A0A060WHN1_ONCMY Loading...

Nucleoside diphosphate kinase

AlphaFold DB , UniProt , Accession A0A060WHN1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene nme3, Length 183 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.8	Very low	48.7	Very low	251 Å²	251	170.3 Å²	170.3	100%	1.236	83%	0.831	S	S	*	*				0	108.4	0	-96.5	159.8	171.7	0	0	108.8
2	G	41.1	Very low	48.4	Very low	82 Å²	82	166.9 Å²	166.9	85%	0.845	81%	0.812	S	S	*	*			trans	-76.8	132.7	-168.5	0	0	0	0	0	113.7	R4	G2-R4 PolarHBondContact O-N 3.43Å
3	R	44.4	Very low	48.2	Very low	251 Å²	251	162.8 Å²	162.8	95%	0.947	79%	0.79	S	S	*	*			trans	-76	112.6	167.4	-82.7	179.3	170.7	179.1	-2.8	109	K5	R3-K5 PolarHBondContact O-N 3.42Å
4	R	48.9	Very low	48.2	Very low	243 Å²	243	161.1 Å²	161.1	92%	0.917	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-62.9	124	168.6	-80.9	179.6	172.4	179.1	-2.8	109.5	G2	G2-R4 PolarHBondContact O-N 3.43Å
5	K	52.3	Low	48	Very low	205 Å²	205	156.9 Å²	156.9	89%	0.891	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-63.9	127.9	167.4	-71.2	-179	176	-177.6	0	108.5	R3 S7	R3-K5 PolarHBondContact O-N 3.42Å; K5-S7 PolarHBondContact O-N 3.5Å
6	R	52.7	Low	48	Very low	243 Å²	243	153.8 Å²	153.8	92%	0.917	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-77.6	117.5	167.7	-68.7	-177.6	-158	-177.1	5.3	107.5
7	S	50	Low	48.2	Very low	108 Å²	108	149.1 Å²	149.1	76%	0.755	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-78.9	117.6	168.1	49.9	0	0	0	0	109.1	K5	K5-S7 PolarHBondContact O-N 3.5Å
8	L	58.2	Low	48.3	Very low	166 Å²	166	145.6 Å²	145.6	87%	0.869	71%	0.708	S	S	*	*			trans	-110.5	105.2	154.4	-72.9	166.2	0	0	0	105.1
9	P	50	Low	48.1	Very low	58 Å²	58	145 Å²	145	38%	0.377	70%	0.704	S	S	.	*			trans	-158.6	102.3	137.4	34.1	-12.2	0	0	0	112.4	E13	P9-E13 HydrophobicContact CB-CG 4.24Å
10	V	50.1	Low	48.2	Very low	99 Å²	99	139.8 Å²	139.8	60%	0.6	69%	0.685	S	S	*	*	S	Bend	trans	-135.4	-36.9	163.5	178.6	0	0	0	0	110.2	K14	V10-K14 WeakPolarHBondContact O-CG 3.4Å; V10-K14 PolarHBondContact O-N 3Å
11	Q	44.7	Very low	48.3	Very low	167 Å²	167	138 Å²	138	78%	0.78	67%	0.674	S	S	*	*	H	α-helix	trans	-77.8	-31.9	177	-70.2	-179.7	-13.6	0	0	112.6	N15	Q11-N15 PolarHBondContact O-N 2.74Å
12	Q	45.8	Very low	48.5	Very low	130 Å²	130	131.2 Å²	131.2	61%	0.607	64%	0.639	S	S	*	*	H	α-helix	trans	-71.7	-42.8	178.8	-161.6	159.9	-6.4	0	0	111.4	K14 N15 E16	Q12-K14 PolarHBondContact O-N 3.01Å; Q12-N15 PolarHBondContact O-N 3.12Å; Q12-E16 WeakPolarHBondContact O-CG 3.48Å; Q12-E16 PolarHBondContact O-N 3.43Å
13	E	45.5	Very low	48.5	Very low	113 Å²	113	129.4 Å²	129.4	53%	0.528	62%	0.616	S	S	.	*	H	α-helix	trans	-62.7	-36.7	175.1	-69.7	178	172.6	0	0	113.1	P9 D17	P9-E13 HydrophobicContact CB-CG 4.24Å; E13-D17 WeakPolarHBondContact O-CB 3.36Å; E13-D17 PolarHBondContact O-N 3.4Å
14	K	48.3	Very low	48.5	Very low	140 Å²	140	125.1 Å²	125.1	61%	0.609	60%	0.6	S	S	*	*	H	α-helix	trans	-69	-35	176.9	-79.4	-175.5	176.7	-173.1	0	113.2	V10 Q12 L18	V10-K14 WeakPolarHBondContact O-CG 3.4Å; V10-K14 PolarHBondContact O-N 3Å; Q12-K14 PolarHBondContact O-N 3.01Å; K14-L18 WeakPolarHBondContact O-CD1 3.44Å; K14-L18 WeakPolarHBondContact O-CG 3.41Å; K14-L18 PolarHBondContact O-N 2.85Å; K14-L18 VanDerWaalsContact O-N 3.12Å
15	N	45.1	Very low	48.5	Very low	97 Å²	97	116.7 Å²	116.7	52%	0.519	57%	0.572	S	S	.	*	H	α-helix	trans	-74.2	-39.4	177.3	-78	-5.9	0	0	0	111.1	Q11 Q12 D17 L18 E19	Q11-N15 PolarHBondContact O-N 2.74Å; Q12-N15 PolarHBondContact O-N 3.12Å; N15-D17 VanDerWaalsContact C-N 3.32Å; N15-D17 PolarHBondContact O-N 3.26Å; N15-L18 PolarHBondContact O-N 2.75Å; N15-E19 WeakPolarHBondContact O-CB 3.36Å; N15-E19 WeakPolarHBondContact O-CG 3.45Å; N15-E19 PolarHBondContact O-N 3.27Å
16	E	47.6	Very low	48.2	Very low	108 Å²	108	115.1 Å²	115.1	51%	0.505	57%	0.568	S	S	.	*	H	α-helix	trans	-63.2	-37.4	173.4	-72.2	171	-174.3	0	0	111.7	Q12 A20	Q12-E16 WeakPolarHBondContact O-CG 3.48Å; Q12-E16 PolarHBondContact O-N 3.43Å; E16-A20 WeakPolarHBondContact O-CB 3.44Å; E16-A20 PolarHBondContact O-N 3.3Å
17	D	51.5	Low	47.7	Very low	73 Å²	73	111.7 Å²	111.7	39%	0.39	56%	0.563	S	S	.	*	H	α-helix	trans	-72.7	-29.9	176.8	-163.3	42.4	0	0	0	112.8	E13 N15 K21	E13-D17 WeakPolarHBondContact O-CB 3.36Å; E13-D17 PolarHBondContact O-N 3.4Å; N15-D17 VanDerWaalsContact C-N 3.32Å; N15-D17 PolarHBondContact O-N 3.26Å; D17-K21 WeakPolarHBondContact O-CB 3.34Å; D17-K21 WeakPolarHBondContact O-CD 3.3Å; D17-K21 WeakPolarHBondContact O-CG 3.37Å; D17-K21 PolarHBondContact O-N 3.46Å; D17-K21 WeakPolarHBondContact OD2-CE 3.14Å; D17-K21 IonicContact OD2-NZ 3.26Å; D17-K21 PolarHBondContact OD2-NZ 2.82Å
18	L	50.6	Low	47.3	Very low	87 Å²	87	110 Å²	110	46%	0.455	55%	0.551	S	S	.	*	H	α-helix	trans	-72.9	-45	171.2	-82.8	159.7	0	0	0	111.4	K14 N15 A20 K21 H22	K14-L18 WeakPolarHBondContact O-CD1 3.44Å; K14-L18 WeakPolarHBondContact O-CG 3.41Å; K14-L18 PolarHBondContact O-N 2.85Å; K14-L18 VanDerWaalsContact O-N 3.12Å; N15-L18 PolarHBondContact O-N 2.75Å; L18-A20 VanDerWaalsContact C-N 3.35Å; L18-K21 PolarHBondContact O-N 2.91Å; L18-H22 PolarHBondContact O-N 3.24Å; L18-H22 PolarHBondContact O-ND1 2.99Å
19	E	45.1	Very low	46.8	Very low	134 Å²	134	109.8 Å²	109.8	63%	0.626	55%	0.55	S	S	*	*	H	α-helix	trans	-65.1	-38.5	175.9	-74.4	177.8	170.2	0	0	111.2	N15 K21 H22 A23	N15-E19 WeakPolarHBondContact O-CB 3.36Å; N15-E19 WeakPolarHBondContact O-CG 3.45Å; N15-E19 PolarHBondContact O-N 3.27Å; E19-K21 VanDerWaalsContact C-N 3.33Å; E19-K21 PolarHBondContact O-N 3.12Å; E19-H22 PolarHBondContact O-N 2.88Å; E19-A23 VanDerWaalsContact O-CB 3.3Å; E19-A23 WeakPolarHBondContact O-CB 3.32Å; E19-A23 PolarHBondContact O-N 3.07Å
20	A	48.8	Very low	47.5	Very low	40 Å²	40	108.7 Å²	108.7	33%	0.331	55%	0.55	S	S	.	*	H	α-helix	trans	-69.9	-26.3	173.6	0	0	0	0	0	113.5	E16 L18 R24	E16-A20 WeakPolarHBondContact O-CB 3.44Å; E16-A20 PolarHBondContact O-N 3.3Å; L18-A20 VanDerWaalsContact C-N 3.35Å; A20-R24 WeakPolarHBondContact O-CB 3.14Å; A20-R24 WeakPolarHBondContact O-CG 3.38Å; A20-R24 PolarHBondContact O-N 3.46Å; A20-R24 VanDerWaalsContact O-N 3.12Å; A20-R24 PolarHBondContact O-NE 3.36Å
21	K	50.8	Low	48.9	Very low	103 Å²	103	106.8 Å²	106.8	45%	0.448	53%	0.532	S	S	.	.	H	α-helix	trans	-74.2	-39.3	169.5	-78.3	166.3	-167.7	161.7	0	111.5	D17 L18 E19 R24 I25	D17-K21 WeakPolarHBondContact O-CB 3.34Å; D17-K21 WeakPolarHBondContact O-CD 3.3Å; D17-K21 WeakPolarHBondContact O-CG 3.37Å; D17-K21 PolarHBondContact O-N 3.46Å; D17-K21 WeakPolarHBondContact OD2-CE 3.14Å; D17-K21 IonicContact OD2-NZ 3.26Å; D17-K21 PolarHBondContact OD2-NZ 2.82Å; L18-K21 PolarHBondContact O-N 2.91Å; E19-K21 VanDerWaalsContact C-N 3.33Å; E19-K21 PolarHBondContact O-N 3.12Å; K21-R24 PolarHBondContact O-N 2.77Å; K21-I25 WeakPolarHBondContact O-CG1 3.5Å; K21-I25 PolarHBondContact O-N 3.06Å
22	H	47	Very low	51	Low	108 Å²	108	103 Å²	103	50%	0.5	52%	0.52	S	S	.	.	H	α-helix	trans	-67.8	-42	173.9	-71.7	102.5	0	0	0	111.8	L18 E19 R24 I25 E26	L18-H22 PolarHBondContact O-N 3.24Å; L18-H22 PolarHBondContact O-ND1 2.99Å; E19-H22 PolarHBondContact O-N 2.88Å; H22-R24 VanDerWaalsContact C-N 3.33Å; H22-R24 PolarHBondContact O-N 2.94Å; H22-I25 WeakPolarHBondContact O-CB 3.48Å; H22-I25 PolarHBondContact O-N 2.84Å; H22-E26 PolarHBondContact O-N 2.97Å
23	A	40.7	Very low	53.3	Low	44 Å²	44	98.5 Å²	98.5	36%	0.364	51%	0.509	S	S	.	.	H	α-helix	trans	-65.5	-34.2	175.7	0	0	0	0	0	112.3	E19 I25 E26 E27	E19-A23 VanDerWaalsContact O-CB 3.3Å; E19-A23 WeakPolarHBondContact O-CB 3.32Å; E19-A23 PolarHBondContact O-N 3.07Å; A23-I25 PolarHBondContact O-N 3.26Å; A23-E26 WeakPolarHBondContact O-CA 3.38Å; A23-E26 WeakPolarHBondContact O-CB 3.28Å; A23-E26 PolarHBondContact O-N 3.31Å; A23-E27 PolarHBondContact O-N 3.46Å
24	R	45.8	Very low	55.6	Low	161 Å²	161	96.1 Å²	96.1	61%	0.608	50%	0.502	S	S	*	.	H	α-helix	trans	-65.3	-21	171.4	-86.9	-172.7	-93.7	-161.3	-5.6	114	A20 K21 H22 S28	A20-R24 WeakPolarHBondContact O-CB 3.14Å; A20-R24 WeakPolarHBondContact O-CG 3.38Å; A20-R24 PolarHBondContact O-N 3.46Å; A20-R24 VanDerWaalsContact O-N 3.12Å; A20-R24 PolarHBondContact O-NE 3.36Å; K21-R24 PolarHBondContact O-N 2.77Å; H22-R24 VanDerWaalsContact C-N 3.33Å; H22-R24 PolarHBondContact O-N 2.94Å; R24-S28 PolarHBondContact O-N 3.49Å
25	I	48.8	Very low	57.8	Low	66 Å²	66	93.2 Å²	93.2	34%	0.338	49%	0.493	S	S	.	.	H	α-helix	trans	-80	-25.4	171.8	-61.2	164.5	0	0	0	110.6	K21 H22 A23 C172	K21-I25 WeakPolarHBondContact O-CG1 3.5Å; K21-I25 PolarHBondContact O-N 3.06Å; H22-I25 WeakPolarHBondContact O-CB 3.48Å; H22-I25 PolarHBondContact O-N 2.84Å; A23-I25 PolarHBondContact O-N 3.26Å; I25-C172 HydrophobicContact CD1-CB 4.36Å
26	E	44.1	Very low	60.3	Low	173 Å²	173	89.6 Å²	89.6	81%	0.808	47%	0.473	S	S	*	.	H	α-helix	trans	-80.1	-22	176.1	-64.3	-169.3	160.5	0	0	113.3	H22 A23	H22-E26 PolarHBondContact O-N 2.97Å; A23-E26 WeakPolarHBondContact O-CA 3.38Å; A23-E26 WeakPolarHBondContact O-CB 3.28Å; A23-E26 PolarHBondContact O-N 3.31Å
27	E	42.5	Very low	62.8	Low	171 Å²	171	85.4 Å²	85.4	80%	0.799	45%	0.454	S	S	*	.	S	Bend	trans	-112.1	2.1	-175.8	-72.4	-169.7	161.3	0	0	116	A23 D29	A23-E27 PolarHBondContact O-N 3.46Å; E27-D29 PolarHBondContact O-N 3.39Å
28	S	42.8	Very low	65	Low	72 Å²	72	81.9 Å²	81.9	50%	0.503	44%	0.435	S	S	.	.	S	Bend	trans	-80.2	109.2	177.4	75.4	0	0	0	0	111.3	R24 G30	R24-S28 PolarHBondContact O-N 3.49Å; S28-G30 PolarHBondContact O-N 3.28Å
29	D	47.8	Very low	67.3	Low	161 Å²	161	77.8 Å²	77.8	86%	0.861	41%	0.413	S	S	*	.			trans	-41.1	94.4	165.9	-84.4	-38.6	0	0	0	112.7	E27	E27-D29 PolarHBondContact O-N 3.39Å
30	G	63.6	Low	69.9	Low	36 Å²	36	71.4 Å²	71.4	37%	0.371	38%	0.383	S	S	.	.			trans	67.6	141.3	161.6	0	0	0	0	0	117.3	S28 T32	S28-G30 PolarHBondContact O-N 3.28Å; G30-T32 PolarHBondContact O-N 3.05Å; G30-T32 PolarHBondContact O-OG1 3.45Å
31	W	81.1	Confident	72.2	Confident	58 Å²	58	69.5 Å²	69.5	22%	0.22	37%	0.368	C	S	.	.	S	Bend	trans	-65.5	79.8	160.3	-69.6	-8	0	0	0	110.1	N35 H37 Q158 I161	W31-N35 WeakPolarHBondContact CA-O 3.4Å; W31-H37 AromaticContact CD1-CE1 3.89Å; W31-H37 AromaticContact CD1-ND1 3.35Å; W31-H37 HydrophobicContact CD2-CB 3.79Å; W31-H37 AromaticContact CD2-CG 3.94Å; W31-H37 AromaticContact CD2-ND1 3.63Å; W31-H37 AromaticContact CE2-ND1 3.7Å; W31-H37 HydrophobicContact CE3-CB 3.65Å; W31-H37 HydrophobicContact CG-CB 4.31Å; W31-H37 AromaticContact CG-ND1 3.45Å; W31-H37 HydrophobicContact CH2-CB 4.49Å; W31-H37 HydrophobicContact CZ3-CB 4.01Å; W31-H37 AromaticContact NE1-CE1 3.85Å; W31-H37 AromaticContact NE1-ND1 3.49Å; W31-H37 PolarHBondContact NE1-ND1 3.09Å; W31-Q158 HydrophobicContact CD2-CG 4.24Å; W31-Q158 HydrophobicContact CE3-CB 4.38Å; W31-Q158 HydrophobicContact CE3-CG 3.48Å; W31-Q158 VanDerWaalsContact CE3-CG 3.48Å; W31-Q158 HydrophobicContact CZ3-CB 4.12Å; W31-Q158 HydrophobicContact CZ3-CG 3.7Å; W31-I161 HydrophobicContact CE3-CD1 4.15Å; W31-I161 HydrophobicContact CH2-CB 3.55Å; W31-I161 HydrophobicContact CH2-CD1 3.5Å; W31-I161 HydrophobicContact CH2-CG1 4.06Å; W31-I161 HydrophobicContact CH2-CG2 3.49Å; W31-I161 VanDerWaalsContact CH2-CG2 3.49Å; W31-I161 HydrophobicContact CZ2-CG2 4.22Å; W31-I161 HydrophobicContact CZ3-CB 3.95Å; W31-I161 HydrophobicContact CZ3-CD1 3.24Å; W31-I161 HydrophobicContact CZ3-CG1 4.06Å; W31-I161 HydrophobicContact CZ3-CG2 4.34Å
32	T	87.8	Confident	74.5	Confident	88 Å²	88	64.6 Å²	64.6	54%	0.54	35%	0.347	S	S	.	.			trans	-132.6	155.5	-174.2	64.1	0	0	0	0	110.6	G30 V34 N35 E36	G30-T32 PolarHBondContact O-N 3.05Å; G30-T32 PolarHBondContact O-OG1 3.45Å; T32-V34 PolarHBondContact O-N 3.33Å; T32-N35 CarbonylContact O-C 3.59Å; T32-N35 WeakPolarHBondContact O-CA 3.38Å; T32-N35 WeakPolarHBondContact O-CB 3.49Å; T32-N35 PolarHBondContact O-N 3.17Å; T32-E36 PolarHBondContact O-N 3.5Å
33	G	93.1	Very high	77	Confident	36 Å²	36	60.4 Å²	60.4	37%	0.371	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	55.7	-134.1	-178.5	0	0	0	0	0	111.8	N35 E36 L112	G33-N35 PolarHBondContact O-N 2.99Å; G33-N35 VanDerWaalsContact O-N 3.15Å; G33-E36 WeakPolarHBondContact O-CB 3.47Å; G33-E36 PolarHBondContact O-N 2.62Å; G33-E36 VanDerWaalsContact O-N 3.08Å; G33-L112 WeakPolarHBondContact O-CA 3.49Å
34	V	94.9	Very high	79.8	Confident	63 Å²	63	58.4 Å²	58.4	38%	0.382	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-66.5	-11.5	178	-59.4	0	0	0	0	114	T32 Q110 L112 Y182	T32-V34 PolarHBondContact O-N 3.33Å; V34-Q110 PolarHBondContact O-NE2 2.82Å; V34-L112 HydrophobicContact CG1-CB 4.31Å; V34-Y182 HydrophobicContact CG1-CD1 3.78Å; V34-Y182 HydrophobicContact CG1-CD2 4.23Å; V34-Y182 HydrophobicContact CG1-CE1 3.92Å; V34-Y182 HydrophobicContact CG1-CE2 4.36Å; V34-Y182 HydrophobicContact CG1-CG 3.94Å
35	N	94.7	Very high	82.3	Confident	79 Å²	79	51.5 Å²	51.5	42%	0.422	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-98.8	6.5	175.8	-62.1	-40.8	0	0	0	112.8	W31 T32 G33 H37 Q110	W31-N35 WeakPolarHBondContact CA-O 3.4Å; T32-N35 CarbonylContact O-C 3.59Å; T32-N35 WeakPolarHBondContact O-CA 3.38Å; T32-N35 WeakPolarHBondContact O-CB 3.49Å; T32-N35 PolarHBondContact O-N 3.17Å; G33-N35 PolarHBondContact O-N 2.99Å; G33-N35 VanDerWaalsContact O-N 3.15Å; N35-H37 PolarHBondContact O-CE1 2.91Å; N35-H37 VanDerWaalsContact O-CE1 3.23Å; N35-H37 PolarHBondContact O-ND1 2.99Å; N35-Q110 PolarHBondContact OD1-NE2 3.34Å; N35-Q110 VanDerWaalsContact OD1-NE2 3.16Å
36	E	98.1	Very high	84.7	Confident	20 Å²	20	48.3 Å²	48.3	9%	0.093	27%	0.269	C	S	.	.			trans	-61.6	143.4	170.2	-172.9	-178.3	110.6	0	0	110.5	T32 G33 Q110 G111 D113 V114 V115 V154	T32-E36 PolarHBondContact O-N 3.5Å; G33-E36 WeakPolarHBondContact O-CB 3.47Å; G33-E36 PolarHBondContact O-N 2.62Å; G33-E36 VanDerWaalsContact O-N 3.08Å; E36-Q110 CarbonylContact O-C 3.57Å; E36-Q110 VanDerWaalsContact O-CA 3.26Å; E36-Q110 WeakPolarHBondContact O-CA 3.13Å; E36-Q110 VanDerWaalsContact O-CG 3.27Å; E36-Q110 WeakPolarHBondContact O-CG 3.42Å; E36-G111 PolarHBondContact O-N 3.19Å; E36-D113 WeakPolarHBondContact OE1-CA 3.08Å; E36-V114 HydrophobicContact CB-CG1 4.16Å; E36-V114 HydrophobicContact CG-CG1 3.95Å; E36-V114 VanDerWaalsContact O-CG1 3.23Å; E36-V114 WeakPolarHBondContact O-CG1 3.35Å; E36-V114 PolarHBondContact OE1-N 3.12Å; E36-V115 HydrophobicContact CG-CG2 4.19Å; E36-V115 WeakPolarHBondContact OE1-CB 3.32Å; E36-V115 WeakPolarHBondContact OE1-CG2 3.42Å; E36-V115 PolarHBondContact OE1-N 3.39Å; E36-V154 HydrophobicContact CG-CG2 4.31Å
37	H	98.4	Very high	87.3	Confident	20 Å²	20	40.9 Å²	40.9	9%	0.093	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	149	178.3	-65.9	78.1	0	0	0	111.5	W31 N35 V108 W109 Q110 V115 A157 I161	W31-H37 AromaticContact CD1-CE1 3.89Å; W31-H37 AromaticContact CD1-ND1 3.35Å; W31-H37 HydrophobicContact CD2-CB 3.79Å; W31-H37 AromaticContact CD2-CG 3.94Å; W31-H37 AromaticContact CD2-ND1 3.63Å; W31-H37 AromaticContact CE2-ND1 3.7Å; W31-H37 HydrophobicContact CE3-CB 3.65Å; W31-H37 HydrophobicContact CG-CB 4.31Å; W31-H37 AromaticContact CG-ND1 3.45Å; W31-H37 HydrophobicContact CH2-CB 4.49Å; W31-H37 HydrophobicContact CZ3-CB 4.01Å; W31-H37 AromaticContact NE1-CE1 3.85Å; W31-H37 AromaticContact NE1-ND1 3.49Å; W31-H37 PolarHBondContact NE1-ND1 3.09Å; N35-H37 PolarHBondContact O-CE1 2.91Å; N35-H37 VanDerWaalsContact O-CE1 3.23Å; N35-H37 PolarHBondContact O-ND1 2.99Å; H37-V108 HydrophobicContact CB-CG1 4.2Å; H37-W109 CarbonylContact C-O 3.57Å; H37-W109 VanDerWaalsContact CA-O 3.26Å; H37-W109 WeakPolarHBondContact CA-O 3.36Å; H37-Q110 PolarHBondContact CE1-OE1 3.39Å; H37-Q110 WeakPolarHBondContact NE2-CG 3.37Å; H37-Q110 PolarHBondContact NE2-OE1 3.32Å; H37-Q110 VanDerWaalsContact NE2-OE1 3.12Å; H37-V115 VanDerWaalsContact O-CG2 3.3Å; H37-V115 WeakPolarHBondContact O-CG2 3.44Å; H37-A157 VanDerWaalsContact O-CB 3.29Å; H37-A157 WeakPolarHBondContact O-CB 3.36Å; H37-I161 HydrophobicContact CB-CD1 3.71Å
38	S	98.7	Very high	89.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	140	172.5	-169.1	0	0	0	0	111	V108 W109	S38-V108 WeakPolarHBondContact O-CA 3.28Å; S38-W109 PolarHBondContact N-O 2.94Å; S38-W109 PolarHBondContact O-N 2.84Å
39	F	98.9	Very high	92.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	126.8	168.2	173.9	-99.5	0	0	0	109.6	A41 H82 A106 H149 G150 S151 E160 I161 W164 F165	F39-A41 HydrophobicContact CE1-CB 3.73Å; F39-A41 HydrophobicContact CZ-CB 3.76Å; F39-H82 AromaticContact CE1-CE1 3.81Å; F39-A106 HydrophobicContact CE2-CB 3.92Å; F39-A106 HydrophobicContact CZ-CB 4.25Å; F39-H149 AromaticContact CD1-CD2 3.62Å; F39-H149 AromaticContact CD1-NE2 3.92Å; F39-H149 AromaticContact CE1-CD2 3.68Å; F39-G150 WeakPolarHBondContact O-CA 3.43Å; F39-S151 WeakPolarHBondContact CB-OG 3.41Å; F39-S151 PolarHBondContact N-OG 3.14Å; F39-S151 PolarHBondContact O-N 3.28Å; F39-S151 PolarHBondContact O-OG 2.94Å; F39-E160 HydrophobicContact CB-CB 3.8Å; F39-E160 HydrophobicContact CD1-CB 3.99Å; F39-E160 VanDerWaalsContact CD1-OE2 3.32Å; F39-E160 WeakPolarHBondContact CD1-OE2 3.36Å; F39-E160 HydrophobicContact CG-CB 3.95Å; F39-I161 HydrophobicContact CB-CD1 4.48Å; F39-I161 HydrophobicContact CB-CG1 3.75Å; F39-W164 HydrophobicContact CD2-CB 4.18Å; F39-W164 HydrophobicContact CD2-CG 4.24Å; F39-W164 HydrophobicContact CE1-CD2 4.47Å; F39-W164 HydrophobicContact CE1-CG 4.44Å; F39-W164 AromaticContact CE1-NE1 3.92Å; F39-W164 HydrophobicContact CE2-CB 3.56Å; F39-W164 AromaticContact CE2-CD1 3.73Å; F39-W164 AromaticContact CE2-CD2 3.72Å; F39-W164 HydrophobicContact CE2-CD2 3.72Å; F39-W164 HydrophobicContact CE2-CE3 4.28Å; F39-W164 AromaticContact CE2-CG 3.38Å; F39-W164 HydrophobicContact CE2-CG 3.38Å; F39-W164 HydrophobicContact CZ-CB 4.21Å; F39-W164 AromaticContact CZ-CD1 3.59Å; F39-W164 AromaticContact CZ-CD2 3.44Å; F39-W164 HydrophobicContact CZ-CD2 3.44Å; F39-W164 VanDerWaalsContact CZ-CD2 3.44Å; F39-W164 AromaticContact CZ-CE2 3.52Å; F39-W164 HydrophobicContact CZ-CE3 4.05Å; F39-W164 AromaticContact CZ-CG 3.51Å; F39-W164 HydrophobicContact CZ-CG 3.51Å; F39-W164 HydrophobicContact CZ-CZ2 4.17Å; F39-W164 AromaticContact CZ-NE1 3.58Å; F39-F165 HydrophobicContact CD2-CE2 4.09Å; F39-F165 AromaticContact CE2-CE2 3.97Å; F39-F165 HydrophobicContact CE2-CE2 3.97Å
40	I	98.9	Very high	95	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.8	175.4	-54.9	-60.7	0	0	0	108.4	F59 M107 L122 I148 H149	I40-F59 HydrophobicContact CD1-CE1 4Å; I40-F59 HydrophobicContact CD1-CZ 3.87Å; I40-F59 HydrophobicContact CG1-CE1 3.77Å; I40-F59 HydrophobicContact CG1-CZ 3.83Å; I40-F59 HydrophobicContact CG2-CE2 4.41Å; I40-F59 HydrophobicContact CG2-CZ 4.09Å; I40-M107 HydrophobicContact CB-CB 4.46Å; I40-M107 HydrophobicContact CB-CE 4.18Å; I40-M107 HydrophobicContact CG2-CE 3.71Å; I40-M107 PolarHBondContact N-O 3.4Å; I40-M107 WeakPolarHBondContact O-CA 3.29Å; I40-M107 PolarHBondContact O-N 3.15Å; I40-L122 HydrophobicContact CD1-CD1 4.45Å; I40-I148 HydrophobicContact CG2-CD1 3.77Å; I40-I148 HydrophobicContact CG2-CG1 3.98Å; I40-H149 WeakPolarHBondContact CA-O 3.34Å
41	A	98.9	Very high	96.7	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.008	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	121.8	174.7	0	0	0	0	0	111.7	F39 K43 I104 V105 I148 H149	F39-A41 HydrophobicContact CE1-CB 3.73Å; F39-A41 HydrophobicContact CZ-CB 3.76Å; A41-K43 PolarHBondContact O-N 3.45Å; A41-I104 HydrophobicContact CB-CG2 3.88Å; A41-V105 CarbonylContact C-O 3.57Å; A41-V105 WeakPolarHBondContact CA-O 3.36Å; A41-I148 CarbonylContact O-C 3.52Å; A41-I148 WeakPolarHBondContact O-CA 3.31Å; A41-H149 HydrophobicContact CB-CB 4.28Å; A41-H149 PolarHBondContact N-O 2.89Å; A41-H149 PolarHBondContact O-N 2.96Å
42	V	98.9	Very high	97.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	114.5	165.7	-172.8	0	0	0	0	107.7	V47 V52 I55 I104 V105 M107	V42-V47 HydrophobicContact CB-CG2 4.47Å; V42-V47 HydrophobicContact CG1-CG2 4.1Å; V42-V52 HydrophobicContact CG1-CG2 4.24Å; V42-I55 HydrophobicContact CB-CD1 4.38Å; V42-I55 HydrophobicContact CG1-CD1 3.8Å; V42-I55 HydrophobicContact CG2-CB 4.31Å; V42-I55 HydrophobicContact CG2-CD1 3.74Å; V42-I55 HydrophobicContact CG2-CG2 4.01Å; V42-I104 WeakPolarHBondContact O-CA 3.29Å; V42-I104 WeakPolarHBondContact O-CG2 3.35Å; V42-V105 HydrophobicContact CB-CB 4.09Å; V42-V105 HydrophobicContact CG2-CB 4.31Å; V42-V105 PolarHBondContact N-O 3.47Å; V42-V105 PolarHBondContact O-N 3.39Å; V42-M107 HydrophobicContact CG2-CE 3.81Å
43	K	98.8	Very high	98.1	Very high	20 Å²	20	38.4 Å²	38.4	9%	0.087	20%	0.199	C	C	.	.			trans	-69.6	167.4	-176.5	-60.9	-173.2	176	-178.6	0	111.5	A41 D45 G46 V47 M99 N146 V147	A41-K43 PolarHBondContact O-N 3.45Å; K43-D45 VanDerWaalsContact C-N 3.27Å; K43-D45 WeakPolarHBondContact CB-OD1 3.27Å; K43-D45 PolarHBondContact O-N 3.01Å; K43-G46 WeakPolarHBondContact O-CA 3.36Å; K43-G46 PolarHBondContact O-N 3.16Å; K43-V47 PolarHBondContact O-N 2.95Å; K43-V47 VanDerWaalsContact O-N 3.11Å; K43-M99 HydrophobicContact CB-SD 3.9Å; K43-M99 HydrophobicContact CD-SD 3.67Å; K43-M99 HydrophobicContact CG-CE 4.01Å; K43-M99 HydrophobicContact CG-SD 3.53Å; K43-M99 VanDerWaalsContact CG-SD 3.53Å; K43-N146 PolarHBondContact NZ-OD1 3.44Å; K43-V147 WeakPolarHBondContact CB-O 3.42Å; K43-V147 PolarHBondContact N-O 3.12Å
44	P	98.8	Very high	98.3	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-54.6	-41	-177.1	-28.9	38.3	0	0	0	113.9	G46 V47 H48 P103 I104	P44-G46 VanDerWaalsContact C-N 3.33Å; P44-G46 PolarHBondContact O-N 2.91Å; P44-V47 PolarHBondContact O-N 2.78Å; P44-H48 WeakPolarHBondContact O-CB 3.4Å; P44-H48 PolarHBondContact O-CD2 2.91Å; P44-H48 PolarHBondContact O-N 2.78Å; P44-P103 WeakPolarHBondContact CA-O 3.48Å; P44-I104 HydrophobicContact CG-CG1 3.99Å
45	D	98.6	Very high	98.5	Very high	16 Å²	16	36.5 Å²	36.5	9%	0.086	18%	0.177	C	C	.	.	H	α-helix	trans	-61.2	-38.5	175.6	57.9	-42.9	0	0	0	112.7	K43 R49 R145 V147	K43-D45 VanDerWaalsContact C-N 3.27Å; K43-D45 WeakPolarHBondContact CB-OD1 3.27Å; K43-D45 PolarHBondContact O-N 3.01Å; D45-R49 VanDerWaalsContact O-CB 3.26Å; D45-R49 WeakPolarHBondContact O-CB 3.43Å; D45-R49 WeakPolarHBondContact O-CD 3.26Å; D45-R49 WeakPolarHBondContact O-CG 3.26Å; D45-R49 PolarHBondContact O-N 3.33Å; D45-R145 VanDerWaalsContact OD2-CA 3.23Å; D45-R145 WeakPolarHBondContact OD2-CA 3.23Å; D45-V147 WeakPolarHBondContact OD2-CA 3.39Å; D45-V147 PolarHBondContact OD2-N 2.78Å
46	G	98.8	Very high	98.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.8	-41.7	173.3	0	0	0	0	0	113.3	K43 P44 R49 R50 L51	K43-G46 WeakPolarHBondContact O-CA 3.36Å; K43-G46 PolarHBondContact O-N 3.16Å; P44-G46 VanDerWaalsContact C-N 3.33Å; P44-G46 PolarHBondContact O-N 2.91Å; G46-R49 PolarHBondContact O-N 3.18Å; G46-R50 PolarHBondContact O-N 3.23Å; G46-L51 PolarHBondContact O-N 3.48Å
47	V	98.8	Very high	98.8	Very high	16 Å²	16	36.6 Å²	36.6	10%	0.097	18%	0.175	C	C	.	.	H	α-helix	trans	-68.7	-45.5	178.2	-179.3	0	0	0	0	111.5	V42 K43 P44 R49 R50 V52 L71 P103 V105	V42-V47 HydrophobicContact CB-CG2 4.47Å; V42-V47 HydrophobicContact CG1-CG2 4.1Å; K43-V47 PolarHBondContact O-N 2.95Å; K43-V47 VanDerWaalsContact O-N 3.11Å; P44-V47 PolarHBondContact O-N 2.78Å; V47-R49 PolarHBondContact O-N 3.48Å; V47-R50 PolarHBondContact O-N 3.36Å; V47-R50 VanDerWaalsContact O-N 3.08Å; V47-R50 PolarHBondContact O-NH1 3.44Å; V47-V52 HydrophobicContact CB-CG2 4.44Å; V47-V52 HydrophobicContact CG2-CG2 3.98Å; V47-L71 HydrophobicContact CG1-CD1 4.41Å; V47-P103 HydrophobicContact CG1-CG 3.92Å; V47-P103 WeakPolarHBondContact CG2-O 3.33Å; V47-V105 HydrophobicContact CG2-CG2 4.01Å
48	H	98.6	Very high	98.8	Very high	113 Å²	113	38 Å²	38	52%	0.523	18%	0.18	S	C	.	.	H	α-helix	trans	-61.4	-34.1	176.8	-81.7	-69.3	0	0	0	112.4	P44 R50	P44-H48 WeakPolarHBondContact O-CB 3.4Å; P44-H48 PolarHBondContact O-CD2 2.91Å; P44-H48 PolarHBondContact O-N 2.78Å; H48-R50 VanDerWaalsContact C-N 3.27Å; H48-R50 PolarHBondContact O-N 3.21Å
49	R	98.6	Very high	98.8	Very high	121 Å²	121	38 Å²	38	46%	0.457	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	6.3	177.4	-66.9	172.5	63.8	-156.4	-1.5	114.3	D45 G46 V47 L51 Y139 V147	D45-R49 VanDerWaalsContact O-CB 3.26Å; D45-R49 WeakPolarHBondContact O-CB 3.43Å; D45-R49 WeakPolarHBondContact O-CD 3.26Å; D45-R49 WeakPolarHBondContact O-CG 3.26Å; D45-R49 PolarHBondContact O-N 3.33Å; G46-R49 PolarHBondContact O-N 3.18Å; V47-R49 PolarHBondContact O-N 3.48Å; R49-L51 VanDerWaalsContact C-N 3.26Å; R49-L51 HydrophobicContact CB-CD1 4.11Å; R49-L51 HydrophobicContact CB-CG 4.03Å; R49-L51 PolarHBondContact O-N 2.89Å; R49-Y139 PolarHBondContact NH1-O 3.25Å; R49-Y139 PolarHBondContact NH2-O 3.11Å; R49-V147 VanDerWaalsContact NH1-CG2 3.27Å
50	R	98.7	Very high	98.8	Very high	197 Å²	197	43.2 Å²	43.2	74%	0.743	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	30.6	177.3	-45.7	-56	-178.1	-154.4	4.3	113.9	G46 V47 H48	G46-R50 PolarHBondContact O-N 3.23Å; V47-R50 PolarHBondContact O-N 3.36Å; V47-R50 VanDerWaalsContact O-N 3.08Å; V47-R50 PolarHBondContact O-NH1 3.44Å; H48-R50 VanDerWaalsContact C-N 3.27Å; H48-R50 PolarHBondContact O-N 3.21Å
51	L	98.9	Very high	98.7	Very high	20 Å²	20	50.7 Å²	50.7	11%	0.105	24%	0.236	C	C	.	.			trans	-88.4	0.6	-177.9	-63	176.3	0	0	0	114	G46 R49 G53 E54 I55 Y139 V147	G46-L51 PolarHBondContact O-N 3.48Å; R49-L51 VanDerWaalsContact C-N 3.26Å; R49-L51 HydrophobicContact CB-CD1 4.11Å; R49-L51 HydrophobicContact CB-CG 4.03Å; R49-L51 PolarHBondContact O-N 2.89Å; L51-G53 PolarHBondContact O-N 3.19Å; L51-E54 PolarHBondContact O-N 3.18Å; L51-I55 HydrophobicContact CB-CD1 4.15Å; L51-I55 WeakPolarHBondContact O-CG1 3.23Å; L51-I55 PolarHBondContact O-N 2.95Å; L51-Y139 HydrophobicContact CD1-CG 4.16Å; L51-Y139 HydrophobicContact CD2-CD1 4.19Å; L51-Y139 HydrophobicContact CD2-CE1 4.45Å; L51-Y139 HydrophobicContact CD2-CG 4.33Å; L51-V147 HydrophobicContact CD1-CG1 3.95Å; L51-V147 HydrophobicContact CD1-CG2 3.98Å
52	V	98.9	Very high	98.7	Very high	34 Å²	34	56 Å²	56	21%	0.206	26%	0.259	C	S	.	.	H	α-helix	trans	-57.3	-53.2	-175.8	176.2	0	0	0	0	111.9	V42 V47 E54 I55 I56 V105	V42-V52 HydrophobicContact CG1-CG2 4.24Å; V47-V52 HydrophobicContact CB-CG2 4.44Å; V47-V52 HydrophobicContact CG2-CG2 3.98Å; V52-E54 VanDerWaalsContact C-N 3.33Å; V52-E54 PolarHBondContact O-N 3.17Å; V52-I55 PolarHBondContact O-N 3.2Å; V52-I56 HydrophobicContact CG1-CD1 3.74Å; V52-I56 WeakPolarHBondContact O-CG1 3.42Å; V52-I56 PolarHBondContact O-N 3.13Å; V52-V105 HydrophobicContact CG1-CB 4.47Å; V52-V105 HydrophobicContact CG1-CG1 4.32Å; V52-V105 HydrophobicContact CG1-CG2 3.94Å; V52-V105 HydrophobicContact CG2-CG2 3.79Å
53	G	98.8	Very high	98.7	Very high	49 Å²	49	56.5 Å²	56.5	51%	0.505	27%	0.265	S	S	.	.	H	α-helix	trans	-64.8	-37.8	-178.2	0	0	0	0	0	112.8	L51 I56 Q57	L51-G53 PolarHBondContact O-N 3.19Å; G53-I56 PolarHBondContact O-N 3.49Å; G53-Q57 VanDerWaalsContact O-CB 3.23Å; G53-Q57 WeakPolarHBondContact O-CB 3.27Å; G53-Q57 PolarHBondContact O-N 3.35Å
54	E	98.8	Very high	98.6	Very high	60 Å²	60	56.4 Å²	56.4	28%	0.28	26%	0.264	S	S	.	.	H	α-helix	trans	-63.4	-44.1	176.4	174.9	57.4	-153.2	0	0	111.8	L51 V52 Q57 R58 Y139	L51-E54 PolarHBondContact O-N 3.18Å; V52-E54 VanDerWaalsContact C-N 3.33Å; V52-E54 PolarHBondContact O-N 3.17Å; E54-Q57 PolarHBondContact O-N 3.48Å; E54-R58 WeakPolarHBondContact O-CG 3.48Å; E54-R58 PolarHBondContact O-N 3.27Å; E54-R58 IonicContact OE1-CZ 3.9Å; E54-R58 IonicContact OE1-NE 3.97Å; E54-R58 PolarHBondContact OE1-NE 3.31Å; E54-R58 IonicContact OE1-NH2 3.77Å; E54-R58 PolarHBondContact OE1-NH2 2.9Å; E54-Y139 HydrophobicContact CG-CE2 3.65Å; E54-Y139 WeakPolarHBondContact CG-OH 3.48Å; E54-Y139 PolarHBondContact OE1-OH 2.89Å
55	I	98.8	Very high	98.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.3	-50.7	176.6	-70.4	163.9	0	0	0	110.2	V42 L51 V52 Q57 R58 F59 M107 I135 V147 I148	V42-I55 HydrophobicContact CB-CD1 4.38Å; V42-I55 HydrophobicContact CG1-CD1 3.8Å; V42-I55 HydrophobicContact CG2-CB 4.31Å; V42-I55 HydrophobicContact CG2-CD1 3.74Å; V42-I55 HydrophobicContact CG2-CG2 4.01Å; L51-I55 HydrophobicContact CB-CD1 4.15Å; L51-I55 WeakPolarHBondContact O-CG1 3.23Å; L51-I55 PolarHBondContact O-N 2.95Å; V52-I55 PolarHBondContact O-N 3.2Å; I55-Q57 VanDerWaalsContact C-N 3.29Å; I55-Q57 PolarHBondContact O-N 2.94Å; I55-R58 PolarHBondContact O-N 3.44Å; I55-R58 VanDerWaalsContact O-N 3.13Å; I55-F59 HydrophobicContact CG2-CD2 4.36Å; I55-F59 HydrophobicContact CG2-CE2 4.18Å; I55-F59 WeakPolarHBondContact O-CD2 3.48Å; I55-F59 PolarHBondContact O-N 3.42Å; I55-M107 HydrophobicContact CG2-CE 4.34Å; I55-I135 HydrophobicContact CD1-CG2 4.43Å; I55-I135 HydrophobicContact CG1-CG2 4.16Å; I55-I135 HydrophobicContact CG2-CD1 4.4Å; I55-V147 HydrophobicContact CD1-CG1 3.68Å; I55-I148 HydrophobicContact CD1-CD1 4.23Å; I55-I148 HydrophobicContact CG1-CD1 4.41Å; I55-I148 HydrophobicContact CG2-CD1 3.51Å
56	I	98.9	Very high	98.6	Very high	22 Å²	22	59.5 Å²	59.5	11%	0.113	28%	0.278	C	S	.	.	H	α-helix	trans	-55.5	-47.9	178.6	-70.6	169.1	0	0	0	110.2	V52 G53 R58 F59 E60 M69 M107 W109	V52-I56 HydrophobicContact CG1-CD1 3.74Å; V52-I56 WeakPolarHBondContact O-CG1 3.42Å; V52-I56 PolarHBondContact O-N 3.13Å; G53-I56 PolarHBondContact O-N 3.49Å; I56-R58 PolarHBondContact O-N 3.48Å; I56-F59 PolarHBondContact O-N 3Å; I56-E60 HydrophobicContact CG2-CG 3.98Å; I56-E60 WeakPolarHBondContact O-CG 3.41Å; I56-E60 PolarHBondContact O-N 2.87Å; I56-M69 HydrophobicContact CD1-SD 3.71Å; I56-M107 HydrophobicContact CD1-SD 4.15Å; I56-M107 HydrophobicContact CG1-SD 3.63Å; I56-W109 HydrophobicContact CG2-CH2 4.17Å; I56-W109 HydrophobicContact CG2-CZ2 4.2Å
57	Q	98.8	Very high	98.6	Very high	78 Å²	78	59.8 Å²	59.8	36%	0.364	28%	0.279	S	S	.	.	H	α-helix	trans	-57	-37.4	-179.4	-176.4	-177.9	92	0	0	112.4	G53 E54 I55 F59 E60 K61	G53-Q57 VanDerWaalsContact O-CB 3.23Å; G53-Q57 WeakPolarHBondContact O-CB 3.27Å; G53-Q57 PolarHBondContact O-N 3.35Å; E54-Q57 PolarHBondContact O-N 3.48Å; I55-Q57 VanDerWaalsContact C-N 3.29Å; I55-Q57 PolarHBondContact O-N 2.94Å; Q57-F59 VanDerWaalsContact C-N 3.33Å; Q57-F59 PolarHBondContact O-N 3.47Å; Q57-E60 PolarHBondContact O-N 3.49Å; Q57-K61 VanDerWaalsContact CD-NZ 3.27Å; Q57-K61 HydrophobicContact CG-CD 3.83Å; Q57-K61 HydrophobicContact CG-CG 4.13Å; Q57-K61 VanDerWaalsContact O-CB 3.27Å; Q57-K61 WeakPolarHBondContact O-CB 3.49Å; Q57-K61 VanDerWaalsContact O-CG 3.31Å; Q57-K61 WeakPolarHBondContact O-CG 3.24Å; Q57-K61 PolarHBondContact O-N 3.05Å
58	R	98.8	Very high	98.6	Very high	50 Å²	50	59.3 Å²	59.3	19%	0.189	28%	0.278	C	S	.	.	H	α-helix	trans	-64.4	-37.1	177.6	-71.8	-179.1	-178.1	-144.9	1.3	112.3	E54 I55 I56 K62 M121 G133 D138 Y139	E54-R58 WeakPolarHBondContact O-CG 3.48Å; E54-R58 PolarHBondContact O-N 3.27Å; E54-R58 IonicContact OE1-CZ 3.9Å; E54-R58 IonicContact OE1-NE 3.97Å; E54-R58 PolarHBondContact OE1-NE 3.31Å; E54-R58 IonicContact OE1-NH2 3.77Å; E54-R58 PolarHBondContact OE1-NH2 2.9Å; I55-R58 PolarHBondContact O-N 3.44Å; I55-R58 VanDerWaalsContact O-N 3.13Å; I56-R58 PolarHBondContact O-N 3.48Å; R58-K62 WeakPolarHBondContact O-CB 3.46Å; R58-K62 PolarHBondContact O-N 3.39Å; R58-M121 HydrophobicContact CB-CE 4.18Å; R58-M121 WeakPolarHBondContact O-CE 3.3Å; R58-G133 PolarHBondContact NH1-O 2.96Å; R58-D138 IonicContact CZ-OD2 3.16Å; R58-D138 VanDerWaalsContact CZ-OD2 3.24Å; R58-D138 IonicContact NH1-OD2 3.71Å; R58-D138 PolarHBondContact NH1-OD2 3.32Å; R58-D138 IonicContact NH2-OD2 3.89Å; R58-D138 PolarHBondContact NH2-OD2 3.47Å; R58-Y139 VanDerWaalsContact NH2-CE2 3.27Å; R58-Y139 VanDerWaalsContact NH2-CZ 3.26Å; R58-Y139 PolarHBondContact NH2-OH 3.23Å
59	F	98.8	Very high	98.6	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-73.8	-43.3	176.1	-78.2	-103.8	0	0	0	111.9	I40 I55 I56 Q57 K62 G63 F64 W109 S118 M121 L122 I135 I148	I40-F59 HydrophobicContact CD1-CE1 4Å; I40-F59 HydrophobicContact CD1-CZ 3.87Å; I40-F59 HydrophobicContact CG1-CE1 3.77Å; I40-F59 HydrophobicContact CG1-CZ 3.83Å; I40-F59 HydrophobicContact CG2-CE2 4.41Å; I40-F59 HydrophobicContact CG2-CZ 4.09Å; I55-F59 HydrophobicContact CG2-CD2 4.36Å; I55-F59 HydrophobicContact CG2-CE2 4.18Å; I55-F59 WeakPolarHBondContact O-CD2 3.48Å; I55-F59 PolarHBondContact O-N 3.42Å; I56-F59 PolarHBondContact O-N 3Å; Q57-F59 VanDerWaalsContact C-N 3.33Å; Q57-F59 PolarHBondContact O-N 3.47Å; F59-K62 WeakPolarHBondContact O-CB 3.42Å; F59-K62 PolarHBondContact O-N 2.81Å; F59-K62 VanDerWaalsContact O-N 3.17Å; F59-G63 PolarHBondContact O-N 3.32Å; F59-F64 AromaticContact CD1-CD2 3.9Å; F59-F64 HydrophobicContact CD1-CD2 3.9Å; F59-F64 PolarHBondContact O-N 2.98Å; F59-W109 HydrophobicContact CB-CD2 3.74Å; F59-W109 HydrophobicContact CB-CE3 3.79Å; F59-W109 HydrophobicContact CB-CH2 3.59Å; F59-W109 HydrophobicContact CB-CZ2 3.52Å; F59-W109 HydrophobicContact CB-CZ3 3.71Å; F59-W109 HydrophobicContact CD1-CB 4.27Å; F59-W109 AromaticContact CD1-CD1 3.83Å; F59-W109 AromaticContact CD1-CD2 3.76Å; F59-W109 HydrophobicContact CD1-CD2 3.76Å; F59-W109 AromaticContact CD1-CE2 3.95Å; F59-W109 HydrophobicContact CD1-CE3 4.38Å; F59-W109 AromaticContact CD1-CG 3.68Å; F59-W109 HydrophobicContact CD1-CG 3.68Å; F59-W109 AromaticContact CD1-NE1 3.96Å; F59-W109 HydrophobicContact CE1-CG 4.21Å; F59-W109 HydrophobicContact CG-CD2 4.02Å; F59-W109 AromaticContact CG-CE2 3.82Å; F59-W109 HydrophobicContact CG-CG 4.35Å; F59-W109 HydrophobicContact CG-CZ2 4.17Å; F59-S118 VanDerWaalsContact CE1-OG 3.3Å; F59-S118 WeakPolarHBondContact CE1-OG 3.47Å; F59-M121 HydrophobicContact CD1-CE 4.49Å; F59-M121 HydrophobicContact CD2-CE 4.12Å; F59-M121 HydrophobicContact CE2-CE 4.36Å; F59-M121 HydrophobicContact CG-CE 4.19Å; F59-L122 HydrophobicContact CE2-CD1 4.22Å; F59-L122 HydrophobicContact CZ-CD1 3.74Å; F59-I135 HydrophobicContact CE2-CD1 3.99Å; F59-I148 HydrophobicContact CE2-CD1 4.46Å
60	E	98.7	Very high	98.6	Very high	110 Å²	110	55.2 Å²	55.2	51%	0.514	27%	0.265	S	S	.	.	H	α-helix	trans	-60.4	-49.3	176.1	-66	179.3	140.7	0	0	111.4	I56 Q57 K62 G63 W109	I56-E60 HydrophobicContact CG2-CG 3.98Å; I56-E60 WeakPolarHBondContact O-CG 3.41Å; I56-E60 PolarHBondContact O-N 2.87Å; Q57-E60 PolarHBondContact O-N 3.49Å; E60-K62 PolarHBondContact O-N 2.86Å; E60-G63 PolarHBondContact O-N 3.46Å; E60-W109 HydrophobicContact CG-CH2 3.71Å; E60-W109 HydrophobicContact CG-CZ3 4.16Å
61	K	98.3	Very high	98.6	Very high	157 Å²	157	51.5 Å²	51.5	68%	0.683	26%	0.259	S	S	*	.	H	α-helix	trans	-63.3	-22.7	178.1	-75.9	-179.8	174.9	169.6	0	113.2	Q57 G63	Q57-K61 VanDerWaalsContact CD-NZ 3.27Å; Q57-K61 HydrophobicContact CG-CD 3.83Å; Q57-K61 HydrophobicContact CG-CG 4.13Å; Q57-K61 VanDerWaalsContact O-CB 3.27Å; Q57-K61 WeakPolarHBondContact O-CB 3.49Å; Q57-K61 VanDerWaalsContact O-CG 3.31Å; Q57-K61 WeakPolarHBondContact O-CG 3.24Å; Q57-K61 PolarHBondContact O-N 3.05Å; K61-G63 VanDerWaalsContact C-N 3.27Å
62	K	97.9	Very high	98.6	Very high	111 Å²	111	52.3 Å²	52.3	48%	0.483	26%	0.264	S	S	.	.	H	α-helix	trans	-74.7	-19.9	175.1	-173.8	58.3	178.2	171.7	0	112.2	R58 F59 E60 F64 M121	R58-K62 WeakPolarHBondContact O-CB 3.46Å; R58-K62 PolarHBondContact O-N 3.39Å; F59-K62 WeakPolarHBondContact O-CB 3.42Å; F59-K62 PolarHBondContact O-N 2.81Å; F59-K62 VanDerWaalsContact O-N 3.17Å; E60-K62 PolarHBondContact O-N 2.86Å; K62-F64 HydrophobicContact CB-CD2 4.08Å; K62-F64 HydrophobicContact CB-CE2 4.26Å; K62-F64 HydrophobicContact CG-CD2 3.86Å; K62-F64 HydrophobicContact CG-CE2 3.55Å; K62-F64 HydrophobicContact CG-CZ 4.02Å; K62-M121 HydrophobicContact CB-CE 4.17Å; K62-M121 HydrophobicContact CB-SD 4.22Å; K62-M121 HydrophobicContact CD-SD 4.41Å; K62-M121 HydrophobicContact CG-CE 4.46Å; K62-M121 HydrophobicContact CG-SD 3.85Å
63	G	98.1	Very high	98.6	Very high	12 Å²	12	56.1 Å²	56.1	12%	0.124	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.9	14.5	-174.6	0	0	0	0	0	113.8	F59 E60 K61	F59-G63 PolarHBondContact O-N 3.32Å; E60-G63 PolarHBondContact O-N 3.46Å; K61-G63 VanDerWaalsContact C-N 3.27Å
64	F	98.4	Very high	98.5	Very high	17 Å²	17	54.1 Å²	54.1	8%	0.075	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-79.1	145.2	171.7	-66	-46.2	0	0	0	110.9	F59 K62 W109 V114 M117 M121	F59-F64 AromaticContact CD1-CD2 3.9Å; F59-F64 HydrophobicContact CD1-CD2 3.9Å; F59-F64 PolarHBondContact O-N 2.98Å; K62-F64 HydrophobicContact CB-CD2 4.08Å; K62-F64 HydrophobicContact CB-CE2 4.26Å; K62-F64 HydrophobicContact CG-CD2 3.86Å; K62-F64 HydrophobicContact CG-CE2 3.55Å; K62-F64 HydrophobicContact CG-CZ 4.02Å; F64-W109 HydrophobicContact CB-CE3 3.75Å; F64-W109 HydrophobicContact CB-CZ3 4.44Å; F64-W109 WeakPolarHBondContact O-CZ3 3.35Å; F64-V114 HydrophobicContact CD1-CB 4.09Å; F64-V114 HydrophobicContact CD1-CG2 3.77Å; F64-V114 HydrophobicContact CD2-CG2 4.09Å; F64-V114 HydrophobicContact CE1-CB 3.87Å; F64-V114 HydrophobicContact CE1-CG2 3.88Å; F64-V114 HydrophobicContact CE2-CG2 4.16Å; F64-V114 HydrophobicContact CG-CG2 3.9Å; F64-V114 HydrophobicContact CZ-CB 4.28Å; F64-V114 HydrophobicContact CZ-CG2 4.08Å; F64-M117 HydrophobicContact CE2-CB 4.2Å; F64-M117 HydrophobicContact CZ-CB 3.63Å; F64-M117 HydrophobicContact CZ-CG 4.4Å; F64-M121 HydrophobicContact CD2-SD 4.42Å; F64-M121 HydrophobicContact CE2-SD 3.82Å
65	R	98.3	Very high	98.5	Very high	42 Å²	42	54.3 Å²	54.3	16%	0.158	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	124.1	-177.8	-173.3	168.8	72.7	-179	5.9	110.7	V67 W109 Q110 W173	R65-V67 HydrophobicContact CG-CG1 4.18Å; R65-V67 PolarHBondContact O-N 3.08Å; R65-W109 CarbonylContact O-C 3.51Å; R65-W109 WeakPolarHBondContact O-CA 3.43Å; R65-Q110 HydrophobicContact CB-CB 4.32Å; R65-Q110 PolarHBondContact N-O 2.95Å; R65-Q110 PolarHBondContact O-N 3.15Å; R65-W173 HydrophobicContact CG-CH2 4.16Å; R65-W173 HydrophobicContact CG-CZ2 3.38Å; R65-W173 PolarHBondContact NH1-O 3Å
66	L	98.6	Very high	98.5	Very high	41 Å²	41	58 Å²	58	22%	0.215	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	121.2	172.1	-175.1	63.9	0	0	0	109.4	G68 M69 M107 W109 W173	L66-G68 WeakPolarHBondContact CD1-O 3.49Å; L66-M69 HydrophobicContact CD1-CB 4.31Å; L66-M69 HydrophobicContact CD2-CB 4.22Å; L66-M69 HydrophobicContact CD2-CE 4.42Å; L66-M69 HydrophobicContact CD2-SD 4.27Å; L66-M107 HydrophobicContact CD1-CB 4.25Å; L66-M107 HydrophobicContact CD1-CG 4.44Å; L66-W109 HydrophobicContact CB-CE3 4.1Å; L66-W109 HydrophobicContact CB-CH2 3.85Å; L66-W109 HydrophobicContact CB-CZ2 4.38Å; L66-W109 HydrophobicContact CB-CZ3 3.71Å; L66-W109 HydrophobicContact CD1-CD2 4.14Å; L66-W109 HydrophobicContact CD1-CE3 4.47Å; L66-W109 HydrophobicContact CD1-CH2 4.14Å; L66-W109 HydrophobicContact CD1-CZ2 3.79Å; L66-W109 HydrophobicContact CD1-CZ3 4.48Å; L66-W109 HydrophobicContact CG-CH2 4.42Å; L66-W173 PolarHBondContact O-NE1 3.21Å
67	V	98.5	Very high	98.4	Very high	5 Å²	5	63 Å²	63	3%	0.03	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	-12.8	179.6	-58.1	0	0	0	0	113.3	R65 V108 Q110 L170 Q171	R65-V67 HydrophobicContact CG-CG1 4.18Å; R65-V67 PolarHBondContact O-N 3.08Å; V67-V108 HydrophobicContact CG2-CB 3.76Å; V67-V108 HydrophobicContact CG2-CG1 3.44Å; V67-V108 VanDerWaalsContact CG2-CG1 3.44Å; V67-V108 WeakPolarHBondContact CG2-O 3.34Å; V67-V108 PolarHBondContact N-O 3.41Å; V67-Q110 HydrophobicContact CG1-CB 3.91Å; V67-L170 CarbonylContact O-C 3.57Å; V67-L170 WeakPolarHBondContact O-CA 3.36Å; V67-Q171 PolarHBondContact O-N 2.99Å
68	G	98.6	Very high	98.4	Very high	6 Å²	6	61.3 Å²	61.3	6%	0.062	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	140.9	173.7	0	0	0	0	0	111.1	L66 M107 V108	L66-G68 WeakPolarHBondContact CD1-O 3.49Å; G68-M107 CarbonylContact O-C 3.57Å; G68-M107 VanDerWaalsContact O-CA 3.24Å; G68-M107 WeakPolarHBondContact O-CA 3.5Å; G68-V108 PolarHBondContact N-O 3.07Å; G68-V108 PolarHBondContact O-N 3.44Å
69	M	98.8	Very high	98.4	Very high	102 Å²	102	58.9 Å²	58.9	50%	0.502	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	135.7	175.5	-178.7	172.7	67	0	0	110.9	I56 L66 V105 A106 M107	I56-M69 HydrophobicContact CD1-SD 3.71Å; L66-M69 HydrophobicContact CD1-CB 4.31Å; L66-M69 HydrophobicContact CD2-CB 4.22Å; L66-M69 HydrophobicContact CD2-CE 4.42Å; L66-M69 HydrophobicContact CD2-SD 4.27Å; M69-V105 HydrophobicContact CG-CG1 4.04Å; M69-V105 HydrophobicContact SD-CG1 4.3Å; M69-A106 CarbonylContact C-O 3.58Å; M69-A106 WeakPolarHBondContact CA-O 3.04Å; M69-M107 HydrophobicContact CB-CG 4.29Å; M69-M107 HydrophobicContact CG-CG 3.93Å; M69-M107 HydrophobicContact SD-CG 4.44Å; M69-M107 HydrophobicContact SD-SD 4.48Å
70	K	98.7	Very high	98.4	Very high	47 Å²	47	62.9 Å²	62.9	20%	0.204	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	144.1	169.8	56.5	-175.9	173.9	-172.4	0	112.8	V72 V105 A106 W164 F165 E169	K70-V72 HydrophobicContact CB-CG1 4.13Å; K70-V72 HydrophobicContact CD-CG1 3.71Å; K70-V72 HydrophobicContact CG-CG1 3.73Å; K70-V105 WeakPolarHBondContact O-CA 3.4Å; K70-A106 HydrophobicContact CG-CB 4.27Å; K70-A106 PolarHBondContact N-O 3.15Å; K70-A106 PolarHBondContact O-N 2.8Å; K70-W164 WeakPolarHBondContact CE-O 3.46Å; K70-W164 PolarHBondContact NZ-O 2.92Å; K70-F165 HydrophobicContact CD-CD1 4.44Å; K70-F165 HydrophobicContact CD-CE1 4.04Å; K70-F165 HydrophobicContact CG-CE1 3.86Å; K70-F165 HydrophobicContact CG-CZ 4.06Å; K70-E169 WeakPolarHBondContact CD-OE1 3.25Å; K70-E169 VanDerWaalsContact NZ-CD 3.25Å; K70-E169 IonicContact NZ-OE1 3.59Å; K70-E169 PolarHBondContact NZ-OE1 2.99Å; K70-E169 IonicContact NZ-OE2 3.03Å; K70-E169 PolarHBondContact NZ-OE2 3.05Å
71	L	98.8	Very high	98.4	Very high	119 Å²	119	61.7 Å²	61.7	62%	0.623	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.8	167.5	-176	74	0	0	0	108.4	V47 P103 I104 V105	V47-L71 HydrophobicContact CG1-CD1 4.41Å; L71-P103 HydrophobicContact CD1-CB 3.91Å; L71-P103 HydrophobicContact CG-CB 4.33Å; L71-I104 WeakPolarHBondContact CA-O 3.33Å; L71-V105 HydrophobicContact CD1-CG2 3.52Å
72	V	98.4	Very high	98.4	Very high	37 Å²	37	55 Å²	55	22%	0.224	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149.1	-174.6	-65.3	0	0	0	0	111.8	K70 P103 I104 W164	K70-V72 HydrophobicContact CB-CG1 4.13Å; K70-V72 HydrophobicContact CD-CG1 3.71Å; K70-V72 HydrophobicContact CG-CG1 3.73Å; V72-P103 CarbonylContact O-C 3.59Å; V72-P103 WeakPolarHBondContact O-CA 3.19Å; V72-I104 PolarHBondContact N-O 3.17Å; V72-I104 PolarHBondContact O-N 3.07Å; V72-W164 HydrophobicContact CG2-CE3 4.43Å; V72-W164 HydrophobicContact CG2-CZ3 3.87Å
73	Q	98.4	Very high	98.3	Very high	114 Å²	114	50.4 Å²	50.4	53%	0.533	26%	0.255	S	S	.	.			trans	-93	105.1	162	-172.5	68.8	38.4	0	0	107.5	S100 G102	Q73-S100 PolarHBondContact NE2-O 3.02Å; Q73-G102 PolarHBondContact NE2-O 3.32Å; Q73-G102 PolarHBondContact OE1-O 3.26Å
74	A	97.9	Very high	98.3	Very high	6 Å²	6	54.6 Å²	54.6	5%	0.05	27%	0.267	C	S	.	.			trans	-74.2	135.6	-176.9	0	0	0	0	0	111.4	L78 L79 I104 W164	A74-L78 HydrophobicContact CB-CD2 4.21Å; A74-L79 HydrophobicContact CB-CD1 3.95Å; A74-L79 HydrophobicContact CB-CD2 4.1Å; A74-L79 HydrophobicContact CB-CG 3.89Å; A74-I104 HydrophobicContact CB-CD1 4.04Å; A74-W164 HydrophobicContact CB-CH2 3.73Å; A74-W164 HydrophobicContact CB-CZ3 4.08Å
75	S	98.3	Very high	98.1	Very high	64 Å²	64	59 Å²	59	45%	0.448	29%	0.291	S	S	.	.			trans	-71.3	155.1	172.8	65.6	0	0	0	0	110.9	D77 L78 L79	S75-D77 PolarHBondContact O-N 3.39Å; S75-L78 PolarHBondContact O-N 2.88Å; S75-L78 WeakPolarHBondContact OG-CB 3.33Å; S75-L78 PolarHBondContact OG-N 2.77Å; S75-L79 WeakPolarHBondContact O-CG 3.44Å; S75-L79 PolarHBondContact O-N 2.92Å; S75-L79 VanDerWaalsContact O-N 3.12Å
76	E	98	Very high	97.9	Very high	78 Å²	78	59.6 Å²	59.6	36%	0.364	30%	0.297	S	S	.	.	H	α-helix	trans	-60	-36.8	173.5	-71.4	-160.3	-173.6	0	0	112.1	L79 R80 V96	E76-L79 PolarHBondContact O-N 2.84Å; E76-R80 WeakPolarHBondContact O-CB 3.12Å; E76-R80 VanDerWaalsContact O-CG 3.25Å; E76-R80 WeakPolarHBondContact O-CG 3.44Å; E76-R80 PolarHBondContact O-N 3.49Å; E76-R80 IonicContact OE2-CZ 2.77Å; E76-R80 IonicContact OE2-NE 3.86Å; E76-R80 IonicContact OE2-NH2 3.51Å; E76-R80 PolarHBondContact OE2-NH2 3.06Å; E76-R80 VanDerWaalsContact OE2-NH2 3.16Å; E76-V96 HydrophobicContact CB-CG1 3.92Å; E76-V96 HydrophobicContact CG-CG1 3.91Å
77	D	98.2	Very high	97.8	Very high	126 Å²	126	65.9 Å²	65.9	67%	0.674	32%	0.318	S	S	*	.	H	α-helix	trans	-61.8	-45.5	178.8	-64.5	-23.7	0	0	0	111.7	S75 L79 R80 E81	S75-D77 PolarHBondContact O-N 3.39Å; D77-L79 VanDerWaalsContact C-N 3.31Å; D77-L79 PolarHBondContact O-N 2.94Å; D77-R80 PolarHBondContact O-N 3.4Å; D77-E81 PolarHBondContact O-N 2.75Å
78	L	98.4	Very high	97.7	Very high	43 Å²	43	72.5 Å²	72.5	23%	0.225	35%	0.353	C	S	.	.	H	α-helix	trans	-59.8	-43.6	175.4	-178.9	67.6	0	0	0	111.1	A74 S75 E81 H82 L163 W164	A74-L78 HydrophobicContact CB-CD2 4.21Å; S75-L78 PolarHBondContact O-N 2.88Å; S75-L78 WeakPolarHBondContact OG-CB 3.33Å; S75-L78 PolarHBondContact OG-N 2.77Å; L78-E81 PolarHBondContact O-N 2.66Å; L78-H82 WeakPolarHBondContact O-CB 3.3Å; L78-H82 PolarHBondContact O-N 3.35Å; L78-L163 HydrophobicContact CD1-CD1 3.77Å; L78-L163 HydrophobicContact CD1-CD2 4.27Å; L78-L163 HydrophobicContact CD1-CG 3.69Å; L78-W164 HydrophobicContact CD2-CD2 4.3Å; L78-W164 HydrophobicContact CD2-CE3 4.1Å; L78-W164 HydrophobicContact CD2-CH2 4.21Å; L78-W164 HydrophobicContact CD2-CZ2 4.41Å; L78-W164 HydrophobicContact CD2-CZ3 4.05Å
79	L	98.5	Very high	97.6	Very high	0 Å²	0	77.4 Å²	77.4	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-71.2	-33.1	-179	-70.6	166.4	0	0	0	112.9	A74 S75 E76 D77 H82 Y83 V96 M99 S100 I104 W164	A74-L79 HydrophobicContact CB-CD1 3.95Å; A74-L79 HydrophobicContact CB-CD2 4.1Å; A74-L79 HydrophobicContact CB-CG 3.89Å; S75-L79 WeakPolarHBondContact O-CG 3.44Å; S75-L79 PolarHBondContact O-N 2.92Å; S75-L79 VanDerWaalsContact O-N 3.12Å; E76-L79 PolarHBondContact O-N 2.84Å; D77-L79 VanDerWaalsContact C-N 3.31Å; D77-L79 PolarHBondContact O-N 2.94Å; L79-H82 PolarHBondContact O-N 3.23Å; L79-Y83 HydrophobicContact CD2-CE2 4.27Å; L79-Y83 WeakPolarHBondContact O-CB 3.42Å; L79-Y83 VanDerWaalsContact O-CD2 3.28Å; L79-Y83 WeakPolarHBondContact O-CD2 3.37Å; L79-Y83 PolarHBondContact O-N 2.8Å; L79-V96 HydrophobicContact CB-CG1 4.17Å; L79-M99 HydrophobicContact CD1-CB 3.61Å; L79-M99 HydrophobicContact CD2-CB 3.62Å; L79-M99 HydrophobicContact CD2-CE 4.27Å; L79-M99 HydrophobicContact CD2-CG 4.42Å; L79-M99 HydrophobicContact CG-CB 4.21Å; L79-S100 VanDerWaalsContact CD1-N 3.32Å; L79-I104 HydrophobicContact CD2-CD1 4.45Å; L79-W164 HydrophobicContact CD2-CH2 4.12Å; L79-W164 HydrophobicContact CD2-CZ2 4.02Å
80	R	98.4	Very high	97.4	Very high	84 Å²	84	78.7 Å²	78.7	32%	0.317	39%	0.389	S	S	.	.	H	α-helix	trans	-66.1	-40.8	173.7	-75.6	174.6	-171.4	-71.5	-5.7	111.2	E76 D77 Y83 R84 F92 N93 V96	E76-R80 WeakPolarHBondContact O-CB 3.12Å; E76-R80 VanDerWaalsContact O-CG 3.25Å; E76-R80 WeakPolarHBondContact O-CG 3.44Å; E76-R80 PolarHBondContact O-N 3.49Å; E76-R80 IonicContact OE2-CZ 2.77Å; E76-R80 IonicContact OE2-NE 3.86Å; E76-R80 IonicContact OE2-NH2 3.51Å; E76-R80 PolarHBondContact OE2-NH2 3.06Å; E76-R80 VanDerWaalsContact OE2-NH2 3.16Å; D77-R80 PolarHBondContact O-N 3.4Å; R80-Y83 CarbonylContact O-C 3.5Å; R80-R84 WeakPolarHBondContact O-CA 3.45Å; R80-R84 PolarHBondContact O-N 2.9Å; R80-F92 HydrophobicContact CB-CZ 4.1Å; R80-F92 HydrophobicContact CG-CE1 4.23Å; R80-F92 HydrophobicContact CG-CZ 3.91Å; R80-N93 PolarHBondContact NH1-OD1 3.08Å; R80-N93 VanDerWaalsContact NH1-OD1 3.12Å; R80-V96 HydrophobicContact CG-CG1 4.08Å; R80-V96 HydrophobicContact CG-CG2 3.92Å
81	E	98.3	Very high	97.2	Very high	84 Å²	84	81.8 Å²	81.8	39%	0.393	40%	0.403	S	S	.	.	H	α-helix	trans	-67.8	-43.1	173.6	-176.5	55.5	-150.8	0	0	111.3	D77 L78 Y83 R84 L163	D77-E81 PolarHBondContact O-N 2.75Å; L78-E81 PolarHBondContact O-N 2.66Å; E81-Y83 VanDerWaalsContact C-N 3.3Å; E81-Y83 PolarHBondContact O-N 2.81Å; E81-R84 VanDerWaalsContact O-CB 3.29Å; E81-R84 WeakPolarHBondContact O-CB 3.26Å; E81-R84 WeakPolarHBondContact O-CD 3.36Å; E81-R84 WeakPolarHBondContact O-CG 3.33Å; E81-R84 PolarHBondContact O-N 3.26Å; E81-R84 WeakPolarHBondContact OE1-CD 3.38Å; E81-R84 IonicContact OE1-CZ 2.97Å; E81-R84 IonicContact OE1-NE 2.81Å; E81-R84 IonicContact OE1-NH1 3.24Å; E81-R84 PolarHBondContact OE1-NH1 3.44Å; E81-L163 HydrophobicContact CB-CD1 4.3Å; E81-L163 HydrophobicContact CB-CD2 4.26Å; E81-L163 HydrophobicContact CG-CD1 3.76Å; E81-L163 HydrophobicContact CG-CD2 4.01Å
82	H	98.4	Very high	97.1	Very high	16 Å²	16	76.9 Å²	76.9	7%	0.074	38%	0.376	C	S	.	.	H	α-helix	trans	-58.7	-41.4	177	177.9	69.7	0	0	0	112.2	F39 L78 L79 H149 E160 L163 W164	F39-H82 AromaticContact CE1-CE1 3.81Å; L78-H82 WeakPolarHBondContact O-CB 3.3Å; L78-H82 PolarHBondContact O-N 3.35Å; L79-H82 PolarHBondContact O-N 3.23Å; H82-H149 AromaticContact CE1-CD2 3.93Å; H82-H149 AromaticContact CE1-CE1 3.91Å; H82-H149 AromaticContact CE1-NE2 3.48Å; H82-H149 PolarHBondContact CE1-NE2 3.18Å; H82-H149 AromaticContact NE2-CD2 3.88Å; H82-H149 AromaticContact NE2-CE1 3.69Å; H82-H149 AromaticContact NE2-NE2 3.62Å; H82-E160 IonicContact CE1-OE1 3.44Å; H82-L163 HydrophobicContact CB-CD2 3.76Å; H82-W164 AromaticContact CE1-NE1 3.77Å; H82-W164 AromaticContact CG-NE1 3.59Å; H82-W164 AromaticContact ND1-CD1 3.99Å; H82-W164 AromaticContact ND1-NE1 3.15Å; H82-W164 PolarHBondContact ND1-NE1 3.01Å; H82-W164 VanDerWaalsContact ND1-NE1 3.15Å
83	Y	97.1	Very high	97	Very high	16 Å²	16	80 Å²	80	6%	0.063	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	22.8	178.6	-65.7	-58.3	0	0	0	113.8	L79 R80 E81 D85 L86 F92 L95 M99	L79-Y83 HydrophobicContact CD2-CE2 4.27Å; L79-Y83 WeakPolarHBondContact O-CB 3.42Å; L79-Y83 VanDerWaalsContact O-CD2 3.28Å; L79-Y83 WeakPolarHBondContact O-CD2 3.37Å; L79-Y83 PolarHBondContact O-N 2.8Å; R80-Y83 CarbonylContact O-C 3.5Å; E81-Y83 VanDerWaalsContact C-N 3.3Å; E81-Y83 PolarHBondContact O-N 2.81Å; Y83-D85 PolarHBondContact O-N 2.83Å; Y83-D85 VanDerWaalsContact O-N 3.08Å; Y83-L86 HydrophobicContact CD1-CD1 3.93Å; Y83-L86 WeakPolarHBondContact O-CA 3.46Å; Y83-L86 WeakPolarHBondContact O-CB 3.07Å; Y83-L86 PolarHBondContact O-N 2.69Å; Y83-F92 VanDerWaalsContact O-CE2 3.28Å; Y83-F92 WeakPolarHBondContact O-CE2 3.32Å; Y83-L95 HydrophobicContact CD1-CD2 3.66Å; Y83-L95 HydrophobicContact CD2-CD2 3.78Å; Y83-L95 HydrophobicContact CD2-CG 3.88Å; Y83-L95 HydrophobicContact CE1-CD2 3.83Å; Y83-L95 HydrophobicContact CE1-CG 4.46Å; Y83-L95 HydrophobicContact CE2-CD1 4.09Å; Y83-L95 HydrophobicContact CE2-CD2 3.92Å; Y83-L95 HydrophobicContact CE2-CG 3.75Å; Y83-L95 HydrophobicContact CG-CD2 3.65Å; Y83-L95 HydrophobicContact CG-CG 4.28Å; Y83-M99 HydrophobicContact CE2-CB 4.48Å; Y83-M99 HydrophobicContact CE2-CG 3.89Å; Y83-M99 WeakPolarHBondContact OH-CE 3.45Å
84	R	96.6	Very high	96.9	Very high	99 Å²	99	76.9 Å²	76.9	37%	0.374	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-54.1	-34.5	-173.6	70	-167.4	-165.6	179.6	7.3	113.9	R80 E81 L86 R87	R80-R84 WeakPolarHBondContact O-CA 3.45Å; R80-R84 PolarHBondContact O-N 2.9Å; E81-R84 VanDerWaalsContact O-CB 3.29Å; E81-R84 WeakPolarHBondContact O-CB 3.26Å; E81-R84 WeakPolarHBondContact O-CD 3.36Å; E81-R84 WeakPolarHBondContact O-CG 3.33Å; E81-R84 PolarHBondContact O-N 3.26Å; E81-R84 WeakPolarHBondContact OE1-CD 3.38Å; E81-R84 IonicContact OE1-CZ 2.97Å; E81-R84 IonicContact OE1-NE 2.81Å; E81-R84 IonicContact OE1-NH1 3.24Å; E81-R84 PolarHBondContact OE1-NH1 3.44Å; R84-L86 PolarHBondContact O-N 2.97Å; R84-R87 WeakPolarHBondContact O-CB 3.35Å; R84-R87 VanDerWaalsContact O-CG 3.3Å; R84-R87 WeakPolarHBondContact O-CG 3.41Å; R84-R87 PolarHBondContact O-N 3.33Å
85	D	94.7	Very high	96.8	Very high	109 Å²	109	78 Å²	78	58%	0.583	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-70.4	-12	-179.8	-56.4	-34.4	0	0	0	112.4	Y83 R159	Y83-D85 PolarHBondContact O-N 2.83Å; Y83-D85 VanDerWaalsContact O-N 3.08Å; D85-R159 IonicContact OD2-NH2 2.72Å
86	L	95.1	Very high	96.8	Very high	55 Å²	55	75 Å²	75	29%	0.288	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-105.3	4.6	178	-54.2	180	0	0	0	113	Y83 R84 D88 K89 F91 F92 L95	Y83-L86 HydrophobicContact CD1-CD1 3.93Å; Y83-L86 WeakPolarHBondContact O-CA 3.46Å; Y83-L86 WeakPolarHBondContact O-CB 3.07Å; Y83-L86 PolarHBondContact O-N 2.69Å; R84-L86 PolarHBondContact O-N 2.97Å; L86-D88 PolarHBondContact O-N 3.46Å; L86-K89 HydrophobicContact CB-CG 4.18Å; L86-K89 HydrophobicContact CD2-CG 4.28Å; L86-K89 VanDerWaalsContact O-CB 3.25Å; L86-K89 WeakPolarHBondContact O-CB 3.31Å; L86-K89 WeakPolarHBondContact O-CG 3.38Å; L86-K89 PolarHBondContact O-N 3.05Å; L86-F91 HydrophobicContact CD1-CE2 4.37Å; L86-F92 HydrophobicContact CB-CD2 4.19Å; L86-F92 WeakPolarHBondContact O-CB 3.43Å; L86-L95 HydrophobicContact CD1-CD2 3.91Å
87	R	95.8	Very high	96.7	Very high	173 Å²	173	80.1 Å²	80.1	65%	0.653	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-33.2	-172.1	68.1	-175	-62.1	-141.4	0.5	114.9	R84 K89 F92	R84-R87 WeakPolarHBondContact O-CB 3.35Å; R84-R87 VanDerWaalsContact O-CG 3.3Å; R84-R87 WeakPolarHBondContact O-CG 3.41Å; R84-R87 PolarHBondContact O-N 3.33Å; R87-K89 VanDerWaalsContact C-N 3.34Å; R87-F92 HydrophobicContact CB-CE1 4.4Å; R87-F92 HydrophobicContact CB-CE2 4.5Å; R87-F92 HydrophobicContact CB-CZ 4.32Å
88	D	96.6	Very high	96.6	Very high	144 Å²	144	75.2 Å²	75.2	77%	0.77	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-0.3	-177.7	-57.4	-46.2	0	0	0	112.7	L86	L86-D88 PolarHBondContact O-N 3.46Å
89	K	96.6	Very high	96.5	Very high	109 Å²	109	73.2 Å²	73.2	47%	0.474	35%	0.354	S	S	.	.	S	Bend	trans	-80.3	139.9	178.2	-57.9	-61.2	-177.1	-176.5	0	110.2	L86 R87 F91 F92	L86-K89 HydrophobicContact CB-CG 4.18Å; L86-K89 HydrophobicContact CD2-CG 4.28Å; L86-K89 VanDerWaalsContact O-CB 3.25Å; L86-K89 WeakPolarHBondContact O-CB 3.31Å; L86-K89 WeakPolarHBondContact O-CG 3.38Å; L86-K89 PolarHBondContact O-N 3.05Å; R87-K89 VanDerWaalsContact C-N 3.34Å; K89-F91 HydrophobicContact CB-CD1 4.1Å; K89-F91 HydrophobicContact CB-CD2 4.26Å; K89-F91 HydrophobicContact CB-CE1 3.7Å; K89-F91 HydrophobicContact CB-CE2 3.87Å; K89-F91 HydrophobicContact CB-CG 4.37Å; K89-F91 HydrophobicContact CB-CZ 3.58Å; K89-F91 HydrophobicContact CD-CE1 4.49Å; K89-F91 HydrophobicContact CD-CZ 4.42Å; K89-F91 HydrophobicContact CG-CE1 4.17Å; K89-F91 HydrophobicContact CG-CE2 4.3Å; K89-F91 HydrophobicContact CG-CZ 3.78Å; K89-F91 PolarHBondContact O-N 3.44Å; K89-F92 VanDerWaalsContact O-CB 3.25Å; K89-F92 WeakPolarHBondContact O-CB 3.37Å; K89-F92 PolarHBondContact O-N 3Å
90	P	95.4	Very high	96.5	Very high	129 Å²	129	74.4 Å²	74.4	84%	0.838	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-23.4	-176.5	24.7	-34.7	0	0	0	113.4
91	F	93.5	Very high	96.5	Very high	112 Å²	112	74.2 Å²	74.2	49%	0.491	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-3.5	179.2	56.3	-102.2	0	0	0	114.3	L86 K89 N93 G94 L95	L86-F91 HydrophobicContact CD1-CE2 4.37Å; K89-F91 HydrophobicContact CB-CD1 4.1Å; K89-F91 HydrophobicContact CB-CD2 4.26Å; K89-F91 HydrophobicContact CB-CE1 3.7Å; K89-F91 HydrophobicContact CB-CE2 3.87Å; K89-F91 HydrophobicContact CB-CG 4.37Å; K89-F91 HydrophobicContact CB-CZ 3.58Å; K89-F91 HydrophobicContact CD-CE1 4.49Å; K89-F91 HydrophobicContact CD-CZ 4.42Å; K89-F91 HydrophobicContact CG-CE1 4.17Å; K89-F91 HydrophobicContact CG-CE2 4.3Å; K89-F91 HydrophobicContact CG-CZ 3.78Å; K89-F91 PolarHBondContact O-N 3.44Å; F91-N93 PolarHBondContact O-N 3.32Å; F91-G94 PolarHBondContact O-N 2.96Å; F91-G94 VanDerWaalsContact O-N 3.11Å; F91-L95 PolarHBondContact O-N 3.35Å
92	F	96.6	Very high	96.5	Very high	16 Å²	16	70.4 Å²	70.4	7%	0.07	36%	0.357	C	S	.	.	H	α-helix	trans	-55.3	-50.2	-173.1	175.4	-110.8	0	0	0	113.4	R80 Y83 L86 R87 K89 G94 L95 V96	R80-F92 HydrophobicContact CB-CZ 4.1Å; R80-F92 HydrophobicContact CG-CE1 4.23Å; R80-F92 HydrophobicContact CG-CZ 3.91Å; Y83-F92 VanDerWaalsContact O-CE2 3.28Å; Y83-F92 WeakPolarHBondContact O-CE2 3.32Å; L86-F92 HydrophobicContact CB-CD2 4.19Å; L86-F92 WeakPolarHBondContact O-CB 3.43Å; R87-F92 HydrophobicContact CB-CE1 4.4Å; R87-F92 HydrophobicContact CB-CE2 4.5Å; R87-F92 HydrophobicContact CB-CZ 4.32Å; K89-F92 VanDerWaalsContact O-CB 3.25Å; K89-F92 WeakPolarHBondContact O-CB 3.37Å; K89-F92 PolarHBondContact O-N 3Å; F92-G94 VanDerWaalsContact C-N 3.28Å; F92-G94 PolarHBondContact O-N 3.29Å; F92-L95 WeakPolarHBondContact O-CB 3.38Å; F92-L95 PolarHBondContact O-N 3.08Å; F92-L95 VanDerWaalsContact O-N 3.15Å; F92-V96 HydrophobicContact CD2-CG2 4.38Å; F92-V96 HydrophobicContact CE1-CG2 4.34Å; F92-V96 HydrophobicContact CE2-CG2 4Å; F92-V96 HydrophobicContact CZ-CG2 4Å; F92-V96 WeakPolarHBondContact O-CG2 3.39Å; F92-V96 PolarHBondContact O-N 3.11Å
93	N	96.8	Very high	96.5	Very high	103 Å²	103	71.5 Å²	71.5	55%	0.551	37%	0.365	S	S	*	.	H	α-helix	trans	-64.4	-35.2	179.7	-71.6	-38.7	0	0	0	112.2	R80 F91 R97	R80-N93 PolarHBondContact NH1-OD1 3.08Å; R80-N93 VanDerWaalsContact NH1-OD1 3.12Å; F91-N93 PolarHBondContact O-N 3.32Å; N93-R97 WeakPolarHBondContact O-CB 3.36Å; N93-R97 PolarHBondContact O-N 3.21Å
94	G	95.8	Very high	96.6	Very high	49 Å²	49	70.7 Å²	70.7	51%	0.505	36%	0.362	S	S	.	.	H	α-helix	trans	-66.7	-39.3	174.2	0	0	0	0	0	112.3	F91 F92 N98	F91-G94 PolarHBondContact O-N 2.96Å; F91-G94 VanDerWaalsContact O-N 3.11Å; F92-G94 VanDerWaalsContact C-N 3.28Å; F92-G94 PolarHBondContact O-N 3.29Å; G94-N98 VanDerWaalsContact O-CB 3.23Å; G94-N98 WeakPolarHBondContact O-CB 3.32Å; G94-N98 PolarHBondContact O-N 2.93Å
95	L	95.8	Very high	96.7	Very high	30 Å²	30	66.4 Å²	66.4	16%	0.157	35%	0.347	C	S	.	.	H	α-helix	trans	-63.4	-48.6	175.6	175.7	61.5	0	0	0	111.6	Y83 L86 F91 F92 N98 M99	Y83-L95 HydrophobicContact CD1-CD2 3.66Å; Y83-L95 HydrophobicContact CD2-CD2 3.78Å; Y83-L95 HydrophobicContact CD2-CG 3.88Å; Y83-L95 HydrophobicContact CE1-CD2 3.83Å; Y83-L95 HydrophobicContact CE1-CG 4.46Å; Y83-L95 HydrophobicContact CE2-CD1 4.09Å; Y83-L95 HydrophobicContact CE2-CD2 3.92Å; Y83-L95 HydrophobicContact CE2-CG 3.75Å; Y83-L95 HydrophobicContact CG-CD2 3.65Å; Y83-L95 HydrophobicContact CG-CG 4.28Å; L86-L95 HydrophobicContact CD1-CD2 3.91Å; F91-L95 PolarHBondContact O-N 3.35Å; F92-L95 WeakPolarHBondContact O-CB 3.38Å; F92-L95 PolarHBondContact O-N 3.08Å; F92-L95 VanDerWaalsContact O-N 3.15Å; L95-N98 PolarHBondContact O-N 3.2Å; L95-M99 HydrophobicContact CD1-CG 4.13Å; L95-M99 WeakPolarHBondContact O-CB 3.29Å; L95-M99 WeakPolarHBondContact O-CG 3.48Å; L95-M99 PolarHBondContact O-N 2.84Å
96	V	98	Very high	96.9	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-59.7	-50.2	177	171.8	0	0	0	0	110.5	E76 L79 R80 F92 N98 M99 S100	E76-V96 HydrophobicContact CB-CG1 3.92Å; E76-V96 HydrophobicContact CG-CG1 3.91Å; L79-V96 HydrophobicContact CB-CG1 4.17Å; R80-V96 HydrophobicContact CG-CG1 4.08Å; R80-V96 HydrophobicContact CG-CG2 3.92Å; F92-V96 HydrophobicContact CD2-CG2 4.38Å; F92-V96 HydrophobicContact CE1-CG2 4.34Å; F92-V96 HydrophobicContact CE2-CG2 4Å; F92-V96 HydrophobicContact CZ-CG2 4Å; F92-V96 WeakPolarHBondContact O-CG2 3.39Å; F92-V96 PolarHBondContact O-N 3.11Å; V96-N98 VanDerWaalsContact C-N 3.31Å; V96-N98 PolarHBondContact O-N 2.88Å; V96-M99 PolarHBondContact O-N 2.57Å; V96-S100 WeakPolarHBondContact O-CB 3.3Å; V96-S100 PolarHBondContact O-N 3.2Å; V96-S100 PolarHBondContact O-OG 2.82Å; V96-S100 VanDerWaalsContact O-OG 3.11Å
97	R	96.5	Very high	97.1	Very high	186 Å²	186	58.6 Å²	58.6	70%	0.702	31%	0.305	S	S	*	.	H	α-helix	trans	-60.4	-39.4	178.7	178.1	178.4	-80	-152.6	-3.1	112.6	N93 S100 S101	N93-R97 WeakPolarHBondContact O-CB 3.36Å; N93-R97 PolarHBondContact O-N 3.21Å; R97-S100 WeakPolarHBondContact CA-OG 3.35Å; R97-S100 PolarHBondContact O-OG 3.11Å; R97-S101 WeakPolarHBondContact O-CB 3.49Å; R97-S101 PolarHBondContact O-N 3.41Å
98	N	95.3	Very high	97.2	Very high	23 Å²	23	50.3 Å²	50.3	12%	0.123	27%	0.274	C	S	.	.	H	α-helix	trans	-64.4	-49.5	176.9	-179.4	14	0	0	0	110.6	G94 L95 V96 S100 S101 G144 R145	G94-N98 VanDerWaalsContact O-CB 3.23Å; G94-N98 WeakPolarHBondContact O-CB 3.32Å; G94-N98 PolarHBondContact O-N 2.93Å; L95-N98 PolarHBondContact O-N 3.2Å; V96-N98 VanDerWaalsContact C-N 3.31Å; V96-N98 PolarHBondContact O-N 2.88Å; N98-S100 VanDerWaalsContact C-N 3.3Å; N98-S100 PolarHBondContact O-N 2.83Å; N98-S101 VanDerWaalsContact O-CB 3.3Å; N98-S101 WeakPolarHBondContact O-CB 3.4Å; N98-S101 PolarHBondContact O-N 3.38Å; N98-S101 VanDerWaalsContact O-N 3.11Å; N98-S101 PolarHBondContact O-OG 2.81Å; N98-G144 PolarHBondContact ND2-O 3.22Å; N98-R145 VanDerWaalsContact CG-NH1 3.33Å; N98-R145 PolarHBondContact ND2-NH1 2.8Å; N98-R145 PolarHBondContact OD1-NH1 2.88Å
99	M	97.8	Very high	97.3	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-66.7	-29.9	-178.9	-71.8	-68.8	-71.3	0	0	113	K43 L79 Y83 L95 V96 S101 I104	K43-M99 HydrophobicContact CB-SD 3.9Å; K43-M99 HydrophobicContact CD-SD 3.67Å; K43-M99 HydrophobicContact CG-CE 4.01Å; K43-M99 HydrophobicContact CG-SD 3.53Å; K43-M99 VanDerWaalsContact CG-SD 3.53Å; L79-M99 HydrophobicContact CD1-CB 3.61Å; L79-M99 HydrophobicContact CD2-CB 3.62Å; L79-M99 HydrophobicContact CD2-CE 4.27Å; L79-M99 HydrophobicContact CD2-CG 4.42Å; L79-M99 HydrophobicContact CG-CB 4.21Å; Y83-M99 HydrophobicContact CE2-CB 4.48Å; Y83-M99 HydrophobicContact CE2-CG 3.89Å; Y83-M99 WeakPolarHBondContact OH-CE 3.45Å; L95-M99 HydrophobicContact CD1-CG 4.13Å; L95-M99 WeakPolarHBondContact O-CB 3.29Å; L95-M99 WeakPolarHBondContact O-CG 3.48Å; L95-M99 PolarHBondContact O-N 2.84Å; V96-M99 PolarHBondContact O-N 2.57Å; M99-S101 VanDerWaalsContact C-N 3.32Å; M99-I104 HydrophobicContact CB-CD1 4.43Å; M99-I104 HydrophobicContact CE-CD1 3.51Å; M99-I104 HydrophobicContact CE-CG1 4.34Å; M99-I104 WeakPolarHBondContact O-CD1 3.39Å; M99-I104 HydrophobicContact SD-CD1 4.39Å
100	S	97.7	Very high	97.4	Very high	24 Å²	24	39 Å²	39	17%	0.168	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-2.5	174.9	65.2	0	0	0	0	113.9	Q73 L79 V96 R97 N98 G102	Q73-S100 PolarHBondContact NE2-O 3.02Å; L79-S100 VanDerWaalsContact CD1-N 3.32Å; V96-S100 WeakPolarHBondContact O-CB 3.3Å; V96-S100 PolarHBondContact O-N 3.2Å; V96-S100 PolarHBondContact O-OG 2.82Å; V96-S100 VanDerWaalsContact O-OG 3.11Å; R97-S100 WeakPolarHBondContact CA-OG 3.35Å; R97-S100 PolarHBondContact O-OG 3.11Å; N98-S100 VanDerWaalsContact C-N 3.3Å; N98-S100 PolarHBondContact O-N 2.83Å; S100-G102 VanDerWaalsContact C-N 3.3Å; S100-G102 PolarHBondContact O-N 3.2Å
101	S	97.9	Very high	97.5	Very high	80 Å²	80	33 Å²	33	56%	0.559	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-13.7	-174	70.2	0	0	0	0	115	R97 N98 M99	R97-S101 WeakPolarHBondContact O-CB 3.49Å; R97-S101 PolarHBondContact O-N 3.41Å; N98-S101 VanDerWaalsContact O-CB 3.3Å; N98-S101 WeakPolarHBondContact O-CB 3.4Å; N98-S101 PolarHBondContact O-N 3.38Å; N98-S101 VanDerWaalsContact O-N 3.11Å; N98-S101 PolarHBondContact O-OG 2.81Å; M99-S101 VanDerWaalsContact C-N 3.32Å
102	G	98.2	Very high	97.7	Very high	4 Å²	4	31.5 Å²	31.5	4%	0.041	18%	0.176	C	C	.	.	S	Bend	trans	-169.5	-176.4	-177.3	0	0	0	0	0	112.4	Q73 S100	Q73-G102 PolarHBondContact NE2-O 3.32Å; Q73-G102 PolarHBondContact OE1-O 3.26Å; S100-G102 VanDerWaalsContact C-N 3.3Å; S100-G102 PolarHBondContact O-N 3.2Å
103	P	98.6	Very high	97.8	Very high	39 Å²	39	34 Å²	34	25%	0.253	19%	0.19	S	C	.	.			trans	-71.9	145.4	-174.7	29.6	-36	0	0	0	111.9	P44 V47 L71 V72	P44-P103 WeakPolarHBondContact CA-O 3.48Å; V47-P103 HydrophobicContact CG1-CG 3.92Å; V47-P103 WeakPolarHBondContact CG2-O 3.33Å; L71-P103 HydrophobicContact CD1-CB 3.91Å; L71-P103 HydrophobicContact CG-CB 4.33Å; V72-P103 CarbonylContact O-C 3.59Å; V72-P103 WeakPolarHBondContact O-CA 3.19Å
104	I	98.8	Very high	97.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.9	176.4	-68.8	167.7	0	0	0	108.3	A41 V42 P44 L71 V72 A74 L79 M99 W164	A41-I104 HydrophobicContact CB-CG2 3.88Å; V42-I104 WeakPolarHBondContact O-CA 3.29Å; V42-I104 WeakPolarHBondContact O-CG2 3.35Å; P44-I104 HydrophobicContact CG-CG1 3.99Å; L71-I104 WeakPolarHBondContact CA-O 3.33Å; V72-I104 PolarHBondContact N-O 3.17Å; V72-I104 PolarHBondContact O-N 3.07Å; A74-I104 HydrophobicContact CB-CD1 4.04Å; L79-I104 HydrophobicContact CD2-CD1 4.45Å; M99-I104 HydrophobicContact CB-CD1 4.43Å; M99-I104 HydrophobicContact CE-CD1 3.51Å; M99-I104 HydrophobicContact CE-CG1 4.34Å; M99-I104 WeakPolarHBondContact O-CD1 3.39Å; M99-I104 HydrophobicContact SD-CD1 4.39Å; I104-W164 HydrophobicContact CD1-CH2 4.12Å; I104-W164 HydrophobicContact CG2-CH2 4.48Å; I104-W164 HydrophobicContact CG2-CZ3 4.44Å
105	V	98.9	Very high	98	Very high	8 Å²	8	27 Å²	27	5%	0.048	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	102.7	165.2	-179.3	0	0	0	0	108.1	A41 V42 V47 V52 M69 K70 L71 M107	A41-V105 CarbonylContact C-O 3.57Å; A41-V105 WeakPolarHBondContact CA-O 3.36Å; V42-V105 HydrophobicContact CB-CB 4.09Å; V42-V105 HydrophobicContact CG2-CB 4.31Å; V42-V105 PolarHBondContact N-O 3.47Å; V42-V105 PolarHBondContact O-N 3.39Å; V47-V105 HydrophobicContact CG2-CG2 4.01Å; V52-V105 HydrophobicContact CG1-CB 4.47Å; V52-V105 HydrophobicContact CG1-CG1 4.32Å; V52-V105 HydrophobicContact CG1-CG2 3.94Å; V52-V105 HydrophobicContact CG2-CG2 3.79Å; M69-V105 HydrophobicContact CG-CG1 4.04Å; M69-V105 HydrophobicContact SD-CG1 4.3Å; K70-V105 WeakPolarHBondContact O-CA 3.4Å; L71-V105 HydrophobicContact CD1-CG2 3.52Å; V105-M107 HydrophobicContact CG1-CG 3.92Å; V105-M107 HydrophobicContact CG1-SD 4.12Å
106	A	98.9	Very high	98.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	135.4	173.9	0	0	0	0	0	109.2	F39 M69 K70 W164 F165	F39-A106 HydrophobicContact CE2-CB 3.92Å; F39-A106 HydrophobicContact CZ-CB 4.25Å; M69-A106 CarbonylContact C-O 3.58Å; M69-A106 WeakPolarHBondContact CA-O 3.04Å; K70-A106 HydrophobicContact CG-CB 4.27Å; K70-A106 PolarHBondContact N-O 3.15Å; K70-A106 PolarHBondContact O-N 2.8Å; A106-W164 HydrophobicContact CB-CE3 3.85Å; A106-W164 HydrophobicContact CB-CZ3 4.24Å; A106-F165 HydrophobicContact CB-CE2 4.04Å; A106-F165 HydrophobicContact CB-CZ 3.97Å
107	M	98.9	Very high	98.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	154.1	-176.4	-62.7	174.6	-65.2	0	0	111.3	I40 V42 I55 I56 L66 G68 M69 V105 W109	I40-M107 HydrophobicContact CB-CB 4.46Å; I40-M107 HydrophobicContact CB-CE 4.18Å; I40-M107 HydrophobicContact CG2-CE 3.71Å; I40-M107 PolarHBondContact N-O 3.4Å; I40-M107 WeakPolarHBondContact O-CA 3.29Å; I40-M107 PolarHBondContact O-N 3.15Å; V42-M107 HydrophobicContact CG2-CE 3.81Å; I55-M107 HydrophobicContact CG2-CE 4.34Å; I56-M107 HydrophobicContact CD1-SD 4.15Å; I56-M107 HydrophobicContact CG1-SD 3.63Å; L66-M107 HydrophobicContact CD1-CB 4.25Å; L66-M107 HydrophobicContact CD1-CG 4.44Å; G68-M107 CarbonylContact O-C 3.57Å; G68-M107 VanDerWaalsContact O-CA 3.24Å; G68-M107 WeakPolarHBondContact O-CA 3.5Å; M69-M107 HydrophobicContact CB-CG 4.29Å; M69-M107 HydrophobicContact CG-CG 3.93Å; M69-M107 HydrophobicContact SD-CG 4.44Å; M69-M107 HydrophobicContact SD-SD 4.48Å; V105-M107 HydrophobicContact CG1-CG 3.92Å; V105-M107 HydrophobicContact CG1-SD 4.12Å; M107-W109 HydrophobicContact SD-CZ2 4.3Å
108	V	98.9	Very high	98.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	121.4	169.8	-174.8	0	0	0	0	108.6	H37 S38 V67 G68 I161 F165 L170	H37-V108 HydrophobicContact CB-CG1 4.2Å; S38-V108 WeakPolarHBondContact O-CA 3.28Å; V67-V108 HydrophobicContact CG2-CB 3.76Å; V67-V108 HydrophobicContact CG2-CG1 3.44Å; V67-V108 VanDerWaalsContact CG2-CG1 3.44Å; V67-V108 WeakPolarHBondContact CG2-O 3.34Å; V67-V108 PolarHBondContact N-O 3.41Å; G68-V108 PolarHBondContact N-O 3.07Å; G68-V108 PolarHBondContact O-N 3.44Å; V108-I161 HydrophobicContact CG1-CD1 3.58Å; V108-I161 HydrophobicContact CG1-CG1 4.12Å; V108-I161 HydrophobicContact CG1-CG2 4.46Å; V108-I161 HydrophobicContact CG2-CD1 4.39Å; V108-I161 HydrophobicContact CG2-CG1 4Å; V108-I161 HydrophobicContact CG2-CG2 4.06Å; V108-F165 HydrophobicContact CG2-CD2 3.55Å; V108-F165 HydrophobicContact CG2-CE2 3.49Å; V108-F165 VanDerWaalsContact CG2-CE2 3.49Å; V108-F165 HydrophobicContact CG2-CG 4.12Å; V108-F165 HydrophobicContact CG2-CZ 4Å; V108-L170 HydrophobicContact CB-CD2 4.16Å; V108-L170 HydrophobicContact CG1-CD2 4.44Å; V108-L170 HydrophobicContact CG2-CD2 3.81Å
109	W	98.9	Very high	98.4	Very high	1 Å²	1	27 Å²	27	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	138.7	178	-69.1	91.1	0	0	0	110.1	H37 S38 I56 F59 E60 F64 R65 L66 M107 V114	H37-W109 CarbonylContact C-O 3.57Å; H37-W109 VanDerWaalsContact CA-O 3.26Å; H37-W109 WeakPolarHBondContact CA-O 3.36Å; S38-W109 PolarHBondContact N-O 2.94Å; S38-W109 PolarHBondContact O-N 2.84Å; I56-W109 HydrophobicContact CG2-CH2 4.17Å; I56-W109 HydrophobicContact CG2-CZ2 4.2Å; F59-W109 HydrophobicContact CB-CD2 3.74Å; F59-W109 HydrophobicContact CB-CE3 3.79Å; F59-W109 HydrophobicContact CB-CH2 3.59Å; F59-W109 HydrophobicContact CB-CZ2 3.52Å; F59-W109 HydrophobicContact CB-CZ3 3.71Å; F59-W109 HydrophobicContact CD1-CB 4.27Å; F59-W109 AromaticContact CD1-CD1 3.83Å; F59-W109 AromaticContact CD1-CD2 3.76Å; F59-W109 HydrophobicContact CD1-CD2 3.76Å; F59-W109 AromaticContact CD1-CE2 3.95Å; F59-W109 HydrophobicContact CD1-CE3 4.38Å; F59-W109 AromaticContact CD1-CG 3.68Å; F59-W109 HydrophobicContact CD1-CG 3.68Å; F59-W109 AromaticContact CD1-NE1 3.96Å; F59-W109 HydrophobicContact CE1-CG 4.21Å; F59-W109 HydrophobicContact CG-CD2 4.02Å; F59-W109 AromaticContact CG-CE2 3.82Å; F59-W109 HydrophobicContact CG-CG 4.35Å; F59-W109 HydrophobicContact CG-CZ2 4.17Å; E60-W109 HydrophobicContact CG-CH2 3.71Å; E60-W109 HydrophobicContact CG-CZ3 4.16Å; F64-W109 HydrophobicContact CB-CE3 3.75Å; F64-W109 HydrophobicContact CB-CZ3 4.44Å; F64-W109 WeakPolarHBondContact O-CZ3 3.35Å; R65-W109 CarbonylContact O-C 3.51Å; R65-W109 WeakPolarHBondContact O-CA 3.43Å; L66-W109 HydrophobicContact CB-CE3 4.1Å; L66-W109 HydrophobicContact CB-CH2 3.85Å; L66-W109 HydrophobicContact CB-CZ2 4.38Å; L66-W109 HydrophobicContact CB-CZ3 3.71Å; L66-W109 HydrophobicContact CD1-CD2 4.14Å; L66-W109 HydrophobicContact CD1-CE3 4.47Å; L66-W109 HydrophobicContact CD1-CH2 4.14Å; L66-W109 HydrophobicContact CD1-CZ2 3.79Å; L66-W109 HydrophobicContact CD1-CZ3 4.48Å; L66-W109 HydrophobicContact CG-CH2 4.42Å; M107-W109 HydrophobicContact SD-CZ2 4.3Å; W109-V114 HydrophobicContact CB-CG2 4.01Å
110	Q	98.6	Very high	98.5	Very high	15 Å²	15	32.8 Å²	32.8	7%	0.07	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	141.7	178.8	-170.9	-167.5	-42	0	0	111	V34 N35 E36 H37 R65 V67	V34-Q110 PolarHBondContact O-NE2 2.82Å; N35-Q110 PolarHBondContact OD1-NE2 3.34Å; N35-Q110 VanDerWaalsContact OD1-NE2 3.16Å; E36-Q110 CarbonylContact O-C 3.57Å; E36-Q110 VanDerWaalsContact O-CA 3.26Å; E36-Q110 WeakPolarHBondContact O-CA 3.13Å; E36-Q110 VanDerWaalsContact O-CG 3.27Å; E36-Q110 WeakPolarHBondContact O-CG 3.42Å; H37-Q110 PolarHBondContact CE1-OE1 3.39Å; H37-Q110 WeakPolarHBondContact NE2-CG 3.37Å; H37-Q110 PolarHBondContact NE2-OE1 3.32Å; H37-Q110 VanDerWaalsContact NE2-OE1 3.12Å; R65-Q110 HydrophobicContact CB-CB 4.32Å; R65-Q110 PolarHBondContact N-O 2.95Å; R65-Q110 PolarHBondContact O-N 3.15Å; V67-Q110 HydrophobicContact CG1-CB 3.91Å
111	G	97.9	Very high	98.5	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.01	17%	0.168	C	C	.	.	S	Bend	trans	160.7	177.5	167.3	0	0	0	0	0	112.7	E36 D113 V114 Y182	E36-G111 PolarHBondContact O-N 3.19Å; G111-D113 PolarHBondContact O-N 2.94Å; G111-V114 VanDerWaalsContact O-CB 3.31Å; G111-V114 WeakPolarHBondContact O-CB 3.5Å; G111-V114 WeakPolarHBondContact O-CG1 3.38Å; G111-V114 PolarHBondContact O-N 3.36Å; G111-Y182 WeakPolarHBondContact CA-OH 3.25Å
112	L	97.6	Very high	98.6	Very high	82 Å²	82	29.5 Å²	29.5	43%	0.429	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	128	-179.2	-176.3	64.4	0	0	0	111.8	G33 V34 V114 Y182	G33-L112 WeakPolarHBondContact O-CA 3.49Å; V34-L112 HydrophobicContact CG1-CB 4.31Å; L112-V114 PolarHBondContact O-N 2.72Å; L112-V114 VanDerWaalsContact O-N 3.08Å; L112-Y182 HydrophobicContact CB-CD1 4.44Å; L112-Y182 HydrophobicContact CB-CE1 3.75Å; L112-Y182 PolarHBondContact N-OH 3.05Å
113	D	97.9	Very high	98.6	Very high	69 Å²	69	29.6 Å²	29.6	37%	0.369	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	26.6	-177.9	-77	1.7	0	0	0	113.1	E36 G111 V115 K116 M117	E36-D113 WeakPolarHBondContact OE1-CA 3.08Å; G111-D113 PolarHBondContact O-N 2.94Å; D113-V115 PolarHBondContact O-N 3.23Å; D113-V115 VanDerWaalsContact O-N 3.15Å; D113-K116 PolarHBondContact O-N 3.34Å; D113-K116 VanDerWaalsContact O-N 3.13Å; D113-M117 HydrophobicContact CB-CG 4.01Å; D113-M117 WeakPolarHBondContact O-CB 3.23Å; D113-M117 WeakPolarHBondContact O-CG 3.12Å; D113-M117 PolarHBondContact O-N 2.72Å
114	V	98.8	Very high	98.6	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57.6	-34.5	-170.4	66	0	0	0	0	112.5	E36 F64 W109 G111 L112 S118	E36-V114 HydrophobicContact CB-CG1 4.16Å; E36-V114 HydrophobicContact CG-CG1 3.95Å; E36-V114 VanDerWaalsContact O-CG1 3.23Å; E36-V114 WeakPolarHBondContact O-CG1 3.35Å; E36-V114 PolarHBondContact OE1-N 3.12Å; F64-V114 HydrophobicContact CD1-CB 4.09Å; F64-V114 HydrophobicContact CD1-CG2 3.77Å; F64-V114 HydrophobicContact CD2-CG2 4.09Å; F64-V114 HydrophobicContact CE1-CB 3.87Å; F64-V114 HydrophobicContact CE1-CG2 3.88Å; F64-V114 HydrophobicContact CE2-CG2 4.16Å; F64-V114 HydrophobicContact CG-CG2 3.9Å; F64-V114 HydrophobicContact CZ-CB 4.28Å; F64-V114 HydrophobicContact CZ-CG2 4.08Å; W109-V114 HydrophobicContact CB-CG2 4.01Å; G111-V114 VanDerWaalsContact O-CB 3.31Å; G111-V114 WeakPolarHBondContact O-CB 3.5Å; G111-V114 WeakPolarHBondContact O-CG1 3.38Å; G111-V114 PolarHBondContact O-N 3.36Å; L112-V114 PolarHBondContact O-N 2.72Å; L112-V114 VanDerWaalsContact O-N 3.08Å; V114-S118 WeakPolarHBondContact O-CB 3.34Å; V114-S118 PolarHBondContact O-N 2.74Å; V114-S118 PolarHBondContact O-OG 2.91Å
115	V	98.6	Very high	98.5	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.03	18%	0.176	C	C	.	.	H	α-helix	trans	-62.4	-54.7	176.6	175.7	0	0	0	0	110.3	E36 H37 D113 M117 S118 R119 V154 A157	E36-V115 HydrophobicContact CG-CG2 4.19Å; E36-V115 WeakPolarHBondContact OE1-CB 3.32Å; E36-V115 WeakPolarHBondContact OE1-CG2 3.42Å; E36-V115 PolarHBondContact OE1-N 3.39Å; H37-V115 VanDerWaalsContact O-CG2 3.3Å; H37-V115 WeakPolarHBondContact O-CG2 3.44Å; D113-V115 PolarHBondContact O-N 3.23Å; D113-V115 VanDerWaalsContact O-N 3.15Å; V115-M117 PolarHBondContact O-N 2.81Å; V115-S118 PolarHBondContact O-N 2.71Å; V115-R119 WeakPolarHBondContact O-CG 3.47Å; V115-R119 PolarHBondContact O-N 3.24Å; V115-R119 VanDerWaalsContact O-N 3.09Å; V115-V154 HydrophobicContact CG2-CG2 4.31Å; V115-A157 HydrophobicContact CG2-CB 3.89Å
116	K	98.4	Very high	98.4	Very high	118 Å²	118	38.8 Å²	38.8	51%	0.513	19%	0.189	S	C	.	.	H	α-helix	trans	-63.6	-43.7	-178.4	178.9	-177.4	177.7	-174.6	0	111.7	D113 R119 K120	D113-K116 PolarHBondContact O-N 3.34Å; D113-K116 VanDerWaalsContact O-N 3.13Å; K116-R119 PolarHBondContact O-N 3.3Å; K116-K120 PolarHBondContact O-N 2.99Å
117	M	98.6	Very high	98.4	Very high	44 Å²	44	39.2 Å²	39.2	22%	0.217	19%	0.191	C	C	.	.	H	α-helix	trans	-71.3	-37	-178.6	-71.1	-56.8	-61.9	0	0	112	F64 D113 V115 R119 K120 M121	F64-M117 HydrophobicContact CE2-CB 4.2Å; F64-M117 HydrophobicContact CZ-CB 3.63Å; F64-M117 HydrophobicContact CZ-CG 4.4Å; D113-M117 HydrophobicContact CB-CG 4.01Å; D113-M117 WeakPolarHBondContact O-CB 3.23Å; D113-M117 WeakPolarHBondContact O-CG 3.12Å; D113-M117 PolarHBondContact O-N 2.72Å; V115-M117 PolarHBondContact O-N 2.81Å; M117-R119 VanDerWaalsContact C-N 3.34Å; M117-R119 PolarHBondContact O-N 2.91Å; M117-K120 WeakPolarHBondContact O-CB 3.36Å; M117-K120 PolarHBondContact O-N 2.77Å; M117-K120 HydrophobicContact SD-CD 3.99Å; M117-M121 WeakPolarHBondContact O-CG 3.43Å; M117-M121 PolarHBondContact O-N 2.83Å
118	S	98.7	Very high	98.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.5	-47.5	171.2	-63.4	0	0	0	0	110.7	F59 V114 V115 K120 M121 L122	F59-S118 VanDerWaalsContact CE1-OG 3.3Å; F59-S118 WeakPolarHBondContact CE1-OG 3.47Å; V114-S118 WeakPolarHBondContact O-CB 3.34Å; V114-S118 PolarHBondContact O-N 2.74Å; V114-S118 PolarHBondContact O-OG 2.91Å; V115-S118 PolarHBondContact O-N 2.71Å; S118-K120 VanDerWaalsContact C-N 3.29Å; S118-K120 PolarHBondContact O-N 3.1Å; S118-M121 PolarHBondContact O-N 3.47Å; S118-L122 WeakPolarHBondContact O-CB 3.5Å; S118-L122 WeakPolarHBondContact O-CD1 3.37Å; S118-L122 PolarHBondContact O-N 3.05Å
119	R	98.6	Very high	98.3	Very high	75 Å²	75	48 Å²	48	28%	0.283	25%	0.249	S	C	.	.	H	α-helix	trans	-57.5	-41	177.2	-72.4	-60.5	-54.9	-95.9	-9.7	112.8	V115 K116 M117 L122 G123 S151	V115-R119 WeakPolarHBondContact O-CG 3.47Å; V115-R119 PolarHBondContact O-N 3.24Å; V115-R119 VanDerWaalsContact O-N 3.09Å; K116-R119 PolarHBondContact O-N 3.3Å; M117-R119 VanDerWaalsContact C-N 3.34Å; M117-R119 PolarHBondContact O-N 2.91Å; R119-L122 PolarHBondContact O-N 2.94Å; R119-G123 PolarHBondContact O-N 3.09Å; R119-S151 WeakPolarHBondContact CD-O 3.33Å; R119-S151 WeakPolarHBondContact CG-O 3.39Å
120	K	98.6	Very high	98.2	Very high	123 Å²	123	48.6 Å²	48.6	54%	0.535	25%	0.254	S	S	.	.	H	α-helix	trans	-63.5	-42.9	173.2	-69.4	179.8	179.7	-178.1	0	112.6	K116 M117 S118 L122 G123	K116-K120 PolarHBondContact O-N 2.99Å; M117-K120 WeakPolarHBondContact O-CB 3.36Å; M117-K120 PolarHBondContact O-N 2.77Å; M117-K120 HydrophobicContact SD-CD 3.99Å; S118-K120 VanDerWaalsContact C-N 3.29Å; S118-K120 PolarHBondContact O-N 3.1Å; K120-L122 VanDerWaalsContact C-N 3.35Å; K120-G123 PolarHBondContact O-N 3.02Å
121	M	98.8	Very high	98.2	Very high	35 Å²	35	54.1 Å²	54.1	17%	0.172	28%	0.283	C	S	.	.	H	α-helix	trans	-67.2	-35.6	178.7	-72	171.5	59	0	0	112.6	R58 F59 K62 F64 M117 S118 G123 T134 I135	R58-M121 HydrophobicContact CB-CE 4.18Å; R58-M121 WeakPolarHBondContact O-CE 3.3Å; F59-M121 HydrophobicContact CD1-CE 4.49Å; F59-M121 HydrophobicContact CD2-CE 4.12Å; F59-M121 HydrophobicContact CE2-CE 4.36Å; F59-M121 HydrophobicContact CG-CE 4.19Å; K62-M121 HydrophobicContact CB-CE 4.17Å; K62-M121 HydrophobicContact CB-SD 4.22Å; K62-M121 HydrophobicContact CD-SD 4.41Å; K62-M121 HydrophobicContact CG-CE 4.46Å; K62-M121 HydrophobicContact CG-SD 3.85Å; F64-M121 HydrophobicContact CD2-SD 4.42Å; F64-M121 HydrophobicContact CE2-SD 3.82Å; M117-M121 WeakPolarHBondContact O-CG 3.43Å; M117-M121 PolarHBondContact O-N 2.83Å; S118-M121 PolarHBondContact O-N 3.47Å; M121-G123 VanDerWaalsContact C-N 3.35Å; M121-T134 CarbonylContact O-C 3.6Å; M121-T134 WeakPolarHBondContact O-CA 3.49Å; M121-I135 PolarHBondContact O-N 3.48Å
122	L	98.8	Very high	98.3	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-66	-38.5	177.3	-92.8	66.9	0	0	0	111.7	I40 F59 S118 R119 K120 I135 R136 I148	I40-L122 HydrophobicContact CD1-CD1 4.45Å; F59-L122 HydrophobicContact CE2-CD1 4.22Å; F59-L122 HydrophobicContact CZ-CD1 3.74Å; S118-L122 WeakPolarHBondContact O-CB 3.5Å; S118-L122 WeakPolarHBondContact O-CD1 3.37Å; S118-L122 PolarHBondContact O-N 3.05Å; R119-L122 PolarHBondContact O-N 2.94Å; K120-L122 VanDerWaalsContact C-N 3.35Å; L122-I135 HydrophobicContact CD1-CD1 4.11Å; L122-R136 VanDerWaalsContact O-CB 3.3Å; L122-R136 WeakPolarHBondContact O-CB 3.45Å; L122-R136 VanDerWaalsContact O-CG 3.28Å; L122-R136 WeakPolarHBondContact O-CG 3.19Å; L122-R136 PolarHBondContact O-N 3.26Å; L122-I148 HydrophobicContact CB-CG2 4.44Å; L122-I148 HydrophobicContact CD1-CD1 3.92Å; L122-I148 HydrophobicContact CD2-CB 4.5Å; L122-I148 HydrophobicContact CD2-CD1 4.38Å; L122-I148 HydrophobicContact CD2-CG1 4.1Å; L122-I148 HydrophobicContact CD2-CG2 3.87Å; L122-I148 HydrophobicContact CG-CD1 4.02Å; L122-I148 HydrophobicContact CG-CG1 4.22Å; L122-I148 HydrophobicContact CG-CG2 3.67Å
123	G	98.7	Very high	98.3	Very high	6 Å²	6	58.2 Å²	58.2	6%	0.062	32%	0.324	C	S	.	.			trans	87.5	178.7	-169.9	0	0	0	0	0	112.5	R119 K120 M121 R136	R119-G123 PolarHBondContact O-N 3.09Å; K120-G123 PolarHBondContact O-N 3.02Å; M121-G123 VanDerWaalsContact C-N 3.35Å; G123-R136 PolarHBondContact O-NH1 3.48Å
124	E	98.4	Very high	98.3	Very high	110 Å²	110	55.8 Å²	55.8	51%	0.514	31%	0.312	S	S	.	.			trans	-63.8	156.6	-178.3	-67.4	-52.3	137.9	0	0	112.8	N126 D129 S130 R136	E124-N126 PolarHBondContact O-N 3.31Å; E124-D129 HydrophobicContact CB-CB 4Å; E124-D129 HydrophobicContact CG-CB 4.23Å; E124-S130 PolarHBondContact N-OG 3.4Å; E124-S130 PolarHBondContact O-OG 3.43Å; E124-S130 VanDerWaalsContact O-OG 3.13Å; E124-R136 VanDerWaalsContact C-NH1 3.3Å; E124-R136 WeakPolarHBondContact O-CD 3.46Å; E124-R136 PolarHBondContact O-NH1 2.84Å
125	T	96.4	Very high	98.3	Very high	73 Å²	73	55.9 Å²	55.9	45%	0.448	31%	0.312	S	S	.	.	S	Bend	trans	-59.9	-39.3	-178.4	-63.3	0	0	0	0	111.9	P127 V143 N146	T125-P127 WeakPolarHBondContact O-CD 3.44Å; T125-V143 HydrophobicContact CG2-CG2 4.23Å; T125-N146 PolarHBondContact O-ND2 2.93Å
126	N	97.6	Very high	98.4	Very high	58 Å²	58	56.1 Å²	56.1	31%	0.31	31%	0.312	S	S	.	.	S	Bend	trans	-86	117.1	171	-178.8	14.1	0	0	0	109.5	E124 A128 D129 S130	E124-N126 PolarHBondContact O-N 3.31Å; N126-A128 PolarHBondContact O-N 3.17Å; N126-A128 PolarHBondContact OD1-N 3.13Å; N126-D129 VanDerWaalsContact CB-OD2 3.3Å; N126-D129 WeakPolarHBondContact CB-OD2 3.44Å; N126-D129 PolarHBondContact ND2-OD2 3.25Å; N126-D129 PolarHBondContact O-N 3.15Å; N126-S130 PolarHBondContact O-N 2.96Å; N126-S130 PolarHBondContact O-OG 2.73Å
127	P	97.9	Very high	98.4	Very high	8 Å²	8	51.8 Å²	51.8	5%	0.052	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-57.4	-30.2	179.6	-28.2	37.4	0	0	0	114.4	T125 D129 S130 C140 N146	T125-P127 WeakPolarHBondContact O-CD 3.44Å; P127-D129 PolarHBondContact O-N 3.48Å; P127-S130 WeakPolarHBondContact O-CB 3.34Å; P127-S130 PolarHBondContact O-N 2.82Å; P127-C140 HydrophobicContact CB-CB 3.62Å; P127-C140 WeakPolarHBondContact CB-O 3.26Å; P127-C140 HydrophobicContact CG-CB 3.39Å; P127-N146 HydrophobicContact CG-CB 3.96Å
128	A	97.6	Very high	98.4	Very high	80 Å²	80	52.8 Å²	52.8	66%	0.661	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-62.3	-24.8	177.2	0	0	0	0	0	113.2	N126	N126-A128 PolarHBondContact O-N 3.17Å; N126-A128 PolarHBondContact OD1-N 3.13Å
129	D	98.4	Very high	98.4	Very high	104 Å²	104	55.4 Å²	55.4	56%	0.556	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-97.4	-0.7	177.9	-54.7	-46.8	0	0	0	111.9	E124 N126 P127	E124-D129 HydrophobicContact CB-CB 4Å; E124-D129 HydrophobicContact CG-CB 4.23Å; N126-D129 VanDerWaalsContact CB-OD2 3.3Å; N126-D129 WeakPolarHBondContact CB-OD2 3.44Å; N126-D129 PolarHBondContact ND2-OD2 3.25Å; N126-D129 PolarHBondContact O-N 3.15Å; P127-D129 PolarHBondContact O-N 3.48Å
130	S	98.4	Very high	98.4	Very high	14 Å²	14	52.2 Å²	52.2	10%	0.098	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-85.9	134.2	-179.5	-63.2	0	0	0	0	111.5	E124 N126 P127	E124-S130 PolarHBondContact N-OG 3.4Å; E124-S130 PolarHBondContact O-OG 3.43Å; E124-S130 VanDerWaalsContact O-OG 3.13Å; N126-S130 PolarHBondContact O-N 2.96Å; N126-S130 PolarHBondContact O-OG 2.73Å; P127-S130 WeakPolarHBondContact O-CB 3.34Å; P127-S130 PolarHBondContact O-N 2.82Å
131	L	98.6	Very high	98.3	Very high	132 Å²	132	54 Å²	54	69%	0.691	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-75.1	149.3	178.9	-63.3	175.9	0	0	0	112	T134	L131-T134 HydrophobicContact CB-CG2 4.45Å; L131-T134 WeakPolarHBondContact O-CB 3.38Å; L131-T134 WeakPolarHBondContact O-CG2 3.48Å; L131-T134 PolarHBondContact O-N 2.86Å; L131-T134 VanDerWaalsContact O-N 3.14Å; L131-T134 PolarHBondContact O-OG1 3.37Å
132	P	98.6	Very high	98.2	Very high	117 Å²	117	58.8 Å²	58.8	76%	0.76	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	140.2	167.4	-25.9	35	0	0	0	111.9	T134	P132-T134 VanDerWaalsContact C-N 3.34Å
133	G	98.1	Very high	98	Very high	52 Å²	52	62.9 Å²	62.9	54%	0.536	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.2	-16.4	-173.1	0	0	0	0	0	114.4	R58 D138	R58-G133 PolarHBondContact NH1-O 2.96Å; G133-D138 WeakPolarHBondContact CA-OD1 3.43Å; G133-D138 VanDerWaalsContact CA-OD2 3.29Å; G133-D138 WeakPolarHBondContact CA-OD2 3.29Å; G133-D138 PolarHBondContact N-OD1 2.88Å
134	T	98.9	Very high	97.7	Very high	18 Å²	18	64.3 Å²	64.3	11%	0.11	38%	0.383	C	S	.	.	S	Bend	trans	-81	153.4	168.5	68.4	0	0	0	0	110.4	M121 L131 P132 R136 G137 D138	M121-T134 CarbonylContact O-C 3.6Å; M121-T134 WeakPolarHBondContact O-CA 3.49Å; L131-T134 HydrophobicContact CB-CG2 4.45Å; L131-T134 WeakPolarHBondContact O-CB 3.38Å; L131-T134 WeakPolarHBondContact O-CG2 3.48Å; L131-T134 PolarHBondContact O-N 2.86Å; L131-T134 VanDerWaalsContact O-N 3.14Å; L131-T134 PolarHBondContact O-OG1 3.37Å; P132-T134 VanDerWaalsContact C-N 3.34Å; T134-R136 VanDerWaalsContact C-N 3.28Å; T134-R136 PolarHBondContact O-N 2.62Å; T134-G137 PolarHBondContact O-N 3.39Å; T134-G137 PolarHBondContact OG1-N 3.03Å; T134-G137 VanDerWaalsContact OG1-N 3.07Å; T134-D138 WeakPolarHBondContact O-CB 3.25Å; T134-D138 VanDerWaalsContact O-CG 3.24Å; T134-D138 PolarHBondContact O-N 3.11Å
135	I	98.8	Very high	97.6	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.005	38%	0.382	C	S	.	.	H	α-helix	trans	-57.9	-42.8	-178.4	-69.4	160.4	0	0	0	111	I55 F59 M121 L122 Y139 I148	I55-I135 HydrophobicContact CD1-CG2 4.43Å; I55-I135 HydrophobicContact CG1-CG2 4.16Å; I55-I135 HydrophobicContact CG2-CD1 4.4Å; F59-I135 HydrophobicContact CE2-CD1 3.99Å; M121-I135 PolarHBondContact O-N 3.48Å; L122-I135 HydrophobicContact CD1-CD1 4.11Å; I135-Y139 HydrophobicContact CG2-CD2 4.19Å; I135-Y139 WeakPolarHBondContact O-CB 3.45Å; I135-Y139 VanDerWaalsContact O-CD2 3.28Å; I135-Y139 WeakPolarHBondContact O-CD2 3.39Å; I135-Y139 PolarHBondContact O-N 3.21Å; I135-Y139 VanDerWaalsContact O-N 3.1Å; I135-I148 HydrophobicContact CB-CG2 4.5Å; I135-I148 HydrophobicContact CD1-CD1 3.89Å; I135-I148 HydrophobicContact CG2-CB 4.48Å; I135-I148 HydrophobicContact CG2-CD1 4.42Å; I135-I148 HydrophobicContact CG2-CG2 3.8Å
136	R	98.8	Very high	97.7	Very high	10 Å²	10	61.9 Å²	61.9	4%	0.038	36%	0.362	C	S	.	.	H	α-helix	trans	-74.6	-38.1	179	-70.2	172.1	-173.4	150.4	1.2	112.7	L122 G123 E124 T134 D138 C140 N146 I148	L122-R136 VanDerWaalsContact O-CB 3.3Å; L122-R136 WeakPolarHBondContact O-CB 3.45Å; L122-R136 VanDerWaalsContact O-CG 3.28Å; L122-R136 WeakPolarHBondContact O-CG 3.19Å; L122-R136 PolarHBondContact O-N 3.26Å; G123-R136 PolarHBondContact O-NH1 3.48Å; E124-R136 VanDerWaalsContact C-NH1 3.3Å; E124-R136 WeakPolarHBondContact O-CD 3.46Å; E124-R136 PolarHBondContact O-NH1 2.84Å; T134-R136 VanDerWaalsContact C-N 3.28Å; T134-R136 PolarHBondContact O-N 2.62Å; R136-D138 VanDerWaalsContact C-N 3.3Å; R136-D138 PolarHBondContact O-N 2.62Å; R136-C140 HydrophobicContact CB-CB 4.34Å; R136-C140 WeakPolarHBondContact O-CA 3.41Å; R136-C140 VanDerWaalsContact O-CB 3.26Å; R136-C140 WeakPolarHBondContact O-CB 3.36Å; R136-C140 PolarHBondContact O-N 2.95Å; R136-N146 HydrophobicContact CG-CB 4.35Å; R136-I148 HydrophobicContact CG-CG2 4.32Å; R136-I148 PolarHBondContact NH2-O 3.42Å
137	G	98.7	Very high	97.7	Very high	28 Å²	28	59.1 Å²	59.1	29%	0.289	35%	0.347	S	S	.	.	H	α-helix	trans	-63.1	-37	176	0	0	0	0	0	112.7	T134	T134-G137 PolarHBondContact O-N 3.39Å; T134-G137 PolarHBondContact OG1-N 3.03Å; T134-G137 VanDerWaalsContact OG1-N 3.07Å
138	D	98.7	Very high	97.7	Very high	65 Å²	65	58.8 Å²	58.8	35%	0.348	34%	0.344	S	S	.	.	H	α-helix	trans	-82.3	-30.8	-178.4	-64.3	-22.8	0	0	0	113	R58 G133 T134 R136	R58-D138 IonicContact CZ-OD2 3.16Å; R58-D138 VanDerWaalsContact CZ-OD2 3.24Å; R58-D138 IonicContact NH1-OD2 3.71Å; R58-D138 PolarHBondContact NH1-OD2 3.32Å; R58-D138 IonicContact NH2-OD2 3.89Å; R58-D138 PolarHBondContact NH2-OD2 3.47Å; G133-D138 WeakPolarHBondContact CA-OD1 3.43Å; G133-D138 VanDerWaalsContact CA-OD2 3.29Å; G133-D138 WeakPolarHBondContact CA-OD2 3.29Å; G133-D138 PolarHBondContact N-OD1 2.88Å; T134-D138 WeakPolarHBondContact O-CB 3.25Å; T134-D138 VanDerWaalsContact O-CG 3.24Å; T134-D138 PolarHBondContact O-N 3.11Å; R136-D138 VanDerWaalsContact C-N 3.3Å; R136-D138 PolarHBondContact O-N 2.62Å
139	Y	98.6	Very high	97.8	Very high	54 Å²	54	56.2 Å²	56.2	21%	0.212	32%	0.319	C	S	.	.	H	α-helix	trans	-122.5	-5.8	-167.2	-55.6	-51.7	0	0	0	115.4	R49 L51 E54 R58 I135	R49-Y139 PolarHBondContact NH1-O 3.25Å; R49-Y139 PolarHBondContact NH2-O 3.11Å; L51-Y139 HydrophobicContact CD1-CG 4.16Å; L51-Y139 HydrophobicContact CD2-CD1 4.19Å; L51-Y139 HydrophobicContact CD2-CE1 4.45Å; L51-Y139 HydrophobicContact CD2-CG 4.33Å; E54-Y139 HydrophobicContact CG-CE2 3.65Å; E54-Y139 WeakPolarHBondContact CG-OH 3.48Å; E54-Y139 PolarHBondContact OE1-OH 2.89Å; R58-Y139 VanDerWaalsContact NH2-CE2 3.27Å; R58-Y139 VanDerWaalsContact NH2-CZ 3.26Å; R58-Y139 PolarHBondContact NH2-OH 3.23Å; I135-Y139 HydrophobicContact CG2-CD2 4.19Å; I135-Y139 WeakPolarHBondContact O-CB 3.45Å; I135-Y139 VanDerWaalsContact O-CD2 3.28Å; I135-Y139 WeakPolarHBondContact O-CD2 3.39Å; I135-Y139 PolarHBondContact O-N 3.21Å; I135-Y139 VanDerWaalsContact O-N 3.1Å
140	C	98.4	Very high	97.8	Very high	9 Å²	9	51.4 Å²	51.4	6%	0.061	29%	0.294	C	S	.	.			trans	-125.6	152.4	-172.8	-53.2	0	0	0	0	112.1	P127 R136 N146 V147	P127-C140 HydrophobicContact CB-CB 3.62Å; P127-C140 WeakPolarHBondContact CB-O 3.26Å; P127-C140 HydrophobicContact CG-CB 3.39Å; R136-C140 HydrophobicContact CB-CB 4.34Å; R136-C140 WeakPolarHBondContact O-CA 3.41Å; R136-C140 VanDerWaalsContact O-CB 3.26Å; R136-C140 WeakPolarHBondContact O-CB 3.36Å; R136-C140 PolarHBondContact O-N 2.95Å; C140-N146 VanDerWaalsContact SG-CA 3.57Å; C140-V147 VanDerWaalsContact SG-CB 3.59Å; C140-V147 WeakPolarHBondContact SG-CG2 3.4Å
141	L	96.9	Very high	97.8	Very high	159 Å²	159	50.8 Å²	50.8	83%	0.832	29%	0.29	S	S	*	.	S	Bend	trans	-120.7	-39.2	176.5	-63.8	175.1	0	0	0	111.7
142	E	96.4	Very high	97.7	Very high	136 Å²	136	49.4 Å²	49.4	64%	0.636	28%	0.283	S	S	*	.	S	Bend	trans	-119.7	145	-174.6	-64	-174.7	174.5	0	0	112.2	G144 R145 N146	E142-G144 VanDerWaalsContact C-N 3.26Å; E142-G144 PolarHBondContact O-N 3.36Å; E142-R145 CarbonylContact O-C 3.26Å; E142-R145 VanDerWaalsContact O-C 3.26Å; E142-R145 PolarHBondContact O-N 3.32Å; E142-N146 PolarHBondContact O-N 3.33Å
143	V	94.5	Very high	97.7	Very high	86 Å²	86	45.5 Å²	45.5	52%	0.521	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-57.8	-34.9	-180	66.5	0	0	0	0	113.4	T125 R145	T125-V143 HydrophobicContact CG2-CG2 4.23Å; V143-R145 PolarHBondContact O-N 3.16Å
144	G	93.2	Very high	97.6	Very high	36 Å²	36	44.9 Å²	44.9	37%	0.371	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-74.4	-9.3	178.9	0	0	0	0	0	114.5	N98 E142	N98-G144 PolarHBondContact ND2-O 3.22Å; E142-G144 VanDerWaalsContact C-N 3.26Å; E142-G144 PolarHBondContact O-N 3.36Å
145	R	96.1	Very high	97.5	Very high	128 Å²	128	49.8 Å²	49.8	48%	0.483	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-136.6	53.5	-178.5	-63.5	-65	-176.2	-94	4.5	109.8	D45 N98 E142 V143	D45-R145 VanDerWaalsContact OD2-CA 3.23Å; D45-R145 WeakPolarHBondContact OD2-CA 3.23Å; N98-R145 VanDerWaalsContact CG-NH1 3.33Å; N98-R145 PolarHBondContact ND2-NH1 2.8Å; N98-R145 PolarHBondContact OD1-NH1 2.88Å; E142-R145 CarbonylContact O-C 3.26Å; E142-R145 VanDerWaalsContact O-C 3.26Å; E142-R145 PolarHBondContact O-N 3.32Å; V143-R145 PolarHBondContact O-N 3.16Å
146	N	97.8	Very high	97.4	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.027	27%	0.269	C	S	.	.			trans	-95.7	19.9	-175.6	74.3	-7.6	0	0	0	114.1	K43 T125 P127 R136 C140 E142 I148	K43-N146 PolarHBondContact NZ-OD1 3.44Å; T125-N146 PolarHBondContact O-ND2 2.93Å; P127-N146 HydrophobicContact CG-CB 3.96Å; R136-N146 HydrophobicContact CG-CB 4.35Å; C140-N146 VanDerWaalsContact SG-CA 3.57Å; E142-N146 PolarHBondContact O-N 3.33Å; N146-I148 PolarHBondContact O-N 3.23Å
147	V	98.1	Very high	97.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.267	C	S	.	.			trans	64.4	-33.2	164.4	169	0	0	0	0	117.8	K43 D45 R49 L51 I55 C140	K43-V147 WeakPolarHBondContact CB-O 3.42Å; K43-V147 PolarHBondContact N-O 3.12Å; D45-V147 WeakPolarHBondContact OD2-CA 3.39Å; D45-V147 PolarHBondContact OD2-N 2.78Å; R49-V147 VanDerWaalsContact NH1-CG2 3.27Å; L51-V147 HydrophobicContact CD1-CG1 3.95Å; L51-V147 HydrophobicContact CD1-CG2 3.98Å; I55-V147 HydrophobicContact CD1-CG1 3.68Å; C140-V147 VanDerWaalsContact SG-CB 3.59Å; C140-V147 WeakPolarHBondContact SG-CG2 3.4Å
148	I	98.7	Very high	97.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	142.6	-165.4	-164.8	170.9	0	0	0	112.3	I40 A41 I55 F59 L122 I135 R136 N146	I40-I148 HydrophobicContact CG2-CD1 3.77Å; I40-I148 HydrophobicContact CG2-CG1 3.98Å; A41-I148 CarbonylContact O-C 3.52Å; A41-I148 WeakPolarHBondContact O-CA 3.31Å; I55-I148 HydrophobicContact CD1-CD1 4.23Å; I55-I148 HydrophobicContact CG1-CD1 4.41Å; I55-I148 HydrophobicContact CG2-CD1 3.51Å; F59-I148 HydrophobicContact CE2-CD1 4.46Å; L122-I148 HydrophobicContact CB-CG2 4.44Å; L122-I148 HydrophobicContact CD1-CD1 3.92Å; L122-I148 HydrophobicContact CD2-CB 4.5Å; L122-I148 HydrophobicContact CD2-CD1 4.38Å; L122-I148 HydrophobicContact CD2-CG1 4.1Å; L122-I148 HydrophobicContact CD2-CG2 3.87Å; L122-I148 HydrophobicContact CG-CD1 4.02Å; L122-I148 HydrophobicContact CG-CG1 4.22Å; L122-I148 HydrophobicContact CG-CG2 3.67Å; I135-I148 HydrophobicContact CB-CG2 4.5Å; I135-I148 HydrophobicContact CD1-CD1 3.89Å; I135-I148 HydrophobicContact CG2-CB 4.48Å; I135-I148 HydrophobicContact CG2-CD1 4.42Å; I135-I148 HydrophobicContact CG2-CG2 3.8Å; R136-I148 HydrophobicContact CG-CG2 4.32Å; R136-I148 PolarHBondContact NH2-O 3.42Å; N146-I148 PolarHBondContact O-N 3.23Å
149	H	98.7	Very high	97.3	Very high	26 Å²	26	52.9 Å²	52.9	12%	0.12	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	148.9	168.5	172	83.1	0	0	0	109.9	F39 I40 A41 H82 E160	F39-H149 AromaticContact CD1-CD2 3.62Å; F39-H149 AromaticContact CD1-NE2 3.92Å; F39-H149 AromaticContact CE1-CD2 3.68Å; I40-H149 WeakPolarHBondContact CA-O 3.34Å; A41-H149 HydrophobicContact CB-CB 4.28Å; A41-H149 PolarHBondContact N-O 2.89Å; A41-H149 PolarHBondContact O-N 2.96Å; H82-H149 AromaticContact CE1-CD2 3.93Å; H82-H149 AromaticContact CE1-CE1 3.91Å; H82-H149 AromaticContact CE1-NE2 3.48Å; H82-H149 PolarHBondContact CE1-NE2 3.18Å; H82-H149 AromaticContact NE2-CD2 3.88Å; H82-H149 AromaticContact NE2-CE1 3.69Å; H82-H149 AromaticContact NE2-NE2 3.62Å; H149-E160 IonicContact CD2-OE2 3.64Å; H149-E160 IonicContact CE1-OE1 2.78Å; H149-E160 IonicContact NE2-OE1 2.74Å; H149-E160 PolarHBondContact NE2-OE1 3.34Å; H149-E160 IonicContact NE2-OE2 2.95Å; H149-E160 PolarHBondContact NE2-OE2 3.41Å
150	G	98.5	Very high	97.3	Very high	4 Å²	4	51.1 Å²	51.1	4%	0.041	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	141.7	168.8	0	0	0	0	0	110.1	F39	F39-G150 WeakPolarHBondContact O-CA 3.43Å
151	S	98.5	Very high	97.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.26	C	S	.	.			trans	-52.5	143.8	-179.7	-45.8	0	0	0	0	111.8	F39 R119 A157 E160	F39-S151 WeakPolarHBondContact CB-OG 3.41Å; F39-S151 PolarHBondContact N-OG 3.14Å; F39-S151 PolarHBondContact O-N 3.28Å; F39-S151 PolarHBondContact O-OG 2.94Å; R119-S151 WeakPolarHBondContact CD-O 3.33Å; R119-S151 WeakPolarHBondContact CG-O 3.39Å; S151-A157 WeakPolarHBondContact OG-CA 2.92Å; S151-E160 WeakPolarHBondContact CA-OE2 3.48Å; S151-E160 WeakPolarHBondContact CB-OE2 3.28Å; S151-E160 PolarHBondContact OG-OE2 2.96Å
152	D	97.5	Very high	97.3	Very high	103 Å²	103	47.6 Å²	47.6	55%	0.551	25%	0.251	S	S	*	.	S	Bend	trans	-95.5	-18.7	-175.4	65.4	-7.7	0	0	0	114.7	S156	D152-S156 WeakPolarHBondContact OD1-CB 3.28Å; D152-S156 PolarHBondContact OD1-OG 3.07Å
153	S	97.2	Very high	97.4	Very high	35 Å²	35	43.8 Å²	43.8	25%	0.245	24%	0.235	C	C	.	.	S	Bend	trans	-146.9	167.2	174.9	89	0	0	0	0	110.6	E155 S156 A157	S153-E155 VanDerWaalsContact C-N 3.28Å; S153-E155 WeakPolarHBondContact CB-OE2 3.3Å; S153-E155 PolarHBondContact O-N 2.77Å; S153-E155 PolarHBondContact OG-N 3.07Å; S153-E155 PolarHBondContact OG-OE2 2.67Å; S153-S156 PolarHBondContact O-N 2.87Å; S153-S156 PolarHBondContact OG-N 3.14Å; S153-S156 VanDerWaalsContact OG-N 3.11Å; S153-A157 WeakPolarHBondContact O-CB 3.23Å; S153-A157 PolarHBondContact O-N 3.45Å
154	V	97.3	Very high	97.6	Very high	39 Å²	39	40.2 Å²	40.2	24%	0.236	21%	0.212	C	C	.	.	H	α-helix	trans	-62.7	-39	176.4	176.5	0	0	0	0	110.5	E36 V115 A157 Q158	E36-V154 HydrophobicContact CG-CG2 4.31Å; V115-V154 HydrophobicContact CG2-CG2 4.31Å; V154-A157 WeakPolarHBondContact O-CB 3.21Å; V154-A157 PolarHBondContact O-N 2.91Å; V154-Q158 WeakPolarHBondContact O-CG 3.36Å; V154-Q158 PolarHBondContact O-N 3.13Å
155	E	96.5	Very high	97.9	Very high	121 Å²	121	39.1 Å²	39.1	57%	0.565	20%	0.197	S	C	*	.	H	α-helix	trans	-65.7	-40.6	177.3	-55.9	75.9	-166.1	0	0	111.6	S153 R159	S153-E155 VanDerWaalsContact C-N 3.28Å; S153-E155 WeakPolarHBondContact CB-OE2 3.3Å; S153-E155 PolarHBondContact O-N 2.77Å; S153-E155 PolarHBondContact OG-N 3.07Å; S153-E155 PolarHBondContact OG-OE2 2.67Å; E155-R159 WeakPolarHBondContact O-CB 3.36Å; E155-R159 PolarHBondContact O-N 3.05Å; E155-R159 PolarHBondContact O-NH1 3.43Å
156	S	96.9	Very high	97.9	Very high	11 Å²	11	41.8 Å²	41.8	8%	0.077	21%	0.207	C	C	.	.	H	α-helix	trans	-65.8	-40.3	172.3	-67.2	0	0	0	0	111.4	D152 S153 R159 E160	D152-S156 WeakPolarHBondContact OD1-CB 3.28Å; D152-S156 PolarHBondContact OD1-OG 3.07Å; S153-S156 PolarHBondContact O-N 2.87Å; S153-S156 PolarHBondContact OG-N 3.14Å; S153-S156 VanDerWaalsContact OG-N 3.11Å; S156-R159 PolarHBondContact O-N 3.02Å; S156-R159 PolarHBondContact OG-NH2 3.22Å; S156-E160 VanDerWaalsContact O-CB 3.29Å; S156-E160 WeakPolarHBondContact O-CB 3.41Å; S156-E160 WeakPolarHBondContact O-CG 3.28Å; S156-E160 PolarHBondContact O-N 3.01Å
157	A	98.2	Very high	97.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-47.5	176.5	0	0	0	0	0	112.1	H37 V115 S151 S153 V154 R159 E160 I161	H37-A157 VanDerWaalsContact O-CB 3.29Å; H37-A157 WeakPolarHBondContact O-CB 3.36Å; V115-A157 HydrophobicContact CG2-CB 3.89Å; S151-A157 WeakPolarHBondContact OG-CA 2.92Å; S153-A157 WeakPolarHBondContact O-CB 3.23Å; S153-A157 PolarHBondContact O-N 3.45Å; V154-A157 WeakPolarHBondContact O-CB 3.21Å; V154-A157 PolarHBondContact O-N 2.91Å; A157-R159 VanDerWaalsContact C-N 3.33Å; A157-R159 PolarHBondContact O-N 2.79Å; A157-E160 PolarHBondContact O-N 3.33Å; A157-I161 WeakPolarHBondContact O-CB 3.36Å; A157-I161 WeakPolarHBondContact O-CG1 3.46Å; A157-I161 PolarHBondContact O-N 3.5Å
158	Q	97.1	Very high	97.5	Very high	81 Å²	81	52.9 Å²	52.9	38%	0.379	26%	0.263	S	S	.	.	H	α-helix	trans	-54.2	-48.6	174.7	-73.1	172.5	-6.3	0	0	112.6	W31 V154 S162	W31-Q158 HydrophobicContact CD2-CG 4.24Å; W31-Q158 HydrophobicContact CE3-CB 4.38Å; W31-Q158 HydrophobicContact CE3-CG 3.48Å; W31-Q158 VanDerWaalsContact CE3-CG 3.48Å; W31-Q158 HydrophobicContact CZ3-CB 4.12Å; W31-Q158 HydrophobicContact CZ3-CG 3.7Å; V154-Q158 WeakPolarHBondContact O-CG 3.36Å; V154-Q158 PolarHBondContact O-N 3.13Å; Q158-S162 WeakPolarHBondContact O-CB 3.03Å; Q158-S162 PolarHBondContact O-N 2.65Å; Q158-S162 VanDerWaalsContact O-N 3.07Å; Q158-S162 PolarHBondContact O-OG 3.33Å
159	R	97.8	Very high	97.5	Very high	78 Å²	78	56 Å²	56	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-65.8	-47	179.4	-175.8	175.4	58.3	-99.9	4.7	112.4	D85 E155 S156 A157 S162 L163	D85-R159 IonicContact OD2-NH2 2.72Å; E155-R159 WeakPolarHBondContact O-CB 3.36Å; E155-R159 PolarHBondContact O-N 3.05Å; E155-R159 PolarHBondContact O-NH1 3.43Å; S156-R159 PolarHBondContact O-N 3.02Å; S156-R159 PolarHBondContact OG-NH2 3.22Å; A157-R159 VanDerWaalsContact C-N 3.33Å; A157-R159 PolarHBondContact O-N 2.79Å; R159-S162 PolarHBondContact O-N 3.3Å; R159-L163 WeakPolarHBondContact O-CB 3.17Å; R159-L163 PolarHBondContact O-N 3.33Å
160	E	98.6	Very high	97.4	Very high	16 Å²	16	56.1 Å²	56.1	8%	0.075	28%	0.278	C	S	.	.	H	α-helix	trans	-64.5	-46.5	-179.8	-71.9	173.1	-176	0	0	111.2	F39 H82 H149 S151 S156 A157 S162 L163 W164	F39-E160 HydrophobicContact CB-CB 3.8Å; F39-E160 HydrophobicContact CD1-CB 3.99Å; F39-E160 VanDerWaalsContact CD1-OE2 3.32Å; F39-E160 WeakPolarHBondContact CD1-OE2 3.36Å; F39-E160 HydrophobicContact CG-CB 3.95Å; H82-E160 IonicContact CE1-OE1 3.44Å; H149-E160 IonicContact CD2-OE2 3.64Å; H149-E160 IonicContact CE1-OE1 2.78Å; H149-E160 IonicContact NE2-OE1 2.74Å; H149-E160 PolarHBondContact NE2-OE1 3.34Å; H149-E160 IonicContact NE2-OE2 2.95Å; H149-E160 PolarHBondContact NE2-OE2 3.41Å; S151-E160 WeakPolarHBondContact CA-OE2 3.48Å; S151-E160 WeakPolarHBondContact CB-OE2 3.28Å; S151-E160 PolarHBondContact OG-OE2 2.96Å; S156-E160 VanDerWaalsContact O-CB 3.29Å; S156-E160 WeakPolarHBondContact O-CB 3.41Å; S156-E160 WeakPolarHBondContact O-CG 3.28Å; S156-E160 PolarHBondContact O-N 3.01Å; A157-E160 PolarHBondContact O-N 3.33Å; E160-S162 VanDerWaalsContact C-N 3.32Å; E160-S162 PolarHBondContact O-N 2.66Å; E160-L163 WeakPolarHBondContact O-CB 3.48Å; E160-L163 PolarHBondContact O-N 2.96Å; E160-L163 VanDerWaalsContact O-N 3.15Å; E160-W164 WeakPolarHBondContact O-CB 3.32Å; E160-W164 PolarHBondContact O-N 2.75Å
161	I	98.6	Very high	97.4	Very high	3 Å²	3	61.4 Å²	61.4	2%	0.015	30%	0.302	C	S	.	.	H	α-helix	trans	-61.3	-44.2	178.3	-67	168.2	0	0	0	110.3	W31 H37 F39 V108 A157 L163 W164 F165 L170	W31-I161 HydrophobicContact CE3-CD1 4.15Å; W31-I161 HydrophobicContact CH2-CB 3.55Å; W31-I161 HydrophobicContact CH2-CD1 3.5Å; W31-I161 HydrophobicContact CH2-CG1 4.06Å; W31-I161 HydrophobicContact CH2-CG2 3.49Å; W31-I161 VanDerWaalsContact CH2-CG2 3.49Å; W31-I161 HydrophobicContact CZ2-CG2 4.22Å; W31-I161 HydrophobicContact CZ3-CB 3.95Å; W31-I161 HydrophobicContact CZ3-CD1 3.24Å; W31-I161 HydrophobicContact CZ3-CG1 4.06Å; W31-I161 HydrophobicContact CZ3-CG2 4.34Å; H37-I161 HydrophobicContact CB-CD1 3.71Å; F39-I161 HydrophobicContact CB-CD1 4.48Å; F39-I161 HydrophobicContact CB-CG1 3.75Å; V108-I161 HydrophobicContact CG1-CD1 3.58Å; V108-I161 HydrophobicContact CG1-CG1 4.12Å; V108-I161 HydrophobicContact CG1-CG2 4.46Å; V108-I161 HydrophobicContact CG2-CD1 4.39Å; V108-I161 HydrophobicContact CG2-CG1 4Å; V108-I161 HydrophobicContact CG2-CG2 4.06Å; A157-I161 WeakPolarHBondContact O-CB 3.36Å; A157-I161 WeakPolarHBondContact O-CG1 3.46Å; A157-I161 PolarHBondContact O-N 3.5Å; I161-L163 VanDerWaalsContact C-N 3.27Å; I161-L163 PolarHBondContact O-N 2.98Å; I161-W164 PolarHBondContact O-N 3.11Å; I161-F165 PolarHBondContact O-N 2.95Å; I161-L170 HydrophobicContact CG2-CD1 4Å; I161-L170 HydrophobicContact CG2-CD2 4.48Å
162	S	97.9	Very high	97.1	Very high	91 Å²	91	66.2 Å²	66.2	64%	0.636	34%	0.335	S	S	*	.	H	α-helix	trans	-64.4	-31.5	177.6	-55.4	0	0	0	0	113.1	Q158 R159 E160	Q158-S162 WeakPolarHBondContact O-CB 3.03Å; Q158-S162 PolarHBondContact O-N 2.65Å; Q158-S162 VanDerWaalsContact O-N 3.07Å; Q158-S162 PolarHBondContact O-OG 3.33Å; R159-S162 PolarHBondContact O-N 3.3Å; E160-S162 VanDerWaalsContact C-N 3.32Å; E160-S162 PolarHBondContact O-N 2.66Å
163	L	98.4	Very high	97	Very high	56 Å²	56	66.7 Å²	66.7	29%	0.293	33%	0.329	S	S	.	.	H	α-helix	trans	-73.5	-39.5	176.6	-179.5	64.6	0	0	0	111.8	L78 E81 H82 R159 E160 I161	L78-L163 HydrophobicContact CD1-CD1 3.77Å; L78-L163 HydrophobicContact CD1-CD2 4.27Å; L78-L163 HydrophobicContact CD1-CG 3.69Å; E81-L163 HydrophobicContact CB-CD1 4.3Å; E81-L163 HydrophobicContact CB-CD2 4.26Å; E81-L163 HydrophobicContact CG-CD1 3.76Å; E81-L163 HydrophobicContact CG-CD2 4.01Å; H82-L163 HydrophobicContact CB-CD2 3.76Å; R159-L163 WeakPolarHBondContact O-CB 3.17Å; R159-L163 PolarHBondContact O-N 3.33Å; E160-L163 WeakPolarHBondContact O-CB 3.48Å; E160-L163 PolarHBondContact O-N 2.96Å; E160-L163 VanDerWaalsContact O-N 3.15Å; I161-L163 VanDerWaalsContact C-N 3.27Å; I161-L163 PolarHBondContact O-N 2.98Å
164	W	98.7	Very high	96.7	Very high	11 Å²	11	73.6 Å²	73.6	4%	0.042	36%	0.357	C	S	.	.	H	α-helix	trans	-93.2	-27.4	-172.2	-76.9	83.7	0	0	0	113.9	F39 K70 V72 A74 L78 L79 H82 I104 A106 E160 I161	F39-W164 HydrophobicContact CD2-CB 4.18Å; F39-W164 HydrophobicContact CD2-CG 4.24Å; F39-W164 HydrophobicContact CE1-CD2 4.47Å; F39-W164 HydrophobicContact CE1-CG 4.44Å; F39-W164 AromaticContact CE1-NE1 3.92Å; F39-W164 HydrophobicContact CE2-CB 3.56Å; F39-W164 AromaticContact CE2-CD1 3.73Å; F39-W164 AromaticContact CE2-CD2 3.72Å; F39-W164 HydrophobicContact CE2-CD2 3.72Å; F39-W164 HydrophobicContact CE2-CE3 4.28Å; F39-W164 AromaticContact CE2-CG 3.38Å; F39-W164 HydrophobicContact CE2-CG 3.38Å; F39-W164 HydrophobicContact CZ-CB 4.21Å; F39-W164 AromaticContact CZ-CD1 3.59Å; F39-W164 AromaticContact CZ-CD2 3.44Å; F39-W164 HydrophobicContact CZ-CD2 3.44Å; F39-W164 VanDerWaalsContact CZ-CD2 3.44Å; F39-W164 AromaticContact CZ-CE2 3.52Å; F39-W164 HydrophobicContact CZ-CE3 4.05Å; F39-W164 AromaticContact CZ-CG 3.51Å; F39-W164 HydrophobicContact CZ-CG 3.51Å; F39-W164 HydrophobicContact CZ-CZ2 4.17Å; F39-W164 AromaticContact CZ-NE1 3.58Å; K70-W164 WeakPolarHBondContact CE-O 3.46Å; K70-W164 PolarHBondContact NZ-O 2.92Å; V72-W164 HydrophobicContact CG2-CE3 4.43Å; V72-W164 HydrophobicContact CG2-CZ3 3.87Å; A74-W164 HydrophobicContact CB-CH2 3.73Å; A74-W164 HydrophobicContact CB-CZ3 4.08Å; L78-W164 HydrophobicContact CD2-CD2 4.3Å; L78-W164 HydrophobicContact CD2-CE3 4.1Å; L78-W164 HydrophobicContact CD2-CH2 4.21Å; L78-W164 HydrophobicContact CD2-CZ2 4.41Å; L78-W164 HydrophobicContact CD2-CZ3 4.05Å; L79-W164 HydrophobicContact CD2-CH2 4.12Å; L79-W164 HydrophobicContact CD2-CZ2 4.02Å; H82-W164 AromaticContact CE1-NE1 3.77Å; H82-W164 AromaticContact CG-NE1 3.59Å; H82-W164 AromaticContact ND1-CD1 3.99Å; H82-W164 AromaticContact ND1-NE1 3.15Å; H82-W164 PolarHBondContact ND1-NE1 3.01Å; H82-W164 VanDerWaalsContact ND1-NE1 3.15Å; I104-W164 HydrophobicContact CD1-CH2 4.12Å; I104-W164 HydrophobicContact CG2-CH2 4.48Å; I104-W164 HydrophobicContact CG2-CZ3 4.44Å; A106-W164 HydrophobicContact CB-CE3 3.85Å; A106-W164 HydrophobicContact CB-CZ3 4.24Å; E160-W164 WeakPolarHBondContact O-CB 3.32Å; E160-W164 PolarHBondContact O-N 2.75Å; I161-W164 PolarHBondContact O-N 3.11Å
165	F	98.5	Very high	96.5	Very high	13 Å²	13	73.3 Å²	73.3	6%	0.057	35%	0.354	C	S	.	.			trans	-127.8	136.8	-173.7	-69.7	-94.1	0	0	0	111.8	F39 K70 A106 V108 I161 E169 L170	F39-F165 HydrophobicContact CD2-CE2 4.09Å; F39-F165 AromaticContact CE2-CE2 3.97Å; F39-F165 HydrophobicContact CE2-CE2 3.97Å; K70-F165 HydrophobicContact CD-CD1 4.44Å; K70-F165 HydrophobicContact CD-CE1 4.04Å; K70-F165 HydrophobicContact CG-CE1 3.86Å; K70-F165 HydrophobicContact CG-CZ 4.06Å; A106-F165 HydrophobicContact CB-CE2 4.04Å; A106-F165 HydrophobicContact CB-CZ 3.97Å; V108-F165 HydrophobicContact CG2-CD2 3.55Å; V108-F165 HydrophobicContact CG2-CE2 3.49Å; V108-F165 VanDerWaalsContact CG2-CE2 3.49Å; V108-F165 HydrophobicContact CG2-CG 4.12Å; V108-F165 HydrophobicContact CG2-CZ 4Å; I161-F165 PolarHBondContact O-N 2.95Å; F165-E169 WeakPolarHBondContact CA-OE2 3.41Å; F165-E169 HydrophobicContact CB-CB 4.49Å; F165-E169 HydrophobicContact CD1-CB 3.86Å; F165-L170 HydrophobicContact CB-CD2 3.95Å; F165-L170 HydrophobicContact CB-CG 4.4Å; F165-L170 HydrophobicContact CD1-CD2 4.13Å; F165-L170 HydrophobicContact CG-CD2 4.05Å
166	R	97.3	Very high	96.3	Very high	185 Å²	185	72.1 Å²	72.1	70%	0.698	36%	0.359	S	S	*	.			trans	-77	156.6	163.1	-60.1	176.8	-175.9	174.6	1.4	109.4	N168 E169	R166-N168 VanDerWaalsContact CB-OD1 3.28Å; R166-N168 WeakPolarHBondContact CB-OD1 3.3Å; R166-N168 PolarHBondContact O-N 2.89Å; R166-E169 HydrophobicContact CB-CG 4.19Å; R166-E169 PolarHBondContact N-OE2 2.85Å; R166-E169 WeakPolarHBondContact O-CB 3.43Å; R166-E169 PolarHBondContact O-N 3.15Å
167	Q	92.3	Very high	96.1	Very high	120 Å²	120	73.7 Å²	73.7	56%	0.561	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-57.2	-37.1	-178.5	-160.8	63.3	13.4	0	0	113.4	E169 L170	Q167-E169 PolarHBondContact O-N 3.35Å; Q167-L170 PolarHBondContact O-N 3.08Å
168	N	95	Very high	95.8	Very high	118 Å²	118	74.5 Å²	74.5	63%	0.631	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-75.9	-7.2	178.5	69.9	-23.4	0	0	0	114.3	R166	R166-N168 VanDerWaalsContact CB-OD1 3.28Å; R166-N168 WeakPolarHBondContact CB-OD1 3.3Å; R166-N168 PolarHBondContact O-N 2.89Å
169	E	97.8	Very high	95.6	Very high	64 Å²	64	76.8 Å²	76.8	30%	0.299	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-86.7	-10.7	171.6	-61.7	-179.5	100.3	0	0	111.9	K70 F165 R166 Q167	K70-E169 WeakPolarHBondContact CD-OE1 3.25Å; K70-E169 VanDerWaalsContact NZ-CD 3.25Å; K70-E169 IonicContact NZ-OE1 3.59Å; K70-E169 PolarHBondContact NZ-OE1 2.99Å; K70-E169 IonicContact NZ-OE2 3.03Å; K70-E169 PolarHBondContact NZ-OE2 3.05Å; F165-E169 WeakPolarHBondContact CA-OE2 3.41Å; F165-E169 HydrophobicContact CB-CB 4.49Å; F165-E169 HydrophobicContact CD1-CB 3.86Å; R166-E169 HydrophobicContact CB-CG 4.19Å; R166-E169 PolarHBondContact N-OE2 2.85Å; R166-E169 WeakPolarHBondContact O-CB 3.43Å; R166-E169 PolarHBondContact O-N 3.15Å; Q167-E169 PolarHBondContact O-N 3.35Å
170	L	97.8	Very high	95.5	Very high	29 Å²	29	83.1 Å²	83.1	15%	0.152	41%	0.413	C	S	.	.	S	Bend	trans	-96.2	129.2	176.9	-55.5	-178	0	0	0	110.5	V67 V108 I161 F165 Q167	V67-L170 CarbonylContact O-C 3.57Å; V67-L170 WeakPolarHBondContact O-CA 3.36Å; V108-L170 HydrophobicContact CB-CD2 4.16Å; V108-L170 HydrophobicContact CG1-CD2 4.44Å; V108-L170 HydrophobicContact CG2-CD2 3.81Å; I161-L170 HydrophobicContact CG2-CD1 4Å; I161-L170 HydrophobicContact CG2-CD2 4.48Å; F165-L170 HydrophobicContact CB-CD2 3.95Å; F165-L170 HydrophobicContact CB-CG 4.4Å; F165-L170 HydrophobicContact CD1-CD2 4.13Å; F165-L170 HydrophobicContact CG-CD2 4.05Å; Q167-L170 PolarHBondContact O-N 3.08Å
171	Q	96.8	Very high	95.4	Very high	115 Å²	115	85.6 Å²	85.6	54%	0.537	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-101.6	125.9	-176.7	-60	-57	-51.8	0	0	110.7	V67	V67-Q171 PolarHBondContact O-N 2.99Å
172	C	93.4	Very high	95.2	Very high	101 Å²	101	88.7 Å²	88.7	68%	0.682	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-97.3	116.6	166.6	-174.2	0	0	0	0	108.6	I25	I25-C172 HydrophobicContact CD1-CB 4.36Å
173	W	94.8	Very high	94.6	Very high	114 Å²	114	97.2 Å²	97.2	43%	0.432	47%	0.468	S	S	.	.			trans	-141.3	152	-178.7	63.6	-83.7	0	0	0	111.2	R65 L66 D175	R65-W173 HydrophobicContact CG-CH2 4.16Å; R65-W173 HydrophobicContact CG-CZ2 3.38Å; R65-W173 PolarHBondContact NH1-O 3Å; L66-W173 PolarHBondContact O-NE1 3.21Å; W173-D175 HydrophobicContact CH2-CB 4.43Å; W173-D175 HydrophobicContact CZ3-CB 4.15Å; W173-D175 PolarHBondContact O-N 3.49Å
174	E	92	Very high	94.4	Very high	180 Å²	180	99.3 Å²	99.3	84%	0.841	48%	0.477	S	S	*	.			trans	-78.7	118.4	-179.4	-175.2	176.5	-175.2	0	0	110.4	S176	E174-S176 PolarHBondContact O-N 3.02Å
175	D	92	Very high	94.2	Very high	32 Å²	32	103.9 Å²	103.9	17%	0.171	50%	0.5	C	S	.	.			trans	-87.4	99.2	176.5	-170.7	-13.7	0	0	0	110.2	W173 S177 G178	W173-D175 HydrophobicContact CH2-CB 4.43Å; W173-D175 HydrophobicContact CZ3-CB 4.15Å; W173-D175 PolarHBondContact O-N 3.49Å; D175-S177 PolarHBondContact O-N 3.39Å; D175-S177 WeakPolarHBondContact OD1-CB 3.3Å; D175-S177 PolarHBondContact OD1-N 3.22Å; D175-S177 PolarHBondContact OD1-OG 3Å; D175-S177 PolarHBondContact OD2-OG 3.12Å; D175-G178 PolarHBondContact O-N 3.07Å
176	S	92.7	Very high	94	Very high	96 Å²	96	109 Å²	109	67%	0.671	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-21.3	177.1	63.4	0	0	0	0	113.9	E174 H179	E174-S176 PolarHBondContact O-N 3.02Å; S176-H179 PolarHBondContact O-CE1 3.18Å; S176-H179 PolarHBondContact O-ND1 3.36Å
177	S	92.9	Very high	93.8	Very high	45 Å²	45	104.5 Å²	104.5	32%	0.315	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-10	178.7	72.6	0	0	0	0	113.8	D175 H179 W180 I181	D175-S177 PolarHBondContact O-N 3.39Å; D175-S177 WeakPolarHBondContact OD1-CB 3.3Å; D175-S177 PolarHBondContact OD1-N 3.22Å; D175-S177 PolarHBondContact OD1-OG 3Å; D175-S177 PolarHBondContact OD2-OG 3.12Å; S177-H179 VanDerWaalsContact C-N 3.26Å; S177-H179 PolarHBondContact O-N 3.11Å; S177-H179 VanDerWaalsContact O-N 3.14Å; S177-W180 WeakPolarHBondContact O-CB 3.4Å; S177-W180 PolarHBondContact O-N 3.38Å; S177-I181 PolarHBondContact O-N 3.19Å; S177-I181 WeakPolarHBondContact OG-CD1 3.33Å
178	G	90.7	Very high	93.9	Very high	16 Å²	16	103.6 Å²	103.6	17%	0.165	51%	0.511	C	S	.	.	H	α-helix	trans	-55.6	-36.9	-172.8	0	0	0	0	0	114.2	D175 W180 I181 Y182	D175-G178 PolarHBondContact O-N 3.07Å; G178-W180 PolarHBondContact O-N 2.89Å; G178-I181 PolarHBondContact O-N 2.84Å; G178-I181 VanDerWaalsContact O-N 3.09Å; G178-Y182 PolarHBondContact O-N 3.18Å
179	H	94	Very high	93.8	Very high	129 Å²	129	102.6 Å²	102.6	60%	0.597	50%	0.503	S	S	*	.	H	α-helix	trans	-71.7	-11.1	178.6	67.8	-88.2	0	0	0	114.7	S176 S177	S176-H179 PolarHBondContact O-CE1 3.18Å; S176-H179 PolarHBondContact O-ND1 3.36Å; S177-H179 VanDerWaalsContact C-N 3.26Å; S177-H179 PolarHBondContact O-N 3.11Å; S177-H179 VanDerWaalsContact O-N 3.14Å
180	W	96.4	Very high	93.5	Very high	211 Å²	211	105.4 Å²	105.4	80%	0.799	52%	0.517	S	S	*	.	H	α-helix	trans	-96.9	-15.1	170.2	-61.4	108.5	0	0	0	112.6	S177 G178	S177-W180 WeakPolarHBondContact O-CB 3.4Å; S177-W180 PolarHBondContact O-N 3.38Å; G178-W180 PolarHBondContact O-N 2.89Å
181	I	95.9	Very high	93.2	Very high	68 Å²	68	111.2 Å²	111.2	35%	0.349	55%	0.546	S	S	.	.	H	α-helix	trans	-98.4	-38	-175.7	-63.7	169.1	0	0	0	111.1	S177 G178	S177-I181 PolarHBondContact O-N 3.19Å; S177-I181 WeakPolarHBondContact OG-CD1 3.33Å; G178-I181 PolarHBondContact O-N 2.84Å; G178-I181 VanDerWaalsContact O-N 3.09Å
182	Y	93.1	Very high	92.9	Very high	68 Å²	68	110.9 Å²	110.9	27%	0.267	55%	0.546	S	S	.	.			trans	-117.2	146.8	-177.2	-54.3	-67.4	0	0	0	111	V34 G111 L112 G178	V34-Y182 HydrophobicContact CG1-CD1 3.78Å; V34-Y182 HydrophobicContact CG1-CD2 4.23Å; V34-Y182 HydrophobicContact CG1-CE1 3.92Å; V34-Y182 HydrophobicContact CG1-CE2 4.36Å; V34-Y182 HydrophobicContact CG1-CG 3.94Å; G111-Y182 WeakPolarHBondContact CA-OH 3.25Å; L112-Y182 HydrophobicContact CB-CD1 4.44Å; L112-Y182 HydrophobicContact CB-CE1 3.75Å; L112-Y182 PolarHBondContact N-OH 3.05Å; G178-Y182 PolarHBondContact O-N 3.18Å
183	E	86.4	Confident	92.8	Very high	271 Å²	271	111.8 Å²	111.8	100%	1.266	53%	0.534	S	S	*	.			trans	-83.2	0	174.3	-66.4	-177.5	175.9	0	0	112.7

Retrieved 183 of 183 residues in 35.8 ms (Link to these results)

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