A0A096LWI5_POEFO Loading...

C-type lectin domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LWI5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 164 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	S	44.5	Very low	46.2	Very low	181 Å²	181	174 Å²	174	100%	1.266	86%	0.864	S	S	*	*				0	101.1	0	-174.5	0	0	0	0	108.6
2	S	38.8	Very low	46.7	Very low	125 Å²	125	165.3 Å²	165.3	87%	0.874	85%	0.851	S	S	*	*			trans	-169.6	130	151.6	-166.3	0	0	0	0	108.3
3	K	38.7	Very low	47.4	Very low	192 Å²	192	164.9 Å²	164.9	84%	0.835	85%	0.85	S	S	*	*			trans	-93.8	136.6	-172.8	-77.1	172.6	174.7	175.6	0	110.2
4	M	43.3	Very low	48.3	Very low	158 Å²	158	160 Å²	160	78%	0.778	85%	0.846	S	S	*	*				59.6	121.6	122.8	-158.2	89.3	80.8	0	0	119.9
5	M	43.4	Very low	48.9	Very low	163 Å²	163	159.6 Å²	159.6	80%	0.803	84%	0.844	S	S	*	*				-160.8	98.1	128.6	-114.4	158.8	57.7	0	0	109.6
6	W	44.1	Very low	49.6	Very low	235 Å²	235	154.9 Å²	154.9	89%	0.89	84%	0.835	S	S	*	*			trans	-88.9	126.7	165.1	-83.5	58.2	0	0	0	108	L8	W6-L8 PolarHBondContact O-N 3.4Å
7	F	48	Very low	50.2	Low	179 Å²	179	151.2 Å²	151.2	79%	0.785	83%	0.83	S	S	*	*			trans	-70.1	117.8	172.2	-81.2	-90	0	0	0	109.5	F9	F7-F9 PolarHBondContact O-N 3.08Å
8	L	48.9	Very low	50.5	Low	163 Å²	163	152.4 Å²	152.4	85%	0.853	83%	0.829	S	S	*	*			trans	-77	105.1	168.2	-73.2	164.4	0	0	0	108.7	W6 L10	W6-L8 PolarHBondContact O-N 3.4Å; L8-L10 PolarHBondContact O-N 2.75Å
9	F	54	Low	50.9	Low	173 Å²	173	150.3 Å²	150.3	76%	0.759	82%	0.823	S	S	*	*			trans	-81.5	97.8	161.1	-90.2	-84	0	0	0	108.6	F7 F11	F7-F9 PolarHBondContact O-N 3.08Å; F9-F11 VanDerWaalsContact C-N 3.33Å; F9-F11 HydrophobicContact CB-CD2 4.34Å; F9-F11 HydrophobicContact CD1-CD2 4.09Å; F9-F11 AromaticContact CD1-CE2 3.8Å; F9-F11 HydrophobicContact CD1-CE2 3.8Å; F9-F11 HydrophobicContact CE1-CE2 4.35Å; F9-F11 PolarHBondContact O-N 2.96Å; F9-F11 VanDerWaalsContact O-N 3.15Å
10	L	50.3	Low	50.9	Low	168 Å²	168	148.9 Å²	148.9	88%	0.88	82%	0.822	S	S	*	*			trans	-77.2	86.6	162.6	-78.3	163.8	0	0	0	108.2	L8 G12	L8-L10 PolarHBondContact O-N 2.75Å; L10-G12 PolarHBondContact O-N 3.47Å
11	F	53.9	Low	50.9	Low	177 Å²	177	147.2 Å²	147.2	78%	0.776	82%	0.821	S	S	*	*			trans	-79.5	102.1	161.1	-98	-88.5	0	0	0	107.8	F9 L13	F9-F11 VanDerWaalsContact C-N 3.33Å; F9-F11 HydrophobicContact CB-CD2 4.34Å; F9-F11 HydrophobicContact CD1-CD2 4.09Å; F9-F11 AromaticContact CD1-CE2 3.8Å; F9-F11 HydrophobicContact CD1-CE2 3.8Å; F9-F11 HydrophobicContact CE1-CE2 4.35Å; F9-F11 PolarHBondContact O-N 2.96Å; F9-F11 VanDerWaalsContact O-N 3.15Å; F11-L13 PolarHBondContact O-N 3.49Å
12	G	52	Low	51.3	Low	69 Å²	69	145.7 Å²	145.7	71%	0.711	80%	0.798	S	S	*	*			trans	-59.8	120.1	170.3	0	0	0	0	0	109.9	L10 A14	L10-G12 PolarHBondContact O-N 3.47Å; G12-A14 VanDerWaalsContact C-N 3.33Å; G12-A14 PolarHBondContact O-N 3.41Å
13	L	57	Low	51.9	Low	161 Å²	161	142.2 Å²	142.2	84%	0.843	78%	0.782	S	S	*	*			trans	-68.4	92.6	166.5	-79.7	159.9	0	0	0	108.1	F11 L15	F11-L13 PolarHBondContact O-N 3.49Å; L13-L15 HydrophobicContact CB-CD1 4.45Å; L13-L15 PolarHBondContact O-N 3.09Å; L13-L15 VanDerWaalsContact O-N 3.14Å
14	A	59.3	Low	52.3	Low	96 Å²	96	142 Å²	142	79%	0.793	78%	0.784	S	S	*	*			trans	-71.9	98	158.6	0	0	0	0	0	107.2	G12 A16	G12-A14 VanDerWaalsContact C-N 3.33Å; G12-A14 PolarHBondContact O-N 3.41Å; A14-A16 PolarHBondContact O-N 3.4Å
15	L	57.3	Low	52.9	Low	154 Å²	154	142.8 Å²	142.8	81%	0.806	79%	0.786	S	S	*	*			trans	-67.9	86.5	158.6	-93.6	88.1	0	0	0	107.1	L13 A17	L13-L15 HydrophobicContact CB-CD1 4.45Å; L13-L15 PolarHBondContact O-N 3.09Å; L13-L15 VanDerWaalsContact O-N 3.14Å; L15-A17 VanDerWaalsContact C-N 3.29Å; L15-A17 PolarHBondContact O-N 3.27Å; L15-A17 VanDerWaalsContact O-N 3.1Å
16	A	60.5	Low	53.8	Low	85 Å²	85	138.4 Å²	138.4	70%	0.702	77%	0.765	S	S	*	*			trans	-69.3	98.7	153.8	0	0	0	0	0	106.1	A14 E18	A14-A16 PolarHBondContact O-N 3.4Å; A16-E18 VanDerWaalsContact C-N 3.3Å; A16-E18 PolarHBondContact O-N 2.94Å
17	A	59	Low	55.3	Low	91 Å²	91	134.8 Å²	134.8	75%	0.752	76%	0.756	S	S	*	*			trans	-68.9	97.7	162	0	0	0	0	0	106.4	L15 P19	L15-A17 VanDerWaalsContact C-N 3.29Å; L15-A17 PolarHBondContact O-N 3.27Å; L15-A17 VanDerWaalsContact O-N 3.1Å; A17-P19 WeakPolarHBondContact O-CD 3.18Å
18	E	56.8	Low	57	Low	174 Å²	174	127.8 Å²	127.8	81%	0.813	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-62.3	121.9	164.6	-69.2	-176.6	174	0	0	107.1	A16	A16-E18 VanDerWaalsContact C-N 3.3Å; A16-E18 PolarHBondContact O-N 2.94Å
19	P	58.1	Low	58.6	Low	111 Å²	111	125 Å²	125	72%	0.721	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-58.9	136.4	170.5	25	-30.9	0	0	0	107.4	A17 S21	A17-P19 WeakPolarHBondContact O-CD 3.18Å; P19-S21 PolarHBondContact O-N 3.24Å
20	P	51.2	Low	59.8	Low	122 Å²	122	124.1 Å²	124.1	79%	0.792	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-58	116.7	177.8	22.4	-29.5	0	0	0	107.6	D22	P20-D22 VanDerWaalsContact C-N 3.32Å; P20-D22 PolarHBondContact O-N 2.89Å
21	S	50.1	Low	61.2	Low	114 Å²	114	118.7 Å²	118.7	80%	0.797	69%	0.687	S	S	*	*			trans	-53.5	101.5	164.8	153	0	0	0	0	106.5	P19 G23	P19-S21 PolarHBondContact O-N 3.24Å; S21-G23 PolarHBondContact O-N 2.56Å
22	D	53.7	Low	62.8	Low	150 Å²	150	114.4 Å²	114.4	80%	0.802	69%	0.692	S	S	*	*			trans	-70.5	64	172.1	-168.4	23.6	0	0	0	108.8	P20 Q24	P20-D22 VanDerWaalsContact C-N 3.32Å; P20-D22 PolarHBondContact O-N 2.89Å; D22-Q24 PolarHBondContact O-N 3.32Å
23	G	50	Low	64.7	Low	51 Å²	51	112.2 Å²	112.2	53%	0.526	67%	0.666	S	S	.	*			trans	-72	109.3	159	0	0	0	0	0	104.8	S21 E25	S21-G23 PolarHBondContact O-N 2.56Å; G23-E25 VanDerWaalsContact C-N 3.32Å; G23-E25 PolarHBondContact O-N 2.03Å
24	Q	48.2	Very low	66.4	Low	189 Å²	189	107.3 Å²	107.3	88%	0.883	64%	0.644	S	S	*	*			trans	-34.5	94.3	178.6	-74.6	-175.5	-56.6	0	0	111.4	D22 L26	D22-Q24 PolarHBondContact O-N 3.32Å; Q24-L26 PolarHBondContact O-N 2.87Å
25	E	56	Low	68	Low	174 Å²	174	107.6 Å²	107.6	81%	0.813	64%	0.637	S	S	*	*			trans	-69.9	109.3	175.1	-169	178.6	-177.6	0	0	104.6	G23 K27	G23-E25 VanDerWaalsContact C-N 3.32Å; G23-E25 PolarHBondContact O-N 2.03Å; E25-K27 VanDerWaalsContact C-N 3.29Å; E25-K27 PolarHBondContact O-N 3.07Å
26	L	62.5	Low	69.6	Low	70 Å²	70	107.2 Å²	107.2	37%	0.366	63%	0.63	S	S	.	*			trans	-54.5	99.7	171.7	-85.4	157.2	0	0	0	106.8	Q24 F40 N78 F79 L82	Q24-L26 PolarHBondContact O-N 2.87Å; L26-F40 HydrophobicContact CD2-CD2 4.22Å; L26-F40 HydrophobicContact CD2-CE2 3.76Å; L26-N78 HydrophobicContact CD1-CB 4.07Å; L26-F79 HydrophobicContact CD2-CB 4.35Å; L26-F79 HydrophobicContact CD2-CD2 4.44Å; L26-L82 HydrophobicContact CB-CD2 3.5Å; L26-L82 VanDerWaalsContact CB-CD2 3.5Å; L26-L82 WeakPolarHBondContact O-CD2 3.38Å
27	K	74.8	Confident	71.3	Confident	160 Å²	160	103.5 Å²	103.5	70%	0.696	60%	0.597	S	S	*	*			trans	-92	129.9	176.9	-168.2	171.5	-177.4	173.3	0	108.2	E25 M29	E25-K27 VanDerWaalsContact C-N 3.29Å; E25-K27 PolarHBondContact O-N 3.07Å; K27-M29 HydrophobicContact CB-SD 4.26Å; K27-M29 HydrophobicContact CD-SD 4.08Å; K27-M29 HydrophobicContact CG-SD 4.03Å; K27-M29 WeakPolarHBondContact O-CG 3.29Å; K27-M29 PolarHBondContact O-N 3.37Å
28	L	83.1	Confident	73	Confident	31 Å²	31	99.5 Å²	99.5	16%	0.162	56%	0.563	C	S	.	*			trans	-68.7	102.9	174	-70.6	-178.7	0	0	0	109.5	F38 F79 L82 L83 N86	L28-F38 HydrophobicContact CB-CD1 3.64Å; L28-F38 HydrophobicContact CB-CE1 3.91Å; L28-F38 HydrophobicContact CD1-CE1 4.46Å; L28-F38 HydrophobicContact CD2-CD1 4.45Å; L28-F38 HydrophobicContact CG-CD1 4.42Å; L28-F79 HydrophobicContact CD2-CD2 4.26Å; L28-F79 HydrophobicContact CD2-CE2 3.57Å; L28-F79 HydrophobicContact CD2-CZ 4.05Å; L28-L82 HydrophobicContact CD2-CD2 4.32Å; L28-L82 HydrophobicContact CG-CD2 4.36Å; L28-L83 HydrophobicContact CD1-CD1 4.22Å; L28-L83 HydrophobicContact CD2-CB 4.21Å; L28-L83 HydrophobicContact CD2-CD1 4.05Å; L28-N86 HydrophobicContact CD1-CB 3.48Å; L28-N86 VanDerWaalsContact CD1-CB 3.48Å; L28-N86 VanDerWaalsContact CD1-CG 3.43Å
29	M	82.8	Confident	74.8	Confident	105 Å²	105	92.9 Å²	92.9	52%	0.517	54%	0.536	S	S	.	.	B	Isolated β-bridge	trans	-95.5	141.3	-179	-61.2	-58.9	-81	0	0	110.6	K27 F38 S39	K27-M29 HydrophobicContact CB-SD 4.26Å; K27-M29 HydrophobicContact CD-SD 4.08Å; K27-M29 HydrophobicContact CG-SD 4.03Å; K27-M29 WeakPolarHBondContact O-CG 3.29Å; K27-M29 PolarHBondContact O-N 3.37Å; M29-F38 CarbonylContact O-C 3.49Å; M29-F38 VanDerWaalsContact O-CA 3.25Å; M29-F38 WeakPolarHBondContact O-CA 3.41Å; M29-S39 PolarHBondContact O-N 2.9Å
30	R	79.4	Confident	76.6	Confident	154 Å²	154	88.7 Å²	88.7	58%	0.581	51%	0.506	S	S	*	.			trans	-103.7	-5.5	176.6	-64.9	-177.5	-177.3	172.6	2.8	114	F38	R30-F38 HydrophobicContact CG-CD1 3.92Å; R30-F38 HydrophobicContact CG-CE1 3.74Å; R30-F38 HydrophobicContact CG-CZ 4.39Å
31	G	79.7	Confident	78.5	Confident	55 Å²	55	89.1 Å²	89.1	57%	0.567	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	139.7	-177.8	0	0	0	0	0	112.5	C33 S39	G31-C33 VanDerWaalsContact C-N 3.28Å; G31-C33 PolarHBondContact O-N 3.23Å; G31-S39 WeakPolarHBondContact O-CB 3.48Å; G31-S39 PolarHBondContact O-OG 3.19Å
32	G	86.4	Confident	80.5	Confident	86 Å²	86	85.7 Å²	85.7	89%	0.887	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	8.5	177.2	0	0	0	0	0	115.4
33	C	93.2	Very high	82.4	Confident	23 Å²	23	79.9 Å²	79.9	16%	0.155	45%	0.447	C	S	.	.	S	Bend	trans	-125.4	159.3	178.5	-71.5	0	0	0	0	111.9	G31 W37 C44	G31-C33 VanDerWaalsContact C-N 3.28Å; G31-C33 PolarHBondContact O-N 3.23Å; C33-W37 HydrophobicContact CB-CB 3.8Å; C33-C44 WeakPolarHBondContact CA-SG 3.48Å; C33-C44 HydrophobicContact CB-CB 3.79Å; C33-C44 WeakPolarHBondContact CB-SG 3.45Å; C33-C44 WeakPolarHBondContact SG-CA 3.48Å; C33-C44 WeakPolarHBondContact SG-CB 3.5Å; C33-C44 CovalentContact SG-SG 2.03Å; C33-C44 PolarHBondContact SG-SG 3.03Å
34	P	93.5	Very high	84.7	Confident	59 Å²	59	77.8 Å²	77.8	38%	0.383	42%	0.424	S	S	.	.			trans	-58.4	160.7	171.6	-20.8	32.2	0	0	0	111.9	F36 W37 I160	P34-F36 PolarHBondContact O-N 3.15Å; P34-W37 HydrophobicContact CB-CG 4.4Å; P34-W37 WeakPolarHBondContact O-CB 2.99Å; P34-W37 PolarHBondContact O-N 3.18Å; P34-I160 HydrophobicContact CG-CD1 4.06Å
35	P	91.3	Very high	87	Confident	102 Å²	102	68.8 Å²	68.8	66%	0.662	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	136.9	176.9	-27.3	35.4	0	0	0	112.4	W37	P35-W37 PolarHBondContact O-N 3.25Å
36	F	90.6	Very high	89	Confident	146 Å²	146	62.3 Å²	62.3	64%	0.64	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	7.6	-178.8	-43.1	-74.4	0	0	0	115.9	P34	P34-F36 PolarHBondContact O-N 3.15Å
37	W	96.1	Very high	90.8	Very high	7 Å²	7	60.5 Å²	60.5	3%	0.027	34%	0.34	C	S	.	.			trans	-99.9	152.9	168.1	-66.8	75.9	0	0	0	111	C33 P34 P35 C44 Y45 K46 E64 A66 C158 I160	C33-W37 HydrophobicContact CB-CB 3.8Å; P34-W37 HydrophobicContact CB-CG 4.4Å; P34-W37 WeakPolarHBondContact O-CB 2.99Å; P34-W37 PolarHBondContact O-N 3.18Å; P35-W37 PolarHBondContact O-N 3.25Å; W37-C44 HydrophobicContact CB-CB 4.11Å; W37-C44 HydrophobicContact CD2-CB 4.42Å; W37-C44 HydrophobicContact CE3-CB 3.91Å; W37-Y45 CarbonylContact C-O 3.23Å; W37-Y45 WeakPolarHBondContact CA-O 3.41Å; W37-K46 HydrophobicContact CD2-CB 3.58Å; W37-K46 HydrophobicContact CD2-CD 4.12Å; W37-K46 HydrophobicContact CD2-CG 4.47Å; W37-K46 HydrophobicContact CE3-CB 3.55Å; W37-K46 HydrophobicContact CG-CB 4.2Å; W37-K46 HydrophobicContact CG-CD 4.4Å; W37-K46 HydrophobicContact CH2-CB 3.88Å; W37-K46 HydrophobicContact CZ2-CB 3.91Å; W37-K46 HydrophobicContact CZ2-CD 3.81Å; W37-K46 HydrophobicContact CZ3-CB 3.71Å; W37-E64 HydrophobicContact CH2-CB 4.47Å; W37-E64 HydrophobicContact CZ2-CB 3.91Å; W37-E64 HydrophobicContact CZ2-CG 4.49Å; W37-A66 HydrophobicContact CH2-CB 3.64Å; W37-A66 HydrophobicContact CZ2-CB 4.48Å; W37-A66 HydrophobicContact CZ3-CB 4.34Å; W37-C158 HydrophobicContact CH2-CB 3.61Å; W37-C158 HydrophobicContact CZ3-CB 4.06Å; W37-I160 HydrophobicContact CD2-CD1 3.86Å; W37-I160 HydrophobicContact CE3-CD1 3.87Å; W37-I160 HydrophobicContact CE3-CG1 4.09Å; W37-I160 HydrophobicContact CH2-CD1 4.02Å; W37-I160 HydrophobicContact CH2-CG1 3.82Å; W37-I160 HydrophobicContact CZ2-CD1 3.99Å; W37-I160 HydrophobicContact CZ2-CG1 4.27Å; W37-I160 HydrophobicContact CZ3-CD1 3.96Å; W37-I160 HydrophobicContact CZ3-CG1 3.72Å
38	F	95.9	Very high	91.9	Very high	7 Å²	7	54.2 Å²	54.2	3%	0.031	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.6	-177.8	-64.8	-88.6	0	0	0	110.2	L28 M29 R30 C44 Y45 F79 L83 F87	L28-F38 HydrophobicContact CB-CD1 3.64Å; L28-F38 HydrophobicContact CB-CE1 3.91Å; L28-F38 HydrophobicContact CD1-CE1 4.46Å; L28-F38 HydrophobicContact CD2-CD1 4.45Å; L28-F38 HydrophobicContact CG-CD1 4.42Å; M29-F38 CarbonylContact O-C 3.49Å; M29-F38 VanDerWaalsContact O-CA 3.25Å; M29-F38 WeakPolarHBondContact O-CA 3.41Å; R30-F38 HydrophobicContact CG-CD1 3.92Å; R30-F38 HydrophobicContact CG-CE1 3.74Å; R30-F38 HydrophobicContact CG-CZ 4.39Å; F38-C44 CarbonylContact O-C 3.52Å; F38-C44 WeakPolarHBondContact O-CA 3.39Å; F38-Y45 PolarHBondContact N-O 3.1Å; F38-Y45 WeakPolarHBondContact O-CD2 3.45Å; F38-Y45 PolarHBondContact O-N 3.14Å; F38-F79 HydrophobicContact CB-CZ 4.02Å; F38-L83 HydrophobicContact CB-CD1 4.2Å; F38-L83 HydrophobicContact CD2-CD1 3.52Å; F38-L83 HydrophobicContact CE2-CD1 4.09Å; F38-L83 HydrophobicContact CG-CD1 3.88Å; F38-F87 HydrophobicContact CD2-CE2 4.25Å; F38-F87 AromaticContact CE2-CE2 3.47Å; F38-F87 HydrophobicContact CE2-CE2 3.47Å; F38-F87 VanDerWaalsContact CE2-CE2 3.47Å; F38-F87 AromaticContact CE2-CZ 3.45Å; F38-F87 HydrophobicContact CE2-CZ 3.45Å; F38-F87 VanDerWaalsContact CE2-CZ 3.45Å; F38-F87 AromaticContact CZ-CE2 3.78Å; F38-F87 HydrophobicContact CZ-CE2 3.78Å; F38-F87 AromaticContact CZ-CZ 3.5Å; F38-F87 HydrophobicContact CZ-CZ 3.5Å; F38-F87 VanDerWaalsContact CZ-CZ 3.5Å
39	S	94.9	Very high	92.6	Very high	34 Å²	34	55 Å²	55	24%	0.238	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	133.7	-177.4	-176	0	0	0	0	111	M29 G31 R43	M29-S39 PolarHBondContact O-N 2.9Å; G31-S39 WeakPolarHBondContact O-CB 3.48Å; G31-S39 PolarHBondContact O-OG 3.19Å; S39-R43 WeakPolarHBondContact CA-O 3.36Å
40	F	94.5	Very high	93.3	Very high	24 Å²	24	53 Å²	53	11%	0.105	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	124.5	167.8	177.3	-95	0	0	0	109.5	L26 G42 R43 Y45 N75 E76 F79	L26-F40 HydrophobicContact CD2-CD2 4.22Å; L26-F40 HydrophobicContact CD2-CE2 3.76Å; F40-G42 PolarHBondContact O-N 3.48Å; F40-G42 VanDerWaalsContact O-N 3.09Å; F40-R43 PolarHBondContact N-O 3.43Å; F40-R43 PolarHBondContact O-N 3.22Å; F40-Y45 HydrophobicContact CB-CD2 4.1Å; F40-Y45 HydrophobicContact CB-CE2 3.65Å; F40-Y45 HydrophobicContact CD1-CE2 4.29Å; F40-Y45 HydrophobicContact CG-CE2 4.47Å; F40-N75 HydrophobicContact CZ-CB 3.86Å; F40-N75 WeakPolarHBondContact CZ-O 3Å; F40-E76 HydrophobicContact CD1-CB 4.48Å; F40-E76 HydrophobicContact CD1-CG 4.45Å; F40-E76 VanDerWaalsContact CE1-CA 3.47Å; F40-E76 HydrophobicContact CE1-CB 3.82Å; F40-E76 HydrophobicContact CE1-CG 4.27Å; F40-F79 HydrophobicContact CB-CD1 3.64Å; F40-F79 HydrophobicContact CB-CD2 3.68Å; F40-F79 HydrophobicContact CB-CE1 3.59Å; F40-F79 HydrophobicContact CB-CE2 3.61Å; F40-F79 HydrophobicContact CB-CG 3.69Å; F40-F79 HydrophobicContact CB-CZ 3.57Å; F40-F79 HydrophobicContact CD1-CB 4.15Å; F40-F79 HydrophobicContact CD1-CD1 4.11Å; F40-F79 HydrophobicContact CD1-CG 4.05Å; F40-F79 HydrophobicContact CD2-CB 3.72Å; F40-F79 HydrophobicContact CD2-CD1 4.3Å; F40-F79 AromaticContact CD2-CD2 3.47Å; F40-F79 HydrophobicContact CD2-CD2 3.47Å; F40-F79 VanDerWaalsContact CD2-CD2 3.47Å; F40-F79 HydrophobicContact CD2-CE2 4.17Å; F40-F79 AromaticContact CD2-CG 3.54Å; F40-F79 HydrophobicContact CD2-CG 3.54Å; F40-F79 HydrophobicContact CE1-CB 4.24Å; F40-F79 HydrophobicContact CE2-CB 3.81Å; F40-F79 HydrophobicContact CE2-CD2 4.3Å; F40-F79 HydrophobicContact CE2-CG 4.16Å; F40-F79 HydrophobicContact CG-CB 3.9Å; F40-F79 AromaticContact CG-CD1 3.76Å; F40-F79 HydrophobicContact CG-CD1 3.76Å; F40-F79 AromaticContact CG-CD2 3.71Å; F40-F79 HydrophobicContact CG-CD2 3.71Å; F40-F79 HydrophobicContact CG-CE1 4.24Å; F40-F79 HydrophobicContact CG-CE2 4.17Å; F40-F79 AromaticContact CG-CG 3.47Å; F40-F79 HydrophobicContact CG-CG 3.47Å; F40-F79 VanDerWaalsContact CG-CG 3.47Å; F40-F79 HydrophobicContact CG-CZ 4.42Å; F40-F79 HydrophobicContact CZ-CB 4.07Å
41	Q	92.5	Very high	94.2	Very high	130 Å²	130	53.2 Å²	53.2	61%	0.607	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	42	177	-63	-175.5	-11.2	0	0	114.6	R43	Q41-R43 VanDerWaalsContact C-N 3.32Å; Q41-R43 PolarHBondContact O-N 3.27Å
42	G	91	Very high	95.2	Very high	42 Å²	42	52.1 Å²	52.1	43%	0.433	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	5.4	176.7	0	0	0	0	0	115.1	F40 T162	F40-G42 PolarHBondContact O-N 3.48Å; F40-G42 VanDerWaalsContact O-N 3.09Å; G42-T162 PolarHBondContact O-OG1 2.96Å
43	R	94.8	Very high	95.7	Very high	29 Å²	29	49.4 Å²	49.4	11%	0.109	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	158.2	174.5	-63.8	173.6	66.3	155.8	11.3	110.5	S39 F40 Q41 Y45 S70 H72 E76 D111 T159	S39-R43 WeakPolarHBondContact CA-O 3.36Å; F40-R43 PolarHBondContact N-O 3.43Å; F40-R43 PolarHBondContact O-N 3.22Å; Q41-R43 VanDerWaalsContact C-N 3.32Å; Q41-R43 PolarHBondContact O-N 3.27Å; R43-Y45 HydrophobicContact CB-CD2 4.44Å; R43-Y45 HydrophobicContact CB-CE2 3.51Å; R43-Y45 WeakPolarHBondContact CB-OH 3.25Å; R43-Y45 WeakPolarHBondContact CD-OH 3.49Å; R43-Y45 WeakPolarHBondContact O-CE2 3.38Å; R43-S70 PolarHBondContact NH1-OG 2.95Å; R43-S70 PolarHBondContact NH2-OG 2.81Å; R43-H72 PolarHBondContact NH1-CD2 3.34Å; R43-H72 PolarHBondContact NH1-NE2 2.98Å; R43-E76 IonicContact CZ-OE1 3.32Å; R43-E76 IonicContact NE-OE1 3.56Å; R43-E76 IonicContact NH1-OE1 3.68Å; R43-E76 PolarHBondContact NH1-OE1 2.77Å; R43-D111 IonicContact NH2-OD2 3.75Å; R43-T159 PolarHBondContact NE-OG1 2.57Å; R43-T159 PolarHBondContact NH2-OG1 2.73Å
44	C	96.8	Very high	96	Very high	7 Å²	7	49.8 Å²	49.8	5%	0.047	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	136.9	178.1	-60.1	0	0	0	0	110.2	C33 W37 F38 T159 I160	C33-C44 WeakPolarHBondContact CA-SG 3.48Å; C33-C44 HydrophobicContact CB-CB 3.79Å; C33-C44 WeakPolarHBondContact CB-SG 3.45Å; C33-C44 WeakPolarHBondContact SG-CA 3.48Å; C33-C44 WeakPolarHBondContact SG-CB 3.5Å; C33-C44 CovalentContact SG-SG 2.03Å; C33-C44 PolarHBondContact SG-SG 3.03Å; W37-C44 HydrophobicContact CB-CB 4.11Å; W37-C44 HydrophobicContact CD2-CB 4.42Å; W37-C44 HydrophobicContact CE3-CB 3.91Å; F38-C44 CarbonylContact O-C 3.52Å; F38-C44 WeakPolarHBondContact O-CA 3.39Å; C44-T159 CarbonylContact O-C 3.55Å; C44-T159 VanDerWaalsContact O-CA 3.23Å; C44-T159 WeakPolarHBondContact O-CA 3.42Å; C44-T159 PolarHBondContact O-OG1 3.12Å; C44-I160 HydrophobicContact CB-CB 4.19Å; C44-I160 HydrophobicContact CB-CD1 4.24Å; C44-I160 PolarHBondContact O-N 2.8Å
45	Y	98.1	Very high	96.3	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	145.6	-176.7	-54.2	-104.5	0	0	0	111.5	W37 F38 F40 R43 V69 E76 F79 V80 C158	W37-Y45 CarbonylContact C-O 3.23Å; W37-Y45 WeakPolarHBondContact CA-O 3.41Å; F38-Y45 PolarHBondContact N-O 3.1Å; F38-Y45 WeakPolarHBondContact O-CD2 3.45Å; F38-Y45 PolarHBondContact O-N 3.14Å; F40-Y45 HydrophobicContact CB-CD2 4.1Å; F40-Y45 HydrophobicContact CB-CE2 3.65Å; F40-Y45 HydrophobicContact CD1-CE2 4.29Å; F40-Y45 HydrophobicContact CG-CE2 4.47Å; R43-Y45 HydrophobicContact CB-CD2 4.44Å; R43-Y45 HydrophobicContact CB-CE2 3.51Å; R43-Y45 WeakPolarHBondContact CB-OH 3.25Å; R43-Y45 WeakPolarHBondContact CD-OH 3.49Å; R43-Y45 WeakPolarHBondContact O-CE2 3.38Å; Y45-V69 HydrophobicContact CD1-CG2 3.81Å; Y45-V69 HydrophobicContact CE1-CG2 3.75Å; Y45-E76 HydrophobicContact CE1-CG 4.31Å; Y45-E76 PolarHBondContact OH-OE1 3.32Å; Y45-F79 HydrophobicContact CD1-CE1 4.16Å; Y45-F79 HydrophobicContact CD2-CD1 4.18Å; Y45-F79 AromaticContact CD2-CE1 3.37Å; Y45-F79 HydrophobicContact CD2-CE1 3.37Å; Y45-F79 HydrophobicContact CD2-CZ 4.04Å; Y45-F79 HydrophobicContact CE2-CD1 4.35Å; Y45-F79 AromaticContact CE2-CE1 3.93Å; Y45-F79 HydrophobicContact CE2-CE1 3.93Å; Y45-F79 HydrophobicContact CG-CD1 4.3Å; Y45-F79 AromaticContact CG-CE1 3.52Å; Y45-F79 HydrophobicContact CG-CE1 3.52Å; Y45-F79 HydrophobicContact CG-CZ 4.41Å; Y45-V80 HydrophobicContact CD1-CG2 4.39Å; Y45-V80 HydrophobicContact CE1-CG2 4.47Å; Y45-C158 VanDerWaalsContact CA-O 3.31Å; Y45-C158 WeakPolarHBondContact CA-O 3.36Å
46	K	98.1	Very high	96.6	Very high	37 Å²	37	48.4 Å²	48.4	16%	0.161	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	128.3	177.8	-177.6	175.1	173.7	-171.9	0	110	W37 F48 E64 V157 C158	W37-K46 HydrophobicContact CD2-CB 3.58Å; W37-K46 HydrophobicContact CD2-CD 4.12Å; W37-K46 HydrophobicContact CD2-CG 4.47Å; W37-K46 HydrophobicContact CE3-CB 3.55Å; W37-K46 HydrophobicContact CG-CB 4.2Å; W37-K46 HydrophobicContact CG-CD 4.4Å; W37-K46 HydrophobicContact CH2-CB 3.88Å; W37-K46 HydrophobicContact CZ2-CB 3.91Å; W37-K46 HydrophobicContact CZ2-CD 3.81Å; W37-K46 HydrophobicContact CZ3-CB 3.71Å; K46-F48 HydrophobicContact CB-CE2 4.03Å; K46-F48 HydrophobicContact CD-CE1 4.36Å; K46-F48 HydrophobicContact CD-CE2 3.64Å; K46-F48 HydrophobicContact CD-CZ 3.52Å; K46-F48 HydrophobicContact CG-CD2 4.17Å; K46-F48 HydrophobicContact CG-CE2 3.61Å; K46-F48 HydrophobicContact CG-CZ 3.99Å; K46-E64 IonicContact NZ-OE1 2.81Å; K46-E64 PolarHBondContact NZ-OE1 2.82Å; K46-E64 IonicContact NZ-OE2 3.85Å; K46-V157 WeakPolarHBondContact O-CA 3.44Å; K46-C158 PolarHBondContact N-O 3.2Å; K46-C158 PolarHBondContact O-N 2.7Å
47	Y	98.5	Very high	97	Very high	32 Å²	32	41.5 Å²	41.5	13%	0.125	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	138.1	173.1	172.4	-103.1	0	0	0	110.3	I84 F87 D88 T94 A155 V157	Y47-I84 HydrophobicContact CD2-CB 4.48Å; Y47-I84 HydrophobicContact CD2-CG1 3.94Å; Y47-I84 HydrophobicContact CD2-CG2 4.39Å; Y47-I84 HydrophobicContact CE2-CG1 4.26Å; Y47-I84 HydrophobicContact CE2-CG2 3.98Å; Y47-F87 HydrophobicContact CD1-CB 3.34Å; Y47-F87 HydrophobicContact CD1-CD2 4.39Å; Y47-F87 HydrophobicContact CD1-CG 4.06Å; Y47-F87 HydrophobicContact CE1-CB 3.72Å; Y47-F87 HydrophobicContact CG-CB 4.25Å; Y47-D88 HydrophobicContact CE1-CB 4.25Å; Y47-D88 WeakPolarHBondContact OH-CB 3.47Å; Y47-T94 HydrophobicContact CD2-CG2 4.42Å; Y47-T94 HydrophobicContact CE2-CG2 4.2Å; Y47-A155 HydrophobicContact CE2-CB 3.68Å; Y47-A155 VanDerWaalsContact OH-CB 3.31Å; Y47-A155 WeakPolarHBondContact OH-CB 3.43Å; Y47-V157 HydrophobicContact CD2-CG2 3.93Å
48	F	98.5	Very high	97.2	Very high	28 Å²	28	42.2 Å²	42.2	12%	0.123	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	115.2	173.5	-69.9	-97.9	0	0	0	109.1	K46 S50 E64 A155 F156 C158	K46-F48 HydrophobicContact CB-CE2 4.03Å; K46-F48 HydrophobicContact CD-CE1 4.36Å; K46-F48 HydrophobicContact CD-CE2 3.64Å; K46-F48 HydrophobicContact CD-CZ 3.52Å; K46-F48 HydrophobicContact CG-CD2 4.17Å; K46-F48 HydrophobicContact CG-CE2 3.61Å; K46-F48 HydrophobicContact CG-CZ 3.99Å; F48-S50 VanDerWaalsContact C-N 3.28Å; F48-S50 PolarHBondContact O-N 2.76Å; F48-E64 HydrophobicContact CZ-CG 4.06Å; F48-E64 WeakPolarHBondContact CZ-OE1 3.49Å; F48-A155 WeakPolarHBondContact O-CA 3.44Å; F48-A155 WeakPolarHBondContact O-CB 3.39Å; F48-F156 HydrophobicContact CB-CD1 4Å; F48-F156 HydrophobicContact CB-CD2 3.94Å; F48-F156 HydrophobicContact CB-CE1 3.58Å; F48-F156 HydrophobicContact CB-CE2 3.51Å; F48-F156 HydrophobicContact CB-CG 4.15Å; F48-F156 HydrophobicContact CB-CZ 3.3Å; F48-F156 HydrophobicContact CD1-CE2 4.24Å; F48-F156 HydrophobicContact CD1-CZ 4.04Å; F48-F156 AromaticContact CD2-CD2 3.97Å; F48-F156 HydrophobicContact CD2-CD2 3.97Å; F48-F156 AromaticContact CD2-CE2 3.46Å; F48-F156 HydrophobicContact CD2-CE2 3.46Å; F48-F156 VanDerWaalsContact CD2-CE2 3.46Å; F48-F156 HydrophobicContact CD2-CZ 4.04Å; F48-F156 HydrophobicContact CE2-CE2 4.19Å; F48-F156 HydrophobicContact CG-CD2 4.2Å; F48-F156 HydrophobicContact CG-CE1 4.34Å; F48-F156 AromaticContact CG-CE2 3.49Å; F48-F156 HydrophobicContact CG-CE2 3.49Å; F48-F156 VanDerWaalsContact CG-CE2 3.49Å; F48-F156 AromaticContact CG-CZ 3.55Å; F48-F156 HydrophobicContact CG-CZ 3.55Å; F48-F156 PolarHBondContact N-O 3.41Å; F48-F156 PolarHBondContact O-N 3.49Å; F48-C158 HydrophobicContact CE2-CB 4.12Å; F48-C158 WeakPolarHBondContact CE2-SG 3.22Å
49	G	98.2	Very high	97.3	Very high	48 Å²	48	46 Å²	46	50%	0.495	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-8.4	179.8	0	0	0	0	0	114.8	R51	G49-R51 PolarHBondContact O-N 2.7Å
50	S	97.9	Very high	97.5	Very high	62 Å²	62	47 Å²	47	43%	0.434	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	130.1	174.6	53	0	0	0	0	110.6	F48 F156	F48-S50 VanDerWaalsContact C-N 3.28Å; F48-S50 PolarHBondContact O-N 2.76Å; S50-F156 WeakPolarHBondContact OG-CE1 3.49Å
51	R	98.7	Very high	97.7	Very high	160 Å²	160	45.9 Å²	45.9	60%	0.604	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	113.8	-177.5	-63	178.4	68.8	155.3	3.1	111.6	G49 K153 F154	G49-R51 PolarHBondContact O-N 2.7Å; R51-K153 HydrophobicContact CB-CB 4.16Å; R51-K153 PolarHBondContact NE-O 2.98Å; R51-K153 PolarHBondContact NH2-O 3.44Å; R51-F154 WeakPolarHBondContact CA-O 3.37Å
52	V	98.9	Very high	97.9	Very high	31 Å²	31	43.3 Å²	43.3	19%	0.188	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	165.9	-175.5	-61.5	0	0	0	0	110.8	E56 A57 W95 K153 F154 F156	V52-E56 HydrophobicContact CB-CB 3.78Å; V52-E56 HydrophobicContact CG2-CB 4.07Å; V52-A57 HydrophobicContact CG2-CB 3.77Å; V52-W95 PolarHBondContact O-NE1 2.87Å; V52-K153 WeakPolarHBondContact O-CA 3.48Å; V52-F154 PolarHBondContact N-O 3.37Å; V52-F154 PolarHBondContact O-N 3.02Å; V52-F154 VanDerWaalsContact O-N 3.1Å; V52-F156 HydrophobicContact CG2-CD1 3.77Å; V52-F156 HydrophobicContact CG2-CE1 3.57Å
53	T	98.9	Very high	98.2	Very high	29 Å²	29	49.3 Å²	49.3	18%	0.178	26%	0.255	C	S	.	.			trans	-63.7	159.9	172.9	63.4	0	0	0	0	111.3	G55 E56 A57 C150 S151 N152 K153	T53-G55 VanDerWaalsContact C-N 3.27Å; T53-G55 PolarHBondContact O-N 3.31Å; T53-E56 WeakPolarHBondContact CB-OE2 3.39Å; T53-E56 WeakPolarHBondContact CG2-OE2 3.2Å; T53-E56 PolarHBondContact N-OE2 2.93Å; T53-E56 PolarHBondContact O-N 2.74Å; T53-E56 WeakPolarHBondContact OG1-CB 3.41Å; T53-E56 VanDerWaalsContact OG1-CD 3.22Å; T53-E56 WeakPolarHBondContact OG1-CG 3.4Å; T53-E56 PolarHBondContact OG1-N 2.88Å; T53-E56 PolarHBondContact OG1-OE2 3.1Å; T53-A57 WeakPolarHBondContact O-CB 3.38Å; T53-A57 PolarHBondContact O-N 3.09Å; T53-C150 WeakPolarHBondContact CB-O 3.48Å; T53-S151 WeakPolarHBondContact CG2-O 3.25Å; T53-N152 WeakPolarHBondContact CA-O 3.25Å; T53-K153 HydrophobicContact CG2-CG 4.4Å
54	W	98.9	Very high	98.3	Very high	32 Å²	32	50.9 Å²	50.9	12%	0.121	26%	0.263	C	S	.	.	H	α-helix	trans	-57.4	-42.9	179.8	-174.9	96.7	0	0	0	111.8	A57 E58 L68 W95 I96 T99 C134 C150	W54-A57 WeakPolarHBondContact O-CB 3.42Å; W54-A57 PolarHBondContact O-N 3.41Å; W54-E58 HydrophobicContact CZ3-CB 4.39Å; W54-E58 PolarHBondContact O-N 2.94Å; W54-L68 HydrophobicContact CD2-CD1 3.99Å; W54-L68 HydrophobicContact CG-CD1 4.22Å; W54-L68 HydrophobicContact CZ2-CD1 3.95Å; W54-W95 HydrophobicContact CB-CD2 4.2Å; W54-W95 HydrophobicContact CB-CZ2 4.44Å; W54-W95 AromaticContact CD1-CD2 3.96Å; W54-W95 AromaticContact CD1-CE3 3.86Å; W54-I96 PolarHBondContact NE1-O 3.24Å; W54-T99 HydrophobicContact CH2-CG2 3.79Å; W54-T99 HydrophobicContact CZ2-CG2 3.9Å; W54-C134 HydrophobicContact CB-CB 3.96Å; W54-C134 VanDerWaalsContact CB-SG 3.55Å; W54-C134 HydrophobicContact CD2-CB 4.43Å; W54-C134 HydrophobicContact CG-CB 3.74Å; W54-C150 HydrophobicContact CB-CB 4.38Å; W54-C150 PolarHBondContact N-O 2.81Å; W54-C150 VanDerWaalsContact N-O 3.08Å
55	G	98.8	Very high	98.2	Very high	41 Å²	41	61.5 Å²	61.5	42%	0.423	30%	0.302	S	S	.	.	H	α-helix	trans	-66.4	-38.5	177.9	0	0	0	0	0	113.6	T53 A57 L59	T53-G55 VanDerWaalsContact C-N 3.27Å; T53-G55 PolarHBondContact O-N 3.31Å; G55-A57 VanDerWaalsContact C-N 3.33Å; G55-L59 WeakPolarHBondContact O-CB 3.23Å; G55-L59 PolarHBondContact O-N 3.27Å
56	E	98.9	Very high	98.2	Very high	91 Å²	91	61.7 Å²	61.7	43%	0.425	30%	0.304	S	S	.	.	H	α-helix	trans	-66	-36.4	173.1	-74	167.4	146.1	0	0	111.9	V52 T53 L59 Q60	V52-E56 HydrophobicContact CB-CB 3.78Å; V52-E56 HydrophobicContact CG2-CB 4.07Å; T53-E56 WeakPolarHBondContact CB-OE2 3.39Å; T53-E56 WeakPolarHBondContact CG2-OE2 3.2Å; T53-E56 PolarHBondContact N-OE2 2.93Å; T53-E56 PolarHBondContact O-N 2.74Å; T53-E56 WeakPolarHBondContact OG1-CB 3.41Å; T53-E56 VanDerWaalsContact OG1-CD 3.22Å; T53-E56 WeakPolarHBondContact OG1-CG 3.4Å; T53-E56 PolarHBondContact OG1-N 2.88Å; T53-E56 PolarHBondContact OG1-OE2 3.1Å; E56-L59 PolarHBondContact O-N 2.94Å; E56-Q60 WeakPolarHBondContact O-CB 3.23Å; E56-Q60 PolarHBondContact O-N 2.95Å
57	A	98.9	Very high	98.2	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.7	-47.1	176.4	0	0	0	0	0	111.3	V52 T53 W54 G55 L59 Q60 C61 L68 F156	V52-A57 HydrophobicContact CG2-CB 3.77Å; T53-A57 WeakPolarHBondContact O-CB 3.38Å; T53-A57 PolarHBondContact O-N 3.09Å; W54-A57 WeakPolarHBondContact O-CB 3.42Å; W54-A57 PolarHBondContact O-N 3.41Å; G55-A57 VanDerWaalsContact C-N 3.33Å; A57-L59 PolarHBondContact O-N 3.4Å; A57-Q60 PolarHBondContact O-N 3.43Å; A57-C61 PolarHBondContact O-N 2.87Å; A57-C61 PolarHBondContact O-SG 3.34Å; A57-C61 VanDerWaalsContact O-SG 3.37Å; A57-L68 HydrophobicContact CB-CD1 4.24Å; A57-L68 HydrophobicContact CB-CD2 3.87Å; A57-L68 HydrophobicContact CB-CG 4.39Å; A57-F156 HydrophobicContact CB-CB 3.82Å; A57-F156 HydrophobicContact CB-CD1 3.79Å; A57-F156 HydrophobicContact CB-CD2 4Å; A57-F156 HydrophobicContact CB-CE1 4.33Å; A57-F156 HydrophobicContact CB-CG 3.61Å
58	E	98.8	Very high	98.2	Very high	23 Å²	23	60.4 Å²	60.4	11%	0.107	30%	0.301	C	S	.	.	H	α-helix	trans	-59.5	-46.9	174.7	-178.5	59.5	-149.7	0	0	111.1	W54 Q60 C61 V62 N67 L68 S110	W54-E58 HydrophobicContact CZ3-CB 4.39Å; W54-E58 PolarHBondContact O-N 2.94Å; E58-Q60 VanDerWaalsContact C-N 3.25Å; E58-Q60 PolarHBondContact O-N 3.25Å; E58-C61 PolarHBondContact O-N 3.33Å; E58-C61 VanDerWaalsContact O-N 3.11Å; E58-V62 WeakPolarHBondContact O-CG2 3.36Å; E58-V62 PolarHBondContact O-N 3.01Å; E58-N67 PolarHBondContact OE1-ND2 3.47Å; E58-L68 HydrophobicContact CB-CD1 3.92Å; E58-L68 HydrophobicContact CB-CG 4.24Å; E58-L68 WeakPolarHBondContact OE2-CB 3.02Å; E58-L68 WeakPolarHBondContact OE2-CG 3.14Å; E58-L68 PolarHBondContact OE2-N 2.75Å; E58-S110 WeakPolarHBondContact OE2-CB 3.36Å; E58-S110 PolarHBondContact OE2-OG 3.09Å
59	L	98.7	Very high	98.3	Very high	86 Å²	86	59 Å²	59	45%	0.45	30%	0.295	S	S	.	.	H	α-helix	trans	-57.5	-40.2	176.1	178.5	61.1	0	0	0	112	G55 E56 A57 V62 R63	G55-L59 WeakPolarHBondContact O-CB 3.23Å; G55-L59 PolarHBondContact O-N 3.27Å; E56-L59 PolarHBondContact O-N 2.94Å; A57-L59 PolarHBondContact O-N 3.4Å; L59-V62 PolarHBondContact O-N 3.38Å; L59-R63 WeakPolarHBondContact O-CG 3.44Å; L59-R63 PolarHBondContact O-N 2.8Å; L59-R63 VanDerWaalsContact O-N 3.09Å
60	Q	98.6	Very high	98.3	Very high	56 Å²	56	56.8 Å²	56.8	26%	0.262	27%	0.271	S	S	.	.	H	α-helix	trans	-67.9	-39.1	177.2	-175	57	28.5	0	0	112.1	E56 A57 E58 R63 E64 F156	E56-Q60 WeakPolarHBondContact O-CB 3.23Å; E56-Q60 PolarHBondContact O-N 2.95Å; A57-Q60 PolarHBondContact O-N 3.43Å; E58-Q60 VanDerWaalsContact C-N 3.25Å; E58-Q60 PolarHBondContact O-N 3.25Å; Q60-R63 PolarHBondContact O-N 3.23Å; Q60-E64 PolarHBondContact O-N 3.03Å; Q60-F156 HydrophobicContact CB-CE2 4.08Å; Q60-F156 HydrophobicContact CB-CZ 3.9Å; Q60-F156 HydrophobicContact CG-CE2 4.01Å; Q60-F156 HydrophobicContact CG-CZ 3.69Å
61	C	98.5	Very high	98.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.9	-42.2	172.8	-63.4	0	0	0	0	111.8	A57 E58 R63 E64 R65 A66 C158	A57-C61 PolarHBondContact O-N 2.87Å; A57-C61 PolarHBondContact O-SG 3.34Å; A57-C61 VanDerWaalsContact O-SG 3.37Å; E58-C61 PolarHBondContact O-N 3.33Å; E58-C61 VanDerWaalsContact O-N 3.11Å; C61-R63 VanDerWaalsContact C-N 3.29Å; C61-R63 PolarHBondContact O-N 2.83Å; C61-E64 CarbonylContact O-C 3.6Å; C61-E64 WeakPolarHBondContact O-CA 3.44Å; C61-E64 WeakPolarHBondContact O-CB 3.26Å; C61-E64 PolarHBondContact O-N 3.3Å; C61-R65 PolarHBondContact O-N 2.9Å; C61-A66 CarbonylContact C-O 3.54Å; C61-A66 VanDerWaalsContact C-O 3.23Å; C61-A66 HydrophobicContact CB-CB 4.33Å; C61-A66 CarbonylContact O-C 3.53Å; C61-A66 WeakPolarHBondContact O-CA 3.47Å; C61-A66 WeakPolarHBondContact O-CB 3.4Å; C61-A66 PolarHBondContact O-N 3.27Å; C61-C158 WeakPolarHBondContact CA-SG 3.31Å; C61-C158 HydrophobicContact CB-CB 3.75Å; C61-C158 WeakPolarHBondContact CB-SG 3.06Å; C61-C158 VanDerWaalsContact SG-CA 3.5Å; C61-C158 WeakPolarHBondContact SG-CB 3.4Å; C61-C158 CovalentContact SG-SG 2.04Å; C61-C158 PolarHBondContact SG-SG 2.99Å
62	V	98.1	Very high	98.3	Very high	76 Å²	76	49.3 Å²	49.3	46%	0.461	24%	0.236	S	C	.	.	H	α-helix	trans	-60.9	-37.9	177.5	169.6	0	0	0	0	111.9	E58 L59 E64 R65 A66	E58-V62 WeakPolarHBondContact O-CG2 3.36Å; E58-V62 PolarHBondContact O-N 3.01Å; L59-V62 PolarHBondContact O-N 3.38Å; V62-E64 PolarHBondContact O-N 3.2Å; V62-R65 WeakPolarHBondContact O-CA 3.37Å; V62-R65 PolarHBondContact O-N 2.58Å; V62-A66 VanDerWaalsContact CA-O 3.25Å; V62-A66 WeakPolarHBondContact CA-O 3.43Å; V62-A66 PolarHBondContact N-O 3.22Å
63	R	97.2	Very high	98.2	Very high	168 Å²	168	49.3 Å²	49.3	63%	0.634	24%	0.238	S	C	*	.	H	α-helix	trans	-61.4	-27.1	173.5	-72.1	171.5	-175.3	163.2	-0.5	113.2	L59 Q60 C61 R65	L59-R63 WeakPolarHBondContact O-CG 3.44Å; L59-R63 PolarHBondContact O-N 2.8Å; L59-R63 VanDerWaalsContact O-N 3.09Å; Q60-R63 PolarHBondContact O-N 3.23Å; C61-R63 VanDerWaalsContact C-N 3.29Å; C61-R63 PolarHBondContact O-N 2.83Å; R63-R65 VanDerWaalsContact C-N 3.28Å
64	E	95.6	Very high	98.2	Very high	61 Å²	61	52 Å²	52	29%	0.285	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	11.3	175.2	-64.2	-93.7	-156.2	0	0	112.5	W37 K46 F48 Q60 C61 V62 A66	W37-E64 HydrophobicContact CH2-CB 4.47Å; W37-E64 HydrophobicContact CZ2-CB 3.91Å; W37-E64 HydrophobicContact CZ2-CG 4.49Å; K46-E64 IonicContact NZ-OE1 2.81Å; K46-E64 PolarHBondContact NZ-OE1 2.82Å; K46-E64 IonicContact NZ-OE2 3.85Å; F48-E64 HydrophobicContact CZ-CG 4.06Å; F48-E64 WeakPolarHBondContact CZ-OE1 3.49Å; Q60-E64 PolarHBondContact O-N 3.03Å; C61-E64 CarbonylContact O-C 3.6Å; C61-E64 WeakPolarHBondContact O-CA 3.44Å; C61-E64 WeakPolarHBondContact O-CB 3.26Å; C61-E64 PolarHBondContact O-N 3.3Å; V62-E64 PolarHBondContact O-N 3.2Å; E64-A66 HydrophobicContact CB-CB 4.49Å; E64-A66 PolarHBondContact O-N 3.49Å
65	R	96	Very high	98.1	Very high	230 Å²	230	54.9 Å²	54.9	87%	0.868	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	38.3	-173.5	-54.7	-178.4	177.7	175.3	-1.3	112.6	C61 V62 R63	C61-R65 PolarHBondContact O-N 2.9Å; V62-R65 WeakPolarHBondContact O-CA 3.37Å; V62-R65 PolarHBondContact O-N 2.58Å; R63-R65 VanDerWaalsContact C-N 3.28Å
66	A	97.4	Very high	98.1	Very high	4 Å²	4	53.2 Å²	53.2	3%	0.033	25%	0.25	C	C	.	.			trans	-130.6	-176.7	-179	0	0	0	0	0	109.9	W37 C61 V62 E64 C158 T159 I160	W37-A66 HydrophobicContact CH2-CB 3.64Å; W37-A66 HydrophobicContact CZ2-CB 4.48Å; W37-A66 HydrophobicContact CZ3-CB 4.34Å; C61-A66 CarbonylContact C-O 3.54Å; C61-A66 VanDerWaalsContact C-O 3.23Å; C61-A66 HydrophobicContact CB-CB 4.33Å; C61-A66 CarbonylContact O-C 3.53Å; C61-A66 WeakPolarHBondContact O-CA 3.47Å; C61-A66 WeakPolarHBondContact O-CB 3.4Å; C61-A66 PolarHBondContact O-N 3.27Å; V62-A66 VanDerWaalsContact CA-O 3.25Å; V62-A66 WeakPolarHBondContact CA-O 3.43Å; V62-A66 PolarHBondContact N-O 3.22Å; E64-A66 HydrophobicContact CB-CB 4.49Å; E64-A66 PolarHBondContact O-N 3.49Å; A66-C158 HydrophobicContact CB-CB 4.09Å; A66-T159 WeakPolarHBondContact CA-O 3.47Å; A66-T159 VanDerWaalsContact CB-O 3.25Å; A66-T159 WeakPolarHBondContact CB-O 2.96Å; A66-I160 HydrophobicContact CB-CG1 3.83Å
67	N	98.7	Very high	98.1	Very high	42 Å²	42	49.1 Å²	49.1	23%	0.225	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	168.9	165.7	-64.3	100.4	0	0	0	108.9	E58 D111 C158 T159	E58-N67 PolarHBondContact OE1-ND2 3.47Å; N67-D111 HydrophobicContact CB-CB 3.62Å; N67-C158 CarbonylContact O-C 3.46Å; N67-C158 VanDerWaalsContact O-CA 3.23Å; N67-C158 WeakPolarHBondContact O-CA 3.42Å; N67-T159 PolarHBondContact N-O 2.83Å; N67-T159 VanDerWaalsContact N-O 3.09Å; N67-T159 PolarHBondContact O-N 3.29Å
68	L	98.8	Very high	98	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	147.1	162.4	-79.5	170.5	0	0	0	110.1	W54 A57 E58 S70 W95 F156	W54-L68 HydrophobicContact CD2-CD1 3.99Å; W54-L68 HydrophobicContact CG-CD1 4.22Å; W54-L68 HydrophobicContact CZ2-CD1 3.95Å; A57-L68 HydrophobicContact CB-CD1 4.24Å; A57-L68 HydrophobicContact CB-CD2 3.87Å; A57-L68 HydrophobicContact CB-CG 4.39Å; E58-L68 HydrophobicContact CB-CD1 3.92Å; E58-L68 HydrophobicContact CB-CG 4.24Å; E58-L68 WeakPolarHBondContact OE2-CB 3.02Å; E58-L68 WeakPolarHBondContact OE2-CG 3.14Å; E58-L68 PolarHBondContact OE2-N 2.75Å; L68-S70 PolarHBondContact O-N 2.92Å; L68-W95 HydrophobicContact CD2-CB 4.32Å; L68-F156 HydrophobicContact CD2-CB 3.71Å; L68-F156 HydrophobicContact CD2-CD2 4.18Å; L68-F156 HydrophobicContact CD2-CG 4.32Å
69	V	98.8	Very high	98	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-63.3	124.9	-170.6	66.2	0	0	0	0	112.1	Y45 I71 V80 I96 G97 W109 V157 T159	Y45-V69 HydrophobicContact CD1-CG2 3.81Å; Y45-V69 HydrophobicContact CE1-CG2 3.75Å; V69-I71 HydrophobicContact CG2-CG1 4.23Å; V69-V80 HydrophobicContact CG1-CG1 4.47Å; V69-V80 HydrophobicContact CG2-CG2 3.97Å; V69-I96 HydrophobicContact CG1-CB 4.03Å; V69-I96 HydrophobicContact CG1-CG2 3.72Å; V69-G97 PolarHBondContact O-N 3.2Å; V69-W109 WeakPolarHBondContact O-CZ3 3.14Å; V69-V157 HydrophobicContact CB-CB 4.19Å; V69-V157 HydrophobicContact CB-CG1 3.92Å; V69-V157 HydrophobicContact CG1-CB 3.74Å; V69-V157 HydrophobicContact CG1-CG1 3.93Å; V69-V157 HydrophobicContact CG2-CG1 4.4Å; V69-V157 PolarHBondContact N-O 3.44Å; V69-T159 HydrophobicContact CB-CG2 4.33Å; V69-T159 HydrophobicContact CG2-CG2 4.28Å
70	S	98.6	Very high	97.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-88.5	141	161.1	54	0	0	0	0	110.2	R43 L68 H72 D111 S113	R43-S70 PolarHBondContact NH1-OG 2.95Å; R43-S70 PolarHBondContact NH2-OG 2.81Å; L68-S70 PolarHBondContact O-N 2.92Å; S70-H72 PolarHBondContact OG-NE2 3.38Å; S70-D111 VanDerWaalsContact CB-OD2 3.29Å; S70-D111 WeakPolarHBondContact CB-OD2 3.39Å; S70-D111 PolarHBondContact OG-OD2 2.79Å; S70-S113 WeakPolarHBondContact CB-OG 3.48Å
71	I	98.6	Very high	97.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.211	C	C	.	.			trans	-123.1	123.6	-178.1	-56.4	174.7	0	0	0	109.5	V69 E76 H77 V80 I96 W109 F117 W145	V69-I71 HydrophobicContact CG2-CG1 4.23Å; I71-E76 HydrophobicContact CG2-CB 4.19Å; I71-E76 HydrophobicContact CG2-CG 4.24Å; I71-H77 HydrophobicContact CG2-CB 3.84Å; I71-V80 HydrophobicContact CD1-CB 4.46Å; I71-V80 HydrophobicContact CD1-CG1 4.44Å; I71-V80 HydrophobicContact CD1-CG2 4.36Å; I71-V80 HydrophobicContact CG1-CG2 4.43Å; I71-I96 HydrophobicContact CD1-CG2 4.23Å; I71-W109 HydrophobicContact CB-CH2 4.09Å; I71-W109 HydrophobicContact CB-CZ2 4.27Å; I71-W109 HydrophobicContact CG1-CH2 4.4Å; I71-W109 VanDerWaalsContact O-CZ2 3.26Å; I71-W109 WeakPolarHBondContact O-CZ2 3.2Å; I71-F117 HydrophobicContact CG2-CD1 4.06Å; I71-F117 HydrophobicContact CG2-CE1 3.9Å; I71-W145 HydrophobicContact CB-CH2 4.24Å; I71-W145 HydrophobicContact CB-CZ2 3.82Å; I71-W145 HydrophobicContact CD1-CZ2 4.05Å; I71-W145 HydrophobicContact CG1-CZ2 4.49Å; I71-W145 HydrophobicContact CG2-CZ2 3.88Å
72	H	97.8	Very high	97.8	Very high	65 Å²	65	47.2 Å²	47.2	30%	0.301	22%	0.223	S	C	.	.			trans	-120.5	-2.6	-171	-56	-51.8	0	0	0	114.4	R43 S70 E76 W109 S113	R43-H72 PolarHBondContact NH1-CD2 3.34Å; R43-H72 PolarHBondContact NH1-NE2 2.98Å; S70-H72 PolarHBondContact OG-NE2 3.38Å; H72-E76 IonicContact CD2-OE2 3.87Å; H72-E76 IonicContact CG-OE2 3.22Å; H72-E76 PolarHBondContact N-OE2 3.41Å; H72-W109 AromaticContact CE1-NE1 3.91Å; H72-S113 VanDerWaalsContact CE1-CB 3.48Å; H72-S113 WeakPolarHBondContact CE1-CB 3.47Å; H72-S113 PolarHBondContact CE1-OG 3.04Å
73	S	98.3	Very high	97.8	Very high	32 Å²	32	43.6 Å²	43.6	22%	0.224	20%	0.201	C	C	.	.	S	Bend	trans	-154.8	163.2	178.3	69.8	0	0	0	0	112	N75 E76 H77 F117	S73-N75 VanDerWaalsContact C-N 3.27Å; S73-N75 PolarHBondContact O-N 3.44Å; S73-E76 PolarHBondContact O-N 3.06Å; S73-E76 WeakPolarHBondContact OG-CB 3.37Å; S73-E76 PolarHBondContact OG-N 2.93Å; S73-E76 VanDerWaalsContact OG-N 3.1Å; S73-H77 PolarHBondContact O-N 3.01Å; S73-F117 VanDerWaalsContact C-CZ 3.49Å
74	L	97.8	Very high	97.9	Very high	86 Å²	86	35.6 Å²	35.6	45%	0.45	17%	0.171	S	C	.	.	H	α-helix	trans	-60.3	-38.1	172.2	-179.2	60.9	0	0	0	111.9	H77 N78 F117	L74-H77 WeakPolarHBondContact O-CB 3.2Å; L74-H77 PolarHBondContact O-N 3.47Å; L74-N78 WeakPolarHBondContact O-CB 3.37Å; L74-N78 PolarHBondContact O-N 2.86Å; L74-N78 PolarHBondContact O-ND2 2.94Å; L74-F117 HydrophobicContact CB-CE2 4.42Å; L74-F117 HydrophobicContact CB-CZ 4.37Å
75	N	97.8	Very high	98	Very high	91 Å²	91	38 Å²	38	49%	0.487	18%	0.181	S	C	.	.	H	α-helix	trans	-67.4	-39.3	179.7	-65.9	-13.1	0	0	0	111.4	F40 S73 N78 F79	F40-N75 HydrophobicContact CZ-CB 3.86Å; F40-N75 WeakPolarHBondContact CZ-O 3Å; S73-N75 VanDerWaalsContact C-N 3.27Å; S73-N75 PolarHBondContact O-N 3.44Å; N75-N78 PolarHBondContact O-N 2.74Å; N75-F79 WeakPolarHBondContact O-CB 3.06Å; N75-F79 PolarHBondContact O-N 3.11Å
76	E	97.9	Very high	98	Very high	7 Å²	7	31.6 Å²	31.6	3%	0.033	16%	0.163	C	C	.	.	H	α-helix	trans	-66.5	-41.4	174.2	-172	171.3	-149	0	0	111.5	F40 R43 Y45 I71 H72 S73 N78 F79 V80	F40-E76 HydrophobicContact CD1-CB 4.48Å; F40-E76 HydrophobicContact CD1-CG 4.45Å; F40-E76 VanDerWaalsContact CE1-CA 3.47Å; F40-E76 HydrophobicContact CE1-CB 3.82Å; F40-E76 HydrophobicContact CE1-CG 4.27Å; R43-E76 IonicContact CZ-OE1 3.32Å; R43-E76 IonicContact NE-OE1 3.56Å; R43-E76 IonicContact NH1-OE1 3.68Å; R43-E76 PolarHBondContact NH1-OE1 2.77Å; Y45-E76 HydrophobicContact CE1-CG 4.31Å; Y45-E76 PolarHBondContact OH-OE1 3.32Å; I71-E76 HydrophobicContact CG2-CB 4.19Å; I71-E76 HydrophobicContact CG2-CG 4.24Å; H72-E76 IonicContact CD2-OE2 3.87Å; H72-E76 IonicContact CG-OE2 3.22Å; H72-E76 PolarHBondContact N-OE2 3.41Å; S73-E76 PolarHBondContact O-N 3.06Å; S73-E76 WeakPolarHBondContact OG-CB 3.37Å; S73-E76 PolarHBondContact OG-N 2.93Å; S73-E76 VanDerWaalsContact OG-N 3.1Å; E76-N78 PolarHBondContact O-N 3.14Å; E76-F79 PolarHBondContact O-N 2.99Å; E76-V80 WeakPolarHBondContact O-CG2 3.41Å; E76-V80 PolarHBondContact O-N 2.94Å
77	H	98.5	Very high	98	Very high	4 Å²	4	36 Å²	36	2%	0.019	18%	0.182	C	C	.	.	H	α-helix	trans	-57.6	-48.6	173.3	176.2	60.5	0	0	0	111.9	I71 S73 L74 F79 V80 N81 F117 F143 W145	I71-H77 HydrophobicContact CG2-CB 3.84Å; S73-H77 PolarHBondContact O-N 3.01Å; L74-H77 WeakPolarHBondContact O-CB 3.2Å; L74-H77 PolarHBondContact O-N 3.47Å; H77-F79 VanDerWaalsContact C-N 3.33Å; H77-F79 PolarHBondContact O-N 3.29Å; H77-V80 PolarHBondContact O-N 3.37Å; H77-N81 PolarHBondContact CE1-ND2 2.86Å; H77-N81 PolarHBondContact NE2-ND2 2.04Å; H77-N81 PolarHBondContact O-N 2.83Å; H77-F117 HydrophobicContact CB-CE1 4.34Å; H77-F143 PolarHBondContact CE1-O 3.49Å; H77-F143 VanDerWaalsContact CE1-O 3.31Å; H77-W145 AromaticContact CE1-CD1 3.93Å; H77-W145 AromaticContact CE1-NE1 3.52Å; H77-W145 AromaticContact ND1-NE1 3.27Å; H77-W145 PolarHBondContact ND1-NE1 2.92Å
78	N	97.6	Very high	97.9	Very high	67 Å²	67	34.9 Å²	34.9	36%	0.358	18%	0.176	S	C	.	.	H	α-helix	trans	-62.9	-40.3	178.6	-69	-17.2	0	0	0	111.7	L26 L74 N75 E76 N81 L82	L26-N78 HydrophobicContact CD1-CB 4.07Å; L74-N78 WeakPolarHBondContact O-CB 3.37Å; L74-N78 PolarHBondContact O-N 2.86Å; L74-N78 PolarHBondContact O-ND2 2.94Å; N75-N78 PolarHBondContact O-N 2.74Å; E76-N78 PolarHBondContact O-N 3.14Å; N78-N81 PolarHBondContact O-N 2.86Å; N78-L82 WeakPolarHBondContact O-CB 3.43Å; N78-L82 PolarHBondContact O-N 3.17Å
79	F	97.7	Very high	97.8	Very high	1 Å²	1	40 Å²	40	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-45.4	174.7	172	-94.4	0	0	0	112.1	L26 L28 F38 F40 Y45 N75 E76 H77 N81 L82 L83	L26-F79 HydrophobicContact CD2-CB 4.35Å; L26-F79 HydrophobicContact CD2-CD2 4.44Å; L28-F79 HydrophobicContact CD2-CD2 4.26Å; L28-F79 HydrophobicContact CD2-CE2 3.57Å; L28-F79 HydrophobicContact CD2-CZ 4.05Å; F38-F79 HydrophobicContact CB-CZ 4.02Å; F40-F79 HydrophobicContact CB-CD1 3.64Å; F40-F79 HydrophobicContact CB-CD2 3.68Å; F40-F79 HydrophobicContact CB-CE1 3.59Å; F40-F79 HydrophobicContact CB-CE2 3.61Å; F40-F79 HydrophobicContact CB-CG 3.69Å; F40-F79 HydrophobicContact CB-CZ 3.57Å; F40-F79 HydrophobicContact CD1-CB 4.15Å; F40-F79 HydrophobicContact CD1-CD1 4.11Å; F40-F79 HydrophobicContact CD1-CG 4.05Å; F40-F79 HydrophobicContact CD2-CB 3.72Å; F40-F79 HydrophobicContact CD2-CD1 4.3Å; F40-F79 AromaticContact CD2-CD2 3.47Å; F40-F79 HydrophobicContact CD2-CD2 3.47Å; F40-F79 VanDerWaalsContact CD2-CD2 3.47Å; F40-F79 HydrophobicContact CD2-CE2 4.17Å; F40-F79 AromaticContact CD2-CG 3.54Å; F40-F79 HydrophobicContact CD2-CG 3.54Å; F40-F79 HydrophobicContact CE1-CB 4.24Å; F40-F79 HydrophobicContact CE2-CB 3.81Å; F40-F79 HydrophobicContact CE2-CD2 4.3Å; F40-F79 HydrophobicContact CE2-CG 4.16Å; F40-F79 HydrophobicContact CG-CB 3.9Å; F40-F79 AromaticContact CG-CD1 3.76Å; F40-F79 HydrophobicContact CG-CD1 3.76Å; F40-F79 AromaticContact CG-CD2 3.71Å; F40-F79 HydrophobicContact CG-CD2 3.71Å; F40-F79 HydrophobicContact CG-CE1 4.24Å; F40-F79 HydrophobicContact CG-CE2 4.17Å; F40-F79 AromaticContact CG-CG 3.47Å; F40-F79 HydrophobicContact CG-CG 3.47Å; F40-F79 VanDerWaalsContact CG-CG 3.47Å; F40-F79 HydrophobicContact CG-CZ 4.42Å; F40-F79 HydrophobicContact CZ-CB 4.07Å; Y45-F79 HydrophobicContact CD1-CE1 4.16Å; Y45-F79 HydrophobicContact CD2-CD1 4.18Å; Y45-F79 AromaticContact CD2-CE1 3.37Å; Y45-F79 HydrophobicContact CD2-CE1 3.37Å; Y45-F79 HydrophobicContact CD2-CZ 4.04Å; Y45-F79 HydrophobicContact CE2-CD1 4.35Å; Y45-F79 AromaticContact CE2-CE1 3.93Å; Y45-F79 HydrophobicContact CE2-CE1 3.93Å; Y45-F79 HydrophobicContact CG-CD1 4.3Å; Y45-F79 AromaticContact CG-CE1 3.52Å; Y45-F79 HydrophobicContact CG-CE1 3.52Å; Y45-F79 HydrophobicContact CG-CZ 4.41Å; N75-F79 WeakPolarHBondContact O-CB 3.06Å; N75-F79 PolarHBondContact O-N 3.11Å; E76-F79 PolarHBondContact O-N 2.99Å; H77-F79 VanDerWaalsContact C-N 3.33Å; H77-F79 PolarHBondContact O-N 3.29Å; F79-N81 PolarHBondContact O-N 2.99Å; F79-L82 WeakPolarHBondContact O-CB 3.38Å; F79-L82 PolarHBondContact O-N 2.93Å; F79-L83 HydrophobicContact CE1-CD2 4.47Å; F79-L83 WeakPolarHBondContact O-CB 3.42Å; F79-L83 PolarHBondContact O-N 3.18Å
80	V	98.3	Very high	97.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.2	-45.2	176.5	170.9	0	0	0	0	110.9	Y45 V69 I71 E76 H77 L82 L83 I84 V157	Y45-V80 HydrophobicContact CD1-CG2 4.39Å; Y45-V80 HydrophobicContact CE1-CG2 4.47Å; V69-V80 HydrophobicContact CG1-CG1 4.47Å; V69-V80 HydrophobicContact CG2-CG2 3.97Å; I71-V80 HydrophobicContact CD1-CB 4.46Å; I71-V80 HydrophobicContact CD1-CG1 4.44Å; I71-V80 HydrophobicContact CD1-CG2 4.36Å; I71-V80 HydrophobicContact CG1-CG2 4.43Å; E76-V80 WeakPolarHBondContact O-CG2 3.41Å; E76-V80 PolarHBondContact O-N 2.94Å; H77-V80 PolarHBondContact O-N 3.37Å; V80-L82 VanDerWaalsContact C-N 3.27Å; V80-L82 PolarHBondContact O-N 2.81Å; V80-L83 WeakPolarHBondContact O-CB 3.4Å; V80-L83 PolarHBondContact O-N 3.49Å; V80-I84 HydrophobicContact CG1-CD1 3.86Å; V80-I84 VanDerWaalsContact O-CG1 3.3Å; V80-I84 WeakPolarHBondContact O-CG1 3.33Å; V80-I84 PolarHBondContact O-N 2.92Å; V80-V157 HydrophobicContact CG1-CG2 4.28Å
81	N	97.8	Very high	97.5	Very high	9 Å²	9	47.7 Å²	47.7	5%	0.048	25%	0.251	C	S	.	.	H	α-helix	trans	-64.9	-30	177.2	-78.6	0.5	0	0	0	113.3	H77 N78 F79 K85 R91 T137 N138 F143	H77-N81 PolarHBondContact CE1-ND2 2.86Å; H77-N81 PolarHBondContact NE2-ND2 2.04Å; H77-N81 PolarHBondContact O-N 2.83Å; N78-N81 PolarHBondContact O-N 2.86Å; F79-N81 PolarHBondContact O-N 2.99Å; N81-K85 WeakPolarHBondContact O-CB 3.37Å; N81-K85 PolarHBondContact O-N 3.27Å; N81-K85 VanDerWaalsContact O-N 3.16Å; N81-R91 PolarHBondContact O-NH2 2.98Å; N81-R91 VanDerWaalsContact O-NH2 3.08Å; N81-T137 PolarHBondContact OD1-OG1 2.93Å; N81-N138 PolarHBondContact OD1-OD1 3.3Å; N81-F143 WeakPolarHBondContact ND2-CB 3.25Å; N81-F143 PolarHBondContact ND2-O 2.88Å
82	L	97.1	Very high	97.4	Very high	49 Å²	49	49.9 Å²	49.9	26%	0.257	27%	0.266	S	S	.	.	H	α-helix	trans	-73.3	-45.8	172.4	176.7	69.4	0	0	0	111.3	L26 L28 N78 F79 V80 I84 K85 N86	L26-L82 HydrophobicContact CB-CD2 3.5Å; L26-L82 VanDerWaalsContact CB-CD2 3.5Å; L26-L82 WeakPolarHBondContact O-CD2 3.38Å; L28-L82 HydrophobicContact CD2-CD2 4.32Å; L28-L82 HydrophobicContact CG-CD2 4.36Å; N78-L82 WeakPolarHBondContact O-CB 3.43Å; N78-L82 PolarHBondContact O-N 3.17Å; F79-L82 WeakPolarHBondContact O-CB 3.38Å; F79-L82 PolarHBondContact O-N 2.93Å; V80-L82 VanDerWaalsContact C-N 3.27Å; V80-L82 PolarHBondContact O-N 2.81Å; L82-I84 VanDerWaalsContact C-N 3.27Å; L82-I84 PolarHBondContact O-N 2.87Å; L82-K85 WeakPolarHBondContact O-CB 3.43Å; L82-K85 PolarHBondContact O-N 3.43Å; L82-N86 PolarHBondContact O-N 2.96Å
83	L	97.9	Very high	97.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-55.7	-46.9	177.2	177.6	65.4	0	0	0	110.2	L28 F38 F79 V80 N86 F87 V157	L28-L83 HydrophobicContact CD1-CD1 4.22Å; L28-L83 HydrophobicContact CD2-CB 4.21Å; L28-L83 HydrophobicContact CD2-CD1 4.05Å; F38-L83 HydrophobicContact CB-CD1 4.2Å; F38-L83 HydrophobicContact CD2-CD1 3.52Å; F38-L83 HydrophobicContact CE2-CD1 4.09Å; F38-L83 HydrophobicContact CG-CD1 3.88Å; F79-L83 HydrophobicContact CE1-CD2 4.47Å; F79-L83 WeakPolarHBondContact O-CB 3.42Å; F79-L83 PolarHBondContact O-N 3.18Å; V80-L83 WeakPolarHBondContact O-CB 3.4Å; V80-L83 PolarHBondContact O-N 3.49Å; L83-N86 PolarHBondContact O-N 3.34Å; L83-F87 HydrophobicContact CD1-CD2 4.02Å; L83-F87 HydrophobicContact CD1-CE2 3.7Å; L83-F87 WeakPolarHBondContact O-CD2 3.35Å; L83-V157 HydrophobicContact CD2-CG1 4.13Å
84	I	98.2	Very high	97.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-51	176.6	-61.4	160.1	0	0	0	110.3	Y47 V80 L82 N86 F87 D88 T94 T137 N138 V157	Y47-I84 HydrophobicContact CD2-CB 4.48Å; Y47-I84 HydrophobicContact CD2-CG1 3.94Å; Y47-I84 HydrophobicContact CD2-CG2 4.39Å; Y47-I84 HydrophobicContact CE2-CG1 4.26Å; Y47-I84 HydrophobicContact CE2-CG2 3.98Å; V80-I84 HydrophobicContact CG1-CD1 3.86Å; V80-I84 VanDerWaalsContact O-CG1 3.3Å; V80-I84 WeakPolarHBondContact O-CG1 3.33Å; V80-I84 PolarHBondContact O-N 2.92Å; L82-I84 VanDerWaalsContact C-N 3.27Å; L82-I84 PolarHBondContact O-N 2.87Å; I84-N86 PolarHBondContact O-N 2.93Å; I84-N86 VanDerWaalsContact O-N 3.11Å; I84-F87 PolarHBondContact O-N 3.47Å; I84-D88 HydrophobicContact CG2-CB 4.4Å; I84-D88 PolarHBondContact O-N 2.93Å; I84-T94 HydrophobicContact CD1-CG2 3.74Å; I84-T94 HydrophobicContact CG1-CG2 4.17Å; I84-T137 HydrophobicContact CD1-CG2 3.75Å; I84-N138 WeakPolarHBondContact CD1-ND2 3.45Å; I84-N138 VanDerWaalsContact CG2-ND2 3.27Å; I84-N138 WeakPolarHBondContact CG2-ND2 3.4Å; I84-V157 HydrophobicContact CD1-CG2 4.09Å; I84-V157 HydrophobicContact CG1-CG2 3.8Å
85	K	97.5	Very high	97.6	Very high	112 Å²	112	46.3 Å²	46.3	49%	0.487	24%	0.239	S	C	.	.	H	α-helix	trans	-52.4	-38	178.7	-173.3	-176.1	172.7	-175.7	0	113.1	N81 L82 F87 D88 R91	N81-K85 WeakPolarHBondContact O-CB 3.37Å; N81-K85 PolarHBondContact O-N 3.27Å; N81-K85 VanDerWaalsContact O-N 3.16Å; L82-K85 WeakPolarHBondContact O-CB 3.43Å; L82-K85 PolarHBondContact O-N 3.43Å; K85-F87 VanDerWaalsContact C-N 3.3Å; K85-F87 PolarHBondContact O-N 3.22Å; K85-D88 WeakPolarHBondContact CA-O 3.27Å; K85-D88 CarbonylContact O-C 3.46Å; K85-R91 HydrophobicContact CB-CG 4.21Å; K85-R91 HydrophobicContact CG-CG 4.36Å
86	N	96.9	Very high	97.6	Very high	95 Å²	95	42 Å²	42	51%	0.508	22%	0.216	S	C	.	.	H	α-helix	trans	-65.8	-32.3	-178.6	-179.4	84.7	0	0	0	113	L28 L82 L83 I84	L28-N86 HydrophobicContact CD1-CB 3.48Å; L28-N86 VanDerWaalsContact CD1-CB 3.48Å; L28-N86 VanDerWaalsContact CD1-CG 3.43Å; L82-N86 PolarHBondContact O-N 2.96Å; L83-N86 PolarHBondContact O-N 3.34Å; I84-N86 PolarHBondContact O-N 2.93Å; I84-N86 VanDerWaalsContact O-N 3.11Å
87	F	97.3	Very high	97.7	Very high	96 Å²	96	41.6 Å²	41.6	42%	0.421	21%	0.214	S	C	.	.	H	α-helix	trans	-105.6	-22	-177.7	-70.7	-73.4	0	0	0	113.8	F38 Y47 L83 I84 K85	F38-F87 HydrophobicContact CD2-CE2 4.25Å; F38-F87 AromaticContact CE2-CE2 3.47Å; F38-F87 HydrophobicContact CE2-CE2 3.47Å; F38-F87 VanDerWaalsContact CE2-CE2 3.47Å; F38-F87 AromaticContact CE2-CZ 3.45Å; F38-F87 HydrophobicContact CE2-CZ 3.45Å; F38-F87 VanDerWaalsContact CE2-CZ 3.45Å; F38-F87 AromaticContact CZ-CE2 3.78Å; F38-F87 HydrophobicContact CZ-CE2 3.78Å; F38-F87 AromaticContact CZ-CZ 3.5Å; F38-F87 HydrophobicContact CZ-CZ 3.5Å; F38-F87 VanDerWaalsContact CZ-CZ 3.5Å; Y47-F87 HydrophobicContact CD1-CB 3.34Å; Y47-F87 HydrophobicContact CD1-CD2 4.39Å; Y47-F87 HydrophobicContact CD1-CG 4.06Å; Y47-F87 HydrophobicContact CE1-CB 3.72Å; Y47-F87 HydrophobicContact CG-CB 4.25Å; L83-F87 HydrophobicContact CD1-CD2 4.02Å; L83-F87 HydrophobicContact CD1-CE2 3.7Å; L83-F87 WeakPolarHBondContact O-CD2 3.35Å; I84-F87 PolarHBondContact O-N 3.47Å; K85-F87 VanDerWaalsContact C-N 3.3Å; K85-F87 PolarHBondContact O-N 3.22Å
88	D	97.7	Very high	97.7	Very high	19 Å²	19	41.4 Å²	41.4	10%	0.102	21%	0.213	C	C	.	.			trans	-134.4	93.1	172.6	178.6	11	0	0	0	109.3	Y47 I84 K85 T90 R91 S92	Y47-D88 HydrophobicContact CE1-CB 4.25Å; Y47-D88 WeakPolarHBondContact OH-CB 3.47Å; I84-D88 HydrophobicContact CG2-CB 4.4Å; I84-D88 PolarHBondContact O-N 2.93Å; K85-D88 WeakPolarHBondContact CA-O 3.27Å; K85-D88 CarbonylContact O-C 3.46Å; D88-T90 VanDerWaalsContact CG-OG1 3.32Å; D88-T90 PolarHBondContact O-N 3.35Å; D88-T90 VanDerWaalsContact O-N 3.14Å; D88-T90 WeakPolarHBondContact OD1-CB 3.32Å; D88-T90 PolarHBondContact OD1-N 2.96Å; D88-T90 PolarHBondContact OD1-OG1 3.39Å; D88-T90 PolarHBondContact OD2-OG1 2.83Å; D88-R91 PolarHBondContact O-N 3.11Å; D88-S92 WeakPolarHBondContact OD2-CB 3.36Å; D88-S92 PolarHBondContact OD2-N 3.22Å; D88-S92 PolarHBondContact OD2-OG 3.03Å
89	P	96.5	Very high	97.7	Very high	107 Å²	107	38.4 Å²	38.4	70%	0.695	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.7	176.9	-25.4	35.4	0	0	0	113.9	R91	P89-R91 VanDerWaalsContact C-N 3.25Å
90	T	95.6	Very high	97.7	Very high	111 Å²	111	38.4 Å²	38.4	68%	0.681	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-14.4	176.6	74.8	0	0	0	0	112.5	D88 S92	D88-T90 VanDerWaalsContact CG-OG1 3.32Å; D88-T90 PolarHBondContact O-N 3.35Å; D88-T90 VanDerWaalsContact O-N 3.14Å; D88-T90 WeakPolarHBondContact OD1-CB 3.32Å; D88-T90 PolarHBondContact OD1-N 2.96Å; D88-T90 PolarHBondContact OD1-OG1 3.39Å; D88-T90 PolarHBondContact OD2-OG1 2.83Å; T90-S92 PolarHBondContact O-N 3.23Å; T90-S92 PolarHBondContact OG1-OG 3.31Å
91	R	95	Very high	97.7	Very high	51 Å²	51	43.3 Å²	43.3	19%	0.192	22%	0.222	C	C	.	.			trans	52.2	53.2	-179.9	-61	179.4	124.9	170.8	1.3	111.8	N81 K85 D88 P89 N138 F143	N81-R91 PolarHBondContact O-NH2 2.98Å; N81-R91 VanDerWaalsContact O-NH2 3.08Å; K85-R91 HydrophobicContact CB-CG 4.21Å; K85-R91 HydrophobicContact CG-CG 4.36Å; D88-R91 PolarHBondContact O-N 3.11Å; P89-R91 VanDerWaalsContact C-N 3.25Å; R91-N138 WeakPolarHBondContact O-CB 3.49Å; R91-F143 HydrophobicContact CB-CD1 4.3Å; R91-F143 HydrophobicContact CB-CE1 4.13Å; R91-F143 HydrophobicContact CG-CE1 4.49Å
92	S	97	Very high	97.5	Very high	45 Å²	45	50.4 Å²	50.4	32%	0.315	26%	0.255	S	S	.	.			trans	-56.3	155.5	176.4	-57.1	0	0	0	0	111.3	D88 T90 T94 N138	D88-S92 WeakPolarHBondContact OD2-CB 3.36Å; D88-S92 PolarHBondContact OD2-N 3.22Å; D88-S92 PolarHBondContact OD2-OG 3.03Å; T90-S92 PolarHBondContact O-N 3.23Å; T90-S92 PolarHBondContact OG1-OG 3.31Å; S92-T94 PolarHBondContact O-N 2.94Å; S92-T94 PolarHBondContact O-OG1 3.26Å; S92-N138 PolarHBondContact O-ND2 3.03Å; S92-N138 VanDerWaalsContact O-ND2 3.13Å
93	W	98.7	Very high	97.5	Very high	108 Å²	108	55.6 Å²	55.6	41%	0.409	28%	0.275	S	S	.	.			trans	-52.1	134.6	169.9	-61.6	-15	0	0	0	110.2	H136 N138 F139 F154	W93-H136 AromaticContact CD1-CE1 3.9Å; W93-H136 AromaticContact CD2-CE1 3.76Å; W93-H136 AromaticContact CG-CE1 3.62Å; W93-H136 AromaticContact CG-ND1 3.78Å; W93-N138 VanDerWaalsContact CD1-O 3.32Å; W93-F139 HydrophobicContact CZ2-CD2 4.12Å; W93-F139 HydrophobicContact CZ2-CE2 4.19Å; W93-F139 AromaticContact NE1-CD2 3.99Å; W93-F154 HydrophobicContact CB-CD1 4.19Å; W93-F154 HydrophobicContact CB-CD2 4.25Å; W93-F154 HydrophobicContact CB-CE1 4.45Å; W93-F154 HydrophobicContact CB-CE2 4.48Å; W93-F154 HydrophobicContact CB-CG 4.16Å; W93-F154 HydrophobicContact CE3-CD1 4.47Å; W93-F154 AromaticContact CE3-CE1 3.66Å; W93-F154 HydrophobicContact CE3-CE1 3.66Å; W93-F154 HydrophobicContact CE3-CE2 4.17Å; W93-F154 AromaticContact CE3-CZ 3.5Å; W93-F154 HydrophobicContact CE3-CZ 3.5Å; W93-F154 HydrophobicContact CZ3-CE1 4.36Å; W93-F154 HydrophobicContact CZ3-CZ 4.08Å; W93-F154 WeakPolarHBondContact O-CB 3.12Å
94	T	98.9	Very high	97.5	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	120.9	-168.2	-63.3	0	0	0	0	109.4	Y47 I84 S92 H136 T137 A155 V157	Y47-T94 HydrophobicContact CD2-CG2 4.42Å; Y47-T94 HydrophobicContact CE2-CG2 4.2Å; I84-T94 HydrophobicContact CD1-CG2 3.74Å; I84-T94 HydrophobicContact CG1-CG2 4.17Å; S92-T94 PolarHBondContact O-N 2.94Å; S92-T94 PolarHBondContact O-OG1 3.26Å; T94-H136 CarbonylContact O-C 3.46Å; T94-H136 VanDerWaalsContact O-CA 3.27Å; T94-H136 WeakPolarHBondContact O-CA 3.29Å; T94-H136 VanDerWaalsContact O-CB 3.28Å; T94-H136 WeakPolarHBondContact O-CB 3.32Å; T94-T137 PolarHBondContact N-O 3.29Å; T94-T137 PolarHBondContact O-N 3.08Å; T94-A155 CarbonylContact C-O 3.49Å; T94-A155 VanDerWaalsContact CA-O 3.3Å; T94-A155 WeakPolarHBondContact CA-O 3.4Å; T94-V157 HydrophobicContact CG2-CG2 3.89Å
95	W	98.9	Very high	97.4	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	138.7	178	-66.7	133.1	0	0	0	111.7	V52 W54 L68 C134 H136 N148 N152 F154 A155 F156 V157	V52-W95 PolarHBondContact O-NE1 2.87Å; W54-W95 HydrophobicContact CB-CD2 4.2Å; W54-W95 HydrophobicContact CB-CZ2 4.44Å; W54-W95 AromaticContact CD1-CD2 3.96Å; W54-W95 AromaticContact CD1-CE3 3.86Å; L68-W95 HydrophobicContact CD2-CB 4.32Å; W95-C134 HydrophobicContact CE3-CB 4.41Å; W95-C134 HydrophobicContact CH2-CB 4.26Å; W95-C134 HydrophobicContact CZ3-CB 3.9Å; W95-C134 WeakPolarHBondContact CZ3-O 3.49Å; W95-H136 HydrophobicContact CE3-CB 3.69Å; W95-H136 HydrophobicContact CZ3-CB 3.98Å; W95-N148 HydrophobicContact CH2-CB 3.89Å; W95-N148 HydrophobicContact CZ3-CB 4.04Å; W95-N152 HydrophobicContact CZ2-CB 4.21Å; W95-N152 WeakPolarHBondContact CZ2-O 3.47Å; W95-F154 HydrophobicContact CD2-CB 4.13Å; W95-F154 AromaticContact CD2-CD2 3.61Å; W95-F154 HydrophobicContact CD2-CD2 3.61Å; W95-F154 HydrophobicContact CD2-CE2 4.48Å; W95-F154 HydrophobicContact CD2-CG 4.33Å; W95-F154 AromaticContact CE2-CD2 3.3Å; W95-F154 AromaticContact CE2-CG 3.88Å; W95-F154 AromaticContact CE3-CD2 3.78Å; W95-F154 HydrophobicContact CE3-CD2 3.78Å; W95-F154 HydrophobicContact CE3-CE2 4.34Å; W95-F154 HydrophobicContact CG-CB 4.09Å; W95-F154 HydrophobicContact CG-CD2 4.42Å; W95-F154 AromaticContact CH2-CD2 3.42Å; W95-F154 HydrophobicContact CH2-CD2 3.42Å; W95-F154 VanDerWaalsContact CH2-CD2 3.42Å; W95-F154 AromaticContact CH2-CE2 3.3Å; W95-F154 HydrophobicContact CH2-CE2 3.3Å; W95-F154 HydrophobicContact CH2-CZ 4.4Å; W95-F154 HydrophobicContact CZ2-CB 4.49Å; W95-F154 AromaticContact CZ2-CD2 3.22Å; W95-F154 HydrophobicContact CZ2-CD2 3.22Å; W95-F154 AromaticContact CZ2-CE2 3.47Å; W95-F154 HydrophobicContact CZ2-CE2 3.47Å; W95-F154 VanDerWaalsContact CZ2-CE2 3.47Å; W95-F154 HydrophobicContact CZ2-CG 4.03Å; W95-F154 HydrophobicContact CZ2-CZ 4.43Å; W95-F154 AromaticContact CZ3-CD2 3.68Å; W95-F154 HydrophobicContact CZ3-CD2 3.68Å; W95-F154 AromaticContact CZ3-CE2 3.77Å; W95-F154 HydrophobicContact CZ3-CE2 3.77Å; W95-F154 AromaticContact NE1-CD2 3.97Å; W95-A155 PolarHBondContact N-O 3.32Å; W95-F156 HydrophobicContact CB-CB 3.99Å; W95-V157 PolarHBondContact O-N 2.97Å
96	I	98.9	Very high	97.4	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	168.2	167.6	61.6	174.4	0	0	0	108.5	W54 V69 I71 L98 W109 G135 T137 W145	W54-I96 PolarHBondContact NE1-O 3.24Å; V69-I96 HydrophobicContact CG1-CB 4.03Å; V69-I96 HydrophobicContact CG1-CG2 3.72Å; I71-I96 HydrophobicContact CD1-CG2 4.23Å; I96-L98 HydrophobicContact CD1-CB 4.16Å; I96-L98 HydrophobicContact CG1-CB 4.14Å; I96-L98 PolarHBondContact O-N 2.9Å; I96-W109 HydrophobicContact CB-CZ3 4.31Å; I96-W109 HydrophobicContact CD1-CH2 3.98Å; I96-W109 HydrophobicContact CD1-CZ3 4.05Å; I96-W109 HydrophobicContact CG1-CZ3 4.23Å; I96-G135 VanDerWaalsContact CG1-O 3.27Å; I96-G135 WeakPolarHBondContact CG1-O 3.3Å; I96-G135 PolarHBondContact N-O 2.76Å; I96-G135 VanDerWaalsContact N-O 3.12Å; I96-T137 HydrophobicContact CG2-CG2 4.01Å; I96-W145 HydrophobicContact CD1-CD2 4Å; I96-W145 HydrophobicContact CD1-CE3 4.36Å; I96-W145 HydrophobicContact CD1-CG 4.16Å
97	G	98.8	Very high	97.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	12.4	-172.6	0	0	0	0	0	115.2	V69 W109 S110	V69-G97 PolarHBondContact O-N 3.2Å; G97-W109 VanDerWaalsContact C-CE3 3.46Å; G97-W109 CarbonylContact O-C 3.05Å; G97-W109 WeakPolarHBondContact O-CA 3.41Å; G97-S110 PolarHBondContact O-N 2.87Å
98	L	98.6	Very high	97.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	132.2	-173.7	-154.9	68.7	0	0	0	110.1	I96 W107 I108 W109 Y115 W120 G135 W145	I96-L98 HydrophobicContact CD1-CB 4.16Å; I96-L98 HydrophobicContact CG1-CB 4.14Å; I96-L98 PolarHBondContact O-N 2.9Å; L98-W107 HydrophobicContact CB-CE3 4.32Å; L98-W107 HydrophobicContact CB-CZ3 4.47Å; L98-W107 HydrophobicContact CD1-CB 4.47Å; L98-W107 HydrophobicContact CD2-CD2 4.3Å; L98-W107 HydrophobicContact CD2-CE3 3.85Å; L98-W107 HydrophobicContact CD2-CZ3 4.35Å; L98-W107 HydrophobicContact CG-CB 4.49Å; L98-W107 HydrophobicContact CG-CD2 4.35Å; L98-W107 HydrophobicContact CG-CE3 3.59Å; L98-W107 HydrophobicContact CG-CZ3 4.17Å; L98-I108 WeakPolarHBondContact CA-O 3.46Å; L98-W109 HydrophobicContact CB-CE3 3.82Å; L98-W109 HydrophobicContact CB-CH2 4.02Å; L98-W109 HydrophobicContact CB-CZ3 3.51Å; L98-W109 HydrophobicContact CD1-CD2 3.51Å; L98-W109 HydrophobicContact CD1-CE3 3.64Å; L98-W109 HydrophobicContact CD1-CG 4.16Å; L98-W109 HydrophobicContact CD1-CH2 3.81Å; L98-W109 HydrophobicContact CD1-CZ2 3.7Å; L98-W109 HydrophobicContact CD1-CZ3 3.79Å; L98-W109 HydrophobicContact CD2-CH2 4.45Å; L98-W109 HydrophobicContact CG-CE3 4.31Å; L98-W109 HydrophobicContact CG-CH2 4.29Å; L98-W109 HydrophobicContact CG-CZ3 4.15Å; L98-Y115 HydrophobicContact CD1-CD2 3.53Å; L98-Y115 HydrophobicContact CD1-CE2 3.69Å; L98-Y115 HydrophobicContact CD1-CG 4.34Å; L98-Y115 HydrophobicContact CD2-CE2 3.99Å; L98-Y115 HydrophobicContact CG-CE2 4.49Å; L98-W120 HydrophobicContact CD2-CH2 3.6Å; L98-W120 HydrophobicContact CD2-CZ2 3.32Å; L98-G135 PolarHBondContact O-N 3.3Å; L98-W145 HydrophobicContact CD2-CE3 4.02Å; L98-W145 HydrophobicContact CD2-CZ3 4.03Å
99	T	98.7	Very high	97.5	Very high	4 Å²	4	53.8 Å²	53.8	3%	0.025	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	151	177.2	-177.5	0	0	0	0	111	W54 I101 W107 I108 N133	W54-T99 HydrophobicContact CH2-CG2 3.79Å; W54-T99 HydrophobicContact CZ2-CG2 3.9Å; T99-I101 HydrophobicContact CG2-CG2 4.38Å; T99-I101 WeakPolarHBondContact OG1-CB 3.37Å; T99-I101 WeakPolarHBondContact OG1-CG2 3.4Å; T99-I101 PolarHBondContact OG1-N 3.32Å; T99-W107 VanDerWaalsContact C-CE3 3.46Å; T99-I108 HydrophobicContact CG2-CG1 4.11Å; T99-I108 PolarHBondContact N-O 3.42Å; T99-I108 WeakPolarHBondContact O-CG1 3.37Å; T99-I108 PolarHBondContact O-N 3.05Å; T99-N133 VanDerWaalsContact CA-O 3.25Å; T99-N133 WeakPolarHBondContact CA-O 3.49Å; T99-N133 WeakPolarHBondContact CB-O 3.33Å; T99-N133 PolarHBondContact OG1-O 3.34Å
100	D	98.4	Very high	97.6	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	27%	0.269	C	S	.	.			trans	-125.2	20.2	170.2	68.6	-21.4	0	0	0	112.1	H102 K103 G105 W107 N133	D100-H102 PolarHBondContact O-N 3.38Å; D100-K103 CarbonylContact O-C 3.56Å; D100-K103 PolarHBondContact O-N 2.77Å; D100-K103 VanDerWaalsContact O-O 3.11Å; D100-G105 PolarHBondContact OD2-N 2.71Å; D100-W107 HydrophobicContact CB-CD2 3.81Å; D100-W107 HydrophobicContact CB-CE3 4.01Å; D100-W107 HydrophobicContact CB-CG 4.05Å; D100-N133 PolarHBondContact N-O 2.99Å; D100-N133 WeakPolarHBondContact OD1-CA 3.46Å
101	I	96.7	Very high	97.7	Very high	103 Å²	103	46 Å²	46	53%	0.528	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-23.4	-179.5	-163.9	169.2	0	0	0	114.6	T99 N133	T99-I101 HydrophobicContact CG2-CG2 4.38Å; T99-I101 WeakPolarHBondContact OG1-CB 3.37Å; T99-I101 WeakPolarHBondContact OG1-CG2 3.4Å; T99-I101 PolarHBondContact OG1-N 3.32Å; I101-N133 HydrophobicContact CB-CB 4.2Å
102	H	95	Very high	97.8	Very high	157 Å²	157	46.9 Å²	46.9	73%	0.727	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-29.9	177.6	-64	-58.1	0	0	0	113.5	D100	D100-H102 PolarHBondContact O-N 3.38Å
103	K	96.4	Very high	97.8	Very high	158 Å²	158	45.3 Å²	45.3	69%	0.687	26%	0.255	S	S	*	.	S	Bend	trans	-164	112.8	-179.1	-179.6	-177.4	177.3	-177.1	0	108.6	D100 G105 G106	D100-K103 CarbonylContact O-C 3.56Å; D100-K103 PolarHBondContact O-N 2.77Å; D100-K103 VanDerWaalsContact O-O 3.11Å; K103-G105 PolarHBondContact O-N 2.83Å; K103-G106 WeakPolarHBondContact O-CA 3.48Å; K103-G106 PolarHBondContact O-N 3.23Å
104	E	97.4	Very high	97.7	Very high	100 Å²	100	47 Å²	47	47%	0.467	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42	128.4	173.3	-179	57.7	-148.8	0	0	113	G106 N127	E104-G106 PolarHBondContact O-N 3.23Å; E104-G106 VanDerWaalsContact O-N 3.17Å; E104-N127 WeakPolarHBondContact OE1-CB 3.47Å; E104-N127 PolarHBondContact OE1-ND2 3.16Å; E104-N127 PolarHBondContact OE2-ND2 3.23Å
105	G	96	Very high	97.6	Very high	54 Å²	54	50.7 Å²	50.7	56%	0.557	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	-6.7	-176.6	0	0	0	0	0	114.6	D100 K103 W107	D100-G105 PolarHBondContact OD2-N 2.71Å; K103-G105 PolarHBondContact O-N 2.83Å; G105-W107 PolarHBondContact O-N 2.83Å
106	G	97.5	Very high	97.5	Very high	31 Å²	31	60.4 Å²	60.4	32%	0.32	32%	0.316	S	S	.	.			trans	-91.1	57.1	177.4	0	0	0	0	0	112.8	K103 E104 I108	K103-G106 WeakPolarHBondContact O-CA 3.48Å; K103-G106 PolarHBondContact O-N 3.23Å; E104-G106 PolarHBondContact O-N 3.23Å; E104-G106 VanDerWaalsContact O-N 3.17Å; G106-I108 PolarHBondContact O-N 2.03Å
107	W	98.4	Very high	97.5	Very high	20 Å²	20	62.5 Å²	62.5	8%	0.076	33%	0.325	C	S	.	.			trans	-59.7	131.1	-176.1	-68.6	91.8	0	0	0	113.9	L98 T99 D100 G105 Y115 W120 P125 D147	L98-W107 HydrophobicContact CB-CE3 4.32Å; L98-W107 HydrophobicContact CB-CZ3 4.47Å; L98-W107 HydrophobicContact CD1-CB 4.47Å; L98-W107 HydrophobicContact CD2-CD2 4.3Å; L98-W107 HydrophobicContact CD2-CE3 3.85Å; L98-W107 HydrophobicContact CD2-CZ3 4.35Å; L98-W107 HydrophobicContact CG-CB 4.49Å; L98-W107 HydrophobicContact CG-CD2 4.35Å; L98-W107 HydrophobicContact CG-CE3 3.59Å; L98-W107 HydrophobicContact CG-CZ3 4.17Å; T99-W107 VanDerWaalsContact C-CE3 3.46Å; D100-W107 HydrophobicContact CB-CD2 3.81Å; D100-W107 HydrophobicContact CB-CE3 4.01Å; D100-W107 HydrophobicContact CB-CG 4.05Å; G105-W107 PolarHBondContact O-N 2.83Å; W107-Y115 HydrophobicContact CB-CD1 4.01Å; W107-Y115 HydrophobicContact CB-CE1 3.74Å; W107-Y115 WeakPolarHBondContact O-CD1 3.44Å; W107-W120 HydrophobicContact CD2-CH2 4.03Å; W107-W120 AromaticContact CD2-CZ2 3.7Å; W107-W120 HydrophobicContact CD2-CZ2 3.7Å; W107-W120 AromaticContact CE2-CH2 3.81Å; W107-W120 AromaticContact CE2-CZ2 3.64Å; W107-W120 HydrophobicContact CE3-CH2 4.05Å; W107-W120 HydrophobicContact CE3-CZ2 4.09Å; W107-W120 HydrophobicContact CG-CZ2 4.18Å; W107-W120 AromaticContact CH2-CH2 3.59Å; W107-W120 HydrophobicContact CH2-CH2 3.59Å; W107-W120 HydrophobicContact CH2-CZ2 4.25Å; W107-W120 AromaticContact CZ2-CH2 3.61Å; W107-W120 HydrophobicContact CZ2-CH2 3.61Å; W107-W120 AromaticContact CZ2-CZ2 3.94Å; W107-W120 HydrophobicContact CZ2-CZ2 3.94Å; W107-W120 AromaticContact CZ3-CH2 3.81Å; W107-W120 HydrophobicContact CZ3-CH2 3.81Å; W107-W120 HydrophobicContact CZ3-CZ2 4.31Å; W107-P125 HydrophobicContact CZ2-CB 3.67Å; W107-P125 HydrophobicContact CZ2-CG 3.96Å; W107-D147 HydrophobicContact CH2-CB 3.46Å; W107-D147 VanDerWaalsContact CH2-CB 3.46Å; W107-D147 HydrophobicContact CZ2-CB 3.7Å
108	I	98.4	Very high	97.4	Very high	75 Å²	75	65.3 Å²	65.3	39%	0.385	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	160.1	176.7	62.3	165.5	0	0	0	111	L98 T99 G106	L98-I108 WeakPolarHBondContact CA-O 3.46Å; T99-I108 HydrophobicContact CG2-CG1 4.11Å; T99-I108 PolarHBondContact N-O 3.42Å; T99-I108 WeakPolarHBondContact O-CG1 3.37Å; T99-I108 PolarHBondContact O-N 3.05Å; G106-I108 PolarHBondContact O-N 2.03Å
109	W	98.6	Very high	97.4	Very high	5 Å²	5	69.9 Å²	69.9	2%	0.019	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	137.9	169	-65.1	112.9	0	0	0	110.7	V69 I71 H72 I96 G97 L98 D111 G112 S113 Y115 W145	V69-W109 WeakPolarHBondContact O-CZ3 3.14Å; I71-W109 HydrophobicContact CB-CH2 4.09Å; I71-W109 HydrophobicContact CB-CZ2 4.27Å; I71-W109 HydrophobicContact CG1-CH2 4.4Å; I71-W109 VanDerWaalsContact O-CZ2 3.26Å; I71-W109 WeakPolarHBondContact O-CZ2 3.2Å; H72-W109 AromaticContact CE1-NE1 3.91Å; I96-W109 HydrophobicContact CB-CZ3 4.31Å; I96-W109 HydrophobicContact CD1-CH2 3.98Å; I96-W109 HydrophobicContact CD1-CZ3 4.05Å; I96-W109 HydrophobicContact CG1-CZ3 4.23Å; G97-W109 VanDerWaalsContact C-CE3 3.46Å; G97-W109 CarbonylContact O-C 3.05Å; G97-W109 WeakPolarHBondContact O-CA 3.41Å; L98-W109 HydrophobicContact CB-CE3 3.82Å; L98-W109 HydrophobicContact CB-CH2 4.02Å; L98-W109 HydrophobicContact CB-CZ3 3.51Å; L98-W109 HydrophobicContact CD1-CD2 3.51Å; L98-W109 HydrophobicContact CD1-CE3 3.64Å; L98-W109 HydrophobicContact CD1-CG 4.16Å; L98-W109 HydrophobicContact CD1-CH2 3.81Å; L98-W109 HydrophobicContact CD1-CZ2 3.7Å; L98-W109 HydrophobicContact CD1-CZ3 3.79Å; L98-W109 HydrophobicContact CD2-CH2 4.45Å; L98-W109 HydrophobicContact CG-CE3 4.31Å; L98-W109 HydrophobicContact CG-CH2 4.29Å; L98-W109 HydrophobicContact CG-CZ3 4.15Å; W109-D111 WeakPolarHBondContact CB-OD1 3Å; W109-D111 PolarHBondContact O-N 2.85Å; W109-G112 PolarHBondContact O-N 2.89Å; W109-S113 WeakPolarHBondContact CB-OG 3.47Å; W109-Y115 HydrophobicContact CZ2-CD2 4.4Å; W109-Y115 AromaticContact NE1-CD2 3.78Å; W109-W145 AromaticContact CH2-CH2 3.95Å; W109-W145 HydrophobicContact CH2-CH2 3.95Å; W109-W145 HydrophobicContact CH2-CZ2 4.48Å; W109-W145 HydrophobicContact CH2-CZ3 4.17Å; W109-W145 AromaticContact CZ2-CH2 3.88Å; W109-W145 HydrophobicContact CZ2-CH2 3.88Å; W109-W145 HydrophobicContact CZ2-CZ3 4.18Å
110	S	98.1	Very high	97.4	Very high	36 Å²	36	71.2 Å²	71.2	25%	0.252	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-27.3	178.7	62.9	0	0	0	0	113.3	E58 G97 G112	E58-S110 WeakPolarHBondContact OE2-CB 3.36Å; E58-S110 PolarHBondContact OE2-OG 3.09Å; G97-S110 PolarHBondContact O-N 2.87Å; S110-G112 PolarHBondContact O-N 3.12Å
111	D	96.9	Very high	97.4	Very high	19 Å²	19	72.7 Å²	72.7	10%	0.102	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	4.6	176.7	79.9	-17.2	0	0	0	114.2	R43 N67 S70 W109 S113 R161	R43-D111 IonicContact NH2-OD2 3.75Å; N67-D111 HydrophobicContact CB-CB 3.62Å; S70-D111 VanDerWaalsContact CB-OD2 3.29Å; S70-D111 WeakPolarHBondContact CB-OD2 3.39Å; S70-D111 PolarHBondContact OG-OD2 2.79Å; W109-D111 WeakPolarHBondContact CB-OD1 3Å; W109-D111 PolarHBondContact O-N 2.85Å; D111-S113 PolarHBondContact O-N 3.42Å; D111-S113 WeakPolarHBondContact OD1-CB 3.09Å; D111-S113 PolarHBondContact OD1-N 3.34Å; D111-S113 PolarHBondContact OD1-OG 2.81Å; D111-R161 PolarHBondContact O-NH1 3.15Å; D111-R161 IonicContact OD1-NH1 3.71Å; D111-R161 WeakPolarHBondContact OD2-CD 3.35Å; D111-R161 IonicContact OD2-CZ 3.21Å; D111-R161 IonicContact OD2-NE 3.87Å; D111-R161 PolarHBondContact OD2-NE 2.88Å; D111-R161 IonicContact OD2-NH1 3.27Å; D111-R161 PolarHBondContact OD2-NH1 3.45Å; D111-R161 IonicContact OD2-NH2 3.83Å
112	G	96.6	Very high	97.4	Very high	68 Å²	68	73.3 Å²	73.3	70%	0.701	39%	0.388	S	S	*	.			trans	71.8	7	-179.6	0	0	0	0	0	115	W109 S110	W109-G112 PolarHBondContact O-N 2.89Å; S110-G112 PolarHBondContact O-N 3.12Å
113	S	96.9	Very high	97.5	Very high	13 Å²	13	68.7 Å²	68.7	9%	0.091	38%	0.383	C	S	.	.			trans	-66.7	157.8	174.9	66.1	0	0	0	0	113	S70 H72 W109 D111 Y115	S70-S113 WeakPolarHBondContact CB-OG 3.48Å; H72-S113 VanDerWaalsContact CE1-CB 3.48Å; H72-S113 WeakPolarHBondContact CE1-CB 3.47Å; H72-S113 PolarHBondContact CE1-OG 3.04Å; W109-S113 WeakPolarHBondContact CB-OG 3.47Å; D111-S113 PolarHBondContact O-N 3.42Å; D111-S113 WeakPolarHBondContact OD1-CB 3.09Å; D111-S113 PolarHBondContact OD1-N 3.34Å; D111-S113 PolarHBondContact OD1-OG 2.81Å; S113-Y115 PolarHBondContact O-N 2.86Å
114	K	96.6	Very high	97.5	Very high	144 Å²	144	62.6 Å²	62.6	63%	0.626	36%	0.357	S	S	*	.			trans	-71.8	126.2	177.5	-63.7	-176.3	-178.7	177.8	0	110.4	R116	K114-R116 HydrophobicContact CB-CG 4.14Å; K114-R116 PolarHBondContact O-N 2.86Å
115	Y	97.3	Very high	97.5	Very high	76 Å²	76	60.2 Å²	60.2	30%	0.298	35%	0.35	S	S	.	.			trans	-77.8	100.8	169.8	179.8	-119.3	0	0	0	110.2	L98 W107 W109 S113 F117 S118 W120 W145	L98-Y115 HydrophobicContact CD1-CD2 3.53Å; L98-Y115 HydrophobicContact CD1-CE2 3.69Å; L98-Y115 HydrophobicContact CD1-CG 4.34Å; L98-Y115 HydrophobicContact CD2-CE2 3.99Å; L98-Y115 HydrophobicContact CG-CE2 4.49Å; W107-Y115 HydrophobicContact CB-CD1 4.01Å; W107-Y115 HydrophobicContact CB-CE1 3.74Å; W107-Y115 WeakPolarHBondContact O-CD1 3.44Å; W109-Y115 HydrophobicContact CZ2-CD2 4.4Å; W109-Y115 AromaticContact NE1-CD2 3.78Å; S113-Y115 PolarHBondContact O-N 2.86Å; Y115-F117 WeakPolarHBondContact CE2-O 3.47Å; Y115-S118 WeakPolarHBondContact OH-CB 3.28Å; Y115-W120 PolarHBondContact OH-NE1 3.27Å; Y115-W145 HydrophobicContact CE2-CZ3 4.29Å
116	R	97.1	Very high	97.6	Very high	205 Å²	205	61.4 Å²	61.4	77%	0.774	34%	0.344	S	S	*	.			trans	-132.2	-8.4	-177.3	-70.3	-177.3	170.7	-176.7	-7.5	114.3	K114	K114-R116 HydrophobicContact CB-CG 4.14Å; K114-R116 PolarHBondContact O-N 2.86Å
117	F	98.2	Very high	97.6	Very high	43 Å²	43	61.2 Å²	61.2	19%	0.189	34%	0.336	C	S	.	.			trans	-129.5	135.9	-179.2	173.3	-97	0	0	0	107.1	I71 S73 L74 H77 Y115 R119 W145	I71-F117 HydrophobicContact CG2-CD1 4.06Å; I71-F117 HydrophobicContact CG2-CE1 3.9Å; S73-F117 VanDerWaalsContact C-CZ 3.49Å; L74-F117 HydrophobicContact CB-CE2 4.42Å; L74-F117 HydrophobicContact CB-CZ 4.37Å; H77-F117 HydrophobicContact CB-CE1 4.34Å; Y115-F117 WeakPolarHBondContact CE2-O 3.47Å; F117-R119 HydrophobicContact CE1-CB 4.14Å; F117-R119 HydrophobicContact CZ-CB 4.25Å; F117-W145 AromaticContact CD1-CH2 3.78Å; F117-W145 HydrophobicContact CD1-CH2 3.78Å; F117-W145 HydrophobicContact CD1-CZ2 4.02Å; F117-W145 HydrophobicContact CE1-CH2 4.01Å; F117-W145 AromaticContact CE1-CZ2 3.79Å; F117-W145 HydrophobicContact CE1-CZ2 3.79Å
118	S	97.8	Very high	97.4	Very high	60 Å²	60	65.8 Å²	65.8	42%	0.42	36%	0.356	S	S	.	.			trans	-134	150.8	175.6	66.9	0	0	0	0	111.1	Y115 W145	Y115-S118 WeakPolarHBondContact OH-CB 3.28Å; S118-W145 VanDerWaalsContact CA-CZ3 3.42Å
119	R	98.2	Very high	97.2	Very high	96 Å²	96	69.3 Å²	69.3	36%	0.362	37%	0.37	S	S	.	.			trans	-140.5	44.9	173.5	-154.4	74.8	-172.1	84.1	0.1	111.7	F117 L144 W145	F117-R119 HydrophobicContact CE1-CB 4.14Å; F117-R119 HydrophobicContact CZ-CB 4.25Å; R119-L144 HydrophobicContact CG-CD2 3.68Å; R119-L144 WeakPolarHBondContact O-CB 3.27Å; R119-W145 HydrophobicContact CB-CD2 3.9Å; R119-W145 HydrophobicContact CB-CE3 4.5Å; R119-W145 HydrophobicContact CB-CG 4.26Å; R119-W145 HydrophobicContact CB-CH2 4.43Å; R119-W145 HydrophobicContact CB-CZ2 3.8Å; R119-W145 VanDerWaalsContact N-CE3 3.31Å; R119-W145 WeakPolarHBondContact O-CB 3.19Å; R119-W145 VanDerWaalsContact O-CG 3.32Å; R119-W145 PolarHBondContact O-N 3.29Å
120	W	98.4	Very high	97.1	Very high	32 Å²	32	71.3 Å²	71.3	12%	0.121	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-55.5	143.2	170.7	-59.4	115.4	0	0	0	111.6	L98 W107 Y115 Q124 P125 W145 D147	L98-W120 HydrophobicContact CD2-CH2 3.6Å; L98-W120 HydrophobicContact CD2-CZ2 3.32Å; W107-W120 HydrophobicContact CD2-CH2 4.03Å; W107-W120 AromaticContact CD2-CZ2 3.7Å; W107-W120 HydrophobicContact CD2-CZ2 3.7Å; W107-W120 AromaticContact CE2-CH2 3.81Å; W107-W120 AromaticContact CE2-CZ2 3.64Å; W107-W120 HydrophobicContact CE3-CH2 4.05Å; W107-W120 HydrophobicContact CE3-CZ2 4.09Å; W107-W120 HydrophobicContact CG-CZ2 4.18Å; W107-W120 AromaticContact CH2-CH2 3.59Å; W107-W120 HydrophobicContact CH2-CH2 3.59Å; W107-W120 HydrophobicContact CH2-CZ2 4.25Å; W107-W120 AromaticContact CZ2-CH2 3.61Å; W107-W120 HydrophobicContact CZ2-CH2 3.61Å; W107-W120 AromaticContact CZ2-CZ2 3.94Å; W107-W120 HydrophobicContact CZ2-CZ2 3.94Å; W107-W120 AromaticContact CZ3-CH2 3.81Å; W107-W120 HydrophobicContact CZ3-CH2 3.81Å; W107-W120 HydrophobicContact CZ3-CZ2 4.31Å; Y115-W120 PolarHBondContact OH-NE1 3.27Å; W120-Q124 HydrophobicContact CB-CB 4.22Å; W120-Q124 VanDerWaalsContact CB-O 3.24Å; W120-Q124 WeakPolarHBondContact CB-O 3.3Å; W120-Q124 HydrophobicContact CE3-CB 4.19Å; W120-P125 HydrophobicContact CD2-CB 4.47Å; W120-P125 HydrophobicContact CD2-CG 4.28Å; W120-P125 HydrophobicContact CE3-CB 4.25Å; W120-P125 HydrophobicContact CH2-CB 4.16Å; W120-P125 HydrophobicContact CH2-CG 4.39Å; W120-P125 HydrophobicContact CZ2-CB 4.36Å; W120-P125 HydrophobicContact CZ2-CG 4.09Å; W120-P125 HydrophobicContact CZ3-CB 4.12Å; W120-W145 HydrophobicContact CD2-CB 4.19Å; W120-W145 HydrophobicContact CD2-CE3 4.39Å; W120-W145 HydrophobicContact CE3-CB 3.58Å; W120-W145 HydrophobicContact CZ3-CB 3.94Å; W120-D147 HydrophobicContact CZ3-CB 4.35Å
121	D	98.4	Very high	97	Very high	31 Å²	31	73.9 Å²	73.9	17%	0.166	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-69.1	165.3	167.8	-161.8	45.6	0	0	0	110.9	G123 Q124 F139 L144 W145	D121-G123 PolarHBondContact O-N 3.39Å; D121-G123 VanDerWaalsContact O-N 3.14Å; D121-Q124 HydrophobicContact CB-CG 4.2Å; D121-Q124 PolarHBondContact O-N 3.46Å; D121-F139 HydrophobicContact CB-CD1 3.7Å; D121-F139 HydrophobicContact CB-CE1 4.2Å; D121-F139 WeakPolarHBondContact OD2-CD1 3.43Å; D121-F139 WeakPolarHBondContact OD2-CE1 3.34Å; D121-L144 HydrophobicContact CB-CB 3.89Å; D121-W145 PolarHBondContact N-O 2.91Å
122	S	97.4	Very high	97.1	Very high	116 Å²	116	73.7 Å²	73.7	81%	0.811	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	120.1	178.7	-177.7	0	0	0	0	110.7
123	G	96.6	Very high	97.1	Very high	60 Å²	60	71.9 Å²	71.9	62%	0.619	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	95	-5.7	-178.1	0	0	0	0	0	114.2	D121 D126	D121-G123 PolarHBondContact O-N 3.39Å; D121-G123 VanDerWaalsContact O-N 3.14Å; G123-D126 WeakPolarHBondContact O-CB 3.14Å
124	Q	97.7	Very high	97.2	Very high	30 Å²	30	71.3 Å²	71.3	14%	0.14	37%	0.372	C	S	.	.			trans	-103.1	155	-178.9	-60.1	-56.2	-23.8	0	0	112.9	W120 D121 D126 N146 D147	W120-Q124 HydrophobicContact CB-CB 4.22Å; W120-Q124 VanDerWaalsContact CB-O 3.24Å; W120-Q124 WeakPolarHBondContact CB-O 3.3Å; W120-Q124 HydrophobicContact CE3-CB 4.19Å; D121-Q124 HydrophobicContact CB-CG 4.2Å; D121-Q124 PolarHBondContact O-N 3.46Å; Q124-D126 PolarHBondContact NE2-OD2 3.13Å; Q124-D126 VanDerWaalsContact OE1-CG 3.3Å; Q124-N146 HydrophobicContact CG-CB 4.34Å; Q124-N146 WeakPolarHBondContact CG-OD1 3.17Å; Q124-N146 PolarHBondContact NE2-OD1 2.95Å; Q124-N146 PolarHBondContact OE1-OD1 3.14Å; Q124-D147 PolarHBondContact OE1-OD1 3.01Å
125	P	96.9	Very high	97.3	Very high	50 Å²	50	64.5 Å²	64.5	33%	0.325	34%	0.342	S	S	.	.			cis	-71.8	138.2	-10	30.7	-30.2	0	0	0	111.2	W107 W120 D147	W107-P125 HydrophobicContact CZ2-CB 3.67Å; W107-P125 HydrophobicContact CZ2-CG 3.96Å; W120-P125 HydrophobicContact CD2-CB 4.47Å; W120-P125 HydrophobicContact CD2-CG 4.28Å; W120-P125 HydrophobicContact CE3-CB 4.25Å; W120-P125 HydrophobicContact CH2-CB 4.16Å; W120-P125 HydrophobicContact CH2-CG 4.39Å; W120-P125 HydrophobicContact CZ2-CB 4.36Å; W120-P125 HydrophobicContact CZ2-CG 4.09Å; W120-P125 HydrophobicContact CZ3-CB 4.12Å; P125-D147 WeakPolarHBondContact CA-OD1 3.44Å; P125-D147 HydrophobicContact CB-CB 3.91Å; P125-D147 WeakPolarHBondContact CB-OD1 3.31Å
126	D	97.4	Very high	97.4	Very high	79 Å²	79	60.9 Å²	60.9	42%	0.422	33%	0.328	S	S	.	.			trans	-103.4	-9.4	-177.1	71.9	18.3	0	0	0	113.6	G123 Q124 F128 D147	G123-D126 WeakPolarHBondContact O-CB 3.14Å; Q124-D126 PolarHBondContact NE2-OD2 3.13Å; Q124-D126 VanDerWaalsContact OE1-CG 3.3Å; D126-F128 PolarHBondContact O-N 2.74Å; D126-F128 WeakPolarHBondContact OD1-CB 3.42Å; D126-F128 PolarHBondContact OD1-N 3.01Å; D126-D147 PolarHBondContact N-OD1 3.19Å; D126-D147 VanDerWaalsContact N-OD1 3.14Å
127	N	97.1	Very high	97.5	Very high	28 Å²	28	51.1 Å²	51.1	15%	0.15	29%	0.291	C	S	.	.			trans	45.9	57.3	-175.8	-171	12.7	0	0	0	112	E104 H129 G130 I131 E132 D147	E104-N127 WeakPolarHBondContact OE1-CB 3.47Å; E104-N127 PolarHBondContact OE1-ND2 3.16Å; E104-N127 PolarHBondContact OE2-ND2 3.23Å; N127-H129 PolarHBondContact O-N 2.99Å; N127-H129 VanDerWaalsContact O-N 3.15Å; N127-G130 PolarHBondContact O-N 3.14Å; N127-G130 WeakPolarHBondContact OD1-CA 3.22Å; N127-I131 PolarHBondContact OD1-N 2.97Å; N127-E132 PolarHBondContact OD1-N 3.14Å; N127-D147 WeakPolarHBondContact CA-OD2 3.04Å; N127-D147 PolarHBondContact N-OD2 3.5Å
128	F	95.1	Very high	97.5	Very high	116 Å²	116	49.3 Å²	49.3	51%	0.509	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-54.6	124.2	-173.6	-169.5	-115	0	0	0	111.4	D126 G130 I131 E132	D126-F128 PolarHBondContact O-N 2.74Å; D126-F128 WeakPolarHBondContact OD1-CB 3.42Å; D126-F128 PolarHBondContact OD1-N 3.01Å; F128-G130 PolarHBondContact O-N 2.99Å; F128-G130 VanDerWaalsContact O-N 3.12Å; F128-I131 WeakPolarHBondContact O-CG1 3.47Å; F128-I131 PolarHBondContact O-N 3.39Å; F128-E132 HydrophobicContact CB-CG 4.2Å; F128-E132 VanDerWaalsContact CB-OE2 3.22Å; F128-E132 WeakPolarHBondContact CB-OE2 3.27Å; F128-E132 PolarHBondContact N-OE2 3.45Å; F128-E132 VanDerWaalsContact N-OE2 3.15Å
129	H	94.8	Very high	97.5	Very high	148 Å²	148	48.9 Å²	48.9	69%	0.685	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	58.4	13.1	-173.2	-63	-58.7	0	0	0	116.4	N127 I131	N127-H129 PolarHBondContact O-N 2.99Å; N127-H129 VanDerWaalsContact O-N 3.15Å; H129-I131 HydrophobicContact CB-CD1 4.45Å; H129-I131 HydrophobicContact CB-CG1 4.13Å
130	G	95.8	Very high	97.2	Very high	47 Å²	47	46.2 Å²	46.2	49%	0.485	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	75.2	21.4	178	0	0	0	0	0	114.3	N127 F128	N127-G130 PolarHBondContact O-N 3.14Å; N127-G130 WeakPolarHBondContact OD1-CA 3.22Å; F128-G130 PolarHBondContact O-N 2.99Å; F128-G130 VanDerWaalsContact O-N 3.12Å
131	I	96.5	Very high	96.9	Very high	91 Å²	91	49.5 Å²	49.5	47%	0.467	30%	0.304	S	S	.	.			trans	-129.8	6	-172	58.3	165	0	0	0	114	N127 F128 H129 N133 V149	N127-I131 PolarHBondContact OD1-N 2.97Å; F128-I131 WeakPolarHBondContact O-CG1 3.47Å; F128-I131 PolarHBondContact O-N 3.39Å; H129-I131 HydrophobicContact CB-CD1 4.45Å; H129-I131 HydrophobicContact CB-CG1 4.13Å; I131-N133 VanDerWaalsContact C-ND2 3.3Å; I131-N133 PolarHBondContact O-ND2 3.08Å; I131-V149 HydrophobicContact CD1-CG1 4.47Å; I131-V149 HydrophobicContact CD1-CG2 3.63Å; I131-V149 HydrophobicContact CG1-CG2 3.87Å
132	E	97.5	Very high	96.7	Very high	14 Å²	14	53 Å²	53	7%	0.065	32%	0.323	C	S	.	.			trans	-99.4	104.7	-176.8	-61.9	-163	133.7	0	0	110.1	N127 F128 D147 N148 V149	N127-E132 PolarHBondContact OD1-N 3.14Å; F128-E132 HydrophobicContact CB-CG 4.2Å; F128-E132 VanDerWaalsContact CB-OE2 3.22Å; F128-E132 WeakPolarHBondContact CB-OE2 3.27Å; F128-E132 PolarHBondContact N-OE2 3.45Å; F128-E132 VanDerWaalsContact N-OE2 3.15Å; E132-D147 HydrophobicContact CB-CB 4.14Å; E132-D147 WeakPolarHBondContact CB-OD2 3.44Å; E132-N148 WeakPolarHBondContact OE1-CA 3.45Å; E132-N148 PolarHBondContact OE1-ND2 3.15Å; E132-V149 HydrophobicContact CG-CG2 3.97Å
133	N	98.4	Very high	96.6	Very high	31 Å²	31	50.4 Å²	50.4	17%	0.166	30%	0.297	C	S	.	.			trans	-124.3	8	-169.7	-68.2	-106	0	0	0	113.4	T99 D100 I101 I131 N148 C150	T99-N133 VanDerWaalsContact CA-O 3.25Å; T99-N133 WeakPolarHBondContact CA-O 3.49Å; T99-N133 WeakPolarHBondContact CB-O 3.33Å; T99-N133 PolarHBondContact OG1-O 3.34Å; D100-N133 PolarHBondContact N-O 2.99Å; D100-N133 WeakPolarHBondContact OD1-CA 3.46Å; I101-N133 HydrophobicContact CB-CB 4.2Å; I131-N133 VanDerWaalsContact C-ND2 3.3Å; I131-N133 PolarHBondContact O-ND2 3.08Å; N133-N148 PolarHBondContact N-O 3.35Å; N133-C150 VanDerWaalsContact C-SG 3.59Å
134	C	98.9	Very high	96.7	Very high	1 Å²	1	48 Å²	48	1%	0.007	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	125.5	-173.3	-73	0	0	0	0	110.9	W54 W95 D147 N148 C150	W54-C134 HydrophobicContact CB-CB 3.96Å; W54-C134 VanDerWaalsContact CB-SG 3.55Å; W54-C134 HydrophobicContact CD2-CB 4.43Å; W54-C134 HydrophobicContact CG-CB 3.74Å; W95-C134 HydrophobicContact CE3-CB 4.41Å; W95-C134 HydrophobicContact CH2-CB 4.26Å; W95-C134 HydrophobicContact CZ3-CB 3.9Å; W95-C134 WeakPolarHBondContact CZ3-O 3.49Å; C134-D147 CarbonylContact O-C 3.45Å; C134-D147 WeakPolarHBondContact O-CA 3.24Å; C134-N148 PolarHBondContact N-O 2.83Å; C134-N148 PolarHBondContact O-N 2.84Å; C134-C150 HydrophobicContact CB-CB 3.95Å; C134-C150 WeakPolarHBondContact CB-SG 3.34Å; C134-C150 WeakPolarHBondContact SG-CB 3.34Å; C134-C150 CovalentContact SG-SG 2.03Å; C134-C150 PolarHBondContact SG-SG 3.33Å
135	G	98.7	Very high	96.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	139.6	-177.7	0	0	0	0	0	112.9	I96 L98	I96-G135 VanDerWaalsContact CG1-O 3.27Å; I96-G135 WeakPolarHBondContact CG1-O 3.3Å; I96-G135 PolarHBondContact N-O 2.76Å; I96-G135 VanDerWaalsContact N-O 3.12Å; L98-G135 PolarHBondContact O-N 3.3Å
136	H	98.8	Very high	96.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	163.9	166.7	70	93.6	0	0	0	111.1	W93 T94 W95 W145 N146 F154	W93-H136 AromaticContact CD1-CE1 3.9Å; W93-H136 AromaticContact CD2-CE1 3.76Å; W93-H136 AromaticContact CG-CE1 3.62Å; W93-H136 AromaticContact CG-ND1 3.78Å; T94-H136 CarbonylContact O-C 3.46Å; T94-H136 VanDerWaalsContact O-CA 3.27Å; T94-H136 WeakPolarHBondContact O-CA 3.29Å; T94-H136 VanDerWaalsContact O-CB 3.28Å; T94-H136 WeakPolarHBondContact O-CB 3.32Å; W95-H136 HydrophobicContact CE3-CB 3.69Å; W95-H136 HydrophobicContact CZ3-CB 3.98Å; H136-W145 WeakPolarHBondContact O-CA 3.33Å; H136-N146 PolarHBondContact CD2-O 3.01Å; H136-N146 PolarHBondContact N-O 3.23Å; H136-N146 WeakPolarHBondContact NE2-CB 3.46Å; H136-N146 PolarHBondContact NE2-ND2 3.19Å; H136-N146 PolarHBondContact O-N 2.87Å; H136-F154 HydrophobicContact CB-CD2 4.37Å
137	T	98.8	Very high	96.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-172.7	171.4	-162.8	0	0	0	0	111.5	N81 I84 T94 I96 F139 F143 L144	N81-T137 PolarHBondContact OD1-OG1 2.93Å; I84-T137 HydrophobicContact CD1-CG2 3.75Å; T94-T137 PolarHBondContact N-O 3.29Å; T94-T137 PolarHBondContact O-N 3.08Å; I96-T137 HydrophobicContact CG2-CG2 4.01Å; T137-F139 VanDerWaalsContact C-N 3.3Å; T137-F139 PolarHBondContact O-N 3.19Å; T137-F143 PolarHBondContact OG1-O 2.96Å; T137-L144 CarbonylContact C-O 3.51Å; T137-L144 WeakPolarHBondContact CA-O 3.16Å
138	N	97.7	Very high	97	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.032	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	59	32.9	-172	-63.3	-32.1	0	0	0	114.6	N81 I84 R91 S92 W93 F143 L144	N81-N138 PolarHBondContact OD1-OD1 3.3Å; I84-N138 WeakPolarHBondContact CD1-ND2 3.45Å; I84-N138 VanDerWaalsContact CG2-ND2 3.27Å; I84-N138 WeakPolarHBondContact CG2-ND2 3.4Å; R91-N138 WeakPolarHBondContact O-CB 3.49Å; S92-N138 PolarHBondContact O-ND2 3.03Å; S92-N138 VanDerWaalsContact O-ND2 3.13Å; W93-N138 VanDerWaalsContact CD1-O 3.32Å; N138-F143 HydrophobicContact CB-CD1 4.37Å; N138-L144 PolarHBondContact N-O 3.1Å
139	F	97.8	Very high	97.1	Very high	50 Å²	50	36.1 Å²	36.1	22%	0.219	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	144	171.7	-173.8	-100.1	0	0	0	111.7	W93 D121 T137 F143 L144 N146	W93-F139 HydrophobicContact CZ2-CD2 4.12Å; W93-F139 HydrophobicContact CZ2-CE2 4.19Å; W93-F139 AromaticContact NE1-CD2 3.99Å; D121-F139 HydrophobicContact CB-CD1 3.7Å; D121-F139 HydrophobicContact CB-CE1 4.2Å; D121-F139 WeakPolarHBondContact OD2-CD1 3.43Å; D121-F139 WeakPolarHBondContact OD2-CE1 3.34Å; T137-F139 VanDerWaalsContact C-N 3.3Å; T137-F139 PolarHBondContact O-N 3.19Å; F139-F143 CarbonylContact O-C 3.52Å; F139-F143 VanDerWaalsContact O-CA 3.29Å; F139-F143 WeakPolarHBondContact O-CA 3.36Å; F139-F143 PolarHBondContact O-N 2.81Å; F139-F143 VanDerWaalsContact O-N 3.14Å; F139-L144 PolarHBondContact N-O 3.14Å; F139-L144 PolarHBondContact O-N 2.92Å; F139-N146 HydrophobicContact CB-CB 3.65Å; F139-N146 HydrophobicContact CD1-CB 3.97Å; F139-N146 HydrophobicContact CD2-CB 3.8Å; F139-N146 HydrophobicContact CE2-CB 4.42Å; F139-N146 HydrophobicContact CG-CB 3.52Å
140	G	93.4	Very high	97.3	Very high	40 Å²	40	30.5 Å²	30.5	41%	0.412	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	-172	179.3	0	0	0	0	0	114.6	N142	G140-N142 VanDerWaalsContact C-N 3.27Å; G140-N142 PolarHBondContact O-N 3.47Å
141	S	91.8	Very high	97.5	Very high	101 Å²	101	32.1 Å²	32.1	71%	0.706	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-20.6	178.7	54.1	0	0	0	0	113.6	F143	S141-F143 WeakPolarHBondContact O-CE2 3.32Å
142	N	92.9	Very high	97.6	Very high	104 Å²	104	31 Å²	31	56%	0.556	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-2.8	-178.7	-67.1	-42.4	0	0	0	113.1	G140 L144	G140-N142 VanDerWaalsContact C-N 3.27Å; G140-N142 PolarHBondContact O-N 3.47Å; N142-L144 VanDerWaalsContact C-N 3.29Å; N142-L144 HydrophobicContact CB-CD1 3.88Å; N142-L144 HydrophobicContact CB-CD2 4.04Å; N142-L144 HydrophobicContact CB-CG 3.59Å; N142-L144 WeakPolarHBondContact O-CD2 3.34Å; N142-L144 PolarHBondContact O-N 3.18Å
143	F	96.7	Very high	97.6	Very high	62 Å²	62	36 Å²	36	27%	0.272	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	38.1	179.6	-48.3	-72.4	0	0	0	113.7	H77 N81 R91 T137 N138 F139 S141	H77-F143 PolarHBondContact CE1-O 3.49Å; H77-F143 VanDerWaalsContact CE1-O 3.31Å; N81-F143 WeakPolarHBondContact ND2-CB 3.25Å; N81-F143 PolarHBondContact ND2-O 2.88Å; R91-F143 HydrophobicContact CB-CD1 4.3Å; R91-F143 HydrophobicContact CB-CE1 4.13Å; R91-F143 HydrophobicContact CG-CE1 4.49Å; T137-F143 PolarHBondContact OG1-O 2.96Å; N138-F143 HydrophobicContact CB-CD1 4.37Å; F139-F143 CarbonylContact O-C 3.52Å; F139-F143 VanDerWaalsContact O-CA 3.29Å; F139-F143 WeakPolarHBondContact O-CA 3.36Å; F139-F143 PolarHBondContact O-N 2.81Å; F139-F143 VanDerWaalsContact O-N 3.14Å; S141-F143 WeakPolarHBondContact O-CE2 3.32Å
144	L	98.4	Very high	97.7	Very high	11 Å²	11	35 Å²	35	6%	0.058	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-169.7	-176.8	-57.3	-170.4	0	0	0	110.9	R119 D121 T137 N138 F139 N142	R119-L144 HydrophobicContact CG-CD2 3.68Å; R119-L144 WeakPolarHBondContact O-CB 3.27Å; D121-L144 HydrophobicContact CB-CB 3.89Å; T137-L144 CarbonylContact C-O 3.51Å; T137-L144 WeakPolarHBondContact CA-O 3.16Å; N138-L144 PolarHBondContact N-O 3.1Å; F139-L144 PolarHBondContact N-O 3.14Å; F139-L144 PolarHBondContact O-N 2.92Å; N142-L144 VanDerWaalsContact C-N 3.29Å; N142-L144 HydrophobicContact CB-CD1 3.88Å; N142-L144 HydrophobicContact CB-CD2 4.04Å; N142-L144 HydrophobicContact CB-CG 3.59Å; N142-L144 WeakPolarHBondContact O-CD2 3.34Å; N142-L144 PolarHBondContact O-N 3.18Å
145	W	98.8	Very high	97.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	148.8	-175.6	-49.1	-12.3	0	0	0	111.9	I71 H77 I96 L98 W109 Y115 F117 S118 R119 W120 D121 H136	I71-W145 HydrophobicContact CB-CH2 4.24Å; I71-W145 HydrophobicContact CB-CZ2 3.82Å; I71-W145 HydrophobicContact CD1-CZ2 4.05Å; I71-W145 HydrophobicContact CG1-CZ2 4.49Å; I71-W145 HydrophobicContact CG2-CZ2 3.88Å; H77-W145 AromaticContact CE1-CD1 3.93Å; H77-W145 AromaticContact CE1-NE1 3.52Å; H77-W145 AromaticContact ND1-NE1 3.27Å; H77-W145 PolarHBondContact ND1-NE1 2.92Å; I96-W145 HydrophobicContact CD1-CD2 4Å; I96-W145 HydrophobicContact CD1-CE3 4.36Å; I96-W145 HydrophobicContact CD1-CG 4.16Å; L98-W145 HydrophobicContact CD2-CE3 4.02Å; L98-W145 HydrophobicContact CD2-CZ3 4.03Å; W109-W145 AromaticContact CH2-CH2 3.95Å; W109-W145 HydrophobicContact CH2-CH2 3.95Å; W109-W145 HydrophobicContact CH2-CZ2 4.48Å; W109-W145 HydrophobicContact CH2-CZ3 4.17Å; W109-W145 AromaticContact CZ2-CH2 3.88Å; W109-W145 HydrophobicContact CZ2-CH2 3.88Å; W109-W145 HydrophobicContact CZ2-CZ3 4.18Å; Y115-W145 HydrophobicContact CE2-CZ3 4.29Å; F117-W145 AromaticContact CD1-CH2 3.78Å; F117-W145 HydrophobicContact CD1-CH2 3.78Å; F117-W145 HydrophobicContact CD1-CZ2 4.02Å; F117-W145 HydrophobicContact CE1-CH2 4.01Å; F117-W145 AromaticContact CE1-CZ2 3.79Å; F117-W145 HydrophobicContact CE1-CZ2 3.79Å; S118-W145 VanDerWaalsContact CA-CZ3 3.42Å; R119-W145 HydrophobicContact CB-CD2 3.9Å; R119-W145 HydrophobicContact CB-CE3 4.5Å; R119-W145 HydrophobicContact CB-CG 4.26Å; R119-W145 HydrophobicContact CB-CH2 4.43Å; R119-W145 HydrophobicContact CB-CZ2 3.8Å; R119-W145 VanDerWaalsContact N-CE3 3.31Å; R119-W145 WeakPolarHBondContact O-CB 3.19Å; R119-W145 VanDerWaalsContact O-CG 3.32Å; R119-W145 PolarHBondContact O-N 3.29Å; W120-W145 HydrophobicContact CD2-CB 4.19Å; W120-W145 HydrophobicContact CD2-CE3 4.39Å; W120-W145 HydrophobicContact CE3-CB 3.58Å; W120-W145 HydrophobicContact CZ3-CB 3.94Å; D121-W145 PolarHBondContact N-O 2.91Å; H136-W145 WeakPolarHBondContact O-CA 3.33Å
146	N	98.8	Very high	97.7	Very high	7 Å²	7	35.2 Å²	35.2	4%	0.037	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	145.8	174.8	-179.4	60.7	0	0	0	108.3	Q124 H136 F139	Q124-N146 HydrophobicContact CG-CB 4.34Å; Q124-N146 WeakPolarHBondContact CG-OD1 3.17Å; Q124-N146 PolarHBondContact NE2-OD1 2.95Å; Q124-N146 PolarHBondContact OE1-OD1 3.14Å; H136-N146 PolarHBondContact CD2-O 3.01Å; H136-N146 PolarHBondContact N-O 3.23Å; H136-N146 WeakPolarHBondContact NE2-CB 3.46Å; H136-N146 PolarHBondContact NE2-ND2 3.19Å; H136-N146 PolarHBondContact O-N 2.87Å; F139-N146 HydrophobicContact CB-CB 3.65Å; F139-N146 HydrophobicContact CD1-CB 3.97Å; F139-N146 HydrophobicContact CD2-CB 3.8Å; F139-N146 HydrophobicContact CE2-CB 4.42Å; F139-N146 HydrophobicContact CG-CB 3.52Å
147	D	98.5	Very high	97.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	152.6	169.4	57.5	-44.6	0	0	0	110	W107 W120 Q124 P125 D126 N127 E132 C134	W107-D147 HydrophobicContact CH2-CB 3.46Å; W107-D147 VanDerWaalsContact CH2-CB 3.46Å; W107-D147 HydrophobicContact CZ2-CB 3.7Å; W120-D147 HydrophobicContact CZ3-CB 4.35Å; Q124-D147 PolarHBondContact OE1-OD1 3.01Å; P125-D147 WeakPolarHBondContact CA-OD1 3.44Å; P125-D147 HydrophobicContact CB-CB 3.91Å; P125-D147 WeakPolarHBondContact CB-OD1 3.31Å; D126-D147 PolarHBondContact N-OD1 3.19Å; D126-D147 VanDerWaalsContact N-OD1 3.14Å; N127-D147 WeakPolarHBondContact CA-OD2 3.04Å; N127-D147 PolarHBondContact N-OD2 3.5Å; E132-D147 HydrophobicContact CB-CB 4.14Å; E132-D147 WeakPolarHBondContact CB-OD2 3.44Å; C134-D147 CarbonylContact O-C 3.45Å; C134-D147 WeakPolarHBondContact O-CA 3.24Å
148	N	98.6	Very high	97.7	Very high	13 Å²	13	35.2 Å²	35.2	7%	0.07	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	164.7	179.2	-149.4	-100.4	0	0	0	112.3	W95 E132 N133 C134 C150 N152 F154	W95-N148 HydrophobicContact CH2-CB 3.89Å; W95-N148 HydrophobicContact CZ3-CB 4.04Å; E132-N148 WeakPolarHBondContact OE1-CA 3.45Å; E132-N148 PolarHBondContact OE1-ND2 3.15Å; N133-N148 PolarHBondContact N-O 3.35Å; C134-N148 PolarHBondContact N-O 2.83Å; C134-N148 PolarHBondContact O-N 2.84Å; N148-C150 PolarHBondContact O-N 3.22Å; N148-N152 PolarHBondContact OD1-ND2 2.57Å; N148-F154 HydrophobicContact CB-CE2 4.16Å
149	V	98.6	Very high	97.7	Very high	33 Å²	33	35 Å²	35	20%	0.2	20%	0.203	C	C	.	.			trans	-61.6	120.1	176.6	-170.1	0	0	0	0	109.3	I131 E132 S151 N152	I131-V149 HydrophobicContact CD1-CG1 4.47Å; I131-V149 HydrophobicContact CD1-CG2 3.63Å; I131-V149 HydrophobicContact CG1-CG2 3.87Å; E132-V149 HydrophobicContact CG-CG2 3.97Å; V149-S151 WeakPolarHBondContact CG1-OG 3.17Å; V149-S151 PolarHBondContact O-N 3.31Å; V149-N152 WeakPolarHBondContact O-CB 3.44Å; V149-N152 PolarHBondContact O-N 2.87Å
150	C	98.8	Very high	97.6	Very high	29 Å²	29	34.1 Å²	34.1	20%	0.196	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.2	-173.1	-61.6	0	0	0	0	114.8	T53 W54 N133 C134 N148 N152	T53-C150 WeakPolarHBondContact CB-O 3.48Å; W54-C150 HydrophobicContact CB-CB 4.38Å; W54-C150 PolarHBondContact N-O 2.81Å; W54-C150 VanDerWaalsContact N-O 3.08Å; N133-C150 VanDerWaalsContact C-SG 3.59Å; C134-C150 HydrophobicContact CB-CB 3.95Å; C134-C150 WeakPolarHBondContact CB-SG 3.34Å; C134-C150 WeakPolarHBondContact SG-CB 3.34Å; C134-C150 CovalentContact SG-SG 2.03Å; C134-C150 PolarHBondContact SG-SG 3.33Å; N148-C150 PolarHBondContact O-N 3.22Å; C150-N152 VanDerWaalsContact C-N 3.33Å
151	S	98.6	Very high	96.9	Very high	81 Å²	81	37.4 Å²	37.4	57%	0.566	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-6.2	177.6	60.3	0	0	0	0	114	T53 V149	T53-S151 WeakPolarHBondContact CG2-O 3.25Å; V149-S151 WeakPolarHBondContact CG1-OG 3.17Å; V149-S151 PolarHBondContact O-N 3.31Å
152	N	98.7	Very high	95.6	Very high	67 Å²	67	36 Å²	36	36%	0.358	19%	0.187	S	C	.	.	S	Bend	trans	-69.8	156.6	171.9	-77.8	-24	0	0	0	111.6	T53 W95 N148 V149 C150 F154	T53-N152 WeakPolarHBondContact CA-O 3.25Å; W95-N152 HydrophobicContact CZ2-CB 4.21Å; W95-N152 WeakPolarHBondContact CZ2-O 3.47Å; N148-N152 PolarHBondContact OD1-ND2 2.57Å; V149-N152 WeakPolarHBondContact O-CB 3.44Å; V149-N152 PolarHBondContact O-N 2.87Å; C150-N152 VanDerWaalsContact C-N 3.33Å; N152-F154 HydrophobicContact CB-CE1 4.21Å; N152-F154 HydrophobicContact CB-CE2 4.2Å; N152-F154 HydrophobicContact CB-CZ 3.75Å
153	K	98.8	Very high	93.6	Very high	119 Å²	119	35.7 Å²	35.7	52%	0.517	20%	0.199	S	C	.	.			trans	-111.3	107.7	-172.2	-64.8	-172.2	-179.6	-174.9	0	112.3	R51 V52 T53	R51-K153 HydrophobicContact CB-CB 4.16Å; R51-K153 PolarHBondContact NE-O 2.98Å; R51-K153 PolarHBondContact NH2-O 3.44Å; V52-K153 WeakPolarHBondContact O-CA 3.48Å; T53-K153 HydrophobicContact CG2-CG 4.4Å
154	F	98.9	Very high	91.1	Very high	12 Å²	12	46.2 Å²	46.2	5%	0.053	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	161.6	179.6	-56.8	-32.3	0	0	0	111.6	R51 V52 W93 W95 H136 N148 N152	R51-F154 WeakPolarHBondContact CA-O 3.37Å; V52-F154 PolarHBondContact N-O 3.37Å; V52-F154 PolarHBondContact O-N 3.02Å; V52-F154 VanDerWaalsContact O-N 3.1Å; W93-F154 HydrophobicContact CB-CD1 4.19Å; W93-F154 HydrophobicContact CB-CD2 4.25Å; W93-F154 HydrophobicContact CB-CE1 4.45Å; W93-F154 HydrophobicContact CB-CE2 4.48Å; W93-F154 HydrophobicContact CB-CG 4.16Å; W93-F154 HydrophobicContact CE3-CD1 4.47Å; W93-F154 AromaticContact CE3-CE1 3.66Å; W93-F154 HydrophobicContact CE3-CE1 3.66Å; W93-F154 HydrophobicContact CE3-CE2 4.17Å; W93-F154 AromaticContact CE3-CZ 3.5Å; W93-F154 HydrophobicContact CE3-CZ 3.5Å; W93-F154 HydrophobicContact CZ3-CE1 4.36Å; W93-F154 HydrophobicContact CZ3-CZ 4.08Å; W93-F154 WeakPolarHBondContact O-CB 3.12Å; W95-F154 HydrophobicContact CD2-CB 4.13Å; W95-F154 AromaticContact CD2-CD2 3.61Å; W95-F154 HydrophobicContact CD2-CD2 3.61Å; W95-F154 HydrophobicContact CD2-CE2 4.48Å; W95-F154 HydrophobicContact CD2-CG 4.33Å; W95-F154 AromaticContact CE2-CD2 3.3Å; W95-F154 AromaticContact CE2-CG 3.88Å; W95-F154 AromaticContact CE3-CD2 3.78Å; W95-F154 HydrophobicContact CE3-CD2 3.78Å; W95-F154 HydrophobicContact CE3-CE2 4.34Å; W95-F154 HydrophobicContact CG-CB 4.09Å; W95-F154 HydrophobicContact CG-CD2 4.42Å; W95-F154 AromaticContact CH2-CD2 3.42Å; W95-F154 HydrophobicContact CH2-CD2 3.42Å; W95-F154 VanDerWaalsContact CH2-CD2 3.42Å; W95-F154 AromaticContact CH2-CE2 3.3Å; W95-F154 HydrophobicContact CH2-CE2 3.3Å; W95-F154 HydrophobicContact CH2-CZ 4.4Å; W95-F154 HydrophobicContact CZ2-CB 4.49Å; W95-F154 AromaticContact CZ2-CD2 3.22Å; W95-F154 HydrophobicContact CZ2-CD2 3.22Å; W95-F154 AromaticContact CZ2-CE2 3.47Å; W95-F154 HydrophobicContact CZ2-CE2 3.47Å; W95-F154 VanDerWaalsContact CZ2-CE2 3.47Å; W95-F154 HydrophobicContact CZ2-CG 4.03Å; W95-F154 HydrophobicContact CZ2-CZ 4.43Å; W95-F154 AromaticContact CZ3-CD2 3.68Å; W95-F154 HydrophobicContact CZ3-CD2 3.68Å; W95-F154 AromaticContact CZ3-CE2 3.77Å; W95-F154 HydrophobicContact CZ3-CE2 3.77Å; W95-F154 AromaticContact NE1-CD2 3.97Å; H136-F154 HydrophobicContact CB-CD2 4.37Å; N148-F154 HydrophobicContact CB-CE2 4.16Å; N152-F154 HydrophobicContact CB-CE1 4.21Å; N152-F154 HydrophobicContact CB-CE2 4.2Å; N152-F154 HydrophobicContact CB-CZ 3.75Å
155	A	98.8	Very high	90.7	Very high	3 Å²	3	48 Å²	48	3%	0.025	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	171.5	165.1	0	0	0	0	0	109.8	Y47 F48 T94 W95	Y47-A155 HydrophobicContact CE2-CB 3.68Å; Y47-A155 VanDerWaalsContact OH-CB 3.31Å; Y47-A155 WeakPolarHBondContact OH-CB 3.43Å; F48-A155 WeakPolarHBondContact O-CA 3.44Å; F48-A155 WeakPolarHBondContact O-CB 3.39Å; T94-A155 CarbonylContact C-O 3.49Å; T94-A155 VanDerWaalsContact CA-O 3.3Å; T94-A155 WeakPolarHBondContact CA-O 3.4Å; W95-A155 PolarHBondContact N-O 3.32Å
156	F	98.9	Very high	90.3	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	161.2	-177.5	58.6	-83.4	0	0	0	113.1	F48 S50 V52 A57 Q60 L68 W95	F48-F156 HydrophobicContact CB-CD1 4Å; F48-F156 HydrophobicContact CB-CD2 3.94Å; F48-F156 HydrophobicContact CB-CE1 3.58Å; F48-F156 HydrophobicContact CB-CE2 3.51Å; F48-F156 HydrophobicContact CB-CG 4.15Å; F48-F156 HydrophobicContact CB-CZ 3.3Å; F48-F156 HydrophobicContact CD1-CE2 4.24Å; F48-F156 HydrophobicContact CD1-CZ 4.04Å; F48-F156 AromaticContact CD2-CD2 3.97Å; F48-F156 HydrophobicContact CD2-CD2 3.97Å; F48-F156 AromaticContact CD2-CE2 3.46Å; F48-F156 HydrophobicContact CD2-CE2 3.46Å; F48-F156 VanDerWaalsContact CD2-CE2 3.46Å; F48-F156 HydrophobicContact CD2-CZ 4.04Å; F48-F156 HydrophobicContact CE2-CE2 4.19Å; F48-F156 HydrophobicContact CG-CD2 4.2Å; F48-F156 HydrophobicContact CG-CE1 4.34Å; F48-F156 AromaticContact CG-CE2 3.49Å; F48-F156 HydrophobicContact CG-CE2 3.49Å; F48-F156 VanDerWaalsContact CG-CE2 3.49Å; F48-F156 AromaticContact CG-CZ 3.55Å; F48-F156 HydrophobicContact CG-CZ 3.55Å; F48-F156 PolarHBondContact N-O 3.41Å; F48-F156 PolarHBondContact O-N 3.49Å; S50-F156 WeakPolarHBondContact OG-CE1 3.49Å; V52-F156 HydrophobicContact CG2-CD1 3.77Å; V52-F156 HydrophobicContact CG2-CE1 3.57Å; A57-F156 HydrophobicContact CB-CB 3.82Å; A57-F156 HydrophobicContact CB-CD1 3.79Å; A57-F156 HydrophobicContact CB-CD2 4Å; A57-F156 HydrophobicContact CB-CE1 4.33Å; A57-F156 HydrophobicContact CB-CG 3.61Å; Q60-F156 HydrophobicContact CB-CE2 4.08Å; Q60-F156 HydrophobicContact CB-CZ 3.9Å; Q60-F156 HydrophobicContact CG-CE2 4.01Å; Q60-F156 HydrophobicContact CG-CZ 3.69Å; L68-F156 HydrophobicContact CD2-CB 3.71Å; L68-F156 HydrophobicContact CD2-CD2 4.18Å; L68-F156 HydrophobicContact CD2-CG 4.32Å; W95-F156 HydrophobicContact CB-CB 3.99Å
157	V	98.9	Very high	89.8	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	129.1	173.3	177.8	0	0	0	0	109.2	K46 Y47 V69 V80 L83 I84 T94 W95	K46-V157 WeakPolarHBondContact O-CA 3.44Å; Y47-V157 HydrophobicContact CD2-CG2 3.93Å; V69-V157 HydrophobicContact CB-CB 4.19Å; V69-V157 HydrophobicContact CB-CG1 3.92Å; V69-V157 HydrophobicContact CG1-CB 3.74Å; V69-V157 HydrophobicContact CG1-CG1 3.93Å; V69-V157 HydrophobicContact CG2-CG1 4.4Å; V69-V157 PolarHBondContact N-O 3.44Å; V80-V157 HydrophobicContact CG1-CG2 4.28Å; L83-V157 HydrophobicContact CD2-CG1 4.13Å; I84-V157 HydrophobicContact CD1-CG2 4.09Å; I84-V157 HydrophobicContact CG1-CG2 3.8Å; T94-V157 HydrophobicContact CG2-CG2 3.89Å; W95-V157 PolarHBondContact O-N 2.97Å
158	C	98.8	Very high	89.3	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	153.7	171.4	-56	0	0	0	0	111	W37 Y45 K46 F48 C61 A66 N67	W37-C158 HydrophobicContact CH2-CB 3.61Å; W37-C158 HydrophobicContact CZ3-CB 4.06Å; Y45-C158 VanDerWaalsContact CA-O 3.31Å; Y45-C158 WeakPolarHBondContact CA-O 3.36Å; K46-C158 PolarHBondContact N-O 3.2Å; K46-C158 PolarHBondContact O-N 2.7Å; F48-C158 HydrophobicContact CE2-CB 4.12Å; F48-C158 WeakPolarHBondContact CE2-SG 3.22Å; C61-C158 WeakPolarHBondContact CA-SG 3.31Å; C61-C158 HydrophobicContact CB-CB 3.75Å; C61-C158 WeakPolarHBondContact CB-SG 3.06Å; C61-C158 VanDerWaalsContact SG-CA 3.5Å; C61-C158 WeakPolarHBondContact SG-CB 3.4Å; C61-C158 CovalentContact SG-SG 2.04Å; C61-C158 PolarHBondContact SG-SG 2.99Å; A66-C158 HydrophobicContact CB-CB 4.09Å; N67-C158 CarbonylContact O-C 3.46Å; N67-C158 VanDerWaalsContact O-CA 3.23Å; N67-C158 WeakPolarHBondContact O-CA 3.42Å
159	T	98.2	Very high	88.7	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	135.1	172.9	-171	0	0	0	0	111.7	R43 C44 A66 N67 V69	R43-T159 PolarHBondContact NE-OG1 2.57Å; R43-T159 PolarHBondContact NH2-OG1 2.73Å; C44-T159 CarbonylContact O-C 3.55Å; C44-T159 VanDerWaalsContact O-CA 3.23Å; C44-T159 WeakPolarHBondContact O-CA 3.42Å; C44-T159 PolarHBondContact O-OG1 3.12Å; A66-T159 WeakPolarHBondContact CA-O 3.47Å; A66-T159 VanDerWaalsContact CB-O 3.25Å; A66-T159 WeakPolarHBondContact CB-O 2.96Å; N67-T159 PolarHBondContact N-O 2.83Å; N67-T159 VanDerWaalsContact N-O 3.09Å; N67-T159 PolarHBondContact O-N 3.29Å; V69-T159 HydrophobicContact CB-CG2 4.33Å; V69-T159 HydrophobicContact CG2-CG2 4.28Å
160	I	95.4	Very high	88.1	Confident	33 Å²	33	60.5 Å²	60.5	17%	0.169	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	126.7	169	-60.8	165.4	0	0	0	107.5	P34 W37 C44 A66	P34-I160 HydrophobicContact CG-CD1 4.06Å; W37-I160 HydrophobicContact CD2-CD1 3.86Å; W37-I160 HydrophobicContact CE3-CD1 3.87Å; W37-I160 HydrophobicContact CE3-CG1 4.09Å; W37-I160 HydrophobicContact CH2-CD1 4.02Å; W37-I160 HydrophobicContact CH2-CG1 3.82Å; W37-I160 HydrophobicContact CZ2-CD1 3.99Å; W37-I160 HydrophobicContact CZ2-CG1 4.27Å; W37-I160 HydrophobicContact CZ3-CD1 3.96Å; W37-I160 HydrophobicContact CZ3-CG1 3.72Å; C44-I160 HydrophobicContact CB-CB 4.19Å; C44-I160 HydrophobicContact CB-CD1 4.24Å; C44-I160 PolarHBondContact O-N 2.8Å; A66-I160 HydrophobicContact CB-CG1 3.83Å
161	R	78.6	Confident	87.3	Confident	109 Å²	109	62.7 Å²	62.7	41%	0.411	32%	0.319	S	S	.	.			trans	-84.4	121.8	165.4	-58	-177.4	105.8	168.2	4.5	107.4	D111 A163	D111-R161 PolarHBondContact O-NH1 3.15Å; D111-R161 IonicContact OD1-NH1 3.71Å; D111-R161 WeakPolarHBondContact OD2-CD 3.35Å; D111-R161 IonicContact OD2-CZ 3.21Å; D111-R161 IonicContact OD2-NE 3.87Å; D111-R161 PolarHBondContact OD2-NE 2.88Å; D111-R161 IonicContact OD2-NH1 3.27Å; D111-R161 PolarHBondContact OD2-NH1 3.45Å; D111-R161 IonicContact OD2-NH2 3.83Å; R161-A163 PolarHBondContact O-N 3.15Å; R161-A163 VanDerWaalsContact O-N 3.08Å
162	T	64.6	Low	86.4	Confident	71 Å²	71	61.3 Å²	61.3	44%	0.436	30%	0.3	S	S	.	.			trans	-66.6	105.9	166.4	29.4	0	0	0	0	107.4	G42 Y164	G42-T162 PolarHBondContact O-OG1 2.96Å; T162-Y164 PolarHBondContact O-N 2.99Å
163	A	52.2	Low	85.4	Confident	98 Å²	98	60.8 Å²	60.8	81%	0.81	30%	0.295	S	S	*	.			trans	-70.7	115.8	159.9	0	0	0	0	0	106.2	R161	R161-A163 PolarHBondContact O-N 3.15Å; R161-A163 VanDerWaalsContact O-N 3.08Å
164	Y	42.8	Very low	84.2	Confident	283 Å²	283	55.5 Å²	55.5	100%	1.11	28%	0.275	S	S	*	.			trans	-68.5	0	162.3	-68	-80.9	0	0	0	109.2	T162	T162-Y164 PolarHBondContact O-N 2.99Å

Retrieved 164 of 164 residues in 1428 ms (Link to these results)

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