å; L185-A187 PolarHBondContact O-N 3.01Å; L185-I188 PolarHBondContact O-N 2.71Å; L185-I189 VanDerWaalsContact O-CG1 3.26Å; L185-I189 WeakPolarHBondContact O-CG1 3.4Å; L185-I189 PolarHBondContact O-N 3.39Å
186	G	96.4	Very high	93.7	Very high	37 Å²	37	97.6 Å²	97.6	38%	0.381	51%	0.508	S	S	.	.	H	α-helix	trans	-59.1	-44.2	174.8	0	0	0	0	0	112.7	L182 T183 V184 I189 W190	L182-G186 PolarHBondContact O-N 3.03Å; T183-G186 PolarHBondContact O-N 2.63Å; V184-G186 VanDerWaalsContact C-N 3.33Å; V184-G186 PolarHBondContact O-N 2.84Å; G186-I189 PolarHBondContact O-N 3.24Å; G186-W190 VanDerWaalsContact O-CB 3.3Å; G186-W190 WeakPolarHBondContact O-CB 3.47Å; G186-W190 PolarHBondContact O-N 3.46Å
187	A	96.2	Very high	92.7	Very high	56 Å²	56	95.9 Å²	95.9	46%	0.463	51%	0.505	S	S	.	.	H	α-helix	trans	-64.7	-40.2	176.6	0	0	0	0	0	112.6	T183 V184 L185 W190 F191	T183-A187 WeakPolarHBondContact O-CB 3.01Å; T183-A187 PolarHBondContact O-N 3.21Å; V184-A187 PolarHBondContact O-N 3.21Å; L185-A187 PolarHBondContact O-N 3.01Å; A187-W190 PolarHBondContact O-N 2.9Å; A187-F191 WeakPolarHBondContact O-CB 3.38Å; A187-F191 PolarHBondContact O-N 3.09Å
188	I	96	Very high	91.2	Very high	86 Å²	86	98.5 Å²	98.5	44%	0.441	51%	0.512	S	S	.	.	H	α-helix	trans	-63.9	-49.1	176	-67.2	165.1	0	0	0	110.3	V184 L185 W190 F191 L192	V184-I188 HydrophobicContact CG1-CD1 3.83Å; V184-I188 HydrophobicContact CG1-CG1 4.5Å; V184-I188 VanDerWaalsContact O-CG1 3.29Å; V184-I188 WeakPolarHBondContact O-CG1 3.35Å; V184-I188 PolarHBondContact O-N 3.45Å; L185-I188 PolarHBondContact O-N 2.71Å; I188-W190 VanDerWaalsContact C-N 3.32Å; I188-W190 PolarHBondContact O-N 3.49Å; I188-F191 PolarHBondContact O-N 3.18Å; I188-L192 HydrophobicContact CG2-CD1 4.06Å; I188-L192 HydrophobicContact CG2-CG 4.36Å; I188-L192 VanDerWaalsContact O-CG 3.32Å; I188-L192 WeakPolarHBondContact O-CG 3.39Å; I188-L192 PolarHBondContact O-N 3.39Å
189	I	95.9	Very high	89.4	Confident	113 Å²	113	99.2 Å²	99.2	58%	0.579	52%	0.517	S	S	*	.	H	α-helix	trans	-59.5	-45.6	178.5	-68.1	165.5	0	0	0	110.3	L185 G186 F191 L192 Y193	L185-I189 VanDerWaalsContact O-CG1 3.26Å; L185-I189 WeakPolarHBondContact O-CG1 3.4Å; L185-I189 PolarHBondContact O-N 3.39Å; G186-I189 PolarHBondContact O-N 3.24Å; I189-F191 VanDerWaalsContact C-N 3.33Å; I189-F191 PolarHBondContact O-N 3.42Å; I189-L192 PolarHBondContact O-N 3.25Å; I189-Y193 WeakPolarHBondContact O-CB 3.07Å; I189-Y193 PolarHBondContact O-N 2.01Å
190	W	94.8	Very high	87.5	Confident	158 Å²	158	103.9 Å²	103.9	60%	0.598	53%	0.529	S	S	*	.	H	α-helix	trans	-59.6	-43.2	176.6	176.1	82.1	0	0	0	112.1	G186 A187 I188 Y193 K194	G186-W190 VanDerWaalsContact O-CB 3.3Å; G186-W190 WeakPolarHBondContact O-CB 3.47Å; G186-W190 PolarHBondContact O-N 3.46Å; A187-W190 PolarHBondContact O-N 2.9Å; I188-W190 VanDerWaalsContact C-N 3.32Å; I188-W190 PolarHBondContact O-N 3.49Å; W190-Y193 PolarHBondContact O-N 2.92Å; W190-K194 HydrophobicContact CH2-CD 4.08Å; W190-K194 HydrophobicContact CZ2-CD 4.08Å; W190-K194 WeakPolarHBondContact O-CB 3.47Å; W190-K194 PolarHBondContact O-N 3.08Å
191	F	94.8	Very high	85.2	Confident	128 Å²	128	108.8 Å²	108.8	56%	0.561	54%	0.544	S	S	*	.	H	α-helix	trans	-64.8	-42.4	177.6	-172.4	-94.7	0	0	0	112.2	A187 I188 I189 K194 K195	A187-F191 WeakPolarHBondContact O-CB 3.38Å; A187-F191 PolarHBondContact O-N 3.09Å; I188-F191 PolarHBondContact O-N 3.18Å; I189-F191 VanDerWaalsContact C-N 3.33Å; I189-F191 PolarHBondContact O-N 3.42Å; F191-K194 PolarHBondContact O-N 3.02Å; F191-K195 WeakPolarHBondContact O-CB 3.45Å; F191-K195 PolarHBondContact O-N 3.37Å
192	L	91.3	Very high	82.8	Confident	103 Å²	103	109.3 Å²	109.3	54%	0.539	55%	0.552	S	S	.	*	H	α-helix	trans	-64.5	-42.7	175.5	-67.6	177.6	0	0	0	111.6	I188 I189 K195 H196	I188-L192 HydrophobicContact CG2-CD1 4.06Å; I188-L192 HydrophobicContact CG2-CG 4.36Å; I188-L192 VanDerWaalsContact O-CG 3.32Å; I188-L192 WeakPolarHBondContact O-CG 3.39Å; I188-L192 PolarHBondContact O-N 3.39Å; I189-L192 PolarHBondContact O-N 3.25Å; L192-K195 PolarHBondContact O-N 2.81Å; L192-H196 WeakPolarHBondContact O-CB 3.3Å; L192-H196 PolarHBondContact O-N 3.31Å
193	Y	89.3	Confident	80.3	Confident	166 Å²	166	109.6 Å²	109.6	65%	0.651	56%	0.559	S	S	*	*	H	α-helix	trans	-61.4	-46.7	175.4	179	-98.8	0	0	0	111.4	I189 W190 K195 H196 S197	I189-Y193 WeakPolarHBondContact O-CB 3.07Å; I189-Y193 PolarHBondContact O-N 2.01Å; W190-Y193 PolarHBondContact O-N 2.92Å; Y193-K195 PolarHBondContact O-N 3.03Å; Y193-H196 PolarHBondContact O-N 3.46Å; Y193-S197 WeakPolarHBondContact O-CB 3.49Å; Y193-S197 PolarHBondContact O-N 3.01Å
194	K	89.3	Confident	77.7	Confident	100 Å²	100	112.3 Å²	112.3	44%	0.435	58%	0.575	S	S	.	*	H	α-helix	trans	-60.6	-46.6	177	-176.1	169.6	-179.1	170	0	111.7	W190 F191 H196 S197 D198	W190-K194 HydrophobicContact CH2-CD 4.08Å; W190-K194 HydrophobicContact CZ2-CD 4.08Å; W190-K194 WeakPolarHBondContact O-CB 3.47Å; W190-K194 PolarHBondContact O-N 3.08Å; F191-K194 PolarHBondContact O-N 3.02Å; K194-H196 VanDerWaalsContact C-N 3.32Å; K194-H196 PolarHBondContact O-N 3.19Å; K194-S197 WeakPolarHBondContact O-CB 3.39Å; K194-S197 PolarHBondContact O-N 3.42Å; K194-S197 VanDerWaalsContact O-N 3.14Å; K194-D198 PolarHBondContact O-N 3.18Å
195	K	86	Confident	75	Confident	132 Å²	132	118.4 Å²	118.4	57%	0.574	60%	0.595	S	S	*	*	H	α-helix	trans	-60.3	-39.9	176.6	-176	176.1	178.8	176.8	0	112.5	F191 L192 Y193 S199	F191-K195 WeakPolarHBondContact O-CB 3.45Å; F191-K195 PolarHBondContact O-N 3.37Å; L192-K195 PolarHBondContact O-N 2.81Å; Y193-K195 PolarHBondContact O-N 3.03Å; K195-S199 WeakPolarHBondContact O-CB 3.41Å; K195-S199 PolarHBondContact O-N 3.43Å; K195-S199 PolarHBondContact O-OG 2.77Å
196	H	75.8	Confident	72	Confident	114 Å²	114	118.8 Å²	118.8	53%	0.528	61%	0.605	S	S	.	*	H	α-helix	trans	-74	-29	177	-166	-61.8	0	0	0	112.5	L192 Y193 K194 R200	L192-H196 WeakPolarHBondContact O-CB 3.3Å; L192-H196 PolarHBondContact O-N 3.31Å; Y193-H196 PolarHBondContact O-N 3.46Å; K194-H196 VanDerWaalsContact C-N 3.32Å; K194-H196 PolarHBondContact O-N 3.19Å; H196-R200 PolarHBondContact O-N 2.62Å
197	S	74	Confident	68.9	Low	63 Å²	63	123.3 Å²	123.3	44%	0.441	63%	0.626	S	S	.	*	H	α-helix	trans	-66.5	-46	171.4	-170.6	0	0	0	0	111	Y193 K194 S199 R200	Y193-S197 WeakPolarHBondContact O-CB 3.49Å; Y193-S197 PolarHBondContact O-N 3.01Å; K194-S197 WeakPolarHBondContact O-CB 3.39Å; K194-S197 PolarHBondContact O-N 3.42Å; K194-S197 VanDerWaalsContact O-N 3.14Å; S197-S199 PolarHBondContact O-N 3.19Å; S197-R200 PolarHBondContact O-N 2.84Å
198	D	63.2	Low	66	Low	103 Å²	103	125 Å²	125	55%	0.551	64%	0.64	S	S	*	*	H	α-helix	trans	-67.4	-35.8	178.4	-70.8	-20.9	0	0	0	112	K194 R200 F201	K194-D198 PolarHBondContact O-N 3.18Å; D198-R200 PolarHBondContact O-N 3.04Å; D198-F201 PolarHBondContact O-N 2.89Å
199	S	57.9	Low	63.3	Low	79 Å²	79	126.7 Å²	126.7	55%	0.552	66%	0.656	S	S	*	*	H	α-helix	trans	-71.1	-15.8	177.7	-56.1	0	0	0	0	113.8	K195 S197 F201	K195-S199 WeakPolarHBondContact O-CB 3.41Å; K195-S199 PolarHBondContact O-N 3.43Å; K195-S199 PolarHBondContact O-OG 2.77Å; S197-S199 PolarHBondContact O-N 3.19Å; S199-F201 VanDerWaalsContact C-N 3.34Å
200	R	54.4	Low	60.2	Low	193 Å²	193	130.7 Å²	130.7	73%	0.728	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-4.2	178.1	-139	-169.9	-65.2	-144.9	1.8	113.1	H196 S197 D198	H196-R200 PolarHBondContact O-N 2.62Å; S197-R200 PolarHBondContact O-N 2.84Å; D198-R200 PolarHBondContact O-N 3.04Å
201	F	49	Very low	57.4	Low	184 Å²	184	128.4 Å²	128.4	81%	0.807	68%	0.681	S	S	*	*	S	Bend	trans	-100.9	-6.4	-174.4	-168.6	-107.2	0	0	0	114.8	D198 S199	D198-F201 PolarHBondContact O-N 2.89Å; S199-F201 VanDerWaalsContact C-N 3.34Å
202	T	46	Very low	54.8	Low	108 Å²	108	127.2 Å²	127.2	66%	0.663	69%	0.686	S	S	*	*	S	Bend	trans	-119.1	59.9	-175.4	58.9	0	0	0	0	113.6
203	T	45.3	Very low	52.2	Low	127 Å²	127	133 Å²	133	78%	0.779	70%	0.702	S	S	*	*			trans	-154.6	70.7	157.8	50.8	0	0	0	0	111.7
204	V	41.5	Very low	49.4	Very low	144 Å²	144	131.8 Å²	131.8	87%	0.873	71%	0.707	S	S	*	*			trans	-156.6	104.9	144.6	-174	0	0	0	0	108.3
205	F	41.1	Very low	47.5	Very low	205 Å²	205	135.6 Å²	135.6	90%	0.899	73%	0.726	S	S	*	*			trans	-151.8	147.6	152.5	-141	-90.2	0	0	0	112
206	S	33.8	Very low	45.3	Very low	96 Å²	96	136.2 Å²	136.2	67%	0.671	74%	0.736	S	S	*	*			trans	87.6	128.3	177.8	-72.5	0	0	0	0	115.9
207	T	31.2	Very low	43.9	Very low	132 Å²	132	137 Å²	137	81%	0.81	75%	0.753	S	S	*	*			cis	-165.3	143.3	20.1	14	0	0	0	0	109.1
208	A	36.3	Very low	42.4	Very low	91 Å²	91	140 Å²	140	75%	0.752	77%	0.768	S	S	*	*			trans	-81.2	155.6	159.3	0	0	0	0	0	109.7
209	P	39.6	Very low	41.5	Very low	121 Å²	121	142.9 Å²	142.9	79%	0.786	78%	0.782	S	S	*	*				-157.2	151.8	85.6	39.7	-19.5	0	0	0	118.6
210	Q	29.3	Very low	40.8	Very low	197 Å²	197	145.8 Å²	145.8	92%	0.921	80%	0.797	S	S	*	*			trans	140	125.1	131.1	-78.2	-163.2	-31.3	0	0	116.6
211	S	36.1	Very low	40.5	Very low	111 Å²	111	142.5 Å²	142.5	78%	0.776	80%	0.798	S	S	*	*			trans	-51.7	170.5	171.7	-153.7	0	0	0	0	114.8
212	P	41.2	Very low	40.5	Very low	102 Å²	102	137.3 Å²	137.3	66%	0.662	80%	0.796	S	S	*	*			cis	-150.3	165.3	24.6	37.9	-13.3	0	0	0	120.5
213	Y	35.7	Very low	40.5	Very low	224 Å²	224	140.1 Å²	140.1	88%	0.878	80%	0.802	S	S	*	*			trans	50.6	116.6	159.3	-74.2	-76.7	0	0	0	120.9
214	N	31.8	Very low	40.6	Very low	142 Å²	142	143.2 Å²	143.2	76%	0.759	81%	0.807	S	S	*	*				-175.6	129.6	91.3	-152.7	28.6	0	0	0	110.2
215	E	48.8	Very low	40.5	Very low	180 Å²	180	141.7 Å²	141.7	84%	0.841	79%	0.794	S	S	*	*			trans	-87.1	126.8	168.2	-59.3	-155.6	141.5	0	0	108.1
216	D	40	Very low	40.5	Very low	144 Å²	144	141 Å²	141	77%	0.77	79%	0.794	S	S	*	*			trans	-159	117.4	152.2	-109.6	-24.4	0	0	0	110.9
217	C	44.9	Very low	41.3	Very low	131 Å²	131	146.1 Å²	146.1	89%	0.885	80%	0.8	S	S	*	*			trans	-78.4	119.7	169.3	-70.6	0	0	0	0	108.6
218	V	44.1	Very low	41.9	Very low	127 Å²	127	145.1 Å²	145.1	77%	0.77	80%	0.795	S	S	*	*			trans	-113.2	116.6	168.3	174.7	0	0	0	0	109.3	V220	V218-V220 PolarHBondContact O-N 3.49Å
219	L	43.2	Very low	42.1	Very low	162 Å²	162	145.9 Å²	145.9	85%	0.848	79%	0.791	S	S	*	*			trans	-63.8	122.6	168.9	-70.8	160.5	0	0	0	109.2	V221	L219-V221 PolarHBondContact O-N 3.11Å
220	V	44.4	Very low	42.1	Very low	140 Å²	140	149.2 Å²	149.2	85%	0.848	80%	0.796	S	S	*	*			trans	-88.6	105.3	165.7	-174.9	0	0	0	0	107.5	V218	V218-V220 PolarHBondContact O-N 3.49Å
221	V	47.2	Very low	42.7	Very low	125 Å²	125	148.6 Å²	148.6	76%	0.758	79%	0.79	S	S	*	*			trans	-67.4	127.8	167.6	172.6	0	0	0	0	108	L219	L219-V221 PolarHBondContact O-N 3.11Å
222	G	48.3	Very low	42.9	Very low	74 Å²	74	156.3 Å²	156.3	76%	0.763	81%	0.814	S	S	*	*			trans	-75.9	119.1	168.6	0	0	0	0	0	109.8
223	E	46.8	Very low	43	Very low	168 Å²	168	159 Å²	159	79%	0.785	82%	0.822	S	S	*	*			trans	-101.1	108.2	172.2	-169.4	170.8	-172.1	0	0	107.9
224	E	47.3	Very low	43.4	Very low	192 Å²	192	155.6 Å²	155.6	90%	0.897	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-86.7	116.9	169.3	-67.7	-174.1	161.5	0	0	108.1	E226	E224-E226 PolarHBondContact O-N 3.09Å
225	N	38.7	Very low	44.1	Very low	111 Å²	111	156.3 Å²	156.3	59%	0.594	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-81.6	116.1	179.2	-69.5	-32.2	0	0	0	110.6	Y227	N225-Y227 HydrophobicContact CB-CE2 4.29Å
226	E	41.5	Very low	43.8	Very low	191 Å²	191	154.9 Å²	154.9	89%	0.893	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-92	122.2	169	-157.6	160.7	148.8	0	0	109.3	E224	E224-E226 PolarHBondContact O-N 3.09Å
227	Y	50.3	Low	44	Very low	203 Å²	203	155.6 Å²	155.6	80%	0.796	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-101.9	127.3	174.4	-72.4	-84.2	0	0	0	110.4	N225	N225-Y227 HydrophobicContact CB-CE2 4.29Å
228	P	43.6	Very low	44	Very low	111 Å²	111	157.3 Å²	157.3	72%	0.721	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-97.2	135.9	172.6	33.8	-28.2	0	0	0	113.5
229	V	41.1	Very low	44	Very low	108 Å²	108	159.4 Å²	159.4	66%	0.655	82%	0.823	S	S	*	*				60.6	124.4	128.6	-171.8	0	0	0	0	120.9	F231	V229-F231 HydrophobicContact CG1-CD2 3.52Å; V229-F231 HydrophobicContact CG1-CE2 3.64Å; V229-F231 HydrophobicContact CG1-CG 4.46Å
230	Q	39.4	Very low	44	Very low	191 Å²	191	159.2 Å²	159.2	89%	0.893	82%	0.821	S	S	*	*			trans	-147	116.3	135.8	-79.4	-173.9	-81.3	0	0	107.4
231	F	41.8	Very low	44	Very low	184 Å²	184	160.8 Å²	160.8	81%	0.807	82%	0.819	S	S	*	*				57.2	94.3	76.3	-76.9	-71	0	0	0	115.1	V229	V229-F231 HydrophobicContact CG1-CD2 3.52Å; V229-F231 HydrophobicContact CG1-CE2 3.64Å; V229-F231 HydrophobicContact CG1-CG 4.46Å
232	E	41.8	Very low	43.7	Very low	272 Å²	272	164.1 Å²	164.1	100%	1.271	83%	0.825	S	S	*	*				-160.3	0	106.3	-96.9	-169.1	127.2	0	0	110.1

Retrieved 232 of 232 residues in 39.2 ms (Link to these results)

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