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Carboxypeptidase B2

Cleaves C-terminal arginine or lysine residues from biologically active peptides such as kinins or anaphylatoxins in the circulation thereby regulating their activities. Down-regulates fibrinolysis by removing C-terminal lysine residues from fibrin that has already been partially degraded by plasmin.

AlphaFold DB , UniProt , Accession A0A096NA31, Species PAPAN (Papio anubis, Olive baboon), Gene CPB2, Length 423 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	39.5	Very low	36.9	Very low	230 Å²	230	144 Å²	144	100%	1.133	82%	0.822	S	S	*	*				0	113.4	0	-84.7	156.2	50.2	0	0	108.4
2	K	36.3	Very low	37.1	Very low	207 Å²	207	144.4 Å²	144.4	90%	0.9	82%	0.817	S	S	*	*			trans	-76.4	130	173.7	-73.4	176.2	174	178.3	0	108.3
3	L	35.3	Very low	37.2	Very low	150 Å²	150	141.4 Å²	141.4	79%	0.785	80%	0.803	S	S	*	*			trans	-117.5	100.8	164.4	-99.6	139.5	0	0	0	107
4	C	36.9	Very low	37	Very low	113 Å²	113	142.4 Å²	142.4	76%	0.764	80%	0.804	S	S	*	*			trans	-74.3	126.5	165.4	-73.1	0	0	0	0	108
5	S	37.6	Very low	36.8	Very low	114 Å²	114	144.7 Å²	144.7	80%	0.797	80%	0.803	S	S	*	*			trans	-112.9	112.2	166.3	-54.5	0	0	0	0	107.5	A7	S5-A7 PolarHBondContact O-N 2.79Å
6	L	36.6	Very low	36.5	Very low	160 Å²	160	142.8 Å²	142.8	84%	0.838	80%	0.801	S	S	*	*			trans	-60.9	123.3	176.4	-90.2	81.7	0	0	0	110
7	A	37.4	Very low	36.3	Very low	101 Å²	101	142.8 Å²	142.8	84%	0.835	79%	0.792	S	S	*	*			trans	-80.8	117.2	163.2	0	0	0	0	0	108.6	S5	S5-A7 PolarHBondContact O-N 2.79Å
8	V	37.7	Very low	36.2	Very low	121 Å²	121	144.3 Å²	144.3	73%	0.733	79%	0.793	S	S	*	*			trans	-85.5	112.1	173.1	176.9	0	0	0	0	108	V10	V8-V10 HydrophobicContact CG1-CG2 4.47Å; V8-V10 PolarHBondContact O-N 2.69Å
9	L	34.3	Very low	36.2	Very low	168 Å²	168	142.9 Å²	142.9	88%	0.88	78%	0.78	S	S	*	*			trans	-74.6	110.2	169.1	-99.5	144.5	0	0	0	108.7
10	V	35.8	Very low	36.4	Very low	111 Å²	111	141.7 Å²	141.7	67%	0.673	78%	0.777	S	S	*	*			trans	-87.2	118.5	169.1	179.4	0	0	0	0	107.8	V8 I12	V8-V10 HydrophobicContact CG1-CG2 4.47Å; V8-V10 PolarHBondContact O-N 2.69Å; V10-I12 PolarHBondContact O-N 2.77Å
11	P	38	Very low	37	Very low	109 Å²	109	140 Å²	140	71%	0.708	76%	0.762	S	S	*	*			trans	-73.6	113	173.7	28.5	-28.7	0	0	0	108.6	V13	P11-V13 PolarHBondContact O-N 2.61Å; P11-V13 VanDerWaalsContact O-N 3.08Å
12	I	40.1	Very low	37.8	Very low	149 Å²	149	133.2 Å²	133.2	76%	0.764	74%	0.742	S	S	*	*			trans	-71.9	99.5	167.2	-63.9	170.1	0	0	0	106.5	V10 L14	V10-I12 PolarHBondContact O-N 2.77Å; I12-L14 HydrophobicContact CG2-CG 4.45Å; I12-L14 PolarHBondContact O-N 3.17Å; I12-L14 VanDerWaalsContact O-N 3.13Å
13	V	38	Very low	39.6	Very low	105 Å²	105	124.4 Å²	124.4	64%	0.636	70%	0.704	S	S	*	*			trans	-72.9	99.4	165.5	179.2	0	0	0	0	106.5	P11 F15	P11-V13 PolarHBondContact O-N 2.61Å; P11-V13 VanDerWaalsContact O-N 3.08Å; V13-F15 HydrophobicContact CG1-CD2 4.09Å; V13-F15 HydrophobicContact CG1-CE2 4.17Å; V13-F15 PolarHBondContact O-N 2.93Å
14	L	34.4	Very low	42.1	Very low	156 Å²	156	118.7 Å²	118.7	82%	0.817	67%	0.673	S	S	*	*			trans	-64.4	97.9	165.1	-88.3	154.2	0	0	0	107.7	I12 C16	I12-L14 HydrophobicContact CG2-CG 4.45Å; I12-L14 PolarHBondContact O-N 3.17Å; I12-L14 VanDerWaalsContact O-N 3.13Å; L14-C16 VanDerWaalsContact C-N 3.33Å; L14-C16 PolarHBondContact O-N 3.44Å
15	F	33.7	Very low	44.8	Very low	177 Å²	177	115 Å²	115	78%	0.776	65%	0.649	S	S	*	*			trans	-65.1	99.9	159.7	-94.3	-90.3	0	0	0	107.2	V13 E17	V13-F15 HydrophobicContact CG1-CD2 4.09Å; V13-F15 HydrophobicContact CG1-CE2 4.17Å; V13-F15 PolarHBondContact O-N 2.93Å; F15-E17 VanDerWaalsContact C-N 3.28Å; F15-E17 PolarHBondContact O-N 3.31Å; F15-E17 VanDerWaalsContact O-N 3.07Å
16	C	33	Very low	47.7	Very low	114 Å²	114	110 Å²	110	77%	0.77	62%	0.615	S	S	*	*			trans	-72	92.4	162.1	-161.8	0	0	0	0	106	L14 Q18	L14-C16 VanDerWaalsContact C-N 3.33Å; L14-C16 PolarHBondContact O-N 3.44Å; C16-Q18 PolarHBondContact O-N 3.5Å
17	E	32.9	Very low	50.6	Low	142 Å²	142	104 Å²	104	66%	0.664	58%	0.583	S	S	*	*			trans	-64.1	93.3	164.2	-79.1	-169.4	154.8	0	0	107.2	F15 H19	F15-E17 VanDerWaalsContact C-N 3.28Å; F15-E17 PolarHBondContact O-N 3.31Å; F15-E17 VanDerWaalsContact O-N 3.07Å; E17-H19 PolarHBondContact O-N 2.71Å; E17-H19 IonicContact OE2-CE1 3.56Å; E17-H19 PolarHBondContact OE2-CE1 2.92Å; E17-H19 IonicContact OE2-NE2 2.75Å; E17-H19 PolarHBondContact OE2-NE2 3.4Å
18	Q	34.7	Very low	53.5	Low	170 Å²	170	99.2 Å²	99.2	79%	0.794	54%	0.543	S	S	*	.			trans	-63.2	88.6	153.6	-82	-177.4	-21.8	0	0	106.1	C16 V20	C16-Q18 PolarHBondContact O-N 3.5Å; Q18-V20 PolarHBondContact O-N 3.3Å
19	H	35.4	Very low	56.4	Low	118 Å²	118	93.4 Å²	93.4	55%	0.546	51%	0.508	S	S	.	.			trans	-63.4	87.6	158.7	-72.6	-52	0	0	0	106.7	E17 F21	E17-H19 PolarHBondContact O-N 2.71Å; E17-H19 IonicContact OE2-CE1 3.56Å; E17-H19 PolarHBondContact OE2-CE1 2.92Å; E17-H19 IonicContact OE2-NE2 2.75Å; E17-H19 PolarHBondContact OE2-NE2 3.4Å; H19-F21 HydrophobicContact CB-CE1 4.37Å; H19-F21 HydrophobicContact CB-CE2 4.21Å; H19-F21 HydrophobicContact CB-CZ 4.08Å; H19-F21 PolarHBondContact O-N 3.24Å
20	V	40.9	Very low	59.5	Low	119 Å²	119	85.6 Å²	85.6	72%	0.721	47%	0.468	S	S	*	.			trans	-61	94.7	156.1	-179.7	0	0	0	0	104	Q18 A22	Q18-V20 PolarHBondContact O-N 3.3Å; V20-A22 PolarHBondContact O-N 3.24Å
21	F	48.5	Very low	62.5	Low	106 Å²	106	80.4 Å²	80.4	47%	0.465	44%	0.436	S	S	.	.			trans	-60.8	108.6	170.1	-72.8	-69.2	0	0	0	105.5	H19 F23	H19-F21 HydrophobicContact CB-CE1 4.37Å; H19-F21 HydrophobicContact CB-CE2 4.21Å; H19-F21 HydrophobicContact CB-CZ 4.08Å; H19-F21 PolarHBondContact O-N 3.24Å; F21-F23 VanDerWaalsContact O-CD2 3.25Å; F21-F23 WeakPolarHBondContact O-CD2 3.46Å; F21-F23 PolarHBondContact O-N 3.23Å
22	A	56.5	Low	65.3	Low	87 Å²	87	77.6 Å²	77.6	72%	0.719	42%	0.415	S	S	*	.			trans	-60.3	106.6	171.7	0	0	0	0	0	106.8	V20	V20-A22 PolarHBondContact O-N 3.24Å
23	F	73.8	Confident	68	Low	23 Å²	23	70.5 Å²	70.5	10%	0.101	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-68	170.1	172.4	-79.4	-90.6	0	0	0	109.2	F21 S25 I102 Q103 I106 W232	F21-F23 VanDerWaalsContact O-CD2 3.25Å; F21-F23 WeakPolarHBondContact O-CD2 3.46Å; F21-F23 PolarHBondContact O-N 3.23Å; F23-S25 PolarHBondContact O-N 3.2Å; F23-S25 VanDerWaalsContact O-N 3.13Å; F23-I102 HydrophobicContact CB-CG2 3.99Å; F23-I102 HydrophobicContact CD1-CG2 3.78Å; F23-I102 HydrophobicContact CE1-CG2 4.42Å; F23-I102 HydrophobicContact CG-CG2 3.84Å; F23-Q103 VanDerWaalsContact CD2-NE2 3.29Å; F23-I106 HydrophobicContact CD2-CD1 4.24Å; F23-I106 HydrophobicContact CE2-CD1 3.66Å; F23-I106 HydrophobicContact CZ-CD1 3.97Å; F23-W232 VanDerWaalsContact CE1-O 3.24Å; F23-W232 WeakPolarHBondContact CE1-O 3.4Å; F23-W232 WeakPolarHBondContact CZ-O 3.42Å
24	Q	87.4	Confident	70.9	Confident	29 Å²	29	73.1 Å²	73.1	14%	0.136	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-59.8	121.9	-179.9	-67.5	108.5	-38.4	0	0	112.4	F71 N235	Q24-F71 HydrophobicContact CB-CE1 4.43Å; Q24-F71 HydrophobicContact CB-CE2 4.44Å; Q24-F71 HydrophobicContact CB-CZ 3.83Å; Q24-N235 PolarHBondContact NE2-OD1 3.2Å
25	S	94.4	Very high	73.9	Confident	36 Å²	36	69 Å²	69	25%	0.252	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-96.3	144.1	164.8	63.2	0	0	0	0	110	F23 S74	F23-S25 PolarHBondContact O-N 3.2Å; F23-S25 VanDerWaalsContact O-N 3.13Å; S25-S74 WeakPolarHBondContact O-CB 3.07Å; S25-S74 PolarHBondContact O-N 3.36Å; S25-S74 PolarHBondContact O-OG 2.95Å; S25-S74 WeakPolarHBondContact OG-CB 3.38Å; S25-S74 PolarHBondContact OG-OG 3.4Å
26	G	97.1	Very high	76.9	Confident	9 Å²	9	64.5 Å²	64.5	9%	0.093	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.7	-164	-176.6	0	0	0	0	0	112.7	V72 V98	G26-V72 VanDerWaalsContact CA-O 3.29Å; G26-V72 WeakPolarHBondContact CA-O 3.47Å; G26-V98 WeakPolarHBondContact O-CB 3.24Å; G26-V98 WeakPolarHBondContact O-CG2 3.34Å; G26-V98 PolarHBondContact O-N 3.12Å
27	Q	98.6	Very high	80	Confident	34 Å²	34	68.4 Å²	68.4	16%	0.159	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	151.4	-178.1	-62.4	-162	-28.5	0	0	111.4	L29 F71 V72 V77 K81 L95 A96	Q27-L29 HydrophobicContact CB-CD2 4.12Å; Q27-F71 CarbonylContact O-C 3.57Å; Q27-F71 WeakPolarHBondContact O-CA 3.3Å; Q27-V72 PolarHBondContact N-O 2.97Å; Q27-V72 VanDerWaalsContact N-O 3.08Å; Q27-V72 PolarHBondContact O-N 3.48Å; Q27-V77 HydrophobicContact CB-CG2 4.22Å; Q27-V77 HydrophobicContact CG-CG1 4.18Å; Q27-V77 HydrophobicContact CG-CG2 4.09Å; Q27-K81 VanDerWaalsContact OE1-CE 3.23Å; Q27-L95 WeakPolarHBondContact CA-O 3.25Å; Q27-L95 WeakPolarHBondContact CB-O 3.47Å; Q27-A96 WeakPolarHBondContact CG-O 3.02Å; Q27-A96 PolarHBondContact NE2-O 3.21Å
28	V	98.6	Very high	83.1	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.9	165.1	-177.2	0	0	0	0	108.4	W54 F70 F71 L94 L95 V98	V28-W54 HydrophobicContact CG1-CD2 4.23Å; V28-W54 HydrophobicContact CG1-CE3 3.94Å; V28-W54 HydrophobicContact CG1-CH2 4.44Å; V28-W54 HydrophobicContact CG1-CZ3 4.03Å; V28-W54 HydrophobicContact CG2-CH2 3.78Å; V28-W54 HydrophobicContact CG2-CZ2 3.71Å; V28-W54 HydrophobicContact CG2-CZ3 4.2Å; V28-F70 WeakPolarHBondContact CA-O 3.42Å; V28-F71 HydrophobicContact CG2-CB 4.35Å; V28-F71 HydrophobicContact CG2-CD2 4.43Å; V28-L94 HydrophobicContact CB-CB 4.4Å; V28-L94 HydrophobicContact CG1-CB 4.22Å; V28-L94 HydrophobicContact CG1-CD1 3.97Å; V28-L94 WeakPolarHBondContact O-CB 3.15Å; V28-L94 PolarHBondContact O-N 3.47Å; V28-L95 HydrophobicContact CB-CB 3.98Å; V28-L95 HydrophobicContact CB-CD1 4.21Å; V28-L95 HydrophobicContact CB-CG 4.18Å; V28-L95 HydrophobicContact CG2-CB 4.2Å; V28-L95 HydrophobicContact CG2-CD1 3.94Å; V28-L95 HydrophobicContact CG2-CG 4.41Å; V28-L95 PolarHBondContact N-O 3.34Å; V28-L95 PolarHBondContact O-N 2.92Å; V28-V98 HydrophobicContact CG2-CG2 3.82Å
29	L	98.7	Very high	86.2	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	151.7	179.9	-53.8	-175.2	0	0	0	110.3	Q27 H69 F70 V72 V80 K81 S92 V93	Q27-L29 HydrophobicContact CB-CD2 4.12Å; L29-H69 WeakPolarHBondContact O-CA 3.36Å; L29-F70 HydrophobicContact CB-CD2 4.43Å; L29-F70 HydrophobicContact CB-CE1 4.23Å; L29-F70 HydrophobicContact CB-CE2 3.9Å; L29-F70 HydrophobicContact CB-CZ 3.79Å; L29-F70 HydrophobicContact CD1-CE2 3.99Å; L29-F70 HydrophobicContact CD1-CZ 4.25Å; L29-F70 HydrophobicContact CG-CE2 4.35Å; L29-F70 PolarHBondContact N-O 2.68Å; L29-F70 PolarHBondContact O-N 2.88Å; L29-V72 HydrophobicContact CD1-CG2 3.82Å; L29-V72 HydrophobicContact CG-CG2 4.15Å; L29-V80 HydrophobicContact CD1-CG1 4.24Å; L29-K81 HydrophobicContact CD1-CG 4.22Å; L29-S92 WeakPolarHBondContact CA-O 3.49Å; L29-V93 HydrophobicContact CD2-CB 4.25Å; L29-V93 HydrophobicContact CD2-CG1 4.34Å; L29-V93 HydrophobicContact CD2-CG2 3.81Å
30	A	98.6	Very high	89.2	Confident	3 Å²	3	56 Å²	56	3%	0.025	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.4	166.4	0	0	0	0	0	110	V68 C91 S92 L94	A30-V68 CarbonylContact C-O 3.53Å; A30-V68 VanDerWaalsContact CA-O 3.29Å; A30-V68 WeakPolarHBondContact CA-O 3.5Å; A30-C91 CarbonylContact O-C 3.54Å; A30-C91 VanDerWaalsContact O-CA 3.3Å; A30-C91 WeakPolarHBondContact O-CA 3.47Å; A30-S92 PolarHBondContact N-O 3.48Å; A30-S92 PolarHBondContact O-N 2.83Å; A30-L94 HydrophobicContact CB-CD1 3.7Å; A30-L94 HydrophobicContact CB-CD2 3.96Å; A30-L94 HydrophobicContact CB-CG 3.74Å
31	A	98.2	Very high	91.9	Very high	2 Å²	2	51.6 Å²	51.6	2%	0.017	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	147.6	174.5	0	0	0	0	0	110.9	L42 V68 F70 I89 P90	A31-L42 HydrophobicContact CB-CD1 4.18Å; A31-L42 HydrophobicContact CB-CD2 3.91Å; A31-V68 PolarHBondContact N-O 3.23Å; A31-V68 PolarHBondContact O-N 3.14Å; A31-F70 HydrophobicContact CB-CE1 3.95Å; A31-F70 HydrophobicContact CB-CZ 4.48Å; A31-I89 HydrophobicContact CB-CG2 3.97Å; A31-P90 WeakPolarHBondContact CA-O 3.34Å
32	L	97.4	Very high	94.2	Very high	51 Å²	51	46.8 Å²	46.8	27%	0.267	24%	0.243	S	C	.	.			trans	-122.3	93.8	178.2	-177.2	61.9	0	0	0	110.8	R34 K66 Q67 P90	L32-R34 PolarHBondContact O-N 2.94Å; L32-K66 VanDerWaalsContact CD1-C 3.49Å; L32-K66 WeakPolarHBondContact CD1-O 3.22Å; L32-Q67 HydrophobicContact CD1-CG 4.18Å; L32-P90 PolarHBondContact N-O 3.09Å
33	P	97.6	Very high	96.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.221	C	C	.	.			trans	-69.2	131	175.7	30.3	-34.8	0	0	0	110.1	Q38 V39 L42 I62 K64 K65 K66 V68	P33-Q38 HydrophobicContact CB-CB 3.88Å; P33-V39 HydrophobicContact CB-CG2 3.91Å; P33-V39 HydrophobicContact CG-CG2 4.13Å; P33-L42 HydrophobicContact CB-CD1 3.74Å; P33-L42 HydrophobicContact CG-CD1 3.62Å; P33-I62 HydrophobicContact CG-CG2 4.13Å; P33-K64 CarbonylContact O-C 3.57Å; P33-K64 WeakPolarHBondContact O-CA 3.43Å; P33-K65 PolarHBondContact O-N 3.35Å; P33-K66 WeakPolarHBondContact CD-O 3.48Å; P33-V68 HydrophobicContact CG-CG2 4.27Å
34	R	97.6	Very high	97.4	Very high	159 Å²	159	48.5 Å²	48.5	60%	0.6	24%	0.24	S	C	*	.			trans	-106.6	-19.5	179.9	-62.1	-175	179.7	-168.1	0.2	113.3	L32	L32-R34 PolarHBondContact O-N 2.94Å
35	T	98	Very high	97.8	Very high	71 Å²	71	47.2 Å²	47.2	44%	0.436	23%	0.234	S	C	.	.	S	Bend	trans	-125.9	158.9	-179	72.5	0	0	0	0	111.2	R37 Q38 V39	T35-R37 PolarHBondContact O-N 3.05Å; T35-Q38 PolarHBondContact O-N 2.83Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.47Å; T35-Q38 PolarHBondContact OG1-N 3.13Å; T35-V39 PolarHBondContact O-N 2.78Å; T35-V39 VanDerWaalsContact O-N 3.08Å
36	S	97.9	Very high	97.9	Very high	81 Å²	81	46.8 Å²	46.8	57%	0.566	23%	0.229	S	C	*	.	H	α-helix	trans	-60.8	-31.7	176.6	-49.7	0	0	0	0	112.6	V39 Q40	S36-V39 WeakPolarHBondContact O-CB 3.39Å; S36-V39 PolarHBondContact O-N 3.36Å; S36-Q40 WeakPolarHBondContact O-CG 3.46Å; S36-Q40 PolarHBondContact O-N 3.13Å; S36-Q40 VanDerWaalsContact O-N 3.1Å
37	R	97.9	Very high	97.7	Very high	197 Å²	197	51.7 Å²	51.7	74%	0.743	26%	0.258	S	S	*	.	H	α-helix	trans	-64.9	-41	173.6	-175.5	177.3	178.1	-178.6	-0.6	111.6	T35 V39 Q40 V41	T35-R37 PolarHBondContact O-N 3.05Å; R37-V39 VanDerWaalsContact C-N 3.33Å; R37-Q40 PolarHBondContact O-N 3.25Å; R37-V41 WeakPolarHBondContact O-CG2 3.42Å; R37-V41 PolarHBondContact O-N 3.15Å
38	Q	98.3	Very high	97.6	Very high	28 Å²	28	54 Å²	54	13%	0.131	27%	0.274	C	S	.	.	H	α-helix	trans	-68.1	-33.5	177	-70.9	-179.7	-26.4	0	0	112.4	P33 T35 V41 L42 G88 I89	P33-Q38 HydrophobicContact CB-CB 3.88Å; T35-Q38 PolarHBondContact O-N 2.83Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.47Å; T35-Q38 PolarHBondContact OG1-N 3.13Å; Q38-V41 PolarHBondContact O-N 3.24Å; Q38-L42 PolarHBondContact O-N 3.49Å; Q38-G88 PolarHBondContact NE2-O 3.08Å; Q38-I89 HydrophobicContact CB-CD1 4.01Å; Q38-I89 HydrophobicContact CB-CG1 3.96Å; Q38-I89 HydrophobicContact CG-CD1 4.15Å; Q38-I89 HydrophobicContact CG-CG1 3.67Å
39	V	98.3	Very high	97.6	Very high	15 Å²	15	56.5 Å²	56.5	9%	0.091	28%	0.284	C	S	.	.	H	α-helix	trans	-58.9	-50.6	170.4	168.4	0	0	0	0	110.4	P33 T35 S36 R37 V41 L42 Q43 I62 K64	P33-V39 HydrophobicContact CB-CG2 3.91Å; P33-V39 HydrophobicContact CG-CG2 4.13Å; T35-V39 PolarHBondContact O-N 2.78Å; T35-V39 VanDerWaalsContact O-N 3.08Å; S36-V39 WeakPolarHBondContact O-CB 3.39Å; S36-V39 PolarHBondContact O-N 3.36Å; R37-V39 VanDerWaalsContact C-N 3.33Å; V39-V41 VanDerWaalsContact C-N 3.3Å; V39-V41 PolarHBondContact O-N 2.85Å; V39-L42 PolarHBondContact O-N 3.11Å; V39-Q43 HydrophobicContact CG1-CG 4.35Å; V39-Q43 WeakPolarHBondContact O-CG 3.3Å; V39-Q43 PolarHBondContact O-N 2.94Å; V39-I62 HydrophobicContact CB-CG2 4.44Å; V39-I62 HydrophobicContact CG1-CB 4.33Å; V39-I62 HydrophobicContact CG1-CG2 3.99Å; V39-I62 WeakPolarHBondContact CG1-O 3.48Å; V39-I62 HydrophobicContact CG2-CG2 4.31Å; V39-K64 HydrophobicContact CG2-CB 4.44Å
40	Q	98	Very high	97.4	Very high	127 Å²	127	63 Å²	63	59%	0.593	32%	0.315	S	S	*	.	H	α-helix	trans	-59.7	-38.5	178.3	-71.5	172.4	-15.4	0	0	112.7	S36 R37 Q43 N44	S36-Q40 WeakPolarHBondContact O-CG 3.46Å; S36-Q40 PolarHBondContact O-N 3.13Å; S36-Q40 VanDerWaalsContact O-N 3.1Å; R37-Q40 PolarHBondContact O-N 3.25Å; Q40-Q43 PolarHBondContact O-N 3.28Å; Q40-N44 WeakPolarHBondContact O-CB 3.19Å; Q40-N44 PolarHBondContact O-N 3.06Å
41	V	98.2	Very high	97.4	Very high	26 Å²	26	63.9 Å²	63.9	16%	0.158	32%	0.319	C	S	.	.	H	α-helix	trans	-61.6	-51	174.6	170.5	0	0	0	0	110.6	R37 Q38 V39 Q43 N44 L45 I89	R37-V41 WeakPolarHBondContact O-CG2 3.42Å; R37-V41 PolarHBondContact O-N 3.15Å; Q38-V41 PolarHBondContact O-N 3.24Å; V39-V41 VanDerWaalsContact C-N 3.3Å; V39-V41 PolarHBondContact O-N 2.85Å; V41-Q43 VanDerWaalsContact C-N 3.31Å; V41-Q43 PolarHBondContact O-N 3.32Å; V41-N44 PolarHBondContact O-N 3.47Å; V41-L45 HydrophobicContact CG1-CD1 4.41Å; V41-L45 HydrophobicContact CG1-CG 4.48Å; V41-L45 WeakPolarHBondContact O-CG 3.35Å; V41-L45 PolarHBondContact O-N 2.95Å; V41-I89 HydrophobicContact CB-CD1 3.91Å; V41-I89 HydrophobicContact CG1-CD1 3.65Å
42	L	98.1	Very high	97.4	Very high	4 Å²	4	65.3 Å²	65.3	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-60.3	-41.4	178.5	-72.3	176.5	0	0	0	112.1	A31 P33 Q38 V39 N44 L45 T46 I62 V68 L84 I89	A31-L42 HydrophobicContact CB-CD1 4.18Å; A31-L42 HydrophobicContact CB-CD2 3.91Å; P33-L42 HydrophobicContact CB-CD1 3.74Å; P33-L42 HydrophobicContact CG-CD1 3.62Å; Q38-L42 PolarHBondContact O-N 3.49Å; V39-L42 PolarHBondContact O-N 3.11Å; L42-N44 VanDerWaalsContact C-N 3.35Å; L42-N44 PolarHBondContact O-N 3.47Å; L42-L45 HydrophobicContact CD2-CD1 4.24Å; L42-L45 PolarHBondContact O-N 3.45Å; L42-T46 WeakPolarHBondContact O-CG2 3.5Å; L42-T46 PolarHBondContact O-N 3.2Å; L42-I62 HydrophobicContact CB-CD1 4.13Å; L42-I62 HydrophobicContact CB-CG2 4.46Å; L42-I62 HydrophobicContact CD1-CG2 4.37Å; L42-V68 HydrophobicContact CD1-CB 4.33Å; L42-V68 HydrophobicContact CD1-CG2 3.89Å; L42-L84 HydrophobicContact CD2-CD2 3.52Å; L42-I89 HydrophobicContact CD2-CD1 4.39Å; L42-I89 HydrophobicContact CD2-CG2 4.5Å; L42-I89 HydrophobicContact CG-CD1 4.19Å
43	Q	98	Very high	97.5	Very high	55 Å²	55	63.8 Å²	63.8	26%	0.257	32%	0.319	S	S	.	.	H	α-helix	trans	-58.4	-47.2	174.9	-73.4	173.3	-27.9	0	0	111.5	V39 Q40 V41 L45 T46 A59 I62	V39-Q43 HydrophobicContact CG1-CG 4.35Å; V39-Q43 WeakPolarHBondContact O-CG 3.3Å; V39-Q43 PolarHBondContact O-N 2.94Å; Q40-Q43 PolarHBondContact O-N 3.28Å; V41-Q43 VanDerWaalsContact C-N 3.31Å; V41-Q43 PolarHBondContact O-N 3.32Å; Q43-L45 PolarHBondContact O-N 3.45Å; Q43-T46 PolarHBondContact O-N 3.01Å; Q43-T46 PolarHBondContact O-OG1 2.83Å; Q43-A59 HydrophobicContact CB-CB 4.48Å; Q43-A59 HydrophobicContact CG-CB 4.24Å; Q43-A59 VanDerWaalsContact CG-O 3.25Å; Q43-A59 WeakPolarHBondContact CG-O 3.49Å; Q43-A59 PolarHBondContact NE2-O 2.98Å; Q43-I62 HydrophobicContact CG-CB 4.31Å; Q43-I62 HydrophobicContact CG-CD1 4.08Å
44	N	97.8	Very high	97.5	Very high	91 Å²	91	64.2 Å²	64.2	49%	0.487	32%	0.321	S	S	.	.	H	α-helix	trans	-65.8	-36.3	179.5	-166.9	-4.9	0	0	0	112.6	Q40 V41 L42 T46 T47 T48	Q40-N44 WeakPolarHBondContact O-CB 3.19Å; Q40-N44 PolarHBondContact O-N 3.06Å; V41-N44 PolarHBondContact O-N 3.47Å; L42-N44 VanDerWaalsContact C-N 3.35Å; L42-N44 PolarHBondContact O-N 3.47Å; N44-T46 VanDerWaalsContact C-N 3.26Å; N44-T46 PolarHBondContact O-N 2.88Å; N44-T47 PolarHBondContact O-N 3.48Å; N44-T47 PolarHBondContact O-OG1 2.95Å; N44-T48 WeakPolarHBondContact O-CB 3.47Å; N44-T48 PolarHBondContact O-N 3.4Å; N44-T48 PolarHBondContact O-OG1 2.92Å; N44-T48 PolarHBondContact OD1-OG1 3.41Å
45	L	97.7	Very high	97.4	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-57.3	-42.1	174.8	-70.3	178.1	0	0	0	111.6	V41 L42 Q43 T47 T48 Y49 I51 H83 L84	V41-L45 HydrophobicContact CG1-CD1 4.41Å; V41-L45 HydrophobicContact CG1-CG 4.48Å; V41-L45 WeakPolarHBondContact O-CG 3.35Å; V41-L45 PolarHBondContact O-N 2.95Å; L42-L45 HydrophobicContact CD2-CD1 4.24Å; L42-L45 PolarHBondContact O-N 3.45Å; Q43-L45 PolarHBondContact O-N 3.45Å; L45-T47 PolarHBondContact O-N 2.88Å; L45-T48 PolarHBondContact O-N 2.59Å; L45-T48 VanDerWaalsContact O-N 3.16Å; L45-Y49 HydrophobicContact CB-CD2 4.44Å; L45-Y49 HydrophobicContact CD2-CD2 3.67Å; L45-Y49 HydrophobicContact CD2-CE2 3.41Å; L45-Y49 VanDerWaalsContact CD2-CE2 3.41Å; L45-Y49 PolarHBondContact O-N 3.03Å; L45-I51 HydrophobicContact CB-CD1 4.07Å; L45-H83 HydrophobicContact CD2-CB 3.95Å; L45-H83 WeakPolarHBondContact CD2-ND1 3.24Å; L45-L84 HydrophobicContact CD1-CD2 3.56Å; L45-L84 HydrophobicContact CD1-CG 3.91Å
46	T	95.7	Very high	97.4	Very high	27 Å²	27	57.3 Å²	57.3	17%	0.166	29%	0.292	C	S	.	.	H	α-helix	trans	-66.5	-19.2	-177.7	65.6	0	0	0	0	114.1	L42 Q43 N44 I51 L53 A59	L42-T46 WeakPolarHBondContact O-CG2 3.5Å; L42-T46 PolarHBondContact O-N 3.2Å; Q43-T46 PolarHBondContact O-N 3.01Å; Q43-T46 PolarHBondContact O-OG1 2.83Å; N44-T46 VanDerWaalsContact C-N 3.26Å; N44-T46 PolarHBondContact O-N 2.88Å; T46-I51 HydrophobicContact CG2-CG2 4.07Å; T46-L53 HydrophobicContact CG2-CD1 4Å; T46-L53 HydrophobicContact CG2-CD2 3.95Å; T46-L53 HydrophobicContact CG2-CG 3.92Å; T46-A59 WeakPolarHBondContact OG1-CB 3.34Å
47	T	93.4	Very high	97.3	Very high	112 Å²	112	53.8 Å²	53.8	69%	0.687	27%	0.267	S	S	*	.	H	α-helix	trans	-101	-16.7	176	55.2	0	0	0	0	113.1	N44 L45	N44-T47 PolarHBondContact O-N 3.48Å; N44-T47 PolarHBondContact O-OG1 2.95Å; L45-T47 PolarHBondContact O-N 2.88Å
48	T	96.3	Very high	97.2	Very high	83 Å²	83	45 Å²	45	51%	0.509	24%	0.236	S	C	.	.	H	α-helix	trans	-93.4	-35.2	-176	-58.8	0	0	0	0	112.4	N44 L45	N44-T48 WeakPolarHBondContact O-CB 3.47Å; N44-T48 PolarHBondContact O-N 3.4Å; N44-T48 PolarHBondContact O-OG1 2.92Å; N44-T48 PolarHBondContact OD1-OG1 3.41Å; L45-T48 PolarHBondContact O-N 2.59Å; L45-T48 VanDerWaalsContact O-N 3.16Å
49	Y	97.3	Very high	97.1	Very high	53 Å²	53	44.7 Å²	44.7	21%	0.208	24%	0.238	C	C	.	.	S	Bend	trans	-117.9	163.1	-175.9	-61.7	-78	0	0	0	110.8	L45 I51 D76 N79 V80	L45-Y49 HydrophobicContact CB-CD2 4.44Å; L45-Y49 HydrophobicContact CD2-CD2 3.67Å; L45-Y49 HydrophobicContact CD2-CE2 3.41Å; L45-Y49 VanDerWaalsContact CD2-CE2 3.41Å; L45-Y49 PolarHBondContact O-N 3.03Å; Y49-I51 VanDerWaalsContact C-N 3.26Å; Y49-I51 PolarHBondContact O-N 3.15Å; Y49-D76 HydrophobicContact CD1-CB 4.04Å; Y49-D76 HydrophobicContact CG-CB 4.49Å; Y49-N79 HydrophobicContact CD1-CB 4.39Å; Y49-N79 HydrophobicContact CE1-CB 3.67Å; Y49-V80 HydrophobicContact CD1-CG2 4.14Å; Y49-V80 HydrophobicContact CD2-CG2 3.77Å; Y49-V80 HydrophobicContact CE2-CG2 4.33Å; Y49-V80 HydrophobicContact CG-CG2 3.65Å
50	E	96.1	Very high	97	Very high	136 Å²	136	49.3 Å²	49.3	64%	0.636	26%	0.261	S	S	*	.			trans	-73.2	80.6	175.3	-71.6	-65	155.2	0	0	110.7	N73 D76	E50-N73 HydrophobicContact CB-CB 3.79Å; E50-N73 PolarHBondContact O-N 3.49Å; E50-D76 PolarHBondContact N-OD2 3.15Å
51	I	98.1	Very high	96.8	Very high	21 Å²	21	44.8 Å²	44.8	11%	0.108	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	134.1	-177.3	-65.9	-176.7	0	0	0	110.2	L45 T46 Y49 F70 F71 V72 V80	L45-I51 HydrophobicContact CB-CD1 4.07Å; T46-I51 HydrophobicContact CG2-CG2 4.07Å; Y49-I51 VanDerWaalsContact C-N 3.26Å; Y49-I51 PolarHBondContact O-N 3.15Å; I51-F70 HydrophobicContact CD1-CD2 4.17Å; I51-F70 HydrophobicContact CD1-CE2 4.27Å; I51-F70 HydrophobicContact CG2-CB 3.79Å; I51-F70 HydrophobicContact CG2-CD2 3.8Å; I51-F70 HydrophobicContact CG2-CG 4.13Å; I51-F71 WeakPolarHBondContact CA-O 3.3Å; I51-V72 HydrophobicContact CD1-CG2 4.47Å; I51-V72 HydrophobicContact CG1-CG1 4.44Å; I51-V72 HydrophobicContact CG1-CG2 4.24Å; I51-V80 HydrophobicContact CD1-CG1 4.39Å; I51-V80 HydrophobicContact CD1-CG2 4.05Å
52	V	98.3	Very high	96.8	Very high	33 Å²	33	43.8 Å²	43.8	20%	0.2	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	113.3	169.1	-175.3	0	0	0	0	109.5	W54 F70 F71 M237	V52-W54 PolarHBondContact O-N 3.45Å; V52-F70 WeakPolarHBondContact O-CA 3.47Å; V52-F71 HydrophobicContact CB-CB 4.37Å; V52-F71 HydrophobicContact CB-CD1 4.23Å; V52-F71 HydrophobicContact CG2-CD1 4.2Å; V52-F71 PolarHBondContact N-O 2.79Å; V52-F71 PolarHBondContact O-N 3.2Å; V52-M237 HydrophobicContact CB-CB 4.27Å; V52-M237 HydrophobicContact CG1-CB 3.84Å; V52-M237 HydrophobicContact CG2-CB 4.4Å
53	L	98.6	Very high	96.6	Very high	18 Å²	18	47.8 Å²	47.8	9%	0.094	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	132.3	177.6	-78.8	167.5	0	0	0	111.3	T46 P56 T58 A59 I62 V68 F70 R183	T46-L53 HydrophobicContact CG2-CD1 4Å; T46-L53 HydrophobicContact CG2-CD2 3.95Å; T46-L53 HydrophobicContact CG2-CG 3.92Å; L53-P56 WeakPolarHBondContact CB-O 3.18Å; L53-T58 VanDerWaalsContact CD1-C 3.48Å; L53-A59 HydrophobicContact CD1-CB 4.12Å; L53-I62 HydrophobicContact CD2-CD1 4.45Å; L53-V68 HydrophobicContact CD2-CG1 3.79Å; L53-F70 HydrophobicContact CD2-CB 4.11Å; L53-R183 PolarHBondContact O-NH1 3.39Å; L53-R183 PolarHBondContact O-NH2 2.63Å; L53-R183 VanDerWaalsContact O-NH2 3.11Å
54	W	98.1	Very high	96.5	Very high	9 Å²	9	51.3 Å²	51.3	3%	0.034	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-44.1	171.2	-79.3	21.4	0	0	0	111.8	V28 V52 H69 L95 M237 Y312 Y392 F394 L395	V28-W54 HydrophobicContact CG1-CD2 4.23Å; V28-W54 HydrophobicContact CG1-CE3 3.94Å; V28-W54 HydrophobicContact CG1-CH2 4.44Å; V28-W54 HydrophobicContact CG1-CZ3 4.03Å; V28-W54 HydrophobicContact CG2-CH2 3.78Å; V28-W54 HydrophobicContact CG2-CZ2 3.71Å; V28-W54 HydrophobicContact CG2-CZ3 4.2Å; V52-W54 PolarHBondContact O-N 3.45Å; W54-H69 WeakPolarHBondContact CA-O 3.36Å; W54-H69 HydrophobicContact CB-CB 4.01Å; W54-H69 WeakPolarHBondContact CB-O 3.41Å; W54-H69 PolarHBondContact N-O 2.92Å; W54-L95 HydrophobicContact CH2-CD1 3.91Å; W54-L95 HydrophobicContact CZ3-CD1 4.31Å; W54-M237 HydrophobicContact CZ2-CE 4.19Å; W54-M237 HydrophobicContact CZ2-SD 3.78Å; W54-M237 PolarHBondContact NE1-SD 3.1Å; W54-M237 VanDerWaalsContact NE1-SD 3.41Å; W54-Y312 HydrophobicContact CB-CE1 4.27Å; W54-Y312 HydrophobicContact CE3-CE1 4Å; W54-Y392 WeakPolarHBondContact CH2-O 3.41Å; W54-Y392 WeakPolarHBondContact CZ3-O 3.35Å; W54-F394 HydrophobicContact CB-CD2 4.27Å; W54-F394 HydrophobicContact CB-CE2 3.68Å; W54-F394 AromaticContact CD1-CD2 3.81Å; W54-F394 AromaticContact CD1-CE2 3.8Å; W54-F394 AromaticContact CD2-CD2 3.44Å; W54-F394 HydrophobicContact CD2-CD2 3.44Å; W54-F394 VanDerWaalsContact CD2-CD2 3.44Å; W54-F394 AromaticContact CD2-CE2 3.81Å; W54-F394 HydrophobicContact CD2-CE2 3.81Å; W54-F394 HydrophobicContact CD2-CG 4.48Å; W54-F394 AromaticContact CE2-CD2 3.55Å; W54-F394 AromaticContact CE3-CD2 3.95Å; W54-F394 HydrophobicContact CE3-CD2 3.95Å; W54-F394 HydrophobicContact CE3-CE2 4.4Å; W54-F394 AromaticContact CG-CD2 3.61Å; W54-F394 HydrophobicContact CG-CD2 3.61Å; W54-F394 AromaticContact CG-CE2 3.48Å; W54-F394 HydrophobicContact CG-CE2 3.48Å; W54-F394 VanDerWaalsContact CG-CE2 3.48Å; W54-F394 HydrophobicContact CH2-CB 4.28Å; W54-F394 HydrophobicContact CZ2-CB 4.23Å; W54-F394 HydrophobicContact CZ2-CD2 4.1Å; W54-F394 HydrophobicContact CZ3-CD2 4.48Å; W54-F394 AromaticContact NE1-CD2 3.76Å; W54-L395 HydrophobicContact CH2-CB 4.17Å; W54-L395 HydrophobicContact CH2-CD1 3.93Å; W54-L395 HydrophobicContact CH2-CG 3.77Å; W54-L395 HydrophobicContact CZ2-CD1 4.07Å; W54-L395 HydrophobicContact CZ2-CG 4.01Å
55	Q	96.3	Very high	96.3	Very high	68 Å²	68	55 Å²	55	32%	0.318	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	127.9	177.6	-178.8	177.2	-7	0	0	109.7	V68 H69 Y312	Q55-V68 CarbonylContact O-C 3.3Å; Q55-V68 VanDerWaalsContact O-CA 3.23Å; Q55-V68 WeakPolarHBondContact O-CA 3.43Å; Q55-H69 HydrophobicContact CB-CB 4.2Å; Q55-H69 PolarHBondContact N-O 3.21Å; Q55-H69 PolarHBondContact O-N 2.93Å; Q55-H69 PolarHBondContact OE1-ND1 3.22Å; Q55-Y312 WeakPolarHBondContact CB-OH 3.4Å
56	P	96.4	Very high	96.1	Very high	17 Å²	17	59.6 Å²	59.6	11%	0.11	30%	0.3	C	S	.	.	S	Bend	cis	-64.5	177.9	-12.5	33.1	-37.5	0	0	0	111.6	L53 T58 L61 I62	L53-P56 WeakPolarHBondContact CB-O 3.18Å; P56-T58 WeakPolarHBondContact CG-O 3.47Å; P56-L61 HydrophobicContact CB-CB 3.62Å; P56-L61 HydrophobicContact CB-CD1 4.36Å; P56-L61 HydrophobicContact CG-CB 3.79Å; P56-I62 HydrophobicContact CG-CG1 3.87Å
57	V	95.8	Very high	96.1	Very high	7 Å²	7	63.4 Å²	63.4	4%	0.042	32%	0.316	C	S	.	.	S	Bend	trans	-70.9	-29.8	-176.1	64	0	0	0	0	113.6	L61 E276 T277 Y363	V57-L61 HydrophobicContact CG1-CD1 3.83Å; V57-E276 HydrophobicContact CG2-CB 4.13Å; V57-T277 HydrophobicContact CB-CG2 4.37Å; V57-T277 HydrophobicContact CG1-CG2 3.54Å; V57-T277 HydrophobicContact CG2-CG2 3.87Å; V57-Y363 HydrophobicContact CG1-CE2 3.59Å; V57-Y363 WeakPolarHBondContact CG1-OH 3.26Å
58	T	96.4	Very high	96.4	Very high	14 Å²	14	58.2 Å²	58.2	9%	0.086	28%	0.284	C	S	.	.	S	Bend	trans	-136.1	156.6	-179.6	54.3	0	0	0	0	111.6	L53 P56 D60 L61 T277	L53-T58 VanDerWaalsContact CD1-C 3.48Å; P56-T58 WeakPolarHBondContact CG-O 3.47Å; T58-D60 VanDerWaalsContact C-N 3.34Å; T58-D60 WeakPolarHBondContact CB-OD1 3.34Å; T58-D60 PolarHBondContact O-N 3.38Å; T58-D60 PolarHBondContact OG1-OD1 3.03Å; T58-L61 PolarHBondContact O-N 3.03Å; T58-L61 WeakPolarHBondContact OG1-CD1 3.35Å; T58-T277 HydrophobicContact CG2-CG2 3.85Å
59	A	96.8	Very high	96.5	Very high	21 Å²	21	54.5 Å²	54.5	17%	0.174	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-66.6	-33	-171.6	0	0	0	0	0	113.4	Q43 T46 L53 L61 I62	Q43-A59 HydrophobicContact CB-CB 4.48Å; Q43-A59 HydrophobicContact CG-CB 4.24Å; Q43-A59 VanDerWaalsContact CG-O 3.25Å; Q43-A59 WeakPolarHBondContact CG-O 3.49Å; Q43-A59 PolarHBondContact NE2-O 2.98Å; T46-A59 WeakPolarHBondContact OG1-CB 3.34Å; L53-A59 HydrophobicContact CD1-CB 4.12Å; A59-L61 PolarHBondContact O-N 2.77Å; A59-I62 HydrophobicContact CB-CD1 4.38Å; A59-I62 WeakPolarHBondContact O-CB 3.39Å; A59-I62 VanDerWaalsContact O-CG1 3.32Å; A59-I62 WeakPolarHBondContact O-CG1 3.34Å; A59-I62 PolarHBondContact O-N 2.98Å
60	D	95.1	Very high	96.5	Very high	111 Å²	111	52.2 Å²	52.2	59%	0.594	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-60.9	-24.4	177.1	59.8	-62	0	0	0	112.9	T58 I62	T58-D60 VanDerWaalsContact C-N 3.34Å; T58-D60 WeakPolarHBondContact CB-OD1 3.34Å; T58-D60 PolarHBondContact O-N 3.38Å; T58-D60 PolarHBondContact OG1-OD1 3.03Å; D60-I62 VanDerWaalsContact C-N 3.33Å
61	L	95.3	Very high	96.6	Very high	32 Å²	32	46 Å²	46	17%	0.168	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-85.6	-0	177.5	-62.3	174.5	0	0	0	113.8	P56 V57 T58 A59 E63 Y363	P56-L61 HydrophobicContact CB-CB 3.62Å; P56-L61 HydrophobicContact CB-CD1 4.36Å; P56-L61 HydrophobicContact CG-CB 3.79Å; V57-L61 HydrophobicContact CG1-CD1 3.83Å; T58-L61 PolarHBondContact O-N 3.03Å; T58-L61 WeakPolarHBondContact OG1-CD1 3.35Å; A59-L61 PolarHBondContact O-N 2.77Å; L61-E63 PolarHBondContact O-N 3.48Å; L61-Y363 HydrophobicContact CD1-CD1 4.41Å; L61-Y363 HydrophobicContact CD1-CD2 3.4Å; L61-Y363 VanDerWaalsContact CD1-CD2 3.4Å; L61-Y363 HydrophobicContact CD1-CE2 3.79Å; L61-Y363 HydrophobicContact CD1-CG 3.78Å; L61-Y363 HydrophobicContact CD2-CD2 4.47Å
62	I	96.5	Very high	96.7	Very high	6 Å²	6	45 Å²	45	3%	0.031	22%	0.218	C	C	.	.			trans	-68.6	120.7	176.9	-65.3	171.9	0	0	0	109	P33 V39 L42 Q43 L53 P56 A59 D60 V68	P33-I62 HydrophobicContact CG-CG2 4.13Å; V39-I62 HydrophobicContact CB-CG2 4.44Å; V39-I62 HydrophobicContact CG1-CB 4.33Å; V39-I62 HydrophobicContact CG1-CG2 3.99Å; V39-I62 WeakPolarHBondContact CG1-O 3.48Å; V39-I62 HydrophobicContact CG2-CG2 4.31Å; L42-I62 HydrophobicContact CB-CD1 4.13Å; L42-I62 HydrophobicContact CB-CG2 4.46Å; L42-I62 HydrophobicContact CD1-CG2 4.37Å; Q43-I62 HydrophobicContact CG-CB 4.31Å; Q43-I62 HydrophobicContact CG-CD1 4.08Å; L53-I62 HydrophobicContact CD2-CD1 4.45Å; P56-I62 HydrophobicContact CG-CG1 3.87Å; A59-I62 HydrophobicContact CB-CD1 4.38Å; A59-I62 WeakPolarHBondContact O-CB 3.39Å; A59-I62 VanDerWaalsContact O-CG1 3.32Å; A59-I62 WeakPolarHBondContact O-CG1 3.34Å; A59-I62 PolarHBondContact O-N 2.98Å; D60-I62 VanDerWaalsContact C-N 3.33Å; I62-V68 HydrophobicContact CB-CG2 4.47Å; I62-V68 HydrophobicContact CD1-CG1 4.15Å; I62-V68 HydrophobicContact CG1-CG1 4.3Å; I62-V68 HydrophobicContact CG1-CG2 4.14Å; I62-V68 HydrophobicContact CG2-CG2 3.69Å
63	E	94.5	Very high	96.7	Very high	88 Å²	88	45.7 Å²	45.7	41%	0.411	22%	0.22	S	C	.	.			trans	-119.9	152.5	-178.6	-70	176.7	-167.6	0	0	112.2	L61 K66	L61-E63 PolarHBondContact O-N 3.48Å; E63-K66 HydrophobicContact CB-CD 4.17Å; E63-K66 HydrophobicContact CB-CG 4.47Å; E63-K66 PolarHBondContact O-N 2.8Å; E63-K66 IonicContact OE1-NZ 3.43Å; E63-K66 WeakPolarHBondContact OE2-CD 3.27Å; E63-K66 WeakPolarHBondContact OE2-CE 3.31Å; E63-K66 IonicContact OE2-NZ 2.98Å; E63-K66 PolarHBondContact OE2-NZ 2.71Å
64	K	95.6	Very high	96.6	Very high	129 Å²	129	47.7 Å²	47.7	56%	0.561	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	141.9	171.8	67.8	-172.2	178.6	-172.3	0	110.7	P33 V39 K66	P33-K64 CarbonylContact O-C 3.57Å; P33-K64 WeakPolarHBondContact O-CA 3.43Å; V39-K64 HydrophobicContact CG2-CB 4.44Å; K64-K66 PolarHBondContact O-N 2.8Å
65	K	94.3	Very high	96.5	Very high	168 Å²	168	51 Å²	51	73%	0.73	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	11.4	177.5	-50.7	-179.7	179	-177.6	0	115	P33	P33-K65 PolarHBondContact O-N 3.35Å
66	K	93.9	Very high	96.6	Very high	99 Å²	99	48.9 Å²	48.9	43%	0.43	25%	0.251	S	S	.	.	S	Bend	trans	-107.6	140.6	167.1	-70.2	-172.5	177.8	164.9	0	109.5	L32 P33 E63 K64	L32-K66 VanDerWaalsContact CD1-C 3.49Å; L32-K66 WeakPolarHBondContact CD1-O 3.22Å; P33-K66 WeakPolarHBondContact CD-O 3.48Å; E63-K66 HydrophobicContact CB-CD 4.17Å; E63-K66 HydrophobicContact CB-CG 4.47Å; E63-K66 PolarHBondContact O-N 2.8Å; E63-K66 IonicContact OE1-NZ 3.43Å; E63-K66 WeakPolarHBondContact OE2-CD 3.27Å; E63-K66 WeakPolarHBondContact OE2-CE 3.31Å; E63-K66 IonicContact OE2-NZ 2.98Å; E63-K66 PolarHBondContact OE2-NZ 2.71Å; K64-K66 PolarHBondContact O-N 2.8Å
67	Q	95.8	Very high	96.7	Very high	106 Å²	106	48.6 Å²	48.6	50%	0.495	25%	0.249	S	C	.	.			trans	-68.9	142.8	176.4	-75.5	-174.4	55.3	0	0	110.4	L32 H69	L32-Q67 HydrophobicContact CD1-CG 4.18Å; Q67-H69 PolarHBondContact OE1-NE2 3.28Å
68	V	98.1	Very high	96.8	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.018	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	119.4	172.4	-173.8	0	0	0	0	107.5	A30 A31 P33 L42 L53 Q55 I62 F70	A30-V68 CarbonylContact C-O 3.53Å; A30-V68 VanDerWaalsContact CA-O 3.29Å; A30-V68 WeakPolarHBondContact CA-O 3.5Å; A31-V68 PolarHBondContact N-O 3.23Å; A31-V68 PolarHBondContact O-N 3.14Å; P33-V68 HydrophobicContact CG-CG2 4.27Å; L42-V68 HydrophobicContact CD1-CB 4.33Å; L42-V68 HydrophobicContact CD1-CG2 3.89Å; L53-V68 HydrophobicContact CD2-CG1 3.79Å; Q55-V68 CarbonylContact O-C 3.3Å; Q55-V68 VanDerWaalsContact O-CA 3.23Å; Q55-V68 WeakPolarHBondContact O-CA 3.43Å; I62-V68 HydrophobicContact CB-CG2 4.47Å; I62-V68 HydrophobicContact CD1-CG1 4.15Å; I62-V68 HydrophobicContact CG1-CG1 4.3Å; I62-V68 HydrophobicContact CG1-CG2 4.14Å; I62-V68 HydrophobicContact CG2-CG2 3.69Å; V68-F70 HydrophobicContact CG1-CD1 3.93Å; V68-F70 HydrophobicContact CG1-CE1 4.47Å
69	H	98.6	Very high	96.9	Very high	5 Å²	5	57.7 Å²	57.7	2%	0.023	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	132.5	175.1	-54.2	154.5	0	0	0	109	L29 W54 Q55 Q67 L94 Y312	L29-H69 WeakPolarHBondContact O-CA 3.36Å; W54-H69 WeakPolarHBondContact CA-O 3.36Å; W54-H69 HydrophobicContact CB-CB 4.01Å; W54-H69 WeakPolarHBondContact CB-O 3.41Å; W54-H69 PolarHBondContact N-O 2.92Å; Q55-H69 HydrophobicContact CB-CB 4.2Å; Q55-H69 PolarHBondContact N-O 3.21Å; Q55-H69 PolarHBondContact O-N 2.93Å; Q55-H69 PolarHBondContact OE1-ND1 3.22Å; Q67-H69 PolarHBondContact OE1-NE2 3.28Å; H69-L94 HydrophobicContact CB-CD1 4.38Å; H69-Y312 WeakPolarHBondContact CB-OH 3.4Å; H69-Y312 AromaticContact ND1-CE2 3.79Å; H69-Y312 AromaticContact ND1-CZ 3.77Å; H69-Y312 PolarHBondContact ND1-OH 2.71Å
70	F	98.7	Very high	97	Very high	5 Å²	5	56.7 Å²	56.7	2%	0.022	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	141.2	-177.3	55.8	-81.1	0	0	0	111.9	V28 L29 A31 I51 V52 L53 V68 V72 V80 L84	V28-F70 WeakPolarHBondContact CA-O 3.42Å; L29-F70 HydrophobicContact CB-CD2 4.43Å; L29-F70 HydrophobicContact CB-CE1 4.23Å; L29-F70 HydrophobicContact CB-CE2 3.9Å; L29-F70 HydrophobicContact CB-CZ 3.79Å; L29-F70 HydrophobicContact CD1-CE2 3.99Å; L29-F70 HydrophobicContact CD1-CZ 4.25Å; L29-F70 HydrophobicContact CG-CE2 4.35Å; L29-F70 PolarHBondContact N-O 2.68Å; L29-F70 PolarHBondContact O-N 2.88Å; A31-F70 HydrophobicContact CB-CE1 3.95Å; A31-F70 HydrophobicContact CB-CZ 4.48Å; I51-F70 HydrophobicContact CD1-CD2 4.17Å; I51-F70 HydrophobicContact CD1-CE2 4.27Å; I51-F70 HydrophobicContact CG2-CB 3.79Å; I51-F70 HydrophobicContact CG2-CD2 3.8Å; I51-F70 HydrophobicContact CG2-CG 4.13Å; V52-F70 WeakPolarHBondContact O-CA 3.47Å; L53-F70 HydrophobicContact CD2-CB 4.11Å; V68-F70 HydrophobicContact CG1-CD1 3.93Å; V68-F70 HydrophobicContact CG1-CE1 4.47Å; F70-V72 HydrophobicContact CD2-CG2 3.5Å; F70-V72 VanDerWaalsContact CD2-CG2 3.5Å; F70-V72 HydrophobicContact CE2-CG2 3.5Å; F70-V80 HydrophobicContact CE2-CG1 4.03Å; F70-L84 HydrophobicContact CZ-CD1 4.09Å
71	F	98.6	Very high	97.2	Very high	6 Å²	6	54.4 Å²	54.4	3%	0.026	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	137.4	167.6	167.6	-97.2	0	0	0	109.3	Q24 Q27 V28 I51 V52 N73 V98 M237	Q24-F71 HydrophobicContact CB-CE1 4.43Å; Q24-F71 HydrophobicContact CB-CE2 4.44Å; Q24-F71 HydrophobicContact CB-CZ 3.83Å; Q27-F71 CarbonylContact O-C 3.57Å; Q27-F71 WeakPolarHBondContact O-CA 3.3Å; V28-F71 HydrophobicContact CG2-CB 4.35Å; V28-F71 HydrophobicContact CG2-CD2 4.43Å; I51-F71 WeakPolarHBondContact CA-O 3.3Å; V52-F71 HydrophobicContact CB-CB 4.37Å; V52-F71 HydrophobicContact CB-CD1 4.23Å; V52-F71 HydrophobicContact CG2-CD1 4.2Å; V52-F71 PolarHBondContact N-O 2.79Å; V52-F71 PolarHBondContact O-N 3.2Å; F71-N73 HydrophobicContact CE1-CB 4.34Å; F71-V98 HydrophobicContact CD2-CB 4.46Å; F71-V98 HydrophobicContact CD2-CG1 4.14Å; F71-V98 HydrophobicContact CD2-CG2 4.06Å; F71-V98 HydrophobicContact CE2-CB 4.11Å; F71-V98 HydrophobicContact CE2-CG1 3.84Å; F71-V98 HydrophobicContact CE2-CG2 4.16Å; F71-M237 HydrophobicContact CD1-CG 4.3Å; F71-M237 HydrophobicContact CD2-CE 4.11Å; F71-M237 HydrophobicContact CG-CE 4.4Å; F71-M237 HydrophobicContact CG-CG 4.3Å
72	V	98.6	Very high	97.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.2	172.4	-172.2	0	0	0	0	108	G26 Q27 L29 I51 F70 D76 V77 V80	G26-V72 VanDerWaalsContact CA-O 3.29Å; G26-V72 WeakPolarHBondContact CA-O 3.47Å; Q27-V72 PolarHBondContact N-O 2.97Å; Q27-V72 VanDerWaalsContact N-O 3.08Å; Q27-V72 PolarHBondContact O-N 3.48Å; L29-V72 HydrophobicContact CD1-CG2 3.82Å; L29-V72 HydrophobicContact CG-CG2 4.15Å; I51-V72 HydrophobicContact CD1-CG2 4.47Å; I51-V72 HydrophobicContact CG1-CG1 4.44Å; I51-V72 HydrophobicContact CG1-CG2 4.24Å; F70-V72 HydrophobicContact CD2-CG2 3.5Å; F70-V72 VanDerWaalsContact CD2-CG2 3.5Å; F70-V72 HydrophobicContact CE2-CG2 3.5Å; V72-D76 HydrophobicContact CG1-CB 3.88Å; V72-V77 HydrophobicContact CB-CG2 4.25Å; V72-V77 HydrophobicContact CG1-CG2 4.19Å; V72-V80 HydrophobicContact CG1-CB 4.18Å; V72-V80 HydrophobicContact CG1-CG2 3.82Å; V72-V80 HydrophobicContact CG2-CG1 4.14Å
73	N	97.9	Very high	97.4	Very high	47 Å²	47	58.4 Å²	58.4	25%	0.251	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	145	174.5	-169.8	-89.5	0	0	0	111.1	E50 F71 S75 D76 V77	E50-N73 HydrophobicContact CB-CB 3.79Å; E50-N73 PolarHBondContact O-N 3.49Å; F71-N73 HydrophobicContact CE1-CB 4.34Å; N73-S75 PolarHBondContact O-N 3.22Å; N73-S75 VanDerWaalsContact O-N 3.08Å; N73-S75 PolarHBondContact OD1-N 2.84Å; N73-S75 PolarHBondContact OD1-OG 3.14Å; N73-S75 VanDerWaalsContact OD1-OG 3.12Å; N73-D76 PolarHBondContact O-N 3.27Å; N73-V77 WeakPolarHBondContact O-CG2 3.17Å; N73-V77 PolarHBondContact O-N 3.16Å
74	S	97.3	Very high	97.5	Very high	60 Å²	60	54.3 Å²	54.3	42%	0.42	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-34	-176.6	53	0	0	0	0	113.8	S25 D76	S25-S74 WeakPolarHBondContact O-CB 3.07Å; S25-S74 PolarHBondContact O-N 3.36Å; S25-S74 PolarHBondContact O-OG 2.95Å; S25-S74 WeakPolarHBondContact OG-CB 3.38Å; S25-S74 PolarHBondContact OG-OG 3.4Å; S74-D76 PolarHBondContact O-N 2.94Å
75	S	96.9	Very high	97.7	Very high	78 Å²	78	54.3 Å²	54.3	55%	0.545	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-26	177.5	63.5	0	0	0	0	114.2	N73	N73-S75 PolarHBondContact O-N 3.22Å; N73-S75 VanDerWaalsContact O-N 3.08Å; N73-S75 PolarHBondContact OD1-N 2.84Å; N73-S75 PolarHBondContact OD1-OG 3.14Å; N73-S75 VanDerWaalsContact OD1-OG 3.12Å
76	D	98.1	Very high	97.8	Very high	25 Å²	25	52.5 Å²	52.5	13%	0.134	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-5.6	-171.1	-75.3	-25.7	0	0	0	114	Y49 E50 V72 N73 S74 D78 N79 V80	Y49-D76 HydrophobicContact CD1-CB 4.04Å; Y49-D76 HydrophobicContact CG-CB 4.49Å; E50-D76 PolarHBondContact N-OD2 3.15Å; V72-D76 HydrophobicContact CG1-CB 3.88Å; N73-D76 PolarHBondContact O-N 3.27Å; S74-D76 PolarHBondContact O-N 2.94Å; D76-D78 VanDerWaalsContact C-N 3.35Å; D76-D78 PolarHBondContact O-N 3.1Å; D76-N79 PolarHBondContact O-N 3.33Å; D76-V80 HydrophobicContact CB-CG2 4.3Å; D76-V80 WeakPolarHBondContact O-CB 3.2Å; D76-V80 WeakPolarHBondContact O-CG2 3.05Å; D76-V80 PolarHBondContact O-N 3.45Å
77	V	98.3	Very high	98	Very high	11 Å²	11	49.6 Å²	49.6	7%	0.067	28%	0.282	C	S	.	.	H	α-helix	trans	-53.4	-49.4	-174.1	170.8	0	0	0	0	112.1	Q27 V72 N73 K81	Q27-V77 HydrophobicContact CB-CG2 4.22Å; Q27-V77 HydrophobicContact CG-CG1 4.18Å; Q27-V77 HydrophobicContact CG-CG2 4.09Å; V72-V77 HydrophobicContact CB-CG2 4.25Å; V72-V77 HydrophobicContact CG1-CG2 4.19Å; N73-V77 WeakPolarHBondContact O-CG2 3.17Å; N73-V77 PolarHBondContact O-N 3.16Å; V77-K81 HydrophobicContact CG1-CD 4.05Å; V77-K81 WeakPolarHBondContact O-CB 3.29Å; V77-K81 VanDerWaalsContact O-CG 3.31Å; V77-K81 WeakPolarHBondContact O-CG 3.49Å; V77-K81 PolarHBondContact O-N 3.26Å
78	D	98.1	Very high	98	Very high	125 Å²	125	46.9 Å²	46.9	67%	0.668	28%	0.282	S	S	*	.	H	α-helix	trans	-70.8	-39.6	-176.6	-69.9	-24.2	0	0	0	111.9	D76 K81 A82	D76-D78 VanDerWaalsContact C-N 3.35Å; D76-D78 PolarHBondContact O-N 3.1Å; D78-K81 PolarHBondContact O-N 2.75Å; D78-A82 WeakPolarHBondContact O-CB 3.21Å; D78-A82 PolarHBondContact O-N 3.02Å
79	N	98.3	Very high	98	Very high	86 Å²	86	47 Å²	47	46%	0.46	28%	0.283	S	S	.	.	H	α-helix	trans	-61.7	-46.7	176.6	-67.8	-33.3	0	0	0	111.3	Y49 D76 A82 H83	Y49-N79 HydrophobicContact CD1-CB 4.39Å; Y49-N79 HydrophobicContact CE1-CB 3.67Å; D76-N79 PolarHBondContact O-N 3.33Å; N79-A82 PolarHBondContact O-N 3.46Å; N79-H83 WeakPolarHBondContact O-CB 3.31Å; N79-H83 PolarHBondContact O-N 2.97Å
80	V	98.5	Very high	97.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.4	-45.8	178.8	170.6	0	0	0	0	110.7	L29 Y49 I51 F70 V72 D76 A82 H83 L84	L29-V80 HydrophobicContact CD1-CG1 4.24Å; Y49-V80 HydrophobicContact CD1-CG2 4.14Å; Y49-V80 HydrophobicContact CD2-CG2 3.77Å; Y49-V80 HydrophobicContact CE2-CG2 4.33Å; Y49-V80 HydrophobicContact CG-CG2 3.65Å; I51-V80 HydrophobicContact CD1-CG1 4.39Å; I51-V80 HydrophobicContact CD1-CG2 4.05Å; F70-V80 HydrophobicContact CE2-CG1 4.03Å; V72-V80 HydrophobicContact CG1-CB 4.18Å; V72-V80 HydrophobicContact CG1-CG2 3.82Å; V72-V80 HydrophobicContact CG2-CG1 4.14Å; D76-V80 HydrophobicContact CB-CG2 4.3Å; D76-V80 WeakPolarHBondContact O-CB 3.2Å; D76-V80 WeakPolarHBondContact O-CG2 3.05Å; D76-V80 PolarHBondContact O-N 3.45Å; V80-A82 VanDerWaalsContact C-N 3.35Å; V80-A82 PolarHBondContact O-N 3.14Å; V80-H83 PolarHBondContact O-N 2.71Å; V80-L84 HydrophobicContact CG1-CD1 3.86Å; V80-L84 HydrophobicContact CG1-CG 4.4Å; V80-L84 WeakPolarHBondContact O-CB 3.35Å; V80-L84 VanDerWaalsContact O-CG 3.25Å; V80-L84 WeakPolarHBondContact O-CG 3.46Å; V80-L84 PolarHBondContact O-N 2.91Å
81	K	98.6	Very high	97.7	Very high	63 Å²	63	52.2 Å²	52.2	27%	0.274	32%	0.318	S	S	.	.	H	α-helix	trans	-60.6	-42.7	176.2	-76.8	175.5	-179.5	171.2	0	112.3	Q27 L29 V77 D78 L84 N85	Q27-K81 VanDerWaalsContact OE1-CE 3.23Å; L29-K81 HydrophobicContact CD1-CG 4.22Å; V77-K81 HydrophobicContact CG1-CD 4.05Å; V77-K81 WeakPolarHBondContact O-CB 3.29Å; V77-K81 VanDerWaalsContact O-CG 3.31Å; V77-K81 WeakPolarHBondContact O-CG 3.49Å; V77-K81 PolarHBondContact O-N 3.26Å; D78-K81 PolarHBondContact O-N 2.75Å; K81-L84 PolarHBondContact O-N 2.78Å; K81-N85 WeakPolarHBondContact O-CB 3.4Å; K81-N85 PolarHBondContact O-N 2.87Å
82	A	98.1	Very high	97.7	Very high	54 Å²	54	54.9 Å²	54.9	45%	0.446	34%	0.338	S	S	.	.	H	α-helix	trans	-62.3	-45.2	176.6	0	0	0	0	0	111.5	D78 N79 V80 L84 N85 V86	D78-A82 WeakPolarHBondContact O-CB 3.21Å; D78-A82 PolarHBondContact O-N 3.02Å; N79-A82 PolarHBondContact O-N 3.46Å; V80-A82 VanDerWaalsContact C-N 3.35Å; V80-A82 PolarHBondContact O-N 3.14Å; A82-L84 PolarHBondContact O-N 3.43Å; A82-N85 PolarHBondContact O-N 2.92Å; A82-V86 WeakPolarHBondContact O-CG2 3.2Å; A82-V86 PolarHBondContact O-N 2.86Å
83	H	98.2	Very high	97.7	Very high	69 Å²	69	58 Å²	58	32%	0.319	36%	0.357	S	S	.	.	H	α-helix	trans	-62.4	-43.4	178.1	-157.9	142.9	0	0	0	111.8	L45 N79 V80 N85 V86 S87	L45-H83 HydrophobicContact CD2-CB 3.95Å; L45-H83 WeakPolarHBondContact CD2-ND1 3.24Å; N79-H83 WeakPolarHBondContact O-CB 3.31Å; N79-H83 PolarHBondContact O-N 2.97Å; V80-H83 PolarHBondContact O-N 2.71Å; H83-N85 PolarHBondContact O-N 3.18Å; H83-V86 PolarHBondContact O-N 2.61Å; H83-S87 VanDerWaalsContact O-CB 3.29Å; H83-S87 WeakPolarHBondContact O-CB 3.5Å; H83-S87 PolarHBondContact O-N 3.5Å; H83-S87 PolarHBondContact O-OG 3.37Å
84	L	98	Very high	97.7	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-61.5	-42.6	175.7	-70.6	169.2	0	0	0	111.9	L42 L45 F70 V80 K81 A82 S87 G88 I89 C91	L42-L84 HydrophobicContact CD2-CD2 3.52Å; L45-L84 HydrophobicContact CD1-CD2 3.56Å; L45-L84 HydrophobicContact CD1-CG 3.91Å; F70-L84 HydrophobicContact CZ-CD1 4.09Å; V80-L84 HydrophobicContact CG1-CD1 3.86Å; V80-L84 HydrophobicContact CG1-CG 4.4Å; V80-L84 WeakPolarHBondContact O-CB 3.35Å; V80-L84 VanDerWaalsContact O-CG 3.25Å; V80-L84 WeakPolarHBondContact O-CG 3.46Å; V80-L84 PolarHBondContact O-N 2.91Å; K81-L84 PolarHBondContact O-N 2.78Å; A82-L84 PolarHBondContact O-N 3.43Å; L84-S87 PolarHBondContact O-N 2.67Å; L84-G88 PolarHBondContact O-N 3.26Å; L84-I89 HydrophobicContact CD2-CB 4.05Å; L84-I89 HydrophobicContact CD2-CD1 4.09Å; L84-I89 HydrophobicContact CD2-CG2 4.01Å; L84-I89 PolarHBondContact O-N 2.84Å; L84-C91 HydrophobicContact CB-CB 4.4Å; L84-C91 HydrophobicContact CD1-CB 3.94Å
85	N	97.8	Very high	97.8	Very high	129 Å²	129	55.7 Å²	55.7	69%	0.69	34%	0.339	S	S	*	.	H	α-helix	trans	-62.7	-51.1	178.3	-171.9	19	0	0	0	111.6	K81 A82 H83 S87 G88	K81-N85 WeakPolarHBondContact O-CB 3.4Å; K81-N85 PolarHBondContact O-N 2.87Å; A82-N85 PolarHBondContact O-N 2.92Å; H83-N85 PolarHBondContact O-N 3.18Å; N85-S87 PolarHBondContact O-N 3.01Å; N85-G88 PolarHBondContact O-N 3.42Å
86	V	97.7	Very high	97.8	Very high	131 Å²	131	55.2 Å²	55.2	79%	0.794	34%	0.34	S	S	*	.	H	α-helix	trans	-61.6	-31.6	177.7	174.4	0	0	0	0	111.8	A82 H83 G88	A82-V86 WeakPolarHBondContact O-CG2 3.2Å; A82-V86 PolarHBondContact O-N 2.86Å; H83-V86 PolarHBondContact O-N 2.61Å; V86-G88 PolarHBondContact O-N 3.25Å
87	S	97.3	Very high	97.7	Very high	37 Å²	37	58 Å²	58	26%	0.259	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-0.2	177.5	-58	0	0	0	0	114	H83 L84 N85 I89	H83-S87 VanDerWaalsContact O-CB 3.29Å; H83-S87 WeakPolarHBondContact O-CB 3.5Å; H83-S87 PolarHBondContact O-N 3.5Å; H83-S87 PolarHBondContact O-OG 3.37Å; L84-S87 PolarHBondContact O-N 2.67Å; N85-S87 PolarHBondContact O-N 3.01Å; S87-I89 PolarHBondContact O-N 2.88Å
88	G	97.3	Very high	97.7	Very high	49 Å²	49	57.5 Å²	57.5	51%	0.505	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	29.8	-179	0	0	0	0	0	113.4	Q38 L84 N85 V86	Q38-G88 PolarHBondContact NE2-O 3.08Å; L84-G88 PolarHBondContact O-N 3.26Å; N85-G88 PolarHBondContact O-N 3.42Å; V86-G88 PolarHBondContact O-N 3.25Å
89	I	98	Very high	97.7	Very high	6 Å²	6	55 Å²	55	3%	0.031	34%	0.336	C	S	.	.			trans	-94.8	116.2	179	-61.4	172.3	0	0	0	108.2	A31 Q38 V41 L42 L84 S87 C91	A31-I89 HydrophobicContact CB-CG2 3.97Å; Q38-I89 HydrophobicContact CB-CD1 4.01Å; Q38-I89 HydrophobicContact CB-CG1 3.96Å; Q38-I89 HydrophobicContact CG-CD1 4.15Å; Q38-I89 HydrophobicContact CG-CG1 3.67Å; V41-I89 HydrophobicContact CB-CD1 3.91Å; V41-I89 HydrophobicContact CG1-CD1 3.65Å; L42-I89 HydrophobicContact CD2-CD1 4.39Å; L42-I89 HydrophobicContact CD2-CG2 4.5Å; L42-I89 HydrophobicContact CG-CD1 4.19Å; L84-I89 HydrophobicContact CD2-CB 4.05Å; L84-I89 HydrophobicContact CD2-CD1 4.09Å; L84-I89 HydrophobicContact CD2-CG2 4.01Å; L84-I89 PolarHBondContact O-N 2.84Å; S87-I89 PolarHBondContact O-N 2.88Å; I89-C91 PolarHBondContact O-N 3.36Å
90	P	94.6	Very high	97.6	Very high	66 Å²	66	54.5 Å²	54.5	43%	0.429	33%	0.334	S	S	.	.			trans	-59.2	124.5	174.7	-21.8	33.2	0	0	0	110.2	A31 L32	A31-P90 WeakPolarHBondContact CA-O 3.34Å; L32-P90 PolarHBondContact N-O 3.09Å
91	C	96.3	Very high	97.5	Very high	53 Å²	53	55.8 Å²	55.8	36%	0.358	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.6	-179.6	-179.6	0	0	0	0	109.8	A30 L84 I89	A30-C91 CarbonylContact O-C 3.54Å; A30-C91 VanDerWaalsContact O-CA 3.3Å; A30-C91 WeakPolarHBondContact O-CA 3.47Å; L84-C91 HydrophobicContact CB-CB 4.4Å; L84-C91 HydrophobicContact CD1-CB 3.94Å; I89-C91 PolarHBondContact O-N 3.36Å
92	S	97.8	Very high	97.4	Very high	62 Å²	62	52.8 Å²	52.8	43%	0.434	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145.4	172.3	57.8	0	0	0	0	110.6	L29 A30	L29-S92 WeakPolarHBondContact CA-O 3.49Å; A30-S92 PolarHBondContact N-O 3.48Å; A30-S92 PolarHBondContact O-N 2.83Å
93	V	98.4	Very high	97.3	Very high	67 Å²	67	53.7 Å²	53.7	41%	0.406	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	117.3	172	-176.4	0	0	0	0	108.2	L29 A96	L29-V93 HydrophobicContact CD2-CB 4.25Å; L29-V93 HydrophobicContact CD2-CG1 4.34Å; L29-V93 HydrophobicContact CD2-CG2 3.81Å; V93-A96 HydrophobicContact CG1-CB 4.11Å
94	L	98.2	Very high	97.2	Very high	49 Å²	49	55 Å²	55	26%	0.257	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	-50	174.3	-65.5	174.9	0	0	0	110.4	V28 A30 H69 G390	V28-L94 HydrophobicContact CB-CB 4.4Å; V28-L94 HydrophobicContact CG1-CB 4.22Å; V28-L94 HydrophobicContact CG1-CD1 3.97Å; V28-L94 WeakPolarHBondContact O-CB 3.15Å; V28-L94 PolarHBondContact O-N 3.47Å; A30-L94 HydrophobicContact CB-CD1 3.7Å; A30-L94 HydrophobicContact CB-CD2 3.96Å; A30-L94 HydrophobicContact CB-CG 3.74Å; H69-L94 HydrophobicContact CB-CD1 4.38Å; L94-G390 VanDerWaalsContact CD1-O 3.29Å; L94-G390 WeakPolarHBondContact CD1-O 3.36Å
95	L	98.4	Very high	97.1	Very high	9 Å²	9	55.2 Å²	55.2	5%	0.047	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	119.2	179.9	-55.6	176	0	0	0	108.9	Q27 V28 W54 V98 L101 K391 Y392 L395	Q27-L95 WeakPolarHBondContact CA-O 3.25Å; Q27-L95 WeakPolarHBondContact CB-O 3.47Å; V28-L95 HydrophobicContact CB-CB 3.98Å; V28-L95 HydrophobicContact CB-CD1 4.21Å; V28-L95 HydrophobicContact CB-CG 4.18Å; V28-L95 HydrophobicContact CG2-CB 4.2Å; V28-L95 HydrophobicContact CG2-CD1 3.94Å; V28-L95 HydrophobicContact CG2-CG 4.41Å; V28-L95 PolarHBondContact N-O 3.34Å; V28-L95 PolarHBondContact O-N 2.92Å; W54-L95 HydrophobicContact CH2-CD1 3.91Å; W54-L95 HydrophobicContact CZ3-CD1 4.31Å; L95-V98 HydrophobicContact CB-CG2 4.35Å; L95-L101 HydrophobicContact CB-CD1 4.16Å; L95-L101 HydrophobicContact CD1-CD1 3.97Å; L95-L101 HydrophobicContact CD2-CD1 3.79Å; L95-L101 HydrophobicContact CG-CD1 4.2Å; L95-K391 WeakPolarHBondContact CD2-O 3.34Å; L95-Y392 HydrophobicContact CD2-CD1 3.73Å; L95-Y392 HydrophobicContact CD2-CE1 4.17Å; L95-L395 HydrophobicContact CD1-CB 4.11Å; L95-L395 HydrophobicContact CD1-CD1 3.77Å; L95-L395 HydrophobicContact CD1-CG 4.46Å
96	A	97.8	Very high	96.9	Very high	67 Å²	67	50.5 Å²	50.5	55%	0.554	30%	0.304	S	S	*	.	S	Bend	trans	-86.1	-29.3	-174.2	0	0	0	0	0	113.5	Q27 V93	Q27-A96 WeakPolarHBondContact CG-O 3.02Å; Q27-A96 PolarHBondContact NE2-O 3.21Å; V93-A96 HydrophobicContact CG1-CB 4.11Å
97	D	97.3	Very high	96.7	Very high	85 Å²	85	47.8 Å²	47.8	46%	0.455	29%	0.29	S	S	.	.			trans	-132.5	91.7	-179.1	-165.1	-24.3	0	0	0	109.2	E99 D100 L101	D97-E99 PolarHBondContact OD1-N 2.9Å; D97-D100 HydrophobicContact CB-CB 4.21Å; D97-D100 WeakPolarHBondContact OD1-CB 3.21Å; D97-D100 PolarHBondContact OD1-N 3.03Å; D97-L101 WeakPolarHBondContact O-CG 2.95Å
98	V	97.6	Very high	96.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-73	-33.5	-179.9	167.5	0	0	0	0	111.3	G26 V28 F71 L95 L101 I102 M237 L395	G26-V98 WeakPolarHBondContact O-CB 3.24Å; G26-V98 WeakPolarHBondContact O-CG2 3.34Å; G26-V98 PolarHBondContact O-N 3.12Å; V28-V98 HydrophobicContact CG2-CG2 3.82Å; F71-V98 HydrophobicContact CD2-CB 4.46Å; F71-V98 HydrophobicContact CD2-CG1 4.14Å; F71-V98 HydrophobicContact CD2-CG2 4.06Å; F71-V98 HydrophobicContact CE2-CB 4.11Å; F71-V98 HydrophobicContact CE2-CG1 3.84Å; F71-V98 HydrophobicContact CE2-CG2 4.16Å; L95-V98 HydrophobicContact CB-CG2 4.35Å; V98-L101 PolarHBondContact O-N 2.98Å; V98-I102 HydrophobicContact CG1-CD1 3.67Å; V98-I102 HydrophobicContact CG1-CG1 4.25Å; V98-I102 WeakPolarHBondContact O-CG1 3.34Å; V98-I102 PolarHBondContact O-N 3.15Å; V98-M237 HydrophobicContact CG1-CE 3.59Å; V98-L395 HydrophobicContact CG1-CD1 3.95Å; V98-L395 HydrophobicContact CG2-CD1 4.31Å
99	E	97	Very high	96.3	Very high	73 Å²	73	47.2 Å²	47.2	34%	0.341	27%	0.273	S	S	.	.	H	α-helix	trans	-65	-49	-177.4	-177.3	170.7	-146.9	0	0	110.7	D97 L101 I102 Q103	D97-E99 PolarHBondContact OD1-N 2.9Å; E99-L101 VanDerWaalsContact C-N 3.34Å; E99-L101 PolarHBondContact O-N 2.97Å; E99-I102 PolarHBondContact O-N 3.41Å; E99-I102 VanDerWaalsContact O-N 3.15Å; E99-Q103 WeakPolarHBondContact O-CG 3.12Å; E99-Q103 PolarHBondContact O-N 3.1Å
100	D	96.6	Very high	96.1	Very high	75 Å²	75	52 Å²	52	40%	0.401	30%	0.303	S	S	.	.	H	α-helix	trans	-58	-44.2	176.9	174.3	53.3	0	0	0	112.1	D97 I102 Q103 Q104	D97-D100 HydrophobicContact CB-CB 4.21Å; D97-D100 WeakPolarHBondContact OD1-CB 3.21Å; D97-D100 PolarHBondContact OD1-N 3.03Å; D100-I102 VanDerWaalsContact C-N 3.33Å; D100-I102 PolarHBondContact O-N 2.94Å; D100-Q103 PolarHBondContact O-N 2.66Å; D100-Q104 WeakPolarHBondContact O-CG 3.42Å; D100-Q104 PolarHBondContact O-N 3.22Å; D100-Q104 PolarHBondContact OD1-NE2 2.97Å; D100-Q104 PolarHBondContact OD2-NE2 2.96Å
101	L	97	Very high	96.1	Very high	27 Å²	27	53.5 Å²	53.5	14%	0.141	31%	0.31	C	S	.	.	H	α-helix	trans	-63.9	-37.3	177.2	-69.8	172.5	0	0	0	112.6	L95 D97 V98 E99 Q105 L395	L95-L101 HydrophobicContact CB-CD1 4.16Å; L95-L101 HydrophobicContact CD1-CD1 3.97Å; L95-L101 HydrophobicContact CD2-CD1 3.79Å; L95-L101 HydrophobicContact CG-CD1 4.2Å; D97-L101 WeakPolarHBondContact O-CG 2.95Å; V98-L101 PolarHBondContact O-N 2.98Å; E99-L101 VanDerWaalsContact C-N 3.34Å; E99-L101 PolarHBondContact O-N 2.97Å; L101-Q105 WeakPolarHBondContact O-CG 3.39Å; L101-Q105 PolarHBondContact O-N 3.44Å; L101-Q105 VanDerWaalsContact O-N 3.1Å; L101-L395 HydrophobicContact CB-CD1 4.43Å; L101-L395 HydrophobicContact CD1-CD1 4.5Å
102	I	96.8	Very high	95.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.9	-47	175.2	-67.9	171.8	0	0	0	110	F23 V98 E99 D100 Q104 Q105 I106 R236 M237 L395	F23-I102 HydrophobicContact CB-CG2 3.99Å; F23-I102 HydrophobicContact CD1-CG2 3.78Å; F23-I102 HydrophobicContact CE1-CG2 4.42Å; F23-I102 HydrophobicContact CG-CG2 3.84Å; V98-I102 HydrophobicContact CG1-CD1 3.67Å; V98-I102 HydrophobicContact CG1-CG1 4.25Å; V98-I102 WeakPolarHBondContact O-CG1 3.34Å; V98-I102 PolarHBondContact O-N 3.15Å; E99-I102 PolarHBondContact O-N 3.41Å; E99-I102 VanDerWaalsContact O-N 3.15Å; D100-I102 VanDerWaalsContact C-N 3.33Å; D100-I102 PolarHBondContact O-N 2.94Å; I102-Q104 VanDerWaalsContact C-N 3.32Å; I102-Q104 PolarHBondContact O-N 3.44Å; I102-Q105 PolarHBondContact O-N 3.25Å; I102-Q105 VanDerWaalsContact O-N 3.12Å; I102-I106 WeakPolarHBondContact O-CG1 3.43Å; I102-I106 PolarHBondContact O-N 3.17Å; I102-I106 VanDerWaalsContact O-N 3.12Å; I102-R236 HydrophobicContact CD1-CB 3.63Å; I102-R236 HydrophobicContact CD1-CG 3.81Å; I102-R236 HydrophobicContact CG1-CB 4.19Å; I102-R236 HydrophobicContact CG1-CG 3.86Å; I102-M237 HydrophobicContact CD1-CE 4.21Å; I102-L395 HydrophobicContact CG1-CD2 3.92Å
103	Q	96.2	Very high	95.8	Very high	73 Å²	73	53.5 Å²	53.5	34%	0.341	31%	0.309	S	S	.	.	H	α-helix	trans	-58.9	-43.9	178.1	-67.1	-53.8	-43.5	0	0	111.7	F23 E99 D100 Q105 I106 S107	F23-Q103 VanDerWaalsContact CD2-NE2 3.29Å; E99-Q103 WeakPolarHBondContact O-CG 3.12Å; E99-Q103 PolarHBondContact O-N 3.1Å; D100-Q103 PolarHBondContact O-N 2.66Å; Q103-Q105 VanDerWaalsContact C-N 3.31Å; Q103-Q105 PolarHBondContact O-N 3.44Å; Q103-I106 WeakPolarHBondContact O-CG1 3.15Å; Q103-I106 PolarHBondContact O-N 3.3Å; Q103-S107 VanDerWaalsContact O-CB 3.29Å; Q103-S107 WeakPolarHBondContact O-CB 3.46Å; Q103-S107 PolarHBondContact O-N 3.44Å; Q103-S107 PolarHBondContact O-OG 2.96Å
104	Q	95.3	Very high	95.5	Very high	96 Å²	96	55.4 Å²	55.4	45%	0.449	31%	0.309	S	S	.	.	H	α-helix	trans	-61.7	-35.6	175.8	-72.3	172.5	29.4	0	0	113.2	D100 I102 S107	D100-Q104 WeakPolarHBondContact O-CG 3.42Å; D100-Q104 PolarHBondContact O-N 3.22Å; D100-Q104 PolarHBondContact OD1-NE2 2.97Å; D100-Q104 PolarHBondContact OD2-NE2 2.96Å; I102-Q104 VanDerWaalsContact C-N 3.32Å; I102-Q104 PolarHBondContact O-N 3.44Å; Q104-S107 PolarHBondContact O-OG 3.45Å
105	Q	95.5	Very high	95	Very high	5 Å²	5	53.8 Å²	53.8	2%	0.023	30%	0.302	C	S	.	.	H	α-helix	trans	-74.6	-28.6	178.9	-72.9	-169.2	-32.1	0	0	113.1	L101 I102 Q103 Y123 W185 L396	L101-Q105 WeakPolarHBondContact O-CG 3.39Å; L101-Q105 PolarHBondContact O-N 3.44Å; L101-Q105 VanDerWaalsContact O-N 3.1Å; I102-Q105 PolarHBondContact O-N 3.25Å; I102-Q105 VanDerWaalsContact O-N 3.12Å; Q103-Q105 VanDerWaalsContact C-N 3.31Å; Q103-Q105 PolarHBondContact O-N 3.44Å; Q105-Y123 HydrophobicContact CB-CD2 4.12Å; Q105-Y123 HydrophobicContact CG-CD2 4.03Å; Q105-Y123 HydrophobicContact CG-CE2 4.05Å; Q105-Y123 VanDerWaalsContact NE2-CE2 3.33Å; Q105-W185 HydrophobicContact CB-CE3 4.18Å; Q105-W185 HydrophobicContact CB-CZ3 3.69Å; Q105-L396 PolarHBondContact NE2-O 2.9Å
106	I	95	Very high	94.8	Very high	31 Å²	31	55 Å²	55	16%	0.159	31%	0.312	C	S	.	.	H	α-helix	trans	-94.5	-21.4	-178.6	66.5	179.6	0	0	0	113.4	F23 I102 Q103 N108 D109 W185 W232	F23-I106 HydrophobicContact CD2-CD1 4.24Å; F23-I106 HydrophobicContact CE2-CD1 3.66Å; F23-I106 HydrophobicContact CZ-CD1 3.97Å; I102-I106 WeakPolarHBondContact O-CG1 3.43Å; I102-I106 PolarHBondContact O-N 3.17Å; I102-I106 VanDerWaalsContact O-N 3.12Å; Q103-I106 WeakPolarHBondContact O-CG1 3.15Å; Q103-I106 PolarHBondContact O-N 3.3Å; I106-N108 PolarHBondContact O-N 2.73Å; I106-D109 PolarHBondContact O-N 3.29Å; I106-W185 HydrophobicContact CG2-CH2 3.55Å; I106-W185 HydrophobicContact CG2-CZ3 3.88Å; I106-W232 HydrophobicContact CB-CE3 4.14Å; I106-W232 HydrophobicContact CB-CZ3 3.83Å; I106-W232 HydrophobicContact CG2-CD2 4.39Å; I106-W232 HydrophobicContact CG2-CE3 3.73Å; I106-W232 HydrophobicContact CG2-CH2 4.43Å; I106-W232 HydrophobicContact CG2-CZ3 3.77Å
107	S	93.4	Very high	94.7	Very high	73 Å²	73	55.4 Å²	55.4	51%	0.51	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.8	-174.1	62.1	0	0	0	0	114	Q103 Q104	Q103-S107 VanDerWaalsContact O-CB 3.29Å; Q103-S107 WeakPolarHBondContact O-CB 3.46Å; Q103-S107 PolarHBondContact O-N 3.44Å; Q103-S107 PolarHBondContact O-OG 2.96Å; Q104-S107 PolarHBondContact O-OG 3.45Å
108	N	92.1	Very high	94.6	Very high	49 Å²	49	54 Å²	54	26%	0.262	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	5.4	-173.4	-69	-17.9	0	0	0	114.6	I106 T110 V111 Q122 E398	I106-N108 PolarHBondContact O-N 2.73Å; N108-T110 VanDerWaalsContact C-N 3.26Å; N108-T110 PolarHBondContact O-N 2.75Å; N108-T110 VanDerWaalsContact O-N 3.11Å; N108-V111 HydrophobicContact CB-CG2 4.35Å; N108-V111 PolarHBondContact O-N 3.4Å; N108-Q122 HydrophobicContact CB-CG 4.1Å; N108-E398 PolarHBondContact ND2-OE2 3.41Å
109	D	93.9	Very high	94.6	Very high	25 Å²	25	54 Å²	54	13%	0.134	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-44.4	-174.2	-173.9	25.2	0	0	0	113.3	I106 H124 S125 E128 W232	I106-D109 PolarHBondContact O-N 3.29Å; D109-H124 PolarHBondContact O-ND1 2.58Å; D109-H124 VanDerWaalsContact O-ND1 3.07Å; D109-H124 WeakPolarHBondContact OD1-CA 3.35Å; D109-H124 IonicContact OD1-ND1 2.73Å; D109-S125 PolarHBondContact OD1-N 2.71Å; D109-S125 WeakPolarHBondContact OD2-CB 3.38Å; D109-S125 PolarHBondContact OD2-OG 2.88Å; D109-E128 VanDerWaalsContact OD1-CB 3.28Å; D109-E128 WeakPolarHBondContact OD1-CB 3.2Å; D109-E128 WeakPolarHBondContact OD1-CG 3.34Å; D109-W232 HydrophobicContact CB-CH2 4.25Å; D109-W232 HydrophobicContact CB-CZ3 4.05Å
110	T	93.3	Very high	94.7	Very high	107 Å²	107	51.5 Å²	51.5	66%	0.656	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	17.3	-174.2	65.5	0	0	0	0	114.2	N108	N108-T110 VanDerWaalsContact C-N 3.26Å; N108-T110 PolarHBondContact O-N 2.75Å; N108-T110 VanDerWaalsContact O-N 3.11Å
111	V	93.5	Very high	94.8	Very high	97 Å²	97	50.6 Å²	50.6	59%	0.588	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-34.2	-174.3	171.5	0	0	0	0	112.3	N108	N108-V111 HydrophobicContact CB-CG2 4.35Å; N108-V111 PolarHBondContact O-N 3.4Å
112	S	94	Very high	94.9	Very high	16 Å²	16	50.2 Å²	50.2	11%	0.112	29%	0.29	C	S	.	.	S	Bend	trans	-102.8	142.3	-175.3	-57.6	0	0	0	0	112	R114 S118 Q122	S112-R114 PolarHBondContact O-N 3.12Å; S112-S118 PolarHBondContact OG-OG 3.47Å; S112-Q122 VanDerWaalsContact CB-OE1 3.25Å; S112-Q122 VanDerWaalsContact OG-CD 3.25Å; S112-Q122 PolarHBondContact OG-NE2 2.91Å; S112-Q122 PolarHBondContact OG-OE1 2.81Å
113	P	94	Very high	95	Very high	100 Å²	100	50.3 Å²	50.3	65%	0.649	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-58	134.7	170	-22.8	33.2	0	0	0	111	S116	P113-S116 VanDerWaalsContact O-CB 3.22Å; P113-S116 WeakPolarHBondContact O-CB 3.47Å; P113-S116 PolarHBondContact O-N 2.74Å; P113-S116 VanDerWaalsContact O-N 3.11Å; P113-S116 PolarHBondContact O-OG 3.26Å
114	R	93.5	Very high	95.1	Very high	107 Å²	107	47.1 Å²	47.1	40%	0.404	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	141.2	177.8	-70.3	176.8	-169.9	123.4	7.2	111.5	S112 S116 Y119 E128 L135	S112-R114 PolarHBondContact O-N 3.12Å; R114-S116 PolarHBondContact O-N 3.33Å; R114-S116 VanDerWaalsContact O-N 3.13Å; R114-Y119 HydrophobicContact CB-CE2 4.41Å; R114-Y119 HydrophobicContact CG-CD2 4.35Å; R114-Y119 HydrophobicContact CG-CE2 3.81Å; R114-E128 WeakPolarHBondContact CD-OE1 3.21Å; R114-E128 VanDerWaalsContact CG-OE1 3.25Å; R114-E128 WeakPolarHBondContact CG-OE1 3.36Å; R114-E128 IonicContact CZ-OE1 2.72Å; R114-E128 IonicContact CZ-OE2 3.37Å; R114-E128 IonicContact NE-OE1 3.21Å; R114-E128 PolarHBondContact NE-OE1 3.11Å; R114-E128 IonicContact NE-OE2 3.64Å; R114-E128 PolarHBondContact NE-OE2 3.33Å; R114-E128 IonicContact NH2-OE1 3.3Å; R114-E128 IonicContact NH2-OE2 3.61Å; R114-E128 PolarHBondContact NH2-OE2 3.29Å; R114-L135 HydrophobicContact CB-CD1 3.71Å; R114-L135 HydrophobicContact CB-CD2 4.13Å; R114-L135 HydrophobicContact CB-CG 4.48Å; R114-L135 HydrophobicContact CG-CD1 4.45Å
115	A	87.4	Confident	95.3	Very high	14 Å²	14	43.5 Å²	43.5	12%	0.116	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	7.2	-177.2	0	0	0	0	0	116.1	L135 I136 K139	A115-L135 HydrophobicContact CB-CD2 3.87Å; A115-I136 HydrophobicContact CB-CD1 4.15Å; A115-K139 HydrophobicContact CB-CD 4.49Å
116	S	94.5	Very high	95.4	Very high	36 Å²	36	43.4 Å²	43.4	25%	0.252	26%	0.26	S	S	.	.	S	Bend	trans	-69.8	156.6	164.7	69.5	0	0	0	0	110.6	P113 R114 S118 Y119 Y120	P113-S116 VanDerWaalsContact O-CB 3.22Å; P113-S116 WeakPolarHBondContact O-CB 3.47Å; P113-S116 PolarHBondContact O-N 2.74Å; P113-S116 VanDerWaalsContact O-N 3.11Å; P113-S116 PolarHBondContact O-OG 3.26Å; R114-S116 PolarHBondContact O-N 3.33Å; R114-S116 VanDerWaalsContact O-N 3.13Å; S116-S118 PolarHBondContact O-N 2.87Å; S116-Y119 VanDerWaalsContact O-CB 3.28Å; S116-Y119 WeakPolarHBondContact O-CB 3.28Å; S116-Y119 PolarHBondContact O-N 2.87Å; S116-Y119 VanDerWaalsContact O-N 3.12Å; S116-Y119 PolarHBondContact OG-N 3.47Å; S116-Y120 VanDerWaalsContact O-CD2 3.27Å; S116-Y120 WeakPolarHBondContact O-CD2 3.25Å
117	A	94.8	Very high	95.6	Very high	75 Å²	75	47.2 Å²	47.2	62%	0.62	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-33	176	0	0	0	0	0	112.5
118	S	95.7	Very high	95.9	Very high	55 Å²	55	44.1 Å²	44.1	39%	0.385	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-34.9	178.1	-166.7	0	0	0	0	112.7	S112 S116 Y120 E121 Q122	S112-S118 PolarHBondContact OG-OG 3.47Å; S116-S118 PolarHBondContact O-N 2.87Å; S118-Y120 VanDerWaalsContact C-N 3.3Å; S118-Y120 PolarHBondContact O-N 3.09Å; S118-E121 WeakPolarHBondContact O-CB 3.43Å; S118-E121 PolarHBondContact O-N 2.86Å; S118-Q122 PolarHBondContact O-NE2 3.48Å; S118-Q122 VanDerWaalsContact O-NE2 3.1Å; S118-Q122 PolarHBondContact O-OE1 2.8Å; S118-Q122 PolarHBondContact OG-NE2 3.35Å
119	Y	98.2	Very high	96.2	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-52.3	-49.7	177.7	-175.9	-94.8	0	0	0	111.1	R114 S116 E121 Q122 H124 E128 W132 L192	R114-Y119 HydrophobicContact CB-CE2 4.41Å; R114-Y119 HydrophobicContact CG-CD2 4.35Å; R114-Y119 HydrophobicContact CG-CE2 3.81Å; S116-Y119 VanDerWaalsContact O-CB 3.28Å; S116-Y119 WeakPolarHBondContact O-CB 3.28Å; S116-Y119 PolarHBondContact O-N 2.87Å; S116-Y119 VanDerWaalsContact O-N 3.12Å; S116-Y119 PolarHBondContact OG-N 3.47Å; Y119-E121 PolarHBondContact O-N 3.16Å; Y119-Q122 VanDerWaalsContact CA-OE1 3.27Å; Y119-Q122 PolarHBondContact O-N 2.74Å; Y119-Q122 VanDerWaalsContact O-N 3.09Å; Y119-Q122 PolarHBondContact O-OE1 2.9Å; Y119-H124 AromaticContact CD1-NE2 3.5Å; Y119-H124 AromaticContact CD2-CE1 3.45Å; Y119-H124 VanDerWaalsContact CD2-CE1 3.45Å; Y119-H124 WeakPolarHBondContact CD2-CE1 3.48Å; Y119-H124 AromaticContact CD2-NE2 3.6Å; Y119-H124 AromaticContact CE1-CD2 3.59Å; Y119-H124 AromaticContact CE1-NE2 3.39Å; Y119-H124 WeakPolarHBondContact CE1-NE2 3.39Å; Y119-H124 AromaticContact CE2-CE1 3.25Å; Y119-H124 WeakPolarHBondContact CE2-CE1 3.42Å; Y119-H124 AromaticContact CE2-ND1 3.67Å; Y119-H124 AromaticContact CE2-NE2 3.49Å; Y119-H124 WeakPolarHBondContact CE2-NE2 3.48Å; Y119-H124 AromaticContact CG-CE1 3.92Å; Y119-H124 AromaticContact CG-NE2 3.6Å; Y119-H124 AromaticContact CZ-CD2 3.53Å; Y119-H124 AromaticContact CZ-CE1 3.56Å; Y119-H124 AromaticContact CZ-CG 3.78Å; Y119-H124 AromaticContact CZ-ND1 3.8Å; Y119-H124 AromaticContact CZ-NE2 3.36Å; Y119-H124 PolarHBondContact O-NE2 2.85Å; Y119-E128 HydrophobicContact CE2-CG 4.22Å; Y119-E128 VanDerWaalsContact CE2-OE1 3.28Å; Y119-E128 WeakPolarHBondContact CE2-OE1 3.21Å; Y119-E128 WeakPolarHBondContact OH-CG 3.31Å; Y119-E128 PolarHBondContact OH-OE1 2.92Å; Y119-W132 HydrophobicContact CE1-CB 4.18Å; Y119-W132 AromaticContact CE1-CD1 3.42Å; Y119-W132 VanDerWaalsContact CE1-CD1 3.42Å; Y119-W132 AromaticContact CE1-CG 3.84Å; Y119-W132 HydrophobicContact CE1-CG 3.84Å; Y119-W132 VanDerWaalsContact OH-CB 3.3Å; Y119-W132 WeakPolarHBondContact OH-CB 3.03Å; Y119-L192 HydrophobicContact CE1-CD2 4.16Å
120	Y	98.5	Very high	96.4	Very high	21 Å²	21	42.4 Å²	42.4	8%	0.082	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-69.7	3.7	-180	-56	-71.6	0	0	0	115	S116 S118 W132 L192 G196 I401	S116-Y120 VanDerWaalsContact O-CD2 3.27Å; S116-Y120 WeakPolarHBondContact O-CD2 3.25Å; S118-Y120 VanDerWaalsContact C-N 3.3Å; S118-Y120 PolarHBondContact O-N 3.09Å; Y120-W132 AromaticContact CE1-CE2 3.89Å; Y120-W132 AromaticContact CE1-CZ2 3.95Å; Y120-W132 HydrophobicContact CE1-CZ2 3.95Å; Y120-W132 AromaticContact CE1-NE1 3.47Å; Y120-W132 AromaticContact CZ-NE1 3.6Å; Y120-W132 PolarHBondContact OH-NE1 3.27Å; Y120-L192 HydrophobicContact CD1-CB 4.18Å; Y120-L192 HydrophobicContact CE1-CB 4.37Å; Y120-L192 VanDerWaalsContact CE1-O 3.28Å; Y120-L192 WeakPolarHBondContact CE1-O 3.44Å; Y120-G196 WeakPolarHBondContact OH-CA 3.42Å; Y120-I401 VanDerWaalsContact O-CG2 3.26Å; Y120-I401 WeakPolarHBondContact O-CG2 3.21Å
121	E	98.4	Very high	96.7	Very high	56 Å²	56	38.9 Å²	38.9	26%	0.262	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-108.6	12.3	175.5	-55.5	-173.6	173.6	0	0	112.1	S118 Y119 I401 K402	S118-E121 WeakPolarHBondContact O-CB 3.43Å; S118-E121 PolarHBondContact O-N 2.86Å; Y119-E121 PolarHBondContact O-N 3.16Å; E121-I401 WeakPolarHBondContact O-CD1 3.48Å; E121-K402 HydrophobicContact CG-CB 4.08Å; E121-K402 WeakPolarHBondContact OE1-CD 3.44Å; E121-K402 VanDerWaalsContact OE1-CE 3.3Å; E121-K402 WeakPolarHBondContact OE1-CE 3.43Å; E121-K402 WeakPolarHBondContact OE1-CG 3.29Å; E121-K402 IonicContact OE1-NZ 2.8Å; E121-K402 PolarHBondContact OE1-NZ 2.9Å
122	Q	98.4	Very high	96.9	Very high	18 Å²	18	34.3 Å²	34.3	8%	0.084	20%	0.199	C	C	.	.	S	Bend	trans	-123.8	164.8	175.6	-64.3	119	15.4	0	0	111.9	N108 S112 S118 Y119	N108-Q122 HydrophobicContact CB-CG 4.1Å; S112-Q122 VanDerWaalsContact CB-OE1 3.25Å; S112-Q122 VanDerWaalsContact OG-CD 3.25Å; S112-Q122 PolarHBondContact OG-NE2 2.91Å; S112-Q122 PolarHBondContact OG-OE1 2.81Å; S118-Q122 PolarHBondContact O-NE2 3.48Å; S118-Q122 VanDerWaalsContact O-NE2 3.1Å; S118-Q122 PolarHBondContact O-OE1 2.8Å; S118-Q122 PolarHBondContact OG-NE2 3.35Å; Y119-Q122 VanDerWaalsContact CA-OE1 3.27Å; Y119-Q122 PolarHBondContact O-N 2.74Å; Y119-Q122 VanDerWaalsContact O-N 3.09Å; Y119-Q122 PolarHBondContact O-OE1 2.9Å
123	Y	98.8	Very high	97.2	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.008	20%	0.195	C	C	.	.			trans	-88.8	144.6	167.2	-62.3	-64.5	0	0	0	110.2	Q105 W185 I186 A189 W232 L396 E398 I401	Q105-Y123 HydrophobicContact CB-CD2 4.12Å; Q105-Y123 HydrophobicContact CG-CD2 4.03Å; Q105-Y123 HydrophobicContact CG-CE2 4.05Å; Q105-Y123 VanDerWaalsContact NE2-CE2 3.33Å; Y123-W185 HydrophobicContact CD1-CB 3.67Å; Y123-W185 HydrophobicContact CD2-CE3 4.16Å; Y123-W185 HydrophobicContact CE1-CB 3.72Å; Y123-W185 HydrophobicContact CG-CB 4.3Å; Y123-W185 HydrophobicContact CG-CE3 4.02Å; Y123-I186 HydrophobicContact CE1-CB 4.47Å; Y123-A189 HydrophobicContact CD1-CB 4.13Å; Y123-A189 HydrophobicContact CE1-CB 4.14Å; Y123-W232 WeakPolarHBondContact O-CH2 3.09Å; Y123-L396 WeakPolarHBondContact CE2-O 3.28Å; Y123-L396 PolarHBondContact OH-O 3.01Å; Y123-E398 HydrophobicContact CD2-CG 4.13Å; Y123-E398 HydrophobicContact CE2-CG 4.3Å; Y123-I401 HydrophobicContact CD1-CD1 3.95Å; Y123-I401 HydrophobicContact CD2-CD1 4.1Å; Y123-I401 HydrophobicContact CE1-CD1 3.74Å; Y123-I401 HydrophobicContact CE1-CG1 4.01Å; Y123-I401 HydrophobicContact CE2-CD1 3.9Å; Y123-I401 HydrophobicContact CE2-CG1 4.42Å; Y123-I401 HydrophobicContact CG-CD1 4.12Å
124	H	98.8	Very high	97.4	Very high	6 Å²	6	32 Å²	32	3%	0.028	18%	0.178	C	C	.	.			trans	-124.7	140.7	-178.1	-61.8	-60.9	0	0	0	112.8	D109 Y119 E128 I129 Y228 W232	D109-H124 PolarHBondContact O-ND1 2.58Å; D109-H124 VanDerWaalsContact O-ND1 3.07Å; D109-H124 WeakPolarHBondContact OD1-CA 3.35Å; D109-H124 IonicContact OD1-ND1 2.73Å; Y119-H124 AromaticContact CD1-NE2 3.5Å; Y119-H124 AromaticContact CD2-CE1 3.45Å; Y119-H124 VanDerWaalsContact CD2-CE1 3.45Å; Y119-H124 WeakPolarHBondContact CD2-CE1 3.48Å; Y119-H124 AromaticContact CD2-NE2 3.6Å; Y119-H124 AromaticContact CE1-CD2 3.59Å; Y119-H124 AromaticContact CE1-NE2 3.39Å; Y119-H124 WeakPolarHBondContact CE1-NE2 3.39Å; Y119-H124 AromaticContact CE2-CE1 3.25Å; Y119-H124 WeakPolarHBondContact CE2-CE1 3.42Å; Y119-H124 AromaticContact CE2-ND1 3.67Å; Y119-H124 AromaticContact CE2-NE2 3.49Å; Y119-H124 WeakPolarHBondContact CE2-NE2 3.48Å; Y119-H124 AromaticContact CG-CE1 3.92Å; Y119-H124 AromaticContact CG-NE2 3.6Å; Y119-H124 AromaticContact CZ-CD2 3.53Å; Y119-H124 AromaticContact CZ-CE1 3.56Å; Y119-H124 AromaticContact CZ-CG 3.78Å; Y119-H124 AromaticContact CZ-ND1 3.8Å; Y119-H124 AromaticContact CZ-NE2 3.36Å; Y119-H124 PolarHBondContact O-NE2 2.85Å; H124-E128 HydrophobicContact CB-CB 4.15Å; H124-E128 HydrophobicContact CB-CG 3.96Å; H124-I129 HydrophobicContact CB-CG1 3.92Å; H124-Y228 WeakPolarHBondContact O-CE1 3.49Å; H124-Y228 PolarHBondContact O-OH 3Å; H124-W232 VanDerWaalsContact C-CH2 3.47Å; H124-W232 WeakPolarHBondContact O-CZ2 3.4Å
125	S	98.9	Very high	97.6	Very high	20 Å²	20	29.5 Å²	29.5	14%	0.14	17%	0.172	C	C	.	.			trans	-64.3	161.5	174.5	68	0	0	0	0	110.9	D109 N127 E128 I129	D109-S125 PolarHBondContact OD1-N 2.71Å; D109-S125 WeakPolarHBondContact OD2-CB 3.38Å; D109-S125 PolarHBondContact OD2-OG 2.88Å; S125-N127 PolarHBondContact O-N 2.88Å; S125-E128 PolarHBondContact O-N 2.97Å; S125-E128 VanDerWaalsContact O-N 3.12Å; S125-E128 WeakPolarHBondContact OG-CB 3.25Å; S125-E128 PolarHBondContact OG-N 2.84Å; S125-I129 WeakPolarHBondContact O-CG1 3.36Å; S125-I129 PolarHBondContact O-N 3.29Å
126	L	98.9	Very high	98.2	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.016	17%	0.167	C	C	.	.	H	α-helix	trans	-56.2	-41.5	179.8	-178.8	65.1	0	0	0	112	E128 I129 Y130 V225 Y228 D229	L126-E128 VanDerWaalsContact C-N 3.35Å; L126-I129 PolarHBondContact O-N 2.76Å; L126-Y130 HydrophobicContact CD1-CE1 4.36Å; L126-Y130 HydrophobicContact CD1-CE2 3.87Å; L126-Y130 HydrophobicContact CD2-CE2 3.76Å; L126-Y130 HydrophobicContact CG-CD2 4.07Å; L126-Y130 HydrophobicContact CG-CE2 3.51Å; L126-Y130 WeakPolarHBondContact O-CD2 3.24Å; L126-Y130 PolarHBondContact O-N 2.97Å; L126-V225 HydrophobicContact CD1-CB 3.87Å; L126-V225 HydrophobicContact CD1-CG1 3.85Å; L126-V225 HydrophobicContact CD2-CB 3.89Å; L126-Y228 HydrophobicContact CB-CD1 4.14Å; L126-Y228 HydrophobicContact CD1-CD1 4.46Å; L126-D229 HydrophobicContact CB-CB 4.16Å; L126-D229 HydrophobicContact CD2-CB 3.87Å
127	N	98.8	Very high	98.3	Very high	111 Å²	111	28 Å²	28	59%	0.594	16%	0.16	S	C	*	.	H	α-helix	trans	-66.7	-37.6	179.8	-174.2	76.9	0	0	0	112.2	S125 Y130 S131	S125-N127 PolarHBondContact O-N 2.88Å; N127-Y130 PolarHBondContact O-N 3.39Å; N127-S131 PolarHBondContact O-N 3.29Å; N127-S131 PolarHBondContact O-OG 2.89Å
128	E	98.8	Very high	98.5	Very high	9 Å²	9	31.4 Å²	31.4	4%	0.042	16%	0.163	C	C	.	.	H	α-helix	trans	-68.7	-38.4	175.7	-176.6	49.2	-139	0	0	111.2	D109 R114 Y119 H124 S125 L126 Y130 S131 W132	D109-E128 VanDerWaalsContact OD1-CB 3.28Å; D109-E128 WeakPolarHBondContact OD1-CB 3.2Å; D109-E128 WeakPolarHBondContact OD1-CG 3.34Å; R114-E128 WeakPolarHBondContact CD-OE1 3.21Å; R114-E128 VanDerWaalsContact CG-OE1 3.25Å; R114-E128 WeakPolarHBondContact CG-OE1 3.36Å; R114-E128 IonicContact CZ-OE1 2.72Å; R114-E128 IonicContact CZ-OE2 3.37Å; R114-E128 IonicContact NE-OE1 3.21Å; R114-E128 PolarHBondContact NE-OE1 3.11Å; R114-E128 IonicContact NE-OE2 3.64Å; R114-E128 PolarHBondContact NE-OE2 3.33Å; R114-E128 IonicContact NH2-OE1 3.3Å; R114-E128 IonicContact NH2-OE2 3.61Å; R114-E128 PolarHBondContact NH2-OE2 3.29Å; Y119-E128 HydrophobicContact CE2-CG 4.22Å; Y119-E128 VanDerWaalsContact CE2-OE1 3.28Å; Y119-E128 WeakPolarHBondContact CE2-OE1 3.21Å; Y119-E128 WeakPolarHBondContact OH-CG 3.31Å; Y119-E128 PolarHBondContact OH-OE1 2.92Å; H124-E128 HydrophobicContact CB-CB 4.15Å; H124-E128 HydrophobicContact CB-CG 3.96Å; S125-E128 PolarHBondContact O-N 2.97Å; S125-E128 VanDerWaalsContact O-N 3.12Å; S125-E128 WeakPolarHBondContact OG-CB 3.25Å; S125-E128 PolarHBondContact OG-N 2.84Å; L126-E128 VanDerWaalsContact C-N 3.35Å; E128-Y130 PolarHBondContact O-N 3.39Å; E128-S131 WeakPolarHBondContact O-CB 3.35Å; E128-S131 PolarHBondContact O-N 2.9Å; E128-W132 WeakPolarHBondContact O-CB 3.34Å; E128-W132 PolarHBondContact O-N 2.89Å
129	I	98.9	Very high	98.6	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.015	17%	0.165	C	C	.	.	H	α-helix	trans	-60.9	-44.3	171.2	-67.6	172.8	0	0	0	111.5	H124 S125 L126 S131 W132 I133 P188 L192 P221 V222 Y228	H124-I129 HydrophobicContact CB-CG1 3.92Å; S125-I129 WeakPolarHBondContact O-CG1 3.36Å; S125-I129 PolarHBondContact O-N 3.29Å; L126-I129 PolarHBondContact O-N 2.76Å; I129-S131 VanDerWaalsContact C-N 3.34Å; I129-S131 PolarHBondContact O-N 2.91Å; I129-W132 PolarHBondContact O-N 2.87Å; I129-I133 HydrophobicContact CG2-CD1 4.11Å; I129-I133 WeakPolarHBondContact O-CG1 3.44Å; I129-I133 PolarHBondContact O-N 3.1Å; I129-P188 HydrophobicContact CD1-CB 4.43Å; I129-L192 HydrophobicContact CG1-CD1 4.34Å; I129-L192 HydrophobicContact CG1-CD2 4.05Å; I129-L192 HydrophobicContact CG2-CD1 4.15Å; I129-P221 HydrophobicContact CG2-CB 4.42Å; I129-V222 HydrophobicContact CD1-CG2 3.79Å; I129-V222 HydrophobicContact CG2-CG2 4.46Å; I129-Y228 HydrophobicContact CD1-CE1 3.7Å
130	Y	98.9	Very high	98.6	Very high	34 Å²	34	35 Å²	35	13%	0.133	17%	0.171	C	C	.	.	H	α-helix	trans	-61.9	-42.5	174.7	-71.5	-42.4	0	0	0	112.1	L126 N127 E128 W132 I133 E134 P157 Y159 V225	L126-Y130 HydrophobicContact CD1-CE1 4.36Å; L126-Y130 HydrophobicContact CD1-CE2 3.87Å; L126-Y130 HydrophobicContact CD2-CE2 3.76Å; L126-Y130 HydrophobicContact CG-CD2 4.07Å; L126-Y130 HydrophobicContact CG-CE2 3.51Å; L126-Y130 WeakPolarHBondContact O-CD2 3.24Å; L126-Y130 PolarHBondContact O-N 2.97Å; N127-Y130 PolarHBondContact O-N 3.39Å; E128-Y130 PolarHBondContact O-N 3.39Å; Y130-W132 VanDerWaalsContact C-N 3.28Å; Y130-W132 PolarHBondContact O-N 2.89Å; Y130-I133 HydrophobicContact CD1-CD1 4.25Å; Y130-I133 WeakPolarHBondContact O-CB 3.24Å; Y130-I133 PolarHBondContact O-N 3.18Å; Y130-E134 PolarHBondContact O-N 2.65Å; Y130-E134 VanDerWaalsContact O-N 3.14Å; Y130-P157 HydrophobicContact CE1-CG 4.08Å; Y130-P157 HydrophobicContact CE2-CG 4.47Å; Y130-P157 PolarHBondContact OH-O 3.18Å; Y130-Y159 AromaticContact CD1-CD2 3.72Å; Y130-Y159 HydrophobicContact CD1-CD2 3.72Å; Y130-Y159 AromaticContact CD1-CE2 3.82Å; Y130-Y159 HydrophobicContact CD1-CE2 3.82Å; Y130-Y159 AromaticContact CE1-CD2 3.69Å; Y130-Y159 HydrophobicContact CE1-CD2 3.69Å; Y130-Y159 AromaticContact CE1-CE2 3.93Å; Y130-Y159 HydrophobicContact CE1-CE2 3.93Å; Y130-V225 WeakPolarHBondContact OH-CG1 3.43Å
131	S	98.8	Very high	98.6	Very high	34 Å²	34	38.3 Å²	38.3	24%	0.238	20%	0.195	C	C	.	.	H	α-helix	trans	-62.1	-38	176.6	-57.6	0	0	0	0	111.8	N127 E128 I129 L135	N127-S131 PolarHBondContact O-N 3.29Å; N127-S131 PolarHBondContact O-OG 2.89Å; E128-S131 WeakPolarHBondContact O-CB 3.35Å; E128-S131 PolarHBondContact O-N 2.9Å; I129-S131 VanDerWaalsContact C-N 3.34Å; I129-S131 PolarHBondContact O-N 2.91Å; S131-L135 WeakPolarHBondContact O-CB 3.37Å; S131-L135 PolarHBondContact O-N 3.25Å; S131-L135 VanDerWaalsContact O-N 3.13Å
132	W	98.8	Very high	98.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-68.7	-38.2	173.4	170.5	88	0	0	0	112.9	Y119 Y120 E128 I129 Y130 E134 L135 I136 L161 L192 I195 P221	Y119-W132 HydrophobicContact CE1-CB 4.18Å; Y119-W132 AromaticContact CE1-CD1 3.42Å; Y119-W132 VanDerWaalsContact CE1-CD1 3.42Å; Y119-W132 AromaticContact CE1-CG 3.84Å; Y119-W132 HydrophobicContact CE1-CG 3.84Å; Y119-W132 VanDerWaalsContact OH-CB 3.3Å; Y119-W132 WeakPolarHBondContact OH-CB 3.03Å; Y120-W132 AromaticContact CE1-CE2 3.89Å; Y120-W132 AromaticContact CE1-CZ2 3.95Å; Y120-W132 HydrophobicContact CE1-CZ2 3.95Å; Y120-W132 AromaticContact CE1-NE1 3.47Å; Y120-W132 AromaticContact CZ-NE1 3.6Å; Y120-W132 PolarHBondContact OH-NE1 3.27Å; E128-W132 WeakPolarHBondContact O-CB 3.34Å; E128-W132 PolarHBondContact O-N 2.89Å; I129-W132 PolarHBondContact O-N 2.87Å; Y130-W132 VanDerWaalsContact C-N 3.28Å; Y130-W132 PolarHBondContact O-N 2.89Å; W132-E134 VanDerWaalsContact C-N 3.34Å; W132-E134 PolarHBondContact O-N 3.2Å; W132-L135 PolarHBondContact O-N 3.38Å; W132-I136 HydrophobicContact CD2-CB 4.47Å; W132-I136 HydrophobicContact CD2-CG2 4.25Å; W132-I136 HydrophobicContact CE3-CG2 4.38Å; W132-I136 HydrophobicContact CH2-CG2 4.09Å; W132-I136 HydrophobicContact CZ2-CB 4.18Å; W132-I136 HydrophobicContact CZ2-CG1 4.05Å; W132-I136 HydrophobicContact CZ2-CG2 3.96Å; W132-I136 HydrophobicContact CZ3-CG2 4.3Å; W132-I136 WeakPolarHBondContact O-CB 3.39Å; W132-I136 VanDerWaalsContact O-CG2 3.3Å; W132-I136 WeakPolarHBondContact O-CG2 3.29Å; W132-I136 PolarHBondContact O-N 3.33Å; W132-L161 HydrophobicContact CH2-CD1 4.25Å; W132-L161 HydrophobicContact CZ3-CD1 4.07Å; W132-L192 HydrophobicContact CD2-CD2 4.37Å; W132-L192 HydrophobicContact CD2-CG 4.03Å; W132-L192 HydrophobicContact CE3-CD1 4.08Å; W132-L192 HydrophobicContact CE3-CD2 4.37Å; W132-L192 HydrophobicContact CE3-CG 3.78Å; W132-L192 HydrophobicContact CH2-CB 4.41Å; W132-L192 HydrophobicContact CH2-CD1 4.36Å; W132-L192 HydrophobicContact CH2-CG 3.97Å; W132-L192 HydrophobicContact CZ2-CB 4.44Å; W132-L192 HydrophobicContact CZ2-CG 4.18Å; W132-L192 HydrophobicContact CZ3-CD1 3.85Å; W132-L192 HydrophobicContact CZ3-CG 3.77Å; W132-I195 HydrophobicContact CH2-CB 3.81Å; W132-I195 HydrophobicContact CH2-CD1 3.77Å; W132-I195 HydrophobicContact CH2-CG1 4.41Å; W132-I195 HydrophobicContact CH2-CG2 3.79Å; W132-I195 HydrophobicContact CZ2-CB 4.17Å; W132-I195 HydrophobicContact CZ2-CG2 4.04Å; W132-I195 HydrophobicContact CZ3-CD1 4.35Å; W132-P221 HydrophobicContact CZ3-CG 4.45Å
133	I	98.9	Very high	98.5	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-57.7	-46.4	175.2	-78.1	168.1	0	0	0	110.8	I129 Y130 T137 K146 Y159 L161 P221	I129-I133 HydrophobicContact CG2-CD1 4.11Å; I129-I133 WeakPolarHBondContact O-CG1 3.44Å; I129-I133 PolarHBondContact O-N 3.1Å; Y130-I133 HydrophobicContact CD1-CD1 4.25Å; Y130-I133 WeakPolarHBondContact O-CB 3.24Å; Y130-I133 PolarHBondContact O-N 3.18Å; I133-T137 WeakPolarHBondContact O-CB 3.45Å; I133-T137 VanDerWaalsContact O-CG2 3.25Å; I133-T137 WeakPolarHBondContact O-CG2 3.09Å; I133-T137 PolarHBondContact O-N 2.93Å; I133-T137 PolarHBondContact O-OG1 3.06Å; I133-K146 HydrophobicContact CG2-CD 3.53Å; I133-K146 HydrophobicContact CG2-CG 3.95Å; I133-Y159 HydrophobicContact CD1-CD2 4.21Å; I133-Y159 HydrophobicContact CG2-CD2 4.45Å; I133-L161 HydrophobicContact CG1-CD1 4.18Å; I133-L161 HydrophobicContact CG2-CD2 4.12Å; I133-P221 HydrophobicContact CD1-CG 4.44Å
134	E	98.6	Very high	98.5	Very high	63 Å²	63	39 Å²	39	29%	0.294	20%	0.202	S	C	.	.	H	α-helix	trans	-61.3	-52.8	175.3	-59.4	-51.2	140.8	0	0	110.5	Y130 W132 I136 T137 E138 K146	Y130-E134 PolarHBondContact O-N 2.65Å; Y130-E134 VanDerWaalsContact O-N 3.14Å; W132-E134 VanDerWaalsContact C-N 3.34Å; W132-E134 PolarHBondContact O-N 3.2Å; E134-I136 PolarHBondContact O-N 2.86Å; E134-T137 PolarHBondContact O-N 3.26Å; E134-T137 PolarHBondContact O-OG1 3.37Å; E134-E138 WeakPolarHBondContact O-CG 3.37Å; E134-E138 PolarHBondContact O-N 3.18Å; E134-K146 IonicContact OE1-NZ 3.79Å; E134-K146 PolarHBondContact OE1-NZ 3.12Å; E134-K146 IonicContact OE2-NZ 3.14Å; E134-K146 PolarHBondContact OE2-NZ 2.93Å
135	L	98.5	Very high	98.5	Very high	55 Å²	55	42.4 Å²	42.4	29%	0.288	22%	0.223	S	C	.	.	H	α-helix	trans	-60.2	-44.1	-176.9	-178.6	146.5	0	0	0	113.3	R114 A115 S131 W132 T137 E138 K139	R114-L135 HydrophobicContact CB-CD1 3.71Å; R114-L135 HydrophobicContact CB-CD2 4.13Å; R114-L135 HydrophobicContact CB-CG 4.48Å; R114-L135 HydrophobicContact CG-CD1 4.45Å; A115-L135 HydrophobicContact CB-CD2 3.87Å; S131-L135 WeakPolarHBondContact O-CB 3.37Å; S131-L135 PolarHBondContact O-N 3.25Å; S131-L135 VanDerWaalsContact O-N 3.13Å; W132-L135 PolarHBondContact O-N 3.38Å; L135-T137 VanDerWaalsContact C-N 3.34Å; L135-E138 PolarHBondContact O-N 3.04Å; L135-K139 VanDerWaalsContact O-CB 3.29Å; L135-K139 WeakPolarHBondContact O-CB 3.27Å; L135-K139 PolarHBondContact O-N 3.08Å
136	I	98.6	Very high	98.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-71.8	-33.5	-175.1	-159.7	66.2	0	0	0	111.3	A115 W132 E134 K139 Y140 L144 L161 I195	A115-I136 HydrophobicContact CB-CD1 4.15Å; W132-I136 HydrophobicContact CD2-CB 4.47Å; W132-I136 HydrophobicContact CD2-CG2 4.25Å; W132-I136 HydrophobicContact CE3-CG2 4.38Å; W132-I136 HydrophobicContact CH2-CG2 4.09Å; W132-I136 HydrophobicContact CZ2-CB 4.18Å; W132-I136 HydrophobicContact CZ2-CG1 4.05Å; W132-I136 HydrophobicContact CZ2-CG2 3.96Å; W132-I136 HydrophobicContact CZ3-CG2 4.3Å; W132-I136 WeakPolarHBondContact O-CB 3.39Å; W132-I136 VanDerWaalsContact O-CG2 3.3Å; W132-I136 WeakPolarHBondContact O-CG2 3.29Å; W132-I136 PolarHBondContact O-N 3.33Å; E134-I136 PolarHBondContact O-N 2.86Å; I136-K139 PolarHBondContact O-N 3.38Å; I136-Y140 HydrophobicContact CD1-CD2 3.72Å; I136-Y140 HydrophobicContact CD1-CE2 3.68Å; I136-Y140 HydrophobicContact CG1-CD2 4.16Å; I136-Y140 PolarHBondContact O-N 3.07Å; I136-L144 HydrophobicContact CB-CD1 4.3Å; I136-L144 HydrophobicContact CG1-CD1 3.72Å; I136-L144 HydrophobicContact CG2-CD1 3.9Å; I136-L161 HydrophobicContact CG2-CD1 4.1Å; I136-I195 HydrophobicContact CG1-CG2 4.44Å
137	T	98.6	Very high	98.5	Very high	18 Å²	18	46.9 Å²	46.9	11%	0.11	24%	0.241	C	C	.	.	H	α-helix	trans	-75.6	-31.4	177.6	56.5	0	0	0	0	112.1	I133 E134 L135 P141 L144 K146 L161	I133-T137 WeakPolarHBondContact O-CB 3.45Å; I133-T137 VanDerWaalsContact O-CG2 3.25Å; I133-T137 WeakPolarHBondContact O-CG2 3.09Å; I133-T137 PolarHBondContact O-N 2.93Å; I133-T137 PolarHBondContact O-OG1 3.06Å; E134-T137 PolarHBondContact O-N 3.26Å; E134-T137 PolarHBondContact O-OG1 3.37Å; L135-T137 VanDerWaalsContact C-N 3.34Å; T137-P141 WeakPolarHBondContact O-CA 3.38Å; T137-L144 HydrophobicContact CG2-CB 4.02Å; T137-L144 HydrophobicContact CG2-CD1 4.48Å; T137-K146 HydrophobicContact CG2-CB 4.12Å; T137-L161 HydrophobicContact CG2-CD1 4.34Å; T137-L161 HydrophobicContact CG2-CD2 3.67Å
138	E	98.3	Very high	98.5	Very high	148 Å²	148	46.7 Å²	46.7	69%	0.692	24%	0.236	S	C	*	.	H	α-helix	trans	-70.9	-35	168.2	-71.6	177.6	-178.5	0	0	112.7	E134 L135 P141	E134-E138 WeakPolarHBondContact O-CG 3.37Å; E134-E138 PolarHBondContact O-N 3.18Å; L135-E138 PolarHBondContact O-N 3.04Å; E138-P141 WeakPolarHBondContact O-CD 3.49Å
139	K	98.1	Very high	98.5	Very high	95 Å²	95	47 Å²	47	41%	0.413	24%	0.238	S	C	.	.	H	α-helix	trans	-71.3	-37.9	178.7	-172	-178.5	178.9	-155.6	0	112.6	A115 L135 I136 P141 E200	A115-K139 HydrophobicContact CB-CD 4.49Å; L135-K139 VanDerWaalsContact O-CB 3.29Å; L135-K139 WeakPolarHBondContact O-CB 3.27Å; L135-K139 PolarHBondContact O-N 3.08Å; I136-K139 PolarHBondContact O-N 3.38Å; K139-P141 VanDerWaalsContact C-CD 3.42Å; K139-P141 WeakPolarHBondContact O-CD 3.3Å; K139-E200 IonicContact NZ-OE2 3.36Å; K139-E200 PolarHBondContact NZ-OE2 3.44Å
140	Y	97.9	Very high	98.5	Very high	34 Å²	34	47.8 Å²	47.8	13%	0.133	25%	0.247	C	C	.	.			trans	-125.7	59.4	-177.9	-59.7	-72.9	0	0	0	112.9	I136 D142 M143 L144 T199 E200	I136-Y140 HydrophobicContact CD1-CD2 3.72Å; I136-Y140 HydrophobicContact CD1-CE2 3.68Å; I136-Y140 HydrophobicContact CG1-CD2 4.16Å; I136-Y140 PolarHBondContact O-N 3.07Å; Y140-D142 PolarHBondContact O-N 2.86Å; Y140-M143 PolarHBondContact O-N 3.36Å; Y140-M143 VanDerWaalsContact O-N 3.1Å; Y140-L144 PolarHBondContact O-N 3Å; Y140-T199 HydrophobicContact CD2-CG2 4.47Å; Y140-E200 PolarHBondContact OH-OE2 2.92Å
141	P	97.8	Very high	98.5	Very high	91 Å²	91	48.6 Å²	48.6	59%	0.591	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.9	-174.5	30.7	-36.3	0	0	0	112.9	T137 E138 K139 M143	T137-P141 WeakPolarHBondContact O-CA 3.38Å; E138-P141 WeakPolarHBondContact O-CD 3.49Å; K139-P141 VanDerWaalsContact C-CD 3.42Å; K139-P141 WeakPolarHBondContact O-CD 3.3Å; P141-M143 VanDerWaalsContact C-N 3.34Å
142	D	96.8	Very high	98.5	Very high	80 Å²	80	47 Å²	47	43%	0.428	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-11.4	176.6	62	-35.6	0	0	0	113.5	Y140 K166	Y140-D142 PolarHBondContact O-N 2.86Å; D142-K166 WeakPolarHBondContact OD2-CE 3.34Å; D142-K166 IonicContact OD2-NZ 2.83Å; D142-K166 PolarHBondContact OD2-NZ 2.8Å
143	M	98.1	Very high	98.5	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.03	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-30.1	-179.7	-65	-171	67.1	0	0	113.5	Y140 P141 S164 T199 Y202 L212	Y140-M143 PolarHBondContact O-N 3.36Å; Y140-M143 VanDerWaalsContact O-N 3.1Å; P141-M143 VanDerWaalsContact C-N 3.34Å; M143-S164 WeakPolarHBondContact CA-O 3.46Å; M143-S164 PolarHBondContact O-N 3.13Å; M143-T199 HydrophobicContact CB-CG2 4.45Å; M143-T199 HydrophobicContact CE-CG2 4.3Å; M143-T199 HydrophobicContact SD-CG2 4.43Å; M143-Y202 HydrophobicContact CE-CD1 3.89Å; M143-Y202 HydrophobicContact CE-CD2 3.57Å; M143-Y202 HydrophobicContact CE-CE2 4.18Å; M143-Y202 HydrophobicContact CE-CG 3.37Å; M143-Y202 HydrophobicContact SD-CD1 3.71Å; M143-Y202 HydrophobicContact SD-CD2 4.48Å; M143-Y202 HydrophobicContact SD-CE1 4.43Å; M143-Y202 HydrophobicContact SD-CG 3.74Å; M143-L212 HydrophobicContact CE-CD1 3.49Å; M143-L212 VanDerWaalsContact CE-CD1 3.49Å
144	L	98.6	Very high	98.5	Very high	6 Å²	6	54.9 Å²	54.9	3%	0.031	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	133	-172.7	-61	-175.6	0	0	0	112.1	I136 T137 Y140 K162 V163 I195 T199	I136-L144 HydrophobicContact CB-CD1 4.3Å; I136-L144 HydrophobicContact CG1-CD1 3.72Å; I136-L144 HydrophobicContact CG2-CD1 3.9Å; T137-L144 HydrophobicContact CG2-CB 4.02Å; T137-L144 HydrophobicContact CG2-CD1 4.48Å; Y140-L144 PolarHBondContact O-N 3Å; L144-K162 VanDerWaalsContact CA-O 3.29Å; L144-K162 WeakPolarHBondContact CA-O 3.48Å; L144-V163 HydrophobicContact CD2-CB 4.07Å; L144-V163 HydrophobicContact CD2-CG1 3.97Å; L144-V163 HydrophobicContact CD2-CG2 3.71Å; L144-I195 HydrophobicContact CD1-CG2 3.88Å; L144-I195 HydrophobicContact CD2-CG2 4.07Å; L144-T199 HydrophobicContact CD1-CG2 4.06Å; L144-T199 HydrophobicContact CD2-CG2 3.77Å; L144-T199 HydrophobicContact CG-CG2 3.93Å
145	T	98.7	Very high	98.5	Very high	77 Å²	77	59 Å²	59	47%	0.472	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121	169.7	-52.4	0	0	0	0	110	I147 L161 K162	T145-I147 HydrophobicContact CG2-CG1 4.28Å; T145-L161 WeakPolarHBondContact O-CA 3.45Å; T145-K162 PolarHBondContact N-O 3.09Å; T145-K162 PolarHBondContact O-N 3.43Å
146	K	98.8	Very high	98.5	Very high	74 Å²	74	59 Å²	59	32%	0.322	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	122.3	172.5	-168.6	-179.8	68.8	-176.5	0	110.4	I133 E134 T137 Y159 L161	I133-K146 HydrophobicContact CG2-CD 3.53Å; I133-K146 HydrophobicContact CG2-CG 3.95Å; E134-K146 IonicContact OE1-NZ 3.79Å; E134-K146 PolarHBondContact OE1-NZ 3.12Å; E134-K146 IonicContact OE2-NZ 3.14Å; E134-K146 PolarHBondContact OE2-NZ 2.93Å; T137-K146 HydrophobicContact CG2-CB 4.12Å; K146-Y159 HydrophobicContact CD-CD1 4.07Å; K146-Y159 HydrophobicContact CD-CE1 4.06Å; K146-Y159 HydrophobicContact CD-CG 4.44Å; K146-Y159 HydrophobicContact CG-CD1 3.85Å; K146-Y159 HydrophobicContact CG-CE1 4.27Å; K146-Y159 HydrophobicContact CG-CG 4.28Å; K146-L161 HydrophobicContact CB-CD2 3.94Å; K146-L161 HydrophobicContact CG-CD2 4Å
147	I	98.9	Very high	98.5	Very high	42 Å²	42	60.6 Å²	60.6	22%	0.215	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	117.7	-179.2	-53.1	171.1	0	0	0	108.6	T145 I149 Y159 V160 K162 Y218 F295	T145-I147 HydrophobicContact CG2-CG1 4.28Å; I147-I149 HydrophobicContact CG2-CG2 3.95Å; I147-Y159 WeakPolarHBondContact O-CA 3.28Å; I147-V160 HydrophobicContact CB-CB 4.36Å; I147-V160 PolarHBondContact N-O 2.8Å; I147-V160 PolarHBondContact O-N 3.2Å; I147-K162 HydrophobicContact CD1-CB 4.04Å; I147-Y218 HydrophobicContact CD1-CD1 4.1Å; I147-Y218 HydrophobicContact CD1-CE1 3.69Å; I147-F295 HydrophobicContact CD1-CE2 4.37Å; I147-F295 HydrophobicContact CD1-CZ 4.46Å; I147-F295 HydrophobicContact CG2-CE2 4.15Å
148	H	98.9	Very high	98.5	Very high	107 Å²	107	59.7 Å²	59.7	50%	0.495	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	117.7	170.5	177.6	-118.6	0	0	0	109.6	G150 Y159	H148-G150 PolarHBondContact CD2-O 3.24Å; H148-G150 PolarHBondContact NE2-O 3.08Å; H148-Y159 HydrophobicContact CB-CD1 4.22Å; H148-Y159 HydrophobicContact CB-CE1 4.03Å
149	I	98.9	Very high	98.6	Very high	16 Å²	16	54.9 Å²	54.9	8%	0.082	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-11.9	-174.7	65	160.7	0	0	0	114	I147 L158 V160 M220 A291 V292 F295	I147-I149 HydrophobicContact CG2-CG2 3.95Å; I149-L158 HydrophobicContact CD1-CB 4.44Å; I149-L158 HydrophobicContact CG1-CB 3.79Å; I149-L158 WeakPolarHBondContact CG1-O 3.37Å; I149-L158 PolarHBondContact N-O 3.27Å; I149-V160 HydrophobicContact CD1-CG2 3.77Å; I149-V160 HydrophobicContact CG1-CG2 4.14Å; I149-V160 HydrophobicContact CG2-CB 4.18Å; I149-V160 HydrophobicContact CG2-CG2 3.64Å; I149-M220 HydrophobicContact CD1-CE 3.91Å; I149-M220 HydrophobicContact CD1-SD 3.84Å; I149-A291 HydrophobicContact CD1-CB 4.15Å; I149-A291 HydrophobicContact CG1-CB 4.24Å; I149-V292 HydrophobicContact CD1-CG2 4.16Å; I149-F295 HydrophobicContact CB-CB 4.5Å; I149-F295 HydrophobicContact CB-CD2 4.43Å; I149-F295 HydrophobicContact CG2-CB 4.28Å; I149-F295 HydrophobicContact CG2-CD2 3.45Å; I149-F295 VanDerWaalsContact CG2-CD2 3.45Å; I149-F295 HydrophobicContact CG2-CE2 4.03Å; I149-F295 HydrophobicContact CG2-CG 4.01Å
150	G	98.8	Very high	98.6	Very high	19 Å²	19	50.3 Å²	50.3	20%	0.196	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.9	-167	-178.6	0	0	0	0	0	111.6	H148 L158	H148-G150 PolarHBondContact CD2-O 3.24Å; H148-G150 PolarHBondContact NE2-O 3.08Å; G150-L158 WeakPolarHBondContact O-CB 3.12Å; G150-L158 PolarHBondContact O-N 3.47Å
151	S	98.9	Very high	98.7	Very high	51 Å²	51	48.7 Å²	48.7	36%	0.357	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	150.2	177.4	-49	0	0	0	0	110.1	H156 P287	S151-H156 CarbonylContact C-O 3.52Å; S151-H156 VanDerWaalsContact CA-O 3.22Å; S151-H156 WeakPolarHBondContact CA-O 3.3Å; S151-P287 WeakPolarHBondContact O-CB 3.27Å
152	S	98.9	Very high	98.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.232	C	C	.	.			trans	-69.1	178.5	173.7	71.7	0	0	0	0	112.5	E154 K155 H156 V225 D226 E288	S152-E154 VanDerWaalsContact C-N 3.35Å; S152-E154 PolarHBondContact O-N 3.34Å; S152-K155 PolarHBondContact O-N 2.91Å; S152-K155 VanDerWaalsContact O-N 3.14Å; S152-K155 PolarHBondContact OG-N 3.19Å; S152-H156 PolarHBondContact N-O 3.09Å; S152-H156 WeakPolarHBondContact OG-CB 3.29Å; S152-H156 PolarHBondContact OG-N 3.48Å; S152-V225 VanDerWaalsContact CB-CG2 3.42Å; S152-D226 WeakPolarHBondContact CB-OD1 3.45Å; S152-D226 VanDerWaalsContact CB-OD2 3.31Å; S152-D226 WeakPolarHBondContact CB-OD2 3.32Å; S152-D226 PolarHBondContact OG-OD1 3.07Å; S152-D226 PolarHBondContact OG-OD2 2.88Å; S152-D226 VanDerWaalsContact OG-OD2 3.12Å; S152-E288 WeakPolarHBondContact CA-OE1 3.13Å; S152-E288 VanDerWaalsContact CB-OE1 3.28Å; S152-E288 WeakPolarHBondContact CB-OE1 3.47Å
153	Y	98.8	Very high	98.8	Very high	81 Å²	81	42.9 Å²	42.9	32%	0.318	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-48.3	174.5	-174.8	-92.5	0	0	0	111.7	K155 D226 S243 F244 E288	Y153-K155 WeakPolarHBondContact O-CE 3.42Å; Y153-K155 PolarHBondContact O-N 3.37Å; Y153-K155 PolarHBondContact O-NZ 3.03Å; Y153-D226 PolarHBondContact N-OD2 2.02Å; Y153-S243 VanDerWaalsContact CD2-CB 3.48Å; Y153-F244 PolarHBondContact OH-O 3.39Å; Y153-E288 PolarHBondContact N-OE1 2.87Å
154	E	98.8	Very high	98.8	Very high	90 Å²	90	43.4 Å²	43.4	42%	0.421	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	10.4	177.6	-58.3	-179.9	168.2	0	0	113.7	S152 D226 R242	S152-E154 VanDerWaalsContact C-N 3.35Å; S152-E154 PolarHBondContact O-N 3.34Å; E154-D226 WeakPolarHBondContact CB-OD2 3.46Å; E154-D226 HydrophobicContact CG-CB 4.27Å; E154-D226 WeakPolarHBondContact CG-OD2 3.37Å; E154-D226 PolarHBondContact N-OD2 3.35Å; E154-R242 HydrophobicContact CG-CB 4.36Å; E154-R242 VanDerWaalsContact OE1-CB 3.32Å; E154-R242 WeakPolarHBondContact OE1-CB 3.46Å
155	K	98.8	Very high	98.6	Very high	150 Å²	150	43.3 Å²	43.3	65%	0.652	22%	0.217	S	C	*	.			trans	72.8	22.1	172.6	-43.7	-55.5	171.7	-140.6	0	115.6	S152 Y153	S152-K155 PolarHBondContact O-N 2.91Å; S152-K155 VanDerWaalsContact O-N 3.14Å; S152-K155 PolarHBondContact OG-N 3.19Å; Y153-K155 WeakPolarHBondContact O-CE 3.42Å; Y153-K155 PolarHBondContact O-N 3.37Å; Y153-K155 PolarHBondContact O-NZ 3.03Å
156	H	98.8	Very high	98.3	Very high	53 Å²	53	45.5 Å²	45.5	25%	0.245	22%	0.22	C	C	.	.			trans	-70.2	145.2	165.1	-64.8	104.6	0	0	0	110.7	S151 S152 V225 D226	S151-H156 CarbonylContact C-O 3.52Å; S151-H156 VanDerWaalsContact CA-O 3.22Å; S151-H156 WeakPolarHBondContact CA-O 3.3Å; S152-H156 PolarHBondContact N-O 3.09Å; S152-H156 WeakPolarHBondContact OG-CB 3.29Å; S152-H156 PolarHBondContact OG-N 3.48Å; H156-V225 HydrophobicContact CB-CB 4.37Å; H156-V225 HydrophobicContact CB-CG2 3.63Å; H156-D226 IonicContact CE1-OD1 3.7Å; H156-D226 IonicContact CG-OD1 2.71Å; H156-D226 IonicContact ND1-OD1 2.68Å; H156-D226 PolarHBondContact ND1-OD1 2.88Å
157	P	98.9	Very high	97.7	Very high	34 Å²	34	45 Å²	45	22%	0.221	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	137.9	179.3	30.3	-35.2	0	0	0	111.7	Y130 Y159	Y130-P157 HydrophobicContact CE1-CG 4.08Å; Y130-P157 HydrophobicContact CE2-CG 4.47Å; Y130-P157 PolarHBondContact OH-O 3.18Å; P157-Y159 HydrophobicContact CB-CD2 4.36Å; P157-Y159 HydrophobicContact CB-CE1 4.12Å; P157-Y159 HydrophobicContact CB-CE2 3.69Å; P157-Y159 HydrophobicContact CG-CD2 4.31Å; P157-Y159 HydrophobicContact CG-CE2 3.5Å; P157-Y159 VanDerWaalsContact CG-CE2 3.5Å
158	L	98.9	Very high	96.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	114.5	175.6	-58.8	176.7	0	0	0	109.4	I149 G150 M220 V225 E288 A291	I149-L158 HydrophobicContact CD1-CB 4.44Å; I149-L158 HydrophobicContact CG1-CB 3.79Å; I149-L158 WeakPolarHBondContact CG1-O 3.37Å; I149-L158 PolarHBondContact N-O 3.27Å; G150-L158 WeakPolarHBondContact O-CB 3.12Å; G150-L158 PolarHBondContact O-N 3.47Å; L158-M220 HydrophobicContact CB-CE 3.84Å; L158-M220 HydrophobicContact CD2-CE 4.1Å; L158-M220 HydrophobicContact CG-CE 4.41Å; L158-V225 HydrophobicContact CD2-CG1 3.99Å; L158-V225 HydrophobicContact CD2-CG2 3.66Å; L158-E288 HydrophobicContact CD1-CB 4.3Å; L158-E288 HydrophobicContact CD1-CG 4.28Å; L158-E288 HydrophobicContact CD2-CG 4.29Å; L158-A291 HydrophobicContact CD1-CB 3.69Å
159	Y	98.9	Very high	96.3	Very high	46 Å²	46	51.8 Å²	51.8	18%	0.18	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136.2	-176	-65.8	-55.5	0	0	0	113	Y130 I133 K146 I147 H148 P157	Y130-Y159 AromaticContact CD1-CD2 3.72Å; Y130-Y159 HydrophobicContact CD1-CD2 3.72Å; Y130-Y159 AromaticContact CD1-CE2 3.82Å; Y130-Y159 HydrophobicContact CD1-CE2 3.82Å; Y130-Y159 AromaticContact CE1-CD2 3.69Å; Y130-Y159 HydrophobicContact CE1-CD2 3.69Å; Y130-Y159 AromaticContact CE1-CE2 3.93Å; Y130-Y159 HydrophobicContact CE1-CE2 3.93Å; I133-Y159 HydrophobicContact CD1-CD2 4.21Å; I133-Y159 HydrophobicContact CG2-CD2 4.45Å; K146-Y159 HydrophobicContact CD-CD1 4.07Å; K146-Y159 HydrophobicContact CD-CE1 4.06Å; K146-Y159 HydrophobicContact CD-CG 4.44Å; K146-Y159 HydrophobicContact CG-CD1 3.85Å; K146-Y159 HydrophobicContact CG-CE1 4.27Å; K146-Y159 HydrophobicContact CG-CG 4.28Å; I147-Y159 WeakPolarHBondContact O-CA 3.28Å; H148-Y159 HydrophobicContact CB-CD1 4.22Å; H148-Y159 HydrophobicContact CB-CE1 4.03Å; P157-Y159 HydrophobicContact CB-CD2 4.36Å; P157-Y159 HydrophobicContact CB-CE1 4.12Å; P157-Y159 HydrophobicContact CB-CE2 3.69Å; P157-Y159 HydrophobicContact CG-CD2 4.31Å; P157-Y159 HydrophobicContact CG-CE2 3.5Å; P157-Y159 VanDerWaalsContact CG-CE2 3.5Å
160	V	98.9	Very high	95.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	134.7	166.8	175.9	0	0	0	0	107.8	I147 I149 W175 Y218 M220 F295	I147-V160 HydrophobicContact CB-CB 4.36Å; I147-V160 PolarHBondContact N-O 2.8Å; I147-V160 PolarHBondContact O-N 3.2Å; I149-V160 HydrophobicContact CD1-CG2 3.77Å; I149-V160 HydrophobicContact CG1-CG2 4.14Å; I149-V160 HydrophobicContact CG2-CB 4.18Å; I149-V160 HydrophobicContact CG2-CG2 3.64Å; V160-W175 HydrophobicContact CB-CZ3 4.5Å; V160-W175 HydrophobicContact CG1-CH2 4.48Å; V160-W175 HydrophobicContact CG1-CZ3 3.92Å; V160-W175 HydrophobicContact CG2-CH2 3.56Å; V160-W175 HydrophobicContact CG2-CZ3 3.72Å; V160-Y218 HydrophobicContact CG1-CD1 3.92Å; V160-Y218 HydrophobicContact CG1-CG 4.31Å; V160-M220 HydrophobicContact CG2-CB 4.18Å; V160-M220 HydrophobicContact CG2-CG 4.3Å; V160-M220 HydrophobicContact CG2-SD 4.27Å; V160-F295 HydrophobicContact CG1-CZ 4.45Å
161	L	98.9	Very high	95.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	114.7	171.2	-62.6	-170.3	0	0	0	109.1	W132 I133 I136 T137 T145 K146 I195 V219	W132-L161 HydrophobicContact CH2-CD1 4.25Å; W132-L161 HydrophobicContact CZ3-CD1 4.07Å; I133-L161 HydrophobicContact CG1-CD1 4.18Å; I133-L161 HydrophobicContact CG2-CD2 4.12Å; I136-L161 HydrophobicContact CG2-CD1 4.1Å; T137-L161 HydrophobicContact CG2-CD1 4.34Å; T137-L161 HydrophobicContact CG2-CD2 3.67Å; T145-L161 WeakPolarHBondContact O-CA 3.45Å; K146-L161 HydrophobicContact CB-CD2 3.94Å; K146-L161 HydrophobicContact CG-CD2 4Å; L161-I195 HydrophobicContact CB-CD1 4.12Å; L161-I195 HydrophobicContact CD1-CD1 3.84Å; L161-I195 HydrophobicContact CD1-CG2 4.44Å; L161-I195 HydrophobicContact CG-CD1 4.41Å; L161-V219 PolarHBondContact N-O 2.81Å; L161-V219 PolarHBondContact O-N 3.42Å
162	K	98.8	Very high	95.6	Very high	49 Å²	49	56.2 Å²	56.2	21%	0.213	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	123.8	166.5	-170.4	-170.9	-174.1	-152.5	0	108.2	L144 T145 I147 S164 D216 F217 Y218	L144-K162 VanDerWaalsContact CA-O 3.29Å; L144-K162 WeakPolarHBondContact CA-O 3.48Å; T145-K162 PolarHBondContact N-O 3.09Å; T145-K162 PolarHBondContact O-N 3.43Å; I147-K162 HydrophobicContact CD1-CB 4.04Å; K162-S164 WeakPolarHBondContact CE-OG 2.9Å; K162-S164 PolarHBondContact NZ-OG 2.94Å; K162-D216 VanDerWaalsContact CE-CG 3.47Å; K162-D216 WeakPolarHBondContact CE-OD2 3.43Å; K162-D216 IonicContact NZ-OD2 3.33Å; K162-D216 PolarHBondContact NZ-OD2 2.57Å; K162-F217 CarbonylContact C-O 3.51Å; K162-F217 VanDerWaalsContact CA-O 3.32Å; K162-F217 WeakPolarHBondContact CA-O 3.4Å; K162-Y218 HydrophobicContact CB-CD1 3.91Å; K162-Y218 HydrophobicContact CB-CE1 3.75Å; K162-Y218 HydrophobicContact CD-CE1 3.92Å; K162-Y218 HydrophobicContact CG-CD1 3.98Å; K162-Y218 HydrophobicContact CG-CE1 3.56Å
163	V	98.8	Very high	95.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	117.8	174.3	-169.2	0	0	0	0	108.3	L144 I195 I198 T199 L212 D216 F217 V219	L144-V163 HydrophobicContact CD2-CB 4.07Å; L144-V163 HydrophobicContact CD2-CG1 3.97Å; L144-V163 HydrophobicContact CD2-CG2 3.71Å; V163-I195 HydrophobicContact CG2-CG1 4.19Å; V163-I198 HydrophobicContact CG1-CG2 3.81Å; V163-T199 HydrophobicContact CG1-CG2 4.5Å; V163-L212 HydrophobicContact CG1-CD1 4.1Å; V163-L212 HydrophobicContact CG1-CD2 4.15Å; V163-D216 WeakPolarHBondContact O-CA 3.43Å; V163-F217 HydrophobicContact CB-CB 4.21Å; V163-F217 HydrophobicContact CG2-CB 4.47Å; V163-F217 PolarHBondContact N-O 3.12Å; V163-F217 PolarHBondContact O-N 2.85Å; V163-V219 HydrophobicContact CG2-CG2 4.06Å
164	S	97.9	Very high	95.5	Very high	16 Å²	16	52.5 Å²	52.5	11%	0.112	27%	0.271	C	S	.	.			trans	-130.3	148.9	-175.8	-74.3	0	0	0	0	111.5	M143 K162 D216	M143-S164 WeakPolarHBondContact CA-O 3.46Å; M143-S164 PolarHBondContact O-N 3.13Å; K162-S164 WeakPolarHBondContact CE-OG 2.9Å; K162-S164 PolarHBondContact NZ-OG 2.94Å; S164-D216 WeakPolarHBondContact CA-OD1 3.29Å; S164-D216 VanDerWaalsContact CB-OD1 3.28Å; S164-D216 WeakPolarHBondContact CB-OD1 2.93Å; S164-D216 PolarHBondContact OG-OD1 3.49Å; S164-D216 PolarHBondContact OG-OD2 2.76Å
165	G	95	Very high	95.6	Very high	5 Å²	5	48.2 Å²	48.2	5%	0.052	25%	0.251	C	S	.	.			trans	-71.2	165.2	163.7	0	0	0	0	0	111.3	E167 L212	G165-E167 PolarHBondContact O-N 2.85Å; G165-L212 PolarHBondContact N-O 3.24Å
166	K	90.9	Very high	95.6	Very high	123 Å²	123	41.1 Å²	41.1	54%	0.535	22%	0.22	S	C	.	.	S	Bend	trans	-71.2	-13.3	-176.5	-62.6	-171.4	-171.1	-145.9	0	114.2	D142 Q168 Y202	D142-K166 WeakPolarHBondContact OD2-CE 3.34Å; D142-K166 IonicContact OD2-NZ 2.83Å; D142-K166 PolarHBondContact OD2-NZ 2.8Å; K166-Q168 PolarHBondContact O-N 3.23Å; K166-Y202 HydrophobicContact CD-CE1 4.15Å; K166-Y202 HydrophobicContact CG-CE1 3.86Å; K166-Y202 PolarHBondContact N-OH 3.44Å; K166-Y202 VanDerWaalsContact N-OH 3.15Å
167	E	87.8	Confident	95.6	Very high	63 Å²	63	38.6 Å²	38.6	29%	0.294	21%	0.208	S	C	.	.			trans	-72.3	126.7	178.1	-49.5	90.1	168	0	0	111.2	G165 T169 K171 R213	G165-E167 PolarHBondContact O-N 2.85Å; E167-T169 PolarHBondContact O-N 2.93Å; E167-K171 PolarHBondContact O-NZ 2.84Å; E167-K171 IonicContact OE2-NZ 3.98Å; E167-K171 PolarHBondContact OE2-NZ 3.37Å; E167-R213 IonicContact OE1-NE 2.65Å
168	Q	81.8	Confident	95.6	Very high	203 Å²	203	37 Å²	37	95%	0.949	20%	0.198	S	C	*	.			trans	-85.8	57.3	178.2	-63.8	-173.8	2.2	0	0	111.9	K166	K166-Q168 PolarHBondContact O-N 3.23Å
169	T	87.1	Confident	95.6	Very high	89 Å²	89	37 Å²	37	55%	0.546	20%	0.198	S	C	.	.	S	Bend	trans	-111.9	151.4	174.5	55	0	0	0	0	110.5	E167 K171	E167-T169 PolarHBondContact O-N 2.93Å; T169-K171 PolarHBondContact O-N 2.9Å; T169-K171 WeakPolarHBondContact OG1-CE 3.42Å
170	A	88.7	Confident	95.6	Very high	108 Å²	108	34.8 Å²	34.8	89%	0.893	19%	0.189	S	C	*	.			trans	-65.1	124.7	171.1	0	0	0	0	0	109.2
171	K	94.1	Very high	95.6	Very high	21 Å²	21	35 Å²	35	9%	0.091	19%	0.191	C	C	.	.			trans	-122.3	153.9	-177.7	-66.6	169.7	-173.4	179.7	0	110	E167 T169 L212 R213	E167-K171 PolarHBondContact O-NZ 2.84Å; E167-K171 IonicContact OE2-NZ 3.98Å; E167-K171 PolarHBondContact OE2-NZ 3.37Å; T169-K171 PolarHBondContact O-N 2.9Å; T169-K171 WeakPolarHBondContact OG1-CE 3.42Å; K171-L212 PolarHBondContact NZ-O 3.29Å; K171-R213 WeakPolarHBondContact CE-O 3.41Å
172	N	97.6	Very high	95.6	Very high	49 Å²	49	35 Å²	35	26%	0.262	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	164.7	160.8	-75.8	-38.3	0	0	0	109.3	V215 D216 H302 K304	N172-V215 WeakPolarHBondContact O-CA 3.19Å; N172-V215 WeakPolarHBondContact O-CG2 3.44Å; N172-D216 PolarHBondContact O-N 3.06Å; N172-H302 CarbonylContact C-O 3.46Å; N172-H302 WeakPolarHBondContact CA-O 3.42Å; N172-K304 HydrophobicContact CB-CG 3.72Å; N172-K304 WeakPolarHBondContact OD1-CE 3.42Å
173	A	98.4	Very high	95.6	Very high	2 Å²	2	32.8 Å²	32.8	2%	0.017	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	154.5	179.8	0	0	0	0	0	111.9	D216 Y218 H302 I303 K304	A173-D216 CarbonylContact C-O 3.57Å; A173-D216 WeakPolarHBondContact CA-O 3.49Å; A173-D216 HydrophobicContact CB-CB 4.35Å; A173-Y218 HydrophobicContact CB-CD2 3.82Å; A173-Y218 HydrophobicContact CB-CE2 3.67Å; A173-H302 PolarHBondContact N-O 2.82Å; A173-I303 HydrophobicContact CB-CG1 4.4Å; A173-I303 CarbonylContact O-C 3.56Å; A173-I303 WeakPolarHBondContact O-CA 3.43Å; A173-K304 PolarHBondContact O-N 3.39Å
174	M	98.8	Very high	95.6	Very high	2 Å²	2	33 Å²	33	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	137.7	168	-62.9	179.4	-159.5	0	0	109.3	V215 D216 F217 Y218 A305 A416 V419 I420	M174-V215 HydrophobicContact CB-CG2 4.34Å; M174-V215 HydrophobicContact CE-CB 4.07Å; M174-V215 HydrophobicContact CE-CG1 4.03Å; M174-V215 HydrophobicContact CE-CG2 3.6Å; M174-V215 HydrophobicContact CG-CG2 3.64Å; M174-V215 HydrophobicContact SD-CG2 4.15Å; M174-D216 PolarHBondContact N-O 3.47Å; M174-F217 HydrophobicContact CB-CD1 3.85Å; M174-F217 HydrophobicContact CB-CE1 3.88Å; M174-F217 HydrophobicContact CG-CE1 4.42Å; M174-F217 CarbonylContact O-C 3.51Å; M174-F217 WeakPolarHBondContact O-CA 3.38Å; M174-F217 HydrophobicContact SD-CE1 3.93Å; M174-F217 HydrophobicContact SD-CZ 4.26Å; M174-Y218 PolarHBondContact O-N 3.33Å; M174-A305 HydrophobicContact CB-CB 4.34Å; M174-A305 HydrophobicContact CG-CB 3.9Å; M174-A305 HydrophobicContact SD-CB 4.3Å; M174-A416 HydrophobicContact CE-CB 3.75Å; M174-A416 WeakPolarHBondContact CE-O 3.34Å; M174-A416 VanDerWaalsContact SD-CA 3.54Å; M174-A416 HydrophobicContact SD-CB 3.43Å; M174-A416 WeakPolarHBondContact SD-CB 3.41Å; M174-V419 HydrophobicContact CE-CB 3.61Å; M174-V419 HydrophobicContact CE-CG1 3.69Å; M174-V419 HydrophobicContact CE-CG2 4.26Å; M174-I420 HydrophobicContact CE-CG1 4.11Å
175	W	98.9	Very high	95.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.6	176.2	175	-86	0	0	0	110.3	V160 D177 Y218 M220 V292 F295 L296 I303 A305 Y306 I307	V160-W175 HydrophobicContact CB-CZ3 4.5Å; V160-W175 HydrophobicContact CG1-CH2 4.48Å; V160-W175 HydrophobicContact CG1-CZ3 3.92Å; V160-W175 HydrophobicContact CG2-CH2 3.56Å; V160-W175 HydrophobicContact CG2-CZ3 3.72Å; W175-D177 HydrophobicContact CZ2-CB 4.03Å; W175-D177 PolarHBondContact NE1-OD2 3.01Å; W175-Y218 WeakPolarHBondContact CA-O 3.43Å; W175-M220 HydrophobicContact CH2-CB 3.91Å; W175-M220 HydrophobicContact CH2-SD 4.04Å; W175-M220 HydrophobicContact CZ2-CB 3.83Å; W175-M220 HydrophobicContact CZ2-SD 4.08Å; W175-V292 HydrophobicContact CH2-CG1 4.49Å; W175-V292 HydrophobicContact CZ2-CG1 3.87Å; W175-V292 HydrophobicContact CZ2-CG2 4.32Å; W175-F295 AromaticContact CE3-CD1 3.89Å; W175-F295 HydrophobicContact CE3-CD1 3.89Å; W175-F295 AromaticContact CE3-CE1 3.81Å; W175-F295 HydrophobicContact CE3-CE1 3.81Å; W175-F295 HydrophobicContact CH2-CD1 4.2Å; W175-F295 AromaticContact CZ3-CD1 3.35Å; W175-F295 HydrophobicContact CZ3-CD1 3.35Å; W175-F295 AromaticContact CZ3-CE1 3.48Å; W175-F295 HydrophobicContact CZ3-CE1 3.48Å; W175-F295 VanDerWaalsContact CZ3-CE1 3.48Å; W175-F295 HydrophobicContact CZ3-CG 4.3Å; W175-F295 HydrophobicContact CZ3-CZ 4.49Å; W175-L296 HydrophobicContact CB-CD2 3.93Å; W175-L296 HydrophobicContact CD2-CD2 3.59Å; W175-L296 HydrophobicContact CD2-CG 4.4Å; W175-L296 HydrophobicContact CE3-CD2 3.76Å; W175-L296 HydrophobicContact CG-CD2 3.66Å; W175-I303 HydrophobicContact CB-CG2 4.48Å; W175-A305 PolarHBondContact N-O 3.36Å; W175-Y306 HydrophobicContact CB-CD2 4.33Å; W175-Y306 AromaticContact CD1-CD2 3.21Å; W175-Y306 AromaticContact CD1-CE2 3.25Å; W175-Y306 AromaticContact CG-CD2 3.97Å; W175-Y306 HydrophobicContact CG-CD2 3.97Å; W175-Y306 HydrophobicContact CG-CE2 4.29Å; W175-Y306 AromaticContact NE1-CD2 3.86Å; W175-Y306 AromaticContact NE1-CE2 3.4Å; W175-I307 PolarHBondContact O-N 3.21Å
176	I	98.9	Very high	95.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	121.6	170.6	-54.9	177.6	0	0	0	107.7	F190 F194 F217 Y218 V219 M220 I307 M309 V412	I176-F190 HydrophobicContact CG2-CE1 4.12Å; I176-F194 HydrophobicContact CD1-CD2 4.5Å; I176-F194 HydrophobicContact CD1-CE1 4.23Å; I176-F194 HydrophobicContact CD1-CE2 4.14Å; I176-F194 HydrophobicContact CD1-CZ 3.99Å; I176-F217 HydrophobicContact CD1-CD1 3.7Å; I176-F217 HydrophobicContact CD1-CE1 4.1Å; I176-F217 HydrophobicContact CG1-CD1 4.22Å; I176-Y218 PolarHBondContact N-O 3.19Å; I176-V219 HydrophobicContact CB-CG1 4.5Å; I176-V219 HydrophobicContact CB-CG2 4.43Å; I176-V219 CarbonylContact O-C 3.5Å; I176-V219 VanDerWaalsContact O-CA 3.26Å; I176-V219 WeakPolarHBondContact O-CA 3.19Å; I176-M220 PolarHBondContact O-N 3.45Å; I176-I307 VanDerWaalsContact CA-O 3.28Å; I176-I307 WeakPolarHBondContact CA-O 3.44Å; I176-I307 HydrophobicContact CG1-CB 4.38Å; I176-M309 HydrophobicContact CG2-CG 3.9Å; I176-V412 HydrophobicContact CD1-CG1 3.75Å
177	D	98.9	Very high	96.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	151.7	169	61.2	68.4	0	0	0	112.5	W175 I180 M220 V223 Y306 I307 S308 M309	W175-D177 HydrophobicContact CZ2-CB 4.03Å; W175-D177 PolarHBondContact NE1-OD2 3.01Å; D177-I180 VanDerWaalsContact OD1-CD1 3.23Å; D177-I180 WeakPolarHBondContact OD1-CD1 3.19Å; D177-M220 HydrophobicContact CB-CB 4.16Å; D177-V223 HydrophobicContact CB-CG2 3.68Å; D177-Y306 WeakPolarHBondContact OD2-CE2 3.32Å; D177-Y306 PolarHBondContact OD2-OH 3.12Å; D177-I307 PolarHBondContact N-O 3.17Å; D177-S308 WeakPolarHBondContact OD1-CB 3.42Å; D177-S308 PolarHBondContact OD1-OG 2.65Å; D177-M309 WeakPolarHBondContact O-CB 3.49Å; D177-M309 WeakPolarHBondContact O-CG 3.25Å; D177-M309 PolarHBondContact O-N 3.23Å
178	C	99	Very high	96.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	159.7	178.8	-65.9	0	0	0	0	110.2	I180 S187 C191 M220 P221 V222 V223 M309	C178-I180 PolarHBondContact O-N 2.91Å; C178-S187 WeakPolarHBondContact CA-OG 3.28Å; C178-S187 WeakPolarHBondContact CB-O 3.48Å; C178-S187 VanDerWaalsContact CB-OG 3.25Å; C178-S187 WeakPolarHBondContact CB-OG 3.37Å; C178-S187 PolarHBondContact SG-O 2.96Å; C178-C191 HydrophobicContact CB-CB 3.73Å; C178-C191 WeakPolarHBondContact CB-SG 3.37Å; C178-C191 WeakPolarHBondContact SG-CB 3.46Å; C178-C191 CovalentContact SG-SG 2.03Å; C178-C191 PolarHBondContact SG-SG 3.25Å; C178-M220 PolarHBondContact N-O 2.91Å; C178-P221 CarbonylContact C-O 3.55Å; C178-P221 WeakPolarHBondContact CB-O 3.43Å; C178-V222 CarbonylContact O-C 3.51Å; C178-V222 WeakPolarHBondContact O-CA 3.49Å; C178-V223 WeakPolarHBondContact O-CG2 3.39Å; C178-V223 PolarHBondContact O-N 3.21Å; C178-M309 HydrophobicContact CB-CB 4.5Å
179	G	98.9	Very high	97.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.094	C	C	.	.			trans	64.2	36.9	173.4	0	0	0	0	0	114.3	S187 N224	G179-S187 PolarHBondContact N-OG 3.39Å; G179-N224 VanDerWaalsContact O-CB 3.22Å; G179-N224 WeakPolarHBondContact O-CB 3.47Å; G179-N224 PolarHBondContact O-N 3.48Å
180	I	98.9	Very high	98.1	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.005	7%	0.068	C	C	.	.	S	Bend	trans	-65.4	-42	167.6	-70.6	-173.2	0	0	0	110.4	D177 C178 V223 N224 L255 N256 S308	D177-I180 VanDerWaalsContact OD1-CD1 3.23Å; D177-I180 WeakPolarHBondContact OD1-CD1 3.19Å; C178-I180 PolarHBondContact O-N 2.91Å; I180-V223 HydrophobicContact CG1-CB 3.83Å; I180-V223 HydrophobicContact CG1-CG1 4.11Å; I180-V223 HydrophobicContact CG1-CG2 3.76Å; I180-N224 WeakPolarHBondContact O-CB 3.22Å; I180-N224 PolarHBondContact O-ND2 2.93Å; I180-L255 HydrophobicContact CG2-CB 3.83Å; I180-N256 HydrophobicContact CG2-CB 3.87Å; I180-S308 WeakPolarHBondContact CD1-OG 3.36Å
181	H	98.9	Very high	98.6	Very high	5 Å²	5	4.7 Å²	4.7	2%	0.023	3%	0.025	C	C	.	.	S	Bend	trans	-102.2	130.8	172.3	-52.4	134.1	0	0	0	110.9	R183 E184 R239 D254 N256 H310	H181-R183 PolarHBondContact O-N 3.44Å; H181-E184 VanDerWaalsContact CB-CD 3.49Å; H181-E184 HydrophobicContact CB-CG 4.04Å; H181-E184 VanDerWaalsContact CB-OE1 3.24Å; H181-E184 WeakPolarHBondContact CB-OE1 3.47Å; H181-E184 IonicContact CE1-OE1 2.67Å; H181-E184 IonicContact CG-OE1 3.01Å; H181-E184 VanDerWaalsContact CG-OE1 3.31Å; H181-E184 IonicContact CG-OE2 3.65Å; H181-E184 VanDerWaalsContact ND1-CD 3.34Å; H181-E184 IonicContact ND1-OE1 3.98Å; H181-E184 PolarHBondContact ND1-OE1 2.96Å; H181-E184 IonicContact ND1-OE2 2.72Å; H181-E184 PolarHBondContact ND1-OE2 3.38Å; H181-E184 PolarHBondContact O-N 2.88Å; H181-R239 WeakPolarHBondContact CA-O 3.01Å; H181-R239 HydrophobicContact CB-CG 3.98Å; H181-R239 PolarHBondContact CD2-NH2 2.92Å; H181-R239 PolarHBondContact CE1-NH1 3.42Å; H181-R239 PolarHBondContact CE1-NH2 2.86Å; H181-R239 PolarHBondContact ND1-NH1 2.7Å; H181-R239 PolarHBondContact NE2-NH1 2.88Å; H181-R239 PolarHBondContact NE2-NH2 3.03Å; H181-D254 IonicContact CD2-OD1 3.31Å; H181-D254 IonicContact NE2-OD1 2.7Å; H181-D254 PolarHBondContact NE2-OD1 3.48Å; H181-N256 WeakPolarHBondContact NE2-CB 3.01Å; H181-H310 AromaticContact CE1-CE1 3.11Å; H181-H310 PolarHBondContact CE1-CE1 3.28Å; H181-H310 AromaticContact CE1-ND1 3.32Å; H181-H310 PolarHBondContact CE1-ND1 3.1Å; H181-H310 VanDerWaalsContact CE1-ND1 3.32Å; H181-H310 AromaticContact ND1-CE1 3.31Å; H181-H310 PolarHBondContact ND1-CE1 2.96Å; H181-H310 VanDerWaalsContact ND1-CE1 3.31Å; H181-H310 AromaticContact ND1-ND1 3.11Å; H181-H310 PolarHBondContact ND1-ND1 2.68Å; H181-H310 VanDerWaalsContact ND1-ND1 3.11Å; H181-H310 AromaticContact NE2-CE1 3.83Å
182	A	98.9	Very high	98.8	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-41.8	-168.3	0	0	0	0	0	114.9	E184 W185 G227 S231 W238 R239	A182-E184 VanDerWaalsContact C-N 3.26Å; A182-E184 PolarHBondContact O-N 2.93Å; A182-W185 PolarHBondContact O-NE1 2.79Å; A182-G227 WeakPolarHBondContact CB-O 3.46Å; A182-S231 PolarHBondContact O-OG 2.89Å; A182-W238 VanDerWaalsContact CB-O 3.3Å; A182-W238 WeakPolarHBondContact CB-O 3.04Å; A182-R239 PolarHBondContact N-O 3.34Å
183	R	98.8	Very high	98.9	Very high	2 Å²	2	2.2 Å²	2.2	1%	0.008	1%	0.012	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-8.9	-177.8	63.7	-163.2	-172.1	-178.5	5.9	115.6	L53 H181 W185 R236 M237 W238 F394	L53-R183 PolarHBondContact O-NH1 3.39Å; L53-R183 PolarHBondContact O-NH2 2.63Å; L53-R183 VanDerWaalsContact O-NH2 3.11Å; H181-R183 PolarHBondContact O-N 3.44Å; R183-W185 VanDerWaalsContact C-N 3.3Å; R183-W185 PolarHBondContact O-N 3.14Å; R183-W185 VanDerWaalsContact O-N 3.1Å; R183-R236 WeakPolarHBondContact CB-O 3.32Å; R183-R236 PolarHBondContact O-NH1 3.16Å; R183-M237 WeakPolarHBondContact CD-O 3.31Å; R183-M237 PolarHBondContact NH1-O 3.31Å; R183-M237 VanDerWaalsContact NH1-O 3.17Å; R183-W238 VanDerWaalsContact CB-O 3.28Å; R183-W238 WeakPolarHBondContact CB-O 3.22Å; R183-W238 PolarHBondContact N-O 3.11Å; R183-F394 HydrophobicContact CB-CB 4.5Å; R183-F394 HydrophobicContact CB-CG 4.42Å; R183-F394 HydrophobicContact CG-CD1 3.95Å; R183-F394 HydrophobicContact CG-CD2 4.13Å; R183-F394 HydrophobicContact CG-CE1 4.14Å; R183-F394 HydrophobicContact CG-CE2 4.34Å; R183-F394 HydrophobicContact CG-CG 3.96Å; R183-F394 HydrophobicContact CG-CZ 4.38Å; R183-F394 VanDerWaalsContact NE-CE2 3.25Å
184	E	98.9	Very high	98.9	Very high	4 Å²	4	2.2 Å²	2.2	2%	0.019	1%	0.011	C	C	.	.			trans	-88.9	57.7	-172.4	-64.5	173.6	-159.7	0	0	111.4	H181 A182 I186 S187 P188 R239 H310 S311 F394	H181-E184 VanDerWaalsContact CB-CD 3.49Å; H181-E184 HydrophobicContact CB-CG 4.04Å; H181-E184 VanDerWaalsContact CB-OE1 3.24Å; H181-E184 WeakPolarHBondContact CB-OE1 3.47Å; H181-E184 IonicContact CE1-OE1 2.67Å; H181-E184 IonicContact CG-OE1 3.01Å; H181-E184 VanDerWaalsContact CG-OE1 3.31Å; H181-E184 IonicContact CG-OE2 3.65Å; H181-E184 VanDerWaalsContact ND1-CD 3.34Å; H181-E184 IonicContact ND1-OE1 3.98Å; H181-E184 PolarHBondContact ND1-OE1 2.96Å; H181-E184 IonicContact ND1-OE2 2.72Å; H181-E184 PolarHBondContact ND1-OE2 3.38Å; H181-E184 PolarHBondContact O-N 2.88Å; A182-E184 VanDerWaalsContact C-N 3.26Å; A182-E184 PolarHBondContact O-N 2.93Å; E184-I186 PolarHBondContact O-N 2.86Å; E184-S187 VanDerWaalsContact O-CB 3.3Å; E184-S187 WeakPolarHBondContact O-CB 3.49Å; E184-S187 PolarHBondContact O-N 2.82Å; E184-P188 VanDerWaalsContact O-CD 3.24Å; E184-P188 WeakPolarHBondContact O-CD 3.32Å; E184-R239 IonicContact OE1-NH1 3.47Å; E184-H310 VanDerWaalsContact OE2-CA 3.25Å; E184-H310 WeakPolarHBondContact OE2-CA 3.4Å; E184-H310 WeakPolarHBondContact OE2-CB 3.45Å; E184-H310 IonicContact OE2-CE1 2.68Å; E184-H310 IonicContact OE2-CG 3.25Å; E184-H310 IonicContact OE2-ND1 2.78Å; E184-H310 PolarHBondContact OE2-ND1 2.03Å; E184-S311 VanDerWaalsContact CG-O 3.23Å; E184-S311 WeakPolarHBondContact CG-O 3.26Å; E184-S311 VanDerWaalsContact OE1-O 3.12Å; E184-S311 PolarHBondContact OE2-N 3.06Å; E184-F394 HydrophobicContact CG-CD1 3.89Å; E184-F394 HydrophobicContact CG-CE1 3.78Å
185	W	98.9	Very high	98.9	Very high	1 Å²	1	2.1 Å²	2.1	0%	0.004	1%	0.011	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-25	-168	-69	3.5	0	0	0	115.4	Q105 I106 Y123 A182 R183 S187 P188 A189 Y228 S231 W232 R236	Q105-W185 HydrophobicContact CB-CE3 4.18Å; Q105-W185 HydrophobicContact CB-CZ3 3.69Å; I106-W185 HydrophobicContact CG2-CH2 3.55Å; I106-W185 HydrophobicContact CG2-CZ3 3.88Å; Y123-W185 HydrophobicContact CD1-CB 3.67Å; Y123-W185 HydrophobicContact CD2-CE3 4.16Å; Y123-W185 HydrophobicContact CE1-CB 3.72Å; Y123-W185 HydrophobicContact CG-CB 4.3Å; Y123-W185 HydrophobicContact CG-CE3 4.02Å; A182-W185 PolarHBondContact O-NE1 2.79Å; R183-W185 VanDerWaalsContact C-N 3.3Å; R183-W185 PolarHBondContact O-N 3.14Å; R183-W185 VanDerWaalsContact O-N 3.1Å; W185-S187 PolarHBondContact O-N 3.23Å; W185-P188 WeakPolarHBondContact O-CD 3.44Å; W185-A189 PolarHBondContact O-N 2.87Å; W185-Y228 AromaticContact CD1-CD2 4Å; W185-Y228 AromaticContact CD1-CE2 3.53Å; W185-Y228 HydrophobicContact CG-CE2 4.09Å; W185-Y228 AromaticContact NE1-CE2 3.88Å; W185-S231 PolarHBondContact NE1-OG 3.28Å; W185-W232 AromaticContact CD2-NE1 3.93Å; W185-W232 AromaticContact CE2-CD1 3.74Å; W185-W232 AromaticContact CE2-NE1 3.51Å; W185-W232 HydrophobicContact CE3-CZ2 4.23Å; W185-W232 AromaticContact CH2-CD2 3.92Å; W185-W232 HydrophobicContact CH2-CD2 3.92Å; W185-W232 AromaticContact CH2-CE2 3.81Å; W185-W232 HydrophobicContact CH2-CE3 4.45Å; W185-W232 HydrophobicContact CH2-CG 4.13Å; W185-W232 HydrophobicContact CH2-CZ2 4.27Å; W185-W232 AromaticContact CH2-NE1 3.95Å; W185-W232 HydrophobicContact CZ2-CB 4.5Å; W185-W232 AromaticContact CZ2-CD1 3.48Å; W185-W232 VanDerWaalsContact CZ2-CD1 3.48Å; W185-W232 HydrophobicContact CZ2-CD2 4.04Å; W185-W232 AromaticContact CZ2-CE2 3.89Å; W185-W232 AromaticContact CZ2-CG 3.8Å; W185-W232 HydrophobicContact CZ2-CG 3.8Å; W185-W232 AromaticContact CZ2-NE1 3.53Å; W185-W232 HydrophobicContact CZ3-CD2 4.49Å; W185-W232 HydrophobicContact CZ3-CZ2 4.02Å; W185-W232 AromaticContact NE1-CD1 3.98Å; W185-W232 AromaticContact NE1-NE1 3.9Å; W185-R236 VanDerWaalsContact CD2-CZ 3.44Å; W185-R236 VanDerWaalsContact CD2-NH2 3.3Å; W185-R236 VanDerWaalsContact CE2-CZ 3.47Å; W185-R236 VanDerWaalsContact CE2-NE 3.3Å; W185-R236 VanDerWaalsContact CH2-CD 3.49Å
186	I	98.9	Very high	98.9	Very high	2 Å²	2	2.2 Å²	2.2	1%	0.01	1%	0.012	C	C	.	.	H	α-helix	trans	-66.4	-23.4	175	-170.6	57.6	0	0	0	113	Y123 E184 A189 F190 S311 L386 L396 I401 T404	Y123-I186 HydrophobicContact CE1-CB 4.47Å; E184-I186 PolarHBondContact O-N 2.86Å; I186-A189 HydrophobicContact CD1-CB 4.39Å; I186-F190 PolarHBondContact O-N 2.8Å; I186-S311 VanDerWaalsContact CG2-CB 3.41Å; I186-S311 WeakPolarHBondContact CG2-OG 3.22Å; I186-L386 HydrophobicContact CG1-CD1 4.17Å; I186-L386 HydrophobicContact CG2-CB 4.06Å; I186-L386 HydrophobicContact CG2-CD1 4.19Å; I186-L396 HydrophobicContact CB-CD2 4.18Å; I186-L396 HydrophobicContact CD1-CD2 4.06Å; I186-L396 HydrophobicContact CG1-CD2 3.83Å; I186-I401 HydrophobicContact CD1-CB 4.27Å; I186-I401 HydrophobicContact CD1-CG1 3.93Å; I186-I401 HydrophobicContact CD1-CG2 4.37Å; I186-T404 HydrophobicContact CD1-CG2 4.04Å; I186-T404 HydrophobicContact CG1-CG2 3.68Å
187	S	98.9	Very high	98.9	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-67.6	-58.4	176.2	165.4	0	0	0	0	111.2	C178 G179 E184 W185 A189 F190 C191 M309	C178-S187 WeakPolarHBondContact CA-OG 3.28Å; C178-S187 WeakPolarHBondContact CB-O 3.48Å; C178-S187 VanDerWaalsContact CB-OG 3.25Å; C178-S187 WeakPolarHBondContact CB-OG 3.37Å; C178-S187 PolarHBondContact SG-O 2.96Å; G179-S187 PolarHBondContact N-OG 3.39Å; E184-S187 VanDerWaalsContact O-CB 3.3Å; E184-S187 WeakPolarHBondContact O-CB 3.49Å; E184-S187 PolarHBondContact O-N 2.82Å; W185-S187 PolarHBondContact O-N 3.23Å; S187-A189 VanDerWaalsContact C-N 3.29Å; S187-A189 PolarHBondContact O-N 3.43Å; S187-F190 WeakPolarHBondContact O-CB 3.29Å; S187-F190 PolarHBondContact O-N 2.03Å; S187-C191 PolarHBondContact O-N 3.49Å; S187-M309 VanDerWaalsContact CB-O 3.29Å; S187-M309 WeakPolarHBondContact CB-O 3.01Å; S187-M309 PolarHBondContact OG-O 3.45Å
188	P	98.9	Very high	98.8	Very high	1 Å²	1	3.8 Å²	3.8	1%	0.006	2%	0.019	C	C	.	.	H	α-helix	trans	-54.3	-41.3	171.8	-31.3	38.3	0	0	0	114.2	I129 E184 W185 F190 C191 L192 P221 V222 Y228	I129-P188 HydrophobicContact CD1-CB 4.43Å; E184-P188 VanDerWaalsContact O-CD 3.24Å; E184-P188 WeakPolarHBondContact O-CD 3.32Å; W185-P188 WeakPolarHBondContact O-CD 3.44Å; P188-F190 VanDerWaalsContact C-N 3.27Å; P188-F190 PolarHBondContact O-N 3.44Å; P188-C191 PolarHBondContact O-N 3Å; P188-C191 VanDerWaalsContact O-N 3.12Å; P188-L192 WeakPolarHBondContact O-CD1 3.14Å; P188-L192 PolarHBondContact O-N 2.85Å; P188-P221 WeakPolarHBondContact CA-O 3.36Å; P188-V222 HydrophobicContact CB-CG2 3.99Å; P188-V222 HydrophobicContact CG-CG2 4.1Å; P188-Y228 HydrophobicContact CB-CE2 4.29Å; P188-Y228 HydrophobicContact CG-CD2 4.18Å; P188-Y228 HydrophobicContact CG-CE2 3.81Å
189	A	98.9	Very high	98.8	Very high	9 Å²	9	4 Å²	4	7%	0.074	2%	0.02	C	C	.	.	H	α-helix	trans	-58.3	-38.9	176.5	0	0	0	0	0	112.1	Y123 W185 I186 S187 W193 I401	Y123-A189 HydrophobicContact CD1-CB 4.13Å; Y123-A189 HydrophobicContact CE1-CB 4.14Å; W185-A189 PolarHBondContact O-N 2.87Å; I186-A189 HydrophobicContact CD1-CB 4.39Å; S187-A189 VanDerWaalsContact C-N 3.29Å; S187-A189 PolarHBondContact O-N 3.43Å; A189-W193 VanDerWaalsContact O-CB 3.3Å; A189-W193 WeakPolarHBondContact O-CB 3.24Å; A189-W193 PolarHBondContact O-N 3.44Å; A189-I401 HydrophobicContact CB-CG2 4.2Å
190	F	98.9	Very high	98.7	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-63.8	-45.8	173.2	165	-100.5	0	0	0	112.5	I176 I186 S187 P188 L192 W193 F194 M309 L386 C405 A408 F409 V412	I176-F190 HydrophobicContact CG2-CE1 4.12Å; I186-F190 PolarHBondContact O-N 2.8Å; S187-F190 WeakPolarHBondContact O-CB 3.29Å; S187-F190 PolarHBondContact O-N 2.03Å; P188-F190 VanDerWaalsContact C-N 3.27Å; P188-F190 PolarHBondContact O-N 3.44Å; F190-L192 VanDerWaalsContact C-N 3.33Å; F190-L192 PolarHBondContact O-N 3.36Å; F190-W193 CarbonylContact O-C 3.58Å; F190-W193 PolarHBondContact O-N 2.77Å; F190-F194 HydrophobicContact CE1-CB 4.49Å; F190-F194 HydrophobicContact CE2-CB 4.22Å; F190-F194 HydrophobicContact CE2-CD2 4.49Å; F190-F194 HydrophobicContact CZ-CB 4.09Å; F190-F194 HydrophobicContact CZ-CD2 4.05Å; F190-F194 HydrophobicContact CZ-CG 4.39Å; F190-F194 WeakPolarHBondContact O-CB 3.24Å; F190-F194 PolarHBondContact O-N 3.14Å; F190-M309 HydrophobicContact CD1-CB 4.31Å; F190-M309 HydrophobicContact CD1-CE 3.63Å; F190-M309 HydrophobicContact CD1-CG 3.63Å; F190-M309 HydrophobicContact CD1-SD 4.04Å; F190-M309 HydrophobicContact CE1-CE 3.68Å; F190-M309 HydrophobicContact CE1-CG 3.69Å; F190-M309 HydrophobicContact CE1-SD 3.71Å; F190-M309 HydrophobicContact CG-CE 4.15Å; F190-M309 HydrophobicContact CZ-CE 4.26Å; F190-L386 HydrophobicContact CB-CD1 4.19Å; F190-C405 HydrophobicContact CD2-CB 4.39Å; F190-A408 HydrophobicContact CD2-CB 3.47Å; F190-A408 VanDerWaalsContact CD2-CB 3.47Å; F190-A408 HydrophobicContact CE2-CB 3.47Å; F190-A408 VanDerWaalsContact CE2-CB 3.47Å; F190-A408 HydrophobicContact CG-CB 4.17Å; F190-A408 HydrophobicContact CZ-CB 4.18Å; F190-F409 HydrophobicContact CE2-CB 4.48Å; F190-V412 HydrophobicContact CE1-CG2 4.44Å; F190-V412 HydrophobicContact CZ-CG2 3.85Å
191	C	98.9	Very high	98.7	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-61.6	-41.3	179.4	-88.1	0	0	0	0	112.2	C178 S187 P188 F194 I195 V219 P221	C178-C191 HydrophobicContact CB-CB 3.73Å; C178-C191 WeakPolarHBondContact CB-SG 3.37Å; C178-C191 WeakPolarHBondContact SG-CB 3.46Å; C178-C191 CovalentContact SG-SG 2.03Å; C178-C191 PolarHBondContact SG-SG 3.25Å; S187-C191 PolarHBondContact O-N 3.49Å; P188-C191 PolarHBondContact O-N 3Å; P188-C191 VanDerWaalsContact O-N 3.12Å; C191-F194 PolarHBondContact O-N 2.87Å; C191-I195 WeakPolarHBondContact O-CD1 3.42Å; C191-I195 WeakPolarHBondContact O-CG1 3.5Å; C191-I195 PolarHBondContact O-N 2.96Å; C191-I195 VanDerWaalsContact O-N 3.14Å; C191-V219 HydrophobicContact CB-CG1 3.9Å; C191-V219 VanDerWaalsContact SG-CG1 3.53Å; C191-P221 HydrophobicContact CB-CB 4.22Å
192	L	98.9	Very high	98.6	Very high	3 Å²	3	13.3 Å²	13.3	2%	0.016	6%	0.06	C	C	.	.	H	α-helix	trans	-59.7	-48.9	172.6	-94.4	63.5	0	0	0	111.1	Y119 Y120 I129 W132 P188 F190 F194 I195 G196 P221	Y119-L192 HydrophobicContact CE1-CD2 4.16Å; Y120-L192 HydrophobicContact CD1-CB 4.18Å; Y120-L192 HydrophobicContact CE1-CB 4.37Å; Y120-L192 VanDerWaalsContact CE1-O 3.28Å; Y120-L192 WeakPolarHBondContact CE1-O 3.44Å; I129-L192 HydrophobicContact CG1-CD1 4.34Å; I129-L192 HydrophobicContact CG1-CD2 4.05Å; I129-L192 HydrophobicContact CG2-CD1 4.15Å; W132-L192 HydrophobicContact CD2-CD2 4.37Å; W132-L192 HydrophobicContact CD2-CG 4.03Å; W132-L192 HydrophobicContact CE3-CD1 4.08Å; W132-L192 HydrophobicContact CE3-CD2 4.37Å; W132-L192 HydrophobicContact CE3-CG 3.78Å; W132-L192 HydrophobicContact CH2-CB 4.41Å; W132-L192 HydrophobicContact CH2-CD1 4.36Å; W132-L192 HydrophobicContact CH2-CG 3.97Å; W132-L192 HydrophobicContact CZ2-CB 4.44Å; W132-L192 HydrophobicContact CZ2-CG 4.18Å; W132-L192 HydrophobicContact CZ3-CD1 3.85Å; W132-L192 HydrophobicContact CZ3-CG 3.77Å; P188-L192 WeakPolarHBondContact O-CD1 3.14Å; P188-L192 PolarHBondContact O-N 2.85Å; F190-L192 VanDerWaalsContact C-N 3.33Å; F190-L192 PolarHBondContact O-N 3.36Å; L192-F194 PolarHBondContact O-N 3.49Å; L192-I195 PolarHBondContact O-N 3.08Å; L192-G196 PolarHBondContact O-N 2.71Å; L192-P221 HydrophobicContact CD1-CB 3.81Å; L192-P221 HydrophobicContact CD1-CG 4.5Å
193	W	98.9	Very high	98.5	Very high	15 Å²	15	16.1 Å²	16.1	6%	0.057	9%	0.089	C	C	.	.	H	α-helix	trans	-60.7	-44.4	178.9	-164.3	103.6	0	0	0	111.7	A189 F190 I195 H197 C405 K406 F409	A189-W193 VanDerWaalsContact O-CB 3.3Å; A189-W193 WeakPolarHBondContact O-CB 3.24Å; A189-W193 PolarHBondContact O-N 3.44Å; F190-W193 CarbonylContact O-C 3.58Å; F190-W193 PolarHBondContact O-N 2.77Å; W193-I195 PolarHBondContact O-N 3.47Å; W193-H197 HydrophobicContact CD2-CB 4.08Å; W193-H197 HydrophobicContact CE3-CB 3.68Å; W193-H197 HydrophobicContact CH2-CB 3.92Å; W193-H197 AromaticContact CH2-CD2 3.28Å; W193-H197 WeakPolarHBondContact CH2-CD2 3.43Å; W193-H197 AromaticContact CH2-CE1 3.55Å; W193-H197 AromaticContact CH2-CG 3.28Å; W193-H197 AromaticContact CH2-ND1 3.43Å; W193-H197 WeakPolarHBondContact CH2-ND1 3.16Å; W193-H197 AromaticContact CH2-NE2 3.46Å; W193-H197 WeakPolarHBondContact CH2-NE2 2.94Å; W193-H197 HydrophobicContact CZ2-CB 4.3Å; W193-H197 AromaticContact CZ2-CE1 3.71Å; W193-H197 AromaticContact CZ2-CG 3.73Å; W193-H197 AromaticContact CZ2-ND1 3.45Å; W193-H197 WeakPolarHBondContact CZ2-ND1 3.36Å; W193-H197 HydrophobicContact CZ3-CB 3.58Å; W193-H197 AromaticContact CZ3-CD2 3.49Å; W193-H197 VanDerWaalsContact CZ3-CD2 3.49Å; W193-H197 WeakPolarHBondContact CZ3-CD2 3.26Å; W193-H197 AromaticContact CZ3-CG 3.44Å; W193-H197 VanDerWaalsContact CZ3-CG 3.44Å; W193-H197 WeakPolarHBondContact O-CB 3.44Å; W193-H197 PolarHBondContact O-N 3.4Å; W193-C405 HydrophobicContact CB-CB 3.82Å; W193-C405 HydrophobicContact CD2-CB 3.52Å; W193-C405 HydrophobicContact CE3-CB 3.99Å; W193-C405 HydrophobicContact CG-CB 3.41Å; W193-C405 VanDerWaalsContact CG-CB 3.41Å; W193-K406 HydrophobicContact CH2-CG 3.99Å; W193-K406 HydrophobicContact CZ2-CG 3.89Å; W193-F409 HydrophobicContact CE3-CD2 4.28Å; W193-F409 HydrophobicContact CZ3-CB 3.89Å; W193-F409 AromaticContact CZ3-CD2 3.74Å; W193-F409 HydrophobicContact CZ3-CD2 3.74Å; W193-F409 AromaticContact CZ3-CG 3.91Å; W193-F409 HydrophobicContact CZ3-CG 3.91Å
194	F	98.9	Very high	98.4	Very high	1 Å²	1	21.9 Å²	21.9	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-57.3	-52.4	178.8	176.6	-89	0	0	0	111	I176 F190 C191 L192 I198 F217 V219 F409 V412	I176-F194 HydrophobicContact CD1-CD2 4.5Å; I176-F194 HydrophobicContact CD1-CE1 4.23Å; I176-F194 HydrophobicContact CD1-CE2 4.14Å; I176-F194 HydrophobicContact CD1-CZ 3.99Å; F190-F194 HydrophobicContact CE1-CB 4.49Å; F190-F194 HydrophobicContact CE2-CB 4.22Å; F190-F194 HydrophobicContact CE2-CD2 4.49Å; F190-F194 HydrophobicContact CZ-CB 4.09Å; F190-F194 HydrophobicContact CZ-CD2 4.05Å; F190-F194 HydrophobicContact CZ-CG 4.39Å; F190-F194 WeakPolarHBondContact O-CB 3.24Å; F190-F194 PolarHBondContact O-N 3.14Å; C191-F194 PolarHBondContact O-N 2.87Å; L192-F194 PolarHBondContact O-N 3.49Å; F194-I198 HydrophobicContact CE1-CG2 4.38Å; F194-I198 HydrophobicContact CZ-CD1 4.12Å; F194-I198 WeakPolarHBondContact O-CB 3.41Å; F194-I198 VanDerWaalsContact O-CG2 3.22Å; F194-I198 WeakPolarHBondContact O-CG2 3.23Å; F194-I198 PolarHBondContact O-N 3.19Å; F194-F217 HydrophobicContact CE1-CB 4.18Å; F194-F217 HydrophobicContact CE1-CD1 4.33Å; F194-F217 HydrophobicContact CE1-CD2 4.36Å; F194-F217 HydrophobicContact CE1-CG 4.03Å; F194-F217 HydrophobicContact CZ-CB 4.46Å; F194-F217 AromaticContact CZ-CD1 3.85Å; F194-F217 HydrophobicContact CZ-CD1 3.85Å; F194-F217 AromaticContact CZ-CD2 3.96Å; F194-F217 HydrophobicContact CZ-CD2 3.96Å; F194-F217 HydrophobicContact CZ-CE1 4.03Å; F194-F217 HydrophobicContact CZ-CE2 4.13Å; F194-F217 AromaticContact CZ-CG 3.82Å; F194-F217 HydrophobicContact CZ-CG 3.82Å; F194-F217 HydrophobicContact CZ-CZ 4.17Å; F194-V219 HydrophobicContact CD1-CG2 3.92Å; F194-V219 HydrophobicContact CE1-CG2 3.83Å; F194-F409 AromaticContact CD2-CD2 3.55Å; F194-F409 HydrophobicContact CD2-CD2 3.55Å; F194-F409 AromaticContact CD2-CE2 3.65Å; F194-F409 HydrophobicContact CD2-CE2 3.65Å; F194-F409 HydrophobicContact CE2-CD2 4.06Å; F194-F409 AromaticContact CE2-CE2 3.79Å; F194-F409 HydrophobicContact CE2-CE2 3.79Å; F194-F409 HydrophobicContact CG-CD2 4.46Å; F194-F409 HydrophobicContact CG-CE2 4.49Å; F194-V412 HydrophobicContact CE2-CG1 3.93Å
195	I	98.9	Very high	98.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.8	-54.3	-178.8	-65.5	164.5	0	0	0	109.9	W132 I136 L144 L161 V163 C191 L192 W193 H197 I198 T199 V219 P221	W132-I195 HydrophobicContact CH2-CB 3.81Å; W132-I195 HydrophobicContact CH2-CD1 3.77Å; W132-I195 HydrophobicContact CH2-CG1 4.41Å; W132-I195 HydrophobicContact CH2-CG2 3.79Å; W132-I195 HydrophobicContact CZ2-CB 4.17Å; W132-I195 HydrophobicContact CZ2-CG2 4.04Å; W132-I195 HydrophobicContact CZ3-CD1 4.35Å; I136-I195 HydrophobicContact CG1-CG2 4.44Å; L144-I195 HydrophobicContact CD1-CG2 3.88Å; L144-I195 HydrophobicContact CD2-CG2 4.07Å; L161-I195 HydrophobicContact CB-CD1 4.12Å; L161-I195 HydrophobicContact CD1-CD1 3.84Å; L161-I195 HydrophobicContact CD1-CG2 4.44Å; L161-I195 HydrophobicContact CG-CD1 4.41Å; V163-I195 HydrophobicContact CG2-CG1 4.19Å; C191-I195 WeakPolarHBondContact O-CD1 3.42Å; C191-I195 WeakPolarHBondContact O-CG1 3.5Å; C191-I195 PolarHBondContact O-N 2.96Å; C191-I195 VanDerWaalsContact O-N 3.14Å; L192-I195 PolarHBondContact O-N 3.08Å; W193-I195 PolarHBondContact O-N 3.47Å; I195-H197 VanDerWaalsContact C-N 3.31Å; I195-H197 PolarHBondContact O-N 3.19Å; I195-I198 PolarHBondContact O-N 2.93Å; I195-T199 WeakPolarHBondContact O-CG2 3.45Å; I195-T199 PolarHBondContact O-N 3.22Å; I195-T199 VanDerWaalsContact O-N 3.08Å; I195-T199 PolarHBondContact O-OG1 3.42Å; I195-V219 HydrophobicContact CD1-CB 3.85Å; I195-V219 HydrophobicContact CD1-CG1 3.66Å; I195-V219 HydrophobicContact CG1-CB 4.08Å; I195-V219 HydrophobicContact CG1-CG1 3.98Å; I195-V219 HydrophobicContact CG1-CG2 4.25Å; I195-P221 HydrophobicContact CD1-CG 4.31Å
196	G	98.4	Very high	98.2	Very high	2 Å²	2	26 Å²	26	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-59.8	-41.9	-177.7	0	0	0	0	0	112.8	Y120 L192 T199 E200	Y120-G196 WeakPolarHBondContact OH-CA 3.42Å; L192-G196 PolarHBondContact O-N 2.71Å; G196-T199 PolarHBondContact O-OG1 2.93Å; G196-E200 WeakPolarHBondContact O-CB 3.36Å; G196-E200 PolarHBondContact O-N 3.05Å
197	H	98	Very high	98	Very high	34 Å²	34	32.5 Å²	32.5	16%	0.157	18%	0.181	C	C	.	.	H	α-helix	trans	-72.3	-43.9	-178.3	-161.5	80.3	0	0	0	112.1	W193 I195 T199 Y201 Y208	W193-H197 HydrophobicContact CD2-CB 4.08Å; W193-H197 HydrophobicContact CE3-CB 3.68Å; W193-H197 HydrophobicContact CH2-CB 3.92Å; W193-H197 AromaticContact CH2-CD2 3.28Å; W193-H197 WeakPolarHBondContact CH2-CD2 3.43Å; W193-H197 AromaticContact CH2-CE1 3.55Å; W193-H197 AromaticContact CH2-CG 3.28Å; W193-H197 AromaticContact CH2-ND1 3.43Å; W193-H197 WeakPolarHBondContact CH2-ND1 3.16Å; W193-H197 AromaticContact CH2-NE2 3.46Å; W193-H197 WeakPolarHBondContact CH2-NE2 2.94Å; W193-H197 HydrophobicContact CZ2-CB 4.3Å; W193-H197 AromaticContact CZ2-CE1 3.71Å; W193-H197 AromaticContact CZ2-CG 3.73Å; W193-H197 AromaticContact CZ2-ND1 3.45Å; W193-H197 WeakPolarHBondContact CZ2-ND1 3.36Å; W193-H197 HydrophobicContact CZ3-CB 3.58Å; W193-H197 AromaticContact CZ3-CD2 3.49Å; W193-H197 VanDerWaalsContact CZ3-CD2 3.49Å; W193-H197 WeakPolarHBondContact CZ3-CD2 3.26Å; W193-H197 AromaticContact CZ3-CG 3.44Å; W193-H197 VanDerWaalsContact CZ3-CG 3.44Å; W193-H197 WeakPolarHBondContact O-CB 3.44Å; W193-H197 PolarHBondContact O-N 3.4Å; I195-H197 VanDerWaalsContact C-N 3.31Å; I195-H197 PolarHBondContact O-N 3.19Å; H197-T199 VanDerWaalsContact C-N 3.34Å; H197-T199 PolarHBondContact O-N 3.39Å; H197-Y201 AromaticContact CE1-CD2 3.48Å; H197-Y201 VanDerWaalsContact CE1-CD2 3.48Å; H197-Y201 WeakPolarHBondContact CE1-CD2 3.25Å; H197-Y201 AromaticContact CE1-CE2 3.27Å; H197-Y201 WeakPolarHBondContact CE1-CE2 3.38Å; H197-Y201 AromaticContact CG-CD2 3.92Å; H197-Y201 AromaticContact ND1-CD2 3.61Å; H197-Y201 AromaticContact ND1-CE2 3.42Å; H197-Y201 WeakPolarHBondContact ND1-CE2 3.43Å; H197-Y201 AromaticContact NE2-CD2 3.75Å; H197-Y201 AromaticContact NE2-CE2 3.99Å; H197-Y201 VanDerWaalsContact O-CD2 3.31Å; H197-Y201 WeakPolarHBondContact O-CD2 3.45Å; H197-Y201 PolarHBondContact O-N 3.34Å; H197-Y208 AromaticContact CD2-CE2 3.56Å; H197-Y208 AromaticContact CD2-CZ 3.72Å; H197-Y208 PolarHBondContact CD2-OH 2.97Å; H197-Y208 AromaticContact NE2-CE2 3.82Å; H197-Y208 AromaticContact NE2-CZ 3.83Å; H197-Y208 PolarHBondContact NE2-OH 3.34Å
198	I	98.2	Very high	97.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-69.6	-32.8	-178.4	-155.7	172.8	0	0	0	111.8	V163 F194 I195 Y202 Y208 L211 L212 F409	V163-I198 HydrophobicContact CG1-CG2 3.81Å; F194-I198 HydrophobicContact CE1-CG2 4.38Å; F194-I198 HydrophobicContact CZ-CD1 4.12Å; F194-I198 WeakPolarHBondContact O-CB 3.41Å; F194-I198 VanDerWaalsContact O-CG2 3.22Å; F194-I198 WeakPolarHBondContact O-CG2 3.23Å; F194-I198 PolarHBondContact O-N 3.19Å; I195-I198 PolarHBondContact O-N 2.93Å; I198-Y202 WeakPolarHBondContact O-CB 3.42Å; I198-Y202 PolarHBondContact O-N 3.02Å; I198-Y208 HydrophobicContact CG1-CD2 4.33Å; I198-Y208 HydrophobicContact CG1-CG 4.17Å; I198-L211 HydrophobicContact CD1-CD2 4.3Å; I198-L212 HydrophobicContact CD1-CD1 3.99Å; I198-L212 HydrophobicContact CD1-CD2 4.02Å; I198-L212 HydrophobicContact CD1-CG 3.89Å; I198-L212 HydrophobicContact CG1-CD1 4.05Å; I198-L212 HydrophobicContact CG1-CG 4.42Å; I198-F409 HydrophobicContact CB-CE2 4.3Å; I198-F409 HydrophobicContact CD1-CZ 4.41Å; I198-F409 HydrophobicContact CG1-CZ 4.42Å
199	T	98.2	Very high	97.7	Very high	4 Å²	4	34.6 Å²	34.6	3%	0.025	19%	0.191	C	C	.	.	H	α-helix	trans	-76.4	-43.7	175.9	56.1	0	0	0	0	112.7	Y140 M143 L144 V163 I195 G196 H197 Y201 Y202	Y140-T199 HydrophobicContact CD2-CG2 4.47Å; M143-T199 HydrophobicContact CB-CG2 4.45Å; M143-T199 HydrophobicContact CE-CG2 4.3Å; M143-T199 HydrophobicContact SD-CG2 4.43Å; L144-T199 HydrophobicContact CD1-CG2 4.06Å; L144-T199 HydrophobicContact CD2-CG2 3.77Å; L144-T199 HydrophobicContact CG-CG2 3.93Å; V163-T199 HydrophobicContact CG1-CG2 4.5Å; I195-T199 WeakPolarHBondContact O-CG2 3.45Å; I195-T199 PolarHBondContact O-N 3.22Å; I195-T199 VanDerWaalsContact O-N 3.08Å; I195-T199 PolarHBondContact O-OG1 3.42Å; G196-T199 PolarHBondContact O-OG1 2.93Å; H197-T199 VanDerWaalsContact C-N 3.34Å; H197-T199 PolarHBondContact O-N 3.39Å; T199-Y201 VanDerWaalsContact C-N 3.27Å; T199-Y201 PolarHBondContact O-N 3.33Å; T199-Y202 PolarHBondContact O-N 3.49Å
200	E	97.6	Very high	97.6	Very high	82 Å²	82	37.1 Å²	37.1	38%	0.383	20%	0.203	S	C	.	.	H	α-helix	trans	-61.3	-36.9	-179.8	-178	70.4	-152.8	0	0	111.7	K139 Y140 G196	K139-E200 IonicContact NZ-OE2 3.36Å; K139-E200 PolarHBondContact NZ-OE2 3.44Å; Y140-E200 PolarHBondContact OH-OE2 2.92Å; G196-E200 WeakPolarHBondContact O-CB 3.36Å; G196-E200 PolarHBondContact O-N 3.05Å
201	Y	97.8	Very high	97.4	Very high	85 Å²	85	37.2 Å²	37.2	33%	0.333	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	7.1	-176.7	-66.4	-72.3	0	0	0	114.4	H197 T199 G203 I204 I205 Y208	H197-Y201 AromaticContact CE1-CD2 3.48Å; H197-Y201 VanDerWaalsContact CE1-CD2 3.48Å; H197-Y201 WeakPolarHBondContact CE1-CD2 3.25Å; H197-Y201 AromaticContact CE1-CE2 3.27Å; H197-Y201 WeakPolarHBondContact CE1-CE2 3.38Å; H197-Y201 AromaticContact CG-CD2 3.92Å; H197-Y201 AromaticContact ND1-CD2 3.61Å; H197-Y201 AromaticContact ND1-CE2 3.42Å; H197-Y201 WeakPolarHBondContact ND1-CE2 3.43Å; H197-Y201 AromaticContact NE2-CD2 3.75Å; H197-Y201 AromaticContact NE2-CE2 3.99Å; H197-Y201 VanDerWaalsContact O-CD2 3.31Å; H197-Y201 WeakPolarHBondContact O-CD2 3.45Å; H197-Y201 PolarHBondContact O-N 3.34Å; T199-Y201 VanDerWaalsContact C-N 3.27Å; T199-Y201 PolarHBondContact O-N 3.33Å; Y201-G203 PolarHBondContact O-N 3.12Å; Y201-I204 HydrophobicContact CD1-CD1 4.46Å; Y201-I204 HydrophobicContact CD1-CG2 4.42Å; Y201-I204 PolarHBondContact O-N 2.83Å; Y201-I204 VanDerWaalsContact O-N 3.08Å; Y201-I205 HydrophobicContact CD1-CD1 4.05Å; Y201-I205 HydrophobicContact CD1-CG1 4.37Å; Y201-I205 HydrophobicContact CG-CD1 3.92Å; Y201-I205 HydrophobicContact CG-CG1 4.44Å; Y201-I205 PolarHBondContact O-N 3.18Å; Y201-Y208 HydrophobicContact CD2-CE2 4.46Å; Y201-Y208 HydrophobicContact CG-CE2 4.37Å
202	Y	97.8	Very high	97.4	Very high	34 Å²	34	37.2 Å²	37.2	13%	0.133	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	133.2	172.6	179.8	-94.8	0	0	0	111	M143 K166 I198 T199 I204 T209 L212	M143-Y202 HydrophobicContact CE-CD1 3.89Å; M143-Y202 HydrophobicContact CE-CD2 3.57Å; M143-Y202 HydrophobicContact CE-CE2 4.18Å; M143-Y202 HydrophobicContact CE-CG 3.37Å; M143-Y202 HydrophobicContact SD-CD1 3.71Å; M143-Y202 HydrophobicContact SD-CD2 4.48Å; M143-Y202 HydrophobicContact SD-CE1 4.43Å; M143-Y202 HydrophobicContact SD-CG 3.74Å; K166-Y202 HydrophobicContact CD-CE1 4.15Å; K166-Y202 HydrophobicContact CG-CE1 3.86Å; K166-Y202 PolarHBondContact N-OH 3.44Å; K166-Y202 VanDerWaalsContact N-OH 3.15Å; I198-Y202 WeakPolarHBondContact O-CB 3.42Å; I198-Y202 PolarHBondContact O-N 3.02Å; T199-Y202 PolarHBondContact O-N 3.49Å; Y202-I204 PolarHBondContact O-N 2.98Å; Y202-T209 HydrophobicContact CE2-CG2 4.03Å; Y202-L212 HydrophobicContact CD2-CB 4.39Å; Y202-L212 HydrophobicContact CD2-CD1 3.84Å; Y202-L212 HydrophobicContact CE2-CB 4.03Å; Y202-L212 HydrophobicContact CE2-CD1 4.21Å
203	G	96.7	Very high	97.2	Very high	60 Å²	60	42 Å²	42	62%	0.619	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.3	-12.8	-173	0	0	0	0	0	114.6	Y201 T209	Y201-G203 PolarHBondContact O-N 3.12Å; G203-T209 WeakPolarHBondContact CA-OG1 3.48Å; G203-T209 PolarHBondContact N-OG1 3.05Å
204	I	97.6	Very high	97.1	Very high	123 Å²	123	45.5 Å²	45.5	63%	0.631	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-52	175.6	-55.9	177	0	0	0	109.9	Y201 Y202	Y201-I204 HydrophobicContact CD1-CD1 4.46Å; Y201-I204 HydrophobicContact CD1-CG2 4.42Å; Y201-I204 PolarHBondContact O-N 2.83Å; Y201-I204 VanDerWaalsContact O-N 3.08Å; Y202-I204 PolarHBondContact O-N 2.98Å
205	I	96.7	Very high	97	Very high	50 Å²	50	45.5 Å²	45.5	26%	0.256	24%	0.239	S	C	.	.	S	Bend	trans	-96	109.5	175.9	-63.5	178.7	0	0	0	108.3	Y201 E207 Y208 T209	Y201-I205 HydrophobicContact CD1-CD1 4.05Å; Y201-I205 HydrophobicContact CD1-CG1 4.37Å; Y201-I205 HydrophobicContact CG-CD1 3.92Å; Y201-I205 HydrophobicContact CG-CG1 4.44Å; Y201-I205 PolarHBondContact O-N 3.18Å; I205-E207 HydrophobicContact CG2-CB 4.05Å; I205-E207 HydrophobicContact CG2-CG 4.49Å; I205-E207 PolarHBondContact O-N 3.22Å; I205-E207 VanDerWaalsContact O-N 3.12Å; I205-Y208 HydrophobicContact CB-CD1 4.49Å; I205-Y208 HydrophobicContact CB-CD2 3.93Å; I205-Y208 HydrophobicContact CB-CE2 4.08Å; I205-Y208 HydrophobicContact CB-CG 4.14Å; I205-Y208 HydrophobicContact CD1-CD2 4.36Å; I205-Y208 HydrophobicContact CD1-CE2 3.67Å; I205-Y208 HydrophobicContact CG1-CE2 4.39Å; I205-Y208 HydrophobicContact CG2-CD1 3.91Å; I205-Y208 HydrophobicContact CG2-CD2 4.21Å; I205-Y208 HydrophobicContact CG2-CE1 3.86Å; I205-Y208 HydrophobicContact CG2-CE2 4.22Å; I205-Y208 HydrophobicContact CG2-CG 4.05Å; I205-Y208 PolarHBondContact O-N 3.19Å; I205-T209 PolarHBondContact O-N 3.06Å
206	G	96.3	Very high	97	Very high	42 Å²	42	46.1 Å²	46.1	43%	0.433	24%	0.242	S	C	.	.	H	α-helix	trans	-57.4	-29.2	-176.4	0	0	0	0	0	114.1	Y208 N210	G206-Y208 VanDerWaalsContact C-N 3.32Å; G206-Y208 PolarHBondContact O-N 2.89Å; G206-N210 VanDerWaalsContact O-CB 3.25Å; G206-N210 WeakPolarHBondContact O-CB 3.36Å; G206-N210 PolarHBondContact O-N 3.44Å; G206-N210 PolarHBondContact O-ND2 3.27Å; G206-N210 VanDerWaalsContact O-ND2 3.17Å
207	E	94.3	Very high	97	Very high	138 Å²	138	46 Å²	46	65%	0.645	24%	0.241	S	C	*	.	H	α-helix	trans	-60.5	-39.6	175.3	-61.7	179	155.9	0	0	112.2	I205 L211	I205-E207 HydrophobicContact CG2-CB 4.05Å; I205-E207 HydrophobicContact CG2-CG 4.49Å; I205-E207 PolarHBondContact O-N 3.22Å; I205-E207 VanDerWaalsContact O-N 3.12Å; E207-L211 WeakPolarHBondContact O-CB 3.5Å; E207-L211 PolarHBondContact O-N 3.18Å
208	Y	96.3	Very high	97.1	Very high	22 Å²	22	45.6 Å²	45.6	9%	0.086	24%	0.238	C	C	.	.	H	α-helix	trans	-76.5	-42.1	-177.2	-57.5	-6	0	0	0	110.7	H197 I198 Y201 I205 G206 N210 L211 L212 F409	H197-Y208 AromaticContact CD2-CE2 3.56Å; H197-Y208 AromaticContact CD2-CZ 3.72Å; H197-Y208 PolarHBondContact CD2-OH 2.97Å; H197-Y208 AromaticContact NE2-CE2 3.82Å; H197-Y208 AromaticContact NE2-CZ 3.83Å; H197-Y208 PolarHBondContact NE2-OH 3.34Å; I198-Y208 HydrophobicContact CG1-CD2 4.33Å; I198-Y208 HydrophobicContact CG1-CG 4.17Å; Y201-Y208 HydrophobicContact CD2-CE2 4.46Å; Y201-Y208 HydrophobicContact CG-CE2 4.37Å; I205-Y208 HydrophobicContact CB-CD1 4.49Å; I205-Y208 HydrophobicContact CB-CD2 3.93Å; I205-Y208 HydrophobicContact CB-CE2 4.08Å; I205-Y208 HydrophobicContact CB-CG 4.14Å; I205-Y208 HydrophobicContact CD1-CD2 4.36Å; I205-Y208 HydrophobicContact CD1-CE2 3.67Å; I205-Y208 HydrophobicContact CG1-CE2 4.39Å; I205-Y208 HydrophobicContact CG2-CD1 3.91Å; I205-Y208 HydrophobicContact CG2-CD2 4.21Å; I205-Y208 HydrophobicContact CG2-CE1 3.86Å; I205-Y208 HydrophobicContact CG2-CE2 4.22Å; I205-Y208 HydrophobicContact CG2-CG 4.05Å; I205-Y208 PolarHBondContact O-N 3.19Å; G206-Y208 VanDerWaalsContact C-N 3.32Å; G206-Y208 PolarHBondContact O-N 2.89Å; Y208-N210 VanDerWaalsContact C-N 3.31Å; Y208-N210 PolarHBondContact O-N 2.81Å; Y208-L211 PolarHBondContact O-N 3.19Å; Y208-L212 PolarHBondContact O-N 3.36Å; Y208-F409 AromaticContact CD1-CE1 3.99Å; Y208-F409 HydrophobicContact CD1-CE1 3.99Å; Y208-F409 AromaticContact CD1-CZ 3.89Å; Y208-F409 HydrophobicContact CD1-CZ 3.89Å; Y208-F409 HydrophobicContact CE1-CD1 4.48Å; Y208-F409 AromaticContact CE1-CE1 3.38Å; Y208-F409 HydrophobicContact CE1-CE1 3.38Å; Y208-F409 AromaticContact CE1-CZ 3.61Å; Y208-F409 HydrophobicContact CE1-CZ 3.61Å; Y208-F409 HydrophobicContact CE2-CZ 4.45Å; Y208-F409 HydrophobicContact CG-CZ 4.5Å; Y208-F409 AromaticContact CZ-CE1 3.85Å; Y208-F409 AromaticContact CZ-CZ 3.91Å
209	T	96.6	Very high	97.1	Very high	22 Å²	22	45.6 Å²	45.6	14%	0.135	24%	0.238	C	C	.	.	H	α-helix	trans	-58.1	-45.3	172.2	-49.4	0	0	0	0	111.1	Y202 G203 I205 R213	Y202-T209 HydrophobicContact CE2-CG2 4.03Å; G203-T209 WeakPolarHBondContact CA-OG1 3.48Å; G203-T209 PolarHBondContact N-OG1 3.05Å; I205-T209 PolarHBondContact O-N 3.06Å; T209-R213 WeakPolarHBondContact O-CB 3.34Å; T209-R213 PolarHBondContact O-N 3.31Å
210	N	95.3	Very high	97.2	Very high	62 Å²	62	45.4 Å²	45.4	33%	0.332	24%	0.237	S	C	.	.	H	α-helix	trans	-67.5	-36.1	179	-74.2	-24.9	0	0	0	112.2	G206 Y208 R213 H214 W417	G206-N210 VanDerWaalsContact O-CB 3.25Å; G206-N210 WeakPolarHBondContact O-CB 3.36Å; G206-N210 PolarHBondContact O-N 3.44Å; G206-N210 PolarHBondContact O-ND2 3.27Å; G206-N210 VanDerWaalsContact O-ND2 3.17Å; Y208-N210 VanDerWaalsContact C-N 3.31Å; Y208-N210 PolarHBondContact O-N 2.81Å; N210-R213 PolarHBondContact OD1-NH1 3.29Å; N210-R213 PolarHBondContact OD1-NH2 3.25Å; N210-H214 PolarHBondContact O-ND1 2.91Å; N210-W417 HydrophobicContact CB-CH2 4.01Å; N210-W417 HydrophobicContact CB-CZ2 3.98Å
211	L	96.1	Very high	97.2	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-64	-54.5	176.2	-172.8	64	0	0	0	110.7	I198 E207 Y208 R213 H214 V215 F217 A416 W417 I420	I198-L211 HydrophobicContact CD1-CD2 4.3Å; E207-L211 WeakPolarHBondContact O-CB 3.5Å; E207-L211 PolarHBondContact O-N 3.18Å; Y208-L211 PolarHBondContact O-N 3.19Å; L211-R213 PolarHBondContact O-N 3.31Å; L211-H214 PolarHBondContact O-N 3.16Å; L211-V215 HydrophobicContact CD1-CG1 4.19Å; L211-V215 HydrophobicContact CG-CG1 4.32Å; L211-V215 PolarHBondContact O-N 3.12Å; L211-F217 HydrophobicContact CD1-CZ 4.46Å; L211-F217 HydrophobicContact CD2-CE2 3.88Å; L211-F217 HydrophobicContact CD2-CZ 3.84Å; L211-F217 HydrophobicContact CG-CE2 3.98Å; L211-F217 HydrophobicContact CG-CZ 4.13Å; L211-A416 HydrophobicContact CD1-CB 3.79Å; L211-W417 HydrophobicContact CB-CZ2 4.43Å; L211-W417 HydrophobicContact CD1-CD2 4.49Å; L211-W417 HydrophobicContact CD1-CZ2 4.5Å; L211-I420 HydrophobicContact CD1-CD1 3.79Å
212	L	97.7	Very high	97.3	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-70.2	-12.8	-178.2	-69.3	-176.4	0	0	0	114.4	M143 V163 G165 K171 I198 Y202 Y208 H214 F217	M143-L212 HydrophobicContact CE-CD1 3.49Å; M143-L212 VanDerWaalsContact CE-CD1 3.49Å; V163-L212 HydrophobicContact CG1-CD1 4.1Å; V163-L212 HydrophobicContact CG1-CD2 4.15Å; G165-L212 PolarHBondContact N-O 3.24Å; K171-L212 PolarHBondContact NZ-O 3.29Å; I198-L212 HydrophobicContact CD1-CD1 3.99Å; I198-L212 HydrophobicContact CD1-CD2 4.02Å; I198-L212 HydrophobicContact CD1-CG 3.89Å; I198-L212 HydrophobicContact CG1-CD1 4.05Å; I198-L212 HydrophobicContact CG1-CG 4.42Å; Y202-L212 HydrophobicContact CD2-CB 4.39Å; Y202-L212 HydrophobicContact CD2-CD1 3.84Å; Y202-L212 HydrophobicContact CE2-CB 4.03Å; Y202-L212 HydrophobicContact CE2-CD1 4.21Å; Y208-L212 PolarHBondContact O-N 3.36Å; L212-H214 VanDerWaalsContact C-N 3.31Å; L212-F217 HydrophobicContact CD2-CD2 3.69Å; L212-F217 HydrophobicContact CD2-CE2 3.94Å
213	R	96.3	Very high	97.3	Very high	104 Å²	104	36.4 Å²	36.4	39%	0.392	20%	0.2	S	C	.	.	H	α-helix	trans	-66.5	-33.3	167.9	-174.6	179.9	-60.8	133.6	7.3	112.2	E167 K171 T209 N210 L211	E167-R213 IonicContact OE1-NE 2.65Å; K171-R213 WeakPolarHBondContact CE-O 3.41Å; T209-R213 WeakPolarHBondContact O-CB 3.34Å; T209-R213 PolarHBondContact O-N 3.31Å; N210-R213 PolarHBondContact OD1-NH1 3.29Å; N210-R213 PolarHBondContact OD1-NH2 3.25Å; L211-R213 PolarHBondContact O-N 3.31Å
214	H	96.1	Very high	97.5	Very high	89 Å²	89	33.5 Å²	33.5	41%	0.412	17%	0.17	S	C	.	.	H	α-helix	trans	-103.3	-25.2	-171.9	-62.5	90.5	0	0	0	113.6	N210 L211 L212 I420	N210-H214 PolarHBondContact O-ND1 2.91Å; L211-H214 PolarHBondContact O-N 3.16Å; L212-H214 VanDerWaalsContact C-N 3.31Å; H214-I420 HydrophobicContact CB-CD1 3.92Å; H214-I420 HydrophobicContact CB-CG1 4.14Å; H214-I420 HydrophobicContact CB-CG2 4.06Å
215	V	97.4	Very high	97.5	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	143.6	-174.6	67.7	0	0	0	0	111.9	N172 M174 L211 F217 I420	N172-V215 WeakPolarHBondContact O-CA 3.19Å; N172-V215 WeakPolarHBondContact O-CG2 3.44Å; M174-V215 HydrophobicContact CB-CG2 4.34Å; M174-V215 HydrophobicContact CE-CB 4.07Å; M174-V215 HydrophobicContact CE-CG1 4.03Å; M174-V215 HydrophobicContact CE-CG2 3.6Å; M174-V215 HydrophobicContact CG-CG2 3.64Å; M174-V215 HydrophobicContact SD-CG2 4.15Å; L211-V215 HydrophobicContact CD1-CG1 4.19Å; L211-V215 HydrophobicContact CG-CG1 4.32Å; L211-V215 PolarHBondContact O-N 3.12Å; V215-F217 HydrophobicContact CG1-CD2 4.44Å; V215-F217 HydrophobicContact CG1-CE2 3.69Å; V215-F217 HydrophobicContact CG1-CZ 3.9Å; V215-I420 HydrophobicContact CG1-CD1 4.09Å
216	D	98.4	Very high	97.6	Very high	12 Å²	12	25.4 Å²	25.4	6%	0.064	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	151.2	163.4	-68.4	-29	0	0	0	110.4	K162 V163 S164 N172 A173 M174	K162-D216 VanDerWaalsContact CE-CG 3.47Å; K162-D216 WeakPolarHBondContact CE-OD2 3.43Å; K162-D216 IonicContact NZ-OD2 3.33Å; K162-D216 PolarHBondContact NZ-OD2 2.57Å; V163-D216 WeakPolarHBondContact O-CA 3.43Å; S164-D216 WeakPolarHBondContact CA-OD1 3.29Å; S164-D216 VanDerWaalsContact CB-OD1 3.28Å; S164-D216 WeakPolarHBondContact CB-OD1 2.93Å; S164-D216 PolarHBondContact OG-OD1 3.49Å; S164-D216 PolarHBondContact OG-OD2 2.76Å; N172-D216 PolarHBondContact O-N 3.06Å; A173-D216 CarbonylContact C-O 3.57Å; A173-D216 WeakPolarHBondContact CA-O 3.49Å; A173-D216 HydrophobicContact CB-CB 4.35Å; M174-D216 PolarHBondContact N-O 3.47Å
217	F	98.9	Very high	97.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	133	167.8	-66.9	-92.2	0	0	0	110.5	K162 V163 M174 I176 F194 L211 L212 V215 V219 V412 A416	K162-F217 CarbonylContact C-O 3.51Å; K162-F217 VanDerWaalsContact CA-O 3.32Å; K162-F217 WeakPolarHBondContact CA-O 3.4Å; V163-F217 HydrophobicContact CB-CB 4.21Å; V163-F217 HydrophobicContact CG2-CB 4.47Å; V163-F217 PolarHBondContact N-O 3.12Å; V163-F217 PolarHBondContact O-N 2.85Å; M174-F217 HydrophobicContact CB-CD1 3.85Å; M174-F217 HydrophobicContact CB-CE1 3.88Å; M174-F217 HydrophobicContact CG-CE1 4.42Å; M174-F217 CarbonylContact O-C 3.51Å; M174-F217 WeakPolarHBondContact O-CA 3.38Å; M174-F217 HydrophobicContact SD-CE1 3.93Å; M174-F217 HydrophobicContact SD-CZ 4.26Å; I176-F217 HydrophobicContact CD1-CD1 3.7Å; I176-F217 HydrophobicContact CD1-CE1 4.1Å; I176-F217 HydrophobicContact CG1-CD1 4.22Å; F194-F217 HydrophobicContact CE1-CB 4.18Å; F194-F217 HydrophobicContact CE1-CD1 4.33Å; F194-F217 HydrophobicContact CE1-CD2 4.36Å; F194-F217 HydrophobicContact CE1-CG 4.03Å; F194-F217 HydrophobicContact CZ-CB 4.46Å; F194-F217 AromaticContact CZ-CD1 3.85Å; F194-F217 HydrophobicContact CZ-CD1 3.85Å; F194-F217 AromaticContact CZ-CD2 3.96Å; F194-F217 HydrophobicContact CZ-CD2 3.96Å; F194-F217 HydrophobicContact CZ-CE1 4.03Å; F194-F217 HydrophobicContact CZ-CE2 4.13Å; F194-F217 AromaticContact CZ-CG 3.82Å; F194-F217 HydrophobicContact CZ-CG 3.82Å; F194-F217 HydrophobicContact CZ-CZ 4.17Å; L211-F217 HydrophobicContact CD1-CZ 4.46Å; L211-F217 HydrophobicContact CD2-CE2 3.88Å; L211-F217 HydrophobicContact CD2-CZ 3.84Å; L211-F217 HydrophobicContact CG-CE2 3.98Å; L211-F217 HydrophobicContact CG-CZ 4.13Å; L212-F217 HydrophobicContact CD2-CD2 3.69Å; L212-F217 HydrophobicContact CD2-CE2 3.94Å; V215-F217 HydrophobicContact CG1-CD2 4.44Å; V215-F217 HydrophobicContact CG1-CE2 3.69Å; V215-F217 HydrophobicContact CG1-CZ 3.9Å; F217-V219 HydrophobicContact CB-CG2 3.88Å; F217-V412 HydrophobicContact CE1-CG1 4.38Å; F217-A416 HydrophobicContact CE1-CB 4.48Å; F217-A416 HydrophobicContact CZ-CB 4.11Å
218	Y	98.9	Very high	98	Very high	26 Å²	26	17 Å²	17	10%	0.102	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	110.1	162.2	-71	-63.8	0	0	0	107.7	I147 V160 K162 A173 M174 W175 I176 F295	I147-Y218 HydrophobicContact CD1-CD1 4.1Å; I147-Y218 HydrophobicContact CD1-CE1 3.69Å; V160-Y218 HydrophobicContact CG1-CD1 3.92Å; V160-Y218 HydrophobicContact CG1-CG 4.31Å; K162-Y218 HydrophobicContact CB-CD1 3.91Å; K162-Y218 HydrophobicContact CB-CE1 3.75Å; K162-Y218 HydrophobicContact CD-CE1 3.92Å; K162-Y218 HydrophobicContact CG-CD1 3.98Å; K162-Y218 HydrophobicContact CG-CE1 3.56Å; A173-Y218 HydrophobicContact CB-CD2 3.82Å; A173-Y218 HydrophobicContact CB-CE2 3.67Å; M174-Y218 PolarHBondContact O-N 3.33Å; W175-Y218 WeakPolarHBondContact CA-O 3.43Å; I176-Y218 PolarHBondContact N-O 3.19Å; Y218-F295 HydrophobicContact CD1-CE1 4.11Å; Y218-F295 AromaticContact CD1-CZ 3.65Å; Y218-F295 HydrophobicContact CD1-CZ 3.65Å; Y218-F295 HydrophobicContact CD2-CE1 4.03Å; Y218-F295 HydrophobicContact CD2-CZ 4.2Å; Y218-F295 HydrophobicContact CE1-CE1 4.49Å; Y218-F295 AromaticContact CE1-CZ 3.74Å; Y218-F295 HydrophobicContact CE1-CZ 3.74Å; Y218-F295 HydrophobicContact CE2-CE1 4.42Å; Y218-F295 HydrophobicContact CE2-CZ 4.28Å; Y218-F295 AromaticContact CG-CE1 3.86Å; Y218-F295 HydrophobicContact CG-CE1 3.86Å; Y218-F295 AromaticContact CG-CZ 3.9Å; Y218-F295 HydrophobicContact CG-CZ 3.9Å
219	V	99	Very high	98.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	120.8	-175.9	-172.5	0	0	0	0	109.5	L161 V163 I176 C191 F194 I195 F217 P221	L161-V219 PolarHBondContact N-O 2.81Å; L161-V219 PolarHBondContact O-N 3.42Å; V163-V219 HydrophobicContact CG2-CG2 4.06Å; I176-V219 HydrophobicContact CB-CG1 4.5Å; I176-V219 HydrophobicContact CB-CG2 4.43Å; I176-V219 CarbonylContact O-C 3.5Å; I176-V219 VanDerWaalsContact O-CA 3.26Å; I176-V219 WeakPolarHBondContact O-CA 3.19Å; C191-V219 HydrophobicContact CB-CG1 3.9Å; C191-V219 VanDerWaalsContact SG-CG1 3.53Å; F194-V219 HydrophobicContact CD1-CG2 3.92Å; F194-V219 HydrophobicContact CE1-CG2 3.83Å; I195-V219 HydrophobicContact CD1-CB 3.85Å; I195-V219 HydrophobicContact CD1-CG1 3.66Å; I195-V219 HydrophobicContact CG1-CB 4.08Å; I195-V219 HydrophobicContact CG1-CG1 3.98Å; I195-V219 HydrophobicContact CG1-CG2 4.25Å; F217-V219 HydrophobicContact CB-CG2 3.88Å; V219-P221 WeakPolarHBondContact O-CD 3.37Å
220	M	98.9	Very high	98.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	103.4	174.8	-171.5	166.4	-171.4	0	0	109.8	I149 L158 V160 W175 I176 D177 C178 V222 V223 V292	I149-M220 HydrophobicContact CD1-CE 3.91Å; I149-M220 HydrophobicContact CD1-SD 3.84Å; L158-M220 HydrophobicContact CB-CE 3.84Å; L158-M220 HydrophobicContact CD2-CE 4.1Å; L158-M220 HydrophobicContact CG-CE 4.41Å; V160-M220 HydrophobicContact CG2-CB 4.18Å; V160-M220 HydrophobicContact CG2-CG 4.3Å; V160-M220 HydrophobicContact CG2-SD 4.27Å; W175-M220 HydrophobicContact CH2-CB 3.91Å; W175-M220 HydrophobicContact CH2-SD 4.04Å; W175-M220 HydrophobicContact CZ2-CB 3.83Å; W175-M220 HydrophobicContact CZ2-SD 4.08Å; I176-M220 PolarHBondContact O-N 3.45Å; D177-M220 HydrophobicContact CB-CB 4.16Å; C178-M220 PolarHBondContact N-O 2.91Å; M220-V222 PolarHBondContact O-N 3.1Å; M220-V223 HydrophobicContact CE-CG2 4.42Å; M220-V223 HydrophobicContact CG-CG2 4.07Å; M220-V223 HydrophobicContact SD-CB 4.43Å; M220-V223 HydrophobicContact SD-CG2 3.74Å; M220-V292 HydrophobicContact CE-CG2 4.32Å; M220-V292 HydrophobicContact SD-CG2 3.59Å; M220-V292 VanDerWaalsContact SD-CG2 3.59Å
221	P	98.9	Very high	98.4	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.013	7%	0.067	C	C	.	.	S	Bend	trans	-64.5	-35.6	-172.2	-26	36.2	0	0	0	115.2	I129 W132 I133 C178 P188 C191 L192 I195 V219	I129-P221 HydrophobicContact CG2-CB 4.42Å; W132-P221 HydrophobicContact CZ3-CG 4.45Å; I133-P221 HydrophobicContact CD1-CG 4.44Å; C178-P221 CarbonylContact C-O 3.55Å; C178-P221 WeakPolarHBondContact CB-O 3.43Å; P188-P221 WeakPolarHBondContact CA-O 3.36Å; C191-P221 HydrophobicContact CB-CB 4.22Å; L192-P221 HydrophobicContact CD1-CB 3.81Å; L192-P221 HydrophobicContact CD1-CG 4.5Å; I195-P221 HydrophobicContact CD1-CG 4.31Å; V219-P221 WeakPolarHBondContact O-CD 3.37Å
222	V	98.9	Very high	98.5	Very high	9 Å²	9	16.4 Å²	16.4	6%	0.055	7%	0.07	C	C	.	.			trans	-143.8	109.6	179.4	-172.7	0	0	0	0	108.6	I129 C178 P188 M220 V225 Y228	I129-V222 HydrophobicContact CD1-CG2 3.79Å; I129-V222 HydrophobicContact CG2-CG2 4.46Å; C178-V222 CarbonylContact O-C 3.51Å; C178-V222 WeakPolarHBondContact O-CA 3.49Å; P188-V222 HydrophobicContact CB-CG2 3.99Å; P188-V222 HydrophobicContact CG-CG2 4.1Å; M220-V222 PolarHBondContact O-N 3.1Å; V222-V225 HydrophobicContact CB-CG1 4.04Å; V222-V225 HydrophobicContact CG1-CB 4.46Å; V222-V225 HydrophobicContact CG1-CG1 3.9Å; V222-V225 WeakPolarHBondContact O-CG1 3.42Å; V222-Y228 HydrophobicContact CG1-CD1 4.27Å; V222-Y228 HydrophobicContact CG1-CG 3.97Å; V222-Y228 HydrophobicContact CG2-CD1 4.46Å
223	V	98.9	Very high	98.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-73.5	-52.3	173.7	177.3	0	0	0	0	110.5	D177 C178 I180 M220 V225 L255 E288 V292	D177-V223 HydrophobicContact CB-CG2 3.68Å; C178-V223 WeakPolarHBondContact O-CG2 3.39Å; C178-V223 PolarHBondContact O-N 3.21Å; I180-V223 HydrophobicContact CG1-CB 3.83Å; I180-V223 HydrophobicContact CG1-CG1 4.11Å; I180-V223 HydrophobicContact CG1-CG2 3.76Å; M220-V223 HydrophobicContact CE-CG2 4.42Å; M220-V223 HydrophobicContact CG-CG2 4.07Å; M220-V223 HydrophobicContact SD-CB 4.43Å; M220-V223 HydrophobicContact SD-CG2 3.74Å; V223-V225 PolarHBondContact O-N 3.14Å; V223-L255 HydrophobicContact CG1-CD1 3.91Å; V223-E288 HydrophobicContact CG1-CB 4.37Å; V223-V292 HydrophobicContact CG1-CG2 4.13Å
224	N	98.9	Very high	98.5	Very high	0 Å²	0	21 Å²	21	0%	0	9%	0.093	C	C	.	.			trans	-91.7	69.8	-177.5	-175.6	5	0	0	0	111	G179 I180 D226 G227 Y228 R239 K240 N241 L255	G179-N224 VanDerWaalsContact O-CB 3.22Å; G179-N224 WeakPolarHBondContact O-CB 3.47Å; G179-N224 PolarHBondContact O-N 3.48Å; I180-N224 WeakPolarHBondContact O-CB 3.22Å; I180-N224 PolarHBondContact O-ND2 2.93Å; N224-D226 PolarHBondContact O-N 3.23Å; N224-G227 PolarHBondContact O-N 3.22Å; N224-G227 VanDerWaalsContact OD1-CA 3.32Å; N224-G227 WeakPolarHBondContact OD1-CA 3.25Å; N224-G227 PolarHBondContact OD1-N 3.22Å; N224-Y228 WeakPolarHBondContact O-CB 3.33Å; N224-Y228 PolarHBondContact O-N 2.94Å; N224-R239 PolarHBondContact ND2-O 3.04Å; N224-K240 PolarHBondContact ND2-O 2.76Å; N224-N241 PolarHBondContact ND2-N 3.25Å; N224-N241 VanDerWaalsContact OD1-CA 3.25Å; N224-N241 WeakPolarHBondContact OD1-CA 3.46Å; N224-N241 WeakPolarHBondContact OD1-CB 3.26Å; N224-L255 HydrophobicContact CB-CD1 3.66Å
225	V	98.9	Very high	98.6	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.018	8%	0.082	C	C	.	.	H	α-helix	trans	-61.1	-42.2	-175.9	-63.7	0	0	0	0	112.2	L126 Y130 S152 H156 L158 V222 V223 Y228 D229	L126-V225 HydrophobicContact CD1-CB 3.87Å; L126-V225 HydrophobicContact CD1-CG1 3.85Å; L126-V225 HydrophobicContact CD2-CB 3.89Å; Y130-V225 WeakPolarHBondContact OH-CG1 3.43Å; S152-V225 VanDerWaalsContact CB-CG2 3.42Å; H156-V225 HydrophobicContact CB-CB 4.37Å; H156-V225 HydrophobicContact CB-CG2 3.63Å; L158-V225 HydrophobicContact CD2-CG1 3.99Å; L158-V225 HydrophobicContact CD2-CG2 3.66Å; V222-V225 HydrophobicContact CB-CG1 4.04Å; V222-V225 HydrophobicContact CG1-CB 4.46Å; V222-V225 HydrophobicContact CG1-CG1 3.9Å; V222-V225 WeakPolarHBondContact O-CG1 3.42Å; V223-V225 PolarHBondContact O-N 3.14Å; V225-Y228 PolarHBondContact O-N 2.85Å; V225-D229 WeakPolarHBondContact O-CB 3.18Å; V225-D229 PolarHBondContact O-N 2.96Å
226	D	98.9	Very high	98.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-67.8	-44.6	-179.2	-59.7	-11.7	0	0	0	111.6	S152 Y153 E154 H156 N224 Y230 R242	S152-D226 WeakPolarHBondContact CB-OD1 3.45Å; S152-D226 VanDerWaalsContact CB-OD2 3.31Å; S152-D226 WeakPolarHBondContact CB-OD2 3.32Å; S152-D226 PolarHBondContact OG-OD1 3.07Å; S152-D226 PolarHBondContact OG-OD2 2.88Å; S152-D226 VanDerWaalsContact OG-OD2 3.12Å; Y153-D226 PolarHBondContact N-OD2 2.02Å; E154-D226 WeakPolarHBondContact CB-OD2 3.46Å; E154-D226 HydrophobicContact CG-CB 4.27Å; E154-D226 WeakPolarHBondContact CG-OD2 3.37Å; E154-D226 PolarHBondContact N-OD2 3.35Å; H156-D226 IonicContact CE1-OD1 3.7Å; H156-D226 IonicContact CG-OD1 2.71Å; H156-D226 IonicContact ND1-OD1 2.68Å; H156-D226 PolarHBondContact ND1-OD1 2.88Å; N224-D226 PolarHBondContact O-N 3.23Å; D226-Y230 VanDerWaalsContact O-CB 3.29Å; D226-Y230 WeakPolarHBondContact O-CB 3.49Å; D226-Y230 PolarHBondContact O-N 2.74Å; D226-R242 HydrophobicContact CB-CB 3.79Å; D226-R242 HydrophobicContact CB-CG 3.68Å
227	G	98.9	Very high	98.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.4	-43	176.2	0	0	0	0	0	111.6	A182 N224 Y230 S231	A182-G227 WeakPolarHBondContact CB-O 3.46Å; N224-G227 PolarHBondContact O-N 3.22Å; N224-G227 VanDerWaalsContact OD1-CA 3.32Å; N224-G227 WeakPolarHBondContact OD1-CA 3.25Å; N224-G227 PolarHBondContact OD1-N 3.22Å; G227-Y230 WeakPolarHBondContact O-CB 3.34Å; G227-Y230 PolarHBondContact O-N 3.01Å; G227-S231 PolarHBondContact O-N 2.81Å
228	Y	98.9	Very high	98.6	Very high	3 Å²	3	19.3 Å²	19.3	1%	0.012	8%	0.084	C	C	.	.	H	α-helix	trans	-59.8	-50	178.2	-174.4	-103.8	0	0	0	110.8	H124 L126 I129 W185 P188 V222 N224 V225 Y230 S231 W232	H124-Y228 WeakPolarHBondContact O-CE1 3.49Å; H124-Y228 PolarHBondContact O-OH 3Å; L126-Y228 HydrophobicContact CB-CD1 4.14Å; L126-Y228 HydrophobicContact CD1-CD1 4.46Å; I129-Y228 HydrophobicContact CD1-CE1 3.7Å; W185-Y228 AromaticContact CD1-CD2 4Å; W185-Y228 AromaticContact CD1-CE2 3.53Å; W185-Y228 HydrophobicContact CG-CE2 4.09Å; W185-Y228 AromaticContact NE1-CE2 3.88Å; P188-Y228 HydrophobicContact CB-CE2 4.29Å; P188-Y228 HydrophobicContact CG-CD2 4.18Å; P188-Y228 HydrophobicContact CG-CE2 3.81Å; V222-Y228 HydrophobicContact CG1-CD1 4.27Å; V222-Y228 HydrophobicContact CG1-CG 3.97Å; V222-Y228 HydrophobicContact CG2-CD1 4.46Å; N224-Y228 WeakPolarHBondContact O-CB 3.33Å; N224-Y228 PolarHBondContact O-N 2.94Å; V225-Y228 PolarHBondContact O-N 2.85Å; Y228-Y230 VanDerWaalsContact C-N 3.32Å; Y228-Y230 PolarHBondContact O-N 3.33Å; Y228-S231 WeakPolarHBondContact O-CB 3.34Å; Y228-S231 PolarHBondContact O-N 3.47Å; Y228-S231 PolarHBondContact O-OG 2.89Å; Y228-W232 AromaticContact CD1-CD1 4Å; Y228-W232 AromaticContact CE1-CD1 3.68Å; Y228-W232 AromaticContact CE1-NE1 3.37Å; Y228-W232 AromaticContact CE2-NE1 3.69Å; Y228-W232 AromaticContact CZ-CD1 3.77Å; Y228-W232 AromaticContact CZ-NE1 3.11Å; Y228-W232 PolarHBondContact O-N 2.65Å; Y228-W232 VanDerWaalsContact O-N 3.12Å; Y228-W232 PolarHBondContact OH-NE1 3.14Å; Y228-W232 VanDerWaalsContact OH-NE1 3.08Å
229	D	98.9	Very high	98.6	Very high	18 Å²	18	18.4 Å²	18.4	10%	0.096	8%	0.081	C	C	.	.	H	α-helix	trans	-60.5	-40.7	176	-170.8	65	0	0	0	112.4	L126 V225 S231 W232 K233	L126-D229 HydrophobicContact CB-CB 4.16Å; L126-D229 HydrophobicContact CD2-CB 3.87Å; V225-D229 WeakPolarHBondContact O-CB 3.18Å; V225-D229 PolarHBondContact O-N 2.96Å; D229-S231 VanDerWaalsContact C-N 3.28Å; D229-S231 PolarHBondContact O-N 3.46Å; D229-W232 WeakPolarHBondContact O-CB 3.28Å; D229-W232 PolarHBondContact O-N 2.61Å; D229-W232 VanDerWaalsContact O-N 3.12Å; D229-K233 WeakPolarHBondContact O-CG 3.36Å; D229-K233 PolarHBondContact O-N 3.2Å; D229-K233 WeakPolarHBondContact OD1-CE 3.31Å; D229-K233 IonicContact OD1-NZ 3.48Å; D229-K233 PolarHBondContact OD1-NZ 2.96Å; D229-K233 WeakPolarHBondContact OD2-CD 3.48Å; D229-K233 WeakPolarHBondContact OD2-CE 3.32Å; D229-K233 IonicContact OD2-NZ 3.6Å; D229-K233 PolarHBondContact OD2-NZ 2.62Å
230	Y	98.8	Very high	98.6	Very high	60 Å²	60	18.6 Å²	18.6	24%	0.235	8%	0.082	C	C	.	.	H	α-helix	trans	-62.4	-35.3	174.4	-171.9	-105.4	0	0	0	112.5	D226 G227 Y228 W232 K233 K234 N235 W238	D226-Y230 VanDerWaalsContact O-CB 3.29Å; D226-Y230 WeakPolarHBondContact O-CB 3.49Å; D226-Y230 PolarHBondContact O-N 2.74Å; G227-Y230 WeakPolarHBondContact O-CB 3.34Å; G227-Y230 PolarHBondContact O-N 3.01Å; Y228-Y230 VanDerWaalsContact C-N 3.32Å; Y228-Y230 PolarHBondContact O-N 3.33Å; Y230-W232 VanDerWaalsContact C-N 3.3Å; Y230-W232 PolarHBondContact O-N 3.45Å; Y230-K233 PolarHBondContact O-N 3.07Å; Y230-K234 HydrophobicContact CD2-CB 3.67Å; Y230-K234 HydrophobicContact CD2-CG 3.72Å; Y230-K234 HydrophobicContact CE1-CB 4.28Å; Y230-K234 HydrophobicContact CE2-CB 3.35Å; Y230-K234 HydrophobicContact CE2-CG 3.55Å; Y230-K234 HydrophobicContact CG-CB 4.24Å; Y230-K234 PolarHBondContact O-N 3.27Å; Y230-N235 HydrophobicContact CD1-CB 4.1Å; Y230-N235 HydrophobicContact CE1-CB 3.51Å; Y230-N235 PolarHBondContact O-N 3.23Å; Y230-W238 HydrophobicContact CD1-CB 3.81Å; Y230-W238 AromaticContact CD1-CD1 3.81Å; Y230-W238 AromaticContact CD1-CD2 3.76Å; Y230-W238 HydrophobicContact CD1-CD2 3.76Å; Y230-W238 HydrophobicContact CD1-CE3 4.31Å; Y230-W238 AromaticContact CD1-CG 3.51Å; Y230-W238 HydrophobicContact CD1-CG 3.51Å; Y230-W238 HydrophobicContact CE1-CB 4.2Å; Y230-W238 AromaticContact CE1-CD2 3.71Å; Y230-W238 HydrophobicContact CE1-CD2 3.71Å; Y230-W238 AromaticContact CE1-CE3 3.78Å; Y230-W238 HydrophobicContact CE1-CE3 3.78Å; Y230-W238 AromaticContact CE1-CG 3.91Å; Y230-W238 HydrophobicContact CE1-CG 3.91Å; Y230-W238 HydrophobicContact CE1-CZ3 4.45Å
231	S	98.7	Very high	98.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-69.5	-28.3	175.3	79.5	0	0	0	0	113.5	A182 W185 G227 Y228 D229 N235 R236	A182-S231 PolarHBondContact O-OG 2.89Å; W185-S231 PolarHBondContact NE1-OG 3.28Å; G227-S231 PolarHBondContact O-N 2.81Å; Y228-S231 WeakPolarHBondContact O-CB 3.34Å; Y228-S231 PolarHBondContact O-N 3.47Å; Y228-S231 PolarHBondContact O-OG 2.89Å; D229-S231 VanDerWaalsContact C-N 3.28Å; D229-S231 PolarHBondContact O-N 3.46Å; S231-N235 VanDerWaalsContact CA-O 3.26Å; S231-N235 WeakPolarHBondContact CA-O 3.41Å; S231-R236 WeakPolarHBondContact O-CA 3.35Å
232	W	98.5	Very high	98.6	Very high	18 Å²	18	20 Å²	20	7%	0.068	9%	0.087	C	C	.	.	H	α-helix	trans	-77.6	-26.4	174	-88.5	79.3	0	0	0	113.7	F23 I106 D109 Y123 H124 W185 Y228 D229 Y230	F23-W232 VanDerWaalsContact CE1-O 3.24Å; F23-W232 WeakPolarHBondContact CE1-O 3.4Å; F23-W232 WeakPolarHBondContact CZ-O 3.42Å; I106-W232 HydrophobicContact CB-CE3 4.14Å; I106-W232 HydrophobicContact CB-CZ3 3.83Å; I106-W232 HydrophobicContact CG2-CD2 4.39Å; I106-W232 HydrophobicContact CG2-CE3 3.73Å; I106-W232 HydrophobicContact CG2-CH2 4.43Å; I106-W232 HydrophobicContact CG2-CZ3 3.77Å; D109-W232 HydrophobicContact CB-CH2 4.25Å; D109-W232 HydrophobicContact CB-CZ3 4.05Å; Y123-W232 WeakPolarHBondContact O-CH2 3.09Å; H124-W232 VanDerWaalsContact C-CH2 3.47Å; H124-W232 WeakPolarHBondContact O-CZ2 3.4Å; W185-W232 AromaticContact CD2-NE1 3.93Å; W185-W232 AromaticContact CE2-CD1 3.74Å; W185-W232 AromaticContact CE2-NE1 3.51Å; W185-W232 HydrophobicContact CE3-CZ2 4.23Å; W185-W232 AromaticContact CH2-CD2 3.92Å; W185-W232 HydrophobicContact CH2-CD2 3.92Å; W185-W232 AromaticContact CH2-CE2 3.81Å; W185-W232 HydrophobicContact CH2-CE3 4.45Å; W185-W232 HydrophobicContact CH2-CG 4.13Å; W185-W232 HydrophobicContact CH2-CZ2 4.27Å; W185-W232 AromaticContact CH2-NE1 3.95Å; W185-W232 HydrophobicContact CZ2-CB 4.5Å; W185-W232 AromaticContact CZ2-CD1 3.48Å; W185-W232 VanDerWaalsContact CZ2-CD1 3.48Å; W185-W232 HydrophobicContact CZ2-CD2 4.04Å; W185-W232 AromaticContact CZ2-CE2 3.89Å; W185-W232 AromaticContact CZ2-CG 3.8Å; W185-W232 HydrophobicContact CZ2-CG 3.8Å; W185-W232 AromaticContact CZ2-NE1 3.53Å; W185-W232 HydrophobicContact CZ3-CD2 4.49Å; W185-W232 HydrophobicContact CZ3-CZ2 4.02Å; W185-W232 AromaticContact NE1-CD1 3.98Å; W185-W232 AromaticContact NE1-NE1 3.9Å; Y228-W232 AromaticContact CD1-CD1 4Å; Y228-W232 AromaticContact CE1-CD1 3.68Å; Y228-W232 AromaticContact CE1-NE1 3.37Å; Y228-W232 AromaticContact CE2-NE1 3.69Å; Y228-W232 AromaticContact CZ-CD1 3.77Å; Y228-W232 AromaticContact CZ-NE1 3.11Å; Y228-W232 PolarHBondContact O-N 2.65Å; Y228-W232 VanDerWaalsContact O-N 3.12Å; Y228-W232 PolarHBondContact OH-NE1 3.14Å; Y228-W232 VanDerWaalsContact OH-NE1 3.08Å; D229-W232 WeakPolarHBondContact O-CB 3.28Å; D229-W232 PolarHBondContact O-N 2.61Å; D229-W232 VanDerWaalsContact O-N 3.12Å; Y230-W232 VanDerWaalsContact C-N 3.3Å; Y230-W232 PolarHBondContact O-N 3.45Å
233	K	97.6	Very high	98.6	Very high	105 Å²	105	19.7 Å²	19.7	46%	0.457	9%	0.085	S	C	.	.	H	α-helix	trans	-114.1	-24.8	-169	-68.1	176.2	-177.8	163.2	0	115.4	D229 Y230	D229-K233 WeakPolarHBondContact O-CG 3.36Å; D229-K233 PolarHBondContact O-N 3.2Å; D229-K233 WeakPolarHBondContact OD1-CE 3.31Å; D229-K233 IonicContact OD1-NZ 3.48Å; D229-K233 PolarHBondContact OD1-NZ 2.96Å; D229-K233 WeakPolarHBondContact OD2-CD 3.48Å; D229-K233 WeakPolarHBondContact OD2-CE 3.32Å; D229-K233 IonicContact OD2-NZ 3.6Å; D229-K233 PolarHBondContact OD2-NZ 2.62Å; Y230-K233 PolarHBondContact O-N 3.07Å
234	K	96.8	Very high	98.5	Very high	96 Å²	96	24.3 Å²	24.3	42%	0.417	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.4	-55.2	-166.4	-59.1	-64.8	172.6	-169.4	0	113.5	Y230	Y230-K234 HydrophobicContact CD2-CB 3.67Å; Y230-K234 HydrophobicContact CD2-CG 3.72Å; Y230-K234 HydrophobicContact CE1-CB 4.28Å; Y230-K234 HydrophobicContact CE2-CB 3.35Å; Y230-K234 HydrophobicContact CE2-CG 3.55Å; Y230-K234 HydrophobicContact CG-CB 4.24Å; Y230-K234 PolarHBondContact O-N 3.27Å
235	N	97.8	Very high	98.5	Very high	34 Å²	34	26.4 Å²	26.4	18%	0.182	11%	0.114	C	C	.	.			trans	-137.6	97.7	-174.3	178.9	-18.7	0	0	0	111.2	Q24 Y230 S231 M237 W238	Q24-N235 PolarHBondContact NE2-OD1 3.2Å; Y230-N235 HydrophobicContact CD1-CB 4.1Å; Y230-N235 HydrophobicContact CE1-CB 3.51Å; Y230-N235 PolarHBondContact O-N 3.23Å; S231-N235 VanDerWaalsContact CA-O 3.26Å; S231-N235 WeakPolarHBondContact CA-O 3.41Å; N235-M237 PolarHBondContact O-N 2.98Å; N235-M237 VanDerWaalsContact O-N 3.09Å; N235-M237 WeakPolarHBondContact OD1-CA 3.28Å; N235-M237 PolarHBondContact OD1-N 3.11Å; N235-W238 HydrophobicContact CB-CB 4.2Å; N235-W238 WeakPolarHBondContact O-CB 3.18Å; N235-W238 PolarHBondContact O-N 2.83Å; N235-W238 PolarHBondContact OD1-N 3.32Å; N235-W238 VanDerWaalsContact OD1-N 3.1Å
236	R	98.5	Very high	98.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-27	-178.1	-179.1	63	-180	77.9	-2.9	114.5	I102 R183 W185 S231 W238 F394 L395	I102-R236 HydrophobicContact CD1-CB 3.63Å; I102-R236 HydrophobicContact CD1-CG 3.81Å; I102-R236 HydrophobicContact CG1-CB 4.19Å; I102-R236 HydrophobicContact CG1-CG 3.86Å; R183-R236 WeakPolarHBondContact CB-O 3.32Å; R183-R236 PolarHBondContact O-NH1 3.16Å; W185-R236 VanDerWaalsContact CD2-CZ 3.44Å; W185-R236 VanDerWaalsContact CD2-NH2 3.3Å; W185-R236 VanDerWaalsContact CE2-CZ 3.47Å; W185-R236 VanDerWaalsContact CE2-NE 3.3Å; W185-R236 VanDerWaalsContact CH2-CD 3.49Å; S231-R236 WeakPolarHBondContact O-CA 3.35Å; R236-W238 VanDerWaalsContact C-N 3.33Å; R236-F394 PolarHBondContact NH2-O 3.08Å; R236-L395 HydrophobicContact CG-CD2 3.92Å
237	M	98.2	Very high	98	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	0.4	-177.5	-49.9	-55.2	161.9	0	0	113.1	V52 W54 F71 V98 I102 R183 N235 L395	V52-M237 HydrophobicContact CB-CB 4.27Å; V52-M237 HydrophobicContact CG1-CB 3.84Å; V52-M237 HydrophobicContact CG2-CB 4.4Å; W54-M237 HydrophobicContact CZ2-CE 4.19Å; W54-M237 HydrophobicContact CZ2-SD 3.78Å; W54-M237 PolarHBondContact NE1-SD 3.1Å; W54-M237 VanDerWaalsContact NE1-SD 3.41Å; F71-M237 HydrophobicContact CD1-CG 4.3Å; F71-M237 HydrophobicContact CD2-CE 4.11Å; F71-M237 HydrophobicContact CG-CE 4.4Å; F71-M237 HydrophobicContact CG-CG 4.3Å; V98-M237 HydrophobicContact CG1-CE 3.59Å; I102-M237 HydrophobicContact CD1-CE 4.21Å; R183-M237 WeakPolarHBondContact CD-O 3.31Å; R183-M237 PolarHBondContact NH1-O 3.31Å; R183-M237 VanDerWaalsContact NH1-O 3.17Å; N235-M237 PolarHBondContact O-N 2.98Å; N235-M237 VanDerWaalsContact O-N 3.09Å; N235-M237 WeakPolarHBondContact OD1-CA 3.28Å; N235-M237 PolarHBondContact OD1-N 3.11Å; M237-L395 HydrophobicContact CE-CD1 4.24Å
238	W	98.8	Very high	97.8	Very high	30 Å²	30	39.6 Å²	39.6	11%	0.114	20%	0.195	C	C	.	.			trans	-63.2	138.6	178.7	-167.4	-101.6	0	0	0	111.4	A182 R183 Y230 N235 R236 K240 N241 R242 I251	A182-W238 VanDerWaalsContact CB-O 3.3Å; A182-W238 WeakPolarHBondContact CB-O 3.04Å; R183-W238 VanDerWaalsContact CB-O 3.28Å; R183-W238 WeakPolarHBondContact CB-O 3.22Å; R183-W238 PolarHBondContact N-O 3.11Å; Y230-W238 HydrophobicContact CD1-CB 3.81Å; Y230-W238 AromaticContact CD1-CD1 3.81Å; Y230-W238 AromaticContact CD1-CD2 3.76Å; Y230-W238 HydrophobicContact CD1-CD2 3.76Å; Y230-W238 HydrophobicContact CD1-CE3 4.31Å; Y230-W238 AromaticContact CD1-CG 3.51Å; Y230-W238 HydrophobicContact CD1-CG 3.51Å; Y230-W238 HydrophobicContact CE1-CB 4.2Å; Y230-W238 AromaticContact CE1-CD2 3.71Å; Y230-W238 HydrophobicContact CE1-CD2 3.71Å; Y230-W238 AromaticContact CE1-CE3 3.78Å; Y230-W238 HydrophobicContact CE1-CE3 3.78Å; Y230-W238 AromaticContact CE1-CG 3.91Å; Y230-W238 HydrophobicContact CE1-CG 3.91Å; Y230-W238 HydrophobicContact CE1-CZ3 4.45Å; N235-W238 HydrophobicContact CB-CB 4.2Å; N235-W238 WeakPolarHBondContact O-CB 3.18Å; N235-W238 PolarHBondContact O-N 2.83Å; N235-W238 PolarHBondContact OD1-N 3.32Å; N235-W238 VanDerWaalsContact OD1-N 3.1Å; R236-W238 VanDerWaalsContact C-N 3.33Å; W238-K240 HydrophobicContact CZ2-CB 4.23Å; W238-K240 PolarHBondContact NE1-O 3.32Å; W238-N241 WeakPolarHBondContact CZ2-O 3.47Å; W238-N241 PolarHBondContact NE1-O 3.35Å; W238-N241 VanDerWaalsContact NE1-O 3.08Å; W238-R242 VanDerWaalsContact CH2-NH1 3.34Å; W238-I251 HydrophobicContact CH2-CB 4.33Å; W238-I251 WeakPolarHBondContact CH2-O 3.17Å; W238-I251 HydrophobicContact CZ2-CG2 4.28Å; W238-I251 WeakPolarHBondContact CZ2-O 3.22Å
239	R	98.8	Very high	97.7	Very high	8 Å²	8	49.1 Å²	49.1	3%	0.03	23%	0.231	C	C	.	.			trans	-113.7	-49.2	-177.7	176.1	-173.5	167.9	75.4	1.9	112.2	H181 A182 E184 N224 D254 E276	H181-R239 WeakPolarHBondContact CA-O 3.01Å; H181-R239 HydrophobicContact CB-CG 3.98Å; H181-R239 PolarHBondContact CD2-NH2 2.92Å; H181-R239 PolarHBondContact CE1-NH1 3.42Å; H181-R239 PolarHBondContact CE1-NH2 2.86Å; H181-R239 PolarHBondContact ND1-NH1 2.7Å; H181-R239 PolarHBondContact NE2-NH1 2.88Å; H181-R239 PolarHBondContact NE2-NH2 3.03Å; A182-R239 PolarHBondContact N-O 3.34Å; E184-R239 IonicContact OE1-NH1 3.47Å; N224-R239 PolarHBondContact ND2-O 3.04Å; R239-D254 IonicContact CZ-OD2 3.49Å; R239-D254 IonicContact NE-OD2 3.98Å; R239-D254 PolarHBondContact NE-OD2 2.93Å; R239-D254 IonicContact NH2-OD1 3.85Å; R239-D254 IonicContact NH2-OD2 3.34Å; R239-D254 PolarHBondContact NH2-OD2 3.42Å; R239-E276 WeakPolarHBondContact CB-OE2 3.39Å
240	K	98.9	Very high	97.7	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.017	24%	0.24	C	C	.	.	S	Bend	trans	-70.4	175.6	-170.6	-63.1	-169	-62.9	173.1	0	113.2	N224 W238 I251 G252 T253 D254 S273 S275	N224-K240 PolarHBondContact ND2-O 2.76Å; W238-K240 HydrophobicContact CZ2-CB 4.23Å; W238-K240 PolarHBondContact NE1-O 3.32Å; K240-I251 WeakPolarHBondContact CE-O 3.34Å; K240-I251 PolarHBondContact NZ-O 3Å; K240-G252 WeakPolarHBondContact CD-O 3.46Å; K240-G252 VanDerWaalsContact CE-O 3.28Å; K240-G252 WeakPolarHBondContact CE-O 3.44Å; K240-G252 PolarHBondContact NZ-O 3.15Å; K240-T253 WeakPolarHBondContact CA-O 3.39Å; K240-T253 WeakPolarHBondContact CB-O 3.25Å; K240-D254 HydrophobicContact CG-CB 4.41Å; K240-S273 PolarHBondContact NZ-O 2.56Å; K240-S275 WeakPolarHBondContact CD-O 3.28Å; K240-S275 PolarHBondContact NZ-O 3.44Å
241	N	98.8	Very high	97.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.244	C	C	.	.			trans	-73.6	-165.9	164.5	79.2	-9.8	0	0	0	111.2	N224 W238 S243 G252 T253 L255 E286 E288	N224-N241 PolarHBondContact ND2-N 3.25Å; N224-N241 VanDerWaalsContact OD1-CA 3.25Å; N224-N241 WeakPolarHBondContact OD1-CA 3.46Å; N224-N241 WeakPolarHBondContact OD1-CB 3.26Å; W238-N241 WeakPolarHBondContact CZ2-O 3.47Å; W238-N241 PolarHBondContact NE1-O 3.35Å; W238-N241 VanDerWaalsContact NE1-O 3.08Å; N241-S243 PolarHBondContact OD1-N 3.27Å; N241-S243 PolarHBondContact OD1-OG 2.9Å; N241-S243 VanDerWaalsContact OD1-OG 3.12Å; N241-G252 VanDerWaalsContact O-CA 3.23Å; N241-G252 WeakPolarHBondContact O-CA 3.37Å; N241-G252 WeakPolarHBondContact OD1-CA 3.46Å; N241-T253 PolarHBondContact N-O 3.28Å; N241-T253 PolarHBondContact OD1-N 3.13Å; N241-T253 PolarHBondContact OD1-O 3Å; N241-L255 HydrophobicContact CB-CD2 3.99Å; N241-L255 HydrophobicContact CB-CG 4.21Å; N241-E286 PolarHBondContact ND2-OE2 2.97Å; N241-E288 PolarHBondContact ND2-OE2 2.8Å; N241-E288 VanDerWaalsContact ND2-OE2 3.1Å
242	R	98.8	Very high	97.7	Very high	31 Å²	31	50.3 Å²	50.3	12%	0.117	25%	0.245	C	C	.	.			trans	-116.2	18.7	-176.9	-62.3	-60.8	-59.7	161.5	0.9	114.2	E154 D226 W238 I251	E154-R242 HydrophobicContact CG-CB 4.36Å; E154-R242 VanDerWaalsContact OE1-CB 3.32Å; E154-R242 WeakPolarHBondContact OE1-CB 3.46Å; D226-R242 HydrophobicContact CB-CB 3.79Å; D226-R242 HydrophobicContact CB-CG 3.68Å; W238-R242 VanDerWaalsContact CH2-NH1 3.34Å; R242-I251 WeakPolarHBondContact O-CG2 3.34Å
243	S	98.7	Very high	97.7	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.014	24%	0.241	C	C	.	.			trans	-67.8	150.4	179.2	67.5	0	0	0	0	112.9	Y153 N241 I251 G252 E286	Y153-S243 VanDerWaalsContact CD2-CB 3.48Å; N241-S243 PolarHBondContact OD1-N 3.27Å; N241-S243 PolarHBondContact OD1-OG 2.9Å; N241-S243 VanDerWaalsContact OD1-OG 3.12Å; S243-I251 WeakPolarHBondContact O-CG2 3.47Å; S243-G252 PolarHBondContact O-N 3.04Å; S243-E286 WeakPolarHBondContact CB-OE2 3.43Å; S243-E286 PolarHBondContact OG-OE2 3.41Å
244	F	98.4	Very high	97.8	Very high	97 Å²	97	44.5 Å²	44.5	43%	0.425	22%	0.22	S	C	.	.			trans	-141.9	128.1	173.7	180	-102	0	0	0	109.6	Y153 N248 I251	Y153-F244 PolarHBondContact OH-O 3.39Å; F244-N248 HydrophobicContact CE2-CB 4.41Å; F244-N248 WeakPolarHBondContact CE2-O 3.42Å; F244-I251 HydrophobicContact CB-CG1 4.44Å; F244-I251 HydrophobicContact CD2-CG1 4.04Å
245	Y	97.1	Very high	97.9	Very high	45 Å²	45	40 Å²	40	18%	0.176	20%	0.2	C	C	.	.			trans	-118.1	152	-178.8	-58.2	-77.8	0	0	0	110.3	N247 N248 L281 S285 E286	Y245-N247 PolarHBondContact O-N 2.59Å; Y245-N248 WeakPolarHBondContact O-CB 3.45Å; Y245-N248 PolarHBondContact O-N 3.12Å; Y245-N248 VanDerWaalsContact O-N 3.11Å; Y245-L281 HydrophobicContact CD1-CD1 3.59Å; Y245-L281 HydrophobicContact CD2-CD1 3.93Å; Y245-L281 HydrophobicContact CD2-CG 3.97Å; Y245-L281 HydrophobicContact CE1-CD1 4.05Å; Y245-L281 HydrophobicContact CE2-CD1 4.36Å; Y245-L281 HydrophobicContact CE2-CG 4.36Å; Y245-L281 HydrophobicContact CG-CD1 3.53Å; Y245-L281 HydrophobicContact CG-CG 4.05Å; Y245-S285 PolarHBondContact OH-O 3.47Å; Y245-E286 WeakPolarHBondContact CE2-OE1 3.4Å; Y245-E286 PolarHBondContact OH-OE1 2.72Å; Y245-E286 PolarHBondContact OH-OE2 3.2Å
246	A	95.1	Very high	97.9	Very high	82 Å²	82	39 Å²	39	68%	0.678	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	139.5	175.8	0	0	0	0	0	110.7	N248	A246-N248 PolarHBondContact O-N 2.8Å
247	N	92.4	Very high	97.9	Very high	165 Å²	165	39.2 Å²	39.2	88%	0.882	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	-3.4	-176.3	-46.2	-50.2	0	0	0	116.3	Y245	Y245-N247 PolarHBondContact O-N 2.59Å
248	N	95.4	Very high	97.9	Very high	33 Å²	33	39.1 Å²	39.1	18%	0.176	20%	0.195	C	C	.	.			trans	-75.1	145.4	166.6	-79.4	2.2	0	0	0	110.8	F244 Y245 A246 Y278	F244-N248 HydrophobicContact CE2-CB 4.41Å; F244-N248 WeakPolarHBondContact CE2-O 3.42Å; Y245-N248 WeakPolarHBondContact O-CB 3.45Å; Y245-N248 PolarHBondContact O-N 3.12Å; Y245-N248 VanDerWaalsContact O-N 3.11Å; A246-N248 PolarHBondContact O-N 2.8Å; N248-Y278 PolarHBondContact ND2-OH 3.19Å
249	R	97.1	Very high	98	Very high	202 Å²	202	37.8 Å²	37.8	76%	0.762	19%	0.19	S	C	*	.	S	Bend	trans	-88.9	-25.4	177.3	-66.2	-171.6	-176.2	-179.5	-0.2	113.1	S273	R249-S273 PolarHBondContact N-OG 3.32Å
250	C	98.3	Very high	97.9	Very high	43 Å²	43	39.4 Å²	39.4	29%	0.291	21%	0.206	S	C	.	.	S	Bend	trans	-135.2	160.3	-174.1	-65.1	0	0	0	0	111.2	S273 C274	C250-S273 WeakPolarHBondContact CB-O 3.3Å; C250-S273 PolarHBondContact N-OG 3.04Å; C250-S273 VanDerWaalsContact N-OG 3.1Å; C250-C274 HydrophobicContact CB-CB 3.72Å; C250-C274 WeakPolarHBondContact CB-SG 3.41Å; C250-C274 VanDerWaalsContact SG-CA 3.54Å; C250-C274 WeakPolarHBondContact SG-CB 3.06Å; C250-C274 CovalentContact SG-SG 2.03Å; C250-C274 PolarHBondContact SG-SG 3Å
251	I	98.8	Very high	97.8	Very high	59 Å²	59	39.5 Å²	39.5	30%	0.303	21%	0.207	S	C	.	.			trans	-87.3	145.1	-177.3	-61.5	170.3	0	0	0	110	W238 K240 R242 S243 F244	W238-I251 HydrophobicContact CH2-CB 4.33Å; W238-I251 WeakPolarHBondContact CH2-O 3.17Å; W238-I251 HydrophobicContact CZ2-CG2 4.28Å; W238-I251 WeakPolarHBondContact CZ2-O 3.22Å; K240-I251 WeakPolarHBondContact CE-O 3.34Å; K240-I251 PolarHBondContact NZ-O 3Å; R242-I251 WeakPolarHBondContact O-CG2 3.34Å; S243-I251 WeakPolarHBondContact O-CG2 3.47Å; F244-I251 HydrophobicContact CB-CG1 4.44Å; F244-I251 HydrophobicContact CD2-CG1 4.04Å
252	G	98.8	Very high	97.6	Very high	2 Å²	2	46.6 Å²	46.6	2%	0.021	24%	0.237	C	C	.	.			trans	89.6	144.9	165.7	0	0	0	0	0	114.4	K240 N241 S243 Y278	K240-G252 WeakPolarHBondContact CD-O 3.46Å; K240-G252 VanDerWaalsContact CE-O 3.28Å; K240-G252 WeakPolarHBondContact CE-O 3.44Å; K240-G252 PolarHBondContact NZ-O 3.15Å; N241-G252 VanDerWaalsContact O-CA 3.23Å; N241-G252 WeakPolarHBondContact O-CA 3.37Å; N241-G252 WeakPolarHBondContact OD1-CA 3.46Å; S243-G252 PolarHBondContact O-N 3.04Å; G252-Y278 WeakPolarHBondContact O-CD1 3.23Å
253	T	98.9	Very high	97.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.246	C	C	.	.			trans	-112.2	142	171.3	-65.3	0	0	0	0	109.3	K240 N241 L255 N258 Y278 E286	K240-T253 WeakPolarHBondContact CA-O 3.39Å; K240-T253 WeakPolarHBondContact CB-O 3.25Å; N241-T253 PolarHBondContact N-O 3.28Å; N241-T253 PolarHBondContact OD1-N 3.13Å; N241-T253 PolarHBondContact OD1-O 3Å; T253-L255 PolarHBondContact O-N 3.44Å; T253-N258 HydrophobicContact CG2-CB 4.07Å; T253-Y278 HydrophobicContact CG2-CD1 4.49Å; T253-Y278 WeakPolarHBondContact CG2-O 3.34Å; T253-Y278 WeakPolarHBondContact OG1-CD1 3.25Å; T253-Y278 WeakPolarHBondContact OG1-CE1 3.28Å; T253-E286 WeakPolarHBondContact CB-OE1 3.46Å; T253-E286 HydrophobicContact CG2-CG 3.44Å; T253-E286 VanDerWaalsContact CG2-CG 3.44Å; T253-E286 PolarHBondContact OG1-OE1 3.43Å; T253-E286 PolarHBondContact OG1-OE2 3.4Å
254	D	98.9	Very high	97.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.256	C	S	.	.			trans	-71.7	108.6	167.7	-172.8	-19.3	0	0	0	108.4	H181 R239 K240 N256 R257 N258 E276 Y278	H181-D254 IonicContact CD2-OD1 3.31Å; H181-D254 IonicContact NE2-OD1 2.7Å; H181-D254 PolarHBondContact NE2-OD1 3.48Å; R239-D254 IonicContact CZ-OD2 3.49Å; R239-D254 IonicContact NE-OD2 3.98Å; R239-D254 PolarHBondContact NE-OD2 2.93Å; R239-D254 IonicContact NH2-OD1 3.85Å; R239-D254 IonicContact NH2-OD2 3.34Å; R239-D254 PolarHBondContact NH2-OD2 3.42Å; K240-D254 HydrophobicContact CG-CB 4.41Å; D254-N256 PolarHBondContact O-N 3.19Å; D254-N256 PolarHBondContact OD1-N 3.03Å; D254-R257 HydrophobicContact CB-CB 4.08Å; D254-R257 HydrophobicContact CB-CG 3.88Å; D254-R257 PolarHBondContact O-N 2.96Å; D254-N258 PolarHBondContact O-N 2.98Å; D254-E276 WeakPolarHBondContact CB-O 3.44Å; D254-Y278 PolarHBondContact N-O 2.79Å
255	L	98.9	Very high	97.5	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-58.9	-32.9	-178.7	-65.4	-169.2	0	0	0	111.7	I180 V223 N224 N241 T253 R257 N258 F259 E286 E288	I180-L255 HydrophobicContact CG2-CB 3.83Å; V223-L255 HydrophobicContact CG1-CD1 3.91Å; N224-L255 HydrophobicContact CB-CD1 3.66Å; N241-L255 HydrophobicContact CB-CD2 3.99Å; N241-L255 HydrophobicContact CB-CG 4.21Å; T253-L255 PolarHBondContact O-N 3.44Å; L255-R257 PolarHBondContact O-N 2.75Å; L255-N258 PolarHBondContact O-N 3.16Å; L255-F259 VanDerWaalsContact O-CD2 3.24Å; L255-F259 WeakPolarHBondContact O-CD2 3.18Å; L255-F259 VanDerWaalsContact O-CE2 3.24Å; L255-F259 WeakPolarHBondContact O-CE2 3.45Å; L255-E286 HydrophobicContact CD2-CB 3.54Å; L255-E286 HydrophobicContact CD2-CG 3.72Å; L255-E288 HydrophobicContact CD1-CB 3.86Å; L255-E288 HydrophobicContact CD1-CG 4.39Å; L255-E288 HydrophobicContact CD2-CB 4.41Å
256	N	98.7	Very high	97.5	Very high	15 Å²	15	50.6 Å²	50.6	8%	0.08	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-84.8	17.9	177.2	-147.1	20.2	0	0	0	113.3	I180 H181 D254 G367 G368 A369	I180-N256 HydrophobicContact CG2-CB 3.87Å; H181-N256 WeakPolarHBondContact NE2-CB 3.01Å; D254-N256 PolarHBondContact O-N 3.19Å; D254-N256 PolarHBondContact OD1-N 3.03Å; N256-G367 CarbonylContact C-O 3.6Å; N256-G367 CarbonylContact O-C 3.32Å; N256-G368 VanDerWaalsContact OD1-CA 3.27Å; N256-G368 WeakPolarHBondContact OD1-CA 3.48Å; N256-A369 PolarHBondContact OD1-N 3.02Å; N256-A369 VanDerWaalsContact OD1-N 3.16Å
257	R	98.8	Very high	97.5	Very high	3 Å²	3	53.7 Å²	53.7	1%	0.011	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-123.2	4.8	164.7	-61.6	-62.1	-177.6	-83	-1.3	112	D254 L255 W264 G268 A269 C279 Y363 A365 P366 G367	D254-R257 HydrophobicContact CB-CB 4.08Å; D254-R257 HydrophobicContact CB-CG 3.88Å; D254-R257 PolarHBondContact O-N 2.96Å; L255-R257 PolarHBondContact O-N 2.75Å; R257-W264 PolarHBondContact O-NE1 2.98Å; R257-G268 PolarHBondContact NE-O 2.99Å; R257-A269 HydrophobicContact CB-CB 4.42Å; R257-A269 HydrophobicContact CG-CB 4.32Å; R257-C279 HydrophobicContact CB-CB 4.28Å; R257-Y363 VanDerWaalsContact NH2-CE2 3.28Å; R257-A365 VanDerWaalsContact CZ-CB 3.45Å; R257-A365 VanDerWaalsContact NH2-CB 3.28Å; R257-P366 WeakPolarHBondContact CD-O 3.43Å; R257-G367 CarbonylContact C-O 3.54Å; R257-G367 VanDerWaalsContact C-O 3.3Å; R257-G367 WeakPolarHBondContact CA-O 3.25Å
258	N	98.9	Very high	97.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.224	C	C	.	.			trans	-106.1	-9.2	-170.8	-164.3	-114.5	0	0	0	114.2	T253 D254 L255 C279 Y282 P283 E284 S285 E286 A289 G367	T253-N258 HydrophobicContact CG2-CB 4.07Å; D254-N258 PolarHBondContact O-N 2.98Å; L255-N258 PolarHBondContact O-N 3.16Å; N258-C279 PolarHBondContact ND2-O 2.83Å; N258-Y282 PolarHBondContact ND2-O 2.57Å; N258-P283 CarbonylContact O-C 3.55Å; N258-P283 WeakPolarHBondContact O-CA 3.42Å; N258-E284 PolarHBondContact O-N 3.02Å; N258-E284 WeakPolarHBondContact OD1-CA 3.45Å; N258-E284 PolarHBondContact OD1-N 3.38Å; N258-S285 PolarHBondContact ND2-OG 2.86Å; N258-S285 PolarHBondContact OD1-N 2.8Å; N258-S285 VanDerWaalsContact OD1-N 3.13Å; N258-E286 HydrophobicContact CB-CG 4.29Å; N258-E286 WeakPolarHBondContact OD1-CG 3.17Å; N258-E286 PolarHBondContact OD1-N 2.92Å; N258-E286 VanDerWaalsContact OD1-N 3.09Å; N258-A289 HydrophobicContact CB-CB 4.39Å; N258-G367 PolarHBondContact N-O 3.14Å
259	F	98.8	Very high	97.7	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	22%	0.224	C	C	.	.	S	Bend	trans	-74.9	154.5	179.3	-68.1	-97.9	0	0	0	112.3	L255 S261 A289 V292 A293 G367 A369 W372	L255-F259 VanDerWaalsContact O-CD2 3.24Å; L255-F259 WeakPolarHBondContact O-CD2 3.18Å; L255-F259 VanDerWaalsContact O-CE2 3.24Å; L255-F259 WeakPolarHBondContact O-CE2 3.45Å; F259-S261 PolarHBondContact O-N 3.11Å; F259-A289 HydrophobicContact CE1-CB 4.44Å; F259-A289 HydrophobicContact CE2-CB 4.18Å; F259-A289 HydrophobicContact CZ-CB 4.08Å; F259-V292 HydrophobicContact CE1-CB 4.42Å; F259-V292 HydrophobicContact CE1-CG1 4.1Å; F259-V292 HydrophobicContact CZ-CG1 4.28Å; F259-A293 HydrophobicContact CD1-CB 4.45Å; F259-A293 HydrophobicContact CE1-CB 4.41Å; F259-G367 WeakPolarHBondContact CB-O 3.46Å; F259-G367 PolarHBondContact N-O 3.05Å; F259-G367 WeakPolarHBondContact O-CA 3.39Å; F259-A369 HydrophobicContact CD1-CB 3.95Å; F259-A369 HydrophobicContact CD2-CB 3.67Å; F259-A369 HydrophobicContact CE1-CB 3.88Å; F259-A369 HydrophobicContact CE2-CB 3.62Å; F259-A369 HydrophobicContact CG-CB 3.85Å; F259-A369 HydrophobicContact CZ-CB 3.72Å; F259-W372 HydrophobicContact CB-CB 3.83Å; F259-W372 HydrophobicContact CB-CD2 4.35Å; F259-W372 HydrophobicContact CB-CG 4.04Å; F259-W372 HydrophobicContact CD1-CD2 4.06Å; F259-W372 AromaticContact CD1-CE3 3.6Å; F259-W372 HydrophobicContact CD1-CE3 3.6Å; F259-W372 HydrophobicContact CD1-CZ3 4.06Å; F259-W372 HydrophobicContact CE1-CE3 4.25Å; F259-W372 HydrophobicContact CE1-CZ3 4.32Å; F259-W372 HydrophobicContact CG-CE3 4.43Å
260	A	98.5	Very high	97.8	Very high	43 Å²	43	37.6 Å²	37.6	36%	0.355	20%	0.198	S	C	.	.			trans	-78.8	46.6	-173.1	0	0	0	0	0	114.6	P283 W372	A260-P283 HydrophobicContact CB-CB 3.73Å; A260-W372 VanDerWaalsContact C-CD1 3.46Å
261	S	96.9	Very high	97.7	Very high	5 Å²	5	40.5 Å²	40.5	4%	0.035	22%	0.219	C	C	.	.			trans	-68.4	157.7	169	75.1	0	0	0	0	111.1	F259 H263 W264 G367	F259-S261 PolarHBondContact O-N 3.11Å; S261-H263 PolarHBondContact O-N 2.74Å; S261-W264 PolarHBondContact O-N 2.84Å; S261-G367 VanDerWaalsContact OG-CA 3.29Å; S261-G367 WeakPolarHBondContact OG-CA 3.13Å; S261-G367 PolarHBondContact OG-N 3.32Å
262	K	93.6	Very high	97.7	Very high	149 Å²	149	42.6 Å²	42.6	65%	0.648	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-43	-174.3	-71.5	177.2	-173.7	160.5	0	115.4	D375	K262-D375 IonicContact NZ-OD1 3.96Å
263	H	96.5	Very high	97.7	Very high	64 Å²	64	42.8 Å²	42.8	30%	0.296	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	34	-174	-68.3	-85.9	0	0	0	112.5	S261 C265 E266 Y322 P366	S261-H263 PolarHBondContact O-N 2.74Å; H263-C265 PolarHBondContact O-N 2.94Å; H263-E266 HydrophobicContact CB-CB 4.31Å; H263-E266 HydrophobicContact CB-CG 4.21Å; H263-E266 IonicContact CE1-OE2 2.61Å; H263-E266 IonicContact CG-OE1 2.74Å; H263-E266 IonicContact CG-OE2 3.97Å; H263-E266 IonicContact ND1-OE1 3.32Å; H263-E266 PolarHBondContact ND1-OE1 3.08Å; H263-E266 VanDerWaalsContact ND1-OE1 3.14Å; H263-E266 IonicContact ND1-OE2 3.62Å; H263-E266 PolarHBondContact ND1-OE2 3.49Å; H263-E266 WeakPolarHBondContact O-CB 3.37Å; H263-E266 WeakPolarHBondContact O-CG 3.42Å; H263-E266 PolarHBondContact O-N 3.36Å; H263-E266 VanDerWaalsContact O-N 3.12Å; H263-Y322 HydrophobicContact CB-CD2 4.19Å; H263-Y322 HydrophobicContact CB-CG 4.37Å; H263-Y322 AromaticContact CD2-CD2 3.2Å; H263-Y322 WeakPolarHBondContact CD2-CD2 3.42Å; H263-Y322 AromaticContact CD2-CE2 3.38Å; H263-Y322 WeakPolarHBondContact CD2-CE2 3.47Å; H263-Y322 AromaticContact CG-CD2 3.97Å; H263-P366 HydrophobicContact CB-CB 4.36Å; H263-P366 WeakPolarHBondContact O-CB 3.3Å
264	W	98.5	Very high	97.6	Very high	60 Å²	60	44.9 Å²	44.9	23%	0.227	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	132.8	-176.4	173.4	85.6	0	0	0	112.1	R257 S261 E266 C279 G280 Y282 P283	R257-W264 PolarHBondContact O-NE1 2.98Å; S261-W264 PolarHBondContact O-N 2.84Å; W264-E266 PolarHBondContact O-N 2.67Å; W264-C279 HydrophobicContact CZ2-CB 3.94Å; W264-C279 WeakPolarHBondContact CZ2-O 3.39Å; W264-C279 WeakPolarHBondContact CZ2-SG 2.99Å; W264-C279 PolarHBondContact NE1-O 3.05Å; W264-G280 WeakPolarHBondContact CZ2-O 3.5Å; W264-Y282 VanDerWaalsContact CH2-CA 3.43Å; W264-Y282 VanDerWaalsContact CZ2-C 3.47Å; W264-Y282 VanDerWaalsContact CZ2-CA 3.47Å; W264-P283 HydrophobicContact CB-CG 4.13Å; W264-P283 HydrophobicContact CD2-CG 3.64Å; W264-P283 HydrophobicContact CE3-CG 4.03Å; W264-P283 HydrophobicContact CG-CB 4.4Å; W264-P283 HydrophobicContact CG-CG 3.67Å
265	C	98	Very high	97.6	Very high	30 Å²	30	45.9 Å²	45.9	20%	0.203	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	16.7	-179	-148.3	0	0	0	0	116.6	H263 C279	H263-C265 PolarHBondContact O-N 2.94Å; C265-C279 HydrophobicContact CB-CB 3.54Å; C265-C279 WeakPolarHBondContact CB-SG 3.13Å; C265-C279 WeakPolarHBondContact SG-CB 3.4Å; C265-C279 CovalentContact SG-SG 2.02Å; C265-C279 PolarHBondContact SG-SG 2.78Å
266	E	97.6	Very high	97.6	Very high	106 Å²	106	48.1 Å²	48.1	50%	0.495	26%	0.258	S	S	.	.	S	Bend	trans	-81.7	-159.6	170	-62.5	-177.3	-159.7	0	0	112	H263 W264 G268 A269	H263-E266 HydrophobicContact CB-CB 4.31Å; H263-E266 HydrophobicContact CB-CG 4.21Å; H263-E266 IonicContact CE1-OE2 2.61Å; H263-E266 IonicContact CG-OE1 2.74Å; H263-E266 IonicContact CG-OE2 3.97Å; H263-E266 IonicContact ND1-OE1 3.32Å; H263-E266 PolarHBondContact ND1-OE1 3.08Å; H263-E266 VanDerWaalsContact ND1-OE1 3.14Å; H263-E266 IonicContact ND1-OE2 3.62Å; H263-E266 PolarHBondContact ND1-OE2 3.49Å; H263-E266 WeakPolarHBondContact O-CB 3.37Å; H263-E266 WeakPolarHBondContact O-CG 3.42Å; H263-E266 PolarHBondContact O-N 3.36Å; H263-E266 VanDerWaalsContact O-N 3.12Å; W264-E266 PolarHBondContact O-N 2.67Å; E266-G268 PolarHBondContact O-N 3.25Å; E266-A269 PolarHBondContact O-N 3.28Å
267	E	95.3	Very high	97.6	Very high	147 Å²	147	47.6 Å²	47.6	69%	0.687	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	126.6	-178.8	-172.1	-175.7	167.3	0	0	111.7	L364 P366	E267-L364 HydrophobicContact CB-CD1 4.16Å; E267-L364 HydrophobicContact CG-CD1 3.87Å; E267-L364 WeakPolarHBondContact O-CB 3.29Å; E267-P366 WeakPolarHBondContact O-CD 3.13Å; E267-P366 WeakPolarHBondContact O-CG 3.49Å
268	G	94.3	Very high	97.6	Very high	10 Å²	10	47.8 Å²	47.8	10%	0.103	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.2	-4	-173.5	0	0	0	0	0	114.9	R257 E266 L364	R257-G268 PolarHBondContact NE-O 2.99Å; E266-G268 PolarHBondContact O-N 3.25Å; G268-L364 WeakPolarHBondContact CA-O 3.41Å
269	A	97.9	Very high	97.6	Very high	22 Å²	22	47.9 Å²	47.9	18%	0.182	26%	0.257	C	S	.	.	S	Bend	trans	-129	176.4	170.3	0	0	0	0	0	110.9	R257 E266 C279 P366	R257-A269 HydrophobicContact CB-CB 4.42Å; R257-A269 HydrophobicContact CG-CB 4.32Å; E266-A269 PolarHBondContact O-N 3.28Å; A269-C279 HydrophobicContact CB-CB 4.2Å; A269-P366 HydrophobicContact CB-CG 3.98Å
270	S	98.3	Very high	97.5	Very high	30 Å²	30	48 Å²	48	21%	0.21	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-136.7	141.3	177.5	-173.5	0	0	0	0	111.8	F272 S275 T277 Y278 C279	S270-F272 VanDerWaalsContact C-N 3.29Å; S270-F272 PolarHBondContact OG-N 2.81Å; S270-F272 VanDerWaalsContact OG-N 3.12Å; S270-S275 VanDerWaalsContact CB-CB 3.4Å; S270-S275 WeakPolarHBondContact CB-OG 3.21Å; S270-S275 WeakPolarHBondContact OG-CB 3.31Å; S270-T277 PolarHBondContact N-O 3.29Å; S270-Y278 CarbonylContact O-C 3.49Å; S270-Y278 VanDerWaalsContact O-CA 3.26Å; S270-Y278 WeakPolarHBondContact O-CA 3.31Å; S270-Y278 WeakPolarHBondContact O-CD2 3.13Å; S270-C279 PolarHBondContact O-N 3.44Å; S270-C279 PolarHBondContact O-SG 2.81Å; S270-C279 VanDerWaalsContact O-SG 3.37Å
271	S	98	Very high	97.5	Very high	104 Å²	104	49.7 Å²	49.7	73%	0.727	26%	0.261	S	S	*	.	S	Bend	trans	-84.6	-3	168.4	58.1	0	0	0	0	112.9	Y278	S271-Y278 WeakPolarHBondContact O-CE2 3.3Å
272	F	98	Very high	97.6	Very high	102 Å²	102	55.9 Å²	55.9	45%	0.447	29%	0.285	S	S	.	.	S	Bend	trans	-92.2	119.3	-179.6	-175.3	-127.9	0	0	0	111.1	S270 C274 S275	S270-F272 VanDerWaalsContact C-N 3.29Å; S270-F272 PolarHBondContact OG-N 2.81Å; S270-F272 VanDerWaalsContact OG-N 3.12Å; F272-C274 HydrophobicContact CD1-CB 3.91Å; F272-C274 HydrophobicContact CE1-CB 3.43Å; F272-C274 VanDerWaalsContact CE1-CB 3.43Å; F272-C274 HydrophobicContact CZ-CB 3.85Å; F272-C274 PolarHBondContact O-N 3.21Å; F272-S275 WeakPolarHBondContact O-CB 3.29Å; F272-S275 PolarHBondContact O-N 2.98Å
273	S	98.4	Very high	97.9	Very high	6 Å²	6	51.1 Å²	51.1	4%	0.042	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.1	-173.3	65.9	0	0	0	0	115.1	K240 R249 C250	K240-S273 PolarHBondContact NZ-O 2.56Å; R249-S273 PolarHBondContact N-OG 3.32Å; C250-S273 WeakPolarHBondContact CB-O 3.3Å; C250-S273 PolarHBondContact N-OG 3.04Å; C250-S273 VanDerWaalsContact N-OG 3.1Å
274	C	97.8	Very high	98	Very high	45 Å²	45	48.8 Å²	48.8	30%	0.304	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-7.7	178.9	-52.6	0	0	0	0	113.5	C250 F272	C250-C274 HydrophobicContact CB-CB 3.72Å; C250-C274 WeakPolarHBondContact CB-SG 3.41Å; C250-C274 VanDerWaalsContact SG-CA 3.54Å; C250-C274 WeakPolarHBondContact SG-CB 3.06Å; C250-C274 CovalentContact SG-SG 2.03Å; C250-C274 PolarHBondContact SG-SG 3Å; F272-C274 HydrophobicContact CD1-CB 3.91Å; F272-C274 HydrophobicContact CE1-CB 3.43Å; F272-C274 VanDerWaalsContact CE1-CB 3.43Å; F272-C274 HydrophobicContact CZ-CB 3.85Å; F272-C274 PolarHBondContact O-N 3.21Å
275	S	98.3	Very high	98	Very high	20 Å²	20	46.5 Å²	46.5	14%	0.14	25%	0.252	C	S	.	.	S	Bend	trans	-67.6	145.9	169.7	-175.6	0	0	0	0	110.5	K240 S270 F272 T277 Y278	K240-S275 WeakPolarHBondContact CD-O 3.28Å; K240-S275 PolarHBondContact NZ-O 3.44Å; S270-S275 VanDerWaalsContact CB-CB 3.4Å; S270-S275 WeakPolarHBondContact CB-OG 3.21Å; S270-S275 WeakPolarHBondContact OG-CB 3.31Å; F272-S275 WeakPolarHBondContact O-CB 3.29Å; F272-S275 PolarHBondContact O-N 2.98Å; S275-T277 PolarHBondContact O-N 3.06Å; S275-T277 PolarHBondContact OG-N 3.11Å; S275-T277 VanDerWaalsContact OG-N 3.11Å; S275-T277 PolarHBondContact OG-OG1 2.88Å; S275-Y278 PolarHBondContact O-N 2.91Å
276	E	98.3	Very high	98	Very high	48 Å²	48	45 Å²	45	22%	0.224	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.7	168.3	-71.7	-58.9	150.2	0	0	112.7	V57 R239 D254	V57-E276 HydrophobicContact CG2-CB 4.13Å; R239-E276 WeakPolarHBondContact CB-OE2 3.39Å; D254-E276 WeakPolarHBondContact CB-O 3.44Å
277	T	98.4	Very high	98.1	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.031	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	27	176.4	56.7	0	0	0	0	112.5	V57 T58 S270 S275 C279	V57-T277 HydrophobicContact CB-CG2 4.37Å; V57-T277 HydrophobicContact CG1-CG2 3.54Å; V57-T277 HydrophobicContact CG2-CG2 3.87Å; T58-T277 HydrophobicContact CG2-CG2 3.85Å; S270-T277 PolarHBondContact N-O 3.29Å; S275-T277 PolarHBondContact O-N 3.06Å; S275-T277 PolarHBondContact OG-N 3.11Å; S275-T277 VanDerWaalsContact OG-N 3.11Å; S275-T277 PolarHBondContact OG-OG1 2.88Å; T277-C279 PolarHBondContact O-N 2.99Å
278	Y	98.8	Very high	98.3	Very high	7 Å²	7	34.7 Å²	34.7	3%	0.027	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-57	124.2	175.9	175.9	-125.5	0	0	0	110.5	N248 G252 T253 D254 S270 S271 S275 G280	N248-Y278 PolarHBondContact ND2-OH 3.19Å; G252-Y278 WeakPolarHBondContact O-CD1 3.23Å; T253-Y278 HydrophobicContact CG2-CD1 4.49Å; T253-Y278 WeakPolarHBondContact CG2-O 3.34Å; T253-Y278 WeakPolarHBondContact OG1-CD1 3.25Å; T253-Y278 WeakPolarHBondContact OG1-CE1 3.28Å; D254-Y278 PolarHBondContact N-O 2.79Å; S270-Y278 CarbonylContact O-C 3.49Å; S270-Y278 VanDerWaalsContact O-CA 3.26Å; S270-Y278 WeakPolarHBondContact O-CA 3.31Å; S270-Y278 WeakPolarHBondContact O-CD2 3.13Å; S271-Y278 WeakPolarHBondContact O-CE2 3.3Å; S275-Y278 PolarHBondContact O-N 2.91Å; Y278-G280 VanDerWaalsContact C-N 3.35Å; Y278-G280 PolarHBondContact O-N 3.12Å
279	C	98.7	Very high	98.5	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.007	19%	0.192	C	C	.	.			trans	-82.2	-8	-170.9	66.7	0	0	0	0	114.7	R257 N258 W264 C265 A269 S270 T277	R257-C279 HydrophobicContact CB-CB 4.28Å; N258-C279 PolarHBondContact ND2-O 2.83Å; W264-C279 HydrophobicContact CZ2-CB 3.94Å; W264-C279 WeakPolarHBondContact CZ2-O 3.39Å; W264-C279 WeakPolarHBondContact CZ2-SG 2.99Å; W264-C279 PolarHBondContact NE1-O 3.05Å; C265-C279 HydrophobicContact CB-CB 3.54Å; C265-C279 WeakPolarHBondContact CB-SG 3.13Å; C265-C279 WeakPolarHBondContact SG-CB 3.4Å; C265-C279 CovalentContact SG-SG 2.02Å; C265-C279 PolarHBondContact SG-SG 2.78Å; A269-C279 HydrophobicContact CB-CB 4.2Å; S270-C279 PolarHBondContact O-N 3.44Å; S270-C279 PolarHBondContact O-SG 2.81Å; S270-C279 VanDerWaalsContact O-SG 3.37Å; T277-C279 PolarHBondContact O-N 2.99Å
280	G	98.6	Very high	98.5	Very high	4 Å²	4	37.1 Å²	37.1	4%	0.041	20%	0.2	C	C	.	.			trans	90.7	179.6	-174.3	0	0	0	0	0	112.9	W264 Y278	W264-G280 WeakPolarHBondContact CZ2-O 3.5Å; Y278-G280 VanDerWaalsContact C-N 3.35Å; Y278-G280 PolarHBondContact O-N 3.12Å
281	L	98.4	Very high	98.6	Very high	79 Å²	79	36.1 Å²	36.1	41%	0.414	19%	0.193	S	C	.	.	S	Bend	trans	-71	-33.7	-178.3	-67.3	178.8	0	0	0	112.5	Y245 S285	Y245-L281 HydrophobicContact CD1-CD1 3.59Å; Y245-L281 HydrophobicContact CD2-CD1 3.93Å; Y245-L281 HydrophobicContact CD2-CG 3.97Å; Y245-L281 HydrophobicContact CE1-CD1 4.05Å; Y245-L281 HydrophobicContact CE2-CD1 4.36Å; Y245-L281 HydrophobicContact CE2-CG 4.36Å; Y245-L281 HydrophobicContact CG-CD1 3.53Å; Y245-L281 HydrophobicContact CG-CG 4.05Å; L281-S285 PolarHBondContact N-OG 3.24Å
282	Y	98.7	Very high	98.6	Very high	134 Å²	134	31.2 Å²	31.2	53%	0.525	16%	0.159	S	C	.	.	S	Bend	trans	-165.1	167.4	179.9	49	-99	0	0	0	108.4	N258 W264 E284 S285	N258-Y282 PolarHBondContact ND2-O 2.57Å; W264-Y282 VanDerWaalsContact CH2-CA 3.43Å; W264-Y282 VanDerWaalsContact CZ2-C 3.47Å; W264-Y282 VanDerWaalsContact CZ2-CA 3.47Å; Y282-E284 PolarHBondContact O-N 3.08Å; Y282-S285 VanDerWaalsContact O-CB 3.26Å; Y282-S285 WeakPolarHBondContact O-CB 3.49Å; Y282-S285 PolarHBondContact O-N 2.92Å; Y282-S285 PolarHBondContact O-OG 3Å
283	P	98.8	Very high	98.7	Very high	49 Å²	49	26.4 Å²	26.4	32%	0.318	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	129.8	176.3	-24.2	31.7	0	0	0	112.7	N258 A260 W264 S285	N258-P283 CarbonylContact O-C 3.55Å; N258-P283 WeakPolarHBondContact O-CA 3.42Å; A260-P283 HydrophobicContact CB-CB 3.73Å; W264-P283 HydrophobicContact CB-CG 4.13Å; W264-P283 HydrophobicContact CD2-CG 3.64Å; W264-P283 HydrophobicContact CE3-CG 4.03Å; W264-P283 HydrophobicContact CG-CB 4.4Å; W264-P283 HydrophobicContact CG-CG 3.67Å; P283-S285 VanDerWaalsContact C-N 3.26Å; P283-S285 PolarHBondContact O-N 3.11Å
284	E	98.8	Very high	98.7	Very high	15 Å²	15	28.9 Å²	28.9	7%	0.07	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	31.9	-176.4	-47.5	171.1	-167.8	0	0	113	N258 Y282 K290 A293 R297	N258-E284 PolarHBondContact O-N 3.02Å; N258-E284 WeakPolarHBondContact OD1-CA 3.45Å; N258-E284 PolarHBondContact OD1-N 3.38Å; Y282-E284 PolarHBondContact O-N 3.08Å; E284-K290 HydrophobicContact CB-CB 4.36Å; E284-K290 HydrophobicContact CB-CD 3.71Å; E284-K290 WeakPolarHBondContact OE2-CD 3.39Å; E284-K290 IonicContact OE2-NZ 3.35Å; E284-K290 PolarHBondContact OE2-NZ 2.98Å; E284-A293 HydrophobicContact CG-CB 4.24Å; E284-R297 IonicContact OE1-CZ 3.01Å; E284-R297 IonicContact OE1-NH1 3.58Å; E284-R297 PolarHBondContact OE1-NH1 3.45Å; E284-R297 IonicContact OE1-NH2 2.95Å; E284-R297 PolarHBondContact OE1-NH2 2.97Å; E284-R297 IonicContact OE2-CZ 3.58Å; E284-R297 IonicContact OE2-NH1 2.65Å; E284-R297 IonicContact OE2-NH2 2.88Å; E284-R297 PolarHBondContact OE2-NH2 3.42Å
285	S	98.8	Very high	98.7	Very high	12 Å²	12	27.2 Å²	27.2	8%	0.084	14%	0.139	C	C	.	.			trans	-63.3	-31.9	168.8	59.9	0	0	0	0	112.2	Y245 N258 L281 Y282 P283	Y245-S285 PolarHBondContact OH-O 3.47Å; N258-S285 PolarHBondContact ND2-OG 2.86Å; N258-S285 PolarHBondContact OD1-N 2.8Å; N258-S285 VanDerWaalsContact OD1-N 3.13Å; L281-S285 PolarHBondContact N-OG 3.24Å; Y282-S285 VanDerWaalsContact O-CB 3.26Å; Y282-S285 WeakPolarHBondContact O-CB 3.49Å; Y282-S285 PolarHBondContact O-N 2.92Å; Y282-S285 PolarHBondContact O-OG 3Å; P283-S285 VanDerWaalsContact C-N 3.26Å; P283-S285 PolarHBondContact O-N 3.11Å
286	E	98.9	Very high	98.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-81.1	131.7	-177.9	-51.3	-45.8	122.3	0	0	111	N241 S243 Y245 T253 L255 N258 E288 A289 K290	N241-E286 PolarHBondContact ND2-OE2 2.97Å; S243-E286 WeakPolarHBondContact CB-OE2 3.43Å; S243-E286 PolarHBondContact OG-OE2 3.41Å; Y245-E286 WeakPolarHBondContact CE2-OE1 3.4Å; Y245-E286 PolarHBondContact OH-OE1 2.72Å; Y245-E286 PolarHBondContact OH-OE2 3.2Å; T253-E286 WeakPolarHBondContact CB-OE1 3.46Å; T253-E286 HydrophobicContact CG2-CG 3.44Å; T253-E286 VanDerWaalsContact CG2-CG 3.44Å; T253-E286 PolarHBondContact OG1-OE1 3.43Å; T253-E286 PolarHBondContact OG1-OE2 3.4Å; L255-E286 HydrophobicContact CD2-CB 3.54Å; L255-E286 HydrophobicContact CD2-CG 3.72Å; N258-E286 HydrophobicContact CB-CG 4.29Å; N258-E286 WeakPolarHBondContact OD1-CG 3.17Å; N258-E286 PolarHBondContact OD1-N 2.92Å; N258-E286 VanDerWaalsContact OD1-N 3.09Å; E286-E288 PolarHBondContact O-N 2.97Å; E286-A289 HydrophobicContact CB-CB 4.2Å; E286-A289 PolarHBondContact O-N 3.44Å; E286-K290 WeakPolarHBondContact O-CB 3.39Å; E286-K290 PolarHBondContact O-N 2.79Å
287	P	98.9	Very high	98.8	Very high	36 Å²	36	28 Å²	28	23%	0.234	14%	0.137	C	C	.	.	H	α-helix	trans	-64	-29.2	-175.7	27	-35.1	0	0	0	112.6	S151 A291	S151-P287 WeakPolarHBondContact O-CB 3.27Å; P287-A291 VanDerWaalsContact O-CB 3.29Å; P287-A291 WeakPolarHBondContact O-CB 3.42Å; P287-A291 PolarHBondContact O-N 3.29Å
288	E	98.9	Very high	98.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.7	-51.9	174.3	-54.3	80.9	-174.8	0	0	111.4	S152 Y153 L158 V223 N241 L255 E286 K290 A291 V292	S152-E288 WeakPolarHBondContact CA-OE1 3.13Å; S152-E288 VanDerWaalsContact CB-OE1 3.28Å; S152-E288 WeakPolarHBondContact CB-OE1 3.47Å; Y153-E288 PolarHBondContact N-OE1 2.87Å; L158-E288 HydrophobicContact CD1-CB 4.3Å; L158-E288 HydrophobicContact CD1-CG 4.28Å; L158-E288 HydrophobicContact CD2-CG 4.29Å; V223-E288 HydrophobicContact CG1-CB 4.37Å; N241-E288 PolarHBondContact ND2-OE2 2.8Å; N241-E288 VanDerWaalsContact ND2-OE2 3.1Å; L255-E288 HydrophobicContact CD1-CB 3.86Å; L255-E288 HydrophobicContact CD1-CG 4.39Å; L255-E288 HydrophobicContact CD2-CB 4.41Å; E286-E288 PolarHBondContact O-N 2.97Å; E288-K290 VanDerWaalsContact C-N 3.28Å; E288-K290 PolarHBondContact O-N 2.96Å; E288-A291 PolarHBondContact O-N 3.49Å; E288-V292 WeakPolarHBondContact O-CG2 3.48Å; E288-V292 PolarHBondContact O-N 3.24Å; E288-V292 VanDerWaalsContact O-N 3.09Å
289	A	98.9	Very high	98.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.7	-40.8	176.7	0	0	0	0	0	110.9	N258 F259 E286 V292 A293	N258-A289 HydrophobicContact CB-CB 4.39Å; F259-A289 HydrophobicContact CE1-CB 4.44Å; F259-A289 HydrophobicContact CE2-CB 4.18Å; F259-A289 HydrophobicContact CZ-CB 4.08Å; E286-A289 HydrophobicContact CB-CB 4.2Å; E286-A289 PolarHBondContact O-N 3.44Å; A289-V292 PolarHBondContact O-N 3.33Å; A289-A293 VanDerWaalsContact O-CB 3.24Å; A289-A293 WeakPolarHBondContact O-CB 3.48Å; A289-A293 PolarHBondContact O-N 3.17Å
290	K	98.9	Very high	98.7	Very high	83 Å²	83	39.1 Å²	39.1	36%	0.361	18%	0.183	S	C	.	.	H	α-helix	trans	-63	-43.8	177.1	-172	64.2	179.3	-174.7	0	112.6	E284 E286 E288 A293 N294	E284-K290 HydrophobicContact CB-CB 4.36Å; E284-K290 HydrophobicContact CB-CD 3.71Å; E284-K290 WeakPolarHBondContact OE2-CD 3.39Å; E284-K290 IonicContact OE2-NZ 3.35Å; E284-K290 PolarHBondContact OE2-NZ 2.98Å; E286-K290 WeakPolarHBondContact O-CB 3.39Å; E286-K290 PolarHBondContact O-N 2.79Å; E288-K290 VanDerWaalsContact C-N 3.28Å; E288-K290 PolarHBondContact O-N 2.96Å; K290-A293 PolarHBondContact O-N 3.39Å; K290-N294 VanDerWaalsContact O-CB 3.24Å; K290-N294 WeakPolarHBondContact O-CB 3.35Å; K290-N294 PolarHBondContact O-N 3.1Å; K290-N294 PolarHBondContact O-ND2 3.11Å
291	A	98.9	Very high	98.6	Very high	8 Å²	8	45.2 Å²	45.2	7%	0.066	22%	0.215	C	C	.	.	H	α-helix	trans	-62.4	-47.3	178.8	0	0	0	0	0	111.3	I149 L158 P287 E288 N294 F295	I149-A291 HydrophobicContact CD1-CB 4.15Å; I149-A291 HydrophobicContact CG1-CB 4.24Å; L158-A291 HydrophobicContact CD1-CB 3.69Å; P287-A291 VanDerWaalsContact O-CB 3.29Å; P287-A291 WeakPolarHBondContact O-CB 3.42Å; P287-A291 PolarHBondContact O-N 3.29Å; E288-A291 PolarHBondContact O-N 3.49Å; A291-N294 PolarHBondContact O-N 3.37Å; A291-F295 WeakPolarHBondContact O-CB 3.32Å; A291-F295 PolarHBondContact O-N 3.37Å
292	V	98.9	Very high	98.5	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	22%	0.217	C	C	.	.	H	α-helix	trans	-60.6	-50.8	175.8	172.1	0	0	0	0	110.5	I149 W175 M220 V223 F259 E288 A289 N294 F295 L296	I149-V292 HydrophobicContact CD1-CG2 4.16Å; W175-V292 HydrophobicContact CH2-CG1 4.49Å; W175-V292 HydrophobicContact CZ2-CG1 3.87Å; W175-V292 HydrophobicContact CZ2-CG2 4.32Å; M220-V292 HydrophobicContact CE-CG2 4.32Å; M220-V292 HydrophobicContact SD-CG2 3.59Å; M220-V292 VanDerWaalsContact SD-CG2 3.59Å; V223-V292 HydrophobicContact CG1-CG2 4.13Å; F259-V292 HydrophobicContact CE1-CB 4.42Å; F259-V292 HydrophobicContact CE1-CG1 4.1Å; F259-V292 HydrophobicContact CZ-CG1 4.28Å; E288-V292 WeakPolarHBondContact O-CG2 3.48Å; E288-V292 PolarHBondContact O-N 3.24Å; E288-V292 VanDerWaalsContact O-N 3.09Å; A289-V292 PolarHBondContact O-N 3.33Å; V292-N294 VanDerWaalsContact C-N 3.33Å; V292-N294 PolarHBondContact O-N 2.93Å; V292-F295 PolarHBondContact O-N 3.29Å; V292-F295 VanDerWaalsContact O-N 3.14Å; V292-L296 HydrophobicContact CG1-CD1 3.61Å; V292-L296 HydrophobicContact CG1-CG 4.35Å; V292-L296 WeakPolarHBondContact O-CG 3.32Å; V292-L296 PolarHBondContact O-N 3.4Å
293	A	98.9	Very high	98.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.5	-40.9	-178.4	0	0	0	0	0	112.5	F259 E284 A289 K290 R297 W372	F259-A293 HydrophobicContact CD1-CB 4.45Å; F259-A293 HydrophobicContact CE1-CB 4.41Å; E284-A293 HydrophobicContact CG-CB 4.24Å; A289-A293 VanDerWaalsContact O-CB 3.24Å; A289-A293 WeakPolarHBondContact O-CB 3.48Å; A289-A293 PolarHBondContact O-N 3.17Å; K290-A293 PolarHBondContact O-N 3.39Å; A293-R297 WeakPolarHBondContact O-CB 3.28Å; A293-R297 WeakPolarHBondContact O-CG 3.44Å; A293-R297 PolarHBondContact O-N 3.5Å; A293-R297 PolarHBondContact O-NE 2.91Å; A293-W372 VanDerWaalsContact CA-CH2 3.41Å; A293-W372 HydrophobicContact CB-CH2 3.62Å; A293-W372 HydrophobicContact CB-CZ2 3.81Å; A293-W372 HydrophobicContact CB-CZ3 4.19Å
294	N	98.9	Very high	98.5	Very high	59 Å²	59	40.3 Å²	40.3	32%	0.316	19%	0.189	S	C	.	.	H	α-helix	trans	-66.9	-38.2	175.1	-75.4	-14.8	0	0	0	112.8	K290 A291 V292 R297 R298	K290-N294 VanDerWaalsContact O-CB 3.24Å; K290-N294 WeakPolarHBondContact O-CB 3.35Å; K290-N294 PolarHBondContact O-N 3.1Å; K290-N294 PolarHBondContact O-ND2 3.11Å; A291-N294 PolarHBondContact O-N 3.37Å; V292-N294 VanDerWaalsContact C-N 3.33Å; V292-N294 PolarHBondContact O-N 2.93Å; N294-R297 PolarHBondContact OD1-NH2 2.81Å; N294-R298 WeakPolarHBondContact O-CB 3.34Å; N294-R298 VanDerWaalsContact O-CG 3.3Å; N294-R298 WeakPolarHBondContact O-CG 3.49Å; N294-R298 PolarHBondContact O-N 3.01Å; N294-R298 VanDerWaalsContact O-N 3.16Å; N294-R298 PolarHBondContact O-NE 3.05Å; N294-R298 VanDerWaalsContact O-NE 3.15Å
295	F	98.9	Very high	98.5	Very high	10 Å²	10	39.6 Å²	39.6	4%	0.044	19%	0.186	C	C	.	.	H	α-helix	trans	-64.2	-48.7	175.2	-178.9	-89.5	0	0	0	111.2	I147 I149 V160 W175 Y218 A291 V292 R298 N299	I147-F295 HydrophobicContact CD1-CE2 4.37Å; I147-F295 HydrophobicContact CD1-CZ 4.46Å; I147-F295 HydrophobicContact CG2-CE2 4.15Å; I149-F295 HydrophobicContact CB-CB 4.5Å; I149-F295 HydrophobicContact CB-CD2 4.43Å; I149-F295 HydrophobicContact CG2-CB 4.28Å; I149-F295 HydrophobicContact CG2-CD2 3.45Å; I149-F295 VanDerWaalsContact CG2-CD2 3.45Å; I149-F295 HydrophobicContact CG2-CE2 4.03Å; I149-F295 HydrophobicContact CG2-CG 4.01Å; V160-F295 HydrophobicContact CG1-CZ 4.45Å; W175-F295 AromaticContact CE3-CD1 3.89Å; W175-F295 HydrophobicContact CE3-CD1 3.89Å; W175-F295 AromaticContact CE3-CE1 3.81Å; W175-F295 HydrophobicContact CE3-CE1 3.81Å; W175-F295 HydrophobicContact CH2-CD1 4.2Å; W175-F295 AromaticContact CZ3-CD1 3.35Å; W175-F295 HydrophobicContact CZ3-CD1 3.35Å; W175-F295 AromaticContact CZ3-CE1 3.48Å; W175-F295 HydrophobicContact CZ3-CE1 3.48Å; W175-F295 VanDerWaalsContact CZ3-CE1 3.48Å; W175-F295 HydrophobicContact CZ3-CG 4.3Å; W175-F295 HydrophobicContact CZ3-CZ 4.49Å; Y218-F295 HydrophobicContact CD1-CE1 4.11Å; Y218-F295 AromaticContact CD1-CZ 3.65Å; Y218-F295 HydrophobicContact CD1-CZ 3.65Å; Y218-F295 HydrophobicContact CD2-CE1 4.03Å; Y218-F295 HydrophobicContact CD2-CZ 4.2Å; Y218-F295 HydrophobicContact CE1-CE1 4.49Å; Y218-F295 AromaticContact CE1-CZ 3.74Å; Y218-F295 HydrophobicContact CE1-CZ 3.74Å; Y218-F295 HydrophobicContact CE2-CE1 4.42Å; Y218-F295 HydrophobicContact CE2-CZ 4.28Å; Y218-F295 AromaticContact CG-CE1 3.86Å; Y218-F295 HydrophobicContact CG-CE1 3.86Å; Y218-F295 AromaticContact CG-CZ 3.9Å; Y218-F295 HydrophobicContact CG-CZ 3.9Å; A291-F295 WeakPolarHBondContact O-CB 3.32Å; A291-F295 PolarHBondContact O-N 3.37Å; V292-F295 PolarHBondContact O-N 3.29Å; V292-F295 VanDerWaalsContact O-N 3.14Å; F295-R298 PolarHBondContact O-N 2.9Å; F295-N299 PolarHBondContact O-N 3.31Å; F295-N299 PolarHBondContact O-ND2 3.32Å
296	L	98.9	Very high	98.5	Very high	2 Å²	2	39 Å²	39	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-62	-45.5	180	-69.9	168.7	0	0	0	111.5	W175 V292 R298 N299 I300 I303 Y306 W372 I373	W175-L296 HydrophobicContact CB-CD2 3.93Å; W175-L296 HydrophobicContact CD2-CD2 3.59Å; W175-L296 HydrophobicContact CD2-CG 4.4Å; W175-L296 HydrophobicContact CE3-CD2 3.76Å; W175-L296 HydrophobicContact CG-CD2 3.66Å; V292-L296 HydrophobicContact CG1-CD1 3.61Å; V292-L296 HydrophobicContact CG1-CG 4.35Å; V292-L296 WeakPolarHBondContact O-CG 3.32Å; V292-L296 PolarHBondContact O-N 3.4Å; L296-R298 PolarHBondContact O-N 3.34Å; L296-N299 CarbonylContact O-C 3.6Å; L296-N299 PolarHBondContact O-N 3.03Å; L296-N299 VanDerWaalsContact O-N 3.13Å; L296-I300 WeakPolarHBondContact O-CA 3.32Å; L296-I300 WeakPolarHBondContact O-CB 3.45Å; L296-I300 PolarHBondContact O-N 3.23Å; L296-I303 HydrophobicContact CD2-CD1 3.48Å; L296-I303 VanDerWaalsContact CD2-CD1 3.48Å; L296-Y306 HydrophobicContact CD1-CD2 4.33Å; L296-Y306 HydrophobicContact CD1-CE2 4.19Å; L296-W372 HydrophobicContact CB-CH2 4Å; L296-W372 HydrophobicContact CB-CZ3 4.27Å; L296-W372 HydrophobicContact CD1-CH2 4.18Å; L296-W372 HydrophobicContact CD1-CZ3 3.63Å; L296-I373 HydrophobicContact CB-CD1 4.36Å; L296-I373 HydrophobicContact CD1-CD1 4.01Å; L296-I373 HydrophobicContact CD2-CD1 3.98Å; L296-I373 HydrophobicContact CG-CD1 4.35Å
297	R	98.8	Very high	98.5	Very high	83 Å²	83	39 Å²	39	31%	0.313	18%	0.182	S	C	.	.	H	α-helix	trans	-58.2	-43.1	174.7	-80.6	-174	-73.1	-97.9	-0.7	113.2	E284 A293 N294 N299 I300 W372 L376	E284-R297 IonicContact OE1-CZ 3.01Å; E284-R297 IonicContact OE1-NH1 3.58Å; E284-R297 PolarHBondContact OE1-NH1 3.45Å; E284-R297 IonicContact OE1-NH2 2.95Å; E284-R297 PolarHBondContact OE1-NH2 2.97Å; E284-R297 IonicContact OE2-CZ 3.58Å; E284-R297 IonicContact OE2-NH1 2.65Å; E284-R297 IonicContact OE2-NH2 2.88Å; E284-R297 PolarHBondContact OE2-NH2 3.42Å; A293-R297 WeakPolarHBondContact O-CB 3.28Å; A293-R297 WeakPolarHBondContact O-CG 3.44Å; A293-R297 PolarHBondContact O-N 3.5Å; A293-R297 PolarHBondContact O-NE 2.91Å; N294-R297 PolarHBondContact OD1-NH2 2.81Å; R297-N299 PolarHBondContact O-N 3.27Å; R297-I300 WeakPolarHBondContact O-CG2 3.23Å; R297-I300 PolarHBondContact O-N 2.86Å; R297-W372 HydrophobicContact CG-CZ2 4.21Å; R297-L376 HydrophobicContact CG-CD1 4.37Å
298	R	98.6	Very high	98.5	Very high	170 Å²	170	37.3 Å²	37.3	64%	0.642	17%	0.171	S	C	*	.	H	α-helix	trans	-63.5	-27.9	178.5	-78	-178.6	-69.5	-176.1	1	112.9	N294 F295 L296	N294-R298 WeakPolarHBondContact O-CB 3.34Å; N294-R298 VanDerWaalsContact O-CG 3.3Å; N294-R298 WeakPolarHBondContact O-CG 3.49Å; N294-R298 PolarHBondContact O-N 3.01Å; N294-R298 VanDerWaalsContact O-N 3.16Å; N294-R298 PolarHBondContact O-NE 3.05Å; N294-R298 VanDerWaalsContact O-NE 3.15Å; F295-R298 PolarHBondContact O-N 2.9Å; L296-R298 PolarHBondContact O-N 3.34Å
299	N	98.3	Very high	98.5	Very high	33 Å²	33	37.3 Å²	37.3	18%	0.176	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	10.5	-174.2	-64.6	-78.6	0	0	0	113.3	F295 L296 R297 N301 H302 I303	F295-N299 PolarHBondContact O-N 3.31Å; F295-N299 PolarHBondContact O-ND2 3.32Å; L296-N299 CarbonylContact O-C 3.6Å; L296-N299 PolarHBondContact O-N 3.03Å; L296-N299 VanDerWaalsContact O-N 3.13Å; R297-N299 PolarHBondContact O-N 3.27Å; N299-N301 PolarHBondContact O-N 3.4Å; N299-N301 VanDerWaalsContact O-N 3.12Å; N299-H302 PolarHBondContact O-N 3.25Å; N299-I303 HydrophobicContact CB-CD1 3.81Å; N299-I303 HydrophobicContact CB-CG1 4.22Å; N299-I303 WeakPolarHBondContact O-CG1 3.5Å; N299-I303 PolarHBondContact O-N 3.13Å; N299-I303 VanDerWaalsContact O-N 3.09Å
300	I	97.8	Very high	98.5	Very high	43 Å²	43	37.3 Å²	37.3	22%	0.221	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-30.5	-167.1	-159.8	166.3	0	0	0	113.6	L296 R297 H302 L376 I378	L296-I300 WeakPolarHBondContact O-CA 3.32Å; L296-I300 WeakPolarHBondContact O-CB 3.45Å; L296-I300 PolarHBondContact O-N 3.23Å; R297-I300 WeakPolarHBondContact O-CG2 3.23Å; R297-I300 PolarHBondContact O-N 2.86Å; I300-H302 PolarHBondContact O-N 2.77Å; I300-L376 HydrophobicContact CD1-CB 3.7Å; I300-L376 HydrophobicContact CD1-CD1 4.18Å; I300-I378 HydrophobicContact CG1-CD1 3.84Å; I300-I378 HydrophobicContact CG1-CG1 4.21Å
301	N	96.8	Very high	98.5	Very high	131 Å²	131	33.5 Å²	33.5	70%	0.701	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-27.8	177.6	-69.5	-21.3	0	0	0	112.7	N299 K304	N299-N301 PolarHBondContact O-N 3.4Å; N299-N301 VanDerWaalsContact O-N 3.12Å; N301-K304 WeakPolarHBondContact O-CE 3.46Å; N301-K304 PolarHBondContact O-NZ 3.23Å
302	H	96.1	Very high	98.5	Very high	101 Å²	101	33.7 Å²	33.7	47%	0.468	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-30.1	-179.7	-61.2	-71.9	0	0	0	112.4	N172 A173 N299 I300	N172-H302 CarbonylContact C-O 3.46Å; N172-H302 WeakPolarHBondContact CA-O 3.42Å; A173-H302 PolarHBondContact N-O 2.82Å; N299-H302 PolarHBondContact O-N 3.25Å; I300-H302 PolarHBondContact O-N 2.77Å
303	I	98.5	Very high	98.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	130.7	-179.6	-64.2	169.4	0	0	0	109.3	A173 W175 L296 N299 A305 I378	A173-I303 HydrophobicContact CB-CG1 4.4Å; A173-I303 CarbonylContact O-C 3.56Å; A173-I303 WeakPolarHBondContact O-CA 3.43Å; W175-I303 HydrophobicContact CB-CG2 4.48Å; L296-I303 HydrophobicContact CD2-CD1 3.48Å; L296-I303 VanDerWaalsContact CD2-CD1 3.48Å; N299-I303 HydrophobicContact CB-CD1 3.81Å; N299-I303 HydrophobicContact CB-CG1 4.22Å; N299-I303 WeakPolarHBondContact O-CG1 3.5Å; N299-I303 PolarHBondContact O-N 3.13Å; N299-I303 VanDerWaalsContact O-N 3.09Å; I303-A305 WeakPolarHBondContact CG2-O 3.25Å; I303-I378 HydrophobicContact CB-CD1 4.49Å; I303-I378 HydrophobicContact CG2-CD1 4.38Å; I303-I378 HydrophobicContact CG2-CG1 4.48Å; I303-I378 HydrophobicContact CG2-CG2 4.41Å; I303-I378 WeakPolarHBondContact O-CD1 3.43Å
304	K	98.7	Very high	98.4	Very high	58 Å²	58	35.5 Å²	35.5	25%	0.252	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	-14	-179.3	-59.7	-58.3	166.8	-159	0	114	N172 A173 N301 V419 V423	N172-K304 HydrophobicContact CB-CG 3.72Å; N172-K304 WeakPolarHBondContact OD1-CE 3.42Å; A173-K304 PolarHBondContact O-N 3.39Å; N301-K304 WeakPolarHBondContact O-CE 3.46Å; N301-K304 PolarHBondContact O-NZ 3.23Å; K304-V419 HydrophobicContact CB-CG1 3.66Å; K304-V423 HydrophobicContact CB-CG1 4.14Å; K304-V423 HydrophobicContact CB-CG2 4.38Å; K304-V423 HydrophobicContact CD-CB 4.26Å; K304-V423 HydrophobicContact CD-CG1 4.34Å; K304-V423 HydrophobicContact CG-CB 4.21Å; K304-V423 HydrophobicContact CG-CG1 4.31Å; K304-V423 HydrophobicContact CG-CG2 4.09Å
305	A	98.9	Very high	98.3	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	152.7	171.8	0	0	0	0	0	111.5	M174 W175 I303 Y380 V419	M174-A305 HydrophobicContact CB-CB 4.34Å; M174-A305 HydrophobicContact CG-CB 3.9Å; M174-A305 HydrophobicContact SD-CB 4.3Å; W175-A305 PolarHBondContact N-O 3.36Å; I303-A305 WeakPolarHBondContact CG2-O 3.25Å; A305-Y380 CarbonylContact C-O 3.55Å; A305-Y380 WeakPolarHBondContact CA-O 3.41Å; A305-Y380 WeakPolarHBondContact CB-O 3.16Å; A305-V419 HydrophobicContact CB-CG1 4.47Å; A305-V419 HydrophobicContact CB-CG2 3.76Å
306	Y	98.9	Very high	98.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.2	174.3	175	-89.9	0	0	0	108.8	W175 D177 L296 S308 A369 D370 I373 Y380 S381 F382	W175-Y306 HydrophobicContact CB-CD2 4.33Å; W175-Y306 AromaticContact CD1-CD2 3.21Å; W175-Y306 AromaticContact CD1-CE2 3.25Å; W175-Y306 AromaticContact CG-CD2 3.97Å; W175-Y306 HydrophobicContact CG-CD2 3.97Å; W175-Y306 HydrophobicContact CG-CE2 4.29Å; W175-Y306 AromaticContact NE1-CD2 3.86Å; W175-Y306 AromaticContact NE1-CE2 3.4Å; D177-Y306 WeakPolarHBondContact OD2-CE2 3.32Å; D177-Y306 PolarHBondContact OD2-OH 3.12Å; L296-Y306 HydrophobicContact CD1-CD2 4.33Å; L296-Y306 HydrophobicContact CD1-CE2 4.19Å; Y306-S308 WeakPolarHBondContact OH-CB 3.46Å; Y306-A369 HydrophobicContact CE1-CB 4.19Å; Y306-A369 HydrophobicContact CE2-CB 4.38Å; Y306-A369 WeakPolarHBondContact OH-CB 3.41Å; Y306-D370 HydrophobicContact CD1-CB 4.19Å; Y306-D370 HydrophobicContact CE1-CB 3.95Å; Y306-I373 HydrophobicContact CD1-CG2 3.94Å; Y306-I373 HydrophobicContact CD2-CD1 3.87Å; Y306-I373 HydrophobicContact CD2-CG2 4.09Å; Y306-I373 HydrophobicContact CG-CD1 4.21Å; Y306-I373 HydrophobicContact CG-CG2 3.62Å; Y306-Y380 PolarHBondContact N-O 3.26Å; Y306-S381 CarbonylContact O-C 3.53Å; Y306-S381 WeakPolarHBondContact O-CA 3.34Å; Y306-F382 PolarHBondContact O-N 3.11Å
307	I	98.9	Very high	98.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	115	177.5	-52.3	177.4	0	0	0	108.3	W175 I176 D177 M309 F382 I384 V412 I415	W175-I307 PolarHBondContact O-N 3.21Å; I176-I307 VanDerWaalsContact CA-O 3.28Å; I176-I307 WeakPolarHBondContact CA-O 3.44Å; I176-I307 HydrophobicContact CG1-CB 4.38Å; D177-I307 PolarHBondContact N-O 3.17Å; I307-M309 HydrophobicContact CG2-SD 3.61Å; I307-F382 CarbonylContact C-O 3.47Å; I307-F382 VanDerWaalsContact CA-O 3.3Å; I307-F382 WeakPolarHBondContact CA-O 3.45Å; I307-I384 HydrophobicContact CG2-CD1 3.8Å; I307-I384 HydrophobicContact CG2-CG1 4.11Å; I307-V412 HydrophobicContact CD1-CG1 4.19Å; I307-V412 HydrophobicContact CD1-CG2 4.12Å; I307-V412 HydrophobicContact CG2-CG2 4.5Å; I307-I415 HydrophobicContact CD1-CB 4.33Å; I307-I415 HydrophobicContact CD1-CD1 4.14Å; I307-I415 HydrophobicContact CD1-CG2 4Å
308	S	98.9	Very high	98.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	127.6	171.7	-166.7	0	0	0	0	110.7	D177 I180 Y306 H310 F382 T383 I384	D177-S308 WeakPolarHBondContact OD1-CB 3.42Å; D177-S308 PolarHBondContact OD1-OG 2.65Å; I180-S308 WeakPolarHBondContact CD1-OG 3.36Å; Y306-S308 WeakPolarHBondContact OH-CB 3.46Å; S308-H310 PolarHBondContact OG-CD2 3.01Å; S308-H310 PolarHBondContact OG-NE2 3.39Å; S308-H310 VanDerWaalsContact OG-NE2 3.14Å; S308-F382 PolarHBondContact N-O 2.94Å; S308-T383 CarbonylContact O-C 3.55Å; S308-T383 WeakPolarHBondContact O-CA 3.22Å; S308-I384 PolarHBondContact O-N 2.82Å
309	M	98.9	Very high	98.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	124.8	-176.7	-54.2	-60.5	-54.5	0	0	109.8	I176 D177 C178 S187 F190 I307 I384 L386 A408	I176-M309 HydrophobicContact CG2-CG 3.9Å; D177-M309 WeakPolarHBondContact O-CB 3.49Å; D177-M309 WeakPolarHBondContact O-CG 3.25Å; D177-M309 PolarHBondContact O-N 3.23Å; C178-M309 HydrophobicContact CB-CB 4.5Å; S187-M309 VanDerWaalsContact CB-O 3.29Å; S187-M309 WeakPolarHBondContact CB-O 3.01Å; S187-M309 PolarHBondContact OG-O 3.45Å; F190-M309 HydrophobicContact CD1-CB 4.31Å; F190-M309 HydrophobicContact CD1-CE 3.63Å; F190-M309 HydrophobicContact CD1-CG 3.63Å; F190-M309 HydrophobicContact CD1-SD 4.04Å; F190-M309 HydrophobicContact CE1-CE 3.68Å; F190-M309 HydrophobicContact CE1-CG 3.69Å; F190-M309 HydrophobicContact CE1-SD 3.71Å; F190-M309 HydrophobicContact CG-CE 4.15Å; F190-M309 HydrophobicContact CZ-CE 4.26Å; I307-M309 HydrophobicContact CG2-SD 3.61Å; M309-I384 HydrophobicContact CE-CB 3.86Å; M309-I384 HydrophobicContact CE-CD1 4.26Å; M309-I384 HydrophobicContact CE-CG2 3.95Å; M309-I384 HydrophobicContact SD-CB 4.04Å; M309-I384 HydrophobicContact SD-CD1 4.06Å; M309-I384 HydrophobicContact SD-CG1 4.37Å; M309-L386 HydrophobicContact CE-CD1 4.03Å; M309-L386 HydrophobicContact CE-CD2 3.72Å; M309-L386 HydrophobicContact CE-CG 4.05Å; M309-A408 HydrophobicContact CE-CB 4.07Å
310	H	98.9	Very high	98.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	174.7	-175.6	-78.8	-77.3	0	0	0	111.4	H181 E184 S308 T383 I384 E385 L386	H181-H310 AromaticContact CE1-CE1 3.11Å; H181-H310 PolarHBondContact CE1-CE1 3.28Å; H181-H310 AromaticContact CE1-ND1 3.32Å; H181-H310 PolarHBondContact CE1-ND1 3.1Å; H181-H310 VanDerWaalsContact CE1-ND1 3.32Å; H181-H310 AromaticContact ND1-CE1 3.31Å; H181-H310 PolarHBondContact ND1-CE1 2.96Å; H181-H310 VanDerWaalsContact ND1-CE1 3.31Å; H181-H310 AromaticContact ND1-ND1 3.11Å; H181-H310 PolarHBondContact ND1-ND1 2.68Å; H181-H310 VanDerWaalsContact ND1-ND1 3.11Å; H181-H310 AromaticContact NE2-CE1 3.83Å; E184-H310 VanDerWaalsContact OE2-CA 3.25Å; E184-H310 WeakPolarHBondContact OE2-CA 3.4Å; E184-H310 WeakPolarHBondContact OE2-CB 3.45Å; E184-H310 IonicContact OE2-CE1 2.68Å; E184-H310 IonicContact OE2-CG 3.25Å; E184-H310 IonicContact OE2-ND1 2.78Å; E184-H310 PolarHBondContact OE2-ND1 2.03Å; S308-H310 PolarHBondContact OG-CD2 3.01Å; S308-H310 PolarHBondContact OG-NE2 3.39Å; S308-H310 VanDerWaalsContact OG-NE2 3.14Å; H310-T383 HydrophobicContact CB-CG2 4.46Å; H310-I384 PolarHBondContact N-O 2.85Å; H310-E385 HydrophobicContact CB-CG 4.49Å; H310-E385 VanDerWaalsContact CB-OE2 3.31Å; H310-E385 WeakPolarHBondContact CB-OE2 3.46Å; H310-L386 VanDerWaalsContact O-CB 3.3Å; H310-L386 WeakPolarHBondContact O-CB 3.32Å; H310-L386 VanDerWaalsContact O-CG 3.31Å; H310-L386 WeakPolarHBondContact O-CG 3.47Å; H310-L386 PolarHBondContact O-N 3.07Å
311	S	98.7	Very high	97.9	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.021	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	161.2	162.1	76.2	0	0	0	0	110.8	E184 I186 E385 F394	E184-S311 VanDerWaalsContact CG-O 3.23Å; E184-S311 WeakPolarHBondContact CG-O 3.26Å; E184-S311 VanDerWaalsContact OE1-O 3.12Å; E184-S311 PolarHBondContact OE2-N 3.06Å; I186-S311 VanDerWaalsContact CG2-CB 3.41Å; I186-S311 WeakPolarHBondContact CG2-OG 3.22Å; S311-E385 WeakPolarHBondContact CA-OE2 3.49Å; S311-E385 PolarHBondContact N-OE2 2.91Å; S311-F394 VanDerWaalsContact O-CE1 3.26Å; S311-F394 WeakPolarHBondContact O-CE1 3.43Å
312	Y	98.4	Very high	97.7	Very high	12 Å²	12	13.1 Å²	13.1	5%	0.047	6%	0.062	C	C	.	.	S	Bend	cis	-120.3	162.9	-4.1	64.4	-87.4	0	0	0	109.3	W54 Q55 H69 L386 D388 G390 F394	W54-Y312 HydrophobicContact CB-CE1 4.27Å; W54-Y312 HydrophobicContact CE3-CE1 4Å; Q55-Y312 WeakPolarHBondContact CB-OH 3.4Å; H69-Y312 WeakPolarHBondContact CB-OH 3.4Å; H69-Y312 AromaticContact ND1-CE2 3.79Å; H69-Y312 AromaticContact ND1-CZ 3.77Å; H69-Y312 PolarHBondContact ND1-OH 2.71Å; Y312-L386 WeakPolarHBondContact CA-O 3.17Å; Y312-D388 WeakPolarHBondContact CB-O 3.44Å; Y312-D388 WeakPolarHBondContact CD2-O 3.48Å; Y312-G390 VanDerWaalsContact CE2-CA 3.46Å; Y312-F394 AromaticContact CD1-CD1 3.77Å; Y312-F394 HydrophobicContact CD1-CD1 3.77Å; Y312-F394 HydrophobicContact CD1-CD2 4.42Å; Y312-F394 AromaticContact CD1-CE1 3.59Å; Y312-F394 HydrophobicContact CD1-CE1 3.59Å; Y312-F394 HydrophobicContact CD1-CE2 4.24Å; Y312-F394 HydrophobicContact CD1-CG 4.18Å; Y312-F394 AromaticContact CD1-CZ 3.81Å; Y312-F394 HydrophobicContact CD1-CZ 3.81Å; Y312-F394 HydrophobicContact CE1-CD1 4.25Å; Y312-F394 HydrophobicContact CE1-CD2 4.11Å; Y312-F394 AromaticContact CE1-CE1 3.92Å; Y312-F394 HydrophobicContact CE1-CE1 3.92Å; Y312-F394 AromaticContact CE1-CE2 3.75Å; Y312-F394 HydrophobicContact CE1-CE2 3.75Å; Y312-F394 HydrophobicContact CE1-CG 4.33Å; Y312-F394 AromaticContact CE1-CZ 3.63Å; Y312-F394 HydrophobicContact CE1-CZ 3.63Å
313	S	97.1	Very high	97.5	Very high	23 Å²	23	9.9 Å²	9.9	16%	0.161	5%	0.049	C	C	.	.	S	Bend	trans	164.8	-9.5	159.5	47.2	0	0	0	0	111.8	E385 L386 D388	S313-E385 VanDerWaalsContact OG-CB 3.23Å; S313-E385 WeakPolarHBondContact OG-CB 3.48Å; S313-L386 PolarHBondContact N-O 2.8Å; S313-L386 VanDerWaalsContact N-O 3.11Å; S313-D388 CarbonylContact C-O 3.58Å; S313-D388 VanDerWaalsContact CA-O 3.25Å; S313-D388 WeakPolarHBondContact CA-O 3.3Å; S313-D388 PolarHBondContact N-O 3.18Å
314	Q	98.4	Very high	97.2	Very high	18 Å²	18	17 Å²	17	8%	0.084	8%	0.076	C	C	.	.	S	Bend	trans	59.2	60.8	-168.8	-55.6	-178.1	164.1	0	0	111.2	R352 Y353 T354 E385 L386 R387 T389	Q314-R352 PolarHBondContact NE2-O 2.8Å; Q314-Y353 HydrophobicContact CB-CD1 3.99Å; Q314-Y353 HydrophobicContact CB-CD2 3.73Å; Q314-Y353 HydrophobicContact CB-CE1 4.06Å; Q314-Y353 HydrophobicContact CB-CE2 3.8Å; Q314-Y353 HydrophobicContact CB-CG 3.83Å; Q314-Y353 HydrophobicContact CG-CD2 4.2Å; Q314-Y353 HydrophobicContact CG-CE1 4.47Å; Q314-Y353 HydrophobicContact CG-CE2 3.79Å; Q314-Y353 CarbonylContact O-C 3.59Å; Q314-Y353 WeakPolarHBondContact O-CA 2.99Å; Q314-T354 PolarHBondContact O-N 2.89Å; Q314-T354 PolarHBondContact O-OG1 3.1Å; Q314-E385 CarbonylContact C-O 3.47Å; Q314-E385 WeakPolarHBondContact CA-O 3.45Å; Q314-E385 PolarHBondContact N-O 3.48Å; Q314-E385 VanDerWaalsContact N-O 3.14Å; Q314-L386 PolarHBondContact N-O 2.96Å; Q314-L386 VanDerWaalsContact N-O 3.16Å; Q314-R387 HydrophobicContact CG-CG 4.24Å; Q314-T389 HydrophobicContact CB-CG2 4.36Å; Q314-T389 HydrophobicContact CG-CG2 4.09Å
315	H	97.6	Very high	97	Very high	5 Å²	5	17.8 Å²	17.8	2%	0.023	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	142.9	-178.9	-153.8	72.9	0	0	0	112	V317 T354 H355 G356 T361 E385	H315-V317 VanDerWaalsContact CD2-CG2 3.42Å; H315-V317 WeakPolarHBondContact CD2-CG2 3.23Å; H315-T354 CarbonylContact C-O 3.59Å; H315-T354 WeakPolarHBondContact CA-O 3.45Å; H315-T354 PolarHBondContact CE1-O 2.98Å; H315-T354 PolarHBondContact CE1-OG1 3.1Å; H315-T354 WeakPolarHBondContact ND1-CB 3.33Å; H315-T354 PolarHBondContact ND1-O 3.24Å; H315-T354 PolarHBondContact ND1-OG1 2.66Å; H315-H355 VanDerWaalsContact CE1-C 3.45Å; H315-H355 WeakPolarHBondContact CE1-CA 3.25Å; H315-H355 PolarHBondContact CE1-N 3.02Å; H315-H355 VanDerWaalsContact CE1-N 3.25Å; H315-H355 VanDerWaalsContact NE2-C 3.33Å; H315-H355 WeakPolarHBondContact NE2-CA 3.32Å; H315-G356 PolarHBondContact NE2-N 2.7Å; H315-T361 WeakPolarHBondContact CE1-CG2 3.17Å; H315-T361 WeakPolarHBondContact NE2-CB 3.28Å; H315-T361 VanDerWaalsContact NE2-CG2 3.29Å; H315-T361 WeakPolarHBondContact NE2-CG2 3.19Å; H315-E385 HydrophobicContact CB-CB 3.99Å; H315-E385 HydrophobicContact CB-CG 4.31Å; H315-E385 PolarHBondContact N-O 3.45Å; H315-E385 WeakPolarHBondContact O-CB 3.22Å; H315-E385 PolarHBondContact O-N 2.78Å
316	I	98.5	Very high	96.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	110	167.2	-58.1	-175	0	0	0	108.2	A337 A340 V341 I344 Y353 T354 H355 G356 F382 T383 I384 A411	I316-A337 HydrophobicContact CG2-CB 3.98Å; I316-A340 HydrophobicContact CD1-CB 3.69Å; I316-V341 HydrophobicContact CB-CG1 4.48Å; I316-V341 HydrophobicContact CD1-CG1 3.73Å; I316-V341 HydrophobicContact CG1-CG1 4.08Å; I316-I344 HydrophobicContact CD1-CD1 4.22Å; I316-Y353 HydrophobicContact CG1-CD1 4.28Å; I316-T354 PolarHBondContact N-O 3.17Å; I316-H355 HydrophobicContact CB-CB 4.23Å; I316-H355 WeakPolarHBondContact O-CA 3.5Å; I316-H355 WeakPolarHBondContact O-CB 3.44Å; I316-G356 PolarHBondContact O-N 3.09Å; I316-F382 HydrophobicContact CG2-CD1 4.13Å; I316-T383 CarbonylContact C-O 3.39Å; I316-T383 WeakPolarHBondContact CA-O 3.29Å; I316-I384 HydrophobicContact CG1-CG1 4.31Å; I316-I384 HydrophobicContact CG1-CG2 4.36Å; I316-I384 HydrophobicContact CG2-CG1 4.42Å; I316-A411 HydrophobicContact CD1-CB 4.48Å
317	V	97	Very high	96.6	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.012	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	149.6	178.4	178.7	0	0	0	0	110.2	H315 G356 L362 F382 T383	H315-V317 VanDerWaalsContact CD2-CG2 3.42Å; H315-V317 WeakPolarHBondContact CD2-CG2 3.23Å; V317-G356 WeakPolarHBondContact CA-O 3.24Å; V317-L362 HydrophobicContact CG2-CD1 3.56Å; V317-L362 HydrophobicContact CG2-CG 4.09Å; V317-F382 WeakPolarHBondContact O-CA 3.25Å; V317-T383 HydrophobicContact CB-CG2 4.49Å; V317-T383 PolarHBondContact N-O 2.87Å; V317-T383 PolarHBondContact O-N 3.21Å
318	F	98.1	Very high	96.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	160.7	165.7	52	-89.3	0	0	0	110.9	H330 L333 A337 G356 R357 G358 F382	F318-H330 AromaticContact CE2-CE1 3.89Å; F318-H330 AromaticContact CE2-ND1 3.57Å; F318-L333 HydrophobicContact CB-CB 4.1Å; F318-L333 HydrophobicContact CB-CD1 4.29Å; F318-L333 HydrophobicContact CD1-CB 4.44Å; F318-L333 HydrophobicContact CD2-CB 3.52Å; F318-L333 HydrophobicContact CD2-CD1 4.12Å; F318-L333 HydrophobicContact CD2-CG 4.47Å; F318-L333 HydrophobicContact CE2-CB 3.98Å; F318-L333 HydrophobicContact CG-CB 3.77Å; F318-A337 HydrophobicContact CD1-CB 3.98Å; F318-A337 HydrophobicContact CE1-CB 3.99Å; F318-G356 WeakPolarHBondContact CD1-O 3.29Å; F318-G356 WeakPolarHBondContact CE1-O 3.36Å; F318-G356 PolarHBondContact N-O 3.49Å; F318-R357 HydrophobicContact CE2-CG 4.08Å; F318-G358 PolarHBondContact O-N 3.27Å; F318-F382 HydrophobicContact CB-CD1 3.89Å; F318-F382 HydrophobicContact CB-CE1 4.04Å; F318-F382 HydrophobicContact CD1-CE1 4.5Å
319	P	97.6	Very high	96.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-53.6	144	-178.5	-33	38.5	0	0	0	115	S327 D371 Y374 S381	P319-S327 WeakPolarHBondContact O-CB 3.44Å; P319-S327 PolarHBondContact O-OG 3.42Å; P319-D371 WeakPolarHBondContact CA-OD1 3.41Å; P319-D371 VanDerWaalsContact CB-OD1 3.24Å; P319-D371 WeakPolarHBondContact CB-OD1 3.49Å; P319-Y374 HydrophobicContact CB-CD1 3.95Å; P319-Y374 HydrophobicContact CB-CD2 4.48Å; P319-Y374 HydrophobicContact CB-CG 3.92Å; P319-Y374 HydrophobicContact CG-CD1 4.45Å; P319-Y374 HydrophobicContact CG-CD2 4.36Å; P319-Y374 HydrophobicContact CG-CG 3.92Å; P319-S381 WeakPolarHBondContact CD-O 3.45Å
320	Y	96.9	Very high	96.5	Very high	29 Å²	29	35.1 Å²	35.1	11%	0.114	17%	0.167	C	C	.	.			cis	-99.3	145	6.1	-68.6	-65.4	0	0	0	114.5	Y322 T323 S359 D371 Y374 D375	Y320-Y322 AromaticContact CD1-CD1 3.99Å; Y320-Y322 HydrophobicContact CD1-CD1 3.99Å; Y320-Y322 AromaticContact CD1-CE1 3.32Å; Y320-Y322 HydrophobicContact CD1-CE1 3.32Å; Y320-Y322 HydrophobicContact CD1-CE2 4.22Å; Y320-Y322 AromaticContact CD1-CZ 3.45Å; Y320-Y322 VanDerWaalsContact CD1-CZ 3.45Å; Y320-Y322 AromaticContact CE1-CE1 3.5Å; Y320-Y322 HydrophobicContact CE1-CE1 3.5Å; Y320-Y322 AromaticContact CE1-CZ 3.49Å; Y320-Y322 VanDerWaalsContact CE1-CZ 3.49Å; Y320-Y322 WeakPolarHBondContact CE1-OH 3.23Å; Y320-Y322 HydrophobicContact CG-CE1 4.21Å; Y320-Y322 HydrophobicContact CG-CE2 4.38Å; Y320-T323 HydrophobicContact CD2-CG2 4.05Å; Y320-T323 HydrophobicContact CG-CG2 3.98Å; Y320-S359 PolarHBondContact O-N 3.06Å; Y320-S359 PolarHBondContact O-OG 2.83Å; Y320-D371 VanDerWaalsContact CA-OD1 3.31Å; Y320-D371 WeakPolarHBondContact CA-OD1 3.24Å; Y320-D371 HydrophobicContact CD1-CB 4.48Å; Y320-Y374 HydrophobicContact CD1-CD1 4.44Å; Y320-Y374 AromaticContact CE1-CD1 3.56Å; Y320-Y374 HydrophobicContact CE1-CD1 3.56Å; Y320-Y374 AromaticContact CE1-CE1 3.99Å; Y320-Y374 HydrophobicContact CE1-CE1 3.99Å; Y320-Y374 HydrophobicContact CE2-CE1 4.19Å; Y320-Y374 AromaticContact CZ-CD1 3.66Å; Y320-Y374 AromaticContact CZ-CE1 3.6Å; Y320-Y374 WeakPolarHBondContact OH-CE1 3.28Å; Y320-D375 WeakPolarHBondContact CE1-OD1 3.28Å; Y320-D375 PolarHBondContact OH-OD1 3.35Å
321	S	93.3	Very high	96.5	Very high	7 Å²	7	41.1 Å²	41.1	5%	0.049	20%	0.195	C	C	.	.	S	Bend	trans	-102	-27.6	170.5	-61.6	0	0	0	0	112.2	L364 A365 D371	S321-L364 WeakPolarHBondContact O-CA 3.46Å; S321-A365 PolarHBondContact O-N 3.12Å; S321-D371 VanDerWaalsContact CA-OD2 3.3Å; S321-D371 WeakPolarHBondContact CA-OD2 3.41Å; S321-D371 WeakPolarHBondContact CB-OD2 3.44Å; S321-D371 VanDerWaalsContact N-CG 3.31Å; S321-D371 PolarHBondContact N-OD1 3.16Å; S321-D371 PolarHBondContact N-OD2 3.12Å
322	Y	92.6	Very high	96.5	Very high	18 Å²	18	43.3 Å²	43.3	7%	0.071	21%	0.205	C	C	.	.	S	Bend	trans	-79	-14.9	178.1	69.3	-118.9	0	0	0	114.5	H263 Y320 D371 D375	H263-Y322 HydrophobicContact CB-CD2 4.19Å; H263-Y322 HydrophobicContact CB-CG 4.37Å; H263-Y322 AromaticContact CD2-CD2 3.2Å; H263-Y322 WeakPolarHBondContact CD2-CD2 3.42Å; H263-Y322 AromaticContact CD2-CE2 3.38Å; H263-Y322 WeakPolarHBondContact CD2-CE2 3.47Å; H263-Y322 AromaticContact CG-CD2 3.97Å; Y320-Y322 AromaticContact CD1-CD1 3.99Å; Y320-Y322 HydrophobicContact CD1-CD1 3.99Å; Y320-Y322 AromaticContact CD1-CE1 3.32Å; Y320-Y322 HydrophobicContact CD1-CE1 3.32Å; Y320-Y322 HydrophobicContact CD1-CE2 4.22Å; Y320-Y322 AromaticContact CD1-CZ 3.45Å; Y320-Y322 VanDerWaalsContact CD1-CZ 3.45Å; Y320-Y322 AromaticContact CE1-CE1 3.5Å; Y320-Y322 HydrophobicContact CE1-CE1 3.5Å; Y320-Y322 AromaticContact CE1-CZ 3.49Å; Y320-Y322 VanDerWaalsContact CE1-CZ 3.49Å; Y320-Y322 WeakPolarHBondContact CE1-OH 3.23Å; Y320-Y322 HydrophobicContact CG-CE1 4.21Å; Y320-Y322 HydrophobicContact CG-CE2 4.38Å; Y322-D371 HydrophobicContact CD1-CB 3.62Å; Y322-D371 WeakPolarHBondContact CD1-OD2 3.3Å; Y322-D371 HydrophobicContact CE1-CB 3.96Å; Y322-D371 PolarHBondContact N-OD2 2.9Å; Y322-D375 VanDerWaalsContact CE1-OD2 3.29Å; Y322-D375 WeakPolarHBondContact CE1-OD2 3.25Å; Y322-D375 PolarHBondContact OH-OD1 2.83Å; Y322-D375 PolarHBondContact OH-OD2 3.37Å; Y322-D375 VanDerWaalsContact OH-OD2 3.1Å
323	T	93.6	Very high	96.5	Very high	33 Å²	33	42.8 Å²	42.8	20%	0.202	20%	0.203	C	C	.	.			trans	-145.7	158	-179.4	-177.7	0	0	0	0	111.5	Y320 S325 S359	Y320-T323 HydrophobicContact CD2-CG2 4.05Å; Y320-T323 HydrophobicContact CG-CG2 3.98Å; T323-S325 VanDerWaalsContact C-N 3.28Å; T323-S325 PolarHBondContact OG1-N 2.87Å; T323-S359 WeakPolarHBondContact O-CB 3.4Å; T323-S359 PolarHBondContact O-OG 2.66Å
324	R	92	Very high	96.5	Very high	149 Å²	149	43.1 Å²	43.1	56%	0.562	21%	0.205	S	C	*	.	S	Bend	trans	-80.9	-6.6	172.6	-61.5	-170.5	-178.9	-76.8	-1.6	113.4	R357 S359 L364	R324-R357 PolarHBondContact O-NH1 2.96Å; R324-S359 PolarHBondContact NH1-O 3.1Å; R324-L364 HydrophobicContact CG-CD2 4.39Å
325	S	93	Very high	96.5	Very high	74 Å²	74	46.2 Å²	46.2	52%	0.517	22%	0.222	S	C	.	.	S	Bend	trans	-65.3	145.4	173.8	-67.3	0	0	0	0	111.5	T323	T323-S325 VanDerWaalsContact C-N 3.28Å; T323-S325 PolarHBondContact OG1-N 2.87Å
326	K	94.8	Very high	96.6	Very high	112 Å²	112	46 Å²	46	49%	0.487	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-70	141.8	171	-72.7	-172	166.7	-163.8	0	109.7	H330 E331	K326-H330 HydrophobicContact CB-CB 4.06Å; K326-H330 HydrophobicContact CD-CB 4.43Å; K326-H330 WeakPolarHBondContact CE-NE2 3.26Å; K326-H330 HydrophobicContact CG-CB 4.45Å; K326-H330 PolarHBondContact NZ-CD2 3.37Å; K326-H330 PolarHBondContact NZ-NE2 3.06Å; K326-E331 IonicContact NZ-OE1 3.01Å; K326-E331 PolarHBondContact NZ-OE1 3.06Å
327	S	96.3	Very high	96.6	Very high	6 Å²	6	46 Å²	46	4%	0.042	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-68.8	160.8	168	53	0	0	0	0	111	P319 D329 H330	P319-S327 WeakPolarHBondContact O-CB 3.44Å; P319-S327 PolarHBondContact O-OG 3.42Å; S327-D329 PolarHBondContact O-N 3.25Å; S327-H330 VanDerWaalsContact O-CB 3.3Å; S327-H330 WeakPolarHBondContact O-CB 3.43Å; S327-H330 PolarHBondContact O-N 2.64Å; S327-H330 WeakPolarHBondContact OG-CA 3.3Å; S327-H330 PolarHBondContact OG-N 2.9Å
328	K	98.1	Very high	96.7	Very high	194 Å²	194	47.9 Å²	47.9	84%	0.843	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-38.5	179.5	177	-172.7	172.7	-171.7	0	111.7	Y374	K328-Y374 PolarHBondContact N-OH 3.09Å
329	D	98.2	Very high	96.7	Very high	31 Å²	31	51 Å²	51	17%	0.166	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	19.9	-174.8	-53.9	-85.2	0	0	0	112.6	S327 E331 E332 L333 Y374 K379	S327-D329 PolarHBondContact O-N 3.25Å; D329-E331 VanDerWaalsContact C-N 3.34Å; D329-E331 PolarHBondContact O-N 3.34Å; D329-E332 PolarHBondContact O-N 3.31Å; D329-L333 HydrophobicContact CB-CD1 4.45Å; D329-L333 HydrophobicContact CB-CG 4.34Å; D329-L333 WeakPolarHBondContact O-CG 3.39Å; D329-L333 PolarHBondContact O-N 2.87Å; D329-Y374 PolarHBondContact N-OH 2.67Å; D329-Y374 VanDerWaalsContact N-OH 3.15Å; D329-Y374 PolarHBondContact OD2-OH 3.03Å; D329-K379 HydrophobicContact CB-CD 4.34Å; D329-K379 HydrophobicContact CB-CG 4.15Å; D329-K379 VanDerWaalsContact OD1-CE 3.24Å; D329-K379 WeakPolarHBondContact OD1-CE 3.48Å; D329-K379 IonicContact OD1-NZ 3.54Å; D329-K379 PolarHBondContact OD1-NZ 3.12Å
330	H	97.3	Very high	96.7	Very high	21 Å²	21	51 Å²	51	10%	0.097	25%	0.248	C	C	.	.	H	α-helix	trans	-49.7	-47.8	-170.9	172.5	81.2	0	0	0	114.2	F318 K326 S327 E332 L333 S334 R357	F318-H330 AromaticContact CE2-CE1 3.89Å; F318-H330 AromaticContact CE2-ND1 3.57Å; K326-H330 HydrophobicContact CB-CB 4.06Å; K326-H330 HydrophobicContact CD-CB 4.43Å; K326-H330 WeakPolarHBondContact CE-NE2 3.26Å; K326-H330 HydrophobicContact CG-CB 4.45Å; K326-H330 PolarHBondContact NZ-CD2 3.37Å; K326-H330 PolarHBondContact NZ-NE2 3.06Å; S327-H330 VanDerWaalsContact O-CB 3.3Å; S327-H330 WeakPolarHBondContact O-CB 3.43Å; S327-H330 PolarHBondContact O-N 2.64Å; S327-H330 WeakPolarHBondContact OG-CA 3.3Å; S327-H330 PolarHBondContact OG-N 2.9Å; H330-E332 VanDerWaalsContact C-N 3.33Å; H330-E332 PolarHBondContact O-N 2.91Å; H330-L333 PolarHBondContact O-N 3.24Å; H330-S334 WeakPolarHBondContact O-CB 3.41Å; H330-S334 PolarHBondContact O-N 3.4Å; H330-R357 WeakPolarHBondContact CE1-CD 3.03Å; H330-R357 WeakPolarHBondContact CE1-CG 3.37Å; H330-R357 WeakPolarHBondContact ND1-CD 3.35Å; H330-R357 WeakPolarHBondContact ND1-CG 3.5Å
331	E	98.1	Very high	96.8	Very high	127 Å²	127	50.4 Å²	50.4	59%	0.593	25%	0.248	S	C	*	.	H	α-helix	trans	-66.2	-36.3	-177.5	-60.1	-60.3	149.8	0	0	111.6	K326 D329 L335	K326-E331 IonicContact NZ-OE1 3.01Å; K326-E331 PolarHBondContact NZ-OE1 3.06Å; D329-E331 VanDerWaalsContact C-N 3.34Å; D329-E331 PolarHBondContact O-N 3.34Å; E331-L335 WeakPolarHBondContact O-CB 3.47Å; E331-L335 PolarHBondContact O-N 3.47Å
332	E	98.6	Very high	97	Very high	49 Å²	49	57.6 Å²	57.6	23%	0.229	27%	0.274	C	S	.	.	H	α-helix	trans	-72.8	-42.2	176.6	-170.4	179.3	159.9	0	0	111.6	D329 H330 S334 L335 V336 K379 Y380 H418	D329-E332 PolarHBondContact O-N 3.31Å; H330-E332 VanDerWaalsContact C-N 3.33Å; H330-E332 PolarHBondContact O-N 2.91Å; E332-S334 VanDerWaalsContact C-N 3.28Å; E332-S334 PolarHBondContact O-N 3.39Å; E332-L335 WeakPolarHBondContact O-CB 3.46Å; E332-L335 PolarHBondContact O-N 3.17Å; E332-L335 VanDerWaalsContact O-N 3.15Å; E332-V336 WeakPolarHBondContact O-CG2 3.26Å; E332-V336 PolarHBondContact O-N 3.04Å; E332-K379 VanDerWaalsContact CD-CE 3.45Å; E332-K379 IonicContact OE1-NZ 2.61Å; E332-K379 WeakPolarHBondContact OE2-CE 3.42Å; E332-K379 IonicContact OE2-NZ 2.77Å; E332-K379 PolarHBondContact OE2-NZ 3.12Å; E332-Y380 WeakPolarHBondContact OE1-CE1 3.31Å; E332-Y380 PolarHBondContact OE1-OH 3.48Å; E332-H418 IonicContact OE1-CD2 3.51Å; E332-H418 IonicContact OE1-CE1 2.74Å; E332-H418 IonicContact OE1-NE2 3.81Å; E332-H418 PolarHBondContact OE1-NE2 2.84Å
333	L	98.6	Very high	97.3	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-39.3	175.2	-63.8	175.9	0	0	0	111.3	F318 D329 H330 V336 A337 Y374 K379 Y380 F382	F318-L333 HydrophobicContact CB-CB 4.1Å; F318-L333 HydrophobicContact CB-CD1 4.29Å; F318-L333 HydrophobicContact CD1-CB 4.44Å; F318-L333 HydrophobicContact CD2-CB 3.52Å; F318-L333 HydrophobicContact CD2-CD1 4.12Å; F318-L333 HydrophobicContact CD2-CG 4.47Å; F318-L333 HydrophobicContact CE2-CB 3.98Å; F318-L333 HydrophobicContact CG-CB 3.77Å; D329-L333 HydrophobicContact CB-CD1 4.45Å; D329-L333 HydrophobicContact CB-CG 4.34Å; D329-L333 WeakPolarHBondContact O-CG 3.39Å; D329-L333 PolarHBondContact O-N 2.87Å; H330-L333 PolarHBondContact O-N 3.24Å; L333-V336 PolarHBondContact O-N 3.41Å; L333-A337 VanDerWaalsContact O-CB 3.31Å; L333-A337 WeakPolarHBondContact O-CB 3.27Å; L333-A337 PolarHBondContact O-N 2.85Å; L333-Y374 HydrophobicContact CD1-CD2 4.5Å; L333-Y374 HydrophobicContact CD1-CE2 4.02Å; L333-K379 WeakPolarHBondContact CD2-O 3.29Å; L333-Y380 HydrophobicContact CD2-CD1 4.16Å; L333-F382 HydrophobicContact CB-CE1 4.36Å; L333-F382 HydrophobicContact CD2-CE1 4.17Å; L333-F382 HydrophobicContact CD2-CE2 4.24Å; L333-F382 HydrophobicContact CD2-CZ 3.63Å
334	S	98.3	Very high	97.5	Very high	30 Å²	30	55.5 Å²	55.5	21%	0.21	26%	0.264	C	S	.	.	H	α-helix	trans	-62.9	-41.2	173.4	-164.7	0	0	0	0	111.9	H330 E332 S338	H330-S334 WeakPolarHBondContact O-CB 3.41Å; H330-S334 PolarHBondContact O-N 3.4Å; E332-S334 VanDerWaalsContact C-N 3.28Å; E332-S334 PolarHBondContact O-N 3.39Å; S334-S338 WeakPolarHBondContact O-CB 3.28Å; S334-S338 PolarHBondContact O-N 3.1Å
335	L	98.5	Very high	97.8	Very high	84 Å²	84	52.9 Å²	52.9	44%	0.44	26%	0.258	S	S	.	.	H	α-helix	trans	-59.9	-51.8	174.2	173.4	65.3	0	0	0	111	E331 E332 A337 S338 E339	E331-L335 WeakPolarHBondContact O-CB 3.47Å; E331-L335 PolarHBondContact O-N 3.47Å; E332-L335 WeakPolarHBondContact O-CB 3.46Å; E332-L335 PolarHBondContact O-N 3.17Å; E332-L335 VanDerWaalsContact O-N 3.15Å; L335-A337 VanDerWaalsContact C-N 3.33Å; L335-A337 PolarHBondContact O-N 3.37Å; L335-S338 WeakPolarHBondContact O-CB 3.3Å; L335-S338 PolarHBondContact O-N 3.08Å; L335-S338 VanDerWaalsContact O-N 3.1Å; L335-S338 PolarHBondContact O-OG 2.63Å; L335-E339 PolarHBondContact O-N 2.72Å
336	V	98.8	Very high	98	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.006	26%	0.263	C	S	.	.	H	α-helix	trans	-60.5	-43.8	-179.7	177.3	0	0	0	0	111.2	E332 L333 S338 E339 A340 Y380 F382 I415 H418	E332-V336 WeakPolarHBondContact O-CG2 3.26Å; E332-V336 PolarHBondContact O-N 3.04Å; L333-V336 PolarHBondContact O-N 3.41Å; V336-S338 VanDerWaalsContact C-N 3.32Å; V336-S338 PolarHBondContact O-N 2.84Å; V336-E339 PolarHBondContact O-N 3.29Å; V336-A340 WeakPolarHBondContact O-CB 3.44Å; V336-A340 PolarHBondContact O-N 2.73Å; V336-Y380 HydrophobicContact CG2-CE1 4.42Å; V336-F382 HydrophobicContact CB-CE1 4.41Å; V336-F382 HydrophobicContact CB-CZ 3.8Å; V336-F382 HydrophobicContact CG1-CE1 4.32Å; V336-F382 HydrophobicContact CG1-CE2 4.02Å; V336-F382 HydrophobicContact CG1-CZ 3.56Å; V336-I415 HydrophobicContact CG1-CB 4.37Å; V336-I415 HydrophobicContact CG1-CG1 3.92Å; V336-I415 HydrophobicContact CG1-CG2 4.42Å; V336-H418 HydrophobicContact CG1-CB 4.39Å; V336-H418 HydrophobicContact CG2-CB 4.2Å; V336-H418 WeakPolarHBondContact CG2-CD2 3.39Å; V336-H418 VanDerWaalsContact CG2-CG 3.46Å; V336-H418 WeakPolarHBondContact CG2-NE2 3.29Å
337	A	98.6	Very high	98.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-40.2	175.8	0	0	0	0	0	111.5	I316 F318 L333 L335 E339 A340 V341 H355 F382	I316-A337 HydrophobicContact CG2-CB 3.98Å; F318-A337 HydrophobicContact CD1-CB 3.98Å; F318-A337 HydrophobicContact CE1-CB 3.99Å; L333-A337 VanDerWaalsContact O-CB 3.31Å; L333-A337 WeakPolarHBondContact O-CB 3.27Å; L333-A337 PolarHBondContact O-N 2.85Å; L335-A337 VanDerWaalsContact C-N 3.33Å; L335-A337 PolarHBondContact O-N 3.37Å; A337-E339 VanDerWaalsContact C-N 3.33Å; A337-E339 PolarHBondContact O-N 3.26Å; A337-A340 PolarHBondContact O-N 3.08Å; A337-V341 WeakPolarHBondContact O-CG1 3.17Å; A337-V341 PolarHBondContact O-N 3.01Å; A337-H355 HydrophobicContact CB-CB 3.77Å; A337-F382 HydrophobicContact CB-CE1 4.29Å
338	S	98.5	Very high	98.1	Very high	40 Å²	40	54.8 Å²	54.8	28%	0.28	26%	0.264	S	S	.	.	H	α-helix	trans	-62.8	-37.4	175.5	84.8	0	0	0	0	112.7	S334 L335 V336 V341 R342	S334-S338 WeakPolarHBondContact O-CB 3.28Å; S334-S338 PolarHBondContact O-N 3.1Å; L335-S338 WeakPolarHBondContact O-CB 3.3Å; L335-S338 PolarHBondContact O-N 3.08Å; L335-S338 VanDerWaalsContact O-N 3.1Å; L335-S338 PolarHBondContact O-OG 2.63Å; V336-S338 VanDerWaalsContact C-N 3.32Å; V336-S338 PolarHBondContact O-N 2.84Å; S338-V341 WeakPolarHBondContact O-CG2 3.49Å; S338-R342 WeakPolarHBondContact O-CB 3.3Å; S338-R342 PolarHBondContact O-N 2.89Å; S338-R342 VanDerWaalsContact O-N 3.09Å
339	E	98.6	Very high	97.7	Very high	65 Å²	65	54 Å²	54	30%	0.304	26%	0.261	S	S	.	.	H	α-helix	trans	-69.6	-39.8	175.5	-69.6	-173.9	175.9	0	0	111.5	L335 V336 A337 R342 A343	L335-E339 PolarHBondContact O-N 2.72Å; V336-E339 PolarHBondContact O-N 3.29Å; A337-E339 VanDerWaalsContact C-N 3.33Å; A337-E339 PolarHBondContact O-N 3.26Å; E339-R342 PolarHBondContact O-N 3.17Å; E339-A343 PolarHBondContact O-N 2.94Å
340	A	98.7	Very high	97.4	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.1	-46.8	176.9	0	0	0	0	0	111.8	I316 V336 A337 R342 A343 I344 A411 I415	I316-A340 HydrophobicContact CD1-CB 3.69Å; V336-A340 WeakPolarHBondContact O-CB 3.44Å; V336-A340 PolarHBondContact O-N 2.73Å; A337-A340 PolarHBondContact O-N 3.08Å; A340-R342 VanDerWaalsContact C-N 3.29Å; A340-R342 PolarHBondContact O-N 3.07Å; A340-A343 WeakPolarHBondContact O-CA 3.35Å; A340-A343 WeakPolarHBondContact O-CB 3.48Å; A340-A343 PolarHBondContact O-N 2.9Å; A340-A343 VanDerWaalsContact O-N 3.08Å; A340-I344 PolarHBondContact O-N 2.83Å; A340-A411 HydrophobicContact CB-CB 4.07Å; A340-I415 HydrophobicContact CB-CD1 4.38Å; A340-I415 HydrophobicContact CB-CG1 4.16Å
341	V	98.3	Very high	97.3	Very high	18 Å²	18	60.5 Å²	60.5	11%	0.109	30%	0.296	C	S	.	.	H	α-helix	trans	-64.4	-34.3	175.5	-57.2	0	0	0	0	112	I316 A337 S338 A343 I344 Q345 H355	I316-V341 HydrophobicContact CB-CG1 4.48Å; I316-V341 HydrophobicContact CD1-CG1 3.73Å; I316-V341 HydrophobicContact CG1-CG1 4.08Å; A337-V341 WeakPolarHBondContact O-CG1 3.17Å; A337-V341 PolarHBondContact O-N 3.01Å; S338-V341 WeakPolarHBondContact O-CG2 3.49Å; V341-A343 VanDerWaalsContact C-N 3.32Å; V341-I344 WeakPolarHBondContact O-CB 3.37Å; V341-I344 PolarHBondContact O-N 2.89Å; V341-Q345 PolarHBondContact O-N 3.42Å; V341-H355 HydrophobicContact CG1-CB 4.15Å
342	R	98.4	Very high	97.2	Very high	158 Å²	158	63.6 Å²	63.6	60%	0.596	30%	0.302	S	S	*	.	H	α-helix	trans	-67.1	-34.4	173.6	-173.3	179.2	179.3	-172.6	0.3	111.6	S338 E339 A340 Q345 K346	S338-R342 WeakPolarHBondContact O-CB 3.3Å; S338-R342 PolarHBondContact O-N 2.89Å; S338-R342 VanDerWaalsContact O-N 3.09Å; E339-R342 PolarHBondContact O-N 3.17Å; A340-R342 VanDerWaalsContact C-N 3.29Å; A340-R342 PolarHBondContact O-N 3.07Å; R342-Q345 PolarHBondContact O-N 2.74Å; R342-K346 WeakPolarHBondContact O-CG 3.17Å; R342-K346 PolarHBondContact O-N 3.37Å; R342-K346 VanDerWaalsContact O-N 3.07Å
343	A	98.4	Very high	97.2	Very high	7 Å²	7	61.9 Å²	61.9	6%	0.058	29%	0.294	C	S	.	.	H	α-helix	trans	-61.6	-48.4	172.9	0	0	0	0	0	110.8	E339 A340 V341 Q345 K346 T347 A410 K414	E339-A343 PolarHBondContact O-N 2.94Å; A340-A343 WeakPolarHBondContact O-CA 3.35Å; A340-A343 WeakPolarHBondContact O-CB 3.48Å; A340-A343 PolarHBondContact O-N 2.9Å; A340-A343 VanDerWaalsContact O-N 3.08Å; V341-A343 VanDerWaalsContact C-N 3.32Å; A343-Q345 PolarHBondContact O-N 3.11Å; A343-K346 PolarHBondContact O-N 2.88Å; A343-T347 PolarHBondContact O-N 3.33Å; A343-T347 PolarHBondContact O-OG1 3.07Å; A343-A410 HydrophobicContact CB-CB 4.2Å; A343-K414 HydrophobicContact CB-CB 4.33Å; A343-K414 HydrophobicContact CB-CG 3.48Å; A343-K414 VanDerWaalsContact CB-CG 3.48Å
344	I	98.3	Very high	97.1	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-56.2	-50	175.6	-66.7	168.6	0	0	0	110.6	I316 A340 V341 K346 T347 S348 I351 Y353 D407 A411	I316-I344 HydrophobicContact CD1-CD1 4.22Å; A340-I344 PolarHBondContact O-N 2.83Å; V341-I344 WeakPolarHBondContact O-CB 3.37Å; V341-I344 PolarHBondContact O-N 2.89Å; I344-K346 VanDerWaalsContact C-N 3.25Å; I344-K346 PolarHBondContact O-N 3.39Å; I344-T347 PolarHBondContact O-N 3.24Å; I344-S348 PolarHBondContact O-N 2.7Å; I344-I351 HydrophobicContact CG2-CG2 4.11Å; I344-Y353 HydrophobicContact CB-CD2 4.39Å; I344-Y353 HydrophobicContact CD1-CD1 3.7Å; I344-Y353 HydrophobicContact CD1-CD2 3.76Å; I344-Y353 HydrophobicContact CD1-CE1 4Å; I344-Y353 HydrophobicContact CD1-CE2 4.06Å; I344-Y353 HydrophobicContact CD1-CG 3.57Å; I344-Y353 HydrophobicContact CG2-CD2 3.56Å; I344-Y353 HydrophobicContact CG2-CE2 3.75Å; I344-Y353 HydrophobicContact CG2-CG 4.41Å; I344-D407 HydrophobicContact CB-CB 4.43Å; I344-D407 HydrophobicContact CG1-CB 4.2Å; I344-D407 WeakPolarHBondContact CG1-O 3.49Å; I344-D407 HydrophobicContact CG2-CB 3.79Å; I344-A411 HydrophobicContact CD1-CB 3.89Å; I344-A411 HydrophobicContact CG1-CB 3.92Å
345	Q	97.3	Very high	97	Very high	93 Å²	93	67.4 Å²	67.4	44%	0.435	32%	0.322	S	S	.	.	H	α-helix	trans	-63.1	-31.3	-178.5	-168.3	179.6	8.1	0	0	112.8	V341 R342 A343 S348 K349	V341-Q345 PolarHBondContact O-N 3.42Å; R342-Q345 PolarHBondContact O-N 2.74Å; A343-Q345 PolarHBondContact O-N 3.11Å; Q345-S348 CarbonylContact O-C 3.56Å; Q345-S348 VanDerWaalsContact O-C 3.32Å; Q345-K349 VanDerWaalsContact O-CA 3.32Å; Q345-K349 WeakPolarHBondContact O-CA 3.07Å; Q345-K349 PolarHBondContact O-N 3.48Å
346	K	97.5	Very high	96.6	Very high	145 Å²	145	63.9 Å²	63.9	63%	0.63	31%	0.306	S	S	*	.	H	α-helix	trans	-70.1	-38	173.5	-75.7	178.2	177.5	-174.3	0	112.1	R342 A343 I344	R342-K346 WeakPolarHBondContact O-CG 3.17Å; R342-K346 PolarHBondContact O-N 3.37Å; R342-K346 VanDerWaalsContact O-N 3.07Å; A343-K346 PolarHBondContact O-N 2.88Å; I344-K346 VanDerWaalsContact C-N 3.25Å; I344-K346 PolarHBondContact O-N 3.39Å
347	T	96.8	Very high	95.9	Very high	67 Å²	67	65.6 Å²	65.6	41%	0.411	31%	0.312	S	S	.	.	H	α-helix	trans	-70.9	-43.4	176.6	-58.1	0	0	0	0	111.6	A343 I344 K406 D407 A410	A343-T347 PolarHBondContact O-N 3.33Å; A343-T347 PolarHBondContact O-OG1 3.07Å; I344-T347 PolarHBondContact O-N 3.24Å; T347-K406 HydrophobicContact CG2-CB 4.02Å; T347-D407 WeakPolarHBondContact CG2-OD1 3.33Å; T347-A410 WeakPolarHBondContact OG1-CB 3.42Å
348	S	95.8	Very high	94.3	Very high	21 Å²	21	65.6 Å²	65.6	15%	0.147	31%	0.313	C	S	.	.	S	Bend	trans	-127.8	93.1	179.9	-72	0	0	0	0	111.1	I344 Q345 N350 I351 R387 D407	I344-S348 PolarHBondContact O-N 2.7Å; Q345-S348 CarbonylContact O-C 3.56Å; Q345-S348 VanDerWaalsContact O-C 3.32Å; S348-N350 PolarHBondContact O-N 3.19Å; S348-I351 PolarHBondContact O-N 3.37Å; S348-R387 PolarHBondContact OG-NH2 2.91Å; S348-D407 WeakPolarHBondContact CB-OD1 3.44Å; S348-D407 VanDerWaalsContact OG-CG 3.28Å; S348-D407 PolarHBondContact OG-OD1 3.25Å; S348-D407 PolarHBondContact OG-OD2 3.31Å
349	K	89.4	Confident	92.9	Very high	176 Å²	176	63.9 Å²	63.9	77%	0.765	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-33.9	-172.2	-68.6	-175.4	179.3	179.8	0	115.8	Q345	Q345-K349 VanDerWaalsContact O-CA 3.32Å; Q345-K349 WeakPolarHBondContact O-CA 3.07Å; Q345-K349 PolarHBondContact O-N 3.48Å
350	N	92.4	Very high	91.6	Very high	159 Å²	159	66.4 Å²	66.4	85%	0.85	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	7.7	-174.8	-65.7	-22.5	0	0	0	113.7	S348	S348-N350 PolarHBondContact O-N 3.19Å
351	I	95.9	Very high	90.2	Very high	30 Å²	30	69 Å²	69	15%	0.154	33%	0.328	C	S	.	.			trans	-111	133.9	-176.8	-61.5	-70.9	0	0	0	108.4	I344 S348 Y353	I344-I351 HydrophobicContact CG2-CG2 4.11Å; S348-I351 PolarHBondContact O-N 3.37Å; I351-Y353 HydrophobicContact CG2-CD2 3.91Å; I351-Y353 HydrophobicContact CG2-CE2 3.66Å
352	R	95.4	Very high	89.1	Confident	192 Å²	192	70.4 Å²	70.4	73%	0.725	34%	0.335	S	S	*	.			trans	-128.3	121.4	-178.6	-60.4	-173	-161.2	179.6	5.6	108.5	Q314	Q314-R352 PolarHBondContact NE2-O 2.8Å
353	Y	98.1	Very high	88.4	Confident	13 Å²	13	65.3 Å²	65.3	5%	0.051	32%	0.316	C	S	.	.			trans	-95.7	140.9	166.1	-79.6	-123.5	0	0	0	108.1	Q314 I316 I344 I351 I384 E385 R387	Q314-Y353 HydrophobicContact CB-CD1 3.99Å; Q314-Y353 HydrophobicContact CB-CD2 3.73Å; Q314-Y353 HydrophobicContact CB-CE1 4.06Å; Q314-Y353 HydrophobicContact CB-CE2 3.8Å; Q314-Y353 HydrophobicContact CB-CG 3.83Å; Q314-Y353 HydrophobicContact CG-CD2 4.2Å; Q314-Y353 HydrophobicContact CG-CE1 4.47Å; Q314-Y353 HydrophobicContact CG-CE2 3.79Å; Q314-Y353 CarbonylContact O-C 3.59Å; Q314-Y353 WeakPolarHBondContact O-CA 2.99Å; I316-Y353 HydrophobicContact CG1-CD1 4.28Å; I344-Y353 HydrophobicContact CB-CD2 4.39Å; I344-Y353 HydrophobicContact CD1-CD1 3.7Å; I344-Y353 HydrophobicContact CD1-CD2 3.76Å; I344-Y353 HydrophobicContact CD1-CE1 4Å; I344-Y353 HydrophobicContact CD1-CE2 4.06Å; I344-Y353 HydrophobicContact CD1-CG 3.57Å; I344-Y353 HydrophobicContact CG2-CD2 3.56Å; I344-Y353 HydrophobicContact CG2-CE2 3.75Å; I344-Y353 HydrophobicContact CG2-CG 4.41Å; I351-Y353 HydrophobicContact CG2-CD2 3.91Å; I351-Y353 HydrophobicContact CG2-CE2 3.66Å; Y353-I384 HydrophobicContact CE1-CG2 4.32Å; Y353-E385 VanDerWaalsContact CE1-O 3.28Å; Y353-E385 WeakPolarHBondContact CE1-O 3.43Å; Y353-R387 PolarHBondContact OH-N 2.96Å
354	T	96.8	Very high	88.1	Confident	81 Å²	81	65.8 Å²	65.8	50%	0.497	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	163.6	167	43.5	0	0	0	0	108.7	Q314 H315 I316	Q314-T354 PolarHBondContact O-N 2.89Å; Q314-T354 PolarHBondContact O-OG1 3.1Å; H315-T354 CarbonylContact C-O 3.59Å; H315-T354 WeakPolarHBondContact CA-O 3.45Å; H315-T354 PolarHBondContact CE1-O 2.98Å; H315-T354 PolarHBondContact CE1-OG1 3.1Å; H315-T354 WeakPolarHBondContact ND1-CB 3.33Å; H315-T354 PolarHBondContact ND1-O 3.24Å; H315-T354 PolarHBondContact ND1-OG1 2.66Å; I316-T354 PolarHBondContact N-O 3.17Å
355	H	96.3	Very high	87.8	Confident	65 Å²	65	66.4 Å²	66.4	30%	0.301	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	156.6	175.2	63	-78.4	0	0	0	110.5	H315 I316 A337 V341	H315-H355 VanDerWaalsContact CE1-C 3.45Å; H315-H355 WeakPolarHBondContact CE1-CA 3.25Å; H315-H355 PolarHBondContact CE1-N 3.02Å; H315-H355 VanDerWaalsContact CE1-N 3.25Å; H315-H355 VanDerWaalsContact NE2-C 3.33Å; H315-H355 WeakPolarHBondContact NE2-CA 3.32Å; I316-H355 HydrophobicContact CB-CB 4.23Å; I316-H355 WeakPolarHBondContact O-CA 3.5Å; I316-H355 WeakPolarHBondContact O-CB 3.44Å; A337-H355 HydrophobicContact CB-CB 3.77Å; V341-H355 HydrophobicContact CG1-CB 4.15Å
356	G	91.2	Very high	87.8	Confident	10 Å²	10	62 Å²	62	10%	0.103	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.3	-172.9	178.3	0	0	0	0	0	112.7	H315 I316 V317 F318 T361	H315-G356 PolarHBondContact NE2-N 2.7Å; I316-G356 PolarHBondContact O-N 3.09Å; V317-G356 WeakPolarHBondContact CA-O 3.24Å; F318-G356 WeakPolarHBondContact CD1-O 3.29Å; F318-G356 WeakPolarHBondContact CE1-O 3.36Å; F318-G356 PolarHBondContact N-O 3.49Å; G356-T361 WeakPolarHBondContact CA-OG1 3.48Å
357	R	82.3	Confident	87.8	Confident	37 Å²	37	55.1 Å²	55.1	14%	0.14	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	142.4	175.8	-60.5	178.6	-74.1	169.9	1.6	109.9	F318 R324 H330 S359 E360 T361	F318-R357 HydrophobicContact CE2-CG 4.08Å; R324-R357 PolarHBondContact O-NH1 2.96Å; H330-R357 WeakPolarHBondContact CE1-CD 3.03Å; H330-R357 WeakPolarHBondContact CE1-CG 3.37Å; H330-R357 WeakPolarHBondContact ND1-CD 3.35Å; H330-R357 WeakPolarHBondContact ND1-CG 3.5Å; R357-S359 VanDerWaalsContact C-N 3.32Å; R357-S359 PolarHBondContact O-N 3.33Å; R357-E360 HydrophobicContact CB-CB 4.26Å; R357-E360 IonicContact CZ-OE2 3.93Å; R357-E360 VanDerWaalsContact CZ-OE2 3.25Å; R357-E360 IonicContact NE-OE2 2.71Å; R357-E360 PolarHBondContact NE-OE2 3.41Å; R357-E360 IonicContact NH2-OE1 3.55Å; R357-E360 IonicContact NH2-OE2 3.88Å; R357-E360 PolarHBondContact NH2-OE2 2.77Å; R357-E360 PolarHBondContact O-N 2.92Å; R357-E360 VanDerWaalsContact O-N 3.11Å; R357-T361 PolarHBondContact O-N 2.93Å; R357-T361 PolarHBondContact O-OG1 2.98Å
358	G	66.5	Low	87.9	Confident	1 Å²	1	52 Å²	52	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-57.5	-45	-177	0	0	0	0	0	113.1	F318 E360 L362 Y363	F318-G358 PolarHBondContact O-N 3.27Å; G358-E360 VanDerWaalsContact C-N 3.3Å; G358-E360 PolarHBondContact O-N 2.96Å; G358-L362 PolarHBondContact O-N 2.78Å; G358-Y363 PolarHBondContact O-N 2.95Å
359	S	67.8	Low	88	Confident	3 Å²	3	51 Å²	51	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-68.2	-23.7	-179.4	61.3	0	0	0	0	115.1	Y320 T323 R324 R357	Y320-S359 PolarHBondContact O-N 3.06Å; Y320-S359 PolarHBondContact O-OG 2.83Å; T323-S359 WeakPolarHBondContact O-CB 3.4Å; T323-S359 PolarHBondContact O-OG 2.66Å; R324-S359 PolarHBondContact NH1-O 3.1Å; R357-S359 VanDerWaalsContact C-N 3.32Å; R357-S359 PolarHBondContact O-N 3.33Å
360	E	72.2	Confident	88.4	Confident	118 Å²	118	42.9 Å²	42.9	55%	0.551	21%	0.211	S	C	*	.	H	α-helix	trans	-93.1	-39.7	179.3	-178.5	172.2	-165.2	0	0	111.5	R357 G358	R357-E360 HydrophobicContact CB-CB 4.26Å; R357-E360 IonicContact CZ-OE2 3.93Å; R357-E360 VanDerWaalsContact CZ-OE2 3.25Å; R357-E360 IonicContact NE-OE2 2.71Å; R357-E360 PolarHBondContact NE-OE2 3.41Å; R357-E360 IonicContact NH2-OE1 3.55Å; R357-E360 IonicContact NH2-OE2 3.88Å; R357-E360 PolarHBondContact NH2-OE2 2.77Å; R357-E360 PolarHBondContact O-N 2.92Å; R357-E360 VanDerWaalsContact O-N 3.11Å; G358-E360 VanDerWaalsContact C-N 3.3Å; G358-E360 PolarHBondContact O-N 2.96Å
361	T	69.6	Low	88.6	Confident	55 Å²	55	35.3 Å²	35.3	34%	0.337	17%	0.171	S	C	.	.	H	α-helix	trans	-96.3	-25.3	-170.5	-38.5	0	0	0	0	114.5	H315 G356 R357	H315-T361 WeakPolarHBondContact CE1-CG2 3.17Å; H315-T361 WeakPolarHBondContact NE2-CB 3.28Å; H315-T361 VanDerWaalsContact NE2-CG2 3.29Å; H315-T361 WeakPolarHBondContact NE2-CG2 3.19Å; G356-T361 WeakPolarHBondContact CA-OG1 3.48Å; R357-T361 PolarHBondContact O-N 2.93Å; R357-T361 PolarHBondContact O-OG1 2.98Å
362	L	74	Confident	88.8	Confident	48 Å²	48	34.2 Å²	34.2	25%	0.251	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-88.1	171.4	-63.1	178.9	0	0	0	109.7	V317 G358 E385	V317-L362 HydrophobicContact CG2-CD1 3.56Å; V317-L362 HydrophobicContact CG2-CG 4.09Å; G358-L362 PolarHBondContact O-N 2.78Å; L362-E385 HydrophobicContact CD1-CG 4.4Å
363	Y	83.7	Confident	88.9	Confident	51 Å²	51	25.2 Å²	25.2	20%	0.2	13%	0.131	C	C	.	.			trans	-172.6	169.7	-176.6	49.5	-83.7	0	0	0	108.1	V57 L61 R257 G358 A365	V57-Y363 HydrophobicContact CG1-CE2 3.59Å; V57-Y363 WeakPolarHBondContact CG1-OH 3.26Å; L61-Y363 HydrophobicContact CD1-CD1 4.41Å; L61-Y363 HydrophobicContact CD1-CD2 3.4Å; L61-Y363 VanDerWaalsContact CD1-CD2 3.4Å; L61-Y363 HydrophobicContact CD1-CE2 3.79Å; L61-Y363 HydrophobicContact CD1-CG 3.78Å; L61-Y363 HydrophobicContact CD2-CD2 4.47Å; R257-Y363 VanDerWaalsContact NH2-CE2 3.28Å; G358-Y363 PolarHBondContact O-N 2.95Å; Y363-A365 PolarHBondContact O-N 2.94Å
364	L	91.9	Very high	89	Confident	16 Å²	16	25.2 Å²	25.2	8%	0.084	13%	0.131	C	C	.	.			trans	-64.2	133.7	174.4	-72	169.1	0	0	0	110.2	E267 G268 S321 R324	E267-L364 HydrophobicContact CB-CD1 4.16Å; E267-L364 HydrophobicContact CG-CD1 3.87Å; E267-L364 WeakPolarHBondContact O-CB 3.29Å; G268-L364 WeakPolarHBondContact CA-O 3.41Å; S321-L364 WeakPolarHBondContact O-CA 3.46Å; R324-L364 HydrophobicContact CG-CD2 4.39Å
365	A	93.9	Very high	89.1	Confident	14 Å²	14	23.6 Å²	23.6	12%	0.116	12%	0.119	C	C	.	.			trans	-144.5	68.2	-175.5	0	0	0	0	0	111	R257 S321 Y363	R257-A365 VanDerWaalsContact CZ-CB 3.45Å; R257-A365 VanDerWaalsContact NH2-CB 3.28Å; S321-A365 PolarHBondContact O-N 3.12Å; Y363-A365 PolarHBondContact O-N 2.94Å
366	P	96.9	Very high	89.2	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	154	178.7	28.3	-33.5	0	0	0	112.5	R257 H263 E267 A269 G368	R257-P366 WeakPolarHBondContact CD-O 3.43Å; H263-P366 HydrophobicContact CB-CB 4.36Å; H263-P366 WeakPolarHBondContact O-CB 3.3Å; E267-P366 WeakPolarHBondContact O-CD 3.13Å; E267-P366 WeakPolarHBondContact O-CG 3.49Å; A269-P366 HydrophobicContact CB-CG 3.98Å; P366-G368 VanDerWaalsContact C-N 3.3Å
367	G	97.5	Very high	89.5	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	14.5	-177.1	0	0	0	0	0	113.8	N256 R257 N258 F259 S261	N256-G367 CarbonylContact C-O 3.6Å; N256-G367 CarbonylContact O-C 3.32Å; R257-G367 CarbonylContact C-O 3.54Å; R257-G367 VanDerWaalsContact C-O 3.3Å; R257-G367 WeakPolarHBondContact CA-O 3.25Å; N258-G367 PolarHBondContact N-O 3.14Å; F259-G367 WeakPolarHBondContact CB-O 3.46Å; F259-G367 PolarHBondContact N-O 3.05Å; F259-G367 WeakPolarHBondContact O-CA 3.39Å; S261-G367 VanDerWaalsContact OG-CA 3.29Å; S261-G367 WeakPolarHBondContact OG-CA 3.13Å; S261-G367 PolarHBondContact OG-N 3.32Å
368	G	97.8	Very high	90.3	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.01	14%	0.144	C	C	.	.			trans	-71.6	145.5	171.7	0	0	0	0	0	112.4	N256 P366 D370 W372	N256-G368 VanDerWaalsContact OD1-CA 3.27Å; N256-G368 WeakPolarHBondContact OD1-CA 3.48Å; P366-G368 VanDerWaalsContact C-N 3.3Å; G368-D370 VanDerWaalsContact C-N 3.33Å; G368-W372 WeakPolarHBondContact O-CB 3.35Å; G368-W372 PolarHBondContact O-N 3.21Å; G368-W372 VanDerWaalsContact O-N 3.14Å
369	A	97.6	Very high	91.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-67.2	-34.5	179.6	0	0	0	0	0	112.9	N256 F259 Y306 W372 I373	N256-A369 PolarHBondContact OD1-N 3.02Å; N256-A369 VanDerWaalsContact OD1-N 3.16Å; F259-A369 HydrophobicContact CD1-CB 3.95Å; F259-A369 HydrophobicContact CD2-CB 3.67Å; F259-A369 HydrophobicContact CE1-CB 3.88Å; F259-A369 HydrophobicContact CE2-CB 3.62Å; F259-A369 HydrophobicContact CG-CB 3.85Å; F259-A369 HydrophobicContact CZ-CB 3.72Å; Y306-A369 HydrophobicContact CE1-CB 4.19Å; Y306-A369 HydrophobicContact CE2-CB 4.38Å; Y306-A369 WeakPolarHBondContact OH-CB 3.41Å; A369-W372 PolarHBondContact O-N 3.29Å; A369-I373 WeakPolarHBondContact O-CB 3.19Å; A369-I373 WeakPolarHBondContact O-CG2 3.33Å; A369-I373 PolarHBondContact O-N 3.03Å
370	D	97.9	Very high	93.3	Very high	6 Å²	6	28.1 Å²	28.1	3%	0.032	16%	0.156	C	C	.	.	H	α-helix	trans	-63.6	-46.4	179.2	55	-8.1	0	0	0	112.3	Y306 G368 Y374 S381 T383	Y306-D370 HydrophobicContact CD1-CB 4.19Å; Y306-D370 HydrophobicContact CE1-CB 3.95Å; G368-D370 VanDerWaalsContact C-N 3.33Å; D370-Y374 WeakPolarHBondContact O-CB 3.18Å; D370-Y374 PolarHBondContact O-N 2.95Å; D370-S381 VanDerWaalsContact C-OG 3.29Å; D370-S381 WeakPolarHBondContact CA-OG 3.22Å; D370-S381 WeakPolarHBondContact CB-OG 3.49Å; D370-S381 WeakPolarHBondContact O-CB 3.5Å; D370-S381 PolarHBondContact O-OG 3.21Å; D370-T383 PolarHBondContact OD2-OG1 3.19Å
371	D	98.4	Very high	94.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-67.2	-44.6	174.6	-82.5	-7.6	0	0	0	111.9	P319 Y320 S321 Y322 I373 Y374 D375	P319-D371 WeakPolarHBondContact CA-OD1 3.41Å; P319-D371 VanDerWaalsContact CB-OD1 3.24Å; P319-D371 WeakPolarHBondContact CB-OD1 3.49Å; Y320-D371 VanDerWaalsContact CA-OD1 3.31Å; Y320-D371 WeakPolarHBondContact CA-OD1 3.24Å; Y320-D371 HydrophobicContact CD1-CB 4.48Å; S321-D371 VanDerWaalsContact CA-OD2 3.3Å; S321-D371 WeakPolarHBondContact CA-OD2 3.41Å; S321-D371 WeakPolarHBondContact CB-OD2 3.44Å; S321-D371 VanDerWaalsContact N-CG 3.31Å; S321-D371 PolarHBondContact N-OD1 3.16Å; S321-D371 PolarHBondContact N-OD2 3.12Å; Y322-D371 HydrophobicContact CD1-CB 3.62Å; Y322-D371 WeakPolarHBondContact CD1-OD2 3.3Å; Y322-D371 HydrophobicContact CE1-CB 3.96Å; Y322-D371 PolarHBondContact N-OD2 2.9Å; D371-I373 PolarHBondContact O-N 3.33Å; D371-Y374 PolarHBondContact O-N 2.85Å; D371-D375 PolarHBondContact O-N 3.02Å
372	W	98.8	Very high	95.9	Very high	8 Å²	8	19.9 Å²	19.9	3%	0.03	11%	0.113	C	C	.	.	H	α-helix	trans	-59	-47.2	-179.6	163.6	67.8	0	0	0	111.6	F259 A260 A293 L296 R297 G368 A369 D375 L376	F259-W372 HydrophobicContact CB-CB 3.83Å; F259-W372 HydrophobicContact CB-CD2 4.35Å; F259-W372 HydrophobicContact CB-CG 4.04Å; F259-W372 HydrophobicContact CD1-CD2 4.06Å; F259-W372 AromaticContact CD1-CE3 3.6Å; F259-W372 HydrophobicContact CD1-CE3 3.6Å; F259-W372 HydrophobicContact CD1-CZ3 4.06Å; F259-W372 HydrophobicContact CE1-CE3 4.25Å; F259-W372 HydrophobicContact CE1-CZ3 4.32Å; F259-W372 HydrophobicContact CG-CE3 4.43Å; A260-W372 VanDerWaalsContact C-CD1 3.46Å; A293-W372 VanDerWaalsContact CA-CH2 3.41Å; A293-W372 HydrophobicContact CB-CH2 3.62Å; A293-W372 HydrophobicContact CB-CZ2 3.81Å; A293-W372 HydrophobicContact CB-CZ3 4.19Å; L296-W372 HydrophobicContact CB-CH2 4Å; L296-W372 HydrophobicContact CB-CZ3 4.27Å; L296-W372 HydrophobicContact CD1-CH2 4.18Å; L296-W372 HydrophobicContact CD1-CZ3 3.63Å; R297-W372 HydrophobicContact CG-CZ2 4.21Å; G368-W372 WeakPolarHBondContact O-CB 3.35Å; G368-W372 PolarHBondContact O-N 3.21Å; G368-W372 VanDerWaalsContact O-N 3.14Å; A369-W372 PolarHBondContact O-N 3.29Å; W372-D375 PolarHBondContact O-N 2.88Å; W372-L376 HydrophobicContact CD2-CD1 4.37Å; W372-L376 HydrophobicContact CH2-CD1 4.16Å; W372-L376 HydrophobicContact CZ2-CD1 3.42Å; W372-L376 VanDerWaalsContact CZ2-CD1 3.42Å; W372-L376 WeakPolarHBondContact O-CG 3.43Å; W372-L376 PolarHBondContact O-N 3.49Å
373	I	98.7	Very high	97.1	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-73.8	-29.5	-178.2	-152.1	-175.9	0	0	0	112.4	L296 Y306 A369 D371 L376 G377 I378	L296-I373 HydrophobicContact CB-CD1 4.36Å; L296-I373 HydrophobicContact CD1-CD1 4.01Å; L296-I373 HydrophobicContact CD2-CD1 3.98Å; L296-I373 HydrophobicContact CG-CD1 4.35Å; Y306-I373 HydrophobicContact CD1-CG2 3.94Å; Y306-I373 HydrophobicContact CD2-CD1 3.87Å; Y306-I373 HydrophobicContact CD2-CG2 4.09Å; Y306-I373 HydrophobicContact CG-CD1 4.21Å; Y306-I373 HydrophobicContact CG-CG2 3.62Å; A369-I373 WeakPolarHBondContact O-CB 3.19Å; A369-I373 WeakPolarHBondContact O-CG2 3.33Å; A369-I373 PolarHBondContact O-N 3.03Å; D371-I373 PolarHBondContact O-N 3.33Å; I373-L376 PolarHBondContact O-N 3.25Å; I373-G377 PolarHBondContact O-N 2.87Å; I373-I378 HydrophobicContact CD1-CB 4.22Å; I373-I378 HydrophobicContact CD1-CG1 3.8Å; I373-I378 HydrophobicContact CD1-CG2 4.44Å; I373-I378 HydrophobicContact CG1-CB 3.99Å; I373-I378 HydrophobicContact CG1-CG1 3.64Å; I373-I378 HydrophobicContact CG2-CB 4.39Å; I373-I378 PolarHBondContact O-N 2.92Å; I373-I378 VanDerWaalsContact O-N 3.13Å
374	Y	98.8	Very high	97.8	Very high	14 Å²	14	15.4 Å²	15.4	6%	0.055	9%	0.093	C	C	.	.	H	α-helix	trans	-64.5	-43	171.6	-179.6	-95.9	0	0	0	111.5	P319 Y320 K328 D329 L333 D370 D371 L376 G377 I378 K379	P319-Y374 HydrophobicContact CB-CD1 3.95Å; P319-Y374 HydrophobicContact CB-CD2 4.48Å; P319-Y374 HydrophobicContact CB-CG 3.92Å; P319-Y374 HydrophobicContact CG-CD1 4.45Å; P319-Y374 HydrophobicContact CG-CD2 4.36Å; P319-Y374 HydrophobicContact CG-CG 3.92Å; Y320-Y374 HydrophobicContact CD1-CD1 4.44Å; Y320-Y374 AromaticContact CE1-CD1 3.56Å; Y320-Y374 HydrophobicContact CE1-CD1 3.56Å; Y320-Y374 AromaticContact CE1-CE1 3.99Å; Y320-Y374 HydrophobicContact CE1-CE1 3.99Å; Y320-Y374 HydrophobicContact CE2-CE1 4.19Å; Y320-Y374 AromaticContact CZ-CD1 3.66Å; Y320-Y374 AromaticContact CZ-CE1 3.6Å; Y320-Y374 WeakPolarHBondContact OH-CE1 3.28Å; K328-Y374 PolarHBondContact N-OH 3.09Å; D329-Y374 PolarHBondContact N-OH 2.67Å; D329-Y374 VanDerWaalsContact N-OH 3.15Å; D329-Y374 PolarHBondContact OD2-OH 3.03Å; L333-Y374 HydrophobicContact CD1-CD2 4.5Å; L333-Y374 HydrophobicContact CD1-CE2 4.02Å; D370-Y374 WeakPolarHBondContact O-CB 3.18Å; D370-Y374 PolarHBondContact O-N 2.95Å; D371-Y374 PolarHBondContact O-N 2.85Å; Y374-L376 PolarHBondContact O-N 3.33Å; Y374-G377 PolarHBondContact O-N 3.1Å; Y374-I378 WeakPolarHBondContact CA-O 3.42Å; Y374-K379 VanDerWaalsContact CD2-O 3.3Å; Y374-K379 WeakPolarHBondContact CD2-O 3.39Å; Y374-K379 WeakPolarHBondContact CE2-O 3.41Å
375	D	98.4	Very high	98.1	Very high	47 Å²	47	15.7 Å²	15.7	25%	0.251	9%	0.094	S	C	.	.	H	α-helix	trans	-62.8	-23	174.1	-82.3	-19	0	0	0	112.7	K262 Y320 Y322 D371 W372 G377	K262-D375 IonicContact NZ-OD1 3.96Å; Y320-D375 WeakPolarHBondContact CE1-OD1 3.28Å; Y320-D375 PolarHBondContact OH-OD1 3.35Å; Y322-D375 VanDerWaalsContact CE1-OD2 3.29Å; Y322-D375 WeakPolarHBondContact CE1-OD2 3.25Å; Y322-D375 PolarHBondContact OH-OD1 2.83Å; Y322-D375 PolarHBondContact OH-OD2 3.37Å; Y322-D375 VanDerWaalsContact OH-OD2 3.1Å; D371-D375 PolarHBondContact O-N 3.02Å; W372-D375 PolarHBondContact O-N 2.88Å; D375-G377 VanDerWaalsContact C-N 3.32Å
376	L	98.4	Very high	98.4	Very high	77 Å²	77	15 Å²	15	40%	0.403	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	2	171.9	-63.4	-177.8	0	0	0	114.2	R297 I300 W372 I373 Y374	R297-L376 HydrophobicContact CG-CD1 4.37Å; I300-L376 HydrophobicContact CD1-CB 3.7Å; I300-L376 HydrophobicContact CD1-CD1 4.18Å; W372-L376 HydrophobicContact CD2-CD1 4.37Å; W372-L376 HydrophobicContact CH2-CD1 4.16Å; W372-L376 HydrophobicContact CZ2-CD1 3.42Å; W372-L376 VanDerWaalsContact CZ2-CD1 3.42Å; W372-L376 WeakPolarHBondContact O-CG 3.43Å; W372-L376 PolarHBondContact O-N 3.49Å; I373-L376 PolarHBondContact O-N 3.25Å; Y374-L376 PolarHBondContact O-N 3.33Å
377	G	98.1	Very high	98.5	Very high	59 Å²	59	16 Å²	16	61%	0.608	9%	0.092	S	C	*	.	T	Hydrogen-bonded Turn	trans	100.6	4.5	173.8	0	0	0	0	0	115.6	I373 Y374 D375 K379	I373-G377 PolarHBondContact O-N 2.87Å; Y374-G377 PolarHBondContact O-N 3.1Å; D375-G377 VanDerWaalsContact C-N 3.32Å; G377-K379 PolarHBondContact O-N 3.12Å
378	I	98.6	Very high	98.5	Very high	10 Å²	10	16.7 Å²	16.7	5%	0.051	10%	0.096	C	C	.	.			trans	-79.3	91.2	171.1	-55.4	-51	0	0	0	108.9	I300 I303 I373 Y374 Y380	I300-I378 HydrophobicContact CG1-CD1 3.84Å; I300-I378 HydrophobicContact CG1-CG1 4.21Å; I303-I378 HydrophobicContact CB-CD1 4.49Å; I303-I378 HydrophobicContact CG2-CD1 4.38Å; I303-I378 HydrophobicContact CG2-CG1 4.48Å; I303-I378 HydrophobicContact CG2-CG2 4.41Å; I303-I378 WeakPolarHBondContact O-CD1 3.43Å; I373-I378 HydrophobicContact CD1-CB 4.22Å; I373-I378 HydrophobicContact CD1-CG1 3.8Å; I373-I378 HydrophobicContact CD1-CG2 4.44Å; I373-I378 HydrophobicContact CG1-CB 3.99Å; I373-I378 HydrophobicContact CG1-CG1 3.64Å; I373-I378 HydrophobicContact CG2-CB 4.39Å; I373-I378 PolarHBondContact O-N 2.92Å; I373-I378 VanDerWaalsContact O-N 3.13Å; Y374-I378 WeakPolarHBondContact CA-O 3.42Å; I378-Y380 PolarHBondContact O-N 3.28Å
379	K	98.6	Very high	98.5	Very high	57 Å²	57	21 Å²	21	25%	0.248	12%	0.122	C	C	.	.			trans	-52.6	-50.3	-174.8	174.7	170.8	172.4	147.3	0	113.4	D329 E332 L333 Y374 G377 S381	D329-K379 HydrophobicContact CB-CD 4.34Å; D329-K379 HydrophobicContact CB-CG 4.15Å; D329-K379 VanDerWaalsContact OD1-CE 3.24Å; D329-K379 WeakPolarHBondContact OD1-CE 3.48Å; D329-K379 IonicContact OD1-NZ 3.54Å; D329-K379 PolarHBondContact OD1-NZ 3.12Å; E332-K379 VanDerWaalsContact CD-CE 3.45Å; E332-K379 IonicContact OE1-NZ 2.61Å; E332-K379 WeakPolarHBondContact OE2-CE 3.42Å; E332-K379 IonicContact OE2-NZ 2.77Å; E332-K379 PolarHBondContact OE2-NZ 3.12Å; L333-K379 WeakPolarHBondContact CD2-O 3.29Å; Y374-K379 VanDerWaalsContact CD2-O 3.3Å; Y374-K379 WeakPolarHBondContact CD2-O 3.39Å; Y374-K379 WeakPolarHBondContact CE2-O 3.41Å; G377-K379 PolarHBondContact O-N 3.12Å; K379-S381 PolarHBondContact O-N 3.38Å; K379-S381 VanDerWaalsContact O-N 3.11Å
380	Y	98.8	Very high	98.5	Very high	7 Å²	7	21.1 Å²	21.1	3%	0.027	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	81.2	-174.5	-59.8	-68.1	0	0	0	110.7	A305 Y306 E332 L333 V336 I378 F382 H418 V419 N422 V423	A305-Y380 CarbonylContact C-O 3.55Å; A305-Y380 WeakPolarHBondContact CA-O 3.41Å; A305-Y380 WeakPolarHBondContact CB-O 3.16Å; Y306-Y380 PolarHBondContact N-O 3.26Å; E332-Y380 WeakPolarHBondContact OE1-CE1 3.31Å; E332-Y380 PolarHBondContact OE1-OH 3.48Å; L333-Y380 HydrophobicContact CD2-CD1 4.16Å; V336-Y380 HydrophobicContact CG2-CE1 4.42Å; I378-Y380 PolarHBondContact O-N 3.28Å; Y380-F382 HydrophobicContact CD1-CE2 4.46Å; Y380-H418 AromaticContact CE1-CD2 3.48Å; Y380-H418 VanDerWaalsContact CE1-CD2 3.48Å; Y380-H418 WeakPolarHBondContact CE1-CD2 3.32Å; Y380-H418 AromaticContact CE1-NE2 3.77Å; Y380-H418 AromaticContact CZ-CD2 3.79Å; Y380-V419 HydrophobicContact CD1-CG2 4.36Å; Y380-V419 HydrophobicContact CD2-CB 4.19Å; Y380-V419 HydrophobicContact CD2-CG1 4.04Å; Y380-V419 HydrophobicContact CD2-CG2 3.61Å; Y380-V419 HydrophobicContact CE2-CB 4.48Å; Y380-V419 HydrophobicContact CE2-CG1 4.41Å; Y380-V419 HydrophobicContact CE2-CG2 4.26Å; Y380-V419 HydrophobicContact CG-CG2 3.67Å; Y380-N422 WeakPolarHBondContact OH-CB 3.33Å; Y380-V423 HydrophobicContact CD2-CG1 4.48Å; Y380-V423 HydrophobicContact CE2-CG1 3.97Å
381	S	98.8	Very high	98.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	123.3	179.9	-170.2	0	0	0	0	110.3	Y306 P319 D370 K379	Y306-S381 CarbonylContact O-C 3.53Å; Y306-S381 WeakPolarHBondContact O-CA 3.34Å; P319-S381 WeakPolarHBondContact CD-O 3.45Å; D370-S381 VanDerWaalsContact C-OG 3.29Å; D370-S381 WeakPolarHBondContact CA-OG 3.22Å; D370-S381 WeakPolarHBondContact CB-OG 3.49Å; D370-S381 WeakPolarHBondContact O-CB 3.5Å; D370-S381 PolarHBondContact O-OG 3.21Å; K379-S381 PolarHBondContact O-N 3.38Å; K379-S381 VanDerWaalsContact O-N 3.11Å
382	F	98.9	Very high	98.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	146.8	-175.1	-61.3	-82.7	0	0	0	111.7	Y306 I307 S308 I316 V317 F318 L333 V336 A337 Y380 I415	Y306-F382 PolarHBondContact O-N 3.11Å; I307-F382 CarbonylContact C-O 3.47Å; I307-F382 VanDerWaalsContact CA-O 3.3Å; I307-F382 WeakPolarHBondContact CA-O 3.45Å; S308-F382 PolarHBondContact N-O 2.94Å; I316-F382 HydrophobicContact CG2-CD1 4.13Å; V317-F382 WeakPolarHBondContact O-CA 3.25Å; F318-F382 HydrophobicContact CB-CD1 3.89Å; F318-F382 HydrophobicContact CB-CE1 4.04Å; F318-F382 HydrophobicContact CD1-CE1 4.5Å; L333-F382 HydrophobicContact CB-CE1 4.36Å; L333-F382 HydrophobicContact CD2-CE1 4.17Å; L333-F382 HydrophobicContact CD2-CE2 4.24Å; L333-F382 HydrophobicContact CD2-CZ 3.63Å; V336-F382 HydrophobicContact CB-CE1 4.41Å; V336-F382 HydrophobicContact CB-CZ 3.8Å; V336-F382 HydrophobicContact CG1-CE1 4.32Å; V336-F382 HydrophobicContact CG1-CE2 4.02Å; V336-F382 HydrophobicContact CG1-CZ 3.56Å; A337-F382 HydrophobicContact CB-CE1 4.29Å; Y380-F382 HydrophobicContact CD1-CE2 4.46Å; F382-I415 HydrophobicContact CD2-CD1 4.13Å; F382-I415 HydrophobicContact CD2-CG1 4.48Å; F382-I415 HydrophobicContact CD2-CG2 3.88Å; F382-I415 HydrophobicContact CE2-CG1 4.49Å; F382-I415 HydrophobicContact CE2-CG2 3.79Å; F382-I415 HydrophobicContact CG-CD1 4.23Å
383	T	98.8	Very high	98.4	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.031	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.5	166.8	-73.5	0	0	0	0	108.1	S308 H310 I316 V317 D370	S308-T383 CarbonylContact O-C 3.55Å; S308-T383 WeakPolarHBondContact O-CA 3.22Å; H310-T383 HydrophobicContact CB-CG2 4.46Å; I316-T383 CarbonylContact C-O 3.39Å; I316-T383 WeakPolarHBondContact CA-O 3.29Å; V317-T383 HydrophobicContact CB-CG2 4.49Å; V317-T383 PolarHBondContact N-O 2.87Å; V317-T383 PolarHBondContact O-N 3.21Å; D370-T383 PolarHBondContact OD2-OG1 3.19Å
384	I	98.8	Very high	98.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	107.5	-179.9	-57.1	179.9	0	0	0	109.3	I307 S308 M309 H310 I316 Y353 L386 A411 V412 I415	I307-I384 HydrophobicContact CG2-CD1 3.8Å; I307-I384 HydrophobicContact CG2-CG1 4.11Å; S308-I384 PolarHBondContact O-N 2.82Å; M309-I384 HydrophobicContact CE-CB 3.86Å; M309-I384 HydrophobicContact CE-CD1 4.26Å; M309-I384 HydrophobicContact CE-CG2 3.95Å; M309-I384 HydrophobicContact SD-CB 4.04Å; M309-I384 HydrophobicContact SD-CD1 4.06Å; M309-I384 HydrophobicContact SD-CG1 4.37Å; H310-I384 PolarHBondContact N-O 2.85Å; I316-I384 HydrophobicContact CG1-CG1 4.31Å; I316-I384 HydrophobicContact CG1-CG2 4.36Å; I316-I384 HydrophobicContact CG2-CG1 4.42Å; Y353-I384 HydrophobicContact CE1-CG2 4.32Å; I384-L386 HydrophobicContact CG2-CD2 3.91Å; I384-L386 PolarHBondContact O-N 3.18Å; I384-A411 HydrophobicContact CD1-CB 4.4Å; I384-V412 HydrophobicContact CD1-CG2 4.34Å; I384-I415 HydrophobicContact CD1-CD1 4.19Å
385	E	98.6	Very high	98.4	Very high	23 Å²	23	27.7 Å²	27.7	11%	0.107	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	104.8	171.5	-65.9	-71	178.4	0	0	109.7	H310 S311 S313 Q314 H315 Y353 L362	H310-E385 HydrophobicContact CB-CG 4.49Å; H310-E385 VanDerWaalsContact CB-OE2 3.31Å; H310-E385 WeakPolarHBondContact CB-OE2 3.46Å; S311-E385 WeakPolarHBondContact CA-OE2 3.49Å; S311-E385 PolarHBondContact N-OE2 2.91Å; S313-E385 VanDerWaalsContact OG-CB 3.23Å; S313-E385 WeakPolarHBondContact OG-CB 3.48Å; Q314-E385 CarbonylContact C-O 3.47Å; Q314-E385 WeakPolarHBondContact CA-O 3.45Å; Q314-E385 PolarHBondContact N-O 3.48Å; Q314-E385 VanDerWaalsContact N-O 3.14Å; H315-E385 HydrophobicContact CB-CB 3.99Å; H315-E385 HydrophobicContact CB-CG 4.31Å; H315-E385 PolarHBondContact N-O 3.45Å; H315-E385 WeakPolarHBondContact O-CB 3.22Å; H315-E385 PolarHBondContact O-N 2.78Å; Y353-E385 VanDerWaalsContact CE1-O 3.28Å; Y353-E385 WeakPolarHBondContact CE1-O 3.43Å; L362-E385 HydrophobicContact CD1-CG 4.4Å
386	L	98.9	Very high	98.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	-172.8	-175.5	-64.5	174.9	0	0	0	112.7	I186 F190 M309 H310 Y312 S313 Q314 I384 T404 A408	I186-L386 HydrophobicContact CG1-CD1 4.17Å; I186-L386 HydrophobicContact CG2-CB 4.06Å; I186-L386 HydrophobicContact CG2-CD1 4.19Å; F190-L386 HydrophobicContact CB-CD1 4.19Å; M309-L386 HydrophobicContact CE-CD1 4.03Å; M309-L386 HydrophobicContact CE-CD2 3.72Å; M309-L386 HydrophobicContact CE-CG 4.05Å; H310-L386 VanDerWaalsContact O-CB 3.3Å; H310-L386 WeakPolarHBondContact O-CB 3.32Å; H310-L386 VanDerWaalsContact O-CG 3.31Å; H310-L386 WeakPolarHBondContact O-CG 3.47Å; H310-L386 PolarHBondContact O-N 3.07Å; Y312-L386 WeakPolarHBondContact CA-O 3.17Å; S313-L386 PolarHBondContact N-O 2.8Å; S313-L386 VanDerWaalsContact N-O 3.11Å; Q314-L386 PolarHBondContact N-O 2.96Å; Q314-L386 VanDerWaalsContact N-O 3.16Å; I384-L386 HydrophobicContact CG2-CD2 3.91Å; I384-L386 PolarHBondContact O-N 3.18Å; L386-T404 HydrophobicContact CB-CG2 4.01Å; L386-T404 HydrophobicContact CD1-CG2 4.42Å; L386-T404 HydrophobicContact CD2-CG2 4.12Å; L386-T404 HydrophobicContact CG-CG2 4.43Å; L386-A408 HydrophobicContact CD2-CB 3.68Å
387	R	98.7	Very high	98.5	Very high	19 Å²	19	22.6 Å²	22.6	7%	0.072	13%	0.126	C	C	.	.	S	Bend	trans	-62.9	156.7	179.6	-62.9	-157.1	-166.1	175.6	9.1	112.3	Q314 S348 Y353 L396 T404 D407	Q314-R387 HydrophobicContact CG-CG 4.24Å; S348-R387 PolarHBondContact OG-NH2 2.91Å; Y353-R387 PolarHBondContact OH-N 2.96Å; R387-L396 HydrophobicContact CB-CD1 4.41Å; R387-L396 HydrophobicContact CB-CD2 4.07Å; R387-T404 HydrophobicContact CB-CG2 4.11Å; R387-T404 VanDerWaalsContact CD-OG1 3.3Å; R387-T404 WeakPolarHBondContact CD-OG1 3.48Å; R387-T404 HydrophobicContact CG-CG2 3.94Å; R387-T404 WeakPolarHBondContact CG-OG1 3.3Å; R387-D407 IonicContact CZ-OD2 2.67Å; R387-D407 IonicContact NE-OD2 3.77Å; R387-D407 PolarHBondContact NE-OD2 3.02Å; R387-D407 IonicContact NH2-OD2 2.79Å; R387-D407 PolarHBondContact NH2-OD2 3.42Å
388	D	98.3	Very high	98.5	Very high	16 Å²	16	21.4 Å²	21.4	9%	0.086	11%	0.105	C	C	.	.			cis	-105.6	-150.2	-6.2	64.9	17	0	0	0	111.5	Y312 S313 G390 K391 Y392 G393 L396	Y312-D388 WeakPolarHBondContact CB-O 3.44Å; Y312-D388 WeakPolarHBondContact CD2-O 3.48Å; S313-D388 CarbonylContact C-O 3.58Å; S313-D388 VanDerWaalsContact CA-O 3.25Å; S313-D388 WeakPolarHBondContact CA-O 3.3Å; S313-D388 PolarHBondContact N-O 3.18Å; D388-G390 WeakPolarHBondContact OD1-CA 3.45Å; D388-G390 PolarHBondContact OD1-N 2.87Å; D388-K391 PolarHBondContact OD1-N 3.05Å; D388-K391 WeakPolarHBondContact OD2-CB 3.49Å; D388-Y392 PolarHBondContact OD1-N 3.13Å; D388-Y392 WeakPolarHBondContact OD2-CB 3.37Å; D388-Y392 WeakPolarHBondContact OD2-CD2 3.34Å; D388-Y392 PolarHBondContact OD2-N 2.93Å; D388-G393 PolarHBondContact OD1-N 3.31Å; D388-L396 HydrophobicContact CB-CD1 4.1Å
389	T	97.5	Very high	98.5	Very high	91 Å²	91	28.2 Å²	28.2	56%	0.558	13%	0.13	S	C	*	.	S	Bend	trans	-101.8	17.1	177.3	61.5	0	0	0	0	112.6	Q314	Q314-T389 HydrophobicContact CB-CG2 4.36Å; Q314-T389 HydrophobicContact CG-CG2 4.09Å
390	G	96.9	Very high	98.5	Very high	3 Å²	3	28.5 Å²	28.5	3%	0.031	13%	0.13	C	C	.	.	S	Bend	trans	115.6	-1.9	177.4	0	0	0	0	0	115.5	L94 Y312 D388	L94-G390 VanDerWaalsContact CD1-O 3.29Å; L94-G390 WeakPolarHBondContact CD1-O 3.36Å; Y312-G390 VanDerWaalsContact CE2-CA 3.46Å; D388-G390 WeakPolarHBondContact OD1-CA 3.45Å; D388-G390 PolarHBondContact OD1-N 2.87Å
391	K	97.6	Very high	98.5	Very high	122 Å²	122	28.2 Å²	28.2	53%	0.53	13%	0.128	S	C	.	.	S	Bend	trans	-63.8	-47.2	176.7	177.4	178.1	179.1	177.6	0	110.5	L95 D388	L95-K391 WeakPolarHBondContact CD2-O 3.34Å; D388-K391 PolarHBondContact OD1-N 3.05Å; D388-K391 WeakPolarHBondContact OD2-CB 3.49Å
392	Y	98.5	Very high	98.5	Very high	34 Å²	34	32.4 Å²	32.4	13%	0.133	15%	0.147	C	C	.	.	S	Bend	trans	-113.3	-20.9	172.8	-62.1	-75	0	0	0	112.2	W54 L95 D388 F394 L395 P397 R399 Y400	W54-Y392 WeakPolarHBondContact CH2-O 3.41Å; W54-Y392 WeakPolarHBondContact CZ3-O 3.35Å; L95-Y392 HydrophobicContact CD2-CD1 3.73Å; L95-Y392 HydrophobicContact CD2-CE1 4.17Å; D388-Y392 PolarHBondContact OD1-N 3.13Å; D388-Y392 WeakPolarHBondContact OD2-CB 3.37Å; D388-Y392 WeakPolarHBondContact OD2-CD2 3.34Å; D388-Y392 PolarHBondContact OD2-N 2.93Å; Y392-F394 PolarHBondContact O-N 2.92Å; Y392-F394 VanDerWaalsContact O-N 3.17Å; Y392-L395 WeakPolarHBondContact O-CA 3.37Å; Y392-L395 PolarHBondContact O-N 2.94Å; Y392-P397 HydrophobicContact CD1-CG 3.67Å; Y392-P397 HydrophobicContact CD2-CG 4.15Å; Y392-P397 HydrophobicContact CE1-CG 3.71Å; Y392-P397 HydrophobicContact CE2-CG 4.16Å; Y392-P397 HydrophobicContact CG-CG 3.92Å; Y392-R399 PolarHBondContact OH-NH2 2.89Å; Y392-Y400 AromaticContact CD2-CE2 3.92Å; Y392-Y400 HydrophobicContact CD2-CE2 3.92Å; Y392-Y400 AromaticContact CE2-CE2 3.6Å; Y392-Y400 HydrophobicContact CE2-CE2 3.6Å
393	G	98.5	Very high	98.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	50.8	-119.9	-179.9	0	0	0	0	0	111.5	D388 L395	D388-G393 PolarHBondContact OD1-N 3.31Å; G393-L395 VanDerWaalsContact C-N 3.29Å; G393-L395 PolarHBondContact O-N 2.83Å
394	F	98.7	Very high	98.4	Very high	9 Å²	9	33.9 Å²	33.9	4%	0.039	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-73.1	-18.6	179.9	-55.5	-58.2	0	0	0	114.1	W54 R183 E184 R236 S311 Y312 Y392 L396	W54-F394 HydrophobicContact CB-CD2 4.27Å; W54-F394 HydrophobicContact CB-CE2 3.68Å; W54-F394 AromaticContact CD1-CD2 3.81Å; W54-F394 AromaticContact CD1-CE2 3.8Å; W54-F394 AromaticContact CD2-CD2 3.44Å; W54-F394 HydrophobicContact CD2-CD2 3.44Å; W54-F394 VanDerWaalsContact CD2-CD2 3.44Å; W54-F394 AromaticContact CD2-CE2 3.81Å; W54-F394 HydrophobicContact CD2-CE2 3.81Å; W54-F394 HydrophobicContact CD2-CG 4.48Å; W54-F394 AromaticContact CE2-CD2 3.55Å; W54-F394 AromaticContact CE3-CD2 3.95Å; W54-F394 HydrophobicContact CE3-CD2 3.95Å; W54-F394 HydrophobicContact CE3-CE2 4.4Å; W54-F394 AromaticContact CG-CD2 3.61Å; W54-F394 HydrophobicContact CG-CD2 3.61Å; W54-F394 AromaticContact CG-CE2 3.48Å; W54-F394 HydrophobicContact CG-CE2 3.48Å; W54-F394 VanDerWaalsContact CG-CE2 3.48Å; W54-F394 HydrophobicContact CH2-CB 4.28Å; W54-F394 HydrophobicContact CZ2-CB 4.23Å; W54-F394 HydrophobicContact CZ2-CD2 4.1Å; W54-F394 HydrophobicContact CZ3-CD2 4.48Å; W54-F394 AromaticContact NE1-CD2 3.76Å; R183-F394 HydrophobicContact CB-CB 4.5Å; R183-F394 HydrophobicContact CB-CG 4.42Å; R183-F394 HydrophobicContact CG-CD1 3.95Å; R183-F394 HydrophobicContact CG-CD2 4.13Å; R183-F394 HydrophobicContact CG-CE1 4.14Å; R183-F394 HydrophobicContact CG-CE2 4.34Å; R183-F394 HydrophobicContact CG-CG 3.96Å; R183-F394 HydrophobicContact CG-CZ 4.38Å; R183-F394 VanDerWaalsContact NE-CE2 3.25Å; E184-F394 HydrophobicContact CG-CD1 3.89Å; E184-F394 HydrophobicContact CG-CE1 3.78Å; R236-F394 PolarHBondContact NH2-O 3.08Å; S311-F394 VanDerWaalsContact O-CE1 3.26Å; S311-F394 WeakPolarHBondContact O-CE1 3.43Å; Y312-F394 AromaticContact CD1-CD1 3.77Å; Y312-F394 HydrophobicContact CD1-CD1 3.77Å; Y312-F394 HydrophobicContact CD1-CD2 4.42Å; Y312-F394 AromaticContact CD1-CE1 3.59Å; Y312-F394 HydrophobicContact CD1-CE1 3.59Å; Y312-F394 HydrophobicContact CD1-CE2 4.24Å; Y312-F394 HydrophobicContact CD1-CG 4.18Å; Y312-F394 AromaticContact CD1-CZ 3.81Å; Y312-F394 HydrophobicContact CD1-CZ 3.81Å; Y312-F394 HydrophobicContact CE1-CD1 4.25Å; Y312-F394 HydrophobicContact CE1-CD2 4.11Å; Y312-F394 AromaticContact CE1-CE1 3.92Å; Y312-F394 HydrophobicContact CE1-CE1 3.92Å; Y312-F394 AromaticContact CE1-CE2 3.75Å; Y312-F394 HydrophobicContact CE1-CE2 3.75Å; Y312-F394 HydrophobicContact CE1-CG 4.33Å; Y312-F394 AromaticContact CE1-CZ 3.63Å; Y312-F394 HydrophobicContact CE1-CZ 3.63Å; Y392-F394 PolarHBondContact O-N 2.92Å; Y392-F394 VanDerWaalsContact O-N 3.17Å; F394-L396 VanDerWaalsContact C-N 3.28Å; F394-L396 PolarHBondContact O-N 3.46Å
395	L	98.6	Very high	98.4	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-95.3	39.2	179.4	-62.7	174.6	0	0	0	111.6	W54 L95 V98 L101 I102 R236 M237 Y392 G393 P397	W54-L395 HydrophobicContact CH2-CB 4.17Å; W54-L395 HydrophobicContact CH2-CD1 3.93Å; W54-L395 HydrophobicContact CH2-CG 3.77Å; W54-L395 HydrophobicContact CZ2-CD1 4.07Å; W54-L395 HydrophobicContact CZ2-CG 4.01Å; L95-L395 HydrophobicContact CD1-CB 4.11Å; L95-L395 HydrophobicContact CD1-CD1 3.77Å; L95-L395 HydrophobicContact CD1-CG 4.46Å; V98-L395 HydrophobicContact CG1-CD1 3.95Å; V98-L395 HydrophobicContact CG2-CD1 4.31Å; L101-L395 HydrophobicContact CB-CD1 4.43Å; L101-L395 HydrophobicContact CD1-CD1 4.5Å; I102-L395 HydrophobicContact CG1-CD2 3.92Å; R236-L395 HydrophobicContact CG-CD2 3.92Å; M237-L395 HydrophobicContact CE-CD1 4.24Å; Y392-L395 WeakPolarHBondContact O-CA 3.37Å; Y392-L395 PolarHBondContact O-N 2.94Å; G393-L395 VanDerWaalsContact C-N 3.29Å; G393-L395 PolarHBondContact O-N 2.83Å; L395-P397 VanDerWaalsContact O-CD 3.23Å; L395-P397 WeakPolarHBondContact O-CD 3.24Å
396	L	98.8	Very high	98.4	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	17%	0.171	C	C	.	.			trans	-59.2	119.8	-177.8	-173.1	71.7	0	0	0	111	Q105 Y123 I186 R387 D388 F394 Y400	Q105-L396 PolarHBondContact NE2-O 2.9Å; Y123-L396 WeakPolarHBondContact CE2-O 3.28Å; Y123-L396 PolarHBondContact OH-O 3.01Å; I186-L396 HydrophobicContact CB-CD2 4.18Å; I186-L396 HydrophobicContact CD1-CD2 4.06Å; I186-L396 HydrophobicContact CG1-CD2 3.83Å; R387-L396 HydrophobicContact CB-CD1 4.41Å; R387-L396 HydrophobicContact CB-CD2 4.07Å; D388-L396 HydrophobicContact CB-CD1 4.1Å; F394-L396 VanDerWaalsContact C-N 3.28Å; F394-L396 PolarHBondContact O-N 3.46Å; L396-Y400 HydrophobicContact CD1-CD2 3.82Å; L396-Y400 HydrophobicContact CD1-CG 4.05Å; L396-Y400 HydrophobicContact CG-CD2 4.29Å; L396-Y400 HydrophobicContact CG-CG 4.45Å
397	P	98.6	Very high	98.4	Very high	16 Å²	16	37.2 Å²	37.2	10%	0.104	17%	0.171	C	C	.	.			trans	-61.7	147.9	-178.8	-28.1	34.9	0	0	0	113.8	Y392 L395 R399 Y400	Y392-P397 HydrophobicContact CD1-CG 3.67Å; Y392-P397 HydrophobicContact CD2-CG 4.15Å; Y392-P397 HydrophobicContact CE1-CG 3.71Å; Y392-P397 HydrophobicContact CE2-CG 4.16Å; Y392-P397 HydrophobicContact CG-CG 3.92Å; L395-P397 VanDerWaalsContact O-CD 3.23Å; L395-P397 WeakPolarHBondContact O-CD 3.24Å; P397-R399 HydrophobicContact CB-CG 4.18Å; P397-R399 PolarHBondContact O-N 3.25Å; P397-R399 VanDerWaalsContact O-N 3.1Å; P397-Y400 HydrophobicContact CB-CD2 3.96Å; P397-Y400 HydrophobicContact CB-CE2 4.18Å; P397-Y400 HydrophobicContact CG-CD2 4.1Å; P397-Y400 HydrophobicContact CG-CE2 4.02Å; P397-Y400 WeakPolarHBondContact O-CB 3.02Å; P397-Y400 PolarHBondContact O-N 3.33Å
398	E	98.5	Very high	98.4	Very high	34 Å²	34	36.4 Å²	36.4	16%	0.159	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-52.7	-36.6	-176.5	-68.3	-170.1	151.3	0	0	114.1	N108 Y123 Y400 I401	N108-E398 PolarHBondContact ND2-OE2 3.41Å; Y123-E398 HydrophobicContact CD2-CG 4.13Å; Y123-E398 HydrophobicContact CE2-CG 4.3Å; E398-Y400 PolarHBondContact O-N 3.5Å; E398-I401 HydrophobicContact CB-CD1 4.17Å; E398-I401 HydrophobicContact CG-CD1 4.17Å; E398-I401 VanDerWaalsContact O-CB 3.31Å; E398-I401 WeakPolarHBondContact O-CB 3.38Å; E398-I401 WeakPolarHBondContact O-CG1 3.41Å; E398-I401 PolarHBondContact O-N 2.99Å
399	R	98.4	Very high	98.4	Very high	153 Å²	153	36.2 Å²	36.2	58%	0.577	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-55.8	-18.5	175.4	67.8	176.3	-179.5	-91.3	-2.5	114.4	Y392 P397 P403	Y392-R399 PolarHBondContact OH-NH2 2.89Å; P397-R399 HydrophobicContact CB-CG 4.18Å; P397-R399 PolarHBondContact O-N 3.25Å; P397-R399 VanDerWaalsContact O-N 3.1Å; R399-P403 WeakPolarHBondContact O-CD 3.43Å
400	Y	98.7	Very high	98.5	Very high	63 Å²	63	32.7 Å²	32.7	25%	0.247	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-94.7	-7.5	175.9	-61.2	-67.8	0	0	0	113.8	Y392 L396 P397 E398 P403 T404	Y392-Y400 AromaticContact CD2-CE2 3.92Å; Y392-Y400 HydrophobicContact CD2-CE2 3.92Å; Y392-Y400 AromaticContact CE2-CE2 3.6Å; Y392-Y400 HydrophobicContact CE2-CE2 3.6Å; L396-Y400 HydrophobicContact CD1-CD2 3.82Å; L396-Y400 HydrophobicContact CD1-CG 4.05Å; L396-Y400 HydrophobicContact CG-CD2 4.29Å; L396-Y400 HydrophobicContact CG-CG 4.45Å; P397-Y400 HydrophobicContact CB-CD2 3.96Å; P397-Y400 HydrophobicContact CB-CE2 4.18Å; P397-Y400 HydrophobicContact CG-CD2 4.1Å; P397-Y400 HydrophobicContact CG-CE2 4.02Å; P397-Y400 WeakPolarHBondContact O-CB 3.02Å; P397-Y400 PolarHBondContact O-N 3.33Å; E398-Y400 PolarHBondContact O-N 3.5Å; Y400-P403 WeakPolarHBondContact O-CD 3.39Å; Y400-P403 WeakPolarHBondContact O-CG 3.42Å; Y400-T404 WeakPolarHBondContact O-CB 3.4Å; Y400-T404 PolarHBondContact O-N 3.49Å; Y400-T404 PolarHBondContact O-OG1 3.22Å
401	I	98.8	Very high	98.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.7	-60.2	178.7	-67.3	170.5	0	0	0	109.5	Y120 E121 Y123 I186 A189 E398 T404 C405	Y120-I401 VanDerWaalsContact O-CG2 3.26Å; Y120-I401 WeakPolarHBondContact O-CG2 3.21Å; E121-I401 WeakPolarHBondContact O-CD1 3.48Å; Y123-I401 HydrophobicContact CD1-CD1 3.95Å; Y123-I401 HydrophobicContact CD2-CD1 4.1Å; Y123-I401 HydrophobicContact CE1-CD1 3.74Å; Y123-I401 HydrophobicContact CE1-CG1 4.01Å; Y123-I401 HydrophobicContact CE2-CD1 3.9Å; Y123-I401 HydrophobicContact CE2-CG1 4.42Å; Y123-I401 HydrophobicContact CG-CD1 4.12Å; I186-I401 HydrophobicContact CD1-CB 4.27Å; I186-I401 HydrophobicContact CD1-CG1 3.93Å; I186-I401 HydrophobicContact CD1-CG2 4.37Å; A189-I401 HydrophobicContact CB-CG2 4.2Å; E398-I401 HydrophobicContact CB-CD1 4.17Å; E398-I401 HydrophobicContact CG-CD1 4.17Å; E398-I401 VanDerWaalsContact O-CB 3.31Å; E398-I401 WeakPolarHBondContact O-CB 3.38Å; E398-I401 WeakPolarHBondContact O-CG1 3.41Å; E398-I401 PolarHBondContact O-N 2.99Å; I401-T404 PolarHBondContact O-N 2.97Å; I401-C405 PolarHBondContact O-N 3.01Å; I401-C405 PolarHBondContact O-SG 2.94Å
402	K	98.6	Very high	98.6	Very high	88 Å²	88	26.8 Å²	26.8	38%	0.383	12%	0.12	S	C	.	.	H	α-helix	trans	-50.3	-54.9	179.4	-172.5	-162.7	-156.8	123.2	0	114.2	E121 T404 C405 K406	E121-K402 HydrophobicContact CG-CB 4.08Å; E121-K402 WeakPolarHBondContact OE1-CD 3.44Å; E121-K402 VanDerWaalsContact OE1-CE 3.3Å; E121-K402 WeakPolarHBondContact OE1-CE 3.43Å; E121-K402 WeakPolarHBondContact OE1-CG 3.29Å; E121-K402 IonicContact OE1-NZ 2.8Å; E121-K402 PolarHBondContact OE1-NZ 2.9Å; K402-T404 VanDerWaalsContact C-N 3.31Å; K402-T404 PolarHBondContact O-N 3.27Å; K402-C405 PolarHBondContact O-N 3.44Å; K402-K406 WeakPolarHBondContact O-CB 3.43Å; K402-K406 WeakPolarHBondContact O-CG 3.23Å; K402-K406 PolarHBondContact O-N 3.48Å
403	P	98.5	Very high	98.6	Very high	36 Å²	36	26.1 Å²	26.1	23%	0.234	12%	0.12	C	C	.	.	H	α-helix	trans	-66.8	-32	-179.9	27	-35.7	0	0	0	112.6	R399 Y400 D407	R399-P403 WeakPolarHBondContact O-CD 3.43Å; Y400-P403 WeakPolarHBondContact O-CD 3.39Å; Y400-P403 WeakPolarHBondContact O-CG 3.42Å; P403-D407 PolarHBondContact O-N 3.44Å; P403-D407 VanDerWaalsContact O-N 3.08Å
404	T	98.8	Very high	98.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-68.6	-44.1	175.8	-56.8	0	0	0	0	111.5	I186 L386 R387 Y400 I401 K402 K406 D407 A408	I186-T404 HydrophobicContact CD1-CG2 4.04Å; I186-T404 HydrophobicContact CG1-CG2 3.68Å; L386-T404 HydrophobicContact CB-CG2 4.01Å; L386-T404 HydrophobicContact CD1-CG2 4.42Å; L386-T404 HydrophobicContact CD2-CG2 4.12Å; L386-T404 HydrophobicContact CG-CG2 4.43Å; R387-T404 HydrophobicContact CB-CG2 4.11Å; R387-T404 VanDerWaalsContact CD-OG1 3.3Å; R387-T404 WeakPolarHBondContact CD-OG1 3.48Å; R387-T404 HydrophobicContact CG-CG2 3.94Å; R387-T404 WeakPolarHBondContact CG-OG1 3.3Å; Y400-T404 WeakPolarHBondContact O-CB 3.4Å; Y400-T404 PolarHBondContact O-N 3.49Å; Y400-T404 PolarHBondContact O-OG1 3.22Å; I401-T404 PolarHBondContact O-N 2.97Å; K402-T404 VanDerWaalsContact C-N 3.31Å; K402-T404 PolarHBondContact O-N 3.27Å; T404-K406 PolarHBondContact O-N 3.29Å; T404-D407 WeakPolarHBondContact O-CB 3.25Å; T404-D407 PolarHBondContact O-N 3.42Å; T404-A408 WeakPolarHBondContact O-CB 3.47Å; T404-A408 PolarHBondContact O-N 3.25Å
405	C	98.8	Very high	98.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.3	-38.6	177.5	-62	0	0	0	0	111.8	F190 W193 I401 K402 A408 F409	F190-C405 HydrophobicContact CD2-CB 4.39Å; W193-C405 HydrophobicContact CB-CB 3.82Å; W193-C405 HydrophobicContact CD2-CB 3.52Å; W193-C405 HydrophobicContact CE3-CB 3.99Å; W193-C405 HydrophobicContact CG-CB 3.41Å; W193-C405 VanDerWaalsContact CG-CB 3.41Å; I401-C405 PolarHBondContact O-N 3.01Å; I401-C405 PolarHBondContact O-SG 2.94Å; K402-C405 PolarHBondContact O-N 3.44Å; C405-A408 PolarHBondContact O-N 2.97Å; C405-F409 VanDerWaalsContact O-CB 3.25Å; C405-F409 WeakPolarHBondContact O-CB 3.48Å; C405-F409 PolarHBondContact O-N 3.15Å
406	K	98.5	Very high	98.6	Very high	94 Å²	94	30.4 Å²	30.4	41%	0.409	14%	0.139	S	C	.	.	H	α-helix	trans	-61.9	-43.5	173	-79	-171.6	166.5	-165.9	0	112.8	W193 T347 K402 T404 A410	W193-K406 HydrophobicContact CH2-CG 3.99Å; W193-K406 HydrophobicContact CZ2-CG 3.89Å; T347-K406 HydrophobicContact CG2-CB 4.02Å; K402-K406 WeakPolarHBondContact O-CB 3.43Å; K402-K406 WeakPolarHBondContact O-CG 3.23Å; K402-K406 PolarHBondContact O-N 3.48Å; T404-K406 PolarHBondContact O-N 3.29Å; K406-A410 PolarHBondContact O-N 3.4Å; K406-A410 VanDerWaalsContact O-N 3.12Å
407	D	98.5	Very high	98.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.6	-50.6	176.1	-71.5	-10.4	0	0	0	110.8	I344 T347 S348 R387 P403 T404 F409 A410 A411	I344-D407 HydrophobicContact CB-CB 4.43Å; I344-D407 HydrophobicContact CG1-CB 4.2Å; I344-D407 WeakPolarHBondContact CG1-O 3.49Å; I344-D407 HydrophobicContact CG2-CB 3.79Å; T347-D407 WeakPolarHBondContact CG2-OD1 3.33Å; S348-D407 WeakPolarHBondContact CB-OD1 3.44Å; S348-D407 VanDerWaalsContact OG-CG 3.28Å; S348-D407 PolarHBondContact OG-OD1 3.25Å; S348-D407 PolarHBondContact OG-OD2 3.31Å; R387-D407 IonicContact CZ-OD2 2.67Å; R387-D407 IonicContact NE-OD2 3.77Å; R387-D407 PolarHBondContact NE-OD2 3.02Å; R387-D407 IonicContact NH2-OD2 2.79Å; R387-D407 PolarHBondContact NH2-OD2 3.42Å; P403-D407 PolarHBondContact O-N 3.44Å; P403-D407 VanDerWaalsContact O-N 3.08Å; T404-D407 WeakPolarHBondContact O-CB 3.25Å; T404-D407 PolarHBondContact O-N 3.42Å; D407-F409 PolarHBondContact O-N 3.01Å; D407-A410 WeakPolarHBondContact O-CB 3.45Å; D407-A410 PolarHBondContact O-N 2.98Å; D407-A411 PolarHBondContact O-N 2.91Å
408	A	98.8	Very high	98.6	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-41.8	179.6	0	0	0	0	0	112.1	F190 M309 L386 T404 C405 A410 A411 V412	F190-A408 HydrophobicContact CD2-CB 3.47Å; F190-A408 VanDerWaalsContact CD2-CB 3.47Å; F190-A408 HydrophobicContact CE2-CB 3.47Å; F190-A408 VanDerWaalsContact CE2-CB 3.47Å; F190-A408 HydrophobicContact CG-CB 4.17Å; F190-A408 HydrophobicContact CZ-CB 4.18Å; M309-A408 HydrophobicContact CE-CB 4.07Å; L386-A408 HydrophobicContact CD2-CB 3.68Å; T404-A408 WeakPolarHBondContact O-CB 3.47Å; T404-A408 PolarHBondContact O-N 3.25Å; C405-A408 PolarHBondContact O-N 2.97Å; A408-A410 VanDerWaalsContact C-N 3.31Å; A408-A410 PolarHBondContact O-N 3.41Å; A408-A411 WeakPolarHBondContact O-CB 3.29Å; A408-A411 PolarHBondContact O-N 3.41Å; A408-V412 WeakPolarHBondContact O-CG2 3.48Å; A408-V412 PolarHBondContact O-N 2.99Å
409	F	98.7	Very high	98.6	Very high	12 Å²	12	32 Å²	32	5%	0.053	14%	0.142	C	C	.	.	H	α-helix	trans	-61.1	-40.5	176	-169.9	-81.2	0	0	0	111.7	F190 W193 F194 I198 Y208 C405 D407 S413	F190-F409 HydrophobicContact CE2-CB 4.48Å; W193-F409 HydrophobicContact CE3-CD2 4.28Å; W193-F409 HydrophobicContact CZ3-CB 3.89Å; W193-F409 AromaticContact CZ3-CD2 3.74Å; W193-F409 HydrophobicContact CZ3-CD2 3.74Å; W193-F409 AromaticContact CZ3-CG 3.91Å; W193-F409 HydrophobicContact CZ3-CG 3.91Å; F194-F409 AromaticContact CD2-CD2 3.55Å; F194-F409 HydrophobicContact CD2-CD2 3.55Å; F194-F409 AromaticContact CD2-CE2 3.65Å; F194-F409 HydrophobicContact CD2-CE2 3.65Å; F194-F409 HydrophobicContact CE2-CD2 4.06Å; F194-F409 AromaticContact CE2-CE2 3.79Å; F194-F409 HydrophobicContact CE2-CE2 3.79Å; F194-F409 HydrophobicContact CG-CD2 4.46Å; F194-F409 HydrophobicContact CG-CE2 4.49Å; I198-F409 HydrophobicContact CB-CE2 4.3Å; I198-F409 HydrophobicContact CD1-CZ 4.41Å; I198-F409 HydrophobicContact CG1-CZ 4.42Å; Y208-F409 AromaticContact CD1-CE1 3.99Å; Y208-F409 HydrophobicContact CD1-CE1 3.99Å; Y208-F409 AromaticContact CD1-CZ 3.89Å; Y208-F409 HydrophobicContact CD1-CZ 3.89Å; Y208-F409 HydrophobicContact CE1-CD1 4.48Å; Y208-F409 AromaticContact CE1-CE1 3.38Å; Y208-F409 HydrophobicContact CE1-CE1 3.38Å; Y208-F409 AromaticContact CE1-CZ 3.61Å; Y208-F409 HydrophobicContact CE1-CZ 3.61Å; Y208-F409 HydrophobicContact CE2-CZ 4.45Å; Y208-F409 HydrophobicContact CG-CZ 4.5Å; Y208-F409 AromaticContact CZ-CE1 3.85Å; Y208-F409 AromaticContact CZ-CZ 3.91Å; C405-F409 VanDerWaalsContact O-CB 3.25Å; C405-F409 WeakPolarHBondContact O-CB 3.48Å; C405-F409 PolarHBondContact O-N 3.15Å; D407-F409 PolarHBondContact O-N 3.01Å; F409-S413 WeakPolarHBondContact CD1-OG 3.49Å; F409-S413 VanDerWaalsContact CE1-OG 3.28Å; F409-S413 WeakPolarHBondContact CE1-OG 3.37Å; F409-S413 VanDerWaalsContact O-CB 3.25Å; F409-S413 WeakPolarHBondContact O-CB 3.25Å; F409-S413 PolarHBondContact O-N 3.3Å; F409-S413 PolarHBondContact O-OG 3.21Å
410	A	98.6	Very high	98.6	Very high	18 Å²	18	26.5 Å²	26.5	15%	0.149	12%	0.123	C	C	.	.	H	α-helix	trans	-65	-40.1	176	0	0	0	0	0	112.1	A343 T347 K406 D407 A408 K414	A343-A410 HydrophobicContact CB-CB 4.2Å; T347-A410 WeakPolarHBondContact OG1-CB 3.42Å; K406-A410 PolarHBondContact O-N 3.4Å; K406-A410 VanDerWaalsContact O-N 3.12Å; D407-A410 WeakPolarHBondContact O-CB 3.45Å; D407-A410 PolarHBondContact O-N 2.98Å; A408-A410 VanDerWaalsContact C-N 3.31Å; A408-A410 PolarHBondContact O-N 3.41Å; A410-K414 PolarHBondContact O-N 2.86Å; A410-K414 VanDerWaalsContact O-N 3.07Å
411	A	98.8	Very high	98.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.7	-51.6	174.2	0	0	0	0	0	111.9	I316 A340 I344 I384 D407 A408 S413 K414 I415	I316-A411 HydrophobicContact CD1-CB 4.48Å; A340-A411 HydrophobicContact CB-CB 4.07Å; I344-A411 HydrophobicContact CD1-CB 3.89Å; I344-A411 HydrophobicContact CG1-CB 3.92Å; I384-A411 HydrophobicContact CD1-CB 4.4Å; D407-A411 PolarHBondContact O-N 2.91Å; A408-A411 WeakPolarHBondContact O-CB 3.29Å; A408-A411 PolarHBondContact O-N 3.41Å; A411-S413 VanDerWaalsContact C-N 3.3Å; A411-S413 PolarHBondContact O-N 2.94Å; A411-K414 PolarHBondContact O-N 3.36Å; A411-I415 WeakPolarHBondContact O-CG1 3.47Å; A411-I415 PolarHBondContact O-N 3.12Å
412	V	98.8	Very high	98.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.8	-43.7	177.5	168.8	0	0	0	0	110.9	I176 F190 F194 F217 I307 I384 A408 K414 I415 A416	I176-V412 HydrophobicContact CD1-CG1 3.75Å; F190-V412 HydrophobicContact CE1-CG2 4.44Å; F190-V412 HydrophobicContact CZ-CG2 3.85Å; F194-V412 HydrophobicContact CE2-CG1 3.93Å; F217-V412 HydrophobicContact CE1-CG1 4.38Å; I307-V412 HydrophobicContact CD1-CG1 4.19Å; I307-V412 HydrophobicContact CD1-CG2 4.12Å; I307-V412 HydrophobicContact CG2-CG2 4.5Å; I384-V412 HydrophobicContact CD1-CG2 4.34Å; A408-V412 WeakPolarHBondContact O-CG2 3.48Å; A408-V412 PolarHBondContact O-N 2.99Å; V412-K414 VanDerWaalsContact C-N 3.31Å; V412-K414 PolarHBondContact O-N 2.72Å; V412-I415 PolarHBondContact O-N 2.95Å; V412-A416 VanDerWaalsContact O-CB 3.28Å; V412-A416 WeakPolarHBondContact O-CB 3.38Å; V412-A416 PolarHBondContact O-N 2.96Å
413	S	98.4	Very high	98.3	Very high	21 Å²	21	35.1 Å²	35.1	15%	0.147	17%	0.171	C	C	.	.	H	α-helix	trans	-61	-39.2	176.3	-64	0	0	0	0	112.2	F409 A411 A416 W417	F409-S413 WeakPolarHBondContact CD1-OG 3.49Å; F409-S413 VanDerWaalsContact CE1-OG 3.28Å; F409-S413 WeakPolarHBondContact CE1-OG 3.37Å; F409-S413 VanDerWaalsContact O-CB 3.25Å; F409-S413 WeakPolarHBondContact O-CB 3.25Å; F409-S413 PolarHBondContact O-N 3.3Å; F409-S413 PolarHBondContact O-OG 3.21Å; A411-S413 VanDerWaalsContact C-N 3.3Å; A411-S413 PolarHBondContact O-N 2.94Å; S413-A416 PolarHBondContact O-N 3.38Å; S413-W417 WeakPolarHBondContact O-CB 3.43Å; S413-W417 PolarHBondContact O-N 3.27Å
414	K	98.6	Very high	98.3	Very high	100 Å²	100	35.1 Å²	35.1	44%	0.435	17%	0.167	S	C	.	.	H	α-helix	trans	-68	-44.6	176.6	-79	-56.1	-178.6	-173	0	113	A343 A410 A411 V412 A416 W417 H418	A343-K414 HydrophobicContact CB-CB 4.33Å; A343-K414 HydrophobicContact CB-CG 3.48Å; A343-K414 VanDerWaalsContact CB-CG 3.48Å; A410-K414 PolarHBondContact O-N 2.86Å; A410-K414 VanDerWaalsContact O-N 3.07Å; A411-K414 PolarHBondContact O-N 3.36Å; V412-K414 VanDerWaalsContact C-N 3.31Å; V412-K414 PolarHBondContact O-N 2.72Å; K414-A416 VanDerWaalsContact C-N 3.3Å; K414-A416 PolarHBondContact O-N 2.95Å; K414-W417 PolarHBondContact O-N 2.86Å; K414-H418 PolarHBondContact O-N 3.28Å
415	I	98.8	Very high	98.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-57.5	-49.1	173.7	-65.2	165.8	0	0	0	109.1	I307 V336 A340 F382 I384 A411 V412 W417 H418 V419	I307-I415 HydrophobicContact CD1-CB 4.33Å; I307-I415 HydrophobicContact CD1-CD1 4.14Å; I307-I415 HydrophobicContact CD1-CG2 4Å; V336-I415 HydrophobicContact CG1-CB 4.37Å; V336-I415 HydrophobicContact CG1-CG1 3.92Å; V336-I415 HydrophobicContact CG1-CG2 4.42Å; A340-I415 HydrophobicContact CB-CD1 4.38Å; A340-I415 HydrophobicContact CB-CG1 4.16Å; F382-I415 HydrophobicContact CD2-CD1 4.13Å; F382-I415 HydrophobicContact CD2-CG1 4.48Å; F382-I415 HydrophobicContact CD2-CG2 3.88Å; F382-I415 HydrophobicContact CE2-CG1 4.49Å; F382-I415 HydrophobicContact CE2-CG2 3.79Å; F382-I415 HydrophobicContact CG-CD1 4.23Å; I384-I415 HydrophobicContact CD1-CD1 4.19Å; A411-I415 WeakPolarHBondContact O-CG1 3.47Å; A411-I415 PolarHBondContact O-N 3.12Å; V412-I415 PolarHBondContact O-N 2.95Å; I415-W417 PolarHBondContact O-N 3.08Å; I415-H418 WeakPolarHBondContact O-CB 3.31Å; I415-H418 PolarHBondContact O-N 3.27Å; I415-H418 VanDerWaalsContact O-N 3.08Å; I415-V419 HydrophobicContact CG2-CG2 4.29Å; I415-V419 VanDerWaalsContact O-CG2 3.25Å; I415-V419 WeakPolarHBondContact O-CG2 3.45Å; I415-V419 PolarHBondContact O-N 3.07Å
416	A	98.6	Very high	98.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.2	-45.9	-177.5	0	0	0	0	0	112.8	M174 L211 F217 V412 S413 K414 H418 V419 I420	M174-A416 HydrophobicContact CE-CB 3.75Å; M174-A416 WeakPolarHBondContact CE-O 3.34Å; M174-A416 VanDerWaalsContact SD-CA 3.54Å; M174-A416 HydrophobicContact SD-CB 3.43Å; M174-A416 WeakPolarHBondContact SD-CB 3.41Å; L211-A416 HydrophobicContact CD1-CB 3.79Å; F217-A416 HydrophobicContact CE1-CB 4.48Å; F217-A416 HydrophobicContact CZ-CB 4.11Å; V412-A416 VanDerWaalsContact O-CB 3.28Å; V412-A416 WeakPolarHBondContact O-CB 3.38Å; V412-A416 PolarHBondContact O-N 2.96Å; S413-A416 PolarHBondContact O-N 3.38Å; K414-A416 VanDerWaalsContact C-N 3.3Å; K414-A416 PolarHBondContact O-N 2.95Å; A416-H418 VanDerWaalsContact C-N 3.27Å; A416-H418 PolarHBondContact O-N 3.22Å; A416-V419 PolarHBondContact O-N 3.02Å; A416-I420 VanDerWaalsContact O-CG1 3.31Å; A416-I420 WeakPolarHBondContact O-CG1 3.42Å; A416-I420 PolarHBondContact O-N 2.88Å
417	W	98.6	Very high	98.2	Very high	73 Å²	73	35.8 Å²	35.8	28%	0.277	17%	0.173	S	C	.	.	H	α-helix	trans	-64.6	-31.4	175.7	-82.3	115.9	0	0	0	113.1	N210 L211 S413 K414 I415 I420 R421	N210-W417 HydrophobicContact CB-CH2 4.01Å; N210-W417 HydrophobicContact CB-CZ2 3.98Å; L211-W417 HydrophobicContact CB-CZ2 4.43Å; L211-W417 HydrophobicContact CD1-CD2 4.49Å; L211-W417 HydrophobicContact CD1-CZ2 4.5Å; S413-W417 WeakPolarHBondContact O-CB 3.43Å; S413-W417 PolarHBondContact O-N 3.27Å; K414-W417 PolarHBondContact O-N 2.86Å; I415-W417 PolarHBondContact O-N 3.08Å; W417-I420 HydrophobicContact CD2-CD1 4.41Å; W417-I420 HydrophobicContact CE3-CB 4.41Å; W417-I420 HydrophobicContact CE3-CD1 3.98Å; W417-I420 HydrophobicContact CE3-CG2 4.31Å; W417-I420 HydrophobicContact CZ3-CD1 4.19Å; W417-I420 HydrophobicContact CZ3-CG2 4.25Å; W417-R421 WeakPolarHBondContact O-CG 3.41Å; W417-R421 VanDerWaalsContact O-CZ 3.27Å; W417-R421 PolarHBondContact O-N 3.08Å; W417-R421 PolarHBondContact O-NH1 3.23Å
418	H	98.7	Very high	98.2	Very high	13 Å²	13	38 Å²	38	6%	0.06	18%	0.184	C	C	.	.	H	α-helix	trans	-66.4	-46.7	171.9	-171.5	91.7	0	0	0	111.4	E332 V336 Y380 K414 I415 A416 I420 R421 N422	E332-H418 IonicContact OE1-CD2 3.51Å; E332-H418 IonicContact OE1-CE1 2.74Å; E332-H418 IonicContact OE1-NE2 3.81Å; E332-H418 PolarHBondContact OE1-NE2 2.84Å; V336-H418 HydrophobicContact CG1-CB 4.39Å; V336-H418 HydrophobicContact CG2-CB 4.2Å; V336-H418 WeakPolarHBondContact CG2-CD2 3.39Å; V336-H418 VanDerWaalsContact CG2-CG 3.46Å; V336-H418 WeakPolarHBondContact CG2-NE2 3.29Å; Y380-H418 AromaticContact CE1-CD2 3.48Å; Y380-H418 VanDerWaalsContact CE1-CD2 3.48Å; Y380-H418 WeakPolarHBondContact CE1-CD2 3.32Å; Y380-H418 AromaticContact CE1-NE2 3.77Å; Y380-H418 AromaticContact CZ-CD2 3.79Å; K414-H418 PolarHBondContact O-N 3.28Å; I415-H418 WeakPolarHBondContact O-CB 3.31Å; I415-H418 PolarHBondContact O-N 3.27Å; I415-H418 VanDerWaalsContact O-N 3.08Å; A416-H418 VanDerWaalsContact C-N 3.27Å; A416-H418 PolarHBondContact O-N 3.22Å; H418-I420 PolarHBondContact O-N 2.84Å; H418-R421 PolarHBondContact O-N 2.9Å; H418-N422 PolarHBondContact CD2-ND2 3.05Å; H418-N422 PolarHBondContact NE2-ND2 3.39Å; H418-N422 PolarHBondContact O-N 3.01Å; H418-N422 PolarHBondContact O-ND2 3.04Å
419	V	98.5	Very high	98.1	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-56.8	-51.4	177	177.7	0	0	0	0	109.9	M174 K304 A305 Y380 I415 A416 R421 N422 V423	M174-V419 HydrophobicContact CE-CB 3.61Å; M174-V419 HydrophobicContact CE-CG1 3.69Å; M174-V419 HydrophobicContact CE-CG2 4.26Å; K304-V419 HydrophobicContact CB-CG1 3.66Å; A305-V419 HydrophobicContact CB-CG1 4.47Å; A305-V419 HydrophobicContact CB-CG2 3.76Å; Y380-V419 HydrophobicContact CD1-CG2 4.36Å; Y380-V419 HydrophobicContact CD2-CB 4.19Å; Y380-V419 HydrophobicContact CD2-CG1 4.04Å; Y380-V419 HydrophobicContact CD2-CG2 3.61Å; Y380-V419 HydrophobicContact CE2-CB 4.48Å; Y380-V419 HydrophobicContact CE2-CG1 4.41Å; Y380-V419 HydrophobicContact CE2-CG2 4.26Å; Y380-V419 HydrophobicContact CG-CG2 3.67Å; I415-V419 HydrophobicContact CG2-CG2 4.29Å; I415-V419 VanDerWaalsContact O-CG2 3.25Å; I415-V419 WeakPolarHBondContact O-CG2 3.45Å; I415-V419 PolarHBondContact O-N 3.07Å; A416-V419 PolarHBondContact O-N 3.02Å; V419-R421 PolarHBondContact O-N 2.79Å; V419-R421 VanDerWaalsContact O-N 3.1Å; V419-N422 PolarHBondContact O-N 3.13Å; V419-V423 HydrophobicContact CG1-CG1 3.85Å; V419-V423 HydrophobicContact CG1-CG2 4.06Å; V419-V423 WeakPolarHBondContact O-CG1 3.43Å; V419-V423 VanDerWaalsContact O-CG2 3.25Å; V419-V423 WeakPolarHBondContact O-CG2 3.49Å; V419-V423 PolarHBondContact O-N 3.41Å
420	I	98.2	Very high	98.1	Very high	36 Å²	36	42.5 Å²	42.5	19%	0.185	21%	0.206	C	C	.	.	H	α-helix	trans	-54.3	-34.2	-179.7	-70	161.9	0	0	0	112.9	M174 L211 H214 V215 A416 W417 H418 N422	M174-I420 HydrophobicContact CE-CG1 4.11Å; L211-I420 HydrophobicContact CD1-CD1 3.79Å; H214-I420 HydrophobicContact CB-CD1 3.92Å; H214-I420 HydrophobicContact CB-CG1 4.14Å; H214-I420 HydrophobicContact CB-CG2 4.06Å; V215-I420 HydrophobicContact CG1-CD1 4.09Å; A416-I420 VanDerWaalsContact O-CG1 3.31Å; A416-I420 WeakPolarHBondContact O-CG1 3.42Å; A416-I420 PolarHBondContact O-N 2.88Å; W417-I420 HydrophobicContact CD2-CD1 4.41Å; W417-I420 HydrophobicContact CE3-CB 4.41Å; W417-I420 HydrophobicContact CE3-CD1 3.98Å; W417-I420 HydrophobicContact CE3-CG2 4.31Å; W417-I420 HydrophobicContact CZ3-CD1 4.19Å; W417-I420 HydrophobicContact CZ3-CG2 4.25Å; H418-I420 PolarHBondContact O-N 2.84Å; I420-N422 VanDerWaalsContact C-N 3.32Å
421	R	98.3	Very high	98.1	Very high	146 Å²	146	44.4 Å²	44.4	55%	0.551	21%	0.21	S	C	*	.	H	α-helix	trans	-77.9	-15.2	179.8	-71.9	-172.9	-57.9	-89.5	2.5	114.1	W417 H418 V419	W417-R421 WeakPolarHBondContact O-CG 3.41Å; W417-R421 VanDerWaalsContact O-CZ 3.27Å; W417-R421 PolarHBondContact O-N 3.08Å; W417-R421 PolarHBondContact O-NH1 3.23Å; H418-R421 PolarHBondContact O-N 2.9Å; V419-R421 PolarHBondContact O-N 2.79Å; V419-R421 VanDerWaalsContact O-N 3.1Å
422	N	98	Very high	98	Very high	89 Å²	89	48.1 Å²	48.1	48%	0.476	23%	0.227	S	C	.	.	H	α-helix	trans	-127.2	10.8	-167.3	-66.6	-79.1	0	0	0	113.5	Y380 H418 V419 I420	Y380-N422 WeakPolarHBondContact OH-CB 3.33Å; H418-N422 PolarHBondContact CD2-ND2 3.05Å; H418-N422 PolarHBondContact NE2-ND2 3.39Å; H418-N422 PolarHBondContact O-N 3.01Å; H418-N422 PolarHBondContact O-ND2 3.04Å; V419-N422 PolarHBondContact O-N 3.13Å; I420-N422 VanDerWaalsContact C-N 3.32Å
423	V	92.7	Very high	97.9	Very high	98 Å²	98	52.5 Å²	52.5	59%	0.594	25%	0.248	S	C	*	.			trans	-128.4	0	179.4	-57.7	0	0	0	0	114	K304 Y380 V419	K304-V423 HydrophobicContact CB-CG1 4.14Å; K304-V423 HydrophobicContact CB-CG2 4.38Å; K304-V423 HydrophobicContact CD-CB 4.26Å; K304-V423 HydrophobicContact CD-CG1 4.34Å; K304-V423 HydrophobicContact CG-CB 4.21Å; K304-V423 HydrophobicContact CG-CG1 4.31Å; K304-V423 HydrophobicContact CG-CG2 4.09Å; Y380-V423 HydrophobicContact CD2-CG1 4.48Å; Y380-V423 HydrophobicContact CE2-CG1 3.97Å; V419-V423 HydrophobicContact CG1-CG1 3.85Å; V419-V423 HydrophobicContact CG1-CG2 4.06Å; V419-V423 WeakPolarHBondContact O-CG1 3.43Å; V419-V423 VanDerWaalsContact O-CG2 3.25Å; V419-V423 WeakPolarHBondContact O-CG2 3.49Å; V419-V423 PolarHBondContact O-N 3.41Å

Retrieved 423 of 423 residues in 204.8 ms (Link to these results)

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